smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)[C@H]1CCCN(c2nc(Cl)ncc2[N+](=O)[O-])C1 ZINC000234274787 721885615 /nfs/dbraw/zinc/88/56/15/721885615.db2.gz HRYDTFIAKKIQFX-QMMMGPOBSA-N 1 0 285.735 1.569 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2cccc([N+](=O)[O-])n2)C1 ZINC001165036948 721887838 /nfs/dbraw/zinc/88/78/38/721887838.db2.gz XKIGYYBJGYXBBB-JTQLQIEISA-N 1 0 250.302 1.520 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(CCO)CCCCC1 ZINC000878267789 1166165239 /nfs/dbraw/zinc/16/52/39/1166165239.db2.gz HSCVNMKCJQJVJP-UHFFFAOYSA-N 1 0 296.371 1.775 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@H]([NH3+])C2)c1F ZINC001173180299 912280877 /nfs/dbraw/zinc/28/08/77/912280877.db2.gz UUOXFALZJTZZOR-UWVGGRQHSA-N 1 0 297.330 1.707 20 5 CDBDRO CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173220170 912307566 /nfs/dbraw/zinc/30/75/66/912307566.db2.gz VEXPMFORKVHLLA-LERXQTSPSA-N 1 0 291.351 1.783 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC(=O)N1C ZINC001173234915 912332790 /nfs/dbraw/zinc/33/27/90/912332790.db2.gz QSDQDDVRCUHYSI-FZMZJTMJSA-N 1 0 291.351 1.736 20 5 CDBDRO CC(C)(CCC(=O)N[C@@H]1C[NH+]2CCC1CC2)[N+](=O)[O-] ZINC001347289763 895398786 /nfs/dbraw/zinc/39/87/86/895398786.db2.gz BSLGRGQDPJDAJY-LLVKDONJSA-N 1 0 269.345 1.032 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2COC[C@@H]2C)cc1[N+](=O)[O-] ZINC000699804837 914290575 /nfs/dbraw/zinc/29/05/75/914290575.db2.gz JHBDXMBENOUZIK-ONGXEEELSA-N 1 0 266.297 1.728 20 5 CDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1c(C)cccc1[N+](=O)[O-] ZINC001167897035 901711548 /nfs/dbraw/zinc/71/15/48/901711548.db2.gz CKUYTTLVLOXHHF-SNVBAGLBSA-N 1 0 281.312 1.596 20 5 CDBDRO CC(C)N1CC(Nc2ccc3nc[nH]c3c2[N+](=O)[O-])C1 ZINC001168316004 908998340 /nfs/dbraw/zinc/99/83/40/908998340.db2.gz SFOZREABBXSTAJ-UHFFFAOYSA-N 1 0 275.312 1.976 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1C[C@@H](O)C1)CC2 ZINC001172898158 912038086 /nfs/dbraw/zinc/03/80/86/912038086.db2.gz GYGQGQKFLGJMPB-NFAWXSAZSA-N 1 0 276.336 1.955 20 5 CDBDRO O=C1C[C@@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CN1 ZINC001172913862 912052761 /nfs/dbraw/zinc/05/27/61/912052761.db2.gz ZSZFLUHXMRULER-CHWSQXEVSA-N 1 0 289.335 1.320 20 5 CDBDRO NC(=[NH2+])c1nccn1-c1cc([N+](=O)[O-])ccc1Cl ZINC001168415247 912103549 /nfs/dbraw/zinc/10/35/49/912103549.db2.gz CZPPGMVDAUSWNE-UHFFFAOYSA-N 1 0 265.660 1.718 20 5 CDBDRO C=CC(=O)NCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254539343 936406349 /nfs/dbraw/zinc/40/63/49/936406349.db2.gz HHEAQNRORQMOHF-NSHDSACASA-N 1 0 277.324 1.418 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923279095 923697278 /nfs/dbraw/zinc/69/72/78/923697278.db2.gz DXCCBIVOJIYMRK-GLQYFDAESA-N 1 0 293.367 1.830 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1ccc2nsnc2c1[N+](=O)[O-] ZINC001163776840 924204279 /nfs/dbraw/zinc/20/42/79/924204279.db2.gz MQFRVIBQZNLRPS-ZETCQYMHSA-N 1 0 281.341 1.962 20 5 CDBDRO O=[N+]([O-])c1cccc(NCC[C@H]2CCOC23C[NH2+]C3)n1 ZINC001155468098 926852981 /nfs/dbraw/zinc/85/29/81/926852981.db2.gz AFHXNPRDTZTIBP-JTQLQIEISA-N 1 0 278.312 1.170 20 5 CDBDRO COc1c(F)cc(-n2cc(CC[NH3+])cn2)cc1[N+](=O)[O-] ZINC001168949346 927555463 /nfs/dbraw/zinc/55/54/63/927555463.db2.gz JPGFOFPSYOMYAC-UHFFFAOYSA-N 1 0 280.259 1.429 20 5 CDBDRO COc1ccc(C(=O)C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168955826 927577258 /nfs/dbraw/zinc/57/72/58/927577258.db2.gz CORJMOIMJZEZKI-WCQYABFASA-N 1 0 292.335 1.913 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)C1 ZINC001168959970 927579562 /nfs/dbraw/zinc/57/95/62/927579562.db2.gz YJWJQLGORPJTLA-CHWSQXEVSA-N 1 0 292.335 1.993 20 5 CDBDRO Cc1cnc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)nc1 ZINC001168963957 927586378 /nfs/dbraw/zinc/58/63/78/927586378.db2.gz QVTNTPJXQHCFFD-WDEREUQCSA-N 1 0 250.302 1.320 20 5 CDBDRO Cc1cccn2c(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)nnc12 ZINC001168964791 927587102 /nfs/dbraw/zinc/58/71/02/927587102.db2.gz WGBVVWRWFQYYQU-RYUDHWBXSA-N 1 0 289.339 1.573 20 5 CDBDRO CN1CCCC[C@@H]1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168966204 927588902 /nfs/dbraw/zinc/58/89/02/927588902.db2.gz HAKAMDHRCNBWQO-RWMBFGLXSA-N 1 0 255.362 1.506 20 5 CDBDRO CCN1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168968145 927592218 /nfs/dbraw/zinc/59/22/18/927592218.db2.gz WQDHTECYIXUZBT-AAEUAGOBSA-N 1 0 255.362 1.506 20 5 CDBDRO CC(C)Oc1nccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168994567 927600708 /nfs/dbraw/zinc/60/07/08/927600708.db2.gz PUQHJKLRSZNKAU-VXGBXAGGSA-N 1 0 294.355 1.799 20 5 CDBDRO O=C(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)Nc1ccc(F)cc1 ZINC001168995035 927600854 /nfs/dbraw/zinc/60/08/54/927600854.db2.gz RBMBVUJAPRGCEN-MFKMUULPSA-N 1 0 295.314 1.799 20 5 CDBDRO CC(C)CN1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168996010 927602604 /nfs/dbraw/zinc/60/26/04/927602604.db2.gz TZVQSASFVHENIF-IHRRRGAJSA-N 1 0 269.389 1.752 20 5 CDBDRO CC(C)(C)C(=O)N1CC[C@@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168995706 927603096 /nfs/dbraw/zinc/60/30/96/927603096.db2.gz SQLNDHHHRFGILE-FRRDWIJNSA-N 1 0 297.399 1.668 20 5 CDBDRO C[C@]1(O)CCCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169006832 927612304 /nfs/dbraw/zinc/61/23/04/927612304.db2.gz JNOKVXAQOPFIHC-UPJWGTAASA-N 1 0 256.346 1.669 20 5 CDBDRO COCC[NH+](CCOC)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007368 927612504 /nfs/dbraw/zinc/61/25/04/927612504.db2.gz MXASERJDNUDONB-VXGBXAGGSA-N 1 0 260.334 1.027 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(N3CCOCC3)CC2)C1 ZINC001169008729 927613437 /nfs/dbraw/zinc/61/34/37/927613437.db2.gz UJXLOIZOOJXWAZ-HIFRSBDPSA-N 1 0 297.399 1.228 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@](O)(C(F)(F)F)C2)C1 ZINC001169013065 927620053 /nfs/dbraw/zinc/62/00/53/927620053.db2.gz TWYYJIAROFHHRT-KXUCPTDWSA-N 1 0 282.262 1.431 20 5 CDBDRO CCOC(=O)CC[N@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038198 927647380 /nfs/dbraw/zinc/64/73/80/927647380.db2.gz WRNUJWFGQXMIKI-GHMZBOCLSA-N 1 0 258.318 1.317 20 5 CDBDRO COC(=O)[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169038313 927650622 /nfs/dbraw/zinc/65/06/22/927650622.db2.gz YAGNFTJTOOZEMA-LOWDOPEQSA-N 1 0 284.356 1.563 20 5 CDBDRO COCc1noc2c1C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169020127 927660592 /nfs/dbraw/zinc/66/05/92/927660592.db2.gz INODTMPDXNBRAF-WDEREUQCSA-N 1 0 295.339 1.625 20 5 CDBDRO COC[C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788822023 929601725 /nfs/dbraw/zinc/60/17/25/929601725.db2.gz HXJHEMWVSVMUKX-DTWKUNHWSA-N 1 0 253.302 1.863 20 5 CDBDRO O=[N+]([O-])c1c(N[C@H]2C[NH2+]C[C@@H]2CO)ccc2ncccc21 ZINC001170779993 929962883 /nfs/dbraw/zinc/96/28/83/929962883.db2.gz FDCWQSISJNCXBQ-RNCFNFMXSA-N 1 0 288.307 1.135 20 5 CDBDRO CSCC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001154417299 937542215 /nfs/dbraw/zinc/54/22/15/937542215.db2.gz CAOPYPWOZUMZRD-UHFFFAOYSA-N 1 0 297.380 1.554 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1-n1cc2ccc(C[NH3+])cc2n1 ZINC001171314901 932619526 /nfs/dbraw/zinc/61/95/26/932619526.db2.gz IOARBVZEIJXJCL-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO [NH3+]Cc1ccnn1-c1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001155124938 937638209 /nfs/dbraw/zinc/63/82/09/937638209.db2.gz GNMBQIPYTYKOAN-UHFFFAOYSA-N 1 0 288.094 1.941 20 5 CDBDRO Nc1ccc(NC(=O)C23CCC[NH+]2CCC3)cc1[N+](=O)[O-] ZINC001118706928 937657458 /nfs/dbraw/zinc/65/74/58/937657458.db2.gz UOHVICIIAMUAJT-UHFFFAOYSA-N 1 0 290.323 1.744 20 5 CDBDRO Nc1cc(N[C@H]2C[NH+]3CCC2CC3)ncc1[N+](=O)[O-] ZINC001155667140 937662010 /nfs/dbraw/zinc/66/20/10/937662010.db2.gz BYAKSJUPQFZDFA-JTQLQIEISA-N 1 0 263.301 1.078 20 5 CDBDRO O=[N+]([O-])c1cccc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)n1 ZINC001155824005 937676953 /nfs/dbraw/zinc/67/69/53/937676953.db2.gz GUUADWVGMSZTNQ-SMDDNHRTSA-N 1 0 292.339 1.703 20 5 CDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001122108641 937905888 /nfs/dbraw/zinc/90/58/88/937905888.db2.gz RRVRSYSWAJVVPJ-HYKPAMGXSA-N 1 0 289.335 1.552 20 5 CDBDRO [NH3+][C@H]1C[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001122579834 937943597 /nfs/dbraw/zinc/94/35/97/937943597.db2.gz WESPXIRULACMEF-LJGSYFOKSA-N 1 0 269.688 1.468 20 5 CDBDRO CN(c1cc([N+](=O)[O-])c2cc[nH]c2n1)C1CC[NH2+]CC1 ZINC001156176297 938328770 /nfs/dbraw/zinc/32/87/70/938328770.db2.gz XGQVXUOYWYMXBJ-UHFFFAOYSA-N 1 0 275.312 1.659 20 5 CDBDRO [NH3+]Cc1cnc2c(ccn2-c2cc([N+](=O)[O-])ccn2)c1 ZINC001156593647 938390517 /nfs/dbraw/zinc/39/05/17/938390517.db2.gz LERCOUIBNMBPAN-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO Cc1nc(N2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001157260006 938470332 /nfs/dbraw/zinc/47/03/32/938470332.db2.gz GVWHTVALOWNLJO-DGCLKSJQSA-N 1 0 276.340 1.829 20 5 CDBDRO Cc1nc(-n2ccc3c2CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001157441867 938492173 /nfs/dbraw/zinc/49/21/73/938492173.db2.gz GDPIKCLVWNRRBY-UHFFFAOYSA-N 1 0 258.281 1.735 20 5 CDBDRO Cc1nc(N2CCCC[C@@]23CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001157476131 938499464 /nfs/dbraw/zinc/49/94/64/938499464.db2.gz SFRBNCCTYBMCDP-AWEZNQCLSA-N 1 0 291.355 1.806 20 5 CDBDRO Cc1nc(N[C@H]2CCCC[C@@H]2[NH+](C)C)ncc1[N+](=O)[O-] ZINC001157803140 938548135 /nfs/dbraw/zinc/54/81/35/938548135.db2.gz OJJGHAIJQVKFHR-QWRGUYRKSA-N 1 0 279.344 1.978 20 5 CDBDRO C[NH2+]CCN(c1ncc(F)cc1[N+](=O)[O-])C(C)(C)C ZINC001157825979 938552353 /nfs/dbraw/zinc/55/23/53/938552353.db2.gz XXQKFDPZMSXDFE-UHFFFAOYSA-N 1 0 270.308 1.953 20 5 CDBDRO Cc1cnc(C[NH3+])n1-c1ncc(F)cc1[N+](=O)[O-] ZINC001158163354 938588706 /nfs/dbraw/zinc/58/87/06/938588706.db2.gz SOYNACLOLISDJN-UHFFFAOYSA-N 1 0 251.221 1.082 20 5 CDBDRO C[C@@H]1CN(c2nc(Cl)ncc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001158174016 938590548 /nfs/dbraw/zinc/59/05/48/938590548.db2.gz XYJRPBYLZRTORR-KNVOCYPGSA-N 1 0 271.708 1.225 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[N@@H+]4CC[C@H]4C3)c21 ZINC001158430322 938624108 /nfs/dbraw/zinc/62/41/08/938624108.db2.gz DEABCDRJIGGWAM-JTQLQIEISA-N 1 0 285.307 1.432 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2CC[N@@H+](C(C)C)[C@@H](C)C2)n1 ZINC001158494465 938630055 /nfs/dbraw/zinc/63/00/55/938630055.db2.gz JZVGGIJOXHOHBR-JTQLQIEISA-N 1 0 279.344 1.612 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NCC[C@H]2CCC[NH2+]2)n1 ZINC001158628682 938643713 /nfs/dbraw/zinc/64/37/13/938643713.db2.gz JKOLGIHGGKYSEB-MRVPVSSYSA-N 1 0 285.735 1.901 20 5 CDBDRO O=[N+]([O-])c1ccc2ccnc(NC[C@H]3COCC[NH2+]3)c2c1 ZINC001159043297 938696612 /nfs/dbraw/zinc/69/66/12/938696612.db2.gz BTOLMUYYUUZPEL-NSHDSACASA-N 1 0 288.307 1.543 20 5 CDBDRO Cc1ccnc(N[C@H](C)[C@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001159497439 938734290 /nfs/dbraw/zinc/73/42/90/938734290.db2.gz NWZBEEGCSRGIOM-NXEZZACHSA-N 1 0 266.301 1.087 20 5 CDBDRO C[C@H](Nc1cc(Cl)cc([N+](=O)[O-])n1)[C@@H]1C[NH2+]CCO1 ZINC001159501178 938736076 /nfs/dbraw/zinc/73/60/76/938736076.db2.gz YVUINHGMKKYXCI-CBAPKCEASA-N 1 0 286.719 1.432 20 5 CDBDRO [NH3+]Cc1cc2ccncc2n1-c1ncc(F)cc1[N+](=O)[O-] ZINC001160959328 938850366 /nfs/dbraw/zinc/85/03/66/938850366.db2.gz LGGJLRJYVPPIIN-UHFFFAOYSA-N 1 0 287.254 1.927 20 5 CDBDRO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCO1 ZINC001161697038 938921767 /nfs/dbraw/zinc/92/17/67/938921767.db2.gz WPZRZGQWXZRELT-PSASIEDQSA-N 1 0 293.327 1.051 20 5 CDBDRO COC(=O)c1ncc([N+](=O)[O-])cc1NCCCC[NH+](C)C ZINC001161737125 938928379 /nfs/dbraw/zinc/92/83/79/938928379.db2.gz WWPDFLQDZUNLNK-UHFFFAOYSA-N 1 0 296.327 1.530 20 5 CDBDRO Cc1cc(N[C@@H](C)CN2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001162092394 938955399 /nfs/dbraw/zinc/95/53/99/938955399.db2.gz BYCMSXLBYROTFY-NSHDSACASA-N 1 0 279.344 1.004 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001162396760 939044617 /nfs/dbraw/zinc/04/46/17/939044617.db2.gz NLHYYANFXVJEOM-DTWKUNHWSA-N 1 0 266.301 1.680 20 5 CDBDRO C[C@@H]1C[C@@H](CNc2ccc3ncc([N+](=O)[O-])n3c2)C[NH2+]1 ZINC001162556423 939086357 /nfs/dbraw/zinc/08/63/57/939086357.db2.gz CFCMYHIJUUCBGK-NXEZZACHSA-N 1 0 275.312 1.652 20 5 CDBDRO O=[N+]([O-])c1cccc(NC2CC3(C2)CCC[NH2+]C3)n1 ZINC001162981688 939168858 /nfs/dbraw/zinc/16/88/58/939168858.db2.gz MQURTAWTDOOSJV-UHFFFAOYSA-N 1 0 262.313 1.934 20 5 CDBDRO C[NH2+]C1CN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001163700853 939311038 /nfs/dbraw/zinc/31/10/38/939311038.db2.gz AMYRYXUAQROSGH-UHFFFAOYSA-N 1 0 277.111 1.705 20 5 CDBDRO CN(CC(F)(F)F)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001163715363 939312787 /nfs/dbraw/zinc/31/27/87/939312787.db2.gz XSXSWHOAMAJQPP-UHFFFAOYSA-N 1 0 291.233 1.070 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1cc2c(c([N+](=O)[O-])c1)NN(C)C2 ZINC001163785883 939330967 /nfs/dbraw/zinc/33/09/67/939330967.db2.gz IYJKYHFYQXYLKT-SECBINFHSA-N 1 0 279.344 1.729 20 5 CDBDRO C[C@@H]1CC[C@H](C[NH3+])N(c2cc([N+](=O)[O-])ccn2)C1 ZINC001164063105 939403231 /nfs/dbraw/zinc/40/32/31/939403231.db2.gz QOGZWCNAKWKHAE-MWLCHTKSSA-N 1 0 250.302 1.553 20 5 CDBDRO COc1cc(C)nc(N2C[C@@H](C)CC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC001164069095 939404767 /nfs/dbraw/zinc/40/47/67/939404767.db2.gz IFXVCJNXEDIPJZ-ONGXEEELSA-N 1 0 294.355 1.870 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N(CCC[NH3+])C(C)C ZINC001164116693 939412612 /nfs/dbraw/zinc/41/26/12/939412612.db2.gz VFOPMCNEPSNXJL-UHFFFAOYSA-N 1 0 268.317 1.562 20 5 CDBDRO C[NH+]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@@H]2C1 ZINC001165151442 939519791 /nfs/dbraw/zinc/51/97/91/939519791.db2.gz UXLXCWJHACOCOX-IUCAKERBSA-N 1 0 266.276 1.127 20 5 CDBDRO Cc1ccnc(-n2ncc3c2CC[NH2+]C3)c1[N+](=O)[O-] ZINC001165219346 939526472 /nfs/dbraw/zinc/52/64/72/939526472.db2.gz XKONDJGIWXKEQT-UHFFFAOYSA-N 1 0 259.269 1.130 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001165388699 939556788 /nfs/dbraw/zinc/55/67/88/939556788.db2.gz CTPYEDDLCOMBHZ-CBAPKCEASA-N 1 0 268.704 1.584 20 5 CDBDRO Cc1ccc(O[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001218181500 941043026 /nfs/dbraw/zinc/04/30/26/941043026.db2.gz FIYWXDCANJBACM-QMMMGPOBSA-N 1 0 267.241 1.552 20 5 CDBDRO CCOC(=O)[C@H](C)[C@H](OCC[N+](C)(C)C)C(F)(F)F ZINC001224772000 941789947 /nfs/dbraw/zinc/78/99/47/941789947.db2.gz VLDOCRZVVSRKPM-ZJUUUORDSA-N 1 0 286.314 1.839 20 5 CDBDRO COc1cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1OC ZINC001225305154 941842572 /nfs/dbraw/zinc/84/25/72/941842572.db2.gz UYSYEYWQOZZLFY-LLVKDONJSA-N 1 0 298.359 1.066 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226166951 941961215 /nfs/dbraw/zinc/96/12/15/941961215.db2.gz APCSUQHORHPYGH-SNVBAGLBSA-N 1 0 279.296 1.167 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc([N+](=O)[O-])cc1C(N)=O ZINC001226167134 941961442 /nfs/dbraw/zinc/96/14/42/941961442.db2.gz DGISLOBAEOVPEY-SNVBAGLBSA-N 1 0 295.339 1.803 20 5 CDBDRO CN1CC[C@H](Oc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001226252695 941975451 /nfs/dbraw/zinc/97/54/51/941975451.db2.gz SBISHZGZTLLXEG-QMMMGPOBSA-N 1 0 257.677 1.726 20 5 CDBDRO COCCC[NH+]1CCC(Oc2ncc([N+](=O)[O-])cn2)CC1 ZINC001226733980 942059793 /nfs/dbraw/zinc/05/97/93/942059793.db2.gz DSNRCEHKXIEHCV-UHFFFAOYSA-N 1 0 296.327 1.265 20 5 CDBDRO C[N@@H+]1CC[C@H](Oc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)C1 ZINC001228240760 942283576 /nfs/dbraw/zinc/28/35/76/942283576.db2.gz SUIRFYJYWFGKBC-VIFPVBQESA-N 1 0 290.279 1.327 20 5 CDBDRO COC(=O)c1c(O[C@@H]2CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC001229046969 942411908 /nfs/dbraw/zinc/41/19/08/942411908.db2.gz WFVVRORLSPKAPR-SECBINFHSA-N 1 0 280.280 1.464 20 5 CDBDRO C[C@@H](NC(=O)[C@@H](C)[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001263197209 943783370 /nfs/dbraw/zinc/78/33/70/943783370.db2.gz PDSJWLAFGOHVFS-NXEZZACHSA-N 1 0 277.324 1.913 20 5 CDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC001261259781 946023456 /nfs/dbraw/zinc/02/34/56/946023456.db2.gz RWPRIABXEDCQOZ-GFCCVEGCSA-N 1 0 285.388 1.765 20 5 CDBDRO C[C@@H](NCC[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001262256843 946549342 /nfs/dbraw/zinc/54/93/42/946549342.db2.gz WJHNWBKETUPCQH-VXGBXAGGSA-N 1 0 255.362 1.506 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCNC(=O)C1 ZINC001254533192 947514366 /nfs/dbraw/zinc/51/43/66/947514366.db2.gz XTRKSKFNSPZTDG-VXGBXAGGSA-N 1 0 291.351 1.642 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCn1cnnc1 ZINC001254539970 947518315 /nfs/dbraw/zinc/51/83/15/947518315.db2.gz NMONCBIFFJRBQB-NSHDSACASA-N 1 0 275.312 1.407 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC001254550283 947521526 /nfs/dbraw/zinc/52/15/26/947521526.db2.gz HETOKGBURICMRX-LBPRGKRZSA-N 1 0 263.341 1.773 20 5 CDBDRO NC(=[NH2+])c1nccn1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254574452 947532205 /nfs/dbraw/zinc/53/22/05/947532205.db2.gz HKXYPUCZVLODFS-LLVKDONJSA-N 1 0 271.280 1.415 20 5 CDBDRO CC(C)[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254584731 947541101 /nfs/dbraw/zinc/54/11/01/947541101.db2.gz TZVLBVJGHUBFPH-YPMHNXCESA-N 1 0 277.324 1.162 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCc3nncn3CC1)C2 ZINC001254595865 947546703 /nfs/dbraw/zinc/54/67/03/947546703.db2.gz ZXIJGAGXVHMXBG-CQSZACIVSA-N 1 0 299.334 1.212 20 5 CDBDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600912 947551389 /nfs/dbraw/zinc/55/13/89/947551389.db2.gz WQSDKNJZYQOYIU-VCTAVGKDSA-N 1 0 276.336 1.907 20 5 CDBDRO C[N@H+]([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1(C)COC1 ZINC001254602854 947552913 /nfs/dbraw/zinc/55/29/13/947552913.db2.gz JGVMMNLCZDZPAK-ZDUSSCGKSA-N 1 0 262.309 1.783 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246633386 948370871 /nfs/dbraw/zinc/37/08/71/948370871.db2.gz DLTMCNSZPOBGIO-NJZAAPMLSA-N 1 0 275.352 1.962 20 5 CDBDRO Cc1nc(NCC[N@H+]2CCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC001326491501 954406970 /nfs/dbraw/zinc/40/69/70/954406970.db2.gz GTPYUHFJBIMROB-VIFPVBQESA-N 1 0 265.317 1.589 20 5 CDBDRO O=C(NC[C@H]1C[NH+]2CCC1CC2)c1csc([N+](=O)[O-])c1 ZINC001304524254 956198423 /nfs/dbraw/zinc/19/84/23/956198423.db2.gz HCHRPPJMVXYLAU-NSHDSACASA-N 1 0 295.364 1.728 20 5 CDBDRO CC[N@H+](C)[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001306058230 956301587 /nfs/dbraw/zinc/30/15/87/956301587.db2.gz UZARWZZDNKXSNJ-CQSZACIVSA-N 1 0 291.351 1.690 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](c3ncccn3)C2)n1 ZINC001308113989 956473979 /nfs/dbraw/zinc/47/39/79/956473979.db2.gz PANFZFMUBBPHST-NSHDSACASA-N 1 0 288.311 1.071 20 5 CDBDRO CC1(c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)C[NH2+]C1 ZINC001331451829 957070457 /nfs/dbraw/zinc/07/04/57/957070457.db2.gz ZLIMWUVPXAVEPJ-UHFFFAOYSA-N 1 0 275.268 1.088 20 5 CDBDRO Cc1c(C[NH2+]CC2(C)OCCO2)cccc1[N+](=O)[O-] ZINC001332314301 957514865 /nfs/dbraw/zinc/51/48/65/957514865.db2.gz TTWTVIDYYUMBES-UHFFFAOYSA-N 1 0 266.297 1.756 20 5 CDBDRO CC[NH+](CC)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001319326861 958499680 /nfs/dbraw/zinc/49/96/80/958499680.db2.gz NUGBGSFXTCBEAQ-UHFFFAOYSA-N 1 0 295.387 1.598 20 5 CDBDRO C[C@@](O)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001335383129 959761647 /nfs/dbraw/zinc/76/16/47/959761647.db2.gz XRBVUGVNDRNGOW-UONOGXRCSA-N 1 0 280.324 1.379 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001335552356 959886387 /nfs/dbraw/zinc/88/63/87/959886387.db2.gz WMNXRKMJUIMARW-WDEREUQCSA-N 1 0 294.355 1.953 20 5 CDBDRO Cc1nn(CN2CCC[N@@H+]3CCC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC001322188537 960122683 /nfs/dbraw/zinc/12/26/83/960122683.db2.gz YGSVAYVXEIZKJY-CYBMUJFWSA-N 1 0 293.371 1.536 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCC(F)(F)F ZINC001336769493 960568199 /nfs/dbraw/zinc/56/81/99/960568199.db2.gz AKDLWLFEIIRSOF-UHFFFAOYSA-N 1 0 280.250 1.984 20 5 CDBDRO C[C@@H](CC(C)(C)O)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001336781747 960580806 /nfs/dbraw/zinc/58/08/06/960580806.db2.gz VRTKAFJGQFVCNN-GXFFZTMASA-N 1 0 282.340 1.767 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)c1cc(N)c([N+](=O)[O-])cn1 ZINC001337118626 960949527 /nfs/dbraw/zinc/94/95/27/960949527.db2.gz MECFSWXXLSURBK-UHFFFAOYSA-N 1 0 265.317 1.102 20 5 CDBDRO CC(C)[NH2+][C@@H]1CCCN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001339560999 962423983 /nfs/dbraw/zinc/42/39/83/962423983.db2.gz HBETWNJTWBOWNU-SNVBAGLBSA-N 1 0 279.344 1.539 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001341638840 963492459 /nfs/dbraw/zinc/49/24/59/963492459.db2.gz WREVLSQDZQJCIN-GHMZBOCLSA-N 1 0 293.323 1.088 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001343973922 964198955 /nfs/dbraw/zinc/19/89/55/964198955.db2.gz ISVJVYOVNMGLGO-CHWSQXEVSA-N 1 0 291.351 1.894 20 5 CDBDRO Cc1nc(N[C@H]2CC[N@@H+](C(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC001350499150 966682360 /nfs/dbraw/zinc/68/23/60/966682360.db2.gz CUNHNWLIZPHBFZ-JTQLQIEISA-N 1 0 279.344 1.978 20 5 CDBDRO C[NH2+]C1CC(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001353404196 967953917 /nfs/dbraw/zinc/95/39/17/967953917.db2.gz IARMJRIHYBUKTK-UHFFFAOYSA-N 1 0 291.351 1.944 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001354235148 968559872 /nfs/dbraw/zinc/55/98/72/968559872.db2.gz ICBADLDERKPFIJ-AOOOYVTPSA-N 1 0 250.302 1.485 20 5 CDBDRO O=C(CCCF)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001132461210 1163309604 /nfs/dbraw/zinc/30/96/04/1163309604.db2.gz REEMBQILXOGLJA-UHFFFAOYSA-N 1 0 283.303 1.550 20 5 CDBDRO CC(C)(CCC(=O)NCc1ccc(CC[NH3+])cc1)[N+](=O)[O-] ZINC001575298773 1171146936 /nfs/dbraw/zinc/14/69/36/1171146936.db2.gz HRXXSJXUUPJYPU-UHFFFAOYSA-N 1 0 293.367 1.640 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001575955027 1171304780 /nfs/dbraw/zinc/30/47/80/1171304780.db2.gz CYRKWOJJWQRHEH-JTQLQIEISA-N 1 0 293.323 1.411 20 5 CDBDRO Cc1cnc(N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000601185430 342489247 /nfs/dbraw/zinc/48/92/47/342489247.db2.gz UGILKWPLTCDBDV-NEPJUHHUSA-N 1 0 276.340 1.686 20 5 CDBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000601150942 342482544 /nfs/dbraw/zinc/48/25/44/342482544.db2.gz JJFKWFJUYHQEFA-GMSGAONNSA-N 1 0 278.230 1.996 20 5 CDBDRO CC(C)([NH2+]CC1(CO)COC1)c1ccccc1[N+](=O)[O-] ZINC000590020177 342518781 /nfs/dbraw/zinc/51/87/81/342518781.db2.gz JRDCPDDDXOKVBW-UHFFFAOYSA-N 1 0 280.324 1.428 20 5 CDBDRO CC(C)(C(=O)N1CC[C@@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000269169465 190473470 /nfs/dbraw/zinc/47/34/70/190473470.db2.gz SEPMBKAKFCLMAP-NSHDSACASA-N 1 0 291.351 1.680 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000601291098 342549699 /nfs/dbraw/zinc/54/96/99/342549699.db2.gz GITKKPWSHVHADR-FXAINCCUSA-N 1 0 252.270 1.005 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1COCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000601303206 342550881 /nfs/dbraw/zinc/55/08/81/342550881.db2.gz AHUYFKGLISHYKL-OASPWFOLSA-N 1 0 266.297 1.395 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCCN[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601327983 342554313 /nfs/dbraw/zinc/55/43/13/342554313.db2.gz BTLCCPPJYCTMIO-DOMZBBRYSA-N 1 0 291.351 1.705 20 5 CDBDRO [NH3+]CCC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000070187850 361772613 /nfs/dbraw/zinc/77/26/13/361772613.db2.gz JUUPPBWLMXMEIX-UHFFFAOYSA-N 1 0 266.301 1.124 20 5 CDBDRO Cc1n[nH]c(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000600315524 342089544 /nfs/dbraw/zinc/08/95/44/342089544.db2.gz USFGPFBDGFKVST-JTQLQIEISA-N 1 0 295.343 1.088 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H](C1CC1)[NH+](C)C ZINC000609287473 342100260 /nfs/dbraw/zinc/10/02/60/342100260.db2.gz RATWXPWUXPJBBC-VIFPVBQESA-N 1 0 253.306 1.080 20 5 CDBDRO COCCN1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000273084720 192038162 /nfs/dbraw/zinc/03/81/62/192038162.db2.gz LSPPQXOLYWCZIW-CQSZACIVSA-N 1 0 293.367 1.448 20 5 CDBDRO Cc1nc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000591435218 342631484 /nfs/dbraw/zinc/63/14/84/342631484.db2.gz ZWKQRTXTEMUSHT-HBNTYKKESA-N 1 0 277.328 1.257 20 5 CDBDRO CC[NH2+]CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591275565 342623956 /nfs/dbraw/zinc/62/39/56/342623956.db2.gz DFTQHZQXVYBLGO-UHFFFAOYSA-N 1 0 281.312 1.065 20 5 CDBDRO Cc1ccnc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1[N+](=O)[O-] ZINC000591438161 342631979 /nfs/dbraw/zinc/63/19/79/342631979.db2.gz MBMHBPNREWRVTI-WDEREUQCSA-N 1 0 262.313 1.486 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591447882 342632886 /nfs/dbraw/zinc/63/28/86/342632886.db2.gz CACASUXYTBTZSV-BXUZGUMPSA-N 1 0 291.351 1.787 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000591933534 342657094 /nfs/dbraw/zinc/65/70/94/342657094.db2.gz IKBGLJYRGGZLQF-WDEREUQCSA-N 1 0 292.339 1.121 20 5 CDBDRO Cc1c(CC(=O)NC[C@@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000591677640 342641532 /nfs/dbraw/zinc/64/15/32/342641532.db2.gz QQIGQTVGTTYUGD-ZDUSSCGKSA-N 1 0 291.351 1.704 20 5 CDBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC2(CCCC2)O1 ZINC000592191165 342674412 /nfs/dbraw/zinc/67/44/12/342674412.db2.gz AUBHTGGBWCTXBS-GFCCVEGCSA-N 1 0 294.355 1.825 20 5 CDBDRO CC[N@H+](CCSC)CCn1ccc([N+](=O)[O-])n1 ZINC000592202375 342676632 /nfs/dbraw/zinc/67/66/32/342676632.db2.gz YLKUIFCQAMWRGJ-UHFFFAOYSA-N 1 0 258.347 1.476 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@@H](C)CCC[NH3+])c1[N+](=O)[O-] ZINC000592337910 342685676 /nfs/dbraw/zinc/68/56/76/342685676.db2.gz WGVZHXKVRWJKCL-QMMMGPOBSA-N 1 0 283.332 1.128 20 5 CDBDRO Nc1c(-c2nc([C@@H]3CCC[NH2+]3)no2)cccc1[N+](=O)[O-] ZINC000592356707 342688029 /nfs/dbraw/zinc/68/80/29/342688029.db2.gz FYCVLSNLLYYCMT-QMMMGPOBSA-N 1 0 275.268 1.652 20 5 CDBDRO COc1ccc([C@H](C[NH3+])Cn2nccc2[N+](=O)[O-])cc1 ZINC000592158494 342670392 /nfs/dbraw/zinc/67/03/92/342670392.db2.gz HVJJLUKRCWHMFL-LLVKDONJSA-N 1 0 276.296 1.542 20 5 CDBDRO Cc1c(NC(=O)[C@H](C)N(C)CCC[NH3+])cccc1[N+](=O)[O-] ZINC000592473626 342698671 /nfs/dbraw/zinc/69/86/71/342698671.db2.gz JCBQJANZDQZVKK-NSHDSACASA-N 1 0 294.355 1.511 20 5 CDBDRO C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000533588843 282141057 /nfs/dbraw/zinc/14/10/57/282141057.db2.gz HOSDMHWQRUDDAO-VIFPVBQESA-N 1 0 272.326 1.118 20 5 CDBDRO CC[C@@H]1COC(C)(C)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000593057669 342760435 /nfs/dbraw/zinc/76/04/35/342760435.db2.gz WBGOETXSELTDNE-LLVKDONJSA-N 1 0 282.344 1.681 20 5 CDBDRO C[C@H](CCO)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000593109506 342769311 /nfs/dbraw/zinc/76/93/11/342769311.db2.gz ZHMMGTGDUYYDRD-NEPJUHHUSA-N 1 0 298.339 1.037 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000593188197 342776341 /nfs/dbraw/zinc/77/63/41/342776341.db2.gz YNWFADNVVCWSAV-GMTAPVOTSA-N 1 0 294.355 1.486 20 5 CDBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000593247959 342780739 /nfs/dbraw/zinc/78/07/39/342780739.db2.gz FODSXEFUASNXQL-UHFFFAOYSA-N 1 0 280.328 1.481 20 5 CDBDRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000322441474 342185935 /nfs/dbraw/zinc/18/59/35/342185935.db2.gz DUICFIFBDCYVJV-MGCOHNPYSA-N 1 0 281.287 1.734 20 5 CDBDRO COc1cc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000382460639 361931168 /nfs/dbraw/zinc/93/11/68/361931168.db2.gz VREYTCTVJZOUOJ-ONGXEEELSA-N 1 0 293.323 1.461 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342876987 361960134 /nfs/dbraw/zinc/96/01/34/361960134.db2.gz WSGHGHCJNXGZKK-UHFFFAOYSA-N 1 0 292.339 1.224 20 5 CDBDRO O=C([C@H]1CCC[NH2+]CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000593902720 342853844 /nfs/dbraw/zinc/85/38/44/342853844.db2.gz UWQXVBYQEDKJPD-LBPRGKRZSA-N 1 0 289.335 1.874 20 5 CDBDRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000323258107 342862979 /nfs/dbraw/zinc/86/29/79/342862979.db2.gz GBISQVPRFWCNOS-AAEUAGOBSA-N 1 0 250.298 1.906 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000609383011 342264490 /nfs/dbraw/zinc/26/44/90/342264490.db2.gz ACJZCHACWBTJMH-JTQLQIEISA-N 1 0 280.328 1.005 20 5 CDBDRO C[NH2+]C1(CNC(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000600823588 342251375 /nfs/dbraw/zinc/25/13/75/342251375.db2.gz GYRPPZCALYCNQR-UHFFFAOYSA-N 1 0 263.297 1.467 20 5 CDBDRO O=C1CCC[C@@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])N1 ZINC000594503986 342914357 /nfs/dbraw/zinc/91/43/57/342914357.db2.gz LCWGXDSZMXCTCP-GWCFXTLKSA-N 1 0 289.335 1.840 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000092952508 342270408 /nfs/dbraw/zinc/27/04/08/342270408.db2.gz IDALORYTIDCUDF-KOLCDFICSA-N 1 0 263.297 1.840 20 5 CDBDRO COCCOCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595010910 342990345 /nfs/dbraw/zinc/99/03/45/342990345.db2.gz ZXVLKGIZZCWVPZ-LLVKDONJSA-N 1 0 298.339 1.917 20 5 CDBDRO COc1cc(C[NH2+][C@H](C)C2(CO)CC2)c([N+](=O)[O-])cc1O ZINC000594968710 342991208 /nfs/dbraw/zinc/99/12/08/342991208.db2.gz ILQCTRGEBNAEMT-SECBINFHSA-N 1 0 296.323 1.560 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H]1CC[NH3+] ZINC000404276448 349769442 /nfs/dbraw/zinc/76/94/42/349769442.db2.gz BAQQQTYIBKQDNR-JQWIXIFHSA-N 1 0 294.355 1.523 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H]1CC[NH3+] ZINC000404343933 349771707 /nfs/dbraw/zinc/77/17/07/349771707.db2.gz GCBVFHDBIIAFBM-SKDRFNHKSA-N 1 0 280.328 1.512 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H](O)C1CC1 ZINC000619531676 349792703 /nfs/dbraw/zinc/79/27/03/349792703.db2.gz PXFPUANCGMGABB-ZDUSSCGKSA-N 1 0 280.324 1.806 20 5 CDBDRO Nc1nc(N2CCC[C@@H]([NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000076268341 342320391 /nfs/dbraw/zinc/32/03/91/342320391.db2.gz GPYSABZZEBUVTB-SNVBAGLBSA-N 1 0 292.343 1.032 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000330581134 365702320 /nfs/dbraw/zinc/70/23/20/365702320.db2.gz QMXSGWLQFOPAIF-VXGBXAGGSA-N 1 0 281.360 1.206 20 5 CDBDRO CC(C)([NH2+]CCc1cn[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000595509067 343080465 /nfs/dbraw/zinc/08/04/65/343080465.db2.gz FJOVPOYOHJVDQH-UHFFFAOYSA-N 1 0 275.312 1.780 20 5 CDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000126462019 187241390 /nfs/dbraw/zinc/24/13/90/187241390.db2.gz SHCIDNAXHMRYLM-ZJUUUORDSA-N 1 0 295.364 1.554 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595810898 343161121 /nfs/dbraw/zinc/16/11/21/343161121.db2.gz PKCVYLBMEXIOBZ-QWRGUYRKSA-N 1 0 263.297 1.098 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000595962828 343197282 /nfs/dbraw/zinc/19/72/82/343197282.db2.gz UWFMDSWVBGFRFH-UHFFFAOYSA-N 1 0 265.313 1.333 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000595982257 343210696 /nfs/dbraw/zinc/21/06/96/343210696.db2.gz CWEGOHFOBPZWNZ-SNVBAGLBSA-N 1 0 279.340 1.858 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CC1(C)C ZINC000595913877 343190250 /nfs/dbraw/zinc/19/02/50/343190250.db2.gz VYMVQHZFTLMOPA-JTQLQIEISA-N 1 0 252.318 1.769 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000595916352 343190779 /nfs/dbraw/zinc/19/07/79/343190779.db2.gz QLANXBOMUMNEHW-LLVKDONJSA-N 1 0 265.313 1.551 20 5 CDBDRO O=c1[nH]ccc(N2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000596074031 343226116 /nfs/dbraw/zinc/22/61/16/343226116.db2.gz XCVJGCKGGDONGE-UHFFFAOYSA-N 1 0 292.339 1.760 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596090477 343233845 /nfs/dbraw/zinc/23/38/45/343233845.db2.gz VXFOJOJRHDOZOV-JTQLQIEISA-N 1 0 280.328 1.839 20 5 CDBDRO C[N@@H+]1CCC[C@]2(CCN(c3ccc(N)c([N+](=O)[O-])n3)C2)C1 ZINC000596244390 343285691 /nfs/dbraw/zinc/28/56/91/343285691.db2.gz QUSDPEPSEIKWAV-AWEZNQCLSA-N 1 0 291.355 1.494 20 5 CDBDRO C[NH+](C)CC1(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCC1 ZINC000596226193 343272239 /nfs/dbraw/zinc/27/22/39/343272239.db2.gz PTDXKCWUPYTCMV-UHFFFAOYSA-N 1 0 292.339 1.590 20 5 CDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000596483302 343327901 /nfs/dbraw/zinc/32/79/01/343327901.db2.gz YOLNKFJBKGHVBJ-JTQLQIEISA-N 1 0 280.328 1.147 20 5 CDBDRO C[C@H](CCNc1cc[nH]c(=O)c1[N+](=O)[O-])[NH+](C)C ZINC000596426484 343311943 /nfs/dbraw/zinc/31/19/43/343311943.db2.gz AQHWYYCQQXNTIZ-MRVPVSSYSA-N 1 0 254.290 1.448 20 5 CDBDRO NC(=O)C[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000588977590 342446417 /nfs/dbraw/zinc/44/64/17/342446417.db2.gz PZFXHVQVBUPHHW-VIFPVBQESA-N 1 0 281.287 1.431 20 5 CDBDRO CN(CCC[NH+]1CCCC1)c1cccnc1[N+](=O)[O-] ZINC000619588237 349813164 /nfs/dbraw/zinc/81/31/64/349813164.db2.gz LPXMBEYVVSCNSS-UHFFFAOYSA-N 1 0 264.329 1.912 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+](CCCO)C2)s1 ZINC000295029876 199308309 /nfs/dbraw/zinc/30/83/09/199308309.db2.gz VKUNBOJKCLUWKX-VIFPVBQESA-N 1 0 286.357 1.310 20 5 CDBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)Cn1cccn1 ZINC000051383744 343605269 /nfs/dbraw/zinc/60/52/69/343605269.db2.gz CRKDVYPMBYWQEK-CYBMUJFWSA-N 1 0 290.323 1.284 20 5 CDBDRO CCc1ccc(C(=O)N2CC(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000597707837 343605590 /nfs/dbraw/zinc/60/55/90/343605590.db2.gz HFJFTYNJCLFIAS-UHFFFAOYSA-N 1 0 291.351 1.791 20 5 CDBDRO C[NH+](C)CC1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000597707759 343605803 /nfs/dbraw/zinc/60/58/03/343605803.db2.gz FQPIIEVUEWHXDC-UHFFFAOYSA-N 1 0 281.287 1.368 20 5 CDBDRO C[C@@H]([NH2+]CCN1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000599094618 343953405 /nfs/dbraw/zinc/95/34/05/343953405.db2.gz WYXZQIZQMPABPO-RISCZKNCSA-N 1 0 279.340 1.312 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]1CC[NH3+] ZINC000404382353 347037064 /nfs/dbraw/zinc/03/70/64/347037064.db2.gz UTKUYQSPOIPCRO-ONGXEEELSA-N 1 0 280.328 1.512 20 5 CDBDRO C[NH+](C)CC1(C(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000602102999 344335723 /nfs/dbraw/zinc/33/57/23/344335723.db2.gz NWVVACYDNVCWEZ-UHFFFAOYSA-N 1 0 289.335 1.826 20 5 CDBDRO CO[C@H]1C[NH2+][C@](C)(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000602431707 344424398 /nfs/dbraw/zinc/42/43/98/344424398.db2.gz KCWMIOMEUUKYMK-YPMHNXCESA-N 1 0 279.296 1.300 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000602595666 344502330 /nfs/dbraw/zinc/50/23/30/344502330.db2.gz JTZAIHCGHWYODW-VHSXEESVSA-N 1 0 295.364 1.635 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000602492571 344450626 /nfs/dbraw/zinc/45/06/26/344450626.db2.gz MXBOIVFGAZMYNR-IUCAKERBSA-N 1 0 281.287 1.604 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)C1CC1 ZINC000602761138 344582981 /nfs/dbraw/zinc/58/29/81/344582981.db2.gz RHZZMMAYRXMDAD-SECBINFHSA-N 1 0 252.318 1.830 20 5 CDBDRO COC[C@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602786132 344599092 /nfs/dbraw/zinc/59/90/92/344599092.db2.gz NAJDPQMYVJYIMP-LBPRGKRZSA-N 1 0 282.344 1.458 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN(C)CC[NH+]1CCCCC1 ZINC000602869485 344640843 /nfs/dbraw/zinc/64/08/43/344640843.db2.gz KSFVPLIZXCLYOR-UHFFFAOYSA-N 1 0 295.387 1.517 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)c1 ZINC000602997559 344684205 /nfs/dbraw/zinc/68/42/05/344684205.db2.gz MONMQLOKTNVKBP-RDBSUJKOSA-N 1 0 294.355 1.417 20 5 CDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)C[NH+]1CCCC1 ZINC000603970930 344848944 /nfs/dbraw/zinc/84/89/44/344848944.db2.gz PGDZQYUGFIPPSG-LLVKDONJSA-N 1 0 294.355 1.395 20 5 CDBDRO O=[N+]([O-])c1cccc(Br)c1OCC1C[NH2+]C1 ZINC000304520083 344907463 /nfs/dbraw/zinc/90/74/63/344907463.db2.gz SBVCMHMXCCUVIP-UHFFFAOYSA-N 1 0 287.113 1.956 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@](C)(O)C[NH+](C)C ZINC000228669227 362509828 /nfs/dbraw/zinc/50/98/28/362509828.db2.gz YHQVHYSQYXLXPE-LBPRGKRZSA-N 1 0 268.317 1.023 20 5 CDBDRO CCC(CC)[N@H+](CC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000344050284 362539454 /nfs/dbraw/zinc/53/94/54/362539454.db2.gz ZYDMVTJNWZHNDR-ZDUSSCGKSA-N 1 0 284.360 1.663 20 5 CDBDRO C[NH+](C)C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000041297329 345107348 /nfs/dbraw/zinc/10/73/48/345107348.db2.gz JSUBZGKJKAQJJD-UHFFFAOYSA-N 1 0 265.313 1.665 20 5 CDBDRO COc1ccc(CN2CC[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000129096212 345262364 /nfs/dbraw/zinc/26/23/64/345262364.db2.gz MQXPEVGDGIJVPV-PWSUYJOCSA-N 1 0 279.340 1.915 20 5 CDBDRO C[C@]1(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000230733378 345440973 /nfs/dbraw/zinc/44/09/73/345440973.db2.gz DXFBGGOOZKFWAM-LBPRGKRZSA-N 1 0 283.715 1.730 20 5 CDBDRO Cc1cnc(N2CC[C@H](OCC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000611132728 346617159 /nfs/dbraw/zinc/61/71/59/346617159.db2.gz CZSVIKHDWOTNOZ-LBPRGKRZSA-N 1 0 294.355 1.455 20 5 CDBDRO O=[N+]([O-])c1ncccc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611165704 346626542 /nfs/dbraw/zinc/62/65/42/346626542.db2.gz BBYBIVLRDBXVKW-LBPRGKRZSA-N 1 0 292.339 1.655 20 5 CDBDRO CC[N@H+](CCCO)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611273905 346733062 /nfs/dbraw/zinc/73/30/62/346733062.db2.gz VDVBJADFUNAAKZ-UHFFFAOYSA-N 1 0 296.323 1.570 20 5 CDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1ncccc1[N+](=O)[O-] ZINC000611299020 346740644 /nfs/dbraw/zinc/74/06/44/346740644.db2.gz IJIJFJWTXGARBX-VHSXEESVSA-N 1 0 250.302 1.519 20 5 CDBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000273428512 192146218 /nfs/dbraw/zinc/14/62/18/192146218.db2.gz WVHWKDWLFYHOQE-HZMBPMFUSA-N 1 0 290.323 1.713 20 5 CDBDRO CCNC(=O)CN(CC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000015307293 348523113 /nfs/dbraw/zinc/52/31/13/348523113.db2.gz ZSBHMTMHQSBRFP-UHFFFAOYSA-N 1 0 295.339 1.561 20 5 CDBDRO C[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000057707826 348844411 /nfs/dbraw/zinc/84/44/11/348844411.db2.gz ZXAPOCYFHJLCIX-QMMMGPOBSA-N 1 0 283.353 1.869 20 5 CDBDRO Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000089091321 179699117 /nfs/dbraw/zinc/69/91/17/179699117.db2.gz VMOIXJMUNSITKX-NWDGAFQWSA-N 1 0 277.324 1.760 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N(C)[C@@H]1CCN(C)C1=O ZINC000072667055 349127963 /nfs/dbraw/zinc/12/79/63/349127963.db2.gz JBHUKNSRQLCGJB-ZWNOBZJWSA-N 1 0 277.324 1.818 20 5 CDBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665070 349128148 /nfs/dbraw/zinc/12/81/48/349128148.db2.gz GJSUZBBORGFCIN-LBPRGKRZSA-N 1 0 294.355 1.903 20 5 CDBDRO O=C1C[C@]2(CN1)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000072829826 349135631 /nfs/dbraw/zinc/13/56/31/349135631.db2.gz IASZMGLACKKETP-HNNXBMFYSA-N 1 0 289.335 1.697 20 5 CDBDRO COc1cc(OCC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000111054696 349220784 /nfs/dbraw/zinc/22/07/84/349220784.db2.gz PLOYFBKERCLVHD-UHFFFAOYSA-N 1 0 266.297 1.982 20 5 CDBDRO C[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000090848564 180045614 /nfs/dbraw/zinc/04/56/14/180045614.db2.gz KGXVJHOWCRTRKC-MFKMUULPSA-N 1 0 266.297 1.397 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364178459 362961421 /nfs/dbraw/zinc/96/14/21/362961421.db2.gz SBPNKSTZTFWHRJ-TZMCWYRMSA-N 1 0 275.308 1.211 20 5 CDBDRO O=C(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)NC1CC1 ZINC000107844413 186195632 /nfs/dbraw/zinc/19/56/32/186195632.db2.gz YOHBQKOUSIDTLG-UHFFFAOYSA-N 1 0 277.324 1.743 20 5 CDBDRO CC(C)C[C@H](C[NH3+])NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000109705408 186268934 /nfs/dbraw/zinc/26/89/34/186268934.db2.gz XMBLPKMKVVJALY-GFCCVEGCSA-N 1 0 279.340 1.627 20 5 CDBDRO Cc1cc(C(=O)NCC[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000110794523 186325198 /nfs/dbraw/zinc/32/51/98/186325198.db2.gz RUFDWTGFPSXKLN-LLVKDONJSA-N 1 0 277.324 1.633 20 5 CDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CC[NH2+]C1 ZINC000110794716 186325002 /nfs/dbraw/zinc/32/50/02/186325002.db2.gz FUBDYWOAVAWKQT-YIALFULDSA-N 1 0 289.335 1.724 20 5 CDBDRO Cc1nn(CC[N@@H+]2CCCOCC2)c(C)c1[N+](=O)[O-] ZINC000412986776 362990966 /nfs/dbraw/zinc/99/09/66/362990966.db2.gz VCZKCAGQIGXPAZ-UHFFFAOYSA-N 1 0 268.317 1.130 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000036782264 363013880 /nfs/dbraw/zinc/01/38/80/363013880.db2.gz NWWHHMZOCLTZAL-SNVBAGLBSA-N 1 0 277.324 1.832 20 5 CDBDRO CC(C)[C@H](O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000124844355 351375954 /nfs/dbraw/zinc/37/59/54/351375954.db2.gz RJGIOEIPCIDFQO-CYBMUJFWSA-N 1 0 252.314 1.744 20 5 CDBDRO CC1(C)CN(Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000614920394 363069516 /nfs/dbraw/zinc/06/95/16/363069516.db2.gz HWIRETRTWSGSEX-UHFFFAOYSA-N 1 0 293.367 1.483 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000120640308 186914410 /nfs/dbraw/zinc/91/44/10/186914410.db2.gz HLGJKFBJJBHUGO-UHFFFAOYSA-N 1 0 283.353 1.608 20 5 CDBDRO C[C@H](CCCC[NH3+])NC(=O)c1csc([N+](=O)[O-])c1 ZINC000291696850 198061592 /nfs/dbraw/zinc/06/15/92/198061592.db2.gz AJHZOYSYQZGXAT-MRVPVSSYSA-N 1 0 271.342 1.904 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000122637942 187043245 /nfs/dbraw/zinc/04/32/45/187043245.db2.gz XDZNEMGTLVMXDB-MRVPVSSYSA-N 1 0 269.326 1.480 20 5 CDBDRO C[NH+]1CCN(CCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000034273177 363176853 /nfs/dbraw/zinc/17/68/53/363176853.db2.gz RODMCJCFJLTJGF-UHFFFAOYSA-N 1 0 278.356 1.644 20 5 CDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])s3)C2)C1 ZINC000292364602 198259565 /nfs/dbraw/zinc/25/95/65/198259565.db2.gz WHUMXYXTWWLBPW-CYBMUJFWSA-N 1 0 295.364 1.824 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000295165727 199382611 /nfs/dbraw/zinc/38/26/11/199382611.db2.gz FKWUOYMWROQKIB-QMMMGPOBSA-N 1 0 269.276 1.591 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@@H](C)O ZINC000156303021 188253703 /nfs/dbraw/zinc/25/37/03/188253703.db2.gz KLWGTJZRHJJNSQ-LLVKDONJSA-N 1 0 295.339 1.544 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)C[NH+](C)C ZINC000292512190 198315368 /nfs/dbraw/zinc/31/53/68/198315368.db2.gz YFCPVMFQPKRDOX-JTQLQIEISA-N 1 0 279.340 1.831 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000157127913 188298957 /nfs/dbraw/zinc/29/89/57/188298957.db2.gz OBYNXIISHYAJHZ-JTQLQIEISA-N 1 0 285.731 1.961 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000157615844 188327707 /nfs/dbraw/zinc/32/77/07/188327707.db2.gz BMCHFMNGHKHDQV-JSGCOSHPSA-N 1 0 291.351 1.771 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158760871 188393135 /nfs/dbraw/zinc/39/31/35/188393135.db2.gz NCTVYICZTIJUNT-HNNXBMFYSA-N 1 0 289.335 1.729 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000293075649 198518151 /nfs/dbraw/zinc/51/81/51/198518151.db2.gz NNCRJEYRMLPRQM-SNVBAGLBSA-N 1 0 264.329 1.565 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293421598 198631387 /nfs/dbraw/zinc/63/13/87/198631387.db2.gz NSZFUWSREGFQOW-ZANVPECISA-N 1 0 290.323 1.001 20 5 CDBDRO C[C@H](CCC[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000336814999 356272916 /nfs/dbraw/zinc/27/29/16/356272916.db2.gz YOYYZPGUFAXGLY-SECBINFHSA-N 1 0 287.341 1.001 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000358540340 356304663 /nfs/dbraw/zinc/30/46/63/356304663.db2.gz GTJWFAXOKYQIQL-CQSZACIVSA-N 1 0 291.351 1.548 20 5 CDBDRO CC(C)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000273591653 192219531 /nfs/dbraw/zinc/21/95/31/192219531.db2.gz HICXDMRISLPGAH-UHFFFAOYSA-N 1 0 265.317 1.670 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000134654601 356370684 /nfs/dbraw/zinc/37/06/84/356370684.db2.gz BBIBIGNMZZGDAO-VIFPVBQESA-N 1 0 297.742 1.930 20 5 CDBDRO CC[N@@H+]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344556131 363502707 /nfs/dbraw/zinc/50/27/07/363502707.db2.gz HZQJSXYUNALIPC-UHFFFAOYSA-N 1 0 295.314 1.902 20 5 CDBDRO COc1cccc(C(=O)NC[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000566098510 357278605 /nfs/dbraw/zinc/27/86/05/357278605.db2.gz MLQKKRHMNQPNNG-SNVBAGLBSA-N 1 0 293.323 1.333 20 5 CDBDRO CCc1n[nH]c(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000185733344 357571249 /nfs/dbraw/zinc/57/12/49/357571249.db2.gz LLUPTSOCBPEAJA-SECBINFHSA-N 1 0 295.343 1.047 20 5 CDBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000185187176 357518938 /nfs/dbraw/zinc/51/89/38/357518938.db2.gz LFBKGCJQFDMIPO-UPJWGTAASA-N 1 0 289.335 1.333 20 5 CDBDRO CC[C@H]1[C@H](C)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000185621368 357561119 /nfs/dbraw/zinc/56/11/19/357561119.db2.gz YPAMSRNTKQFGPX-YPMHNXCESA-N 1 0 279.340 1.877 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000186821106 357696180 /nfs/dbraw/zinc/69/61/80/357696180.db2.gz NTXYRIPQIRQJGF-CABZTGNLSA-N 1 0 293.323 1.331 20 5 CDBDRO CCc1nn(C)c(N[C@@H]2CC[N@H+](CCOC)C2)c1[N+](=O)[O-] ZINC000360909563 357742914 /nfs/dbraw/zinc/74/29/14/357742914.db2.gz IRWGTWVCECIHNJ-SNVBAGLBSA-N 1 0 297.359 1.023 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCn2ccnc2C1 ZINC000361004690 357771049 /nfs/dbraw/zinc/77/10/49/357771049.db2.gz ZJOGQHWJMNQDKW-JTQLQIEISA-N 1 0 290.327 1.743 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000135236998 357800626 /nfs/dbraw/zinc/80/06/26/357800626.db2.gz KLUNMTGYVKYXBY-WCQYABFASA-N 1 0 291.351 1.723 20 5 CDBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000286693218 357955870 /nfs/dbraw/zinc/95/58/70/357955870.db2.gz WADMJQSABOGDJE-DGCLKSJQSA-N 1 0 293.323 1.039 20 5 CDBDRO Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000191719407 358148610 /nfs/dbraw/zinc/14/86/10/358148610.db2.gz WKXFYQXIEZIHDL-YPMHNXCESA-N 1 0 264.325 1.963 20 5 CDBDRO CCc1ccc(C(=O)N(C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000294737932 199159497 /nfs/dbraw/zinc/15/94/97/199159497.db2.gz CAMMZPJAYWIRHZ-UHFFFAOYSA-N 1 0 277.324 1.719 20 5 CDBDRO C[NH+]1CCC(Nc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000192766846 358233693 /nfs/dbraw/zinc/23/36/93/358233693.db2.gz ZBSAHULRYKFGFA-UHFFFAOYSA-N 1 0 250.302 1.683 20 5 CDBDRO CC[N@H+](C)C[C@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000192796721 358236747 /nfs/dbraw/zinc/23/67/47/358236747.db2.gz HITDDBUQCWTWGO-LLVKDONJSA-N 1 0 278.356 1.955 20 5 CDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000361568732 358324900 /nfs/dbraw/zinc/32/49/00/358324900.db2.gz JPTZWVHQHOOGON-YNEHKIRRSA-N 1 0 281.356 1.129 20 5 CDBDRO CC[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176208067 358737324 /nfs/dbraw/zinc/73/73/24/358737324.db2.gz IKVSHYYPOPNDIV-NSHDSACASA-N 1 0 252.318 1.913 20 5 CDBDRO CCN(C)C(=O)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000185176158 358777341 /nfs/dbraw/zinc/77/73/41/358777341.db2.gz VMSHSCFDULJXDL-UHFFFAOYSA-N 1 0 281.312 1.171 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H](O)C1CC1 ZINC000341173094 366520819 /nfs/dbraw/zinc/52/08/19/366520819.db2.gz ZOQDGRWYCDOWGY-LYKUJDHUSA-N 1 0 262.309 1.969 20 5 CDBDRO CC[N@H+](C[C@@H](C)OC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000291317000 358929009 /nfs/dbraw/zinc/92/90/09/358929009.db2.gz UGVPAQWBRIMNEW-RISCZKNCSA-N 1 0 282.340 1.985 20 5 CDBDRO C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CCC[N@@H+]1C ZINC000342361262 359017042 /nfs/dbraw/zinc/01/70/42/359017042.db2.gz SKTCJSSCKDBDIF-SCZZXKLOSA-N 1 0 266.301 1.135 20 5 CDBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccn1 ZINC000119800776 359018575 /nfs/dbraw/zinc/01/85/75/359018575.db2.gz JGTHDEZUUSBEGQ-UHFFFAOYSA-N 1 0 275.312 1.708 20 5 CDBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000342588612 359126226 /nfs/dbraw/zinc/12/62/26/359126226.db2.gz MNXNALBLEFWSNO-UHFFFAOYSA-N 1 0 283.715 1.859 20 5 CDBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]C1 ZINC000050164004 359352293 /nfs/dbraw/zinc/35/22/93/359352293.db2.gz SUDVBNCJAFNVPY-ZJUUUORDSA-N 1 0 250.302 1.790 20 5 CDBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)CO ZINC000339626516 359420226 /nfs/dbraw/zinc/42/02/26/359420226.db2.gz JNFVDORAWNEMNP-JTQLQIEISA-N 1 0 268.313 1.806 20 5 CDBDRO COc1ccc(CNC(=O)[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000269045952 366606631 /nfs/dbraw/zinc/60/66/31/366606631.db2.gz NIMVNJYCOZVKDQ-GFCCVEGCSA-N 1 0 281.312 1.203 20 5 CDBDRO CC(=O)c1cc(N(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000228260484 359945846 /nfs/dbraw/zinc/94/58/46/359945846.db2.gz PDTMZMVZJBWZCJ-UHFFFAOYSA-N 1 0 265.313 1.795 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062895343 360025698 /nfs/dbraw/zinc/02/56/98/360025698.db2.gz CDIFOPUMGOVYDZ-AWEZNQCLSA-N 1 0 277.324 1.553 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)CC[C@H]21 ZINC000247930311 360247400 /nfs/dbraw/zinc/24/74/00/360247400.db2.gz BZKPZIMRWPEOSD-WDEREUQCSA-N 1 0 293.323 1.744 20 5 CDBDRO CSc1ccc(C(=O)N2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000178361245 189110201 /nfs/dbraw/zinc/11/02/01/189110201.db2.gz WMKQKCGSSYFUJS-UHFFFAOYSA-N 1 0 295.364 1.752 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000575114057 360805183 /nfs/dbraw/zinc/80/51/83/360805183.db2.gz IKHLOJFMDDFHBL-YWPYICTPSA-N 1 0 294.351 1.639 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000449638802 283632090 /nfs/dbraw/zinc/63/20/90/283632090.db2.gz MBUMUGDNXAIALW-ONGXEEELSA-N 1 0 295.314 1.981 20 5 CDBDRO CC[NH+](CC)CCCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180882215 189281678 /nfs/dbraw/zinc/28/16/78/189281678.db2.gz IHZQYUXRXSOAJF-UHFFFAOYSA-N 1 0 294.355 1.639 20 5 CDBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000367278970 361261796 /nfs/dbraw/zinc/26/17/96/361261796.db2.gz POJWADCJCVDLCX-TXEJJXNPSA-N 1 0 289.335 1.795 20 5 CDBDRO COc1ccc(CN2CC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000168626921 361335463 /nfs/dbraw/zinc/33/54/63/361335463.db2.gz UPVSAEPPTGQZFF-JQWIXIFHSA-N 1 0 279.340 1.773 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000236818793 361380137 /nfs/dbraw/zinc/38/01/37/361380137.db2.gz FAODTDVWGSBNPO-NSHDSACASA-N 1 0 295.339 1.607 20 5 CDBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cn1)C(C)(C)C[NH+](C)C ZINC000302155861 201370719 /nfs/dbraw/zinc/37/07/19/201370719.db2.gz MRHQVALACCWXBM-SECBINFHSA-N 1 0 267.333 1.773 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[NH+](C)C ZINC000037985612 363963475 /nfs/dbraw/zinc/96/34/75/363963475.db2.gz ISGRBULISBLQOB-QMMMGPOBSA-N 1 0 285.731 1.928 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000582321887 364084665 /nfs/dbraw/zinc/08/46/65/364084665.db2.gz IUHWKYATHFWDOO-VHSXEESVSA-N 1 0 281.360 1.648 20 5 CDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000345816261 364023400 /nfs/dbraw/zinc/02/34/00/364023400.db2.gz KNVTYTGILMFGBR-QWHCGFSZSA-N 1 0 277.324 1.599 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000367651690 364032969 /nfs/dbraw/zinc/03/29/69/364032969.db2.gz VMDNPGAPWVDSBP-VIFPVBQESA-N 1 0 278.312 1.049 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[NH2+]1 ZINC000088059007 364047738 /nfs/dbraw/zinc/04/77/38/364047738.db2.gz WDBJXRIDIFWYQP-ZETCQYMHSA-N 1 0 255.299 1.090 20 5 CDBDRO COc1cc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)ccc1[N+](=O)[O-] ZINC000189302474 189529050 /nfs/dbraw/zinc/52/90/50/189529050.db2.gz GNDWUVSSZPVHMW-KOLCDFICSA-N 1 0 293.323 1.474 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C[NH3+])C2)c1 ZINC000237240879 364569008 /nfs/dbraw/zinc/56/90/08/364569008.db2.gz VILJERFECCWPRA-JTQLQIEISA-N 1 0 293.323 1.414 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000353403687 364932827 /nfs/dbraw/zinc/93/28/27/364932827.db2.gz SRNVBRMBPXNAEU-NSHDSACASA-N 1 0 292.339 1.385 20 5 CDBDRO CC[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000270957390 366946156 /nfs/dbraw/zinc/94/61/56/366946156.db2.gz UNRJPBJVANXONS-GXFFZTMASA-N 1 0 250.298 1.798 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1([NH3+])CCC1 ZINC000414650586 241299861 /nfs/dbraw/zinc/29/98/61/241299861.db2.gz DJOAIJFOLAEAHL-UHFFFAOYSA-N 1 0 294.311 1.606 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000414668046 241311198 /nfs/dbraw/zinc/31/11/98/241311198.db2.gz YMRBNSPARHPGAL-NSHDSACASA-N 1 0 278.312 1.729 20 5 CDBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[NH2+]1 ZINC000130510108 367227036 /nfs/dbraw/zinc/22/70/36/367227036.db2.gz IWQZEAAAMKBRGX-NSHDSACASA-N 1 0 293.323 1.232 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](C)C[NH3+] ZINC000415300559 241638675 /nfs/dbraw/zinc/63/86/75/241638675.db2.gz RYYJJDJTGYOPGU-MRVPVSSYSA-N 1 0 280.328 1.928 20 5 CDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000272201750 367311106 /nfs/dbraw/zinc/31/11/06/367311106.db2.gz GOAUOHDCVATSDI-BDAKNGLRSA-N 1 0 295.343 1.080 20 5 CDBDRO Cc1c(C(=O)NCC2([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000416292612 241921618 /nfs/dbraw/zinc/92/16/18/241921618.db2.gz ROUZAQRAPXEMIO-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269160256 367638642 /nfs/dbraw/zinc/63/86/42/367638642.db2.gz LNTAZEVVPMXAOD-QMMMGPOBSA-N 1 0 277.280 1.808 20 5 CDBDRO C[C@@H](NC(=O)N[C@@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417127283 242329304 /nfs/dbraw/zinc/32/93/04/242329304.db2.gz FRROTNATRVTYMD-DTWKUNHWSA-N 1 0 266.301 1.302 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417141700 242334819 /nfs/dbraw/zinc/33/48/19/242334819.db2.gz RTOOOULPGVQPOX-QWRGUYRKSA-N 1 0 294.355 1.811 20 5 CDBDRO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000272591219 367777735 /nfs/dbraw/zinc/77/77/35/367777735.db2.gz PMHKAIXIHLMNNX-VXGBXAGGSA-N 1 0 291.351 1.736 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](COC)OC ZINC000272695615 367795632 /nfs/dbraw/zinc/79/56/32/367795632.db2.gz QQKUJQNESCXOBU-ZDUSSCGKSA-N 1 0 298.339 1.745 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000418463382 243107477 /nfs/dbraw/zinc/10/74/77/243107477.db2.gz DAOUDNLXQUDMLR-LLVKDONJSA-N 1 0 294.355 1.374 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000418711263 243364726 /nfs/dbraw/zinc/36/47/26/243364726.db2.gz WHBHRQSHNUIDLA-NSHDSACASA-N 1 0 294.355 1.866 20 5 CDBDRO COCCCC[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000419388056 243655237 /nfs/dbraw/zinc/65/52/37/243655237.db2.gz NNXKPZHNZKOZJI-UHFFFAOYSA-N 1 0 256.306 1.150 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000089107385 368965489 /nfs/dbraw/zinc/96/54/89/368965489.db2.gz KDXQUQCOCLLBFC-DGCLKSJQSA-N 1 0 277.324 1.842 20 5 CDBDRO C[C@H]1C[N@H+](C)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000330673620 203101773 /nfs/dbraw/zinc/10/17/73/203101773.db2.gz PONNIUVADGJIQY-NSHDSACASA-N 1 0 292.339 1.169 20 5 CDBDRO C[NH2+]CCN(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000420336332 244103594 /nfs/dbraw/zinc/10/35/94/244103594.db2.gz KNAMDIJDSCLNDU-UHFFFAOYSA-N 1 0 291.311 1.296 20 5 CDBDRO Cc1n[nH]c(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000331080118 203522802 /nfs/dbraw/zinc/52/28/02/203522802.db2.gz LGZTXDXMQMODBL-VIFPVBQESA-N 1 0 297.359 1.332 20 5 CDBDRO CC1(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000193390220 370039293 /nfs/dbraw/zinc/03/92/93/370039293.db2.gz LAWVWCRRQDMHBY-UHFFFAOYSA-N 1 0 291.351 1.786 20 5 CDBDRO Cc1sc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000170867469 369980737 /nfs/dbraw/zinc/98/07/37/369980737.db2.gz NJEDTRLYSZFBSV-SECBINFHSA-N 1 0 283.353 1.741 20 5 CDBDRO CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766504 370079200 /nfs/dbraw/zinc/07/92/00/370079200.db2.gz PHYGLOHTLYVZOH-JOYOIKCWSA-N 1 0 265.313 1.755 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000060722309 284200343 /nfs/dbraw/zinc/20/03/43/284200343.db2.gz GSUWEFSKUVXFQK-JSGCOSHPSA-N 1 0 289.335 1.951 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C1 ZINC000422715549 245172991 /nfs/dbraw/zinc/17/29/91/245172991.db2.gz SJZWCIOTCJDLAK-NSHDSACASA-N 1 0 293.323 1.346 20 5 CDBDRO COc1cc(C(=O)N2CC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1C ZINC000422702414 245160876 /nfs/dbraw/zinc/16/08/76/245160876.db2.gz FCLGTNSEGXPCBJ-SNVBAGLBSA-N 1 0 279.296 1.085 20 5 CDBDRO Cc1c(CC(=O)N2CCCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000422772866 245238193 /nfs/dbraw/zinc/23/81/93/245238193.db2.gz ZRMWDYJGLVLUAV-CYBMUJFWSA-N 1 0 291.351 1.786 20 5 CDBDRO COc1cc(C(=O)NCC[C@@H](C)[NH3+])cc([N+](=O)[O-])c1C ZINC000422781296 245249392 /nfs/dbraw/zinc/24/93/92/245249392.db2.gz LMFILFXURNMBPY-MRVPVSSYSA-N 1 0 281.312 1.379 20 5 CDBDRO CC[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000422777569 245244249 /nfs/dbraw/zinc/24/42/49/245244249.db2.gz CKKSLKNQAQVAMP-UHFFFAOYSA-N 1 0 288.307 1.482 20 5 CDBDRO NC(=O)C[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000367981853 371268672 /nfs/dbraw/zinc/26/86/72/371268672.db2.gz FFOSHPIZUGJHJA-JTQLQIEISA-N 1 0 297.742 1.946 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000237246743 189870435 /nfs/dbraw/zinc/87/04/35/189870435.db2.gz IEDKXLDMYIHCKC-MRVPVSSYSA-N 1 0 295.295 1.175 20 5 CDBDRO C[NH2+]CCCC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000237218901 189869358 /nfs/dbraw/zinc/86/93/58/189869358.db2.gz NJPNSALBZSTALZ-UHFFFAOYSA-N 1 0 295.295 1.320 20 5 CDBDRO Cc1ccnc(N2CC[C@H](C)[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000229097524 372104553 /nfs/dbraw/zinc/10/45/53/372104553.db2.gz KABPHWCUEQKZFQ-ONGXEEELSA-N 1 0 264.329 1.719 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCNC1=O ZINC000449108086 372819679 /nfs/dbraw/zinc/81/96/79/372819679.db2.gz PNKDBYYWLPIZAO-ZYHUDNBSSA-N 1 0 277.324 1.394 20 5 CDBDRO COCC[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065535728 373653821 /nfs/dbraw/zinc/65/38/21/373653821.db2.gz CHLMULPQSAXPSW-UHFFFAOYSA-N 1 0 254.286 1.552 20 5 CDBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000272962999 373674089 /nfs/dbraw/zinc/67/40/89/373674089.db2.gz AEOICZZUNGOFHU-VXGBXAGGSA-N 1 0 280.324 1.676 20 5 CDBDRO Cc1c(CC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000423528134 245891296 /nfs/dbraw/zinc/89/12/96/245891296.db2.gz NCPIMCANVVSLCZ-DGCLKSJQSA-N 1 0 291.351 1.641 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000161493442 373765387 /nfs/dbraw/zinc/76/53/87/373765387.db2.gz BMKGNYPKUIIYAM-IUCAKERBSA-N 1 0 295.343 1.270 20 5 CDBDRO Cc1c(CC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000423614145 245939565 /nfs/dbraw/zinc/93/95/65/245939565.db2.gz WTQZCWQCIJSXOA-BETUJISGSA-N 1 0 289.335 1.124 20 5 CDBDRO CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1(C[NH3+])CCC1 ZINC000385428430 374162273 /nfs/dbraw/zinc/16/22/73/374162273.db2.gz DGJBTMQNEPWDAR-VOTSOKGWSA-N 1 0 289.335 1.948 20 5 CDBDRO O=C(NCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298889084 374252470 /nfs/dbraw/zinc/25/24/70/374252470.db2.gz UOKHPHLAMMYLRP-UHFFFAOYSA-N 1 0 280.328 1.529 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417945221 374254751 /nfs/dbraw/zinc/25/47/51/374254751.db2.gz QJXBBAJFWZSZEB-UHFFFAOYSA-N 1 0 280.328 1.174 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCN1CCC1 ZINC000421790056 374332688 /nfs/dbraw/zinc/33/26/88/374332688.db2.gz CKGVXOVWZAJBKB-UHFFFAOYSA-N 1 0 277.324 1.647 20 5 CDBDRO COCC[N@H+](C)CCCNc1c([N+](=O)[O-])c(C)nn1C ZINC000114708807 374346423 /nfs/dbraw/zinc/34/64/23/374346423.db2.gz YIAHQFKXRNGSKO-UHFFFAOYSA-N 1 0 285.348 1.017 20 5 CDBDRO CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000423966371 246258000 /nfs/dbraw/zinc/25/80/00/246258000.db2.gz ZAIYJPAPZZDQCW-ZDUSSCGKSA-N 1 0 293.323 1.169 20 5 CDBDRO CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000423966369 246258153 /nfs/dbraw/zinc/25/81/53/246258153.db2.gz ZAIYJPAPZZDQCW-CYBMUJFWSA-N 1 0 293.323 1.169 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070174853 374655936 /nfs/dbraw/zinc/65/59/36/374655936.db2.gz CZKOTEREMATQRE-MNOVXSKESA-N 1 0 264.329 1.862 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000274430811 374673102 /nfs/dbraw/zinc/67/31/02/374673102.db2.gz NSAHTPDMPXMTMJ-SNVBAGLBSA-N 1 0 292.339 1.272 20 5 CDBDRO C[C@@H](O)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447572949 374703143 /nfs/dbraw/zinc/70/31/43/374703143.db2.gz FFZUNMKHAJLXLR-MXWKQRLJSA-N 1 0 268.317 1.245 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000447903778 374720835 /nfs/dbraw/zinc/72/08/35/374720835.db2.gz IIGRBFNIIPBYEB-YPMHNXCESA-N 1 0 266.297 1.224 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](CO)[C@@H]2CCCO2)cc1 ZINC000447906416 374721998 /nfs/dbraw/zinc/72/19/98/374721998.db2.gz OSFNCOQZYDNFHF-KBPBESRZSA-N 1 0 296.323 1.103 20 5 CDBDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@H](C)O ZINC000449532952 374819202 /nfs/dbraw/zinc/81/92/02/374819202.db2.gz AUOSSXQWHGQCTK-GXSJLCMTSA-N 1 0 298.339 1.861 20 5 CDBDRO CN(CC(C)(C)C[NH3+])C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000093873411 374789487 /nfs/dbraw/zinc/78/94/87/374789487.db2.gz ZJFVXRNJQUHFIQ-UHFFFAOYSA-N 1 0 279.340 1.581 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000330581132 374866497 /nfs/dbraw/zinc/86/64/97/374866497.db2.gz QMXSGWLQFOPAIF-NWDGAFQWSA-N 1 0 281.360 1.206 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]([NH3+])C1 ZINC000020019792 374837129 /nfs/dbraw/zinc/83/71/29/374837129.db2.gz FHXUBOQDUNLTND-SNVBAGLBSA-N 1 0 299.352 1.015 20 5 CDBDRO C[C@H](CC[S@](C)=O)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000125490491 375027829 /nfs/dbraw/zinc/02/78/29/375027829.db2.gz JEONXSIKLBYVDE-CQLKUDPESA-N 1 0 276.383 1.903 20 5 CDBDRO CC1(C)C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000279877607 374972060 /nfs/dbraw/zinc/97/20/60/374972060.db2.gz UFAXGSVOJPSSQK-LBPRGKRZSA-N 1 0 250.298 1.798 20 5 CDBDRO CCN(C)C(=O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282518121 375090336 /nfs/dbraw/zinc/09/03/36/375090336.db2.gz SVAFQNFWFBVTLF-UHFFFAOYSA-N 1 0 279.340 1.547 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000132016256 375395416 /nfs/dbraw/zinc/39/54/16/375395416.db2.gz LQMVHAQXVZVDOV-RKDXNWHRSA-N 1 0 281.287 1.543 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000131840687 375361788 /nfs/dbraw/zinc/36/17/88/375361788.db2.gz TZDGCLPBILENDI-ZJUUUORDSA-N 1 0 263.297 1.404 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000133646648 375807965 /nfs/dbraw/zinc/80/79/65/375807965.db2.gz ZLMAKUOLECAMFR-LBPRGKRZSA-N 1 0 277.324 1.348 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428722566 247354961 /nfs/dbraw/zinc/35/49/61/247354961.db2.gz PZZBLQDEOISRHE-KOLCDFICSA-N 1 0 286.282 1.805 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CCC[N@H+](C)C1 ZINC000356816183 375862405 /nfs/dbraw/zinc/86/24/05/375862405.db2.gz PKJCYVJYFLTCPC-SNVBAGLBSA-N 1 0 280.328 1.100 20 5 CDBDRO C[N@H+](C[C@H](O)CSc1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000357434877 375909007 /nfs/dbraw/zinc/90/90/07/375909007.db2.gz GPHHGUNUXXNIAW-NSHDSACASA-N 1 0 283.353 1.537 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)CCC(F)(F)F ZINC000358268326 375958185 /nfs/dbraw/zinc/95/81/85/375958185.db2.gz AAOQOCXFEAPXNG-UHFFFAOYSA-N 1 0 266.223 1.676 20 5 CDBDRO C[C@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000358258330 375960441 /nfs/dbraw/zinc/96/04/41/375960441.db2.gz SXUXUVWNEVBUHP-FZMZJTMJSA-N 1 0 279.340 1.312 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH+](CC2CC2)CC2CC2)n1 ZINC000357946390 375941551 /nfs/dbraw/zinc/94/15/51/375941551.db2.gz PEVTUBDJVPCRJL-UHFFFAOYSA-N 1 0 264.329 1.913 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000261702265 190042938 /nfs/dbraw/zinc/04/29/38/190042938.db2.gz OIEXKKSJVQOZRJ-DGCLKSJQSA-N 1 0 289.335 1.727 20 5 CDBDRO COCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000171127409 376189261 /nfs/dbraw/zinc/18/92/61/376189261.db2.gz YUOAEYHXJAZUQB-UHFFFAOYSA-N 1 0 299.302 1.042 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000262804499 190063027 /nfs/dbraw/zinc/06/30/27/190063027.db2.gz OEOMEXBSXBIFNP-KOLCDFICSA-N 1 0 292.339 1.213 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000262839347 190063984 /nfs/dbraw/zinc/06/39/84/190063984.db2.gz ITCJHZOGJIMQBB-UWVGGRQHSA-N 1 0 293.323 1.474 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000262880724 190064585 /nfs/dbraw/zinc/06/45/85/190064585.db2.gz NJCOQCDMHKPLCH-ZJUUUORDSA-N 1 0 292.339 1.356 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1C ZINC000262701844 190061563 /nfs/dbraw/zinc/06/15/63/190061563.db2.gz AVYLCYVMJPKSOT-HTQZYQBOSA-N 1 0 269.326 1.479 20 5 CDBDRO CN(CC1CC[NH+](C)CC1)c1ncccc1[N+](=O)[O-] ZINC000264198076 190095419 /nfs/dbraw/zinc/09/54/19/190095419.db2.gz HQBZGFWDQUUHIB-UHFFFAOYSA-N 1 0 264.329 1.768 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433812945 248057761 /nfs/dbraw/zinc/05/77/61/248057761.db2.gz XTLYDUFCQFWDRE-LLVKDONJSA-N 1 0 279.344 1.757 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000436061289 248219814 /nfs/dbraw/zinc/21/98/14/248219814.db2.gz HARJBNDMPZDPOO-NWDGAFQWSA-N 1 0 279.340 1.656 20 5 CDBDRO Cc1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000266040382 190225389 /nfs/dbraw/zinc/22/53/89/190225389.db2.gz CJPSEFQAXFUPHG-SCZZXKLOSA-N 1 0 295.343 1.039 20 5 CDBDRO Cc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000266040383 190225580 /nfs/dbraw/zinc/22/55/80/190225580.db2.gz CJPSEFQAXFUPHG-WCBMZHEXSA-N 1 0 295.343 1.039 20 5 CDBDRO C[NH2+]C[C@H](C)CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000129586457 378419302 /nfs/dbraw/zinc/41/93/02/378419302.db2.gz JWFBPUMPOBDOON-QMMMGPOBSA-N 1 0 263.301 1.739 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H]2CCC[NH2+]2)c1 ZINC000444263519 250109338 /nfs/dbraw/zinc/10/93/38/250109338.db2.gz ACUHHHHIGFKWRC-SNVBAGLBSA-N 1 0 293.323 1.475 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444273573 250113588 /nfs/dbraw/zinc/11/35/88/250113588.db2.gz QXOIQWOLIWQOOA-SNVBAGLBSA-N 1 0 293.323 1.475 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCN2CCCOCC2)c1 ZINC000289460451 197358539 /nfs/dbraw/zinc/35/85/39/197358539.db2.gz OJIYHZGMPFEYHI-UHFFFAOYSA-N 1 0 279.340 1.407 20 5 CDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000174646170 379547917 /nfs/dbraw/zinc/54/79/17/379547917.db2.gz FLQIRUIISIEAKT-CYBMUJFWSA-N 1 0 282.344 1.417 20 5 CDBDRO CC(C)[NH2+]C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174845585 379591913 /nfs/dbraw/zinc/59/19/13/379591913.db2.gz BSKKRUSNQJWYIX-UHFFFAOYSA-N 1 0 281.360 1.254 20 5 CDBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H]2COCCO2)C2CC2)c1 ZINC000450500488 251313729 /nfs/dbraw/zinc/31/37/29/251313729.db2.gz NEBNLKXKFFSCNC-OAHLLOKOSA-N 1 0 292.335 1.975 20 5 CDBDRO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000450669098 251396084 /nfs/dbraw/zinc/39/60/84/251396084.db2.gz BAOAZLXAULWACI-OASPWFOLSA-N 1 0 266.297 1.659 20 5 CDBDRO C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000452572893 252099120 /nfs/dbraw/zinc/09/91/20/252099120.db2.gz LBWNESAKAWZVMN-SUNKGSAMSA-N 1 0 291.351 1.970 20 5 CDBDRO CCOc1cc(C[NH2+][C@](C)(CC)C(N)=O)ccc1[N+](=O)[O-] ZINC000492723813 253280975 /nfs/dbraw/zinc/28/09/75/253280975.db2.gz QRXAPEKEWXVMBS-CQSZACIVSA-N 1 0 295.339 1.737 20 5 CDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)/C=C\C[NH+](C)C ZINC000492880511 253315708 /nfs/dbraw/zinc/31/57/08/253315708.db2.gz LNUWWRDTXYEXSF-TWGQIWQCSA-N 1 0 291.351 1.714 20 5 CDBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C3CC3)CC2)nc1 ZINC000273590503 285180277 /nfs/dbraw/zinc/18/02/77/285180277.db2.gz HGPVHBPULWCCOA-UHFFFAOYSA-N 1 0 263.301 1.424 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCSC[C@@H]2C2CC2)n1 ZINC000451645283 390639225 /nfs/dbraw/zinc/63/92/25/390639225.db2.gz CHQRWNCVYWIHDP-LLVKDONJSA-N 1 0 282.369 1.619 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@H]2C1 ZINC000362670674 390859052 /nfs/dbraw/zinc/85/90/52/390859052.db2.gz WOPARLSBKZEQHU-PHIMTYICSA-N 1 0 299.334 1.536 20 5 CDBDRO CCc1ccc(C(=O)NCC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000178692710 390868455 /nfs/dbraw/zinc/86/84/55/390868455.db2.gz ZVFVUJQCAMRTJM-SECBINFHSA-N 1 0 265.313 1.624 20 5 CDBDRO CN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000179059444 390938636 /nfs/dbraw/zinc/93/86/36/390938636.db2.gz ZJCNUGMEYWWGFW-LLVKDONJSA-N 1 0 292.339 1.217 20 5 CDBDRO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C[NH3+])C1 ZINC000235659328 390905818 /nfs/dbraw/zinc/90/58/18/390905818.db2.gz ZSWLCCHMXYZILB-DTWKUNHWSA-N 1 0 267.285 1.387 20 5 CDBDRO C[C@H]1CCC(C)(C)[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000452013649 390977874 /nfs/dbraw/zinc/97/78/74/390977874.db2.gz SWFINNUHMOOVHQ-CMPLNLGQSA-N 1 0 282.344 1.415 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000449640279 391125205 /nfs/dbraw/zinc/12/52/05/391125205.db2.gz AXPITJJPNMZDIQ-JOYOIKCWSA-N 1 0 295.314 1.981 20 5 CDBDRO Cc1cccc(C(=O)NC[C@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000237567327 391252756 /nfs/dbraw/zinc/25/27/56/391252756.db2.gz BVSCYWMYJLCZDG-MRVPVSSYSA-N 1 0 251.286 1.228 20 5 CDBDRO O=C(NCCCCC[NH+]1CCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000574270299 391276474 /nfs/dbraw/zinc/27/64/74/391276474.db2.gz IKDYNUVQNHBTGP-UHFFFAOYSA-N 1 0 295.343 1.314 20 5 CDBDRO Cc1cc(NC(=O)N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000415423332 391411103 /nfs/dbraw/zinc/41/11/03/391411103.db2.gz YHGJKZQCKHTFNL-UHFFFAOYSA-N 1 0 264.285 1.340 20 5 CDBDRO C[C@H](O)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000351514017 391380454 /nfs/dbraw/zinc/38/04/54/391380454.db2.gz ARNBLKLPTWFRTH-TUAOUCFPSA-N 1 0 282.344 1.636 20 5 CDBDRO C[C@H]1C[C@H](C)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000341581603 391490871 /nfs/dbraw/zinc/49/08/71/391490871.db2.gz HDDNINNHMZTCOS-QWRGUYRKSA-N 1 0 265.313 1.487 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCCC[NH3+] ZINC000415510825 391468499 /nfs/dbraw/zinc/46/84/99/391468499.db2.gz ZYVZPBZTSQPCFM-UHFFFAOYSA-N 1 0 282.300 1.464 20 5 CDBDRO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415636542 391470451 /nfs/dbraw/zinc/47/04/51/391470451.db2.gz XSNREDGKOJOUPC-HQJQHLMTSA-N 1 0 282.275 1.687 20 5 CDBDRO CNc1ccc(C(=O)N(C)C2(C[NH3+])CCC2)cc1[N+](=O)[O-] ZINC000567911906 391546985 /nfs/dbraw/zinc/54/69/85/391546985.db2.gz BUQOFEOTFDNBGF-UHFFFAOYSA-N 1 0 292.339 1.590 20 5 CDBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCCS(=O)(=O)C2)c1 ZINC000341894709 130136846 /nfs/dbraw/zinc/13/68/46/130136846.db2.gz FGPYHGHRBRQBJR-LBPRGKRZSA-N 1 0 298.364 1.304 20 5 CDBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000341984811 130208941 /nfs/dbraw/zinc/20/89/41/130208941.db2.gz MBRKAJNZASDSIT-ZWNOBZJWSA-N 1 0 277.324 1.409 20 5 CDBDRO CS[C@H]1CN(c2ncccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270412888 391779291 /nfs/dbraw/zinc/77/92/91/391779291.db2.gz XYCDGCVVNLMQMT-QWRGUYRKSA-N 1 0 282.369 1.472 20 5 CDBDRO CCOC[C@@H]1CCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000354402441 391918908 /nfs/dbraw/zinc/91/89/08/391918908.db2.gz HTUGWOOTHADHBP-AAEUAGOBSA-N 1 0 282.344 1.586 20 5 CDBDRO C[C@H](O)CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488714085 392721361 /nfs/dbraw/zinc/72/13/61/392721361.db2.gz MVVVJZWLRBRFQT-NSHDSACASA-N 1 0 282.344 1.589 20 5 CDBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])c(C)n1 ZINC000297418930 392897099 /nfs/dbraw/zinc/89/70/99/392897099.db2.gz HAVGIXQGNBJJDN-VXGBXAGGSA-N 1 0 291.355 1.756 20 5 CDBDRO CCC[C@@H]1C[NH2+]CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000420230988 392908352 /nfs/dbraw/zinc/90/83/52/392908352.db2.gz JIQKVNXYGISWMO-SECBINFHSA-N 1 0 295.368 1.882 20 5 CDBDRO [NH3+]CCCCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000420226607 392908441 /nfs/dbraw/zinc/90/84/41/392908441.db2.gz AMKZPVBLVYETNK-UHFFFAOYSA-N 1 0 260.297 1.716 20 5 CDBDRO C[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)C[NH+](C)C ZINC000489027641 392867989 /nfs/dbraw/zinc/86/79/89/392867989.db2.gz SSOYJJDLHYSXJE-SNVBAGLBSA-N 1 0 289.339 1.570 20 5 CDBDRO COc1ccc(CNC(=O)[C@@H]([NH3+])C2CCC2)cc1[N+](=O)[O-] ZINC000423064156 392958255 /nfs/dbraw/zinc/95/82/55/392958255.db2.gz QQTSPWXVRFUQNS-ZDUSSCGKSA-N 1 0 293.323 1.347 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000423679179 392967076 /nfs/dbraw/zinc/96/70/76/392967076.db2.gz LSRFWMHAYNYKQA-MNOVXSKESA-N 1 0 279.340 1.986 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H](C[NH3+])C1 ZINC000430947089 393106671 /nfs/dbraw/zinc/10/66/71/393106671.db2.gz CYIRHDUXGUJJPV-NSHDSACASA-N 1 0 292.339 1.122 20 5 CDBDRO C[NH+](C)C1CN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000276702617 393120093 /nfs/dbraw/zinc/12/00/93/393120093.db2.gz XPYMVTBKVIUGEN-UHFFFAOYSA-N 1 0 272.308 1.893 20 5 CDBDRO COC[C@@H](CCO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449155806 393131308 /nfs/dbraw/zinc/13/13/08/393131308.db2.gz MGJAHYHRTOYBMZ-WCQYABFASA-N 1 0 282.340 1.513 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449605667 393135526 /nfs/dbraw/zinc/13/55/26/393135526.db2.gz WVVUJMAPMJZQCP-QWRGUYRKSA-N 1 0 279.340 1.640 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135638560 139888466 /nfs/dbraw/zinc/88/84/66/139888466.db2.gz VKVRGOGRQMCQLH-UHFFFAOYSA-N 1 0 255.249 1.025 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000149421982 139901161 /nfs/dbraw/zinc/90/11/61/139901161.db2.gz JAUHKCOWHXNOCO-QMMMGPOBSA-N 1 0 270.720 1.689 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CCC[NH2+]CC1 ZINC000231469693 140216420 /nfs/dbraw/zinc/21/64/20/140216420.db2.gz ZPWUNHSPJFFVPZ-SECBINFHSA-N 1 0 266.301 1.137 20 5 CDBDRO C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251882116 140314607 /nfs/dbraw/zinc/31/46/07/140314607.db2.gz UWNKNHTWSSNKBB-WCBMZHEXSA-N 1 0 255.343 1.825 20 5 CDBDRO O=[N+]([O-])c1cccc(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000252666699 140321676 /nfs/dbraw/zinc/32/16/76/140321676.db2.gz ASELPBHSONJWDK-LSDHHAIUSA-N 1 0 291.351 1.548 20 5 CDBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1[NH3+] ZINC000261575800 140354153 /nfs/dbraw/zinc/35/41/53/140354153.db2.gz BTQICWUOBJQIEB-RNCFNFMXSA-N 1 0 267.304 1.903 20 5 CDBDRO C[NH2+]CCN(C)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000261581540 140356131 /nfs/dbraw/zinc/35/61/31/140356131.db2.gz QQYBMRFFUCCELM-UHFFFAOYSA-N 1 0 267.314 1.255 20 5 CDBDRO C[C@H]1CC[NH2+][C@H](C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000423227167 397603021 /nfs/dbraw/zinc/60/30/21/397603021.db2.gz URUCMIYJZVCLRW-AAEUAGOBSA-N 1 0 291.351 1.642 20 5 CDBDRO CCOCC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000093313802 147043761 /nfs/dbraw/zinc/04/37/61/147043761.db2.gz ZMXLDJQHUSGAEL-UHFFFAOYSA-N 1 0 295.339 1.892 20 5 CDBDRO COc1ccc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000168697643 147759597 /nfs/dbraw/zinc/75/95/97/147759597.db2.gz NCLRPJYRPAJQAK-ONGXEEELSA-N 1 0 293.323 1.413 20 5 CDBDRO NC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182132046 148241928 /nfs/dbraw/zinc/24/19/28/148241928.db2.gz UGTVUUYXFJEVOA-VIFPVBQESA-N 1 0 283.715 1.555 20 5 CDBDRO C[C@]1(C[NH3+])CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000262075352 149010662 /nfs/dbraw/zinc/01/06/62/149010662.db2.gz SSNSJYQMTZYPEE-OAHLLOKOSA-N 1 0 291.351 1.725 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2CCO)cc1 ZINC000311456244 149214424 /nfs/dbraw/zinc/21/44/24/149214424.db2.gz DPCBXUGJRWGWOT-CYBMUJFWSA-N 1 0 264.325 1.984 20 5 CDBDRO COc1ccc(C[N@@H+]2CCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000312856185 149239596 /nfs/dbraw/zinc/23/95/96/149239596.db2.gz PULRLPREAIPOKW-LBPRGKRZSA-N 1 0 280.324 1.950 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000324820058 292932536 /nfs/dbraw/zinc/93/25/36/292932536.db2.gz VXFSPBUTSZJZEP-KGLIPLIRSA-N 1 0 294.355 1.321 20 5 CDBDRO C[C@H]1[C@H](NC(=O)c2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343418131 152165279 /nfs/dbraw/zinc/16/52/79/152165279.db2.gz BCNMMORPJRQPQP-CMPLNLGQSA-N 1 0 277.324 1.807 20 5 CDBDRO [NH3+][C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000346630402 153250822 /nfs/dbraw/zinc/25/08/22/153250822.db2.gz BYCSZGIRPSIFOQ-VIFPVBQESA-N 1 0 287.266 1.729 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000349934562 154276014 /nfs/dbraw/zinc/27/60/14/154276014.db2.gz HUUPIQMXUQCQFY-QMMMGPOBSA-N 1 0 285.731 1.644 20 5 CDBDRO Cc1ccc(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000375248203 160357462 /nfs/dbraw/zinc/35/74/62/160357462.db2.gz DMGPBAKGJVMEKU-SMDDNHRTSA-N 1 0 275.308 1.841 20 5 CDBDRO COC[C@@H](CC(C)C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000358322213 157917087 /nfs/dbraw/zinc/91/70/87/157917087.db2.gz SOPMKEGUQGXXED-LLVKDONJSA-N 1 0 270.333 1.442 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CO)C2CCOCC2)cc1 ZINC000359892978 158408552 /nfs/dbraw/zinc/40/85/52/158408552.db2.gz IWCCGBCQMZTOGM-OAHLLOKOSA-N 1 0 294.351 1.514 20 5 CDBDRO CCOC[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000361892624 159010621 /nfs/dbraw/zinc/01/06/21/159010621.db2.gz LTWWMJCCBBOHLL-NEPJUHHUSA-N 1 0 282.340 1.951 20 5 CDBDRO CCO[C@H]1COCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000362015809 159039381 /nfs/dbraw/zinc/03/93/81/159039381.db2.gz OUMPYWYVYJXEQT-GJZGRUSLSA-N 1 0 294.351 1.921 20 5 CDBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000362025395 159042521 /nfs/dbraw/zinc/04/25/21/159042521.db2.gz KWIWMOWCSPFTCW-TZMCWYRMSA-N 1 0 280.324 1.878 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373061228 160169428 /nfs/dbraw/zinc/16/94/28/160169428.db2.gz YXDTZAOFGMGXMA-BXUZGUMPSA-N 1 0 289.335 1.727 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000040596194 174349074 /nfs/dbraw/zinc/34/90/74/174349074.db2.gz DDIQDFOHUBKYIS-LBPRGKRZSA-N 1 0 291.351 1.975 20 5 CDBDRO Cc1cc(C(=O)N2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000041028682 174453422 /nfs/dbraw/zinc/45/34/22/174453422.db2.gz PYYLBQQDYXWNSR-LLVKDONJSA-N 1 0 263.297 1.467 20 5 CDBDRO O=C(CC[C@@H]1CCC[NH2+]C1)NCc1ccc([N+](=O)[O-])cc1 ZINC000043588852 175072912 /nfs/dbraw/zinc/07/29/12/175072912.db2.gz BEYJLZZUCQQZAD-LBPRGKRZSA-N 1 0 291.351 1.991 20 5 CDBDRO O=C(NC[C@H]1CCCC[NH2+]1)Nc1cccc([N+](=O)[O-])c1 ZINC000044492352 175180892 /nfs/dbraw/zinc/18/08/92/175180892.db2.gz WYJIOMOOGRTHBH-LLVKDONJSA-N 1 0 278.312 1.858 20 5 CDBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000044492300 175180955 /nfs/dbraw/zinc/18/09/55/175180955.db2.gz LJQNLNQOPIHODP-SNVBAGLBSA-N 1 0 263.297 1.467 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCN(C3CC3)C2)cc1 ZINC000044685246 175230760 /nfs/dbraw/zinc/23/07/60/175230760.db2.gz CLOPDCAJJYTCCD-LBPRGKRZSA-N 1 0 261.325 1.921 20 5 CDBDRO CC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)COC1 ZINC000079473977 177497177 /nfs/dbraw/zinc/49/71/77/177497177.db2.gz XVVHTIHIHCRVKR-UHFFFAOYSA-N 1 0 250.298 1.763 20 5 CDBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286610550 196655961 /nfs/dbraw/zinc/65/59/61/196655961.db2.gz XXDBGNNPXCNLCY-UHFFFAOYSA-N 1 0 297.359 1.512 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000313345853 260285717 /nfs/dbraw/zinc/28/57/17/260285717.db2.gz SKPYQZHKWVQOID-WFXONIBUSA-N 1 0 289.335 1.804 20 5 CDBDRO C[C@@H]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H]1C[NH3+] ZINC000397370272 270349683 /nfs/dbraw/zinc/34/96/83/270349683.db2.gz GZIJZEHDWIAGNR-UTLUCORTSA-N 1 0 280.328 1.368 20 5 CDBDRO Cc1nn(C)c(NCC2([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000397885618 270352888 /nfs/dbraw/zinc/35/28/88/270352888.db2.gz IRTFSNHZSPCZFI-UHFFFAOYSA-N 1 0 253.306 1.143 20 5 CDBDRO C[C@@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000275510245 274370584 /nfs/dbraw/zinc/37/05/84/274370584.db2.gz MIPRJFUMXUNLSE-LLVKDONJSA-N 1 0 294.355 1.271 20 5 CDBDRO Cc1cc(N2CC[C@@H](C)[C@@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000229095900 274709143 /nfs/dbraw/zinc/70/91/43/274709143.db2.gz AWHQUYBVZKSFEB-KOLCDFICSA-N 1 0 264.329 1.719 20 5 CDBDRO Cc1cc(N2CC[C@H]([NH3+])[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000227075766 274710964 /nfs/dbraw/zinc/71/09/64/274710964.db2.gz FLWLNDAGWRIOGH-UWVGGRQHSA-N 1 0 250.302 1.472 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[NH+](C3CCCCC3)CC2)nc1 ZINC000273996346 275040858 /nfs/dbraw/zinc/04/08/58/275040858.db2.gz SHHSLJGTKAPQTH-UHFFFAOYSA-N 1 0 291.355 1.840 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354742762 276103679 /nfs/dbraw/zinc/10/36/79/276103679.db2.gz VCWJQOHVCOTVSN-SNVBAGLBSA-N 1 0 294.355 1.637 20 5 CDBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000452038469 276467054 /nfs/dbraw/zinc/46/70/54/276467054.db2.gz YBPULXCSDDYUOY-ZYHUDNBSSA-N 1 0 282.344 1.766 20 5 CDBDRO CC[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[NH+](C)C ZINC000332711807 276542177 /nfs/dbraw/zinc/54/21/77/276542177.db2.gz LKYTVEVSRVQGTM-CYBMUJFWSA-N 1 0 292.339 1.215 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000273705443 277070584 /nfs/dbraw/zinc/07/05/84/277070584.db2.gz DJYNFBGSJYVRLW-PWSUYJOCSA-N 1 0 277.328 1.305 20 5 CDBDRO COCC[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000447074909 277557129 /nfs/dbraw/zinc/55/71/29/277557129.db2.gz IJXBFQBMWGDDHA-AWEZNQCLSA-N 1 0 280.324 1.880 20 5 CDBDRO C[C@H](CC(N)=O)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447582013 278165875 /nfs/dbraw/zinc/16/58/75/278165875.db2.gz XCDUDEHXPRTEHH-VWYCJHECSA-N 1 0 295.343 1.129 20 5 CDBDRO C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N(C)C ZINC000447538334 278210628 /nfs/dbraw/zinc/21/06/28/278210628.db2.gz BDYVOEKMMHEUQY-FRRDWIJNSA-N 1 0 295.387 1.815 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCn1ccnn1 ZINC000449239848 278298457 /nfs/dbraw/zinc/29/84/57/278298457.db2.gz LJPZXDJEADCMRN-LBPRGKRZSA-N 1 0 289.339 1.797 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000430618228 278313187 /nfs/dbraw/zinc/31/31/87/278313187.db2.gz RYMLUKFYYCEVCD-ZJUUUORDSA-N 1 0 267.333 1.030 20 5 CDBDRO CC[NH+](CC)CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282475477 279086462 /nfs/dbraw/zinc/08/64/62/279086462.db2.gz LBMFMSDZNOPTJK-UHFFFAOYSA-N 1 0 293.367 1.938 20 5 CDBDRO CC[N@H+](C)CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000066988560 279202137 /nfs/dbraw/zinc/20/21/37/279202137.db2.gz AXFOZVYSDHXMDE-LLVKDONJSA-N 1 0 294.355 1.907 20 5 CDBDRO CC(C)n1cc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000090539868 279278709 /nfs/dbraw/zinc/27/87/09/279278709.db2.gz BHCVZVDQCAZCLH-LLVKDONJSA-N 1 0 292.343 1.920 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000214045104 280087421 /nfs/dbraw/zinc/08/74/21/280087421.db2.gz WQZBWWFBIBHHOV-SREVYHEPSA-N 1 0 263.297 1.462 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000237166598 280161721 /nfs/dbraw/zinc/16/17/21/280161721.db2.gz VNZVEAJTEBKDRP-VIFPVBQESA-N 1 0 281.312 1.189 20 5 CDBDRO C[NH2+]CCN(C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000237324167 280171030 /nfs/dbraw/zinc/17/10/30/280171030.db2.gz PPMANMXJSJFDHK-GQCTYLIASA-N 1 0 281.287 1.425 20 5 CDBDRO C[C@H](CO)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000248940417 280396014 /nfs/dbraw/zinc/39/60/14/280396014.db2.gz NYGPFWHICODVBC-MNOVXSKESA-N 1 0 268.313 1.158 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000517330974 280997188 /nfs/dbraw/zinc/99/71/88/280997188.db2.gz PKGKULCIGQUXHU-LBPRGKRZSA-N 1 0 292.339 1.983 20 5 CDBDRO CC[C@H](O)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000421889426 281002992 /nfs/dbraw/zinc/00/29/92/281002992.db2.gz XDMNWVUKYGIQCG-SDDRHHMPSA-N 1 0 282.344 1.636 20 5 CDBDRO C[C@H](CCO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449155604 289497785 /nfs/dbraw/zinc/49/77/85/289497785.db2.gz BOKPXQADHWUWPB-GHMZBOCLSA-N 1 0 252.314 1.886 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[NH2+]CC1 ZINC000568608404 294066245 /nfs/dbraw/zinc/06/62/45/294066245.db2.gz OBPZCETXISTRLJ-UHFFFAOYSA-N 1 0 278.312 1.100 20 5 CDBDRO Cc1nc(NC[C@@H]2CC[N@@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000570789478 294307499 /nfs/dbraw/zinc/30/74/99/294307499.db2.gz STPKECRRHGTNAF-JTQLQIEISA-N 1 0 277.328 1.011 20 5 CDBDRO CCOc1cc(OCCC[NH2+]C)ccc1[N+](=O)[O-] ZINC000574688146 295038607 /nfs/dbraw/zinc/03/86/07/295038607.db2.gz GPVIXLFSEOXJPH-UHFFFAOYSA-N 1 0 254.286 1.982 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)CCC[NH3+])c1 ZINC000569686198 316826708 /nfs/dbraw/zinc/82/67/08/316826708.db2.gz YHXNCNGPSCLSPG-UHFFFAOYSA-N 1 0 295.339 1.851 20 5 CDBDRO CNc1ccc(C(=O)NC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000576517368 317153541 /nfs/dbraw/zinc/15/35/41/317153541.db2.gz JVJAAFDEUTWFPZ-JTQLQIEISA-N 1 0 292.339 1.366 20 5 CDBDRO Cc1ccc(C(=O)N[C@@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000381386568 323626365 /nfs/dbraw/zinc/62/63/65/323626365.db2.gz QSKUYXCVAFLBAZ-IUCAKERBSA-N 1 0 251.286 1.369 20 5 CDBDRO CN(C(=O)/C=C\c1cccc([N+](=O)[O-])c1)C1(C[NH3+])CCC1 ZINC000385428429 323706499 /nfs/dbraw/zinc/70/64/99/323706499.db2.gz DGJBTMQNEPWDAR-SREVYHEPSA-N 1 0 289.335 1.948 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000387684981 323776881 /nfs/dbraw/zinc/77/68/81/323776881.db2.gz TVMBSPOQWYIDAV-WSKFYRRCSA-N 1 0 277.324 1.722 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000583094942 325106951 /nfs/dbraw/zinc/10/69/51/325106951.db2.gz RZDUSUKHYWDNIW-NEPJUHHUSA-N 1 0 279.340 1.963 20 5 CDBDRO [NH3+]CC1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000583311549 325148716 /nfs/dbraw/zinc/14/87/16/325148716.db2.gz OLKWGXHRAWMPNZ-UHFFFAOYSA-N 1 0 292.339 1.475 20 5 CDBDRO Cc1nc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)ncc1[N+](=O)[O-] ZINC000583802731 325243130 /nfs/dbraw/zinc/24/31/30/325243130.db2.gz ITAINLDWBRDBIM-AOOOYVTPSA-N 1 0 263.301 1.024 20 5 CDBDRO Cc1cnc(-n2ccc(C[NH3+])cc2=N)cc1[N+](=O)[O-] ZINC001167689972 1159425945 /nfs/dbraw/zinc/42/59/45/1159425945.db2.gz MGSHYMPQCLOZCO-UHFFFAOYSA-N 1 0 259.269 1.027 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000148787827 1159862723 /nfs/dbraw/zinc/86/27/23/1159862723.db2.gz AJUMUTPZVSRSCT-MRVPVSSYSA-N 1 0 285.731 1.834 20 5 CDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[NH2+]CC1 ZINC000417941934 534472069 /nfs/dbraw/zinc/47/20/69/534472069.db2.gz NJWBVUGUFROPRT-UHFFFAOYSA-N 1 0 292.339 1.142 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000053201950 522384420 /nfs/dbraw/zinc/38/44/20/522384420.db2.gz VUUYLTZEPPUURK-SECBINFHSA-N 1 0 269.326 1.480 20 5 CDBDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](CO)O1)c1ccc([N+](=O)[O-])cc1 ZINC000340416441 525394664 /nfs/dbraw/zinc/39/46/64/525394664.db2.gz NAOAHADTSKUEOK-LEWSCRJBSA-N 1 0 280.324 1.785 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000307906197 527793806 /nfs/dbraw/zinc/79/38/06/527793806.db2.gz BPHXYNYDKQZKRW-GFCCVEGCSA-N 1 0 277.324 1.394 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000424055881 535022624 /nfs/dbraw/zinc/02/26/24/535022624.db2.gz JTWQQIOGVDFGDU-UHFFFAOYSA-N 1 0 297.380 1.931 20 5 CDBDRO CCCC[N@H+](C)CCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342173459 535225515 /nfs/dbraw/zinc/22/55/15/535225515.db2.gz YFFYGBZCKHAWIX-UHFFFAOYSA-N 1 0 294.355 1.838 20 5 CDBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000076266989 535521142 /nfs/dbraw/zinc/52/11/42/535521142.db2.gz UQZJUDPIMLRUPZ-SNVBAGLBSA-N 1 0 296.375 1.889 20 5 CDBDRO CCc1ccc(C(=O)N(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000424000467 536163891 /nfs/dbraw/zinc/16/38/91/536163891.db2.gz FMWTXKQSVQHKRQ-UHFFFAOYSA-N 1 0 251.286 1.188 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H](CO)C1CC1 ZINC000771816576 575702583 /nfs/dbraw/zinc/70/25/83/575702583.db2.gz YOKMYBMWMJVOMD-LLVKDONJSA-N 1 0 254.261 1.594 20 5 CDBDRO C[S@@](=O)CCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000735085234 575423056 /nfs/dbraw/zinc/42/30/56/575423056.db2.gz MOGVHRKKAZDCLP-BQHGXPCASA-N 1 0 282.365 1.966 20 5 CDBDRO O=c1c([N+](=O)[O-])cn(CC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000768461705 576286777 /nfs/dbraw/zinc/28/67/77/576286777.db2.gz FTFOMHZWEOOBDV-UHFFFAOYSA-N 1 0 296.283 1.151 20 5 CDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000744351899 576677061 /nfs/dbraw/zinc/67/70/61/576677061.db2.gz YPTLGWQVSOYYQU-JTQLQIEISA-N 1 0 280.328 1.147 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000054370912 678247017 /nfs/dbraw/zinc/24/70/17/678247017.db2.gz DLKXTJLVDIPPGX-SECBINFHSA-N 1 0 264.285 1.420 20 5 CDBDRO O=C(NC[C@H]1CC[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000133705669 678315166 /nfs/dbraw/zinc/31/51/66/678315166.db2.gz RXWZTTLFNXRUFY-VIFPVBQESA-N 1 0 264.285 1.326 20 5 CDBDRO Cc1ccc(CNC(=O)N[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000892002250 617401167 /nfs/dbraw/zinc/40/11/67/617401167.db2.gz MTFGXNHTJISVHO-LLVKDONJSA-N 1 0 278.312 1.064 20 5 CDBDRO COc1c(O)ccc(C[NH2+]CC[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000892534529 617483153 /nfs/dbraw/zinc/48/31/53/617483153.db2.gz NLQGOPVKQAFDRI-LLVKDONJSA-N 1 0 296.323 1.968 20 5 CDBDRO Cc1c(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cccc1[N+](=O)[O-] ZINC000782623590 617528347 /nfs/dbraw/zinc/52/83/47/617528347.db2.gz ZGVZMWAZMXJTFK-GXTWGEPZSA-N 1 0 262.309 1.717 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@H]3C[C@@]3(CO)C2)cc1 ZINC000782632417 617533349 /nfs/dbraw/zinc/53/33/49/617533349.db2.gz KIFYXDSBALHJSK-OCCSQVGLSA-N 1 0 262.309 1.452 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NCC1CC[NH+](C)CC1 ZINC000892257425 617582694 /nfs/dbraw/zinc/58/26/94/617582694.db2.gz IGNYVYCAGUMGSL-UHFFFAOYSA-N 1 0 280.328 1.752 20 5 CDBDRO CC[C@@H](CNc1c([N+](=O)[O-])cnn1C)[NH+]1CCCC1 ZINC000891810236 617602632 /nfs/dbraw/zinc/60/26/32/617602632.db2.gz RJGJTBDPRVKNRE-JTQLQIEISA-N 1 0 267.333 1.615 20 5 CDBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1 ZINC000776591993 617684844 /nfs/dbraw/zinc/68/48/44/617684844.db2.gz NXBQUGCHUYMRAL-BXUZGUMPSA-N 1 0 280.324 1.597 20 5 CDBDRO C[C@@H]1C[C@H](Nc2c([N+](=O)[O-])cnn2C)C[N@@H+]1C1CC1 ZINC000892875633 617853240 /nfs/dbraw/zinc/85/32/40/617853240.db2.gz HHEPYFUTWGSHJL-BDAKNGLRSA-N 1 0 265.317 1.365 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000893871297 618114985 /nfs/dbraw/zinc/11/49/85/618114985.db2.gz JENKVCTWVWDNLF-LHRNQBEKSA-N 1 0 289.335 1.818 20 5 CDBDRO Cc1cc(N2CC[C@H]3C[N@@H+](C)C[C@@H]32)ncc1[N+](=O)[O-] ZINC000893940334 618203204 /nfs/dbraw/zinc/20/32/04/618203204.db2.gz MVXLZKUUIRJNAO-JQWIXIFHSA-N 1 0 262.313 1.439 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000894476608 618910193 /nfs/dbraw/zinc/91/01/93/618910193.db2.gz QTGWUFKDTGKFCE-SECBINFHSA-N 1 0 267.333 1.613 20 5 CDBDRO CCC[N@@H+]1CC[C@H](Nc2c([N+](=O)[O-])cnn2C)C1 ZINC000894594044 618985842 /nfs/dbraw/zinc/98/58/42/618985842.db2.gz YCRPLBLCTKBSIP-VIFPVBQESA-N 1 0 253.306 1.225 20 5 CDBDRO CCOCCOCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927087661 621697973 /nfs/dbraw/zinc/69/79/73/621697973.db2.gz PNCDONFCOYSBPG-NSHDSACASA-N 1 0 297.355 1.881 20 5 CDBDRO CN1CC[C@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000903316367 625970318 /nfs/dbraw/zinc/97/03/18/625970318.db2.gz OJLUTPBVJRMYJF-GWCFXTLKSA-N 1 0 261.325 1.876 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCCCOc1ccc(F)cc1 ZINC000905026268 626390488 /nfs/dbraw/zinc/39/04/88/626390488.db2.gz NTWQJJFIWACYQN-UHFFFAOYSA-N 1 0 256.277 1.851 20 5 CDBDRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905102122 626620549 /nfs/dbraw/zinc/62/05/49/626620549.db2.gz QUVXJYRKIYZIBV-JTQLQIEISA-N 1 0 273.333 1.252 20 5 CDBDRO C[C@H]1C[C@@H](NCC[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000905152495 626638241 /nfs/dbraw/zinc/63/82/41/626638241.db2.gz DXTVJBZLIAKMGU-ZFWWWQNUSA-N 1 0 277.368 1.906 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000905202978 626690198 /nfs/dbraw/zinc/69/01/98/626690198.db2.gz UIUKQLUWMYBQPA-NSHDSACASA-N 1 0 269.732 1.785 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000911659827 629380349 /nfs/dbraw/zinc/38/03/49/629380349.db2.gz FHKGLIYXTDATJH-RAIGVLPGSA-N 1 0 275.308 1.258 20 5 CDBDRO C[NH2+]CCCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911676825 629408112 /nfs/dbraw/zinc/40/81/12/629408112.db2.gz LTGSZIQDGWJHDK-CHWSQXEVSA-N 1 0 277.324 1.424 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881960197 678950483 /nfs/dbraw/zinc/95/04/83/678950483.db2.gz IFKURVBFEBJRDA-VIFPVBQESA-N 1 0 268.292 1.883 20 5 CDBDRO COCCCC[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886249560 677712365 /nfs/dbraw/zinc/71/23/65/677712365.db2.gz NHLRPMLXSMIUTQ-UHFFFAOYSA-N 1 0 253.302 1.848 20 5 CDBDRO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000852702190 677862373 /nfs/dbraw/zinc/86/23/73/677862373.db2.gz HXLGALBLARMVQO-UGFHNGPFSA-N 1 0 294.351 1.579 20 5 CDBDRO CN(CCC[NH3+])C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000122212759 677894227 /nfs/dbraw/zinc/89/42/27/677894227.db2.gz JRRUHLHRBWFSQD-VMPITWQZSA-N 1 0 263.297 1.415 20 5 CDBDRO C[C@H]([NH3+])c1cn(Cc2c(F)cc([N+](=O)[O-])cc2F)nn1 ZINC000881353029 677962226 /nfs/dbraw/zinc/96/22/26/677962226.db2.gz DXKNWIPFNWVGSD-LURJTMIESA-N 1 0 283.238 1.533 20 5 CDBDRO CC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@@H](C)O ZINC000834889613 678057503 /nfs/dbraw/zinc/05/75/03/678057503.db2.gz YFNKPKKSNOECKQ-LNLATYFQSA-N 1 0 267.329 1.987 20 5 CDBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000158620352 678058731 /nfs/dbraw/zinc/05/87/31/678058731.db2.gz JPWOQWJEDQSVCC-BPNCWPANSA-N 1 0 280.324 1.785 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](C[NH3+])C1 ZINC000052813044 678145353 /nfs/dbraw/zinc/14/53/53/678145353.db2.gz QWBOLXUCTMKROL-SNVBAGLBSA-N 1 0 250.302 1.473 20 5 CDBDRO C[C@]1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000819060663 679674963 /nfs/dbraw/zinc/67/49/63/679674963.db2.gz KHVUECCSQQXHRG-UONOGXRCSA-N 1 0 280.324 1.644 20 5 CDBDRO COC[C@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000802660060 679677713 /nfs/dbraw/zinc/67/77/13/679677713.db2.gz ZIGGOQBCTBKBAC-SECBINFHSA-N 1 0 274.704 1.345 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCSCC2)cc1 ZINC000776278807 679685170 /nfs/dbraw/zinc/68/51/70/679685170.db2.gz VZIAWCJSBCJRBU-GFCCVEGCSA-N 1 0 268.338 1.677 20 5 CDBDRO C[NH+](C)CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865401252 679692423 /nfs/dbraw/zinc/69/24/23/679692423.db2.gz LMPZZBRWZIVVFL-UHFFFAOYSA-N 1 0 257.265 1.200 20 5 CDBDRO CC(C)(Cn1cc(C[NH2+]C2CCCCC2)nn1)[N+](=O)[O-] ZINC000864642884 677737025 /nfs/dbraw/zinc/73/70/25/677737025.db2.gz YYYZOOPSULCPTG-UHFFFAOYSA-N 1 0 281.360 1.756 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923293343 677795625 /nfs/dbraw/zinc/79/56/25/677795625.db2.gz QRTLOZDIXQLQSN-IPYPFGDCSA-N 1 0 291.351 1.455 20 5 CDBDRO Cc1c(C[NH2+]C[C@@]2(O)CCO[C@H]2C)cccc1[N+](=O)[O-] ZINC000227141460 677842450 /nfs/dbraw/zinc/84/24/50/677842450.db2.gz SHRXCQYZAKTLBL-FZMZJTMJSA-N 1 0 280.324 1.533 20 5 CDBDRO C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000829019329 677911976 /nfs/dbraw/zinc/91/19/76/677911976.db2.gz FPRPOYGSAPMSID-PHIMTYICSA-N 1 0 294.355 1.068 20 5 CDBDRO Cc1nn(CN2CC[C@H]([NH+]3CC=CC3)C2)c(C)c1[N+](=O)[O-] ZINC000172933289 677988810 /nfs/dbraw/zinc/98/88/10/677988810.db2.gz RGWMYEXPHPTQRZ-ZDUSSCGKSA-N 1 0 291.355 1.312 20 5 CDBDRO C[NH2+]CCN(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000070303792 678021171 /nfs/dbraw/zinc/02/11/71/678021171.db2.gz MSLZMYRTUPPYSN-UHFFFAOYSA-N 1 0 252.274 1.278 20 5 CDBDRO C[C@H]1CCN(CC[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000791051403 678073519 /nfs/dbraw/zinc/07/35/19/678073519.db2.gz CLFOJWWWQAPYNH-AWEZNQCLSA-N 1 0 277.368 1.860 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCCCC[C@H]2CO)cc1 ZINC000847014487 678128319 /nfs/dbraw/zinc/12/83/19/678128319.db2.gz JWYBFLDGUVLZMH-GJZGRUSLSA-N 1 0 294.351 1.865 20 5 CDBDRO CC1([NH+]2CCC2)CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000882509662 678152735 /nfs/dbraw/zinc/15/27/35/678152735.db2.gz DIRKLHMIYRFKPH-UHFFFAOYSA-N 1 0 293.327 1.018 20 5 CDBDRO C[NH2+]C1(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)CCC1 ZINC000863923147 678185600 /nfs/dbraw/zinc/18/56/00/678185600.db2.gz LITJGCPNHBDGTO-UHFFFAOYSA-N 1 0 292.339 1.357 20 5 CDBDRO COCCOC[C@@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819104508 678311045 /nfs/dbraw/zinc/31/10/45/678311045.db2.gz QRAJNLJBGRNMRK-BXUZGUMPSA-N 1 0 298.339 1.269 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]3CC[C@H]2C3)c1 ZINC000597710040 678337527 /nfs/dbraw/zinc/33/75/27/678337527.db2.gz POIBLVZCJTZAJR-JTQLQIEISA-N 1 0 291.307 1.134 20 5 CDBDRO CN(Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)C1CC1 ZINC000853488898 678338381 /nfs/dbraw/zinc/33/83/81/678338381.db2.gz BDIQWDDERALART-UHFFFAOYSA-N 1 0 273.296 1.905 20 5 CDBDRO COc1ccc(CNC(=[NH2+])NC(C)C)cc1[N+](=O)[O-] ZINC000848996290 678383803 /nfs/dbraw/zinc/38/38/03/678383803.db2.gz ONLBOZOHANFGKS-UHFFFAOYSA-N 1 0 266.301 1.626 20 5 CDBDRO COCCC[N@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000066371174 678394265 /nfs/dbraw/zinc/39/42/65/678394265.db2.gz BNRPWXQWSNXZHI-UHFFFAOYSA-N 1 0 278.312 1.870 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1C[C@H](CO)C1)OCCO2 ZINC000923006429 678403335 /nfs/dbraw/zinc/40/33/35/678403335.db2.gz CJCDIPCEUJPKSF-HOMQSWHASA-N 1 0 294.307 1.227 20 5 CDBDRO COC(=O)[C@@]1(C)CCN(Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000177225044 678502777 /nfs/dbraw/zinc/50/27/77/678502777.db2.gz CLTMNCAAVRIBGB-ZDUSSCGKSA-N 1 0 296.327 1.251 20 5 CDBDRO O=C1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CN1CC1CC1 ZINC000883404192 678548392 /nfs/dbraw/zinc/54/83/92/678548392.db2.gz SBJXMXONLNNYMA-CYBMUJFWSA-N 1 0 289.335 1.695 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CC[C@H](CO)CC2)cc1 ZINC000843079619 678588646 /nfs/dbraw/zinc/58/86/46/678588646.db2.gz ZYMJTOKEIHVCGL-WHOFXGATSA-N 1 0 294.351 1.769 20 5 CDBDRO CC[NH+](CC)CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823508234 678649639 /nfs/dbraw/zinc/64/96/39/678649639.db2.gz UHQZMBZSXBTPRN-ZDUSSCGKSA-N 1 0 295.339 1.086 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1C[C@H](CO)[C@H](O)C1 ZINC000317699775 678658836 /nfs/dbraw/zinc/65/88/36/678658836.db2.gz RZPRWKUDRMPWKO-BXKDBHETSA-N 1 0 286.715 1.033 20 5 CDBDRO CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC[NH2+]1 ZINC000856489519 678724600 /nfs/dbraw/zinc/72/46/00/678724600.db2.gz NVJJHJOKMLVEFT-ZDUSSCGKSA-N 1 0 295.314 1.804 20 5 CDBDRO O=[N+]([O-])CC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000930299096 678729840 /nfs/dbraw/zinc/72/98/40/678729840.db2.gz BCCHSKAEWUPDGL-YNEHKIRRSA-N 1 0 256.346 1.669 20 5 CDBDRO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000929809185 678780180 /nfs/dbraw/zinc/78/01/80/678780180.db2.gz KRWPHQLKXHWRML-MNOVXSKESA-N 1 0 270.354 1.913 20 5 CDBDRO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccccc1 ZINC000839469928 678797497 /nfs/dbraw/zinc/79/74/97/678797497.db2.gz DKIPWAMQABXFDY-ZIAGYGMSSA-N 1 0 291.351 1.290 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(N3CCC[C@@H]4[NH2+]CC[C@H]43)c2c1 ZINC000864599725 678801119 /nfs/dbraw/zinc/80/11/19/678801119.db2.gz CORPAOKHWSYVIU-UONOGXRCSA-N 1 0 299.334 1.869 20 5 CDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823247750 678820084 /nfs/dbraw/zinc/82/00/84/678820084.db2.gz RUFAKAPLGVWZDA-LBPRGKRZSA-N 1 0 285.388 1.813 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000883162675 678860192 /nfs/dbraw/zinc/86/01/92/678860192.db2.gz AEJOCVUKZFTLRP-CYBMUJFWSA-N 1 0 292.339 1.488 20 5 CDBDRO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000886116970 678860956 /nfs/dbraw/zinc/86/09/56/678860956.db2.gz WIRPIBVFJFCPOZ-AAEUAGOBSA-N 1 0 279.340 1.973 20 5 CDBDRO COCC[NH+](CCOC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351023 678892458 /nfs/dbraw/zinc/89/24/58/678892458.db2.gz HKOSHDOETQFAND-CQSZACIVSA-N 1 0 298.339 1.223 20 5 CDBDRO O=[N+]([O-])c1cnn(CN2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000172485000 678931950 /nfs/dbraw/zinc/93/19/50/678931950.db2.gz LNEPNCAZIDLHOI-GFCCVEGCSA-N 1 0 279.344 1.309 20 5 CDBDRO CC(C)(O)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000879962382 678937914 /nfs/dbraw/zinc/93/79/14/678937914.db2.gz QMLLOJAFBVITRE-LLVKDONJSA-N 1 0 282.344 1.274 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000262439079 678939114 /nfs/dbraw/zinc/93/91/14/678939114.db2.gz XRQXBNMAYJURKK-LLVKDONJSA-N 1 0 294.355 1.145 20 5 CDBDRO COc1cc(Cc2noc(CN)n2)ccc1[N+](=O)[O-] ZINC000822863970 678978153 /nfs/dbraw/zinc/97/81/53/678978153.db2.gz WFLDXPDHVLAEOJ-UHFFFAOYSA-N 1 0 264.241 1.036 20 5 CDBDRO CC[C@@]1(O)CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886147300 678983840 /nfs/dbraw/zinc/98/38/40/678983840.db2.gz ORIXQFNMTYVAKX-GFCCVEGCSA-N 1 0 251.286 1.337 20 5 CDBDRO CCC(CC)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002789977 679049723 /nfs/dbraw/zinc/04/97/23/679049723.db2.gz ZRMKFGYXGDLPIF-ZIAGYGMSSA-N 1 0 297.399 1.668 20 5 CDBDRO C[N@@H+](CC1=CCCOC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852519328 679093209 /nfs/dbraw/zinc/09/32/09/679093209.db2.gz YZHIANGNMZNZGU-HNNXBMFYSA-N 1 0 292.335 1.907 20 5 CDBDRO C[NH2+]C(C)(C)c1cn(Cc2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000881211783 679122806 /nfs/dbraw/zinc/12/28/06/679122806.db2.gz JCILSWXBJGTMDX-UHFFFAOYSA-N 1 0 289.339 1.998 20 5 CDBDRO CN(CC[NH+]1CCCC1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823091827 679123889 /nfs/dbraw/zinc/12/38/89/679123889.db2.gz OOTCXTGPIROKCG-UHFFFAOYSA-N 1 0 271.361 1.376 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000261904775 679131832 /nfs/dbraw/zinc/13/18/32/679131832.db2.gz XBRBNUGTMPVJGG-VHSXEESVSA-N 1 0 292.339 1.295 20 5 CDBDRO C[C@@H](NC[C@H]1CCC[NH2+]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817952453 679139873 /nfs/dbraw/zinc/13/98/73/679139873.db2.gz QANSBZPZNZRPDW-MWLCHTKSSA-N 1 0 264.329 1.580 20 5 CDBDRO Cc1nc(NCCN2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000721981512 679141904 /nfs/dbraw/zinc/14/19/04/679141904.db2.gz QSYSTYAKRNCNHW-UHFFFAOYSA-N 1 0 279.344 1.133 20 5 CDBDRO Cc1nccc([C@@H]2CCCN(CC[N+](=O)[O-])C2)n1 ZINC000929297129 679198122 /nfs/dbraw/zinc/19/81/22/679198122.db2.gz UTIMWMSAPVLRJU-LLVKDONJSA-N 1 0 250.302 1.241 20 5 CDBDRO C[NH2+]CCCc1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000843171178 679353478 /nfs/dbraw/zinc/35/34/78/679353478.db2.gz SFYCRQYLCITRMD-UHFFFAOYSA-N 1 0 276.296 1.721 20 5 CDBDRO COC(=O)Cc1ccc(N[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001167278645 1158555797 /nfs/dbraw/zinc/55/57/97/1158555797.db2.gz PLGOGGKDPYVPFJ-LBPRGKRZSA-N 1 0 293.323 1.426 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H]1CCC(=O)O1)c1ccc([N+](=O)[O-])cc1 ZINC000932178399 679367296 /nfs/dbraw/zinc/36/72/96/679367296.db2.gz NIXKUADEVBGALO-SKDRFNHKSA-N 1 0 264.281 1.951 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000876500981 679425918 /nfs/dbraw/zinc/42/59/18/679425918.db2.gz LLOPWYMYXCKWPN-LLVKDONJSA-N 1 0 277.324 1.775 20 5 CDBDRO O=[N+]([O-])c1cccc(-c2noc(C[C@@H]3C[NH2+]CCO3)n2)c1 ZINC000091294955 679432776 /nfs/dbraw/zinc/43/27/76/679432776.db2.gz BHTXCDYIIXWGLV-LLVKDONJSA-N 1 0 290.279 1.176 20 5 CDBDRO CSc1ccc(C(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000715125431 679474092 /nfs/dbraw/zinc/47/40/92/679474092.db2.gz KWGORVPYHGMWTK-CZMCAQCFSA-N 1 0 295.364 1.784 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000930666607 679487733 /nfs/dbraw/zinc/48/77/33/679487733.db2.gz LFJORGWYKXTPJF-NSHDSACASA-N 1 0 270.354 1.818 20 5 CDBDRO COC[C@H](O)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866353295 679505632 /nfs/dbraw/zinc/50/56/32/679505632.db2.gz FYJLNUNTBQSMSY-BXKDBHETSA-N 1 0 286.303 1.262 20 5 CDBDRO CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001048525265 679594305 /nfs/dbraw/zinc/59/43/05/679594305.db2.gz QVOJLUZBVXTQLA-NZEXEKPDSA-N 1 0 281.356 1.031 20 5 CDBDRO O=C1NCCN1CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000886744916 679634081 /nfs/dbraw/zinc/63/40/81/679634081.db2.gz KBGAAAKZMXJFHA-LBPRGKRZSA-N 1 0 290.323 1.197 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2C[NH2+]CCO2)c1 ZINC000841098455 679644710 /nfs/dbraw/zinc/64/47/10/679644710.db2.gz FBNAMKUDCMACMO-NSHDSACASA-N 1 0 285.731 1.326 20 5 CDBDRO C[C@H]1C[C@@H]1C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877831760 679652083 /nfs/dbraw/zinc/65/20/83/679652083.db2.gz YLLQJJGJYGDWTI-RMIQQSQVSA-N 1 0 280.324 1.235 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]C(C)(C)C(N)=O)c([N+](=O)[O-])c1 ZINC001170306518 1162339380 /nfs/dbraw/zinc/33/93/80/1162339380.db2.gz WVYIWZWZFTUYTC-SECBINFHSA-N 1 0 295.339 1.388 20 5 CDBDRO COc1ccc(C[C@@H](C)N2CCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001170309699 1162339912 /nfs/dbraw/zinc/33/99/12/1162339912.db2.gz RMJISMUNEUUQSM-YPMHNXCESA-N 1 0 293.367 1.958 20 5 CDBDRO CCOc1cc([N+](=O)[O-])ccc1N[C@H](C)[C@H]1C[NH2+]CCO1 ZINC001170568753 1162947202 /nfs/dbraw/zinc/94/72/02/1162947202.db2.gz PBIVNVRYIIRDGF-QMTHXVAHSA-N 1 0 295.339 1.782 20 5 CDBDRO C[C@H](Nc1ccc2nc[nH]c2c1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001170574812 1162978588 /nfs/dbraw/zinc/97/85/88/1162978588.db2.gz UFZIISWNJYYWBO-GZMMTYOYSA-N 1 0 291.311 1.260 20 5 CDBDRO Cc1cc(-n2ccc(C[NH3+])cc2=N)ncc1[N+](=O)[O-] ZINC001167690635 1159427568 /nfs/dbraw/zinc/42/75/68/1159427568.db2.gz RPUBJZHMYMKMLF-UHFFFAOYSA-N 1 0 259.269 1.027 20 5 CDBDRO [NH3+][C@@H]1CCc2nn(-c3cc([N+](=O)[O-])c4nccn4c3)cc2C1 ZINC001168821603 1161988857 /nfs/dbraw/zinc/98/88/57/1161988857.db2.gz QTGAUQPJWXYLNX-SNVBAGLBSA-N 1 0 298.306 1.244 20 5 CDBDRO Cc1nccnc1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168998448 1161996972 /nfs/dbraw/zinc/99/69/72/1161996972.db2.gz NCTYOEFTHRVGIY-MNOVXSKESA-N 1 0 250.302 1.320 20 5 CDBDRO [NH3+]Cc1cnnn1-c1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001169311213 1162003757 /nfs/dbraw/zinc/00/37/57/1162003757.db2.gz RXQVULRUMLWZAB-UHFFFAOYSA-N 1 0 297.278 1.091 20 5 CDBDRO O=[N+]([O-])c1cccnc1NCC12CC[NH+](CC1)CC2 ZINC001169795069 1162016691 /nfs/dbraw/zinc/01/66/91/1162016691.db2.gz FALZKKCPLQWTOI-UHFFFAOYSA-N 1 0 262.313 1.888 20 5 CDBDRO CN(c1cnc2cc([N+](=O)[O-])ccc2n1)C(C)(C)C[NH3+] ZINC001159054540 1164036966 /nfs/dbraw/zinc/03/69/66/1164036966.db2.gz NHSKZPMUQLAEDA-UHFFFAOYSA-N 1 0 275.312 1.712 20 5 CDBDRO CSC[C@H](C)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867949932 1164886679 /nfs/dbraw/zinc/88/66/79/1164886679.db2.gz LUYYGYACGARHPI-ZANVPECISA-N 1 0 297.380 1.636 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)nc(N[C@H]2COCCC23C[NH2+]C3)c1 ZINC001155461112 1167179236 /nfs/dbraw/zinc/17/92/36/1167179236.db2.gz APKPXKBLXRDVHG-VIFPVBQESA-N 1 0 298.730 1.434 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)cc1NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001155509381 1167202573 /nfs/dbraw/zinc/20/25/73/1167202573.db2.gz BMQRFSGITHSXJM-UFBFGSQYSA-N 1 0 298.730 1.291 20 5 CDBDRO CCC[NH2+][C@H](C)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001577548243 1171694221 /nfs/dbraw/zinc/69/42/21/1171694221.db2.gz KFDWKVOSVHWZEU-GFCCVEGCSA-N 1 0 293.367 1.984 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC1([NH3+])CC1 ZINC001579642808 1172232289 /nfs/dbraw/zinc/23/22/89/1172232289.db2.gz XCPDPSJOTZCVPN-UHFFFAOYSA-N 1 0 278.312 1.824 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC001579985218 1172315158 /nfs/dbraw/zinc/31/51/58/1172315158.db2.gz SCEMNBFEWHNXMV-JTQLQIEISA-N 1 0 289.295 1.357 20 5 CDBDRO C[C@@H]1CCC[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590265372 1173329307 /nfs/dbraw/zinc/32/93/07/1173329307.db2.gz SMVPZTVLULNDNH-SECBINFHSA-N 1 0 288.311 1.759 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)c1csc([N+](=O)[O-])c1 ZINC000401236089 1186408264 /nfs/dbraw/zinc/40/82/64/1186408264.db2.gz RGVUMPOJFGTHGY-HRDYMLBCSA-N 1 0 283.353 1.867 20 5 CDBDRO COc1cc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC001164639329 719186986 /nfs/dbraw/zinc/18/69/86/719186986.db2.gz RSYDDPDERVGKBX-NXEZZACHSA-N 1 0 280.328 1.527 20 5 CDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(N)n1 ZINC001164634807 719212951 /nfs/dbraw/zinc/21/29/51/719212951.db2.gz HBDODGNNLLUGEC-IUCAKERBSA-N 1 0 265.317 1.101 20 5 CDBDRO Cc1nc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000590696186 719249627 /nfs/dbraw/zinc/24/96/27/719249627.db2.gz HKFYNADNVJZKCR-DTWKUNHWSA-N 1 0 265.317 1.222 20 5 CDBDRO C[N@@H+]1CCO[C@@H]2CN(c3nccc(Cl)c3[N+](=O)[O-])C[C@H]21 ZINC001164667991 719372596 /nfs/dbraw/zinc/37/25/96/719372596.db2.gz MKTYNTONIGOSQD-NXEZZACHSA-N 1 0 298.730 1.162 20 5 CDBDRO COc1cc(N2CCC[C@@H]([NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC001165040560 721889917 /nfs/dbraw/zinc/88/99/17/721889917.db2.gz YYAWRONROVGMDL-SNVBAGLBSA-N 1 0 280.328 1.529 20 5 CDBDRO C[NH+](C)CC1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000574619239 721944369 /nfs/dbraw/zinc/94/43/69/721944369.db2.gz WGVGHKCIYIRTBZ-UHFFFAOYSA-N 1 0 282.319 1.907 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ccnc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001155502420 1167200726 /nfs/dbraw/zinc/20/07/26/1167200726.db2.gz FSWDGLKPQHUGLF-FTLITQJKSA-N 1 0 284.703 1.042 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2COC2)c1F ZINC001173174948 912281703 /nfs/dbraw/zinc/28/17/03/912281703.db2.gz HEOOGXWFFLURCL-VIFPVBQESA-N 1 0 298.314 1.910 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(CO)CC1 ZINC001173215378 912299696 /nfs/dbraw/zinc/29/96/96/912299696.db2.gz VPPRQOJRAWLCJJ-SNVBAGLBSA-N 1 0 250.298 1.640 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CNC(=O)C1 ZINC001173220070 912303792 /nfs/dbraw/zinc/30/37/92/912303792.db2.gz SSQRLKOOPPFTBD-KOLCDFICSA-N 1 0 263.297 1.004 20 5 CDBDRO Cc1nnc(C[NH3+])n1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173228953 912323093 /nfs/dbraw/zinc/32/30/93/912323093.db2.gz OJCVLPBYDIRNQY-SECBINFHSA-N 1 0 275.312 1.757 20 5 CDBDRO C[C@@]1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CC[NH2+]C1 ZINC001212200729 913803527 /nfs/dbraw/zinc/80/35/27/913803527.db2.gz VNQLQZNEDBEMKD-GFCCVEGCSA-N 1 0 293.258 1.430 20 5 CDBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1cnc([N+](=O)[O-])cn1 ZINC001167625105 897086311 /nfs/dbraw/zinc/08/63/11/897086311.db2.gz NAYDRSAWUJNFJM-UHFFFAOYSA-N 1 0 279.344 1.870 20 5 CDBDRO C[C@@H]1COC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000699772567 914243178 /nfs/dbraw/zinc/24/31/78/914243178.db2.gz DRMFEVGQMOQJLW-PWSUYJOCSA-N 1 0 250.298 1.762 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOCc2ccc([N+](=O)[O-])cc2)C1 ZINC001222791763 900460245 /nfs/dbraw/zinc/46/02/45/900460245.db2.gz UZZSDBSUMAXYCW-CQSZACIVSA-N 1 0 280.324 1.832 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cc(O)cc2oc(=O)ccc12 ZINC001229136703 907988281 /nfs/dbraw/zinc/98/82/81/907988281.db2.gz YGQXLXOKBMDCTQ-SNVBAGLBSA-O 1 0 278.328 1.972 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000697833140 909321066 /nfs/dbraw/zinc/32/10/66/909321066.db2.gz SINIGPDIQLGYJQ-ZETCQYMHSA-N 1 0 271.704 1.573 20 5 CDBDRO CCc1ccccc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932076 909883664 /nfs/dbraw/zinc/88/36/64/909883664.db2.gz HGYXCIQYHVXTOY-ZIAGYGMSSA-N 1 0 291.351 1.120 20 5 CDBDRO O=C(NCC[NH2+]CC1CCCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936572 909936199 /nfs/dbraw/zinc/93/61/99/909936199.db2.gz LYRSFAOAWVLYGI-CHWSQXEVSA-N 1 0 283.372 1.328 20 5 CDBDRO CC1(C)CCC(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001126936934 909942152 /nfs/dbraw/zinc/94/21/52/909942152.db2.gz XONZDADKUYJCKZ-CHWSQXEVSA-N 1 0 297.399 1.574 20 5 CDBDRO CCOC(=O)[C@H]1CC[C@@H](OCCC[N+](C)(C)C)CO1 ZINC001224622701 909980813 /nfs/dbraw/zinc/98/08/13/909980813.db2.gz IXONLSMBHRSAJP-CHWSQXEVSA-N 1 0 274.381 1.210 20 5 CDBDRO COC(=O)CC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172913436 912103630 /nfs/dbraw/zinc/10/36/30/912103630.db2.gz VWTSGRHTPPTUJC-CYBMUJFWSA-N 1 0 292.335 1.995 20 5 CDBDRO NC(=[NH2+])c1nccn1-c1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001168415728 912122164 /nfs/dbraw/zinc/12/21/64/912122164.db2.gz LVLWLCFHKMNTRP-UHFFFAOYSA-N 1 0 270.252 1.546 20 5 CDBDRO CN(C)c1ccc(-n2ccnc2C(N)=[NH2+])c([N+](=O)[O-])c1 ZINC001168417821 912167689 /nfs/dbraw/zinc/16/76/89/912167689.db2.gz LWOVPJPSIYSKFW-UHFFFAOYSA-N 1 0 274.284 1.131 20 5 CDBDRO COc1nc(C)c(N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001162402524 922515847 /nfs/dbraw/zinc/51/58/47/922515847.db2.gz SVBVJDUEZFISGZ-ZJUUUORDSA-N 1 0 280.328 1.989 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N[C@@H](C)C[NH+](C)C ZINC000824614897 925831653 /nfs/dbraw/zinc/83/16/53/925831653.db2.gz BHODYFYHMVLCOR-QMMMGPOBSA-N 1 0 254.290 1.360 20 5 CDBDRO COc1nc(N[C@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001154979250 926273015 /nfs/dbraw/zinc/27/30/15/926273015.db2.gz XRROBDWYEYKFFO-BDAKNGLRSA-N 1 0 266.301 1.680 20 5 CDBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1N ZINC001155029203 926430414 /nfs/dbraw/zinc/43/04/14/926430414.db2.gz FBRXITUMEOFVDZ-ZJUUUORDSA-N 1 0 279.344 1.620 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(CCC[NH3+])C(C)C)n1 ZINC001156124312 927315659 /nfs/dbraw/zinc/31/56/59/927315659.db2.gz FWLCDJPKGWAMRF-UHFFFAOYSA-N 1 0 296.327 1.340 20 5 CDBDRO Cc1ccnc(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168977288 927564145 /nfs/dbraw/zinc/56/41/45/927564145.db2.gz JESDTMWMJOZXKU-CHWSQXEVSA-N 1 0 263.341 1.968 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CCC3(CC2)OCCO3)C1 ZINC001168981155 927568319 /nfs/dbraw/zinc/56/83/19/927568319.db2.gz GNIJBTKWCAGQMX-YPMHNXCESA-N 1 0 284.356 1.707 20 5 CDBDRO CC1(C)OC[C@@H](C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)O1 ZINC001168983351 927570460 /nfs/dbraw/zinc/57/04/60/927570460.db2.gz JQARXHPLEDAOKD-OUAUKWLOSA-N 1 0 258.318 1.173 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CN3CCC2CC3)C1 ZINC001168963908 927587822 /nfs/dbraw/zinc/58/78/22/927587822.db2.gz QMTUTVQQCOPWPU-WXHSDQCUSA-N 1 0 253.346 1.116 20 5 CDBDRO CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168968101 927591059 /nfs/dbraw/zinc/59/10/59/927591059.db2.gz VUTULSIYXHVLNO-GXTWGEPZSA-N 1 0 297.399 1.668 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3ncccn3)CC2)C1 ZINC001168995838 927603776 /nfs/dbraw/zinc/60/37/76/927603776.db2.gz TZIIXJBRWLBLGM-MNOVXSKESA-N 1 0 262.313 1.501 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(C3CCC3)CC2)C1 ZINC001169007707 927611012 /nfs/dbraw/zinc/61/10/12/927611012.db2.gz PTSKTVDJNQGVBS-GXTWGEPZSA-N 1 0 267.373 1.602 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(CCOC3)CC2)C1 ZINC001169007640 927611064 /nfs/dbraw/zinc/61/10/64/927611064.db2.gz OVVANBGUHWZGPQ-OLZOCXBDSA-N 1 0 268.357 1.934 20 5 CDBDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC[C@H]1O ZINC001169010581 927616267 /nfs/dbraw/zinc/61/62/67/927616267.db2.gz DUTALOKRFXLJOE-YVECIDJPSA-N 1 0 256.346 1.525 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CC[C@](O)(CF)[C@@H](F)C2)C1 ZINC001169011551 927617160 /nfs/dbraw/zinc/61/71/60/927617160.db2.gz KWLYGGYVEKXIGK-BJDJZHNGSA-N 1 0 278.299 1.176 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H](n2ncc3c2CC[NH2+]C3)C1 ZINC001169011027 927617877 /nfs/dbraw/zinc/61/78/77/927617877.db2.gz HKJWMXUXUFBFML-GXSJLCMTSA-N 1 0 250.302 1.147 20 5 CDBDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169013425 927619973 /nfs/dbraw/zinc/61/99/73/927619973.db2.gz UYBICCBBGNKFFC-VOAKCMCISA-N 1 0 256.346 1.525 20 5 CDBDRO COC(=O)[C@H]1CC[C@@H](C)[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169033302 927640366 /nfs/dbraw/zinc/64/03/66/927640366.db2.gz BSRCZECEYYJWGV-NDBYEHHHSA-N 1 0 284.356 1.705 20 5 CDBDRO CC(=O)C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169034267 927641873 /nfs/dbraw/zinc/64/18/73/927641873.db2.gz GLMBILXUNLTYAV-AAEUAGOBSA-N 1 0 254.330 1.733 20 5 CDBDRO CC(C)(C(N)=O)C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169034928 927642204 /nfs/dbraw/zinc/64/22/04/927642204.db2.gz IQUPKGCIWBSXNL-YPMHNXCESA-N 1 0 297.399 1.655 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CC(N3CC[C@H](F)C3)C2)C1 ZINC001169036105 927643431 /nfs/dbraw/zinc/64/34/31/927643431.db2.gz MZWSXSKLYRVKQF-GRYCIOLGSA-N 1 0 271.336 1.160 20 5 CDBDRO CC(C)O[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169037036 927648133 /nfs/dbraw/zinc/64/81/33/927648133.db2.gz HYMCIFAOVXRROA-RWMBFGLXSA-N 1 0 256.346 1.931 20 5 CDBDRO CC[NH+](CC)C[C@@H]1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCO1 ZINC001169052475 927669282 /nfs/dbraw/zinc/66/92/82/927669282.db2.gz GEUQKXNBLCNODM-SOUVJXGZSA-N 1 0 299.415 1.474 20 5 CDBDRO CN1C(=O)CC[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@H]21 ZINC001169050610 927669854 /nfs/dbraw/zinc/66/98/54/927669854.db2.gz BYIVNGXZLGEHDF-REWJHTLYSA-N 1 0 295.383 1.375 20 5 CDBDRO C[C@H]([NH3+])c1ccn(-c2ccc3nsnc3c2[N+](=O)[O-])n1 ZINC001169233165 927845076 /nfs/dbraw/zinc/84/50/76/927845076.db2.gz NGXIHVMKNREKGT-LURJTMIESA-N 1 0 290.308 1.805 20 5 CDBDRO [NH3+]Cc1ccn(-c2ccc3nsnc3c2[N+](=O)[O-])c1 ZINC001169725179 928345733 /nfs/dbraw/zinc/34/57/33/928345733.db2.gz AMLABKORAZYWQI-UHFFFAOYSA-N 1 0 275.293 1.849 20 5 CDBDRO CCOc1cnc(-n2ccc(C[NH3+])c2)c([N+](=O)[O-])c1 ZINC001169716370 928373351 /nfs/dbraw/zinc/37/33/51/928373351.db2.gz HXOITNCHJMZHOG-UHFFFAOYSA-N 1 0 262.269 1.638 20 5 CDBDRO CCC/C=C/CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001112835776 929478350 /nfs/dbraw/zinc/47/83/50/929478350.db2.gz OKZLGMOTBWCEMD-KOABKASLSA-N 1 0 295.383 1.542 20 5 CDBDRO CC(C)(C)c1cnc(N[C@H]2C[NH2+]C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001170773919 929921636 /nfs/dbraw/zinc/92/16/36/929921636.db2.gz KJCJBRJOGNGLJO-KOLCDFICSA-N 1 0 294.355 1.280 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001170779109 929956902 /nfs/dbraw/zinc/95/69/02/929956902.db2.gz IPRPLBGOOGSEMN-VXGBXAGGSA-N 1 0 279.340 1.512 20 5 CDBDRO O=[N+]([O-])/C=C/c1ccc(Cl)cc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001170782300 929975679 /nfs/dbraw/zinc/97/56/79/929975679.db2.gz MRTQKTWKKYZADG-BUXPXKOKSA-N 1 0 297.742 1.580 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CCCCC[C@@H]1CO ZINC000886268862 930846208 /nfs/dbraw/zinc/84/62/08/930846208.db2.gz DFXNHGASODFVJG-GFCCVEGCSA-N 1 0 265.313 1.727 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(NCc2ccccc2C[NH3+])n1 ZINC001160906362 932219590 /nfs/dbraw/zinc/21/95/90/932219590.db2.gz VAZSTFUUGSYQTL-UHFFFAOYSA-N 1 0 273.296 1.764 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N(C)C[C@H](C)[NH3+] ZINC001246979879 932589746 /nfs/dbraw/zinc/58/97/46/932589746.db2.gz FIZGMPGWKPNREH-WDEREUQCSA-N 1 0 251.330 1.805 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](Nc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001154984980 937616538 /nfs/dbraw/zinc/61/65/38/937616538.db2.gz JWGPHQJHCPRARN-SFYZADRCSA-N 1 0 286.719 1.563 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1-n1cc2ccc(C[NH3+])cc2n1 ZINC001171324888 932675811 /nfs/dbraw/zinc/67/58/11/932675811.db2.gz NBIGWWYGNJDBKW-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1-n1cncc1C1CC[NH2+]CC1 ZINC001155053101 937627184 /nfs/dbraw/zinc/62/71/84/937627184.db2.gz LESYDGHLSSGJDR-UHFFFAOYSA-N 1 0 287.323 1.951 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NC[C@H]2C[NH2+][C@H](C)C2)n1 ZINC001155101251 937635178 /nfs/dbraw/zinc/63/51/78/937635178.db2.gz RXLWFFVAZALWHQ-HTRCEHHLSA-N 1 0 285.735 1.757 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1nccc(Cl)c1[N+](=O)[O-] ZINC001155187389 937645814 /nfs/dbraw/zinc/64/58/14/937645814.db2.gz APBFKWVLQXNHRE-HTRCEHHLSA-N 1 0 256.693 1.806 20 5 CDBDRO CSCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001123166289 936121869 /nfs/dbraw/zinc/12/18/69/936121869.db2.gz MXNZAUPBMXJQSR-UHFFFAOYSA-N 1 0 283.353 1.164 20 5 CDBDRO Cc1nc(Cl)nc(-n2ccnc2CC[NH3+])c1[N+](=O)[O-] ZINC001156477775 938372105 /nfs/dbraw/zinc/37/21/05/938372105.db2.gz LDGZMDQIIOFZSY-UHFFFAOYSA-N 1 0 282.691 1.034 20 5 CDBDRO CC(C)[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])n2)C1 ZINC001157009016 938446191 /nfs/dbraw/zinc/44/61/91/938446191.db2.gz DDMWOJYDHRKKCM-LLVKDONJSA-N 1 0 264.329 1.909 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2C[C@H]3[C@H](C2)CCC[N@H+]3C)n1 ZINC001157264547 938471872 /nfs/dbraw/zinc/47/18/72/938471872.db2.gz FGDGLYUIUAPPHR-JQWIXIFHSA-N 1 0 277.328 1.224 20 5 CDBDRO Cc1c(C)c([N+](=O)[O-])cnc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001157448020 938493130 /nfs/dbraw/zinc/49/31/30/938493130.db2.gz RTRWAIHIPLEMOM-ZJUUUORDSA-N 1 0 268.292 1.719 20 5 CDBDRO COc1cc(C)nc(N[C@H]2C[NH2+]CC[C@H]2F)c1[N+](=O)[O-] ZINC001157448035 938493171 /nfs/dbraw/zinc/49/31/71/938493171.db2.gz SHARGUOYDANBAJ-BDAKNGLRSA-N 1 0 284.291 1.419 20 5 CDBDRO CCOc1nc(-n2cc(CC[NH3+])cn2)ccc1[N+](=O)[O-] ZINC001158100565 938583070 /nfs/dbraw/zinc/58/30/70/938583070.db2.gz ODPVZFZDAWCXRX-UHFFFAOYSA-N 1 0 277.284 1.075 20 5 CDBDRO C[C@H]([NH3+])c1ccn(-c2cnc3cc([N+](=O)[O-])ccc3n2)n1 ZINC001158348451 938612001 /nfs/dbraw/zinc/61/20/01/938612001.db2.gz HGPILQXKCQDBKB-QMMMGPOBSA-N 1 0 284.279 1.743 20 5 CDBDRO CC[N@@H+]1CCN(c2ncnc(OC)c2[N+](=O)[O-])C(C)(C)C1 ZINC001158562418 938636842 /nfs/dbraw/zinc/63/68/42/938636842.db2.gz BWLNMZAQAYQUHI-UHFFFAOYSA-N 1 0 295.343 1.314 20 5 CDBDRO CO[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC001158710331 938653907 /nfs/dbraw/zinc/65/39/07/938653907.db2.gz DIURCMYRJNQXFP-GXFFZTMASA-N 1 0 288.307 1.305 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@H]2C[NH2+]C[C@@H]2CO)c2ccccc21 ZINC001159678161 938744626 /nfs/dbraw/zinc/74/46/26/938744626.db2.gz OUPSGUXGTDSYFD-SKDRFNHKSA-N 1 0 288.307 1.135 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1cc(C)c2cc([N+](=O)[O-])ccc2n1 ZINC001159744205 938749390 /nfs/dbraw/zinc/74/93/90/938749390.db2.gz SAKUTUVACUNDCA-CQSZACIVSA-N 1 0 290.323 1.921 20 5 CDBDRO COc1cnc(N[C@@H](C[NH3+])C(C)(C)C)c([N+](=O)[O-])c1 ZINC001160913582 938843101 /nfs/dbraw/zinc/84/31/01/938843101.db2.gz STKFMSHQBKPJQC-JTQLQIEISA-N 1 0 268.317 1.784 20 5 CDBDRO CCOc1cnc(NCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001161666456 938918490 /nfs/dbraw/zinc/91/84/90/938918490.db2.gz NLFUZHUVKXLYFB-UHFFFAOYSA-N 1 0 254.290 1.362 20 5 CDBDRO C[N@@H+]1CCC[C@](C)(Nc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001162336397 939027310 /nfs/dbraw/zinc/02/73/10/939027310.db2.gz ATBMEGUYJZTHLA-LBPRGKRZSA-N 1 0 265.317 1.468 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@]2(F)CCCC[NH2+]C2)nc1 ZINC001162573787 939091095 /nfs/dbraw/zinc/09/10/95/939091095.db2.gz ULKLGQOQQZAGAL-LBPRGKRZSA-N 1 0 268.292 1.884 20 5 CDBDRO Cc1cnc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])c1 ZINC001162789434 939139512 /nfs/dbraw/zinc/13/95/12/939139512.db2.gz FMKJZUPVTRESJC-HBNTYKKESA-N 1 0 260.297 1.484 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)nc1N[C@@H]1C=C[C@H]2C[NH2+]C[C@H]21 ZINC001162790488 939140437 /nfs/dbraw/zinc/14/04/37/939140437.db2.gz UJJKGTRQYCXHOX-XLPZGREQSA-N 1 0 281.703 1.224 20 5 CDBDRO [NH3+]C[C@H](CO)c1ccc(Nc2cc([N+](=O)[O-])ccn2)cc1 ZINC001163051437 939185736 /nfs/dbraw/zinc/18/57/36/939185736.db2.gz XYHJPCWBDFTLKH-LLVKDONJSA-N 1 0 288.307 1.768 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(N[C@@H]2COCCC23C[NH2+]C3)c1F ZINC001163079463 939192835 /nfs/dbraw/zinc/19/28/35/939192835.db2.gz ODNLOTUYAHPSFN-GFCCVEGCSA-N 1 0 295.314 1.833 20 5 CDBDRO Cc1c(F)cc([N+](=O)[O-])cc1N[C@H]1COCCC12C[NH2+]C2 ZINC001163080413 939193528 /nfs/dbraw/zinc/19/35/28/939193528.db2.gz FWXPQZORWXISTB-ZDUSSCGKSA-N 1 0 295.314 1.833 20 5 CDBDRO Nc1nc(N[C@H](C[NH3+])c2ccccc2)ccc1[N+](=O)[O-] ZINC001163294353 939241750 /nfs/dbraw/zinc/24/17/50/939241750.db2.gz ODFSZGURSNUNSB-SNVBAGLBSA-N 1 0 273.296 1.684 20 5 CDBDRO CN(C)/C=C/c1cc(N(C)CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001163590909 939290405 /nfs/dbraw/zinc/29/04/05/939290405.db2.gz IZIPPJJMGQHBLD-VOTSOKGWSA-N 1 0 293.371 1.520 20 5 CDBDRO C[NH2+]CCN(C)c1ncnc2cc(OC)c([N+](=O)[O-])cc21 ZINC001163721190 939314772 /nfs/dbraw/zinc/31/47/72/939314772.db2.gz UHUMHDCUBVUPII-UHFFFAOYSA-N 1 0 291.311 1.202 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cc(N[C@H](C)C[NH+](C)C)n1 ZINC001163772470 939327021 /nfs/dbraw/zinc/32/70/21/939327021.db2.gz MVEOVQFOTGQQCS-MRVPVSSYSA-N 1 0 282.300 1.138 20 5 CDBDRO CN(CC[NH+]1CCCC1)c1cc([N+](=O)[O-])ccn1 ZINC001165139473 939516174 /nfs/dbraw/zinc/51/61/74/939516174.db2.gz KAGVCTLLYOKSNG-UHFFFAOYSA-N 1 0 250.302 1.522 20 5 CDBDRO Cc1c(C)c(N2C[C@@H]3C[NH+](C)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001165146734 939518060 /nfs/dbraw/zinc/51/80/60/939518060.db2.gz BMYQKNSTVFCAMM-RYUDHWBXSA-N 1 0 276.340 1.604 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)n1 ZINC001165149292 939518931 /nfs/dbraw/zinc/51/89/31/939518931.db2.gz OLYJTMMEMOTDKG-DTORHVGOSA-N 1 0 297.746 1.344 20 5 CDBDRO CC(C)[N@@H+]1CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])C[C@H]1C ZINC001165199200 939523072 /nfs/dbraw/zinc/52/30/72/939523072.db2.gz XWKVBLZTVTVZCB-LLVKDONJSA-N 1 0 280.328 1.147 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(-n2ncc3c2CC[NH2+]C3)nc1Cl ZINC001165219440 939526613 /nfs/dbraw/zinc/52/66/13/939526613.db2.gz RWGHKUNLOHAZFT-UHFFFAOYSA-N 1 0 293.714 1.783 20 5 CDBDRO [NH3+][C@@]12C[C@@H]1CCN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)C2 ZINC001165327251 939545790 /nfs/dbraw/zinc/54/57/90/939545790.db2.gz LSNPDPKZRRTSJB-ISVAXAHUSA-N 1 0 273.296 1.399 20 5 CDBDRO Cc1nc(N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)ccc1[N+](=O)[O-] ZINC001165427702 939563458 /nfs/dbraw/zinc/56/34/58/939563458.db2.gz SJZFOBZNEJOZDK-GHMZBOCLSA-N 1 0 294.330 1.811 20 5 CDBDRO Nc1nc(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)ccc1[N+](=O)[O-] ZINC001165435750 939565320 /nfs/dbraw/zinc/56/53/20/939565320.db2.gz XJHSOFMNHMXOMJ-DTWKUNHWSA-N 1 0 295.318 1.085 20 5 CDBDRO CC[C@@H](C)C[C@@H]([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000400866157 940859405 /nfs/dbraw/zinc/85/94/05/940859405.db2.gz FKFYLRQIULFRAO-ZYHUDNBSSA-N 1 0 279.340 1.975 20 5 CDBDRO O=c1ccc2[n+]([O-])c3ccc(O[C@H]4CC[NH2+]C4)cc3oc-2c1 ZINC001218179695 941042289 /nfs/dbraw/zinc/04/22/89/941042289.db2.gz GMHTVXVNNKREAK-LBPRGKRZSA-N 1 0 298.298 1.272 20 5 CDBDRO COC(=O)Cc1ccc(O[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218279404 941050658 /nfs/dbraw/zinc/05/06/58/941050658.db2.gz QBPYWUQXONMHIC-LLVKDONJSA-N 1 0 294.307 1.441 20 5 CDBDRO CCOC(=O)[C@@H]1CCC[C@H]1OCCC[N+](C)(C)C ZINC001224617966 941776378 /nfs/dbraw/zinc/77/63/78/941776378.db2.gz AMHBUEKMIUJPTM-CHWSQXEVSA-N 1 0 258.382 1.831 20 5 CDBDRO COc1cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001225236247 941832134 /nfs/dbraw/zinc/83/21/34/941832134.db2.gz RQLOXEOMIJKOTI-LLVKDONJSA-N 1 0 268.333 1.058 20 5 CDBDRO COc1cccc(OC)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225334018 941845087 /nfs/dbraw/zinc/84/50/87/941845087.db2.gz FWDABYRCJJCWBD-LLVKDONJSA-N 1 0 298.359 1.066 20 5 CDBDRO Cc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1F ZINC001225772077 941911555 /nfs/dbraw/zinc/91/15/55/941911555.db2.gz JTPDDHDCVDLUEQ-LLVKDONJSA-N 1 0 270.324 1.497 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(F)cc1Cl ZINC001225886815 941924673 /nfs/dbraw/zinc/92/46/73/941924673.db2.gz JULUAKXTUPHTKK-SNVBAGLBSA-N 1 0 290.742 1.842 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(O[C@@H](C)C[NH+](C)C)c1 ZINC001226444409 942006697 /nfs/dbraw/zinc/00/66/97/942006697.db2.gz ACSCPJDTNSQMQL-VIFPVBQESA-N 1 0 254.286 1.932 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1cc[nH+]c(N)c1 ZINC001226658157 942043579 /nfs/dbraw/zinc/04/35/79/942043579.db2.gz YRMRBQCNCTZENN-MRVPVSSYSA-N 1 0 277.284 1.544 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1O[C@H]1C[NH+]2CCC1CC2 ZINC001226761136 942064850 /nfs/dbraw/zinc/06/48/50/942064850.db2.gz FYPUPXHHIWUOKI-LBPRGKRZSA-N 1 0 263.297 1.771 20 5 CDBDRO Cc1c(F)cccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001226774558 942066842 /nfs/dbraw/zinc/06/68/42/942066842.db2.gz LNAKFKDUKITDRB-LLVKDONJSA-N 1 0 270.324 1.497 20 5 CDBDRO Cc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1[N+](=O)[O-] ZINC001226950220 942101872 /nfs/dbraw/zinc/10/18/72/942101872.db2.gz FMSDJCHPNVCMAN-LLVKDONJSA-N 1 0 297.331 1.266 20 5 CDBDRO Cc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c2c1CCC2 ZINC001227232370 942154533 /nfs/dbraw/zinc/15/45/33/942154533.db2.gz RYUGJYHQCYCUHC-CYBMUJFWSA-N 1 0 292.399 1.846 20 5 CDBDRO C[N@@H+]1CCC[C@@H](Oc2ncc([N+](=O)[O-])c3nc[nH]c32)C1 ZINC001227693645 942205458 /nfs/dbraw/zinc/20/54/58/942205458.db2.gz XDWWMFABGJEPJL-MRVPVSSYSA-N 1 0 277.284 1.339 20 5 CDBDRO COC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)cn1 ZINC001227736802 942214983 /nfs/dbraw/zinc/21/49/83/942214983.db2.gz ANSCRYVKAXNHBT-JTQLQIEISA-N 1 0 253.322 1.342 20 5 CDBDRO CC(C)(C)[NH+]1CCC(Oc2nc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001228140632 942274337 /nfs/dbraw/zinc/27/43/37/942274337.db2.gz LELQGBDMMVXULI-UHFFFAOYSA-N 1 0 296.327 1.732 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2cc(=O)[nH]c(C)c2[N+](=O)[O-])C1 ZINC001228684950 942356261 /nfs/dbraw/zinc/35/62/61/942356261.db2.gz CDEYBKUWRIFIMZ-SECBINFHSA-N 1 0 267.285 1.477 20 5 CDBDRO Cc1nc(Cl)ccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228701853 942362661 /nfs/dbraw/zinc/36/26/61/942362661.db2.gz GWKLTXAKZLFDPB-SNVBAGLBSA-N 1 0 287.767 1.406 20 5 CDBDRO COC(=O)c1cc(O[C@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001228772429 942374060 /nfs/dbraw/zinc/37/40/60/942374060.db2.gz WSDJDHIJPRDOHG-SECBINFHSA-N 1 0 282.296 1.710 20 5 CDBDRO C[NH+]1CCC(Oc2cc([N+](=O)[O-])ccc2O)CC1 ZINC001229397986 942465019 /nfs/dbraw/zinc/46/50/19/942465019.db2.gz PAMWOQXLQIOJSD-UHFFFAOYSA-N 1 0 252.270 1.773 20 5 CDBDRO C[N@@H+]1CC[C@H](Oc2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001229399536 942465077 /nfs/dbraw/zinc/46/50/77/942465077.db2.gz LWCZAAOPDMKIRL-JTQLQIEISA-N 1 0 274.280 1.621 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](Oc1n[nH]cc3nncc1-3)C2 ZINC001230894532 942726830 /nfs/dbraw/zinc/72/68/30/942726830.db2.gz ALGDERWMDUIKLH-NSHDSACASA-N 1 0 297.274 1.807 20 5 CDBDRO COC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)cc1[N+](=O)[O-] ZINC001234053135 943727672 /nfs/dbraw/zinc/72/76/72/943727672.db2.gz XAIFZRSQSVOSTP-JTQLQIEISA-N 1 0 297.331 1.855 20 5 CDBDRO [NH3+]C[C@@H]1C[C@@H]1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001263147115 943764439 /nfs/dbraw/zinc/76/44/39/943764439.db2.gz PLGNYRCTHBAGEU-FZMZJTMJSA-N 1 0 289.335 1.681 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC001263152171 943765533 /nfs/dbraw/zinc/76/55/33/943765533.db2.gz ZJXCJBSJWMCGHF-UHFFFAOYSA-N 1 0 289.335 1.729 20 5 CDBDRO C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C)c1ccccc1[N+](=O)[O-] ZINC001263236366 943798336 /nfs/dbraw/zinc/79/83/36/943798336.db2.gz LKSQRQJNRXFVLL-NTZNESFSSA-N 1 0 291.351 1.813 20 5 CDBDRO COC(=O)c1cc(F)c(=O)[nH]c1O[C@@H](C)C[N+](C)(C)C ZINC001234606819 943913967 /nfs/dbraw/zinc/91/39/67/943913967.db2.gz OLFGDXWUQHUTCC-QMMMGPOBSA-O 1 0 287.311 1.186 20 5 CDBDRO CCC(CO)(CO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254538201 947516695 /nfs/dbraw/zinc/51/66/95/947516695.db2.gz RHXOTGHQHRMBQA-LLVKDONJSA-N 1 0 282.340 1.249 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC001254539847 947519216 /nfs/dbraw/zinc/51/92/16/947519216.db2.gz KQBLWJAXRKFISS-RYUDHWBXSA-N 1 0 291.351 1.594 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[N@@H+]2CC[C@@H]2C1 ZINC001254568500 947529977 /nfs/dbraw/zinc/52/99/77/947529977.db2.gz GJLARHLDAYNHSZ-GXTWGEPZSA-N 1 0 275.352 1.916 20 5 CDBDRO C[C@@H](CN(C)C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573005 947531100 /nfs/dbraw/zinc/53/11/00/947531100.db2.gz VFMKPIHXRLOTND-GXFFZTMASA-N 1 0 263.341 1.602 20 5 CDBDRO [NH3+][C@H]1CCc2nn([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)cc2C1 ZINC001254576120 947535528 /nfs/dbraw/zinc/53/55/28/947535528.db2.gz UTMGJOWWYIGELK-DZGCQCFKSA-N 1 0 298.346 1.947 20 5 CDBDRO CCC1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)COC1 ZINC001254575202 947535816 /nfs/dbraw/zinc/53/58/16/947535816.db2.gz POBUNUFHVLARFM-GFCCVEGCSA-N 1 0 262.309 1.831 20 5 CDBDRO COCCOCCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580065 947537947 /nfs/dbraw/zinc/53/79/47/947537947.db2.gz AQMIZKIMGJXPKW-AWEZNQCLSA-N 1 0 294.351 1.705 20 5 CDBDRO C[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1O ZINC001254592734 947542866 /nfs/dbraw/zinc/54/28/66/947542866.db2.gz GHMHFOUCQPNNKC-VCTAVGKDSA-N 1 0 276.336 1.765 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@H](F)[C@@H](O)C1)C2 ZINC001254597935 947545915 /nfs/dbraw/zinc/54/59/15/947545915.db2.gz JMLMZPFUKTUSML-RDBSUJKOSA-N 1 0 280.299 1.467 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCCC[C@@H]1CO)C2 ZINC001254601089 947548787 /nfs/dbraw/zinc/54/87/87/947548787.db2.gz ZBXPPJMABTXHFW-HUUCEWRRSA-N 1 0 276.336 1.909 20 5 CDBDRO NC(=O)[C@H]1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254600866 947551247 /nfs/dbraw/zinc/55/12/47/947551247.db2.gz WLFRNJMHQXJRLS-SMDDNHRTSA-N 1 0 289.335 1.259 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]CC[C@@H]1F ZINC001246478794 948197082 /nfs/dbraw/zinc/19/70/82/948197082.db2.gz BPJBWLQAQLQDCA-LEWSCRJBSA-N 1 0 281.331 1.815 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[NH2+]C[C@H]21 ZINC001246923731 948521973 /nfs/dbraw/zinc/52/19/73/948521973.db2.gz ZAQBMBFHSRAOCE-SCDSUCTJSA-N 1 0 261.325 1.429 20 5 CDBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC001324731683 953548322 /nfs/dbraw/zinc/54/83/22/953548322.db2.gz MJGJATIJZZHNMF-LLVKDONJSA-N 1 0 270.333 1.273 20 5 CDBDRO CN(C)Cc1nnc(-c2cc([N+](=O)[O-])cn2C)o1 ZINC001328434110 955293903 /nfs/dbraw/zinc/29/39/03/955293903.db2.gz SQXMDPPFYVOENW-UHFFFAOYSA-N 1 0 251.246 1.045 20 5 CDBDRO C[C@]1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]C1 ZINC001328491645 955310927 /nfs/dbraw/zinc/31/09/27/955310927.db2.gz HVYNPCAUPZREAR-AWEZNQCLSA-N 1 0 275.308 1.437 20 5 CDBDRO CC(C)[NH2+]C1CCN(c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001306961517 956352306 /nfs/dbraw/zinc/35/23/06/956352306.db2.gz XUJANKWFIGZNDE-UHFFFAOYSA-N 1 0 267.333 1.295 20 5 CDBDRO C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001307884942 956450841 /nfs/dbraw/zinc/45/08/41/956450841.db2.gz WQHMCSTYYBVWGD-JFGNBEQYSA-N 1 0 292.339 1.464 20 5 CDBDRO Nc1ncccc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001308741972 956570626 /nfs/dbraw/zinc/57/06/26/956570626.db2.gz XOIYSWBPSDGUBS-UHFFFAOYSA-N 1 0 287.323 1.537 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331466274 957081859 /nfs/dbraw/zinc/08/18/59/957081859.db2.gz JPTPWBPPQARIEU-LLVKDONJSA-N 1 0 278.312 1.357 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001331721207 957227013 /nfs/dbraw/zinc/22/70/13/957227013.db2.gz WCEFAMDGQVJCGH-JTQLQIEISA-N 1 0 292.339 1.400 20 5 CDBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cnccn1 ZINC001335317548 959707107 /nfs/dbraw/zinc/70/71/07/959707107.db2.gz OCKPYNCSBRKEOH-YGRLFVJLSA-N 1 0 288.307 1.769 20 5 CDBDRO C[C@H](Nc1ccc(N)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001336710150 960491220 /nfs/dbraw/zinc/49/12/20/960491220.db2.gz DCJZVXCJDKCORZ-HZMBPMFUSA-N 1 0 293.371 1.223 20 5 CDBDRO [NH3+]CC[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC001342646452 963787493 /nfs/dbraw/zinc/78/74/93/963787493.db2.gz SXXLECWMZAESHF-NSHDSACASA-N 1 0 293.323 1.171 20 5 CDBDRO O=C(NCC[C@@H]1CSCC[NH2+]1)c1ccc([N+](=O)[O-])o1 ZINC001343713005 964113411 /nfs/dbraw/zinc/11/34/11/964113411.db2.gz FYYNXACQYPWKBI-MRVPVSSYSA-N 1 0 285.325 1.013 20 5 CDBDRO C[C@]1(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC001344092505 964232910 /nfs/dbraw/zinc/23/29/10/964232910.db2.gz LHMIRBZELCAVDP-YDHLFZDLSA-N 1 0 289.335 1.567 20 5 CDBDRO O=C(C[C@H]1CCC[NH2+]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001345781393 964813324 /nfs/dbraw/zinc/81/33/24/964813324.db2.gz URJKRALLPXWJQV-GFCCVEGCSA-N 1 0 275.308 1.579 20 5 CDBDRO CC[NH+](CC)CCNc1cc(N)c([N+](=O)[O-])cn1 ZINC001354051766 968437516 /nfs/dbraw/zinc/43/75/16/968437516.db2.gz ILSAGJMYGVDXGQ-UHFFFAOYSA-N 1 0 253.306 1.326 20 5 CDBDRO CN(C)C1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001356609822 969442073 /nfs/dbraw/zinc/44/20/73/969442073.db2.gz DWGLTJBBLQJIMN-CYBMUJFWSA-N 1 0 279.340 1.312 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-] ZINC001605397037 1163549490 /nfs/dbraw/zinc/54/94/90/1163549490.db2.gz DFCMKGMVTLACRA-LURJTMIESA-N 1 0 297.344 1.198 20 5 CDBDRO [NH3+]Cc1ccn(-c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])c1 ZINC001158767112 1163560144 /nfs/dbraw/zinc/56/01/44/1163560144.db2.gz RCLITWBZBHNFMX-UHFFFAOYSA-N 1 0 268.660 1.131 20 5 CDBDRO CO[C@H]1C[NH2+][C@](C)(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC001573960800 1170842754 /nfs/dbraw/zinc/84/27/54/1170842754.db2.gz LMDQXKRUOYDBFY-RNCFNFMXSA-N 1 0 294.311 1.004 20 5 CDBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C[NH2+]C ZINC001577096349 1171600900 /nfs/dbraw/zinc/60/09/00/1171600900.db2.gz LGYKKRQGBIGKGE-DGCLKSJQSA-N 1 0 293.367 1.888 20 5 CDBDRO CCNc1ccc(C(=O)N[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC001577902480 1171763702 /nfs/dbraw/zinc/76/37/02/1171763702.db2.gz QNYIXWCGAGKGNI-SNVBAGLBSA-N 1 0 278.312 1.118 20 5 CDBDRO CN1CC[NH+](CC2CN(c3ccsc3[N+](=O)[O-])C2)CC1 ZINC000601187415 342489369 /nfs/dbraw/zinc/48/93/69/342489369.db2.gz SILZSVQBIITBBM-UHFFFAOYSA-N 1 0 296.396 1.340 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@H]2C[C@@H](CO)C2)n1 ZINC000601292171 342549710 /nfs/dbraw/zinc/54/97/10/342549710.db2.gz TUBZERHQBNUBFG-XQHKEYJVSA-N 1 0 294.355 1.636 20 5 CDBDRO C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000269189871 190475711 /nfs/dbraw/zinc/47/57/11/190475711.db2.gz GWCCQTHTURTRFW-MNOVXSKESA-N 1 0 293.323 1.169 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000590403316 342543944 /nfs/dbraw/zinc/54/39/44/342543944.db2.gz KRYDERIJIFMNPJ-PWSUYJOCSA-N 1 0 277.324 1.759 20 5 CDBDRO [NH3+]CCC1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000070187697 361771546 /nfs/dbraw/zinc/77/15/46/361771546.db2.gz GVOLMAULXAKORG-UHFFFAOYSA-N 1 0 266.301 1.124 20 5 CDBDRO Cc1cc(N2CC[C@@H]([NH+](C)C)[C@H]2C)ncc1[N+](=O)[O-] ZINC000590568524 342576124 /nfs/dbraw/zinc/57/61/24/342576124.db2.gz DYFRQHJAGHTKKC-GHMZBOCLSA-N 1 0 264.329 1.827 20 5 CDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ncccc1[N+](=O)[O-] ZINC000590569134 342576221 /nfs/dbraw/zinc/57/62/21/342576221.db2.gz MDGIOAKXCPFVSC-UWVGGRQHSA-N 1 0 250.302 1.519 20 5 CDBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1COCCO1 ZINC000590702372 342582343 /nfs/dbraw/zinc/58/23/43/342582343.db2.gz PBUUUTDZKPWRPX-ZDUSSCGKSA-N 1 0 266.297 1.442 20 5 CDBDRO Cc1n[nH]c(C(=O)N2CCCC[C@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC000609175379 342093051 /nfs/dbraw/zinc/09/30/51/342093051.db2.gz SCQOYHJQYHDMEP-JTQLQIEISA-N 1 0 295.343 1.183 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1CNC[C@H]1CCC[NH2+]1)OCCO2 ZINC000591275505 342623955 /nfs/dbraw/zinc/62/39/55/342623955.db2.gz FDJXVLHTNQXKGI-LLVKDONJSA-N 1 0 293.323 1.208 20 5 CDBDRO CC[C@H]([NH3+])CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591281311 342624163 /nfs/dbraw/zinc/62/41/63/342624163.db2.gz KIMOEOYBAIGLFV-JTQLQIEISA-N 1 0 281.312 1.193 20 5 CDBDRO Cc1cc(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000591296381 342624399 /nfs/dbraw/zinc/62/43/99/342624399.db2.gz CSGKQIOZAXXDAU-PHIMTYICSA-N 1 0 290.323 1.586 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000591348310 342626898 /nfs/dbraw/zinc/62/68/98/342626898.db2.gz QCXOFTOKGOPFSV-NEPJUHHUSA-N 1 0 292.339 1.664 20 5 CDBDRO Cc1c(CNC(=O)NC[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000591357068 342627663 /nfs/dbraw/zinc/62/76/63/342627663.db2.gz SVKPCOWJVGHFFP-QMMMGPOBSA-N 1 0 266.301 1.050 20 5 CDBDRO C[C@@H](NC(=O)NCC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000591344113 342628615 /nfs/dbraw/zinc/62/86/15/342628615.db2.gz HEVCPQZJRWHDGJ-SNVBAGLBSA-N 1 0 292.339 1.707 20 5 CDBDRO Cc1nn(C)c(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000591444687 342632573 /nfs/dbraw/zinc/63/25/73/342632573.db2.gz FELBPRMLUTXCQA-NWDGAFQWSA-N 1 0 293.371 1.463 20 5 CDBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591438121 342632054 /nfs/dbraw/zinc/63/20/54/342632054.db2.gz LAOLDUBUZDTQKC-SMDDNHRTSA-N 1 0 289.335 1.986 20 5 CDBDRO CC1(C)C(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000092816386 342135850 /nfs/dbraw/zinc/13/58/50/342135850.db2.gz WITKKFJZVJVNMB-NSHDSACASA-N 1 0 296.371 1.424 20 5 CDBDRO CC1(C)CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[NH2+]1 ZINC000591444515 342632524 /nfs/dbraw/zinc/63/25/24/342632524.db2.gz ADNACVWJZZZHKM-UHFFFAOYSA-N 1 0 276.340 1.751 20 5 CDBDRO CNc1ccc(C(=O)NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000592293088 342684016 /nfs/dbraw/zinc/68/40/16/342684016.db2.gz QSUIYFBBPHSQPS-NSHDSACASA-N 1 0 292.339 1.508 20 5 CDBDRO CNc1ccc(C(=O)N[C@@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000592336591 342685737 /nfs/dbraw/zinc/68/57/37/342685737.db2.gz TUZJNHJQVVIPEA-JTQLQIEISA-N 1 0 294.355 1.884 20 5 CDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1C[C@H]1CC[NH2+]C1 ZINC000592158513 342670476 /nfs/dbraw/zinc/67/04/76/342670476.db2.gz KINKHZIFBMVKHP-QMMMGPOBSA-N 1 0 263.253 1.112 20 5 CDBDRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000322427586 342185812 /nfs/dbraw/zinc/18/58/12/342185812.db2.gz BCHGMNKXWHRFBU-KYZUINATSA-N 1 0 281.287 1.734 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](OC3CCC3)C2)n1 ZINC000594026745 342867791 /nfs/dbraw/zinc/86/77/91/342867791.db2.gz ODPOKXGJARAFQB-CYBMUJFWSA-N 1 0 294.355 1.825 20 5 CDBDRO CNC(=O)CCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000593986612 342860689 /nfs/dbraw/zinc/86/06/89/342860689.db2.gz DHVOOLSHUSXDCD-UHFFFAOYSA-N 1 0 279.340 1.595 20 5 CDBDRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000125533455 187190353 /nfs/dbraw/zinc/19/03/53/187190353.db2.gz ACLVHKNKBCKLRA-YPMLDQLKSA-N 1 0 270.354 1.842 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000085361114 342224552 /nfs/dbraw/zinc/22/45/52/342224552.db2.gz XTYZZRDONAGJLW-UHFFFAOYSA-N 1 0 293.367 1.892 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2COCCN2)cc1[N+](=O)[O-] ZINC000600710398 342243712 /nfs/dbraw/zinc/24/37/12/342243712.db2.gz OGGMFLOMGZPEMV-AAEUAGOBSA-N 1 0 279.340 1.542 20 5 CDBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000494255606 539113988 /nfs/dbraw/zinc/11/39/88/539113988.db2.gz BVTFMFGHLLNKJR-XPTSAGLGSA-N 1 0 293.323 1.351 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000092955544 342270484 /nfs/dbraw/zinc/27/04/84/342270484.db2.gz RQDDXHVJPGVKHX-GWCFXTLKSA-N 1 0 277.324 1.252 20 5 CDBDRO Cc1c(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000127797200 342285407 /nfs/dbraw/zinc/28/54/07/342285407.db2.gz CXJSXVDIRVBSIL-ZWNOBZJWSA-N 1 0 293.323 1.091 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c1 ZINC000127820705 342286232 /nfs/dbraw/zinc/28/62/32/342286232.db2.gz ZIQALHXXWVLFKE-GWCFXTLKSA-N 1 0 293.323 1.091 20 5 CDBDRO COC[C@H](CCO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595010587 342990182 /nfs/dbraw/zinc/99/01/82/342990182.db2.gz VFLYWXNKHPZKNT-QWRGUYRKSA-N 1 0 298.339 1.651 20 5 CDBDRO CC[C@@H](COC)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594924167 342988532 /nfs/dbraw/zinc/98/85/32/342988532.db2.gz WWGVJRRXLKCQBH-NSHDSACASA-N 1 0 296.323 1.881 20 5 CDBDRO Cc1cc(NCCC[NH+]2CCC(O)CC2)ncc1[N+](=O)[O-] ZINC000074742047 342303697 /nfs/dbraw/zinc/30/36/97/342303697.db2.gz VPAJAQASXZOJPL-UHFFFAOYSA-N 1 0 294.355 1.557 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000595276289 343021871 /nfs/dbraw/zinc/02/18/71/343021871.db2.gz WZQKKGFFJHKSJO-SNVBAGLBSA-N 1 0 280.328 1.344 20 5 CDBDRO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000595296618 343027275 /nfs/dbraw/zinc/02/72/75/343027275.db2.gz LOWJRFAGYAYIIK-JTQLQIEISA-N 1 0 269.301 1.750 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H]1CC[NH3+] ZINC000404303536 349771089 /nfs/dbraw/zinc/77/10/89/349771089.db2.gz BYNPSKQOFXTZNC-GHMZBOCLSA-N 1 0 294.355 1.523 20 5 CDBDRO Cc1noc(CN2CC[N@@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000595468900 343072098 /nfs/dbraw/zinc/07/20/98/343072098.db2.gz DTDBTTPHOLIYDW-UHFFFAOYSA-N 1 0 268.317 1.417 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000565758137 365713962 /nfs/dbraw/zinc/71/39/62/365713962.db2.gz UBHIJXOCWWUVRX-UHFFFAOYSA-N 1 0 294.355 1.538 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1[C@H](C)O ZINC000595764580 343145361 /nfs/dbraw/zinc/14/53/61/343145361.db2.gz BYFFGLZBLBCLQW-GXFFZTMASA-N 1 0 280.324 1.949 20 5 CDBDRO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595876230 343178071 /nfs/dbraw/zinc/17/80/71/343178071.db2.gz RCFAWCDEWVPLTR-IUODEOHRSA-N 1 0 294.351 1.924 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000595981247 343210276 /nfs/dbraw/zinc/21/02/76/343210276.db2.gz BYWCXKSAPXPUAJ-ZETCQYMHSA-N 1 0 271.704 1.586 20 5 CDBDRO C[C@@]1(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[NH2+]C1 ZINC000595993248 343213401 /nfs/dbraw/zinc/21/34/01/343213401.db2.gz XMHQCTRUYLXCAL-CQSZACIVSA-N 1 0 289.291 1.823 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000595922253 343192146 /nfs/dbraw/zinc/19/21/46/343192146.db2.gz BZXBDTSHVLMMFI-LBPRGKRZSA-N 1 0 281.312 1.088 20 5 CDBDRO CC1(C)CC[NH2+][C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000595924950 343193218 /nfs/dbraw/zinc/19/32/18/343193218.db2.gz KHIXINDEPQSIRG-LBPRGKRZSA-N 1 0 277.324 1.599 20 5 CDBDRO CCC(CC)[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)[NH+](C)C ZINC000596069428 343224925 /nfs/dbraw/zinc/22/49/25/343224925.db2.gz GUWHAJPUICUNKE-GFCCVEGCSA-N 1 0 295.387 1.772 20 5 CDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596244291 343285792 /nfs/dbraw/zinc/28/57/92/343285792.db2.gz OAIMATXMJVTEOW-CABZTGNLSA-N 1 0 292.339 1.223 20 5 CDBDRO CC1(C)CCC[N@H+](CCNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596213111 343268251 /nfs/dbraw/zinc/26/82/51/343268251.db2.gz SBZYMFHFOWPIDO-UHFFFAOYSA-N 1 0 293.371 1.528 20 5 CDBDRO Cc1c(CNC(=O)C2([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000597556266 343565920 /nfs/dbraw/zinc/56/59/20/343565920.db2.gz YFIDUFCFABRFKX-UHFFFAOYSA-N 1 0 277.324 1.614 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000597926098 343664045 /nfs/dbraw/zinc/66/40/45/343664045.db2.gz VBYAFHQFXYRQCE-SECBINFHSA-N 1 0 280.328 1.526 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H](C)[NH+](C)C)c1 ZINC000597990955 343681586 /nfs/dbraw/zinc/68/15/86/343681586.db2.gz BNHHPOVAOVSOBP-SNVBAGLBSA-N 1 0 295.339 1.673 20 5 CDBDRO COC[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000382571274 362250019 /nfs/dbraw/zinc/25/00/19/362250019.db2.gz QMAWKSGXPZXCLG-LBPRGKRZSA-N 1 0 288.731 1.735 20 5 CDBDRO CC1CC(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000598728445 343887052 /nfs/dbraw/zinc/88/70/52/343887052.db2.gz CANIYGWZPTWDFH-YIZWMMSDSA-N 1 0 294.351 1.970 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915205 343919587 /nfs/dbraw/zinc/91/95/87/343919587.db2.gz KNJKESHFNQQIMU-QMMMGPOBSA-N 1 0 282.275 1.607 20 5 CDBDRO CCNC(=O)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000061015616 349897421 /nfs/dbraw/zinc/89/74/21/349897421.db2.gz UGSAXSJVLFRUNN-UHFFFAOYSA-N 1 0 279.340 1.944 20 5 CDBDRO Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c([N+](=O)[O-])s1 ZINC000599084929 343950872 /nfs/dbraw/zinc/95/08/72/343950872.db2.gz ZXZGEXPIJXBGSV-JZYVYDRUSA-N 1 0 267.354 1.961 20 5 CDBDRO Cc1nn(C)c(NC[C@H]2CCCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000599140564 343959879 /nfs/dbraw/zinc/95/98/79/343959879.db2.gz VUKQGDAXOODREF-LLVKDONJSA-N 1 0 281.360 1.781 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599672371 344114478 /nfs/dbraw/zinc/11/44/78/344114478.db2.gz NITYTSDZTVHYDD-GSJFWJNXSA-N 1 0 280.324 1.806 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000602597759 344503065 /nfs/dbraw/zinc/50/30/65/344503065.db2.gz CZCXBHTUXYNJGF-XYPYZODXSA-N 1 0 277.324 1.842 20 5 CDBDRO O=C1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CCCN1 ZINC000602558934 344467822 /nfs/dbraw/zinc/46/78/22/344467822.db2.gz QHHVSNLDBQRIRJ-LBPRGKRZSA-N 1 0 277.324 1.396 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H]([NH3+])C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000602594343 344477349 /nfs/dbraw/zinc/47/73/49/344477349.db2.gz ADYBFUKCXJSNGQ-MWLCHTKSSA-N 1 0 263.297 1.465 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000602594169 344486008 /nfs/dbraw/zinc/48/60/08/344486008.db2.gz QCMLCCZBOGHAQT-GHMZBOCLSA-N 1 0 277.324 1.570 20 5 CDBDRO Cc1c(CC(=O)N[C@H]2CC[C@H]([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000602604889 344490597 /nfs/dbraw/zinc/49/05/97/344490597.db2.gz QMUFOJUMPQOVIB-JOCQHMNTSA-N 1 0 291.351 1.832 20 5 CDBDRO C[C@@H](O)C1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602716848 344556022 /nfs/dbraw/zinc/55/60/22/344556022.db2.gz FVPQVWQAWDHJAZ-SNVBAGLBSA-N 1 0 250.298 1.640 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC=C(C)C1 ZINC000602823260 344610952 /nfs/dbraw/zinc/61/09/52/344610952.db2.gz BFYXTTYUIMEPLS-UHFFFAOYSA-N 1 0 250.302 1.752 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CO)C1CCCCC1 ZINC000602807301 344615807 /nfs/dbraw/zinc/61/58/07/344615807.db2.gz RNINNYZCOQURIG-CYBMUJFWSA-N 1 0 296.371 1.631 20 5 CDBDRO COC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C(C)C ZINC000602809971 344602659 /nfs/dbraw/zinc/60/26/59/344602659.db2.gz LBKJUOAPHGVVDV-NSHDSACASA-N 1 0 270.333 1.360 20 5 CDBDRO CCn1cc([C@@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])cn1 ZINC000602840305 344621307 /nfs/dbraw/zinc/62/13/07/344621307.db2.gz NBWOTTLGTRCFKX-SNVBAGLBSA-N 1 0 292.343 1.667 20 5 CDBDRO CO[C@@H]1C[C@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])C12CCC2 ZINC000602842403 344622116 /nfs/dbraw/zinc/62/21/16/344622116.db2.gz XOLUDPRZAFPRJA-NWDGAFQWSA-N 1 0 294.355 1.647 20 5 CDBDRO CCO[C@@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602842166 344622230 /nfs/dbraw/zinc/62/22/30/344622230.db2.gz QQQBVYIJACCKCD-DGCLKSJQSA-N 1 0 296.371 1.847 20 5 CDBDRO CC[NH+](CC)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000003594388 344937174 /nfs/dbraw/zinc/93/71/74/344937174.db2.gz AESDGLBSBRUZHR-GFCCVEGCSA-N 1 0 268.313 1.676 20 5 CDBDRO CC(C)C[C@@H]([NH3+])C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810241 344983540 /nfs/dbraw/zinc/98/35/40/344983540.db2.gz NZNWEXJFOXLQMX-GFCCVEGCSA-N 1 0 279.340 1.927 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000129182572 362533994 /nfs/dbraw/zinc/53/39/94/362533994.db2.gz LWHJTQZHYGWYJJ-GFCCVEGCSA-N 1 0 263.297 1.370 20 5 CDBDRO C[NH+](C)CCC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000056358153 345166252 /nfs/dbraw/zinc/16/62/52/345166252.db2.gz IOMAMNMPHUWXRB-UHFFFAOYSA-N 1 0 294.355 1.727 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000129129126 345265692 /nfs/dbraw/zinc/26/56/92/345265692.db2.gz OXIJPGJDOBKMBU-MNOVXSKESA-N 1 0 292.339 1.345 20 5 CDBDRO COc1ccc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000129263117 345281996 /nfs/dbraw/zinc/28/19/96/345281996.db2.gz JKBFVQSDRMWTGZ-ONGXEEELSA-N 1 0 293.323 1.555 20 5 CDBDRO COc1ccc(C(=O)N[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000230733611 345441024 /nfs/dbraw/zinc/44/10/24/345441024.db2.gz WAIPSROQGMFGDK-ZDUSSCGKSA-N 1 0 279.296 1.085 20 5 CDBDRO CCO[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C[NH3+] ZINC000405810784 345486034 /nfs/dbraw/zinc/48/60/34/345486034.db2.gz UPRYDUAOBUEZEK-UKRRQHHQSA-N 1 0 293.367 1.699 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000092136715 345995202 /nfs/dbraw/zinc/99/52/02/345995202.db2.gz KJZJPRYGHKJBME-SECBINFHSA-N 1 0 251.286 1.067 20 5 CDBDRO CC(C)(CO)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000609839759 346005435 /nfs/dbraw/zinc/00/54/35/346005435.db2.gz NDBKCZRNTIMNIV-UHFFFAOYSA-N 1 0 279.340 1.488 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127559642 187316184 /nfs/dbraw/zinc/31/61/84/187316184.db2.gz ZRHVFXJBPCIYLE-NSHDSACASA-N 1 0 293.323 1.746 20 5 CDBDRO O=[N+]([O-])c1ncccc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000610077110 346167881 /nfs/dbraw/zinc/16/78/81/346167881.db2.gz DWJSPJRROACBSN-GFCCVEGCSA-N 1 0 276.340 1.912 20 5 CDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C(C)(C)C(N)=O ZINC000295577289 199572136 /nfs/dbraw/zinc/57/21/36/199572136.db2.gz ZDMOESJXWKKAIB-UHFFFAOYSA-N 1 0 281.312 1.169 20 5 CDBDRO C[C@@H](NC(=O)C[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000037766549 346368280 /nfs/dbraw/zinc/36/82/80/346368280.db2.gz VVHDAHUYQSEAGT-SECBINFHSA-N 1 0 263.297 1.524 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])nc3)CC[C@@H]21 ZINC000610808008 346444101 /nfs/dbraw/zinc/44/41/01/346444101.db2.gz OLGILFAOPVFTHQ-AAEUAGOBSA-N 1 0 276.340 1.910 20 5 CDBDRO COC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000053898105 347810193 /nfs/dbraw/zinc/81/01/93/347810193.db2.gz JDZSMWYNKBKTOH-UHFFFAOYSA-N 1 0 293.323 1.305 20 5 CDBDRO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000086467345 179297386 /nfs/dbraw/zinc/29/73/86/179297386.db2.gz RRCWQZQUYJLTDO-UWVGGRQHSA-N 1 0 263.297 1.417 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000614711815 348199878 /nfs/dbraw/zinc/19/98/78/348199878.db2.gz TZYSRRRVYZYAPU-ZIAGYGMSSA-N 1 0 291.351 1.736 20 5 CDBDRO COc1cc(CN2CC[NH2+][C@@H]3C[C@@H]32)c([N+](=O)[O-])cc1F ZINC001579149155 1172106936 /nfs/dbraw/zinc/10/69/36/1172106936.db2.gz OOGFFANPNNWNLU-PWSUYJOCSA-N 1 0 281.287 1.289 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000161315847 362929818 /nfs/dbraw/zinc/92/98/18/362929818.db2.gz WOCUIMKJEGBHDC-BDAKNGLRSA-N 1 0 281.287 1.734 20 5 CDBDRO C[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000068064603 349047330 /nfs/dbraw/zinc/04/73/30/349047330.db2.gz AETLZGXVFBZEEG-MRVPVSSYSA-N 1 0 291.311 1.151 20 5 CDBDRO CC[C@@H](O)C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000266091163 362936068 /nfs/dbraw/zinc/93/60/68/362936068.db2.gz DSMHYKLPEMAYID-CYBMUJFWSA-N 1 0 294.355 1.191 20 5 CDBDRO Cc1cccc(C(=O)NCC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000067701334 349033294 /nfs/dbraw/zinc/03/32/94/349033294.db2.gz WNIIVYCFZGGYHA-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO COc1ccc(C(=O)NCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000067701850 349033720 /nfs/dbraw/zinc/03/37/20/349033720.db2.gz METVQCAMBHTUII-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000091546260 180187002 /nfs/dbraw/zinc/18/70/02/180187002.db2.gz FNBYUPRNJGERGN-GHMZBOCLSA-N 1 0 263.297 1.338 20 5 CDBDRO Cc1cnn(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000105881270 186083796 /nfs/dbraw/zinc/08/37/96/186083796.db2.gz NFSWMLVNFWXWAU-UHFFFAOYSA-N 1 0 260.297 1.890 20 5 CDBDRO COc1ccc(C[NH2+]C2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000106465695 186119611 /nfs/dbraw/zinc/11/96/11/186119611.db2.gz PRCMAXOVOLELDD-UHFFFAOYSA-N 1 0 280.324 1.997 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000076269207 350541035 /nfs/dbraw/zinc/54/10/35/350541035.db2.gz JSANRRBRQQZLEZ-SECBINFHSA-N 1 0 280.332 1.109 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000573325160 363010954 /nfs/dbraw/zinc/01/09/54/363010954.db2.gz UVOFXAGQASIKLC-SECBINFHSA-N 1 0 295.295 1.037 20 5 CDBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000291763070 198084021 /nfs/dbraw/zinc/08/40/21/198084021.db2.gz DWBASICKMLSYSZ-SNVBAGLBSA-N 1 0 282.344 1.773 20 5 CDBDRO C[NH2+]C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000124118581 187122878 /nfs/dbraw/zinc/12/28/78/187122878.db2.gz XMOQWUBJKZDMGA-SNVBAGLBSA-N 1 0 250.302 1.344 20 5 CDBDRO C[C@H](CCCC[NH3+])NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000292054536 198147899 /nfs/dbraw/zinc/14/78/99/198147899.db2.gz JNLPZXAAJNBRQB-LLVKDONJSA-N 1 0 295.339 1.607 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000147934400 187914893 /nfs/dbraw/zinc/91/48/93/187914893.db2.gz NUUGGBOBWFMFHD-LLVKDONJSA-N 1 0 263.297 1.337 20 5 CDBDRO COc1cc([N+](=O)[O-])c(C(=O)NCCC[NH3+])cc1SC ZINC000160037112 188451692 /nfs/dbraw/zinc/45/16/92/188451692.db2.gz OWOLGEUIXWDNHR-UHFFFAOYSA-N 1 0 299.352 1.404 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365374552 363360981 /nfs/dbraw/zinc/36/09/81/363360981.db2.gz MYYXXEISZHLOER-WCBMZHEXSA-N 1 0 281.337 1.480 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063199157 363398972 /nfs/dbraw/zinc/39/89/72/363398972.db2.gz XWRIJZPNDUWUDU-GFCCVEGCSA-N 1 0 292.339 1.527 20 5 CDBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H](C)C1 ZINC000578025154 356114572 /nfs/dbraw/zinc/11/45/72/356114572.db2.gz NMUULWRRVHHWNG-AOOOYVTPSA-N 1 0 280.328 1.478 20 5 CDBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336813815 356272740 /nfs/dbraw/zinc/27/27/40/356272740.db2.gz VOQAPXXLWHPWSE-RYUDHWBXSA-N 1 0 268.288 1.983 20 5 CDBDRO C[C@@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000293762806 198762313 /nfs/dbraw/zinc/76/23/13/198762313.db2.gz NAOKIXCTRQCRDD-BCPZQOPPSA-N 1 0 291.351 1.922 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000163529095 356804515 /nfs/dbraw/zinc/80/45/15/356804515.db2.gz ZURQHJSKDVWTOK-PSASIEDQSA-N 1 0 283.353 1.713 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000584061359 356861414 /nfs/dbraw/zinc/86/14/14/356861414.db2.gz JGGMDAQKXHWHJS-CHWSQXEVSA-N 1 0 280.324 1.852 20 5 CDBDRO O=[N+]([O-])c1cccnc1NCC[NH+]1CCCCC1 ZINC000042295482 357062145 /nfs/dbraw/zinc/06/21/45/357062145.db2.gz ZCXVOHDRHUYKCK-UHFFFAOYSA-N 1 0 250.302 1.888 20 5 CDBDRO C[NH+](C)C(C)(C)CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000048387493 357180437 /nfs/dbraw/zinc/18/04/37/357180437.db2.gz HXSPJYOFPYIVEU-UHFFFAOYSA-N 1 0 265.313 1.665 20 5 CDBDRO CCOc1cccc(N2CC[C@@H]([NH2+]C)C2)c1[N+](=O)[O-] ZINC000135058598 357312904 /nfs/dbraw/zinc/31/29/04/357312904.db2.gz ZBBFIWKGKOGBOY-SNVBAGLBSA-N 1 0 265.313 1.792 20 5 CDBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331332565 357443628 /nfs/dbraw/zinc/44/36/28/357443628.db2.gz SIFMWIWYBBVZLG-NWDGAFQWSA-N 1 0 282.344 1.417 20 5 CDBDRO C[N@H+](CCC1OCCO1)Cc1ccccc1[N+](=O)[O-] ZINC000185320432 357531968 /nfs/dbraw/zinc/53/19/68/357531968.db2.gz PPVZCLXDVYGPIN-UHFFFAOYSA-N 1 0 266.297 1.790 20 5 CDBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000135225480 357798089 /nfs/dbraw/zinc/79/80/89/357798089.db2.gz BLTZIDKQUPABDZ-SECBINFHSA-N 1 0 295.314 1.933 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135230753 357799524 /nfs/dbraw/zinc/79/95/24/357799524.db2.gz IDBDFCBREQBLAT-SNVBAGLBSA-N 1 0 265.313 1.109 20 5 CDBDRO C[C@H]1CCCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000187989753 357832074 /nfs/dbraw/zinc/83/20/74/357832074.db2.gz LPHDKFFIGZVOIY-NSHDSACASA-N 1 0 252.318 1.913 20 5 CDBDRO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000188399934 357891136 /nfs/dbraw/zinc/89/11/36/357891136.db2.gz MZOLPSZTVVOCGH-LLVKDONJSA-N 1 0 277.324 1.348 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000299312036 358064483 /nfs/dbraw/zinc/06/44/83/358064483.db2.gz JYSSIMNANUZSJS-QMMMGPOBSA-N 1 0 271.342 1.726 20 5 CDBDRO C[C@@H](O)C[N@@H+]1CCN(c2cccc(F)c2[N+](=O)[O-])[C@H](C)C1 ZINC000192796318 358236809 /nfs/dbraw/zinc/23/68/09/358236809.db2.gz HDVWKPFMRUIRMG-GHMZBOCLSA-N 1 0 297.330 1.625 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000165894379 358238646 /nfs/dbraw/zinc/23/86/46/358238646.db2.gz TVFGTINCZBFQGC-LURJTMIESA-N 1 0 257.677 1.325 20 5 CDBDRO COC(=O)c1cc(NC(=O)CC[C@@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000193198544 358273332 /nfs/dbraw/zinc/27/33/32/358273332.db2.gz APJJALYBEOEDQM-MRVPVSSYSA-N 1 0 295.295 1.447 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000167751734 366424401 /nfs/dbraw/zinc/42/44/01/366424401.db2.gz OJTYVCNYZVOECY-UHFFFAOYSA-N 1 0 265.313 1.585 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@@H](CO)C2)cc1 ZINC000294916971 199246895 /nfs/dbraw/zinc/24/68/95/199246895.db2.gz APSLNZGUGFEPJM-NEPJUHHUSA-N 1 0 250.298 1.845 20 5 CDBDRO O=[N+]([O-])c1ncccc1NCC[NH+]1CCCCC1 ZINC000134564745 358633887 /nfs/dbraw/zinc/63/38/87/358633887.db2.gz DSCYBKZFSHAMOF-UHFFFAOYSA-N 1 0 250.302 1.888 20 5 CDBDRO CC[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000595403538 358644979 /nfs/dbraw/zinc/64/49/79/358644979.db2.gz CNMLKPXCYCHULH-ZANVPECISA-N 1 0 268.288 1.937 20 5 CDBDRO C[NH2+]C[C@@H](C)Nc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000596033295 358655114 /nfs/dbraw/zinc/65/51/14/358655114.db2.gz SZVYVNHNAYHEPF-SECBINFHSA-N 1 0 268.317 1.219 20 5 CDBDRO CC[C@@]1(C)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000341573462 358661727 /nfs/dbraw/zinc/66/17/27/358661727.db2.gz DRVMAULYUVACEV-AWEZNQCLSA-N 1 0 279.340 1.879 20 5 CDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000106886078 359011785 /nfs/dbraw/zinc/01/17/85/359011785.db2.gz SECSXGIDTULBFF-CHWSQXEVSA-N 1 0 296.323 1.055 20 5 CDBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000451770287 359078421 /nfs/dbraw/zinc/07/84/21/359078421.db2.gz CSJGWXXPKVCWOA-ZJUUUORDSA-N 1 0 296.327 1.150 20 5 CDBDRO Cc1ccc(NCCOCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000231208236 359253246 /nfs/dbraw/zinc/25/32/46/359253246.db2.gz XSFLLLBZFSLTQR-UHFFFAOYSA-N 1 0 267.329 1.893 20 5 CDBDRO C[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000050163062 359352521 /nfs/dbraw/zinc/35/25/21/359352521.db2.gz IBWSBQFANWUBIQ-VHSXEESVSA-N 1 0 295.314 1.852 20 5 CDBDRO C[C@@H]([NH3+])CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000340185839 359590285 /nfs/dbraw/zinc/59/02/85/359590285.db2.gz PYWJSBIBBWTYHC-LLVKDONJSA-N 1 0 279.340 1.771 20 5 CDBDRO CC(C)[C@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000297275114 200132431 /nfs/dbraw/zinc/13/24/31/200132431.db2.gz BAWHQPRWGSQDCF-LBPRGKRZSA-N 1 0 263.297 1.467 20 5 CDBDRO [NH3+]C1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000033444055 359701028 /nfs/dbraw/zinc/70/10/28/359701028.db2.gz LVSJVMMVQROWQQ-UHFFFAOYSA-N 1 0 293.323 1.313 20 5 CDBDRO Cc1cc(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)cc([N+](=O)[O-])c1 ZINC000297454063 200195304 /nfs/dbraw/zinc/19/53/04/200195304.db2.gz WMTOAIPWQPDHNW-ZWNOBZJWSA-N 1 0 277.324 1.855 20 5 CDBDRO CN(C(=O)COc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000237078762 363706035 /nfs/dbraw/zinc/70/60/35/363706035.db2.gz KFCDUIUGKTVVSX-UHFFFAOYSA-N 1 0 293.323 1.184 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089456581 359915415 /nfs/dbraw/zinc/91/54/15/359915415.db2.gz BGPTXCCPJKLKSV-DGCLKSJQSA-N 1 0 291.351 1.928 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])s1)C1CC[NH+](C)CC1 ZINC000298198648 200358531 /nfs/dbraw/zinc/35/85/31/200358531.db2.gz FHAHXRBAYGXKAU-UHFFFAOYSA-N 1 0 283.353 1.823 20 5 CDBDRO C[C@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000235614296 360212783 /nfs/dbraw/zinc/21/27/83/360212783.db2.gz MSVOPFBMBNQBFM-WCQYABFASA-N 1 0 291.351 1.723 20 5 CDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000514795736 360228946 /nfs/dbraw/zinc/22/89/46/360228946.db2.gz CXCBOLVMPRDZGU-QWHCGFSZSA-N 1 0 280.324 1.723 20 5 CDBDRO COc1cc(C(=O)NCC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000166726119 360239545 /nfs/dbraw/zinc/23/95/45/360239545.db2.gz JTAAWJNCSBPBAP-LLVKDONJSA-N 1 0 293.323 1.475 20 5 CDBDRO CS[C@@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)C[C@H]1[NH+](C)C ZINC000270343254 360436854 /nfs/dbraw/zinc/43/68/54/360436854.db2.gz FNBZEDLECAUWFZ-NXEZZACHSA-N 1 0 299.400 1.119 20 5 CDBDRO CC1CC[NH+](CCCNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000298687645 200504384 /nfs/dbraw/zinc/50/43/84/200504384.db2.gz APIRFWODVDUDOJ-UHFFFAOYSA-N 1 0 294.359 1.501 20 5 CDBDRO COCC1(O)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000270389595 360468360 /nfs/dbraw/zinc/46/83/60/360468360.db2.gz SAHVAHGOBYEGSD-UHFFFAOYSA-N 1 0 280.324 1.568 20 5 CDBDRO [NH3+]CCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000040808712 360528333 /nfs/dbraw/zinc/52/83/33/360528333.db2.gz BNCYPSQKMCYTHV-UHFFFAOYSA-N 1 0 257.677 1.327 20 5 CDBDRO CCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000112401125 360508551 /nfs/dbraw/zinc/50/85/51/360508551.db2.gz OYPQAOSXDDQULA-UHFFFAOYSA-N 1 0 296.327 1.157 20 5 CDBDRO C[C@]1(O)CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000178002060 189085155 /nfs/dbraw/zinc/08/51/55/189085155.db2.gz OSAZOSNNRHNMHF-AWEZNQCLSA-N 1 0 280.324 1.820 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CC[C@H](O)C2)cc1 ZINC000227700436 360599684 /nfs/dbraw/zinc/59/96/84/360599684.db2.gz RUONPKQBIRBNBK-OCCSQVGLSA-N 1 0 264.325 1.888 20 5 CDBDRO C[C@H](C[NH3+])C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000054341148 360602746 /nfs/dbraw/zinc/60/27/46/360602746.db2.gz LLHXXWUNYMCNSV-SECBINFHSA-N 1 0 251.286 1.148 20 5 CDBDRO CC(C)[C@@H](C)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000178341827 189108518 /nfs/dbraw/zinc/10/85/18/189108518.db2.gz GRHFWUPVEDMCIK-LERXQTSPSA-N 1 0 282.340 1.623 20 5 CDBDRO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC(N)=O ZINC000289725812 360726188 /nfs/dbraw/zinc/72/61/88/360726188.db2.gz PMPCWAZITCJGJL-GQCTYLIASA-N 1 0 263.297 1.415 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H](C)[NH3+])c1 ZINC000178625084 189132304 /nfs/dbraw/zinc/13/23/04/189132304.db2.gz ILDZUUGKQLTKRG-MRVPVSSYSA-N 1 0 267.285 1.071 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000238047420 360712407 /nfs/dbraw/zinc/71/24/07/360712407.db2.gz VUSKCOWJTCBAFB-SECBINFHSA-N 1 0 283.715 1.812 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[NH2+]C1 ZINC000238067463 360716888 /nfs/dbraw/zinc/71/68/88/360716888.db2.gz XUWDJCMNMOFZNJ-ZDUSSCGKSA-N 1 0 291.351 1.643 20 5 CDBDRO C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000053711712 370670583 /nfs/dbraw/zinc/67/05/83/370670583.db2.gz NIOQHCSNPMCWKQ-DTORHVGOSA-N 1 0 253.277 1.921 20 5 CDBDRO CC[N@@H+]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000299575428 200786189 /nfs/dbraw/zinc/78/61/89/200786189.db2.gz CFCSWZKTJFNHBP-UHFFFAOYSA-N 1 0 291.351 1.692 20 5 CDBDRO COC[C@@H](C)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572511698 361032554 /nfs/dbraw/zinc/03/25/54/361032554.db2.gz MJFUEFVLLZNFFK-RYUDHWBXSA-N 1 0 298.339 1.207 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000053202298 361203860 /nfs/dbraw/zinc/20/38/60/361203860.db2.gz XQMMDOTVSGEYIA-PPGNKHEKSA-N 1 0 289.335 1.818 20 5 CDBDRO Cc1ccc(NC[C@@H](C)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000080611185 361314764 /nfs/dbraw/zinc/31/47/64/361314764.db2.gz FOAGTDBRBVYNCE-CYBMUJFWSA-N 1 0 292.383 1.951 20 5 CDBDRO CCOCC[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182382131 189322382 /nfs/dbraw/zinc/32/23/82/189322382.db2.gz IGKBPGMDTNNYPW-GFCCVEGCSA-N 1 0 298.339 1.303 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000168717725 361409110 /nfs/dbraw/zinc/40/91/10/361409110.db2.gz CUDKGASGIWHMML-WLRDWWDVSA-N 1 0 289.335 1.804 20 5 CDBDRO C[C@H]([NH2+]CC(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000183356045 189356393 /nfs/dbraw/zinc/35/63/93/189356393.db2.gz RUMXRIZXSQLCPC-NSHDSACASA-N 1 0 293.323 1.104 20 5 CDBDRO CC[NH+](CC)CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183642962 189365311 /nfs/dbraw/zinc/36/53/11/189365311.db2.gz PKSXBSWZCLMSLH-UHFFFAOYSA-N 1 0 281.316 1.453 20 5 CDBDRO COCCN(C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000274291759 239062786 /nfs/dbraw/zinc/06/27/86/239062786.db2.gz RCPOOPUXCDHCAD-UHFFFAOYSA-N 1 0 272.276 1.821 20 5 CDBDRO O=C1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C2(CCC2)N1 ZINC000282578127 239117805 /nfs/dbraw/zinc/11/78/05/239117805.db2.gz BBQYEVZBFROGKX-ZDUSSCGKSA-N 1 0 289.335 1.886 20 5 CDBDRO Cc1c(C[N@H+]2C[C@H](C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000351795636 364009860 /nfs/dbraw/zinc/00/98/60/364009860.db2.gz OCGROWQYHJWIAX-TVQRCGJNSA-N 1 0 250.298 1.716 20 5 CDBDRO C[C@@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(N)=O ZINC000237426616 363960488 /nfs/dbraw/zinc/96/04/88/363960488.db2.gz BISGERGGZQDZSS-SECBINFHSA-N 1 0 289.291 1.818 20 5 CDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[NH+](C)C ZINC000037985607 363962355 /nfs/dbraw/zinc/96/23/55/363962355.db2.gz JRXWXQYZQIFOMB-MRVPVSSYSA-N 1 0 285.731 1.928 20 5 CDBDRO CC(C)O[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000581009880 363963466 /nfs/dbraw/zinc/96/34/66/363963466.db2.gz XZNZFMSIAGDYLO-GFCCVEGCSA-N 1 0 268.317 1.291 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C2(C)C)ccc1[N+](=O)[O-] ZINC000307916004 239401828 /nfs/dbraw/zinc/40/18/28/239401828.db2.gz VBHGUFUKVVLHLR-LBPRGKRZSA-N 1 0 277.324 1.774 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c1 ZINC000088147767 364258382 /nfs/dbraw/zinc/25/83/82/364258382.db2.gz KXMFXSAXQKNGLP-GHMZBOCLSA-N 1 0 277.324 1.726 20 5 CDBDRO Cc1nc(N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000268486181 364789676 /nfs/dbraw/zinc/78/96/76/364789676.db2.gz MMTAUMZBZXXSDR-WDEREUQCSA-N 1 0 294.355 1.190 20 5 CDBDRO C[C@@H](O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000275413784 193027396 /nfs/dbraw/zinc/02/73/96/193027396.db2.gz DXEXKKOAYDSEDF-LLVKDONJSA-N 1 0 297.330 1.232 20 5 CDBDRO CC(C)(CCC[NH3+])NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000293755175 365516425 /nfs/dbraw/zinc/51/64/25/365516425.db2.gz WQISHYUWZZBLKE-UHFFFAOYSA-N 1 0 294.355 1.640 20 5 CDBDRO CSCC[C@H]([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000027102567 367121772 /nfs/dbraw/zinc/12/17/72/367121772.db2.gz KYXSJKUCWIHZLG-JTQLQIEISA-N 1 0 269.326 1.614 20 5 CDBDRO CCCN(CC[NH+](CC)CC)c1ncc([N+](=O)[O-])cn1 ZINC000162426035 367636166 /nfs/dbraw/zinc/63/61/66/367636166.db2.gz PODCGZLHTMOWRW-UHFFFAOYSA-N 1 0 281.360 1.943 20 5 CDBDRO COc1ccc(CNC(=O)N(C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000417193757 242352832 /nfs/dbraw/zinc/35/28/32/242352832.db2.gz LWVRMZRJKBTVPU-SECBINFHSA-N 1 0 296.327 1.092 20 5 CDBDRO C[NH+]1CCC(C)(CNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000272482626 367741440 /nfs/dbraw/zinc/74/14/40/367741440.db2.gz OPTYPZQUKBTENV-UHFFFAOYSA-N 1 0 280.332 1.111 20 5 CDBDRO C[C@H]([NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161975217 367908373 /nfs/dbraw/zinc/90/83/73/367908373.db2.gz UYOSIKZULUEOQT-JTQLQIEISA-N 1 0 293.323 1.312 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000269302019 368248929 /nfs/dbraw/zinc/24/89/29/368248929.db2.gz XVRXSKLFRUMEGA-JTQLQIEISA-N 1 0 281.312 1.073 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000275969417 193177133 /nfs/dbraw/zinc/17/71/33/193177133.db2.gz LOGZHQGNFJAUSC-UHFFFAOYSA-N 1 0 295.314 1.948 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000418477952 243126313 /nfs/dbraw/zinc/12/63/13/243126313.db2.gz VZEAHKCWZUPCBX-JTQLQIEISA-N 1 0 280.328 1.331 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000418532806 243187026 /nfs/dbraw/zinc/18/70/26/243187026.db2.gz UDUAOHVMMCCHDP-SNVBAGLBSA-N 1 0 294.355 1.866 20 5 CDBDRO CC(=O)c1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000420269735 244002982 /nfs/dbraw/zinc/00/29/82/244002982.db2.gz YFESOPAQYUWLLP-RYUDHWBXSA-N 1 0 289.335 1.843 20 5 CDBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[NH2+]CCN1C ZINC000420271735 244007795 /nfs/dbraw/zinc/00/77/95/244007795.db2.gz KNWXJQYPOQIUKB-ZDUSSCGKSA-N 1 0 294.355 1.057 20 5 CDBDRO C[NH2+]CCN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000420342719 244117588 /nfs/dbraw/zinc/11/75/88/244117588.db2.gz XMVPAJXRFCAIJS-UHFFFAOYSA-N 1 0 253.302 1.125 20 5 CDBDRO C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1[NH3+] ZINC000420381018 244177215 /nfs/dbraw/zinc/17/72/15/244177215.db2.gz RPDFHZPZXQLCMA-WPRPVWTQSA-N 1 0 276.296 1.515 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000289557463 369570308 /nfs/dbraw/zinc/57/03/08/369570308.db2.gz KUHNRKLEAUUJCF-CHWSQXEVSA-N 1 0 277.324 1.599 20 5 CDBDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668492 369784114 /nfs/dbraw/zinc/78/41/14/369784114.db2.gz TZCLLLGUSFWXGE-BXKDBHETSA-N 1 0 265.313 1.584 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000037766483 370079505 /nfs/dbraw/zinc/07/95/05/370079505.db2.gz VYEMRDJCRKTBNB-CABZTGNLSA-N 1 0 263.297 1.524 20 5 CDBDRO C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000026342633 370228929 /nfs/dbraw/zinc/22/89/29/370228929.db2.gz OOLSWCLDCOMJGA-LLVKDONJSA-N 1 0 293.323 1.644 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)C[NH3+] ZINC000422838175 245320050 /nfs/dbraw/zinc/32/00/50/245320050.db2.gz WJQXZRKUCRNHKZ-SNVBAGLBSA-N 1 0 265.313 1.631 20 5 CDBDRO CO[C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269621889 373162157 /nfs/dbraw/zinc/16/21/57/373162157.db2.gz BFKQNKYDHXRYNA-QWHCGFSZSA-N 1 0 266.297 1.349 20 5 CDBDRO O=[N+]([O-])c1ccc(CCN2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000385350818 373177561 /nfs/dbraw/zinc/17/75/61/373177561.db2.gz FEYIOQSWEWZACX-OCCSQVGLSA-N 1 0 261.325 1.431 20 5 CDBDRO COC(=O)c1cnc(NCC[NH2+]C(C)(C)C)c([N+](=O)[O-])c1 ZINC000190171775 373330093 /nfs/dbraw/zinc/33/00/93/373330093.db2.gz USNAHKHMZRVSNR-UHFFFAOYSA-N 1 0 296.327 1.576 20 5 CDBDRO CCN(CC(N)=O)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000191716476 373529172 /nfs/dbraw/zinc/52/91/72/373529172.db2.gz KDGIMTYZIYLVKC-UHFFFAOYSA-N 1 0 295.339 1.689 20 5 CDBDRO Cc1ccc(NC(=O)C[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000130122111 373755425 /nfs/dbraw/zinc/75/54/25/373755425.db2.gz KBTDGXDCFYGMDR-NSHDSACASA-N 1 0 279.296 1.220 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000161493312 373765152 /nfs/dbraw/zinc/76/51/52/373765152.db2.gz BMKGNYPKUIIYAM-DTWKUNHWSA-N 1 0 295.343 1.270 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000368463260 373841249 /nfs/dbraw/zinc/84/12/49/373841249.db2.gz UASVEFYOVLMEKW-RBSFLKMASA-N 1 0 292.335 1.785 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000423638452 245952361 /nfs/dbraw/zinc/95/23/61/245952361.db2.gz UURCZYRRTLLGQA-JTQLQIEISA-N 1 0 279.340 1.858 20 5 CDBDRO COC(=O)[C@@H](C)C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000298716391 374075093 /nfs/dbraw/zinc/07/50/93/374075093.db2.gz IZAWNLVTCPYILM-NSHDSACASA-N 1 0 296.323 1.715 20 5 CDBDRO C[NH+]1CCC(CCNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000169068640 374180986 /nfs/dbraw/zinc/18/09/86/374180986.db2.gz FBVCPKJTRWIBDF-UHFFFAOYSA-N 1 0 265.317 1.529 20 5 CDBDRO CCNC(=O)C[N@H+](CC)CCc1ccc([N+](=O)[O-])cc1 ZINC000298758641 374142883 /nfs/dbraw/zinc/14/28/83/374142883.db2.gz WXRHWBGZMRCKIX-UHFFFAOYSA-N 1 0 279.340 1.595 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000113515286 374260968 /nfs/dbraw/zinc/26/09/68/374260968.db2.gz QDOSERGJAGVODS-CYBMUJFWSA-N 1 0 293.367 1.857 20 5 CDBDRO COC[C@@H](O)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417308771 374244943 /nfs/dbraw/zinc/24/49/43/374244943.db2.gz ICNXGFRPSZAFEH-DZGCQCFKSA-N 1 0 294.351 1.959 20 5 CDBDRO Cc1cc(N[C@@H]2CC[NH2+]C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420136315 374287135 /nfs/dbraw/zinc/28/71/35/374287135.db2.gz JCGIFPLYQZEAKQ-GFCCVEGCSA-N 1 0 299.334 1.556 20 5 CDBDRO C[NH2+]CCNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420155775 374289346 /nfs/dbraw/zinc/28/93/46/374289346.db2.gz LTGPRQLGXJIEEK-UHFFFAOYSA-N 1 0 287.323 1.413 20 5 CDBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000299010452 374297059 /nfs/dbraw/zinc/29/70/59/374297059.db2.gz AOQCFFHPUGJNRW-UHFFFAOYSA-N 1 0 294.355 1.869 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC([NH+](C)C)C1 ZINC000421793457 374332184 /nfs/dbraw/zinc/33/21/84/374332184.db2.gz WCAGXIMLWZTIIF-UHFFFAOYSA-N 1 0 277.324 1.598 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000423472715 374383163 /nfs/dbraw/zinc/38/31/63/374383163.db2.gz YAJKDDBOMRBUNH-UHFFFAOYSA-N 1 0 279.340 1.941 20 5 CDBDRO [NH3+]C1(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000423848384 246143245 /nfs/dbraw/zinc/14/32/45/246143245.db2.gz POGZRJXASCPXDQ-UHFFFAOYSA-N 1 0 269.688 1.356 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000070145274 374650572 /nfs/dbraw/zinc/65/05/72/374650572.db2.gz JXJWMOHPIONKFB-SKDRFNHKSA-N 1 0 277.324 1.713 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000447911839 374720701 /nfs/dbraw/zinc/72/07/01/374720701.db2.gz FOLSFGYZNHYDLB-AAEUAGOBSA-N 1 0 296.323 1.103 20 5 CDBDRO CCOc1cc(C[N@@H+]2CC[C@](C)(O)C2)ccc1[N+](=O)[O-] ZINC000331134836 374895207 /nfs/dbraw/zinc/89/52/07/374895207.db2.gz CIAFZRYGXBERIP-AWEZNQCLSA-N 1 0 280.324 1.950 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)cs1 ZINC000280382611 374994207 /nfs/dbraw/zinc/99/42/07/374994207.db2.gz VVTYFQMVCPUXEO-MNOVXSKESA-N 1 0 286.353 1.391 20 5 CDBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCOC1 ZINC000280601890 375006696 /nfs/dbraw/zinc/00/66/96/375006696.db2.gz ODOOOMJPNVCLMI-NXEZZACHSA-N 1 0 290.323 1.986 20 5 CDBDRO COCCOCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283693805 375122785 /nfs/dbraw/zinc/12/27/85/375122785.db2.gz AOASMUXRUUWVBX-JTQLQIEISA-N 1 0 283.328 1.491 20 5 CDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+](C)C1CC1 ZINC000350714499 375230117 /nfs/dbraw/zinc/23/01/17/375230117.db2.gz OIZCYVDBWMIELK-UHFFFAOYSA-N 1 0 292.339 1.461 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1Cc1csc([N+](=O)[O-])c1 ZINC000131551725 375284252 /nfs/dbraw/zinc/28/42/52/375284252.db2.gz DQWWGTQGLLACAN-IUCAKERBSA-N 1 0 255.343 1.825 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493477904 375458525 /nfs/dbraw/zinc/45/85/25/375458525.db2.gz BQDUMIOHKZMPQE-DUMNWFOQSA-N 1 0 281.287 1.601 20 5 CDBDRO COc1cc(C[NH2+]CCN2CCC2)c([N+](=O)[O-])cc1OC ZINC000344833176 375540948 /nfs/dbraw/zinc/54/09/48/375540948.db2.gz DCLFWQXSVYWQRR-UHFFFAOYSA-N 1 0 295.339 1.407 20 5 CDBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(C)(C)O ZINC000353571567 375626217 /nfs/dbraw/zinc/62/62/17/375626217.db2.gz IJNBVRXZBQZUDT-UHFFFAOYSA-N 1 0 270.333 1.274 20 5 CDBDRO CC[NH2+]CCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000151399680 375669937 /nfs/dbraw/zinc/66/99/37/375669937.db2.gz FLSPZTCZQDUYNQ-UHFFFAOYSA-N 1 0 283.353 1.656 20 5 CDBDRO C[C@H]1CC[N@H+](C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000354086184 375670668 /nfs/dbraw/zinc/67/06/68/375670668.db2.gz NKFKTRJJLLQAQG-JTQLQIEISA-N 1 0 250.302 1.520 20 5 CDBDRO C[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000228053794 375679891 /nfs/dbraw/zinc/67/98/91/375679891.db2.gz LBGSAFVJODXWRJ-MISXGVKJSA-N 1 0 280.324 1.785 20 5 CDBDRO C[C@H]1[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000354621748 375733877 /nfs/dbraw/zinc/73/38/77/375733877.db2.gz YTJHRKMULTZRHW-CABZTGNLSA-N 1 0 293.323 1.513 20 5 CDBDRO [NH3+]CCCc1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000229834019 375960533 /nfs/dbraw/zinc/96/05/33/375960533.db2.gz IFDCESDWQRHARV-UHFFFAOYSA-N 1 0 261.285 1.126 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261709616 190042912 /nfs/dbraw/zinc/04/29/12/190042912.db2.gz PBQOVZLRXBBUGC-OLZOCXBDSA-N 1 0 289.335 1.205 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261748701 190043276 /nfs/dbraw/zinc/04/32/76/190043276.db2.gz SYFIGMMDCIROFO-OLZOCXBDSA-N 1 0 289.335 1.205 20 5 CDBDRO CS[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000296443177 376150242 /nfs/dbraw/zinc/15/02/42/376150242.db2.gz WCSBNDDVFZKXLA-NSHDSACASA-N 1 0 295.364 1.631 20 5 CDBDRO C[C@H]1C[C@@H](C(=O)NCCc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000262338574 190053589 /nfs/dbraw/zinc/05/35/89/190053589.db2.gz FXMWRKNXRZMSCG-AAEUAGOBSA-N 1 0 291.351 1.642 20 5 CDBDRO Cc1c(C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000262778931 190062698 /nfs/dbraw/zinc/06/26/98/190062698.db2.gz LYUZFYWCAPRXMH-MNOVXSKESA-N 1 0 277.324 1.726 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000262979679 190065900 /nfs/dbraw/zinc/06/59/00/190065900.db2.gz YPBBZQYGKDYWCY-GHMZBOCLSA-N 1 0 293.323 1.230 20 5 CDBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000263739998 190076219 /nfs/dbraw/zinc/07/62/19/190076219.db2.gz OIPOKDGEEJOELO-UHFFFAOYSA-N 1 0 283.353 1.870 20 5 CDBDRO COc1cc(C(=O)NC[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000171275493 376508119 /nfs/dbraw/zinc/50/81/19/376508119.db2.gz FQWNRFJYLFGSFL-LLVKDONJSA-N 1 0 293.323 1.427 20 5 CDBDRO COCC[N@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000263812019 190080651 /nfs/dbraw/zinc/08/06/51/190080651.db2.gz XCNOENXYYZYQIM-UHFFFAOYSA-N 1 0 295.339 1.211 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000189311960 377229296 /nfs/dbraw/zinc/22/92/96/377229296.db2.gz NQXSBQABTLUBST-GSCMRRPUSA-N 1 0 289.335 1.865 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000264955870 190147737 /nfs/dbraw/zinc/14/77/37/190147737.db2.gz MCQUPOQMTXJTQL-SNVBAGLBSA-N 1 0 250.302 1.378 20 5 CDBDRO C[C@H](O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000131128598 299487129 /nfs/dbraw/zinc/48/71/29/299487129.db2.gz QMRMDVJFVBKQAY-GWCFXTLKSA-N 1 0 264.325 1.886 20 5 CDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000265294329 190172949 /nfs/dbraw/zinc/17/29/49/190172949.db2.gz KZQSHVHJXMXTAI-SNVBAGLBSA-N 1 0 280.328 1.337 20 5 CDBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000265460122 190183730 /nfs/dbraw/zinc/18/37/30/190183730.db2.gz XCOWQSCDGQXCFC-LBPRGKRZSA-N 1 0 295.339 1.190 20 5 CDBDRO C[NH+](C)C1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000345289026 377816718 /nfs/dbraw/zinc/81/67/18/377816718.db2.gz SXOIHGOUTUFRRV-UHFFFAOYSA-N 1 0 267.260 1.120 20 5 CDBDRO C[C@H]([NH2+]CC(=O)N(C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296702786 377831504 /nfs/dbraw/zinc/83/15/04/377831504.db2.gz LBMZHYGOOQEPKY-JTQLQIEISA-N 1 0 277.324 1.866 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CCC[N@H+](C)C1 ZINC000265997982 190221661 /nfs/dbraw/zinc/22/16/61/190221661.db2.gz RKZXNQWFKTWRBY-SECBINFHSA-N 1 0 266.301 1.089 20 5 CDBDRO CC[NH+](CC)CCSc1c([N+](=O)[O-])ncn1C ZINC000266145009 190234486 /nfs/dbraw/zinc/23/44/86/190234486.db2.gz ROYPCAMTHANUKS-UHFFFAOYSA-N 1 0 258.347 1.762 20 5 CDBDRO COc1ccc(C[N@H+](C[C@@H](C)O)[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000190865803 378992891 /nfs/dbraw/zinc/99/28/91/378992891.db2.gz PXINUFKIZOIJMZ-WDEREUQCSA-N 1 0 298.339 1.167 20 5 CDBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444709327 250172369 /nfs/dbraw/zinc/17/23/69/250172369.db2.gz QFFIWTYTSBRBNX-LBPRGKRZSA-N 1 0 292.339 1.968 20 5 CDBDRO CC1(C)CCCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000446060547 250259900 /nfs/dbraw/zinc/25/99/00/250259900.db2.gz MSDOKALAOJISSF-CYBMUJFWSA-N 1 0 296.371 1.664 20 5 CDBDRO C[C@H](CO)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447548070 250385155 /nfs/dbraw/zinc/38/51/55/250385155.db2.gz FTEUCOGKXQTNER-QJPTWQEYSA-N 1 0 282.344 1.493 20 5 CDBDRO COCC[N@@H+]1CC[C@@H](Nc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000266844427 190284322 /nfs/dbraw/zinc/28/43/22/190284322.db2.gz OGMINWNVMHCFDO-LLVKDONJSA-N 1 0 280.328 1.431 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]2CCO)c1 ZINC000174855274 379592371 /nfs/dbraw/zinc/59/23/71/379592371.db2.gz HZSNBKSJGBQXSH-LLVKDONJSA-N 1 0 268.317 1.028 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCOCCO ZINC000449231214 250755329 /nfs/dbraw/zinc/75/53/29/250755329.db2.gz OHCRSSXFFRKIEG-LBPRGKRZSA-N 1 0 282.340 1.514 20 5 CDBDRO CCc1cc(NCCn2cc([N+](=O)[O-])cn2)cc[nH+]1 ZINC000450387640 251257328 /nfs/dbraw/zinc/25/73/28/251257328.db2.gz GSNYNYUWXOPWLR-UHFFFAOYSA-N 1 0 261.285 1.283 20 5 CDBDRO O=C(NCC[C@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000110791281 295654919 /nfs/dbraw/zinc/65/49/19/295654919.db2.gz IUHKDRHUOFHCHX-LLVKDONJSA-N 1 0 277.324 1.714 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)CN(C)C ZINC000453098624 252268922 /nfs/dbraw/zinc/26/89/22/252268922.db2.gz JQSQEHCICIHLGB-AAEUAGOBSA-N 1 0 281.356 1.038 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493059559 253358979 /nfs/dbraw/zinc/35/89/79/253358979.db2.gz XLXSMVSYRDAZSS-OMMCCPJFSA-N 1 0 263.297 1.319 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3[NH2+]CC[C@H]3C2)s1 ZINC000261540674 285177401 /nfs/dbraw/zinc/17/74/01/285177401.db2.gz AIMZZBQHEIEYTR-JGVFFNPUSA-N 1 0 254.315 1.240 20 5 CDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000281834825 390435284 /nfs/dbraw/zinc/43/52/84/390435284.db2.gz INUHJOOMFKQBRN-IONNQARKSA-N 1 0 268.342 1.946 20 5 CDBDRO C[NH2+][C@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000261577507 390474581 /nfs/dbraw/zinc/47/45/81/390474581.db2.gz CTCGCCZYEJAHLD-ZETCQYMHSA-N 1 0 279.325 1.398 20 5 CDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H]1O ZINC000286667164 390585635 /nfs/dbraw/zinc/58/56/35/390585635.db2.gz UYIZHFVVPWEJRQ-ZIAGYGMSSA-N 1 0 264.325 1.983 20 5 CDBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000358307691 390553711 /nfs/dbraw/zinc/55/37/11/390553711.db2.gz ITMJNJMCVHKYLM-SNVBAGLBSA-N 1 0 297.359 1.179 20 5 CDBDRO CC(C)[C@@H](CO)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000451604420 390635146 /nfs/dbraw/zinc/63/51/46/390635146.db2.gz YVBHZKORWGESLY-OCCSQVGLSA-N 1 0 298.387 1.670 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CNCCO1 ZINC000415091916 391014832 /nfs/dbraw/zinc/01/48/32/391014832.db2.gz DLYHQJSEOQURBX-MASHWEEQSA-N 1 0 277.324 1.186 20 5 CDBDRO C[C@@H]1CC[N@H+](C)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000344446292 390990610 /nfs/dbraw/zinc/99/06/10/390990610.db2.gz ZQHZDLLQWJTMCY-SNVBAGLBSA-N 1 0 250.302 1.520 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180892339 391010013 /nfs/dbraw/zinc/01/00/13/391010013.db2.gz KKULBUPXKWHUPH-SNVBAGLBSA-N 1 0 292.339 1.391 20 5 CDBDRO COc1ccc(NC(=O)N[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415429503 391413437 /nfs/dbraw/zinc/41/34/37/391413437.db2.gz BBRMSXRTJGMGNB-VIFPVBQESA-N 1 0 280.284 1.087 20 5 CDBDRO C[NH2+]CCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000415437982 391431205 /nfs/dbraw/zinc/43/12/05/391431205.db2.gz PNFVMPMAMVULOH-UHFFFAOYSA-N 1 0 252.274 1.244 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000322965132 391463025 /nfs/dbraw/zinc/46/30/25/391463025.db2.gz VPPRXERZIZRABF-JTQLQIEISA-N 1 0 281.312 1.088 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415627992 391469649 /nfs/dbraw/zinc/46/96/49/391469649.db2.gz DCLXJCAWLYGVRI-UFBFGSQYSA-N 1 0 296.302 1.853 20 5 CDBDRO [NH3+][C@@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000415629794 391469654 /nfs/dbraw/zinc/46/96/54/391469654.db2.gz IZTOGJSKWWBLFD-NSHDSACASA-N 1 0 282.275 1.593 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415636660 391470410 /nfs/dbraw/zinc/47/04/10/391470410.db2.gz YCDOHHPDSJSNMS-LURJTMIESA-N 1 0 256.237 1.203 20 5 CDBDRO COC[C@@H](CCO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268971416 391474232 /nfs/dbraw/zinc/47/42/32/391474232.db2.gz AOYNVQYNULMJNG-VXGBXAGGSA-N 1 0 282.340 1.951 20 5 CDBDRO CC[N@@H+]1CCCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000266248368 391480445 /nfs/dbraw/zinc/48/04/45/391480445.db2.gz ZOBQYDLOROXXRJ-UHFFFAOYSA-N 1 0 264.329 1.830 20 5 CDBDRO CCN(C)C(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000184702252 391659777 /nfs/dbraw/zinc/65/97/77/391659777.db2.gz JWQBJBGMSFTQIQ-SNVBAGLBSA-N 1 0 265.313 1.724 20 5 CDBDRO NC(=O)c1cccc(NCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000341828050 130060102 /nfs/dbraw/zinc/06/01/02/130060102.db2.gz WQNDIJLQRPWFNP-UHFFFAOYSA-N 1 0 278.312 1.201 20 5 CDBDRO C[C@@H]([NH2+]C1CC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000449185627 392075425 /nfs/dbraw/zinc/07/54/25/392075425.db2.gz GXXOEZNRIFAYPK-SECBINFHSA-N 1 0 275.308 1.624 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235396607 130948879 /nfs/dbraw/zinc/94/88/79/130948879.db2.gz IUAHAHKVIOSWGX-KOLCDFICSA-N 1 0 263.297 1.465 20 5 CDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ncc([N+](=O)[O-])cn2)C1 ZINC000274023827 392766786 /nfs/dbraw/zinc/76/67/86/392766786.db2.gz WGUUPYVNKDDWCL-PWSUYJOCSA-N 1 0 277.328 1.305 20 5 CDBDRO O=C(NCCC[NH2+]C1CCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000419900068 392897656 /nfs/dbraw/zinc/89/76/56/392897656.db2.gz QEXAPBBBFMUIBD-UHFFFAOYSA-N 1 0 295.343 1.360 20 5 CDBDRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000419804402 392897786 /nfs/dbraw/zinc/89/77/86/392897786.db2.gz DALXGDFQPYVECV-STQMWFEESA-N 1 0 268.313 1.206 20 5 CDBDRO [NH3+]C[C@H]1CCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420200477 392903602 /nfs/dbraw/zinc/90/36/02/392903602.db2.gz NASBZXIMBOOGMN-LLVKDONJSA-N 1 0 289.295 1.572 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000417852149 392873881 /nfs/dbraw/zinc/87/38/81/392873881.db2.gz NTFYCAFGQUVSMA-CMPLNLGQSA-N 1 0 292.339 1.707 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](C)CC1 ZINC000523051923 392882316 /nfs/dbraw/zinc/88/23/16/392882316.db2.gz RSCFCXOOXBRECU-UHFFFAOYSA-N 1 0 280.328 1.005 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000423059754 392958698 /nfs/dbraw/zinc/95/86/98/392958698.db2.gz GJTDTNGPMPJTKC-CYBMUJFWSA-N 1 0 293.323 1.347 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@](C)(C[NH3+])C1CC1 ZINC000430547118 393101401 /nfs/dbraw/zinc/10/14/01/393101401.db2.gz FEDOHKQAWKTOHQ-AWEZNQCLSA-N 1 0 279.340 1.820 20 5 CDBDRO [NH3+][C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000430610919 393102221 /nfs/dbraw/zinc/10/22/21/393102221.db2.gz MNLCLSSGSAPFDX-SNVBAGLBSA-N 1 0 289.295 1.178 20 5 CDBDRO CCC[NH2+][C@@H](C)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000449068350 393129764 /nfs/dbraw/zinc/12/97/64/393129764.db2.gz AWXXFXRPRWTIJS-NSHDSACASA-N 1 0 294.355 1.511 20 5 CDBDRO CN(CC[NH3+])C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493684716 393217361 /nfs/dbraw/zinc/21/73/61/393217361.db2.gz KBMOKWAHLIOWBX-HYXAFXHYSA-N 1 0 267.260 1.164 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+](C)C ZINC000061499182 139631214 /nfs/dbraw/zinc/63/12/14/139631214.db2.gz OPNWNKCKQLDWPM-UHFFFAOYSA-N 1 0 295.339 1.673 20 5 CDBDRO COC[C@@H](O)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000129743723 139816346 /nfs/dbraw/zinc/81/63/46/139816346.db2.gz CAKJCWNGVAXMAY-AAEUAGOBSA-N 1 0 282.340 1.513 20 5 CDBDRO [NH3+]C1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000130766081 139829498 /nfs/dbraw/zinc/82/94/98/139829498.db2.gz SBEVXBLJBNJZOP-UHFFFAOYSA-N 1 0 281.287 1.734 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000164805088 139922657 /nfs/dbraw/zinc/92/26/57/139922657.db2.gz AIORIXPZQLDJQD-UHFFFAOYSA-N 1 0 281.312 1.285 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](CCO)C2CCCCC2)c1 ZINC000183713968 140030000 /nfs/dbraw/zinc/03/00/00/140030000.db2.gz IDPWOLKLSZCOJD-AWEZNQCLSA-N 1 0 296.371 1.712 20 5 CDBDRO CCc1nn(C)c(N2C[C@H](C[NH3+])C[C@@H]2C)c1[N+](=O)[O-] ZINC000216167019 140162467 /nfs/dbraw/zinc/16/24/67/140162467.db2.gz ANBDWCXUNOEGLF-IUCAKERBSA-N 1 0 267.333 1.064 20 5 CDBDRO COc1cc(N2CC[C@H]([NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000227859976 140188584 /nfs/dbraw/zinc/18/85/84/140188584.db2.gz PDYYHZTUTBFKEA-ZETCQYMHSA-N 1 0 255.249 1.280 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]([NH3+])CC(C)C)cccc1[N+](=O)[O-] ZINC000231856882 140219702 /nfs/dbraw/zinc/21/97/02/140219702.db2.gz PJTPZWCKLALXGL-LBPRGKRZSA-N 1 0 279.340 1.893 20 5 CDBDRO C[C@H]1[C@H]([NH3+])CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261599416 140361291 /nfs/dbraw/zinc/36/12/91/140361291.db2.gz PPFLJGOIBGPVEB-GZMMTYOYSA-N 1 0 264.285 1.548 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000261622794 140364608 /nfs/dbraw/zinc/36/46/08/140364608.db2.gz AIFWVDDYVBAXSU-DGCLKSJQSA-N 1 0 291.351 1.723 20 5 CDBDRO Cc1c(NC(=O)CCN2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000261639675 140367458 /nfs/dbraw/zinc/36/74/58/140367458.db2.gz DNIIOAGJOXGNCS-UHFFFAOYSA-N 1 0 292.339 1.137 20 5 CDBDRO C[C@]1(C[NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000261710449 140378700 /nfs/dbraw/zinc/37/87/00/140378700.db2.gz JKCUPTNJXWUPEY-CYBMUJFWSA-N 1 0 281.287 1.545 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000261796107 140389632 /nfs/dbraw/zinc/38/96/32/140389632.db2.gz VICCRVIOBIAYFO-UHFFFAOYSA-N 1 0 289.335 1.811 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]C1 ZINC000423197383 397602479 /nfs/dbraw/zinc/60/24/79/397602479.db2.gz ZERNPAOSDGRJKV-DGCLKSJQSA-N 1 0 263.341 1.867 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000033093658 397883527 /nfs/dbraw/zinc/88/35/27/397883527.db2.gz BFUFBGXMGWBKBH-QMMMGPOBSA-N 1 0 285.731 1.928 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000135220250 397910183 /nfs/dbraw/zinc/91/01/83/397910183.db2.gz MVHOOMWTNZYCOO-SECBINFHSA-N 1 0 281.287 1.463 20 5 CDBDRO CC(C)(C)[C@H]([NH3+])C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000150755202 398131424 /nfs/dbraw/zinc/13/14/24/398131424.db2.gz NEKZNRIQCHLKTG-GFCCVEGCSA-N 1 0 294.355 1.496 20 5 CDBDRO COc1ccc(CNC(=O)[C@@H](C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000262284381 149045804 /nfs/dbraw/zinc/04/58/04/149045804.db2.gz XQMWSMBOYJKGMV-VIFPVBQESA-N 1 0 293.323 1.075 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000262851373 149122206 /nfs/dbraw/zinc/12/22/06/149122206.db2.gz KBIOCAQRZKJRKK-VHSXEESVSA-N 1 0 293.323 1.474 20 5 CDBDRO CO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000310839305 149203433 /nfs/dbraw/zinc/20/34/33/149203433.db2.gz LYNYPCQZKPYJND-LLVKDONJSA-N 1 0 254.261 1.955 20 5 CDBDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000312618905 149235841 /nfs/dbraw/zinc/23/58/41/149235841.db2.gz WGPPVPNWAVBUGY-RNCFNFMXSA-N 1 0 284.287 1.363 20 5 CDBDRO Cn1c(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000352596656 155293224 /nfs/dbraw/zinc/29/32/24/155293224.db2.gz CBNPWURDMWNSIU-ZYHUDNBSSA-N 1 0 292.339 1.100 20 5 CDBDRO [NH3+]CCN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000342409932 151827477 /nfs/dbraw/zinc/82/74/77/151827477.db2.gz CZVDWUKBVMFOJK-UHFFFAOYSA-N 1 0 289.339 1.252 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]([NH3+])C1 ZINC000346080390 153045216 /nfs/dbraw/zinc/04/52/16/153045216.db2.gz CXCKAILECUOLCG-NSHDSACASA-N 1 0 292.339 1.265 20 5 CDBDRO COC(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000362999784 159287484 /nfs/dbraw/zinc/28/74/84/159287484.db2.gz AYDSOPULTMNSNE-UHFFFAOYSA-N 1 0 282.271 1.777 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000363097785 159296086 /nfs/dbraw/zinc/29/60/86/159296086.db2.gz KECKGDFHAVPLBS-TZMCWYRMSA-N 1 0 289.335 1.951 20 5 CDBDRO COC(=O)CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373233751 160183930 /nfs/dbraw/zinc/18/39/30/160183930.db2.gz UCSYHYCORDOUBW-UHFFFAOYSA-N 1 0 296.327 1.381 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1CN1CCNC(=O)C[C@@H]1C ZINC000373786009 160226997 /nfs/dbraw/zinc/22/69/97/160226997.db2.gz DVWYYPUFGDTOJW-JTQLQIEISA-N 1 0 293.323 1.314 20 5 CDBDRO COC[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000285308247 196246210 /nfs/dbraw/zinc/24/62/10/196246210.db2.gz SJMSGWFUXPBBTJ-ONGXEEELSA-N 1 0 283.328 1.489 20 5 CDBDRO CC(C)(C)CC(C)(C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000043434689 175044502 /nfs/dbraw/zinc/04/45/02/175044502.db2.gz JVGJNBNAEJFHOY-GFCCVEGCSA-N 1 0 298.387 1.957 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[NH3+] ZINC000044747727 175243461 /nfs/dbraw/zinc/24/34/61/175243461.db2.gz WPQLRFIFPUYFTG-UHFFFAOYSA-N 1 0 251.286 1.372 20 5 CDBDRO CNC(=O)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000044988721 175285519 /nfs/dbraw/zinc/28/55/19/175285519.db2.gz GBOAEBSXJKTGLZ-JTQLQIEISA-N 1 0 265.313 1.690 20 5 CDBDRO CCCNC(=O)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000045072399 175301876 /nfs/dbraw/zinc/30/18/76/175301876.db2.gz AHGZVKFTFHFUAK-UHFFFAOYSA-N 1 0 265.313 1.601 20 5 CDBDRO C[NH2+]C[C@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000071146056 176042139 /nfs/dbraw/zinc/04/21/39/176042139.db2.gz JBNLQXPTSPYKHB-SNVBAGLBSA-N 1 0 267.304 1.775 20 5 CDBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1C[NH3+] ZINC000397370271 270350283 /nfs/dbraw/zinc/35/02/83/270350283.db2.gz GZIJZEHDWIAGNR-OPRDCNLKSA-N 1 0 280.328 1.368 20 5 CDBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415380913 273520827 /nfs/dbraw/zinc/52/08/27/273520827.db2.gz HOUKPEPLOFJJFY-CYBMUJFWSA-N 1 0 295.343 1.297 20 5 CDBDRO C[C@@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090795118 274395062 /nfs/dbraw/zinc/39/50/62/274395062.db2.gz ZAUYEQCUJISKJM-ZJUUUORDSA-N 1 0 250.302 1.884 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000236052182 275041350 /nfs/dbraw/zinc/04/13/50/275041350.db2.gz RQJQCSSNWMBFEK-ZETCQYMHSA-N 1 0 256.693 1.807 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000158423269 275041396 /nfs/dbraw/zinc/04/13/96/275041396.db2.gz XKBRWLFXJDZZKR-NXEZZACHSA-N 1 0 263.301 1.424 20 5 CDBDRO CC[NH+](CC)[C@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000273608055 276120763 /nfs/dbraw/zinc/12/07/63/276120763.db2.gz KZVZWVZGEIMKKV-JTQLQIEISA-N 1 0 265.317 1.305 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000053202400 277039439 /nfs/dbraw/zinc/03/94/39/277039439.db2.gz GJOKTDKMUZZPJN-LLVKDONJSA-N 1 0 277.324 1.727 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000127685796 277284824 /nfs/dbraw/zinc/28/48/24/277284824.db2.gz QEQHQWNYRYWXHW-GFCCVEGCSA-N 1 0 277.324 1.727 20 5 CDBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000451585316 277346183 /nfs/dbraw/zinc/34/61/83/277346183.db2.gz BAMMTVQMFPJTKJ-ZJUUUORDSA-N 1 0 296.327 1.150 20 5 CDBDRO COc1cc(N(C)C2C[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000227860619 277824360 /nfs/dbraw/zinc/82/43/60/277824360.db2.gz MVVYCDNDPWRWLY-UHFFFAOYSA-N 1 0 255.249 1.151 20 5 CDBDRO C[C@@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163981924 278559112 /nfs/dbraw/zinc/55/91/12/278559112.db2.gz KHBVSLWYTQOVCV-BDAKNGLRSA-N 1 0 295.368 1.725 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@@H+](C3CC3)C2)nc1 ZINC000040454704 279142468 /nfs/dbraw/zinc/14/24/68/279142468.db2.gz RJQBWJBGKUHNIB-VIFPVBQESA-N 1 0 263.301 1.281 20 5 CDBDRO CCC[NH2+]CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000054264140 279184285 /nfs/dbraw/zinc/18/42/85/279184285.db2.gz NGXKNGPZSJNINA-VMPITWQZSA-N 1 0 277.324 1.724 20 5 CDBDRO COCCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000066865602 279201286 /nfs/dbraw/zinc/20/12/86/279201286.db2.gz HJDGJRMSJKUZJX-NSHDSACASA-N 1 0 295.339 1.890 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000108346997 279306304 /nfs/dbraw/zinc/30/63/04/279306304.db2.gz HYWOTYMDJLHZAN-LBPRGKRZSA-N 1 0 291.351 1.975 20 5 CDBDRO CN(C)C(=O)C(C)(C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000114457530 279338528 /nfs/dbraw/zinc/33/85/28/279338528.db2.gz QDPBXJQUQUWCPC-UHFFFAOYSA-N 1 0 295.339 1.430 20 5 CDBDRO CC1(C)CC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000132494711 279707630 /nfs/dbraw/zinc/70/76/30/279707630.db2.gz SOLNSINTXRZWFI-ZYHUDNBSSA-N 1 0 282.344 1.321 20 5 CDBDRO C[NH+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000193878330 280014986 /nfs/dbraw/zinc/01/49/86/280014986.db2.gz OMSNSRBAUKEXSH-UHFFFAOYSA-N 1 0 286.719 1.931 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000211376656 280085256 /nfs/dbraw/zinc/08/52/56/280085256.db2.gz OUPJXGQMXCGXPG-LJTDUEICSA-N 1 0 289.335 1.818 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000212555522 280087035 /nfs/dbraw/zinc/08/70/35/280087035.db2.gz QGQQYLBHHRVPPB-PBWNMSGQSA-N 1 0 289.335 1.817 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000237285659 280168558 /nfs/dbraw/zinc/16/85/58/280168558.db2.gz OTWNMIVXLUDJBI-LLVKDONJSA-N 1 0 279.340 1.499 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000044540733 281015836 /nfs/dbraw/zinc/01/58/36/281015836.db2.gz UPKWGTWAMFCHJG-GFCCVEGCSA-N 1 0 277.324 1.857 20 5 CDBDRO Cc1ccnc(N2CC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000301246519 281462076 /nfs/dbraw/zinc/46/20/76/281462076.db2.gz ASZHVEFPPBDEEM-LBPRGKRZSA-N 1 0 276.340 1.973 20 5 CDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)C(C)(C)C[NH+](C)C ZINC000530773955 281596680 /nfs/dbraw/zinc/59/66/80/281596680.db2.gz PIJSAENAYZKIHU-JTQLQIEISA-N 1 0 296.371 1.639 20 5 CDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[N@H+](C)C1CC1 ZINC000551117966 290000701 /nfs/dbraw/zinc/00/07/01/290000701.db2.gz AJBLRJAEQCOSTI-VIFPVBQESA-N 1 0 280.328 1.146 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000320291323 292929599 /nfs/dbraw/zinc/92/95/99/292929599.db2.gz YQNCDYIVQUXPKT-ZJUUUORDSA-N 1 0 265.313 1.759 20 5 CDBDRO CCC[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000562687029 293175337 /nfs/dbraw/zinc/17/53/37/293175337.db2.gz NGYASBPZODKVLZ-CYBMUJFWSA-N 1 0 294.355 1.273 20 5 CDBDRO COc1cccc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000261848966 295306110 /nfs/dbraw/zinc/30/61/10/295306110.db2.gz WOGXHJZZNUFVKV-GHMZBOCLSA-N 1 0 277.324 1.792 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2=CCCCC2)c1 ZINC000379794615 323607138 /nfs/dbraw/zinc/60/71/38/323607138.db2.gz CDHUMEVOASSWBR-ZDUSSCGKSA-N 1 0 280.328 1.242 20 5 CDBDRO Cc1cc(C(=O)N[C@H](C)[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000381381001 323626036 /nfs/dbraw/zinc/62/60/36/323626036.db2.gz PFSPHEVHOIPNHN-DTWKUNHWSA-N 1 0 251.286 1.369 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000382915359 323654726 /nfs/dbraw/zinc/65/47/26/323654726.db2.gz KGUYMKSRRZRPOS-FPLPWBNLSA-N 1 0 277.324 1.676 20 5 CDBDRO [NH3+]C1(CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CCC1 ZINC000383115035 323659700 /nfs/dbraw/zinc/65/97/00/323659700.db2.gz SBJSYUSYFKSIQT-WAYWQWQTSA-N 1 0 275.308 1.606 20 5 CDBDRO C[C@@H]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@H]1C[NH3+] ZINC000397280915 323862300 /nfs/dbraw/zinc/86/23/00/323862300.db2.gz SAPCIMMODRELFE-OUAUKWLOSA-N 1 0 294.355 1.379 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cc[nH]n2)n1 ZINC000578832503 324032357 /nfs/dbraw/zinc/03/23/57/324032357.db2.gz SQPXTJBXQIYIQQ-NWDGAFQWSA-N 1 0 290.327 1.788 20 5 CDBDRO CC(=O)NCC[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000582783818 325042466 /nfs/dbraw/zinc/04/24/66/325042466.db2.gz UNNVSHSVGOQOCQ-UHFFFAOYSA-N 1 0 265.313 1.205 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000582906185 325067550 /nfs/dbraw/zinc/06/75/50/325067550.db2.gz LAQGPWFTPQAPET-GHMZBOCLSA-N 1 0 292.339 1.385 20 5 CDBDRO Cc1nc(Cl)nc(O[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000302677402 1159846814 /nfs/dbraw/zinc/84/68/14/1159846814.db2.gz OGADIRAVIYHIMG-ZETCQYMHSA-N 1 0 272.692 1.430 20 5 CDBDRO Cc1c(CNC(=O)N2CC[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000418075767 533853530 /nfs/dbraw/zinc/85/35/30/533853530.db2.gz FMKQHDUAANEXHA-JTQLQIEISA-N 1 0 292.339 1.407 20 5 CDBDRO CC(C)[C@@H]([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943205 519796164 /nfs/dbraw/zinc/79/61/64/519796164.db2.gz DYSWVMBOSSQWJC-LLVKDONJSA-N 1 0 251.286 1.194 20 5 CDBDRO CC[NH2+]CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000236918779 519921228 /nfs/dbraw/zinc/92/12/28/519921228.db2.gz IXJFELRZKUVXRU-UHFFFAOYSA-N 1 0 285.731 1.516 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000050708064 523815603 /nfs/dbraw/zinc/81/56/03/523815603.db2.gz LLIUQFYZSRQHPS-JTQLQIEISA-N 1 0 292.339 1.249 20 5 CDBDRO Cc1ccnc(N2CC[C@@H](C)[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000163978645 525672732 /nfs/dbraw/zinc/67/27/32/525672732.db2.gz KABPHWCUEQKZFQ-MWLCHTKSSA-N 1 0 264.329 1.719 20 5 CDBDRO CC1(C)C([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000092816816 1174405098 /nfs/dbraw/zinc/40/50/98/1174405098.db2.gz FKBCKHNITRIHGM-JTQLQIEISA-N 1 0 282.344 1.176 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000050708659 527504389 /nfs/dbraw/zinc/50/43/89/527504389.db2.gz UFIXISIPBKUSKG-VIFPVBQESA-N 1 0 290.323 1.144 20 5 CDBDRO CCC[NH2+]CCNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000415440266 535168608 /nfs/dbraw/zinc/16/86/08/535168608.db2.gz NXAYYHHFWPTRAE-UHFFFAOYSA-N 1 0 296.327 1.725 20 5 CDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)n1 ZINC000427378452 536094528 /nfs/dbraw/zinc/09/45/28/536094528.db2.gz CKBGWQCQEOEUEF-VHSXEESVSA-N 1 0 295.343 1.024 20 5 CDBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000261694707 536346747 /nfs/dbraw/zinc/34/67/47/536346747.db2.gz HSBJVGZHCLCYOD-QMMMGPOBSA-N 1 0 262.269 1.795 20 5 CDBDRO COC[C@]1(CNc2cccc(OC)c2[N+](=O)[O-])CCC[NH2+]1 ZINC000261798909 536687383 /nfs/dbraw/zinc/68/73/83/536687383.db2.gz YMWFZIJGBKVNDA-CQSZACIVSA-N 1 0 295.339 1.784 20 5 CDBDRO Cc1nn(C)c(NCC[N@H+]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000742425160 576602144 /nfs/dbraw/zinc/60/21/44/576602144.db2.gz LDBMMQSJVOADBC-SECBINFHSA-N 1 0 267.333 1.533 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](CCO)c2cccs2)n1 ZINC000754382670 576894160 /nfs/dbraw/zinc/89/41/60/576894160.db2.gz HHQUOIWRBXPQNY-JTQLQIEISA-N 1 0 296.352 1.566 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H](CCO)C2)c1 ZINC000750050085 576973608 /nfs/dbraw/zinc/97/36/08/576973608.db2.gz ALANKIOREVJXIE-SWLSCSKDSA-N 1 0 294.351 1.723 20 5 CDBDRO CCCC[N@H+](C)CCNc1c([N+](=O)[O-])cnn1C ZINC000892491729 617424011 /nfs/dbraw/zinc/42/40/11/617424011.db2.gz GOSREXFWFLXWRW-UHFFFAOYSA-N 1 0 255.322 1.472 20 5 CDBDRO COc1c(O)ccc(CN(C)C[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000891581456 617488006 /nfs/dbraw/zinc/48/80/06/617488006.db2.gz IUVAECKDSUVCMK-LLVKDONJSA-N 1 0 296.323 1.920 20 5 CDBDRO CCN(CCC[NH+](CC)CC)c1c([N+](=O)[O-])cnn1C ZINC000893425655 617869556 /nfs/dbraw/zinc/86/95/56/617869556.db2.gz BASCVIJDRFESFQ-UHFFFAOYSA-N 1 0 283.376 1.887 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000893871039 618111741 /nfs/dbraw/zinc/11/17/41/618111741.db2.gz CNKSSEWDOXPSOV-JTQLQIEISA-N 1 0 295.314 1.866 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000893872157 618116507 /nfs/dbraw/zinc/11/65/07/618116507.db2.gz QPBBHHNTJNDWFD-CYBMUJFWSA-N 1 0 277.324 1.348 20 5 CDBDRO COc1c(O)ccc(C[NH2+]C[C@@H](C)OC)c1[N+](=O)[O-] ZINC000893911537 618169703 /nfs/dbraw/zinc/16/97/03/618169703.db2.gz QQPMQDWZQQHRMM-MRVPVSSYSA-N 1 0 270.285 1.434 20 5 CDBDRO C[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[NH+](C)C ZINC000804344974 618479345 /nfs/dbraw/zinc/47/93/45/618479345.db2.gz DLFQHLSPIMXYOI-MRVPVSSYSA-N 1 0 268.273 1.865 20 5 CDBDRO [NH3+][C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843047381 618689541 /nfs/dbraw/zinc/68/95/41/618689541.db2.gz SRBNKAJFTFVDOX-VIFPVBQESA-N 1 0 255.705 1.781 20 5 CDBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CC[C@@H](C)O2)c1[N+](=O)[O-] ZINC000894815950 619072068 /nfs/dbraw/zinc/07/20/68/619072068.db2.gz BUAOGNMFFGQGLH-MWLCHTKSSA-N 1 0 296.323 1.966 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1COCO1 ZINC000894886159 619122348 /nfs/dbraw/zinc/12/23/48/619122348.db2.gz CGHKVJSCBWFGIX-SNVBAGLBSA-N 1 0 272.688 1.711 20 5 CDBDRO Cc1cnc(N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000895246642 619492072 /nfs/dbraw/zinc/49/20/72/619492072.db2.gz OOTRGYCENRVFSG-YPMHNXCESA-N 1 0 293.371 1.344 20 5 CDBDRO CC1(C)CNC(=O)[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000895319263 619551871 /nfs/dbraw/zinc/55/18/71/619551871.db2.gz WLWYKAFWQIAQLH-IYNGYCSASA-N 1 0 289.335 1.722 20 5 CDBDRO O=[N+]([O-])c1ccc2nccc(N[C@H]3C[C@H](CO)C3)c2c1 ZINC000896695645 620204408 /nfs/dbraw/zinc/20/44/08/620204408.db2.gz YNKNPJPSDPVDIC-MGCOHNPYSA-N 1 0 273.292 1.748 20 5 CDBDRO CC(C)Oc1nc(N2CC[C@H](CC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000900376192 622951563 /nfs/dbraw/zinc/95/15/63/622951563.db2.gz SZTAIPFNADFXGM-NSHDSACASA-N 1 0 294.355 1.952 20 5 CDBDRO CC(C)C[C@H]1C[N@H+](C)CCN1Cn1nccc1[N+](=O)[O-] ZINC000902544006 624906626 /nfs/dbraw/zinc/90/66/26/624906626.db2.gz VJHZHMWTRLXEHR-LBPRGKRZSA-N 1 0 281.360 1.411 20 5 CDBDRO C[C@H]([NH2+]C1CCN(C=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903289604 625965006 /nfs/dbraw/zinc/96/50/06/625965006.db2.gz VDFXESODMPVQEI-NSHDSACASA-N 1 0 277.324 1.866 20 5 CDBDRO CCN(CC)[C@@H](C[NH2+]CC[N+](=O)[O-])c1ccco1 ZINC000905066841 626614351 /nfs/dbraw/zinc/61/43/51/626614351.db2.gz UENKVEIDLDNEPW-NSHDSACASA-N 1 0 255.318 1.529 20 5 CDBDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905204145 626690022 /nfs/dbraw/zinc/69/00/22/626690022.db2.gz YALFJFUIPJTIOC-SKDRFNHKSA-N 1 0 256.277 1.768 20 5 CDBDRO CCO[C@@H]1C[C@H]([NH2+]CC[N+](=O)[O-])[C@@H]1Oc1ccccc1 ZINC000905216817 626696365 /nfs/dbraw/zinc/69/63/65/626696365.db2.gz HSQHSNISWAYLLH-MJBXVCDLSA-N 1 0 280.324 1.478 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000905280326 626734299 /nfs/dbraw/zinc/73/42/99/626734299.db2.gz NUWHNTLHOJIGOH-NXEZZACHSA-N 1 0 256.327 1.835 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000905376358 626791803 /nfs/dbraw/zinc/79/18/03/626791803.db2.gz TXFGDWOYNJIXAN-QWHCGFSZSA-N 1 0 250.298 1.019 20 5 CDBDRO [NH3+]C1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000911620378 629367720 /nfs/dbraw/zinc/36/77/20/629367720.db2.gz QQQVIYFCTAUBNN-UONOGXRCSA-N 1 0 289.335 1.648 20 5 CDBDRO O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911698496 629422523 /nfs/dbraw/zinc/42/25/23/629422523.db2.gz JOFXKDCFSMCCLQ-RAIGVLPGSA-N 1 0 275.308 1.176 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000911698212 629422826 /nfs/dbraw/zinc/42/28/26/629422826.db2.gz HDFZLCUWLAYNFV-MRVPVSSYSA-N 1 0 281.337 1.408 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911787401 629511449 /nfs/dbraw/zinc/51/14/49/629511449.db2.gz JSZOUARETQZMLS-SNVBAGLBSA-N 1 0 295.364 1.751 20 5 CDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCCC[NH+](C)C ZINC000912592079 630081811 /nfs/dbraw/zinc/08/18/11/630081811.db2.gz LUNIRLRFDXERMQ-UHFFFAOYSA-N 1 0 295.339 1.769 20 5 CDBDRO C[N@@H+]1CC[C@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000915090424 631647980 /nfs/dbraw/zinc/64/79/80/631647980.db2.gz VESQPRRSVKCDBY-LBPRGKRZSA-N 1 0 278.312 1.098 20 5 CDBDRO CCN(CCOC)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000921046065 632872568 /nfs/dbraw/zinc/87/25/68/632872568.db2.gz GJXADMSEXXMWPD-UHFFFAOYSA-N 1 0 295.295 1.429 20 5 CDBDRO CC1=CC[N@H+](CCNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000828499379 682460638 /nfs/dbraw/zinc/46/06/38/682460638.db2.gz WZFUSKIBZRYUKE-UHFFFAOYSA-N 1 0 283.372 1.590 20 5 CDBDRO Cc1cc(NC[C@H](O)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000717384753 684018560 /nfs/dbraw/zinc/01/85/60/684018560.db2.gz LCRMQZJCKWUPTB-NSHDSACASA-N 1 0 253.302 1.238 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCc3cccnc32)c1 ZINC000886553150 679700956 /nfs/dbraw/zinc/70/09/56/679700956.db2.gz FAKNSMLRIVULJM-GFCCVEGCSA-N 1 0 273.296 1.463 20 5 CDBDRO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000261588434 679706540 /nfs/dbraw/zinc/70/65/40/679706540.db2.gz KDXYLQSXSKOHIC-XCBNKYQSSA-N 1 0 283.715 1.810 20 5 CDBDRO O=C(C[NH+]1CCCC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000820769585 679726053 /nfs/dbraw/zinc/72/60/53/679726053.db2.gz IEAFWUCBHUVXGR-UHFFFAOYSA-N 1 0 297.742 1.960 20 5 CDBDRO Cc1nn(CN(C)C[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000817375335 679731416 /nfs/dbraw/zinc/73/14/16/679731416.db2.gz SQYUQJAMEZHTHH-NSHDSACASA-N 1 0 267.333 1.083 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882171902 679737692 /nfs/dbraw/zinc/73/76/92/679737692.db2.gz OPFDQWDDNVWEKX-VIFPVBQESA-N 1 0 268.292 1.517 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@H]3C[C@@]3(CO)C2)cc1 ZINC000782632862 679743446 /nfs/dbraw/zinc/74/34/46/679743446.db2.gz LXZILBGCRXRJAZ-RISCZKNCSA-N 1 0 278.308 1.288 20 5 CDBDRO Cc1cc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c(N)c([N+](=O)[O-])c1 ZINC000843506042 679749816 /nfs/dbraw/zinc/74/98/16/679749816.db2.gz HWVKIEPVIQMUBB-BDAKNGLRSA-N 1 0 280.328 1.341 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H]1C ZINC000827573970 679750189 /nfs/dbraw/zinc/75/01/89/679750189.db2.gz QORRHSQAOKVLFH-RYUDHWBXSA-N 1 0 285.388 1.763 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000873148650 679763509 /nfs/dbraw/zinc/76/35/09/679763509.db2.gz OAEIEBZHDVNMKE-CYBMUJFWSA-N 1 0 293.367 1.368 20 5 CDBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000227859481 679782857 /nfs/dbraw/zinc/78/28/57/679782857.db2.gz JPWOQWJEDQSVCC-GDLCADMTSA-N 1 0 280.324 1.785 20 5 CDBDRO CC(C)(CO)[NH+]1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000804461189 679812107 /nfs/dbraw/zinc/81/21/07/679812107.db2.gz DPDKJUPSWGBEHH-UHFFFAOYSA-N 1 0 294.355 1.070 20 5 CDBDRO C[Si](C)(C)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000839033842 679835183 /nfs/dbraw/zinc/83/51/83/679835183.db2.gz IVASIHSOOYPTGI-UHFFFAOYSA-N 1 0 294.431 1.989 20 5 CDBDRO CO[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000819127563 679835456 /nfs/dbraw/zinc/83/54/56/679835456.db2.gz IBWGMNOFIPPKFF-KBPBESRZSA-N 1 0 282.340 1.889 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CC12CCC2 ZINC000872249765 679839361 /nfs/dbraw/zinc/83/93/61/679839361.db2.gz CHVBXKGIGOTCAY-RISCZKNCSA-N 1 0 292.335 1.867 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CC[C@@H](O)[C@@H](O)CC2)c1 ZINC000886257540 679839996 /nfs/dbraw/zinc/83/99/96/679839996.db2.gz DBZUYHYFLKOIGW-UBSAEIQESA-N 1 0 280.324 1.349 20 5 CDBDRO C[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000886829794 679841654 /nfs/dbraw/zinc/84/16/54/679841654.db2.gz HEKWEOAUJNWJAS-ONGXEEELSA-N 1 0 250.302 1.159 20 5 CDBDRO [NH3+][C@@H](CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000831217670 679863246 /nfs/dbraw/zinc/86/32/46/679863246.db2.gz GOVJGBVCDPUFKE-LBPRGKRZSA-N 1 0 297.742 1.992 20 5 CDBDRO C[C@@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)C[NH+](C)C ZINC000865824519 679871623 /nfs/dbraw/zinc/87/16/23/679871623.db2.gz XJTWVWXEMLMHTC-VIFPVBQESA-N 1 0 285.319 1.836 20 5 CDBDRO COC(=O)N1CC([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873081652 679872282 /nfs/dbraw/zinc/87/22/82/679872282.db2.gz MOVPABZHSBSXIK-UHFFFAOYSA-N 1 0 293.323 1.752 20 5 CDBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000853123943 679872750 /nfs/dbraw/zinc/87/27/50/679872750.db2.gz AINUFYNVVIDUMV-MFKMUULPSA-N 1 0 290.323 1.713 20 5 CDBDRO Cc1cccc(C(=O)N(C)C[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000311052880 681543621 /nfs/dbraw/zinc/54/36/21/681543621.db2.gz VGABDPRHCPHUGE-SECBINFHSA-N 1 0 251.286 1.322 20 5 CDBDRO C[NH+](C)CC(C)(C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000837245837 681569522 /nfs/dbraw/zinc/56/95/22/681569522.db2.gz KTDIHXYTMNURHV-UHFFFAOYSA-N 1 0 259.350 1.278 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H]2CO)cc1 ZINC000776581395 681808186 /nfs/dbraw/zinc/80/81/86/681808186.db2.gz DGBMBZPQSGZUPQ-QWHCGFSZSA-N 1 0 266.297 1.085 20 5 CDBDRO CCc1nn(C)c(NC[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000091562580 681812041 /nfs/dbraw/zinc/81/20/41/681812041.db2.gz RSFLAJUMZLKNPJ-VIFPVBQESA-N 1 0 267.333 1.302 20 5 CDBDRO COCCCC[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000842171041 681844965 /nfs/dbraw/zinc/84/49/65/681844965.db2.gz HUFAKNFNQYXRTQ-CQSZACIVSA-N 1 0 282.340 1.987 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCn2ccnc2)c1 ZINC000818957826 681855462 /nfs/dbraw/zinc/85/54/62/681855462.db2.gz HHSYYSGQYODEMK-ZDUSSCGKSA-N 1 0 276.296 1.115 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000818609709 681860246 /nfs/dbraw/zinc/86/02/46/681860246.db2.gz WJJAAYOKKUHZTP-SNVBAGLBSA-N 1 0 277.324 1.648 20 5 CDBDRO C[C@@H](CCCO)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843118046 681911520 /nfs/dbraw/zinc/91/15/20/681911520.db2.gz ZNLLHJDINWVPPI-FZMZJTMJSA-N 1 0 282.340 1.626 20 5 CDBDRO CC[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000923343379 681922828 /nfs/dbraw/zinc/92/28/28/681922828.db2.gz AJWXSPIJUVTDMC-KCPJHIHWSA-N 1 0 293.367 1.687 20 5 CDBDRO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC[NH2+]1 ZINC000856489518 681949916 /nfs/dbraw/zinc/94/99/16/681949916.db2.gz NVJJHJOKMLVEFT-CYBMUJFWSA-N 1 0 295.314 1.804 20 5 CDBDRO CON(C)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000850479596 681952705 /nfs/dbraw/zinc/95/27/05/681952705.db2.gz XSFPLCYYXBBKSZ-RYUDHWBXSA-N 1 0 297.359 1.358 20 5 CDBDRO CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000858584526 681983255 /nfs/dbraw/zinc/98/32/55/681983255.db2.gz SEEPMYYJJLWVSK-WDEREUQCSA-N 1 0 295.339 1.962 20 5 CDBDRO C[N@@H+]1CC[C@H]1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000712540913 681987531 /nfs/dbraw/zinc/98/75/31/681987531.db2.gz COKOMEYHYQDVSA-ZETCQYMHSA-N 1 0 267.314 1.420 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000886081079 682015105 /nfs/dbraw/zinc/01/51/05/682015105.db2.gz IPJOHDQHWONLGC-WCQYABFASA-N 1 0 277.324 1.848 20 5 CDBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCOC1 ZINC000776583312 682070528 /nfs/dbraw/zinc/07/05/28/682070528.db2.gz ZRLXRMWLEOJJLO-DOMZBBRYSA-N 1 0 294.351 1.987 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)[C@H]2CCCOC2)cc1F ZINC000839648271 682078821 /nfs/dbraw/zinc/07/88/21/682078821.db2.gz CFGDNVINOGDKOG-WCQYABFASA-N 1 0 298.314 1.611 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923434785 682204449 /nfs/dbraw/zinc/20/44/49/682204449.db2.gz AJNKVXAIKHOKIB-OHTBPHCPSA-N 1 0 293.367 1.699 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000886580746 682212624 /nfs/dbraw/zinc/21/26/24/682212624.db2.gz WKQZWWAAEGXKHH-MBNYWOFBSA-N 1 0 292.335 1.676 20 5 CDBDRO CCO[C@@H]1COC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832455860 682391968 /nfs/dbraw/zinc/39/19/68/682391968.db2.gz QWJUSMCIKWOWCG-MGPQQGTHSA-N 1 0 296.323 1.022 20 5 CDBDRO CC1(C)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000790452573 682417497 /nfs/dbraw/zinc/41/74/97/682417497.db2.gz QXIFYILETMBJJI-STQMWFEESA-N 1 0 280.324 1.331 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCN1CC[C@H](O)C1 ZINC000858339238 682434587 /nfs/dbraw/zinc/43/45/87/682434587.db2.gz SNUQQDRHRVQWBI-LBPRGKRZSA-N 1 0 299.758 1.404 20 5 CDBDRO Cn1c(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000810843902 682505852 /nfs/dbraw/zinc/50/58/52/682505852.db2.gz YNTKKOOZXJONBN-WDEREUQCSA-N 1 0 293.323 1.717 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000886194774 682525298 /nfs/dbraw/zinc/52/52/98/682525298.db2.gz ZEDPUZCNKZOWKD-CQSZACIVSA-N 1 0 277.324 1.992 20 5 CDBDRO CCn1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000819369350 682539595 /nfs/dbraw/zinc/53/95/95/682539595.db2.gz MPJIPWLXRDWUPE-AWEZNQCLSA-N 1 0 290.323 1.634 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000931040061 682589386 /nfs/dbraw/zinc/58/93/86/682589386.db2.gz WWDREPDXDGJLSB-ZYHUDNBSSA-N 1 0 281.360 1.124 20 5 CDBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1N)[NH+](C)C ZINC000700419079 682600051 /nfs/dbraw/zinc/60/00/51/682600051.db2.gz LWSPWHROEOXSLL-VIFPVBQESA-N 1 0 280.328 1.247 20 5 CDBDRO [NH3+]C[C@H](NCc1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000886839410 682621689 /nfs/dbraw/zinc/62/16/89/682621689.db2.gz DLAPSHYKHAWQJG-ZDUSSCGKSA-N 1 0 278.356 1.987 20 5 CDBDRO CC[C@H](C)[C@@H](O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843072444 682698890 /nfs/dbraw/zinc/69/88/90/682698890.db2.gz CGXWXFDUXUHYAG-LEWSCRJBSA-N 1 0 282.340 1.625 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(CO)(CO)CC2)c1 ZINC000877798150 682741176 /nfs/dbraw/zinc/74/11/76/682741176.db2.gz ZEDDHQIAQLNZQE-UHFFFAOYSA-N 1 0 280.324 1.162 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1COC[C@@H]1C ZINC000932495335 682807484 /nfs/dbraw/zinc/80/74/84/682807484.db2.gz ZYSDBMISLURYAS-GXFFZTMASA-N 1 0 293.323 1.466 20 5 CDBDRO Cc1ccc(NC[C@H](O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000717388784 682839090 /nfs/dbraw/zinc/83/90/90/682839090.db2.gz XVBCOXLPEWJHCN-JTQLQIEISA-N 1 0 253.302 1.238 20 5 CDBDRO CN(CCc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883432546 682847111 /nfs/dbraw/zinc/84/71/11/682847111.db2.gz UNUYRPUUPBUKDT-STQMWFEESA-N 1 0 281.331 1.769 20 5 CDBDRO C[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000923288399 682867728 /nfs/dbraw/zinc/86/77/28/682867728.db2.gz JJBURGXHGIMWRR-UGFHNGPFSA-N 1 0 293.367 1.687 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819058575 683082975 /nfs/dbraw/zinc/08/29/75/683082975.db2.gz MTXNFAJGNLIGFY-DOMZBBRYSA-N 1 0 295.383 1.948 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[NH3+])c1C ZINC000884342074 683115411 /nfs/dbraw/zinc/11/54/11/683115411.db2.gz PARQEFISWBGSBG-UHFFFAOYSA-N 1 0 251.286 1.242 20 5 CDBDRO CCCn1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])nn1 ZINC000865476771 683130519 /nfs/dbraw/zinc/13/05/19/683130519.db2.gz JEAPCKBGBPDCGZ-UHFFFAOYSA-N 1 0 289.339 1.929 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCO[C@@H]1CCOC1 ZINC000927082971 683160923 /nfs/dbraw/zinc/16/09/23/683160923.db2.gz ISLIWMYJRGSEOD-BXUZGUMPSA-N 1 0 292.335 1.977 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000923381979 683350870 /nfs/dbraw/zinc/35/08/70/683350870.db2.gz WQDXNWRXOOONGE-HUUCEWRRSA-N 1 0 291.351 1.456 20 5 CDBDRO C[C@H]([NH3+])CN(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000311116159 683370495 /nfs/dbraw/zinc/37/04/95/683370495.db2.gz GFQZWODZEALAFM-ZETCQYMHSA-N 1 0 255.249 1.153 20 5 CDBDRO C[C@@H](O)CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000227710843 683397990 /nfs/dbraw/zinc/39/79/90/683397990.db2.gz KLYRQNLSYSFKDC-MFKMUULPSA-N 1 0 268.313 1.379 20 5 CDBDRO CSCCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819086578 683449601 /nfs/dbraw/zinc/44/96/01/683449601.db2.gz OUZJUHCKEANYAF-LBPRGKRZSA-N 1 0 270.354 1.971 20 5 CDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NCC1C[NH2+]C1 ZINC000841857407 683462520 /nfs/dbraw/zinc/46/25/20/683462520.db2.gz YASROYQKLRVAED-UHFFFAOYSA-N 1 0 298.730 1.267 20 5 CDBDRO C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000923287213 683540950 /nfs/dbraw/zinc/54/09/50/683540950.db2.gz SUYBABNKQFEKPH-GYSYKLTISA-N 1 0 279.340 1.310 20 5 CDBDRO C[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000886841323 683544985 /nfs/dbraw/zinc/54/49/85/683544985.db2.gz IDKFYLJAJHCQOC-PWSUYJOCSA-N 1 0 264.329 1.549 20 5 CDBDRO CN(CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000818974821 683566943 /nfs/dbraw/zinc/56/69/43/683566943.db2.gz FVSIPZAGMGOPBO-CQSZACIVSA-N 1 0 279.340 1.312 20 5 CDBDRO CO[C@@H](C)[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819324068 683713559 /nfs/dbraw/zinc/71/35/59/683713559.db2.gz SVECBMPDSBAEIW-GBIKHYSHSA-N 1 0 268.313 1.641 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](O)C2CCC2)c1 ZINC000843118519 683779623 /nfs/dbraw/zinc/77/96/23/683779623.db2.gz KAWCRFMQCUSBTM-UONOGXRCSA-N 1 0 280.324 1.379 20 5 CDBDRO Cc1cc(F)cc(C(=O)NCC2([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000841454583 683785954 /nfs/dbraw/zinc/78/59/54/683785954.db2.gz DOIBIYJWVWWVPH-UHFFFAOYSA-N 1 0 295.314 1.866 20 5 CDBDRO [NH3+]C[C@@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000050248238 683826313 /nfs/dbraw/zinc/82/63/13/683826313.db2.gz HGONAFKPSRVRDK-VIFPVBQESA-N 1 0 253.277 1.515 20 5 CDBDRO O=[N+]([O-])CCN1CCc2c(ncn2-c2ccccc2)C1 ZINC000930245267 683836735 /nfs/dbraw/zinc/83/67/35/683836735.db2.gz RFTBTSKLEXYMCU-UHFFFAOYSA-N 1 0 272.308 1.507 20 5 CDBDRO CSC[C@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932177380 683890077 /nfs/dbraw/zinc/89/00/77/683890077.db2.gz ONAYOAIVWKPXQL-BXKDBHETSA-N 1 0 270.354 1.969 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)c1cc(F)c([N+](=O)[O-])cc1CO ZINC000865682875 683892489 /nfs/dbraw/zinc/89/24/89/683892489.db2.gz RPFJLEFNQYEKFJ-UHFFFAOYSA-N 1 0 297.330 1.757 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CCn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829842495 683901781 /nfs/dbraw/zinc/90/17/81/683901781.db2.gz MZNMVKKUNXVNKM-SECBINFHSA-N 1 0 283.288 1.574 20 5 CDBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000792875042 683915710 /nfs/dbraw/zinc/91/57/10/683915710.db2.gz XKEDDJBFLNPLKA-JTQLQIEISA-N 1 0 294.311 1.639 20 5 CDBDRO COCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866214897 683919102 /nfs/dbraw/zinc/91/91/02/683919102.db2.gz SMSIXBCHXWAFNQ-VIFPVBQESA-N 1 0 256.277 1.901 20 5 CDBDRO O=[N+]([O-])c1ccc(CNC[C@H]2C[NH2+]CCCO2)cc1Cl ZINC000841087228 683954814 /nfs/dbraw/zinc/95/48/14/683954814.db2.gz RWCCPWPXKTVWGE-LLVKDONJSA-N 1 0 299.758 1.716 20 5 CDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000843454469 683994693 /nfs/dbraw/zinc/99/46/93/683994693.db2.gz BLGROCQBOHZXRY-ZETCQYMHSA-N 1 0 296.283 1.279 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1C ZINC000884254180 684011999 /nfs/dbraw/zinc/01/19/99/684011999.db2.gz GLQICHMOXXMVOR-PWSUYJOCSA-N 1 0 291.351 1.939 20 5 CDBDRO CC(C)(O)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000879962383 684113575 /nfs/dbraw/zinc/11/35/75/684113575.db2.gz QMLLOJAFBVITRE-NSHDSACASA-N 1 0 282.344 1.274 20 5 CDBDRO CCc1nn(C)c(N2CCC[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000807950234 684125386 /nfs/dbraw/zinc/12/53/86/684125386.db2.gz RPMRPTDDHLIEOK-NSHDSACASA-N 1 0 295.387 1.669 20 5 CDBDRO CCN(CC)C[C@@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158637627 684280466 /nfs/dbraw/zinc/28/04/66/684280466.db2.gz FBDQIUUTUGPCBF-DOMZBBRYSA-N 1 0 295.383 1.948 20 5 CDBDRO O=[N+]([O-])c1ccc(Cc2noc([C@@]3(F)CC[NH2+]C3)n2)nc1 ZINC000843191964 684302113 /nfs/dbraw/zinc/30/21/13/684302113.db2.gz PNQDYMQDXMGBRZ-GFCCVEGCSA-N 1 0 293.258 1.122 20 5 CDBDRO CN1CCc2c(NCC3C[NH+](C)C3)ccc([N+](=O)[O-])c2C1 ZINC001170257950 1162320333 /nfs/dbraw/zinc/32/03/33/1162320333.db2.gz DJKYISSSQQSQAS-UHFFFAOYSA-N 1 0 290.367 1.556 20 5 CDBDRO CNC(=O)CC[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170305508 1162329828 /nfs/dbraw/zinc/32/98/28/1162329828.db2.gz MBGINGGIYBCCTH-SNVBAGLBSA-N 1 0 295.339 1.260 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC001170318292 1162336411 /nfs/dbraw/zinc/33/64/11/1162336411.db2.gz OFEGZXJDHMPDKK-BMIGLBTASA-N 1 0 294.351 1.895 20 5 CDBDRO COC(=O)c1ccnc(N2CCC[C@@H]([NH3+])[C@H]2C)c1[N+](=O)[O-] ZINC001157741355 1162371334 /nfs/dbraw/zinc/37/13/34/1162371334.db2.gz KKJXUEHNJOJJJJ-PSASIEDQSA-N 1 0 294.311 1.092 20 5 CDBDRO COc1cc(N2C[C@@H](C)[NH2+][C@H](C)C2)ncc1[N+](=O)[O-] ZINC001158176172 1162756774 /nfs/dbraw/zinc/75/67/74/1162756774.db2.gz KBRZFZDOSPBWMO-RKDXNWHRSA-N 1 0 266.301 1.185 20 5 CDBDRO [NH3+]Cc1cnc2c(ccn2-c2nccnc2[N+](=O)[O-])c1 ZINC001167305209 1158576953 /nfs/dbraw/zinc/57/69/53/1158576953.db2.gz SOVUJFZKMZLISK-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO [NH3+]CCCCCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000698112614 1160926333 /nfs/dbraw/zinc/92/63/33/1160926333.db2.gz RBORNSNGQHKRPE-UHFFFAOYSA-N 1 0 279.340 1.773 20 5 CDBDRO COC(=O)CC1CC(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169000719 1161997139 /nfs/dbraw/zinc/99/71/39/1161997139.db2.gz AKRRGPPIOGLOLT-YWPUVAFDSA-N 1 0 284.356 1.611 20 5 CDBDRO CCC1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001169000832 1161997747 /nfs/dbraw/zinc/99/77/47/1161997747.db2.gz YUJIARCETYFTAJ-NEPJUHHUSA-N 1 0 256.346 1.981 20 5 CDBDRO COc1cccc(-n2nnc3ccc(C[NH3+])cc32)c1[N+](=O)[O-] ZINC001170023366 1162038857 /nfs/dbraw/zinc/03/88/57/1162038857.db2.gz GFDCUWVABPTFHN-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO COc1cnc(NCC23CC[NH+](CC2)CC3)c([N+](=O)[O-])c1 ZINC001158827339 1163620980 /nfs/dbraw/zinc/62/09/80/1163620980.db2.gz PZWZZRGENPOJCE-UHFFFAOYSA-N 1 0 292.339 1.896 20 5 CDBDRO C[N@@H+]1CC[C@H](Nc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC000042549992 1166073397 /nfs/dbraw/zinc/07/33/97/1166073397.db2.gz SKRHDTDEZQBVHT-ZETCQYMHSA-N 1 0 256.693 1.759 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)n1 ZINC001155502548 1167201062 /nfs/dbraw/zinc/20/10/62/1167201062.db2.gz GCFOIAQYPCRFPE-SZEHBUNVSA-N 1 0 298.730 1.350 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@@H]1NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC001578240456 1171847233 /nfs/dbraw/zinc/84/72/33/1171847233.db2.gz YLSSDEPLQKRMGZ-NEPJUHHUSA-N 1 0 295.314 1.913 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC001578361259 1171885455 /nfs/dbraw/zinc/88/54/55/1171885455.db2.gz HKBLMZIDLINFBC-VHSXEESVSA-N 1 0 297.359 1.645 20 5 CDBDRO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C[NH3+] ZINC001579441568 1172180837 /nfs/dbraw/zinc/18/08/37/1172180837.db2.gz DRTJOZOGWAFYDB-NXEZZACHSA-N 1 0 289.339 1.498 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CC[NH2+]1 ZINC001579642755 1172233114 /nfs/dbraw/zinc/23/31/14/1172233114.db2.gz UKNCOAVLJIPGFJ-SECBINFHSA-N 1 0 264.285 1.387 20 5 CDBDRO Cc1ccc(CNC(=O)[C@@H](F)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC001579691873 1172242477 /nfs/dbraw/zinc/24/24/77/1172242477.db2.gz LPOWLCNFIBIZPZ-LBPRGKRZSA-N 1 0 281.287 1.077 20 5 CDBDRO O=C(Oc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC001580804483 1172545667 /nfs/dbraw/zinc/54/56/67/1172545667.db2.gz SGWUTCZDXZNVLM-GXTWGEPZSA-N 1 0 276.292 1.890 20 5 CDBDRO C[NH+](C)CCCNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001591016469 1173562453 /nfs/dbraw/zinc/56/24/53/1173562453.db2.gz YISPQWCGVKWTNR-UHFFFAOYSA-N 1 0 291.315 1.139 20 5 CDBDRO C[N@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1CCC1 ZINC001591125681 1173575100 /nfs/dbraw/zinc/57/51/00/1173575100.db2.gz JVVYLKHOAWYXHG-UHFFFAOYSA-N 1 0 288.311 1.759 20 5 CDBDRO O=[N+]([O-])c1cccc(-c2ncn(C[C@@H]3CCC[NH2+]C3)n2)c1 ZINC000122457561 1175240482 /nfs/dbraw/zinc/24/04/82/1175240482.db2.gz KHISDQYVFSYCLU-LLVKDONJSA-N 1 0 287.323 1.853 20 5 CDBDRO [NH3+]CCc1nccn1-c1cc(F)cc(F)c1[N+](=O)[O-] ZINC000133168744 1175802094 /nfs/dbraw/zinc/80/20/94/1175802094.db2.gz ZKQPINSHHSEZMO-UHFFFAOYSA-N 1 0 268.223 1.560 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000158501722 1178224000 /nfs/dbraw/zinc/22/40/00/1178224000.db2.gz VXOROFZRZFGECT-JTQLQIEISA-N 1 0 281.287 1.606 20 5 CDBDRO O=C(NC/C=C\C[NH2+]Cc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001754120487 1185473753 /nfs/dbraw/zinc/47/37/53/1185473753.db2.gz XWHBZLCSWRCXTJ-UUSXEQNQSA-N 1 0 289.335 1.114 20 5 CDBDRO [NH3+][C@@H]1C[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000404468624 1186519378 /nfs/dbraw/zinc/51/93/78/1186519378.db2.gz CHTIZUKGJHJFBP-VXGBXAGGSA-N 1 0 275.308 1.595 20 5 CDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cc(N)c([N+](=O)[O-])cn1 ZINC001164636401 719211446 /nfs/dbraw/zinc/21/14/46/719211446.db2.gz KBWPSNJQIVFTTR-IUCAKERBSA-N 1 0 265.317 1.101 20 5 CDBDRO C[NH+](C)CC1CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001165042573 721946243 /nfs/dbraw/zinc/94/62/43/721946243.db2.gz UQKZYICPGCDKNB-UHFFFAOYSA-N 1 0 279.344 1.350 20 5 CDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCCC[C@H]3O)C2)c1 ZINC000877421954 1166034099 /nfs/dbraw/zinc/03/40/99/1166034099.db2.gz ILPRKEBMBPJPFN-IOCWDNCASA-N 1 0 280.328 1.388 20 5 CDBDRO Cc1cc(Cl)nc(N[C@@H]2COC[C@@H]2[NH3+])c1[N+](=O)[O-] ZINC001155345469 1167136441 /nfs/dbraw/zinc/13/64/41/1167136441.db2.gz DMUAMAXDPXCRMA-NKWVEPMBSA-N 1 0 272.692 1.090 20 5 CDBDRO [NH3+]C/C=C\CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001580278259 1167715757 /nfs/dbraw/zinc/71/57/57/1167715757.db2.gz HZNJGBGXMYFFNZ-UPHRSURJSA-N 1 0 297.742 1.812 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H](C)O)c1F ZINC001173175575 912280966 /nfs/dbraw/zinc/28/09/66/912280966.db2.gz PMKDLGNSBFQPSE-IUCAKERBSA-N 1 0 286.303 1.644 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(O[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218178119 898457994 /nfs/dbraw/zinc/45/79/94/898457994.db2.gz VYELJAPUBAIGNX-QMMMGPOBSA-N 1 0 267.241 1.552 20 5 CDBDRO [NH3+]Cc1nn(-c2cnc([N+](=O)[O-])cn2)c2ccccc12 ZINC001167697728 898578653 /nfs/dbraw/zinc/57/86/53/898578653.db2.gz CXXMWPLPURIFSV-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO Cc1c(F)cnc(-n2ccc(CC[NH3+])n2)c1[N+](=O)[O-] ZINC001167728716 899468219 /nfs/dbraw/zinc/46/82/19/899468219.db2.gz ZVDMESBQXFLEFT-UHFFFAOYSA-N 1 0 265.248 1.124 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(Cl)c(F)c1 ZINC001225781367 904211342 /nfs/dbraw/zinc/21/13/42/904211342.db2.gz CELVCGKUMCSTPY-SECBINFHSA-N 1 0 290.742 1.842 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[NH2+]CC[C@H]2F)n1 ZINC001168226995 907943837 /nfs/dbraw/zinc/94/38/37/907943837.db2.gz SDETXQFCKZTDJD-BDAKNGLRSA-N 1 0 254.265 1.410 20 5 CDBDRO [NH3+]Cc1cnn(-c2ccc3c([N+](=O)[O-])c[nH]c3n2)c1 ZINC001168253832 907996568 /nfs/dbraw/zinc/99/65/68/907996568.db2.gz BETDAMSSVHWTHY-UHFFFAOYSA-N 1 0 258.241 1.116 20 5 CDBDRO CO[C@@]1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000160346064 909949850 /nfs/dbraw/zinc/94/98/50/909949850.db2.gz JIWLMODZJWBWGC-UONOGXRCSA-N 1 0 296.323 1.023 20 5 CDBDRO CN(C)C(=O)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897010 912035387 /nfs/dbraw/zinc/03/53/87/912035387.db2.gz WDYVOQCJEFHJGO-ZDUSSCGKSA-N 1 0 291.351 1.520 20 5 CDBDRO O=C1C[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CN1 ZINC001172908835 912037340 /nfs/dbraw/zinc/03/73/40/912037340.db2.gz ZSZFLUHXMRULER-OLZOCXBDSA-N 1 0 289.335 1.320 20 5 CDBDRO [NH3+]Cc1cnnn1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904747 912038110 /nfs/dbraw/zinc/03/81/10/912038110.db2.gz AFVUVOOUOHSAIH-LBPRGKRZSA-N 1 0 287.323 1.765 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCO)CC2 ZINC001172899295 912038621 /nfs/dbraw/zinc/03/86/21/912038621.db2.gz WBXMGLNJRDYREH-LBPRGKRZSA-N 1 0 250.298 1.424 20 5 CDBDRO CC(C)([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(N)=O ZINC001172901567 912039071 /nfs/dbraw/zinc/03/90/71/912039071.db2.gz NSRVTJXGWUVNPM-LBPRGKRZSA-N 1 0 291.351 1.696 20 5 CDBDRO CCC1(Nc2cc([N+](=O)[O-])ccc2C(=O)OC)C[NH2+]C1 ZINC001168583554 919294706 /nfs/dbraw/zinc/29/47/06/919294706.db2.gz NKRZCGIQPHLVEM-UHFFFAOYSA-N 1 0 279.296 1.545 20 5 CDBDRO [NH3+]Cc1ccnn1-c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001162590894 922785999 /nfs/dbraw/zinc/78/59/99/922785999.db2.gz HYCPMBAAZWSQDO-UHFFFAOYSA-N 1 0 273.296 1.513 20 5 CDBDRO [NH3+][C@]12C[C@H]1CN(c1ncnc3ccc([N+](=O)[O-])cc31)C2 ZINC001165314071 925016042 /nfs/dbraw/zinc/01/60/42/925016042.db2.gz MROCSSIHPRIDHU-SDBXPKJASA-N 1 0 271.280 1.075 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC001119234438 925029538 /nfs/dbraw/zinc/02/95/38/925029538.db2.gz BTQXYVUBJRGEHP-SECBINFHSA-N 1 0 279.340 1.797 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[N@H+](C)C1 ZINC000824615102 925830627 /nfs/dbraw/zinc/83/06/27/925830627.db2.gz WIEIAACFDIHFRY-JTQLQIEISA-N 1 0 280.328 1.752 20 5 CDBDRO COc1nc(N[C@@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001154979254 926275281 /nfs/dbraw/zinc/27/52/81/926275281.db2.gz XRROBDWYEYKFFO-DTWKUNHWSA-N 1 0 266.301 1.680 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001155915194 927195253 /nfs/dbraw/zinc/19/52/53/927195253.db2.gz DTMJNDGSBOOXPS-QMMMGPOBSA-N 1 0 263.301 1.833 20 5 CDBDRO CCOC(=O)C1(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1 ZINC001168976730 927562789 /nfs/dbraw/zinc/56/27/89/927562789.db2.gz FWUFTOWBRAUFDO-NEPJUHHUSA-N 1 0 284.356 1.755 20 5 CDBDRO CC(C)N1C[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1=O ZINC001168978329 927565176 /nfs/dbraw/zinc/56/51/76/927565176.db2.gz RFFFEHZFRCNVQH-GRYCIOLGSA-N 1 0 269.345 1.031 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2cnccn2)C1 ZINC001168978568 927565434 /nfs/dbraw/zinc/56/54/34/927565434.db2.gz SOACVDFCBNBDSR-WDEREUQCSA-N 1 0 250.302 1.054 20 5 CDBDRO CC(C)N1C[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1=O ZINC001168978332 927565796 /nfs/dbraw/zinc/56/57/96/927565796.db2.gz RFFFEHZFRCNVQH-SDDRHHMPSA-N 1 0 269.345 1.031 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)nc1 ZINC001168981143 927569261 /nfs/dbraw/zinc/56/92/61/927569261.db2.gz GCPOVSKLEZRAAZ-WDEREUQCSA-N 1 0 265.313 1.625 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC001168984326 927572654 /nfs/dbraw/zinc/57/26/54/927572654.db2.gz LYZFOWHKFDJOKU-MWLCHTKSSA-N 1 0 253.277 1.756 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCCn2ccnc2)C1 ZINC001168958829 927579680 /nfs/dbraw/zinc/57/96/80/927579680.db2.gz QDMNLWLKBBVJBC-VXGBXAGGSA-N 1 0 252.318 1.308 20 5 CDBDRO Cc1cnc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001168958862 927580056 /nfs/dbraw/zinc/58/00/56/927580056.db2.gz QMZFPLQGGDITKT-GHMZBOCLSA-N 1 0 250.302 1.320 20 5 CDBDRO COC(=O)C1(N[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1 ZINC001168961233 927582424 /nfs/dbraw/zinc/58/24/24/927582424.db2.gz IGTFWLBANBRXLU-VHSXEESVSA-N 1 0 256.302 1.117 20 5 CDBDRO Cc1ccn2c(c1)nnc2C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168965300 927589281 /nfs/dbraw/zinc/58/92/81/927589281.db2.gz ZEUZDNWWYREJLW-VXGBXAGGSA-N 1 0 289.339 1.573 20 5 CDBDRO O=c1cc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc[nH]1 ZINC001168970388 927593938 /nfs/dbraw/zinc/59/39/38/927593938.db2.gz HABCMHVLHZXJQD-GHMZBOCLSA-N 1 0 251.286 1.322 20 5 CDBDRO COC(=O)c1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001169001250 927606006 /nfs/dbraw/zinc/60/60/06/927606006.db2.gz DYRXAXJGJCMTBW-PWSUYJOCSA-N 1 0 293.323 1.403 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCc3cnccc3C2)C1 ZINC001169008685 927614457 /nfs/dbraw/zinc/61/44/57/927614457.db2.gz TVYNVJXTWSAHLL-SMDDNHRTSA-N 1 0 261.325 1.885 20 5 CDBDRO C[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169011438 927616275 /nfs/dbraw/zinc/61/62/75/927616275.db2.gz KIFKDNOFAONIQB-WOPDTQHZSA-N 1 0 254.330 1.733 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H](n2cnc3c2C[NH2+]CC3)C1 ZINC001169010702 927617319 /nfs/dbraw/zinc/61/73/19/927617319.db2.gz FQPZSCQAXWEXBE-VHSXEESVSA-N 1 0 250.302 1.147 20 5 CDBDRO Cc1nc(CC[N@@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)no1 ZINC001169011260 927617513 /nfs/dbraw/zinc/61/75/13/927617513.db2.gz IZNGPZCDIKYGJJ-MNOVXSKESA-N 1 0 268.317 1.298 20 5 CDBDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC[C@@H]1O ZINC001169010579 927618261 /nfs/dbraw/zinc/61/82/61/927618261.db2.gz DUTALOKRFXLJOE-LPWJVIDDSA-N 1 0 256.346 1.525 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](O)[C@@H](F)CC2)C1 ZINC001169013002 927620464 /nfs/dbraw/zinc/62/04/64/927620464.db2.gz SWKWTBGUVXHPFX-NOOOWODRSA-N 1 0 260.309 1.227 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2c3ccccc3C[C@@H]2O)C1 ZINC001168987228 927622016 /nfs/dbraw/zinc/62/20/16/927622016.db2.gz HRFNPOHSVAOBQO-FDEJFUCISA-N 1 0 276.336 1.680 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCN2CCCC(F)(F)C2)C1 ZINC001168986942 927622712 /nfs/dbraw/zinc/62/27/12/927622712.db2.gz GKSBLWMYTXKUAL-RYUDHWBXSA-N 1 0 291.342 1.753 20 5 CDBDRO CCCCC[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)NC ZINC001168988176 927624406 /nfs/dbraw/zinc/62/44/06/927624406.db2.gz OSLYAHZQGSSKTG-UPJWGTAASA-N 1 0 285.388 1.716 20 5 CDBDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987532 927625345 /nfs/dbraw/zinc/62/53/45/927625345.db2.gz JLQZARRPDBKQAU-KBMXLJTQSA-N 1 0 292.379 1.933 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[NH+](C3CCCC3)CC2)C1 ZINC001169028374 927635702 /nfs/dbraw/zinc/63/57/02/927635702.db2.gz RWDAKZXGZCZNDM-UKRRQHHQSA-N 1 0 281.400 1.992 20 5 CDBDRO COC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H]1C ZINC001169034551 927641031 /nfs/dbraw/zinc/64/10/31/927641031.db2.gz HRWAIPKSSFNWCW-WUHRBBMRSA-N 1 0 284.356 1.705 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CC3(C2)C[C@H](F)CS3)C1 ZINC001169038856 927649994 /nfs/dbraw/zinc/64/99/94/927649994.db2.gz LAJQNONPDSRIGO-OUAUKWLOSA-N 1 0 274.361 1.961 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](Oc3cccnc3)C2)C1 ZINC001169025952 927666430 /nfs/dbraw/zinc/66/64/30/927666430.db2.gz KFKKIJZEFJABLK-VNHYZAJKSA-N 1 0 291.351 1.980 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H](N2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C1 ZINC001169057498 927674499 /nfs/dbraw/zinc/67/44/99/927674499.db2.gz WATRSLXHYZEEAL-XGUBFFRZSA-N 1 0 299.390 1.940 20 5 CDBDRO CNC(=O)CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783601464 937275814 /nfs/dbraw/zinc/27/58/14/937275814.db2.gz NNSRWMJMDFXDPU-UHFFFAOYSA-N 1 0 285.731 1.864 20 5 CDBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000217788367 930154309 /nfs/dbraw/zinc/15/43/09/930154309.db2.gz OZPVJHSIHWFEAW-UHFFFAOYSA-N 1 0 295.314 1.948 20 5 CDBDRO C[C@@H](Nc1cc([N+](=O)[O-])cc(Cl)n1)[C@H]1C[NH2+]CCO1 ZINC001159488188 930258414 /nfs/dbraw/zinc/25/84/14/930258414.db2.gz AOVZQPHMWZLEGI-VXNVDRBHSA-N 1 0 286.719 1.432 20 5 CDBDRO [NH3+]CC1(c2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000139013557 930965563 /nfs/dbraw/zinc/96/55/63/930965563.db2.gz VFDIYRZXLFSFFR-UHFFFAOYSA-N 1 0 260.253 1.635 20 5 CDBDRO O=[N+]([O-])c1cn(C[C@@H]2CCC[NH2+]C2)nc1C1CC1 ZINC001118199781 937602373 /nfs/dbraw/zinc/60/23/73/937602373.db2.gz SQGMQNHWKPENAG-SECBINFHSA-N 1 0 250.302 1.668 20 5 CDBDRO [NH3+]Cc1cn(-c2cc([N+](=O)[O-])cc(Cl)n2)cn1 ZINC001154906199 937602441 /nfs/dbraw/zinc/60/24/41/937602441.db2.gz YASBAHOZIAASMJ-UHFFFAOYSA-N 1 0 253.649 1.288 20 5 CDBDRO O=C(NCC1C[NH2+]C1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001122010795 937898633 /nfs/dbraw/zinc/89/86/33/937898633.db2.gz ZKJJTTITOYRHOX-CHWSQXEVSA-N 1 0 275.308 1.034 20 5 CDBDRO [NH3+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001122575907 937943198 /nfs/dbraw/zinc/94/31/98/937943198.db2.gz PGUUVDUMKZMALC-FPQZTECRSA-N 1 0 275.308 1.304 20 5 CDBDRO CC(C)N(CCC[NH3+])c1cc(N)c([N+](=O)[O-])cn1 ZINC001156117823 938321607 /nfs/dbraw/zinc/32/16/07/938321607.db2.gz CNRSDRXJMQGMED-UHFFFAOYSA-N 1 0 253.306 1.136 20 5 CDBDRO Cc1nc(N2C[C@H]3[C@H](C2)CCC[N@H+]3C)ncc1[N+](=O)[O-] ZINC001157283241 938475127 /nfs/dbraw/zinc/47/51/27/938475127.db2.gz TVSDMFGHMOOIET-JQWIXIFHSA-N 1 0 277.328 1.224 20 5 CDBDRO O=[N+]([O-])c1ccc2ncc(N[C@H]3C[NH2+]CC[C@H]3F)nc2c1 ZINC001157446199 938492995 /nfs/dbraw/zinc/49/29/95/938492995.db2.gz YGPLWBKZSMHIMN-SKDRFNHKSA-N 1 0 291.286 1.650 20 5 CDBDRO C[C@H]1[C@H]([NH3+])CCCN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC001157747748 938539915 /nfs/dbraw/zinc/53/99/15/938539915.db2.gz RHHFSYPDADEVHR-VHSXEESVSA-N 1 0 287.323 1.854 20 5 CDBDRO CCC1(Nc2cc(OC)c([N+](=O)[O-])cn2)C[NH2+]C1 ZINC001157779491 938544482 /nfs/dbraw/zinc/54/44/82/938544482.db2.gz YXWDUQUCEJUUJS-UHFFFAOYSA-N 1 0 252.274 1.162 20 5 CDBDRO [NH3+]C[C@@]1(F)CCN(c2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001157812539 938549921 /nfs/dbraw/zinc/54/99/21/938549921.db2.gz CGFCDYDIQFZRDY-ZDUSSCGKSA-N 1 0 291.286 1.415 20 5 CDBDRO Cc1cnc(C[NH3+])n1-c1ncc([N+](=O)[O-])cc1F ZINC001158165299 938589480 /nfs/dbraw/zinc/58/94/80/938589480.db2.gz YQJCEWBVSOEFOO-UHFFFAOYSA-N 1 0 251.221 1.082 20 5 CDBDRO C[C@@H]1CN(c2nccc(Cl)c2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC001158173760 938590359 /nfs/dbraw/zinc/59/03/59/938590359.db2.gz VPOIDGHNUKHWTQ-HTQZYQBOSA-N 1 0 270.720 1.830 20 5 CDBDRO C[C@H]1CN(c2nc(Cl)ncc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001158174015 938590578 /nfs/dbraw/zinc/59/05/78/938590578.db2.gz XYJRPBYLZRTORR-BQBZGAKWSA-N 1 0 271.708 1.225 20 5 CDBDRO CCOc1nc(-n2ccc([C@H](C)[NH3+])n2)ccc1[N+](=O)[O-] ZINC001158350566 938613260 /nfs/dbraw/zinc/61/32/60/938613260.db2.gz MDEYQKBQBIFWER-QMMMGPOBSA-N 1 0 277.284 1.594 20 5 CDBDRO COc1cnc(NCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001158627426 938643471 /nfs/dbraw/zinc/64/34/71/938643471.db2.gz JFNFQHRRMFPYKG-SECBINFHSA-N 1 0 266.301 1.552 20 5 CDBDRO CCOc1nc(NCC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC001158626892 938643614 /nfs/dbraw/zinc/64/36/14/938643614.db2.gz HZVJVSQQAOWTRU-SNVBAGLBSA-N 1 0 280.328 1.943 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cc(N2CC3(C2)CCC[NH2+]C3)n1 ZINC001159019643 938691235 /nfs/dbraw/zinc/69/12/35/938691235.db2.gz LTUGGOWYFPGLOV-UHFFFAOYSA-N 1 0 282.731 1.833 20 5 CDBDRO CCOc1nc(N[C@H](C)[C@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC001159498234 938734089 /nfs/dbraw/zinc/73/40/89/938734089.db2.gz KXRFHRCPPYDSHA-MWLCHTKSSA-N 1 0 296.327 1.177 20 5 CDBDRO Cc1ccnc(NC[C@H]2C[NH2+]CC(C)(C)O2)c1[N+](=O)[O-] ZINC001161954310 938948068 /nfs/dbraw/zinc/94/80/68/938948068.db2.gz RPHQONNAPCZCKX-SNVBAGLBSA-N 1 0 280.328 1.477 20 5 CDBDRO C[C@@]1([NH3+])C[C@H](Nc2cnc3cc([N+](=O)[O-])ccc3n2)C1 ZINC001162324589 939023817 /nfs/dbraw/zinc/02/38/17/939023817.db2.gz AGRZIKHUHGYJMM-KTLJEJPDSA-N 1 0 273.296 1.830 20 5 CDBDRO COc1cc(-n2nccc2C[NH3+])cc([N+](=O)[O-])c1C ZINC001162598140 939099583 /nfs/dbraw/zinc/09/95/83/939099583.db2.gz PRFGMUGUDVDVLW-UHFFFAOYSA-N 1 0 262.269 1.556 20 5 CDBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1nccc(N)c1[N+](=O)[O-] ZINC001162763137 939135448 /nfs/dbraw/zinc/13/54/48/939135448.db2.gz NHDTXMDZVCLUOK-MRVPVSSYSA-N 1 0 298.306 1.931 20 5 CDBDRO Cc1c(C)c([N+](=O)[O-])cnc1N[C@@H]1C=C[C@@H]2C[NH2+]C[C@@H]12 ZINC001162792160 939141327 /nfs/dbraw/zinc/14/13/27/939141327.db2.gz FRQFLCBFQYPWHG-IJLUTSLNSA-N 1 0 274.324 1.793 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1N[C@@H]1C=C[C@@H]2C[NH2+]C[C@@H]12 ZINC001162795339 939143108 /nfs/dbraw/zinc/14/31/08/939143108.db2.gz VCMUOVBSIJNDFI-SZEHBUNVSA-N 1 0 264.260 1.315 20 5 CDBDRO CCOc1cc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)ccc1[N+](=O)[O-] ZINC001163147542 939213288 /nfs/dbraw/zinc/21/32/88/939213288.db2.gz ZNCJJGWPTWBVOC-IJLUTSLNSA-N 1 0 293.323 1.392 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)n1 ZINC001163322431 939246710 /nfs/dbraw/zinc/24/67/10/939246710.db2.gz ICXRCKYBRFOHCE-BXUZGUMPSA-N 1 0 292.339 1.621 20 5 CDBDRO CN(CCC[NH+](C)C)c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001163595121 939291110 /nfs/dbraw/zinc/29/11/10/939291110.db2.gz CUVKZZCKCGIEPV-UHFFFAOYSA-N 1 0 289.339 1.926 20 5 CDBDRO C[NH+](C)C1CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)C1 ZINC001163940055 939358331 /nfs/dbraw/zinc/35/83/31/939358331.db2.gz ALVQWPXHHPZQPA-UHFFFAOYSA-N 1 0 261.285 1.221 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@H](C)CC[C@H]1C[NH3+] ZINC001164061807 939402359 /nfs/dbraw/zinc/40/23/59/939402359.db2.gz HMAHMLCDGZGRNS-KOLCDFICSA-N 1 0 264.329 1.862 20 5 CDBDRO Cc1c(N2CC[C@@H]([NH3+])C2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001164281494 939445712 /nfs/dbraw/zinc/44/57/12/939445712.db2.gz FFYXAMCJMXYKIM-MRVPVSSYSA-N 1 0 266.257 1.349 20 5 CDBDRO CC(=O)N1CCc2cc(N3CC[C@@H]([NH3+])C3)cc([N+](=O)[O-])c21 ZINC001164286953 939447098 /nfs/dbraw/zinc/44/70/98/939447098.db2.gz ZVWXXEAHVBZDCG-LLVKDONJSA-N 1 0 290.323 1.041 20 5 CDBDRO Cc1nc(-n2cnc3c2C[NH2+]CC3)ccc1[N+](=O)[O-] ZINC001164310385 939451308 /nfs/dbraw/zinc/45/13/08/939451308.db2.gz QCSGWMJQFLCNEJ-UHFFFAOYSA-N 1 0 259.269 1.130 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)C[C@H]2C1 ZINC001165146789 939517950 /nfs/dbraw/zinc/51/79/50/939517950.db2.gz BRLLRYLYEBAKJR-AOOOYVTPSA-N 1 0 287.323 1.469 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)n1 ZINC001165269232 939537554 /nfs/dbraw/zinc/53/75/54/939537554.db2.gz HJWIFMPETPEECO-UWVGGRQHSA-N 1 0 298.730 1.210 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(N3CCC[C@H]4[NH2+]C[C@H]43)c2c1 ZINC001165394348 939558325 /nfs/dbraw/zinc/55/83/25/939558325.db2.gz WXOKLYAJZRLICM-CHWSQXEVSA-N 1 0 285.307 1.479 20 5 CDBDRO Cc1c(C)c(N2CCC[C@@H]3[NH2+]C[C@@H]32)ncc1[N+](=O)[O-] ZINC001165395508 939558601 /nfs/dbraw/zinc/55/86/01/939558601.db2.gz WNFNWRXYMWCUMA-JQWIXIFHSA-N 1 0 262.313 1.547 20 5 CDBDRO COc1c(F)cc(-n2ccnc2CC[NH3+])cc1[N+](=O)[O-] ZINC001166369922 939606412 /nfs/dbraw/zinc/60/64/12/939606412.db2.gz NWPNBQTZQMHMLL-UHFFFAOYSA-N 1 0 280.259 1.429 20 5 CDBDRO CC(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001205230924 939839982 /nfs/dbraw/zinc/83/99/82/939839982.db2.gz YMFUZDXLXZMLEU-ZIAGYGMSSA-N 1 0 297.399 1.526 20 5 CDBDRO COC(=O)[C@H](O[C@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001217823984 941021350 /nfs/dbraw/zinc/02/13/50/941021350.db2.gz IWTUMPMCWIHIAM-JOYOIKCWSA-N 1 0 280.280 1.187 20 5 CDBDRO O=[N+]([O-])c1cnc(O[C@H]2CCC[NH2+]C2)cc1Cl ZINC001218282616 941051201 /nfs/dbraw/zinc/05/12/01/941051201.db2.gz YSKDXZPYXFYUJT-ZETCQYMHSA-N 1 0 257.677 1.774 20 5 CDBDRO Cc1cccc(OCCOC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001224407279 941750755 /nfs/dbraw/zinc/75/07/55/941750755.db2.gz KSZIJTLRHFQUJK-CQSZACIVSA-N 1 0 296.387 1.374 20 5 CDBDRO Cc1c[nH]c2cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c12 ZINC001225389445 941852669 /nfs/dbraw/zinc/85/26/69/941852669.db2.gz GACVSUPEBBCZPH-GFCCVEGCSA-N 1 0 291.371 1.839 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(F)c1Cl ZINC001226829264 942080153 /nfs/dbraw/zinc/08/01/53/942080153.db2.gz JDNJKWKLIKKAEZ-SECBINFHSA-N 1 0 290.742 1.842 20 5 CDBDRO Cc1cc2c(ccnc2OC(=O)C[C@@H](O)C[N+](C)(C)C)o1 ZINC001227090763 942130480 /nfs/dbraw/zinc/13/04/80/942130480.db2.gz KTWZKGSGLGNKEF-LLVKDONJSA-N 1 0 293.343 1.499 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1O[C@@H]1CC[N@H+](C)C1 ZINC001227184632 942146406 /nfs/dbraw/zinc/14/64/06/942146406.db2.gz IJFCROUXEGEXIC-SNVBAGLBSA-N 1 0 252.270 1.686 20 5 CDBDRO CCOC(=O)Cc1ccc(O[C@@H](C)C[N+](C)(C)C)cn1 ZINC001227805135 942229114 /nfs/dbraw/zinc/22/91/14/942229114.db2.gz IDBFBHKCHCLMAH-LBPRGKRZSA-N 1 0 281.376 1.661 20 5 CDBDRO COC(=O)c1cccc(O[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001227894206 942241289 /nfs/dbraw/zinc/24/12/89/942241289.db2.gz LAQSOHIYSDGGNG-VIFPVBQESA-N 1 0 280.280 1.464 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001229484169 942480139 /nfs/dbraw/zinc/48/01/39/942480139.db2.gz HFTNZBXJFZMMJF-SECBINFHSA-N 1 0 263.253 1.819 20 5 CDBDRO CC(=O)OCCc1ccc(O)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001229620372 942501045 /nfs/dbraw/zinc/50/10/45/942501045.db2.gz MJHVZNIWDBRGBW-GFCCVEGCSA-O 1 0 296.387 1.971 20 5 CDBDRO Cc1ncc2c(c1O[C@@H](C)C[N+](C)(C)C)COC2 ZINC001229796612 942532085 /nfs/dbraw/zinc/53/20/85/942532085.db2.gz XKFGZFLATAUNLT-JTQLQIEISA-N 1 0 251.350 1.894 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CO)CC2CC2)c1 ZINC001262566293 946718210 /nfs/dbraw/zinc/71/82/10/946718210.db2.gz MGVMHPCHAVGRIV-GXTWGEPZSA-N 1 0 280.324 1.379 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCNC1=O ZINC001254532269 947508546 /nfs/dbraw/zinc/50/85/46/947508546.db2.gz MMCQEBKRJVVXTI-MWLCHTKSSA-N 1 0 263.297 1.004 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCNC1=O ZINC001254531540 947509259 /nfs/dbraw/zinc/50/92/59/947509259.db2.gz GZPPVGCJCPRHFU-LLVKDONJSA-N 1 0 292.339 1.141 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC(=O)NC1 ZINC001254537910 947516641 /nfs/dbraw/zinc/51/66/41/947516641.db2.gz JPWVBFCXWLNMGQ-RYUDHWBXSA-N 1 0 291.351 1.642 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCO[C@@H](C[NH3+])C1 ZINC001254536900 947516809 /nfs/dbraw/zinc/51/68/09/947516809.db2.gz VFKMKNQPQLXZNK-AAEUAGOBSA-N 1 0 279.340 1.185 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCNC(=O)C1 ZINC001254548863 947522874 /nfs/dbraw/zinc/52/28/74/947522874.db2.gz NCLYSWPFIVEQSB-DGCLKSJQSA-N 1 0 291.351 1.784 20 5 CDBDRO Cn1cnc(CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254566355 947527608 /nfs/dbraw/zinc/52/76/08/947527608.db2.gz JONNIXMVNIOBDO-AWEZNQCLSA-N 1 0 286.335 1.628 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H](CO)c1ccncc1)C2 ZINC001254580567 947537458 /nfs/dbraw/zinc/53/74/58/947537458.db2.gz GNNAVAUMYNWPEM-GOEBONIOSA-N 1 0 299.330 1.780 20 5 CDBDRO CN([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(C)(C)C[NH3+] ZINC001254580014 947537480 /nfs/dbraw/zinc/53/74/80/947537480.db2.gz YRIPSHVKJOOASW-CYBMUJFWSA-N 1 0 263.341 1.731 20 5 CDBDRO COC(=O)[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254593250 947546114 /nfs/dbraw/zinc/54/61/14/947546114.db2.gz KKOZJLYTCZOQRC-RISCZKNCSA-N 1 0 290.319 1.557 20 5 CDBDRO C[C@@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@@H]1O ZINC001254593960 947546458 /nfs/dbraw/zinc/54/64/58/947546458.db2.gz OKACKFJKESWSKR-ONERCXAPSA-N 1 0 276.336 1.765 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CC(C3COC3)C1)C2 ZINC001254599234 947548619 /nfs/dbraw/zinc/54/86/19/947548619.db2.gz MMWWFMUQJISVRQ-HNNXBMFYSA-N 1 0 274.320 1.640 20 5 CDBDRO C[C@]1(CO)CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254599701 947549493 /nfs/dbraw/zinc/54/94/93/947549493.db2.gz PCLKEYCFSJAWHD-CABCVRRESA-N 1 0 276.336 1.766 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC3(CC(O)C3)C1)C2 ZINC001254599681 947551023 /nfs/dbraw/zinc/55/10/23/947551023.db2.gz OLHIMEARSNOBQS-CYBMUJFWSA-N 1 0 274.320 1.519 20 5 CDBDRO C[C@@H]1CC[C@H](CN)[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246568263 948290740 /nfs/dbraw/zinc/29/07/40/948290740.db2.gz MSMKVHCPTGLJOA-FDYHWXHSSA-N 1 0 255.362 1.491 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326134356 954231045 /nfs/dbraw/zinc/23/10/45/954231045.db2.gz WKHCHYFSTAUMCS-ZDUSSCGKSA-N 1 0 292.339 1.603 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1([C@H]2CCCO2)CCC1 ZINC001308160051 956479398 /nfs/dbraw/zinc/47/93/98/956479398.db2.gz IUPKYAGDIPXBBA-GFCCVEGCSA-N 1 0 294.355 1.791 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CCO)COC ZINC001308278689 956505818 /nfs/dbraw/zinc/50/58/18/956505818.db2.gz HKJRVWFWWXCRBH-GFCCVEGCSA-N 1 0 298.339 1.481 20 5 CDBDRO CCCC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001323485304 960762109 /nfs/dbraw/zinc/76/21/09/960762109.db2.gz GUGKQIBFQRUACU-AWEZNQCLSA-N 1 0 296.371 1.664 20 5 CDBDRO C[C@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC001341109348 963278367 /nfs/dbraw/zinc/27/83/67/963278367.db2.gz QELWRVWOYGNLLY-HWNAMQAFSA-N 1 0 275.308 1.237 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]([NH3+])C1CC1 ZINC001341734785 963525641 /nfs/dbraw/zinc/52/56/41/963525641.db2.gz ZFLQTSSFDQPZCR-NSHDSACASA-N 1 0 295.364 1.784 20 5 CDBDRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1[N+](=O)[O-])C2 ZINC001343001073 963882015 /nfs/dbraw/zinc/88/20/15/963882015.db2.gz GUXWHUARYAMWSG-AXFHLTTASA-N 1 0 275.308 1.547 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001346068456 964906264 /nfs/dbraw/zinc/90/62/64/964906264.db2.gz CPADDXASGDEEMH-WDEREUQCSA-N 1 0 264.329 1.615 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NC[C@]1([NH+](C)C)CCSC1 ZINC001346073191 964908349 /nfs/dbraw/zinc/90/83/49/964908349.db2.gz WEJPOMCZYMZGNS-CYBMUJFWSA-N 1 0 296.396 1.569 20 5 CDBDRO Cc1ccc(C(=O)NC2CC3(CC([NH3+])C3)C2)cc1[N+](=O)[O-] ZINC001346162489 964963398 /nfs/dbraw/zinc/96/33/98/964963398.db2.gz AJYSTHWOYJZFSJ-UHFFFAOYSA-N 1 0 289.335 1.903 20 5 CDBDRO Cc1cc(NC(=O)[C@H]2CCCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC001346504751 965146601 /nfs/dbraw/zinc/14/66/01/965146601.db2.gz KVTRRYXQRDTEEY-GFCCVEGCSA-N 1 0 263.297 1.984 20 5 CDBDRO Cc1nc(N[C@@H]2CC[N@@H+](C(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC001350499151 966682708 /nfs/dbraw/zinc/68/27/08/966682708.db2.gz CUNHNWLIZPHBFZ-SNVBAGLBSA-N 1 0 279.344 1.978 20 5 CDBDRO CC(C)OCC[C@H](O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001353241572 967814366 /nfs/dbraw/zinc/81/43/66/967814366.db2.gz SIJSCEVDNQTMPB-ZDUSSCGKSA-N 1 0 282.340 1.860 20 5 CDBDRO [NH3+][C@H]1C[C@H](CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001354523946 968758472 /nfs/dbraw/zinc/75/84/72/968758472.db2.gz RRVRSYSWAJVVPJ-IMJCEVDSSA-N 1 0 289.335 1.552 20 5 CDBDRO C[C@@H]([NH3+])CC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001522744856 970547990 /nfs/dbraw/zinc/54/79/90/970547990.db2.gz QLAQUNIHFGKNCJ-RKDXNWHRSA-N 1 0 251.286 1.509 20 5 CDBDRO CCC1(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001133406979 1163675572 /nfs/dbraw/zinc/67/55/72/1163675572.db2.gz SWPOWBOYQYGHRK-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO CCC1(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001133406629 1163688509 /nfs/dbraw/zinc/68/85/09/1163688509.db2.gz IEBXVZDLMUGBFT-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)CC(C)(C)[NH3+] ZINC001573872821 1170814498 /nfs/dbraw/zinc/81/44/98/1170814498.db2.gz OZZCBMQFVCJJFY-UHFFFAOYSA-N 1 0 279.340 1.723 20 5 CDBDRO CC(C)c1ccc(C[NH+](CCO)CCO)cc1[N+](=O)[O-] ZINC000600178671 341983343 /nfs/dbraw/zinc/98/33/43/341983343.db2.gz AMPPRKVEYCOMDG-UHFFFAOYSA-N 1 0 282.340 1.505 20 5 CDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000590402541 342543849 /nfs/dbraw/zinc/54/38/49/342543849.db2.gz DCXOFGHWZGVFPW-AAEUAGOBSA-N 1 0 291.351 1.688 20 5 CDBDRO Cc1ccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000601327026 342554046 /nfs/dbraw/zinc/55/40/46/342554046.db2.gz KECYUIMWHOHADB-BETUJISGSA-N 1 0 261.325 1.839 20 5 CDBDRO COCCOC[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000234900778 342047639 /nfs/dbraw/zinc/04/76/39/342047639.db2.gz YKKHIZZJTQDWOF-CYBMUJFWSA-N 1 0 298.339 1.017 20 5 CDBDRO COc1ccc(C[N@H+](C)C[C@H]2COCCO2)cc1[N+](=O)[O-] ZINC000590703858 342582472 /nfs/dbraw/zinc/58/24/72/342582472.db2.gz HXIWIZQREIFFRW-LBPRGKRZSA-N 1 0 296.323 1.451 20 5 CDBDRO C[C@@H]1[C@H](C)N(c2ccc([N+](=O)[O-])nc2)CC[N@H+]1C ZINC000590696096 342583498 /nfs/dbraw/zinc/58/34/98/342583498.db2.gz YXYUNAJEUWPJDV-ZJUUUORDSA-N 1 0 250.302 1.519 20 5 CDBDRO O=[N+]([O-])c1ncccc1NC[C@H]1CCC[N@H+]1CCCO ZINC000590708000 342585204 /nfs/dbraw/zinc/58/52/04/342585204.db2.gz DHIBIRQHRYOWLB-LLVKDONJSA-N 1 0 280.328 1.249 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000135359705 342070579 /nfs/dbraw/zinc/07/05/79/342070579.db2.gz PROKOLDYSISEMQ-ZYHUDNBSSA-N 1 0 277.324 1.855 20 5 CDBDRO C[N@@H+]1CC[C@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000609200910 342095796 /nfs/dbraw/zinc/09/57/96/342095796.db2.gz MWIYOJROCGEHLZ-LBPRGKRZSA-N 1 0 277.324 1.205 20 5 CDBDRO COc1cccc(N2CC[C@H]3CC[NH2+][C@@H]3C2)c1[N+](=O)[O-] ZINC000591437713 342631935 /nfs/dbraw/zinc/63/19/35/342631935.db2.gz JEWKXBCHVOHADN-GHMZBOCLSA-N 1 0 277.324 1.792 20 5 CDBDRO Cc1nc(N2CCC([C@@H]3CC[NH2+]C3)CC2)ncc1[N+](=O)[O-] ZINC000591442952 342632570 /nfs/dbraw/zinc/63/25/70/342632570.db2.gz XUIADXCVKMQGIJ-GFCCVEGCSA-N 1 0 291.355 1.519 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591448497 342632756 /nfs/dbraw/zinc/63/27/56/342632756.db2.gz JICOBQYZYLZKFQ-MFKMUULPSA-N 1 0 279.315 1.918 20 5 CDBDRO CC(C)[NH2+]CCC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000592012479 342661786 /nfs/dbraw/zinc/66/17/86/342661786.db2.gz DXUUPUVIRQDEPC-UHFFFAOYSA-N 1 0 294.355 1.511 20 5 CDBDRO CCCN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CC[N@H+](C)C1 ZINC000592459966 342694161 /nfs/dbraw/zinc/69/41/61/342694161.db2.gz ROZSKNKMXLNIGY-LLVKDONJSA-N 1 0 294.355 1.490 20 5 CDBDRO CC1(C)C[NH2+]CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000592473388 342698425 /nfs/dbraw/zinc/69/84/25/342698425.db2.gz BRCPIYUATVRNTR-UHFFFAOYSA-N 1 0 292.339 1.217 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000592544921 342708704 /nfs/dbraw/zinc/70/87/04/342708704.db2.gz KBEHKCRIXDGFRJ-NWDGAFQWSA-N 1 0 289.335 1.727 20 5 CDBDRO O=C([C@H]1CCC[NH2+]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000592558411 342709673 /nfs/dbraw/zinc/70/96/73/342709673.db2.gz NLGFCABSAFVNCS-CQSZACIVSA-N 1 0 289.335 1.838 20 5 CDBDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000593067102 342762150 /nfs/dbraw/zinc/76/21/50/342762150.db2.gz TUWSKIWGUJHDRM-CHWSQXEVSA-N 1 0 266.297 1.176 20 5 CDBDRO C[C@@H]([NH3+])CCC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000070316157 361929506 /nfs/dbraw/zinc/92/95/06/361929506.db2.gz CDHHCSGVFRMDOF-NXEZZACHSA-N 1 0 265.313 1.899 20 5 CDBDRO COCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000150910651 362002006 /nfs/dbraw/zinc/00/20/06/362002006.db2.gz MMAVHHRQWXFVCF-UHFFFAOYSA-N 1 0 282.344 1.678 20 5 CDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000594003742 342862393 /nfs/dbraw/zinc/86/23/93/342862393.db2.gz SIFNTKSVCKYHKT-NWDGAFQWSA-N 1 0 268.288 1.983 20 5 CDBDRO CC1(C)[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1O ZINC000594003658 342862551 /nfs/dbraw/zinc/86/25/51/342862551.db2.gz KAJVRJWWFOLKGT-NEPJUHHUSA-N 1 0 291.307 1.985 20 5 CDBDRO O=C1NCCCC[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594495378 342914237 /nfs/dbraw/zinc/91/42/37/342914237.db2.gz VPBMNQVXZMBYKB-QWHCGFSZSA-N 1 0 289.335 1.840 20 5 CDBDRO C[C@H](CO)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594501980 342914415 /nfs/dbraw/zinc/91/44/15/342914415.db2.gz ACGHQCOXOWXLFQ-CABZTGNLSA-N 1 0 250.298 1.800 20 5 CDBDRO C[NH2+]C1(CNC(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000600825292 342251824 /nfs/dbraw/zinc/25/18/24/342251824.db2.gz RBRDMFBLSZXYIP-UHFFFAOYSA-N 1 0 263.297 1.467 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000092952507 342270312 /nfs/dbraw/zinc/27/03/12/342270312.db2.gz IDALORYTIDCUDF-MWLCHTKSSA-N 1 0 263.297 1.840 20 5 CDBDRO CCc1ccc(C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000595229099 343009444 /nfs/dbraw/zinc/00/94/44/343009444.db2.gz QVAJWXNHMVHESS-MFKMUULPSA-N 1 0 291.351 1.967 20 5 CDBDRO Cc1noc(CN2CCC[N@@H+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000595305694 343031012 /nfs/dbraw/zinc/03/10/12/343031012.db2.gz JBTXFKIMMNOKTK-UHFFFAOYSA-N 1 0 282.344 1.807 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCN1CCOCC1 ZINC000075713569 342312298 /nfs/dbraw/zinc/31/22/98/342312298.db2.gz ONDLUAUGZBEJSR-CYBMUJFWSA-N 1 0 293.367 1.920 20 5 CDBDRO CC[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)[NH+]1CCCC1 ZINC000076268107 342320387 /nfs/dbraw/zinc/32/03/87/342320387.db2.gz PBYMNZLFHHZCIF-SECBINFHSA-N 1 0 280.332 1.253 20 5 CDBDRO CC[C@H](C)[NH+]1CCN(Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595520592 343088131 /nfs/dbraw/zinc/08/81/31/343088131.db2.gz NKCRRTHYKSAUEO-JTQLQIEISA-N 1 0 282.344 1.807 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000235727271 362040752 /nfs/dbraw/zinc/04/07/52/362040752.db2.gz SDXYSFKQYTWBSB-WDEREUQCSA-N 1 0 277.324 1.774 20 5 CDBDRO CC(C)[NH2+]CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000595926743 343183529 /nfs/dbraw/zinc/18/35/29/343183529.db2.gz QOYQTTCHHVURJP-UHFFFAOYSA-N 1 0 277.284 1.408 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000595984075 343211533 /nfs/dbraw/zinc/21/15/33/343211533.db2.gz USGLGEOMDNJMTQ-QMMMGPOBSA-N 1 0 251.286 1.241 20 5 CDBDRO Nc1ccc(N2CCCC[C@@H]2CC[NH3+])nc1[N+](=O)[O-] ZINC000596015871 343219309 /nfs/dbraw/zinc/21/93/09/343219309.db2.gz IERFOTLGYPPURE-SECBINFHSA-N 1 0 265.317 1.280 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000595925351 343193317 /nfs/dbraw/zinc/19/33/17/343193317.db2.gz ZPRNWPWQMRXFNZ-JTQLQIEISA-N 1 0 251.286 1.840 20 5 CDBDRO Cc1cc(CO)cc(NCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000596088605 343233579 /nfs/dbraw/zinc/23/35/79/343233579.db2.gz LQPCIOFXHPTEFG-UHFFFAOYSA-N 1 0 287.319 1.867 20 5 CDBDRO C[C@@H]1C[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000596157368 343254743 /nfs/dbraw/zinc/25/47/43/343254743.db2.gz YRJZISOZHRMALQ-BDAKNGLRSA-N 1 0 278.312 1.733 20 5 CDBDRO CC[N@@H+]1CCC[C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596097547 343235372 /nfs/dbraw/zinc/23/53/72/343235372.db2.gz ZAMRRFOUTFBZDU-SNVBAGLBSA-N 1 0 280.328 1.839 20 5 CDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCCC[NH2+]C1CC1 ZINC000209445299 342438699 /nfs/dbraw/zinc/43/86/99/342438699.db2.gz BHAPWYHXWRPOAH-TWGQIWQCSA-N 1 0 289.335 1.866 20 5 CDBDRO Cc1nn(C)c(N2CC[C@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000368305729 282272515 /nfs/dbraw/zinc/27/25/15/282272515.db2.gz ZFBIJPUMCGLTFN-ZDUSSCGKSA-N 1 0 279.344 1.169 20 5 CDBDRO C[C@@H](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[NH+](C)C ZINC000597999951 343685719 /nfs/dbraw/zinc/68/57/19/343685719.db2.gz TZNVMFYZPHGWLL-QMMMGPOBSA-N 1 0 298.318 1.386 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000598342239 343771084 /nfs/dbraw/zinc/77/10/84/343771084.db2.gz LBHGKHBMUVBFCN-SNVBAGLBSA-N 1 0 283.353 1.870 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)ccc1[N+](=O)[O-] ZINC000598667832 343859157 /nfs/dbraw/zinc/85/91/57/343859157.db2.gz MKKFZRDLMLVQKO-WFASDCNBSA-N 1 0 289.335 1.857 20 5 CDBDRO COc1ccc(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598681783 343864664 /nfs/dbraw/zinc/86/46/64/343864664.db2.gz JMSLBNLDLSPSHL-SWLSCSKDSA-N 1 0 291.351 1.917 20 5 CDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000598668473 343871193 /nfs/dbraw/zinc/87/11/93/343871193.db2.gz UHBYHSQVDAJIHP-FZMZJTMJSA-N 1 0 275.308 1.548 20 5 CDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000598915989 343920157 /nfs/dbraw/zinc/92/01/57/343920157.db2.gz SCMUAOPMNVQMNW-IINYFYTJSA-N 1 0 290.323 1.940 20 5 CDBDRO [NH3+]C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000598917080 343920652 /nfs/dbraw/zinc/92/06/52/343920652.db2.gz VDABOTDNRMILKG-UHFFFAOYSA-N 1 0 282.275 1.689 20 5 CDBDRO CCN(CC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000599614939 344095439 /nfs/dbraw/zinc/09/54/39/344095439.db2.gz WKQIDKHQIQFLRH-UHFFFAOYSA-N 1 0 266.301 1.716 20 5 CDBDRO C[NH+](C)CC1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602071097 344332798 /nfs/dbraw/zinc/33/27/98/344332798.db2.gz AHPLSNRUJZPPOC-UHFFFAOYSA-N 1 0 277.324 1.553 20 5 CDBDRO C[NH+](C)CC1(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000602129853 344355895 /nfs/dbraw/zinc/35/58/95/344355895.db2.gz GNOPKJYOQNBMKX-UHFFFAOYSA-N 1 0 291.351 1.595 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601972074 344300566 /nfs/dbraw/zinc/30/05/66/344300566.db2.gz HBNRDMFWYYCMKZ-TXEJJXNPSA-N 1 0 278.308 1.682 20 5 CDBDRO O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000601973127 344300719 /nfs/dbraw/zinc/30/07/19/344300719.db2.gz HSWYNXFSDBAPHU-RISCZKNCSA-N 1 0 275.308 1.467 20 5 CDBDRO Cc1cc(C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)cc([N+](=O)[O-])c1 ZINC000601976712 344305729 /nfs/dbraw/zinc/30/57/29/344305729.db2.gz XSKBHBLBLVDIIT-DOMZBBRYSA-N 1 0 289.335 1.775 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602423483 344420742 /nfs/dbraw/zinc/42/07/42/344420742.db2.gz ZEMQCYISVZKFJJ-QMMMGPOBSA-N 1 0 267.260 1.297 20 5 CDBDRO CC(C)[NH2+]CCCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602428035 344422231 /nfs/dbraw/zinc/42/22/31/344422231.db2.gz NDKHOARYDNASED-UHFFFAOYSA-N 1 0 283.303 1.852 20 5 CDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1c(F)cccc1[N+](=O)[O-] ZINC000602430156 344423157 /nfs/dbraw/zinc/42/31/57/344423157.db2.gz WIQDSQPZMHRGMX-SECBINFHSA-N 1 0 281.287 1.463 20 5 CDBDRO CC[NH2+][C@@H](C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000602457572 344437692 /nfs/dbraw/zinc/43/76/92/344437692.db2.gz GWGVRHYSCJCEOQ-JTQLQIEISA-N 1 0 265.313 1.252 20 5 CDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1c(F)cccc1[N+](=O)[O-])C2 ZINC000602530139 344455667 /nfs/dbraw/zinc/45/56/67/344455667.db2.gz PAOBWWIIQJGQPT-LKFCYVNXSA-N 1 0 293.298 1.687 20 5 CDBDRO Cn1ncnc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000602559900 344468195 /nfs/dbraw/zinc/46/81/95/344468195.db2.gz JGZHBDJOSBYLRW-UHFFFAOYSA-N 1 0 289.339 1.836 20 5 CDBDRO C[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CS1 ZINC000602567419 344483740 /nfs/dbraw/zinc/48/37/40/344483740.db2.gz DFXQBQHYYKFIEK-RKDXNWHRSA-N 1 0 256.331 1.275 20 5 CDBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H](C)CO ZINC000602674956 344525169 /nfs/dbraw/zinc/52/51/69/344525169.db2.gz GSCGVDVJBCRGQP-VIFPVBQESA-N 1 0 279.296 1.939 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](C)CC1(C)C ZINC000602795894 344586668 /nfs/dbraw/zinc/58/66/68/344586668.db2.gz CDGQXCPUBGYMMS-UHFFFAOYSA-N 1 0 281.360 1.126 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000159594000 362414077 /nfs/dbraw/zinc/41/40/77/362414077.db2.gz MGJYLCJCWVEHRQ-UHFFFAOYSA-N 1 0 281.312 1.333 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1[C@H](C)CC[C@H]1C ZINC000602786233 344599183 /nfs/dbraw/zinc/59/91/83/344599183.db2.gz DRWPUSOIRZGGSW-NXEZZACHSA-N 1 0 252.318 1.973 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CCC[C@H]1C ZINC000602817344 344607423 /nfs/dbraw/zinc/60/74/23/344607423.db2.gz BANKSKKWENFWOR-KOLCDFICSA-N 1 0 252.318 1.878 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccccn1 ZINC000602837054 344619700 /nfs/dbraw/zinc/61/97/00/344619700.db2.gz SLORINZCILUOEY-UHFFFAOYSA-N 1 0 275.312 1.627 20 5 CDBDRO CO[C@]1(C)C[C@@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])C1(C)C ZINC000602838277 344619990 /nfs/dbraw/zinc/61/99/90/344619990.db2.gz BAJZDCBGJHYEHP-BXUZGUMPSA-N 1 0 296.371 1.893 20 5 CDBDRO COc1cc([N+](=O)[O-])cn(CCC[NH+]2CCCCC2)c1=O ZINC000603359596 344783208 /nfs/dbraw/zinc/78/32/08/344783208.db2.gz QDQWILOJPHFJCJ-UHFFFAOYSA-N 1 0 295.339 1.641 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@H]2CSCC[NH2+]2)c(F)c1 ZINC000603421016 344799870 /nfs/dbraw/zinc/79/98/70/344799870.db2.gz XEFGGCUXFNSYLV-ZETCQYMHSA-N 1 0 272.305 1.246 20 5 CDBDRO Nc1ccc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000293358616 362548101 /nfs/dbraw/zinc/54/81/01/362548101.db2.gz KHHJKEFSWOVSDC-ZYHUDNBSSA-N 1 0 290.323 1.001 20 5 CDBDRO COc1ccc(C(=O)N[C@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000320183443 345071098 /nfs/dbraw/zinc/07/10/98/345071098.db2.gz ZEWIBUQJGOVXIY-DTWKUNHWSA-N 1 0 281.312 1.459 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC(C2CC2)C2CC2)c1 ZINC000088457863 346063161 /nfs/dbraw/zinc/06/31/61/346063161.db2.gz HVCILDMBZQVMGR-CYBMUJFWSA-N 1 0 294.355 1.178 20 5 CDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000270784173 190812982 /nfs/dbraw/zinc/81/29/82/190812982.db2.gz PTOCVRRVQZJMIE-JTQLQIEISA-N 1 0 293.327 1.018 20 5 CDBDRO O=[N+]([O-])c1cccc(-c2ncn(C[C@@H]3CC[NH2+]C3)n2)c1 ZINC000122458414 347648418 /nfs/dbraw/zinc/64/84/18/347648418.db2.gz YXYALTDZHXRDJK-SNVBAGLBSA-N 1 0 273.296 1.463 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000054375094 347821390 /nfs/dbraw/zinc/82/13/90/347821390.db2.gz ONCSBVMOJCZIIB-SNVBAGLBSA-N 1 0 272.308 1.941 20 5 CDBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000273449367 192154311 /nfs/dbraw/zinc/15/43/11/192154311.db2.gz OJFCCHJCHLIOOJ-JTQLQIEISA-N 1 0 298.364 1.757 20 5 CDBDRO COc1cc(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000129899579 187459348 /nfs/dbraw/zinc/45/93/48/187459348.db2.gz NBIZSVORSSCZPT-VHSXEESVSA-N 1 0 293.323 1.426 20 5 CDBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000110791566 186324428 /nfs/dbraw/zinc/32/44/28/186324428.db2.gz NAKJFFGKORTKDK-NSHDSACASA-N 1 0 277.324 1.714 20 5 CDBDRO Nc1ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)nc1[N+](=O)[O-] ZINC000313077831 350815736 /nfs/dbraw/zinc/81/57/36/350815736.db2.gz WMTKCDOPDOEWHJ-VIFPVBQESA-N 1 0 277.328 1.468 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000312402945 350768516 /nfs/dbraw/zinc/76/85/16/350768516.db2.gz HXLMIRXMVRNKKY-KBVBSXBZSA-N 1 0 280.328 1.050 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000123745313 351282922 /nfs/dbraw/zinc/28/29/22/351282922.db2.gz XTPIBJDFWJVJLH-MFKMUULPSA-N 1 0 265.313 1.143 20 5 CDBDRO CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000295159172 199378231 /nfs/dbraw/zinc/37/82/31/199378231.db2.gz DODJDEICYWYVIO-VOTSOKGWSA-N 1 0 275.308 1.556 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000156443760 351491459 /nfs/dbraw/zinc/49/14/59/351491459.db2.gz NTMNSKFGODJHMA-BXKDBHETSA-N 1 0 294.311 1.175 20 5 CDBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C)C1 ZINC000153987021 188116620 /nfs/dbraw/zinc/11/66/20/188116620.db2.gz MKXXAIFHWLHNAS-AWEZNQCLSA-N 1 0 291.351 1.690 20 5 CDBDRO CNC(=O)CCC[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154926501 188170644 /nfs/dbraw/zinc/17/06/44/188170644.db2.gz JOYSTRKYUJLFDA-CYBMUJFWSA-N 1 0 295.339 1.086 20 5 CDBDRO CNC(=O)CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000155217680 188190946 /nfs/dbraw/zinc/19/09/46/188190946.db2.gz RMPQHWRXQUSDCY-UHFFFAOYSA-N 1 0 265.313 1.553 20 5 CDBDRO Cc1c(C(=O)N[C@@H](C)CCC[NH3+])cccc1[N+](=O)[O-] ZINC000295172393 199387418 /nfs/dbraw/zinc/38/74/18/199387418.db2.gz GHXBSBZMHFJKLL-VIFPVBQESA-N 1 0 265.313 1.760 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000157161680 188300641 /nfs/dbraw/zinc/30/06/41/188300641.db2.gz WXKYYJBPBRVXLV-LBPRGKRZSA-N 1 0 299.758 1.890 20 5 CDBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H]1OC ZINC000157197733 188303383 /nfs/dbraw/zinc/30/33/83/188303383.db2.gz KWAJXYJYOPTYLW-BNOWGMLFSA-N 1 0 280.324 1.877 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000036933007 363292730 /nfs/dbraw/zinc/29/27/30/363292730.db2.gz IJEFIICDPMQJNU-QWHCGFSZSA-N 1 0 293.367 1.966 20 5 CDBDRO CN(C)C(=O)[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000411939091 363383285 /nfs/dbraw/zinc/38/32/85/363383285.db2.gz NIJAGYFDVVNCFY-CYBMUJFWSA-N 1 0 291.351 1.547 20 5 CDBDRO CC[N@@H+]1CCN(c2ncc(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286204287 356231876 /nfs/dbraw/zinc/23/18/76/356231876.db2.gz BYNYHTSRCUQBOO-NSHDSACASA-N 1 0 264.329 1.829 20 5 CDBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]2CCO)c1 ZINC000336788755 356262259 /nfs/dbraw/zinc/26/22/59/356262259.db2.gz QRMPVUZJGRVEMZ-LBPRGKRZSA-N 1 0 250.298 1.942 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)nc1 ZINC000219295613 356306102 /nfs/dbraw/zinc/30/61/02/356306102.db2.gz VKDDNUDNJHTARY-MNOVXSKESA-N 1 0 263.301 1.424 20 5 CDBDRO CC1(C)CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000175389379 356499933 /nfs/dbraw/zinc/49/99/33/356499933.db2.gz RLSYBOSOBIIAPX-BQYQJAHWSA-N 1 0 289.335 1.818 20 5 CDBDRO CSCC[C@@H](C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176249336 366298373 /nfs/dbraw/zinc/29/83/73/366298373.db2.gz BXWIWWJVPZGBFJ-SNVBAGLBSA-N 1 0 272.374 1.865 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)cc1 ZINC000106379909 357242211 /nfs/dbraw/zinc/24/22/11/357242211.db2.gz NQIDTVLTRJBLSS-OAHLLOKOSA-N 1 0 291.351 1.548 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)CCC(F)(F)F ZINC000350724764 357476772 /nfs/dbraw/zinc/47/67/72/357476772.db2.gz OHERLILLAYOLMQ-UHFFFAOYSA-N 1 0 266.223 1.676 20 5 CDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCC1=CC[NH2+]CC1 ZINC000186304438 357635798 /nfs/dbraw/zinc/63/57/98/357635798.db2.gz WZLMYCBMFNNZBO-UHFFFAOYSA-N 1 0 291.307 1.010 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360821326 357693163 /nfs/dbraw/zinc/69/31/63/357693163.db2.gz ZBHMFAIYPBDXGP-CQSZACIVSA-N 1 0 290.323 1.124 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000135231293 357799533 /nfs/dbraw/zinc/79/95/33/357799533.db2.gz HWZIUMLDJHZHGJ-MRVPVSSYSA-N 1 0 267.260 1.168 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135244672 357814446 /nfs/dbraw/zinc/81/44/46/357814446.db2.gz LZMSGLSONFFOGV-SNVBAGLBSA-N 1 0 283.303 1.981 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000262270178 357842468 /nfs/dbraw/zinc/84/24/68/357842468.db2.gz VQFKUIUYLOKORV-ZANVPECISA-N 1 0 292.339 1.519 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[C@@H](O)C2)cc1 ZINC000188812742 357939726 /nfs/dbraw/zinc/93/97/26/357939726.db2.gz SMRJMTYUKCDITA-WCQYABFASA-N 1 0 250.298 1.845 20 5 CDBDRO COCCC[N@H+](CCO)Cc1cccc([N+](=O)[O-])c1C ZINC000189882791 358043736 /nfs/dbraw/zinc/04/37/36/358043736.db2.gz BPYWOHYBVPOZBY-UHFFFAOYSA-N 1 0 282.340 1.734 20 5 CDBDRO C[NH+](C)CCCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000287148114 358111498 /nfs/dbraw/zinc/11/14/98/358111498.db2.gz XVBWVEGFTOIWRP-UHFFFAOYSA-N 1 0 281.341 1.963 20 5 CDBDRO Cc1c(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000361558434 358319830 /nfs/dbraw/zinc/31/98/30/358319830.db2.gz WVAFGFSPLMTDQU-CQSZACIVSA-N 1 0 277.324 1.601 20 5 CDBDRO Cc1cc(C(=O)N[C@@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000287227249 358342672 /nfs/dbraw/zinc/34/26/72/358342672.db2.gz PCTDFRYWDWPFMD-JTQLQIEISA-N 1 0 265.313 1.583 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000127353029 358356935 /nfs/dbraw/zinc/35/69/35/358356935.db2.gz PNOJPFVJSYNVAV-BDAKNGLRSA-N 1 0 253.277 1.907 20 5 CDBDRO Nc1ccc(C(=O)NCCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000294884131 199230774 /nfs/dbraw/zinc/23/07/74/199230774.db2.gz QHVNPWAAWVGNLP-LLVKDONJSA-N 1 0 292.339 1.439 20 5 CDBDRO CNC(=O)[C@@H](C)C[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000267048108 283382353 /nfs/dbraw/zinc/38/23/53/283382353.db2.gz FNAHROGCHPOXCJ-QWRGUYRKSA-N 1 0 279.340 1.970 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000132679129 358574856 /nfs/dbraw/zinc/57/48/56/358574856.db2.gz KPCVNTXIQFKNDA-SECBINFHSA-N 1 0 281.287 1.415 20 5 CDBDRO COCC[C@@H](CO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567123906 358630755 /nfs/dbraw/zinc/63/07/55/358630755.db2.gz VFFMKBSZMZQUOA-GWCFXTLKSA-N 1 0 280.324 1.569 20 5 CDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCC1 ZINC000341566024 358661603 /nfs/dbraw/zinc/66/16/03/358661603.db2.gz ONNUUVFEMQOZSG-UHFFFAOYSA-N 1 0 265.313 1.631 20 5 CDBDRO C[N@H+](C[C@H](O)COc1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000290833353 358663480 /nfs/dbraw/zinc/66/34/80/358663480.db2.gz UVPHGJLBPBRXLW-LBPRGKRZSA-N 1 0 284.287 1.568 20 5 CDBDRO CCNC(=O)[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567486960 358688572 /nfs/dbraw/zinc/68/85/72/358688572.db2.gz ZEJJNUAPYVKMMN-SKDRFNHKSA-N 1 0 277.324 1.696 20 5 CDBDRO COc1cc(C[NH2+]CCC(C)(C)CO)c([N+](=O)[O-])cc1O ZINC000294936619 199259521 /nfs/dbraw/zinc/25/95/21/199259521.db2.gz ZXXRAGUCVYKKTA-UHFFFAOYSA-N 1 0 298.339 1.807 20 5 CDBDRO COCC[C@H]1COCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000291228980 358899215 /nfs/dbraw/zinc/89/92/15/358899215.db2.gz MENIQNWREYVQFO-LBPRGKRZSA-N 1 0 298.314 1.971 20 5 CDBDRO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000251665582 140312014 /nfs/dbraw/zinc/31/20/14/140312014.db2.gz LFYIAAIWSLTZDK-SMDDNHRTSA-N 1 0 264.325 1.840 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCSC1 ZINC000120037446 359068772 /nfs/dbraw/zinc/06/87/72/359068772.db2.gz FNFXCEBROWDIGL-SECBINFHSA-N 1 0 256.331 1.229 20 5 CDBDRO COc1ccc(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)cc1[N+](=O)[O-] ZINC000297349524 200158204 /nfs/dbraw/zinc/15/82/04/200158204.db2.gz JCPDRMVVZWAKGH-MWLCHTKSSA-N 1 0 293.323 1.555 20 5 CDBDRO Cc1nc(N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000297359051 200161707 /nfs/dbraw/zinc/16/17/07/200161707.db2.gz BWFBKXVUNCMXPN-KOLCDFICSA-N 1 0 279.344 1.470 20 5 CDBDRO C[NH2+]CC1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000063159561 360071374 /nfs/dbraw/zinc/07/13/74/360071374.db2.gz YBUZKRBIVPHQPA-UHFFFAOYSA-N 1 0 283.353 1.728 20 5 CDBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCOC1 ZINC000348150380 360525701 /nfs/dbraw/zinc/52/57/01/360525701.db2.gz YMSNHGMKGQBTBL-WDEREUQCSA-N 1 0 268.317 1.196 20 5 CDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000238021971 360705715 /nfs/dbraw/zinc/70/57/15/360705715.db2.gz YMPCFEKPXNFPDL-ZDUSSCGKSA-N 1 0 291.351 1.643 20 5 CDBDRO C[C@H](C[C@H](C)O)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000572404375 360740086 /nfs/dbraw/zinc/74/00/86/360740086.db2.gz ILVFOSIKVJGDLG-NTZNESFSSA-N 1 0 298.339 1.084 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[NH2+]C2)c1 ZINC000179056558 189165682 /nfs/dbraw/zinc/16/56/82/189165682.db2.gz FRYHRVFTLBPMTK-VIFPVBQESA-N 1 0 279.296 1.037 20 5 CDBDRO C[N@@H+]1CC[C@](O)(CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000358297690 360936731 /nfs/dbraw/zinc/93/67/31/360936731.db2.gz FSYGKTUKZXBEQS-NSHDSACASA-N 1 0 286.719 1.122 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+]CCCOCCO)cc1[N+](=O)[O-] ZINC000180245350 189246111 /nfs/dbraw/zinc/24/61/11/189246111.db2.gz CLJAKBPPJJNMSZ-LBPRGKRZSA-N 1 0 282.340 1.953 20 5 CDBDRO C[NH2+][C@@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000053204176 361205625 /nfs/dbraw/zinc/20/56/25/361205625.db2.gz IEMUFYGIIXYJEG-LLVKDONJSA-N 1 0 292.339 1.217 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccccn2)C2CC2)n1 ZINC000180855668 189279951 /nfs/dbraw/zinc/27/99/51/189279951.db2.gz AHSLUGXOBBWBHA-UHFFFAOYSA-N 1 0 287.323 1.851 20 5 CDBDRO CO[C@@H](C)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000182058508 189312921 /nfs/dbraw/zinc/31/29/21/189312921.db2.gz XFZVMBYKELMZRZ-LBPRGKRZSA-N 1 0 279.340 1.752 20 5 CDBDRO Cc1cc(C(=O)NC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000053253303 361403595 /nfs/dbraw/zinc/40/35/95/361403595.db2.gz ZUFWJXHOEHZGDV-LLVKDONJSA-N 1 0 263.297 1.385 20 5 CDBDRO COc1ccc(C[NH2+][C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000168893396 361560508 /nfs/dbraw/zinc/56/05/08/361560508.db2.gz LOBHNGLNLCNPBF-JTQLQIEISA-N 1 0 267.329 1.643 20 5 CDBDRO COc1ccc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000186810190 189451969 /nfs/dbraw/zinc/45/19/69/189451969.db2.gz LRMUEUVTVXQMCC-ONGXEEELSA-N 1 0 293.323 1.331 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])nc2)C[C@H]1C ZINC000580339854 363902716 /nfs/dbraw/zinc/90/27/16/363902716.db2.gz JHEJEOXKIWTYCD-MNOVXSKESA-N 1 0 264.329 1.909 20 5 CDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000345816259 364022888 /nfs/dbraw/zinc/02/28/88/364022888.db2.gz KNVTYTGILMFGBR-CHWSQXEVSA-N 1 0 277.324 1.599 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)ccc1[N+](=O)[O-] ZINC000189306152 189529442 /nfs/dbraw/zinc/52/94/42/189529442.db2.gz CYRXZHWYTMSBDV-CMPLNLGQSA-N 1 0 277.324 1.774 20 5 CDBDRO O=[N+]([O-])c1cnn(CCN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000174871551 364586753 /nfs/dbraw/zinc/58/67/53/364586753.db2.gz VYZPDQIFJIZFKW-CYBMUJFWSA-N 1 0 293.371 1.209 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]([NH3+])C2CC2)c1 ZINC000137293414 364714767 /nfs/dbraw/zinc/71/47/67/364714767.db2.gz GZPOHMSJSIRVFX-NSHDSACASA-N 1 0 279.296 1.071 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000384608004 364824139 /nfs/dbraw/zinc/82/41/39/364824139.db2.gz LCYFVMVBODVVAO-SVJDAXRGSA-N 1 0 289.335 1.946 20 5 CDBDRO Cc1c(C[NH2+][C@@H]2CCCNC(=O)C2)cccc1[N+](=O)[O-] ZINC000231884878 364998062 /nfs/dbraw/zinc/99/80/62/364998062.db2.gz PQRNEGIMCYNTGC-GFCCVEGCSA-N 1 0 277.324 1.662 20 5 CDBDRO O=[N+]([O-])c1cccnc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000110490119 365051155 /nfs/dbraw/zinc/05/11/55/365051155.db2.gz LBJPOVMQVYBFOY-GHMZBOCLSA-N 1 0 278.312 1.265 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000564172745 365383165 /nfs/dbraw/zinc/38/31/65/365383165.db2.gz GZJSSYQNKGVJOR-LLVKDONJSA-N 1 0 294.355 1.488 20 5 CDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000564230343 365395628 /nfs/dbraw/zinc/39/56/28/365395628.db2.gz QHMLSMJENNIMFK-SNVBAGLBSA-N 1 0 295.343 1.122 20 5 CDBDRO CN(CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000089936200 366969469 /nfs/dbraw/zinc/96/94/69/366969469.db2.gz PADMGNJVCPYSAI-LBPRGKRZSA-N 1 0 295.364 1.971 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH3+])C1 ZINC000414653228 241300950 /nfs/dbraw/zinc/30/09/50/241300950.db2.gz DYLOBOLGZYOIFN-VIFPVBQESA-N 1 0 264.285 1.468 20 5 CDBDRO CC[NH2+]CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000414651353 241302175 /nfs/dbraw/zinc/30/21/75/241302175.db2.gz CFNURRDKYZNAIE-UHFFFAOYSA-N 1 0 266.301 1.634 20 5 CDBDRO Cc1ccc(NC(=O)N2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000414657526 241305246 /nfs/dbraw/zinc/30/52/46/241305246.db2.gz KISGRRHVWSHNLA-SECBINFHSA-N 1 0 264.285 1.468 20 5 CDBDRO Cc1c(NC(=O)NC[C@@H]2C[NH2+]CCO2)cccc1[N+](=O)[O-] ZINC000414696431 241332677 /nfs/dbraw/zinc/33/26/77/241332677.db2.gz HNUQHQLXOWOLBD-JTQLQIEISA-N 1 0 294.311 1.013 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000094340105 367184052 /nfs/dbraw/zinc/18/40/52/367184052.db2.gz IVMPHAPKGBCOTF-JQWIXIFHSA-N 1 0 277.324 1.713 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)C1C[NH2+]C1 ZINC000415479769 241700618 /nfs/dbraw/zinc/70/06/18/241700618.db2.gz GOCADHXATIJBKZ-UHFFFAOYSA-N 1 0 278.312 1.647 20 5 CDBDRO COCC(COC)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000385011454 367370090 /nfs/dbraw/zinc/37/00/90/367370090.db2.gz XWVQYUGTBHOQAH-UHFFFAOYSA-N 1 0 254.286 1.346 20 5 CDBDRO C[C@H](NC(=O)N[C@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000417140136 242334455 /nfs/dbraw/zinc/33/44/55/242334455.db2.gz PMGXEGGAZDYUEE-TVQRCGJNSA-N 1 0 292.339 1.692 20 5 CDBDRO C[C@H](O)[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000272634748 367785898 /nfs/dbraw/zinc/78/58/98/367785898.db2.gz WTSZOZJRJNGILX-NWDGAFQWSA-N 1 0 280.324 1.676 20 5 CDBDRO COc1cc(C(=O)NC(C)(C)C[NH3+])cc([N+](=O)[O-])c1OC ZINC000269189646 367911575 /nfs/dbraw/zinc/91/15/75/367911575.db2.gz WDADBXHPMOHSCW-UHFFFAOYSA-N 1 0 297.311 1.079 20 5 CDBDRO C[C@@]1(CO)CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000546810745 367949923 /nfs/dbraw/zinc/94/99/23/367949923.db2.gz LDYXAMSGFYWIJO-AWEZNQCLSA-N 1 0 280.324 1.820 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CC3)CC2)nc1 ZINC000269257769 368042231 /nfs/dbraw/zinc/04/22/31/368042231.db2.gz AFGLVUJBSCQYOM-UHFFFAOYSA-N 1 0 262.313 1.711 20 5 CDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269302133 368259213 /nfs/dbraw/zinc/25/92/13/368259213.db2.gz XZSKTHOUTIKPKK-DTWKUNHWSA-N 1 0 295.343 1.080 20 5 CDBDRO CC(=O)c1cc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000420269732 244001809 /nfs/dbraw/zinc/00/18/09/244001809.db2.gz YFESOPAQYUWLLP-NEPJUHHUSA-N 1 0 289.335 1.843 20 5 CDBDRO C[C@@H](C[NH3+])N(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420293263 244036380 /nfs/dbraw/zinc/03/63/80/244036380.db2.gz QQIFQVDYMMQYOI-JTQLQIEISA-N 1 0 280.328 1.202 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000420293525 244039229 /nfs/dbraw/zinc/03/92/29/244039229.db2.gz YDCHRYSBBSFWGI-HTQZYQBOSA-N 1 0 256.331 1.403 20 5 CDBDRO C[C@]1(F)C[NH2+]CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000420335069 244102497 /nfs/dbraw/zinc/10/24/97/244102497.db2.gz OYIQZQGYCPHXSC-AWEZNQCLSA-N 1 0 297.330 1.607 20 5 CDBDRO Cc1c(NC(=O)CCN(C)CC[NH3+])cccc1[N+](=O)[O-] ZINC000420367944 244157072 /nfs/dbraw/zinc/15/70/72/244157072.db2.gz ANMZXRYUBADVPO-UHFFFAOYSA-N 1 0 280.328 1.122 20 5 CDBDRO C[C@H](NC(=O)C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000037766487 370079350 /nfs/dbraw/zinc/07/93/50/370079350.db2.gz UXHREXXIYMFMSR-JTQLQIEISA-N 1 0 277.324 1.772 20 5 CDBDRO COc1cc(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000129899142 370125875 /nfs/dbraw/zinc/12/58/75/370125875.db2.gz NBIZSVORSSCZPT-NXEZZACHSA-N 1 0 293.323 1.426 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+](C2CC2)C1 ZINC000295561550 370487883 /nfs/dbraw/zinc/48/78/83/370487883.db2.gz MYYICLGORZHGGK-SNVBAGLBSA-N 1 0 293.323 1.744 20 5 CDBDRO COc1ccc(CN[C@@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000414932442 371144104 /nfs/dbraw/zinc/14/41/04/371144104.db2.gz RCTLLKLNXZZWMO-CMPLNLGQSA-N 1 0 279.340 1.691 20 5 CDBDRO Cc1c(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000331545321 203951595 /nfs/dbraw/zinc/95/15/95/203951595.db2.gz RAOHYXYBIHWHAE-LLVKDONJSA-N 1 0 289.335 1.870 20 5 CDBDRO Cc1c(CC(=O)N(C)[C@@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000422826492 245303885 /nfs/dbraw/zinc/30/38/85/245303885.db2.gz CEORPAKEZOFLRC-VIFPVBQESA-N 1 0 265.313 1.251 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC3(O)CCCC3)CC2)n1 ZINC000331909417 204284390 /nfs/dbraw/zinc/28/43/90/204284390.db2.gz KAFFLAROVIESSS-UHFFFAOYSA-N 1 0 294.355 1.733 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000236812782 189846645 /nfs/dbraw/zinc/84/66/45/189846645.db2.gz DYSGZSJHAGWYAA-NSHDSACASA-N 1 0 297.359 1.124 20 5 CDBDRO COc1ccc(NC(=O)N(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000272858656 371483277 /nfs/dbraw/zinc/48/32/77/371483277.db2.gz RQNRVSKFFGJLPH-UHFFFAOYSA-N 1 0 296.327 1.629 20 5 CDBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1[C@@H]1CCCO1 ZINC000368073655 371506080 /nfs/dbraw/zinc/50/60/80/371506080.db2.gz LMJAGQXEVIGGJG-QWHCGFSZSA-N 1 0 294.355 1.681 20 5 CDBDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000232281241 372900795 /nfs/dbraw/zinc/90/07/95/372900795.db2.gz QGVQULQJKAGISX-NSHDSACASA-N 1 0 295.314 1.692 20 5 CDBDRO COc1cc(C[N@H+](C)CC(C)(C)O)c([N+](=O)[O-])cc1OC ZINC000093414550 373014185 /nfs/dbraw/zinc/01/41/85/373014185.db2.gz CMKJWJQBOIJLLU-UHFFFAOYSA-N 1 0 298.339 1.815 20 5 CDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000543576962 373022966 /nfs/dbraw/zinc/02/29/66/373022966.db2.gz GOECWFISTQDNLA-LLVKDONJSA-N 1 0 294.355 1.395 20 5 CDBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000269652068 373370369 /nfs/dbraw/zinc/37/03/69/373370369.db2.gz HZNYCYXXEZXDTP-RNCFNFMXSA-N 1 0 295.339 1.593 20 5 CDBDRO CSc1ccc(C(=O)NC[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000441626749 373772620 /nfs/dbraw/zinc/77/26/20/373772620.db2.gz YRUPUJCSHOHBEW-QMMMGPOBSA-N 1 0 283.353 1.641 20 5 CDBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000298502492 373740276 /nfs/dbraw/zinc/74/02/76/373740276.db2.gz ZGSRYCPFDCYWJV-LLVKDONJSA-N 1 0 289.335 1.809 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])[nH]1 ZINC000299002157 374294579 /nfs/dbraw/zinc/29/45/79/374294579.db2.gz JVZNTQJFZYBTDQ-KOLCDFICSA-N 1 0 278.312 1.280 20 5 CDBDRO Cc1c(CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000423806766 246105026 /nfs/dbraw/zinc/10/50/26/246105026.db2.gz IQLWIALPHZPLHF-IUODEOHRSA-N 1 0 289.335 1.519 20 5 CDBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000299058097 374351098 /nfs/dbraw/zinc/35/10/98/374351098.db2.gz OPAGCCIYQCIGIG-UHFFFAOYSA-N 1 0 292.339 1.527 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH2+]CC1 ZINC000423838659 246133693 /nfs/dbraw/zinc/13/36/93/246133693.db2.gz HHGHEIFZUBBQKG-UHFFFAOYSA-N 1 0 297.742 1.864 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000389751144 374420522 /nfs/dbraw/zinc/42/05/22/374420522.db2.gz KYNMIFZUHRPTOL-UFBFGSQYSA-N 1 0 281.287 1.462 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+](C2CCC2)C2CCC2)c1 ZINC000429111138 374566976 /nfs/dbraw/zinc/56/69/76/374566976.db2.gz CEVPRNPGSSTALS-CQSZACIVSA-N 1 0 294.355 1.559 20 5 CDBDRO C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000154767032 374746850 /nfs/dbraw/zinc/74/68/50/374746850.db2.gz KBHOOURRFCDWEG-NOZJJQNGSA-N 1 0 283.303 1.865 20 5 CDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1(CO)CCOCC1 ZINC000276781947 374749338 /nfs/dbraw/zinc/74/93/38/374749338.db2.gz NEHXQVXTBTXKDA-UHFFFAOYSA-N 1 0 298.314 1.707 20 5 CDBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](O)CO)o1 ZINC000276708778 374743379 /nfs/dbraw/zinc/74/33/79/374743379.db2.gz GIYSPZIMPICJPT-SNVBAGLBSA-N 1 0 292.291 1.298 20 5 CDBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1CCO ZINC000449536968 374820568 /nfs/dbraw/zinc/82/05/68/374820568.db2.gz FRIUHVKYAKLWQS-BETUJISGSA-N 1 0 293.367 1.482 20 5 CDBDRO COC(=O)C(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000093716316 374779449 /nfs/dbraw/zinc/77/94/49/374779449.db2.gz ZGGXYBDYGQVDNX-UHFFFAOYSA-N 1 0 266.297 1.884 20 5 CDBDRO CC[NH2+]CCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000151385050 374939550 /nfs/dbraw/zinc/93/95/50/374939550.db2.gz ZYVSNBJAXQPQTC-UHFFFAOYSA-N 1 0 283.353 1.656 20 5 CDBDRO Cc1nn(C)c(NCC[N@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000280340061 374991961 /nfs/dbraw/zinc/99/19/61/374991961.db2.gz VMMQRNGGSCZZMX-UHFFFAOYSA-N 1 0 265.317 1.311 20 5 CDBDRO Cn1nccc1CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332008864 374996548 /nfs/dbraw/zinc/99/65/48/374996548.db2.gz RCGAURURTFLEAF-UHFFFAOYSA-N 1 0 273.296 1.282 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1CCCO ZINC000332680450 375042042 /nfs/dbraw/zinc/04/20/42/375042042.db2.gz JSLPEQVQAMLGPL-SNVBAGLBSA-N 1 0 268.317 1.065 20 5 CDBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332727462 375046955 /nfs/dbraw/zinc/04/69/55/375046955.db2.gz SPTHPAVPQFUGJI-VHSXEESVSA-N 1 0 252.318 1.949 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000049096580 375401475 /nfs/dbraw/zinc/40/14/75/375401475.db2.gz MWFMIUHOKZMFDR-SNVBAGLBSA-N 1 0 263.297 1.419 20 5 CDBDRO Cc1ccc(C[NH2+]C2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000227214400 375468011 /nfs/dbraw/zinc/46/80/11/375468011.db2.gz DXEUXRJDEUFXQU-UHFFFAOYSA-N 1 0 280.324 1.534 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)C(F)F ZINC000344765760 375421448 /nfs/dbraw/zinc/42/14/48/375421448.db2.gz CYTHGMXOVCPQDI-JTQLQIEISA-N 1 0 290.266 1.709 20 5 CDBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132574086 375530436 /nfs/dbraw/zinc/53/04/36/375530436.db2.gz WEYJQCFKAKFFOC-LLVKDONJSA-N 1 0 281.287 1.606 20 5 CDBDRO CN(Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1COC[C@H]1O ZINC000352813350 375540852 /nfs/dbraw/zinc/54/08/52/375540852.db2.gz CSARMQMFUYNSHO-VXGBXAGGSA-N 1 0 286.715 1.440 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCOCCO ZINC000344864443 375621312 /nfs/dbraw/zinc/62/13/12/375621312.db2.gz PXVGAEBDFOWIDJ-FMIVXFBMSA-N 1 0 280.324 1.597 20 5 CDBDRO C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])cn2)CCC[N@@H+]1C ZINC000354558234 375725537 /nfs/dbraw/zinc/72/55/37/375725537.db2.gz ASFWUQQBEMYNRY-WCBMZHEXSA-N 1 0 251.290 1.279 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](CO)CC(F)F)c1 ZINC000428639208 247339582 /nfs/dbraw/zinc/33/95/82/247339582.db2.gz HQGATNDYIPXKGB-VIFPVBQESA-N 1 0 260.240 1.701 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000357290614 375896170 /nfs/dbraw/zinc/89/61/70/375896170.db2.gz CYFLFKKXTWMTMV-DFAYQTQMSA-N 1 0 292.339 1.415 20 5 CDBDRO Cn1c(C(=O)NCC2(C)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000356916027 375868187 /nfs/dbraw/zinc/86/81/87/375868187.db2.gz LRARFXXAVNKYKU-UHFFFAOYSA-N 1 0 294.355 1.395 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000261638999 190041950 /nfs/dbraw/zinc/04/19/50/190041950.db2.gz WTLNHGLTBYXINI-XLDPMVHQSA-N 1 0 283.353 1.773 20 5 CDBDRO Cc1c(NC(=O)C[C@@H]2COCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000130213943 376113417 /nfs/dbraw/zinc/11/34/17/376113417.db2.gz LAYWSETXDROBRI-SNVBAGLBSA-N 1 0 279.296 1.220 20 5 CDBDRO CS[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000296443170 376150053 /nfs/dbraw/zinc/15/00/53/376150053.db2.gz WCSBNDDVFZKXLA-LLVKDONJSA-N 1 0 295.364 1.631 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000262974555 190065412 /nfs/dbraw/zinc/06/54/12/190065412.db2.gz XXTPVKLSWNWDAC-GHMZBOCLSA-N 1 0 292.339 1.263 20 5 CDBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC1 ZINC000263678623 190073105 /nfs/dbraw/zinc/07/31/05/190073105.db2.gz DWXDSPICTWFVDG-UHFFFAOYSA-N 1 0 266.301 1.137 20 5 CDBDRO COc1ccc(C[NH2+]C[C@@H]2CCCC(=O)N2)cc1[N+](=O)[O-] ZINC000433195331 248006538 /nfs/dbraw/zinc/00/65/38/248006538.db2.gz UBQBVMUTHFNPDN-NSHDSACASA-N 1 0 293.323 1.362 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173177811 378029789 /nfs/dbraw/zinc/02/97/89/378029789.db2.gz ZITKSYGQPWPKLL-GFCCVEGCSA-N 1 0 277.324 1.205 20 5 CDBDRO CN(CC[NH+]1CCCC1)c1ncc([N+](=O)[O-])s1 ZINC000443507341 250034037 /nfs/dbraw/zinc/03/40/37/250034037.db2.gz IDBAPMCDEUDGMT-UHFFFAOYSA-N 1 0 256.331 1.583 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]CC[C@H]3CCOC3)nc2c1 ZINC000446845734 250319037 /nfs/dbraw/zinc/31/90/37/250319037.db2.gz QHBCOIOYFDUURQ-JTQLQIEISA-N 1 0 290.323 1.987 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000266425584 190256346 /nfs/dbraw/zinc/25/63/46/190256346.db2.gz JOCZJGYGWWLOLM-LBPRGKRZSA-N 1 0 268.317 1.028 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCOC2)n1 ZINC000447564109 250387820 /nfs/dbraw/zinc/38/78/20/250387820.db2.gz UYUQTDPBFWCABB-RWMBFGLXSA-N 1 0 294.355 1.901 20 5 CDBDRO CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])c2nonc21 ZINC000267042239 190298772 /nfs/dbraw/zinc/29/87/72/190298772.db2.gz MSZLHPAVPJJLOE-UHFFFAOYSA-N 1 0 265.273 1.129 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)O ZINC000449152151 250722526 /nfs/dbraw/zinc/72/25/26/250722526.db2.gz ZYPSGJIBPQMTKD-JTQLQIEISA-N 1 0 252.314 1.886 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C[N@@H+]1C1CC1 ZINC000268038919 190371563 /nfs/dbraw/zinc/37/15/63/190371563.db2.gz XLRAUOMKXQLNCF-BDAKNGLRSA-N 1 0 278.312 1.278 20 5 CDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000268204357 190385520 /nfs/dbraw/zinc/38/55/20/190385520.db2.gz JLDXIYSPELGGQX-KWQFWETISA-N 1 0 295.364 1.869 20 5 CDBDRO Cc1sc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000449591470 250921900 /nfs/dbraw/zinc/92/19/00/250921900.db2.gz QNMIJOVSGQUUTG-RITPCOANSA-N 1 0 257.315 1.430 20 5 CDBDRO CC[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(=O)NC ZINC000449770635 251009153 /nfs/dbraw/zinc/00/91/53/251009153.db2.gz GBRTXEUUDYNBDC-WAFBPQNNSA-N 1 0 277.324 1.722 20 5 CDBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)NC ZINC000449772651 251012492 /nfs/dbraw/zinc/01/24/92/251012492.db2.gz IRXOBTWTEGYDCS-LLVKDONJSA-N 1 0 251.286 1.209 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279338135 194390869 /nfs/dbraw/zinc/39/08/69/194390869.db2.gz DGHXSQSOSLCUMD-MRVPVSSYSA-N 1 0 298.318 1.386 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[NH+](CC)CC ZINC000288709209 197149885 /nfs/dbraw/zinc/14/98/85/197149885.db2.gz XKVSTCNIMZJKGU-UHFFFAOYSA-N 1 0 269.349 1.873 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[NH2+]C2)c1 ZINC000273060887 533008487 /nfs/dbraw/zinc/00/84/87/533008487.db2.gz SRCPHPDLYOKHDZ-SECBINFHSA-N 1 0 295.364 1.656 20 5 CDBDRO COCCOCCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293586000 285089493 /nfs/dbraw/zinc/08/94/93/285089493.db2.gz FEOMDVSYIPFHPR-NSHDSACASA-N 1 0 297.355 1.881 20 5 CDBDRO C[NH+](C)C/C=C\C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000492114139 253158249 /nfs/dbraw/zinc/15/82/49/253158249.db2.gz ZAFRWUBOXFQRKZ-ARJAWSKDSA-N 1 0 289.335 1.597 20 5 CDBDRO C[NH+](C)C/C=C/C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000492267207 253186874 /nfs/dbraw/zinc/18/68/74/253186874.db2.gz DGNRDAWUUIEMQC-QPJJXVBHSA-N 1 0 289.335 1.597 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000059402610 285110473 /nfs/dbraw/zinc/11/04/73/285110473.db2.gz ODXJLHSWWGADBE-UHFFFAOYSA-N 1 0 292.335 1.976 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492799169 253297151 /nfs/dbraw/zinc/29/71/51/253297151.db2.gz MBCFMFRBSUFCQE-BXKUYDPTSA-N 1 0 295.314 1.813 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493141646 253381091 /nfs/dbraw/zinc/38/10/91/253381091.db2.gz RWDFKIMDPKDRSK-AIZLHNLISA-N 1 0 281.287 1.599 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000288533820 197105731 /nfs/dbraw/zinc/10/57/31/197105731.db2.gz DSMJCKFVGUDFMF-BXUZGUMPSA-N 1 0 291.351 1.642 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000320759947 390508889 /nfs/dbraw/zinc/50/88/89/390508889.db2.gz XBZWVUKKJXOCGG-UWVGGRQHSA-N 1 0 265.313 1.379 20 5 CDBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CCN1CCCC1=O ZINC000282512955 195632064 /nfs/dbraw/zinc/63/20/64/195632064.db2.gz SFUPZVMQIGKJCZ-UHFFFAOYSA-N 1 0 291.351 1.692 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261576774 390474780 /nfs/dbraw/zinc/47/47/80/390474780.db2.gz CFSQXEHCYSSWSU-RYUDHWBXSA-N 1 0 261.325 1.949 20 5 CDBDRO O=C(NCC[C@H]1CC[NH2+]C1)NCc1cccc([N+](=O)[O-])c1 ZINC000515809097 390959542 /nfs/dbraw/zinc/95/95/42/390959542.db2.gz CHANWQDUNJSSRH-LLVKDONJSA-N 1 0 292.339 1.394 20 5 CDBDRO CC(C)Oc1nc(NCCCC[NH3+])ccc1[N+](=O)[O-] ZINC000574168865 391094688 /nfs/dbraw/zinc/09/46/88/391094688.db2.gz LMITXHXUEUAENV-UHFFFAOYSA-N 1 0 268.317 1.350 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000053712698 391154503 /nfs/dbraw/zinc/15/45/03/391154503.db2.gz ZCKNSAZUXWGFSZ-AOOOYVTPSA-N 1 0 250.302 1.485 20 5 CDBDRO CC(C)=CCC[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000517556299 391164987 /nfs/dbraw/zinc/16/49/87/391164987.db2.gz IYZSKCCDFROJJP-OCCSQVGLSA-N 1 0 296.371 1.877 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417767968 533576033 /nfs/dbraw/zinc/57/60/33/533576033.db2.gz RFPWKRQKNOQOQC-JTQLQIEISA-N 1 0 280.328 1.174 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH3+])c1 ZINC000237189445 391249099 /nfs/dbraw/zinc/24/90/99/391249099.db2.gz BVXZGMRGFDAAQM-UHFFFAOYSA-N 1 0 267.285 1.071 20 5 CDBDRO O=C1C[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CN1 ZINC000567178692 391468662 /nfs/dbraw/zinc/46/86/62/391468662.db2.gz NFCINNSDPSRNBV-SKDRFNHKSA-N 1 0 275.308 1.308 20 5 CDBDRO O=C(NCCC[NH2+]C1CC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415627566 391469736 /nfs/dbraw/zinc/46/97/36/391469736.db2.gz BOQOKCYHMMHJMX-UHFFFAOYSA-N 1 0 296.302 1.998 20 5 CDBDRO [NH3+]C[C@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000415633357 391470209 /nfs/dbraw/zinc/47/02/09/391470209.db2.gz QQGGXTQEMQFAFX-NSHDSACASA-N 1 0 282.275 1.593 20 5 CDBDRO Cc1c(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000129221588 391639971 /nfs/dbraw/zinc/63/99/71/391639971.db2.gz VEJWVAKLKDLDOG-GXSJLCMTSA-N 1 0 277.324 1.855 20 5 CDBDRO CC(C)(O)CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459515171 392454439 /nfs/dbraw/zinc/45/44/39/392454439.db2.gz TYYAZEOURJAEBU-UHFFFAOYSA-N 1 0 294.355 1.273 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000549641517 392597739 /nfs/dbraw/zinc/59/77/39/392597739.db2.gz POBYSFNDBZSJOE-JTQLQIEISA-N 1 0 250.302 1.520 20 5 CDBDRO Cc1nc(N[C@@H](C[NH3+])CC(C)C)ncc1[N+](=O)[O-] ZINC000420179888 392900017 /nfs/dbraw/zinc/90/00/17/392900017.db2.gz CMFRTVXCIKCZLP-SECBINFHSA-N 1 0 253.306 1.479 20 5 CDBDRO C[NH2+]C[C@@H](C)CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000420212202 392905437 /nfs/dbraw/zinc/90/54/37/392905437.db2.gz TWSIFMFALZPIGD-SECBINFHSA-N 1 0 292.339 1.747 20 5 CDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000524721026 392919649 /nfs/dbraw/zinc/91/96/49/392919649.db2.gz ZIMBJJHYLYPATA-SNVBAGLBSA-N 1 0 280.328 1.005 20 5 CDBDRO Cc1cc(N[C@@H](C)C[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420237791 392911495 /nfs/dbraw/zinc/91/14/95/392911495.db2.gz CMRAUFQBPSVJLP-JTQLQIEISA-N 1 0 287.323 1.541 20 5 CDBDRO NC(=O)CC1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000421346682 392930659 /nfs/dbraw/zinc/93/06/59/392930659.db2.gz ADLKUTVEMUBLQQ-HWKANZROSA-N 1 0 289.335 1.853 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000194855833 392973366 /nfs/dbraw/zinc/97/33/66/392973366.db2.gz HUKKCBDBXWMMFC-BDAKNGLRSA-N 1 0 283.353 1.539 20 5 CDBDRO COc1cccc(C(=O)N[C@H](C)CCCC[NH3+])c1[N+](=O)[O-] ZINC000423653141 392966023 /nfs/dbraw/zinc/96/60/23/392966023.db2.gz YJZJUMHQJMSSAR-SNVBAGLBSA-N 1 0 295.339 1.851 20 5 CDBDRO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1O ZINC000430197950 393091195 /nfs/dbraw/zinc/09/11/95/393091195.db2.gz XEPYNUHOLTUSLR-MFKMUULPSA-N 1 0 280.324 1.806 20 5 CDBDRO C[NH2+][C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430633728 393103316 /nfs/dbraw/zinc/10/33/16/393103316.db2.gz ANLYCXCFRVISNM-NSHDSACASA-N 1 0 292.339 1.217 20 5 CDBDRO [NH3+]C[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430937051 393105177 /nfs/dbraw/zinc/10/51/77/393105177.db2.gz YUPZWIKCSSHAIF-VIFPVBQESA-N 1 0 253.277 1.515 20 5 CDBDRO Nc1ccc(C(=O)N2CCC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000282066311 393169823 /nfs/dbraw/zinc/16/98/23/393169823.db2.gz WKDRQHHJFBFXFB-SNVBAGLBSA-N 1 0 292.339 1.378 20 5 CDBDRO CC(C)NC(=O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449058753 393129316 /nfs/dbraw/zinc/12/93/16/393129316.db2.gz LTIKFYCWCRGGNY-NSHDSACASA-N 1 0 279.340 1.640 20 5 CDBDRO CCn1cnnc1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449081295 393129459 /nfs/dbraw/zinc/12/94/59/393129459.db2.gz DFRLQGILACUEOA-NSHDSACASA-N 1 0 289.339 1.927 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449667577 393137455 /nfs/dbraw/zinc/13/74/55/393137455.db2.gz VELOGKLSKOLSTF-LLVKDONJSA-N 1 0 299.277 1.630 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc([N+](=O)[O-])c1 ZINC000449667555 393137619 /nfs/dbraw/zinc/13/76/19/393137619.db2.gz VDNSVFWXUCOZRJ-LLVKDONJSA-N 1 0 299.277 1.630 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000449748543 393141513 /nfs/dbraw/zinc/14/15/13/393141513.db2.gz BUQWLDCJRLERAN-JTQLQIEISA-N 1 0 278.312 1.047 20 5 CDBDRO C[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000493871127 393223282 /nfs/dbraw/zinc/22/32/82/393223282.db2.gz HBYMQOVKWRLQLB-ZJUUUORDSA-N 1 0 280.328 1.106 20 5 CDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCCO1 ZINC000090522585 393308681 /nfs/dbraw/zinc/30/86/81/393308681.db2.gz IOPRIKBJDCOISP-CYBMUJFWSA-N 1 0 295.339 1.257 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000135052238 139884026 /nfs/dbraw/zinc/88/40/26/139884026.db2.gz SVPSIGDCSJBMSM-JTQLQIEISA-N 1 0 265.313 1.649 20 5 CDBDRO CO[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000169181126 139936816 /nfs/dbraw/zinc/93/68/16/139936816.db2.gz TURLABUEUOQPLW-KBPBESRZSA-N 1 0 279.340 1.533 20 5 CDBDRO CCOc1ccc(C(=O)NCC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000178653861 140006599 /nfs/dbraw/zinc/00/65/99/140006599.db2.gz ONEWAURROWHYPX-SECBINFHSA-N 1 0 281.312 1.461 20 5 CDBDRO COc1cc(N2CC[C@H]([C@@H](C)[NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000227861083 140188638 /nfs/dbraw/zinc/18/86/38/140188638.db2.gz PTLVQIURJDJWOK-BDAKNGLRSA-N 1 0 283.303 1.916 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000229582380 140202055 /nfs/dbraw/zinc/20/20/55/140202055.db2.gz GIKWHSQYVFIDMX-MNOVXSKESA-N 1 0 277.324 1.774 20 5 CDBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000249680476 140296828 /nfs/dbraw/zinc/29/68/28/140296828.db2.gz BFKMNSWWOUTMGY-WVWOOGAGSA-N 1 0 296.371 1.567 20 5 CDBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCCCC1 ZINC000261574914 140353348 /nfs/dbraw/zinc/35/33/48/140353348.db2.gz BIFJIVVXIXKECB-UHFFFAOYSA-N 1 0 266.301 1.314 20 5 CDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261641571 140368004 /nfs/dbraw/zinc/36/80/04/140368004.db2.gz IRKUAWXJHUKQJF-CQSZACIVSA-N 1 0 293.298 1.560 20 5 CDBDRO C[NH2+][C@H](C)Cc1noc(-c2ccc([N+](=O)[O-])n2C)n1 ZINC000261679691 140373925 /nfs/dbraw/zinc/37/39/25/140373925.db2.gz GSWZSBPFBRLVSK-SSDOTTSWSA-N 1 0 265.273 1.134 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000261697553 140377031 /nfs/dbraw/zinc/37/70/31/140377031.db2.gz CMDMVMMGUMMSHT-UWVGGRQHSA-N 1 0 265.313 1.818 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000261829693 140395219 /nfs/dbraw/zinc/39/52/19/140395219.db2.gz PXMVWZKZJDIUCG-ZDUSSCGKSA-N 1 0 267.304 1.905 20 5 CDBDRO C[C@]1(C[NH3+])CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000261829690 140395330 /nfs/dbraw/zinc/39/53/30/140395330.db2.gz PXMVWZKZJDIUCG-CYBMUJFWSA-N 1 0 267.304 1.905 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000168637289 147757540 /nfs/dbraw/zinc/75/75/40/147757540.db2.gz HVPHWWCBXRHOTA-UHFFFAOYSA-N 1 0 271.704 1.540 20 5 CDBDRO CCO[C@H]1C[C@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000176260378 148032987 /nfs/dbraw/zinc/03/29/87/148032987.db2.gz LZCPUQRYSKYVIV-RYUDHWBXSA-N 1 0 296.371 1.927 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]1CCO ZINC000310636918 149196381 /nfs/dbraw/zinc/19/63/81/149196381.db2.gz RDZGJZLPNUYOMR-LBPRGKRZSA-N 1 0 250.298 1.942 20 5 CDBDRO Cc1cc(C(=O)N[C@@H](C)CC[NH3+])cc([N+](=O)[O-])c1 ZINC000310766325 149200727 /nfs/dbraw/zinc/20/07/27/149200727.db2.gz NWSJBFHKRQIXLT-VIFPVBQESA-N 1 0 251.286 1.370 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)c(F)c1 ZINC000313584296 149245155 /nfs/dbraw/zinc/24/51/55/149245155.db2.gz YCSKJDJJTWLGJF-WFBYXXMGSA-N 1 0 280.299 1.937 20 5 CDBDRO COc1cc(C(=O)N2CC([NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000295455807 286192758 /nfs/dbraw/zinc/19/27/58/286192758.db2.gz HKUGTMAAZVJGGS-UHFFFAOYSA-N 1 0 297.286 1.129 20 5 CDBDRO Cn1ccnc1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000343294803 152107356 /nfs/dbraw/zinc/10/73/56/152107356.db2.gz JVPHXCFKIFXKAP-UHFFFAOYSA-N 1 0 278.243 1.397 20 5 CDBDRO CC[N@H+](C[C@H](C)O)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000352221443 155034811 /nfs/dbraw/zinc/03/48/11/155034811.db2.gz MCNZJIZYAOAKQF-WDEREUQCSA-N 1 0 295.339 1.625 20 5 CDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000353996769 156213205 /nfs/dbraw/zinc/21/32/05/156213205.db2.gz IQJUVKKMPYDQTL-SNVBAGLBSA-N 1 0 295.314 1.900 20 5 CDBDRO CC[N@@H+](CC(N)=O)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000355356661 157002350 /nfs/dbraw/zinc/00/23/50/157002350.db2.gz YUVPKSLETMDKGD-XFFZJAGNSA-N 1 0 277.324 1.805 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359288595 158200083 /nfs/dbraw/zinc/20/00/83/158200083.db2.gz ZSNWOWMFPVXEOR-STQMWFEESA-N 1 0 291.351 1.645 20 5 CDBDRO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000361864775 159003320 /nfs/dbraw/zinc/00/33/20/159003320.db2.gz FDIKVKGRJUEPFW-UHFFFAOYSA-N 1 0 283.353 1.823 20 5 CDBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CC[C@@H](C)C1 ZINC000362158602 159087866 /nfs/dbraw/zinc/08/78/66/159087866.db2.gz SODYEMYJFSKNDD-OLZOCXBDSA-N 1 0 296.371 1.928 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000372961874 160161378 /nfs/dbraw/zinc/16/13/78/160161378.db2.gz UZKNXGWAMCLDAP-AAEUAGOBSA-N 1 0 289.335 1.348 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000346234946 298497974 /nfs/dbraw/zinc/49/79/74/298497974.db2.gz WVQAMMXJQICMCK-SNVBAGLBSA-N 1 0 297.380 1.753 20 5 CDBDRO C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000036976684 287066630 /nfs/dbraw/zinc/06/66/30/287066630.db2.gz RLQVMCSAQPQMQI-MFKMUULPSA-N 1 0 277.324 1.914 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C)CC1 ZINC000020939329 171281556 /nfs/dbraw/zinc/28/15/56/171281556.db2.gz MXSBQLYMMHKZGP-UHFFFAOYSA-N 1 0 265.313 1.351 20 5 CDBDRO CN1CCO[C@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000284869537 196146937 /nfs/dbraw/zinc/14/69/37/196146937.db2.gz SKRIDBIUIAFQTD-CABCVRRESA-N 1 0 291.351 1.500 20 5 CDBDRO O=C(NCCC[NH2+]C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000036263884 172557626 /nfs/dbraw/zinc/55/76/26/172557626.db2.gz YVDBCOZUDPZBKR-UHFFFAOYSA-N 1 0 278.312 1.858 20 5 CDBDRO C[NH2+]CCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000036280037 172570678 /nfs/dbraw/zinc/57/06/78/172570678.db2.gz HRLFAZJXSDKGOP-UHFFFAOYSA-N 1 0 271.704 1.588 20 5 CDBDRO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285455929 196290037 /nfs/dbraw/zinc/29/00/37/196290037.db2.gz ZRNWZFFPZRYDIV-ZJUUUORDSA-N 1 0 294.355 1.694 20 5 CDBDRO C[NH+]1CCC(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000038936912 174159832 /nfs/dbraw/zinc/15/98/32/174159832.db2.gz RWBSQPFBTVFYBO-UHFFFAOYSA-N 1 0 291.351 1.595 20 5 CDBDRO Cc1cccc(C(=O)NC[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000044501470 175185828 /nfs/dbraw/zinc/18/58/28/175185828.db2.gz CYCDPCYCOICZAO-LLVKDONJSA-N 1 0 277.324 1.633 20 5 CDBDRO O=C(NCC1CC[NH2+]CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000044503733 175186743 /nfs/dbraw/zinc/18/67/43/175186743.db2.gz UIVSKKQMUVQDQI-UHFFFAOYSA-N 1 0 297.742 1.978 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCC1CC[NH2+]CC1 ZINC000044503772 175186779 /nfs/dbraw/zinc/18/67/79/175186779.db2.gz AHFGBWIBGHITNK-UHFFFAOYSA-N 1 0 277.324 1.253 20 5 CDBDRO C[C@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000049558606 175487823 /nfs/dbraw/zinc/48/78/23/175487823.db2.gz FBISJEPVTMYJCN-MRVPVSSYSA-N 1 0 279.300 1.883 20 5 CDBDRO COC[C@@H](O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000071269953 176103404 /nfs/dbraw/zinc/10/34/04/176103404.db2.gz YQBMNTJCYIVNLL-NSHDSACASA-N 1 0 254.286 1.000 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(Cl)cn2)c1 ZINC000886026144 686806167 /nfs/dbraw/zinc/80/61/67/686806167.db2.gz QJVMMLBCVJNLSX-UHFFFAOYSA-N 1 0 281.703 1.630 20 5 CDBDRO [NH3+]C[C@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417934683 227228175 /nfs/dbraw/zinc/22/81/75/227228175.db2.gz FVLFLDMGDSMQAJ-GFCCVEGCSA-N 1 0 292.339 1.128 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000313693116 261268361 /nfs/dbraw/zinc/26/83/61/261268361.db2.gz ABDSTLBOISGQBR-WFXONIBUSA-N 1 0 289.335 1.865 20 5 CDBDRO C[C@]1(C[NH3+])CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000313942095 261544728 /nfs/dbraw/zinc/54/47/28/261544728.db2.gz OPCPOJIGTKFENQ-LLYBFZRZSA-N 1 0 289.335 1.805 20 5 CDBDRO C[S@@](=O)C1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000393704001 270338379 /nfs/dbraw/zinc/33/83/79/270338379.db2.gz LZWQRMDRNKQKSX-LJQANCHMSA-N 1 0 282.365 1.986 20 5 CDBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000514795737 270410439 /nfs/dbraw/zinc/41/04/39/270410439.db2.gz CXCBOLVMPRDZGU-STQMWFEESA-N 1 0 280.324 1.723 20 5 CDBDRO CC[C@@H](CO)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000266197085 273719152 /nfs/dbraw/zinc/71/91/52/273719152.db2.gz IBYRIJDZBTVSMZ-LBPRGKRZSA-N 1 0 279.340 1.488 20 5 CDBDRO C[NH2+]C[C@@H](C)CNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000420185485 273963576 /nfs/dbraw/zinc/96/35/76/273963576.db2.gz BUNBCARGZFLARJ-SECBINFHSA-N 1 0 295.339 1.957 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([NH3+])CC2)c1 ZINC000134354845 274003929 /nfs/dbraw/zinc/00/39/29/274003929.db2.gz YCLMVNLCPJLFHY-UHFFFAOYSA-N 1 0 279.296 1.309 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000338721975 274118271 /nfs/dbraw/zinc/11/82/71/274118271.db2.gz BROMGEMZXRQXOJ-UONOGXRCSA-N 1 0 293.323 1.123 20 5 CDBDRO C[C@@H](CC(N)=O)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000343097390 274207860 /nfs/dbraw/zinc/20/78/60/274207860.db2.gz PQZQFJXNMIUXAH-GXFFZTMASA-N 1 0 291.351 1.769 20 5 CDBDRO CC1(C)C[C@H]([NH2+]CCO)c2cc([N+](=O)[O-])ccc21 ZINC000279089962 275867715 /nfs/dbraw/zinc/86/77/15/275867715.db2.gz NHDJODHSXQUBNS-LBPRGKRZSA-N 1 0 250.298 1.899 20 5 CDBDRO CC[C@@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000089306548 276406601 /nfs/dbraw/zinc/40/66/01/276406601.db2.gz ZTPWFCUPKLRINW-ZDUSSCGKSA-N 1 0 279.340 1.594 20 5 CDBDRO C[NH2+]CCCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000435879767 277022377 /nfs/dbraw/zinc/02/23/77/277022377.db2.gz LTWSTKILSAYIIS-UHFFFAOYSA-N 1 0 278.356 1.326 20 5 CDBDRO C[NH2+][C@@H]1CCCN(c2nc(C)ccc2[N+](=O)[O-])C1 ZINC000162857393 277295207 /nfs/dbraw/zinc/29/52/07/277295207.db2.gz IVCNPNIIZHMUQI-SNVBAGLBSA-N 1 0 250.302 1.486 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418512861 278229852 /nfs/dbraw/zinc/22/98/52/278229852.db2.gz AEHWEVRNZQGLJN-JTQLQIEISA-N 1 0 292.339 1.400 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000235281400 278961365 /nfs/dbraw/zinc/96/13/65/278961365.db2.gz LHEBVVCPWNXODC-HTQZYQBOSA-N 1 0 270.720 1.817 20 5 CDBDRO C[NH2+]CCN(C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000216701919 280088142 /nfs/dbraw/zinc/08/81/42/280088142.db2.gz CBDQHAHFLZABDO-FPLPWBNLSA-N 1 0 263.297 1.286 20 5 CDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[NH2+]C1 ZINC000217463053 280088865 /nfs/dbraw/zinc/08/88/65/280088865.db2.gz HODLDQJFBRIALP-FWWRYZNZSA-N 1 0 289.335 1.724 20 5 CDBDRO CN(CC[NH+](C)C)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000530618124 281560067 /nfs/dbraw/zinc/56/00/67/281560067.db2.gz HOQMSYGLVKZXFF-UHFFFAOYSA-N 1 0 291.311 1.241 20 5 CDBDRO CC[N@H+](C)CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255848187 289387852 /nfs/dbraw/zinc/38/78/52/289387852.db2.gz VUHIGJNVCNHOTC-FPLPWBNLSA-N 1 0 277.324 1.676 20 5 CDBDRO Cc1cccc(C(=O)N2CCCO[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000313346422 289430697 /nfs/dbraw/zinc/43/06/97/289430697.db2.gz RQGQSYSTBWOOKB-LLVKDONJSA-N 1 0 293.323 1.093 20 5 CDBDRO Cc1cc(NC(=O)N(C)[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000562755304 293191404 /nfs/dbraw/zinc/19/14/04/293191404.db2.gz CNFAMVQMXJPPRK-LLVKDONJSA-N 1 0 278.312 1.729 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000563146020 293290144 /nfs/dbraw/zinc/29/01/44/293290144.db2.gz ILVYAEKGIHVBNO-JTQLQIEISA-N 1 0 292.339 1.249 20 5 CDBDRO CC(C)Oc1nc(NCC(C)(C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000565550877 293636464 /nfs/dbraw/zinc/63/64/64/293636464.db2.gz ZZHZZUMTGBGRPS-UHFFFAOYSA-N 1 0 296.371 1.951 20 5 CDBDRO Cc1c(CC(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000567245607 293743363 /nfs/dbraw/zinc/74/33/63/293743363.db2.gz RWVWLFUQRIEKHA-GXFFZTMASA-N 1 0 291.351 1.784 20 5 CDBDRO COc1cccc(C(=O)NCC2([NH3+])CCC2)c1[N+](=O)[O-] ZINC000570960363 294342910 /nfs/dbraw/zinc/34/29/10/294342910.db2.gz PFSMEQGHJRXEJU-UHFFFAOYSA-N 1 0 279.296 1.215 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000408364158 303020599 /nfs/dbraw/zinc/02/05/99/303020599.db2.gz HTFFTRCNDBBWPO-QWRGUYRKSA-N 1 0 279.344 1.249 20 5 CDBDRO CN(C[C@@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000576148991 317085681 /nfs/dbraw/zinc/08/56/81/317085681.db2.gz CZZYKDDSSXFNFC-HNNXBMFYSA-N 1 0 293.367 1.182 20 5 CDBDRO Cc1cnc(OCc2nc(C(C)(C)[NH3+])no2)c([N+](=O)[O-])c1 ZINC000576700772 317189479 /nfs/dbraw/zinc/18/94/79/317189479.db2.gz NOXHAJMUKSCABT-UHFFFAOYSA-N 1 0 293.283 1.454 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](C)[NH3+])c1 ZINC000381348833 323625428 /nfs/dbraw/zinc/62/54/28/323625428.db2.gz HLLGZNUYQXESIV-RKDXNWHRSA-N 1 0 251.286 1.369 20 5 CDBDRO COC[C@@](C)(O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000382579789 323648828 /nfs/dbraw/zinc/64/88/28/323648828.db2.gz XGBOCNNWLOYVFO-MFKMUULPSA-N 1 0 268.313 1.643 20 5 CDBDRO C[C@H](O)CCC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000581608150 324792830 /nfs/dbraw/zinc/79/28/30/324792830.db2.gz NVWLVTHPLRAELJ-WCQYABFASA-N 1 0 298.339 1.085 20 5 CDBDRO CC[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1C[C@H](C)O ZINC000264370085 523469463 /nfs/dbraw/zinc/46/94/63/523469463.db2.gz WQTZKFIWHRWIFD-NWDGAFQWSA-N 1 0 294.355 1.271 20 5 CDBDRO COc1ccc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000234917145 523673545 /nfs/dbraw/zinc/67/35/45/523673545.db2.gz QTDQGHMDLKUBND-WCBMZHEXSA-N 1 0 279.296 1.023 20 5 CDBDRO Cc1ccc(C[NH2+]CCNC(=O)C(C)C)cc1[N+](=O)[O-] ZINC000035009723 524577541 /nfs/dbraw/zinc/57/75/41/524577541.db2.gz UIKJHDOTIBIZRH-UHFFFAOYSA-N 1 0 279.340 1.765 20 5 CDBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000337295330 524587219 /nfs/dbraw/zinc/58/72/19/524587219.db2.gz AIVJHYFDDISTLA-GXFFZTMASA-N 1 0 293.323 1.236 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2CC[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC000188412421 524934421 /nfs/dbraw/zinc/93/44/21/524934421.db2.gz BAQSIOMHEBRXAZ-SECBINFHSA-N 1 0 281.287 1.476 20 5 CDBDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](CO)O1)c1cccc([N+](=O)[O-])c1 ZINC000340411039 525395236 /nfs/dbraw/zinc/39/52/36/525395236.db2.gz CBASWHAWTSCVOH-BPNCWPANSA-N 1 0 280.324 1.785 20 5 CDBDRO CC[NH2+]CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417763398 528315322 /nfs/dbraw/zinc/31/53/22/528315322.db2.gz KGOWGXJQOPVDBO-UHFFFAOYSA-N 1 0 280.328 1.046 20 5 CDBDRO C[NH2+][C@@H](C)Cc1noc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000261669088 536346580 /nfs/dbraw/zinc/34/65/80/536346580.db2.gz GBXDVSKGMPYBBJ-QMMMGPOBSA-N 1 0 262.269 1.795 20 5 CDBDRO C[C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[NH+](C)C ZINC000756988341 577018784 /nfs/dbraw/zinc/01/87/84/577018784.db2.gz FJHOUFBFPVEYKG-QMMMGPOBSA-N 1 0 285.731 1.815 20 5 CDBDRO Cc1nn(C[N@H+]2C[C@H](C)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000751930069 577075468 /nfs/dbraw/zinc/07/54/68/577075468.db2.gz SUCSJMYLRRMWBX-DTORHVGOSA-N 1 0 252.318 1.953 20 5 CDBDRO Cc1cc(F)cc(C(=O)NC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000758413498 577106733 /nfs/dbraw/zinc/10/67/33/577106733.db2.gz ZSWSVIWPCHQVCM-VIFPVBQESA-N 1 0 283.303 1.722 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000892821726 617782529 /nfs/dbraw/zinc/78/25/29/617782529.db2.gz FCGJGFXBARMBBV-VHSXEESVSA-N 1 0 267.333 1.613 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1CCO[C@@H]2COCC[C@@H]21 ZINC000933965718 617823721 /nfs/dbraw/zinc/82/37/21/617823721.db2.gz WRZXPNIYLWVOSC-UONOGXRCSA-N 1 0 278.308 1.585 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H]2CO)cc1 ZINC000934015954 617853244 /nfs/dbraw/zinc/85/32/44/617853244.db2.gz QIQMVZVGJZRNJM-GFCCVEGCSA-N 1 0 266.297 1.430 20 5 CDBDRO CC[N@@H+]1CCN(c2ccc3nonc3c2[N+](=O)[O-])C[C@H]1C ZINC000892972382 618002164 /nfs/dbraw/zinc/00/21/64/618002164.db2.gz XXXSXDSRLGBPLE-SECBINFHSA-N 1 0 291.311 1.661 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CCC(CCC[NH+](C)C)CC1 ZINC000893062932 618114957 /nfs/dbraw/zinc/11/49/57/618114957.db2.gz XBQPUHOPPBRIGF-UHFFFAOYSA-N 1 0 295.387 1.887 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000893874799 618122214 /nfs/dbraw/zinc/12/22/14/618122214.db2.gz ZYVOXKOWCSVYRM-LLVKDONJSA-N 1 0 295.314 1.866 20 5 CDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000893941178 618204715 /nfs/dbraw/zinc/20/47/15/618204715.db2.gz RNICULWTRHKXQU-ZANVPECISA-N 1 0 265.288 1.874 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(O)(C[NH+](C)C)CC1 ZINC000894954041 619163355 /nfs/dbraw/zinc/16/33/55/619163355.db2.gz KCDBYBFJWULEPJ-UHFFFAOYSA-N 1 0 294.355 1.191 20 5 CDBDRO CCC[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[NH2+]1 ZINC000895057755 619241947 /nfs/dbraw/zinc/24/19/47/619241947.db2.gz HXCPTOPCRQILCN-JTQLQIEISA-N 1 0 250.302 1.568 20 5 CDBDRO C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895246761 619491774 /nfs/dbraw/zinc/49/17/74/619491774.db2.gz BZDWFNAXYQHHOD-IINYFYTJSA-N 1 0 296.346 1.780 20 5 CDBDRO COc1ccc(C[NH2+]CC[C@@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000898202639 621359058 /nfs/dbraw/zinc/35/90/58/621359058.db2.gz KIFYTXAJIACYPK-CYBMUJFWSA-N 1 0 280.324 1.854 20 5 CDBDRO Cc1cc(N2CC[C@H](C[NH3+])[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000900384742 622964578 /nfs/dbraw/zinc/96/45/78/622964578.db2.gz UIRLDHUJCGICPM-GHMZBOCLSA-N 1 0 264.329 1.719 20 5 CDBDRO CCC(CC)[C@H](CNCC[N+](=O)[O-])[NH+]1CCCC1 ZINC000905109267 626624041 /nfs/dbraw/zinc/62/40/41/626624041.db2.gz DWJAHXDCFZVWDZ-ZDUSSCGKSA-N 1 0 257.378 1.753 20 5 CDBDRO C[C@@H]1C[C@H](NCC[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000905152493 626637926 /nfs/dbraw/zinc/63/79/26/626637926.db2.gz DXTVJBZLIAKMGU-UKRRQHHQSA-N 1 0 277.368 1.906 20 5 CDBDRO CCOc1cc(CCC[NH2+]CC[N+](=O)[O-])ccc1OC ZINC000905128822 626644559 /nfs/dbraw/zinc/64/45/59/626644559.db2.gz VGIFTEVKROWGQH-UHFFFAOYSA-N 1 0 282.340 1.893 20 5 CDBDRO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]CC[N+](=O)[O-] ZINC000905182570 626665257 /nfs/dbraw/zinc/66/52/57/626665257.db2.gz XNVRSONJKDZZEI-SECBINFHSA-N 1 0 261.322 1.014 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC000905188745 626668057 /nfs/dbraw/zinc/66/80/57/626668057.db2.gz GEHNVOCLVNQIDI-UHFFFAOYSA-N 1 0 256.252 1.863 20 5 CDBDRO COCCOc1cc(C)ccc1CNCC[N+](=O)[O-] ZINC000905161387 626672752 /nfs/dbraw/zinc/67/27/52/626672752.db2.gz RYBOYWJTFFXVTB-UHFFFAOYSA-N 1 0 268.313 1.387 20 5 CDBDRO C[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[NH+](C)C ZINC000149143289 627198745 /nfs/dbraw/zinc/19/87/45/627198745.db2.gz LJJKZVXSMJUMQR-QMMMGPOBSA-N 1 0 285.731 1.928 20 5 CDBDRO C[C@H](CNc1nc2ccccn2c1[N+](=O)[O-])[NH+](C)C ZINC000914771041 631563561 /nfs/dbraw/zinc/56/35/61/631563561.db2.gz WRMAZPJAQSXGTI-SECBINFHSA-N 1 0 263.301 1.605 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](O)c2ccco2)cc1 ZINC000914795467 631573735 /nfs/dbraw/zinc/57/37/35/631573735.db2.gz MXJPXRAPQDYBJR-CHWSQXEVSA-N 1 0 292.291 1.544 20 5 CDBDRO CC[C@@H]([NH2+]C)c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000854159540 685984934 /nfs/dbraw/zinc/98/49/34/685984934.db2.gz FNHBKDMDYGALKH-ZCFIWIBFSA-N 1 0 252.230 1.908 20 5 CDBDRO Cc1c(C[NH2+]CCO[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000724911218 685295384 /nfs/dbraw/zinc/29/53/84/685295384.db2.gz PKFXNNPRJORDFM-CYBMUJFWSA-N 1 0 280.324 1.798 20 5 CDBDRO [NH3+][C@H](CC1CC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000083458660 685329858 /nfs/dbraw/zinc/32/98/58/685329858.db2.gz LTWTYNZQMDPKAE-GFCCVEGCSA-N 1 0 263.297 1.338 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886238526 685334425 /nfs/dbraw/zinc/33/44/25/685334425.db2.gz BMLBRPMPQICKRV-ZDUSSCGKSA-N 1 0 278.356 1.904 20 5 CDBDRO C[C@@H]1COC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000710893373 685338718 /nfs/dbraw/zinc/33/87/18/685338718.db2.gz PTATWYIHCYPRAE-PRHODGIISA-N 1 0 254.261 1.858 20 5 CDBDRO C[C@@H]([NH3+])c1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000881277723 685369664 /nfs/dbraw/zinc/36/96/64/685369664.db2.gz KCZMTHIDLMTKHP-RKDXNWHRSA-N 1 0 261.285 1.815 20 5 CDBDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886081364 685373842 /nfs/dbraw/zinc/37/38/42/685373842.db2.gz NFDVVALQDVHQMP-LLVKDONJSA-N 1 0 265.313 1.725 20 5 CDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC(O)C1 ZINC000801540896 685395348 /nfs/dbraw/zinc/39/53/48/685395348.db2.gz GQMQBJWLDHNNHI-UHFFFAOYSA-N 1 0 254.261 1.689 20 5 CDBDRO CC1(C)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000782577344 685449930 /nfs/dbraw/zinc/44/99/30/685449930.db2.gz AVQITMPKROCQMQ-KGLIPLIRSA-N 1 0 294.351 1.721 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(=O)n1CCCCCCC[NH3+] ZINC000818620304 685605354 /nfs/dbraw/zinc/60/53/54/685605354.db2.gz WDXLXEZHSRQHGY-UHFFFAOYSA-N 1 0 267.329 1.974 20 5 CDBDRO CC[NH+](CC)CCNc1ccnc(F)c1[N+](=O)[O-] ZINC000881732996 685622407 /nfs/dbraw/zinc/62/24/07/685622407.db2.gz QTSVQHVZYIAEIW-UHFFFAOYSA-N 1 0 256.281 1.883 20 5 CDBDRO CC1(C)C[NH2+]CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000088140130 684309153 /nfs/dbraw/zinc/30/91/53/684309153.db2.gz BDEIYTRZEPQZSN-UHFFFAOYSA-N 1 0 267.304 1.918 20 5 CDBDRO C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815572503 684376732 /nfs/dbraw/zinc/37/67/32/684376732.db2.gz FIQMDIZJOCFEST-WPRPVWTQSA-N 1 0 278.312 1.058 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](CF)C1 ZINC000880301102 684386421 /nfs/dbraw/zinc/38/64/21/684386421.db2.gz MDLHHBPXELGXEK-JTQLQIEISA-N 1 0 256.281 1.391 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000882479236 684452330 /nfs/dbraw/zinc/45/23/30/684452330.db2.gz QRCFNXFFFPHFSB-GFCCVEGCSA-N 1 0 263.297 1.419 20 5 CDBDRO CNC(=O)CCC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873027290 684565544 /nfs/dbraw/zinc/56/55/44/684565544.db2.gz OOVHVDHEVRRUMR-UHFFFAOYSA-N 1 0 279.340 1.827 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCCC[NH2+]2)n1 ZINC000162855185 684623350 /nfs/dbraw/zinc/62/33/50/684623350.db2.gz ZQYHMMHRAOYHAF-JTQLQIEISA-N 1 0 250.302 1.852 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(Cc3c(F)cc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000931277139 684689506 /nfs/dbraw/zinc/68/95/06/684689506.db2.gz JCOUJQDMIDZMBW-MSRIBSCDSA-N 1 0 297.305 1.865 20 5 CDBDRO CC[C@@H](CO)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929985567 684735470 /nfs/dbraw/zinc/73/54/70/684735470.db2.gz CAAGVDWZXOTJPA-MNOVXSKESA-N 1 0 280.328 1.247 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3COC3)CC2)cc1 ZINC000858550711 684847576 /nfs/dbraw/zinc/84/75/76/684847576.db2.gz RYLITZUUVDCQON-UHFFFAOYSA-N 1 0 291.351 1.800 20 5 CDBDRO C[C@H](O)CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843074217 684880771 /nfs/dbraw/zinc/88/07/71/684880771.db2.gz CQRKAYIEDLCLTE-GWCFXTLKSA-N 1 0 268.313 1.379 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000882959999 684904978 /nfs/dbraw/zinc/90/49/78/684904978.db2.gz WKXJXLUNMRIFIO-SNVBAGLBSA-N 1 0 250.302 1.683 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CC12CCC2 ZINC000872249764 684938650 /nfs/dbraw/zinc/93/86/50/684938650.db2.gz CHVBXKGIGOTCAY-FZMZJTMJSA-N 1 0 292.335 1.867 20 5 CDBDRO CC(C)C[C@@H](CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843060301 684950178 /nfs/dbraw/zinc/95/01/78/684950178.db2.gz TUVPGOHBLYGLTM-JSGCOSHPSA-N 1 0 282.340 1.625 20 5 CDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)C[C@H](C)[NH3+] ZINC000863566191 684950377 /nfs/dbraw/zinc/95/03/77/684950377.db2.gz DQZJYOJODNZMKN-VHSXEESVSA-N 1 0 280.328 1.201 20 5 CDBDRO COc1ccc(C(=O)N(C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000311867914 685009956 /nfs/dbraw/zinc/00/99/56/685009956.db2.gz YSTPUJYLAZNHLH-MRVPVSSYSA-N 1 0 267.285 1.023 20 5 CDBDRO Cc1nn(C)c(-c2nc([C@H]3CCC[NH2+]C3)no2)c1[N+](=O)[O-] ZINC000842672037 685015051 /nfs/dbraw/zinc/01/50/51/685015051.db2.gz ZXPKZIYDQHEAIX-QMMMGPOBSA-N 1 0 292.299 1.154 20 5 CDBDRO CCn1nncc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000841886013 685146137 /nfs/dbraw/zinc/14/61/37/685146137.db2.gz IAYSWLQAQQCSQL-UHFFFAOYSA-N 1 0 290.327 1.172 20 5 CDBDRO O=[N+]([O-])CC[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000930512887 685693385 /nfs/dbraw/zinc/69/33/85/685693385.db2.gz HVNMCUUMVADYKB-AWEZNQCLSA-N 1 0 262.309 1.733 20 5 CDBDRO COc1ccc(NC(=O)[C@]2(F)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000843485862 685764900 /nfs/dbraw/zinc/76/49/00/685764900.db2.gz OCMRIDNPMKLBQA-LBPRGKRZSA-N 1 0 283.259 1.244 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886815641 685818262 /nfs/dbraw/zinc/81/82/62/685818262.db2.gz HCLINDIKMUPYKQ-STQMWFEESA-N 1 0 294.355 1.601 20 5 CDBDRO COc1ccc(C[NH2+]C[C@H]2CCN2C)cc1[N+](=O)[O-] ZINC000712585372 685834719 /nfs/dbraw/zinc/83/47/19/685834719.db2.gz GEPKJHJBLMHYGR-LLVKDONJSA-N 1 0 265.313 1.397 20 5 CDBDRO CC[NH+](CC)[C@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000173467335 685848297 /nfs/dbraw/zinc/84/82/97/685848297.db2.gz DHKDVWJXIMZHEV-NSHDSACASA-N 1 0 267.333 1.165 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1COC[C@@H]1O ZINC000866420391 685888895 /nfs/dbraw/zinc/88/88/95/685888895.db2.gz PBPAASJLXDEBQU-KDDOJWQBSA-N 1 0 284.287 1.014 20 5 CDBDRO [NH3+][C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000129210851 685948160 /nfs/dbraw/zinc/94/81/60/685948160.db2.gz YIWIDDJEZMQFPH-NSHDSACASA-N 1 0 283.715 1.715 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2CCO)cc1 ZINC000794577324 685971231 /nfs/dbraw/zinc/97/12/31/685971231.db2.gz PIQXYGKESYMBMR-NILFDRSVSA-N 1 0 294.351 1.769 20 5 CDBDRO Cc1c(C[NH2+]CC(C)(C)OCCO)cccc1[N+](=O)[O-] ZINC000312765244 685996686 /nfs/dbraw/zinc/99/66/86/685996686.db2.gz CUGOFSPDFXSBTR-UHFFFAOYSA-N 1 0 282.340 1.780 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000857008055 686000997 /nfs/dbraw/zinc/00/09/97/686000997.db2.gz BDMDVLUFWFWZQQ-LKFCYVNXSA-N 1 0 290.323 1.130 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000845727671 686070406 /nfs/dbraw/zinc/07/04/06/686070406.db2.gz DTHZGLMCKNNOPO-OPRDCNLKSA-N 1 0 256.302 1.068 20 5 CDBDRO C[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]1CCCC1 ZINC000823125077 686165999 /nfs/dbraw/zinc/16/59/99/686165999.db2.gz VKBIOALNUJZPSR-LLVKDONJSA-N 1 0 271.361 1.422 20 5 CDBDRO [NH3+]C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000050246194 686345485 /nfs/dbraw/zinc/34/54/85/686345485.db2.gz IXYQJDADBYWSQD-MRVPVSSYSA-N 1 0 283.715 1.669 20 5 CDBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](C[NH3+])C1CC1 ZINC000159908657 686369144 /nfs/dbraw/zinc/36/91/44/686369144.db2.gz IUPJFGJQGSGKCE-LBPRGKRZSA-N 1 0 278.312 1.796 20 5 CDBDRO C[C@@H]([NH2+]CC1(CO)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788738219 686568638 /nfs/dbraw/zinc/56/86/38/686568638.db2.gz KPMQWMSJTWLKFF-SNVBAGLBSA-N 1 0 279.340 1.990 20 5 CDBDRO C[N@@H+]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776272495 686576016 /nfs/dbraw/zinc/57/60/16/686576016.db2.gz UNMCHVRATOLDFI-AWEZNQCLSA-N 1 0 279.340 1.266 20 5 CDBDRO CCOC(=O)CC[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178859428 686812659 /nfs/dbraw/zinc/81/26/59/686812659.db2.gz SNRZZHYPNFAMAD-ZDUSSCGKSA-N 1 0 296.323 1.513 20 5 CDBDRO Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000839594573 686839527 /nfs/dbraw/zinc/83/95/27/686839527.db2.gz VTFODIWIVZJFDJ-MCIONIFRSA-N 1 0 291.351 1.379 20 5 CDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000825178921 686849207 /nfs/dbraw/zinc/84/92/07/686849207.db2.gz HRYWPHONBNQROZ-LBPRGKRZSA-N 1 0 292.339 1.295 20 5 CDBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000111613456 686865481 /nfs/dbraw/zinc/86/54/81/686865481.db2.gz LARTWRMPKFEOIE-UHFFFAOYSA-N 1 0 269.688 1.294 20 5 CDBDRO CN1CC[C@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000712310459 686875849 /nfs/dbraw/zinc/87/58/49/686875849.db2.gz MGCJMLWYZZDGJQ-VIFPVBQESA-N 1 0 267.260 1.168 20 5 CDBDRO [NH3+]C[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923280918 687087869 /nfs/dbraw/zinc/08/78/69/687087869.db2.gz LZNMMPVAYPXUGG-RISCZKNCSA-N 1 0 279.340 1.299 20 5 CDBDRO [NH3+][C@H](CC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000829124643 687148691 /nfs/dbraw/zinc/14/86/91/687148691.db2.gz GXWRZICVVUKFSX-CYBMUJFWSA-N 1 0 293.323 1.217 20 5 CDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000827739925 687148939 /nfs/dbraw/zinc/14/89/39/687148939.db2.gz SZULRCQSSUQYHJ-WDEREUQCSA-N 1 0 271.361 1.373 20 5 CDBDRO Cc1ccc(C[N@H+]2C[C@H](C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000714028984 687227859 /nfs/dbraw/zinc/22/78/59/687227859.db2.gz INJALYPWZCIZGP-GXFFZTMASA-N 1 0 250.298 1.716 20 5 CDBDRO CC[NH2+]Cc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000843169395 687244948 /nfs/dbraw/zinc/24/49/48/687244948.db2.gz FALRWJFGXDLBMC-UHFFFAOYSA-N 1 0 263.257 1.337 20 5 CDBDRO COC(=O)[C@H]1CCN(Cc2cccnc2[N+](=O)[O-])[C@H]1C ZINC000886164538 687259470 /nfs/dbraw/zinc/25/94/70/687259470.db2.gz NBMRNXUXYFYHTA-ONGXEEELSA-N 1 0 279.296 1.373 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](CF)C1 ZINC000880301103 687329863 /nfs/dbraw/zinc/32/98/63/687329863.db2.gz MDLHHBPXELGXEK-SNVBAGLBSA-N 1 0 256.281 1.391 20 5 CDBDRO Cc1ccnc(NCCN2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC000721988316 687421510 /nfs/dbraw/zinc/42/15/10/687421510.db2.gz XSSVGDQOCONNMQ-UHFFFAOYSA-N 1 0 279.344 1.133 20 5 CDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc([N+](=O)[O-])ccc1Cl ZINC000252405169 687682083 /nfs/dbraw/zinc/68/20/83/687682083.db2.gz DPBYLSKGYWRUTM-JZYVYDRUSA-N 1 0 281.699 1.196 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(c2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000092027551 687687515 /nfs/dbraw/zinc/68/75/15/687687515.db2.gz XYLHHGPMSZKMSC-LLVKDONJSA-N 1 0 264.329 1.734 20 5 CDBDRO O=[N+]([O-])CC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000930299092 687802051 /nfs/dbraw/zinc/80/20/51/687802051.db2.gz BCCHSKAEWUPDGL-JHJVBQTASA-N 1 0 256.346 1.669 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)CN(C)C ZINC000866262560 687823824 /nfs/dbraw/zinc/82/38/24/687823824.db2.gz BUYNROVAJDFDOS-GXFFZTMASA-N 1 0 299.346 1.177 20 5 CDBDRO C[N@H+](CCNC(=O)CCC(C)(C)[N+](=O)[O-])C1CCCC1 ZINC000823129797 687851062 /nfs/dbraw/zinc/85/10/62/687851062.db2.gz SIHVRZBYIMOSHT-UHFFFAOYSA-N 1 0 285.388 1.813 20 5 CDBDRO Cc1cc(-c2noc(COCC[NH3+])n2)cc([N+](=O)[O-])c1 ZINC000843239345 687864205 /nfs/dbraw/zinc/86/42/05/687864205.db2.gz JYCBDHGIYMUGQX-UHFFFAOYSA-N 1 0 278.268 1.429 20 5 CDBDRO C[C@@H](NC(=O)N(C)C[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000861562387 687886364 /nfs/dbraw/zinc/88/63/64/687886364.db2.gz PUPSAIXMKYTIMS-VHSXEESVSA-N 1 0 280.328 1.644 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000139761295 687996325 /nfs/dbraw/zinc/99/63/25/687996325.db2.gz DQGKYUDOGYEGCA-GFCCVEGCSA-N 1 0 294.380 1.975 20 5 CDBDRO CC[N@H+](CCC(=O)NC)Cc1cccc([N+](=O)[O-])c1C ZINC000933867952 688011116 /nfs/dbraw/zinc/01/11/16/688011116.db2.gz VQSJNTWNTYTFDT-UHFFFAOYSA-N 1 0 279.340 1.861 20 5 CDBDRO C[C@@H]([NH2+]CCOCCF)c1ccc(N)c([N+](=O)[O-])c1 ZINC000853238891 688137694 /nfs/dbraw/zinc/13/76/94/688137694.db2.gz VBUJTAXEXRUQOA-SECBINFHSA-N 1 0 271.292 1.814 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC001170318295 1162336379 /nfs/dbraw/zinc/33/63/79/1162336379.db2.gz OFEGZXJDHMPDKK-ZUZCIYMTSA-N 1 0 294.351 1.895 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]CC2CC(O)C2)c([N+](=O)[O-])c1 ZINC001170307821 1162340176 /nfs/dbraw/zinc/34/01/76/1162340176.db2.gz IHYQLHDAJWWCMQ-XSRFYTQQSA-N 1 0 294.351 1.895 20 5 CDBDRO COc1cc(C)nc(N2CCC[C@H]([NH3+])[C@@H]2C)c1[N+](=O)[O-] ZINC001157742920 1162380257 /nfs/dbraw/zinc/38/02/57/1162380257.db2.gz SLHILMVZBQLIRA-UWVGGRQHSA-N 1 0 280.328 1.623 20 5 CDBDRO Cc1c(C)c(-n2cc3c(n2)CC[C@@H]([NH3+])C3)ncc1[N+](=O)[O-] ZINC001157990831 1162660065 /nfs/dbraw/zinc/66/00/65/1162660065.db2.gz YWBMJNZUSOKCQY-LLVKDONJSA-N 1 0 287.323 1.608 20 5 CDBDRO COC(=O)C1(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1 ZINC001168966989 1161996284 /nfs/dbraw/zinc/99/62/84/1161996284.db2.gz MOZWQDCOXCUFAD-GHMZBOCLSA-N 1 0 270.329 1.365 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cncn2CC2CC2)C1 ZINC001168998699 1161997053 /nfs/dbraw/zinc/99/70/53/1161997053.db2.gz QBAOVOOPVZGXKS-QWHCGFSZSA-N 1 0 278.356 1.828 20 5 CDBDRO CC(C)(C)c1ccc(N[C@@H]2C[NH2+]C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001170780521 1164118412 /nfs/dbraw/zinc/11/84/12/1164118412.db2.gz NGBSTKYCTNTDKN-GXFFZTMASA-N 1 0 293.367 1.885 20 5 CDBDRO COc1cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)ncc1[N+](=O)[O-] ZINC001155583231 1167241233 /nfs/dbraw/zinc/24/12/33/1167241233.db2.gz IFSODDGMDPTYBN-UTLUCORTSA-N 1 0 278.312 1.408 20 5 CDBDRO C[C@@H](OC(=O)[C@H]1C[C@@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC001574105930 1170881582 /nfs/dbraw/zinc/88/15/82/1170881582.db2.gz ZLKDDIDBKNBGCY-BBBLOLIVSA-N 1 0 264.281 1.936 20 5 CDBDRO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC001575070772 1171102033 /nfs/dbraw/zinc/10/20/33/1171102033.db2.gz DDHHTJSJJLRWFG-IEBDPFPHSA-N 1 0 263.297 1.304 20 5 CDBDRO CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC001577631131 1171706419 /nfs/dbraw/zinc/70/64/19/1171706419.db2.gz DBDHWXGXMGJMQF-JTQLQIEISA-N 1 0 257.334 1.032 20 5 CDBDRO CCN(CC[NH3+])C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001577715772 1171728302 /nfs/dbraw/zinc/72/83/02/1171728302.db2.gz WYINFFZJCPIHCN-UHFFFAOYSA-N 1 0 293.323 1.365 20 5 CDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C12CC(C1)C[NH2+]2 ZINC001578481170 1171929560 /nfs/dbraw/zinc/92/95/60/1171929560.db2.gz RLHMEINWZRFVKP-UHFFFAOYSA-N 1 0 289.335 1.348 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])n1 ZINC001579642379 1172233275 /nfs/dbraw/zinc/23/32/75/1172233275.db2.gz CQGZGKLBLSNXSX-NOZJJQNGSA-N 1 0 292.339 1.498 20 5 CDBDRO [NH3+][C@@H]1CCCCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC001580181823 1172370229 /nfs/dbraw/zinc/37/02/29/1172370229.db2.gz CBQOGDHOYPXPKZ-SNVBAGLBSA-N 1 0 294.311 1.039 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C)C2)c1 ZINC000136299279 1175828686 /nfs/dbraw/zinc/82/86/86/1175828686.db2.gz CCSFWAYLFCXBHR-JTQLQIEISA-N 1 0 279.296 1.497 20 5 CDBDRO Cc1nc(N2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000268494473 721885687 /nfs/dbraw/zinc/88/56/87/721885687.db2.gz ORMBUQCWJXRALT-LLVKDONJSA-N 1 0 264.329 1.829 20 5 CDBDRO COc1cnc(N2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001165038029 721890321 /nfs/dbraw/zinc/89/03/21/721890321.db2.gz FURXKPHSQVQZET-JTQLQIEISA-N 1 0 280.328 1.529 20 5 CDBDRO COc1ncnc(N2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001165041522 721945375 /nfs/dbraw/zinc/94/53/75/721945375.db2.gz BIKIPOJOCZZNMT-UHFFFAOYSA-N 1 0 295.343 1.171 20 5 CDBDRO O=[N+]([O-])c1ccc(CCO[C@@H]2CCC[NH2+]C2)cc1 ZINC000051787418 1166743857 /nfs/dbraw/zinc/74/38/57/1166743857.db2.gz PACGBTNOGWEHFF-CYBMUJFWSA-N 1 0 250.298 1.906 20 5 CDBDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173218765 912301216 /nfs/dbraw/zinc/30/12/16/912301216.db2.gz LZKPDLQVKAQDAO-SMDDNHRTSA-N 1 0 291.351 1.736 20 5 CDBDRO COC(=O)CC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173236159 912329856 /nfs/dbraw/zinc/32/98/56/912329856.db2.gz YKMFISHLQWXDAN-JTQLQIEISA-N 1 0 266.297 1.679 20 5 CDBDRO C[C@H]1COC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000699811842 914293664 /nfs/dbraw/zinc/29/36/64/914293664.db2.gz YTFVPHUOUKPCKO-GWCFXTLKSA-N 1 0 266.297 1.598 20 5 CDBDRO COc1cc([N+](=O)[O-])c(-n2ccc(CC[NH3+])n2)cc1F ZINC001167730843 899488333 /nfs/dbraw/zinc/48/83/33/899488333.db2.gz UDGXHPSXRLCAOX-UHFFFAOYSA-N 1 0 280.259 1.429 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(F)c(Cl)c1 ZINC001225918119 904461192 /nfs/dbraw/zinc/46/11/92/904461192.db2.gz XJTGOSZDSXYKKP-SECBINFHSA-N 1 0 290.742 1.842 20 5 CDBDRO O=[N+]([O-])c1ccnc(Cl)c1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168226815 907941954 /nfs/dbraw/zinc/94/19/54/907941954.db2.gz FWFNEWPONYZPBB-RQJHMYQMSA-N 1 0 274.683 1.755 20 5 CDBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000063167367 1169104149 /nfs/dbraw/zinc/10/41/49/1169104149.db2.gz YIKYQPHGYYQRER-ZDUSSCGKSA-N 1 0 277.324 1.809 20 5 CDBDRO C[NH+](C)CCC(=O)NCCNc1cccc(F)c1[N+](=O)[O-] ZINC001094089961 910323451 /nfs/dbraw/zinc/32/34/51/910323451.db2.gz QNRTVGWUNTYNAX-UHFFFAOYSA-N 1 0 298.318 1.214 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1COC[C@H]1O)CC2 ZINC001172896969 912034664 /nfs/dbraw/zinc/03/46/64/912034664.db2.gz VEWJAJUSXXDPGU-BPLDGKMQSA-N 1 0 292.335 1.192 20 5 CDBDRO O=C1C[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CO1 ZINC001172901416 912036140 /nfs/dbraw/zinc/03/61/40/912036140.db2.gz MXIONJVGDAEGOG-STQMWFEESA-N 1 0 290.319 1.747 20 5 CDBDRO Nc1nc(NC[C@@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000094261862 915727914 /nfs/dbraw/zinc/72/79/14/915727914.db2.gz FFOUUIKZMPDEBU-QMMMGPOBSA-N 1 0 251.290 1.126 20 5 CDBDRO CCC1(Nc2c(Cl)nccc2[N+](=O)[O-])C[NH2+]C1 ZINC001168579963 919266851 /nfs/dbraw/zinc/26/68/51/919266851.db2.gz DXQUNZQSWDUIMD-UHFFFAOYSA-N 1 0 256.693 1.807 20 5 CDBDRO CCCN(CC)c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001163601942 924020957 /nfs/dbraw/zinc/02/09/57/924020957.db2.gz JFAIIEJMNBLPLA-UHFFFAOYSA-N 1 0 294.359 1.031 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](Nc2nc(Cl)ncc2[N+](=O)[O-])C1 ZINC001154978207 926268561 /nfs/dbraw/zinc/26/85/61/926268561.db2.gz QOQLKXNKMLMSDT-BQBZGAKWSA-N 1 0 271.708 1.720 20 5 CDBDRO COc1nc(N[C@H]2CCC[C@@H]([NH3+])C2)nc(OC)c1[N+](=O)[O-] ZINC001154987939 926314458 /nfs/dbraw/zinc/31/44/58/926314458.db2.gz ZHLFGWAVZLBWDK-SFYZADRCSA-N 1 0 297.315 1.084 20 5 CDBDRO [NH3+]Cc1ccc2ncn(-c3c[n+]([O-])ccc3[N+](=O)[O-])c2c1 ZINC001168843737 927488516 /nfs/dbraw/zinc/48/85/16/927488516.db2.gz FUQNQORECOOGHS-UHFFFAOYSA-N 1 0 285.263 1.026 20 5 CDBDRO Cc1noc(C)c1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168976177 927561714 /nfs/dbraw/zinc/56/17/14/927561714.db2.gz ZCOCXSRTECMTNN-MNOVXSKESA-N 1 0 253.302 1.826 20 5 CDBDRO NC(=O)c1cccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168978301 927565778 /nfs/dbraw/zinc/56/57/78/927565778.db2.gz QZAKGRMLSGVTKT-AAEUAGOBSA-N 1 0 277.324 1.321 20 5 CDBDRO O=C1NCc2ccc(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)cc21 ZINC001168984664 927572128 /nfs/dbraw/zinc/57/21/28/927572128.db2.gz PQASMKBAIGBPAM-WCQYABFASA-N 1 0 289.335 1.465 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc3c2OCCO3)C1 ZINC001168971450 927594444 /nfs/dbraw/zinc/59/44/44/927594444.db2.gz LDASCROCCAIJSN-YPMHNXCESA-N 1 0 292.335 1.993 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CCN(CC3CCC3)C2)C1 ZINC001168992815 927601586 /nfs/dbraw/zinc/60/15/86/927601586.db2.gz KWTWEHFGBOVIDN-KKUMJFAQSA-N 1 0 281.400 1.896 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H]2CCN(c3cnccn3)C2)C1 ZINC001168996612 927602575 /nfs/dbraw/zinc/60/25/75/927602575.db2.gz WLGVYYYZNLNBTH-RWMBFGLXSA-N 1 0 291.355 1.090 20 5 CDBDRO CC(C)(C)C(=O)N1CC[C@@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168995713 927602952 /nfs/dbraw/zinc/60/29/52/927602952.db2.gz SQLNDHHHRFGILE-YNEHKIRRSA-N 1 0 297.399 1.668 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccnn2CCF)C1 ZINC001168997796 927602963 /nfs/dbraw/zinc/60/29/63/927602963.db2.gz FZYNPBWTBANJTK-MNOVXSKESA-N 1 0 270.308 1.388 20 5 CDBDRO [NH3+]CCCc1nccn1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007617 927610725 /nfs/dbraw/zinc/61/07/25/927610725.db2.gz OQTGUCKAELVGOV-QWRGUYRKSA-N 1 0 252.318 1.392 20 5 CDBDRO CC(=O)NC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169006358 927611271 /nfs/dbraw/zinc/61/12/71/927611271.db2.gz GUXBBJKKUKACAW-WCQYABFASA-N 1 0 269.345 1.032 20 5 CDBDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC[C@@H]1O ZINC001169010580 927618223 /nfs/dbraw/zinc/61/82/23/927618223.db2.gz DUTALOKRFXLJOE-XQHKEYJVSA-N 1 0 256.346 1.525 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@@H](O)CO3)CC2)C1 ZINC001169013800 927620514 /nfs/dbraw/zinc/62/05/14/927620514.db2.gz WMGIWGUITWFFFF-FRRDWIJNSA-N 1 0 284.356 1.048 20 5 CDBDRO CC(C)(C)NC(=O)CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987874 927624628 /nfs/dbraw/zinc/62/46/28/927624628.db2.gz LAKWAZCYEDWTKL-GHMZBOCLSA-N 1 0 271.361 1.326 20 5 CDBDRO COC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H]1C ZINC001169034550 927640720 /nfs/dbraw/zinc/64/07/20/927640720.db2.gz HRWAIPKSSFNWCW-UMSGYPCISA-N 1 0 284.356 1.705 20 5 CDBDRO CCOC(=O)N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169036846 927646322 /nfs/dbraw/zinc/64/63/22/927646322.db2.gz QEWIATIGSBOOIN-RYUDHWBXSA-N 1 0 285.344 1.206 20 5 CDBDRO CN1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1(C)C ZINC001169039151 927651039 /nfs/dbraw/zinc/65/10/39/927651039.db2.gz NSZTYQGBNQEKHV-NWDGAFQWSA-N 1 0 255.362 1.458 20 5 CDBDRO O=C(N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)C1CC1 ZINC001169055392 927671657 /nfs/dbraw/zinc/67/16/57/927671657.db2.gz PWOOVRCVUXPBDB-MRVWCRGKSA-N 1 0 295.383 1.422 20 5 CDBDRO CCN1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C(C)(C)C1 ZINC001169053584 927673431 /nfs/dbraw/zinc/67/34/31/927673431.db2.gz JBVXPIHHMMHRKA-STQMWFEESA-N 1 0 269.389 1.848 20 5 CDBDRO COCCCCN1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169057900 927675120 /nfs/dbraw/zinc/67/51/20/927675120.db2.gz YUSTVEHWSDJWFN-GJZGRUSLSA-N 1 0 299.415 1.476 20 5 CDBDRO C[C@@H]([NH3+])c1ccn(-c2cnc(F)c([N+](=O)[O-])c2)n1 ZINC001169235405 927816077 /nfs/dbraw/zinc/81/60/77/927816077.db2.gz VTCGGVPQOQTWNC-ZCFIWIBFSA-N 1 0 251.221 1.334 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](CCO)C2CCC2)cc1 ZINC000784392509 937300402 /nfs/dbraw/zinc/30/04/02/937300402.db2.gz HULOBQKWAZKKAS-AWEZNQCLSA-N 1 0 280.324 1.475 20 5 CDBDRO O=[N+]([O-])/C=C/c1ccc(Cl)cc1NC[C@H]1COCC[NH2+]1 ZINC001170044448 929137241 /nfs/dbraw/zinc/13/72/41/929137241.db2.gz LRCCYPOEFOQOCH-PYEVWLCESA-N 1 0 297.742 1.988 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(NC[C@H]2COCC[NH2+]2)c1F ZINC001170045498 929141668 /nfs/dbraw/zinc/14/16/68/929141668.db2.gz BJYJXANAEMLMLG-VIFPVBQESA-N 1 0 269.276 1.443 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1N(C)C(C)(C)C[NH3+] ZINC001170059215 929236793 /nfs/dbraw/zinc/23/67/93/929236793.db2.gz PZYFOUKSKCJJIU-UHFFFAOYSA-N 1 0 254.290 1.172 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NC[C@@H]2CCCC[NH2+]2)n1 ZINC001160145522 931212516 /nfs/dbraw/zinc/21/25/16/931212516.db2.gz RVRAMUBGGFRCSY-QMMMGPOBSA-N 1 0 285.735 1.901 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH3+])[C@H]1C ZINC001246545543 931673454 /nfs/dbraw/zinc/67/34/54/931673454.db2.gz WDMFUAMSMPCKSM-MISXGVKJSA-N 1 0 263.341 1.947 20 5 CDBDRO CCOC(=O)c1cnc(NCC(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC001171188706 931842349 /nfs/dbraw/zinc/84/23/49/931842349.db2.gz QDHAQPSEAAIJLI-UHFFFAOYSA-N 1 0 282.300 1.316 20 5 CDBDRO COc1nc(N[C@@H]2CCC[C@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC001154975072 937614681 /nfs/dbraw/zinc/61/46/81/937614681.db2.gz GVGWRAJSWRFDOX-JGVFFNPUSA-N 1 0 267.289 1.075 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001154977798 937615375 /nfs/dbraw/zinc/61/53/75/937615375.db2.gz OUWPDCLRPLXZEW-BDAKNGLRSA-N 1 0 294.311 1.458 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001154986780 937616743 /nfs/dbraw/zinc/61/67/43/937616743.db2.gz KDZNSXULEZYYDI-HTQZYQBOSA-N 1 0 251.290 1.254 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ncc1NC[C@H]1CCCC[NH2+]1 ZINC001171333815 932736761 /nfs/dbraw/zinc/73/67/61/932736761.db2.gz FUODKRBVOIJRBF-SECBINFHSA-N 1 0 294.311 1.330 20 5 CDBDRO O=[N+]([O-])c1cc(NC[C@H]2CCCC[NH2+]2)cnc1F ZINC001171333763 932736792 /nfs/dbraw/zinc/73/67/92/932736792.db2.gz FBEWOKVDOYBNQN-MRVPVSSYSA-N 1 0 254.265 1.683 20 5 CDBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001155020647 937622128 /nfs/dbraw/zinc/62/21/28/937622128.db2.gz NESLHXBLROWYEA-GHMZBOCLSA-N 1 0 280.328 1.276 20 5 CDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc(N)c([N+](=O)[O-])n1 ZINC001118524150 937636447 /nfs/dbraw/zinc/63/64/47/937636447.db2.gz CGMHWEAPYDERAF-QWRGUYRKSA-N 1 0 279.344 1.857 20 5 CDBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cnnn1C ZINC000925641471 932920041 /nfs/dbraw/zinc/92/00/41/932920041.db2.gz NKHUCIIJWDFDRT-SNVBAGLBSA-N 1 0 275.312 1.617 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[NH2+][C@@H]2C)n1 ZINC001155188069 937646448 /nfs/dbraw/zinc/64/64/48/937646448.db2.gz OJGINZSJLBFMEL-NXEZZACHSA-N 1 0 250.302 1.769 20 5 CDBDRO COc1nc(N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001157263002 938471245 /nfs/dbraw/zinc/47/12/45/938471245.db2.gz ZVDLXEWSAIYETP-CMPLNLGQSA-N 1 0 292.339 1.529 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2ccnc2C(N)=[NH2+])n1 ZINC001157622367 938521729 /nfs/dbraw/zinc/52/17/29/938521729.db2.gz DNFDGNWUWITNEO-UHFFFAOYSA-N 1 0 280.675 1.421 20 5 CDBDRO C[C@H]1[C@H]([NH3+])CCCN1c1cc(Cl)ncc1[N+](=O)[O-] ZINC001157732245 938537423 /nfs/dbraw/zinc/53/74/23/938537423.db2.gz IQPBZRQUVQDYNA-JGVFFNPUSA-N 1 0 270.720 1.959 20 5 CDBDRO Cc1nc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)ccc1[N+](=O)[O-] ZINC001157979056 938570889 /nfs/dbraw/zinc/57/08/89/938570889.db2.gz BKUGAUXWYUTMMT-SNVBAGLBSA-N 1 0 273.296 1.300 20 5 CDBDRO COc1cnc(N(CC[NH3+])c2cccnc2)c([N+](=O)[O-])c1 ZINC001158001097 938574428 /nfs/dbraw/zinc/57/44/28/938574428.db2.gz PQIZRQNLDZALTL-UHFFFAOYSA-N 1 0 289.295 1.490 20 5 CDBDRO [NH3+]Cc1ccc2ncn(-c3cccc([N+](=O)[O-])n3)c2c1 ZINC001158007252 938574662 /nfs/dbraw/zinc/57/46/62/938574662.db2.gz LDLWNJFEIJMECX-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO C[N@H+](C1CN(c2ncc([N+](=O)[O-])cc2F)C1)[C@H]1CCOC1 ZINC001158731754 938658097 /nfs/dbraw/zinc/65/80/97/938658097.db2.gz XKMRLGHSVULUPF-VIFPVBQESA-N 1 0 296.302 1.038 20 5 CDBDRO C[NH+]1CC2(CN(c3ncnc4cccc([N+](=O)[O-])c43)C2)C1 ZINC001158869119 938674476 /nfs/dbraw/zinc/67/44/76/938674476.db2.gz WMGMRSDNBPDWOU-UHFFFAOYSA-N 1 0 285.307 1.290 20 5 CDBDRO C[C@@H](Nc1cc([N+](=O)[O-])c2cc[nH]c2n1)[C@H]1C[NH2+]CCO1 ZINC001159496747 938733310 /nfs/dbraw/zinc/73/33/10/938733310.db2.gz FLUKAMYZFUWCLT-LDYMZIIASA-N 1 0 291.311 1.260 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1ncc([N+](=O)[O-])c2ccccc21 ZINC001159743672 938749105 /nfs/dbraw/zinc/74/91/05/938749105.db2.gz JXUQBCUWGHNNCU-CYBMUJFWSA-N 1 0 276.296 1.612 20 5 CDBDRO [NH3+]Cc1cc2ccncc2n1-c1cc([N+](=O)[O-])ccn1 ZINC001160960001 938850403 /nfs/dbraw/zinc/85/04/03/938850403.db2.gz XFEIVFZEAXVEOX-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO COCCC1([NH3+])CCN(c2cccc([N+](=O)[O-])n2)CC1 ZINC001162041630 938953642 /nfs/dbraw/zinc/95/36/42/938953642.db2.gz NYDPCTQVGCDQDH-UHFFFAOYSA-N 1 0 280.328 1.324 20 5 CDBDRO C[N@@H+]1CCC[C@](C)(Nc2ncc([N+](=O)[O-])cc2N)C1 ZINC001162336600 939027388 /nfs/dbraw/zinc/02/73/88/939027388.db2.gz FHFMQWNPSGQCGE-LBPRGKRZSA-N 1 0 265.317 1.468 20 5 CDBDRO COc1nc(N[C@@H]2CCC[C@H]([NH3+])C2)nc(C)c1[N+](=O)[O-] ZINC001162390009 939041248 /nfs/dbraw/zinc/04/12/48/939041248.db2.gz BIPNWPYKQBCFAZ-DTWKUNHWSA-N 1 0 281.316 1.384 20 5 CDBDRO CC(=O)Nc1ccc(NC[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC001162477097 939064469 /nfs/dbraw/zinc/06/44/69/939064469.db2.gz CQDFMIKJIHLTDI-ONGXEEELSA-N 1 0 296.302 1.665 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001162670353 939111448 /nfs/dbraw/zinc/11/14/48/939111448.db2.gz GIHZFWPCCNUBFO-RNFRBKRXSA-N 1 0 262.273 1.028 20 5 CDBDRO COc1nc(C)c(N[C@@H]2CC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC001162677515 939113102 /nfs/dbraw/zinc/11/31/02/939113102.db2.gz MDFUCEMTFCJMFO-VXNVDRBHSA-N 1 0 266.301 1.469 20 5 CDBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1nccc(N)c1[N+](=O)[O-] ZINC001162763141 939135480 /nfs/dbraw/zinc/13/54/80/939135480.db2.gz NHDTXMDZVCLUOK-QMMMGPOBSA-N 1 0 298.306 1.931 20 5 CDBDRO Cc1cnc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC001162789432 939139478 /nfs/dbraw/zinc/13/94/78/939139478.db2.gz FMKJZUPVTRESJC-GARJFASQSA-N 1 0 260.297 1.484 20 5 CDBDRO Cc1cc(NCc2noc3c2C[NH2+]CC3)ncc1[N+](=O)[O-] ZINC001163132023 939208221 /nfs/dbraw/zinc/20/82/21/939208221.db2.gz SZEZZKWYLYRECT-UHFFFAOYSA-N 1 0 289.295 1.544 20 5 CDBDRO O=[N+]([O-])c1ccnc(Cl)c1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001163336802 939251179 /nfs/dbraw/zinc/25/11/79/939251179.db2.gz KKYFGINCQUZTAB-FWWHASMVSA-N 1 0 284.703 1.184 20 5 CDBDRO COC(=O)Cc1ccc(N[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC001163782820 939330115 /nfs/dbraw/zinc/33/01/15/939330115.db2.gz RRHPQZIQTZSYJF-SNVBAGLBSA-N 1 0 295.339 1.672 20 5 CDBDRO COc1cc(C)nc(N2C[C@@H](C[NH3+])CC[C@@H]2C)c1[N+](=O)[O-] ZINC001164462738 939475511 /nfs/dbraw/zinc/47/55/11/939475511.db2.gz TXXCWJRNBRWUOT-WDEREUQCSA-N 1 0 294.355 1.870 20 5 CDBDRO O=C(CNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)N1CCCC1 ZINC001164579818 939495758 /nfs/dbraw/zinc/49/57/58/939495758.db2.gz FKRHUZQZPKSQKO-UHFFFAOYSA-N 1 0 290.323 1.232 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001165237149 939530850 /nfs/dbraw/zinc/53/08/50/939530850.db2.gz WPZGDQSGMKGPBI-GFCCVEGCSA-N 1 0 297.746 1.618 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001165296376 939542144 /nfs/dbraw/zinc/54/21/44/939542144.db2.gz GNTPGCVEKLEGJI-WCQYABFASA-N 1 0 285.307 1.479 20 5 CDBDRO [NH3+][C@H]1[C@H]2CN(c3nccc4ccc([N+](=O)[O-])cc43)C[C@@H]12 ZINC001165382310 939553321 /nfs/dbraw/zinc/55/33/21/939553321.db2.gz MEMXQNOSWUXHBT-CLLJXQQHSA-N 1 0 270.292 1.536 20 5 CDBDRO Cc1cc(N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001165383447 939554003 /nfs/dbraw/zinc/55/40/03/939554003.db2.gz YNBQMKSFTCWMBV-JJLQDPRZSA-N 1 0 284.319 1.845 20 5 CDBDRO Cc1nc(Cl)nc(N2CCC[C@@H]3[NH2+]C[C@@H]32)c1[N+](=O)[O-] ZINC001165387314 939555725 /nfs/dbraw/zinc/55/57/25/939555725.db2.gz KEBIDTFIOLMCRB-YUMQZZPRSA-N 1 0 283.719 1.287 20 5 CDBDRO COCc1nn(-c2ncc(F)cc2[N+](=O)[O-])c2c1C[NH2+]C2 ZINC001165632575 939573099 /nfs/dbraw/zinc/57/30/99/939573099.db2.gz SUSARQTYQHPDGV-UHFFFAOYSA-N 1 0 293.258 1.064 20 5 CDBDRO [NH3+]C1CCN(c2cc(Cl)cc([N+](=O)[O-])n2)CC1 ZINC001166661956 939624188 /nfs/dbraw/zinc/62/41/88/939624188.db2.gz CSBFNBNKCYSQOY-UHFFFAOYSA-N 1 0 256.693 1.571 20 5 CDBDRO [NH3+][C@@H]1CCN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)CC1(F)F ZINC001166959301 939660412 /nfs/dbraw/zinc/66/04/12/939660412.db2.gz VUXXQKJOWAHKRP-SECBINFHSA-N 1 0 297.265 1.644 20 5 CDBDRO CN(c1ccc(-c2ccccc2[N+](=O)[O-])nn1)C1C[NH2+]C1 ZINC001166983294 939667307 /nfs/dbraw/zinc/66/73/07/939667307.db2.gz REILFKZFTMOVBF-UHFFFAOYSA-N 1 0 285.307 1.460 20 5 CDBDRO COc1cc(C(=O)N2CC[C@@](C)([NH3+])C2)ccc1[N+](=O)[O-] ZINC000405794938 940997091 /nfs/dbraw/zinc/99/70/91/940997091.db2.gz USSUHEYKRRYORU-CYBMUJFWSA-N 1 0 279.296 1.167 20 5 CDBDRO C[C@H]1C[C@H](Oc2ccc(N)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC001218051149 941037814 /nfs/dbraw/zinc/03/78/14/941037814.db2.gz GBAMMVVESSQHEE-WCBMZHEXSA-N 1 0 251.286 1.696 20 5 CDBDRO COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1CC[NH2+]C1 ZINC001218183824 941043191 /nfs/dbraw/zinc/04/31/91/941043191.db2.gz UPEYXFQOQWBBAC-NSHDSACASA-N 1 0 266.297 1.255 20 5 CDBDRO COC(=O)c1cc(O[C@H]2CCC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC001218283792 941051060 /nfs/dbraw/zinc/05/10/60/941051060.db2.gz NQMXBNPAGHTYEJ-QMMMGPOBSA-N 1 0 298.270 1.651 20 5 CDBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[NH2+]C2)c(Cl)n1 ZINC001218283067 941051131 /nfs/dbraw/zinc/05/11/31/941051131.db2.gz DMWCBWLIIHPYSB-SSDOTTSWSA-N 1 0 257.677 1.774 20 5 CDBDRO C[N@@H+]1CCC[C@H](OCc2ccc([N+](=O)[O-])nc2)C1 ZINC001224108718 941720345 /nfs/dbraw/zinc/72/03/45/941720345.db2.gz JWNYICPVVVOWFA-NSHDSACASA-N 1 0 251.286 1.601 20 5 CDBDRO COC(=O)C[C@@H]1CCC[C@H](OCC[N+](C)(C)C)C1 ZINC001224776283 941789827 /nfs/dbraw/zinc/78/98/27/941789827.db2.gz UKZXTPPMFLVISG-OLZOCXBDSA-N 1 0 258.382 1.831 20 5 CDBDRO CC(C)(C)OC(=O)N1CC=C[C@@H](OCC[N+](C)(C)C)C1 ZINC001224776482 941790242 /nfs/dbraw/zinc/79/02/42/941790242.db2.gz WFBQFXXVUDKJAD-CYBMUJFWSA-N 1 0 285.408 1.885 20 5 CDBDRO C[N+](C)(C)CCOC[C@@H]1CC[C@]2(CCCCO2)O1 ZINC001224776517 941790344 /nfs/dbraw/zinc/79/03/44/941790344.db2.gz WZHYUIMREGOUMU-KBPBESRZSA-N 1 0 258.382 1.785 20 5 CDBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])cn1)C2 ZINC001225628065 941890655 /nfs/dbraw/zinc/89/06/55/941890655.db2.gz MKZXQZZTHHZSFC-IAZYJMLFSA-N 1 0 263.297 1.994 20 5 CDBDRO COCc1cc(O[C@@H](C)C[N+](C)(C)C)nc(=S)[nH]1 ZINC001225938543 941931992 /nfs/dbraw/zinc/93/19/92/941931992.db2.gz OPMZTXDNBYCKHV-VIFPVBQESA-O 1 0 272.394 1.385 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1c(O)ccc2ccc(=O)oc21 ZINC001226599163 942033000 /nfs/dbraw/zinc/03/30/00/942033000.db2.gz JYSRQRNCOXQMEO-JTQLQIEISA-O 1 0 278.328 1.972 20 5 CDBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001227466985 942178846 /nfs/dbraw/zinc/17/88/46/942178846.db2.gz QGAFDGDTULVMEX-CYBMUJFWSA-N 1 0 293.279 1.976 20 5 CDBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cncc([N+](=O)[O-])c1)C2 ZINC001227988920 942252539 /nfs/dbraw/zinc/25/25/39/942252539.db2.gz ZJDKTFKBOSMYAK-PEGIJTEDSA-N 1 0 263.297 1.994 20 5 CDBDRO Cc1[nH]c(=O)cc(O[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC001228687345 942357359 /nfs/dbraw/zinc/35/73/59/942357359.db2.gz VWFVJQKHTVFBJB-ZETCQYMHSA-N 1 0 255.274 1.333 20 5 CDBDRO COC(=O)c1nc(C)ccc1O[C@H](C)C[N+](C)(C)C ZINC001228929686 942396072 /nfs/dbraw/zinc/39/60/72/942396072.db2.gz MTILLOYIIMCSSF-LLVKDONJSA-N 1 0 267.349 1.650 20 5 CDBDRO C[C@@H](C[NH+](C)C)Oc1nc2c[nH]cc([N+](=O)[O-])c-2n1 ZINC001230230080 942592528 /nfs/dbraw/zinc/59/25/28/942592528.db2.gz KBBMJSLVKFQXAX-ZETCQYMHSA-N 1 0 265.273 1.195 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1nc(=O)[nH]c2c1SCC2 ZINC001230792226 942698123 /nfs/dbraw/zinc/69/81/23/942698123.db2.gz MMUWXRVWRHAKAQ-QMMMGPOBSA-O 1 0 270.378 1.304 20 5 CDBDRO C[C@@H](C[NH+](C)C)Oc1cccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001233575139 943619872 /nfs/dbraw/zinc/61/98/72/943619872.db2.gz NVFBKNKAPYRNNM-QMMMGPOBSA-N 1 0 269.257 1.832 20 5 CDBDRO Cc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc2n[nH]cc21 ZINC001233740829 943647907 /nfs/dbraw/zinc/64/79/07/943647907.db2.gz WUCKSIAZXMMPJU-LLVKDONJSA-N 1 0 292.359 1.234 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000722034693 943661634 /nfs/dbraw/zinc/66/16/34/943661634.db2.gz GNLKRNFIFMDXIG-MRVPVSSYSA-N 1 0 285.731 1.976 20 5 CDBDRO Cc1cc2c[nH]nc2cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001234032628 943721213 /nfs/dbraw/zinc/72/12/13/943721213.db2.gz HPNCXTDWQVNPLZ-GFCCVEGCSA-N 1 0 292.359 1.234 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC001261460870 946128227 /nfs/dbraw/zinc/12/82/27/946128227.db2.gz RGKHVNCIKNWJNK-JTQLQIEISA-N 1 0 292.339 1.508 20 5 CDBDRO CC(C)(O)C[N@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC001262240210 946543520 /nfs/dbraw/zinc/54/35/20/946543520.db2.gz WWMZEQKHBLQSRA-UHFFFAOYSA-N 1 0 252.314 1.536 20 5 CDBDRO CC(C)(CO)[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC001262480346 946675271 /nfs/dbraw/zinc/67/52/71/946675271.db2.gz HQURZAAWLQOHAQ-GFCCVEGCSA-N 1 0 252.314 1.613 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001262584541 946737331 /nfs/dbraw/zinc/73/73/31/946737331.db2.gz FCRWAIJHBSURKV-WDEREUQCSA-N 1 0 294.355 1.811 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1COCCN1C ZINC001254540168 947519257 /nfs/dbraw/zinc/51/92/57/947519257.db2.gz PKZHUTOJJNIWAA-TZMCWYRMSA-N 1 0 293.367 1.446 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)C1CC1 ZINC001254548487 947522227 /nfs/dbraw/zinc/52/22/27/947522227.db2.gz MPFUEZQYIGABPK-MFKMUULPSA-N 1 0 264.325 1.886 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC001254551809 947522905 /nfs/dbraw/zinc/52/29/05/947522905.db2.gz GANABDGCEVRGNV-MJVIPROJSA-N 1 0 264.325 1.838 20 5 CDBDRO Cc1nn(C)cc1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572209 947530571 /nfs/dbraw/zinc/53/05/71/947530571.db2.gz JRJRNSJJPWCMON-AWEZNQCLSA-N 1 0 286.335 1.894 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)C2 ZINC001254569860 947531185 /nfs/dbraw/zinc/53/11/85/947531185.db2.gz ZNVKIOZXQXWLJS-ZBINZKHDSA-N 1 0 276.336 1.813 20 5 CDBDRO CC(C)NC(=O)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254571789 947531652 /nfs/dbraw/zinc/53/16/52/947531652.db2.gz BUYDOVFTKUYMBR-GFCCVEGCSA-N 1 0 277.324 1.176 20 5 CDBDRO O=c1cc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc[nH]1 ZINC001254573525 947532854 /nfs/dbraw/zinc/53/28/54/947532854.db2.gz BJCKHAOEQADKAX-ZDUSSCGKSA-N 1 0 285.303 1.952 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)C2 ZINC001254574189 947533066 /nfs/dbraw/zinc/53/30/66/947533066.db2.gz GQDZPPFKTMBNFE-WFBYXXMGSA-N 1 0 262.309 1.423 20 5 CDBDRO [NH3+]CCN(c1cccnc1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254574584 947533683 /nfs/dbraw/zinc/53/36/83/947533683.db2.gz IZHFLBKIUGVKKF-INIZCTEOSA-N 1 0 298.346 1.922 20 5 CDBDRO O=c1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c[nH]1 ZINC001254575883 947535453 /nfs/dbraw/zinc/53/54/53/947535453.db2.gz UMJWGZVLJSRWGL-ZDUSSCGKSA-N 1 0 285.303 1.952 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H](CO)c1ccccn1)C2 ZINC001254580933 947537795 /nfs/dbraw/zinc/53/77/95/947537795.db2.gz IEXMHLCYFXRDOM-CZUORRHYSA-N 1 0 299.330 1.780 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccncn1)C2 ZINC001254581461 947538084 /nfs/dbraw/zinc/53/80/84/947538084.db2.gz LCEAJIHECLFTHZ-ZDUSSCGKSA-N 1 0 270.292 1.642 20 5 CDBDRO Cc1ncn([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1CC[NH3+] ZINC001254584340 947540540 /nfs/dbraw/zinc/54/05/40/947540540.db2.gz ROUVAXMEAZPDGQ-CQSZACIVSA-N 1 0 286.335 1.941 20 5 CDBDRO Cn1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254584933 947540596 /nfs/dbraw/zinc/54/05/96/947540596.db2.gz UNCOBXIUDKSWQE-ZDUSSCGKSA-N 1 0 272.308 1.585 20 5 CDBDRO COC(=O)[C@@H](C)N(C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603604 947552322 /nfs/dbraw/zinc/55/23/22/947552322.db2.gz OQTSXDWGTDKBNE-NOZJJQNGSA-N 1 0 278.308 1.555 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1C[C@@H]3CCO[C@@H]3C1)C2 ZINC001254603329 947553383 /nfs/dbraw/zinc/55/33/83/947553383.db2.gz MNMRBLACUMEVHM-TUKIKUTGSA-N 1 0 274.320 1.783 20 5 CDBDRO COC(=O)[C@@H](C)N(C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603606 947554369 /nfs/dbraw/zinc/55/43/69/947554369.db2.gz OQTSXDWGTDKBNE-RNCFNFMXSA-N 1 0 278.308 1.555 20 5 CDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C ZINC001324437619 953387356 /nfs/dbraw/zinc/38/73/56/953387356.db2.gz DQPYVAYMRLRAIW-UHFFFAOYSA-N 1 0 267.329 1.877 20 5 CDBDRO CC(C)CNC(=O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC001324963588 953659220 /nfs/dbraw/zinc/65/92/20/953659220.db2.gz CCOWKZLTBVXIHL-JTQLQIEISA-N 1 0 294.355 1.600 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cccn2C2CC2)c1 ZINC001326429707 954377735 /nfs/dbraw/zinc/37/77/35/954377735.db2.gz JKMCVLXUXHJOFF-UHFFFAOYSA-N 1 0 275.312 1.718 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001303272772 956075981 /nfs/dbraw/zinc/07/59/81/956075981.db2.gz DTGHULHSUXBTKX-VXGBXAGGSA-N 1 0 278.312 1.232 20 5 CDBDRO CC1(C)CC[NH2+][C@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329936512 956192040 /nfs/dbraw/zinc/19/20/40/956192040.db2.gz GUQZUZZNMWQFJY-ZDUSSCGKSA-N 1 0 289.335 1.825 20 5 CDBDRO CO[C@@H](C)[C@H](C)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001308930907 956600596 /nfs/dbraw/zinc/60/05/96/956600596.db2.gz MSVVPJMRZLWBKG-DUBDDPSESA-N 1 0 298.339 1.002 20 5 CDBDRO [NH3+]CC1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCCC1 ZINC001331942749 957352291 /nfs/dbraw/zinc/35/22/91/957352291.db2.gz FOTHVXHVLUVAHS-UHFFFAOYSA-N 1 0 289.335 1.956 20 5 CDBDRO CC(C)[C@H]([NH3+])C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001332142098 957450033 /nfs/dbraw/zinc/45/00/33/957450033.db2.gz PZBJXKGTVDJIOZ-LBPRGKRZSA-N 1 0 263.297 1.420 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH3+])C1 ZINC001332156501 957456410 /nfs/dbraw/zinc/45/64/10/957456410.db2.gz ILBALKYKDFLKOJ-SECBINFHSA-N 1 0 278.312 1.057 20 5 CDBDRO C[C@@H](NC(=O)NC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC001335537883 959874179 /nfs/dbraw/zinc/87/41/79/959874179.db2.gz OTGLFIGAWQUAKK-SNVBAGLBSA-N 1 0 292.339 1.707 20 5 CDBDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CO1 ZINC001336770085 960568600 /nfs/dbraw/zinc/56/86/00/960568600.db2.gz FNJBUMPLCHEBCO-WOPDTQHZSA-N 1 0 296.323 1.102 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)CC[C@H]21 ZINC001339629615 962455150 /nfs/dbraw/zinc/45/51/50/962455150.db2.gz PFSQVYGDERNHHH-CMPLNLGQSA-N 1 0 291.355 1.493 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001343505904 964013066 /nfs/dbraw/zinc/01/30/66/964013066.db2.gz OTMXHVBOHPDKRY-UHTWSYAYSA-N 1 0 277.324 1.552 20 5 CDBDRO C[NH+](C)C[C@H](NCC[N+](=O)[O-])c1ccc(F)cc1 ZINC001346180642 964973080 /nfs/dbraw/zinc/97/30/80/964973080.db2.gz NJAOSZRAGLNJBA-LBPRGKRZSA-N 1 0 255.293 1.295 20 5 CDBDRO Cn1cncc1CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001346212601 964988922 /nfs/dbraw/zinc/98/89/22/964988922.db2.gz AUYAHRZEVAOTDM-AWEZNQCLSA-N 1 0 290.323 1.194 20 5 CDBDRO CC1(C)OC[C@H](C[NH2+]CCc2cccc([N+](=O)[O-])c2)O1 ZINC001352012863 967058301 /nfs/dbraw/zinc/05/83/01/967058301.db2.gz ZVPANAGINNDGNS-ZDUSSCGKSA-N 1 0 280.324 1.878 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001353602494 968097030 /nfs/dbraw/zinc/09/70/30/968097030.db2.gz PJXSZUNKPCAZRZ-WQAKAFBOSA-N 1 0 277.324 1.552 20 5 CDBDRO CC(C)(C)OC(=O)NC1(C[NH2+]CC[N+](=O)[O-])CCCC1 ZINC001356586339 969438567 /nfs/dbraw/zinc/43/85/67/969438567.db2.gz REGVCFHEYBETOV-UHFFFAOYSA-N 1 0 287.360 1.690 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](CO)CC2CC2)c1 ZINC001356619049 969443787 /nfs/dbraw/zinc/44/37/87/969443787.db2.gz PMVJNRWNKBKISF-DOMZBBRYSA-N 1 0 294.351 1.626 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](CO)CC2CC2)c1 ZINC001356619050 969443976 /nfs/dbraw/zinc/44/39/76/969443976.db2.gz PMVJNRWNKBKISF-IUODEOHRSA-N 1 0 294.351 1.626 20 5 CDBDRO O=C(OCC[NH+]1CCC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001519842593 970117421 /nfs/dbraw/zinc/11/74/21/970117421.db2.gz SWSMQGVZNUZGKD-ZIAGYGMSSA-N 1 0 290.319 1.947 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC001514830776 976360343 /nfs/dbraw/zinc/36/03/43/976360343.db2.gz SSLBLMJYNBYLNC-CYBMUJFWSA-N 1 0 291.351 1.738 20 5 CDBDRO CCC1(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001133406432 1163688382 /nfs/dbraw/zinc/68/83/82/1163688382.db2.gz CHDZJCSFLGUNSP-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO CC(C)[NH2+]CCCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001575731279 1171255485 /nfs/dbraw/zinc/25/54/85/1171255485.db2.gz YLTGKIIICVISAB-UHFFFAOYSA-N 1 0 289.723 1.089 20 5 CDBDRO C[NH2+]CC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001578676943 1171977659 /nfs/dbraw/zinc/97/76/59/1171977659.db2.gz SDXCYVDNQICGNS-LLVKDONJSA-N 1 0 292.339 1.594 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC1(C[NH+](C)C)CCC1 ZINC000280910075 282080154 /nfs/dbraw/zinc/08/01/54/282080154.db2.gz AFCKEVXBHVUDLM-UHFFFAOYSA-N 1 0 253.306 1.225 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ccsc3[N+](=O)[O-])C[C@H]21 ZINC000601171740 342485972 /nfs/dbraw/zinc/48/59/72/342485972.db2.gz PJOHOFKIXXDBFY-MBTKJCJQSA-N 1 0 253.327 1.653 20 5 CDBDRO C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@H](C)[N@H+]1C ZINC000590146296 342523033 /nfs/dbraw/zinc/52/30/33/342523033.db2.gz RCLIIPPUPBXBQD-AOOOYVTPSA-N 1 0 290.327 1.166 20 5 CDBDRO Cc1c(CNC(=O)[C@H](C)C2C[NH2+]C2)cccc1[N+](=O)[O-] ZINC000231856553 341994801 /nfs/dbraw/zinc/99/48/01/341994801.db2.gz OOZPAFLKXQAHAK-SNVBAGLBSA-N 1 0 277.324 1.375 20 5 CDBDRO Cc1c([C@@H](C)[NH2+][C@@H]2COCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000601306566 342551236 /nfs/dbraw/zinc/55/12/36/342551236.db2.gz LTTYLDUPTWDCMA-MPKXVKKWSA-N 1 0 280.324 1.704 20 5 CDBDRO COc1ccc(CN2C[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000601330306 342554716 /nfs/dbraw/zinc/55/47/16/342554716.db2.gz RIPUHJOSLAUONQ-MWLCHTKSSA-N 1 0 265.313 1.525 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ncccc1[N+](=O)[O-] ZINC000590569136 342576311 /nfs/dbraw/zinc/57/63/11/342576311.db2.gz MDGIOAKXCPFVSC-ZJUUUORDSA-N 1 0 250.302 1.519 20 5 CDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000590580318 342577460 /nfs/dbraw/zinc/57/74/60/342577460.db2.gz AIGSJMPXMAWLDO-CMPLNLGQSA-N 1 0 291.355 1.493 20 5 CDBDRO CC1CC[NH+](C[C@H](O)CNc2ncccc2[N+](=O)[O-])CC1 ZINC000067373167 342048878 /nfs/dbraw/zinc/04/88/78/342048878.db2.gz MTEKGXRWQFSBKL-GFCCVEGCSA-N 1 0 294.355 1.495 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCn3cncc3C2)cc1 ZINC000590599155 342579652 /nfs/dbraw/zinc/57/96/52/342579652.db2.gz JKKKQTITIZLTRH-UHFFFAOYSA-N 1 0 272.308 1.850 20 5 CDBDRO C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cnc([N+](=O)[O-])c1 ZINC000608860439 342079463 /nfs/dbraw/zinc/07/94/63/342079463.db2.gz LOQZKAAUKHKAQM-ZDUSSCGKSA-N 1 0 290.323 1.284 20 5 CDBDRO Cn1c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000608906296 342084165 /nfs/dbraw/zinc/08/41/65/342084165.db2.gz XCLUUHSPOCWHGZ-LLVKDONJSA-N 1 0 292.339 1.244 20 5 CDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1cccnc1[N+](=O)[O-] ZINC000609288927 342100469 /nfs/dbraw/zinc/10/04/69/342100469.db2.gz KNGABMJRQRXTIV-NSHDSACASA-N 1 0 279.344 1.038 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](C3CCC3)C2)c1 ZINC000591062000 342614927 /nfs/dbraw/zinc/61/49/27/342614927.db2.gz QNCGPBJMXMVOGM-LBPRGKRZSA-N 1 0 264.329 1.913 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591270311 342623648 /nfs/dbraw/zinc/62/36/48/342623648.db2.gz BWLVPOBKMZHZBA-MFKMUULPSA-N 1 0 290.323 1.811 20 5 CDBDRO C[NH2+]CCCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591275896 342623907 /nfs/dbraw/zinc/62/39/07/342623907.db2.gz WEZWNHFOMGMXCE-UHFFFAOYSA-N 1 0 281.312 1.065 20 5 CDBDRO COc1ccc(C[N@H+](C)C[C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000591473299 342634312 /nfs/dbraw/zinc/63/43/12/342634312.db2.gz DCUYYDTZPOTULN-TXEJJXNPSA-N 1 0 280.324 1.806 20 5 CDBDRO O=[N+]([O-])c1cncc(Cl)c1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000310746413 342134870 /nfs/dbraw/zinc/13/48/70/342134870.db2.gz JGANOTLBTZDMQY-YUMQZZPRSA-N 1 0 268.704 1.299 20 5 CDBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1csc([N+](=O)[O-])c1)C2 ZINC000312856334 342145398 /nfs/dbraw/zinc/14/53/98/342145398.db2.gz RBQUOBOVRMEULI-GWCFXTLKSA-N 1 0 295.364 1.857 20 5 CDBDRO CC1CC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591748082 342645228 /nfs/dbraw/zinc/64/52/28/342645228.db2.gz VFSNFFMQWFDLSG-MCIGGMRASA-N 1 0 280.324 1.723 20 5 CDBDRO O=c1onc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC[NH2+]C1 ZINC000592171064 342672028 /nfs/dbraw/zinc/67/20/28/342672028.db2.gz JXLJJNLFDBEFNC-SECBINFHSA-N 1 0 290.279 1.021 20 5 CDBDRO [NH3+]C[C@@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592425052 342690207 /nfs/dbraw/zinc/69/02/07/342690207.db2.gz RWYHHUQIBJGEHI-JTQLQIEISA-N 1 0 293.323 1.147 20 5 CDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000592500175 342705437 /nfs/dbraw/zinc/70/54/37/342705437.db2.gz GCPAQUGWPFIEES-RTXFEEFZSA-N 1 0 275.308 1.004 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592544672 342708627 /nfs/dbraw/zinc/70/86/27/342708627.db2.gz GDMLQLFBUDNYGT-ZJUUUORDSA-N 1 0 292.339 1.376 20 5 CDBDRO CC(C)[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000592543928 342708689 /nfs/dbraw/zinc/70/86/89/342708689.db2.gz YIJYDYNYFYBPJM-LLVKDONJSA-N 1 0 292.339 1.247 20 5 CDBDRO Cc1n[nH]c(C)c1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000289872886 361865451 /nfs/dbraw/zinc/86/54/51/361865451.db2.gz RJZJMNJTVZGRSY-UHFFFAOYSA-N 1 0 289.339 1.900 20 5 CDBDRO C[C@H](CCO)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000593108970 342769308 /nfs/dbraw/zinc/76/93/08/342769308.db2.gz FGKZMNXWCWXNNV-SNVBAGLBSA-N 1 0 296.323 1.664 20 5 CDBDRO C[NH2+]CCn1cc(-c2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000600790891 342249206 /nfs/dbraw/zinc/24/92/06/342249206.db2.gz WJBQGHDZZHGEEL-UHFFFAOYSA-N 1 0 264.260 1.817 20 5 CDBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1c[nH]nc1[N+](=O)[O-] ZINC000594419792 342903137 /nfs/dbraw/zinc/90/31/37/342903137.db2.gz RLQRULLASIAIHI-QWRGUYRKSA-N 1 0 293.327 1.065 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000594425104 342904366 /nfs/dbraw/zinc/90/43/66/342904366.db2.gz JWKVYPMATIAXLV-OCCSQVGLSA-N 1 0 275.308 1.923 20 5 CDBDRO CCC(C)(C)[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000594594278 342923121 /nfs/dbraw/zinc/92/31/21/342923121.db2.gz NBQBGKLHGOPKPB-UHFFFAOYSA-N 1 0 281.360 1.639 20 5 CDBDRO Cc1c(NC(=O)[C@@H]2CC[NH2+][C@H]2C)cccc1[N+](=O)[O-] ZINC000092952529 342270586 /nfs/dbraw/zinc/27/05/86/342270586.db2.gz DZTHWNKCZFTCBV-VHSXEESVSA-N 1 0 263.297 1.840 20 5 CDBDRO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000158549987 342290388 /nfs/dbraw/zinc/29/03/88/342290388.db2.gz SHZBSKLZWANCRD-BDAKNGLRSA-N 1 0 251.290 1.279 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](C)CO ZINC000595020282 342995948 /nfs/dbraw/zinc/99/59/48/342995948.db2.gz YIBQWPJNMCWDEJ-NXEZZACHSA-N 1 0 268.313 1.882 20 5 CDBDRO COCC[C@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041150 342998232 /nfs/dbraw/zinc/99/82/32/342998232.db2.gz YSLFNAHKPJWEQZ-WDEREUQCSA-N 1 0 298.339 1.651 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000595233263 343016648 /nfs/dbraw/zinc/01/66/48/343016648.db2.gz JZYFBUAROROMSQ-MRVPVSSYSA-N 1 0 282.300 1.333 20 5 CDBDRO CSC[C@](C)(O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000230168174 349774607 /nfs/dbraw/zinc/77/46/07/349774607.db2.gz DLGYZCQZZCGBIG-CYBMUJFWSA-N 1 0 284.381 1.841 20 5 CDBDRO COCC[C@](C)(O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000230249982 349775885 /nfs/dbraw/zinc/77/58/85/349775885.db2.gz ZCMFVMLPBYJTEK-AWEZNQCLSA-N 1 0 282.340 1.514 20 5 CDBDRO Cc1noc(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c1[N+](=O)[O-] ZINC000595399354 343048629 /nfs/dbraw/zinc/04/86/29/343048629.db2.gz ZOHGPCRRIVFPMH-PSASIEDQSA-N 1 0 269.301 1.627 20 5 CDBDRO Cc1noc(C[NH2+][C@H](C)[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000595433407 343059449 /nfs/dbraw/zinc/05/94/49/343059449.db2.gz WKKMIQGJLCJUNW-SCZZXKLOSA-N 1 0 269.301 1.796 20 5 CDBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595513549 343082702 /nfs/dbraw/zinc/08/27/02/343082702.db2.gz VRLRZPUVGUGZNB-RYUDHWBXSA-N 1 0 268.288 1.983 20 5 CDBDRO C[C@H](O)[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000595769811 343146626 /nfs/dbraw/zinc/14/66/26/343146626.db2.gz MCVFTBKMBPXDKF-SMDDNHRTSA-N 1 0 280.324 1.819 20 5 CDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1COCCO1 ZINC000595736400 343135790 /nfs/dbraw/zinc/13/57/90/343135790.db2.gz FNRUPNYIAPKLNL-CQSZACIVSA-N 1 0 296.323 1.321 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000126468854 187242095 /nfs/dbraw/zinc/24/20/95/187242095.db2.gz QPYVZLOJOWFPFI-MFKMUULPSA-N 1 0 277.324 1.599 20 5 CDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC(C)(C)[NH3+] ZINC000595904042 343188204 /nfs/dbraw/zinc/18/82/04/343188204.db2.gz XEUGFHIMELCRMX-SNVBAGLBSA-N 1 0 294.355 1.591 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000595918413 343191663 /nfs/dbraw/zinc/19/16/63/343191663.db2.gz BRGQDTJQQMOPQI-LLVKDONJSA-N 1 0 251.286 1.209 20 5 CDBDRO CC[NH+]1CCN(CCNc2cccc(C)c2[N+](=O)[O-])CC1 ZINC000596074324 343226048 /nfs/dbraw/zinc/22/60/48/343226048.db2.gz SXYCHSDICPQJIB-UHFFFAOYSA-N 1 0 292.383 1.953 20 5 CDBDRO C[NH2+]C[C@H](C)NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000596104486 343227960 /nfs/dbraw/zinc/22/79/60/343227960.db2.gz FMEUFXQTGFOYTK-VIFPVBQESA-N 1 0 283.328 1.310 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596097546 343235351 /nfs/dbraw/zinc/23/53/51/343235351.db2.gz ZAMRRFOUTFBZDU-JTQLQIEISA-N 1 0 280.328 1.839 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596197866 343263023 /nfs/dbraw/zinc/26/30/23/343263023.db2.gz YFWQUWATZSJMEG-UHFFFAOYSA-N 1 0 292.339 1.224 20 5 CDBDRO C[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000596247907 343273797 /nfs/dbraw/zinc/27/37/97/343273797.db2.gz TUFQHDWWMKODPW-DTORHVGOSA-N 1 0 266.301 1.224 20 5 CDBDRO C[C@@H](CCNc1c(Cl)cncc1[N+](=O)[O-])[NH+](C)C ZINC000596431115 343319459 /nfs/dbraw/zinc/31/94/59/343319459.db2.gz MUTDUZOMZYSZQD-QMMMGPOBSA-N 1 0 272.736 1.817 20 5 CDBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])cn1C)[NH+](C)C ZINC000596452977 343324713 /nfs/dbraw/zinc/32/47/13/343324713.db2.gz GMKUPAXQYLJZGN-SECBINFHSA-N 1 0 268.317 1.003 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000596335848 343297878 /nfs/dbraw/zinc/29/78/78/343297878.db2.gz JMSQUXJDMGVXNV-VIFPVBQESA-N 1 0 265.317 1.670 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NCCC[NH+]1CCC(O)CC1 ZINC000092620538 342418437 /nfs/dbraw/zinc/41/84/37/342418437.db2.gz MUBHAHKUYVYANZ-UHFFFAOYSA-N 1 0 294.355 1.557 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000139670037 342432749 /nfs/dbraw/zinc/43/27/49/342432749.db2.gz XVUUQJRHYANLMW-NSHDSACASA-N 1 0 290.323 1.953 20 5 CDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000209369090 342438528 /nfs/dbraw/zinc/43/85/28/342438528.db2.gz HICSEWZBGYUEOV-IDOVFVQQSA-N 1 0 287.319 1.428 20 5 CDBDRO COc1cc(CN2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000092456990 342412607 /nfs/dbraw/zinc/41/26/07/342412607.db2.gz BSYVCQGHBPUCJB-SNVBAGLBSA-N 1 0 295.339 1.406 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(C)(C)C[NH3+] ZINC000137408220 342413466 /nfs/dbraw/zinc/41/34/66/342413466.db2.gz TUJNDQBNMNWZEX-UHFFFAOYSA-N 1 0 251.286 1.827 20 5 CDBDRO C[C@@]1(NC(=O)NCc2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000597434571 343535901 /nfs/dbraw/zinc/53/59/01/343535901.db2.gz RMFIJBXMOFCIOU-CYBMUJFWSA-N 1 0 278.312 1.146 20 5 CDBDRO C[NH+](C)CC1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000597707847 343605736 /nfs/dbraw/zinc/60/57/36/343605736.db2.gz HGZGGIATRHIJHF-UHFFFAOYSA-N 1 0 292.339 1.027 20 5 CDBDRO C[NH+](C)CC1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000597708491 343606171 /nfs/dbraw/zinc/60/61/71/343606171.db2.gz MOQREJFKFGQVOX-UHFFFAOYSA-N 1 0 297.742 1.882 20 5 CDBDRO C[C@H](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000598001207 343686278 /nfs/dbraw/zinc/68/62/78/343686278.db2.gz XNPJFRMJRJIGCE-LLVKDONJSA-N 1 0 279.340 1.594 20 5 CDBDRO Cc1c(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598667454 343862564 /nfs/dbraw/zinc/86/25/64/343862564.db2.gz HSQXQRHUAOAAEJ-NHYWBVRUSA-N 1 0 289.335 1.857 20 5 CDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1csc([N+](=O)[O-])c1)C2 ZINC000598669655 343872505 /nfs/dbraw/zinc/87/25/05/343872505.db2.gz LNVMBYDLMZWLSF-SKDRFNHKSA-N 1 0 281.337 1.610 20 5 CDBDRO CC[NH2+]CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915409 343919547 /nfs/dbraw/zinc/91/95/47/343919547.db2.gz LODQECIPJKRUDQ-UHFFFAOYSA-N 1 0 284.291 1.855 20 5 CDBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)C1C[NH2+]C1 ZINC000598914331 343919656 /nfs/dbraw/zinc/91/96/56/343919656.db2.gz AJGUOLUTQDXODS-UHFFFAOYSA-N 1 0 268.248 1.169 20 5 CDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000598915770 343920081 /nfs/dbraw/zinc/92/00/81/343920081.db2.gz ONYMQTZAZMOYQA-QMTHXVAHSA-N 1 0 290.323 1.940 20 5 CDBDRO C[NH2+]CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915774 343920137 /nfs/dbraw/zinc/92/01/37/343920137.db2.gz OPBCYERDHAWBGX-UHFFFAOYSA-N 1 0 256.237 1.075 20 5 CDBDRO Cc1c([C@H](C)[NH2+]CCN2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000599094822 343953642 /nfs/dbraw/zinc/95/36/42/343953642.db2.gz YWGWVMZUKTTXIJ-STQMWFEESA-N 1 0 293.367 1.620 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3sccc3[N+](=O)[O-])C[C@H]21 ZINC000599082401 343957704 /nfs/dbraw/zinc/95/77/04/343957704.db2.gz BLXMFVXGVYTZAY-MBTKJCJQSA-N 1 0 253.327 1.653 20 5 CDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[NH2+]CC1 ZINC000210683211 344177385 /nfs/dbraw/zinc/17/73/85/344177385.db2.gz VWHUPQWEWVXVHS-DAXSKMNVSA-N 1 0 275.308 1.430 20 5 CDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601600167 344206867 /nfs/dbraw/zinc/20/68/67/344206867.db2.gz BFCXPHWXNJKNFN-ONGXEEELSA-N 1 0 295.314 1.899 20 5 CDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000051423364 344284176 /nfs/dbraw/zinc/28/41/76/344284176.db2.gz RCFCYZDWLSKIIU-CYBMUJFWSA-N 1 0 280.324 1.676 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602488767 344450531 /nfs/dbraw/zinc/45/05/31/344450531.db2.gz ZUZSMTOPRUCWAE-BDAKNGLRSA-N 1 0 281.287 1.734 20 5 CDBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000602494428 344451105 /nfs/dbraw/zinc/45/11/05/344451105.db2.gz XZNIMWNBQCYWAF-GXSJLCMTSA-N 1 0 293.298 1.558 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000602534152 344470654 /nfs/dbraw/zinc/47/06/54/344470654.db2.gz GDJGSJMGFNAMFQ-UHFFFAOYSA-N 1 0 279.340 1.941 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCOC[C@@H]2CCOC2)cc1 ZINC000602535809 344471118 /nfs/dbraw/zinc/47/11/18/344471118.db2.gz SVUUFXOJJOACBY-CQSZACIVSA-N 1 0 294.351 1.780 20 5 CDBDRO CO[C@@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000602579764 344474695 /nfs/dbraw/zinc/47/46/95/344474695.db2.gz GKCIVWNDDOXTLY-ZFWWWQNUSA-N 1 0 294.351 1.778 20 5 CDBDRO CO[C@@]1(C[NH2+]CCc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000602579276 344474777 /nfs/dbraw/zinc/47/47/77/344474777.db2.gz DRCVAAFTSPXWOA-CQSZACIVSA-N 1 0 280.324 1.532 20 5 CDBDRO COc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1[N+](=O)[O-] ZINC000602589425 344479623 /nfs/dbraw/zinc/47/96/23/344479623.db2.gz DHPVUEPNTFNKLC-AOOOYVTPSA-N 1 0 291.307 1.180 20 5 CDBDRO CCOc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1[N+](=O)[O-] ZINC000602603210 344489573 /nfs/dbraw/zinc/48/95/73/344489573.db2.gz NDHXJTMLBYNRHL-QWRGUYRKSA-N 1 0 291.307 1.180 20 5 CDBDRO CC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C1CCOCC1 ZINC000602799693 344589842 /nfs/dbraw/zinc/58/98/42/344589842.db2.gz DITVUVNLKLKZEN-CYBMUJFWSA-N 1 0 296.371 1.895 20 5 CDBDRO O=C(C1C[NH2+]C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000263276089 362434662 /nfs/dbraw/zinc/43/46/62/362434662.db2.gz IWHBCXIYJOISLD-UHFFFAOYSA-N 1 0 275.308 1.305 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@H]1[C@H](C)O ZINC000602775613 344578111 /nfs/dbraw/zinc/57/81/11/344578111.db2.gz KIBCSMAJADFHHF-JQWIXIFHSA-N 1 0 282.344 1.335 20 5 CDBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])C1(C)C ZINC000602841475 344622092 /nfs/dbraw/zinc/62/20/92/344622092.db2.gz OFHQCQGINLTWBY-JIMOISOXSA-N 1 0 296.371 1.749 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](CO)[C@H]1C ZINC000602846354 344623665 /nfs/dbraw/zinc/62/36/65/344623665.db2.gz OQSZBZGEKZAANI-ZYHUDNBSSA-N 1 0 282.344 1.193 20 5 CDBDRO O=[N+]([O-])c1ncccc1NC[C@@H]1CSCC[NH2+]1 ZINC000603419671 344799351 /nfs/dbraw/zinc/79/93/51/344799351.db2.gz PENYDNBTKKCGNJ-MRVPVSSYSA-N 1 0 254.315 1.107 20 5 CDBDRO COc1cc([N+](=O)[O-])cn(CC[C@H]2CCCC[N@@H+]2C)c1=O ZINC000603363169 344784234 /nfs/dbraw/zinc/78/42/34/344784234.db2.gz SLXZBUPRVPMPEB-LLVKDONJSA-N 1 0 295.339 1.640 20 5 CDBDRO O=[N+]([O-])c1c(NC[C@@H]2CSCC[NH2+]2)nc2sccn21 ZINC000603419629 344807640 /nfs/dbraw/zinc/80/76/40/344807640.db2.gz ORGQKHAXEKONKZ-SSDOTTSWSA-N 1 0 299.381 1.421 20 5 CDBDRO C[C@@H]1CC[C@@H](C[NH3+])N(CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000603435297 344808725 /nfs/dbraw/zinc/80/87/25/344808725.db2.gz XKEZBDAXEIRVIN-WOPDTQHZSA-N 1 0 281.360 1.239 20 5 CDBDRO C[C@H](O)CC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000305112621 349920345 /nfs/dbraw/zinc/92/03/45/349920345.db2.gz GQBLRLRQJXFCIR-QWRGUYRKSA-N 1 0 295.339 1.672 20 5 CDBDRO COC[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[NH2+]C1 ZINC000315300172 344944076 /nfs/dbraw/zinc/94/40/76/344944076.db2.gz KBEYJFAILHMKCX-CQSZACIVSA-N 1 0 293.323 1.468 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](O)CC2)cc1 ZINC000293052494 362528564 /nfs/dbraw/zinc/52/85/64/362528564.db2.gz HZGIWGTUKIZKDO-AWEZNQCLSA-N 1 0 264.325 1.984 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2COC[C@H]2OC)cc1[N+](=O)[O-] ZINC000573321420 362603732 /nfs/dbraw/zinc/60/37/32/362603732.db2.gz KRUSVQDYCNUSES-ZWNOBZJWSA-N 1 0 282.296 1.107 20 5 CDBDRO CCc1nn(C)c(N2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000611280786 346735036 /nfs/dbraw/zinc/73/50/36/346735036.db2.gz FHWLMQFHPUYOBU-UHFFFAOYSA-N 1 0 295.387 1.669 20 5 CDBDRO [NH3+]CCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000295602201 199583215 /nfs/dbraw/zinc/58/32/15/199583215.db2.gz FURAASDHGZHACX-UHFFFAOYSA-N 1 0 263.297 1.435 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(c2ncc([N+](=O)[O-])cn2)C[C@H]1C ZINC000612792256 347281097 /nfs/dbraw/zinc/28/10/97/347281097.db2.gz GBKKBMQOUQCICR-ZJUUUORDSA-N 1 0 265.317 1.304 20 5 CDBDRO CC(C)[NH2+][C@H]1CCCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000612779441 347281879 /nfs/dbraw/zinc/28/18/79/347281879.db2.gz VDQFWSQWSMPFRL-JTQLQIEISA-N 1 0 265.317 1.352 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000614712682 348200505 /nfs/dbraw/zinc/20/05/05/348200505.db2.gz RTFRVDUZGDSSAO-GHMZBOCLSA-N 1 0 292.339 1.390 20 5 CDBDRO CCO[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000405881635 348500328 /nfs/dbraw/zinc/50/03/28/348500328.db2.gz UBMLEVKNKZEWSY-NXEZZACHSA-N 1 0 299.352 1.092 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000066959120 349008261 /nfs/dbraw/zinc/00/82/61/349008261.db2.gz FBJUHOVXYSIDQX-UHFFFAOYSA-N 1 0 257.315 1.338 20 5 CDBDRO Cc1cnn(CC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000105881310 186082832 /nfs/dbraw/zinc/08/28/32/186082832.db2.gz VNQJRPLJSZNDDO-UHFFFAOYSA-N 1 0 260.297 1.890 20 5 CDBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])s1 ZINC000106365811 186110629 /nfs/dbraw/zinc/11/06/29/186110629.db2.gz NQRBYZKBAQVGLZ-VIFPVBQESA-N 1 0 283.353 1.776 20 5 CDBDRO C[NH2+]CCNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000167055898 362972138 /nfs/dbraw/zinc/97/21/38/362972138.db2.gz QFEVJMHABGXEOI-UHFFFAOYSA-N 1 0 289.133 1.692 20 5 CDBDRO C[C@H]([NH3+])C1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000110647307 186309420 /nfs/dbraw/zinc/30/94/20/186309420.db2.gz VSKDNIQAWYZLKV-NSHDSACASA-N 1 0 291.351 1.723 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCC[C@H]1CC[NH2+]C1 ZINC000110796112 186325215 /nfs/dbraw/zinc/32/52/15/186325215.db2.gz KRMTZEMGIHPNTG-LLVKDONJSA-N 1 0 277.324 1.253 20 5 CDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C1CC1 ZINC000079770823 350967080 /nfs/dbraw/zinc/96/70/80/350967080.db2.gz QMPGEKRZHUKGFW-CQSZACIVSA-N 1 0 264.325 1.840 20 5 CDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1(O)CCOCC1 ZINC000161491742 363079506 /nfs/dbraw/zinc/07/95/06/363079506.db2.gz NVTVMKJLTCCWBZ-UHFFFAOYSA-N 1 0 298.314 1.707 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000122657168 187044214 /nfs/dbraw/zinc/04/42/14/187044214.db2.gz PZYZWPSASVMKED-RKDXNWHRSA-N 1 0 281.287 1.556 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135239594 187810869 /nfs/dbraw/zinc/81/08/69/187810869.db2.gz FPMXTILPLDYPBH-TZMCWYRMSA-N 1 0 291.351 1.771 20 5 CDBDRO Cc1ccc(CN(C)CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000155158628 188187750 /nfs/dbraw/zinc/18/77/50/188187750.db2.gz DYKRLGDCAUOROB-UHFFFAOYSA-N 1 0 286.353 1.380 20 5 CDBDRO C[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000157305275 188308746 /nfs/dbraw/zinc/30/87/46/188308746.db2.gz UVSMIUCSEAUQFP-UHFFFAOYSA-N 1 0 278.312 1.001 20 5 CDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC(C)(C)O ZINC000160613497 188483275 /nfs/dbraw/zinc/48/32/75/188483275.db2.gz PBJXHXDADTVQEY-JTQLQIEISA-N 1 0 295.339 1.672 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365377280 363360503 /nfs/dbraw/zinc/36/05/03/363360503.db2.gz IFXVMSWSGFJCEM-JSGCOSHPSA-N 1 0 289.335 1.348 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000063192921 363374923 /nfs/dbraw/zinc/37/49/23/363374923.db2.gz OIOZEQNXEGWOHG-KOLCDFICSA-N 1 0 280.328 1.275 20 5 CDBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000272976728 192003702 /nfs/dbraw/zinc/00/37/02/192003702.db2.gz CLAVGBSJSWKFOB-SECBINFHSA-N 1 0 289.291 1.680 20 5 CDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC2CC2)cc1 ZINC000273511937 192181886 /nfs/dbraw/zinc/18/18/86/192181886.db2.gz RADBKEBLBSTSMX-UHFFFAOYSA-N 1 0 284.337 1.368 20 5 CDBDRO C[C@@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000336794987 356262313 /nfs/dbraw/zinc/26/23/13/356262313.db2.gz HAFYYICXBMFDIE-CYBMUJFWSA-N 1 0 250.298 1.845 20 5 CDBDRO CC[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273516923 192184284 /nfs/dbraw/zinc/18/42/84/192184284.db2.gz XXDSELGFRYFYLH-UHFFFAOYSA-N 1 0 284.291 1.807 20 5 CDBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000235649653 140237178 /nfs/dbraw/zinc/23/71/78/140237178.db2.gz MYLXZJPSRFLRES-GZMMTYOYSA-N 1 0 264.285 1.406 20 5 CDBDRO C[C@H](CNc1ncc([N+](=O)[O-])s1)[N@H+](C)C1CC1 ZINC000193856494 363531028 /nfs/dbraw/zinc/53/10/28/363531028.db2.gz VSDJNKSAUAOXNC-SSDOTTSWSA-N 1 0 256.331 1.946 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1cnccn1 ZINC000341371182 357239402 /nfs/dbraw/zinc/23/94/02/357239402.db2.gz NIRSYFFUCADZFS-UHFFFAOYSA-N 1 0 258.281 1.717 20 5 CDBDRO COc1ccc(OCCN2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000261886236 357337995 /nfs/dbraw/zinc/33/79/95/357337995.db2.gz RZFLHUODNLSILJ-NSHDSACASA-N 1 0 295.339 1.276 20 5 CDBDRO C[C@@H](CCNC(=O)c1[nH]ncc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000182241153 357425029 /nfs/dbraw/zinc/42/50/29/357425029.db2.gz PYBAGLMMSIAEEC-JTQLQIEISA-N 1 0 295.343 1.312 20 5 CDBDRO Cc1c(C[N@H+](C)CCC(N)=O)cccc1[N+](=O)[O-] ZINC000286618284 357589938 /nfs/dbraw/zinc/58/99/38/357589938.db2.gz XMZHDOQYLCYEFZ-UHFFFAOYSA-N 1 0 251.286 1.210 20 5 CDBDRO [NH3+]C1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000135210859 357770080 /nfs/dbraw/zinc/77/00/80/357770080.db2.gz JJBRPBQQWMLRDJ-UHFFFAOYSA-N 1 0 267.260 1.297 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@@H](O)C[NH+]2CCCCC2)nc1 ZINC000048976610 357792279 /nfs/dbraw/zinc/79/22/79/357792279.db2.gz XPGPJCYROKAJEI-GFCCVEGCSA-N 1 0 280.328 1.249 20 5 CDBDRO O=c1ccn(CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000188320569 357878845 /nfs/dbraw/zinc/87/88/45/357878845.db2.gz WNNRQXCJOFZAFA-UHFFFAOYSA-N 1 0 251.286 1.242 20 5 CDBDRO Cc1cc(NC[C@H]2CCC[N@H+]2C)ncc1[N+](=O)[O-] ZINC000220204400 358044464 /nfs/dbraw/zinc/04/44/64/358044464.db2.gz XRPYIWGQNFHVON-SNVBAGLBSA-N 1 0 250.302 1.804 20 5 CDBDRO CO[C@@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000361374550 358171278 /nfs/dbraw/zinc/17/12/78/358171278.db2.gz XRMLXHJZUDCHQD-ZWNOBZJWSA-N 1 0 293.323 1.643 20 5 CDBDRO C[C@@H]([NH3+])CCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000193255728 358278271 /nfs/dbraw/zinc/27/82/71/358278271.db2.gz IFJSRHFFSONINN-SECBINFHSA-N 1 0 263.297 1.611 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCCC[C@H]1CCC[NH2+]1 ZINC000294776919 199177174 /nfs/dbraw/zinc/17/71/74/199177174.db2.gz GKEOYMIOZIACOG-CYBMUJFWSA-N 1 0 291.351 1.786 20 5 CDBDRO COC(=O)COC[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296157035 358534737 /nfs/dbraw/zinc/53/47/37/358534737.db2.gz WHPMACHDFRDCDR-MNOVXSKESA-N 1 0 296.323 1.824 20 5 CDBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567576083 358703172 /nfs/dbraw/zinc/70/31/72/358703172.db2.gz UTCQEHFLJQRUEM-RYUDHWBXSA-N 1 0 293.323 1.282 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000186716393 358817967 /nfs/dbraw/zinc/81/79/67/358817967.db2.gz LRIMCXVAYQSSCG-ZWNOBZJWSA-N 1 0 277.324 1.631 20 5 CDBDRO [NH3+]CCC1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000070187684 358917387 /nfs/dbraw/zinc/91/73/87/358917387.db2.gz DKPSHDLIBVRUEL-UHFFFAOYSA-N 1 0 277.324 1.796 20 5 CDBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000357906760 359004643 /nfs/dbraw/zinc/00/46/43/359004643.db2.gz IXCRLDGXDQYQNI-WDEREUQCSA-N 1 0 252.318 1.912 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(N)=O)cc1[N+](=O)[O-] ZINC000035792697 359241235 /nfs/dbraw/zinc/24/12/35/359241235.db2.gz ZKUFQGKVEBSZSL-BDAKNGLRSA-N 1 0 251.286 1.428 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000112926669 359366580 /nfs/dbraw/zinc/36/65/80/359366580.db2.gz VKSPFKOPOXKDHP-UHFFFAOYSA-N 1 0 296.283 1.185 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000133212542 359372043 /nfs/dbraw/zinc/37/20/43/359372043.db2.gz RJUWUDRUNDGBNF-CYBMUJFWSA-N 1 0 277.324 1.348 20 5 CDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000050162886 359352650 /nfs/dbraw/zinc/35/26/50/359352650.db2.gz TWFMRYPGEBPXLZ-CMPLNLGQSA-N 1 0 277.324 1.713 20 5 CDBDRO C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)[NH+]1C ZINC000339623036 359418186 /nfs/dbraw/zinc/41/81/86/359418186.db2.gz MJQKKYJEJUQFMB-CHWSQXEVSA-N 1 0 293.367 1.998 20 5 CDBDRO Cc1sc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000153794796 237022554 /nfs/dbraw/zinc/02/25/54/237022554.db2.gz ATHYTKFBXPWPOH-HTQZYQBOSA-N 1 0 283.353 1.787 20 5 CDBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000050162589 359599564 /nfs/dbraw/zinc/59/95/64/359599564.db2.gz VOJWTCUKGODAEZ-YPMHNXCESA-N 1 0 291.351 1.642 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@](C)(C[NH3+])C(C)C)c1 ZINC000571873558 359642615 /nfs/dbraw/zinc/64/26/15/359642615.db2.gz QLJDPZMTZKLTMP-AWEZNQCLSA-N 1 0 295.339 1.707 20 5 CDBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCCC2)nc1 ZINC000058340821 359904408 /nfs/dbraw/zinc/90/44/08/359904408.db2.gz GSJZDGWKLODWOS-UHFFFAOYSA-N 1 0 250.302 1.888 20 5 CDBDRO COc1ccncc1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000348279025 359956762 /nfs/dbraw/zinc/95/67/62/359956762.db2.gz PJIOTVSYSYYEEJ-UHFFFAOYSA-N 1 0 293.304 1.990 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000235391762 360082052 /nfs/dbraw/zinc/08/20/52/360082052.db2.gz VPXOZNGDXKKDBE-SCZZXKLOSA-N 1 0 281.287 1.604 20 5 CDBDRO CC[NH+](CC)CCNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000166639269 360202627 /nfs/dbraw/zinc/20/26/27/360202627.db2.gz FMTRIJMEYZQUJF-UHFFFAOYSA-N 1 0 296.327 1.530 20 5 CDBDRO C[C@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000298878042 200554660 /nfs/dbraw/zinc/55/46/60/200554660.db2.gz XNFNJXGWYSVVCU-LLVKDONJSA-N 1 0 295.339 1.430 20 5 CDBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000177528797 238308889 /nfs/dbraw/zinc/30/88/89/238308889.db2.gz NSFCLAQWBJOQLK-UWVGGRQHSA-N 1 0 281.312 1.790 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@H+](Cc2cccnc2)C2CC2)n1 ZINC000180724634 189271834 /nfs/dbraw/zinc/27/18/34/189271834.db2.gz VTFQOHOBJOJXLG-UHFFFAOYSA-N 1 0 287.323 1.851 20 5 CDBDRO CC[C@H](C)[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000183092371 189346495 /nfs/dbraw/zinc/34/64/95/189346495.db2.gz XOYJWTISAJOIAA-QWRGUYRKSA-N 1 0 267.329 1.781 20 5 CDBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000290186267 364071296 /nfs/dbraw/zinc/07/12/96/364071296.db2.gz MALRLORRRSQDKU-NSHDSACASA-N 1 0 297.359 1.028 20 5 CDBDRO CCc1ccc(C(=O)N2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000237137974 364053890 /nfs/dbraw/zinc/05/38/90/364053890.db2.gz STYTZNZXMSQFNB-NSHDSACASA-N 1 0 263.297 1.330 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC1CCCC1 ZINC000174835691 364582375 /nfs/dbraw/zinc/58/23/75/364582375.db2.gz BKOFNKWPFALQBL-UHFFFAOYSA-N 1 0 252.318 1.913 20 5 CDBDRO CC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000035011569 364615314 /nfs/dbraw/zinc/61/53/14/364615314.db2.gz FNVVUMXMRIXJDQ-UHFFFAOYSA-N 1 0 277.324 1.695 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000104223278 364645738 /nfs/dbraw/zinc/64/57/38/364645738.db2.gz PORBBVKIYVDJDM-JTQLQIEISA-N 1 0 251.286 1.370 20 5 CDBDRO COCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000133619959 364908925 /nfs/dbraw/zinc/90/89/25/364908925.db2.gz QAXSNJSWSOSCGT-UHFFFAOYSA-N 1 0 294.355 1.821 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH+](C)C)c1 ZINC000293748635 364989025 /nfs/dbraw/zinc/98/90/25/364989025.db2.gz LZYKZIHCZFFRRS-LLVKDONJSA-N 1 0 279.340 1.831 20 5 CDBDRO CC(C)OC[C@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192707724 365172541 /nfs/dbraw/zinc/17/25/41/365172541.db2.gz XISHOJYKQZFPJI-CYBMUJFWSA-N 1 0 282.340 1.813 20 5 CDBDRO C[C@]1(CO)CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000546104638 365207694 /nfs/dbraw/zinc/20/76/94/365207694.db2.gz MFJHBHRLOZWIER-CQSZACIVSA-N 1 0 280.324 1.820 20 5 CDBDRO Cc1c(C(=O)NC[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000133690187 365342156 /nfs/dbraw/zinc/34/21/56/365342156.db2.gz NCBCLQMANBOECY-SNVBAGLBSA-N 1 0 263.297 1.243 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2CO)cc1F ZINC000094774404 367001790 /nfs/dbraw/zinc/00/17/90/367001790.db2.gz MZNXLBXGNJAOBC-SNVBAGLBSA-N 1 0 254.261 1.691 20 5 CDBDRO C[C@@]1(F)C[NH2+]CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000414765808 241375031 /nfs/dbraw/zinc/37/50/31/241375031.db2.gz GGFUGEQCRCXJAG-CYBMUJFWSA-N 1 0 267.304 1.728 20 5 CDBDRO C[C@@]1(F)C[NH2+]CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000414766266 241375396 /nfs/dbraw/zinc/37/53/96/241375396.db2.gz HJSYPTNQYDAYAQ-CYBMUJFWSA-N 1 0 267.304 1.728 20 5 CDBDRO C[N@H+]1CC=C(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000271925312 367036499 /nfs/dbraw/zinc/03/64/99/367036499.db2.gz LGFYYMRAMAIOIX-UHFFFAOYSA-N 1 0 290.323 1.169 20 5 CDBDRO COc1cc(C[NH2+][C@@H]2CCSC2)c([N+](=O)[O-])cc1O ZINC000271972784 367045525 /nfs/dbraw/zinc/04/55/25/367045525.db2.gz WYNMFHBNWMOQLB-SECBINFHSA-N 1 0 284.337 1.904 20 5 CDBDRO CC(C)[C@H]([NH3+])CNCc1ccc([N+](=O)[O-])cc1F ZINC000414802276 241396243 /nfs/dbraw/zinc/39/62/43/241396243.db2.gz VKUBYLAJHGQDIK-GFCCVEGCSA-N 1 0 255.293 1.807 20 5 CDBDRO Cc1c(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000090321564 367031051 /nfs/dbraw/zinc/03/10/51/367031051.db2.gz OKNKDKQJMIRXDN-PHIMTYICSA-N 1 0 275.308 1.195 20 5 CDBDRO C[C@H](NC(=O)N[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000417136945 242333597 /nfs/dbraw/zinc/33/35/97/242333597.db2.gz LQHLGDHXZGTONQ-ONGXEEELSA-N 1 0 278.312 1.317 20 5 CDBDRO C[C@@H](NC(=O)NC[C@@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000417145703 242336095 /nfs/dbraw/zinc/33/60/95/242336095.db2.gz XHPSUQGQUWAYLE-NOZJJQNGSA-N 1 0 292.339 1.692 20 5 CDBDRO C[C@@H](NC(=O)NCC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417146124 242336713 /nfs/dbraw/zinc/33/67/13/242336713.db2.gz XRVHJDRCINECGA-SECBINFHSA-N 1 0 280.328 1.692 20 5 CDBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000133636824 283981413 /nfs/dbraw/zinc/98/14/13/283981413.db2.gz FSXHEGOMCNHUPD-MRVPVSSYSA-N 1 0 283.715 1.588 20 5 CDBDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000272492322 367742959 /nfs/dbraw/zinc/74/29/59/367742959.db2.gz CIMOWLKHOZVOJD-NXEZZACHSA-N 1 0 291.307 1.939 20 5 CDBDRO CN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000301187202 368221486 /nfs/dbraw/zinc/22/14/86/368221486.db2.gz KEMSGYFAJNPMKC-UHFFFAOYSA-N 1 0 250.302 1.522 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000330571926 202987106 /nfs/dbraw/zinc/98/71/06/202987106.db2.gz DFQQCMJQDHVNAP-NWDGAFQWSA-N 1 0 291.351 1.688 20 5 CDBDRO NC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000089108857 368973854 /nfs/dbraw/zinc/97/38/54/368973854.db2.gz VMFWNJYDEBTUMT-GHMZBOCLSA-N 1 0 292.339 1.623 20 5 CDBDRO Cc1nc(N2CCC[C@H](C)[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000420181146 243906515 /nfs/dbraw/zinc/90/65/15/243906515.db2.gz DRVDEORIJWZOLF-WCBMZHEXSA-N 1 0 265.317 1.257 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000420294324 244038164 /nfs/dbraw/zinc/03/81/64/244038164.db2.gz ZAUFNRSGWNKEFY-UWVGGRQHSA-N 1 0 250.302 1.341 20 5 CDBDRO C[NH2+]CCN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000420333368 244100395 /nfs/dbraw/zinc/10/03/95/244100395.db2.gz DHKSJBZYIPSURW-UHFFFAOYSA-N 1 0 253.302 1.125 20 5 CDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[NH2+]C1 ZINC000414891791 369280982 /nfs/dbraw/zinc/28/09/82/369280982.db2.gz XFRKMASMJYXUPX-CMPLNLGQSA-N 1 0 292.339 1.263 20 5 CDBDRO CCc1n[nH]c(C(=O)NCC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000276118132 193218372 /nfs/dbraw/zinc/21/83/72/193218372.db2.gz YOHBKEOVNPCICF-UHFFFAOYSA-N 1 0 295.343 1.094 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000330888256 203355474 /nfs/dbraw/zinc/35/54/74/203355474.db2.gz GDGBOWNOUGOZBW-WCQYABFASA-N 1 0 291.351 1.736 20 5 CDBDRO Cc1cc(C(=O)N[C@H](C)CCC[NH3+])c(N)c([N+](=O)[O-])c1 ZINC000295333620 369961781 /nfs/dbraw/zinc/96/17/81/369961781.db2.gz XTSHFGPNFOLAER-SECBINFHSA-N 1 0 280.328 1.343 20 5 CDBDRO C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000037729871 370011728 /nfs/dbraw/zinc/01/17/28/370011728.db2.gz KRZOCTROZNCIGI-SECBINFHSA-N 1 0 280.284 1.867 20 5 CDBDRO CC[C@H](CO)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000295601918 370516108 /nfs/dbraw/zinc/51/61/08/370516108.db2.gz CKDFKSOQBKGSKY-NEPJUHHUSA-N 1 0 298.339 1.037 20 5 CDBDRO C[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000441449366 370554051 /nfs/dbraw/zinc/55/40/51/370554051.db2.gz QIIZCBOZJKMTJO-NQBHXWOUSA-N 1 0 282.344 1.273 20 5 CDBDRO Cc1c(CC(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cccc1[N+](=O)[O-] ZINC000422832106 245311727 /nfs/dbraw/zinc/31/17/27/245311727.db2.gz XOKZRQIBCSGUSA-GHMZBOCLSA-N 1 0 291.351 1.655 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000422857756 245341900 /nfs/dbraw/zinc/34/19/00/245341900.db2.gz YZKYKGWWDCNNBX-GFCCVEGCSA-N 1 0 279.340 1.925 20 5 CDBDRO COc1cc(C(=O)N2CCC[C@@H]2C[NH3+])cc([N+](=O)[O-])c1C ZINC000422884678 245370229 /nfs/dbraw/zinc/37/02/29/245370229.db2.gz SOTCTHJFZHSRLA-LLVKDONJSA-N 1 0 293.323 1.475 20 5 CDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(C)(C)CO ZINC000295305225 371205860 /nfs/dbraw/zinc/20/58/60/371205860.db2.gz VHFVATSANROOMK-UHFFFAOYSA-N 1 0 282.340 1.924 20 5 CDBDRO C[C@](C[NH3+])(NC(=O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000237595302 371732738 /nfs/dbraw/zinc/73/27/38/371732738.db2.gz ZRYOWBBEGSHGFL-CQSZACIVSA-N 1 0 293.323 1.217 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000237413192 189875207 /nfs/dbraw/zinc/87/52/07/189875207.db2.gz XUQDFAFYHBNTOU-NSHDSACASA-N 1 0 294.355 1.593 20 5 CDBDRO Cc1n[nH]c(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000356742787 373044962 /nfs/dbraw/zinc/04/49/62/373044962.db2.gz NIFPHKWUJJOYTO-QMMMGPOBSA-N 1 0 283.332 1.085 20 5 CDBDRO Cc1cccc(C(=O)NC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000298355493 373511066 /nfs/dbraw/zinc/51/10/66/373511066.db2.gz NYXNUQBTLBBFPR-JTQLQIEISA-N 1 0 265.313 1.583 20 5 CDBDRO C[NH2+]CCCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000418282927 374259211 /nfs/dbraw/zinc/25/92/11/374259211.db2.gz YZOXASDJIWFFLN-UHFFFAOYSA-N 1 0 294.355 1.739 20 5 CDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCC[NH+]1CCCC1 ZINC000078426863 374310341 /nfs/dbraw/zinc/31/03/41/374310341.db2.gz WCPRIQMYNXOGPL-UHFFFAOYSA-N 1 0 293.323 1.186 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000161618113 374358439 /nfs/dbraw/zinc/35/84/39/374358439.db2.gz MRQNPNNPFFHCPU-MNOVXSKESA-N 1 0 263.297 1.595 20 5 CDBDRO COc1cccc(C(=O)N2CC[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC000422838990 374361934 /nfs/dbraw/zinc/36/19/34/374361934.db2.gz PJRZNIZVQWBBDW-SECBINFHSA-N 1 0 279.296 1.037 20 5 CDBDRO [NH3+][C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000422940355 374363693 /nfs/dbraw/zinc/36/36/93/374363693.db2.gz SPELUAMETYCKDV-CYBMUJFWSA-N 1 0 292.339 1.250 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NCCc1cccc([N+](=O)[O-])c1 ZINC000423011837 374366883 /nfs/dbraw/zinc/36/68/83/374366883.db2.gz JMEWHZSUOWZDEK-BXUZGUMPSA-N 1 0 263.341 1.725 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000423539839 374390305 /nfs/dbraw/zinc/39/03/05/374390305.db2.gz CCMPOUFPXGFKQS-TVQRCGJNSA-N 1 0 291.351 1.939 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000377283861 374594550 /nfs/dbraw/zinc/59/45/50/374594550.db2.gz VKFJUNUDLPNFAM-HNNXBMFYSA-N 1 0 292.335 1.950 20 5 CDBDRO NC(=O)[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000069920988 374631602 /nfs/dbraw/zinc/63/16/02/374631602.db2.gz ZNUUKNSHDBGXQV-GFCCVEGCSA-N 1 0 263.297 1.087 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000070447237 374662401 /nfs/dbraw/zinc/66/24/01/374662401.db2.gz NAMSLXGSUIGONS-LLVKDONJSA-N 1 0 265.313 1.616 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000070447187 374662650 /nfs/dbraw/zinc/66/26/50/374662650.db2.gz OGFNBVNFNWNYRV-GUOLPTJISA-N 1 0 277.324 1.708 20 5 CDBDRO C[C@H](CC(N)=O)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447582107 374703818 /nfs/dbraw/zinc/70/38/18/374703818.db2.gz XZECIVWUHIUWNP-NOZJJQNGSA-N 1 0 277.324 1.826 20 5 CDBDRO CCC[NH2+]CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000154538196 374708122 /nfs/dbraw/zinc/70/81/22/374708122.db2.gz FFWWKVZUPWPHFG-UHFFFAOYSA-N 1 0 281.312 1.089 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnnn1C ZINC000449330136 374799431 /nfs/dbraw/zinc/79/94/31/374799431.db2.gz SBJKRXRPUFRTNS-JTQLQIEISA-N 1 0 275.312 1.444 20 5 CDBDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000449452688 374810551 /nfs/dbraw/zinc/81/05/51/374810551.db2.gz GOESELMNBHZCOV-QWRGUYRKSA-N 1 0 286.353 1.797 20 5 CDBDRO CC(C)[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331246088 374914726 /nfs/dbraw/zinc/91/47/26/374914726.db2.gz MCHRFLQFUKGXMN-QWHCGFSZSA-N 1 0 282.344 1.273 20 5 CDBDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000280120391 374982091 /nfs/dbraw/zinc/98/20/91/374982091.db2.gz BOYJWCPQADMOON-LLVKDONJSA-N 1 0 269.326 1.354 20 5 CDBDRO CC1=CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000280820738 375026646 /nfs/dbraw/zinc/02/66/46/375026646.db2.gz NHPXGRHBZJLHIL-CQSZACIVSA-N 1 0 292.335 1.987 20 5 CDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]1C[NH3+] ZINC000156100151 375028850 /nfs/dbraw/zinc/02/88/50/375028850.db2.gz JCMPQQHLSMHHBY-JTQLQIEISA-N 1 0 299.352 1.015 20 5 CDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000096268550 375068997 /nfs/dbraw/zinc/06/89/97/375068997.db2.gz AVFMWJKSTATNHU-TXEJJXNPSA-N 1 0 275.308 1.228 20 5 CDBDRO Cc1cc(F)c(NC(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000284009847 375128584 /nfs/dbraw/zinc/12/85/84/375128584.db2.gz NTJMVQBQAHBYDA-UHFFFAOYSA-N 1 0 284.291 1.725 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000131576367 375290466 /nfs/dbraw/zinc/29/04/66/375290466.db2.gz PXTJVIOTSMQCNR-WCQYABFASA-N 1 0 263.341 1.806 20 5 CDBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000344724276 375291327 /nfs/dbraw/zinc/29/13/27/375291327.db2.gz QRSIBJCAPUNNSG-JTQLQIEISA-N 1 0 295.343 1.168 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000049095704 375402380 /nfs/dbraw/zinc/40/23/80/375402380.db2.gz OZQZELDTZGMBEQ-SNVBAGLBSA-N 1 0 281.287 1.558 20 5 CDBDRO CC[N@H+](CCNc1c([N+](=O)[O-])c(C)nn1C)C1CC1 ZINC000227009887 375415018 /nfs/dbraw/zinc/41/50/18/375415018.db2.gz MGUCFRXIIWOGQA-UHFFFAOYSA-N 1 0 267.333 1.533 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000132607251 375539405 /nfs/dbraw/zinc/53/94/05/375539405.db2.gz DSVMSVFNAKAJSP-NSHDSACASA-N 1 0 281.287 1.558 20 5 CDBDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000352798875 375540723 /nfs/dbraw/zinc/54/07/23/375540723.db2.gz DTJBZJREJKCYPG-KCJUWKMLSA-N 1 0 295.364 1.535 20 5 CDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1C ZINC000353235798 375589639 /nfs/dbraw/zinc/58/96/39/375589639.db2.gz SAHFLBLJUASLAS-NXEZZACHSA-N 1 0 295.343 1.263 20 5 CDBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000353439573 375609537 /nfs/dbraw/zinc/60/95/37/375609537.db2.gz MMELXXIVHDALNL-RNCFNFMXSA-N 1 0 295.339 1.593 20 5 CDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000354008314 375667186 /nfs/dbraw/zinc/66/71/86/375667186.db2.gz SEOKFMQWRDXQBJ-LLVKDONJSA-N 1 0 277.324 1.761 20 5 CDBDRO [NH3+]CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C(F)F ZINC000383456595 375708199 /nfs/dbraw/zinc/70/81/99/375708199.db2.gz IPFUMVLFUYHNAD-VIFPVBQESA-N 1 0 291.229 1.446 20 5 CDBDRO C[C@@H]1[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000354621750 375733643 /nfs/dbraw/zinc/73/36/43/375733643.db2.gz YTJHRKMULTZRHW-SKDRFNHKSA-N 1 0 293.323 1.513 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000428521295 247321030 /nfs/dbraw/zinc/32/10/30/247321030.db2.gz ITWIRYNHAZHRGK-NSHDSACASA-N 1 0 293.323 1.171 20 5 CDBDRO C[C@H](C1CCC1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000357034811 375877468 /nfs/dbraw/zinc/87/74/68/375877468.db2.gz JHICATZRYJFNIW-MFKMUULPSA-N 1 0 282.344 1.273 20 5 CDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+]CC1 ZINC000032053161 375869958 /nfs/dbraw/zinc/86/99/58/375869958.db2.gz PENLQWZYYHAGGC-SNVBAGLBSA-N 1 0 295.364 1.507 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261588731 190040975 /nfs/dbraw/zinc/04/09/75/190040975.db2.gz KIIPEDSQXRGLAQ-BDAKNGLRSA-N 1 0 265.269 1.012 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261612062 190041500 /nfs/dbraw/zinc/04/15/00/190041500.db2.gz FCRJWOZZSDMRNU-WCQYABFASA-N 1 0 289.335 1.727 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000261702270 190042699 /nfs/dbraw/zinc/04/26/99/190042699.db2.gz OIEXKKSJVQOZRJ-YPMHNXCESA-N 1 0 289.335 1.727 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261716301 190042701 /nfs/dbraw/zinc/04/27/01/190042701.db2.gz POYNOJQGWZQGSW-UEKVPHQBSA-N 1 0 291.351 1.640 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261690658 190042943 /nfs/dbraw/zinc/04/29/43/190042943.db2.gz NGJDMLSMXUXLDA-JSGCOSHPSA-N 1 0 289.335 1.348 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000261791009 190044356 /nfs/dbraw/zinc/04/43/56/190044356.db2.gz QXNWMPHXSICHCO-ZCFIWIBFSA-N 1 0 257.315 1.302 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000261994604 190046272 /nfs/dbraw/zinc/04/62/72/190046272.db2.gz AGFKAEHWPKDJFF-SNVBAGLBSA-N 1 0 292.339 1.249 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000262816219 190063535 /nfs/dbraw/zinc/06/35/35/190063535.db2.gz RXKUDBGHQMBLKS-VHSXEESVSA-N 1 0 263.297 1.417 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000262979622 190065761 /nfs/dbraw/zinc/06/57/61/190065761.db2.gz YNZFPVJZXGNCTB-WDEREUQCSA-N 1 0 293.323 1.230 20 5 CDBDRO CCc1ccc(C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262739780 190061935 /nfs/dbraw/zinc/06/19/35/190061935.db2.gz DMVHEIIMDPOANI-WDEREUQCSA-N 1 0 291.351 1.980 20 5 CDBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264023951 190089889 /nfs/dbraw/zinc/08/98/89/190089889.db2.gz HTEQUDSDQBYGDM-UHFFFAOYSA-N 1 0 280.328 1.337 20 5 CDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000264436542 190109442 /nfs/dbraw/zinc/10/94/42/190109442.db2.gz BGJXDPDYJGNJMQ-NSHDSACASA-N 1 0 293.323 1.045 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000066944937 376683388 /nfs/dbraw/zinc/68/33/88/376683388.db2.gz SPWAPCKTXNPXDJ-LLVKDONJSA-N 1 0 293.323 1.888 20 5 CDBDRO Cc1cccc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)c1[N+](=O)[O-] ZINC000189314464 377231111 /nfs/dbraw/zinc/23/11/11/377231111.db2.gz KTYZBEQYXKTDNX-CMPLNLGQSA-N 1 0 277.324 1.774 20 5 CDBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000173494468 378481380 /nfs/dbraw/zinc/48/13/80/378481380.db2.gz WOIDLNLAVXMILT-NSHDSACASA-N 1 0 296.323 1.439 20 5 CDBDRO C[C@H](CO)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000266137540 190233590 /nfs/dbraw/zinc/23/35/90/190233590.db2.gz GCRSKEDYCHBBHI-SNVBAGLBSA-N 1 0 290.323 1.466 20 5 CDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000069847263 378915739 /nfs/dbraw/zinc/91/57/39/378915739.db2.gz MYDFHETVNOUFHN-NSHDSACASA-N 1 0 296.346 1.782 20 5 CDBDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000443332464 250024188 /nfs/dbraw/zinc/02/41/88/250024188.db2.gz HSYFZBQSPODMIG-IJLUTSLNSA-N 1 0 282.344 1.273 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000444152250 250089747 /nfs/dbraw/zinc/08/97/47/250089747.db2.gz MLTRDZMZKRPWCY-VZJVUDMVSA-N 1 0 289.335 1.772 20 5 CDBDRO CCC[C@]1(CO)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000444767742 250184966 /nfs/dbraw/zinc/18/49/66/250184966.db2.gz ULYOQJRUGYFFSX-CYBMUJFWSA-N 1 0 282.344 1.418 20 5 CDBDRO C[C@@H](CO)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447580321 250390637 /nfs/dbraw/zinc/39/06/37/250390637.db2.gz NUYTVSIOYCPITI-HBNTYKKESA-N 1 0 268.317 1.245 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCCCO1 ZINC000267045055 190299394 /nfs/dbraw/zinc/29/93/94/190299394.db2.gz DXYGJIUTSOEKDQ-LLVKDONJSA-N 1 0 268.317 1.292 20 5 CDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000268152336 190381000 /nfs/dbraw/zinc/38/10/00/190381000.db2.gz MYDWIOGWVOJPOV-WCBMZHEXSA-N 1 0 265.317 1.223 20 5 CDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000268206098 190386180 /nfs/dbraw/zinc/38/61/80/190386180.db2.gz JSBBNXVKPXSPGV-IINYFYTJSA-N 1 0 289.335 1.807 20 5 CDBDRO Cc1c(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000382452971 412953204 /nfs/dbraw/zinc/95/32/04/412953204.db2.gz OHEHJEHCMNOJHJ-GHMZBOCLSA-N 1 0 277.324 1.760 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000451425441 251708450 /nfs/dbraw/zinc/70/84/50/251708450.db2.gz UEBQIIFQGOTRLG-MGPQQGTHSA-N 1 0 294.355 1.417 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000453429237 252317950 /nfs/dbraw/zinc/31/79/50/252317950.db2.gz QFWRUVSHDSYSJL-IAQYHMDHSA-N 1 0 291.351 1.784 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107571814 285091015 /nfs/dbraw/zinc/09/10/15/285091015.db2.gz XLQQLGBHUHTLRV-DTORHVGOSA-N 1 0 267.716 1.904 20 5 CDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]1 ZINC000493044182 253354508 /nfs/dbraw/zinc/35/45/08/253354508.db2.gz GWFTVJCQPBJLGS-RNZFLTOJSA-N 1 0 293.298 1.615 20 5 CDBDRO CC(C)(C[NH2+]Cc1csc([N+](=O)[O-])c1)OCCO ZINC000288490565 197093316 /nfs/dbraw/zinc/09/33/16/197093316.db2.gz QUVSDCGFGVZKLP-UHFFFAOYSA-N 1 0 274.342 1.533 20 5 CDBDRO COC[C@@](C)(O)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000394617003 390188951 /nfs/dbraw/zinc/18/89/51/390188951.db2.gz WHJMTVHRLYSOPT-ZDUSSCGKSA-N 1 0 284.312 1.090 20 5 CDBDRO CC(C)[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000048559007 390448775 /nfs/dbraw/zinc/44/87/75/390448775.db2.gz LKFGSAAZSLNOLL-UHFFFAOYSA-N 1 0 265.313 1.333 20 5 CDBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C12CCC2 ZINC000451474913 390625740 /nfs/dbraw/zinc/62/57/40/390625740.db2.gz QZCHILLHNHNQNG-VXGBXAGGSA-N 1 0 294.355 1.766 20 5 CDBDRO C[C@@H](C[NH3+])N(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000430919296 390942367 /nfs/dbraw/zinc/94/23/67/390942367.db2.gz QCDFMJOIGUKFFV-JTQLQIEISA-N 1 0 253.302 1.253 20 5 CDBDRO Cc1cc(N[C@@H]2CCC[C@@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000092027814 291967042 /nfs/dbraw/zinc/96/70/42/291967042.db2.gz XHDCNGMPMFPEOO-NXEZZACHSA-N 1 0 250.302 1.838 20 5 CDBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC1C[NH2+]C1 ZINC000517098727 390968245 /nfs/dbraw/zinc/96/82/45/390968245.db2.gz JGTWLBFFWQUWMC-UHFFFAOYSA-N 1 0 298.730 1.062 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000063192669 391161814 /nfs/dbraw/zinc/16/18/14/391161814.db2.gz RCNQYWNRIXBHTD-MFKMUULPSA-N 1 0 277.324 1.937 20 5 CDBDRO CC(C)(CC(N)=O)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000186241700 391217996 /nfs/dbraw/zinc/21/79/96/391217996.db2.gz FZLBGPVXRKXFSW-UHFFFAOYSA-N 1 0 269.276 1.478 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000092135519 391225014 /nfs/dbraw/zinc/22/50/14/391225014.db2.gz MRVOYLRMHGGVJK-SNVBAGLBSA-N 1 0 265.313 1.109 20 5 CDBDRO Cc1nc(NCC[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000413443891 391214823 /nfs/dbraw/zinc/21/48/23/391214823.db2.gz ROJXQIVOAFIUJJ-LBPRGKRZSA-N 1 0 278.356 1.864 20 5 CDBDRO C[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000122908969 391357696 /nfs/dbraw/zinc/35/76/96/391357696.db2.gz KNBRVIXZTVHXBT-YUMQZZPRSA-N 1 0 270.720 1.830 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000415499207 391467642 /nfs/dbraw/zinc/46/76/42/391467642.db2.gz JVWBPZNEGITGQP-QMMMGPOBSA-N 1 0 282.300 1.414 20 5 CDBDRO CC(C)(C(=O)N1CCC[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000269110125 391520300 /nfs/dbraw/zinc/52/03/00/391520300.db2.gz ICXOTRAFLHCCNZ-GFCCVEGCSA-N 1 0 291.351 1.822 20 5 CDBDRO Cc1c(CC(=O)NCCC[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000567900698 391547094 /nfs/dbraw/zinc/54/70/94/391547094.db2.gz MGAWWYAOWKXEQF-UHFFFAOYSA-N 1 0 291.351 1.704 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000437758733 391496864 /nfs/dbraw/zinc/49/68/64/391496864.db2.gz ALGPAJSLVMHQOW-BETUJISGSA-N 1 0 261.325 1.921 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000343611637 391635950 /nfs/dbraw/zinc/63/59/50/391635950.db2.gz KXLGJQDOEZDFBU-ZIAGYGMSSA-N 1 0 289.335 1.614 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000129253972 391640638 /nfs/dbraw/zinc/64/06/38/391640638.db2.gz AOHZWMGGUYXBNO-VVTYTDBCSA-N 1 0 289.335 1.946 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCCNC1=O ZINC000449073905 391677768 /nfs/dbraw/zinc/67/77/68/391677768.db2.gz JOJCDANUILZEQH-YPMHNXCESA-N 1 0 291.351 1.784 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000132773606 391900927 /nfs/dbraw/zinc/90/09/27/391900927.db2.gz DZBFUTHNINRRRV-LLVKDONJSA-N 1 0 285.731 1.961 20 5 CDBDRO CN(Cc1c([N+](=O)[O-])ncn1C)C[C@H]1CCC[N@H+](C)C1 ZINC000355331450 391931042 /nfs/dbraw/zinc/93/10/42/391931042.db2.gz FPGLSCBIUWNRGI-NSHDSACASA-N 1 0 281.360 1.102 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000122320065 392526318 /nfs/dbraw/zinc/52/63/18/392526318.db2.gz HDKKCBSZMYWKAD-LLVKDONJSA-N 1 0 263.297 1.467 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000459771058 392505733 /nfs/dbraw/zinc/50/57/33/392505733.db2.gz HEXFEBUQLAZOBA-ADEWGFFLSA-N 1 0 250.302 1.570 20 5 CDBDRO C[C@@H]1C[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000488570205 392697918 /nfs/dbraw/zinc/69/79/18/392697918.db2.gz CYMYJSNRUVTBEG-GHMZBOCLSA-N 1 0 298.364 1.614 20 5 CDBDRO CN(CCn1ccc([N+](=O)[O-])n1)C(C)(C)C[NH+]1CCCC1 ZINC000419380147 392891665 /nfs/dbraw/zinc/89/16/65/392891665.db2.gz USVMSSCGHJNHHO-UHFFFAOYSA-N 1 0 295.387 1.598 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000420232224 392910455 /nfs/dbraw/zinc/91/04/55/392910455.db2.gz BOBJWWFLPJHHND-JGVFFNPUSA-N 1 0 254.265 1.811 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000368588240 392936700 /nfs/dbraw/zinc/93/67/00/392936700.db2.gz DFFRFEJGVBLZHP-ZWNOBZJWSA-N 1 0 290.323 1.156 20 5 CDBDRO COc1cc(C(=O)NC[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1C ZINC000423542598 392964010 /nfs/dbraw/zinc/96/40/10/392964010.db2.gz BHNQWMHBMXLHDF-JTQLQIEISA-N 1 0 293.323 1.251 20 5 CDBDRO COCCNCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423331672 392961728 /nfs/dbraw/zinc/96/17/28/392961728.db2.gz MTTUFMUFABNKAU-LBPRGKRZSA-N 1 0 281.356 1.351 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](C)[NH3+])c1 ZINC000423676308 392965814 /nfs/dbraw/zinc/96/58/14/392965814.db2.gz IRKMGOJXVOVUNF-RKDXNWHRSA-N 1 0 281.312 1.459 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[NH3+])c1 ZINC000194909562 393009533 /nfs/dbraw/zinc/00/95/33/393009533.db2.gz GFRBUUOESKVFIW-SSDOTTSWSA-N 1 0 269.326 1.394 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000194910999 393009725 /nfs/dbraw/zinc/00/97/25/393009725.db2.gz YUOHKDRCILRNCK-VIFPVBQESA-N 1 0 279.340 1.969 20 5 CDBDRO Cc1cc(OCC(=O)NC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000431360957 393108820 /nfs/dbraw/zinc/10/88/20/393108820.db2.gz DVIZOLCWAZIGLZ-LLVKDONJSA-N 1 0 295.339 1.348 20 5 CDBDRO COC[C@H](O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449157588 393131215 /nfs/dbraw/zinc/13/12/15/393131215.db2.gz QQDNVFVLUUCVOE-ZYHUDNBSSA-N 1 0 268.313 1.123 20 5 CDBDRO CCN1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000391634206 393149671 /nfs/dbraw/zinc/14/96/71/393149671.db2.gz MFJLWKIIUDWVQR-JQWIXIFHSA-N 1 0 277.324 1.866 20 5 CDBDRO C[C@H]1CCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000281889993 393160783 /nfs/dbraw/zinc/16/07/83/393160783.db2.gz AVYFTZCJIDEGDF-JQWIXIFHSA-N 1 0 265.313 1.535 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1ccc([N+](=O)[O-])cc1 ZINC000281917162 393163008 /nfs/dbraw/zinc/16/30/08/393163008.db2.gz AIOHMIYJVSBEIM-ZJUUUORDSA-N 1 0 283.303 1.720 20 5 CDBDRO C[NH+](C)C1CN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000297645649 393281282 /nfs/dbraw/zinc/28/12/82/393281282.db2.gz YAINFLVTDPZVAX-UHFFFAOYSA-N 1 0 272.308 1.893 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000131840485 139843779 /nfs/dbraw/zinc/84/37/79/139843779.db2.gz TZDGCLPBILENDI-VHSXEESVSA-N 1 0 263.297 1.404 20 5 CDBDRO O=C(C[C@@H]1CCC[NH2+]1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000178567642 140006493 /nfs/dbraw/zinc/00/64/93/140006493.db2.gz YSKOEPOQLKWJOC-JTQLQIEISA-N 1 0 275.308 1.626 20 5 CDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCSCC1 ZINC000187379570 140078213 /nfs/dbraw/zinc/07/82/13/140078213.db2.gz BDFMFWVIXSNSJO-SNVBAGLBSA-N 1 0 284.385 1.913 20 5 CDBDRO CCOc1cc(NC[C@](C)(O)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000228668605 140196617 /nfs/dbraw/zinc/19/66/17/140196617.db2.gz BUMHLEZGHUWKHF-AWEZNQCLSA-N 1 0 297.355 1.718 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[NH2+]CC1 ZINC000232237107 140221751 /nfs/dbraw/zinc/22/17/51/140221751.db2.gz BEJHETYGCULEJQ-GFCCVEGCSA-N 1 0 277.324 1.396 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)CC(C)(C)C[NH3+] ZINC000261573532 140352235 /nfs/dbraw/zinc/35/22/35/140352235.db2.gz ASYDZWNIWVIXNH-UHFFFAOYSA-N 1 0 269.349 1.541 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000261672096 140372856 /nfs/dbraw/zinc/37/28/56/140372856.db2.gz LLXSKTIUCAHKKG-UHFFFAOYSA-N 1 0 292.339 1.529 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261818661 140393722 /nfs/dbraw/zinc/39/37/22/140393722.db2.gz TWRXIJAOVUJKLU-WDEREUQCSA-N 1 0 275.308 1.276 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000261815332 140394012 /nfs/dbraw/zinc/39/40/12/140394012.db2.gz XHTSCPQNCQSYRI-GHMZBOCLSA-N 1 0 290.323 1.668 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261612042 296511827 /nfs/dbraw/zinc/51/18/27/296511827.db2.gz FCPRDWJPJADNOM-NSHDSACASA-N 1 0 294.330 1.218 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccncc2)C2CC2)c1 ZINC000093221552 147039084 /nfs/dbraw/zinc/03/90/84/147039084.db2.gz XEELDTKLINWFAE-UHFFFAOYSA-N 1 0 287.323 1.851 20 5 CDBDRO CO[C@@]1(C)C[C@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000176286909 148035165 /nfs/dbraw/zinc/03/51/65/148035165.db2.gz LACHCSMGLCKJRI-FZMZJTMJSA-N 1 0 296.371 1.927 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000262231066 149037703 /nfs/dbraw/zinc/03/77/03/149037703.db2.gz QJERIFGRMZNUQO-UHFFFAOYSA-N 1 0 280.328 1.424 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000262424802 149062188 /nfs/dbraw/zinc/06/21/88/149062188.db2.gz CIYOTPDGAIOAQE-SNVBAGLBSA-N 1 0 265.313 1.631 20 5 CDBDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000310918324 149204630 /nfs/dbraw/zinc/20/46/30/149204630.db2.gz GRDMKISSMRBSPB-RKDXNWHRSA-N 1 0 256.277 1.983 20 5 CDBDRO Cc1c(C[NH2+][C@@H](C)CC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000312450814 149231429 /nfs/dbraw/zinc/23/14/29/149231429.db2.gz UZYFAVRKOCJLGC-JTQLQIEISA-N 1 0 279.340 1.860 20 5 CDBDRO Cc1c(C[NH2+][C@H](C)CC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000312450816 149231473 /nfs/dbraw/zinc/23/14/73/149231473.db2.gz UZYFAVRKOCJLGC-SNVBAGLBSA-N 1 0 279.340 1.860 20 5 CDBDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449727625 286232402 /nfs/dbraw/zinc/23/24/02/286232402.db2.gz QVSZPKMRIXPUTE-NJZAAPMLSA-N 1 0 294.351 1.919 20 5 CDBDRO Cc1c(C(=O)N[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000346131796 153064229 /nfs/dbraw/zinc/06/42/29/153064229.db2.gz HXJQXQLVCOCKGI-SECBINFHSA-N 1 0 265.313 1.583 20 5 CDBDRO Cc1cccc(C(=O)N[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000346270224 153119554 /nfs/dbraw/zinc/11/95/54/153119554.db2.gz QITNPBXULFUUNY-SNVBAGLBSA-N 1 0 265.313 1.583 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000235653067 292282827 /nfs/dbraw/zinc/28/28/27/292282827.db2.gz VVHZYACHWUKLDD-ONGXEEELSA-N 1 0 263.297 1.322 20 5 CDBDRO COc1cc(CN2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000346684630 153271406 /nfs/dbraw/zinc/27/14/06/153271406.db2.gz HOGFKUIPSFCLPJ-UHFFFAOYSA-N 1 0 281.312 1.017 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261738800 286382960 /nfs/dbraw/zinc/38/29/60/286382960.db2.gz LVHYNPXAINUEBG-PWSUYJOCSA-N 1 0 277.324 1.792 20 5 CDBDRO C[C@H]1[N@H+](Cc2c([N+](=O)[O-])ncn2C)CCC12CCOCC2 ZINC000375238049 160356064 /nfs/dbraw/zinc/35/60/64/160356064.db2.gz PWKGLAAFRBJQDE-LLVKDONJSA-N 1 0 294.355 1.719 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC3(CCOCC3)CC2)c1 ZINC000375272420 160359916 /nfs/dbraw/zinc/35/99/16/160359916.db2.gz OBVGRUPUZUVPRA-UHFFFAOYSA-N 1 0 294.355 1.684 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CC[C@H](CO)O2)c1 ZINC000353711964 156033458 /nfs/dbraw/zinc/03/34/58/156033458.db2.gz UZLBONAPBDWNGP-CHWSQXEVSA-N 1 0 266.297 1.224 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000363122551 159298928 /nfs/dbraw/zinc/29/89/28/159298928.db2.gz PTUDEGSOXPEDHE-JTQLQIEISA-N 1 0 290.327 1.431 20 5 CDBDRO O=C(CC[N@@H+]1CCCOCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363379763 159322559 /nfs/dbraw/zinc/32/25/59/159322559.db2.gz WPZMPGYCIWBWAX-UHFFFAOYSA-N 1 0 293.323 1.646 20 5 CDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000368622963 159686954 /nfs/dbraw/zinc/68/69/54/159686954.db2.gz ITBRJQLRRXWJIQ-OCCSQVGLSA-N 1 0 293.371 1.350 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000418528609 286807077 /nfs/dbraw/zinc/80/70/77/286807077.db2.gz PCUHIAVZZUIMNZ-JTQLQIEISA-N 1 0 280.328 1.474 20 5 CDBDRO O=[N+]([O-])c1cccc(CN2CC[C@@H](n3cncn3)C2)c1 ZINC000372481161 160124645 /nfs/dbraw/zinc/12/46/45/160124645.db2.gz KAGZPNOVSZLCIN-CYBMUJFWSA-N 1 0 273.296 1.633 20 5 CDBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285452111 196288957 /nfs/dbraw/zinc/28/89/57/196288957.db2.gz MVWVUJONJBBVKT-UHFFFAOYSA-N 1 0 295.343 1.263 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000037225280 173045676 /nfs/dbraw/zinc/04/56/76/173045676.db2.gz BSEFJWXFQGZLNC-JTQLQIEISA-N 1 0 265.313 1.642 20 5 CDBDRO O=[N+]([O-])c1cc(CNCC[NH+]2CCCC2)cs1 ZINC000037562585 173272870 /nfs/dbraw/zinc/27/28/70/173272870.db2.gz ORUZVBQTHKYHNM-UHFFFAOYSA-N 1 0 255.343 1.842 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000044541495 175201314 /nfs/dbraw/zinc/20/13/14/175201314.db2.gz AFTWRAMUNXZGAE-MMQHEFTJSA-N 1 0 289.335 1.948 20 5 CDBDRO COCCOCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000044725174 175237453 /nfs/dbraw/zinc/23/74/53/175237453.db2.gz CWPPONQHHSTRSP-UHFFFAOYSA-N 1 0 268.313 1.390 20 5 CDBDRO C[NH2+]C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000071147594 176043724 /nfs/dbraw/zinc/04/37/24/176043724.db2.gz AKYAZPJTLSIAPT-GFCCVEGCSA-N 1 0 263.341 1.945 20 5 CDBDRO O=c1c2ccccc2n(CC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000514600047 266013416 /nfs/dbraw/zinc/01/34/16/266013416.db2.gz KFHHTBBRFCFBEN-NSHDSACASA-N 1 0 287.319 1.909 20 5 CDBDRO CCC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000324708570 270331728 /nfs/dbraw/zinc/33/17/28/270331728.db2.gz COVZWBJYKZOCTQ-KBPBESRZSA-N 1 0 296.371 1.711 20 5 CDBDRO C[C@@H]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000415387064 274288381 /nfs/dbraw/zinc/28/83/81/274288381.db2.gz QHZURADXIANROY-KOLCDFICSA-N 1 0 293.327 1.003 20 5 CDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCF ZINC000436316260 274472108 /nfs/dbraw/zinc/47/21/08/274472108.db2.gz RMMHBJSOMGTVQE-SECBINFHSA-N 1 0 269.276 1.871 20 5 CDBDRO CC[N@@H+]1CC[C@@H](N(C)CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000357957560 276213642 /nfs/dbraw/zinc/21/36/42/276213642.db2.gz ISPDZAUAALZIMK-CHWSQXEVSA-N 1 0 295.387 1.596 20 5 CDBDRO CC[C@](C)([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000177135521 276648722 /nfs/dbraw/zinc/64/87/22/276648722.db2.gz XHNIULRKVFZPIE-ZDUSSCGKSA-N 1 0 281.312 1.217 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000127701661 277026561 /nfs/dbraw/zinc/02/65/61/277026561.db2.gz DDDPXFNCKIETER-XEHSLEBBSA-N 1 0 289.335 1.818 20 5 CDBDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449180554 278052623 /nfs/dbraw/zinc/05/26/23/278052623.db2.gz ADSVJRMWCFPFTK-SMDDNHRTSA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1c([N+](=O)[O-])ncn1C ZINC000048921611 279165018 /nfs/dbraw/zinc/16/50/18/279165018.db2.gz RUJAWBKOBFOEOO-WDEREUQCSA-N 1 0 281.360 1.861 20 5 CDBDRO CC(C)[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000106912061 279299609 /nfs/dbraw/zinc/29/96/09/279299609.db2.gz DNZGVQIVVMIGTE-CYBMUJFWSA-N 1 0 279.340 1.797 20 5 CDBDRO Cn1c(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000352596655 279306271 /nfs/dbraw/zinc/30/62/71/279306271.db2.gz CBNPWURDMWNSIU-PWSUYJOCSA-N 1 0 292.339 1.100 20 5 CDBDRO CC[NH2+]CC1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000131588170 279498539 /nfs/dbraw/zinc/49/85/39/279498539.db2.gz NTBQHFDCPDUHPD-UHFFFAOYSA-N 1 0 267.333 1.154 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000127544300 279535182 /nfs/dbraw/zinc/53/51/82/279535182.db2.gz IRDSXLFDCZNSHW-YBJDMEARSA-N 1 0 275.308 1.558 20 5 CDBDRO Cc1cc(C(=O)N2CC[NH2+]C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000126161208 280331346 /nfs/dbraw/zinc/33/13/46/280331346.db2.gz ZFLJRGCQZKQRSC-JTQLQIEISA-N 1 0 263.297 1.337 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229098969 280664705 /nfs/dbraw/zinc/66/47/05/280664705.db2.gz SHBUGVSSEDMSDJ-KOLCDFICSA-N 1 0 264.329 1.719 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)C[NH+](C)C)c1 ZINC000411102218 281008465 /nfs/dbraw/zinc/00/84/65/281008465.db2.gz SETDZQJSLULTIA-UHFFFAOYSA-N 1 0 279.340 1.973 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000261631299 281016358 /nfs/dbraw/zinc/01/63/58/281016358.db2.gz WBFHWZKPAAAUEO-BXKDBHETSA-N 1 0 263.297 1.465 20 5 CDBDRO CN1C[C@@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000555878758 290242967 /nfs/dbraw/zinc/24/29/67/290242967.db2.gz MCWCZSULCCULKD-AWEZNQCLSA-N 1 0 291.351 1.690 20 5 CDBDRO C[C@H](NC(=O)N(C)CCC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000557186875 290333851 /nfs/dbraw/zinc/33/38/51/290333851.db2.gz RFUWWGVQABSSEZ-JTQLQIEISA-N 1 0 280.328 1.646 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000186699078 290602990 /nfs/dbraw/zinc/60/29/90/290602990.db2.gz NPOXBDLXMNVIMX-GZMMTYOYSA-N 1 0 281.287 1.462 20 5 CDBDRO C[NH2+]CCS[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000563081524 293266712 /nfs/dbraw/zinc/26/67/12/293266712.db2.gz ZHIXIPVCUZAHTN-LBPRGKRZSA-N 1 0 295.364 1.653 20 5 CDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CC[C@@H]1CC[NH2+]C1 ZINC000568878175 294117457 /nfs/dbraw/zinc/11/74/57/294117457.db2.gz OIBINZSFLHHTOE-VIFPVBQESA-N 1 0 277.280 1.502 20 5 CDBDRO C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000563716920 316360980 /nfs/dbraw/zinc/36/09/80/316360980.db2.gz RKOISJDSASBYRX-NXEZZACHSA-N 1 0 292.339 1.295 20 5 CDBDRO Cc1c(CC(=O)N[C@@H](C)C[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000576228827 317100674 /nfs/dbraw/zinc/10/06/74/317100674.db2.gz DQWBYGMJEGNDDW-UWVGGRQHSA-N 1 0 279.340 1.688 20 5 CDBDRO Cc1ccc(C(=O)N[C@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000381386566 323626277 /nfs/dbraw/zinc/62/62/77/323626277.db2.gz QSKUYXCVAFLBAZ-DTWKUNHWSA-N 1 0 251.286 1.369 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000381465068 323628176 /nfs/dbraw/zinc/62/81/76/323628176.db2.gz JUTZPJXLMWVITB-VAJAEUGUSA-N 1 0 263.297 1.460 20 5 CDBDRO COc1cc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000381527748 323628916 /nfs/dbraw/zinc/62/89/16/323628916.db2.gz ZMWFHRPHEFOJGL-SFYZADRCSA-N 1 0 267.285 1.069 20 5 CDBDRO [NH3+]CC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000383462913 323668389 /nfs/dbraw/zinc/66/83/89/323668389.db2.gz KCYDOMAPDVISLM-SNVBAGLBSA-N 1 0 287.266 1.236 20 5 CDBDRO COc1cccc(C(=O)NC(C)(C)CCC[NH3+])c1[N+](=O)[O-] ZINC000579462624 324191199 /nfs/dbraw/zinc/19/11/99/324191199.db2.gz AYBYMZFTVFOVNX-UHFFFAOYSA-N 1 0 295.339 1.851 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000583094947 325107189 /nfs/dbraw/zinc/10/71/89/325107189.db2.gz RZDUSUKHYWDNIW-RYUDHWBXSA-N 1 0 279.340 1.963 20 5 CDBDRO CCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000058233956 1160596539 /nfs/dbraw/zinc/59/65/39/1160596539.db2.gz IERQTFHDHCPFMY-GFCCVEGCSA-N 1 0 263.297 1.419 20 5 CDBDRO CCCN(C(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000058234902 521445833 /nfs/dbraw/zinc/44/58/33/521445833.db2.gz PSSPIGYGZDDZGW-NSHDSACASA-N 1 0 277.324 1.809 20 5 CDBDRO CN(CCOCC[NH3+])Cc1ccccc1[N+](=O)[O-] ZINC000357080504 522892108 /nfs/dbraw/zinc/89/21/08/522892108.db2.gz UKBZQGCXZSEQGM-UHFFFAOYSA-N 1 0 253.302 1.002 20 5 CDBDRO COCCN(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000061377514 523607801 /nfs/dbraw/zinc/60/78/01/523607801.db2.gz IAENCRBDABQLQJ-UHFFFAOYSA-N 1 0 273.358 1.324 20 5 CDBDRO C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000050163056 525268584 /nfs/dbraw/zinc/26/85/84/525268584.db2.gz FOJHXCGYCOZUAH-IUCAKERBSA-N 1 0 283.353 1.774 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C[NH+]2CCC1CC2 ZINC000052812229 525578180 /nfs/dbraw/zinc/57/81/80/525578180.db2.gz ZYSRJTBQFGXDCU-GFCCVEGCSA-N 1 0 262.313 1.804 20 5 CDBDRO C[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246633953 526250098 /nfs/dbraw/zinc/25/00/98/526250098.db2.gz BIFXOMPCFCOMSN-CMPLNLGQSA-N 1 0 268.317 1.027 20 5 CDBDRO O=[N+]([O-])c1cc(CN2CCC[C@H]3C[NH2+]C[C@H]32)cs1 ZINC000299922318 527328663 /nfs/dbraw/zinc/32/86/63/527328663.db2.gz SIWCPVMWYSAPFK-WDEREUQCSA-N 1 0 267.354 1.840 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000261667590 535970376 /nfs/dbraw/zinc/97/03/76/535970376.db2.gz ZPLUIYVINBDORT-BDAKNGLRSA-N 1 0 267.333 1.306 20 5 CDBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000093519583 1174442120 /nfs/dbraw/zinc/44/21/20/1174442120.db2.gz LLRZXYQHIJTIGF-UHFFFAOYSA-N 1 0 286.353 1.508 20 5 CDBDRO COc1cccc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000422823826 537083621 /nfs/dbraw/zinc/08/36/21/537083621.db2.gz MILKROSBKJFLPZ-UWVGGRQHSA-N 1 0 293.323 1.426 20 5 CDBDRO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C ZINC000769772311 575382142 /nfs/dbraw/zinc/38/21/42/575382142.db2.gz VQOCEGYNFIYVSN-SNVBAGLBSA-N 1 0 289.339 1.607 20 5 CDBDRO CC[N@@H+](CCc1ccccn1)CCn1cc([N+](=O)[O-])cn1 ZINC000746663152 576788553 /nfs/dbraw/zinc/78/85/53/576788553.db2.gz OLFYRDJMIARGJD-UHFFFAOYSA-N 1 0 289.339 1.751 20 5 CDBDRO CC[N@@H+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])C[C@H]1C ZINC000754078892 576878070 /nfs/dbraw/zinc/87/80/70/576878070.db2.gz BUEKINFIJDKKNF-LLVKDONJSA-N 1 0 289.339 1.773 20 5 CDBDRO C[C@@](CO)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000754262396 576888599 /nfs/dbraw/zinc/88/85/99/576888599.db2.gz NWNMQQPFDTYMMY-AWEZNQCLSA-N 1 0 291.307 1.987 20 5 CDBDRO Cc1nn(C[N@@H+](C)C2CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749940598 576969161 /nfs/dbraw/zinc/96/91/61/576969161.db2.gz KVPINJMDFRDMQF-UHFFFAOYSA-N 1 0 261.285 1.700 20 5 CDBDRO COc1nccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1F ZINC000893135208 617401696 /nfs/dbraw/zinc/40/16/96/617401696.db2.gz NKJFNHKJJNJAMT-UHFFFAOYSA-N 1 0 295.274 1.124 20 5 CDBDRO CC(C)[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000963791238 613941318 /nfs/dbraw/zinc/94/13/18/613941318.db2.gz PWIFMPKBAWRMRT-VTRUDKGBSA-N 1 0 281.356 1.077 20 5 CDBDRO C[C@@]1(NC(=O)c2csc([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC000892793824 617755652 /nfs/dbraw/zinc/75/56/52/617755652.db2.gz VBYZZODZZZCZRD-CYBMUJFWSA-N 1 0 295.364 1.870 20 5 CDBDRO CN(CC1([NH+](C)C)CCC1)c1c([N+](=O)[O-])cnn1C ZINC000893384207 617760782 /nfs/dbraw/zinc/76/07/82/617760782.db2.gz LSQBZIOGFLEMHS-UHFFFAOYSA-N 1 0 267.333 1.249 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC1CC[NH+](C2CCC2)CC1 ZINC000894107827 618432836 /nfs/dbraw/zinc/43/28/36/618432836.db2.gz TUSJRUQNHPNYPJ-UHFFFAOYSA-N 1 0 279.344 1.757 20 5 CDBDRO Cc1cc(F)cc(C(=O)N(C)CC[NH3+])c1[N+](=O)[O-] ZINC000818010701 618493445 /nfs/dbraw/zinc/49/34/45/618493445.db2.gz SXRMYLDSBKZCOD-UHFFFAOYSA-N 1 0 255.249 1.073 20 5 CDBDRO C[NH+](C)CC1(O)CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000894953065 619162607 /nfs/dbraw/zinc/16/26/07/619162607.db2.gz FTFSJNRIDAEORU-UHFFFAOYSA-N 1 0 297.330 1.627 20 5 CDBDRO CON(C)C(=O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000895041339 619219450 /nfs/dbraw/zinc/21/94/50/619219450.db2.gz TWVIBXWUKIVCSX-FNORWQNLSA-N 1 0 279.296 1.217 20 5 CDBDRO CC1(C)CNC(=O)[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000895319268 619552516 /nfs/dbraw/zinc/55/25/16/619552516.db2.gz WLWYKAFWQIAQLH-VGVVRCBHSA-N 1 0 289.335 1.722 20 5 CDBDRO CC1(C)CNC(=O)[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000895319265 619552582 /nfs/dbraw/zinc/55/25/82/619552582.db2.gz WLWYKAFWQIAQLH-SCXUMTSISA-N 1 0 289.335 1.722 20 5 CDBDRO COc1ccc([C@@H](C[NH2+]CC[N+](=O)[O-])N2CCCC2)cc1 ZINC000899858833 622486860 /nfs/dbraw/zinc/48/68/60/622486860.db2.gz CLGZWVUQUGOAQH-OAHLLOKOSA-N 1 0 293.367 1.698 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000900400823 623001623 /nfs/dbraw/zinc/00/16/23/623001623.db2.gz CQRUZFAJPASSSI-CYBMUJFWSA-N 1 0 262.313 1.712 20 5 CDBDRO COc1cc(CNCCC(C)(C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000903938910 626150762 /nfs/dbraw/zinc/15/07/62/626150762.db2.gz PVYOTIQYYYKOFS-UHFFFAOYSA-N 1 0 297.355 1.829 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CNCC1([NH3+])CC1 ZINC000904449810 626299996 /nfs/dbraw/zinc/29/99/96/626299996.db2.gz OOVGXQQPSZXAIT-UHFFFAOYSA-N 1 0 265.313 1.574 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCOc1cccc(Br)c1 ZINC000905060076 626609973 /nfs/dbraw/zinc/60/99/73/626609973.db2.gz SMSJMABQAKHYTO-UHFFFAOYSA-N 1 0 289.129 1.694 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000905065897 626613347 /nfs/dbraw/zinc/61/33/47/626613347.db2.gz QNXWIKGVFRXHCJ-AWEZNQCLSA-N 1 0 297.330 1.065 20 5 CDBDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000905197051 626674184 /nfs/dbraw/zinc/67/41/84/626674184.db2.gz UIIAEWGOTBJWKH-ZWNOBZJWSA-N 1 0 268.313 1.638 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000905340945 626775130 /nfs/dbraw/zinc/77/51/30/626775130.db2.gz KDUFMHODUDNAKE-SNVBAGLBSA-N 1 0 278.230 1.605 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000905393291 626808629 /nfs/dbraw/zinc/80/86/29/626808629.db2.gz ABKFEKIDCVXGFM-JTQLQIEISA-N 1 0 287.722 1.924 20 5 CDBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000913538995 630541122 /nfs/dbraw/zinc/54/11/22/630541122.db2.gz ZDZPUPYELWOHED-OKILXGFUSA-N 1 0 289.335 1.442 20 5 CDBDRO C[N@@H+]1CCC[C@H]1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000915371947 631709002 /nfs/dbraw/zinc/70/90/02/631709002.db2.gz KQDAHSRXEJWWFX-VIFPVBQESA-N 1 0 289.291 1.285 20 5 CDBDRO O=[N+]([O-])CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000930060172 632509631 /nfs/dbraw/zinc/50/96/31/632509631.db2.gz GMICSHJNTAXTGO-YPMHNXCESA-N 1 0 253.346 1.212 20 5 CDBDRO C[C@H](CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000930097379 632676887 /nfs/dbraw/zinc/67/68/87/632676887.db2.gz DRJVFMFDZPISST-SWHYSGLUSA-N 1 0 291.351 1.765 20 5 CDBDRO CC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])OCCO1 ZINC000848535677 693896537 /nfs/dbraw/zinc/89/65/37/693896537.db2.gz FVDDTLQDKWWTMM-GFCCVEGCSA-N 1 0 278.308 1.935 20 5 CDBDRO Cc1noc(CONC(=[NH2+])[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000853696712 694059745 /nfs/dbraw/zinc/05/97/45/694059745.db2.gz ACNHLIBOALNFLS-ZETCQYMHSA-N 1 0 270.245 1.069 20 5 CDBDRO C[C@@H]([NH3+])CN(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000310946698 694081334 /nfs/dbraw/zinc/08/13/34/694081334.db2.gz XUVCIOKFBXCPSR-SSDOTTSWSA-N 1 0 271.704 1.667 20 5 CDBDRO C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000133800307 694095464 /nfs/dbraw/zinc/09/54/64/694095464.db2.gz DPLXONOSDCPEJT-YPMHNXCESA-N 1 0 279.340 1.451 20 5 CDBDRO O=C(C[NH+]1CCCC1)NCCc1ccccc1[N+](=O)[O-] ZINC000820317525 694150858 /nfs/dbraw/zinc/15/08/58/694150858.db2.gz IEANNFGIVFFXDA-UHFFFAOYSA-N 1 0 277.324 1.349 20 5 CDBDRO CN(Cc1cccnc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000886830756 688259062 /nfs/dbraw/zinc/25/90/62/688259062.db2.gz WVVXVOVDMHYBHZ-UHFFFAOYSA-N 1 0 252.318 1.407 20 5 CDBDRO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]CC[N+](=O)[O-])C1(C)C ZINC000930879017 688300452 /nfs/dbraw/zinc/30/04/52/688300452.db2.gz GWTOHRAPFLPXSR-UWVGGRQHSA-N 1 0 287.360 1.545 20 5 CDBDRO COC[C@H](O)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873120819 688349621 /nfs/dbraw/zinc/34/96/21/688349621.db2.gz APJMBFPVRXIMFY-LLVKDONJSA-N 1 0 268.313 1.309 20 5 CDBDRO CCCn1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)nn1 ZINC000865511889 688384340 /nfs/dbraw/zinc/38/43/40/688384340.db2.gz IMZRIUFURKMPMT-UHFFFAOYSA-N 1 0 289.339 1.929 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)c2ccccc2)c1 ZINC000819176203 688390345 /nfs/dbraw/zinc/39/03/45/688390345.db2.gz HVNLPBRUUAXGSO-ZDUSSCGKSA-N 1 0 276.296 1.115 20 5 CDBDRO CC(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001045437084 694218727 /nfs/dbraw/zinc/21/87/27/694218727.db2.gz CJVXAQKXWVYBNS-CHWSQXEVSA-N 1 0 297.399 1.668 20 5 CDBDRO Cn1cc([C@@H]2CN(c3ccc([N+](=O)[O-])cc3)C[C@H]2[NH3+])cn1 ZINC000818629727 688693960 /nfs/dbraw/zinc/69/39/60/688693960.db2.gz KOJKFJOLXONBSC-UONOGXRCSA-N 1 0 287.323 1.259 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](CO)CC(F)F)c1 ZINC000843112524 688695663 /nfs/dbraw/zinc/69/56/63/688695663.db2.gz YVGXNIAXHPAAKF-ONGXEEELSA-N 1 0 290.266 1.234 20 5 CDBDRO COc1ccc(CCC[N@H+](C)CC[N+](=O)[O-])cc1 ZINC000791052959 688816770 /nfs/dbraw/zinc/81/67/70/688816770.db2.gz QBWICBIATNOOOH-UHFFFAOYSA-N 1 0 252.314 1.836 20 5 CDBDRO [NH3+][C@H]1C[C@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000715066371 688849422 /nfs/dbraw/zinc/84/94/22/688849422.db2.gz OAAUWDSDVSFBLM-ZURNPWDQSA-N 1 0 275.308 1.462 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CC[NH2+]C1 ZINC000133802842 694319483 /nfs/dbraw/zinc/31/94/83/694319483.db2.gz MLMDSHHQBFZUBK-VIFPVBQESA-N 1 0 253.306 1.141 20 5 CDBDRO C[C@@H]1[C@H](C)N(Cc2cccnc2[N+](=O)[O-])CC[N@H+]1C ZINC000886102878 694501562 /nfs/dbraw/zinc/50/15/62/694501562.db2.gz STCUQIYLYNVMEY-MNOVXSKESA-N 1 0 264.329 1.514 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCC2CC(O)C2)c1 ZINC000843111578 692129131 /nfs/dbraw/zinc/12/91/31/692129131.db2.gz ULDPUODJBFJTST-DBRPNBKGSA-N 1 0 280.324 1.379 20 5 CDBDRO CC(C)(O)C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000778216937 692136371 /nfs/dbraw/zinc/13/63/71/692136371.db2.gz SOFVOVUDGVIOMM-CQSZACIVSA-N 1 0 294.351 1.864 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCC23OCCO3)c1 ZINC000715598002 692148991 /nfs/dbraw/zinc/14/89/91/692148991.db2.gz QEZYXJKTBMFHBO-CYBMUJFWSA-N 1 0 278.308 1.980 20 5 CDBDRO CC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000843333559 692271407 /nfs/dbraw/zinc/27/14/07/692271407.db2.gz WLXZSLKEOOIUAQ-UHFFFAOYSA-N 1 0 296.283 1.151 20 5 CDBDRO COCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000193587289 694515673 /nfs/dbraw/zinc/51/56/73/694515673.db2.gz UDDCYACOQGBKRL-UHFFFAOYSA-N 1 0 279.340 1.753 20 5 CDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000715083677 692306272 /nfs/dbraw/zinc/30/62/72/692306272.db2.gz ZUSMNICXWRLXBA-OCAPTIKFSA-N 1 0 283.715 1.715 20 5 CDBDRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1Cc1cccnc1[N+](=O)[O-] ZINC000923436879 692311486 /nfs/dbraw/zinc/31/14/86/692311486.db2.gz SXHDGOLQQTXPJJ-DCAQKATOSA-N 1 0 264.329 1.561 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC(=O)NC2=O)cc1[N+](=O)[O-] ZINC000089751401 692423328 /nfs/dbraw/zinc/42/33/28/692423328.db2.gz NEHHQYOHPSUMKZ-KOLCDFICSA-N 1 0 291.307 1.359 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H](O)CC2)cc1 ZINC000815296935 692446699 /nfs/dbraw/zinc/44/66/99/692446699.db2.gz INKFRDKHEFWGNC-UONOGXRCSA-N 1 0 280.324 1.475 20 5 CDBDRO O=C(CC[NH2+]CC1CC1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000870873013 692552157 /nfs/dbraw/zinc/55/21/57/692552157.db2.gz VOHDCFSVGZYKAR-UHFFFAOYSA-N 1 0 291.351 1.643 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000854649810 692627414 /nfs/dbraw/zinc/62/74/14/692627414.db2.gz HBQGJXKOODVWSI-MNOVXSKESA-N 1 0 271.361 1.373 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)CC[NH3+] ZINC000876796979 692631037 /nfs/dbraw/zinc/63/10/37/692631037.db2.gz PZWRQXBPXPQCOT-SECBINFHSA-N 1 0 265.313 1.679 20 5 CDBDRO C[NH2+]C[C@H](C)CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000420217831 692677173 /nfs/dbraw/zinc/67/71/73/692677173.db2.gz XQNVKWWQFDYTJK-JTQLQIEISA-N 1 0 274.324 1.832 20 5 CDBDRO CC(C)[C@@H]([NH3+])CCN(C)Cc1cccnc1[N+](=O)[O-] ZINC000886830355 692724818 /nfs/dbraw/zinc/72/48/18/692724818.db2.gz PSHBJOVCSFSQRB-LBPRGKRZSA-N 1 0 266.345 1.795 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCCOC2)cc1 ZINC000158624258 692813764 /nfs/dbraw/zinc/81/37/64/692813764.db2.gz BFELAESUXCESDZ-RISCZKNCSA-N 1 0 280.324 1.644 20 5 CDBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)C1C[NH2+]C1 ZINC000090290324 692829591 /nfs/dbraw/zinc/82/95/91/692829591.db2.gz LEEUPDFLZRCTTO-UHFFFAOYSA-N 1 0 255.705 1.652 20 5 CDBDRO C[NH+](C)C[C@@H](O)CNc1c(F)cccc1[N+](=O)[O-] ZINC000717393977 692833273 /nfs/dbraw/zinc/83/32/73/692833273.db2.gz PXLXBPOYDCOKOM-QMMMGPOBSA-N 1 0 257.265 1.068 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000864960152 692842486 /nfs/dbraw/zinc/84/24/86/692842486.db2.gz GJTARHOSRRRKNI-SNVBAGLBSA-N 1 0 295.314 1.344 20 5 CDBDRO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815563650 694622695 /nfs/dbraw/zinc/62/26/95/694622695.db2.gz JVZPPKXXRVNKJS-LDWIPMOCSA-N 1 0 293.245 1.751 20 5 CDBDRO [NH2+]=C(NCCNc1ccccc1[N+](=O)[O-])NC1CCC1 ZINC000848982827 692894239 /nfs/dbraw/zinc/89/42/39/692894239.db2.gz WVNSBORGZDTLMB-UHFFFAOYSA-N 1 0 277.328 1.673 20 5 CDBDRO [NH3+]C1(Cc2nc(-c3ccc([N+](=O)[O-])o3)no2)CCC1 ZINC000843237968 692902404 /nfs/dbraw/zinc/90/24/04/692902404.db2.gz JPAFGJMYSALENA-UHFFFAOYSA-N 1 0 264.241 1.662 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000818583695 692921841 /nfs/dbraw/zinc/92/18/41/692921841.db2.gz NKYUCLVSCYHPHQ-MRVPVSSYSA-N 1 0 296.283 1.231 20 5 CDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(N2CCNC2=O)cc1 ZINC000930814452 693008866 /nfs/dbraw/zinc/00/88/66/693008866.db2.gz ODBZPVVHHFFKQY-JTQLQIEISA-N 1 0 278.312 1.144 20 5 CDBDRO C[NH2+]CCc1nc(Cc2cc(OC)ccc2[N+](=O)[O-])no1 ZINC000823088950 693031083 /nfs/dbraw/zinc/03/10/83/693031083.db2.gz PKXCQOGVEWSQAS-UHFFFAOYSA-N 1 0 292.295 1.339 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000132599341 693123231 /nfs/dbraw/zinc/12/32/31/693123231.db2.gz PTABCJAXQNKDGS-QMMMGPOBSA-N 1 0 267.260 1.155 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000825196724 693134475 /nfs/dbraw/zinc/13/44/75/693134475.db2.gz NLBMDZWGXQOCMV-UWVGGRQHSA-N 1 0 292.339 1.343 20 5 CDBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001048524881 693186431 /nfs/dbraw/zinc/18/64/31/693186431.db2.gz DGYIUJZVSARBRE-XVIXHAIJSA-N 1 0 295.383 1.419 20 5 CDBDRO C[C@H](Cc1cccnc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000934233963 693243920 /nfs/dbraw/zinc/24/39/20/693243920.db2.gz MDAGWBQTDAEJGX-LLVKDONJSA-N 1 0 275.312 1.407 20 5 CDBDRO C[C@@]1(O)CCC[N@H+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886181342 693336164 /nfs/dbraw/zinc/33/61/64/693336164.db2.gz KAGINEQIJLRMTH-CYBMUJFWSA-N 1 0 265.313 1.727 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923411922 694640182 /nfs/dbraw/zinc/64/01/82/694640182.db2.gz GBWWKAKJNVFJBZ-SUZMYJTESA-N 1 0 265.313 1.050 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(O)CC2)cc1 ZINC000776579987 694669712 /nfs/dbraw/zinc/66/97/12/694669712.db2.gz UFLFVORGSDJATD-CYBMUJFWSA-N 1 0 266.297 1.085 20 5 CDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[N@@H+]2CC[C@H]1C2 ZINC000868632190 693370718 /nfs/dbraw/zinc/37/07/18/693370718.db2.gz CFDOZGYZPPPXLZ-NSHDSACASA-N 1 0 293.298 1.193 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000876978589 693381870 /nfs/dbraw/zinc/38/18/70/693381870.db2.gz QWOHINLHYMEXLM-SECBINFHSA-N 1 0 265.313 1.549 20 5 CDBDRO [NH3+][C@H]1C[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000715097246 693382278 /nfs/dbraw/zinc/38/22/78/693382278.db2.gz RELWRBSJOOWKAO-ZKCHVHJHSA-N 1 0 283.715 1.715 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H]2CC2(Cl)Cl)c1 ZINC000877094888 693386442 /nfs/dbraw/zinc/38/64/42/693386442.db2.gz MTKVWFMUJNRFNL-SSDOTTSWSA-N 1 0 279.127 1.575 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C/C=C\CO ZINC000717559562 694698006 /nfs/dbraw/zinc/69/80/06/694698006.db2.gz APZXCPQWHAFTSP-UPHRSURJSA-N 1 0 256.689 1.886 20 5 CDBDRO Cc1ccc(C(=O)N(C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000311229646 693467238 /nfs/dbraw/zinc/46/72/38/693467238.db2.gz ZFLOUYAOMKDJNP-VIFPVBQESA-N 1 0 251.286 1.322 20 5 CDBDRO C[S@@](=O)C1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819285730 694770145 /nfs/dbraw/zinc/77/01/45/694770145.db2.gz BRHHOQOHBWLMFA-FKIZINRSSA-N 1 0 298.364 1.129 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCN(C)C1 ZINC000850432097 694807309 /nfs/dbraw/zinc/80/73/09/694807309.db2.gz QZTWQFOYRXSVGM-QWRGUYRKSA-N 1 0 279.340 1.958 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000320717494 694646788 /nfs/dbraw/zinc/64/67/88/694646788.db2.gz QTSZWKCQHIPNSG-SFYZADRCSA-N 1 0 269.276 1.590 20 5 CDBDRO CC(C)OC(=O)CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818943747 694695208 /nfs/dbraw/zinc/69/52/08/694695208.db2.gz ZMXGJKLPEMCIBY-ZDUSSCGKSA-N 1 0 296.323 1.560 20 5 CDBDRO CCCC[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001000673754 694761483 /nfs/dbraw/zinc/76/14/83/694761483.db2.gz KPAJZAFCDDRJCV-CHWSQXEVSA-N 1 0 281.356 1.200 20 5 CDBDRO C[C@H]([N@H+](C)Cc1cccnc1[N+](=O)[O-])C(C)(C)O ZINC000886227291 694776887 /nfs/dbraw/zinc/77/68/87/694776887.db2.gz ZWHIQIQVYCWEKF-VIFPVBQESA-N 1 0 253.302 1.581 20 5 CDBDRO [NH3+][C@H]1C[C@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000715066366 694834686 /nfs/dbraw/zinc/83/46/86/694834686.db2.gz OAAUWDSDVSFBLM-PIYWNLOMSA-N 1 0 275.308 1.462 20 5 CDBDRO C[C@@H](NC[C@H](O)C[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000932178921 694835636 /nfs/dbraw/zinc/83/56/36/694835636.db2.gz UNCXPERCFIYRMI-ABAIWWIYSA-N 1 0 293.367 1.701 20 5 CDBDRO CC[C@@H]([NH3+])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000129188518 694839907 /nfs/dbraw/zinc/83/99/07/694839907.db2.gz YGIXLPRKDBHWDG-LLVKDONJSA-N 1 0 285.731 1.944 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000817494448 694857922 /nfs/dbraw/zinc/85/79/22/694857922.db2.gz JPCYTOHQTNIKGV-NSHDSACASA-N 1 0 271.361 1.375 20 5 CDBDRO C[N@H+](CC1CCC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985426504 694859499 /nfs/dbraw/zinc/85/94/99/694859499.db2.gz QVYCCQKMRKYPRK-ZIAGYGMSSA-N 1 0 295.383 1.375 20 5 CDBDRO CC[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122456864 694872389 /nfs/dbraw/zinc/87/23/89/694872389.db2.gz PGYKPQCVJLAGSO-CABZTGNLSA-N 1 0 295.314 1.933 20 5 CDBDRO C[C@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000776582902 694894417 /nfs/dbraw/zinc/89/44/17/694894417.db2.gz WDSGAUGDFHLAFE-SMDDNHRTSA-N 1 0 280.324 1.739 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000876504702 694897178 /nfs/dbraw/zinc/89/71/78/694897178.db2.gz UCAVZKSWDBAIBC-SNVBAGLBSA-N 1 0 263.297 1.385 20 5 CDBDRO Cn1c(-c2nc([C@@H]3CCC[NH2+]C3)no2)ccc1[N+](=O)[O-] ZINC000842664346 695097846 /nfs/dbraw/zinc/09/78/46/695097846.db2.gz CJVJEMFFBQDQAG-MRVPVSSYSA-N 1 0 277.284 1.450 20 5 CDBDRO C[NH+]1CC(CNc2cccc3ncc([N+](=O)[O-])n32)C1 ZINC001170259621 1162320736 /nfs/dbraw/zinc/32/07/36/1162320736.db2.gz XXDODMNWALGFQQ-UHFFFAOYSA-N 1 0 261.285 1.216 20 5 CDBDRO COc1ccc(C[C@H](C)NOCC[NH3+])c([N+](=O)[O-])c1 ZINC001170295690 1162327865 /nfs/dbraw/zinc/32/78/65/1162327865.db2.gz DTBXLYYNHLUBPO-VIFPVBQESA-N 1 0 269.301 1.014 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2COC(=O)C2)c([N+](=O)[O-])c1 ZINC001170304958 1162329249 /nfs/dbraw/zinc/32/92/49/1162329249.db2.gz IMSGXMKUELPZQB-MWLCHTKSSA-N 1 0 294.307 1.440 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC001170328316 1162338444 /nfs/dbraw/zinc/33/84/44/1162338444.db2.gz JRTKUNZJEUHSDM-LLVKDONJSA-N 1 0 294.351 1.991 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N[C@H](C)[C@H]1C[NH2+]CCO1 ZINC001170567127 1162940927 /nfs/dbraw/zinc/94/09/27/1162940927.db2.gz JFOGXYWSHFXPQM-ZYHUDNBSSA-N 1 0 265.313 1.692 20 5 CDBDRO C[C@H](Nc1cc([N+](=O)[O-])c2nccn2c1)[C@@H]1C[NH2+]CCO1 ZINC001170568386 1162947061 /nfs/dbraw/zinc/94/70/61/1162947061.db2.gz OCTGVDQCUURKPM-CABZTGNLSA-N 1 0 291.311 1.031 20 5 CDBDRO Cc1c(N[C@@H](C)[C@@H]2C[NH2+]CCO2)cc(F)cc1[N+](=O)[O-] ZINC001170567785 1162950979 /nfs/dbraw/zinc/95/09/79/1162950979.db2.gz LUWBTGQVDZWAQN-ZANVPECISA-N 1 0 283.303 1.831 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[N@@H+]3CC[C@@H]3C2)n1 ZINC001158424684 1162982670 /nfs/dbraw/zinc/98/26/70/1162982670.db2.gz XLGGUFDVBJLZAX-SECBINFHSA-N 1 0 282.731 1.846 20 5 CDBDRO NC(=[NH2+])c1nccn1-c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001157623551 1162243585 /nfs/dbraw/zinc/24/35/85/1162243585.db2.gz WKUBWUNCIQDLBA-UHFFFAOYSA-N 1 0 283.251 1.008 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cc(N[C@@H]2COCCC23C[NH2+]C3)n1 ZINC001155461660 1167179953 /nfs/dbraw/zinc/17/99/53/1167179953.db2.gz KYWRCGHGNCMVGF-SECBINFHSA-N 1 0 298.730 1.434 20 5 CDBDRO CCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000058233816 1167220392 /nfs/dbraw/zinc/22/03/92/1167220392.db2.gz VGJUBAHEABYYSY-GPAKFWEMSA-N 1 0 289.335 1.818 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC001573911105 1170824534 /nfs/dbraw/zinc/82/45/34/1170824534.db2.gz ZBJPKATVKYZSIJ-HZMBPMFUSA-N 1 0 290.323 1.575 20 5 CDBDRO O=C(NC1C[NH2+]C1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001574312120 1170945981 /nfs/dbraw/zinc/94/59/81/1170945981.db2.gz UJKHCXNKSQHUAH-UHFFFAOYSA-N 1 0 273.651 1.089 20 5 CDBDRO C[C@@H](CNC(=O)N(C)C[C@H](C)[NH3+])c1ccccc1[N+](=O)[O-] ZINC001576153458 1171343554 /nfs/dbraw/zinc/34/35/54/1171343554.db2.gz UJLCCINHAPGYNO-QWRGUYRKSA-N 1 0 294.355 1.687 20 5 CDBDRO CN(C[C@@H]1CC[NH2+]1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001578454037 1171919755 /nfs/dbraw/zinc/91/97/55/1171919755.db2.gz SCFDQBIPFGDWJN-NTYUQYKDSA-N 1 0 275.308 1.428 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CC[NH2+]1 ZINC001579642756 1172233267 /nfs/dbraw/zinc/23/32/67/1172233267.db2.gz UKNCOAVLJIPGFJ-VIFPVBQESA-N 1 0 264.285 1.387 20 5 CDBDRO Nc1nc(N2CCCC[C@]23CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001580469027 1172446422 /nfs/dbraw/zinc/44/64/22/1172446422.db2.gz PTIZYQDQPNOBKO-CYBMUJFWSA-N 1 0 292.343 1.080 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(OC[C@@H]2CCC[NH2+]C2)c1 ZINC000155936347 1178167640 /nfs/dbraw/zinc/16/76/40/1178167640.db2.gz UESJEJXZTNIKIM-SNVBAGLBSA-N 1 0 266.297 1.982 20 5 CDBDRO O=C(NC1(C[NH2+]CC2CC2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001755350949 1185925205 /nfs/dbraw/zinc/92/52/05/1185925205.db2.gz NISQCHTYAJVQJE-CHWSQXEVSA-N 1 0 295.383 1.470 20 5 CDBDRO CC[C@H](C(=O)OCC(C)(C)[N+](=O)[O-])[NH+](CC)CC ZINC000851128274 723094042 /nfs/dbraw/zinc/09/40/42/723094042.db2.gz OYIUMCXQYJUPGH-SNVBAGLBSA-N 1 0 260.334 1.705 20 5 CDBDRO C[N@H+](CCO)CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000884824040 723110329 /nfs/dbraw/zinc/11/03/29/723110329.db2.gz ORNUQZZZMAXVPV-UHFFFAOYSA-N 1 0 290.323 1.479 20 5 CDBDRO C[C@@]([NH3+])(C(=O)N[C@H]1C=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000867984428 723111526 /nfs/dbraw/zinc/11/15/26/723111526.db2.gz PHRLZXZFSTZCEE-FZMZJTMJSA-N 1 0 275.308 1.604 20 5 CDBDRO CC1(C)CN(c2nc3ccccn3c2[N+](=O)[O-])CC[NH2+]1 ZINC000842313146 723208406 /nfs/dbraw/zinc/20/84/06/723208406.db2.gz QPBFNNUGMGBZNS-UHFFFAOYSA-N 1 0 275.312 1.431 20 5 CDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823306161 723267027 /nfs/dbraw/zinc/26/70/27/723267027.db2.gz RLSRSMIUDMHSBX-NSHDSACASA-N 1 0 273.377 1.524 20 5 CDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C(F)F ZINC001021756746 723289514 /nfs/dbraw/zinc/28/95/14/723289514.db2.gz JMEGKDLYCNLIIR-AOOOYVTPSA-N 1 0 299.277 1.597 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H]1C ZINC000827573968 723311057 /nfs/dbraw/zinc/31/10/57/723311057.db2.gz QORRHSQAOKVLFH-NEPJUHHUSA-N 1 0 285.388 1.763 20 5 CDBDRO Cc1ccc(NC(=O)C[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000123560730 723373246 /nfs/dbraw/zinc/37/32/46/723373246.db2.gz QYVUOPWKNZMWOH-NSHDSACASA-N 1 0 263.297 1.969 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)c2cccc(F)c2)c1 ZINC000819176752 723387450 /nfs/dbraw/zinc/38/74/50/723387450.db2.gz NANBVUFWSSGASB-CYBMUJFWSA-N 1 0 294.286 1.254 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000876818374 723393699 /nfs/dbraw/zinc/39/36/99/723393699.db2.gz SUVMDWCFQXDOAZ-CHWSQXEVSA-N 1 0 275.352 1.863 20 5 CDBDRO CC[NH+]1CCC(NC[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818941135 723408628 /nfs/dbraw/zinc/40/86/28/723408628.db2.gz PCZCHDLVLBPURJ-HNNXBMFYSA-N 1 0 293.367 1.702 20 5 CDBDRO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1 ZINC000776578471 723420605 /nfs/dbraw/zinc/42/06/05/723420605.db2.gz GADQIFWJBONPIH-DOMZBBRYSA-N 1 0 294.351 1.987 20 5 CDBDRO Cc1nn(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000840088813 723585344 /nfs/dbraw/zinc/58/53/44/723585344.db2.gz YBXYUJILMYLOBG-AOOOYVTPSA-N 1 0 281.360 1.390 20 5 CDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000839708300 723658797 /nfs/dbraw/zinc/65/87/97/723658797.db2.gz IRUMOABCQYZTAP-RUZUBIRVSA-N 1 0 293.367 1.127 20 5 CDBDRO CC(C)(CCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[N+](=O)[O-] ZINC000822528297 723661939 /nfs/dbraw/zinc/66/19/39/723661939.db2.gz AMHGCCDLQHCYBU-NEPJUHHUSA-N 1 0 283.372 1.565 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818015544 723690463 /nfs/dbraw/zinc/69/04/63/723690463.db2.gz SAECFZCNABYFGN-AWEZNQCLSA-N 1 0 275.308 1.563 20 5 CDBDRO Nc1nc(N2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000167825135 721857430 /nfs/dbraw/zinc/85/74/30/721857430.db2.gz DIRXPAZLBCUZDN-UHFFFAOYSA-N 1 0 291.355 1.637 20 5 CDBDRO CN(CC1CC[NH+](C)CC1)c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001165040704 721930796 /nfs/dbraw/zinc/93/07/96/721930796.db2.gz KMUOIBRQBGRFPE-UHFFFAOYSA-N 1 0 280.328 1.006 20 5 CDBDRO Cc1cc(C(=O)N2CCC(C)([NH3+])CC2)c(N)c([N+](=O)[O-])c1 ZINC000834588320 723151725 /nfs/dbraw/zinc/15/17/25/723151725.db2.gz AMCQNIKEGQXJSW-UHFFFAOYSA-N 1 0 292.339 1.439 20 5 CDBDRO CC[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000834641695 723153409 /nfs/dbraw/zinc/15/34/09/723153409.db2.gz MKNXAWMECRJHOA-GXSJLCMTSA-N 1 0 292.339 1.376 20 5 CDBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000130702964 723236981 /nfs/dbraw/zinc/23/69/81/723236981.db2.gz CKQFIMHEMHRPBS-JKOKRWQUSA-N 1 0 280.324 1.643 20 5 CDBDRO [NH3+]C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000313364141 723251848 /nfs/dbraw/zinc/25/18/48/723251848.db2.gz XDWMLZJMDCSUAQ-GFCCVEGCSA-N 1 0 299.758 1.798 20 5 CDBDRO C[C@H]([NH2+][C@@H](CO)CC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815598463 723359503 /nfs/dbraw/zinc/35/95/03/723359503.db2.gz VYAHRASCUXVPQZ-JOYOIKCWSA-N 1 0 279.340 1.989 20 5 CDBDRO CCC[NH2+][C@H](C)c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000843222798 723567344 /nfs/dbraw/zinc/56/73/44/723567344.db2.gz VLCBOQDAOOGDIC-SSDOTTSWSA-N 1 0 294.315 1.747 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(F)c1 ZINC000840250984 723631105 /nfs/dbraw/zinc/63/11/05/723631105.db2.gz GCZSUQOPPOBWCU-ONGXEEELSA-N 1 0 296.302 1.404 20 5 CDBDRO CC(C)[C@H](CCO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000227011883 723675842 /nfs/dbraw/zinc/67/58/42/723675842.db2.gz NICZYAMAOLKMRB-UONOGXRCSA-N 1 0 282.340 1.625 20 5 CDBDRO CSC1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000872626745 1165459703 /nfs/dbraw/zinc/45/97/03/1165459703.db2.gz NHIIBLCKVTYDPJ-UHFFFAOYSA-N 1 0 256.331 1.576 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H](CO)C1 ZINC001173215969 912298459 /nfs/dbraw/zinc/29/84/59/912298459.db2.gz GKSUTCZOLXIPKC-RAIGVLPGSA-N 1 0 264.325 1.886 20 5 CDBDRO COC(C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)OC ZINC001173215991 912299440 /nfs/dbraw/zinc/29/94/40/912299440.db2.gz GVPZMHOKFCDHIE-SNVBAGLBSA-N 1 0 268.313 1.734 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1COC1 ZINC001173227661 912321475 /nfs/dbraw/zinc/32/14/75/912321475.db2.gz RYWYZIOWJVQIMB-SNVBAGLBSA-N 1 0 250.298 1.856 20 5 CDBDRO CCNC(=O)C[N@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173228993 912323466 /nfs/dbraw/zinc/32/34/66/912323466.db2.gz PHOFOVDAERGIOS-LLVKDONJSA-N 1 0 279.340 1.594 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCNC1=O ZINC001173213875 912335034 /nfs/dbraw/zinc/33/50/34/912335034.db2.gz LNSHCFGLBDFMLI-ZWNOBZJWSA-N 1 0 277.324 1.394 20 5 CDBDRO CC(C)[C@@](C)(Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)C(N)=O ZINC001167415339 895591436 /nfs/dbraw/zinc/59/14/36/895591436.db2.gz NNRAXNKYNQUOEH-CQSZACIVSA-N 1 0 292.339 1.510 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1-n1cccc1C[NH3+] ZINC001167592809 896943297 /nfs/dbraw/zinc/94/32/97/896943297.db2.gz FNAGJPCPYRYYOL-UHFFFAOYSA-N 1 0 275.264 1.631 20 5 CDBDRO [NH2+]=C(NCCCC[NH3+])Nc1c(Cl)nccc1[N+](=O)[O-] ZINC001167877387 901592272 /nfs/dbraw/zinc/59/22/72/901592272.db2.gz CJUHGAWHTPMYOE-UHFFFAOYSA-N 1 0 286.723 1.318 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(O[C@@H]2CC[N@H+](C)C2)c1 ZINC001226442402 905189229 /nfs/dbraw/zinc/18/92/29/905189229.db2.gz BAHNBYSDJWDPET-SNVBAGLBSA-N 1 0 252.270 1.686 20 5 CDBDRO COc1nc(O[C@@H](C)C[N+](C)(C)C)cc(C(F)(F)F)n1 ZINC001229150800 908001268 /nfs/dbraw/zinc/00/12/68/908001268.db2.gz BDHKWMNHSHHHRR-QMMMGPOBSA-N 1 0 294.297 1.978 20 5 CDBDRO Cc1nnc(C[NH3+])n1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254551062 936407962 /nfs/dbraw/zinc/40/79/62/936407962.db2.gz WPLOPEFPROMKFR-VIFPVBQESA-N 1 0 275.312 1.757 20 5 CDBDRO Cc1c(NC(=[NH2+])N2CCN(C)CC2)cc(F)cc1[N+](=O)[O-] ZINC001168735613 921848464 /nfs/dbraw/zinc/84/84/64/921848464.db2.gz CWTAWTZZRJESHR-UHFFFAOYSA-N 1 0 295.318 1.636 20 5 CDBDRO CO[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000706580916 923068814 /nfs/dbraw/zinc/06/88/14/923068814.db2.gz AGBFVDZAJQXTKF-DRZSPHRISA-N 1 0 266.297 1.395 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2CCC3(CCCC[NH2+]3)CC2)n1 ZINC001165246872 925007018 /nfs/dbraw/zinc/00/70/18/925007018.db2.gz RXRCAOPFSGTUIR-UHFFFAOYSA-N 1 0 291.355 1.806 20 5 CDBDRO CN(c1nc(Cl)nc2ccc([N+](=O)[O-])cc21)C1C[NH2+]C1 ZINC001166978744 925386315 /nfs/dbraw/zinc/38/63/15/925386315.db2.gz ZZWXFXLODYEPTK-UHFFFAOYSA-N 1 0 293.714 1.599 20 5 CDBDRO C[C@@H]1C[C@@H](CNc2ncc([N+](=O)[O-])cc2F)C[NH2+]1 ZINC001155101161 926534342 /nfs/dbraw/zinc/53/43/42/926534342.db2.gz NCCXEUMIERVLGG-HTQZYQBOSA-N 1 0 254.265 1.539 20 5 CDBDRO COc1cnc(N[C@@H]2CC[NH2+][C@@H]2C)c([N+](=O)[O-])c1 ZINC001155187478 926633276 /nfs/dbraw/zinc/63/32/76/926633276.db2.gz GLALTJZHKZNMCF-VXNVDRBHSA-N 1 0 252.274 1.161 20 5 CDBDRO [NH3+][C@H]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000843346530 937140150 /nfs/dbraw/zinc/14/01/50/937140150.db2.gz NGBPOZKSMUFTLG-VIFPVBQESA-N 1 0 298.730 1.220 20 5 CDBDRO [NH3+][C@H]1CCN(c2ccc3c(cccc3[N+](=O)[O-])n2)C1 ZINC001156228160 927485306 /nfs/dbraw/zinc/48/53/06/927485306.db2.gz BLKDWBMWLGMERJ-VIFPVBQESA-N 1 0 258.281 1.680 20 5 CDBDRO COc1ccc([C@H](CO)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168978452 927566249 /nfs/dbraw/zinc/56/62/49/927566249.db2.gz SIQFFRGFPIBMGY-ZLDLUXBVSA-N 1 0 294.351 1.764 20 5 CDBDRO [NH3+]Cc1ccc2nnn([C@@H]3CC[C@H](C[N+](=O)[O-])C3)c2c1 ZINC001168983374 927571167 /nfs/dbraw/zinc/57/11/67/927571167.db2.gz JTPMKUHKQXKJHV-WDEREUQCSA-N 1 0 275.312 1.508 20 5 CDBDRO CC1CCN(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168957860 927579082 /nfs/dbraw/zinc/57/90/82/927579082.db2.gz JUYQTWIDLMXTKH-KBPBESRZSA-N 1 0 269.389 1.753 20 5 CDBDRO N=c1cc(C[NH3+])ccn1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968891 927592079 /nfs/dbraw/zinc/59/20/79/927592079.db2.gz ASWCKWGVECCEDH-QWRGUYRKSA-N 1 0 250.302 1.044 20 5 CDBDRO COC(=O)CCCCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168973281 927596550 /nfs/dbraw/zinc/59/65/50/927596550.db2.gz NRYOFEJQTAPZAH-NWDGAFQWSA-N 1 0 272.345 1.755 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc(F)n2)C1 ZINC001168973499 927596561 /nfs/dbraw/zinc/59/65/61/927596561.db2.gz OUXMIHZHACJPRB-UWVGGRQHSA-N 1 0 253.277 1.756 20 5 CDBDRO [NH3+]Cc1nc2cnccc2n1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169000931 927605248 /nfs/dbraw/zinc/60/52/48/927605248.db2.gz ZPXFUELWZSALRN-NXEZZACHSA-N 1 0 275.312 1.508 20 5 CDBDRO [NH3+]C[C@H](CO)c1ccc(N[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169004169 927608288 /nfs/dbraw/zinc/60/82/88/927608288.db2.gz QJPDXUKKYNUOFV-KYOSRNDESA-N 1 0 293.367 1.579 20 5 CDBDRO C[C@]1(O)CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169008062 927612216 /nfs/dbraw/zinc/61/22/16/927612216.db2.gz RILSWJRQCICKFM-XQQFMLRXSA-N 1 0 256.346 1.669 20 5 CDBDRO COC1(C)CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169009510 927614006 /nfs/dbraw/zinc/61/40/06/927614006.db2.gz WSQBKNBQLIOPQO-VXGBXAGGSA-N 1 0 256.346 1.933 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC3(CCO3)CC2)C1 ZINC001169033258 927642095 /nfs/dbraw/zinc/64/20/95/927642095.db2.gz BPONDPSEFXJXBD-NWDGAFQWSA-N 1 0 254.330 1.687 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(n3ccnc3)CC2)C1 ZINC001169037105 927646897 /nfs/dbraw/zinc/64/68/97/927646897.db2.gz IYSBJBZEUVRDCM-OCCSQVGLSA-N 1 0 278.356 1.965 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCN3CC(F)(F)C[C@H]3C2)C1 ZINC001169037052 927646903 /nfs/dbraw/zinc/64/69/03/927646903.db2.gz IDQHMOIOSRAXHB-UTUOFQBUSA-N 1 0 289.326 1.457 20 5 CDBDRO Cn1ncc2c1CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169043818 927657048 /nfs/dbraw/zinc/65/70/48/927657048.db2.gz HVZAVBKJWSGWON-ZYHUDNBSSA-N 1 0 264.329 1.224 20 5 CDBDRO O=C1CC[C@]2(CCC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)O1 ZINC001169044821 927657168 /nfs/dbraw/zinc/65/71/68/927657168.db2.gz IYQWWZJJRLTGOV-SCRDCRAPSA-N 1 0 282.340 1.603 20 5 CDBDRO CCOc1cnc(-n2c(C)cnc2C[NH3+])c([N+](=O)[O-])c1 ZINC001169020291 927659924 /nfs/dbraw/zinc/65/99/24/927659924.db2.gz KFQBSSWGMWYGRS-UHFFFAOYSA-N 1 0 277.284 1.341 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+](CCO)Cc2cccs2)C1 ZINC001169023189 927662680 /nfs/dbraw/zinc/66/26/80/927662680.db2.gz DJGZWSIQYDIPDE-NEPJUHHUSA-N 1 0 284.381 1.988 20 5 CDBDRO CC[N@H+](CCn1ccnc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169049143 927666238 /nfs/dbraw/zinc/66/62/38/927666238.db2.gz VZXDBLBSXXZPKE-OLZOCXBDSA-N 1 0 266.345 1.650 20 5 CDBDRO CCNC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169051286 927669008 /nfs/dbraw/zinc/66/90/08/927669008.db2.gz CRWKRDRHJJTBMR-TUAOUCFPSA-N 1 0 269.345 1.032 20 5 CDBDRO CCN(C(C)=O)C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169057969 927674237 /nfs/dbraw/zinc/67/42/37/927674237.db2.gz ZPSPWISZBQGDPZ-UKRRQHHQSA-N 1 0 297.399 1.765 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCOCC2)cc1 ZINC000776579130 927755103 /nfs/dbraw/zinc/75/51/03/927755103.db2.gz JZMFPLWHXSTKNL-CYBMUJFWSA-N 1 0 266.297 1.351 20 5 CDBDRO C[C@@H]([NH3+])c1ccn(-c2ncnc(Cl)c2[N+](=O)[O-])n1 ZINC001169227988 927826451 /nfs/dbraw/zinc/82/64/51/927826451.db2.gz JVDDNNGSBZEMLI-RXMQYKEDSA-N 1 0 268.664 1.244 20 5 CDBDRO COc1nc(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001156376869 928437811 /nfs/dbraw/zinc/43/78/11/928437811.db2.gz VJTXNLRKFKVFKO-QMTHXVAHSA-N 1 0 292.339 1.386 20 5 CDBDRO C[C@H]([NH3+])CN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000863568822 929572388 /nfs/dbraw/zinc/57/23/88/929572388.db2.gz NMJQFTXPCZGCOQ-JTQLQIEISA-N 1 0 280.328 1.202 20 5 CDBDRO C[NH+](C)CCCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC001120791818 937836075 /nfs/dbraw/zinc/83/60/75/937836075.db2.gz ASDTXBNMVIDSQO-UHFFFAOYSA-N 1 0 264.289 1.001 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(N[C@H]3C[NH2+]C[C@H]3CO)ccc2c1 ZINC001170772971 929912410 /nfs/dbraw/zinc/91/24/10/929912410.db2.gz KJXKMKKLCDKZPD-GWCFXTLKSA-N 1 0 288.307 1.135 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC3(CC2)OCCCO3)n1 ZINC000815153747 929947387 /nfs/dbraw/zinc/94/73/87/929947387.db2.gz HZUSQYGOKKQPMU-UHFFFAOYSA-N 1 0 296.327 1.020 20 5 CDBDRO COc1cc(C)nc(N[C@H](C)[C@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001159500202 930315764 /nfs/dbraw/zinc/31/57/64/930315764.db2.gz WLWPPDFQAHGUIU-MWLCHTKSSA-N 1 0 296.327 1.096 20 5 CDBDRO C[NH2+][C@@H](CC(C)C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000884070282 930432351 /nfs/dbraw/zinc/43/23/51/930432351.db2.gz HATKYMDMSNLCOS-ZDUSSCGKSA-N 1 0 279.340 1.845 20 5 CDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000819105846 930759237 /nfs/dbraw/zinc/75/92/37/930759237.db2.gz QFBTYKFAZAYKCL-ZLDLUXBVSA-N 1 0 293.367 1.701 20 5 CDBDRO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000886127585 930810110 /nfs/dbraw/zinc/81/01/10/930810110.db2.gz NLRANFMBQQRROD-JQWIXIFHSA-N 1 0 265.313 1.895 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H](CCCO)C1 ZINC000886239402 930836424 /nfs/dbraw/zinc/83/64/24/930836424.db2.gz WDBUYOXKXXDOBQ-NSHDSACASA-N 1 0 265.313 1.584 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000886841219 930973365 /nfs/dbraw/zinc/97/33/65/930973365.db2.gz FPCQCJGGNGHTGZ-WCQYABFASA-N 1 0 276.340 1.564 20 5 CDBDRO C[C@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000823218542 931274413 /nfs/dbraw/zinc/27/44/13/931274413.db2.gz KSKNIOXKMWRIBP-VHSXEESVSA-N 1 0 265.313 1.722 20 5 CDBDRO [NH3+]CCCCCC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118135741 937595133 /nfs/dbraw/zinc/59/51/33/937595133.db2.gz SBJDBBJAFOVYNN-UHFFFAOYSA-N 1 0 277.324 1.956 20 5 CDBDRO CNc1ccc(C(=O)NCC[C@@H](C)[NH2+]C)cc1[N+](=O)[O-] ZINC001118205525 937602585 /nfs/dbraw/zinc/60/25/85/937602585.db2.gz LDEJAIWEALPUJF-SECBINFHSA-N 1 0 280.328 1.364 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001155034261 937624342 /nfs/dbraw/zinc/62/43/42/937624342.db2.gz ZJPUPYDQACZXNF-XPUUQOCRSA-N 1 0 258.228 1.241 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1cc(Cl)ncc1[N+](=O)[O-] ZINC001155187573 937646301 /nfs/dbraw/zinc/64/63/01/937646301.db2.gz LHVNBQDNVLLPKX-RNFRBKRXSA-N 1 0 256.693 1.806 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001155187631 937646549 /nfs/dbraw/zinc/64/65/49/937646549.db2.gz CYBQYOKHMGUBFM-VXNVDRBHSA-N 1 0 261.285 1.633 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000687790855 934415440 /nfs/dbraw/zinc/41/54/40/934415440.db2.gz ZCWMCNMDPZSDSH-ZETCQYMHSA-N 1 0 271.704 1.586 20 5 CDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccoc1 ZINC001123501053 936171883 /nfs/dbraw/zinc/17/18/83/936171883.db2.gz FVYOLOABCLJLQU-UHFFFAOYSA-N 1 0 295.320 1.769 20 5 CDBDRO C[NH2+]CCCC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001122511147 937938520 /nfs/dbraw/zinc/93/85/20/937938520.db2.gz HGQGBKYHGJTCRE-UHFFFAOYSA-N 1 0 251.286 1.841 20 5 CDBDRO [NH3+][C@@H]1CCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C1 ZINC001156224742 938337667 /nfs/dbraw/zinc/33/76/67/938337667.db2.gz ZGJZJEUNBAHWJN-SSDOTTSWSA-N 1 0 292.673 1.726 20 5 CDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@H+](C)C1 ZINC001156581231 938388453 /nfs/dbraw/zinc/38/84/53/938388453.db2.gz WTUPLRILJRCNDZ-VIFPVBQESA-N 1 0 294.311 1.283 20 5 CDBDRO COc1cc2ncnc(-n3cccc3C[NH3+])c2cc1[N+](=O)[O-] ZINC001156730462 938411541 /nfs/dbraw/zinc/41/15/41/938411541.db2.gz CVWNVYHYIZSERB-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCCN1c1cc(Cl)ncc1[N+](=O)[O-] ZINC001157732249 938537288 /nfs/dbraw/zinc/53/72/88/938537288.db2.gz IQPBZRQUVQDYNA-YUMQZZPRSA-N 1 0 270.720 1.959 20 5 CDBDRO [NH3+]C[C@@]1(F)CCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC001157813043 938549871 /nfs/dbraw/zinc/54/98/71/938549871.db2.gz OMKJHTNGJYTYAK-JTQLQIEISA-N 1 0 258.228 1.006 20 5 CDBDRO [NH3+][C@H]1CCc2nn(-c3ncc([N+](=O)[O-])cc3F)cc2C1 ZINC001157990563 938572743 /nfs/dbraw/zinc/57/27/43/938572743.db2.gz UWVDEJHEQKRGKR-QMMMGPOBSA-N 1 0 277.259 1.131 20 5 CDBDRO Cc1cnc(C[NH3+])n1-c1nc(Cl)nc(C)c1[N+](=O)[O-] ZINC001158163501 938588276 /nfs/dbraw/zinc/58/82/76/938588276.db2.gz VWFNGELLQACMRS-UHFFFAOYSA-N 1 0 282.691 1.299 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(NCC[C@H]2CCC[NH2+]2)n1 ZINC001158627062 938643599 /nfs/dbraw/zinc/64/35/99/938643599.db2.gz CXEIFLAYLZIISJ-SECBINFHSA-N 1 0 251.290 1.247 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1N1CCC2(C[NH2+]C2)CC1 ZINC001159042012 938695107 /nfs/dbraw/zinc/69/51/07/938695107.db2.gz LTVPGTQIBJZHRN-UHFFFAOYSA-N 1 0 266.276 1.319 20 5 CDBDRO CN(CC[NH3+])CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001159438175 938727902 /nfs/dbraw/zinc/72/79/02/938727902.db2.gz RATAJRWMWGOZMR-UHFFFAOYSA-N 1 0 289.339 1.445 20 5 CDBDRO [NH3+]C1CCN(CCNc2cc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001161866896 938937201 /nfs/dbraw/zinc/93/72/01/938937201.db2.gz FSEAEYVSUHVKCU-UHFFFAOYSA-N 1 0 299.762 1.478 20 5 CDBDRO [NH3+]Cc1cn(-c2ccnc3c2cccc3[N+](=O)[O-])cn1 ZINC001162303949 938975814 /nfs/dbraw/zinc/97/58/14/938975814.db2.gz BFAPWNFZCFFWDJ-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1NC[C@H]1C[NH2+][C@H](C)C1 ZINC001162558518 939087650 /nfs/dbraw/zinc/08/76/50/939087650.db2.gz VGJJZDQQSLSOIG-RKDXNWHRSA-N 1 0 266.301 1.408 20 5 CDBDRO [NH3+]Cc1ccnn1-c1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001162593671 939097183 /nfs/dbraw/zinc/09/71/83/939097183.db2.gz OQRXQJLJSJMZKU-UHFFFAOYSA-N 1 0 257.253 1.721 20 5 CDBDRO CC[N@@H+]1CCCN(c2nc(C)ncc2[N+](=O)[O-])CC1 ZINC001163773436 939328130 /nfs/dbraw/zinc/32/81/30/939328130.db2.gz BUDRFXFNACAPHF-UHFFFAOYSA-N 1 0 265.317 1.225 20 5 CDBDRO COc1nc(N(CCC[NH3+])C(C)C)nc(C)c1[N+](=O)[O-] ZINC001164122334 939413417 /nfs/dbraw/zinc/41/34/17/939413417.db2.gz FPNQBWYEDVDDKR-UHFFFAOYSA-N 1 0 283.332 1.265 20 5 CDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N1CC[C@@H]([NH3+])C1 ZINC001164282139 939445569 /nfs/dbraw/zinc/44/55/69/939445569.db2.gz UDVZTGSOPZLLEM-SECBINFHSA-N 1 0 279.296 1.309 20 5 CDBDRO COc1cc(N2CCC[C@H]2C[NH+](C)C)ncc1[N+](=O)[O-] ZINC001165073899 939507364 /nfs/dbraw/zinc/50/73/64/939507364.db2.gz XDYPGJOGGNQDSQ-JTQLQIEISA-N 1 0 280.328 1.529 20 5 CDBDRO COCCC[NH+]1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC001165095569 939509479 /nfs/dbraw/zinc/50/94/79/939509479.db2.gz WXNBKLKYIHVHHB-UHFFFAOYSA-N 1 0 294.355 1.457 20 5 CDBDRO C[NH+](C)C[C@]12C[C@H]1CN(c1cccc([N+](=O)[O-])n1)C2 ZINC001165180548 939520860 /nfs/dbraw/zinc/52/08/60/939520860.db2.gz DEGPHNWFLYELJL-GWCFXTLKSA-N 1 0 262.313 1.378 20 5 CDBDRO Cc1nc(Cl)nc(-n2ncc3c2CC[NH2+]C3)c1[N+](=O)[O-] ZINC001165219339 939526423 /nfs/dbraw/zinc/52/64/23/939526423.db2.gz XGCFYNIYQIKHFS-UHFFFAOYSA-N 1 0 294.702 1.178 20 5 CDBDRO [NH3+][C@]12C[C@H]1CN(c1nc3ccccc3cc1[N+](=O)[O-])C2 ZINC001165316227 939544875 /nfs/dbraw/zinc/54/48/75/939544875.db2.gz XAJLHLRNLBRZQB-HZMBPMFUSA-N 1 0 270.292 1.680 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]4[NH2+]C[C@@H]43)cnc2c1 ZINC001165388992 939556781 /nfs/dbraw/zinc/55/67/81/939556781.db2.gz DKVJHMLYGOMQIG-AAEUAGOBSA-N 1 0 285.307 1.479 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001165430397 939563573 /nfs/dbraw/zinc/56/35/73/939563573.db2.gz AHGBYLAVQHTRAD-WPRPVWTQSA-N 1 0 295.318 1.085 20 5 CDBDRO [NH3+][C@@H]1CCN(c2cc([N+](=O)[O-])cc(Cl)n2)CC1(F)F ZINC001166959717 939661157 /nfs/dbraw/zinc/66/11/57/939661157.db2.gz IZROGCSZSYWDGX-SSDOTTSWSA-N 1 0 292.673 1.816 20 5 CDBDRO COc1ccc(OC)c(C(=O)CO[C@H](C)C[N+](C)(C)C)c1 ZINC001204769191 939788877 /nfs/dbraw/zinc/78/88/77/939788877.db2.gz XUOCYCNFMUDHGZ-GFCCVEGCSA-N 1 0 296.387 1.998 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCc1nc2ccccc2[nH]c1=O ZINC001211361883 940750867 /nfs/dbraw/zinc/75/08/67/940750867.db2.gz XIZMTYBXDHIZSH-NSHDSACASA-O 1 0 276.360 1.947 20 5 CDBDRO Nc1ccc(O[C@@H]2CCC[NH2+]C[C@@H]2F)cc1[N+](=O)[O-] ZINC001217951102 941031869 /nfs/dbraw/zinc/03/18/69/941031869.db2.gz OKRYKGQSGUKBGF-JOYOIKCWSA-N 1 0 269.276 1.646 20 5 CDBDRO CCOC(=O)c1ccc(O[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218281593 941050868 /nfs/dbraw/zinc/05/08/68/941050868.db2.gz JBNMONGGXUJMKW-LLVKDONJSA-N 1 0 294.307 1.902 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CO[C@H](C[N+](=O)[O-])c1cccnc1 ZINC001224701386 941784568 /nfs/dbraw/zinc/78/45/68/941784568.db2.gz FKPUOVRVUMXBJF-UONOGXRCSA-N 1 0 279.340 1.900 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OCCCC[NH+](C)C ZINC001224990953 941811536 /nfs/dbraw/zinc/81/15/36/941811536.db2.gz JIEIMGZHRZLCRK-LLVKDONJSA-N 1 0 284.360 1.847 20 5 CDBDRO COCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])nc2)CC1 ZINC001226711935 942054667 /nfs/dbraw/zinc/05/46/67/942054667.db2.gz IOMGVXLAHJRVCA-UHFFFAOYSA-N 1 0 281.312 1.479 20 5 CDBDRO C[N@@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001227108098 942133725 /nfs/dbraw/zinc/13/37/25/942133725.db2.gz JXDRSSFTVXMAFS-JTQLQIEISA-N 1 0 296.283 1.761 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1OCC[N@H+]1CC[C@@H](OC)C1 ZINC001227186026 942145896 /nfs/dbraw/zinc/14/58/96/942145896.db2.gz BQMZIGOYOHBKJE-GFCCVEGCSA-N 1 0 296.323 1.703 20 5 CDBDRO CC(C)N1C(=S)N=NC1O[C@@H](C)C[N+](C)(C)C ZINC001227228034 942153229 /nfs/dbraw/zinc/15/32/29/942153229.db2.gz OPRYTCYTQYMCEW-VIFPVBQESA-O 1 0 259.399 1.621 20 5 CDBDRO Cc1cccc2[nH]c(OC(=O)C[C@@H](O)C[N+](C)(C)C)nc21 ZINC001227272080 942161536 /nfs/dbraw/zinc/16/15/36/942161536.db2.gz QOIBFHJVCRYSQD-LLVKDONJSA-N 1 0 292.359 1.234 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])cc(F)c2F)C1 ZINC001228023696 942259400 /nfs/dbraw/zinc/25/94/00/942259400.db2.gz KMZVIUXLEWZHIS-MRVPVSSYSA-N 1 0 258.224 1.956 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OC1N=NC(=O)N1c1ccccc1 ZINC001228130814 942272537 /nfs/dbraw/zinc/27/25/37/942272537.db2.gz FXVBTBGJGOEOKA-NSHDSACASA-O 1 0 277.348 1.446 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cnc2c(c1)CCCC2 ZINC001228779848 942374969 /nfs/dbraw/zinc/37/49/69/942374969.db2.gz YEDODRWBTMNRFM-CYBMUJFWSA-N 1 0 293.387 1.323 20 5 CDBDRO O=[N+]([O-])c1ccncc1OC1CC[NH+](C2CC2)CC1 ZINC001228879487 942387319 /nfs/dbraw/zinc/38/73/19/942387319.db2.gz GVXGXXPLAQVTCG-UHFFFAOYSA-N 1 0 263.297 1.995 20 5 CDBDRO C[C@H](C[NH+](C)C)Oc1ccc([N+](=O)[O-])c(Cl)n1 ZINC001228935116 942397338 /nfs/dbraw/zinc/39/73/38/942397338.db2.gz ZALJPERSRYXTCQ-SSDOTTSWSA-N 1 0 259.693 1.972 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1nc(Cl)nc2ncn(C)c21 ZINC001229029862 942409842 /nfs/dbraw/zinc/40/98/42/942409842.db2.gz JUAZGIGBTKCJJS-MRVPVSSYSA-N 1 0 284.771 1.490 20 5 CDBDRO Cc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(Cl)n1 ZINC001229430242 942471575 /nfs/dbraw/zinc/47/15/75/942471575.db2.gz VFYVGDVSBHBHKL-SNVBAGLBSA-N 1 0 287.767 1.406 20 5 CDBDRO COCC[NH+]1CCC(Oc2c(C)ccnc2[N+](=O)[O-])CC1 ZINC001233556839 943615526 /nfs/dbraw/zinc/61/55/26/943615526.db2.gz PKGNDPLVXVLZIG-UHFFFAOYSA-N 1 0 295.339 1.788 20 5 CDBDRO C[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC001263236367 943799067 /nfs/dbraw/zinc/79/90/67/943799067.db2.gz LKSQRQJNRXFVLL-WZRBSPASSA-N 1 0 291.351 1.813 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000382435956 943938513 /nfs/dbraw/zinc/93/85/13/943938513.db2.gz VREPISNNJWIRTB-VHSXEESVSA-N 1 0 250.302 1.980 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)CF ZINC001254546987 947519307 /nfs/dbraw/zinc/51/93/07/947519307.db2.gz BHJJNWSPTDOCFJ-GXSJLCMTSA-N 1 0 256.277 1.446 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@H](O)c1ccccn1)C2 ZINC001254578561 947535262 /nfs/dbraw/zinc/53/52/62/947535262.db2.gz MKTBDWHTHWQJCT-BBRMVZONSA-N 1 0 299.330 1.780 20 5 CDBDRO Cc1cnc(C[NH3+])n1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254575371 947535298 /nfs/dbraw/zinc/53/52/98/947535298.db2.gz QECNXWHJPVJGQY-CYBMUJFWSA-N 1 0 272.308 1.898 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCC[C@H]1CO)C2 ZINC001254589810 947542008 /nfs/dbraw/zinc/54/20/08/947542008.db2.gz RGAKOBGYQBXXIR-WHOFXGATSA-N 1 0 276.336 1.813 20 5 CDBDRO CC1(C)C(=O)NC[C@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254589572 947542571 /nfs/dbraw/zinc/54/25/71/947542571.db2.gz PEPOKDOOPBAJEA-DGCLKSJQSA-N 1 0 289.335 1.176 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC12C[NH2+]C2 ZINC001246447267 948178297 /nfs/dbraw/zinc/17/82/97/948178297.db2.gz VCWAONYTDOFXNF-GXFFZTMASA-N 1 0 261.325 1.477 20 5 CDBDRO [NH3+][C@@H]1C[C@H](F)CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246571095 948292379 /nfs/dbraw/zinc/29/23/79/948292379.db2.gz DBEXXDYLJSHIOK-OUCADQQQSA-N 1 0 279.315 1.433 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246629105 948364941 /nfs/dbraw/zinc/36/49/41/948364941.db2.gz DLTMCNSZPOBGIO-OSAQELSMSA-N 1 0 275.352 1.962 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C[C@@H]2CCC[NH2+]2)n1 ZINC001247974190 948907489 /nfs/dbraw/zinc/90/74/89/948907489.db2.gz QFRGMJAQHDOXJZ-QMMMGPOBSA-N 1 0 293.258 1.473 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CCC[NH2+]C2)n1 ZINC001248203383 948967324 /nfs/dbraw/zinc/96/73/24/948967324.db2.gz OPXBNUJUQXPIKS-ZETCQYMHSA-N 1 0 293.258 1.646 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNc1c(C)cncc1[N+](=O)[O-] ZINC001324416062 953378124 /nfs/dbraw/zinc/37/81/24/953378124.db2.gz BPOHORVCKSCMMW-NSHDSACASA-N 1 0 264.329 1.616 20 5 CDBDRO CCC[NH2+]CCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001325372578 953868333 /nfs/dbraw/zinc/86/83/33/953868333.db2.gz QLOJSVVKMYBAIO-UHFFFAOYSA-N 1 0 292.339 1.620 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326810085 954564676 /nfs/dbraw/zinc/56/46/76/954564676.db2.gz JNZGMMNFQFKAID-VHSXEESVSA-N 1 0 292.339 1.746 20 5 CDBDRO CC(C)CNC(=O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC001327149941 954737066 /nfs/dbraw/zinc/73/70/66/954737066.db2.gz HRNOWWIOKKGSOS-ZDUSSCGKSA-N 1 0 291.351 1.944 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC001327800405 955051252 /nfs/dbraw/zinc/05/12/52/955051252.db2.gz LHHWPGSIUBOMGM-PHIMTYICSA-N 1 0 264.329 1.827 20 5 CDBDRO C[C@H](NC(=O)Cc1ncc[nH]1)c1ccccc1[N+](=O)[O-] ZINC001303300342 956074766 /nfs/dbraw/zinc/07/47/66/956074766.db2.gz JVGKOXSDRCZRGT-VIFPVBQESA-N 1 0 274.280 1.738 20 5 CDBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2nn(C)cc2[N+](=O)[O-])C1 ZINC001306917046 956348651 /nfs/dbraw/zinc/34/86/51/956348651.db2.gz BXCFOCSTRZGOIX-LLVKDONJSA-N 1 0 297.359 1.097 20 5 CDBDRO C[C@@H](NC(=O)N1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC001335646759 959951303 /nfs/dbraw/zinc/95/13/03/959951303.db2.gz PNONJKWLGFGVSJ-LLVKDONJSA-N 1 0 292.339 1.661 20 5 CDBDRO CSC[C@H](O)C[NH2+]CCNc1ccccc1[N+](=O)[O-] ZINC001335933025 960106656 /nfs/dbraw/zinc/10/66/56/960106656.db2.gz CEKOZFXISNVSOW-SNVBAGLBSA-N 1 0 285.369 1.320 20 5 CDBDRO C[C@H](NC(=O)[C@@H]([NH3+])CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001340997817 963229284 /nfs/dbraw/zinc/22/92/84/963229284.db2.gz YXSLIPMSMUDYJL-ZANVPECISA-N 1 0 277.324 1.899 20 5 CDBDRO O=C(NC[C@@H]1CCCCC[NH2+]1)c1cc(F)ccc1[N+](=O)[O-] ZINC001342207172 963672873 /nfs/dbraw/zinc/67/28/73/963672873.db2.gz XEBTWVPTYHDSTQ-NSHDSACASA-N 1 0 295.314 1.996 20 5 CDBDRO CC(C)c1ccc(C(=O)NCC2([NH3+])CC2)cc1[N+](=O)[O-] ZINC001342927615 963861353 /nfs/dbraw/zinc/86/13/53/963861353.db2.gz GFWOIAYIAVEPQB-UHFFFAOYSA-N 1 0 277.324 1.939 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])cc1[N+](=O)[O-] ZINC001343015781 963884786 /nfs/dbraw/zinc/88/47/86/963884786.db2.gz WBHXTAJQBDYVQD-WFASDCNBSA-N 1 0 289.335 1.857 20 5 CDBDRO [NH3+]C1CC2(C1)CC(NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C2 ZINC001343532811 964028138 /nfs/dbraw/zinc/02/81/38/964028138.db2.gz VQDZQRJCGLIDIL-UHFFFAOYSA-N 1 0 293.298 1.734 20 5 CDBDRO Nc1cc(N2CC[NH+](C3CCC3)CC2)ncc1[N+](=O)[O-] ZINC001354110207 968484363 /nfs/dbraw/zinc/48/43/63/968484363.db2.gz XVAIQHOJIYIAHP-UHFFFAOYSA-N 1 0 277.328 1.247 20 5 CDBDRO Cc1cc(NC(=O)C[C@H]2C[NH2+]CCO2)cc([N+](=O)[O-])c1 ZINC001515789095 969917777 /nfs/dbraw/zinc/91/77/77/969917777.db2.gz KZAUTDIFPXMFNZ-LBPRGKRZSA-N 1 0 279.296 1.220 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H](CC[NH3+])C1 ZINC000091556755 1174298916 /nfs/dbraw/zinc/29/89/16/1174298916.db2.gz MMPSESGBJOKZSV-NSHDSACASA-N 1 0 281.360 1.685 20 5 CDBDRO C[C@H](CNC(=O)C1=CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001576016587 1171315085 /nfs/dbraw/zinc/31/50/85/1171315085.db2.gz YBCIFRPYHUFXRS-LLVKDONJSA-N 1 0 289.335 1.734 20 5 CDBDRO CC[NH2+]CCNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC001577848129 1171752108 /nfs/dbraw/zinc/75/21/08/1171752108.db2.gz ZEJUQCDSJBDWRM-UHFFFAOYSA-N 1 0 295.339 1.398 20 5 CDBDRO CN(CCCCCC[NH3+])c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001578465797 1171926004 /nfs/dbraw/zinc/92/60/04/1171926004.db2.gz OWAVGJXLHOGZHC-UHFFFAOYSA-N 1 0 294.355 1.649 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(CCO)CC1 ZINC000401149614 342478214 /nfs/dbraw/zinc/47/82/14/342478214.db2.gz WFSRKPDHHJMETO-UHFFFAOYSA-N 1 0 282.344 1.194 20 5 CDBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000601150945 342482523 /nfs/dbraw/zinc/48/25/23/342482523.db2.gz JJFKWFJUYHQEFA-XVKPBYJWSA-N 1 0 278.230 1.996 20 5 CDBDRO NC(=O)C[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000589209932 342500343 /nfs/dbraw/zinc/50/03/43/342500343.db2.gz YUAUZLAECOMZHH-KTLBGCOUSA-N 1 0 289.335 1.805 20 5 CDBDRO COc1cc(NCC[N@@H+]2CC[C@H](O)C2)c(F)cc1[N+](=O)[O-] ZINC000599198905 343979337 /nfs/dbraw/zinc/97/93/37/343979337.db2.gz ALHJJGJEPBNVQX-VIFPVBQESA-N 1 0 299.302 1.221 20 5 CDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000590403699 342544037 /nfs/dbraw/zinc/54/40/37/342544037.db2.gz MXUSRUCSCFGBHB-GXFFZTMASA-N 1 0 277.324 1.759 20 5 CDBDRO C[C@H](CCO)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000097441246 342004102 /nfs/dbraw/zinc/00/41/02/342004102.db2.gz HOTGKFMDEALGHK-LLVKDONJSA-N 1 0 252.314 1.745 20 5 CDBDRO CNc1ccc(C(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC001578755083 1171995890 /nfs/dbraw/zinc/99/58/90/1171995890.db2.gz ROYPCVXFBCPPRJ-NWDGAFQWSA-N 1 0 292.339 1.492 20 5 CDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000590696094 342583658 /nfs/dbraw/zinc/58/36/58/342583658.db2.gz YXYUNAJEUWPJDV-UWVGGRQHSA-N 1 0 250.302 1.519 20 5 CDBDRO CC[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083126919 178339684 /nfs/dbraw/zinc/33/96/84/178339684.db2.gz CJJWMZAGXUZHQB-UHFFFAOYSA-N 1 0 290.323 1.874 20 5 CDBDRO CCC[NH2+]CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591278154 342624000 /nfs/dbraw/zinc/62/40/00/342624000.db2.gz RICVHWNOQFNDTN-UHFFFAOYSA-N 1 0 295.339 1.455 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591438662 342631975 /nfs/dbraw/zinc/63/19/75/342631975.db2.gz PGKPOWHKUQBKOS-CMPLNLGQSA-N 1 0 262.313 1.486 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3CC[NH2+][C@H]3C2)c(F)c1 ZINC000591447889 342632801 /nfs/dbraw/zinc/63/28/01/342632801.db2.gz CFWIITKALDYKSJ-YGRLFVJLSA-N 1 0 279.315 1.918 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000591448948 342632910 /nfs/dbraw/zinc/63/29/10/342632910.db2.gz RNNCACSLNGXHEA-JSGCOSHPSA-N 1 0 261.325 1.779 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591439676 342632128 /nfs/dbraw/zinc/63/21/28/342632128.db2.gz XRWUZCIHYWKLOR-WDEREUQCSA-N 1 0 279.344 1.308 20 5 CDBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC(=O)N1 ZINC000453588657 252327897 /nfs/dbraw/zinc/32/78/97/252327897.db2.gz LKERMFZNZREZES-ZDUSSCGKSA-N 1 0 263.297 1.353 20 5 CDBDRO Cn1c(C(=O)N(C2CC2)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000591681178 342641679 /nfs/dbraw/zinc/64/16/79/342641679.db2.gz VFZXUZQZRYRQIG-UHFFFAOYSA-N 1 0 292.339 1.290 20 5 CDBDRO COc1cccc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c1[N+](=O)[O-] ZINC000591686186 342643304 /nfs/dbraw/zinc/64/33/04/342643304.db2.gz QLWMVKZDOWJJBW-IUCAKERBSA-N 1 0 297.286 1.033 20 5 CDBDRO COC(=O)c1cc(OC[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000592158861 342670793 /nfs/dbraw/zinc/67/07/93/342670793.db2.gz XLCLULWINHPNDG-VIFPVBQESA-N 1 0 280.280 1.370 20 5 CDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCC[NH3+] ZINC000592473557 342698490 /nfs/dbraw/zinc/69/84/90/342698490.db2.gz AOKPXHTYPKHPPH-SNVBAGLBSA-N 1 0 280.328 1.202 20 5 CDBDRO CC[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592544670 342708736 /nfs/dbraw/zinc/70/87/36/342708736.db2.gz GDMLQLFBUDNYGT-UWVGGRQHSA-N 1 0 292.339 1.376 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000592545854 342708863 /nfs/dbraw/zinc/70/88/63/342708863.db2.gz ZVPJVSGZPLBVBX-KOLCDFICSA-N 1 0 290.323 1.001 20 5 CDBDRO COc1cc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000382460634 361931828 /nfs/dbraw/zinc/93/18/28/361931828.db2.gz VREYTCTVJZOUOJ-GXSJLCMTSA-N 1 0 293.323 1.461 20 5 CDBDRO Cc1c(NC(=O)CC[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000070315667 361937105 /nfs/dbraw/zinc/93/71/05/361937105.db2.gz NDMBSUFRFDCUKJ-QMMMGPOBSA-N 1 0 251.286 1.969 20 5 CDBDRO COC[C@@H](CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353144059 361995019 /nfs/dbraw/zinc/99/50/19/361995019.db2.gz BSYPEDLJJQZRAO-TXNVCOODSA-N 1 0 266.297 1.205 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCCCC[C@@H]2CO)n1 ZINC000594017168 342866244 /nfs/dbraw/zinc/86/62/44/342866244.db2.gz SUADJVZITHTPGP-LLVKDONJSA-N 1 0 268.317 1.028 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000594427140 342897080 /nfs/dbraw/zinc/89/70/80/342897080.db2.gz GJOOZCPLWISFHX-UKRRQHHQSA-N 1 0 289.335 1.601 20 5 CDBDRO COCC[C@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000088523131 342227349 /nfs/dbraw/zinc/22/73/49/342227349.db2.gz HYMYTEJFLLCHMQ-RYUDHWBXSA-N 1 0 294.355 1.901 20 5 CDBDRO CCN(CC[NH3+])CCOc1cccc([N+](=O)[O-])c1 ZINC000600715530 342244197 /nfs/dbraw/zinc/24/41/97/342244197.db2.gz GUDWGPKJSDODMX-UHFFFAOYSA-N 1 0 253.302 1.254 20 5 CDBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])n[nH]1 ZINC000594417709 342902817 /nfs/dbraw/zinc/90/28/17/342902817.db2.gz FENLUEFNKXDNAH-ONGXEEELSA-N 1 0 293.327 1.065 20 5 CDBDRO CC[C@@H](O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594521545 342917354 /nfs/dbraw/zinc/91/73/54/342917354.db2.gz SQSORFZMLREGPP-BXKDBHETSA-N 1 0 250.298 1.943 20 5 CDBDRO O=[N+]([O-])c1ncccc1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609384353 342267861 /nfs/dbraw/zinc/26/78/61/342267861.db2.gz MVGLRSHYFWHVFY-LLVKDONJSA-N 1 0 262.313 1.886 20 5 CDBDRO CC[C@H]([NH3+])c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594653696 342934674 /nfs/dbraw/zinc/93/46/74/342934674.db2.gz XWVBHIIPXHHGCA-QMMMGPOBSA-N 1 0 263.257 1.291 20 5 CDBDRO CC(C)O[C@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000185246412 534928001 /nfs/dbraw/zinc/92/80/01/534928001.db2.gz VCQLWZNJKPYIGH-OLZOCXBDSA-N 1 0 296.371 1.973 20 5 CDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@H](O)C1 ZINC000595104211 343004251 /nfs/dbraw/zinc/00/42/51/343004251.db2.gz QTWZGSNZTPCUPY-GAFUQQFSSA-N 1 0 293.323 1.425 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000595230839 343009813 /nfs/dbraw/zinc/00/98/13/343009813.db2.gz VHUDCYMQEIEZMA-MRVPVSSYSA-N 1 0 266.301 1.633 20 5 CDBDRO COc1ccc(CNC(=O)C[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000595251085 343011053 /nfs/dbraw/zinc/01/10/53/343011053.db2.gz XVZNKWBSQNABAV-UHFFFAOYSA-N 1 0 281.312 1.218 20 5 CDBDRO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000595344112 343043308 /nfs/dbraw/zinc/04/33/08/343043308.db2.gz LRSVFWVBOFQTAG-ZDUSSCGKSA-N 1 0 268.288 1.937 20 5 CDBDRO Cc1noc(CN2CCC[C@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000595372450 343041979 /nfs/dbraw/zinc/04/19/79/343041979.db2.gz JMBSGNCYHDUGJK-NSHDSACASA-N 1 0 282.344 1.854 20 5 CDBDRO O=[N+]([O-])c1cccc(Cn2cc(C3CC[NH2+]CC3)nn2)c1 ZINC000404624277 349775988 /nfs/dbraw/zinc/77/59/88/349775988.db2.gz QBXAGAHSFUNHFL-UHFFFAOYSA-N 1 0 287.323 1.702 20 5 CDBDRO Cc1noc(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000595408718 343050837 /nfs/dbraw/zinc/05/08/37/343050837.db2.gz SDTSNUZKQUXVRZ-DTWKUNHWSA-N 1 0 268.317 1.416 20 5 CDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595456120 343067476 /nfs/dbraw/zinc/06/74/76/343067476.db2.gz WDKMJYHMXNIHKU-NEPJUHHUSA-N 1 0 295.314 1.738 20 5 CDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595456121 343068214 /nfs/dbraw/zinc/06/82/14/343068214.db2.gz WDKMJYHMXNIHKU-NWDGAFQWSA-N 1 0 295.314 1.738 20 5 CDBDRO CC[N@@H+]1CCCN(Cc2onc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000595534697 343091762 /nfs/dbraw/zinc/09/17/62/343091762.db2.gz FALIOLILBRHCOX-JTQLQIEISA-N 1 0 282.344 1.807 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595566209 343099955 /nfs/dbraw/zinc/09/99/55/343099955.db2.gz GGJWZTKNRADAGQ-AAEUAGOBSA-N 1 0 277.324 1.631 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H]3CCCC[C@@H]32)n1 ZINC000595568951 343100981 /nfs/dbraw/zinc/10/09/81/343100981.db2.gz YTOBCBLWCYAEMA-QWRGUYRKSA-N 1 0 250.302 1.666 20 5 CDBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000078583529 342338603 /nfs/dbraw/zinc/33/86/03/342338603.db2.gz FCFADFWBLNKCAL-NSHDSACASA-N 1 0 264.329 1.768 20 5 CDBDRO CC(C)Oc1nc(N(C)[C@@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000565783329 365720958 /nfs/dbraw/zinc/72/09/58/365720958.db2.gz NPLOIWCXGSCMLP-VIFPVBQESA-N 1 0 268.317 1.560 20 5 CDBDRO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595876232 343178085 /nfs/dbraw/zinc/17/80/85/343178085.db2.gz RCFAWCDEWVPLTR-WFASDCNBSA-N 1 0 294.351 1.924 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000382513750 362129734 /nfs/dbraw/zinc/12/97/34/362129734.db2.gz QFKLMWPBWAUBDV-MNOVXSKESA-N 1 0 277.324 1.903 20 5 CDBDRO C[C@H](C[NH+]1CCCCC1)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596078291 343226995 /nfs/dbraw/zinc/22/69/95/343226995.db2.gz VMVCBOGFQKMVHR-SNVBAGLBSA-N 1 0 280.328 1.982 20 5 CDBDRO C[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000596079049 343227040 /nfs/dbraw/zinc/22/70/40/343227040.db2.gz XIFBBOKBIMUWSC-GHMZBOCLSA-N 1 0 293.371 1.526 20 5 CDBDRO C[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000596255701 343275980 /nfs/dbraw/zinc/27/59/80/343275980.db2.gz QVXBBSQLXCGWAT-JTQLQIEISA-N 1 0 292.339 1.616 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NCCN1C[C@@H](C)OC[C@H]1C ZINC000596434016 343320502 /nfs/dbraw/zinc/32/05/02/343320502.db2.gz WKLPJLRGMCPBQG-VXGBXAGGSA-N 1 0 294.355 1.241 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000596335847 343297757 /nfs/dbraw/zinc/29/77/57/343297757.db2.gz JMSQUXJDMGVXNV-SECBINFHSA-N 1 0 265.317 1.670 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000126642422 187253565 /nfs/dbraw/zinc/25/35/65/187253565.db2.gz RFPPPZSJAKSYIU-YPMHNXCESA-N 1 0 291.351 1.941 20 5 CDBDRO C[C@]1(NC(=O)NCc2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000597434572 343535953 /nfs/dbraw/zinc/53/59/53/343535953.db2.gz RMFIJBXMOFCIOU-ZDUSSCGKSA-N 1 0 278.312 1.146 20 5 CDBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H](C[NH3+])C1CC1 ZINC000598913512 343919025 /nfs/dbraw/zinc/91/90/25/343919025.db2.gz JSFLAFDEHKOPTK-LBPRGKRZSA-N 1 0 296.302 1.935 20 5 CDBDRO [NH3+]C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000598915730 343919580 /nfs/dbraw/zinc/91/95/80/343919580.db2.gz NHLWKHSWCAWYRO-NSHDSACASA-N 1 0 282.275 1.593 20 5 CDBDRO Cc1sc(C(=O)N[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000127073794 187279944 /nfs/dbraw/zinc/27/99/44/187279944.db2.gz QVZUUILQEZSIED-SSDOTTSWSA-N 1 0 255.299 1.056 20 5 CDBDRO Cc1cc(NCC[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])s1 ZINC000599176419 343966129 /nfs/dbraw/zinc/96/61/29/343966129.db2.gz UWJFYVWCMKHNOZ-SECBINFHSA-N 1 0 271.342 1.443 20 5 CDBDRO CC[NH2+][C@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000602438544 344417270 /nfs/dbraw/zinc/41/72/70/344417270.db2.gz CVFCFZYWUZFNCG-SECBINFHSA-N 1 0 251.286 1.209 20 5 CDBDRO Cc1c(CC(=O)N2C[C@@H]([NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000602597063 344503202 /nfs/dbraw/zinc/50/32/02/344503202.db2.gz TXDCBIUAIVTRES-SKDRFNHKSA-N 1 0 277.324 1.394 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000602597599 344503661 /nfs/dbraw/zinc/50/36/61/344503661.db2.gz VWIZRJJCNMVLOS-GXSJLCMTSA-N 1 0 263.297 1.465 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H]([NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000602598584 344503952 /nfs/dbraw/zinc/50/39/52/344503952.db2.gz LBAWXURYBVECNM-KOLCDFICSA-N 1 0 263.297 1.465 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602492678 344450568 /nfs/dbraw/zinc/45/05/68/344450568.db2.gz OMQAYLSEEPGHBP-SNVBAGLBSA-N 1 0 277.324 1.480 20 5 CDBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000602494430 344451206 /nfs/dbraw/zinc/45/12/06/344451206.db2.gz XZNIMWNBQCYWAF-KOLCDFICSA-N 1 0 293.298 1.558 20 5 CDBDRO CC(C)c1ccc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1[N+](=O)[O-] ZINC000602588104 344478314 /nfs/dbraw/zinc/47/83/14/344478314.db2.gz LCPMCCMDZPYXNK-RYUDHWBXSA-N 1 0 289.335 1.905 20 5 CDBDRO O=C1NCCC[C@@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602688408 344532443 /nfs/dbraw/zinc/53/24/43/344532443.db2.gz WDUYAJGEXXEWQE-GFCCVEGCSA-N 1 0 277.324 1.253 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](C2CCC2)CC1 ZINC000602783963 344598251 /nfs/dbraw/zinc/59/82/51/344598251.db2.gz FTCRGPWFIAXSCL-UHFFFAOYSA-N 1 0 293.371 1.270 20 5 CDBDRO C[NH+]1CCC(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000073032616 362460702 /nfs/dbraw/zinc/46/07/02/362460702.db2.gz RJGPPLPLOPXQDY-UHFFFAOYSA-N 1 0 291.351 1.595 20 5 CDBDRO COC[C@@H]1CCCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602812258 344604367 /nfs/dbraw/zinc/60/43/67/344604367.db2.gz OXRAQXFIBMAMCQ-CYBMUJFWSA-N 1 0 296.371 1.848 20 5 CDBDRO COC[C@](C)(CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000602933883 344663349 /nfs/dbraw/zinc/66/33/49/344663349.db2.gz ZDAULNIVWPJULA-LBPRGKRZSA-N 1 0 254.286 1.082 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@@H]1CCC[N@@H+]1C ZINC000602846662 344624355 /nfs/dbraw/zinc/62/43/55/344624355.db2.gz QEKHDVKXETVRGI-LBPRGKRZSA-N 1 0 281.360 1.126 20 5 CDBDRO C[NH+](C)CCc1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000603159066 344723573 /nfs/dbraw/zinc/72/35/73/344723573.db2.gz ASZXHSKIDFLWSQ-UHFFFAOYSA-N 1 0 275.312 1.339 20 5 CDBDRO [NH3+][C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000262000720 344684947 /nfs/dbraw/zinc/68/49/47/344684947.db2.gz ZWMOWNSPIJLZDE-GFCCVEGCSA-N 1 0 295.364 1.540 20 5 CDBDRO COc1cc([N+](=O)[O-])cn(CC[C@@H]2CCCC[N@@H+]2C)c1=O ZINC000603363170 344784278 /nfs/dbraw/zinc/78/42/78/344784278.db2.gz SLXZBUPRVPMPEB-NSHDSACASA-N 1 0 295.339 1.640 20 5 CDBDRO CC1(C)[C@H]([NH3+])C[C@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000603432943 344803722 /nfs/dbraw/zinc/80/37/22/344803722.db2.gz KVPIDRSJTNJLHZ-VXGBXAGGSA-N 1 0 267.304 1.949 20 5 CDBDRO C[NH+](C)CCn1cc(NC(=O)c2ccc([N+](=O)[O-])o2)cn1 ZINC000604510039 344897559 /nfs/dbraw/zinc/89/75/59/344897559.db2.gz KAIGOYMVWQGBDI-UHFFFAOYSA-N 1 0 293.283 1.198 20 5 CDBDRO C[C@@](C[NH3+])(NC(=O)c1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000127294002 187294760 /nfs/dbraw/zinc/29/47/60/187294760.db2.gz NPRGSXWDXDQPLU-ZDUSSCGKSA-N 1 0 281.287 1.591 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000159760072 362519758 /nfs/dbraw/zinc/51/97/58/362519758.db2.gz XZKSENWZZWFSKV-MRVPVSSYSA-N 1 0 255.249 1.201 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H](O)CC2)cc1 ZINC000293052497 362527766 /nfs/dbraw/zinc/52/77/66/362527766.db2.gz HZGIWGTUKIZKDO-CQSZACIVSA-N 1 0 264.325 1.984 20 5 CDBDRO C[C@H]1C[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000072871062 345378288 /nfs/dbraw/zinc/37/82/88/345378288.db2.gz GOVBIYIPCSFWSG-UWVGGRQHSA-N 1 0 277.324 1.782 20 5 CDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000127452970 187307563 /nfs/dbraw/zinc/30/75/63/187307563.db2.gz VSMUAKNMAHDXQE-CYBMUJFWSA-N 1 0 283.303 1.837 20 5 CDBDRO C[C@@H](O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000223471939 345880660 /nfs/dbraw/zinc/88/06/60/345880660.db2.gz LOWVMODXKMIJHA-LLVKDONJSA-N 1 0 279.340 1.534 20 5 CDBDRO COc1cc(C(=O)NCCC[NH2+]C(C)C)ccc1[N+](=O)[O-] ZINC000151783904 345994962 /nfs/dbraw/zinc/99/49/62/345994962.db2.gz SWZWQOFXSCCKGB-UHFFFAOYSA-N 1 0 295.339 1.721 20 5 CDBDRO CC1(C)C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000088138742 346012382 /nfs/dbraw/zinc/01/23/82/346012382.db2.gz KTJPCSQYIYWLTP-UHFFFAOYSA-N 1 0 263.297 1.419 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](C(C)(C)CO)CC2)c1 ZINC000088723397 346085419 /nfs/dbraw/zinc/08/54/19/346085419.db2.gz RBJIHASWVVTUAJ-UHFFFAOYSA-N 1 0 293.367 1.796 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000610480114 346290020 /nfs/dbraw/zinc/29/00/20/346290020.db2.gz WOQKNPUUYBMKBN-UHFFFAOYSA-N 1 0 292.339 1.291 20 5 CDBDRO CC(C)[NH2+]CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766545 346368023 /nfs/dbraw/zinc/36/80/23/346368023.db2.gz LXWVRGUOGGNSIC-JTQLQIEISA-N 1 0 265.313 1.770 20 5 CDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000423947458 535041244 /nfs/dbraw/zinc/04/12/44/535041244.db2.gz DRWBVMDMPDVPMD-SNVBAGLBSA-N 1 0 280.328 1.280 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000226770104 346522578 /nfs/dbraw/zinc/52/25/78/346522578.db2.gz OTYFRVJSNLVFFV-MRVPVSSYSA-N 1 0 268.342 1.948 20 5 CDBDRO Cc1nc(N2CC[C@@H](OCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000611132831 346616941 /nfs/dbraw/zinc/61/69/41/346616941.db2.gz UEXUTMDAIMUHSJ-GFCCVEGCSA-N 1 0 294.355 1.455 20 5 CDBDRO C[C@](C[NH3+])(NC(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000130286864 346674542 /nfs/dbraw/zinc/67/45/42/346674542.db2.gz LBKJEMCZCSFMBS-CYBMUJFWSA-N 1 0 263.297 1.452 20 5 CDBDRO Cc1cc(N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000611299134 346741038 /nfs/dbraw/zinc/74/10/38/346741038.db2.gz QKRAUQUANDKRKR-QWRGUYRKSA-N 1 0 264.329 1.827 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122599993 347661953 /nfs/dbraw/zinc/66/19/53/347661953.db2.gz ZUIKWKWATQNDMI-PWSUYJOCSA-N 1 0 277.324 1.794 20 5 CDBDRO C[NH2+]Cc1cn(Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000090295538 347651440 /nfs/dbraw/zinc/65/14/40/347651440.db2.gz HYWQMDKICWFZEF-UHFFFAOYSA-N 1 0 281.703 1.607 20 5 CDBDRO C[C@@H](CNc1ncccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000057837978 348848039 /nfs/dbraw/zinc/84/80/39/348848039.db2.gz VYNNYSKJILVETB-NSHDSACASA-N 1 0 279.344 1.038 20 5 CDBDRO C[C@H](CNc1ncccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000057837979 348848333 /nfs/dbraw/zinc/84/83/33/348848333.db2.gz VYNNYSKJILVETB-LLVKDONJSA-N 1 0 279.344 1.038 20 5 CDBDRO COC[C@](C)(O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000069911830 349110710 /nfs/dbraw/zinc/11/07/10/349110710.db2.gz QBRKBFSZKSFZMZ-SNVBAGLBSA-N 1 0 260.315 1.143 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccno3)C2)nc1 ZINC000072665108 349128298 /nfs/dbraw/zinc/12/82/98/349128298.db2.gz QCSUHUBCBONIPJ-SNVBAGLBSA-N 1 0 289.295 1.664 20 5 CDBDRO CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2C)C[C@H]1[NH+](C)C ZINC000271281373 191048407 /nfs/dbraw/zinc/04/84/07/191048407.db2.gz CMWCDWJDISKRGE-NEPJUHHUSA-N 1 0 296.396 1.780 20 5 CDBDRO CCOc1cc(OC[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000111054871 350381093 /nfs/dbraw/zinc/38/10/93/350381093.db2.gz FVAVARUJCYGIEH-JTQLQIEISA-N 1 0 266.297 1.982 20 5 CDBDRO Cc1nn(C)c(NCC[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000108079096 186202553 /nfs/dbraw/zinc/20/25/53/186202553.db2.gz FQZUBQWRHNVWLX-JTQLQIEISA-N 1 0 281.360 1.781 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1COCC[NH2+]1 ZINC000236058911 362971670 /nfs/dbraw/zinc/97/16/70/362971670.db2.gz BEMIHCMYQVIIOH-VIFPVBQESA-N 1 0 271.704 1.649 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000111303675 186393597 /nfs/dbraw/zinc/39/35/97/186393597.db2.gz NOUZFSHSQSJVNX-QMMMGPOBSA-N 1 0 271.704 1.715 20 5 CDBDRO CC[C@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000159606589 363052945 /nfs/dbraw/zinc/05/29/45/363052945.db2.gz NZINFAQQQUKAKB-LBPRGKRZSA-N 1 0 263.297 1.217 20 5 CDBDRO C[C@H]1CC[C@H]([N@H+](CCO)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000351628258 366057044 /nfs/dbraw/zinc/05/70/44/366057044.db2.gz LUNCFKARVJTYDY-RYUDHWBXSA-N 1 0 282.344 1.274 20 5 CDBDRO Cc1ccc(NC(=O)C(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000122909746 187058784 /nfs/dbraw/zinc/05/87/84/187058784.db2.gz NMWAIZHBXBKFOW-UHFFFAOYSA-N 1 0 251.286 1.827 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC3(CCC3)C2)n1 ZINC000123240051 187079690 /nfs/dbraw/zinc/07/96/90/187079690.db2.gz YQOVWJZJSJTPCJ-UHFFFAOYSA-N 1 0 250.302 1.667 20 5 CDBDRO C[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000565215770 293563733 /nfs/dbraw/zinc/56/37/33/293563733.db2.gz MUHPAOKCWGRKPN-ZJUUUORDSA-N 1 0 265.313 1.688 20 5 CDBDRO C[C@](C[NH3+])(NC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000148960816 187920261 /nfs/dbraw/zinc/92/02/61/187920261.db2.gz GTFOEXWIONYYJN-CYBMUJFWSA-N 1 0 263.297 1.452 20 5 CDBDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000292400615 198273659 /nfs/dbraw/zinc/27/36/59/198273659.db2.gz LGDDQHDFTLQPRH-GWCFXTLKSA-N 1 0 250.298 1.940 20 5 CDBDRO CNC(=O)CCC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000155068685 188180633 /nfs/dbraw/zinc/18/06/33/188180633.db2.gz LBYBCTSHXNNMMP-UHFFFAOYSA-N 1 0 295.339 1.432 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000292496880 198309985 /nfs/dbraw/zinc/30/99/85/198309985.db2.gz WZOKWXOGTIJMHV-LLVKDONJSA-N 1 0 279.340 1.831 20 5 CDBDRO CC[N@H+](CCO)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000155758040 188225959 /nfs/dbraw/zinc/22/59/59/188225959.db2.gz DHLIPMJLGGIYBL-LLVKDONJSA-N 1 0 295.339 1.544 20 5 CDBDRO COCC[NH+](CCOC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000158194855 188362294 /nfs/dbraw/zinc/36/22/94/188362294.db2.gz RJOXQPOIMDWFQK-UHFFFAOYSA-N 1 0 282.340 1.998 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCC2)cc1[N+](=O)[O-] ZINC000271758836 191309175 /nfs/dbraw/zinc/30/91/75/191309175.db2.gz FHWRXUKAOQDIAV-NSHDSACASA-N 1 0 277.324 1.786 20 5 CDBDRO [NH3+]CCCCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000577951219 356098142 /nfs/dbraw/zinc/09/81/42/356098142.db2.gz FQKAKZXAQIPOCE-UHFFFAOYSA-N 1 0 277.284 1.539 20 5 CDBDRO CC(C)(CC(N)=O)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000227061038 356167321 /nfs/dbraw/zinc/16/73/21/356167321.db2.gz ZXXKILGAGNSWFE-UHFFFAOYSA-N 1 0 269.276 1.478 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NCC[NH+]1CCC1 ZINC000358461946 356263105 /nfs/dbraw/zinc/26/31/05/356263105.db2.gz GTUFDZVKAPCQEJ-UHFFFAOYSA-N 1 0 281.287 1.098 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](CO)C1CCOCC1 ZINC000359868372 356429676 /nfs/dbraw/zinc/42/96/76/356429676.db2.gz GBIVTILDLHOTQQ-CYBMUJFWSA-N 1 0 280.324 1.472 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000127267085 538440109 /nfs/dbraw/zinc/44/01/09/538440109.db2.gz AEOGVWVVFLUEQG-XUIVZRPNSA-N 1 0 277.324 1.580 20 5 CDBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000145023221 356741148 /nfs/dbraw/zinc/74/11/48/356741148.db2.gz NUTHAYVFUGCZOZ-ZWNOBZJWSA-N 1 0 250.298 1.940 20 5 CDBDRO C[C@@H]1[C@H](O)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000590762384 358511705 /nfs/dbraw/zinc/51/17/05/358511705.db2.gz SAGBZJZXTUODNY-ZWNOBZJWSA-N 1 0 266.297 1.429 20 5 CDBDRO COc1cccc(N[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000135052655 357241080 /nfs/dbraw/zinc/24/10/80/357241080.db2.gz GMLRWJLYBMFKFC-VIFPVBQESA-N 1 0 251.286 1.767 20 5 CDBDRO CN(c1ncc(Cl)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000149423091 357299209 /nfs/dbraw/zinc/29/92/09/357299209.db2.gz AFEDWRCTBHKZHQ-QMMMGPOBSA-N 1 0 256.693 1.441 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000261973308 357349434 /nfs/dbraw/zinc/34/94/34/357349434.db2.gz NLQZVLPOOIWZOH-QWRGUYRKSA-N 1 0 292.339 1.202 20 5 CDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000283410499 357554747 /nfs/dbraw/zinc/55/47/47/357554747.db2.gz VRURJPZHHHQPLG-NSHDSACASA-N 1 0 293.323 1.644 20 5 CDBDRO CC[C@@H](CO)[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000186528340 357659371 /nfs/dbraw/zinc/65/93/71/357659371.db2.gz GRMCTBHIRZCIOM-VIFPVBQESA-N 1 0 270.285 1.170 20 5 CDBDRO CN(CC(C)(C)C[NH3+])C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135243520 357803242 /nfs/dbraw/zinc/80/32/42/357803242.db2.gz JPFGSBJMQGVHNI-UHFFFAOYSA-N 1 0 279.340 1.581 20 5 CDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC000135214302 357782672 /nfs/dbraw/zinc/78/26/72/357782672.db2.gz AMMGVEQGPPRXKY-UHFFFAOYSA-N 1 0 267.260 1.169 20 5 CDBDRO CCCN(CCC[NH+](C)C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000189265406 357990908 /nfs/dbraw/zinc/99/09/08/357990908.db2.gz ZGIPUWATWDHTLX-UHFFFAOYSA-N 1 0 283.332 1.122 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000192491795 358208735 /nfs/dbraw/zinc/20/87/35/358208735.db2.gz BNOCMNYQJABGOK-TXEJJXNPSA-N 1 0 289.335 1.537 20 5 CDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408203106 358384355 /nfs/dbraw/zinc/38/43/55/358384355.db2.gz KJOGTGLMRJMBIM-LBPRGKRZSA-N 1 0 280.328 1.335 20 5 CDBDRO Cc1c(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000132003455 358416591 /nfs/dbraw/zinc/41/65/91/358416591.db2.gz VNPTVXWHYUQRBQ-KOLCDFICSA-N 1 0 277.324 1.713 20 5 CDBDRO CC1(C)C[NH2+][C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000591674549 358576080 /nfs/dbraw/zinc/57/60/80/358576080.db2.gz XKRBCDWKWKPOAC-LLVKDONJSA-N 1 0 263.297 1.209 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@H]2CO)c1 ZINC000060856881 358848325 /nfs/dbraw/zinc/84/83/25/358848325.db2.gz VBLPZGAJQHEGCD-ZDUSSCGKSA-N 1 0 280.324 1.820 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000299918201 358976031 /nfs/dbraw/zinc/97/60/31/358976031.db2.gz JZBMEQDLOLOZKJ-YPMHNXCESA-N 1 0 261.325 1.779 20 5 CDBDRO C[C@@H]1CSC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000352815996 358940572 /nfs/dbraw/zinc/94/05/72/358940572.db2.gz MZCXEUSJFQIFDW-MWLCHTKSSA-N 1 0 295.364 1.874 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@]1(O)CCOC1 ZINC000539044172 358943586 /nfs/dbraw/zinc/94/35/86/358943586.db2.gz KFSLDTSDOGXKLH-RISCZKNCSA-N 1 0 280.324 1.705 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000274593319 358959033 /nfs/dbraw/zinc/95/90/33/358959033.db2.gz RHMCHGIRMCOJTQ-UHFFFAOYSA-N 1 0 267.285 1.354 20 5 CDBDRO Cc1ccc(C(=O)N[C@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000381386569 359041198 /nfs/dbraw/zinc/04/11/98/359041198.db2.gz QSKUYXCVAFLBAZ-RKDXNWHRSA-N 1 0 251.286 1.369 20 5 CDBDRO COC[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000338319020 359113275 /nfs/dbraw/zinc/11/32/75/359113275.db2.gz BDGQWPHYQSPOQB-QMMMGPOBSA-N 1 0 264.285 1.596 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000046464520 359173148 /nfs/dbraw/zinc/17/31/48/359173148.db2.gz UPIDHKWIPZKMGZ-UHFFFAOYSA-N 1 0 280.328 1.249 20 5 CDBDRO CCC[NH+]1CCC(Nc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000048334755 359200203 /nfs/dbraw/zinc/20/02/03/359200203.db2.gz VQNCSHQLZAAQCA-UHFFFAOYSA-N 1 0 281.360 1.923 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000570079356 359288064 /nfs/dbraw/zinc/28/80/64/359288064.db2.gz HJQDUJIZINCAIS-UWVGGRQHSA-N 1 0 280.328 1.181 20 5 CDBDRO CC(C)C[C@H]([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015946 359276171 /nfs/dbraw/zinc/27/61/71/359276171.db2.gz ILIACEHECNEWQG-NSHDSACASA-N 1 0 265.313 1.584 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000050246029 359407941 /nfs/dbraw/zinc/40/79/41/359407941.db2.gz FWESHUFKRBLDFB-QRGHLMKCSA-N 1 0 275.308 1.415 20 5 CDBDRO CC(C)[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000339825282 359463226 /nfs/dbraw/zinc/46/32/26/359463226.db2.gz ZNVBWSFLAROPHB-ZDUSSCGKSA-N 1 0 282.344 1.538 20 5 CDBDRO CCC[NH2+][C@@H](C)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000296906535 200031005 /nfs/dbraw/zinc/03/10/05/200031005.db2.gz RETUZAHDQNOQMR-JTQLQIEISA-N 1 0 277.324 1.872 20 5 CDBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000289557478 359619500 /nfs/dbraw/zinc/61/95/00/359619500.db2.gz KUHNRKLEAUUJCF-STQMWFEESA-N 1 0 277.324 1.599 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000176805818 189009995 /nfs/dbraw/zinc/00/99/95/189009995.db2.gz DIZZTTAIXURVNS-UHFFFAOYSA-N 1 0 257.315 1.290 20 5 CDBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000176375300 360254906 /nfs/dbraw/zinc/25/49/06/360254906.db2.gz WEANZEWFKXWZPX-SNVBAGLBSA-N 1 0 295.339 1.417 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000063020311 360230216 /nfs/dbraw/zinc/23/02/16/360230216.db2.gz WQZBWWFBIBHHOV-VOTSOKGWSA-N 1 0 263.297 1.462 20 5 CDBDRO CC(C)OCC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000169331688 360322234 /nfs/dbraw/zinc/32/22/34/360322234.db2.gz SGJBWWVOKGQHNY-GFCCVEGCSA-N 1 0 298.339 1.349 20 5 CDBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000385884711 360463544 /nfs/dbraw/zinc/46/35/44/360463544.db2.gz LSLWHURGSNHYGH-MWLCHTKSSA-N 1 0 268.288 1.937 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000044540791 360505012 /nfs/dbraw/zinc/50/50/12/360505012.db2.gz IKJLSJVXUJMQFC-SNVBAGLBSA-N 1 0 281.287 1.687 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(c2nc(C)ccc2[N+](=O)[O-])C1 ZINC000162853889 360574433 /nfs/dbraw/zinc/57/44/33/360574433.db2.gz FZPTZWAEBFQNCD-LLVKDONJSA-N 1 0 264.329 1.734 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000136048892 360675285 /nfs/dbraw/zinc/67/52/85/360675285.db2.gz IJDDNTZBVCXJJE-WDEREUQCSA-N 1 0 277.324 1.346 20 5 CDBDRO [NH3+]CC1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000238029216 360705145 /nfs/dbraw/zinc/70/51/45/360705145.db2.gz PPUPRPRLPVIHME-UHFFFAOYSA-N 1 0 292.339 1.204 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000178962558 189158034 /nfs/dbraw/zinc/15/80/34/189158034.db2.gz JJHAEHZVVDXDJZ-LLVKDONJSA-N 1 0 293.323 1.042 20 5 CDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CCOCC1 ZINC000179840118 189223619 /nfs/dbraw/zinc/22/36/19/189223619.db2.gz AFPLYSSDMMMVEP-NSHDSACASA-N 1 0 295.339 1.161 20 5 CDBDRO O=C1C[C@@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1 ZINC000414195980 361254275 /nfs/dbraw/zinc/25/42/75/361254275.db2.gz JNRJDALRCQFOPG-IINYFYTJSA-N 1 0 289.335 1.698 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000382423632 361352834 /nfs/dbraw/zinc/35/28/34/361352834.db2.gz CUZARMUUVPIVKO-MWLCHTKSSA-N 1 0 278.312 1.844 20 5 CDBDRO O=C1CCCN1CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582072964 364067182 /nfs/dbraw/zinc/06/71/82/364067182.db2.gz ODGGIXDJGLCPEK-CYBMUJFWSA-N 1 0 289.335 1.794 20 5 CDBDRO NC(=O)C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000175202099 364644375 /nfs/dbraw/zinc/64/43/75/364644375.db2.gz PPUXXZBFTOQRKT-LBPRGKRZSA-N 1 0 277.324 1.682 20 5 CDBDRO CC[N@H+](CCOC)CCOc1ccc([N+](=O)[O-])cc1 ZINC000299309175 364942444 /nfs/dbraw/zinc/94/24/44/364942444.db2.gz DBVBXANQMSYELM-UHFFFAOYSA-N 1 0 268.313 1.942 20 5 CDBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000457054845 365343506 /nfs/dbraw/zinc/34/35/06/365343506.db2.gz RAWFANBHHVGZEI-UHFFFAOYSA-N 1 0 280.328 1.527 20 5 CDBDRO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1O ZINC000270874608 366938765 /nfs/dbraw/zinc/93/87/65/366938765.db2.gz JOYFEEULAXEXEZ-MFKMUULPSA-N 1 0 280.324 1.806 20 5 CDBDRO C[NH2+]CCN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414822378 366959226 /nfs/dbraw/zinc/95/92/26/366959226.db2.gz GIJSLUNLLUYFCO-SNVBAGLBSA-N 1 0 280.328 1.121 20 5 CDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000389689921 367488884 /nfs/dbraw/zinc/48/88/84/367488884.db2.gz JGNXFNNLEZJZTB-SECBINFHSA-N 1 0 283.353 1.774 20 5 CDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000122656087 367567993 /nfs/dbraw/zinc/56/79/93/367567993.db2.gz QRICCDMFOWEROK-JTQLQIEISA-N 1 0 268.317 1.368 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417235965 242371949 /nfs/dbraw/zinc/37/19/49/242371949.db2.gz SIFHWRBADRCHPW-GFCCVEGCSA-N 1 0 292.339 1.270 20 5 CDBDRO C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000269241715 367971823 /nfs/dbraw/zinc/97/18/23/367971823.db2.gz YNBQDFXUVSBSSB-GXFFZTMASA-N 1 0 293.323 1.169 20 5 CDBDRO Cc1nc(NC[C@@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420271417 244005292 /nfs/dbraw/zinc/00/52/92/244005292.db2.gz CPHPEZWMBGZDRU-GHMZBOCLSA-N 1 0 264.329 1.650 20 5 CDBDRO CC(=O)c1ccc(NC[C@H]2C[NH2+]CCN2C)c([N+](=O)[O-])c1 ZINC000420275617 244011537 /nfs/dbraw/zinc/01/15/37/244011537.db2.gz OGZVUYSRUMOLLU-GFCCVEGCSA-N 1 0 292.339 1.113 20 5 CDBDRO C[C@@]1(F)C[NH2+]CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000420331884 244096959 /nfs/dbraw/zinc/09/69/59/244096959.db2.gz MRQDTLZLGZGJHS-CQSZACIVSA-N 1 0 297.330 1.607 20 5 CDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C1 ZINC000414892210 369322052 /nfs/dbraw/zinc/32/20/52/369322052.db2.gz XMXCKKZRZWBVRG-WCQYABFASA-N 1 0 263.341 1.867 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1C[C@@H](O)C1)CC2 ZINC000420932909 244471382 /nfs/dbraw/zinc/47/13/82/244471382.db2.gz IAOSFJBOQRDRJU-WJONMLJTSA-N 1 0 262.309 1.724 20 5 CDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423671806 284156352 /nfs/dbraw/zinc/15/63/52/284156352.db2.gz WZEFJNLYTQUXMN-YABSGUDNSA-N 1 0 298.302 1.091 20 5 CDBDRO CSc1ccc(C(=O)N(C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000295221760 369676393 /nfs/dbraw/zinc/67/63/93/369676393.db2.gz MWKQJILTTQENCL-UHFFFAOYSA-N 1 0 295.364 1.878 20 5 CDBDRO CSc1ccc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000295335622 369996882 /nfs/dbraw/zinc/99/68/82/369996882.db2.gz XWRMWRTUPUTWFD-GDGBQDQQSA-N 1 0 293.348 1.264 20 5 CDBDRO COc1ccc(NC(=O)/C=C/C[NH+](C)C)cc1[N+](=O)[O-] ZINC000272832986 370210555 /nfs/dbraw/zinc/21/05/55/370210555.db2.gz FMWRQFSYCUPXCG-SNAWJCMRSA-N 1 0 279.296 1.660 20 5 CDBDRO CC[NH2+]CC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000129918955 370274325 /nfs/dbraw/zinc/27/43/25/370274325.db2.gz NALCSULKLKYFMX-UHFFFAOYSA-N 1 0 281.312 1.650 20 5 CDBDRO Cn1ncc(CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC000292966724 370464581 /nfs/dbraw/zinc/46/45/81/370464581.db2.gz LXGZKZALDSFAPC-UHFFFAOYSA-N 1 0 275.312 1.446 20 5 CDBDRO C[C@H]1CCNC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000422746231 245207558 /nfs/dbraw/zinc/20/75/58/245207558.db2.gz WFKRERGXEHZSMM-SMDDNHRTSA-N 1 0 263.341 1.725 20 5 CDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])n1 ZINC000422855387 245336569 /nfs/dbraw/zinc/33/65/69/245336569.db2.gz VIYLKNRRVOOBJL-VHSXEESVSA-N 1 0 295.343 1.011 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000277599332 193703824 /nfs/dbraw/zinc/70/38/24/193703824.db2.gz PTGOWWRITPRKPG-BKVNPXPRSA-N 1 0 289.335 1.722 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CCC[N@H+](C)C1 ZINC000153833288 374067407 /nfs/dbraw/zinc/06/74/07/374067407.db2.gz FRVSCZNOYOFLOS-SECBINFHSA-N 1 0 267.285 1.354 20 5 CDBDRO CCOc1cc(NC[C@H]2CN(C)CCO2)ccc1[N+](=O)[O-] ZINC000091673744 374099100 /nfs/dbraw/zinc/09/91/00/374099100.db2.gz OVIFVAIYJJRVFT-LBPRGKRZSA-N 1 0 295.339 1.736 20 5 CDBDRO O=C(C[C@H]1CC[NH2+]C1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423731881 246010144 /nfs/dbraw/zinc/01/01/44/246010144.db2.gz YTEYXPFEGJVAND-MRVPVSSYSA-N 1 0 289.295 1.409 20 5 CDBDRO Cc1nc(N2CCC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000301666776 374187533 /nfs/dbraw/zinc/18/75/33/374187533.db2.gz XBNCRBCECGDBQD-UHFFFAOYSA-N 1 0 250.302 1.440 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000113451039 374257054 /nfs/dbraw/zinc/25/70/54/374257054.db2.gz OKJURVHQFFECMI-LBPRGKRZSA-N 1 0 291.351 1.927 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC[NH+](C)CC1 ZINC000298851334 374235077 /nfs/dbraw/zinc/23/50/77/374235077.db2.gz KYEMFUOYSCEAFH-UHFFFAOYSA-N 1 0 266.301 1.089 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](CN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)C1 ZINC000420292994 374294520 /nfs/dbraw/zinc/29/45/20/374294520.db2.gz XDKLRSPDAOCNDO-UWVGGRQHSA-N 1 0 289.339 1.822 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000423947110 374397805 /nfs/dbraw/zinc/39/78/05/374397805.db2.gz IYBKORXGFWGRLM-LDYMZIIASA-N 1 0 295.364 1.736 20 5 CDBDRO C[NH+](C)CCC1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000299085411 374381479 /nfs/dbraw/zinc/38/14/79/374381479.db2.gz SGEGMFIOKRYFSQ-UHFFFAOYSA-N 1 0 294.355 1.727 20 5 CDBDRO C[C@@H](C[NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423845411 246140899 /nfs/dbraw/zinc/14/08/99/246140899.db2.gz MSMNOKLIYFUDNR-ZETCQYMHSA-N 1 0 271.704 1.459 20 5 CDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261756834 296217405 /nfs/dbraw/zinc/21/74/05/296217405.db2.gz UMJXYXDCSDBNEH-VHSXEESVSA-N 1 0 293.298 1.415 20 5 CDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000375802692 374514398 /nfs/dbraw/zinc/51/43/98/374514398.db2.gz VSUJVWWNNRKLGZ-QWHCGFSZSA-N 1 0 293.371 1.350 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000423947457 246243973 /nfs/dbraw/zinc/24/39/73/246243973.db2.gz DRWBVMDMPDVPMD-JTQLQIEISA-N 1 0 280.328 1.280 20 5 CDBDRO CCC[C@H](NC[C@H](O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000154318860 374696360 /nfs/dbraw/zinc/69/63/60/374696360.db2.gz QNUSOKKMVAHSME-GJZGRUSLSA-N 1 0 295.383 1.948 20 5 CDBDRO Cc1c([C@H](C)NC[C@H](O)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000154310261 374695120 /nfs/dbraw/zinc/69/51/20/374695120.db2.gz YZIPYLNCVBQTDV-RYUDHWBXSA-N 1 0 281.356 1.476 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@@H]21 ZINC000449516722 374816649 /nfs/dbraw/zinc/81/66/49/374816649.db2.gz HJUFPGQLJKUWIT-MNOVXSKESA-N 1 0 267.354 1.792 20 5 CDBDRO COc1cc(N[C@@H](C)[C@@H]2CN(C)CCO2)ccc1[N+](=O)[O-] ZINC000154847396 374765210 /nfs/dbraw/zinc/76/52/10/374765210.db2.gz CVLWVBIQAYOMDN-HZMBPMFUSA-N 1 0 295.339 1.734 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000277045637 374769137 /nfs/dbraw/zinc/76/91/37/374769137.db2.gz KWROOPLKQGITJH-HTQZYQBOSA-N 1 0 285.731 1.848 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000331410244 374950587 /nfs/dbraw/zinc/95/05/87/374950587.db2.gz PFZPPMIVUQKHLO-VIFPVBQESA-N 1 0 293.327 1.065 20 5 CDBDRO CC[N@H+](CCOCCO)Cc1cccc([N+](=O)[O-])c1C ZINC000282219159 375073492 /nfs/dbraw/zinc/07/34/92/375073492.db2.gz YOIHVJKEMFOCCQ-UHFFFAOYSA-N 1 0 282.340 1.734 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)C[NH+](C)C ZINC000351199032 375278030 /nfs/dbraw/zinc/27/80/30/375278030.db2.gz HCTGPNDKCUWTPV-SNVBAGLBSA-N 1 0 280.328 1.975 20 5 CDBDRO CCCN(CC[NH+](CC)CC)c1ncc([N+](=O)[O-])c(N)n1 ZINC000162432837 375351892 /nfs/dbraw/zinc/35/18/92/375351892.db2.gz MCZWHUZCZFNQPG-UHFFFAOYSA-N 1 0 296.375 1.525 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000131860139 375368170 /nfs/dbraw/zinc/36/81/70/375368170.db2.gz KWOWOGOYRWZOFL-GHMZBOCLSA-N 1 0 277.324 1.713 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCCOCCO ZINC000227333300 375504099 /nfs/dbraw/zinc/50/40/99/375504099.db2.gz SACMKAKPTGNDAO-UHFFFAOYSA-N 1 0 288.731 1.737 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000237811568 375591936 /nfs/dbraw/zinc/59/19/36/375591936.db2.gz DMVKKPNENLICMP-MRVPVSSYSA-N 1 0 283.715 1.730 20 5 CDBDRO COc1ccc(C[NH2+]CCN2CCC2)cc1[N+](=O)[O-] ZINC000344841752 375564379 /nfs/dbraw/zinc/56/43/79/375564379.db2.gz BLKBZGNJFSFUID-UHFFFAOYSA-N 1 0 265.313 1.399 20 5 CDBDRO C[C@H]1CCC[C@H](CO)[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000305193708 375567403 /nfs/dbraw/zinc/56/74/03/375567403.db2.gz DHNMZJKKMRTHJD-WDEREUQCSA-N 1 0 268.317 1.027 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000426811227 247065899 /nfs/dbraw/zinc/06/58/99/247065899.db2.gz SGDFQQFWICFFMZ-GHMZBOCLSA-N 1 0 264.329 1.950 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000426811228 247067115 /nfs/dbraw/zinc/06/71/15/247067115.db2.gz SGDFQQFWICFFMZ-PHIMTYICSA-N 1 0 264.329 1.950 20 5 CDBDRO C[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000228053553 375679433 /nfs/dbraw/zinc/67/94/33/375679433.db2.gz CJQWVKXCZAWWOX-WDMOLILDSA-N 1 0 280.324 1.785 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH3+])c1 ZINC000160094970 375689271 /nfs/dbraw/zinc/68/92/71/375689271.db2.gz PGCIMKPIFWABOS-UHFFFAOYSA-N 1 0 269.326 1.395 20 5 CDBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000357419426 375906747 /nfs/dbraw/zinc/90/67/47/375906747.db2.gz KYPDEOVHDPUWQA-SNVBAGLBSA-N 1 0 282.344 1.773 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428965129 247390000 /nfs/dbraw/zinc/39/00/00/247390000.db2.gz QFNBCYCSXSYWIN-MWLCHTKSSA-N 1 0 292.339 1.416 20 5 CDBDRO C[C@H](CO)[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000249007446 376116185 /nfs/dbraw/zinc/11/61/85/376116185.db2.gz ZQVQLFNEJNWSDS-MNOVXSKESA-N 1 0 268.313 1.158 20 5 CDBDRO C[C@H]([NH3+])C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000262264333 190051449 /nfs/dbraw/zinc/05/14/49/190051449.db2.gz UVKDFNONQVQLAW-VIFPVBQESA-N 1 0 292.339 1.376 20 5 CDBDRO CCC(CC)(C[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000262596732 190058189 /nfs/dbraw/zinc/05/81/89/190058189.db2.gz KDOWNTXWHLNAHO-UHFFFAOYSA-N 1 0 280.328 1.424 20 5 CDBDRO NC(=[NH2+])NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000263984640 190087191 /nfs/dbraw/zinc/08/71/91/190087191.db2.gz SODQMTBFKXZAAV-UHFFFAOYSA-N 1 0 291.233 1.509 20 5 CDBDRO CN1CCC[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000344599323 376639773 /nfs/dbraw/zinc/63/97/73/376639773.db2.gz DSMNZNUNTGQCSR-WXJAXGNASA-N 1 0 289.335 1.818 20 5 CDBDRO CCC[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000296671266 376702607 /nfs/dbraw/zinc/70/26/07/376702607.db2.gz ZMKJMLLTONFYGK-OAHLLOKOSA-N 1 0 293.367 1.878 20 5 CDBDRO Cc1nc(NC2CC[NH+](C3CC3)CC2)ncc1[N+](=O)[O-] ZINC000296672699 376705745 /nfs/dbraw/zinc/70/57/45/376705745.db2.gz ZOVAGAXBYACDDU-UHFFFAOYSA-N 1 0 277.328 1.732 20 5 CDBDRO O=C1CCC[C@@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])N1 ZINC000433189849 248004967 /nfs/dbraw/zinc/00/49/67/248004967.db2.gz DZEMHLSFRZVQAM-AGLBCWCQSA-N 1 0 289.335 1.866 20 5 CDBDRO COCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000264602750 190122060 /nfs/dbraw/zinc/12/20/60/190122060.db2.gz NUUFOSNNZTWMSB-JTQLQIEISA-N 1 0 283.303 1.867 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)ccc1[N+](=O)[O-] ZINC000189306107 377229230 /nfs/dbraw/zinc/22/92/30/377229230.db2.gz CYRXZHWYTMSBDV-ZYHUDNBSSA-N 1 0 277.324 1.774 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CC[N@@H+]1C ZINC000357405701 377342895 /nfs/dbraw/zinc/34/28/95/377342895.db2.gz BQBTYOGGTUSEQK-NXEZZACHSA-N 1 0 280.328 1.146 20 5 CDBDRO COC[C@](C)([NH3+])CNc1nccc(C)c1[N+](=O)[O-] ZINC000265163370 190162480 /nfs/dbraw/zinc/16/24/80/190162480.db2.gz FNIMILOKPCFAIH-LLVKDONJSA-N 1 0 254.290 1.074 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@]1(CCO)CCOC1 ZINC000278534968 194031421 /nfs/dbraw/zinc/03/14/21/194031421.db2.gz VXNOVAYVAQCIJY-SJDLMVEWSA-N 1 0 292.335 1.739 20 5 CDBDRO COc1cc(C[NH2+]CCC[C@H](C)O)c([N+](=O)[O-])cc1O ZINC000278574058 194050500 /nfs/dbraw/zinc/05/05/00/194050500.db2.gz FAMREFJHEWBXFO-VIFPVBQESA-N 1 0 284.312 1.560 20 5 CDBDRO CO[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000443206062 250015709 /nfs/dbraw/zinc/01/57/09/250015709.db2.gz VSOMYUSYDADJPY-QWRGUYRKSA-N 1 0 295.339 1.936 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173747737 379048622 /nfs/dbraw/zinc/04/86/22/379048622.db2.gz XGYLHCMYUGPJIC-CYBMUJFWSA-N 1 0 291.351 1.547 20 5 CDBDRO CCC1(CC)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000446717743 250308237 /nfs/dbraw/zinc/30/82/37/250308237.db2.gz UXUGRQURZOCIBO-ZDUSSCGKSA-N 1 0 296.371 1.664 20 5 CDBDRO CC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)COC1 ZINC000447536828 250382916 /nfs/dbraw/zinc/38/29/16/250382916.db2.gz QHVRAGQJHXCPPL-RYUDHWBXSA-N 1 0 294.355 1.901 20 5 CDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000174504628 379513750 /nfs/dbraw/zinc/51/37/50/379513750.db2.gz CXPIMVMFYOSQKC-JTQLQIEISA-N 1 0 281.312 1.602 20 5 CDBDRO CC(C)[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267102644 190303648 /nfs/dbraw/zinc/30/36/48/190303648.db2.gz UPUUUQVWVAFJPJ-NSHDSACASA-N 1 0 252.318 1.912 20 5 CDBDRO C[NH+](C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCSC1 ZINC000267304391 190319899 /nfs/dbraw/zinc/31/98/99/190319899.db2.gz MFBPXZJQQDYVLJ-GFCCVEGCSA-N 1 0 298.368 1.090 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000268958576 190455967 /nfs/dbraw/zinc/45/59/67/190455967.db2.gz ZFMNDCONIBGOSS-JTQLQIEISA-N 1 0 265.313 1.252 20 5 CDBDRO CCC[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000450538083 251329072 /nfs/dbraw/zinc/32/90/72/251329072.db2.gz YFMIMPKWNZSKRG-NSHDSACASA-N 1 0 279.344 1.401 20 5 CDBDRO C[C@H]1C[N@H+](C)CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491577326 253091851 /nfs/dbraw/zinc/09/18/51/253091851.db2.gz VMGQIDZVJHAZNT-KRZKBDHCSA-N 1 0 289.335 1.771 20 5 CDBDRO C[C@@H](CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000492920048 253326018 /nfs/dbraw/zinc/32/60/18/253326018.db2.gz HSPNSEOGKPEWPW-KRZKBDHCSA-N 1 0 291.351 1.922 20 5 CDBDRO C[C@H](NC(=O)NCCCC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000417985694 227369644 /nfs/dbraw/zinc/36/96/44/227369644.db2.gz PYXXHQJUNOGVKV-JTQLQIEISA-N 1 0 280.328 1.694 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C)C[NH2+]C ZINC000336791836 390198849 /nfs/dbraw/zinc/19/88/49/390198849.db2.gz PGGGRVIIOFABEU-MRVPVSSYSA-N 1 0 255.322 1.387 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])s2)C1 ZINC000450951950 390583598 /nfs/dbraw/zinc/58/35/98/390583598.db2.gz GWMRQCZIPFBSEG-VIFPVBQESA-N 1 0 270.358 1.970 20 5 CDBDRO CCO[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000451537909 390630561 /nfs/dbraw/zinc/63/05/61/390630561.db2.gz IWTJGPCRFKZKJY-VXGBXAGGSA-N 1 0 282.344 1.538 20 5 CDBDRO COC1([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)CCC1 ZINC000412021448 390662288 /nfs/dbraw/zinc/66/22/88/390662288.db2.gz MRGDQKRVMGPLCD-SNVBAGLBSA-N 1 0 268.317 1.339 20 5 CDBDRO COCC[NH2+]CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000158103642 390657464 /nfs/dbraw/zinc/65/74/64/390657464.db2.gz ZALJGRFAVXEFNB-UHFFFAOYSA-N 1 0 273.720 1.896 20 5 CDBDRO Cc1cnc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000362680426 390859025 /nfs/dbraw/zinc/85/90/25/390859025.db2.gz IOEGCBSEZMRGGR-QWRGUYRKSA-N 1 0 262.313 1.296 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000286850029 390809359 /nfs/dbraw/zinc/80/93/59/390809359.db2.gz AXUPUGXNQZQUFL-JTQLQIEISA-N 1 0 265.313 1.204 20 5 CDBDRO C[NH2+]C[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430918378 390942432 /nfs/dbraw/zinc/94/24/32/390942432.db2.gz HIYCJSZPXNMTEJ-SNVBAGLBSA-N 1 0 290.323 1.777 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000519709242 391204304 /nfs/dbraw/zinc/20/43/04/391204304.db2.gz RIBFBTJWWPMBHJ-RNFRBKRXSA-N 1 0 284.291 1.172 20 5 CDBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccccc1[N+](=O)[O-] ZINC000264650684 391294985 /nfs/dbraw/zinc/29/49/85/391294985.db2.gz XCIXINSLFVULNW-ZDUSSCGKSA-N 1 0 292.339 1.347 20 5 CDBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000452032711 391340875 /nfs/dbraw/zinc/34/08/75/391340875.db2.gz DULXSTIFPNIYIE-CHWSQXEVSA-N 1 0 282.344 1.729 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000307891821 391386228 /nfs/dbraw/zinc/38/62/28/391386228.db2.gz GERCUBDDRWMWOJ-NSHDSACASA-N 1 0 263.297 1.465 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]([NH3+])C(C)C ZINC000415509132 391468481 /nfs/dbraw/zinc/46/84/81/391468481.db2.gz VWKDISTVPHDSQY-SNVBAGLBSA-N 1 0 296.327 1.708 20 5 CDBDRO CC(C)([NH3+])CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415635483 391470372 /nfs/dbraw/zinc/47/03/72/391470372.db2.gz URAPQSMUJFBKQB-UHFFFAOYSA-N 1 0 270.264 1.593 20 5 CDBDRO Cc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000186746321 391678831 /nfs/dbraw/zinc/67/88/31/391678831.db2.gz APDFPARIFQCIBM-JOYOIKCWSA-N 1 0 277.324 1.631 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000341921788 130131492 /nfs/dbraw/zinc/13/14/92/130131492.db2.gz UZUJNGGFZIHESV-UHIISALHSA-N 1 0 291.351 1.970 20 5 CDBDRO C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000189728861 391793435 /nfs/dbraw/zinc/79/34/35/391793435.db2.gz KSZBBIGRRKDHLI-ZWNOBZJWSA-N 1 0 250.298 1.798 20 5 CDBDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000574210238 391876921 /nfs/dbraw/zinc/87/69/21/391876921.db2.gz PLQCQIQCBTVTFL-VHSXEESVSA-N 1 0 270.333 1.215 20 5 CDBDRO C[NH+](C)C1(CNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000416303755 391985148 /nfs/dbraw/zinc/98/51/48/391985148.db2.gz SIXXGDYKXJQYQQ-UHFFFAOYSA-N 1 0 293.323 1.184 20 5 CDBDRO CCC[NH2+][C@@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000449152287 391981204 /nfs/dbraw/zinc/98/12/04/391981204.db2.gz DLTIQZLEPCQYGH-NSHDSACASA-N 1 0 291.351 1.868 20 5 CDBDRO COc1nccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)n1 ZINC000449210913 392125137 /nfs/dbraw/zinc/12/51/37/392125137.db2.gz SJFQICQJHWGBIJ-UHFFFAOYSA-N 1 0 288.307 1.726 20 5 CDBDRO CC(C)[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000488053063 392212464 /nfs/dbraw/zinc/21/24/64/392212464.db2.gz OEHCYGKERJEMKV-CYBMUJFWSA-N 1 0 281.360 1.063 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](CC2CC2)CC1 ZINC000192513211 392223285 /nfs/dbraw/zinc/22/32/85/392223285.db2.gz CAHXPSLKNLIHCX-UHFFFAOYSA-N 1 0 293.371 1.652 20 5 CDBDRO CSc1ccc(C(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000192807614 392389206 /nfs/dbraw/zinc/38/92/06/392389206.db2.gz MJSXSRACRNEKNF-UHFFFAOYSA-N 1 0 283.353 1.608 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000459760546 392503018 /nfs/dbraw/zinc/50/30/18/392503018.db2.gz SRWRRASSXYCLKZ-WCQYABFASA-N 1 0 266.297 1.407 20 5 CDBDRO Cc1nc(N2CC[N@@H+](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000348372666 392874316 /nfs/dbraw/zinc/87/43/16/392874316.db2.gz ZESZNJPRJBISDJ-JTQLQIEISA-N 1 0 264.329 1.829 20 5 CDBDRO NC(=O)CC1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000421346684 392930784 /nfs/dbraw/zinc/93/07/84/392930784.db2.gz ADLKUTVEMUBLQQ-HYXAFXHYSA-N 1 0 289.335 1.853 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NC[C@H]2CCC[NH2+]2)n1 ZINC000423235888 392961223 /nfs/dbraw/zinc/96/12/23/392961223.db2.gz NMKCDOGHAXGPAN-FRRDWIJNSA-N 1 0 293.371 1.617 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000423676302 392966057 /nfs/dbraw/zinc/96/60/57/392966057.db2.gz IRKMGOJXVOVUNF-BDAKNGLRSA-N 1 0 281.312 1.459 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2CCO)cc1 ZINC000301905520 393012517 /nfs/dbraw/zinc/01/25/17/393012517.db2.gz RJLNJMFONXYBCZ-LBPRGKRZSA-N 1 0 250.298 1.942 20 5 CDBDRO [NH3+]C[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430623911 393103090 /nfs/dbraw/zinc/10/30/90/393103090.db2.gz HIRXCGKDIYNHLC-GFCCVEGCSA-N 1 0 279.340 1.644 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)C2CCC2)c1 ZINC000316649735 393059809 /nfs/dbraw/zinc/05/98/09/393059809.db2.gz VRGFVHQXXADASN-CYBMUJFWSA-N 1 0 250.298 1.845 20 5 CDBDRO COc1cc(C(=O)NCCC[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000448562048 393119652 /nfs/dbraw/zinc/11/96/52/393119652.db2.gz JMSASLOTFOKJIE-UHFFFAOYSA-N 1 0 299.302 1.424 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449654710 393137610 /nfs/dbraw/zinc/13/76/10/393137610.db2.gz FKKFRTGECPIAFO-LLVKDONJSA-N 1 0 299.277 1.251 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000493903829 393224394 /nfs/dbraw/zinc/22/43/94/393224394.db2.gz BCIHCVOHFOYUDE-VHSXEESVSA-N 1 0 277.324 1.463 20 5 CDBDRO C[NH+](C)C/C=C\C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000491847160 393208802 /nfs/dbraw/zinc/20/88/02/393208802.db2.gz QSENZQKQJAIDJA-ARJAWSKDSA-N 1 0 292.339 1.241 20 5 CDBDRO CS(=O)(=O)c1ccc(NC[C@H]([NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000133172112 139862824 /nfs/dbraw/zinc/86/28/24/139862824.db2.gz QOFFZJXCRPWTKK-JTQLQIEISA-N 1 0 299.352 1.148 20 5 CDBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000186396660 140061113 /nfs/dbraw/zinc/06/11/13/140061113.db2.gz KJGAKRDIWSECLE-KBPBESRZSA-N 1 0 296.371 1.975 20 5 CDBDRO COc1cc(N[C@H]2CCC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000227860209 140188468 /nfs/dbraw/zinc/18/84/68/140188468.db2.gz LBPKLXDSBMBWEK-QMMMGPOBSA-N 1 0 269.276 1.906 20 5 CDBDRO CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CCC[NH2+]CC1 ZINC000231486995 140216042 /nfs/dbraw/zinc/21/60/42/140216042.db2.gz IFLOELLYMOTPLK-SECBINFHSA-N 1 0 266.301 1.137 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000235668381 140236440 /nfs/dbraw/zinc/23/64/40/140236440.db2.gz WIQMGCSJIKCXFJ-JOYOIKCWSA-N 1 0 263.297 1.322 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000235652203 140236803 /nfs/dbraw/zinc/23/68/03/140236803.db2.gz GIUTXVGZFMQIBM-JOYOIKCWSA-N 1 0 263.297 1.322 20 5 CDBDRO COC[C@@]1(CNc2ccc([N+](=O)[O-])c(OC)c2)CCC[NH2+]1 ZINC000261648096 140369174 /nfs/dbraw/zinc/36/91/74/140369174.db2.gz JHZWZMJPKLGTEF-AWEZNQCLSA-N 1 0 295.339 1.784 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C[C@H]12 ZINC000261655206 140370433 /nfs/dbraw/zinc/37/04/33/140370433.db2.gz JZSUFSIUQCNVLW-OXHMUOHRSA-N 1 0 293.298 1.543 20 5 CDBDRO COc1cc(N2CC[C@](C)(C[NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000261793853 140390427 /nfs/dbraw/zinc/39/04/27/140390427.db2.gz QQFQFETXIQBFRO-CYBMUJFWSA-N 1 0 283.303 1.918 20 5 CDBDRO COc1cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000261820856 140394694 /nfs/dbraw/zinc/39/46/94/140394694.db2.gz TYIYQJAEOUINOX-WDEREUQCSA-N 1 0 277.324 1.649 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCN2CCC2)n1 ZINC000447585539 296518659 /nfs/dbraw/zinc/51/86/59/296518659.db2.gz JQHSKELOALDQFM-QWHCGFSZSA-N 1 0 293.371 1.570 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000423227168 397602840 /nfs/dbraw/zinc/60/28/40/397602840.db2.gz URUCMIYJZVCLRW-DGCLKSJQSA-N 1 0 291.351 1.642 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[NH2+]C1 ZINC000135220294 397909833 /nfs/dbraw/zinc/90/98/33/397909833.db2.gz KTHQSLXEIIUSOC-GFCCVEGCSA-N 1 0 277.324 1.253 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000036257847 397923663 /nfs/dbraw/zinc/92/36/63/397923663.db2.gz OGYKPVMHHJKXIA-SNVBAGLBSA-N 1 0 292.339 1.338 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000106790853 147243664 /nfs/dbraw/zinc/24/36/64/147243664.db2.gz XWMJEPRKLROHFV-JTQLQIEISA-N 1 0 293.323 1.935 20 5 CDBDRO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])nc2)CCC[N@@H+]1C ZINC000343509305 152206117 /nfs/dbraw/zinc/20/61/17/152206117.db2.gz HZCMSRRISOFDDD-ONGXEEELSA-N 1 0 250.302 1.884 20 5 CDBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[C@H]1O ZINC000352668939 155341584 /nfs/dbraw/zinc/34/15/84/155341584.db2.gz WADMJQSABOGDJE-WCQYABFASA-N 1 0 293.323 1.039 20 5 CDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000343585033 152233313 /nfs/dbraw/zinc/23/33/13/152233313.db2.gz CULNFEDJYUOFNV-JTQLQIEISA-N 1 0 280.328 1.527 20 5 CDBDRO CC1CC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000343725389 152280765 /nfs/dbraw/zinc/28/07/65/152280765.db2.gz JZPFICKKXDTKPH-UHFFFAOYSA-N 1 0 298.364 1.757 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000346322001 153138988 /nfs/dbraw/zinc/13/89/88/153138988.db2.gz AKDLLCZZBDITPH-SECBINFHSA-N 1 0 268.317 1.003 20 5 CDBDRO COc1cccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000423594877 286445365 /nfs/dbraw/zinc/44/53/65/286445365.db2.gz PDQQYSZNPJJLNW-UWVGGRQHSA-N 1 0 293.323 1.603 20 5 CDBDRO CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000352213261 155027043 /nfs/dbraw/zinc/02/70/43/155027043.db2.gz UCTLAUVVMFZUNQ-NWDGAFQWSA-N 1 0 298.339 1.037 20 5 CDBDRO CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000352228880 155041674 /nfs/dbraw/zinc/04/16/74/155041674.db2.gz BDKWJMNUGOXZIU-NSHDSACASA-N 1 0 295.339 1.260 20 5 CDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000359202486 158160700 /nfs/dbraw/zinc/16/07/00/158160700.db2.gz BRFLHIGRINCBSW-GFCCVEGCSA-N 1 0 295.314 1.948 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359280759 158196842 /nfs/dbraw/zinc/19/68/42/158196842.db2.gz IEMBOVALWKNXGX-RYUDHWBXSA-N 1 0 277.324 1.125 20 5 CDBDRO Cc1ccn(C[C@H]2CC[N@@H+](C)C2)c(=O)c1[N+](=O)[O-] ZINC000361966847 159027014 /nfs/dbraw/zinc/02/70/14/159027014.db2.gz PGVJVPYOOYMQGV-JTQLQIEISA-N 1 0 251.286 1.017 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CCC[NH2+]CC2)c1[N+](=O)[O-] ZINC000368532974 159668687 /nfs/dbraw/zinc/66/86/87/159668687.db2.gz SQZPCVUARQUEHF-SECBINFHSA-N 1 0 295.343 1.142 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000373280292 160188713 /nfs/dbraw/zinc/18/87/13/160188713.db2.gz WRPKNFGIOWGAEH-OAHLLOKOSA-N 1 0 292.335 1.950 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000349983486 163801587 /nfs/dbraw/zinc/80/15/87/163801587.db2.gz BHIVSEPHAWSQEY-NXEZZACHSA-N 1 0 297.380 1.929 20 5 CDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)CC[NH3+] ZINC000349983488 287123845 /nfs/dbraw/zinc/12/38/45/287123845.db2.gz BHIVSEPHAWSQEY-VHSXEESVSA-N 1 0 297.380 1.929 20 5 CDBDRO CC[C@@H](CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000035603894 172291867 /nfs/dbraw/zinc/29/18/67/172291867.db2.gz XUPUAZVRADUJFS-JTQLQIEISA-N 1 0 254.286 1.464 20 5 CDBDRO CC[C@H](O)CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285274973 196238036 /nfs/dbraw/zinc/23/80/36/196238036.db2.gz QZVMAGPDIPXAAK-KOLCDFICSA-N 1 0 267.329 1.989 20 5 CDBDRO CC[NH+](CC)CCCCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285476051 196297582 /nfs/dbraw/zinc/29/75/82/196297582.db2.gz HVGMCGXUXGAURF-UHFFFAOYSA-N 1 0 283.332 1.170 20 5 CDBDRO CO[C@@H](C)C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000285569988 196330835 /nfs/dbraw/zinc/33/08/35/196330835.db2.gz HOZUTKBKDVREFX-NWDGAFQWSA-N 1 0 298.339 1.301 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000285648163 196354391 /nfs/dbraw/zinc/35/43/91/196354391.db2.gz GOLVTSMRWNKYSX-SECBINFHSA-N 1 0 280.328 1.424 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000038049158 174059930 /nfs/dbraw/zinc/05/99/30/174059930.db2.gz MNSSKYAEKLVNFB-SJXIGLKTSA-N 1 0 289.335 1.994 20 5 CDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000040676233 174373974 /nfs/dbraw/zinc/37/39/74/174373974.db2.gz ZDBYCKMFIGKTPA-UHFFFAOYSA-N 1 0 277.324 1.253 20 5 CDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC1CC[NH2+]CC1 ZINC000044503490 175186718 /nfs/dbraw/zinc/18/67/18/175186718.db2.gz CPMMAZNTICGLEY-ZZXKWVIFSA-N 1 0 289.335 1.724 20 5 CDBDRO [NH3+]C[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000044528026 175192520 /nfs/dbraw/zinc/19/25/20/175192520.db2.gz SHAVINQOYJKDPS-SECBINFHSA-N 1 0 255.343 1.827 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000044537833 175200213 /nfs/dbraw/zinc/20/02/13/175200213.db2.gz JSRHCLZKSLTRKU-SECBINFHSA-N 1 0 251.290 1.139 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1F ZINC000044725683 175238130 /nfs/dbraw/zinc/23/81/30/175238130.db2.gz MNNKLDKRKICDGC-VIFPVBQESA-N 1 0 293.298 1.700 20 5 CDBDRO C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000050162892 175510446 /nfs/dbraw/zinc/51/04/46/175510446.db2.gz ZWNCIDUBPDRXFT-QWRGUYRKSA-N 1 0 277.324 1.713 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000071142763 176040682 /nfs/dbraw/zinc/04/06/82/176040682.db2.gz HMRPJSVSRWGCCW-SECBINFHSA-N 1 0 281.287 1.415 20 5 CDBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CC[NH2+]C1 ZINC000071330194 176124153 /nfs/dbraw/zinc/12/41/53/176124153.db2.gz LNVGQCNVDPZXRP-SECBINFHSA-N 1 0 267.285 1.402 20 5 CDBDRO COCC(C)(C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000076494046 177028613 /nfs/dbraw/zinc/02/86/13/177028613.db2.gz AVJDKZDOMCBTAZ-UHFFFAOYSA-N 1 0 268.313 1.988 20 5 CDBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC(C)(C)O ZINC000078778679 177386879 /nfs/dbraw/zinc/38/68/79/177386879.db2.gz OQWFTHVCPIAZGU-UHFFFAOYSA-N 1 0 256.277 1.937 20 5 CDBDRO Cc1c(CNC(=O)N[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000418086381 228020775 /nfs/dbraw/zinc/02/07/75/228020775.db2.gz ZUVSBGHLWKQBFB-GFCCVEGCSA-N 1 0 292.339 1.454 20 5 CDBDRO O=C([C@H]1CC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000238007522 262644621 /nfs/dbraw/zinc/64/46/21/262644621.db2.gz AFMSAHJKSPVLKR-NSHDSACASA-N 1 0 275.308 1.089 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(c2ncc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000514580994 266003689 /nfs/dbraw/zinc/00/36/89/266003689.db2.gz GUNCDEFJLKWOJY-VHSXEESVSA-N 1 0 279.344 1.612 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000320979970 270329855 /nfs/dbraw/zinc/32/98/55/270329855.db2.gz XMBMGRCOIXWWBB-FQLSZKSXSA-N 1 0 277.324 1.850 20 5 CDBDRO CN1CC[NH2+]C[C@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000394777761 270339086 /nfs/dbraw/zinc/33/90/86/270339086.db2.gz INUSUGBVSJFJFK-JTQLQIEISA-N 1 0 284.747 1.564 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000397178383 270346826 /nfs/dbraw/zinc/34/68/26/270346826.db2.gz HPRBFTRAGIMDNM-UHFFFAOYSA-N 1 0 266.301 1.844 20 5 CDBDRO C[C@H](NC(=O)C1(C)C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000399230950 270371448 /nfs/dbraw/zinc/37/14/48/270371448.db2.gz JYDNUTCUXIHFCO-VIFPVBQESA-N 1 0 263.297 1.382 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000261559448 273501678 /nfs/dbraw/zinc/50/16/78/273501678.db2.gz QAIMAQPEOJMMSN-NSHDSACASA-N 1 0 265.313 1.698 20 5 CDBDRO CC(C)([NH3+])CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000420200115 273505709 /nfs/dbraw/zinc/50/57/09/273505709.db2.gz MIPPGPVFCRGYAT-UHFFFAOYSA-N 1 0 260.297 1.714 20 5 CDBDRO CCC[NH+]1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000287066634 273614363 /nfs/dbraw/zinc/61/43/63/273614363.db2.gz SPYVQTHKXUYMPZ-UHFFFAOYSA-N 1 0 264.329 1.709 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000450782551 274118341 /nfs/dbraw/zinc/11/83/41/274118341.db2.gz YDYBHLJTKSZIOD-IINYFYTJSA-N 1 0 277.324 1.744 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cn1cncn1 ZINC000449102501 274231122 /nfs/dbraw/zinc/23/11/22/274231122.db2.gz YTPDDXUMLNOSHF-RYUDHWBXSA-N 1 0 289.339 1.796 20 5 CDBDRO Cc1cc(N2CC[C@H]([NH3+])[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000094342376 274710993 /nfs/dbraw/zinc/71/09/93/274710993.db2.gz FLWLNDAGWRIOGH-ZJUUUORDSA-N 1 0 250.302 1.472 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000131669451 274948625 /nfs/dbraw/zinc/94/86/25/274948625.db2.gz CKEHKUCBTIIPQI-NSHDSACASA-N 1 0 264.285 1.550 20 5 CDBDRO O=[N+]([O-])c1c(N2CC[C@H]3C[NH2+]C[C@@H]3C2)nc2sccn21 ZINC000261662365 275032642 /nfs/dbraw/zinc/03/26/42/275032642.db2.gz FCGOEXVCXZARTC-DTWKUNHWSA-N 1 0 293.352 1.350 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CCC([NH2+]CCO)CC1 ZINC000279564446 275035588 /nfs/dbraw/zinc/03/55/88/275035588.db2.gz XZKBLXFGIZGXND-UHFFFAOYSA-N 1 0 299.758 1.799 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H]1[C@H]3C[NH2+]C[C@H]31)CCC2 ZINC000423469003 275038144 /nfs/dbraw/zinc/03/81/44/275038144.db2.gz ZTKMLPODCZKSNN-LJISPDSOSA-N 1 0 273.336 1.780 20 5 CDBDRO CC(C)[C@H](C[NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000087530948 276016553 /nfs/dbraw/zinc/01/65/53/276016553.db2.gz QUURWHOAJJRCJH-ZDUSSCGKSA-N 1 0 279.340 1.484 20 5 CDBDRO CC[NH+](CC)[C@@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000273608058 276115030 /nfs/dbraw/zinc/11/50/30/276115030.db2.gz KZVZWVZGEIMKKV-SNVBAGLBSA-N 1 0 265.317 1.305 20 5 CDBDRO C[N@@H+]1CCCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000046341332 277052550 /nfs/dbraw/zinc/05/25/50/277052550.db2.gz NSUBEUQRWAJZFS-UHFFFAOYSA-N 1 0 253.277 1.876 20 5 CDBDRO CS[C@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)C[C@@H]1[NH+](C)C ZINC000270343257 278167639 /nfs/dbraw/zinc/16/76/39/278167639.db2.gz FNBZEDLECAUWFZ-UWVGGRQHSA-N 1 0 299.400 1.119 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417760922 278227822 /nfs/dbraw/zinc/22/78/22/278227822.db2.gz GQJHMTLABSTLKP-NSHDSACASA-N 1 0 294.355 1.564 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCNC1=O ZINC000449108084 278298750 /nfs/dbraw/zinc/29/87/50/278298750.db2.gz PNKDBYYWLPIZAO-JQWIXIFHSA-N 1 0 277.324 1.394 20 5 CDBDRO CN(C)C(=O)C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000108422477 279306754 /nfs/dbraw/zinc/30/67/54/279306754.db2.gz CKWMEJKBKFAQIO-UHFFFAOYSA-N 1 0 265.313 1.551 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CCO ZINC000449155607 279382347 /nfs/dbraw/zinc/38/23/47/279382347.db2.gz BOKPXQADHWUWPB-WDEREUQCSA-N 1 0 252.314 1.886 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000262270174 279417532 /nfs/dbraw/zinc/41/75/32/279417532.db2.gz VQFKUIUYLOKORV-TVQRCGJNSA-N 1 0 292.339 1.519 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000262802056 279910157 /nfs/dbraw/zinc/91/01/57/279910157.db2.gz OANWPHXDMSNFIP-GZMMTYOYSA-N 1 0 281.287 1.462 20 5 CDBDRO CC[NH2+]CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000211565812 280086711 /nfs/dbraw/zinc/08/67/11/280086711.db2.gz WHCLCRDBAKEALW-SREVYHEPSA-N 1 0 263.297 1.334 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000217534008 280088801 /nfs/dbraw/zinc/08/88/01/280088801.db2.gz GFXYDLWSOFKRIY-FWWRYZNZSA-N 1 0 289.335 1.805 20 5 CDBDRO [NH3+]C1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCCC1 ZINC000237905459 280192888 /nfs/dbraw/zinc/19/28/88/280192888.db2.gz IIQWFLLDQRAZRY-UHFFFAOYSA-N 1 0 289.335 1.751 20 5 CDBDRO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)O ZINC000395296324 280689579 /nfs/dbraw/zinc/68/95/79/280689579.db2.gz HTIYGBFQKZCTOO-KOLCDFICSA-N 1 0 268.313 1.852 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@]3(CC[NH2+]C3)C2)n1 ZINC000261658657 281013941 /nfs/dbraw/zinc/01/39/41/281013941.db2.gz YZUNYRVARUWPKV-ZDUSSCGKSA-N 1 0 262.313 1.488 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000272399612 281020509 /nfs/dbraw/zinc/02/05/09/281020509.db2.gz DNJKODBLEZSYIB-MNOVXSKESA-N 1 0 292.339 1.707 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000272399623 281021929 /nfs/dbraw/zinc/02/19/29/281021929.db2.gz DNJKODBLEZSYIB-WDEREUQCSA-N 1 0 292.339 1.707 20 5 CDBDRO Nc1nc(SCCC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000521464168 281075115 /nfs/dbraw/zinc/07/51/15/281075115.db2.gz MRBCOTSWEMVQBS-UHFFFAOYSA-N 1 0 283.357 1.375 20 5 CDBDRO C[N@@H+]1CC[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000521927783 281079001 /nfs/dbraw/zinc/07/90/01/281079001.db2.gz YJBVCUDMMBRFJE-NSHDSACASA-N 1 0 292.339 1.075 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000301629384 281260270 /nfs/dbraw/zinc/26/02/70/281260270.db2.gz CAGUAGIWJUUNKK-STQMWFEESA-N 1 0 277.324 1.422 20 5 CDBDRO C[NH+](C)C1(CNc2cccc(C(N)=O)c2[N+](=O)[O-])CCC1 ZINC000342960313 282046713 /nfs/dbraw/zinc/04/67/13/282046713.db2.gz MUNYDGWDQFOXRH-UHFFFAOYSA-N 1 0 292.339 1.590 20 5 CDBDRO C[NH+](C)CCCCC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000562267363 293122537 /nfs/dbraw/zinc/12/25/37/293122537.db2.gz FMZAXEWJEWSXRS-UHFFFAOYSA-N 1 0 293.367 1.985 20 5 CDBDRO COc1cccc(C(=O)N2CCCC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC000568619061 294067750 /nfs/dbraw/zinc/06/77/50/294067750.db2.gz KEMXBFKYCGBTQG-SNVBAGLBSA-N 1 0 293.323 1.557 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000569017841 294143836 /nfs/dbraw/zinc/14/38/36/294143836.db2.gz RZBMAWAXNYAFGF-VXGBXAGGSA-N 1 0 279.340 1.785 20 5 CDBDRO CNc1ccc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000569224477 294177422 /nfs/dbraw/zinc/17/74/22/294177422.db2.gz GQMDDNXSVWBRKP-IUCAKERBSA-N 1 0 280.328 1.492 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000570216467 294196825 /nfs/dbraw/zinc/19/68/25/294196825.db2.gz PRVYPBRKQRSSHD-ZJUUUORDSA-N 1 0 281.312 1.216 20 5 CDBDRO CCOC[C@@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000566112136 316479793 /nfs/dbraw/zinc/47/97/93/316479793.db2.gz ROTFLFGWYUGIRL-ZDUSSCGKSA-N 1 0 268.313 1.124 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000577620788 317368593 /nfs/dbraw/zinc/36/85/93/317368593.db2.gz QZKONNVUTGJEAE-STQMWFEESA-N 1 0 265.313 1.443 20 5 CDBDRO [NH3+]CC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(F)F ZINC000383433310 323666878 /nfs/dbraw/zinc/66/68/78/323666878.db2.gz CVEPCSKRBFOBOT-JTQLQIEISA-N 1 0 287.266 1.236 20 5 CDBDRO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C1(C[NH3+])CCC1 ZINC000385509064 323708682 /nfs/dbraw/zinc/70/86/82/323708682.db2.gz RFPFASWOQJXMOF-UHFFFAOYSA-N 1 0 277.324 1.477 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000583807042 325243856 /nfs/dbraw/zinc/24/38/56/325243856.db2.gz MJSIKCNXIBMKHL-MRVPVSSYSA-N 1 0 295.295 1.051 20 5 CDBDRO COC[C@@H](C)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000584167686 327055008 /nfs/dbraw/zinc/05/50/08/327055008.db2.gz DGXXTELXRFRFDO-AAEUAGOBSA-N 1 0 298.339 1.207 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](Oc2cnccc2[N+](=O)[O-])C1 ZINC001228881528 1160498449 /nfs/dbraw/zinc/49/84/49/1160498449.db2.gz GJTHBGHGJYUOPY-SNVBAGLBSA-N 1 0 251.286 1.853 20 5 CDBDRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668572 522206841 /nfs/dbraw/zinc/20/68/41/522206841.db2.gz CQDJVYVKJPUIGX-MNOVXSKESA-N 1 0 279.340 1.988 20 5 CDBDRO CCOC[C@@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000069277494 520100652 /nfs/dbraw/zinc/10/06/52/520100652.db2.gz SZYYXRUIOMDKHM-LBPRGKRZSA-N 1 0 254.286 1.082 20 5 CDBDRO CCCN(CC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000157333192 521655129 /nfs/dbraw/zinc/65/51/29/521655129.db2.gz YELPVDPEBACSAY-UHFFFAOYSA-N 1 0 294.355 1.591 20 5 CDBDRO CCNC(=O)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000339329037 521746654 /nfs/dbraw/zinc/74/66/54/521746654.db2.gz VHCAXRQSAACFOD-CYBMUJFWSA-N 1 0 279.340 1.845 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000148822881 522072078 /nfs/dbraw/zinc/07/20/78/522072078.db2.gz UFADTJSBRPOYQA-VIFPVBQESA-N 1 0 265.313 1.489 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000151008618 522382515 /nfs/dbraw/zinc/38/25/15/522382515.db2.gz AEXDWWQDLCXOIE-SNVBAGLBSA-N 1 0 293.323 1.427 20 5 CDBDRO COc1cc(C(=O)OCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000791814407 1162245598 /nfs/dbraw/zinc/24/55/98/1162245598.db2.gz ICAZNHSSCONJTL-UHFFFAOYSA-N 1 0 282.296 1.712 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](C)CO ZINC000338596353 522974958 /nfs/dbraw/zinc/97/49/58/522974958.db2.gz HKCUWLRNSXIOSX-SECBINFHSA-N 1 0 254.286 1.416 20 5 CDBDRO COC(=O)CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000062727268 523058074 /nfs/dbraw/zinc/05/80/74/523058074.db2.gz ZJSPLUWVKGINCZ-UHFFFAOYSA-N 1 0 266.297 1.632 20 5 CDBDRO C[C@H]1C[C@H](O)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000340934712 524935266 /nfs/dbraw/zinc/93/52/66/524935266.db2.gz WVUYNIGECCNQGX-JQWIXIFHSA-N 1 0 266.297 1.429 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000237659587 524937113 /nfs/dbraw/zinc/93/71/13/524937113.db2.gz RQGPTQUAYCNRCN-SNVBAGLBSA-N 1 0 281.287 1.524 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](CC3CC3)C2)c1 ZINC000339678345 527415539 /nfs/dbraw/zinc/41/55/39/527415539.db2.gz LFTYPJXDXWVDKZ-TZMCWYRMSA-N 1 0 294.355 1.274 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000262386175 535512744 /nfs/dbraw/zinc/51/27/44/535512744.db2.gz OVEGSLDWQRACLI-SNVBAGLBSA-N 1 0 281.312 1.088 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000261694103 535970938 /nfs/dbraw/zinc/97/09/38/535970938.db2.gz HSSRKZMTYMTBLD-MWLCHTKSSA-N 1 0 281.360 1.920 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252774680 536143862 /nfs/dbraw/zinc/14/38/62/536143862.db2.gz JXFZSEWKGWQYQX-WCBMZHEXSA-N 1 0 267.333 1.293 20 5 CDBDRO C[NH2+][C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000261695084 536412593 /nfs/dbraw/zinc/41/25/93/536412593.db2.gz FOMWQEODLUSPJF-LBPRGKRZSA-N 1 0 279.340 1.657 20 5 CDBDRO COc1ccc(C[NH2+]C[C@@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000226578467 536893163 /nfs/dbraw/zinc/89/31/63/536893163.db2.gz IQHSCGKNFYDAMH-SECBINFHSA-N 1 0 276.239 1.319 20 5 CDBDRO C[NH+]1CCC(ONC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000773549731 575823661 /nfs/dbraw/zinc/82/36/61/575823661.db2.gz LPKDWNMMBKMXPD-UHFFFAOYSA-N 1 0 279.296 1.350 20 5 CDBDRO C[NH+](C)C[C@H]1CCCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000760511858 576490375 /nfs/dbraw/zinc/49/03/75/576490375.db2.gz KOWXDGQRCFQKKO-SNVBAGLBSA-N 1 0 265.317 1.163 20 5 CDBDRO CC[N@@H+]1CCN(c2nc(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000754080270 576878298 /nfs/dbraw/zinc/87/82/98/576878298.db2.gz SHDSDVJMTLGTOB-NSHDSACASA-N 1 0 264.329 1.829 20 5 CDBDRO Cc1nn(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c(C)c1[N+](=O)[O-] ZINC000749799282 576963446 /nfs/dbraw/zinc/96/34/46/576963446.db2.gz WDLMXTUVJYGMLU-OLZOCXBDSA-N 1 0 294.355 1.724 20 5 CDBDRO Cc1cc(F)cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000753092645 577145068 /nfs/dbraw/zinc/14/50/68/577145068.db2.gz FQAMTVKJPRTROA-SNVBAGLBSA-N 1 0 295.314 1.724 20 5 CDBDRO CCn1cnc2c1CCN(CCn1ccc([N+](=O)[O-])n1)C2 ZINC000933261381 617380058 /nfs/dbraw/zinc/38/00/58/617380058.db2.gz RAOFSUXZCLAHKX-UHFFFAOYSA-N 1 0 290.327 1.066 20 5 CDBDRO CCCSC[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000893133121 617402386 /nfs/dbraw/zinc/40/23/86/617402386.db2.gz ATFQUSUKJXPJPE-JTQLQIEISA-N 1 0 272.374 1.913 20 5 CDBDRO Cc1cc(F)ncc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000893133883 617402795 /nfs/dbraw/zinc/40/27/95/617402795.db2.gz GUYHUDWVZFMOHT-UHFFFAOYSA-N 1 0 279.275 1.424 20 5 CDBDRO CC(C)[NH+]1CCC(C(=O)Nc2c([N+](=O)[O-])ncn2C)CC1 ZINC000891344753 617441120 /nfs/dbraw/zinc/44/11/20/617441120.db2.gz BNXHIMVTRVIBSB-UHFFFAOYSA-N 1 0 295.343 1.387 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CCN(c2cc[nH+]cc2)CC1 ZINC000891591086 617494713 /nfs/dbraw/zinc/49/47/13/617494713.db2.gz BFDIODLVPOHSHY-UHFFFAOYSA-N 1 0 288.311 1.050 20 5 CDBDRO Cc1noc(CN2CC[C@H]([NH+](C)C)[C@@H]2C)c1[N+](=O)[O-] ZINC000931036418 617583847 /nfs/dbraw/zinc/58/38/47/617583847.db2.gz FTPDWGKHXGTEEU-UWVGGRQHSA-N 1 0 268.317 1.416 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000891781904 617586290 /nfs/dbraw/zinc/58/62/90/617586290.db2.gz LVWCEUOXZGBTLF-VIFPVBQESA-N 1 0 265.317 1.225 20 5 CDBDRO COc1c(O)ccc(C[NH2+]CC[C@H](C)OC)c1[N+](=O)[O-] ZINC000892807164 617770785 /nfs/dbraw/zinc/77/07/85/617770785.db2.gz QMWKUJYUBNDLEW-VIFPVBQESA-N 1 0 284.312 1.824 20 5 CDBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000934021247 617861205 /nfs/dbraw/zinc/86/12/05/617861205.db2.gz MFVHGCSPACSIFU-LLVKDONJSA-N 1 0 293.323 1.298 20 5 CDBDRO C[N@@H+]1C[C@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])[C@H]2C1 ZINC000893941931 618205706 /nfs/dbraw/zinc/20/57/06/618205706.db2.gz XPBGCGXBULUPAU-BDAKNGLRSA-N 1 0 293.352 1.444 20 5 CDBDRO CN1CC[C@@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000928559327 619379261 /nfs/dbraw/zinc/37/92/61/619379261.db2.gz XSNVNULUIMZKIU-MRVPVSSYSA-N 1 0 283.715 1.682 20 5 CDBDRO CCOc1cc(N2CC=C(N)[NH2+]2)ccc1[N+](=O)[O-] ZINC000895246507 619492285 /nfs/dbraw/zinc/49/22/85/619492285.db2.gz CSAVUDGSSFWKNU-UHFFFAOYSA-N 1 0 250.258 1.118 20 5 CDBDRO COc1c(O)ccc(C[N@H+](C)C2(CO)CCC2)c1[N+](=O)[O-] ZINC000895476142 619686841 /nfs/dbraw/zinc/68/68/41/619686841.db2.gz QRVWJFAPRCPTNX-UHFFFAOYSA-N 1 0 296.323 1.656 20 5 CDBDRO C[NH+](C)CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000929163152 621535805 /nfs/dbraw/zinc/53/58/05/621535805.db2.gz YLCGTXOWSKVRSR-QWHCGFSZSA-N 1 0 277.324 1.376 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000923890708 621663531 /nfs/dbraw/zinc/66/35/31/621663531.db2.gz SQOKSXIQBHGEKT-NSHDSACASA-N 1 0 296.327 1.207 20 5 CDBDRO O=[N+]([O-])CCNC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000899860603 622486805 /nfs/dbraw/zinc/48/68/05/622486805.db2.gz SGNKKNLMQILOGT-AWEZNQCLSA-N 1 0 263.341 1.690 20 5 CDBDRO NOCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000902419204 624784123 /nfs/dbraw/zinc/78/41/23/624784123.db2.gz QBKNOPFGTGTKQS-UHFFFAOYSA-N 1 0 294.355 1.434 20 5 CDBDRO C[C@H]([NH2+][C@H]1COC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903392848 625979696 /nfs/dbraw/zinc/97/96/96/625979696.db2.gz AQWKZBZZTKYEBE-PTRXPTGYSA-N 1 0 265.313 1.863 20 5 CDBDRO O=C1CCCN1c1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905022678 626389560 /nfs/dbraw/zinc/38/95/60/626389560.db2.gz CJXPGHGGBHDSPZ-UHFFFAOYSA-N 1 0 263.297 1.180 20 5 CDBDRO COc1cccc([C@H](C[NH2+]CC[N+](=O)[O-])N2CCCC2)c1 ZINC000905028409 626391077 /nfs/dbraw/zinc/39/10/77/626391077.db2.gz STMNRUXGMLVJGW-HNNXBMFYSA-N 1 0 293.367 1.698 20 5 CDBDRO COc1cccc(C2(C[NH2+]CC[N+](=O)[O-])CC2)c1 ZINC000905260284 626709974 /nfs/dbraw/zinc/70/99/74/626709974.db2.gz JVLDIQHPSMHAOO-UHFFFAOYSA-N 1 0 250.298 1.593 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000905366743 626785862 /nfs/dbraw/zinc/78/58/62/626785862.db2.gz HRIGZANCORMCJG-VIFPVBQESA-N 1 0 292.257 1.121 20 5 CDBDRO C[N@@H+]1CC[C@H](Cn2nnc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000912458997 630009436 /nfs/dbraw/zinc/00/94/36/630009436.db2.gz NIOSMMMWBPSJRH-JTQLQIEISA-N 1 0 288.311 1.200 20 5 CDBDRO CCN(CC)C(=O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000157793174 630612979 /nfs/dbraw/zinc/61/29/79/630612979.db2.gz FYGIQDUCYRGEQZ-CYBMUJFWSA-N 1 0 295.339 1.086 20 5 CDBDRO CC[C@@H](CO)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000915875424 631848500 /nfs/dbraw/zinc/84/85/00/631848500.db2.gz JKSYYKXNRAUDSY-UWVGGRQHSA-N 1 0 281.312 1.282 20 5 CDBDRO CC(C)([NH3+])CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831218109 695406754 /nfs/dbraw/zinc/40/67/54/695406754.db2.gz TYXOCEKNUJQRKQ-UHFFFAOYSA-N 1 0 285.731 1.992 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000053254299 695359111 /nfs/dbraw/zinc/35/91/11/695359111.db2.gz VPDPJJLUEYZYKQ-SNVBAGLBSA-N 1 0 264.285 1.468 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])o1 ZINC000923316363 695416199 /nfs/dbraw/zinc/41/61/99/695416199.db2.gz TXEOPIYSIROQNQ-VHSXEESVSA-N 1 0 279.296 1.497 20 5 CDBDRO C[N@@H+]1C[C@@H]2CCN(Cc3cccnc3[N+](=O)[O-])[C@@H]2C1 ZINC000886216172 695418352 /nfs/dbraw/zinc/41/83/52/695418352.db2.gz YOBIZMFKPFXBOL-CMPLNLGQSA-N 1 0 262.313 1.126 20 5 CDBDRO CN1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000848525391 695467156 /nfs/dbraw/zinc/46/71/56/695467156.db2.gz PSIVGVWMLOIUDR-MFKMUULPSA-N 1 0 261.325 1.876 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H]1C ZINC000827573969 695477383 /nfs/dbraw/zinc/47/73/83/695477383.db2.gz QORRHSQAOKVLFH-NWDGAFQWSA-N 1 0 285.388 1.763 20 5 CDBDRO C[C@@]([NH3+])(C(=O)NCCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000867945326 695492011 /nfs/dbraw/zinc/49/20/11/695492011.db2.gz UOYYAHCZVQBHII-AWEZNQCLSA-N 1 0 277.324 1.685 20 5 CDBDRO CC(C)(O)C[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000170686156 695582194 /nfs/dbraw/zinc/58/21/94/695582194.db2.gz WJERUAROAPDREQ-UHFFFAOYSA-N 1 0 297.330 1.627 20 5 CDBDRO CC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@H](C)O ZINC000834889615 695606904 /nfs/dbraw/zinc/60/69/04/695606904.db2.gz YFNKPKKSNOECKQ-PTRXPTGYSA-N 1 0 267.329 1.987 20 5 CDBDRO C[C@@H]1CCCN(Cc2cccnc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000886830792 695638036 /nfs/dbraw/zinc/63/80/36/695638036.db2.gz XJILXMIPQSGYMK-ZYHUDNBSSA-N 1 0 264.329 1.549 20 5 CDBDRO Cc1ccc(NC(=O)C2CC[NH+](CC[N+](=O)[O-])CC2)nc1 ZINC000929890072 695677310 /nfs/dbraw/zinc/67/73/10/695677310.db2.gz NKZBODYNEAJNJC-UHFFFAOYSA-N 1 0 292.339 1.317 20 5 CDBDRO CC[C@@]1(CO)CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000784394728 695754564 /nfs/dbraw/zinc/75/45/64/695754564.db2.gz VWAKZUTTXRDQKJ-GJZGRUSLSA-N 1 0 294.351 1.865 20 5 CDBDRO Cc1cc(=O)n(CCCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000830356310 695772363 /nfs/dbraw/zinc/77/23/63/695772363.db2.gz YWIGBGUQTJCGRA-UHFFFAOYSA-N 1 0 267.329 1.974 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H](CO)C1 ZINC000923008644 695781488 /nfs/dbraw/zinc/78/14/88/695781488.db2.gz URFOMVNUMIQVDH-UMSPYCQHSA-N 1 0 280.324 1.854 20 5 CDBDRO O=[N+]([O-])CCN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000929197162 695808758 /nfs/dbraw/zinc/80/87/58/695808758.db2.gz RAXJCVGTUOJVBN-UHFFFAOYSA-N 1 0 263.341 1.471 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000818014881 695811051 /nfs/dbraw/zinc/81/10/51/695811051.db2.gz BLOFKGQKBJXPIP-HNNXBMFYSA-N 1 0 289.335 1.871 20 5 CDBDRO C[C@@H]1OCC[C@]1(C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000300423827 695829057 /nfs/dbraw/zinc/82/90/57/695829057.db2.gz VYVBPFWSVBPVKF-BPNCWPANSA-N 1 0 280.324 1.785 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000886019260 695832150 /nfs/dbraw/zinc/83/21/50/695832150.db2.gz PKHJFHKZWNHBGO-CYBMUJFWSA-N 1 0 290.367 1.908 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](O)C1 ZINC000876588640 695838362 /nfs/dbraw/zinc/83/83/62/695838362.db2.gz AYMTZRBXPHVNOX-NSHDSACASA-N 1 0 250.298 1.778 20 5 CDBDRO C[NH2+]C[C@H](C)c1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000721132275 695839117 /nfs/dbraw/zinc/83/91/17/695839117.db2.gz USIURTPFAYHAQZ-QMMMGPOBSA-N 1 0 262.269 1.968 20 5 CDBDRO COCCN(C)C(=[NH2+])NCCc1ccccc1[N+](=O)[O-] ZINC000871604558 695844710 /nfs/dbraw/zinc/84/47/10/695844710.db2.gz GOTAWSHCMDBIOC-UHFFFAOYSA-N 1 0 280.328 1.240 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000852921206 695850284 /nfs/dbraw/zinc/85/02/84/695850284.db2.gz JXFFCIDJRLGJPG-MRVPVSSYSA-N 1 0 269.276 1.380 20 5 CDBDRO Cc1cc(NC[C@@H](O)C[NH+](C)C)c([N+](=O)[O-])s1 ZINC000853150773 695857440 /nfs/dbraw/zinc/85/74/40/695857440.db2.gz KCJGVSOLUFONBQ-MRVPVSSYSA-N 1 0 259.331 1.299 20 5 CDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)CCC[NH3+] ZINC000818523007 695886554 /nfs/dbraw/zinc/88/65/54/695886554.db2.gz VUUSBYAXZAXSMR-UHFFFAOYSA-N 1 0 280.328 1.082 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000882490688 695891474 /nfs/dbraw/zinc/89/14/74/695891474.db2.gz UDEFQXPWOMVJSY-JTQLQIEISA-N 1 0 292.339 1.461 20 5 CDBDRO [NH3+][C@H](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000109504850 695895942 /nfs/dbraw/zinc/89/59/42/695895942.db2.gz STCKRLZLTYHSKV-LLVKDONJSA-N 1 0 274.280 1.925 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CC[NH2+]C[C@@H]1C(F)F ZINC000886837294 695911822 /nfs/dbraw/zinc/91/18/22/695911822.db2.gz DYLIDKVGABIHTH-SECBINFHSA-N 1 0 272.255 1.029 20 5 CDBDRO CCCCN(CC(N)=O)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776578564 695968176 /nfs/dbraw/zinc/96/81/76/695968176.db2.gz GKDHEIRPPOTSTM-ZDUSSCGKSA-N 1 0 295.339 1.216 20 5 CDBDRO CN(CCC[N@H+](C)Cc1ccco1)CC[N+](=O)[O-] ZINC000930476078 696005968 /nfs/dbraw/zinc/00/59/68/696005968.db2.gz OAJLMYKLYOPCJX-UHFFFAOYSA-N 1 0 255.318 1.310 20 5 CDBDRO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000886033075 696007789 /nfs/dbraw/zinc/00/77/89/696007789.db2.gz RCPCTYFSMFKOTD-SNVBAGLBSA-N 1 0 251.286 1.458 20 5 CDBDRO C[C@H]([NH2+]CC1(CC(N)=O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817585799 696040664 /nfs/dbraw/zinc/04/06/64/696040664.db2.gz IFXNUVMFKXGLSH-VIFPVBQESA-N 1 0 292.339 1.483 20 5 CDBDRO Cc1cc(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000715066840 696048102 /nfs/dbraw/zinc/04/81/02/696048102.db2.gz RBPXMRYOCAQHTC-JGZJWPJOSA-N 1 0 263.297 1.370 20 5 CDBDRO Cc1cc(N2CCC([NH3+])(CO)CC2)c(F)cc1[N+](=O)[O-] ZINC000812458854 696161370 /nfs/dbraw/zinc/16/13/70/696161370.db2.gz MPKHAHSQRSDAEF-UHFFFAOYSA-N 1 0 283.303 1.332 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCOC[C@H]1O ZINC000872140901 696212355 /nfs/dbraw/zinc/21/23/55/696212355.db2.gz CMJUPNIQNDJQCR-LERXQTSPSA-N 1 0 280.324 1.704 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170307818 1162339706 /nfs/dbraw/zinc/33/97/06/1162339706.db2.gz IHYQLHDAJWWCMQ-GVXVVHGQSA-N 1 0 294.351 1.895 20 5 CDBDRO Cc1c(CC[NH3+])c(=O)[nH]n1-c1nc(Cl)ccc1[N+](=O)[O-] ZINC001170339235 1162346709 /nfs/dbraw/zinc/34/67/09/1162346709.db2.gz JEINYHWMDOABNK-UHFFFAOYSA-N 1 0 297.702 1.344 20 5 CDBDRO C[C@@H](Nc1cc2cc[nH]c2c([N+](=O)[O-])c1)[C@@H]1C[NH2+]CCO1 ZINC001170571082 1162958230 /nfs/dbraw/zinc/95/82/30/1162958230.db2.gz XYMIIRXCWPMEMP-RNCFNFMXSA-N 1 0 290.323 1.865 20 5 CDBDRO Cc1c(F)cnc(-n2cccc2C[NH3+])c1[N+](=O)[O-] ZINC001167581552 1159133903 /nfs/dbraw/zinc/13/39/03/1159133903.db2.gz FMOCIGXRZANWFL-UHFFFAOYSA-N 1 0 250.233 1.687 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cn(CC3CC3)cn2)C1 ZINC001168998623 1161997027 /nfs/dbraw/zinc/99/70/27/1161997027.db2.gz PBKYSCPGUINJBL-CHWSQXEVSA-N 1 0 278.356 1.828 20 5 CDBDRO [NH3+]Cc1cnn(-c2cc([N+](=O)[O-])cc(Cl)n2)c1 ZINC001157469877 1162104449 /nfs/dbraw/zinc/10/44/49/1162104449.db2.gz DSEPPAUCSINWEW-UHFFFAOYSA-N 1 0 253.649 1.288 20 5 CDBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000228392885 1164458826 /nfs/dbraw/zinc/45/88/26/1164458826.db2.gz UYACFDLEVLEHAK-AWEZNQCLSA-N 1 0 291.351 1.738 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825890890 1165885826 /nfs/dbraw/zinc/88/58/26/1165885826.db2.gz ALVXAQCINXTBIU-ZWNOBZJWSA-N 1 0 295.339 1.085 20 5 CDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000058233902 1167220026 /nfs/dbraw/zinc/22/00/26/1167220026.db2.gz RSRGHXDQVOLJSY-LBPRGKRZSA-N 1 0 263.297 1.419 20 5 CDBDRO Cc1nc(Cl)nc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c1[N+](=O)[O-] ZINC001155582846 1167241469 /nfs/dbraw/zinc/24/14/69/1167241469.db2.gz BEKKFDSDRXZRCG-VGMNWLOBSA-N 1 0 297.746 1.757 20 5 CDBDRO O=C([C@H]1CC[NH2+]C1)N1CCCCc2cc([N+](=O)[O-])ccc21 ZINC001574292749 1170941283 /nfs/dbraw/zinc/94/12/83/1170941283.db2.gz GWZHOWVGTCWIBV-LBPRGKRZSA-N 1 0 289.335 1.874 20 5 CDBDRO CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC001575090383 1171109877 /nfs/dbraw/zinc/10/98/77/1171109877.db2.gz SMWDLGKYEUVCTG-QWRGUYRKSA-N 1 0 289.335 1.445 20 5 CDBDRO C[C@@H](NC(=O)N1C[C@H]([NH3+])C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001576607927 1171466507 /nfs/dbraw/zinc/46/65/07/1171466507.db2.gz LMFIEOMATWYRAB-CKYFFXLPSA-N 1 0 292.339 1.787 20 5 CDBDRO Cc1ccnc(N[C@@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000070495819 1171666206 /nfs/dbraw/zinc/66/62/06/1171666206.db2.gz MAMDWRDRDSRDRS-LLVKDONJSA-N 1 0 262.313 1.804 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC001579242629 1172124440 /nfs/dbraw/zinc/12/44/40/1172124440.db2.gz UYDZQCSKWLJOJG-BDAKNGLRSA-N 1 0 294.311 1.557 20 5 CDBDRO C[C@@]1(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC001579473392 1172190897 /nfs/dbraw/zinc/19/08/97/1172190897.db2.gz ZSBBFWDBUFUSQQ-LBPRGKRZSA-N 1 0 264.285 1.258 20 5 CDBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)C1CC[NH2+]CC1 ZINC001579608701 1172224904 /nfs/dbraw/zinc/22/49/04/1172224904.db2.gz UIKILZFHRPIWBQ-UHFFFAOYSA-N 1 0 295.314 1.866 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NCC2([NH3+])CC2)c1F ZINC001579642823 1172232183 /nfs/dbraw/zinc/23/21/83/1172232183.db2.gz XNZMVGJCFLTUJO-UHFFFAOYSA-N 1 0 267.260 1.263 20 5 CDBDRO Cc1ccc(CNC(=O)N[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC001579696430 1172241871 /nfs/dbraw/zinc/24/18/71/1172241871.db2.gz MOAOTFARJWWKCZ-SECBINFHSA-N 1 0 266.301 1.050 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC001580377512 1172418039 /nfs/dbraw/zinc/41/80/39/1172418039.db2.gz ANRUBNVOXGEWLE-QWHCGFSZSA-N 1 0 291.351 1.771 20 5 CDBDRO O=[N+]([O-])c1cccc(CNc2cc[nH+]cc2-c2nn[nH]n2)c1 ZINC001593484326 1174084332 /nfs/dbraw/zinc/08/43/32/1174084332.db2.gz VUFWLYUSOMAFCR-UHFFFAOYSA-N 1 0 297.278 1.204 20 5 CDBDRO Cc1cnc(NCC[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000230940731 1178159714 /nfs/dbraw/zinc/15/97/14/1178159714.db2.gz YMIUGZGUISVNOJ-UHFFFAOYSA-N 1 0 282.369 1.759 20 5 CDBDRO CN(CC[N@H+](C)CC1CCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001753853409 1185361227 /nfs/dbraw/zinc/36/12/27/1185361227.db2.gz XFMBWBAABAUHLH-ZIAGYGMSSA-N 1 0 297.399 1.622 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000401270067 1186409140 /nfs/dbraw/zinc/40/91/40/1186409140.db2.gz UITSEDFXDVWOCQ-VWYCJHECSA-N 1 0 277.324 1.806 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccns2)cc1 ZINC000404397428 1186514414 /nfs/dbraw/zinc/51/44/14/1186514414.db2.gz PIJQYDGIXLWQGJ-GFCCVEGCSA-N 1 0 279.321 1.875 20 5 CDBDRO C[C@@H](NCC1C[NH2+]C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817964523 724401986 /nfs/dbraw/zinc/40/19/86/724401986.db2.gz BSWGVBDPLYJUIP-MRVPVSSYSA-N 1 0 250.302 1.047 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCOC2CCC2)c1 ZINC000819119885 724407523 /nfs/dbraw/zinc/40/75/23/724407523.db2.gz FVYBXPYHFOHUGK-CQSZACIVSA-N 1 0 280.324 1.787 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876818373 724431569 /nfs/dbraw/zinc/43/15/69/724431569.db2.gz SUVMDWCFQXDOAZ-BETUJISGSA-N 1 0 275.352 1.863 20 5 CDBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000845662055 724442252 /nfs/dbraw/zinc/44/22/52/724442252.db2.gz FZYTUUVBIPQENB-NSHDSACASA-N 1 0 272.345 1.849 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)c(F)c1 ZINC000712264230 723709190 /nfs/dbraw/zinc/70/91/90/723709190.db2.gz YCSKJDJJTWLGJF-LJWDBELGSA-N 1 0 280.299 1.937 20 5 CDBDRO CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001021747853 723713053 /nfs/dbraw/zinc/71/30/53/723713053.db2.gz DFKNTYGMOZQEHQ-TXEJJXNPSA-N 1 0 263.297 1.352 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000124594781 723734010 /nfs/dbraw/zinc/73/40/10/723734010.db2.gz PDIFPPMLOKTQIA-UHFFFAOYSA-N 1 0 285.731 1.930 20 5 CDBDRO O=[N+]([O-])CCN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000791052368 723753319 /nfs/dbraw/zinc/75/33/19/723753319.db2.gz MLIFXTVRBFJLKC-UHFFFAOYSA-N 1 0 269.389 1.851 20 5 CDBDRO CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2C1 ZINC001054264383 723753733 /nfs/dbraw/zinc/75/37/33/723753733.db2.gz CFVADBLSJWNAAI-ZIAGYGMSSA-N 1 0 289.335 1.304 20 5 CDBDRO C[NH+](C)C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000840254225 723775923 /nfs/dbraw/zinc/77/59/23/723775923.db2.gz UMAOGYAXPRBKOY-JTQLQIEISA-N 1 0 282.319 1.907 20 5 CDBDRO CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001021744248 723772809 /nfs/dbraw/zinc/77/28/09/723772809.db2.gz VXXKXGWSCBIIBQ-AOOOYVTPSA-N 1 0 283.353 1.803 20 5 CDBDRO C[N@@H+]1CCCC12CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC2 ZINC000827747639 723800271 /nfs/dbraw/zinc/80/02/71/723800271.db2.gz PMOPWYUYTHWSTK-UHFFFAOYSA-N 1 0 297.399 1.909 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCOC ZINC000060942017 723858747 /nfs/dbraw/zinc/85/87/47/723858747.db2.gz RBRUBDDJVDSIMH-UHFFFAOYSA-N 1 0 254.286 1.730 20 5 CDBDRO COC(=O)[C@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000853129185 723915273 /nfs/dbraw/zinc/91/52/73/723915273.db2.gz GHLHAJRTRGLPPA-NQBHXWOUSA-N 1 0 294.307 1.169 20 5 CDBDRO CC[C@@H]([NH3+])c1cn(Cc2ccc([N+](=O)[O-])c(F)c2)nn1 ZINC000229934678 724022850 /nfs/dbraw/zinc/02/28/50/724022850.db2.gz LIRTWGLBUCICAX-SNVBAGLBSA-N 1 0 279.275 1.784 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866370807 724080197 /nfs/dbraw/zinc/08/01/97/724080197.db2.gz FCSZWQIFEFFJLE-VHSXEESVSA-N 1 0 297.330 1.779 20 5 CDBDRO C[C@@]([NH3+])(C(=O)NCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000867953116 724103188 /nfs/dbraw/zinc/10/31/88/724103188.db2.gz NICQHWPCOBPNOT-ZDUSSCGKSA-N 1 0 263.297 1.295 20 5 CDBDRO CS(=O)(=O)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848525640 724112681 /nfs/dbraw/zinc/11/26/81/724112681.db2.gz OXTGIKXAIOSOGP-LLVKDONJSA-N 1 0 284.337 1.216 20 5 CDBDRO C[C@@](C[NH3+])(NCc1cccnc1[N+](=O)[O-])C1CC1 ZINC000886830094 724124836 /nfs/dbraw/zinc/12/48/36/724124836.db2.gz MAEIUGSUTDCIDB-LBPRGKRZSA-N 1 0 250.302 1.207 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H](C)C[NH3+])n2)c1 ZINC000823089555 724304245 /nfs/dbraw/zinc/30/42/45/724304245.db2.gz VTDOCJYXPIXKLG-QMMMGPOBSA-N 1 0 292.295 1.639 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C/C=C/CO ZINC000866389830 724456531 /nfs/dbraw/zinc/45/65/31/724456531.db2.gz WOVLUWQOJYMEPF-VMZHVLLKSA-N 1 0 268.288 1.803 20 5 CDBDRO CC(C)=CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001000676209 724485169 /nfs/dbraw/zinc/48/51/69/724485169.db2.gz ZNYZVXOHAXZLBO-ZIAGYGMSSA-N 1 0 293.367 1.366 20 5 CDBDRO CCO[C@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000932973963 725457419 /nfs/dbraw/zinc/45/74/19/725457419.db2.gz YJCGKJRKVZPQEF-NSHDSACASA-N 1 0 268.317 1.211 20 5 CDBDRO CC[NH2+][C@H](C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000876702994 724544789 /nfs/dbraw/zinc/54/47/89/724544789.db2.gz GRNGNKHXIHODJE-MRVPVSSYSA-N 1 0 285.731 1.862 20 5 CDBDRO [NH3+][C@H]1C[C@@H](c2nc(Cc3ccccc3[N+](=O)[O-])no2)C1 ZINC000843170995 724553714 /nfs/dbraw/zinc/55/37/14/724553714.db2.gz ORIHSSGELOORIC-AOOOYVTPSA-N 1 0 274.280 1.773 20 5 CDBDRO C[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817970800 724587174 /nfs/dbraw/zinc/58/71/74/724587174.db2.gz FIXSVFJBZJDATD-JFGNBEQYSA-N 1 0 278.356 1.968 20 5 CDBDRO C[NH2+][C@H](C)Cc1noc(-c2cc([N+](=O)[O-])ccc2N)n1 ZINC000842635330 724602501 /nfs/dbraw/zinc/60/25/01/724602501.db2.gz MCRDSVDTARHYIP-SSDOTTSWSA-N 1 0 277.284 1.377 20 5 CDBDRO Cc1nc([N+](=O)[O-])c(-c2noc(CCCCC[NH3+])n2)n1C ZINC000823094373 724618690 /nfs/dbraw/zinc/61/86/90/724618690.db2.gz QAYDSINXLKQUMQ-UHFFFAOYSA-N 1 0 294.315 1.358 20 5 CDBDRO CC[NH+](CC)CCNc1ncc([N+](=O)[O-])cc1OC ZINC000891390219 724630616 /nfs/dbraw/zinc/63/06/16/724630616.db2.gz MICUERJXIXATAQ-UHFFFAOYSA-N 1 0 268.317 1.752 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c1C ZINC000884293252 724672340 /nfs/dbraw/zinc/67/23/40/724672340.db2.gz XYDUXMGELSKVOM-QWRGUYRKSA-N 1 0 295.314 1.641 20 5 CDBDRO CC[C@@H](CCO)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843077724 724810975 /nfs/dbraw/zinc/81/09/75/724810975.db2.gz GLYGQBLLSJWMDM-FZMZJTMJSA-N 1 0 282.340 1.626 20 5 CDBDRO [NH3+]CCCCCCCn1ccc(=O)c([N+](=O)[O-])c1 ZINC000830350721 724830499 /nfs/dbraw/zinc/83/04/99/724830499.db2.gz HRGLTDFMEYKNSP-UHFFFAOYSA-N 1 0 253.302 1.666 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865807721 723780475 /nfs/dbraw/zinc/78/04/75/723780475.db2.gz XIGLLBFMPVNZNJ-QMMMGPOBSA-N 1 0 271.292 1.588 20 5 CDBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nccn1C ZINC000775387343 723780921 /nfs/dbraw/zinc/78/09/21/723780921.db2.gz XCJIUGDKYQKTTI-GXFFZTMASA-N 1 0 290.323 1.713 20 5 CDBDRO CCN1CC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000708691188 723797995 /nfs/dbraw/zinc/79/79/95/723797995.db2.gz YPVQFWZKPADNLL-GWCFXTLKSA-N 1 0 277.324 1.866 20 5 CDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000839570078 723918517 /nfs/dbraw/zinc/91/85/17/723918517.db2.gz VVSVRNPEOUNZTD-CHWSQXEVSA-N 1 0 281.356 1.129 20 5 CDBDRO C[C@@H](CCNc1cc(N)ccc1[N+](=O)[O-])[NH+](C)C ZINC000853799083 724003517 /nfs/dbraw/zinc/00/35/17/724003517.db2.gz NZLJRXBYPAOCDS-VIFPVBQESA-N 1 0 252.318 1.929 20 5 CDBDRO O=[N+]([O-])CCN1CC[NH+](CCc2ccccc2)CC1 ZINC000791053370 724037100 /nfs/dbraw/zinc/03/71/00/724037100.db2.gz LHMGIBKPFJBIES-UHFFFAOYSA-N 1 0 263.341 1.123 20 5 CDBDRO CC(C)[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000930437862 724137688 /nfs/dbraw/zinc/13/76/88/724137688.db2.gz RVBQWIYISSREAI-OLZOCXBDSA-N 1 0 252.314 1.611 20 5 CDBDRO CO[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000819127565 724183060 /nfs/dbraw/zinc/18/30/60/724183060.db2.gz IBWGMNOFIPPKFF-UONOGXRCSA-N 1 0 282.340 1.889 20 5 CDBDRO COc1cc(Cc2noc([C@@H]3C[C@@H]3[NH3+])n2)ccc1[N+](=O)[O-] ZINC000822863806 724325822 /nfs/dbraw/zinc/32/58/22/724325822.db2.gz VAANXJMEIRNNPP-BDAKNGLRSA-N 1 0 290.279 1.392 20 5 CDBDRO CC(F)(F)CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000876972348 724337114 /nfs/dbraw/zinc/33/71/14/724337114.db2.gz SDEDGAUPDMGCKW-LBPRGKRZSA-N 1 0 287.266 1.540 20 5 CDBDRO CO[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[C@H]1C ZINC000886160032 725068821 /nfs/dbraw/zinc/06/88/21/725068821.db2.gz IJABQZZANBOSQW-PWSUYJOCSA-N 1 0 265.313 1.847 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000873009047 725126568 /nfs/dbraw/zinc/12/65/68/725126568.db2.gz GAQCNRZRBNCCDM-LLVKDONJSA-N 1 0 298.364 1.488 20 5 CDBDRO C[C@]1(C[NH3+])CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000261721523 725178950 /nfs/dbraw/zinc/17/89/50/725178950.db2.gz KFLLNEOKMDZQEE-GFCCVEGCSA-N 1 0 293.352 1.775 20 5 CDBDRO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000261607328 725181656 /nfs/dbraw/zinc/18/16/56/725181656.db2.gz RSQPALOXYINIKB-XCBNKYQSSA-N 1 0 267.260 1.296 20 5 CDBDRO C[C@@](C[NH3+])(NCc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000843355132 725223461 /nfs/dbraw/zinc/22/34/61/725223461.db2.gz BYFBPYNACOCNPJ-ZDUSSCGKSA-N 1 0 267.304 1.951 20 5 CDBDRO CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000858582685 725235131 /nfs/dbraw/zinc/23/51/31/725235131.db2.gz SEEPMYYJJLWVSK-QWRGUYRKSA-N 1 0 295.339 1.962 20 5 CDBDRO C[C@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[NH+](C)C ZINC000824003025 725241169 /nfs/dbraw/zinc/24/11/69/725241169.db2.gz LTCVVXQDPTWKDU-MRVPVSSYSA-N 1 0 281.316 1.249 20 5 CDBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000840120767 725242977 /nfs/dbraw/zinc/24/29/77/725242977.db2.gz OFEBYNABHPCFJG-SCRDCRAPSA-N 1 0 294.355 1.683 20 5 CDBDRO C[C@@H](CCO)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844446029 725246087 /nfs/dbraw/zinc/24/60/87/725246087.db2.gz BKBPPJHDOQVROL-GWCFXTLKSA-N 1 0 268.313 1.331 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000168722872 725316189 /nfs/dbraw/zinc/31/61/89/725316189.db2.gz UHTHZQAAZWRDLI-RKDXNWHRSA-N 1 0 281.287 1.543 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000882484902 725324739 /nfs/dbraw/zinc/32/47/39/725324739.db2.gz NFPNVAAAXJLIBF-JTQLQIEISA-N 1 0 281.287 1.558 20 5 CDBDRO COCC[C@@]1([NH2+]Cc2cccnc2[N+](=O)[O-])CCOC1 ZINC000886174949 725326320 /nfs/dbraw/zinc/32/63/20/725326320.db2.gz NCIYHBFSWNSFEH-CYBMUJFWSA-N 1 0 281.312 1.275 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(Cc2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000886097976 725330730 /nfs/dbraw/zinc/33/07/30/725330730.db2.gz HNDWTHCZYZMFNS-RYUDHWBXSA-N 1 0 278.356 1.904 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000886841434 725381603 /nfs/dbraw/zinc/38/16/03/725381603.db2.gz LIKLPVPFIFFFGS-NEPJUHHUSA-N 1 0 262.313 1.316 20 5 CDBDRO C[C@H]1CN(CC[N+](=O)[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000931178518 725384859 /nfs/dbraw/zinc/38/48/59/725384859.db2.gz UPPGYEPTQZJGFG-WDEREUQCSA-N 1 0 272.345 1.563 20 5 CDBDRO C[C@H](N[C@H](C[NH3+])C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817959742 725406489 /nfs/dbraw/zinc/40/64/89/725406489.db2.gz IBRQXXBMRTWSMK-QPUJVOFHSA-N 1 0 264.329 1.565 20 5 CDBDRO CCCN1CC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000853113711 725408855 /nfs/dbraw/zinc/40/88/55/725408855.db2.gz KGLMSIWXGBWPJE-UKRRQHHQSA-N 1 0 293.367 1.702 20 5 CDBDRO C[NH2+]C[C@H](C)c1noc(CNc2ccccc2[N+](=O)[O-])n1 ZINC000842580872 725409788 /nfs/dbraw/zinc/40/97/88/725409788.db2.gz IXXCTRQQNQIYHM-VIFPVBQESA-N 1 0 291.311 1.913 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000884344142 725410917 /nfs/dbraw/zinc/41/09/17/725410917.db2.gz YSCGIINJTCXFOU-UHFFFAOYSA-N 1 0 279.340 1.893 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(CCOc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000931282204 725412334 /nfs/dbraw/zinc/41/23/34/725412334.db2.gz LZMSAYURXBBUGN-JYAVWHMHSA-N 1 0 291.351 1.465 20 5 CDBDRO CC[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000823087400 725414530 /nfs/dbraw/zinc/41/45/30/725414530.db2.gz BLKIENBDFWHBMR-YUMQZZPRSA-N 1 0 292.299 1.234 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000865905007 725417303 /nfs/dbraw/zinc/41/73/03/725417303.db2.gz YXBCRSXFSONWTK-NEPJUHHUSA-N 1 0 261.325 1.983 20 5 CDBDRO CN(C(=O)Nc1ccncc1[N+](=O)[O-])C1CCC([NH3+])CC1 ZINC000841169444 725419443 /nfs/dbraw/zinc/41/94/43/725419443.db2.gz RPYZJFJSYWBZDP-UHFFFAOYSA-N 1 0 293.327 1.145 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000850722581 725454172 /nfs/dbraw/zinc/45/41/72/725454172.db2.gz MSACRLBKBSUHGW-SSDOTTSWSA-N 1 0 286.719 1.978 20 5 CDBDRO [NH3+][C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923281558 725484305 /nfs/dbraw/zinc/48/43/05/725484305.db2.gz MPSOECYFBJTGNE-YPMHNXCESA-N 1 0 265.313 1.051 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702048194 725584181 /nfs/dbraw/zinc/58/41/81/725584181.db2.gz FXWFXYVFXKBOOR-ZETCQYMHSA-N 1 0 271.704 1.573 20 5 CDBDRO COC[C@@H](CCO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000228347713 725936081 /nfs/dbraw/zinc/93/60/81/725936081.db2.gz WTWYEDOOHOKIMC-LLVKDONJSA-N 1 0 288.731 1.735 20 5 CDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cn2nccc2[N+](=O)[O-])C1 ZINC000246934706 725958091 /nfs/dbraw/zinc/95/80/91/725958091.db2.gz KZUALTDXNJUBAJ-RYUDHWBXSA-N 1 0 279.344 1.165 20 5 CDBDRO Cc1c(CNC(=[NH2+])NC(C)C)cccc1[N+](=O)[O-] ZINC000231865051 725972931 /nfs/dbraw/zinc/97/29/31/725972931.db2.gz KHUZXOMJGULURZ-UHFFFAOYSA-N 1 0 250.302 1.926 20 5 CDBDRO O=C(NC[C@H]1CC[NH2+]C1)Nc1cccc([N+](=O)[O-])c1 ZINC000133706925 726006942 /nfs/dbraw/zinc/00/69/42/726006942.db2.gz RNBZIPZSGZZTRL-VIFPVBQESA-N 1 0 264.285 1.326 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001575955736 1167655486 /nfs/dbraw/zinc/65/54/86/1167655486.db2.gz PQRPFEAZBZSQQO-ZCFIWIBFSA-N 1 0 286.719 1.298 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@@H]([NH3+])C2)c1F ZINC001173180298 912282990 /nfs/dbraw/zinc/28/29/90/912282990.db2.gz UUOXFALZJTZZOR-NXEZZACHSA-N 1 0 297.330 1.707 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(C)OCCO1 ZINC001173218523 912301001 /nfs/dbraw/zinc/30/10/01/912301001.db2.gz PSJWZCFFOVWPFK-NSHDSACASA-N 1 0 280.324 1.878 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)NC1CCC1 ZINC001173221716 912305193 /nfs/dbraw/zinc/30/51/93/912305193.db2.gz PEDXNDQCHOTJCD-LLVKDONJSA-N 1 0 291.351 1.784 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC001173223031 912310513 /nfs/dbraw/zinc/31/05/13/912310513.db2.gz WPOFYKWXNUSPDR-MISXGVKJSA-N 1 0 264.325 1.838 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](CO)C1 ZINC001173226826 912321193 /nfs/dbraw/zinc/32/11/93/912321193.db2.gz LUUYRFIUOPRREA-YPMHNXCESA-N 1 0 264.325 1.840 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)[N+](=O)[O-])n2C)C[C@H]1C ZINC001121298562 912955595 /nfs/dbraw/zinc/95/55/95/912955595.db2.gz ZIAUBABBGJJHMC-VWYCJHECSA-N 1 0 296.375 1.072 20 5 CDBDRO COc1nc(SC)nc(N[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001167270040 895008380 /nfs/dbraw/zinc/00/83/80/895008380.db2.gz KVEAPUMGFOQFGN-ZETCQYMHSA-N 1 0 299.356 1.231 20 5 CDBDRO Cc1c(F)cnc(N[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001167270257 895009138 /nfs/dbraw/zinc/00/91/38/895009138.db2.gz QJGKKJJIIVTGMR-QMMMGPOBSA-N 1 0 254.265 1.553 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@H+](C)C1 ZINC001167272785 895016706 /nfs/dbraw/zinc/01/67/06/895016706.db2.gz DCPVNURCBCQRLH-QMMMGPOBSA-N 1 0 251.290 1.148 20 5 CDBDRO [NH3+][C@H]1C[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000693352174 895836576 /nfs/dbraw/zinc/83/65/76/895836576.db2.gz RMUPJDYMVUCKGO-DTORHVGOSA-N 1 0 260.253 1.850 20 5 CDBDRO [NH3+]Cc1cccn1-c1ncc2cccc([N+](=O)[O-])c2n1 ZINC001167590197 896937311 /nfs/dbraw/zinc/93/73/11/896937311.db2.gz UPOFKCZQJQUIJW-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000692682808 899851782 /nfs/dbraw/zinc/85/17/82/899851782.db2.gz ZZVRQUHHFOAJPW-KCJUWKMLSA-N 1 0 254.261 1.858 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccnc1Cl ZINC001225587603 903143997 /nfs/dbraw/zinc/14/39/97/903143997.db2.gz JKXQKNJAWITXED-SECBINFHSA-N 1 0 273.740 1.098 20 5 CDBDRO C[C@H](C[NH+](C)C)Oc1ccnc(Cl)c1[N+](=O)[O-] ZINC000710629482 903346591 /nfs/dbraw/zinc/34/65/91/903346591.db2.gz CWSVWMFZKNSHSQ-SSDOTTSWSA-N 1 0 259.693 1.972 20 5 CDBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000063167745 1169104951 /nfs/dbraw/zinc/10/49/51/1169104951.db2.gz LOSMYZDNYVWLPH-VIFPVBQESA-N 1 0 283.353 1.870 20 5 CDBDRO Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1F ZINC001126936953 909939974 /nfs/dbraw/zinc/93/99/74/909939974.db2.gz YMZLBOXIXNRTLX-DGCLKSJQSA-N 1 0 295.314 1.005 20 5 CDBDRO O=C(NCC[NH2+]C/C=C/c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126942764 909997022 /nfs/dbraw/zinc/99/70/22/909997022.db2.gz GQBPZXBNULOYEJ-HMJDLUCASA-N 1 0 289.335 1.071 20 5 CDBDRO [NH3+]Cc1nccnc1Nc1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001171440621 910540797 /nfs/dbraw/zinc/54/07/97/910540797.db2.gz GAGLTSQFZIBQAJ-UHFFFAOYSA-N 1 0 285.267 1.463 20 5 CDBDRO [NH3+][C@H]1CCN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899201 912036627 /nfs/dbraw/zinc/03/66/27/912036627.db2.gz MDFGHOARLAVYQG-UONOGXRCSA-N 1 0 275.352 1.875 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1C[C@@H](O)C1)CC2 ZINC001172898157 912038930 /nfs/dbraw/zinc/03/89/30/912038930.db2.gz GYGQGQKFLGJMPB-KCQAQPDRSA-N 1 0 276.336 1.955 20 5 CDBDRO CC[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(N)=O ZINC001172895720 912052031 /nfs/dbraw/zinc/05/20/31/912052031.db2.gz HZRLTUKLFMXKON-JSGCOSHPSA-N 1 0 291.351 1.696 20 5 CDBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000242978617 917206606 /nfs/dbraw/zinc/20/66/06/917206606.db2.gz HQKMLYLKQULBFM-UHFFFAOYSA-N 1 0 284.703 1.685 20 5 CDBDRO CCC1(Nc2cc([N+](=O)[O-])c(OC)cn2)C[NH2+]C1 ZINC001168583429 919291224 /nfs/dbraw/zinc/29/12/24/919291224.db2.gz LKGVHUYWDBVTSD-UHFFFAOYSA-N 1 0 252.274 1.162 20 5 CDBDRO [NH3+]Cc1ccnn1-c1cc([N+](=O)[O-])ccc1Cl ZINC001162593615 922792054 /nfs/dbraw/zinc/79/20/54/922792054.db2.gz MCCRNORNZMDKCY-UHFFFAOYSA-N 1 0 252.661 1.893 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cnccn1 ZINC001168978137 927565648 /nfs/dbraw/zinc/56/56/48/927565648.db2.gz OTGXRDPZLOWDEU-GARJFASQSA-N 1 0 250.302 1.573 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2cnccn2)C1 ZINC001168978567 927566170 /nfs/dbraw/zinc/56/61/70/927566170.db2.gz SOACVDFCBNBDSR-QWRGUYRKSA-N 1 0 250.302 1.054 20 5 CDBDRO O=c1[nH]cccc1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168980320 927568204 /nfs/dbraw/zinc/56/82/04/927568204.db2.gz CVWUIZYLOMMQAV-GXSJLCMTSA-N 1 0 251.286 1.322 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H](CO)c2ccc(F)cc2)C1 ZINC001168986213 927574751 /nfs/dbraw/zinc/57/47/51/927574751.db2.gz WYNVGJPFKVMUSF-GDLCADMTSA-N 1 0 282.315 1.894 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2)C1 ZINC001168960232 927579577 /nfs/dbraw/zinc/57/95/77/927579577.db2.gz FAEMZOZHEWYAFI-UBHSHLNASA-N 1 0 264.325 1.755 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(O)cc2)C1 ZINC001168964509 927586477 /nfs/dbraw/zinc/58/64/77/927586477.db2.gz ULMXTPUXFYUYJK-CHWSQXEVSA-N 1 0 264.325 1.970 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](CO)[C@@H](O)c2ccccc2)C1 ZINC001168972658 927597319 /nfs/dbraw/zinc/59/73/19/927597319.db2.gz APHTYGYUZSJSFX-RZFFKMDDSA-N 1 0 294.351 1.116 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H]2COc3cnccc32)C1 ZINC001169001992 927606501 /nfs/dbraw/zinc/60/65/01/927606501.db2.gz IXJHWFOROSMYFT-WOPDTQHZSA-N 1 0 277.324 1.593 20 5 CDBDRO Cc1ncncc1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169001476 927606702 /nfs/dbraw/zinc/60/67/02/927606702.db2.gz GICCJTNPHROGPS-JQWIXIFHSA-N 1 0 250.302 1.320 20 5 CDBDRO C[C@]1(CO)CC(F)(F)CN1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169010268 927615070 /nfs/dbraw/zinc/61/50/70/927615070.db2.gz BZYZDPHCOMTLPU-HBNTYKKESA-N 1 0 278.299 1.524 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2Oc3ccccc3O2)C1 ZINC001168988937 927626959 /nfs/dbraw/zinc/62/69/59/927626959.db2.gz VCXZOIDGFOJGPW-WDEREUQCSA-N 1 0 278.308 1.819 20 5 CDBDRO CC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCN(C)CC1 ZINC001169029093 927635644 /nfs/dbraw/zinc/63/56/44/927635644.db2.gz UGTUMJIHCIWKSY-JSGCOSHPSA-N 1 0 269.389 1.848 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCc3ncccc3C2)C1 ZINC001169034530 927640139 /nfs/dbraw/zinc/64/01/39/927640139.db2.gz HKBXNNWRIFSLDO-DGCLKSJQSA-N 1 0 261.325 1.885 20 5 CDBDRO C[N@H+](C[C@@H]1CCCCO1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035363 927643658 /nfs/dbraw/zinc/64/36/58/927643658.db2.gz KPSUNJGDKBAGPC-AVGNSLFASA-N 1 0 256.346 1.933 20 5 CDBDRO O=C1CCCN1C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169036853 927646530 /nfs/dbraw/zinc/64/65/30/927646530.db2.gz HSJWZYFUHKPGGI-JSGCOSHPSA-N 1 0 295.383 1.519 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCc3ccncc3C2)C1 ZINC001169037988 927646712 /nfs/dbraw/zinc/64/67/12/927646712.db2.gz UUOUXVYFWJIMBA-BXUZGUMPSA-N 1 0 261.325 1.885 20 5 CDBDRO CC1(C)C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCCO1 ZINC001169037754 927646756 /nfs/dbraw/zinc/64/67/56/927646756.db2.gz UCEHNNNKKZEMKY-NWDGAFQWSA-N 1 0 256.346 1.933 20 5 CDBDRO CCC1(O)CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169038179 927647063 /nfs/dbraw/zinc/64/70/63/927647063.db2.gz WLHWVCLGDWELQS-VXGBXAGGSA-N 1 0 256.346 1.669 20 5 CDBDRO CCOC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038566 927650206 /nfs/dbraw/zinc/65/02/06/927650206.db2.gz ZRINBFCLTBESJP-UPJWGTAASA-N 1 0 284.356 1.849 20 5 CDBDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169040432 927652860 /nfs/dbraw/zinc/65/28/60/927652860.db2.gz ZVMJSDDKBNGBBG-ITGHMWBKSA-N 1 0 296.367 1.705 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@]3(C2)CCCOC3)C1 ZINC001169039959 927654647 /nfs/dbraw/zinc/65/46/47/927654647.db2.gz WIYCIXAMTRRQCQ-MCIONIFRSA-N 1 0 268.357 1.934 20 5 CDBDRO Cc1cnc(C[NH3+])n1-c1ncc(F)c(C)c1[N+](=O)[O-] ZINC001169021067 927660369 /nfs/dbraw/zinc/66/03/69/927660369.db2.gz WXIQCEHOTDOMIK-UHFFFAOYSA-N 1 0 265.248 1.390 20 5 CDBDRO O=C1CCCC2(CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)N1 ZINC001169024125 927663210 /nfs/dbraw/zinc/66/32/10/927663210.db2.gz PZPHBOBULDFOAO-CHWSQXEVSA-N 1 0 295.383 1.567 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCOC[C@H]2C2CC2)C1 ZINC001169047860 927667040 /nfs/dbraw/zinc/66/70/40/927667040.db2.gz RXPBESVLJRKDPF-WXHSDQCUSA-N 1 0 254.330 1.543 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](Oc3cccnc3)C2)C1 ZINC001169025949 927667109 /nfs/dbraw/zinc/66/71/09/927667109.db2.gz KFKKIJZEFJABLK-IPYPFGDCSA-N 1 0 291.351 1.980 20 5 CDBDRO Cc1c[n+]([O-])c(-n2ncc3c2cccc3C[NH3+])cc1[N+](=O)[O-] ZINC001169191619 927799969 /nfs/dbraw/zinc/79/99/69/927799969.db2.gz KSEGGIWVTGCBFF-UHFFFAOYSA-N 1 0 299.290 1.334 20 5 CDBDRO CCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001115530885 937390576 /nfs/dbraw/zinc/39/05/76/937390576.db2.gz WTKYRLRWOSENFA-VXGBXAGGSA-N 1 0 283.372 1.470 20 5 CDBDRO CCCC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001154149816 930813288 /nfs/dbraw/zinc/81/32/88/930813288.db2.gz WCEAEJLUNSBPSK-UHFFFAOYSA-N 1 0 279.340 1.991 20 5 CDBDRO Cc1c(Cc2noc([C@@H](C)C[NH3+])n2)cccc1[N+](=O)[O-] ZINC000822863735 931216433 /nfs/dbraw/zinc/21/64/33/931216433.db2.gz SVTRUNCBIGOEQZ-QMMMGPOBSA-N 1 0 276.296 1.939 20 5 CDBDRO Cc1cc(Cl)nc(-n2cnc(C[NH3+])c2)c1[N+](=O)[O-] ZINC001154907056 937602730 /nfs/dbraw/zinc/60/27/30/937602730.db2.gz SYPAZGKMCLYERN-UHFFFAOYSA-N 1 0 267.676 1.596 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ncc1NC[C@@H]1CCCC[NH2+]1 ZINC001171333817 932736864 /nfs/dbraw/zinc/73/68/64/932736864.db2.gz FUODKRBVOIJRBF-VIFPVBQESA-N 1 0 294.311 1.330 20 5 CDBDRO [NH3+]Cc1ccnn1-c1ncc([N+](=O)[O-])c2ccccc21 ZINC001155125594 937639372 /nfs/dbraw/zinc/63/93/72/937639372.db2.gz SIOULGKYNNWYLF-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO CC(C)C[C@H](C[NH3+])NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC001121805451 937883504 /nfs/dbraw/zinc/88/35/04/937883504.db2.gz DWAYHUZIMNUQNK-SNVBAGLBSA-N 1 0 297.359 1.016 20 5 CDBDRO [NH3+]CCONC(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001156285463 938347512 /nfs/dbraw/zinc/34/75/12/938347512.db2.gz LPFICUOWMPAUFT-UHFFFAOYSA-N 1 0 282.634 1.172 20 5 CDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1nc(C)cc(C)c1[N+](=O)[O-] ZINC001157115906 938456189 /nfs/dbraw/zinc/45/61/89/938456189.db2.gz DTVZVHROMFFNBI-SNVBAGLBSA-N 1 0 296.327 1.299 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)n1 ZINC001157264546 938472025 /nfs/dbraw/zinc/47/20/25/938472025.db2.gz FGDGLYUIUAPPHR-CMPLNLGQSA-N 1 0 277.328 1.224 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NC1(C)CC[NH2+]CC1 ZINC001157397670 938486898 /nfs/dbraw/zinc/48/68/98/938486898.db2.gz WCPAPELZFHCVLR-UHFFFAOYSA-N 1 0 294.311 1.330 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001157445990 938492602 /nfs/dbraw/zinc/49/26/02/938492602.db2.gz RCEXDEGEFFECBG-ZJUUUORDSA-N 1 0 254.265 1.410 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@H]([NH3+])[C@@H]2C)n1 ZINC001157742093 938539022 /nfs/dbraw/zinc/53/90/22/938539022.db2.gz PGSWNNWCLAAATJ-DTWKUNHWSA-N 1 0 281.316 1.018 20 5 CDBDRO CC(C)[N@@H+]1CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])C[C@@H]1C ZINC001158494237 938630072 /nfs/dbraw/zinc/63/00/72/938630072.db2.gz XWKVBLZTVTVZCB-NSHDSACASA-N 1 0 280.328 1.147 20 5 CDBDRO COc1cc(N2CCC[C@@](C)(C[NH3+])C2)ncc1[N+](=O)[O-] ZINC001158676217 938649381 /nfs/dbraw/zinc/64/93/81/938649381.db2.gz YRCSTZGQDOSQHF-ZDUSSCGKSA-N 1 0 280.328 1.564 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(N3CC4(C3)CCC[NH2+]C4)cnc2c1 ZINC001159020191 938691215 /nfs/dbraw/zinc/69/12/15/938691215.db2.gz YBWFZMIFDAZIJN-UHFFFAOYSA-N 1 0 299.334 1.728 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC3(C[NH2+]C3)CC2)c(F)c1 ZINC001159041768 938695283 /nfs/dbraw/zinc/69/52/83/938695283.db2.gz BYPIZDXRCSISDF-UHFFFAOYSA-N 1 0 266.276 1.319 20 5 CDBDRO O=[N+]([O-])c1cccc2nc(N[C@@H]3C[NH2+]C[C@H]3CO)ccc21 ZINC001159678865 938744588 /nfs/dbraw/zinc/74/45/88/938744588.db2.gz RIBQLQFWJZKFFJ-JOYOIKCWSA-N 1 0 288.307 1.135 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1Nc1ccc(C[NH3+])nc1 ZINC001160402294 938784700 /nfs/dbraw/zinc/78/47/00/938784700.db2.gz NHUKULKJRSAVDW-UHFFFAOYSA-N 1 0 260.257 1.169 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1ccc2cccc(C[NH3+])c21 ZINC001160460276 938788412 /nfs/dbraw/zinc/78/84/12/938788412.db2.gz AUZUNKXLGOUTMW-UHFFFAOYSA-N 1 0 298.302 1.939 20 5 CDBDRO C[C@@]1([NH3+])C[C@H](Nc2nc(Cl)nc(Cl)c2[N+](=O)[O-])C1 ZINC001162328030 939024214 /nfs/dbraw/zinc/02/42/14/939024214.db2.gz FZLAKBQIIFLCRX-BOCCDJDJSA-N 1 0 292.126 1.983 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001162681187 939114403 /nfs/dbraw/zinc/11/44/03/939114403.db2.gz WREKUGHBKZUZHU-VXNVDRBHSA-N 1 0 276.296 1.001 20 5 CDBDRO CCOc1nc(NC[C@@H]2CC[NH2+]C[C@@H]2F)ccc1[N+](=O)[O-] ZINC001162804929 939146853 /nfs/dbraw/zinc/14/68/53/939146853.db2.gz ANFSGBPLPTVMTF-UWVGGRQHSA-N 1 0 298.318 1.748 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ncc1N[C@H]1COCCC12C[NH2+]C2 ZINC001163068235 939189666 /nfs/dbraw/zinc/18/96/66/939189666.db2.gz HFJHNAWCYOUSST-JTQLQIEISA-N 1 0 298.730 1.434 20 5 CDBDRO CC(C)N(CCC[NH3+])c1ccc2ncc([N+](=O)[O-])n2c1 ZINC001164122729 939413307 /nfs/dbraw/zinc/41/33/07/939413307.db2.gz NJKCQWCBUYQJCE-UHFFFAOYSA-N 1 0 277.328 1.806 20 5 CDBDRO [NH3+][C@H]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001164281770 939445612 /nfs/dbraw/zinc/44/56/12/939445612.db2.gz MQZSYZOUQFYDAH-LURJTMIESA-N 1 0 276.218 1.546 20 5 CDBDRO C[C@H]1CC[C@@H](C[NH3+])CN1c1ncc([N+](=O)[O-])cc1N ZINC001164467066 939476333 /nfs/dbraw/zinc/47/63/33/939476333.db2.gz DJCGHCRZWHGQAB-IUCAKERBSA-N 1 0 265.317 1.136 20 5 CDBDRO COc1nc(N2CC[NH+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC001165087873 939508192 /nfs/dbraw/zinc/50/81/92/939508192.db2.gz JMMDURBZAXHKGQ-UHFFFAOYSA-N 1 0 294.355 1.919 20 5 CDBDRO C[NH+](C)C1(C)CN(c2cc(Cl)cc([N+](=O)[O-])n2)C1 ZINC001165117308 939511733 /nfs/dbraw/zinc/51/17/33/939511733.db2.gz DSMMYBALDLYTAR-UHFFFAOYSA-N 1 0 270.720 1.784 20 5 CDBDRO Cc1cnc(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001165181151 939520960 /nfs/dbraw/zinc/52/09/60/939520960.db2.gz KOPVWKWCPAZTAI-FZMZJTMJSA-N 1 0 276.340 1.686 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)c1 ZINC001165269080 939537195 /nfs/dbraw/zinc/53/71/95/939537195.db2.gz CJMWASWWZYUBGH-UWVGGRQHSA-N 1 0 298.730 1.210 20 5 CDBDRO [NH3+][C@@]12C[C@@H]1CCN(c1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC001165325221 939545350 /nfs/dbraw/zinc/54/53/50/939545350.db2.gz TXEJAIRMNXZOSY-WRWORJQWSA-N 1 0 268.704 1.571 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1N1CCCCC12CC[NH2+]CC2 ZINC001165338817 939548287 /nfs/dbraw/zinc/54/82/87/939548287.db2.gz HDZYOJPZALRFEW-UHFFFAOYSA-N 1 0 291.355 1.685 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)n1 ZINC001165383252 939554008 /nfs/dbraw/zinc/55/40/08/939554008.db2.gz SRWZFPLXUFIELG-SRSLHRDFSA-N 1 0 268.704 1.345 20 5 CDBDRO COc1cc(N(C)C[C@@H]2CC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001166956108 939659115 /nfs/dbraw/zinc/65/91/15/939659115.db2.gz WUQKADOSIAGHSX-SECBINFHSA-N 1 0 266.301 1.044 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCc1nc2ccccc2[nH]c1=O ZINC001211361875 940750655 /nfs/dbraw/zinc/75/06/55/940750655.db2.gz XIZMTYBXDHIZSH-LLVKDONJSA-O 1 0 276.360 1.947 20 5 CDBDRO CC(=O)c1cc(O[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001218182891 941042971 /nfs/dbraw/zinc/04/29/71/941042971.db2.gz FSBBSKGVNUQTTE-JTQLQIEISA-N 1 0 250.254 1.538 20 5 CDBDRO COC(=O)c1c(O[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC001218283429 941050997 /nfs/dbraw/zinc/05/09/97/941050997.db2.gz HEINZRWWGAKFJI-VIFPVBQESA-N 1 0 280.280 1.512 20 5 CDBDRO COC(=O)c1cc(O[C@@H]2CCC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC001218283791 941051072 /nfs/dbraw/zinc/05/10/72/941051072.db2.gz NQMXBNPAGHTYEJ-MRVPVSSYSA-N 1 0 298.270 1.651 20 5 CDBDRO Nc1ccc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)cc1[N+](=O)[O-] ZINC001218463430 941220532 /nfs/dbraw/zinc/22/05/32/941220532.db2.gz HPKVALJFOFCOSV-ZDSQKVDBSA-N 1 0 263.297 1.554 20 5 CDBDRO COc1ccc(CO[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001223651164 941689765 /nfs/dbraw/zinc/68/97/65/941689765.db2.gz SKLIGGZGIVVHMR-LLVKDONJSA-N 1 0 266.297 1.824 20 5 CDBDRO C[NH+]1CCC(OCc2ccc([N+](=O)[O-])nc2)CC1 ZINC001224109110 941721079 /nfs/dbraw/zinc/72/10/79/941721079.db2.gz NTNJGQDDAZGWAL-UHFFFAOYSA-N 1 0 251.286 1.601 20 5 CDBDRO COc1ccccc1NC(=O)CO[C@H](C)C[N+](C)(C)C ZINC001224459609 941757349 /nfs/dbraw/zinc/75/73/49/941757349.db2.gz HQFWXPCOLDMPJG-GFCCVEGCSA-O 1 0 281.376 1.745 20 5 CDBDRO CCOC(=O)[C@@H]1CCCC[C@H]1OCC[N+](C)(C)C ZINC001224772575 941790292 /nfs/dbraw/zinc/79/02/92/941790292.db2.gz ANCPSFRAEQGJFV-CHWSQXEVSA-N 1 0 258.382 1.831 20 5 CDBDRO COC1CCC(COC(=O)C[C@@H](O)C[N+](C)(C)C)CC1 ZINC001224844126 941798206 /nfs/dbraw/zinc/79/82/06/941798206.db2.gz UFSOLKPZTXGNMA-ROKHWSDSSA-N 1 0 288.408 1.192 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(-n2cnnn2)cc1 ZINC001225484509 941867124 /nfs/dbraw/zinc/86/71/24/941867124.db2.gz JIEZARNZWRGSTK-LLVKDONJSA-N 1 0 262.337 1.136 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC001225659713 941895373 /nfs/dbraw/zinc/89/53/73/941895373.db2.gz VFYJKBIIRZSQPS-LLVKDONJSA-N 1 0 281.312 1.398 20 5 CDBDRO COC(=O)c1cccc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001225679472 941899282 /nfs/dbraw/zinc/89/92/82/941899282.db2.gz URFDLCSZJFGZGZ-NSHDSACASA-N 1 0 252.334 1.947 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2ccccc2s1 ZINC001225693668 941900802 /nfs/dbraw/zinc/90/08/02/941900802.db2.gz YADCUEJVXUBPPR-SNVBAGLBSA-N 1 0 295.384 1.659 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(C(F)(F)F)n(C)n1 ZINC001226241932 941972868 /nfs/dbraw/zinc/97/28/68/941972868.db2.gz HKSBCFPFZVWPOX-QMMMGPOBSA-N 1 0 266.287 1.912 20 5 CDBDRO CC(C)(C)N1CC(Oc2ccc([N+](=O)[O-])nc2)C1 ZINC001226709432 942054581 /nfs/dbraw/zinc/05/45/81/942054581.db2.gz IIMGITFZXYDVCO-UHFFFAOYSA-N 1 0 251.286 1.851 20 5 CDBDRO Cc1cnc(O[C@H](C)C[N+](C)(C)C)c([N+](=O)[O-])c1 ZINC001227236778 942154554 /nfs/dbraw/zinc/15/45/54/942154554.db2.gz JYONPIQBMYMSOX-SNVBAGLBSA-N 1 0 254.310 1.772 20 5 CDBDRO COC(=O)c1sc([N+](=O)[O-])cc1O[C@@H](C)C[NH+](C)C ZINC001227541909 942186045 /nfs/dbraw/zinc/18/60/45/942186045.db2.gz QJKMEEOOEQLUPC-ZETCQYMHSA-N 1 0 288.325 1.772 20 5 CDBDRO COC(=O)c1c(O[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC001229043767 942411584 /nfs/dbraw/zinc/41/15/84/942411584.db2.gz BBBHPROGIBKKAY-JTQLQIEISA-N 1 0 294.307 1.854 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(c1)CC(=O)O2 ZINC001229228316 942436827 /nfs/dbraw/zinc/43/68/27/942436827.db2.gz HGOGXMFZKQMOHK-JTQLQIEISA-N 1 0 250.318 1.622 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(=O)[nH]c2cccnc21 ZINC001229503466 942483876 /nfs/dbraw/zinc/48/38/76/942483876.db2.gz YVUSLHCFCQRYNL-JTQLQIEISA-O 1 0 262.333 1.809 20 5 CDBDRO C[C@@H](C[NH+](C)C)Oc1ccc(Cl)nc1[N+](=O)[O-] ZINC001230878615 942718133 /nfs/dbraw/zinc/71/81/33/942718133.db2.gz GRPYAVZUFIQTDS-ZETCQYMHSA-N 1 0 259.693 1.972 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2cccc([N+](=O)[O-])c2[N+](=O)[O-])C1 ZINC001233573701 943620085 /nfs/dbraw/zinc/62/00/85/943620085.db2.gz UQTXFKDZHWLNLO-MRVPVSSYSA-N 1 0 267.241 1.586 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(F)c(F)cc1O ZINC001233974951 943704933 /nfs/dbraw/zinc/70/49/33/943704933.db2.gz NDOHCPUWOSNVHG-MRVPVSSYSA-O 1 0 290.286 1.033 20 5 CDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC001261259782 946023574 /nfs/dbraw/zinc/02/35/74/946023574.db2.gz RWPRIABXEDCQOZ-LBPRGKRZSA-N 1 0 285.388 1.765 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccns2)c1 ZINC001262559089 946707217 /nfs/dbraw/zinc/70/72/17/946707217.db2.gz ZMNAHVWKAYGNTP-GFCCVEGCSA-N 1 0 279.321 1.875 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC(=O)NC1 ZINC001254537909 947515818 /nfs/dbraw/zinc/51/58/18/947515818.db2.gz JPWVBFCXWLNMGQ-NWDGAFQWSA-N 1 0 291.351 1.642 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCOC1=O ZINC001254538824 947516416 /nfs/dbraw/zinc/51/64/16/947516416.db2.gz CDPOLLBSLSSOSD-NSHDSACASA-N 1 0 293.323 1.568 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CNC(=O)O1 ZINC001254550492 947520291 /nfs/dbraw/zinc/52/02/91/947520291.db2.gz KTESMWWOHUTPIA-GXSJLCMTSA-N 1 0 279.296 1.224 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](C)(O)C1 ZINC001254553837 947523939 /nfs/dbraw/zinc/52/39/39/947523939.db2.gz ZQIUUIKSIBOBNI-SMDDNHRTSA-N 1 0 264.325 1.983 20 5 CDBDRO Cc1cnc(CC[NH3+])n1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573002 947533129 /nfs/dbraw/zinc/53/31/29/947533129.db2.gz VEPUOILUHWWXFN-AWEZNQCLSA-N 1 0 286.335 1.941 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCCOC1)C2 ZINC001254572669 947533175 /nfs/dbraw/zinc/53/31/75/947533175.db2.gz ROENCNLDKPLOET-QWHCGFSZSA-N 1 0 262.309 1.831 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCC1OCCO1)C2 ZINC001254576375 947535951 /nfs/dbraw/zinc/53/59/51/947535951.db2.gz VZEIGQVGVNDGTR-GFCCVEGCSA-N 1 0 278.308 1.415 20 5 CDBDRO CS(=O)(=O)CCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254576938 947536093 /nfs/dbraw/zinc/53/60/93/947536093.db2.gz AZSYWERISVCDBJ-LBPRGKRZSA-N 1 0 298.364 1.086 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](n1ncc3c1CC[NH2+]C3)C2 ZINC001254595022 947544988 /nfs/dbraw/zinc/54/49/88/947544988.db2.gz UWCADAQTNYDCQW-AWEZNQCLSA-N 1 0 284.319 1.777 20 5 CDBDRO C[C@@H]1CC[C@H](CN)[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246568272 948289990 /nfs/dbraw/zinc/28/99/90/948289990.db2.gz MSMKVHCPTGLJOA-MROQNXINSA-N 1 0 255.362 1.491 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](C(C)(C)C)CC1 ZINC001248746000 949122366 /nfs/dbraw/zinc/12/23/66/949122366.db2.gz DHLVYLNSIPMEFD-UHFFFAOYSA-N 1 0 267.333 1.249 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH2+]CC1 ZINC001326039916 954194614 /nfs/dbraw/zinc/19/46/14/954194614.db2.gz VEWFUGDUDGQVSI-UHFFFAOYSA-N 1 0 292.339 1.366 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001327614868 954961009 /nfs/dbraw/zinc/96/10/09/954961009.db2.gz AHBWYBZRVPLHRX-JTQLQIEISA-N 1 0 262.313 1.369 20 5 CDBDRO C[C@@]12CSC[C@@H]1C[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC001308133598 956473943 /nfs/dbraw/zinc/47/39/43/956473943.db2.gz IRKGBCOVFRMXFG-CMPLNLGQSA-N 1 0 282.369 1.476 20 5 CDBDRO Cc1ccc(NC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC001330701429 956577235 /nfs/dbraw/zinc/57/72/35/956577235.db2.gz KWZPIBJGNISNRD-PTOFAABTSA-N 1 0 261.281 1.450 20 5 CDBDRO Cc1cc(-c2noc(C3(C)C[NH2+]C3)n2)cc([N+](=O)[O-])c1 ZINC001332009203 957396880 /nfs/dbraw/zinc/39/68/80/957396880.db2.gz FONQZPBDFGJGAK-UHFFFAOYSA-N 1 0 274.280 1.814 20 5 CDBDRO C[N@H+](CC[N+](=O)[O-])[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC001332920905 957943307 /nfs/dbraw/zinc/94/33/07/957943307.db2.gz CQUPQFSHUXRWRM-LLVKDONJSA-N 1 0 287.360 1.498 20 5 CDBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC001318415423 958091231 /nfs/dbraw/zinc/09/12/31/958091231.db2.gz VEHUOGYBPVHMQL-VHSXEESVSA-N 1 0 281.312 1.790 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NC[C@H](C)C[NH+]1CCCC1 ZINC001322480669 960235126 /nfs/dbraw/zinc/23/51/26/960235126.db2.gz VSZXWMKZJJZJFT-NSHDSACASA-N 1 0 278.356 1.864 20 5 CDBDRO CC[N@H+](CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001322892205 960356855 /nfs/dbraw/zinc/35/68/55/960356855.db2.gz DWDAMPUXIUXPRS-UHFFFAOYSA-N 1 0 289.335 1.921 20 5 CDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001336542616 960388420 /nfs/dbraw/zinc/38/84/20/960388420.db2.gz IODIDOKADGPWAN-KWQFWETISA-N 1 0 277.328 1.467 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)cc([N+](=O)[O-])c1 ZINC001336628513 960428831 /nfs/dbraw/zinc/42/88/31/960428831.db2.gz MJNXDBAAQOYERE-CQSZACIVSA-N 1 0 289.335 1.727 20 5 CDBDRO NC(=O)COC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001324383269 961345097 /nfs/dbraw/zinc/34/50/97/961345097.db2.gz DWXXVKDFLOBBEC-UHFFFAOYSA-N 1 0 293.323 1.061 20 5 CDBDRO C[C@@H](c1nnc(N(C)CC[NH+]2CCCCC2)n1C)[N+](=O)[O-] ZINC001338210466 961691602 /nfs/dbraw/zinc/69/16/02/961691602.db2.gz RLQDVWZXSQKFGI-NSHDSACASA-N 1 0 296.375 1.075 20 5 CDBDRO C[C@H](Nc1ccnc(F)c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001339815415 962554847 /nfs/dbraw/zinc/55/48/47/962554847.db2.gz MNANUWHJJVYHFQ-ONGXEEELSA-N 1 0 297.334 1.175 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001341110488 963278299 /nfs/dbraw/zinc/27/82/99/963278299.db2.gz WOPWBZYXZAJAPZ-OPRDCNLKSA-N 1 0 265.313 1.755 20 5 CDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001342391371 963727901 /nfs/dbraw/zinc/72/79/01/963727901.db2.gz DVAGLSQVVFCWQE-WVSHTKLVSA-N 1 0 295.314 1.520 20 5 CDBDRO Cc1c(C(=O)OC[C@@H](C)[N+](=O)[O-])ccc2c[nH+]cn21 ZINC001343372384 963962384 /nfs/dbraw/zinc/96/23/84/963962384.db2.gz YHNILQAGJPICAU-MRVPVSSYSA-N 1 0 263.253 1.465 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC001345810053 964823288 /nfs/dbraw/zinc/82/32/88/964823288.db2.gz OFLVHPLBVRVALS-JOYOIKCWSA-N 1 0 292.339 1.446 20 5 CDBDRO O=C(CC1CC[NH2+]CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001346027802 964893890 /nfs/dbraw/zinc/89/38/90/964893890.db2.gz ALBTVINVMSKZLY-UHFFFAOYSA-N 1 0 289.335 1.827 20 5 CDBDRO C[NH+](C)C[C@@H](NCC[N+](=O)[O-])c1ccc(F)cc1 ZINC001346180637 964973022 /nfs/dbraw/zinc/97/30/22/964973022.db2.gz NJAOSZRAGLNJBA-GFCCVEGCSA-N 1 0 255.293 1.295 20 5 CDBDRO O=[N+]([O-])c1ccccc1Cc1noc(CC[NH2+]C2CC2)n1 ZINC000848617998 969204111 /nfs/dbraw/zinc/20/41/11/969204111.db2.gz OWNQMRIURBXGLI-UHFFFAOYSA-N 1 0 288.307 1.863 20 5 CDBDRO CO[C@@]1(C)C[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001357260477 969560876 /nfs/dbraw/zinc/56/08/76/969560876.db2.gz PKQBKKJLGYKBEG-OCCSQVGLSA-N 1 0 293.323 1.690 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001515986014 969925173 /nfs/dbraw/zinc/92/51/73/969925173.db2.gz BJMJNDHPIRJHHU-SWLSCSKDSA-N 1 0 292.383 1.949 20 5 CDBDRO C[C@]1(C(=O)OCc2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC001573606132 1170704745 /nfs/dbraw/zinc/70/47/45/1170704745.db2.gz LMWDUVSUMIUAOI-ZDUSSCGKSA-N 1 0 264.281 1.638 20 5 CDBDRO CN(C(=O)[C@@H]([NH3+])C(C)(C)C)c1ccc([N+](=O)[O-])nc1 ZINC001573851679 1170804444 /nfs/dbraw/zinc/80/44/44/1170804444.db2.gz XWJQMTHMHZPRCW-SNVBAGLBSA-N 1 0 266.301 1.326 20 5 CDBDRO CC1(C)CCC[NH2+][C@H]1C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001576440501 1171422356 /nfs/dbraw/zinc/42/23/56/1171422356.db2.gz XKKQQEKQQZTKSO-VIFPVBQESA-N 1 0 267.289 1.035 20 5 CDBDRO COc1ccc([C@H](C[NH3+])Cn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000564926091 365533690 /nfs/dbraw/zinc/53/36/90/365533690.db2.gz FQYRYBXYOVGJEL-GFCCVEGCSA-N 1 0 290.323 1.851 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000601330038 342554758 /nfs/dbraw/zinc/55/47/58/342554758.db2.gz PHCPGRNLKCMZBK-MNOVXSKESA-N 1 0 265.313 1.395 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000608905320 342084186 /nfs/dbraw/zinc/08/41/86/342084186.db2.gz CCVOCIJDKQAFAS-JTQLQIEISA-N 1 0 278.312 1.233 20 5 CDBDRO COc1ccc(C[NH2+][C@H](C)Cn2cncn2)cc1[N+](=O)[O-] ZINC000609287704 342100293 /nfs/dbraw/zinc/10/02/93/342100293.db2.gz UWCLCTYSMQZGLH-SNVBAGLBSA-N 1 0 291.311 1.373 20 5 CDBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ncc([N+](=O)[O-])cc1F ZINC000591147232 342618480 /nfs/dbraw/zinc/61/84/80/342618480.db2.gz YMGLWJCJJOWABL-JTQLQIEISA-N 1 0 282.319 1.907 20 5 CDBDRO COc1cc(N2CC[C@H]3CC[NH2+][C@H]3C2)ccc1[N+](=O)[O-] ZINC000591438614 342632023 /nfs/dbraw/zinc/63/20/23/342632023.db2.gz NVCAXFARBIXVSW-PWSUYJOCSA-N 1 0 277.324 1.792 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)NC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000591354624 342627361 /nfs/dbraw/zinc/62/73/61/342627361.db2.gz FYDQQUMARPOQEP-ZJUUUORDSA-N 1 0 280.328 1.611 20 5 CDBDRO COc1ccc(CN2CC[C@@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000591448700 342632899 /nfs/dbraw/zinc/63/28/99/342632899.db2.gz OMQZLESXIWRGMZ-STQMWFEESA-N 1 0 291.351 1.787 20 5 CDBDRO CN(CCC[NH3+])C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000592299112 342684152 /nfs/dbraw/zinc/68/41/52/342684152.db2.gz UTMILCITYLIPLU-UHFFFAOYSA-N 1 0 294.355 1.594 20 5 CDBDRO CC1([NH3+])CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000592331514 342685525 /nfs/dbraw/zinc/68/55/25/342685525.db2.gz SOJRYHMZUPIMNV-UHFFFAOYSA-N 1 0 263.297 1.548 20 5 CDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[NH3+] ZINC000592333484 342685565 /nfs/dbraw/zinc/68/55/65/342685565.db2.gz HRWHSBXFMJWFHR-MRVPVSSYSA-N 1 0 283.353 1.784 20 5 CDBDRO O=c1c(Cl)cc([N+](=O)[O-])cn1C[C@H]1CC[NH2+]C1 ZINC000592161055 342670710 /nfs/dbraw/zinc/67/07/10/342670710.db2.gz NVEDLUBNMWSNEW-ZETCQYMHSA-N 1 0 257.677 1.019 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000592466501 342697572 /nfs/dbraw/zinc/69/75/72/342697572.db2.gz KZWXFDXLHHWAJJ-SECBINFHSA-N 1 0 278.312 1.049 20 5 CDBDRO CNc1ccc(C(=O)N2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000592472613 342698420 /nfs/dbraw/zinc/69/84/20/342698420.db2.gz JTTOFLKHRPLVFZ-UHFFFAOYSA-N 1 0 292.339 1.461 20 5 CDBDRO C[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CO1 ZINC000592514088 342700650 /nfs/dbraw/zinc/70/06/50/342700650.db2.gz UOMHNUPVGWHMOT-BDAKNGLRSA-N 1 0 276.296 1.738 20 5 CDBDRO Cc1cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000593503922 342808863 /nfs/dbraw/zinc/80/88/63/342808863.db2.gz MNOPKZQFIWAYMO-CYBMUJFWSA-N 1 0 277.324 1.158 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593708458 342825330 /nfs/dbraw/zinc/82/53/30/342825330.db2.gz XERQCJCNVYYUTB-VIFPVBQESA-N 1 0 283.303 1.343 20 5 CDBDRO O=C(NCCC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000593918181 342851157 /nfs/dbraw/zinc/85/11/57/342851157.db2.gz BREMNGKKDMEUOY-UHFFFAOYSA-N 1 0 277.324 1.714 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](N)CC[NH+](C)C ZINC000593902599 342853825 /nfs/dbraw/zinc/85/38/25/342853825.db2.gz BHKCGNICJAROAY-NSHDSACASA-N 1 0 280.328 1.121 20 5 CDBDRO O=C1CCC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])N1 ZINC000594503987 342914316 /nfs/dbraw/zinc/91/43/16/342914316.db2.gz LCWGXDSZMXCTCP-GXFFZTMASA-N 1 0 289.335 1.840 20 5 CDBDRO C[C@]1(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000125641900 187194442 /nfs/dbraw/zinc/19/44/42/187194442.db2.gz ZZCUYOCYASMTSW-AWEZNQCLSA-N 1 0 295.314 1.853 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000050225470 342285828 /nfs/dbraw/zinc/28/58/28/342285828.db2.gz BACUMCPFNQKBHV-LLVKDONJSA-N 1 0 296.352 1.312 20 5 CDBDRO Nc1nc(SCC[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000594900962 342970946 /nfs/dbraw/zinc/97/09/46/342970946.db2.gz OFZAPVNXGINXFJ-UHFFFAOYSA-N 1 0 283.357 1.375 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](O)C[NH+](C)C ZINC000595019574 342996044 /nfs/dbraw/zinc/99/60/44/342996044.db2.gz RJUUKHFFNICSER-ZYHUDNBSSA-N 1 0 297.355 1.177 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595049724 342999825 /nfs/dbraw/zinc/99/98/25/342999825.db2.gz DBMHKAANBCWSLD-VHSXEESVSA-N 1 0 295.339 1.779 20 5 CDBDRO CO[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000595069714 343002308 /nfs/dbraw/zinc/00/23/08/343002308.db2.gz QZAXRXJQPRVSLV-QJPTWQEYSA-N 1 0 282.344 1.900 20 5 CDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H](O)C1 ZINC000595105070 343004359 /nfs/dbraw/zinc/00/43/59/343004359.db2.gz WQPGIGAECHEKQC-IRUJWGPZSA-N 1 0 293.323 1.425 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595260770 343014248 /nfs/dbraw/zinc/01/42/48/343014248.db2.gz KTNLLNTZJOLFCF-VXGBXAGGSA-N 1 0 295.314 1.723 20 5 CDBDRO Cc1noc(CN2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000595318000 343034265 /nfs/dbraw/zinc/03/42/65/343034265.db2.gz JNTCHPSGTPWJCG-UHFFFAOYSA-N 1 0 280.328 1.561 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595415752 343054257 /nfs/dbraw/zinc/05/42/57/343054257.db2.gz SHTZSOZDWKDLNU-SWLSCSKDSA-N 1 0 295.383 1.947 20 5 CDBDRO Cn1c(C(=O)NCCCC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000457205514 365706521 /nfs/dbraw/zinc/70/65/21/365706521.db2.gz RLVVJXVTSJIEPQ-UHFFFAOYSA-N 1 0 294.355 1.538 20 5 CDBDRO CC[NH+](CC)C[C@H]1CCN(c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000078559695 342338358 /nfs/dbraw/zinc/33/83/58/342338358.db2.gz AGUXWVVVFVQWIS-GFCCVEGCSA-N 1 0 295.387 1.805 20 5 CDBDRO Cc1noc(C[N@H+]2CCC[C@H](C)[C@H]2CCO)c1[N+](=O)[O-] ZINC000595690137 343132735 /nfs/dbraw/zinc/13/27/35/343132735.db2.gz VNLVNNPJLMAKJK-GXSJLCMTSA-N 1 0 283.328 1.874 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000595921984 343192178 /nfs/dbraw/zinc/19/21/78/343192178.db2.gz MDWJTVCVURBHEZ-JTQLQIEISA-N 1 0 280.328 1.121 20 5 CDBDRO C[NH2+]C[C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000596103121 343227605 /nfs/dbraw/zinc/22/76/05/343227605.db2.gz AKDRDLFYZIUNAY-QMMMGPOBSA-N 1 0 257.721 1.946 20 5 CDBDRO C[C@@H]1C[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000596157372 343254848 /nfs/dbraw/zinc/25/48/48/343254848.db2.gz YRJZISOZHRMALQ-RKDXNWHRSA-N 1 0 278.312 1.733 20 5 CDBDRO Cc1c(NC(=O)N[C@@]2(C)CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000596120695 343247746 /nfs/dbraw/zinc/24/77/46/343247746.db2.gz KTVPPYZDLPGOBJ-ZDUSSCGKSA-N 1 0 278.312 1.777 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107571462 342382699 /nfs/dbraw/zinc/38/26/99/342382699.db2.gz FDXLQSPFDTWERI-IUCAKERBSA-N 1 0 251.261 1.390 20 5 CDBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000596489876 343330021 /nfs/dbraw/zinc/33/00/21/343330021.db2.gz XGOWBBLZRMAPME-SNVBAGLBSA-N 1 0 294.359 1.330 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000088718594 342387071 /nfs/dbraw/zinc/38/70/71/342387071.db2.gz VOFOJRFGNFXJOQ-ZDUSSCGKSA-N 1 0 292.383 1.951 20 5 CDBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCC(O)CC2)cc1 ZINC000091454566 342403619 /nfs/dbraw/zinc/40/36/19/342403619.db2.gz DPHRKWVPNMAKNY-UHFFFAOYSA-N 1 0 279.340 1.854 20 5 CDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000209376494 342438536 /nfs/dbraw/zinc/43/85/36/342438536.db2.gz UNMDHZFTJFNOAT-GUQLZWLHSA-N 1 0 287.319 1.428 20 5 CDBDRO C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000111784337 365744600 /nfs/dbraw/zinc/74/46/00/365744600.db2.gz DSQQIWUAZCZFLF-GHMZBOCLSA-N 1 0 292.339 1.216 20 5 CDBDRO CCCc1n[nH]c(C(=O)NCC[C@@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000597994545 343684033 /nfs/dbraw/zinc/68/40/33/343684033.db2.gz ZXHWDGSKNOYVJK-SECBINFHSA-N 1 0 297.359 1.340 20 5 CDBDRO C[C@H](CO)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000619705825 349860566 /nfs/dbraw/zinc/86/05/66/349860566.db2.gz TVAIDJCYZHOKOO-JTQLQIEISA-N 1 0 281.312 1.141 20 5 CDBDRO COC(=O)c1ccnc(NC[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000598627926 343847963 /nfs/dbraw/zinc/84/79/63/343847963.db2.gz WCDZAFVTCCCILP-SECBINFHSA-N 1 0 296.327 1.386 20 5 CDBDRO CC(C)([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598914370 343919516 /nfs/dbraw/zinc/91/95/16/343919516.db2.gz BOLMRDBTFUJXJP-UHFFFAOYSA-N 1 0 270.264 1.593 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000598915809 343920087 /nfs/dbraw/zinc/92/00/87/343920087.db2.gz PKRIMEBFAVJTQC-RKDXNWHRSA-N 1 0 296.302 1.996 20 5 CDBDRO C[C@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000602133286 344345419 /nfs/dbraw/zinc/34/54/19/344345419.db2.gz SPBCQTMKQYLDJS-SNVBAGLBSA-N 1 0 265.313 1.204 20 5 CDBDRO CC[NH2+][C@H](C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000602444620 344431790 /nfs/dbraw/zinc/43/17/90/344431790.db2.gz JOHAYKFSMNILBA-SNVBAGLBSA-N 1 0 265.313 1.252 20 5 CDBDRO CC[NH2+][C@@H](C)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000602436896 344416218 /nfs/dbraw/zinc/41/62/18/344416218.db2.gz AFPCDZYWMPXQNC-JTQLQIEISA-N 1 0 280.328 1.121 20 5 CDBDRO CC[NH2+][C@@H](C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000602442276 344418230 /nfs/dbraw/zinc/41/82/30/344418230.db2.gz KEBSHBPPWJOOBA-ZJUUUORDSA-N 1 0 265.313 1.770 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602598426 344503739 /nfs/dbraw/zinc/50/37/39/344503739.db2.gz JKVIINKMCSKTKG-JOCQHMNTSA-N 1 0 291.351 1.771 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000602599494 344504533 /nfs/dbraw/zinc/50/45/33/344504533.db2.gz QLKBHURHINJGPS-AULYBMBSSA-N 1 0 291.351 1.771 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000602590911 344480006 /nfs/dbraw/zinc/48/00/06/344480006.db2.gz KYDQCWITOWCHSZ-TXEJJXNPSA-N 1 0 275.308 1.480 20 5 CDBDRO C[C@@H](C[NH+](C)C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602657068 344518957 /nfs/dbraw/zinc/51/89/57/344518957.db2.gz WDRFWFUXIFCJDA-VIFPVBQESA-N 1 0 278.312 1.776 20 5 CDBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602780777 344596376 /nfs/dbraw/zinc/59/63/76/344596376.db2.gz RTIOFZZNQLDDEM-QWHCGFSZSA-N 1 0 296.371 1.725 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCc1cnccn1 ZINC000602796405 344587266 /nfs/dbraw/zinc/58/72/66/344587266.db2.gz GEVWTSMDTLLNHJ-UHFFFAOYSA-N 1 0 290.327 1.064 20 5 CDBDRO C[C@@H]1OCC[C@H]1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000602819621 344609414 /nfs/dbraw/zinc/60/94/14/344609414.db2.gz UDQOOZYXJHSSMD-RYUDHWBXSA-N 1 0 294.355 1.853 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC2(CCC2)C1 ZINC000602788841 344601235 /nfs/dbraw/zinc/60/12/35/344601235.db2.gz RWNVODGTYDUTMM-UHFFFAOYSA-N 1 0 264.329 1.976 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000602838935 344620705 /nfs/dbraw/zinc/62/07/05/344620705.db2.gz CNSDXJKCGSBGPJ-RAIGVLPGSA-N 1 0 294.355 1.503 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3C[NH2+]C[C@@H]32)c2ccncc21 ZINC000209506742 344724343 /nfs/dbraw/zinc/72/43/43/344724343.db2.gz SCTZCGDIQYEKAT-BMIGLBTASA-N 1 0 284.319 1.941 20 5 CDBDRO O=[N+]([O-])c1cncc(Cl)c1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000302520278 344867335 /nfs/dbraw/zinc/86/73/35/344867335.db2.gz DOWHEUUMDWVQCP-KPCSLPGQSA-N 1 0 254.677 1.273 20 5 CDBDRO C[C@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CO1 ZINC000402350645 344947656 /nfs/dbraw/zinc/94/76/56/344947656.db2.gz ZKUUIBAINNYQCA-CMPLNLGQSA-N 1 0 250.298 1.904 20 5 CDBDRO C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159726047 362511345 /nfs/dbraw/zinc/51/13/45/362511345.db2.gz GMQWNAVPPVRSMH-LLVKDONJSA-N 1 0 265.313 1.488 20 5 CDBDRO COc1cc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000159825178 362534929 /nfs/dbraw/zinc/53/49/29/362534929.db2.gz IOXRHECVWSQGGS-LBPRGKRZSA-N 1 0 293.323 1.413 20 5 CDBDRO Cc1cc(C(=O)N(C)[C@H](C[NH3+])C2CC2)cc([N+](=O)[O-])c1 ZINC000159827149 362537010 /nfs/dbraw/zinc/53/70/10/362537010.db2.gz GWOOJCGLVKRYRG-CYBMUJFWSA-N 1 0 277.324 1.713 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H](O)C1CC1)OCCO2 ZINC000609620502 345979344 /nfs/dbraw/zinc/97/93/44/345979344.db2.gz GNLZSFTXSGMNIJ-GFCCVEGCSA-N 1 0 294.307 1.227 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000088147687 346013338 /nfs/dbraw/zinc/01/33/38/346013338.db2.gz IQOGHNFPCAQNFD-NSHDSACASA-N 1 0 277.324 1.775 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000212553812 346118873 /nfs/dbraw/zinc/11/88/73/346118873.db2.gz BJDSNBBMQMHUGV-PKJDGDQJSA-N 1 0 289.335 1.817 20 5 CDBDRO C[C@H](Nc1c([N+](=O)[O-])ncn1C)C(C)(C)C[NH+](C)C ZINC000610210855 346219220 /nfs/dbraw/zinc/21/92/20/346219220.db2.gz DKCKGPSMOYLNHJ-VIFPVBQESA-N 1 0 269.349 1.717 20 5 CDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCOC1 ZINC000610453357 346286691 /nfs/dbraw/zinc/28/66/91/346286691.db2.gz YLWSKIWFGGCTDJ-NSHDSACASA-N 1 0 268.317 1.150 20 5 CDBDRO COCCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000051424347 346317123 /nfs/dbraw/zinc/31/71/23/346317123.db2.gz MZSSZKWZGWFGKF-UHFFFAOYSA-N 1 0 280.328 1.148 20 5 CDBDRO C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C[NH2+]1 ZINC000086469314 362712434 /nfs/dbraw/zinc/71/24/34/362712434.db2.gz AHOWYZYMQWBRQJ-VXGBXAGGSA-N 1 0 263.341 1.820 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CCSC1)OCCO2 ZINC000611464393 346793339 /nfs/dbraw/zinc/79/33/39/346793339.db2.gz LFWYQCOASWWJIV-SNVBAGLBSA-N 1 0 296.348 1.961 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000066140098 347478822 /nfs/dbraw/zinc/47/88/22/347478822.db2.gz LQGUWLUVMYPBBT-QMMMGPOBSA-N 1 0 283.332 1.086 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[C@@H]1[NH3+] ZINC000122566801 347659142 /nfs/dbraw/zinc/65/91/42/347659142.db2.gz GLNWDSIZWKIRGC-KOLCDFICSA-N 1 0 280.328 1.133 20 5 CDBDRO CC(C)[C@@H]([NH3+])c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000312157684 347675827 /nfs/dbraw/zinc/67/58/27/347675827.db2.gz JHVKXHFJQGCPAD-CYBMUJFWSA-N 1 0 275.312 1.890 20 5 CDBDRO COc1c(C(=O)NC(C)(C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000457250456 365923486 /nfs/dbraw/zinc/92/34/86/365923486.db2.gz VETPQSMRDXCJKS-UHFFFAOYSA-N 1 0 295.339 1.673 20 5 CDBDRO COc1ccc(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000086467867 179299323 /nfs/dbraw/zinc/29/93/23/179299323.db2.gz PQSMLUVVHGSMFN-ZJUUUORDSA-N 1 0 293.323 1.426 20 5 CDBDRO Cc1nc(N2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000124130343 362882164 /nfs/dbraw/zinc/88/21/64/362882164.db2.gz DYDJQWSOUZGFAP-MWLCHTKSSA-N 1 0 264.329 1.862 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000057838670 348848158 /nfs/dbraw/zinc/84/81/58/348848158.db2.gz KERLIQUVGLEGES-LLVKDONJSA-N 1 0 250.302 1.520 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000067614212 349029969 /nfs/dbraw/zinc/02/99/69/349029969.db2.gz QOQQLZFAHIFFHA-UHFFFAOYSA-N 1 0 265.313 1.585 20 5 CDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCOC1 ZINC000090848182 180044027 /nfs/dbraw/zinc/04/40/27/180044027.db2.gz YYKNRWCKJCLAES-DOMZBBRYSA-N 1 0 294.351 1.657 20 5 CDBDRO Cc1ccc(NC(=O)C[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000091299195 180125890 /nfs/dbraw/zinc/12/58/90/180125890.db2.gz OFCNTQYSDOUKJY-NSHDSACASA-N 1 0 279.296 1.220 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000092133456 180331222 /nfs/dbraw/zinc/33/12/22/180331222.db2.gz HQTYULDFYDMTHA-SECBINFHSA-N 1 0 251.286 1.697 20 5 CDBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000105821581 186075027 /nfs/dbraw/zinc/07/50/27/186075027.db2.gz CEAFPOMDMKRMQQ-CHWSQXEVSA-N 1 0 293.367 1.482 20 5 CDBDRO COc1ccc(C[N@@H+]2CC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000051887783 362987492 /nfs/dbraw/zinc/98/74/92/362987492.db2.gz TWLOKDICSYTTJJ-LLVKDONJSA-N 1 0 266.297 1.418 20 5 CDBDRO CCC[C@H]([NH3+])C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353470897 363040112 /nfs/dbraw/zinc/04/01/12/363040112.db2.gz LLFLZAPSASRRLR-JTQLQIEISA-N 1 0 281.312 1.347 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000036793937 363050620 /nfs/dbraw/zinc/05/06/20/363050620.db2.gz JNSXDVZADBHNRN-ZJUUUORDSA-N 1 0 265.313 1.722 20 5 CDBDRO C[NH2+]CCS[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000516284697 363051040 /nfs/dbraw/zinc/05/10/40/363051040.db2.gz GYDIRTLWBBQDJP-SECBINFHSA-N 1 0 283.353 1.874 20 5 CDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000122202480 187020809 /nfs/dbraw/zinc/02/08/09/187020809.db2.gz WUTKFXMFSWSNSU-CYBMUJFWSA-N 1 0 265.313 1.698 20 5 CDBDRO COc1ccc(NC(=O)[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000136477730 363111342 /nfs/dbraw/zinc/11/13/42/363111342.db2.gz IBWQRVPHFNOUKN-AWEZNQCLSA-N 1 0 293.323 1.932 20 5 CDBDRO O=[N+]([O-])c1cnc2ccccc2c1NC[C@@H]1COCC[NH2+]1 ZINC000236411831 363159127 /nfs/dbraw/zinc/15/91/27/363159127.db2.gz PXPAUTIMRBQRNG-SNVBAGLBSA-N 1 0 288.307 1.543 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CCC[NH+]1CCCC1 ZINC000144162956 187912251 /nfs/dbraw/zinc/91/22/51/187912251.db2.gz XYFROZOCDLHXNL-UHFFFAOYSA-N 1 0 251.286 1.242 20 5 CDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C1 ZINC000052093068 363210191 /nfs/dbraw/zinc/21/01/91/363210191.db2.gz DVQREXAFNNXTPL-QRGHLMKCSA-N 1 0 261.281 1.086 20 5 CDBDRO COc1cc(C(=O)NCC[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000156695814 188277693 /nfs/dbraw/zinc/27/76/93/188277693.db2.gz XQLJNURAOSGWMB-QMMMGPOBSA-N 1 0 267.285 1.071 20 5 CDBDRO CNc1ccc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000516925436 363264625 /nfs/dbraw/zinc/26/46/25/363264625.db2.gz QAWMBZKCOFTSOP-GXSJLCMTSA-N 1 0 292.339 1.507 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([C@@H]3CCC[NH2+]3)CC2)cn1 ZINC000063201283 363400174 /nfs/dbraw/zinc/40/01/74/363400174.db2.gz BPCZBAYUDJYCIW-ZDUSSCGKSA-N 1 0 276.340 1.958 20 5 CDBDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000411931922 363382444 /nfs/dbraw/zinc/38/24/44/363382444.db2.gz IKTOZWABFVBOJE-LBPRGKRZSA-N 1 0 277.324 1.505 20 5 CDBDRO CCC[N@H+](CC)CCNC(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000175452871 356575666 /nfs/dbraw/zinc/57/56/66/356575666.db2.gz SIOYZJKFXZJFTE-UHFFFAOYSA-N 1 0 297.359 1.342 20 5 CDBDRO CC[NH+](CC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000046438261 357143399 /nfs/dbraw/zinc/14/33/99/357143399.db2.gz VEZGFLWQIFALCS-UHFFFAOYSA-N 1 0 281.312 1.884 20 5 CDBDRO C[NH+](C)CC(C)(C)CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341279881 357220631 /nfs/dbraw/zinc/22/06/31/357220631.db2.gz SYGQOUVXQZDVQG-UHFFFAOYSA-N 1 0 294.355 1.693 20 5 CDBDRO CCc1ccc(C(=O)N2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261996196 357352302 /nfs/dbraw/zinc/35/23/02/357352302.db2.gz NDZUMLWUIDIPDF-OAHLLOKOSA-N 1 0 291.351 1.968 20 5 CDBDRO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000365819090 357496933 /nfs/dbraw/zinc/49/69/33/357496933.db2.gz IJDHVBVWPSRBFR-CQSZACIVSA-N 1 0 262.309 1.942 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](CCO)c2ccco2)c1 ZINC000185066042 357505110 /nfs/dbraw/zinc/50/51/10/357505110.db2.gz CYKYWXUGAVWSHS-NSHDSACASA-N 1 0 280.284 1.098 20 5 CDBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000185187153 357519392 /nfs/dbraw/zinc/51/93/92/357519392.db2.gz LFBKGCJQFDMIPO-XQQFMLRXSA-N 1 0 289.335 1.333 20 5 CDBDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000185794867 357577418 /nfs/dbraw/zinc/57/74/18/357577418.db2.gz OBOVPEWPBBHVIN-GFCCVEGCSA-N 1 0 293.323 1.915 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000135212467 357770534 /nfs/dbraw/zinc/77/05/34/357770534.db2.gz PWKFMZBRIKNAHE-LBPRGKRZSA-N 1 0 291.351 1.975 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000135231313 357798928 /nfs/dbraw/zinc/79/89/28/357798928.db2.gz HWZIUMLDJHZHGJ-QMMMGPOBSA-N 1 0 267.260 1.168 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135238833 357802294 /nfs/dbraw/zinc/80/22/94/357802294.db2.gz OKQLRJQIATVVRD-KWQFWETISA-N 1 0 281.287 1.591 20 5 CDBDRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000361111727 357806600 /nfs/dbraw/zinc/80/66/00/357806600.db2.gz RWRDZIVOPXKTRC-GXSJLCMTSA-N 1 0 278.312 1.041 20 5 CDBDRO COCC[N@H+](C)CCCNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000189428808 358009928 /nfs/dbraw/zinc/00/99/28/358009928.db2.gz BNJBBHJKWKAAOE-UHFFFAOYSA-N 1 0 297.355 1.984 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000165835690 358167381 /nfs/dbraw/zinc/16/73/81/358167381.db2.gz MVSHYIFFUDWDJD-VXGBXAGGSA-N 1 0 281.287 1.734 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000193588574 358306084 /nfs/dbraw/zinc/30/60/84/358306084.db2.gz GUXKPZZPOJSDLQ-LDYMZIIASA-N 1 0 278.312 1.047 20 5 CDBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195225132 358420516 /nfs/dbraw/zinc/42/05/16/358420516.db2.gz NFEFANWYOCKBLQ-DTORHVGOSA-N 1 0 295.726 1.540 20 5 CDBDRO [NH3+][C@@H]1CC[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000150758075 358587602 /nfs/dbraw/zinc/58/76/02/358587602.db2.gz DSMCBLMNGOTCCF-WDEREUQCSA-N 1 0 292.339 1.250 20 5 CDBDRO CC(C)C[NH+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596055332 358655919 /nfs/dbraw/zinc/65/59/19/358655919.db2.gz WPIMJSPSNKUOSF-UHFFFAOYSA-N 1 0 280.328 1.473 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000567473717 358681205 /nfs/dbraw/zinc/68/12/05/358681205.db2.gz QWSNNDMJPUPDCX-YUMQZZPRSA-N 1 0 291.311 1.327 20 5 CDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCCC1 ZINC000072937354 359082439 /nfs/dbraw/zinc/08/24/39/359082439.db2.gz LQAFMOOKSIDVEG-UHFFFAOYSA-N 1 0 293.323 1.186 20 5 CDBDRO C[C@H](C[S@@](C)=O)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570175354 359289724 /nfs/dbraw/zinc/28/97/24/359289724.db2.gz IXCFWATWAGOZET-DPXNYUHVSA-N 1 0 282.365 1.939 20 5 CDBDRO C[C@H](CC[NH+](C)C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000049558744 359362177 /nfs/dbraw/zinc/36/21/77/359362177.db2.gz OVYMDRJIWJHQKD-SECBINFHSA-N 1 0 280.328 1.446 20 5 CDBDRO CC[C@@H]1CN(CC[NH2+]Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000487149695 359320683 /nfs/dbraw/zinc/32/06/83/359320683.db2.gz FZTJGABPAILJGK-CQSZACIVSA-N 1 0 293.367 1.795 20 5 CDBDRO CC[N@H+](CCC(=O)OC)Cc1ccccc1[N+](=O)[O-] ZINC000045914911 360041576 /nfs/dbraw/zinc/04/15/76/360041576.db2.gz ZEIWXNGFADGKDY-UHFFFAOYSA-N 1 0 266.297 1.980 20 5 CDBDRO CC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000054263114 360065236 /nfs/dbraw/zinc/06/52/36/360065236.db2.gz MPPSLCYBMJFWRK-UHFFFAOYSA-N 1 0 251.286 1.243 20 5 CDBDRO COc1cc(C(=O)NCC2=CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000169263399 360173893 /nfs/dbraw/zinc/17/38/93/360173893.db2.gz PUCDJGYVHXPACR-UHFFFAOYSA-N 1 0 291.307 1.253 20 5 CDBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1ccc(F)cc1[N+](=O)[O-] ZINC000166695951 360221811 /nfs/dbraw/zinc/22/18/11/360221811.db2.gz SFJFBMDJNJNGIS-SNVBAGLBSA-N 1 0 281.287 1.606 20 5 CDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](C2CCCC2)CC1 ZINC000369544680 360287964 /nfs/dbraw/zinc/28/79/64/360287964.db2.gz YSRQPXGCIBPYJK-CHWSQXEVSA-N 1 0 281.356 1.129 20 5 CDBDRO CC1(O)CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000177308049 189043169 /nfs/dbraw/zinc/04/31/69/189043169.db2.gz DLXCXRCANVTPHM-UHFFFAOYSA-N 1 0 280.324 1.820 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000111010163 283565993 /nfs/dbraw/zinc/56/59/93/283565993.db2.gz RURMYIXGORUZTJ-MRVPVSSYSA-N 1 0 283.715 1.812 20 5 CDBDRO CSc1ccc(C(=O)N2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000178567278 189127364 /nfs/dbraw/zinc/12/73/64/189127364.db2.gz DPGYCLCSKDZJOL-VIFPVBQESA-N 1 0 295.364 1.738 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCC[NH2+]C1CC1 ZINC000238067291 360718232 /nfs/dbraw/zinc/71/82/32/360718232.db2.gz BKWDDHSYVRJFLC-UHFFFAOYSA-N 1 0 277.324 1.396 20 5 CDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000238131628 360922665 /nfs/dbraw/zinc/92/26/65/360922665.db2.gz WWVMEVFXIDFFOW-UHFFFAOYSA-N 1 0 292.339 1.123 20 5 CDBDRO CCc1n[nH]c(C(=O)N2C[C@@H](C)N(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000408439670 361001256 /nfs/dbraw/zinc/00/12/56/361001256.db2.gz UDLRZBQAFBKKLN-RKDXNWHRSA-N 1 0 295.343 1.045 20 5 CDBDRO Cc1c(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000408461879 361145658 /nfs/dbraw/zinc/14/56/58/361145658.db2.gz BMAXSWZPKOWXAX-RISCZKNCSA-N 1 0 289.335 1.679 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000053202399 361203644 /nfs/dbraw/zinc/20/36/44/361203644.db2.gz GJOKTDKMUZZPJN-NSHDSACASA-N 1 0 277.324 1.727 20 5 CDBDRO Cc1nn(C)c(NCC[NH2+]C(C)(C)C)c1[N+](=O)[O-] ZINC000301268413 200958462 /nfs/dbraw/zinc/95/84/62/200958462.db2.gz IXENYDRYQQVIFD-UHFFFAOYSA-N 1 0 255.322 1.437 20 5 CDBDRO CC(C)[N@H+](C)CCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000277884110 361231278 /nfs/dbraw/zinc/23/12/78/361231278.db2.gz MVPVICXECVPEOF-UHFFFAOYSA-N 1 0 296.327 1.156 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000070076341 361237923 /nfs/dbraw/zinc/23/79/23/361237923.db2.gz LXDMDLMDYUXQPC-GHMZBOCLSA-N 1 0 277.324 1.726 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000070076380 361239217 /nfs/dbraw/zinc/23/92/17/361239217.db2.gz VVMORRZKOLWKAR-GRPTYIHUSA-N 1 0 289.335 1.817 20 5 CDBDRO [NH3+][C@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000050244138 283638445 /nfs/dbraw/zinc/63/84/45/283638445.db2.gz GXHOYRIVSLRCLP-JTQLQIEISA-N 1 0 258.281 1.680 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NCC[C@H]1CCC[NH2+]1 ZINC000166859553 361348355 /nfs/dbraw/zinc/34/83/55/361348355.db2.gz DNHSSYIQDABHAD-SNVBAGLBSA-N 1 0 250.302 1.852 20 5 CDBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000295849768 370690950 /nfs/dbraw/zinc/69/09/50/370690950.db2.gz AXLLZQHASBAPNM-FOGDFJRCSA-N 1 0 279.340 1.989 20 5 CDBDRO Cc1cccc(C(=O)NC[C@@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000237375332 361373749 /nfs/dbraw/zinc/37/37/49/361373749.db2.gz BVSCYWMYJLCZDG-QMMMGPOBSA-N 1 0 251.286 1.228 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@]1(CO)CCOC1 ZINC000184197309 189379362 /nfs/dbraw/zinc/37/93/62/189379362.db2.gz IGLVXPRHQKAPMT-KQIUPUNMSA-N 1 0 278.308 1.349 20 5 CDBDRO O=[N+]([O-])c1ccsc1NCCC[NH+]1CCC(O)CC1 ZINC000301976904 201284599 /nfs/dbraw/zinc/28/45/99/201284599.db2.gz CZQYPFULHBOGOB-UHFFFAOYSA-N 1 0 285.369 1.915 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])nc2)C[C@@H]1C ZINC000580339856 363901999 /nfs/dbraw/zinc/90/19/99/363901999.db2.gz JHEJEOXKIWTYCD-WDEREUQCSA-N 1 0 264.329 1.909 20 5 CDBDRO C[C@@H](C1CC1)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000304289472 239356900 /nfs/dbraw/zinc/35/69/00/239356900.db2.gz BXAFWWOYLUYBQE-HZMBPMFUSA-N 1 0 294.355 1.415 20 5 CDBDRO CN(CCn1cc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367604538 364001179 /nfs/dbraw/zinc/00/11/79/364001179.db2.gz UOWJPOUUEFHNIK-FUNVUKJBSA-N 1 0 293.371 1.348 20 5 CDBDRO Cc1c(C[N@H+]2C[C@@H](C)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000351795635 364009340 /nfs/dbraw/zinc/00/93/40/364009340.db2.gz OCGROWQYHJWIAX-RNCFNFMXSA-N 1 0 250.298 1.716 20 5 CDBDRO Cc1c(C(=O)N(C)C2CC([NH3+])C2)cccc1[N+](=O)[O-] ZINC000295325563 364029964 /nfs/dbraw/zinc/02/99/64/364029964.db2.gz XDVLOBGKFHRQGP-UHFFFAOYSA-N 1 0 263.297 1.465 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000582321886 364083775 /nfs/dbraw/zinc/08/37/75/364083775.db2.gz IUHWKYATHFWDOO-UWVGGRQHSA-N 1 0 281.360 1.648 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000189307263 189529054 /nfs/dbraw/zinc/52/90/54/189529054.db2.gz RFSTZBHJZDSMNS-GXFFZTMASA-N 1 0 277.324 1.394 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000189314073 189530179 /nfs/dbraw/zinc/53/01/79/189530179.db2.gz VBBAPXCGWDOBLB-PELKAZGASA-N 1 0 281.287 1.604 20 5 CDBDRO C[C@@H](O)C[NH+]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000189356146 189531491 /nfs/dbraw/zinc/53/14/91/189531491.db2.gz QXYCQZRZVDKONL-OLZOCXBDSA-N 1 0 293.367 1.654 20 5 CDBDRO C[C@@H]([NH2+]C1CC1)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000295933393 370773534 /nfs/dbraw/zinc/77/35/34/370773534.db2.gz ATORPASCXVEJBC-SECBINFHSA-N 1 0 275.308 1.624 20 5 CDBDRO C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000270967036 366947821 /nfs/dbraw/zinc/94/78/21/366947821.db2.gz YXNPJTGHUJAZIS-UHFFFAOYSA-N 1 0 291.351 1.690 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000414562929 241260824 /nfs/dbraw/zinc/26/08/24/241260824.db2.gz UEWPTQQVNWRRON-KBPBESRZSA-N 1 0 294.351 1.780 20 5 CDBDRO CC[NH2+]CCNCc1cc([N+](=O)[O-])ccc1OCC ZINC000414821543 366974464 /nfs/dbraw/zinc/97/44/64/366974464.db2.gz FFUGFMNHSKIHHJ-UHFFFAOYSA-N 1 0 267.329 1.693 20 5 CDBDRO CCN(CCCO)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000348329653 367123039 /nfs/dbraw/zinc/12/30/39/367123039.db2.gz ZPTCTUFQOOZSSN-UHFFFAOYSA-N 1 0 295.339 1.546 20 5 CDBDRO CCC[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000295987876 370821740 /nfs/dbraw/zinc/82/17/40/370821740.db2.gz PIVAKUKVQCLXBE-MGPQQGTHSA-N 1 0 280.324 1.785 20 5 CDBDRO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000130530944 367284749 /nfs/dbraw/zinc/28/47/49/367284749.db2.gz BWBMETPKHQNZHR-UFBFGSQYSA-N 1 0 281.312 1.915 20 5 CDBDRO Cc1cc(NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1[N+](=O)[O-] ZINC000415419212 241677104 /nfs/dbraw/zinc/67/71/04/241677104.db2.gz PTVQYYHJHMVFJX-IAZYJMLFSA-N 1 0 276.296 1.243 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000415496213 241704432 /nfs/dbraw/zinc/70/44/32/241704432.db2.gz GQORUJWYSRDYOI-QMMMGPOBSA-N 1 0 252.274 1.311 20 5 CDBDRO C[NH+](C)C1(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000417129909 242330709 /nfs/dbraw/zinc/33/07/09/242330709.db2.gz AHCSEMIBYUSBOG-UHFFFAOYSA-N 1 0 278.312 1.811 20 5 CDBDRO C[C@H](NC(=O)N[C@@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000417140139 242335139 /nfs/dbraw/zinc/33/51/39/242335139.db2.gz PMGXEGGAZDYUEE-ZANVPECISA-N 1 0 292.339 1.692 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000269165077 367808879 /nfs/dbraw/zinc/80/88/79/367808879.db2.gz COORMEJWWQVRNO-VIFPVBQESA-N 1 0 297.742 1.930 20 5 CDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000269237739 367971576 /nfs/dbraw/zinc/97/15/76/367971576.db2.gz LTWRBKJZLNZUAB-MRVPVSSYSA-N 1 0 283.715 1.474 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418503757 243152317 /nfs/dbraw/zinc/15/23/17/243152317.db2.gz YRUZOCCVBVVFQE-LBPRGKRZSA-N 1 0 292.339 1.474 20 5 CDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000389724622 368838874 /nfs/dbraw/zinc/83/88/74/368838874.db2.gz PHPXMLBTMALARD-LBPRGKRZSA-N 1 0 295.314 1.852 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000089108769 368975318 /nfs/dbraw/zinc/97/53/18/368975318.db2.gz BGQHQUZBMYNYOJ-MWLCHTKSSA-N 1 0 250.302 1.919 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000089106911 368975383 /nfs/dbraw/zinc/97/53/83/368975383.db2.gz TUPWGFIQHIIRKR-QWHCGFSZSA-N 1 0 291.351 1.771 20 5 CDBDRO O=[N+]([O-])c1ccc(SCCN2CCOCC2)nc1 ZINC000269394838 369054192 /nfs/dbraw/zinc/05/41/92/369054192.db2.gz DQTAHOOIFAXOQW-UHFFFAOYSA-N 1 0 269.326 1.414 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2csc([N+](=O)[O-])c2)CCC1 ZINC000276069594 193203978 /nfs/dbraw/zinc/20/39/78/193203978.db2.gz WCKBNPVNRHQYRK-UHFFFAOYSA-N 1 0 283.353 1.870 20 5 CDBDRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])o1 ZINC000361116974 284143182 /nfs/dbraw/zinc/14/31/82/284143182.db2.gz GWUWQONPDVRDTD-VHSXEESVSA-N 1 0 279.296 1.306 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000295216456 369674662 /nfs/dbraw/zinc/67/46/62/369674662.db2.gz MEKBIQUCABSWFM-VHSXEESVSA-N 1 0 297.380 1.929 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000295243016 369720755 /nfs/dbraw/zinc/72/07/55/369720755.db2.gz PJWSYVJNNLKDDN-SECBINFHSA-N 1 0 280.328 1.128 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000295244204 369722009 /nfs/dbraw/zinc/72/20/09/369722009.db2.gz PLXFTTWPAOCFEQ-ZETCQYMHSA-N 1 0 257.315 1.514 20 5 CDBDRO COC(=O)c1cnc(NCC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000276574578 193385763 /nfs/dbraw/zinc/38/57/63/193385763.db2.gz NPPLGYIYGYRHGR-UHFFFAOYSA-N 1 0 294.311 1.283 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+](C2CC2)C1 ZINC000295561546 370487395 /nfs/dbraw/zinc/48/73/95/370487395.db2.gz MYYICLGORZHGGK-JTQLQIEISA-N 1 0 293.323 1.744 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000422747534 245209783 /nfs/dbraw/zinc/20/97/83/245209783.db2.gz QIFUNOXCCLBVKH-LLVKDONJSA-N 1 0 277.324 1.612 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000168704623 371067181 /nfs/dbraw/zinc/06/71/81/371067181.db2.gz CGIVWJCHYFTOCS-JQWIXIFHSA-N 1 0 277.324 1.713 20 5 CDBDRO COc1ccc(CNCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000414903087 371073676 /nfs/dbraw/zinc/07/36/76/371073676.db2.gz JBUHMZWWWKNKJY-GFCCVEGCSA-N 1 0 279.340 1.835 20 5 CDBDRO C[C@@](C[NH3+])(NC(=O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000237626654 372038117 /nfs/dbraw/zinc/03/81/17/372038117.db2.gz BWELWPBTYUVYRD-AWEZNQCLSA-N 1 0 293.323 1.217 20 5 CDBDRO C[NH2+]CCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000151236301 372013083 /nfs/dbraw/zinc/01/30/83/372013083.db2.gz HBYKSSFAMLSCCW-UHFFFAOYSA-N 1 0 299.352 1.275 20 5 CDBDRO [NH3+][C@H]1C[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC001580431910 1172432152 /nfs/dbraw/zinc/43/21/52/1172432152.db2.gz YWIIMZWDUCKCDB-LJGSYFOKSA-N 1 0 287.117 1.654 20 5 CDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC(C)(C)O ZINC000177726644 372928117 /nfs/dbraw/zinc/92/81/17/372928117.db2.gz ABWVPRDLZCHSSA-SNVBAGLBSA-N 1 0 295.339 1.625 20 5 CDBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000298441200 373601593 /nfs/dbraw/zinc/60/15/93/373601593.db2.gz HJNPDAOJYPOYNX-VIFPVBQESA-N 1 0 279.296 1.402 20 5 CDBDRO C[C@@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000298878043 374248051 /nfs/dbraw/zinc/24/80/51/374248051.db2.gz XNFNJXGWYSVVCU-NSHDSACASA-N 1 0 295.339 1.430 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000368493849 374314814 /nfs/dbraw/zinc/31/48/14/374314814.db2.gz CXTYJETVTUYJHC-AAEUAGOBSA-N 1 0 295.314 1.296 20 5 CDBDRO CCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000525676568 374315296 /nfs/dbraw/zinc/31/52/96/374315296.db2.gz UPRCNBMWTIJWSY-UHFFFAOYSA-N 1 0 282.344 1.347 20 5 CDBDRO COc1cccc(C(=O)N2CC[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC000423714523 374393645 /nfs/dbraw/zinc/39/36/45/374393645.db2.gz XSIQHRGWLUTOQC-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO Cc1nc(N2CCC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000370539508 374395661 /nfs/dbraw/zinc/39/56/61/374395661.db2.gz SOCFBWIFYLHOTR-LBPRGKRZSA-N 1 0 276.340 1.973 20 5 CDBDRO COCC[NH+]1CCC(Nc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000115516265 374412011 /nfs/dbraw/zinc/41/20/11/374412011.db2.gz BJLNHVYFCFQXGV-UHFFFAOYSA-N 1 0 294.355 1.821 20 5 CDBDRO Cn1cncc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373275034 374463535 /nfs/dbraw/zinc/46/35/35/374463535.db2.gz OVCAAHMUNRBNHT-UHFFFAOYSA-N 1 0 290.327 1.362 20 5 CDBDRO COC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000531966425 374521680 /nfs/dbraw/zinc/52/16/80/374521680.db2.gz BNXGAROQVUJXHM-FZMZJTMJSA-N 1 0 282.340 1.951 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000377481494 374603580 /nfs/dbraw/zinc/60/35/80/374603580.db2.gz LJABIUVAEWUZAN-SNVBAGLBSA-N 1 0 295.364 1.967 20 5 CDBDRO C[NH+](C)CCCCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000299512640 374680641 /nfs/dbraw/zinc/68/06/41/374680641.db2.gz SXMXCWWTWRNDPA-UHFFFAOYSA-N 1 0 295.339 1.432 20 5 CDBDRO COc1ccc(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000449520288 374816607 /nfs/dbraw/zinc/81/66/07/374816607.db2.gz RTNICRUDLAKMFI-GXTWGEPZSA-N 1 0 291.351 1.739 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000449694429 374824888 /nfs/dbraw/zinc/82/48/88/374824888.db2.gz GKEDGXWHESNXAL-WDEREUQCSA-N 1 0 292.339 1.385 20 5 CDBDRO COc1ccc(CNC(=O)[C@@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000277080014 374770363 /nfs/dbraw/zinc/77/03/63/374770363.db2.gz PZEFXTCSAKFBRM-IUCAKERBSA-N 1 0 281.312 1.203 20 5 CDBDRO CC1(C)CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000330543312 374862477 /nfs/dbraw/zinc/86/24/77/374862477.db2.gz YVILXKGKEZLVBR-LBPRGKRZSA-N 1 0 282.344 1.274 20 5 CDBDRO C[C@@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)CC[NH2+]1 ZINC000095069515 374863824 /nfs/dbraw/zinc/86/38/24/374863824.db2.gz NUNMGVVGOIABSQ-SECBINFHSA-N 1 0 273.296 1.336 20 5 CDBDRO COc1cccc(C(=O)N2CCN(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000331277062 374921971 /nfs/dbraw/zinc/92/19/71/374921971.db2.gz JHAOIYDLIAZVNU-JTQLQIEISA-N 1 0 293.323 1.380 20 5 CDBDRO COC(C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)OC ZINC000282433374 375085664 /nfs/dbraw/zinc/08/56/64/375085664.db2.gz KHRYGFZONZCGHU-UHFFFAOYSA-N 1 0 268.313 1.688 20 5 CDBDRO CCc1nn(C)c(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1[N+](=O)[O-] ZINC000156384064 375054247 /nfs/dbraw/zinc/05/42/47/375054247.db2.gz GLAJTVXYKSXYKG-ZJUUUORDSA-N 1 0 279.344 1.221 20 5 CDBDRO Cc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000471800053 375056312 /nfs/dbraw/zinc/05/63/12/375056312.db2.gz SUIMUROKEQAKFW-JQWIXIFHSA-N 1 0 250.298 1.858 20 5 CDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000096268643 375068888 /nfs/dbraw/zinc/06/88/88/375068888.db2.gz UMEDVIIDEVOMFM-OAHLLOKOSA-N 1 0 289.335 1.763 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000131818896 375353679 /nfs/dbraw/zinc/35/36/79/375353679.db2.gz AMTCWRPAGRLMOL-BDAKNGLRSA-N 1 0 281.287 1.543 20 5 CDBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCC[C@@H]1O ZINC000162501164 375369011 /nfs/dbraw/zinc/36/90/11/375369011.db2.gz CRBRUHSQBZDEIG-SNPRPXQTSA-N 1 0 294.351 1.721 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000131859488 375369026 /nfs/dbraw/zinc/36/90/26/375369026.db2.gz KWOWOGOYRWZOFL-QWRGUYRKSA-N 1 0 277.324 1.713 20 5 CDBDRO CO[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000132210828 375414015 /nfs/dbraw/zinc/41/40/15/375414015.db2.gz UUMFOCQISIQGGU-ZDUSSCGKSA-N 1 0 266.297 1.490 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000132607052 375538690 /nfs/dbraw/zinc/53/86/90/375538690.db2.gz DSVMSVFNAKAJSP-LLVKDONJSA-N 1 0 281.287 1.558 20 5 CDBDRO CO[C@@H](C)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000353223041 375589728 /nfs/dbraw/zinc/58/97/28/375589728.db2.gz VTFCMDKOGDNKSV-NSHDSACASA-N 1 0 295.339 1.890 20 5 CDBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000162997524 375580028 /nfs/dbraw/zinc/58/00/28/375580028.db2.gz QRKVQZNXEJLHTO-OSMZGAPFSA-N 1 0 280.324 1.643 20 5 CDBDRO COc1ccc(CN(C)Cc2ccnn2C)cc1[N+](=O)[O-] ZINC000353464368 375612442 /nfs/dbraw/zinc/61/24/42/375612442.db2.gz UMHZCOLQMANMQC-UHFFFAOYSA-N 1 0 290.323 1.969 20 5 CDBDRO Cc1nc(NC[C@](C)(O)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000132993201 375655918 /nfs/dbraw/zinc/65/59/18/375655918.db2.gz QSQSPFJTHIVICH-LBPRGKRZSA-N 1 0 268.317 1.023 20 5 CDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000058924323 375840936 /nfs/dbraw/zinc/84/09/36/375840936.db2.gz LJSLGOKHKKYDIK-SECBINFHSA-N 1 0 283.353 1.728 20 5 CDBDRO C[C@H]([NH2+]C[C@@H](O)[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000358043996 375947786 /nfs/dbraw/zinc/94/77/86/375947786.db2.gz HFHYJVBCZSGMBI-VHRBIJSZSA-N 1 0 280.324 1.643 20 5 CDBDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000188479073 376051398 /nfs/dbraw/zinc/05/13/98/376051398.db2.gz DGNJTMIRMDODOD-JTQLQIEISA-N 1 0 265.313 1.551 20 5 CDBDRO CCc1ccc(C(=O)NC[C@@H](C)[NH2+]C)cc1[N+](=O)[O-] ZINC000261842404 190045336 /nfs/dbraw/zinc/04/53/36/190045336.db2.gz WJTRJHYRNJPNLB-SECBINFHSA-N 1 0 265.313 1.495 20 5 CDBDRO O=C(CC[C@H]1CC[NH2+]C1)NCCc1ccccc1[N+](=O)[O-] ZINC000261889322 190045604 /nfs/dbraw/zinc/04/56/04/190045604.db2.gz SWAGUOXGXNMWFC-LBPRGKRZSA-N 1 0 291.351 1.643 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000262416596 190054552 /nfs/dbraw/zinc/05/45/52/190054552.db2.gz REOIFMXPMNSUMU-PELKAZGASA-N 1 0 278.312 1.047 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000430562434 247649299 /nfs/dbraw/zinc/64/92/99/247649299.db2.gz DNADIGCQKGNWFH-OLZOCXBDSA-N 1 0 291.351 1.800 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000262827319 190063410 /nfs/dbraw/zinc/06/34/10/190063410.db2.gz PZTITRFTDHVFBG-MNOVXSKESA-N 1 0 292.339 1.121 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000262854391 190063926 /nfs/dbraw/zinc/06/39/26/190063926.db2.gz SQBLFNDSSBAFGO-JQWIXIFHSA-N 1 0 277.324 1.631 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000262765961 190062475 /nfs/dbraw/zinc/06/24/75/190062475.db2.gz JFMGKJHCFLTSOK-QWRGUYRKSA-N 1 0 277.324 1.726 20 5 CDBDRO C[C@H]([NH2+]C1CC1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000296605953 376578005 /nfs/dbraw/zinc/57/80/05/376578005.db2.gz YTEJOTIQCXXNOG-VIFPVBQESA-N 1 0 263.297 1.352 20 5 CDBDRO C[C@H]1[NH2+]CCN(CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000436061288 248219469 /nfs/dbraw/zinc/21/94/69/248219469.db2.gz HARJBNDMPZDPOO-NEPJUHHUSA-N 1 0 279.340 1.656 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000189308866 377228953 /nfs/dbraw/zinc/22/89/53/377228953.db2.gz GRTMQLSPUCIEPD-SKDRFNHKSA-N 1 0 263.297 1.465 20 5 CDBDRO COCC[C@@](C)(O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000172072136 377240126 /nfs/dbraw/zinc/24/01/26/377240126.db2.gz IMCHNPUUEFSIPQ-KEDPEKRHSA-N 1 0 294.351 1.985 20 5 CDBDRO CCOC(=O)CC[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000385621992 377822666 /nfs/dbraw/zinc/82/26/66/377822666.db2.gz FFMKUSDFMQDOPL-ZDUSSCGKSA-N 1 0 296.323 1.389 20 5 CDBDRO CC[N@H+](CC(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266423275 190256309 /nfs/dbraw/zinc/25/63/09/190256309.db2.gz JGVONIMNNCPCAG-GFCCVEGCSA-N 1 0 270.333 1.130 20 5 CDBDRO CC(C)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000266888798 190287600 /nfs/dbraw/zinc/28/76/00/190287600.db2.gz DAXIQMQEYVNRPX-LBPRGKRZSA-N 1 0 252.318 1.912 20 5 CDBDRO CCC[N@H+](CC)CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000266946481 190292227 /nfs/dbraw/zinc/29/22/27/190292227.db2.gz YHHHIRNQQORUPW-UHFFFAOYSA-N 1 0 268.317 1.385 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C[NH+](C)C)C2)n1 ZINC000268813192 190435978 /nfs/dbraw/zinc/43/59/78/190435978.db2.gz MSXMPSRDRKFZIS-NSHDSACASA-N 1 0 264.329 1.686 20 5 CDBDRO CCN(CCC[NH+]1CCCC1)c1c([N+](=O)[O-])ncn1C ZINC000350670828 284895901 /nfs/dbraw/zinc/89/59/01/284895901.db2.gz UOPBXXVOYSFLCJ-UHFFFAOYSA-N 1 0 281.360 1.641 20 5 CDBDRO C[C@@H]1C[N@H+](C)CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000491577324 253091937 /nfs/dbraw/zinc/09/19/37/253091937.db2.gz VMGQIDZVJHAZNT-ABZNLYFFSA-N 1 0 289.335 1.771 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107578017 285118215 /nfs/dbraw/zinc/11/82/15/285118215.db2.gz NRSFMWUHGNUUKV-PHIMTYICSA-N 1 0 265.288 1.385 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH+]3CCCC3)C2)nc1 ZINC000302090543 285172804 /nfs/dbraw/zinc/17/28/04/285172804.db2.gz GQQAQZLBGBCKBL-LLVKDONJSA-N 1 0 277.328 1.449 20 5 CDBDRO C[C@@H](NC(=O)/C=C\c1ccccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000394551323 390186029 /nfs/dbraw/zinc/18/60/29/390186029.db2.gz HZKQYJHURVKGNH-ZTXJHGQBSA-N 1 0 263.297 1.460 20 5 CDBDRO CO[C@@]1(C)C[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000451498632 390627185 /nfs/dbraw/zinc/62/71/85/390627185.db2.gz WXCWSGNYIFCIQW-GWCFXTLKSA-N 1 0 282.344 1.585 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@H](O)C[N@H+](C)C1CC1 ZINC000290031455 390942742 /nfs/dbraw/zinc/94/27/42/390942742.db2.gz QGKGJUCIRAKKDY-AWEZNQCLSA-N 1 0 293.367 1.482 20 5 CDBDRO COC(=O)[C@]1(C)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000412074923 391112016 /nfs/dbraw/zinc/11/20/16/391112016.db2.gz RLLNZSZAKURIOW-CYBMUJFWSA-N 1 0 296.327 1.066 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@H]2C1 ZINC000413273068 391189740 /nfs/dbraw/zinc/18/97/40/391189740.db2.gz UXLXCWJHACOCOX-DTORHVGOSA-N 1 0 266.276 1.127 20 5 CDBDRO C[N@@H+]1CCO[C@@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000366567707 391190285 /nfs/dbraw/zinc/19/02/85/391190285.db2.gz DLPAGJCAGSXYOB-NWDGAFQWSA-N 1 0 297.742 1.767 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@H+]2CCCO)c(F)c1 ZINC000413335275 391202409 /nfs/dbraw/zinc/20/24/09/391202409.db2.gz SXWIDDTVIYPAIH-SNVBAGLBSA-N 1 0 298.318 1.388 20 5 CDBDRO COc1ccc(NC(=O)N[C@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000415434738 391431915 /nfs/dbraw/zinc/43/19/15/391431915.db2.gz HXDCUVXLKHHBEZ-SECBINFHSA-N 1 0 296.327 1.852 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)CCC[NH3+] ZINC000415499727 391467824 /nfs/dbraw/zinc/46/78/24/391467824.db2.gz KQCJRTINXUKMNL-SECBINFHSA-N 1 0 296.327 1.852 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C[NH3+] ZINC000415504263 391468582 /nfs/dbraw/zinc/46/85/82/391468582.db2.gz PHVVNTQCGKYCRC-QMMMGPOBSA-N 1 0 252.274 1.372 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415637222 391470125 /nfs/dbraw/zinc/47/01/25/391470125.db2.gz ZVTOEXZTVUYSSU-PRHODGIISA-N 1 0 296.302 1.853 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]([NH3+])CC ZINC000415661236 391470870 /nfs/dbraw/zinc/47/08/70/391470870.db2.gz PZWJOPBJWHKDIW-SECBINFHSA-N 1 0 296.327 1.852 20 5 CDBDRO O=C(NCCNc1cc[nH+]cc1)c1csc([N+](=O)[O-])c1 ZINC000341869079 130096613 /nfs/dbraw/zinc/09/66/13/130096613.db2.gz QPNYPDJASYXRKW-UHFFFAOYSA-N 1 0 292.320 1.315 20 5 CDBDRO CC(C)c1n[nH]c(C(=O)NCC2([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000416310362 391984848 /nfs/dbraw/zinc/98/48/48/391984848.db2.gz ZOATZFMPIDEDGX-UHFFFAOYSA-N 1 0 295.343 1.265 20 5 CDBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000488803931 392727424 /nfs/dbraw/zinc/72/74/24/392727424.db2.gz ZGSRCYVWIQSKKE-NEPJUHHUSA-N 1 0 280.324 1.676 20 5 CDBDRO C[NH2+]C[C@H](C)CNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000420194443 392903722 /nfs/dbraw/zinc/90/37/22/392903722.db2.gz JKSZYKYHIBEKLE-QMMMGPOBSA-N 1 0 282.300 1.044 20 5 CDBDRO COc1ccc(CNC(=O)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000269057194 132105218 /nfs/dbraw/zinc/10/52/18/132105218.db2.gz XWXXCORQMVRCLK-NSHDSACASA-N 1 0 293.323 1.219 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000421699684 392942741 /nfs/dbraw/zinc/94/27/41/392942741.db2.gz BURPHUWPUGAKPM-SECBINFHSA-N 1 0 283.353 1.823 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000194928072 393016456 /nfs/dbraw/zinc/01/64/56/393016456.db2.gz NHJVUHUBAFSRQU-LURJTMIESA-N 1 0 257.677 1.325 20 5 CDBDRO CN(CCOc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000430638133 393102397 /nfs/dbraw/zinc/10/23/97/393102397.db2.gz CEKGGLXOYZGNHI-UHFFFAOYSA-N 1 0 279.340 1.657 20 5 CDBDRO COc1ccc(OCCN2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000430625266 393102909 /nfs/dbraw/zinc/10/29/09/393102909.db2.gz JTEPLGXKQNSTPV-SNVBAGLBSA-N 1 0 281.312 1.015 20 5 CDBDRO C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000430932396 393105561 /nfs/dbraw/zinc/10/55/61/393105561.db2.gz GDMIPOVDMSFGSX-VXGBXAGGSA-N 1 0 279.340 1.643 20 5 CDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532145705 393069599 /nfs/dbraw/zinc/06/95/99/393069599.db2.gz VBBVQZURTIBZGH-JTQLQIEISA-N 1 0 278.312 1.156 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCNC1=O ZINC000449108083 393129442 /nfs/dbraw/zinc/12/94/42/393129442.db2.gz PNKDBYYWLPIZAO-CMPLNLGQSA-N 1 0 277.324 1.394 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCOC1 ZINC000449215894 393132017 /nfs/dbraw/zinc/13/20/17/393132017.db2.gz ZJDOTYIWTMQVCV-BXUZGUMPSA-N 1 0 280.324 1.267 20 5 CDBDRO CCn1nnc(C)c1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000449207498 393132412 /nfs/dbraw/zinc/13/24/12/393132412.db2.gz OHEJRJOGULCZDP-UHFFFAOYSA-N 1 0 289.339 1.847 20 5 CDBDRO COC[C@@H](CO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449298271 393134249 /nfs/dbraw/zinc/13/42/49/393134249.db2.gz JCNZNLCWALDGFL-CMPLNLGQSA-N 1 0 268.313 1.123 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC000278677990 393143770 /nfs/dbraw/zinc/14/37/70/393143770.db2.gz GQYGNMZHQKRMMY-TXEJJXNPSA-N 1 0 261.325 1.901 20 5 CDBDRO Cc1cccc(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302514444 393199968 /nfs/dbraw/zinc/19/99/68/393199968.db2.gz UUGGOPOBIXYZHW-STQMWFEESA-N 1 0 293.367 1.795 20 5 CDBDRO C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000133800087 139870937 /nfs/dbraw/zinc/87/09/37/139870937.db2.gz DPLXONOSDCPEJT-AAEUAGOBSA-N 1 0 279.340 1.451 20 5 CDBDRO Cc1cc(NCCOCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000226738299 140180838 /nfs/dbraw/zinc/18/08/38/140180838.db2.gz JDEVMDNWLSWDFJ-UHFFFAOYSA-N 1 0 268.317 1.288 20 5 CDBDRO O=C(NCC1=CC[NH2+]CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000229573958 140202894 /nfs/dbraw/zinc/20/28/94/140202894.db2.gz JVTSIZJQISFVPN-UHFFFAOYSA-N 1 0 276.296 1.636 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000232232537 140221138 /nfs/dbraw/zinc/22/11/38/140221138.db2.gz AKWWRJGKMLKVAM-JTQLQIEISA-N 1 0 281.287 1.606 20 5 CDBDRO COc1ccc(C(=O)N[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000232235761 140222536 /nfs/dbraw/zinc/22/25/36/140222536.db2.gz UFFAAKHXKKHEBG-LLVKDONJSA-N 1 0 293.323 1.475 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000237640378 140256701 /nfs/dbraw/zinc/25/67/01/140256701.db2.gz XILPLYGVSAZDQG-DTWKUNHWSA-N 1 0 278.312 1.121 20 5 CDBDRO [NH3+]CC1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCCC1 ZINC000238005975 140261417 /nfs/dbraw/zinc/26/14/17/140261417.db2.gz DSFFDQHPQUKQCT-UHFFFAOYSA-N 1 0 291.351 1.773 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@@H]12 ZINC000261588946 140358047 /nfs/dbraw/zinc/35/80/47/140358047.db2.gz VYZDIKAJKWCQSH-GMTAPVOTSA-N 1 0 267.354 1.825 20 5 CDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000261596913 140360079 /nfs/dbraw/zinc/36/00/79/140360079.db2.gz WXXDTHIMZBQAOR-GFCCVEGCSA-N 1 0 279.340 1.627 20 5 CDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000261596950 140360425 /nfs/dbraw/zinc/36/04/25/140360425.db2.gz ZKDYADWODBVRND-LLVKDONJSA-N 1 0 283.303 1.837 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000261621059 140364629 /nfs/dbraw/zinc/36/46/29/140364629.db2.gz GKERLTIHJCQYOI-STQMWFEESA-N 1 0 289.335 1.585 20 5 CDBDRO CCCc1[nH]nc(-c2nc(C[C@H](C)[NH2+]C)no2)c1[N+](=O)[O-] ZINC000261629183 140366377 /nfs/dbraw/zinc/36/63/77/140366377.db2.gz CKKXSSFEXAIULF-ZETCQYMHSA-N 1 0 294.315 1.471 20 5 CDBDRO C[C@H]([NH3+])CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000261829381 140395690 /nfs/dbraw/zinc/39/56/90/140395690.db2.gz JDECZTABVPRTSC-JTQLQIEISA-N 1 0 277.324 1.823 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(F)c1 ZINC000261843234 140397930 /nfs/dbraw/zinc/39/79/30/140397930.db2.gz VYHATJOITMESDJ-ZYHUDNBSSA-N 1 0 279.315 1.775 20 5 CDBDRO C[C@@H]1CN(c2ncccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000408068339 297086175 /nfs/dbraw/zinc/08/61/75/297086175.db2.gz TWSBIOMFILGDTR-ZJUUUORDSA-N 1 0 250.302 1.519 20 5 CDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C1 ZINC000423208348 397602978 /nfs/dbraw/zinc/60/29/78/397602978.db2.gz TVDSOPMRXGGVOP-CMPLNLGQSA-N 1 0 292.339 1.263 20 5 CDBDRO CO[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000167249689 147741849 /nfs/dbraw/zinc/74/18/49/147741849.db2.gz CAUGICYBCLZJLB-VHSXEESVSA-N 1 0 299.352 1.235 20 5 CDBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176240469 148031020 /nfs/dbraw/zinc/03/10/20/148031020.db2.gz XQDSIUAUDVHZIQ-NEPJUHHUSA-N 1 0 282.344 1.417 20 5 CDBDRO Nc1c(-c2nc(C3([NH3+])CCC3)no2)cccc1[N+](=O)[O-] ZINC000262018937 149001614 /nfs/dbraw/zinc/00/16/14/149001614.db2.gz VZNQXZVTBZMFNW-UHFFFAOYSA-N 1 0 275.268 1.565 20 5 CDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[N@@H+]1CCCC[C@H]1C ZINC000343069697 152019565 /nfs/dbraw/zinc/01/95/65/152019565.db2.gz ZYDQRUKXCRJRLX-GHMZBOCLSA-N 1 0 294.355 1.916 20 5 CDBDRO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])nc2)CCC[N@@H+]1C ZINC000343509301 152205852 /nfs/dbraw/zinc/20/58/52/152205852.db2.gz HZCMSRRISOFDDD-KOLCDFICSA-N 1 0 250.302 1.884 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1 ZINC000344008270 152386702 /nfs/dbraw/zinc/38/67/02/152386702.db2.gz AMERUHZZVRDUER-GLQYFDAESA-N 1 0 292.335 1.676 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H]1C ZINC000345980502 153015945 /nfs/dbraw/zinc/01/59/45/153015945.db2.gz LCEJUWGKYOCUMJ-VHSXEESVSA-N 1 0 280.328 1.478 20 5 CDBDRO C[C@@H]1[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000346071754 153042570 /nfs/dbraw/zinc/04/25/70/153042570.db2.gz NRYCFCOBZGXCLQ-RNCFNFMXSA-N 1 0 293.323 1.513 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC([NH3+])CC1 ZINC000346632808 153250532 /nfs/dbraw/zinc/25/05/32/153250532.db2.gz FBDOUOZVSBJITM-UHFFFAOYSA-N 1 0 279.340 1.917 20 5 CDBDRO C[NH2+]CCN(C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000346671776 153266162 /nfs/dbraw/zinc/26/61/62/153266162.db2.gz HCQFVOHEQFBYSY-UHFFFAOYSA-N 1 0 283.328 1.263 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000354084308 156260348 /nfs/dbraw/zinc/26/03/48/156260348.db2.gz XNYOVMIJWSDOPC-UHFFFAOYSA-N 1 0 295.314 1.900 20 5 CDBDRO CC(C)[NH+](CCN(C)c1ncc([N+](=O)[O-])cn1)C(C)C ZINC000354586996 156537184 /nfs/dbraw/zinc/53/71/84/156537184.db2.gz NAKOPLCWTFVTDU-UHFFFAOYSA-N 1 0 281.360 1.940 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359280764 158196409 /nfs/dbraw/zinc/19/64/09/158196409.db2.gz IEMBOVALWKNXGX-TXEJJXNPSA-N 1 0 277.324 1.125 20 5 CDBDRO COc1c(C(=O)NCC[NH2+]C(C)(C)C)cccc1[N+](=O)[O-] ZINC000359589597 158300933 /nfs/dbraw/zinc/30/09/33/158300933.db2.gz NDCHPWXJBSEHHW-UHFFFAOYSA-N 1 0 295.339 1.721 20 5 CDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000362480105 159157854 /nfs/dbraw/zinc/15/78/54/159157854.db2.gz QNPMPGLKWZVXHW-LLVKDONJSA-N 1 0 294.355 1.347 20 5 CDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000362524309 159169815 /nfs/dbraw/zinc/16/98/15/159169815.db2.gz MTIGOAXOWRFKFG-LLVKDONJSA-N 1 0 294.355 1.490 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])o1 ZINC000363007618 159288920 /nfs/dbraw/zinc/28/89/20/159288920.db2.gz LLCDZANLYLKSAE-UWVGGRQHSA-N 1 0 279.296 1.544 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000363911017 159353106 /nfs/dbraw/zinc/35/31/06/159353106.db2.gz SWCXERMPBDJJFK-JTQLQIEISA-N 1 0 263.301 1.059 20 5 CDBDRO Cc1ccc(NC(=O)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000019440522 170802416 /nfs/dbraw/zinc/80/24/16/170802416.db2.gz MMUSBOYBOCMPMT-UHFFFAOYSA-N 1 0 263.297 1.841 20 5 CDBDRO CC1CC[NH+](CCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285058254 196186818 /nfs/dbraw/zinc/18/68/18/196186818.db2.gz QQLZOSMNAMLYGQ-UHFFFAOYSA-N 1 0 295.343 1.170 20 5 CDBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCn1cncn1 ZINC000285157637 196209028 /nfs/dbraw/zinc/20/90/28/196209028.db2.gz AIDBEALOYBNWKV-UHFFFAOYSA-N 1 0 275.312 1.361 20 5 CDBDRO COCC[C@@H](CO)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285310311 196247380 /nfs/dbraw/zinc/24/73/80/196247380.db2.gz SMRONJMDSYCXPZ-KOLCDFICSA-N 1 0 283.328 1.225 20 5 CDBDRO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285455921 196290044 /nfs/dbraw/zinc/29/00/44/196290044.db2.gz ZRNWZFFPZRYDIV-UWVGGRQHSA-N 1 0 294.355 1.694 20 5 CDBDRO CCC[C@]1([NH2+]CCn2ccc([N+](=O)[O-])n2)CCOC1 ZINC000285608055 196341436 /nfs/dbraw/zinc/34/14/36/196341436.db2.gz PYKDBPAVKSJOOS-LBPRGKRZSA-N 1 0 268.317 1.340 20 5 CDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1(CO)CC1 ZINC000285610956 196343274 /nfs/dbraw/zinc/34/32/74/196343274.db2.gz VXAKMITVWJJRSZ-UHFFFAOYSA-N 1 0 254.261 1.691 20 5 CDBDRO C[NH+]1CCN(CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000037497016 173235950 /nfs/dbraw/zinc/23/59/50/173235950.db2.gz ALRZJXPFORATOW-UHFFFAOYSA-N 1 0 264.329 1.254 20 5 CDBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000040487122 174289464 /nfs/dbraw/zinc/28/94/64/174289464.db2.gz SJNMUZHZAWYHFO-KCJUWKMLSA-N 1 0 251.286 1.907 20 5 CDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000044492434 175180910 /nfs/dbraw/zinc/18/09/10/175180910.db2.gz VHJNATITLAGGAA-JTQLQIEISA-N 1 0 299.352 1.015 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000044563104 175206972 /nfs/dbraw/zinc/20/69/72/175206972.db2.gz SQGGSQKOWOTGES-JTQLQIEISA-N 1 0 250.302 1.886 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000044564367 175207522 /nfs/dbraw/zinc/20/75/22/175207522.db2.gz NEVNURSJEUFTBI-NSHDSACASA-N 1 0 295.314 1.948 20 5 CDBDRO COC[C@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000071268700 176102229 /nfs/dbraw/zinc/10/22/29/176102229.db2.gz AQPCFTVDEYHOHU-BXKDBHETSA-N 1 0 254.286 1.253 20 5 CDBDRO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000071312683 176119261 /nfs/dbraw/zinc/11/92/61/176119261.db2.gz KCLIHRCKMLNHNR-LBPRGKRZSA-N 1 0 278.312 1.811 20 5 CDBDRO CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000071315672 176122212 /nfs/dbraw/zinc/12/22/12/176122212.db2.gz ZKVKMRDZFXZIRJ-AWEZNQCLSA-N 1 0 291.351 1.738 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[NH2+]C1 ZINC000071397225 176150923 /nfs/dbraw/zinc/15/09/23/176150923.db2.gz HRAMMGVYHWYGSH-JTQLQIEISA-N 1 0 264.285 1.468 20 5 CDBDRO Cc1c(C(=O)NC[C@@H]2C[NH2+]CCCO2)cccc1[N+](=O)[O-] ZINC000390033700 262086285 /nfs/dbraw/zinc/08/62/85/262086285.db2.gz ZPAMLFDGXHOZDC-NSHDSACASA-N 1 0 293.323 1.012 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(c2ncc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000514580993 266004324 /nfs/dbraw/zinc/00/43/24/266004324.db2.gz GUNCDEFJLKWOJY-UWVGGRQHSA-N 1 0 279.344 1.612 20 5 CDBDRO CON1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000323061551 270331539 /nfs/dbraw/zinc/33/15/39/270331539.db2.gz LTSLFCVCEAZSNP-UHFFFAOYSA-N 1 0 265.313 1.710 20 5 CDBDRO C[NH+](C)C1(CNc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420649481 273791870 /nfs/dbraw/zinc/79/18/70/273791870.db2.gz GBOGLEMFUWTADD-UHFFFAOYSA-N 1 0 278.312 1.200 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000261818523 273968418 /nfs/dbraw/zinc/96/84/18/273968418.db2.gz SYIGODPKWZCJQC-MRVPVSSYSA-N 1 0 293.352 1.788 20 5 CDBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000362374994 274337430 /nfs/dbraw/zinc/33/74/30/274337430.db2.gz ZXHCSXXRUOMPIV-SKDRFNHKSA-N 1 0 263.297 1.731 20 5 CDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@H](C)[N@H+]1C ZINC000292932196 274364343 /nfs/dbraw/zinc/36/43/43/274364343.db2.gz ZLLGBGQPCIGUAS-DTORHVGOSA-N 1 0 282.319 1.845 20 5 CDBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000136684774 274369672 /nfs/dbraw/zinc/36/96/72/274369672.db2.gz QMMWSSSHFGFTOS-SSDOTTSWSA-N 1 0 256.693 1.441 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000262827392 274605443 /nfs/dbraw/zinc/60/54/43/274605443.db2.gz QBFZHHJFRCSOJU-JGVFFNPUSA-N 1 0 269.326 1.384 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000423679180 274686250 /nfs/dbraw/zinc/68/62/50/274686250.db2.gz LSRFWMHAYNYKQA-QWRGUYRKSA-N 1 0 279.340 1.986 20 5 CDBDRO Cc1cc(N2CC[NH2+][C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000310871116 274708715 /nfs/dbraw/zinc/70/87/15/274708715.db2.gz MARBXLBCGDCJSX-SECBINFHSA-N 1 0 253.277 1.840 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000122305219 274763176 /nfs/dbraw/zinc/76/31/76/274763176.db2.gz AOOHMHNIDYVQHD-NSHDSACASA-N 1 0 263.297 1.467 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H]1CC[NH2+]C1)CCC2 ZINC000423220399 275038066 /nfs/dbraw/zinc/03/80/66/275038066.db2.gz XSFHCROCVRIZQD-FZMZJTMJSA-N 1 0 261.325 1.924 20 5 CDBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000347242192 276108453 /nfs/dbraw/zinc/10/84/53/276108453.db2.gz DSWPQBYTDFXNDB-JTQLQIEISA-N 1 0 282.344 1.393 20 5 CDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CCCO1 ZINC000090522582 276134972 /nfs/dbraw/zinc/13/49/72/276134972.db2.gz IOPRIKBJDCOISP-ZDUSSCGKSA-N 1 0 295.339 1.257 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000122586224 277278064 /nfs/dbraw/zinc/27/80/64/277278064.db2.gz AOFZNRSKGVRYQO-QMMMGPOBSA-N 1 0 253.258 1.012 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH3+])CCC2)c1 ZINC000342597712 277430837 /nfs/dbraw/zinc/43/08/37/277430837.db2.gz UJUQVXWATOYEOT-UHFFFAOYSA-N 1 0 279.296 1.215 20 5 CDBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H]1[NH+](C)C ZINC000332665158 278165080 /nfs/dbraw/zinc/16/50/80/278165080.db2.gz PPPBGFPXTZUZCG-QWRGUYRKSA-N 1 0 298.368 1.041 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420258494 279114906 /nfs/dbraw/zinc/11/49/06/279114906.db2.gz XQEMVIKMKWWBHI-LDYMZIIASA-N 1 0 289.295 1.571 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](C)C1 ZINC000091557149 279286846 /nfs/dbraw/zinc/28/68/46/279286846.db2.gz FNIGVJUSPZTHHG-NSHDSACASA-N 1 0 281.360 1.873 20 5 CDBDRO CN(C)C(=O)C(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000108422351 279306861 /nfs/dbraw/zinc/30/68/61/279306861.db2.gz HTOAJIJVKLOQEY-UHFFFAOYSA-N 1 0 265.313 1.551 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H]1C[NH3+] ZINC000261994527 279663857 /nfs/dbraw/zinc/66/38/57/279663857.db2.gz NGJVPUJFCBOHSY-TVQRCGJNSA-N 1 0 292.339 1.376 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000235670653 279947679 /nfs/dbraw/zinc/94/76/79/279947679.db2.gz LHEBVVCPWNXODC-YUMQZZPRSA-N 1 0 270.720 1.817 20 5 CDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[NH2+]1 ZINC000211394067 280085800 /nfs/dbraw/zinc/08/58/00/280085800.db2.gz AOMCUVWORDESAD-DGMVEKRQSA-N 1 0 275.308 1.476 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000235344179 280126637 /nfs/dbraw/zinc/12/66/37/280126637.db2.gz COYXXJWXDDQWIC-PWBFPFQSSA-N 1 0 275.308 1.414 20 5 CDBDRO C[C@@]1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000237498169 280177758 /nfs/dbraw/zinc/17/77/58/280177758.db2.gz QKEORMOJSRNOTP-CQSZACIVSA-N 1 0 292.339 1.123 20 5 CDBDRO Cc1c(C(=O)N2CCCC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000044542020 280205314 /nfs/dbraw/zinc/20/53/14/280205314.db2.gz MKCARXITESRUQL-NSHDSACASA-N 1 0 277.324 1.857 20 5 CDBDRO Cc1c(C(=O)NC(C)(C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000457229070 280214210 /nfs/dbraw/zinc/21/42/10/280214210.db2.gz YIFXYIDSKCGBJO-UHFFFAOYSA-N 1 0 279.340 1.973 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)cc1 ZINC000252701813 280527251 /nfs/dbraw/zinc/52/72/51/280527251.db2.gz FKJKPBQIJZARRP-AULYBMBSSA-N 1 0 250.298 1.988 20 5 CDBDRO CC(C)=CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000514932958 280861392 /nfs/dbraw/zinc/86/13/92/280861392.db2.gz QFJRJWQPZXOPAZ-LBPRGKRZSA-N 1 0 280.324 1.890 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000071310041 281015690 /nfs/dbraw/zinc/01/56/90/281015690.db2.gz RTBWMQCRQYQHNV-NSHDSACASA-N 1 0 263.297 1.337 20 5 CDBDRO COc1cc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000154149986 289195902 /nfs/dbraw/zinc/19/59/02/289195902.db2.gz KLLNUOVNUQAXLI-KOLCDFICSA-N 1 0 293.323 1.555 20 5 CDBDRO C[NH+]1CCC(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255828819 289387159 /nfs/dbraw/zinc/38/71/59/289387159.db2.gz ZGQMZALPKNHUCB-SREVYHEPSA-N 1 0 289.335 1.818 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2(O)CCOCC2)cc1 ZINC000162626744 292827674 /nfs/dbraw/zinc/82/76/74/292827674.db2.gz KTJJEAIHXYEPIQ-UHFFFAOYSA-N 1 0 280.324 1.268 20 5 CDBDRO CNc1ccc(C(=O)N2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000563108860 293277028 /nfs/dbraw/zinc/27/70/28/293277028.db2.gz OIUWDGFNHNLXJP-VIFPVBQESA-N 1 0 278.312 1.070 20 5 CDBDRO CC(C)([NH2+]CC[C@@H]1CCNC1=O)c1ccccc1[N+](=O)[O-] ZINC000565171331 293541071 /nfs/dbraw/zinc/54/10/71/293541071.db2.gz LKXYDNCSFZHADN-NSHDSACASA-N 1 0 291.351 1.946 20 5 CDBDRO COc1ccc(CC(=O)NC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000567266842 293748902 /nfs/dbraw/zinc/74/89/02/293748902.db2.gz KYGBYEKOJDGGFV-UHFFFAOYSA-N 1 0 293.323 1.014 20 5 CDBDRO CC(C)(C[NH3+])C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000570508392 294251862 /nfs/dbraw/zinc/25/18/62/294251862.db2.gz RGEZEPHSFYZVOK-UHFFFAOYSA-N 1 0 281.312 1.075 20 5 CDBDRO Cc1n[nH]c(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000574530689 295015009 /nfs/dbraw/zinc/01/50/09/295015009.db2.gz DFFDJXZKYIJTOA-LBPRGKRZSA-N 1 0 287.323 1.841 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000216003911 302038838 /nfs/dbraw/zinc/03/88/38/302038838.db2.gz ZUMAOWGILPHHED-GHMZBOCLSA-N 1 0 277.324 1.713 20 5 CDBDRO C[NH2+]CCCn1cnc2c(Cl)cc([N+](=O)[O-])cc2c1=O ZINC000569358646 316771116 /nfs/dbraw/zinc/77/11/16/316771116.db2.gz FGMLVWAUSMMLLP-UHFFFAOYSA-N 1 0 296.714 1.568 20 5 CDBDRO C[NH2+]CCCOc1ccc([N+](=O)[O-])c(C(=O)OC)c1 ZINC000576700481 317189776 /nfs/dbraw/zinc/18/97/76/317189776.db2.gz GPMCQKOSVFSMCU-UHFFFAOYSA-N 1 0 268.269 1.370 20 5 CDBDRO O=C1CCCN1CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000582671163 325022047 /nfs/dbraw/zinc/02/20/47/325022047.db2.gz IIOIUEZKAMUYLO-ZZXKWVIFSA-N 1 0 289.335 1.820 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000582718843 325029642 /nfs/dbraw/zinc/02/96/42/325029642.db2.gz CTYDDHYJORLGTJ-UGFHNGPFSA-N 1 0 293.367 1.571 20 5 CDBDRO COc1ccc(NC(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000582904949 325066566 /nfs/dbraw/zinc/06/65/66/325066566.db2.gz VDVACCUQROAXRC-BDAKNGLRSA-N 1 0 296.327 1.851 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[NH2+]1 ZINC000583614015 325208473 /nfs/dbraw/zinc/20/84/73/325208473.db2.gz OBUGAIQGCPNLSH-LLVKDONJSA-N 1 0 278.312 1.146 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCC(F)(F)F)c1 ZINC000130572874 1159621897 /nfs/dbraw/zinc/62/18/97/1159621897.db2.gz BFZXDNRSQGXBNY-SECBINFHSA-N 1 0 296.249 1.084 20 5 CDBDRO COc1cc(N2C[C@@H](C[NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000216206670 482459801 /nfs/dbraw/zinc/45/98/01/482459801.db2.gz MGRRWMKWOOPPRP-VHSXEESVSA-N 1 0 265.313 1.777 20 5 CDBDRO CC(C)C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000020125423 519501790 /nfs/dbraw/zinc/50/17/90/519501790.db2.gz BCVPOGOPSGQCIZ-UHFFFAOYSA-N 1 0 265.313 1.457 20 5 CDBDRO CC(C)CNC(=[NH2+])NCCc1ccc([N+](=O)[O-])cc1 ZINC000052043344 519733376 /nfs/dbraw/zinc/73/33/76/519733376.db2.gz BRPJPHXSZGOHSJ-UHFFFAOYSA-N 1 0 264.329 1.907 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000161475590 520236788 /nfs/dbraw/zinc/23/67/88/520236788.db2.gz VPNGNMWWRURGCJ-UHFFFAOYSA-N 1 0 280.328 1.318 20 5 CDBDRO C[NH2+]CC1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000063159542 521973551 /nfs/dbraw/zinc/97/35/51/521973551.db2.gz DGOZVFIJNHIXLI-UHFFFAOYSA-N 1 0 291.351 1.595 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000148823100 522031869 /nfs/dbraw/zinc/03/18/69/522031869.db2.gz UFADTJSBRPOYQA-SECBINFHSA-N 1 0 265.313 1.489 20 5 CDBDRO CNc1ccc(C(=O)N[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000050788232 522593831 /nfs/dbraw/zinc/59/38/31/522593831.db2.gz ILCIOKNSJQVCQD-SNVBAGLBSA-N 1 0 294.355 1.707 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1OCC1CC[NH2+]CC1 ZINC000050505292 522982449 /nfs/dbraw/zinc/98/24/49/522982449.db2.gz DDDXNONZAWXPRC-UHFFFAOYSA-N 1 0 266.297 1.982 20 5 CDBDRO COCCN(C)CC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000061379149 523608959 /nfs/dbraw/zinc/60/89/59/523608959.db2.gz NAABIJZOLPWVBN-UHFFFAOYSA-N 1 0 297.355 1.271 20 5 CDBDRO COCC[NH+](CCOC)Cc1cccc([N+](=O)[O-])c1 ZINC000060992487 523718299 /nfs/dbraw/zinc/71/82/99/523718299.db2.gz WYGTURHDMQAGGB-UHFFFAOYSA-N 1 0 268.313 1.690 20 5 CDBDRO C[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C[C@@H]1C[NH3+] ZINC000226784344 524524798 /nfs/dbraw/zinc/52/47/98/524524798.db2.gz ACVKVBNSVZIYHG-SFYZADRCSA-N 1 0 256.331 1.472 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000237370405 524584097 /nfs/dbraw/zinc/58/40/97/524584097.db2.gz RKODKFBHZGMZIM-ZETCQYMHSA-N 1 0 271.704 1.573 20 5 CDBDRO Cc1ccc(C(=O)NC[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000237565554 526179579 /nfs/dbraw/zinc/17/95/79/526179579.db2.gz ANRUKHDIEBWHRH-MRVPVSSYSA-N 1 0 251.286 1.228 20 5 CDBDRO NC(=O)c1ccc(NCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000049575317 527067768 /nfs/dbraw/zinc/06/77/68/527067768.db2.gz WNCVMVHBQLNVAD-UHFFFAOYSA-N 1 0 292.339 1.592 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCCCO)cc1 ZINC000051021035 527347196 /nfs/dbraw/zinc/34/71/96/527347196.db2.gz YPDWSSZHKHBBJD-UHFFFAOYSA-N 1 0 252.314 1.890 20 5 CDBDRO Cc1nn(C)c(N2CC[C@@H](C)[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000163948488 527676958 /nfs/dbraw/zinc/67/69/58/527676958.db2.gz FFBZAAHVMZGSTR-PSASIEDQSA-N 1 0 267.333 1.058 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH3+])c1 ZINC000423453444 535427285 /nfs/dbraw/zinc/42/72/85/535427285.db2.gz KRJJYFRVKDMIME-VIFPVBQESA-N 1 0 281.312 1.318 20 5 CDBDRO CCc1nn(C)c(NCC2(C)CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000129427156 536180751 /nfs/dbraw/zinc/18/07/51/536180751.db2.gz SGJAPAFJCZCXBD-UHFFFAOYSA-N 1 0 281.360 1.692 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNCC1([NH3+])CCC1 ZINC000342130215 536955407 /nfs/dbraw/zinc/95/54/07/536955407.db2.gz LQQHJFIUGIXTIS-UHFFFAOYSA-N 1 0 265.313 1.574 20 5 CDBDRO CCOc1cc(C[NH2+][C@@H](CO)C2CC2)ccc1[N+](=O)[O-] ZINC000755053507 576928324 /nfs/dbraw/zinc/92/83/24/576928324.db2.gz AVONEAIGUSQFFR-LBPRGKRZSA-N 1 0 280.324 1.854 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]CCc2ccc(F)c(F)c2)c1 ZINC000893134696 617401104 /nfs/dbraw/zinc/40/11/04/617401104.db2.gz LHBJOTCLKIURGW-UHFFFAOYSA-N 1 0 296.277 1.902 20 5 CDBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000893329409 617583763 /nfs/dbraw/zinc/58/37/63/617583763.db2.gz QOZHIBZJJCFLTN-CMPLNLGQSA-N 1 0 298.364 1.508 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H]2CO)cc1 ZINC000934015956 617853354 /nfs/dbraw/zinc/85/33/54/617853354.db2.gz QIQMVZVGJZRNJM-LBPRGKRZSA-N 1 0 266.297 1.430 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000894654576 619006053 /nfs/dbraw/zinc/00/60/53/619006053.db2.gz DNBYTIXSBKZRPQ-LBPRGKRZSA-N 1 0 293.371 1.862 20 5 CDBDRO Cc1ncoc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000894761326 619050767 /nfs/dbraw/zinc/05/07/67/619050767.db2.gz OGPCQXOOFIDLGF-UHFFFAOYSA-N 1 0 276.296 1.857 20 5 CDBDRO C[NH+](C)CC1(O)CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000894952638 619162583 /nfs/dbraw/zinc/16/25/83/619162583.db2.gz BKRNCSQYGCUHKW-UHFFFAOYSA-N 1 0 298.318 1.022 20 5 CDBDRO CCN(CC)[C@@H](C[NH2+]CC[N+](=O)[O-])c1ccsc1 ZINC000899870280 622496029 /nfs/dbraw/zinc/49/60/29/622496029.db2.gz LKBXLTQQXRIMFK-LBPRGKRZSA-N 1 0 271.386 1.997 20 5 CDBDRO C[NH+](C)CCc1cc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000901398807 624220593 /nfs/dbraw/zinc/22/05/93/624220593.db2.gz JCIYUKBJULTPOL-UHFFFAOYSA-N 1 0 251.242 1.947 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000905261479 626711535 /nfs/dbraw/zinc/71/15/35/626711535.db2.gz HBDMWPDPLZTWJI-LLVKDONJSA-N 1 0 267.304 1.518 20 5 CDBDRO CC(C)(C)OC(=O)C(C)(C)CC[NH2+]CC[N+](=O)[O-] ZINC000905289979 626742103 /nfs/dbraw/zinc/74/21/03/626742103.db2.gz JJOOKRBGGQVMOF-UHFFFAOYSA-N 1 0 260.334 1.611 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000905372931 626789469 /nfs/dbraw/zinc/78/94/69/626789469.db2.gz LTALIAWVIZMXAD-JTQLQIEISA-N 1 0 262.668 1.379 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCO[C@H]2CCOC2)c1 ZINC000905608871 626873262 /nfs/dbraw/zinc/87/32/62/626873262.db2.gz KPLMUNJJEOEEKS-UONOGXRCSA-N 1 0 296.323 1.023 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C/C=C/Cl ZINC000905708484 626935290 /nfs/dbraw/zinc/93/52/90/626935290.db2.gz PGCDCGXKCGEWIG-YVGDHZEHSA-N 1 0 286.715 1.677 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000911622293 629368810 /nfs/dbraw/zinc/36/88/10/629368810.db2.gz DRCOGYWMRGYISF-XBFCOCLRSA-N 1 0 289.335 1.648 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@H]1C ZINC000911724985 629442557 /nfs/dbraw/zinc/44/25/57/629442557.db2.gz PJARWEVAHCZSHU-SECBINFHSA-N 1 0 295.364 1.751 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911755202 629473511 /nfs/dbraw/zinc/47/35/11/629473511.db2.gz PWSYHRHYJHXCBQ-FPMFFAJLSA-N 1 0 289.335 1.567 20 5 CDBDRO CC[C@@H](CO)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000915875576 631848750 /nfs/dbraw/zinc/84/87/50/631848750.db2.gz RZXKXRVUEVHWGV-ZJUUUORDSA-N 1 0 281.312 1.282 20 5 CDBDRO C[NH+](C)CCNC(=S)NCc1cccc([N+](=O)[O-])c1 ZINC000921270936 632909865 /nfs/dbraw/zinc/90/98/65/632909865.db2.gz QMYKRWBLGSKXHI-UHFFFAOYSA-N 1 0 282.369 1.121 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2C[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170309676 1162339925 /nfs/dbraw/zinc/33/99/25/1162339925.db2.gz RJXLOYSWWBDZSH-WZRBSPASSA-N 1 0 294.351 1.895 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@](F)(C[NH3+])C2)n1 ZINC001157812838 1162444210 /nfs/dbraw/zinc/44/42/10/1162444210.db2.gz JNEBGPVHAOXHSE-NSHDSACASA-N 1 0 288.710 1.829 20 5 CDBDRO COc1cc(C)nc(N2C[C@@H](C)[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC001158176603 1162756803 /nfs/dbraw/zinc/75/68/03/1162756803.db2.gz NBPNGRCKXLRHBN-AOOOYVTPSA-N 1 0 280.328 1.493 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001168967725 1161996283 /nfs/dbraw/zinc/99/62/83/1161996283.db2.gz SQDSYMBEEOOXIO-SKDRFNHKSA-N 1 0 253.277 1.756 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2ccncc2)cc1 ZINC000105684061 1163613893 /nfs/dbraw/zinc/61/38/93/1163613893.db2.gz WIQPEIPQXOQNAK-OAHLLOKOSA-N 1 0 287.319 1.856 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001155404122 1167159367 /nfs/dbraw/zinc/15/93/67/1167159367.db2.gz WFWOOFFAFSFAAN-JOYOIKCWSA-N 1 0 298.730 1.578 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)cc1N[C@H]1COCCC12C[NH2+]C2 ZINC001155463833 1167180220 /nfs/dbraw/zinc/18/02/20/1167180220.db2.gz ZBBCLMIETUVFPM-JTQLQIEISA-N 1 0 298.730 1.434 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@]23C[NH2+]C[C@H]2COC3)n1 ZINC001155516645 1167207193 /nfs/dbraw/zinc/20/71/93/1167207193.db2.gz FYJORNNOUNUIRE-FZMZJTMJSA-N 1 0 292.339 1.255 20 5 CDBDRO CO[C@H]1C[NH2+][C@H](C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC001574007063 1170861136 /nfs/dbraw/zinc/86/11/36/1170861136.db2.gz XZDWIEVDFWHYAX-WQAKAFBOSA-N 1 0 293.323 1.149 20 5 CDBDRO O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)[C@H]1CC[NH2+]C1 ZINC001574326936 1170949602 /nfs/dbraw/zinc/94/96/02/1170949602.db2.gz LCCPLIUAIIKMAM-ZETCQYMHSA-N 1 0 285.250 1.099 20 5 CDBDRO C[C@@H](NC(=O)NC[C@@H](C)C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001575985446 1171309753 /nfs/dbraw/zinc/30/97/53/1171309753.db2.gz PWDYTXXCBSFLOZ-VHSXEESVSA-N 1 0 280.328 1.550 20 5 CDBDRO Cc1ccnc(N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000070496729 1171666988 /nfs/dbraw/zinc/66/69/88/1171666988.db2.gz FUVXGBANFQBEND-GHMZBOCLSA-N 1 0 264.329 1.862 20 5 CDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC1([NH3+])CC1 ZINC001578480337 1171930701 /nfs/dbraw/zinc/93/07/01/1171930701.db2.gz FZJPFVZIMIEWRU-UHFFFAOYSA-N 1 0 292.339 1.270 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC001579242630 1172125095 /nfs/dbraw/zinc/12/50/95/1172125095.db2.gz UYDZQCSKWLJOJG-DTWKUNHWSA-N 1 0 294.311 1.557 20 5 CDBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC2(C[NH2+]C2)C1 ZINC001580765354 1172536018 /nfs/dbraw/zinc/53/60/18/1172536018.db2.gz IMUWKCOWRPJASR-UHFFFAOYSA-N 1 0 296.714 1.685 20 5 CDBDRO O=[N+]([O-])c1sccc1N[C@H]1CC2(C[NH2+]C2)n2ccnc21 ZINC001580876118 1172559035 /nfs/dbraw/zinc/55/90/35/1172559035.db2.gz BMLZEDOFGSVXNI-VIFPVBQESA-N 1 0 291.336 1.708 20 5 CDBDRO CCC1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000233046194 1178200336 /nfs/dbraw/zinc/20/03/36/1178200336.db2.gz QNKNFOPBBSCXCC-LBPRGKRZSA-N 1 0 282.344 1.322 20 5 CDBDRO C[C@@H]([NH2+][C@H]1CCN(C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178657933 1182169947 /nfs/dbraw/zinc/16/99/47/1182169947.db2.gz AHAUNYWSHLGNCH-SKDRFNHKSA-N 1 0 263.297 1.476 20 5 CDBDRO CC[N@H+](CCCC(C)(C)C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001753082021 1185049202 /nfs/dbraw/zinc/04/92/02/1185049202.db2.gz YWJIUEMLVLLYHH-CHWSQXEVSA-N 1 0 299.415 1.916 20 5 CDBDRO CC(C)[C@@](C)(O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000313025761 1186705326 /nfs/dbraw/zinc/70/53/26/1186705326.db2.gz POCPHYXJRNAZNS-KGLIPLIRSA-N 1 0 282.340 1.625 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000357630734 719399556 /nfs/dbraw/zinc/39/95/56/719399556.db2.gz QJKCWZZGUDTJOV-VXGBXAGGSA-N 1 0 292.339 1.126 20 5 CDBDRO COc1cc(C)nc(N2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC001165040478 721890292 /nfs/dbraw/zinc/89/02/92/721890292.db2.gz XEVYPBMLRZYMHK-NSHDSACASA-N 1 0 294.355 1.837 20 5 CDBDRO C[N@H+](CCO)CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000884826096 726017955 /nfs/dbraw/zinc/01/79/55/726017955.db2.gz HBYGRGVBOKJTAO-UHFFFAOYSA-N 1 0 290.323 1.479 20 5 CDBDRO Cn1cc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000818963574 726036405 /nfs/dbraw/zinc/03/64/05/726036405.db2.gz VLJTYDHAVJAMBA-CQSZACIVSA-N 1 0 290.323 1.194 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(Cn3nccc3[N+](=O)[O-])CC[C@H]21 ZINC000246928924 726052127 /nfs/dbraw/zinc/05/21/27/726052127.db2.gz HBHNNMFBTHPEDP-NWDGAFQWSA-N 1 0 279.344 1.165 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2CCOCC2)c1 ZINC000818989665 726061855 /nfs/dbraw/zinc/06/18/55/726061855.db2.gz BPQBCAYCNZNBNN-CQSZACIVSA-N 1 0 280.324 1.644 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCS(C)(=O)=O ZINC000786814399 726117646 /nfs/dbraw/zinc/11/76/46/726117646.db2.gz WKMMDXWHLRIFLC-DHZHZOJOSA-N 1 0 298.364 1.632 20 5 CDBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886277622 726151553 /nfs/dbraw/zinc/15/15/53/726151553.db2.gz WVYMVFYUKXENLI-DGCLKSJQSA-N 1 0 279.340 1.973 20 5 CDBDRO CN(Cc1cccnc1[N+](=O)[O-])[C@H](C[NH3+])C1CC1 ZINC000886837653 726167104 /nfs/dbraw/zinc/16/71/04/726167104.db2.gz LCWULFMDBZRHAZ-LLVKDONJSA-N 1 0 250.302 1.159 20 5 CDBDRO CC[C@H](CCO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843079625 726196732 /nfs/dbraw/zinc/19/67/32/726196732.db2.gz ZYUWXCGICIPUHS-DGCLKSJQSA-N 1 0 268.313 1.379 20 5 CDBDRO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC000930372371 726225123 /nfs/dbraw/zinc/22/51/23/726225123.db2.gz KWCUZMPRSNUFNT-AAEUAGOBSA-N 1 0 280.324 1.273 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(F)CC1 ZINC000880238967 726251864 /nfs/dbraw/zinc/25/18/64/726251864.db2.gz PDZUCUOYRNLXJY-UHFFFAOYSA-N 1 0 256.281 1.534 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000858298494 726285991 /nfs/dbraw/zinc/28/59/91/726285991.db2.gz SNUQQDRHRVQWBI-GFCCVEGCSA-N 1 0 299.758 1.404 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000878314986 726288554 /nfs/dbraw/zinc/28/85/54/726288554.db2.gz CBNPSUILWPVQMD-VIFPVBQESA-N 1 0 292.261 1.984 20 5 CDBDRO C[C@@H](CNc1nc2ccccn2c1[N+](=O)[O-])C[NH+](C)C ZINC000813615196 726352109 /nfs/dbraw/zinc/35/21/09/726352109.db2.gz OOZRKMMYGONEFV-JTQLQIEISA-N 1 0 277.328 1.852 20 5 CDBDRO C[C@H](COC(=O)c1ccc([N+](=O)[O-])n1C)[NH+]1CCCCC1 ZINC000847959771 726402154 /nfs/dbraw/zinc/40/21/54/726402154.db2.gz JRLZPRRLMUJGFZ-LLVKDONJSA-N 1 0 295.339 1.965 20 5 CDBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000776771386 726839338 /nfs/dbraw/zinc/83/93/38/726839338.db2.gz GXMKYMRVCJGFJQ-LBPRGKRZSA-N 1 0 280.328 1.640 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000818015830 726841297 /nfs/dbraw/zinc/84/12/97/726841297.db2.gz JFEWDXAUMSPYGN-HNNXBMFYSA-N 1 0 289.335 1.871 20 5 CDBDRO COc1ccc(NC(=O)C[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000136474930 726858623 /nfs/dbraw/zinc/85/86/23/726858623.db2.gz LATAWFQXHCXHSK-JTQLQIEISA-N 1 0 279.296 1.669 20 5 CDBDRO O=[N+]([O-])CCN[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000930195841 726861807 /nfs/dbraw/zinc/86/18/07/726861807.db2.gz UHBNFYPAOXHOPS-CQSZACIVSA-N 1 0 263.341 1.690 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000839721473 726876938 /nfs/dbraw/zinc/87/69/38/726876938.db2.gz MPDJMXOUNJBVRQ-HBJVGIJOSA-N 1 0 295.383 1.421 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876527136 726889160 /nfs/dbraw/zinc/88/91/60/726889160.db2.gz TYGLFCWWBNTRKZ-LBPRGKRZSA-N 1 0 291.351 1.893 20 5 CDBDRO C[C@](C[NH3+])(NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000127284906 726930109 /nfs/dbraw/zinc/93/01/09/726930109.db2.gz WCPZRFVNQUSCKB-CYBMUJFWSA-N 1 0 281.287 1.591 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879530834 726942235 /nfs/dbraw/zinc/94/22/35/726942235.db2.gz KFWCKWPZIMIBNP-BETUJISGSA-N 1 0 276.340 1.998 20 5 CDBDRO [NH3+]C1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000036754295 726943479 /nfs/dbraw/zinc/94/34/79/726943479.db2.gz PEEZQLMXVDYPIA-UHFFFAOYSA-N 1 0 253.277 1.657 20 5 CDBDRO Cc1cc(NC[C@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000092027571 726980306 /nfs/dbraw/zinc/98/03/06/726980306.db2.gz HZVXMCQYGLWZNG-JTQLQIEISA-N 1 0 250.302 1.710 20 5 CDBDRO Cn1cc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000818963569 726994568 /nfs/dbraw/zinc/99/45/68/726994568.db2.gz VLJTYDHAVJAMBA-AWEZNQCLSA-N 1 0 290.323 1.194 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782617872 727026905 /nfs/dbraw/zinc/02/69/05/727026905.db2.gz GHUPAVHICMPPMA-SMDDNHRTSA-N 1 0 278.308 1.288 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[C@H](C[NH+](C)C)C1 ZINC000749391227 727095641 /nfs/dbraw/zinc/09/56/41/727095641.db2.gz BUVNNZLPOJUNKW-SNVBAGLBSA-N 1 0 267.333 1.106 20 5 CDBDRO COC[C@@H](CO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866351082 727177704 /nfs/dbraw/zinc/17/77/04/727177704.db2.gz LISSWBLCLGVSPE-JOYOIKCWSA-N 1 0 286.303 1.262 20 5 CDBDRO Cc1c(C(=O)N[C@H](C)CC[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000834453020 727338627 /nfs/dbraw/zinc/33/86/27/727338627.db2.gz MQVGSTNXHBRBIZ-SSDOTTSWSA-N 1 0 296.283 1.279 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000839728622 727357315 /nfs/dbraw/zinc/35/73/15/727357315.db2.gz QKTGCFCKDUVEQL-ZRJCITRHSA-N 1 0 291.351 1.459 20 5 CDBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1C[NH2+]C1 ZINC000090289864 727392844 /nfs/dbraw/zinc/39/28/44/727392844.db2.gz BMDNGFVGXJTIRM-UHFFFAOYSA-N 1 0 250.258 1.030 20 5 CDBDRO CC[C@H]([NH2+]C)c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000854135208 727428877 /nfs/dbraw/zinc/42/88/77/727428877.db2.gz YGGKDYXZJSAHOD-VIFPVBQESA-N 1 0 277.284 1.898 20 5 CDBDRO C[NH+](C)C(C)(C)CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000864525672 727828768 /nfs/dbraw/zinc/82/87/68/727828768.db2.gz IRCFNHXYSYOORE-UHFFFAOYSA-N 1 0 297.330 1.733 20 5 CDBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c1 ZINC000719064339 728068939 /nfs/dbraw/zinc/06/89/39/728068939.db2.gz DJZDKXLWXVMHFF-GFCCVEGCSA-N 1 0 278.308 1.790 20 5 CDBDRO O=C(N[C@H]1CC[NH2+]C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000126673726 728083838 /nfs/dbraw/zinc/08/38/38/728083838.db2.gz ZKEYXEKUQAWQAD-ZETCQYMHSA-N 1 0 269.688 1.340 20 5 CDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000226723556 728144695 /nfs/dbraw/zinc/14/46/95/728144695.db2.gz IDNKVKHMPGLBQW-JHJVBQTASA-N 1 0 280.324 1.377 20 5 CDBDRO C[C@H](C[NH3+])c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000822646286 728214899 /nfs/dbraw/zinc/21/48/99/728214899.db2.gz DTYHAPHWHMNXKE-MRVPVSSYSA-N 1 0 262.269 1.631 20 5 CDBDRO COC[C@H](O)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866353297 728267626 /nfs/dbraw/zinc/26/76/26/728267626.db2.gz FYJLNUNTBQSMSY-JOYOIKCWSA-N 1 0 286.303 1.262 20 5 CDBDRO Cc1cc(C(=O)N2CC[NH2+]C(C)(C)C2)c(N)c([N+](=O)[O-])c1 ZINC000817995166 728314935 /nfs/dbraw/zinc/31/49/35/728314935.db2.gz ZIQBKZKKKNBNEZ-UHFFFAOYSA-N 1 0 292.339 1.309 20 5 CDBDRO C[NH2+]C[C@@H](C)c1noc(-c2n[nH]c(C(C)C)c2[N+](=O)[O-])n1 ZINC000842580182 728321179 /nfs/dbraw/zinc/32/11/79/728321179.db2.gz MGAQVQAHLAVRIF-SSDOTTSWSA-N 1 0 294.315 1.814 20 5 CDBDRO CCN(CC)C[C@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158637799 728336716 /nfs/dbraw/zinc/33/67/16/728336716.db2.gz FBDQIUUTUGPCBF-WFASDCNBSA-N 1 0 295.383 1.948 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCOCC2)cc1 ZINC000776579132 728339464 /nfs/dbraw/zinc/33/94/64/728339464.db2.gz JZMFPLWHXSTKNL-ZDUSSCGKSA-N 1 0 266.297 1.351 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[NH+](C)C ZINC000047846437 1166417033 /nfs/dbraw/zinc/41/70/33/1166417033.db2.gz NRNWJBRSMQYVST-VIFPVBQESA-N 1 0 280.328 1.316 20 5 CDBDRO [NH3+]CCCOCCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001580301264 1167716816 /nfs/dbraw/zinc/71/68/16/1167716816.db2.gz XFRNFOGHJIWTFL-UHFFFAOYSA-N 1 0 294.355 1.646 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001173222165 912304314 /nfs/dbraw/zinc/30/43/14/912304314.db2.gz PRQYVKLUTJCPEM-OSAQELSMSA-N 1 0 294.351 1.201 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]1CO ZINC001173221758 912304538 /nfs/dbraw/zinc/30/45/38/912304538.db2.gz LUHRQYXRGLOQCI-RISCZKNCSA-N 1 0 264.325 1.983 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1[C@@H]2COC[C@@H]21 ZINC001173228750 912319558 /nfs/dbraw/zinc/31/95/58/912319558.db2.gz KEOMIXZCPSNMNK-QQUHWDOBSA-N 1 0 262.309 1.760 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1COC1 ZINC001173213568 912337951 /nfs/dbraw/zinc/33/79/51/912337951.db2.gz GIASVPHCURAWCS-JTQLQIEISA-N 1 0 250.298 1.762 20 5 CDBDRO C[C@@](O)(C[NH2+]CCc1ccccc1[N+](=O)[O-])C(F)F ZINC000698647249 912613802 /nfs/dbraw/zinc/61/38/02/912613802.db2.gz SCQUFRPYRDDSMW-GFCCVEGCSA-N 1 0 274.267 1.743 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC1C[NH2+]C1 ZINC000262047510 896722148 /nfs/dbraw/zinc/72/21/48/896722148.db2.gz UQRMXXFGEYTYNN-UHFFFAOYSA-N 1 0 283.715 1.126 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2cc(C[NH3+])cn2)c1 ZINC001168259242 908005144 /nfs/dbraw/zinc/00/51/44/908005144.db2.gz NICKKQOVZDSGAO-UHFFFAOYSA-N 1 0 276.252 1.026 20 5 CDBDRO CC(C)([NH3+])Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247616328 909546774 /nfs/dbraw/zinc/54/67/74/909546774.db2.gz ZNXXAOUQFLDVLH-UHFFFAOYSA-N 1 0 281.247 1.459 20 5 CDBDRO C[C@@H](CO)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897330 912035506 /nfs/dbraw/zinc/03/55/06/912035506.db2.gz ZHWZODMJSKSMQG-GWCFXTLKSA-N 1 0 264.325 1.813 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@H](O)C1)CC2 ZINC001172910389 912103421 /nfs/dbraw/zinc/10/34/21/912103421.db2.gz YQMXSOOGRIQQSA-UKRRQHHQSA-N 1 0 276.336 1.909 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2cnc(C[NH3+])c2)c1 ZINC001162304744 922245015 /nfs/dbraw/zinc/24/50/15/922245015.db2.gz YLSTVSGRDMBELS-UHFFFAOYSA-N 1 0 276.252 1.026 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](Nc2ncnc(Cl)c2[N+](=O)[O-])C1 ZINC001162383770 922423744 /nfs/dbraw/zinc/42/37/44/922423744.db2.gz ASJMTXMVMRULJD-RNFRBKRXSA-N 1 0 271.708 1.720 20 5 CDBDRO O=C1NCCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000839195430 936908451 /nfs/dbraw/zinc/90/84/51/936908451.db2.gz JDRYRNNIOPUXRL-SNVBAGLBSA-N 1 0 297.742 1.864 20 5 CDBDRO CCc1ccc(O)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001230290307 925471252 /nfs/dbraw/zinc/47/12/52/925471252.db2.gz GVWAMVGNJGPQIT-CYBMUJFWSA-O 1 0 282.360 1.317 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2nc([C@H]3CCC[NH2+]C3)no2)[nH]1 ZINC000842671429 937070392 /nfs/dbraw/zinc/07/03/92/937070392.db2.gz UFSKJUXKOPQFLR-ZETCQYMHSA-N 1 0 263.257 1.440 20 5 CDBDRO CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001086008259 926598008 /nfs/dbraw/zinc/59/80/08/926598008.db2.gz JKBWUOVMQZKACR-BJHJDKERSA-N 1 0 277.324 1.599 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2C=C[C@H](CO)C2)c1 ZINC000843079936 937110391 /nfs/dbraw/zinc/11/03/91/937110391.db2.gz NXJKNFRWHJBKHX-ZKYQVNSYSA-N 1 0 278.308 1.155 20 5 CDBDRO [NH3+][C@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000843372181 937144374 /nfs/dbraw/zinc/14/43/74/937144374.db2.gz RAOOGVGPUQAGFB-GFCCVEGCSA-N 1 0 275.308 1.611 20 5 CDBDRO [NH3+][C@@H]1CCc2nn(-c3nc(Cl)ccc3[N+](=O)[O-])cc2C1 ZINC001168816167 927448617 /nfs/dbraw/zinc/44/86/17/927448617.db2.gz OURIPROYYKQICR-MRVPVSSYSA-N 1 0 293.714 1.645 20 5 CDBDRO CC(C)(C)OC(=O)CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168965069 927587795 /nfs/dbraw/zinc/58/77/95/927587795.db2.gz XRSGTRRVYRKNCJ-QWRGUYRKSA-N 1 0 272.345 1.753 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CC(O)(C(F)(F)F)C2)C1 ZINC001168974694 927598592 /nfs/dbraw/zinc/59/85/92/927598592.db2.gz SLRRTRIUZDKZME-LGUIWLBCSA-N 1 0 282.262 1.477 20 5 CDBDRO COC(=O)c1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)nc1 ZINC001168991373 927599313 /nfs/dbraw/zinc/59/93/13/927599313.db2.gz GMZHJQDFDYOKJA-JQWIXIFHSA-N 1 0 293.323 1.403 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CN(CC(F)(F)F)C2)C1 ZINC001169001998 927606076 /nfs/dbraw/zinc/60/60/76/927606076.db2.gz IYGXGBALISCNKW-DTWKUNHWSA-N 1 0 281.278 1.268 20 5 CDBDRO COc1ccccc1[C@@H](CO)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169002746 927606633 /nfs/dbraw/zinc/60/66/33/927606633.db2.gz MCWVOSJAMFRICE-SGMGOOAPSA-N 1 0 294.351 1.764 20 5 CDBDRO COC(=O)C12CCC([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)(CC1)C2 ZINC001169006520 927611281 /nfs/dbraw/zinc/61/12/81/927611281.db2.gz YITVBMKTNJFZLW-XOEAPDPESA-N 1 0 296.367 1.897 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(COC3)CC2)C1 ZINC001169008724 927613610 /nfs/dbraw/zinc/61/36/10/927613610.db2.gz UJJQZEIZZQCMIK-NEPJUHHUSA-N 1 0 254.330 1.544 20 5 CDBDRO C[C@]1(CO)CC(F)(F)CN1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169010267 927614311 /nfs/dbraw/zinc/61/43/11/927614311.db2.gz BZYZDPHCOMTLPU-GMTAPVOTSA-N 1 0 278.299 1.524 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)C1 ZINC001169027859 927632897 /nfs/dbraw/zinc/63/28/97/927632897.db2.gz RGALLTCLYFNSDZ-KBPBESRZSA-N 1 0 267.373 1.459 20 5 CDBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036516 927644939 /nfs/dbraw/zinc/64/49/39/927644939.db2.gz GHPIIHXTQFQFOX-UTUOFQBUSA-N 1 0 256.346 1.667 20 5 CDBDRO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169017528 927656066 /nfs/dbraw/zinc/65/60/66/927656066.db2.gz AIKQHDHJJDXFOD-RNJOBUHISA-N 1 0 255.362 1.456 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H](N(c2ccccn2)[C@@H]2CC[NH2+]C2)C1 ZINC001169053853 927672578 /nfs/dbraw/zinc/67/25/78/927672578.db2.gz JWXSYFIOEVUILL-MELADBBJSA-N 1 0 290.367 1.695 20 5 CDBDRO Cc1c(F)cc([N+](=O)[O-])cc1-n1cncc1C[C@@H]([NH3+])CO ZINC001169075444 927694138 /nfs/dbraw/zinc/69/41/38/927694138.db2.gz HCNYBXBPSSVKLX-SECBINFHSA-N 1 0 294.286 1.090 20 5 CDBDRO Cc1cc(=NOCC[NH3+])[nH]c2ccc([N+](=O)[O-])cc12 ZINC001156291339 927923973 /nfs/dbraw/zinc/92/39/73/927923973.db2.gz AJDIGWCATXTUBW-UHFFFAOYSA-N 1 0 262.269 1.754 20 5 CDBDRO O=[N+]([O-])c1cnc2cccc(NCC[C@H]3CCC[NH2+]3)n21 ZINC001169569623 928186448 /nfs/dbraw/zinc/18/64/48/928186448.db2.gz PNGFYXBLGQINJW-SNVBAGLBSA-N 1 0 275.312 1.797 20 5 CDBDRO O=[N+]([O-])c1nccnc1NCC12CC[NH+](CC1)CC2 ZINC001169793488 928443228 /nfs/dbraw/zinc/44/32/28/928443228.db2.gz SIYUEERXGINZOA-UHFFFAOYSA-N 1 0 263.301 1.283 20 5 CDBDRO COc1ccnc(N(C)C(C)(C)C[NH3+])c1[N+](=O)[O-] ZINC001170053696 929193537 /nfs/dbraw/zinc/19/35/37/929193537.db2.gz XUTKZYMRTRIKEV-UHFFFAOYSA-N 1 0 254.290 1.172 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C)C(C)(C)C[NH3+])c1 ZINC001170059841 929247013 /nfs/dbraw/zinc/24/70/13/929247013.db2.gz DEVOQOVKQUUJBV-UHFFFAOYSA-N 1 0 281.312 1.555 20 5 CDBDRO C[C@@H]([NH3+])CN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000863566189 929570667 /nfs/dbraw/zinc/57/06/67/929570667.db2.gz DQZJYOJODNZMKN-NXEZZACHSA-N 1 0 280.328 1.201 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H]2C[NH2+]C[C@H]2CO)c2ccccc21 ZINC001170784788 930008112 /nfs/dbraw/zinc/00/81/12/930008112.db2.gz VDQNGLMYINGDCJ-HZMBPMFUSA-N 1 0 287.319 1.740 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000882486345 930013707 /nfs/dbraw/zinc/01/37/07/930013707.db2.gz QLDAOHKUHZFHBM-NSHDSACASA-N 1 0 293.323 1.427 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001115921334 937424665 /nfs/dbraw/zinc/42/46/65/937424665.db2.gz YZDKGUZVWWKFLG-NSHDSACASA-N 1 0 292.339 1.244 20 5 CDBDRO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000886033073 930792528 /nfs/dbraw/zinc/79/25/28/930792528.db2.gz RCPCTYFSMFKOTD-JTQLQIEISA-N 1 0 251.286 1.458 20 5 CDBDRO CC[C@H](C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(N)=O ZINC000887057383 931011323 /nfs/dbraw/zinc/01/13/23/931011323.db2.gz CLYOOYFQZNCMOK-UFBFGSQYSA-N 1 0 283.303 1.724 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NC[C@@H](C1CC1)[NH+](C)C ZINC001117252232 937504344 /nfs/dbraw/zinc/50/43/44/937504344.db2.gz UORKCELQHMTYGX-NSHDSACASA-N 1 0 264.329 1.472 20 5 CDBDRO CC(C)([NH3+])CNc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001171188503 931840798 /nfs/dbraw/zinc/84/07/98/931840798.db2.gz LGIVRBQQGBWPQN-UHFFFAOYSA-N 1 0 260.681 1.031 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC001118205064 937602710 /nfs/dbraw/zinc/60/27/10/937602710.db2.gz HKPVXJNBFLDWSJ-IUCAKERBSA-N 1 0 280.328 1.492 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC001154986280 937616594 /nfs/dbraw/zinc/61/65/94/937616594.db2.gz QWLCUGOAKYCUJL-IUCAKERBSA-N 1 0 281.316 1.384 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2CCCC[C@H]2F)nc1C1C[NH2+]C1 ZINC001155065094 937629771 /nfs/dbraw/zinc/62/97/71/937629771.db2.gz PQXQYDSEHWSTTO-NXEZZACHSA-N 1 0 295.318 1.764 20 5 CDBDRO C[C@@H]1C[C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C[NH2+]1 ZINC001155102213 937635564 /nfs/dbraw/zinc/63/55/64/937635564.db2.gz RDZCPYALNKQILM-NXEZZACHSA-N 1 0 287.323 1.948 20 5 CDBDRO O=[N+]([O-])CC[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000929805582 933271490 /nfs/dbraw/zinc/27/14/90/933271490.db2.gz FXADRVADXVFKKN-OAHLLOKOSA-N 1 0 278.352 1.987 20 5 CDBDRO O=[N+]([O-])CC[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000930530133 933396245 /nfs/dbraw/zinc/39/62/45/933396245.db2.gz NFPYADYSPJSIQE-HNNXBMFYSA-N 1 0 278.352 1.580 20 5 CDBDRO C[C@H]1COC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000688047981 934529005 /nfs/dbraw/zinc/52/90/05/934529005.db2.gz MGPDMNFNJYHFPS-GXFFZTMASA-N 1 0 250.298 1.762 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001120558561 937809982 /nfs/dbraw/zinc/80/99/82/937809982.db2.gz HFTIUJYTCAAKHP-BDAKNGLRSA-N 1 0 266.301 1.302 20 5 CDBDRO CN(C)/C=C/c1cc(N2CC[C@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC001156232754 938338987 /nfs/dbraw/zinc/33/89/87/938338987.db2.gz JCEBAPFIZKCYEM-TZNOJPMFSA-N 1 0 277.328 1.060 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N(C)[C@@]2(C)CCC[NH2+]C2)n1 ZINC001156957240 938438955 /nfs/dbraw/zinc/43/89/55/938438955.db2.gz VMJILQIUSMJGRT-LBPRGKRZSA-N 1 0 299.762 1.925 20 5 CDBDRO Cc1cnc(N2C[C@H]3[C@H](C2)CCC[N@H+]3C)c([N+](=O)[O-])c1 ZINC001157260249 938469973 /nfs/dbraw/zinc/46/99/73/938469973.db2.gz IQCPCKYANYOSFI-AAEUAGOBSA-N 1 0 276.340 1.829 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(c3cccc([N+](=O)[O-])n3)C[C@@H]21 ZINC001157261596 938470925 /nfs/dbraw/zinc/47/09/25/938470925.db2.gz SCABSFFFQNKKRW-QWRGUYRKSA-N 1 0 262.313 1.520 20 5 CDBDRO COc1nc(N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001157263005 938471333 /nfs/dbraw/zinc/47/13/33/938471333.db2.gz ZVDLXEWSAIYETP-ZYHUDNBSSA-N 1 0 292.339 1.529 20 5 CDBDRO Cc1nc(Cl)nc(N[C@H]2C[NH2+]CC[C@H]2F)c1[N+](=O)[O-] ZINC001157445708 938492703 /nfs/dbraw/zinc/49/27/03/938492703.db2.gz MWBCRBNUKSFHKE-RQJHMYQMSA-N 1 0 289.698 1.459 20 5 CDBDRO C[C@H]1[C@H]([NH3+])CCCN1c1nc(Cl)ncc1[N+](=O)[O-] ZINC001157734972 938538088 /nfs/dbraw/zinc/53/80/88/938538088.db2.gz ZVEDIKUCXPPKEB-NKWVEPMBSA-N 1 0 271.708 1.354 20 5 CDBDRO O=C(NCCC[NH2+]CCCC1CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767263 938542708 /nfs/dbraw/zinc/54/27/08/938542708.db2.gz KBZUSXULZKWVIZ-ZIAGYGMSSA-N 1 0 297.399 1.718 20 5 CDBDRO CCN(c1c(C)c([N+](=O)[O-])cc[n+]1[O-])[C@H]1CCC[NH2+]C1 ZINC001158204633 938595317 /nfs/dbraw/zinc/59/53/17/938595317.db2.gz HOIUGKPOBJVGPC-NSHDSACASA-N 1 0 280.328 1.115 20 5 CDBDRO C[C@@]1(C[NH3+])CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC001158675559 938649279 /nfs/dbraw/zinc/64/92/79/938649279.db2.gz OFXQALYBINZKMN-LBPRGKRZSA-N 1 0 268.292 1.694 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ccnc1NC[C@H]1COCC[NH2+]1 ZINC001159036847 938694421 /nfs/dbraw/zinc/69/44/21/938694421.db2.gz NWPMHOCPFKZDLI-ZETCQYMHSA-N 1 0 272.692 1.044 20 5 CDBDRO CN(CC[NH3+])CCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001159439729 938728016 /nfs/dbraw/zinc/72/80/16/938728016.db2.gz XWDFBGKPHNPNTN-UHFFFAOYSA-N 1 0 289.339 1.445 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1cc([N+](=O)[O-])cc(Cl)n1 ZINC001159739367 938748128 /nfs/dbraw/zinc/74/81/28/938748128.db2.gz DTSWRVLHONWCTI-VIFPVBQESA-N 1 0 260.681 1.112 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001159744435 938749122 /nfs/dbraw/zinc/74/91/22/938749122.db2.gz VOGAKCZEXUOHNJ-LBPRGKRZSA-N 1 0 277.284 1.007 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(Nc2ccc(C[NH3+])nc2)n1 ZINC001160402353 938784460 /nfs/dbraw/zinc/78/44/60/938784460.db2.gz PYSYNEIMPOQNRL-UHFFFAOYSA-N 1 0 260.257 1.291 20 5 CDBDRO Cc1nc(NCc2ccccc2C[NH3+])ncc1[N+](=O)[O-] ZINC001160907809 938841600 /nfs/dbraw/zinc/84/16/00/938841600.db2.gz ALOOGNBRJIPOEX-UHFFFAOYSA-N 1 0 273.296 1.764 20 5 CDBDRO Cc1nc(Cl)nc(NC/C=C/C[NH3+])c1[N+](=O)[O-] ZINC001160977027 938853395 /nfs/dbraw/zinc/85/33/95/938853395.db2.gz IHPCHWRNVZJPDZ-NSCUHMNNSA-N 1 0 257.681 1.273 20 5 CDBDRO [NH3+]Cc1cn(-c2ccc3nsnc3c2[N+](=O)[O-])cn1 ZINC001162304001 938976074 /nfs/dbraw/zinc/97/60/74/938976074.db2.gz DKOSWOHIJGEWMM-UHFFFAOYSA-N 1 0 276.281 1.244 20 5 CDBDRO CCOc1cc(-n2cnc(C[NH3+])c2)ccc1[N+](=O)[O-] ZINC001162304326 938976388 /nfs/dbraw/zinc/97/63/88/938976388.db2.gz GDYYUGVRCJBOSQ-UHFFFAOYSA-N 1 0 262.269 1.638 20 5 CDBDRO C[N@@H+]1CCC[C@](C)(Nc2ccc([N+](=O)[O-])c(N)n2)C1 ZINC001162336479 939027119 /nfs/dbraw/zinc/02/71/19/939027119.db2.gz BQCLSTYHPOHPAE-LBPRGKRZSA-N 1 0 265.317 1.468 20 5 CDBDRO Nc1nc(NC[C@]2(CC3CC3)CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC001162350279 939033565 /nfs/dbraw/zinc/03/35/65/939033565.db2.gz AXVUFRUNPDCSNC-CQSZACIVSA-N 1 0 291.355 1.906 20 5 CDBDRO CC(=O)Nc1ccc(NC[C@H]2C[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC001162556598 939086570 /nfs/dbraw/zinc/08/65/70/939086570.db2.gz MRAZQPOSCBHFIA-MWLCHTKSSA-N 1 0 292.339 1.963 20 5 CDBDRO Cn1cc(NC[C@@]2(F)CCCC[NH2+]C2)cc([N+](=O)[O-])c1=O ZINC001162581150 939092882 /nfs/dbraw/zinc/09/28/82/939092882.db2.gz ZOCGQNXTNOOBQO-CYBMUJFWSA-N 1 0 298.318 1.187 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)c1 ZINC001162798921 939144931 /nfs/dbraw/zinc/14/49/31/939144931.db2.gz VVXITURIFYEZIN-SZEHBUNVSA-N 1 0 296.714 1.068 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(NC[C@@H]2Cc3ccccc3C[NH2+]2)n1 ZINC001163272434 939237944 /nfs/dbraw/zinc/23/79/44/939237944.db2.gz QSOMKOZNOPLZNB-ZDUSSCGKSA-N 1 0 299.334 1.820 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NCC2([NH3+])CCC2)n1 ZINC001163320975 939246457 /nfs/dbraw/zinc/24/64/57/939246457.db2.gz GXJMGGADALSUSN-UHFFFAOYSA-N 1 0 271.708 1.640 20 5 CDBDRO O=[N+]([O-])c1cnc2cccc(N[C@H]3C[NH+]4CCC3CC4)n21 ZINC001163394951 939261822 /nfs/dbraw/zinc/26/18/22/939261822.db2.gz NFSKQLZUZBYKFX-NSHDSACASA-N 1 0 287.323 1.749 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)cn1 ZINC001163650512 939298230 /nfs/dbraw/zinc/29/82/30/939298230.db2.gz PWNGLSFUTVVOTP-GXFFZTMASA-N 1 0 293.327 1.098 20 5 CDBDRO C[NH2+]C1CN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)C1 ZINC001163705425 939311518 /nfs/dbraw/zinc/31/15/18/939311518.db2.gz NYEPYWQCICSBDJ-UHFFFAOYSA-N 1 0 293.714 1.599 20 5 CDBDRO COc1ccc(N[C@H](C)C[NH+](C)C)nc1[N+](=O)[O-] ZINC001163771696 939327137 /nfs/dbraw/zinc/32/71/37/939327137.db2.gz FUERAFSJWHWRGL-MRVPVSSYSA-N 1 0 254.290 1.360 20 5 CDBDRO COc1cnc(N2C[C@H](C)CC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001164069372 939404525 /nfs/dbraw/zinc/40/45/25/939404525.db2.gz JWINVHVJXMWASW-ZJUUUORDSA-N 1 0 280.328 1.562 20 5 CDBDRO COc1cc(N2CC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1C ZINC001164281414 939445517 /nfs/dbraw/zinc/44/55/17/939445517.db2.gz BNMPWEDPJSFULX-SECBINFHSA-N 1 0 251.286 1.449 20 5 CDBDRO Cc1c(NOCC[NH3+])ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001164428630 939472657 /nfs/dbraw/zinc/47/26/57/939472657.db2.gz GCYKMYFDAXRYRZ-UHFFFAOYSA-N 1 0 256.218 1.114 20 5 CDBDRO CC(C)(C)OC(=O)c1ccc(NOCC[NH3+])cc1[N+](=O)[O-] ZINC001164428439 939472780 /nfs/dbraw/zinc/47/27/80/939472780.db2.gz DJNPZNAFHDEEDX-UHFFFAOYSA-N 1 0 297.311 1.852 20 5 CDBDRO C[NH+](C)C[C@H]1CCCN1c1cccc([N+](=O)[O-])n1 ZINC001165070933 939506040 /nfs/dbraw/zinc/50/60/40/939506040.db2.gz AMFIPQCQGHNKMZ-SNVBAGLBSA-N 1 0 250.302 1.520 20 5 CDBDRO CC(C)[N@@H+]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C[C@H]1C ZINC001165199812 939522904 /nfs/dbraw/zinc/52/29/04/939522904.db2.gz NNGMFNMHGZPROD-SNVBAGLBSA-N 1 0 279.344 1.491 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001165387373 939556019 /nfs/dbraw/zinc/55/60/19/939556019.db2.gz MEVYOOYDSFTZOD-PSASIEDQSA-N 1 0 268.704 1.584 20 5 CDBDRO CN(C)/C=C/c1cc(N2C[C@@H]([NH3+])[C@@H](F)C2)ncc1[N+](=O)[O-] ZINC001166929862 939651607 /nfs/dbraw/zinc/65/16/07/939651607.db2.gz DCXZIHBWZYGORG-MJKAUQOVSA-N 1 0 295.318 1.008 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[NH2+]C2(CCCCC2)C1 ZINC000400760644 940855734 /nfs/dbraw/zinc/85/57/34/940855734.db2.gz YEDWWBJWEQQCSO-UHFFFAOYSA-N 1 0 279.344 1.441 20 5 CDBDRO CCn1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])nn1 ZINC000404470481 940963459 /nfs/dbraw/zinc/96/34/59/940963459.db2.gz QGFOSIIPFZCPRG-UHFFFAOYSA-N 1 0 275.312 1.539 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@](C)([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000405777830 940996817 /nfs/dbraw/zinc/99/68/17/940996817.db2.gz BZYIAQPOUCTJCW-ZDUSSCGKSA-N 1 0 263.297 1.467 20 5 CDBDRO C[C@@H]([NH3+])C(=O)Nc1cc2nc3ccccc3nc2cc1N ZINC001218858018 941280142 /nfs/dbraw/zinc/28/01/42/941280142.db2.gz UDFNDBXGQWTUMB-MRVPVSSYSA-N 1 0 281.319 1.651 20 5 CDBDRO Cc1cccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)c1C ZINC001223032799 941651688 /nfs/dbraw/zinc/65/16/88/941651688.db2.gz WFWKFIFRSHAHJN-OAHLLOKOSA-N 1 0 280.388 1.804 20 5 CDBDRO CCOC(=O)N1CCC[C@H](OCCC[N+](C)(C)C)C1 ZINC001224620115 941776756 /nfs/dbraw/zinc/77/67/56/941776756.db2.gz TXIZWKHNZCUHOF-ZDUSSCGKSA-N 1 0 273.397 1.720 20 5 CDBDRO Cc1cccc(CCOC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001224866771 941800138 /nfs/dbraw/zinc/80/01/38/941800138.db2.gz AIFCGRKSNUMNRJ-OAHLLOKOSA-N 1 0 280.388 1.538 20 5 CDBDRO COCc1cc(O[C@H](C)C[N+](C)(C)C)nc(SC)n1 ZINC001226166745 941961283 /nfs/dbraw/zinc/96/12/83/941961283.db2.gz WUAUDTWVYZAUCB-SNVBAGLBSA-N 1 0 286.421 1.818 20 5 CDBDRO COC(=O)Cc1ccc(OC)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001226373505 941993994 /nfs/dbraw/zinc/99/39/94/941993994.db2.gz QWYTUJGKHKCPNY-LBPRGKRZSA-N 1 0 296.387 1.884 20 5 CDBDRO CCc1nc(C)ccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001226413824 941999825 /nfs/dbraw/zinc/99/98/25/941999825.db2.gz ZUPNWMHXHDKYND-GFCCVEGCSA-N 1 0 281.376 1.315 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C(N)=S)cc1 ZINC001226654166 942042012 /nfs/dbraw/zinc/04/20/12/942042012.db2.gz CECJINPRNPMXES-SNVBAGLBSA-O 1 0 253.391 1.794 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(Cl)n1 ZINC001227930606 942245060 /nfs/dbraw/zinc/24/50/60/942245060.db2.gz RGNQVTNBOQFDBC-SECBINFHSA-N 1 0 273.740 1.098 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C(N)=O)c(Cl)c1 ZINC001227955703 942248307 /nfs/dbraw/zinc/24/83/07/942248307.db2.gz WBSCJNAIZSAINS-VIFPVBQESA-O 1 0 271.768 1.912 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1nc(Cl)nc2c1cnn2C ZINC001228777017 942374729 /nfs/dbraw/zinc/37/47/29/942374729.db2.gz WDUYLRWVEUGIHN-MRVPVSSYSA-N 1 0 284.771 1.490 20 5 CDBDRO C[C@H](C[NH+](C)C)Oc1n[nH]c(=O)c2cccc([N+](=O)[O-])c21 ZINC001229367395 942459233 /nfs/dbraw/zinc/45/92/33/942459233.db2.gz LNJIWVPGJJEFCV-MRVPVSSYSA-N 1 0 292.295 1.573 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2O)C1 ZINC001229397499 942464881 /nfs/dbraw/zinc/46/48/81/942464881.db2.gz JHVMCTGCYYTUFL-JTQLQIEISA-N 1 0 252.270 1.773 20 5 CDBDRO COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@@H]1CC[N@H+](C)C1 ZINC001229901988 942550905 /nfs/dbraw/zinc/55/09/05/942550905.db2.gz DCINBTFTVKCXAU-SNVBAGLBSA-N 1 0 294.307 1.773 20 5 CDBDRO CCOc1cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001230553511 942641519 /nfs/dbraw/zinc/64/15/19/942641519.db2.gz BVLLHWAKNJDMQL-GFCCVEGCSA-N 1 0 282.360 1.448 20 5 CDBDRO COc1ccc(C(N)=O)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001231291517 942845106 /nfs/dbraw/zinc/84/51/06/942845106.db2.gz YRDRGEXHBXFQDN-SNVBAGLBSA-O 1 0 267.349 1.268 20 5 CDBDRO C[N@@H+](Cc1ccc2ccc3cccnc3c2n1)C[C@@H](O)CO ZINC001232220467 943173441 /nfs/dbraw/zinc/17/34/41/943173441.db2.gz PIJGGXJMXOXFPE-OAHLLOKOSA-N 1 0 297.358 1.568 20 5 CDBDRO O=C(N1Cc2ccc([N+](=O)[O-])cc2C1)[C@@]1(F)CC[NH2+]C1 ZINC001261458490 946128195 /nfs/dbraw/zinc/12/81/95/946128195.db2.gz ADCVQWPXIRANHB-CYBMUJFWSA-N 1 0 279.271 1.139 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC001261489815 946140477 /nfs/dbraw/zinc/14/04/77/946140477.db2.gz GKJJBPKAAMRELK-VIFPVBQESA-N 1 0 295.339 1.640 20 5 CDBDRO CC[NH2+][C@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001262007512 946368260 /nfs/dbraw/zinc/36/82/60/946368260.db2.gz IOZHWZDNCWZNAF-SNVBAGLBSA-N 1 0 277.324 1.478 20 5 CDBDRO CCC[C@H](CO)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254574601 947533054 /nfs/dbraw/zinc/53/30/54/947533054.db2.gz JDTIAOVXSMICLL-CHWSQXEVSA-N 1 0 264.325 1.813 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H](CO)c1ccncc1)C2 ZINC001254580566 947536816 /nfs/dbraw/zinc/53/68/16/947536816.db2.gz GNNAVAUMYNWPEM-GDBMZVCRSA-N 1 0 299.330 1.780 20 5 CDBDRO CCC[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254580917 947537315 /nfs/dbraw/zinc/53/73/15/947537315.db2.gz HYEAOTXSDYQNGS-AAEUAGOBSA-N 1 0 277.324 1.306 20 5 CDBDRO COC(=O)C[C@@H](C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580580 947538334 /nfs/dbraw/zinc/53/83/34/947538334.db2.gz GQSUKYJBECHRRN-BXKDBHETSA-N 1 0 278.308 1.603 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cncnc1)C2 ZINC001254581181 947538668 /nfs/dbraw/zinc/53/86/68/947538668.db2.gz JLBSMIBEKGGDTK-ZDUSSCGKSA-N 1 0 270.292 1.642 20 5 CDBDRO C[C@@]1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCOC1 ZINC001254590667 947542490 /nfs/dbraw/zinc/54/24/90/947542490.db2.gz YHZZXZGSVCJRIS-TZMCWYRMSA-N 1 0 262.309 1.831 20 5 CDBDRO N[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@@H]1F ZINC001246568755 948290071 /nfs/dbraw/zinc/29/00/71/948290071.db2.gz AYWFSTOODOXAEO-QLFBSQMISA-N 1 0 293.342 1.823 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H]([NH3+])C[C@H](F)C1 ZINC001246574758 948299317 /nfs/dbraw/zinc/29/93/17/948299317.db2.gz KMTXJALEQZACLB-WXHSDQCUSA-N 1 0 281.331 1.897 20 5 CDBDRO C[C@@]1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CC[NH2+]1 ZINC001248726076 949104643 /nfs/dbraw/zinc/10/46/43/949104643.db2.gz YEIMBMYJSGDDDI-NSHDSACASA-N 1 0 279.231 1.387 20 5 CDBDRO C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC001325743536 954053698 /nfs/dbraw/zinc/05/36/98/954053698.db2.gz NQBDDDFMXHBMOP-VHSXEESVSA-N 1 0 266.345 1.683 20 5 CDBDRO CCCN(CCC[NH+](C)C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001326106089 954218826 /nfs/dbraw/zinc/21/88/26/954218826.db2.gz YOKVYMLCEBCHRV-UHFFFAOYSA-N 1 0 283.332 1.122 20 5 CDBDRO Cc1nc(N2CCC[N@@H+]3CCC[C@H]3C2)ncc1[N+](=O)[O-] ZINC001326491495 954406780 /nfs/dbraw/zinc/40/67/80/954406780.db2.gz GPPXVLCXDCIZJC-NSHDSACASA-N 1 0 277.328 1.368 20 5 CDBDRO C[NH+](C)CCONC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001328691231 955418028 /nfs/dbraw/zinc/41/80/28/955418028.db2.gz JCVXCCYGOALJLQ-UHFFFAOYSA-N 1 0 292.295 1.299 20 5 CDBDRO [NH3+][C@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CCC1 ZINC001329260273 955782764 /nfs/dbraw/zinc/78/27/64/955782764.db2.gz WQLXEKJGTMFECA-ZDUSSCGKSA-N 1 0 275.308 1.564 20 5 CDBDRO O=[N+]([O-])c1cc(CO)c(NCC[NH+]2CC=CC2)cc1F ZINC001329732442 956087543 /nfs/dbraw/zinc/08/75/43/956087543.db2.gz FKSFPDKBIWVIBB-UHFFFAOYSA-N 1 0 281.287 1.510 20 5 CDBDRO Cc1ccc(C[N@H+]2CC[C@H](O)[C@@H]2C)cc1[N+](=O)[O-] ZINC001307775514 956437193 /nfs/dbraw/zinc/43/71/93/956437193.db2.gz KQWCGYWLFVYIFJ-GWCFXTLKSA-N 1 0 250.298 1.858 20 5 CDBDRO CCC[C@@H](CCO)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001308901588 956596824 /nfs/dbraw/zinc/59/68/24/956596824.db2.gz ZMFPPFYTNUKCOK-NSHDSACASA-N 1 0 298.339 1.950 20 5 CDBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC[N+](=O)[O-] ZINC001334683885 959284263 /nfs/dbraw/zinc/28/42/63/959284263.db2.gz DKISRIFFCBDXSZ-ZFWWWQNUSA-N 1 0 277.368 1.763 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001337067297 960907742 /nfs/dbraw/zinc/90/77/42/960907742.db2.gz XGEPMHKAYBSPSC-VHSXEESVSA-N 1 0 279.344 1.857 20 5 CDBDRO CC[N@@H+]1CCC[C@H](CNc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001337755446 961406649 /nfs/dbraw/zinc/40/66/49/961406649.db2.gz LLTZGPUAOJOKSO-SNVBAGLBSA-N 1 0 279.344 1.716 20 5 CDBDRO CCC[NH2+]CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001340120079 962754014 /nfs/dbraw/zinc/75/40/14/962754014.db2.gz VFAQIRQEFCUPCW-ZIAGYGMSSA-N 1 0 291.351 1.814 20 5 CDBDRO Cn1ccc(CN2CCc3ccc([N+](=O)[O-])cc3C2)cc1=O ZINC001340222254 962827830 /nfs/dbraw/zinc/82/78/30/962827830.db2.gz NCVLGSLRBGHCSV-UHFFFAOYSA-N 1 0 299.330 1.852 20 5 CDBDRO C[C@H](CNC(=O)[C@]1(C)CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001341319916 963364649 /nfs/dbraw/zinc/36/46/49/963364649.db2.gz YRZNMMNRBCAMRP-ABAIWWIYSA-N 1 0 291.351 1.957 20 5 CDBDRO [NH3+][C@H]1C[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC001342170841 963660653 /nfs/dbraw/zinc/66/06/53/963660653.db2.gz PGVXKMBUYFEWNN-LDJPAEHYSA-N 1 0 261.281 1.214 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC001342176413 963664037 /nfs/dbraw/zinc/66/40/37/963664037.db2.gz QEYPDVORLOUARL-QMMMGPOBSA-N 1 0 283.353 1.654 20 5 CDBDRO [NH3+][C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001343697183 964102464 /nfs/dbraw/zinc/10/24/64/964102464.db2.gz HCFMVHFVNFCRCW-ZKCHVHJHSA-N 1 0 269.688 1.468 20 5 CDBDRO C[C@H](NC(=O)C[C@H]([NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001344789297 964427939 /nfs/dbraw/zinc/42/79/39/964427939.db2.gz FURXRYFREYMMPL-ZANVPECISA-N 1 0 277.324 1.899 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001346068446 964906309 /nfs/dbraw/zinc/90/63/09/964906309.db2.gz CPADDXASGDEEMH-GHMZBOCLSA-N 1 0 264.329 1.615 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC001346395519 965079977 /nfs/dbraw/zinc/07/99/77/965079977.db2.gz BBMFKPCVCVPUFR-ZKCHVHJHSA-N 1 0 281.337 1.536 20 5 CDBDRO C[NH2+]C1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCC1 ZINC001353383308 967939129 /nfs/dbraw/zinc/93/91/29/967939129.db2.gz VYJUXNDYOUDFGZ-UHFFFAOYSA-N 1 0 277.324 1.396 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC[C@](C)(C[NH3+])C1 ZINC001158678817 1163412872 /nfs/dbraw/zinc/41/28/72/1163412872.db2.gz OXGYVVMZBKFXCK-CYBMUJFWSA-N 1 0 280.328 1.102 20 5 CDBDRO CCC(CC)(C[NH3+])NC(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC001577052426 1171592389 /nfs/dbraw/zinc/59/23/89/1171592389.db2.gz UURNLWGQWVZUGI-UHFFFAOYSA-N 1 0 295.343 1.359 20 5 CDBDRO CCN(CCO)c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601098982 342463847 /nfs/dbraw/zinc/46/38/47/342463847.db2.gz MUTVOYAFUOCLDY-UHFFFAOYSA-N 1 0 261.281 1.962 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC=CCC2)c1 ZINC000611517635 346808828 /nfs/dbraw/zinc/80/88/28/346808828.db2.gz ZUABYRBKLLZZLZ-CYBMUJFWSA-N 1 0 278.308 1.596 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1COCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000601303262 342550974 /nfs/dbraw/zinc/55/09/74/342550974.db2.gz BOHAJGXTKWEHNM-OASPWFOLSA-N 1 0 266.297 1.395 20 5 CDBDRO CC[NH+]1CCC(NC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000124662176 187147531 /nfs/dbraw/zinc/14/75/31/187147531.db2.gz AAYFHSVXBPFJHA-UHFFFAOYSA-N 1 0 293.327 1.596 20 5 CDBDRO CC[C@]1([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCOC1 ZINC000616865972 342568025 /nfs/dbraw/zinc/56/80/25/342568025.db2.gz DHRXRTGISHOOLS-AWEZNQCLSA-N 1 0 293.323 1.352 20 5 CDBDRO CC1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000232885263 342033869 /nfs/dbraw/zinc/03/38/69/342033869.db2.gz SWCLXXXZIITFMC-CYBMUJFWSA-N 1 0 296.371 1.712 20 5 CDBDRO CC(C)[NH2+]C1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000590576155 342577311 /nfs/dbraw/zinc/57/73/11/342577311.db2.gz QEKUFVPNGJGQCX-UHFFFAOYSA-N 1 0 279.344 1.539 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000608905321 342084163 /nfs/dbraw/zinc/08/41/63/342084163.db2.gz CCVOCIJDKQAFAS-SNVBAGLBSA-N 1 0 278.312 1.233 20 5 CDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])s1 ZINC000609289038 342100454 /nfs/dbraw/zinc/10/04/54/342100454.db2.gz OTBYANRTRXSXRG-SNVBAGLBSA-N 1 0 284.385 1.704 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000590971943 342612473 /nfs/dbraw/zinc/61/24/73/342612473.db2.gz YDSLTHGXVQWQEW-LBPRGKRZSA-N 1 0 277.324 1.519 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](C)[NH3+] ZINC000591288586 342625421 /nfs/dbraw/zinc/62/54/21/342625421.db2.gz LBHRDRZGAFOQEW-MRVPVSSYSA-N 1 0 266.301 1.680 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000591442944 342632600 /nfs/dbraw/zinc/63/26/00/342632600.db2.gz WCACRIRQIDBBDH-BDAKNGLRSA-N 1 0 266.276 1.175 20 5 CDBDRO C[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000310706294 342134348 /nfs/dbraw/zinc/13/43/48/342134348.db2.gz CZUFNGINIPNKEX-DTORHVGOSA-N 1 0 253.277 1.921 20 5 CDBDRO CCc1ccc(C(=O)N2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000591678490 342641511 /nfs/dbraw/zinc/64/15/11/342641511.db2.gz VFXUFTGOIFHOBL-UHFFFAOYSA-N 1 0 291.351 1.981 20 5 CDBDRO CCOc1ccc(C(=O)N(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000591679728 342641677 /nfs/dbraw/zinc/64/16/77/342641677.db2.gz VOGMXDJTLRQGGT-UHFFFAOYSA-N 1 0 281.312 1.414 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CCC[NH3+] ZINC000591679904 342641689 /nfs/dbraw/zinc/64/16/89/342641689.db2.gz ZGMPJWJNPQULLL-UHFFFAOYSA-N 1 0 279.340 1.941 20 5 CDBDRO O=C(NCC1C[NH2+]C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000591682149 342641800 /nfs/dbraw/zinc/64/18/00/342641800.db2.gz ZUOQYGWTJQOEMZ-UHFFFAOYSA-N 1 0 286.291 1.092 20 5 CDBDRO CO[C@@H](C)CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591734234 342644601 /nfs/dbraw/zinc/64/46/01/342644601.db2.gz KTTTZJMCVGZCSO-RYUDHWBXSA-N 1 0 298.339 1.349 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000592435836 342692779 /nfs/dbraw/zinc/69/27/79/342692779.db2.gz TWNSTFYCIMJARP-AAEUAGOBSA-N 1 0 267.304 1.727 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000592568494 342707253 /nfs/dbraw/zinc/70/72/53/342707253.db2.gz QQDXBBVSRSGNTM-RKDXNWHRSA-N 1 0 281.312 1.459 20 5 CDBDRO C[N@H+](CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000593421460 342800354 /nfs/dbraw/zinc/80/03/54/342800354.db2.gz QBGVFOLXHUNMIA-UHFFFAOYSA-N 1 0 295.314 1.487 20 5 CDBDRO CC[C@@H]([NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000129778813 342194610 /nfs/dbraw/zinc/19/46/10/342194610.db2.gz NDGPJIMPORPLDB-CYBMUJFWSA-N 1 0 279.340 1.771 20 5 CDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC1CC[NH2+]CC1 ZINC000208423462 342184851 /nfs/dbraw/zinc/18/48/51/342184851.db2.gz DWMQSHVCAVXYQQ-PLNGDYQASA-N 1 0 275.308 1.476 20 5 CDBDRO COC[C@H](O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000129645017 342190005 /nfs/dbraw/zinc/19/00/05/342190005.db2.gz ONZZNJUCRSAFKI-ZYHUDNBSSA-N 1 0 268.313 1.561 20 5 CDBDRO C[NH+](C)C1(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593743789 342827323 /nfs/dbraw/zinc/82/73/23/342827323.db2.gz GHDYNTRYOJUQMP-UHFFFAOYSA-N 1 0 295.314 1.487 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000161933756 361956395 /nfs/dbraw/zinc/95/63/95/361956395.db2.gz SRKIGKKYWKOPFQ-NWDGAFQWSA-N 1 0 277.324 1.903 20 5 CDBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000594389738 342894219 /nfs/dbraw/zinc/89/42/19/342894219.db2.gz MRNVTAGOAMQLFU-UHFFFAOYSA-N 1 0 295.343 1.264 20 5 CDBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000127413859 342237010 /nfs/dbraw/zinc/23/70/10/342237010.db2.gz WGPWIXSXTIDTGU-CYBMUJFWSA-N 1 0 282.344 1.427 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1COCCN1 ZINC000600678735 342244220 /nfs/dbraw/zinc/24/42/20/342244220.db2.gz TZSZLEVECXFBAE-LQPUYASZSA-N 1 0 277.324 1.186 20 5 CDBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)C1CC1 ZINC000079768101 342232841 /nfs/dbraw/zinc/23/28/41/342232841.db2.gz FIEHEJIPTJQLBB-CYBMUJFWSA-N 1 0 250.298 1.798 20 5 CDBDRO Cn1c(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000609383268 342264473 /nfs/dbraw/zinc/26/44/73/342264473.db2.gz KVWUEROXIPQGGR-NSHDSACASA-N 1 0 292.339 1.147 20 5 CDBDRO Cc1ccc(NC(=O)[C@H]2CC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000092950746 342270300 /nfs/dbraw/zinc/27/03/00/342270300.db2.gz ABPUNSWYQLBBBY-KOLCDFICSA-N 1 0 263.297 1.840 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(CO)COC1 ZINC000595020958 342996033 /nfs/dbraw/zinc/99/60/33/342996033.db2.gz BOAMYFQRELIIMH-JTQLQIEISA-N 1 0 296.323 1.263 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[NH2+]C ZINC000595233090 343016698 /nfs/dbraw/zinc/01/66/98/343016698.db2.gz RZOXCIPQUKLEJI-VIFPVBQESA-N 1 0 280.328 1.887 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+](CCO)CC1CC1 ZINC000595295492 343026685 /nfs/dbraw/zinc/02/66/85/343026685.db2.gz ZGAMZFKIFGVUBU-UHFFFAOYSA-N 1 0 268.288 1.938 20 5 CDBDRO Cc1noc(CN(C)CCn2cccn2)c1[N+](=O)[O-] ZINC000595318554 343034456 /nfs/dbraw/zinc/03/44/56/343034456.db2.gz VDJUCEGHNGQGSL-UHFFFAOYSA-N 1 0 265.273 1.220 20 5 CDBDRO Cc1noc(C[NH2+][C@@H]2CCC[C@H]2CCO)c1[N+](=O)[O-] ZINC000595455295 343067543 /nfs/dbraw/zinc/06/75/43/343067543.db2.gz RZDVOGIVKUFMSN-VHSXEESVSA-N 1 0 269.301 1.532 20 5 CDBDRO C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1CCO ZINC000595697459 343125009 /nfs/dbraw/zinc/12/50/09/343125009.db2.gz LISWWRLKZFGVPN-WCQYABFASA-N 1 0 282.344 1.274 20 5 CDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595812214 343161499 /nfs/dbraw/zinc/16/14/99/343161499.db2.gz XHTKBTYVZGTQNS-BXKDBHETSA-N 1 0 275.308 1.536 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000600966329 342354654 /nfs/dbraw/zinc/35/46/54/342354654.db2.gz MROPXJGSSMZSJR-ONGXEEELSA-N 1 0 262.269 1.173 20 5 CDBDRO CCc1ccc(C(=O)N[C@H](C)C[NH2+]C)cc1[N+](=O)[O-] ZINC000595981849 343210789 /nfs/dbraw/zinc/21/07/89/343210789.db2.gz FYZOBYHVHMGIFR-SECBINFHSA-N 1 0 265.313 1.495 20 5 CDBDRO [NH3+][C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@H]1F ZINC000595907159 343188979 /nfs/dbraw/zinc/18/89/79/343188979.db2.gz RIRDISMVRGAQDQ-GHMZBOCLSA-N 1 0 283.303 1.345 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000595924004 343192510 /nfs/dbraw/zinc/19/25/10/343192510.db2.gz FADOQPAZKHOZLJ-NSHDSACASA-N 1 0 251.286 1.209 20 5 CDBDRO CC(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596074255 343226120 /nfs/dbraw/zinc/22/61/20/343226120.db2.gz CPJSDGKAOWNFIM-UHFFFAOYSA-N 1 0 292.339 1.224 20 5 CDBDRO CC(C)(C)[NH2+]CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596103742 343228080 /nfs/dbraw/zinc/22/80/80/343228080.db2.gz FDDIEYBZELNPOC-UHFFFAOYSA-N 1 0 254.290 1.495 20 5 CDBDRO CS[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000596176435 343260690 /nfs/dbraw/zinc/26/06/90/343260690.db2.gz AEEUGKVEFKXBMT-VHSXEESVSA-N 1 0 298.368 1.177 20 5 CDBDRO NC(=O)c1cc(NCC[N@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000596222949 343271246 /nfs/dbraw/zinc/27/12/46/343271246.db2.gz KMMRAUUJPVBYKR-UHFFFAOYSA-N 1 0 290.323 1.368 20 5 CDBDRO CC[C@@H]([NH3+])C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000136481680 342379500 /nfs/dbraw/zinc/37/95/00/342379500.db2.gz QJUZMZPQAYGGBO-MRVPVSSYSA-N 1 0 253.258 1.279 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[C@H](C)[NH+](C)C ZINC000596433173 343319762 /nfs/dbraw/zinc/31/97/62/343319762.db2.gz RTWMPBOUIYSAAH-VIFPVBQESA-N 1 0 269.349 1.872 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596278442 343296441 /nfs/dbraw/zinc/29/64/41/343296441.db2.gz MWDCSOCUJAEVPQ-NSHDSACASA-N 1 0 292.339 1.224 20 5 CDBDRO C[C@H](O)C[N@H+](CCO)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000289889354 342395573 /nfs/dbraw/zinc/39/55/73/342395573.db2.gz RUAPAYVEWWDBOK-LBPRGKRZSA-N 1 0 298.339 1.039 20 5 CDBDRO CCc1nn(C)c(N(C)C[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000094159984 342430117 /nfs/dbraw/zinc/43/01/17/342430117.db2.gz BMKGOPHSUIWMAF-LLVKDONJSA-N 1 0 295.387 1.669 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000139159120 342443418 /nfs/dbraw/zinc/44/34/18/342443418.db2.gz GLCLBXFCFGFZOE-MRVPVSSYSA-N 1 0 253.258 1.012 20 5 CDBDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000597244251 343481497 /nfs/dbraw/zinc/48/14/97/343481497.db2.gz OPILPKKWYVJHPV-XYPYZODXSA-N 1 0 264.281 1.636 20 5 CDBDRO C[C@@H](NC(=O)N[C@@]1(C)CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000597434041 343535931 /nfs/dbraw/zinc/53/59/31/343535931.db2.gz OBFQTUQGMQMHTE-YGRLFVJLSA-N 1 0 292.339 1.707 20 5 CDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C2 ZINC000598667815 343858455 /nfs/dbraw/zinc/85/84/55/343858455.db2.gz LMBSAQGGHZZPOU-IINYFYTJSA-N 1 0 293.298 1.687 20 5 CDBDRO C[NH2+]C1(CNc2c([N+](=O)[O-])c(C)nn2C)CCC1 ZINC000598636568 343863354 /nfs/dbraw/zinc/86/33/54/343863354.db2.gz ZJISHXGZKNWBEN-UHFFFAOYSA-N 1 0 253.306 1.191 20 5 CDBDRO [NH3+][C@]12CCC[C@@H]1CN(CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000598684979 343864930 /nfs/dbraw/zinc/86/49/30/343864930.db2.gz ZOCLMFSDJGTVEZ-HIFRSBDPSA-N 1 0 275.352 1.951 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CC[C@@H](O)C1 ZINC000599084348 343958007 /nfs/dbraw/zinc/95/80/07/343958007.db2.gz BAZDXBQWTZJMSG-GXTWGEPZSA-N 1 0 293.367 1.620 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000599083764 343958061 /nfs/dbraw/zinc/95/80/61/343958061.db2.gz MLJWYKPEUGCMKZ-JZYVYDRUSA-N 1 0 266.276 1.125 20 5 CDBDRO C[N@@H+]1CCCC[C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000599141806 343960402 /nfs/dbraw/zinc/96/04/02/343960402.db2.gz RLEGKSLXUMCFCD-SNVBAGLBSA-N 1 0 280.328 1.839 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+](C1CC1)C1CC1 ZINC000599600969 344100106 /nfs/dbraw/zinc/10/01/06/344100106.db2.gz ZOXCGXHHLKPGMX-CYBMUJFWSA-N 1 0 292.335 1.961 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000601974961 344299682 /nfs/dbraw/zinc/29/96/82/344299682.db2.gz VLWUGCIBEJQLAD-TXEJJXNPSA-N 1 0 278.308 1.552 20 5 CDBDRO COc1ccc(CC(=O)N2C[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000602596618 344502815 /nfs/dbraw/zinc/50/28/15/344502815.db2.gz QOOHKPASZYMOBD-GXSJLCMTSA-N 1 0 293.323 1.094 20 5 CDBDRO Cc1c(C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000602601162 344505367 /nfs/dbraw/zinc/50/53/67/344505367.db2.gz YUDLVCBKMXHERU-WPRPVWTQSA-N 1 0 263.297 1.465 20 5 CDBDRO CC[C@@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602503721 344456940 /nfs/dbraw/zinc/45/69/40/344456940.db2.gz PVCFLIKHMPIIEX-NSHDSACASA-N 1 0 294.355 1.319 20 5 CDBDRO CCN(CC[NH3+])C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000602533741 344469923 /nfs/dbraw/zinc/46/99/23/344469923.db2.gz BFPNDNSQVDBZPZ-UHFFFAOYSA-N 1 0 285.731 1.598 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CO)CC2CC2)cc1 ZINC000602580649 344475260 /nfs/dbraw/zinc/47/52/60/344475260.db2.gz CQRNBJLXHSTFIR-CYBMUJFWSA-N 1 0 264.325 1.888 20 5 CDBDRO COc1cccc(C)c1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000602570473 344485565 /nfs/dbraw/zinc/48/55/65/344485565.db2.gz VZTOKPMTOAZZMH-UHFFFAOYSA-N 1 0 290.323 1.898 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602802343 344591949 /nfs/dbraw/zinc/59/19/49/344591949.db2.gz ZGATXUIHIGEDBM-RYUDHWBXSA-N 1 0 295.387 1.514 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C(C)C)C1COC1 ZINC000602833521 344615069 /nfs/dbraw/zinc/61/50/69/344615069.db2.gz WHWUAHDLNWUJLR-UHFFFAOYSA-N 1 0 268.317 1.209 20 5 CDBDRO CC[NH+](CC)CCCn1cc([N+](=O)[O-])cc(OC)c1=O ZINC000603357615 344782842 /nfs/dbraw/zinc/78/28/42/344782842.db2.gz FJYWSYGTPPLUIR-UHFFFAOYSA-N 1 0 283.328 1.497 20 5 CDBDRO COc1ccc(C[N@@H+]2CCC[C@H](O)CC2)cc1[N+](=O)[O-] ZINC000293131624 362531905 /nfs/dbraw/zinc/53/19/05/362531905.db2.gz MXCYEJCAXYNTLH-LBPRGKRZSA-N 1 0 280.324 1.950 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2(CO)CC2)n1 ZINC000618571531 345055440 /nfs/dbraw/zinc/05/54/40/345055440.db2.gz BVOPZQXGAIKDQZ-NEPJUHHUSA-N 1 0 294.355 1.637 20 5 CDBDRO C[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000293561665 362580752 /nfs/dbraw/zinc/58/07/52/362580752.db2.gz AHKOXZIRFPDXIG-SECBINFHSA-N 1 0 280.328 1.105 20 5 CDBDRO CC(C)[NH+]1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051536280 345162706 /nfs/dbraw/zinc/16/27/06/345162706.db2.gz MRZBBGQRBXGRSC-UHFFFAOYSA-N 1 0 293.367 2.000 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NCC[NH+]1CCCCCC1 ZINC000025570817 345313433 /nfs/dbraw/zinc/31/34/33/345313433.db2.gz SASVXGKXDBRSDW-UHFFFAOYSA-N 1 0 267.333 1.616 20 5 CDBDRO C[C@@]1(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC000230733756 345441555 /nfs/dbraw/zinc/44/15/55/345441555.db2.gz ZEEBDZKDEAZOSN-GFCCVEGCSA-N 1 0 283.715 1.730 20 5 CDBDRO C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000033093348 345441558 /nfs/dbraw/zinc/44/15/58/345441558.db2.gz ICNNNVGXSVPWHR-JTQLQIEISA-N 1 0 281.312 1.040 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000129585337 345640575 /nfs/dbraw/zinc/64/05/75/345640575.db2.gz BPCGYPLCVYFEHK-CHWSQXEVSA-N 1 0 280.324 1.852 20 5 CDBDRO C[N@H+](CCCO)C1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000609670733 345988490 /nfs/dbraw/zinc/98/84/90/345988490.db2.gz JNGQAXUDYXQLPY-UHFFFAOYSA-N 1 0 294.355 1.273 20 5 CDBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000609839872 346005561 /nfs/dbraw/zinc/00/55/61/346005561.db2.gz FPQHLWUVFAOVBT-VIFPVBQESA-N 1 0 280.332 1.084 20 5 CDBDRO CC(C)(CO)[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000609839787 346005615 /nfs/dbraw/zinc/00/56/15/346005615.db2.gz RJBZKUDKBKEVOB-UHFFFAOYSA-N 1 0 297.330 1.627 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000127567577 187315885 /nfs/dbraw/zinc/31/58/85/187315885.db2.gz MZCGDNBANIMORT-NEPJUHHUSA-N 1 0 289.335 1.870 20 5 CDBDRO C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000086469247 362712499 /nfs/dbraw/zinc/71/24/99/362712499.db2.gz LXWZMXYRBIAYBA-MNOVXSKESA-N 1 0 292.339 1.216 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(CO)CCCCC2)c1 ZINC000611462917 346793312 /nfs/dbraw/zinc/79/33/12/346793312.db2.gz JRFWJDGCVJUHTH-UHFFFAOYSA-N 1 0 268.317 1.076 20 5 CDBDRO CC[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000122425269 347645110 /nfs/dbraw/zinc/64/51/10/347645110.db2.gz ZKFHFVCBFGLHHO-DGCLKSJQSA-N 1 0 291.351 1.723 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000086467871 179298920 /nfs/dbraw/zinc/29/89/20/179298920.db2.gz FBMLEBGFEFJLRR-MNOVXSKESA-N 1 0 277.324 1.726 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273349286 192122186 /nfs/dbraw/zinc/12/21/86/192122186.db2.gz CFBXDTPGYJNPPT-SECBINFHSA-N 1 0 296.302 1.807 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273349288 192122537 /nfs/dbraw/zinc/12/25/37/192122537.db2.gz CFBXDTPGYJNPPT-VIFPVBQESA-N 1 0 296.302 1.807 20 5 CDBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000043644134 348758156 /nfs/dbraw/zinc/75/81/56/348758156.db2.gz OXEDAXZZSBOXEC-UHFFFAOYSA-N 1 0 294.355 1.868 20 5 CDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)C[NH+]1CCCC1 ZINC000056333002 348816562 /nfs/dbraw/zinc/81/65/62/348816562.db2.gz NPOXXFJPESZFPJ-JTQLQIEISA-N 1 0 280.328 1.385 20 5 CDBDRO Cc1ccc(C(=O)N[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000068470028 349068363 /nfs/dbraw/zinc/06/83/63/349068363.db2.gz GCNVFUKRMDDLNB-NSHDSACASA-N 1 0 279.340 1.973 20 5 CDBDRO COC[C@@](C)(O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000069912586 349110831 /nfs/dbraw/zinc/11/08/31/349110831.db2.gz MGARAPVLKHHARL-LBPRGKRZSA-N 1 0 254.286 1.082 20 5 CDBDRO [NH3+]C1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000036753458 362944300 /nfs/dbraw/zinc/94/43/00/362944300.db2.gz QZFOPQVUOQIPTF-UHFFFAOYSA-N 1 0 263.297 1.087 20 5 CDBDRO CCCC[N@H+](CCOC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090548670 180001902 /nfs/dbraw/zinc/00/19/02/180001902.db2.gz XIFPHTDNYOWZLG-UHFFFAOYSA-N 1 0 297.355 1.505 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000091543275 180184648 /nfs/dbraw/zinc/18/46/48/180184648.db2.gz KGUDWJGWAVVEOW-VXGBXAGGSA-N 1 0 277.324 1.381 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000107062635 186157436 /nfs/dbraw/zinc/15/74/36/186157436.db2.gz VZJHWMMEUSGAFZ-UHFFFAOYSA-N 1 0 285.731 1.882 20 5 CDBDRO COc1cc(C[NH2+]CC[C@H](C)O)c([N+](=O)[O-])cc1OC ZINC000114771258 350850610 /nfs/dbraw/zinc/85/06/10/350850610.db2.gz HNVMPNUKKITBHH-VIFPVBQESA-N 1 0 284.312 1.473 20 5 CDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000079768460 350968170 /nfs/dbraw/zinc/96/81/70/350968170.db2.gz UDMHADOAYGQQTC-CYBMUJFWSA-N 1 0 280.324 1.676 20 5 CDBDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000068581063 351109819 /nfs/dbraw/zinc/10/98/19/351109819.db2.gz ZPHDYFMTNLDDJS-UHXUPSOCSA-N 1 0 296.371 1.567 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000114399964 186621593 /nfs/dbraw/zinc/62/15/93/186621593.db2.gz GOAWIKWAXDPGLY-JTQLQIEISA-N 1 0 292.339 1.201 20 5 CDBDRO CC(C)([NH3+])c1noc(COc2c(F)cccc2[N+](=O)[O-])n1 ZINC000124224003 351341585 /nfs/dbraw/zinc/34/15/85/351341585.db2.gz AUQUIDNZCRMXHP-UHFFFAOYSA-N 1 0 296.258 1.890 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000133541805 187691805 /nfs/dbraw/zinc/69/18/05/187691805.db2.gz ZMVYBOFOGCEDFY-NSHDSACASA-N 1 0 293.323 1.427 20 5 CDBDRO Cc1cc(C(=O)N[C@@H](C)CCCC[NH3+])c(N)c([N+](=O)[O-])c1 ZINC000292072938 198152697 /nfs/dbraw/zinc/15/26/97/198152697.db2.gz LIYPPDZDHPHQBI-JTQLQIEISA-N 1 0 294.355 1.733 20 5 CDBDRO COc1cc(C(=O)N[C@@](C)(C[NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000156732080 188279107 /nfs/dbraw/zinc/27/91/07/188279107.db2.gz UBFKQEULRFGPDP-AWEZNQCLSA-N 1 0 295.339 1.707 20 5 CDBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC([NH3+])C1 ZINC000384847770 366144784 /nfs/dbraw/zinc/14/47/84/366144784.db2.gz KIANLUCZCBRZNW-UHFFFAOYSA-N 1 0 264.285 1.548 20 5 CDBDRO COC[C@@H]1C[C@H](O)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000411922894 363380449 /nfs/dbraw/zinc/38/04/49/363380449.db2.gz MJSSZMWMCOZHKV-RYUDHWBXSA-N 1 0 296.323 1.055 20 5 CDBDRO CC(=O)N1CC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000578026317 356115815 /nfs/dbraw/zinc/11/58/15/356115815.db2.gz PIGLDMLRVUIKTB-JTQLQIEISA-N 1 0 277.324 1.785 20 5 CDBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[C@H]2CO)c(F)c1 ZINC000286169444 356226660 /nfs/dbraw/zinc/22/66/60/356226660.db2.gz YQJIBZIFMGWBAR-QMMMGPOBSA-N 1 0 272.251 1.830 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CC[NH2+]1 ZINC000286219273 356232355 /nfs/dbraw/zinc/23/23/55/356232355.db2.gz TUPOWZMFQRCVLB-BDAKNGLRSA-N 1 0 278.312 1.047 20 5 CDBDRO CN(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000493427359 356267050 /nfs/dbraw/zinc/26/70/50/356267050.db2.gz QWZWRLFAOSQFJB-HWKANZROSA-N 1 0 293.298 1.695 20 5 CDBDRO COc1cc(C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000164883449 356308507 /nfs/dbraw/zinc/30/85/07/356308507.db2.gz ZPXIUPVNJBODGH-KOLCDFICSA-N 1 0 293.323 1.413 20 5 CDBDRO CN(C)C(=O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000037751854 356528481 /nfs/dbraw/zinc/52/84/81/356528481.db2.gz KMJHVTZACUQLEZ-UHFFFAOYSA-N 1 0 285.731 1.816 20 5 CDBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810235 356539433 /nfs/dbraw/zinc/53/94/33/356539433.db2.gz LXRLTPBMAIVMPE-MFKMUULPSA-N 1 0 279.340 1.927 20 5 CDBDRO COCCN1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000336906224 356785267 /nfs/dbraw/zinc/78/52/67/356785267.db2.gz XRMPFUUVFJGYRF-AWEZNQCLSA-N 1 0 293.367 1.714 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C[NH3+] ZINC000163712939 357095927 /nfs/dbraw/zinc/09/59/27/357095927.db2.gz FFDFRYXNOCXQAX-NXEZZACHSA-N 1 0 295.314 1.791 20 5 CDBDRO Cc1c(C[N@@H+]2CCC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000048331260 357177647 /nfs/dbraw/zinc/17/76/47/357177647.db2.gz ZEUSYEJJYDGYBS-LBPRGKRZSA-N 1 0 250.298 1.860 20 5 CDBDRO C[NH2+][C@H](C)Cc1noc(-c2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000261911811 357341269 /nfs/dbraw/zinc/34/12/69/357341269.db2.gz ZTXMSWJAUGWALT-MRVPVSSYSA-N 1 0 292.295 1.804 20 5 CDBDRO COc1cc(C[NH2+][C@H](CO)C(C)C)c([N+](=O)[O-])cc1F ZINC000274308670 357368797 /nfs/dbraw/zinc/36/87/97/357368797.db2.gz LUZIKWCKJUIPME-LLVKDONJSA-N 1 0 286.303 1.849 20 5 CDBDRO COc1cccc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000566210878 357435496 /nfs/dbraw/zinc/43/54/96/357435496.db2.gz DRJYRSJLVWUHJZ-ZJUUUORDSA-N 1 0 293.323 1.461 20 5 CDBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]12 ZINC000185038011 357502863 /nfs/dbraw/zinc/50/28/63/357502863.db2.gz VYNGCKSSQYESPV-DYLAAIIWSA-N 1 0 293.298 1.543 20 5 CDBDRO CCc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000186701341 357677697 /nfs/dbraw/zinc/67/76/97/357677697.db2.gz MLZBJIJWNHSCOX-ZWNOBZJWSA-N 1 0 291.351 1.885 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])[C@H](C)CN1C ZINC000408071754 357810878 /nfs/dbraw/zinc/81/08/78/357810878.db2.gz LIUJXKDSGMRVEU-GHMZBOCLSA-N 1 0 277.324 1.759 20 5 CDBDRO C[C@@H]1CCCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000187989730 357832493 /nfs/dbraw/zinc/83/24/93/357832493.db2.gz LPHDKFFIGZVOIY-LLVKDONJSA-N 1 0 252.318 1.913 20 5 CDBDRO C[C@H](C[S@@](C)=O)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294450985 199044524 /nfs/dbraw/zinc/04/45/24/199044524.db2.gz VQKGRJWQECOOFR-IXGDSRDXSA-N 1 0 285.369 1.595 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2C[C@H]3CCC[NH2+][C@H]3C2)c(F)c1 ZINC000337528447 358079494 /nfs/dbraw/zinc/07/94/94/358079494.db2.gz ZBHXXNASEIONHN-RISCZKNCSA-N 1 0 279.315 1.918 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)c1ncc([N+](=O)[O-])s1 ZINC000192534969 358213546 /nfs/dbraw/zinc/21/35/46/358213546.db2.gz MYNIBEJGHFZBCL-UHFFFAOYSA-N 1 0 256.331 1.582 20 5 CDBDRO Cc1ccc(CNC(=O)NC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC001579696667 1172241834 /nfs/dbraw/zinc/24/18/34/1172241834.db2.gz XKBAGAHCDAFRLH-GFCCVEGCSA-N 1 0 294.355 1.686 20 5 CDBDRO COc1cc(C(=O)N(C)CC[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000294813469 199194765 /nfs/dbraw/zinc/19/47/65/199194765.db2.gz CFGUDHJKTAJKKX-UHFFFAOYSA-N 1 0 299.302 1.376 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+](CCCO)C2)c(F)c1 ZINC000294844156 199210120 /nfs/dbraw/zinc/21/01/20/199210120.db2.gz AIUSKFWBUFPVNP-LLVKDONJSA-N 1 0 297.330 1.993 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000127370174 358385878 /nfs/dbraw/zinc/38/58/78/358385878.db2.gz BLSLNFAHPTVTMF-ZJUUUORDSA-N 1 0 265.313 1.777 20 5 CDBDRO COc1ccc(C[N@H+]2C[C@H](CO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000361652605 358403293 /nfs/dbraw/zinc/40/32/93/358403293.db2.gz GHGSDRTVJKMFGX-ZYHUDNBSSA-N 1 0 280.324 1.664 20 5 CDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000287394789 358514794 /nfs/dbraw/zinc/51/47/94/358514794.db2.gz YORQJWBPPHZRNF-MNOVXSKESA-N 1 0 293.323 1.887 20 5 CDBDRO C[NH+](C)C[C@](C)(O)CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000227934432 358576719 /nfs/dbraw/zinc/57/67/19/358576719.db2.gz VKSSPPSVHAPHKA-GFCCVEGCSA-N 1 0 287.747 1.973 20 5 CDBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000287436438 358645157 /nfs/dbraw/zinc/64/51/57/358645157.db2.gz QWMVKWHKFAOONU-UHFFFAOYSA-N 1 0 294.355 1.871 20 5 CDBDRO O=C(NCCNc1cc[nH+]cc1)c1ccccc1[N+](=O)[O-] ZINC000338068097 358735390 /nfs/dbraw/zinc/73/53/90/358735390.db2.gz HUPJECBLMFCBNC-UHFFFAOYSA-N 1 0 286.291 1.254 20 5 CDBDRO Cc1cccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1[N+](=O)[O-] ZINC000186718354 358817109 /nfs/dbraw/zinc/81/71/09/358817109.db2.gz CEPRXYCIFOWHSG-BXKDBHETSA-N 1 0 277.324 1.631 20 5 CDBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000341699461 358790281 /nfs/dbraw/zinc/79/02/81/358790281.db2.gz MXNIYHAHXNRXIL-VIFPVBQESA-N 1 0 296.327 1.156 20 5 CDBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000341702438 358791303 /nfs/dbraw/zinc/79/13/03/358791303.db2.gz XDLXDPKQLCCHSH-DGCLKSJQSA-N 1 0 291.351 1.751 20 5 CDBDRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000072874667 358797492 /nfs/dbraw/zinc/79/74/92/358797492.db2.gz QYVQDESETVCSNA-LLVKDONJSA-N 1 0 289.335 1.968 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H](O)C1CC1 ZINC000341173093 366520644 /nfs/dbraw/zinc/52/06/44/366520644.db2.gz ZOQDGRWYCDOWGY-KQIUPUNMSA-N 1 0 262.309 1.969 20 5 CDBDRO Nc1ccc(N2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000287576562 358962068 /nfs/dbraw/zinc/96/20/68/358962068.db2.gz XHUOYLYVWKFDEY-UHFFFAOYSA-N 1 0 276.340 1.852 20 5 CDBDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)O)cc1[N+](=O)[O-] ZINC000342206182 358965233 /nfs/dbraw/zinc/96/52/33/358965233.db2.gz PXTHZEUKZUEDLP-IUCAKERBSA-N 1 0 254.286 1.462 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000104114062 358946602 /nfs/dbraw/zinc/94/66/02/358946602.db2.gz CTEFEGRRGDRSSO-SNVBAGLBSA-N 1 0 278.312 1.668 20 5 CDBDRO CC(C)C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(N)=O ZINC000051735895 359039324 /nfs/dbraw/zinc/03/93/24/359039324.db2.gz SFUIJJQWGFUQLH-UHFFFAOYSA-N 1 0 295.339 1.417 20 5 CDBDRO CC[C@@H]1C[N@H+](CC)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000451729140 359073540 /nfs/dbraw/zinc/07/35/40/359073540.db2.gz JJGQRPCULIYISN-GFCCVEGCSA-N 1 0 281.360 1.207 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)n1 ZINC000451605858 359064155 /nfs/dbraw/zinc/06/41/55/359064155.db2.gz LLYGOLHCYHCJGB-GXTWGEPZSA-N 1 0 294.355 1.178 20 5 CDBDRO CC[NH+](CC)CCCn1ccc(C)c([N+](=O)[O-])c1=O ZINC000347709563 359183374 /nfs/dbraw/zinc/18/33/74/359183374.db2.gz ZYPIUDJWEIYYAC-UHFFFAOYSA-N 1 0 267.329 1.797 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NCCOCC[NH+](C)C)c1 ZINC000231207646 359252554 /nfs/dbraw/zinc/25/25/54/359252554.db2.gz XKOPUGIDRAYABI-UHFFFAOYSA-N 1 0 267.329 1.893 20 5 CDBDRO O=C(CC[NH2+]C1CC1)NCc1ccccc1[N+](=O)[O-] ZINC000050015934 359274946 /nfs/dbraw/zinc/27/49/46/359274946.db2.gz LNUCPMKNWKZZLI-UHFFFAOYSA-N 1 0 263.297 1.353 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000112925619 359365284 /nfs/dbraw/zinc/36/52/84/359365284.db2.gz LZSGSFOSFIBULY-UHFFFAOYSA-N 1 0 290.323 1.758 20 5 CDBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]C1 ZINC000050164215 359352474 /nfs/dbraw/zinc/35/24/74/359352474.db2.gz UUQORQOIXPVYFT-RKDXNWHRSA-N 1 0 251.290 1.185 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000050246288 359406294 /nfs/dbraw/zinc/40/62/94/359406294.db2.gz DZGFUQMVGOMBSW-SNVBAGLBSA-N 1 0 263.297 1.324 20 5 CDBDRO [NH3+]CCN(Cc1cc[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000289140090 359476877 /nfs/dbraw/zinc/47/68/77/359476877.db2.gz AFHJHDYFOHLRKY-UHFFFAOYSA-N 1 0 261.285 1.283 20 5 CDBDRO Cc1nn(CCC(=O)N[C@H](C)C[C@H](C)[NH3+])c(C)c1[N+](=O)[O-] ZINC000571524823 359583124 /nfs/dbraw/zinc/58/31/24/359583124.db2.gz DMYYGLPKXJGEJK-DTWKUNHWSA-N 1 0 297.359 1.040 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000408364157 359694362 /nfs/dbraw/zinc/69/43/62/359694362.db2.gz HTFFTRCNDBBWPO-MNOVXSKESA-N 1 0 279.344 1.249 20 5 CDBDRO COC(=O)Cc1ccc(N2CC([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000297502344 200212551 /nfs/dbraw/zinc/21/25/51/200212551.db2.gz NDWMXHDBKILTRO-UHFFFAOYSA-N 1 0 293.323 1.061 20 5 CDBDRO COCC[N@H+](C)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000134271061 359858743 /nfs/dbraw/zinc/85/87/43/359858743.db2.gz FXXXFYDKASSTEN-UHFFFAOYSA-N 1 0 271.292 1.724 20 5 CDBDRO C[C@@H]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H]1C[NH3+] ZINC000397280918 359936082 /nfs/dbraw/zinc/93/60/82/359936082.db2.gz SAPCIMMODRELFE-VWYCJHECSA-N 1 0 294.355 1.379 20 5 CDBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000237883623 360050423 /nfs/dbraw/zinc/05/04/23/360050423.db2.gz LEBXFJIPRRLWQU-UHFFFAOYSA-N 1 0 290.323 1.215 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000237952022 360217076 /nfs/dbraw/zinc/21/70/76/360217076.db2.gz CJMNZARIVGFLIX-NSHDSACASA-N 1 0 297.742 1.740 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)CC[NH+](C)C)n1 ZINC000166719460 360234207 /nfs/dbraw/zinc/23/42/07/360234207.db2.gz MEQZWRSBMJHZKR-SECBINFHSA-N 1 0 296.327 1.529 20 5 CDBDRO [NH3+]CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000237968870 360235136 /nfs/dbraw/zinc/23/51/36/360235136.db2.gz QFHXSOUFYWVKLF-UHFFFAOYSA-N 1 0 292.339 1.274 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000262774447 360315546 /nfs/dbraw/zinc/31/55/46/360315546.db2.gz BOPMSUURWCVARR-ONGXEEELSA-N 1 0 295.314 1.913 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000487466380 360422531 /nfs/dbraw/zinc/42/25/31/360422531.db2.gz XOBQCVBONGJMBI-NXEZZACHSA-N 1 0 280.328 1.526 20 5 CDBDRO [NH3+]CCCCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000238026224 360705215 /nfs/dbraw/zinc/70/52/15/360705215.db2.gz QFBBNYYVNNSACW-UHFFFAOYSA-N 1 0 283.353 1.542 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@H+](C)C(C)C)n1 ZINC000166752214 360847086 /nfs/dbraw/zinc/84/70/86/360847086.db2.gz VWLLSZSJLNHBMR-UHFFFAOYSA-N 1 0 296.327 1.529 20 5 CDBDRO Cc1ccc(C[N@@H+]2CC[C@](C)(O)C2)cc1[N+](=O)[O-] ZINC000180188549 189241565 /nfs/dbraw/zinc/24/15/65/189241565.db2.gz PGDWRERCCIOIQE-ZDUSSCGKSA-N 1 0 250.298 1.860 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000053202402 361203587 /nfs/dbraw/zinc/20/35/87/361203587.db2.gz IFQAZZYXJPEKBR-QMMMGPOBSA-N 1 0 253.258 1.012 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H](C)[NH2+]1 ZINC000070075712 361237383 /nfs/dbraw/zinc/23/73/83/361237383.db2.gz HZQSNSCVRJCLJY-YUMQZZPRSA-N 1 0 253.258 1.010 20 5 CDBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(O)c1 ZINC000181491567 189298423 /nfs/dbraw/zinc/29/84/23/189298423.db2.gz WLPBZLZFQBZXPE-SNVBAGLBSA-N 1 0 276.296 1.848 20 5 CDBDRO CCCC[N@H+](CCCO)CCn1ccc([N+](=O)[O-])n1 ZINC000182129442 189314637 /nfs/dbraw/zinc/31/46/37/189314637.db2.gz UZTLEPBFHNIUQO-UHFFFAOYSA-N 1 0 270.333 1.276 20 5 CDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[NH2+]C2CC2)cc1 ZINC000036267348 361373084 /nfs/dbraw/zinc/37/30/84/361373084.db2.gz RTXGXLKXLHCUPG-UHFFFAOYSA-N 1 0 299.352 1.015 20 5 CDBDRO O=C(NCC[NH+]1CCCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000183589324 189363348 /nfs/dbraw/zinc/36/33/48/189363348.db2.gz GLJNXKYJHKPKJJ-UHFFFAOYSA-N 1 0 293.327 1.597 20 5 CDBDRO CC(C)[C@@H](CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000184371539 189384084 /nfs/dbraw/zinc/38/40/84/189384084.db2.gz BDSLSPOGBXLBJH-OLZOCXBDSA-N 1 0 268.313 1.235 20 5 CDBDRO Cc1cc(C(=O)NC[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000137114009 363855388 /nfs/dbraw/zinc/85/53/88/363855388.db2.gz ILNHGZCAHYBNRC-JTQLQIEISA-N 1 0 263.297 1.243 20 5 CDBDRO O=C(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])NCC(F)F ZINC000580569886 363924206 /nfs/dbraw/zinc/92/42/06/363924206.db2.gz IOMJVPVYESEVHX-JTQLQIEISA-N 1 0 299.277 1.553 20 5 CDBDRO COC[C@H](CCO)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293738484 364463970 /nfs/dbraw/zinc/46/39/70/364463970.db2.gz NJJSQPSGESNZMQ-KOLCDFICSA-N 1 0 283.328 1.225 20 5 CDBDRO CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]2COC[C@@H]21 ZINC000452110987 364811727 /nfs/dbraw/zinc/81/17/27/364811727.db2.gz SGDOGFAFNOLYAR-WDEREUQCSA-N 1 0 280.328 1.148 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000414657362 241305310 /nfs/dbraw/zinc/30/53/10/241305310.db2.gz ONFXRCVGWSGLTD-QMMMGPOBSA-N 1 0 282.300 1.462 20 5 CDBDRO COc1ccc(CN[C@@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000414990498 241504858 /nfs/dbraw/zinc/50/48/58/241504858.db2.gz OPWKXGIICVRASP-VIFPVBQESA-N 1 0 289.282 1.676 20 5 CDBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000272239887 367567105 /nfs/dbraw/zinc/56/71/05/367567105.db2.gz XFHVKBLMGCPMRF-JTQLQIEISA-N 1 0 295.339 1.990 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417125671 242329240 /nfs/dbraw/zinc/32/92/40/242329240.db2.gz BMRZIQNDBTZFBL-GWCFXTLKSA-N 1 0 294.355 1.938 20 5 CDBDRO C[C@@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000417127663 242329963 /nfs/dbraw/zinc/32/99/63/242329963.db2.gz GWYPZRCEJXBJFS-KMLBCRHOSA-N 1 0 290.323 1.173 20 5 CDBDRO C[C@H](NC(=O)N1CC[NH2+][C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000417128049 242330123 /nfs/dbraw/zinc/33/01/23/242330123.db2.gz HOTCHTGUSLDEGM-MNOVXSKESA-N 1 0 292.339 1.659 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000417177539 242347674 /nfs/dbraw/zinc/34/76/74/242347674.db2.gz KULVSJVHRQPEST-JTQLQIEISA-N 1 0 296.327 1.140 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000269269263 368065700 /nfs/dbraw/zinc/06/57/00/368065700.db2.gz LURNZRHTXRIQRV-CYBMUJFWSA-N 1 0 293.367 1.972 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000089108774 368966429 /nfs/dbraw/zinc/96/64/29/368966429.db2.gz PYFGHBCSWQFTSN-KOLCDFICSA-N 1 0 250.302 1.919 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000420272877 244007609 /nfs/dbraw/zinc/00/76/09/244007609.db2.gz DPVKDEOIUGSLHO-ZJUUUORDSA-N 1 0 250.302 1.919 20 5 CDBDRO Cc1nc(NC[C@H]2CCC[C@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000420280769 244018042 /nfs/dbraw/zinc/01/80/42/244018042.db2.gz LJEAUTNRLHKKEO-UWVGGRQHSA-N 1 0 265.317 1.045 20 5 CDBDRO NC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000420381183 244177096 /nfs/dbraw/zinc/17/70/96/244177096.db2.gz YZKKYNBEBCBGST-GFCCVEGCSA-N 1 0 281.360 1.289 20 5 CDBDRO C[NH2+]CCCN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000420389433 244190197 /nfs/dbraw/zinc/19/01/97/244190197.db2.gz OATFQSKYIOOAFO-UHFFFAOYSA-N 1 0 278.312 1.777 20 5 CDBDRO CC[N@H+](CCNc1c(C(N)=O)cccc1[N+](=O)[O-])C(C)C ZINC000420584819 244265935 /nfs/dbraw/zinc/26/59/35/244265935.db2.gz MXTVAIOFSMXSQI-UHFFFAOYSA-N 1 0 294.355 1.836 20 5 CDBDRO Cc1ccc(NC(=O)C[NH2+]CC2CC2)cc1[N+](=O)[O-] ZINC000037612052 369336630 /nfs/dbraw/zinc/33/66/30/369336630.db2.gz OAPWIQJCHWKPNN-UHFFFAOYSA-N 1 0 263.297 1.841 20 5 CDBDRO CCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000276152178 193228118 /nfs/dbraw/zinc/22/81/18/193228118.db2.gz CQGWIDSHGOJSJP-UHFFFAOYSA-N 1 0 268.317 1.337 20 5 CDBDRO CCC[NH2+]CCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000414876738 370966076 /nfs/dbraw/zinc/96/60/76/370966076.db2.gz WHQASOIXGVSBFF-UHFFFAOYSA-N 1 0 267.329 1.693 20 5 CDBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330916284 203386293 /nfs/dbraw/zinc/38/62/93/203386293.db2.gz ZQBRSRZRHMKGKG-LLVKDONJSA-N 1 0 294.355 1.869 20 5 CDBDRO C[NH+]1CCC(NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000037669680 369879426 /nfs/dbraw/zinc/87/94/26/369879426.db2.gz AFHMLNAAHXBRHO-UHFFFAOYSA-N 1 0 281.287 1.558 20 5 CDBDRO C[NH+](C)CCn1nccc1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295349076 370023868 /nfs/dbraw/zinc/02/38/68/370023868.db2.gz AJYTXZOTPYNYDI-UHFFFAOYSA-N 1 0 297.359 1.219 20 5 CDBDRO C[C@@H]([NH2+]CCC(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000037751777 370055916 /nfs/dbraw/zinc/05/59/16/370055916.db2.gz OLANFALRJAQMRQ-SNVBAGLBSA-N 1 0 265.313 1.724 20 5 CDBDRO CN(C)C(=O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000037751704 370056065 /nfs/dbraw/zinc/05/60/65/370056065.db2.gz CQUJIDJGLOIPQC-UHFFFAOYSA-N 1 0 251.286 1.163 20 5 CDBDRO CO[C@H](C[NH3+])CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000232111545 189815995 /nfs/dbraw/zinc/81/59/95/189815995.db2.gz NQQJWSBYKGDEQY-JTQLQIEISA-N 1 0 267.285 1.206 20 5 CDBDRO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000089182786 370395167 /nfs/dbraw/zinc/39/51/67/370395167.db2.gz PKLYOUHXGCKVJC-UHFFFAOYSA-N 1 0 260.297 1.927 20 5 CDBDRO Cc1nc(NCC[N@@H+](C)C2CC2)ncc1[N+](=O)[O-] ZINC000295512377 370444128 /nfs/dbraw/zinc/44/41/28/370444128.db2.gz LPTMIZTYGRLTFH-UHFFFAOYSA-N 1 0 251.290 1.199 20 5 CDBDRO CC[C@H](CO)[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000295642609 370538440 /nfs/dbraw/zinc/53/84/40/370538440.db2.gz GRFUTPPEJIWUEM-LLVKDONJSA-N 1 0 298.339 1.685 20 5 CDBDRO C[C@@]1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000237503800 370550766 /nfs/dbraw/zinc/55/07/66/370550766.db2.gz OZEWETLPGPAFFY-OAHLLOKOSA-N 1 0 291.351 1.643 20 5 CDBDRO COc1cc(C(=O)NCC[C@H](C)[NH3+])cc([N+](=O)[O-])c1C ZINC000422781297 245249076 /nfs/dbraw/zinc/24/90/76/245249076.db2.gz LMFILFXURNMBPY-QMMMGPOBSA-N 1 0 281.312 1.379 20 5 CDBDRO CCC1(C)CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000441546715 373194666 /nfs/dbraw/zinc/19/46/66/373194666.db2.gz VBTJEWIFKFUXPP-ZDUSSCGKSA-N 1 0 296.371 1.664 20 5 CDBDRO C[C@@H]1OCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000269655498 373370485 /nfs/dbraw/zinc/37/04/85/373370485.db2.gz OBZOBRVVLCJWDM-MJVIPROJSA-N 1 0 280.324 1.737 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000312148836 374278544 /nfs/dbraw/zinc/27/85/44/374278544.db2.gz IRDSXLFDCZNSHW-FWWRYZNZSA-N 1 0 275.308 1.558 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000312149085 374278658 /nfs/dbraw/zinc/27/86/58/374278658.db2.gz UYXGBYXTKNUPNT-DGMVEKRQSA-N 1 0 275.308 1.428 20 5 CDBDRO C[C@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])[NH+](C)C ZINC000420580986 374298292 /nfs/dbraw/zinc/29/82/92/374298292.db2.gz GIOSTXLOXAOYQU-MRVPVSSYSA-N 1 0 266.301 1.056 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC3(CCC3)CC2)c1 ZINC000368600282 374319999 /nfs/dbraw/zinc/31/99/99/374319999.db2.gz BLXNKVSZOOHOOD-ZDUSSCGKSA-N 1 0 294.355 1.418 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000299043797 374323818 /nfs/dbraw/zinc/32/38/18/374323818.db2.gz SAAZLUXQBFDMPU-MNOVXSKESA-N 1 0 294.355 1.773 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000369339151 374351827 /nfs/dbraw/zinc/35/18/27/374351827.db2.gz MEEGSDAXJSACRA-OCCSQVGLSA-N 1 0 289.335 1.348 20 5 CDBDRO C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)[NH3+] ZINC000423844076 246138570 /nfs/dbraw/zinc/13/85/70/246138570.db2.gz LLFZMGNVDQYTMB-SFYZADRCSA-N 1 0 285.731 1.848 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423518730 374388472 /nfs/dbraw/zinc/38/84/72/374388472.db2.gz OYURCUBWHNTIIN-UHFFFAOYSA-N 1 0 288.307 1.434 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(CO)CCOCC2)cc1 ZINC000225452261 374425868 /nfs/dbraw/zinc/42/58/68/374425868.db2.gz ZMKICWIWCXOKTN-UHFFFAOYSA-N 1 0 280.324 1.268 20 5 CDBDRO O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCc2c1cccc2[N+](=O)[O-] ZINC000375256398 374498026 /nfs/dbraw/zinc/49/80/26/374498026.db2.gz QNTMLZWROVGOFJ-IAQYHMDHSA-N 1 0 287.319 1.484 20 5 CDBDRO COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc([N+](=O)[O-])c1C ZINC000423954669 246249882 /nfs/dbraw/zinc/24/98/82/246249882.db2.gz BYELPURZMYWCDO-LDYMZIIASA-N 1 0 293.323 1.331 20 5 CDBDRO CC(=O)NCCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429244126 374576820 /nfs/dbraw/zinc/57/68/20/374576820.db2.gz JIAWCXXGIZSQOJ-UHFFFAOYSA-N 1 0 279.340 1.946 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000274547965 374676790 /nfs/dbraw/zinc/67/67/90/374676790.db2.gz GYNDPDBXRHHBBH-UHFFFAOYSA-N 1 0 295.314 1.900 20 5 CDBDRO C[C@H](Nc1cccc(F)c1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000154771740 374748866 /nfs/dbraw/zinc/74/88/66/374748866.db2.gz QCBJMLALCMLGGL-CABZTGNLSA-N 1 0 283.303 1.865 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000447911844 374721001 /nfs/dbraw/zinc/72/10/01/374721001.db2.gz FOLSFGYZNHYDLB-WCQYABFASA-N 1 0 296.323 1.103 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000277193996 374776916 /nfs/dbraw/zinc/77/69/16/374776916.db2.gz OZGXONKKIMKIRL-LLVKDONJSA-N 1 0 264.329 1.910 20 5 CDBDRO C[C@H](CO)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331012985 374879667 /nfs/dbraw/zinc/87/96/67/374879667.db2.gz NUYTVSIOYCPITI-VWYCJHECSA-N 1 0 268.317 1.245 20 5 CDBDRO Cn1c(C(=O)NCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000330391599 374848600 /nfs/dbraw/zinc/84/86/00/374848600.db2.gz HWVXHNUHIGUBDG-UHFFFAOYSA-N 1 0 294.355 1.539 20 5 CDBDRO Cn1c(C(=O)NCC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000330533639 374862565 /nfs/dbraw/zinc/86/25/65/374862565.db2.gz QUUHPCQNBZDNRO-UHFFFAOYSA-N 1 0 282.344 1.251 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000280260925 374987779 /nfs/dbraw/zinc/98/77/79/374987779.db2.gz JVMWPFYDULOCIB-STQMWFEESA-N 1 0 280.324 1.329 20 5 CDBDRO CC[NH+](CC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000282392451 375084161 /nfs/dbraw/zinc/08/41/61/375084161.db2.gz OLHUTFGMMMHPJZ-UHFFFAOYSA-N 1 0 265.313 1.899 20 5 CDBDRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000332696553 375044333 /nfs/dbraw/zinc/04/43/33/375044333.db2.gz WJWITNAAXZTPBC-SECBINFHSA-N 1 0 266.301 1.089 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1c(F)cccc1[N+](=O)[O-] ZINC000493545281 375462031 /nfs/dbraw/zinc/46/20/31/375462031.db2.gz LZZZUWUKCCALBQ-AOOOYVTPSA-N 1 0 267.304 1.916 20 5 CDBDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000352770724 375536672 /nfs/dbraw/zinc/53/66/72/375536672.db2.gz TZYWLGMZHKWOJX-GWCFXTLKSA-N 1 0 280.324 1.806 20 5 CDBDRO C[C@@H]1CSC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000352799987 375540012 /nfs/dbraw/zinc/54/00/12/375540012.db2.gz ZGCPVGLPZNXIML-PSASIEDQSA-N 1 0 256.331 1.132 20 5 CDBDRO Cc1nn(C)c(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000227497687 375544315 /nfs/dbraw/zinc/54/43/15/375544315.db2.gz URSHFVKPLVZEJE-WCBMZHEXSA-N 1 0 267.333 1.531 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC(=O)N(C)C1 ZINC000344830141 375550188 /nfs/dbraw/zinc/55/01/88/375550188.db2.gz RBGYOILXVFERHE-VKUYVZBCSA-N 1 0 289.335 1.818 20 5 CDBDRO CCC[C@H]([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000353445436 375609782 /nfs/dbraw/zinc/60/97/82/375609782.db2.gz WTONOJXDIQAYPY-NSHDSACASA-N 1 0 281.312 1.347 20 5 CDBDRO Cn1cnc(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000344888368 375648818 /nfs/dbraw/zinc/64/88/18/375648818.db2.gz RDWVKEDRKWGYTP-GQCTYLIASA-N 1 0 287.323 1.569 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000261574695 190041165 /nfs/dbraw/zinc/04/11/65/190041165.db2.gz MVSBSURZBMKKBS-SECBINFHSA-N 1 0 251.286 1.241 20 5 CDBDRO CCCC1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000232974277 375941938 /nfs/dbraw/zinc/94/19/38/375941938.db2.gz RWAGAVKNRGHUNR-LBPRGKRZSA-N 1 0 282.344 1.322 20 5 CDBDRO C[C@H]([NH2+]C[C@H](O)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000358048705 375948065 /nfs/dbraw/zinc/94/80/65/375948065.db2.gz PWRMEUWVYSHYHR-SUHUHFCYSA-N 1 0 280.324 1.643 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@H]1CCNC1=O ZINC000347361514 376010913 /nfs/dbraw/zinc/01/09/13/376010913.db2.gz PBABBDCPQSWQPJ-ZHZWZMEUSA-N 1 0 289.335 1.818 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261674542 190042516 /nfs/dbraw/zinc/04/25/16/190042516.db2.gz GCEQPOAWDXDQDR-DGCLKSJQSA-N 1 0 275.308 1.419 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261732237 190043448 /nfs/dbraw/zinc/04/34/48/190043448.db2.gz LFRHPLSADLIEAO-ZYHUDNBSSA-N 1 0 275.308 1.419 20 5 CDBDRO C[NH2+]CCC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000262389796 190053865 /nfs/dbraw/zinc/05/38/65/190053865.db2.gz OCIJEYSUKODSPX-JTQLQIEISA-N 1 0 265.313 1.690 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000307916894 376316943 /nfs/dbraw/zinc/31/69/43/376316943.db2.gz YUCDMRMSSQOXPO-SBDDDAINSA-N 1 0 289.335 1.865 20 5 CDBDRO CC[N@@H+]1CC[C@H](N(C)c2c([N+](=O)[O-])ncn2C)C[C@H]1C ZINC000354354676 376330907 /nfs/dbraw/zinc/33/09/07/376330907.db2.gz VJCWINZSZZDHMN-MNOVXSKESA-N 1 0 281.360 1.637 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000262759737 190062223 /nfs/dbraw/zinc/06/22/23/190062223.db2.gz IHIHULSKXXWFLS-NWDGAFQWSA-N 1 0 291.351 1.736 20 5 CDBDRO CCc1n[nH]c(C(=O)N(C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000264095532 190091271 /nfs/dbraw/zinc/09/12/71/190091271.db2.gz BJXKTIQFCILSIS-UHFFFAOYSA-N 1 0 295.343 1.047 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])o2)CCOCC1 ZINC000265102996 190158247 /nfs/dbraw/zinc/15/82/47/190158247.db2.gz PVQZDDQZTVSWCF-UHFFFAOYSA-N 1 0 297.311 1.028 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000266111423 190231184 /nfs/dbraw/zinc/23/11/84/190231184.db2.gz UGIBTPFYOMHTRT-JTQLQIEISA-N 1 0 265.313 1.583 20 5 CDBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000278750859 194137211 /nfs/dbraw/zinc/13/72/11/194137211.db2.gz WKPIKRUXJYWXHY-UONOGXRCSA-N 1 0 280.324 1.878 20 5 CDBDRO COCC[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266544346 190266158 /nfs/dbraw/zinc/26/61/58/190266158.db2.gz RERQGCATHICHKO-UHFFFAOYSA-N 1 0 284.312 1.560 20 5 CDBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCCO)CC2)cc1 ZINC000174245858 379411827 /nfs/dbraw/zinc/41/18/27/379411827.db2.gz ZNNSUTFNXOHWFA-UHFFFAOYSA-N 1 0 280.324 1.820 20 5 CDBDRO CN(CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCC[N@H+](C)C1 ZINC000174864962 379597067 /nfs/dbraw/zinc/59/70/67/379597067.db2.gz HKIHRNUYQSMHRF-LBPRGKRZSA-N 1 0 281.360 1.065 20 5 CDBDRO Cc1cc(N(C)[C@@H]2CCC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC000267043668 190299289 /nfs/dbraw/zinc/29/92/89/190299289.db2.gz CZRLQNRGYQMANT-LLVKDONJSA-N 1 0 264.329 1.829 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000268206100 190386456 /nfs/dbraw/zinc/38/64/56/190386456.db2.gz JSBBNXVKPXSPGV-YGRLFVJLSA-N 1 0 289.335 1.807 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000449643173 250947831 /nfs/dbraw/zinc/94/78/31/250947831.db2.gz YTGXRTSYYPSIHY-JQWIXIFHSA-N 1 0 277.324 1.842 20 5 CDBDRO Cc1cnc(NC[C@@H]2CCC[N@@H+]2CCCO)c([N+](=O)[O-])c1 ZINC000450600033 251360852 /nfs/dbraw/zinc/36/08/52/251360852.db2.gz UWMXEWHHSLGKKF-LBPRGKRZSA-N 1 0 294.355 1.557 20 5 CDBDRO CC(C)[C@H](CO)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000451604419 251769052 /nfs/dbraw/zinc/76/90/52/251769052.db2.gz YVBHZKORWGESLY-JSGCOSHPSA-N 1 0 298.387 1.670 20 5 CDBDRO C[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000453405853 252313818 /nfs/dbraw/zinc/31/38/18/252313818.db2.gz QPPJBKNLGSAHDS-HZMBPMFUSA-N 1 0 277.324 1.914 20 5 CDBDRO CO[C@@](C)([C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000411935204 533018295 /nfs/dbraw/zinc/01/82/95/533018295.db2.gz BCOXPROINYRMPB-GWCFXTLKSA-N 1 0 282.344 1.585 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493100005 253369487 /nfs/dbraw/zinc/36/94/87/253369487.db2.gz AFOWDOCFYNYCLG-SGRBOOSSSA-N 1 0 281.287 1.601 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)nc1 ZINC000072089512 285128425 /nfs/dbraw/zinc/12/84/25/285128425.db2.gz VHUIQLLNSWCNRV-GFCCVEGCSA-N 1 0 262.313 1.664 20 5 CDBDRO O=[N+]([O-])c1cccnc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000301724069 285166982 /nfs/dbraw/zinc/16/69/82/285166982.db2.gz OPPIJFQWGIZNTA-GFCCVEGCSA-N 1 0 292.339 1.655 20 5 CDBDRO CC[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCCO1 ZINC000281355529 195208597 /nfs/dbraw/zinc/20/85/97/195208597.db2.gz KXBGEEZHEPGWKP-NSHDSACASA-N 1 0 268.317 1.292 20 5 CDBDRO CO[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000359042140 390209200 /nfs/dbraw/zinc/20/92/00/390209200.db2.gz KEHGOTMZDKDQBH-GHMZBOCLSA-N 1 0 297.330 1.672 20 5 CDBDRO C[NH+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286959992 390314926 /nfs/dbraw/zinc/31/49/26/390314926.db2.gz NCMGBRNXYFYFTM-UHFFFAOYSA-N 1 0 279.325 1.351 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000320784267 390520612 /nfs/dbraw/zinc/52/06/12/390520612.db2.gz FBLXSWOTGXQYBJ-RNFRBKRXSA-N 1 0 257.315 1.512 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)n1 ZINC000451496847 390627233 /nfs/dbraw/zinc/62/72/33/390627233.db2.gz KNLFAXWHMYRXJF-RAIGVLPGSA-N 1 0 292.339 1.339 20 5 CDBDRO CCO[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000451550915 390631048 /nfs/dbraw/zinc/63/10/48/390631048.db2.gz XGABTLUODIIEIF-AAEUAGOBSA-N 1 0 282.344 1.538 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)n1 ZINC000451605859 390635560 /nfs/dbraw/zinc/63/55/60/390635560.db2.gz LLYGOLHCYHCJGB-JSGCOSHPSA-N 1 0 294.355 1.178 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(CF)CC2)c1 ZINC000451388745 390614856 /nfs/dbraw/zinc/61/48/56/390614856.db2.gz MGVVYBBTYDZIPE-UHFFFAOYSA-N 1 0 256.281 1.473 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451379109 390615268 /nfs/dbraw/zinc/61/52/68/390615268.db2.gz YYLRZJFUUHCSCI-YXMPFFBPSA-N 1 0 288.351 1.972 20 5 CDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1CCCCNC1=O ZINC000285381307 390818369 /nfs/dbraw/zinc/81/83/69/390818369.db2.gz RRUTYNRFDKCPCV-AWEZNQCLSA-N 1 0 291.351 1.738 20 5 CDBDRO O=C(CCN1CCC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000430918797 390942349 /nfs/dbraw/zinc/94/23/49/390942349.db2.gz IXTXODKQDNSVNT-UHFFFAOYSA-N 1 0 292.339 1.219 20 5 CDBDRO CC(C)(CNC(=O)c1[nH]ncc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000158879317 390942623 /nfs/dbraw/zinc/94/26/23/390942623.db2.gz LICWXZZGKUZZOE-UHFFFAOYSA-N 1 0 295.343 1.312 20 5 CDBDRO COC[C@]1(CO)CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000451924148 390905136 /nfs/dbraw/zinc/90/51/36/390905136.db2.gz IGUIILSKDAPSHA-SWLSCSKDSA-N 1 0 294.351 1.987 20 5 CDBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000411745420 390968139 /nfs/dbraw/zinc/96/81/39/390968139.db2.gz PLEPHOWIHYLDSW-LLVKDONJSA-N 1 0 295.339 1.626 20 5 CDBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000411771367 390968265 /nfs/dbraw/zinc/96/82/65/390968265.db2.gz PLEPHOWIHYLDSW-NSHDSACASA-N 1 0 295.339 1.626 20 5 CDBDRO C[C@@H]1C[C@H](O)C[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000412033840 391051615 /nfs/dbraw/zinc/05/16/15/391051615.db2.gz JMSWBSZTQIQDBN-NEPJUHHUSA-N 1 0 280.324 1.676 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000311434811 533572170 /nfs/dbraw/zinc/57/21/70/533572170.db2.gz DUJNEDLODODVPI-PORFMDCZSA-N 1 0 263.297 1.462 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\CNC[C@H]1C[NH2+]CCCO1 ZINC000415043576 391249862 /nfs/dbraw/zinc/24/98/62/391249862.db2.gz RSDQLCVOADVTKD-XSHSDMCLSA-N 1 0 291.351 1.576 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000194916553 391372356 /nfs/dbraw/zinc/37/23/56/391372356.db2.gz UPSFKJMVZHEVOG-ZETCQYMHSA-N 1 0 271.704 1.254 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000415502713 391467586 /nfs/dbraw/zinc/46/75/86/391467586.db2.gz NPFFSPXVRQVBRI-LLVKDONJSA-N 1 0 294.311 1.013 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]([NH3+])C1 ZINC000415502723 391467663 /nfs/dbraw/zinc/46/76/63/391467663.db2.gz NRIRAKOZNSPLHO-VIFPVBQESA-N 1 0 264.285 1.468 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415634239 391470112 /nfs/dbraw/zinc/47/01/12/391470112.db2.gz SCPKOTYKELSGRY-BQBZGAKWSA-N 1 0 270.264 1.591 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH2+]CC1 ZINC000415754928 391471518 /nfs/dbraw/zinc/47/15/18/391471518.db2.gz CJKDTEHGKZXINW-UHFFFAOYSA-N 1 0 278.312 1.594 20 5 CDBDRO COc1ccc(NC(=O)NCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000415430031 391414212 /nfs/dbraw/zinc/41/42/12/391414212.db2.gz BUWKMLQXDDHYIZ-UHFFFAOYSA-N 1 0 294.311 1.606 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000449586391 391632379 /nfs/dbraw/zinc/63/23/79/391632379.db2.gz GBPMOIOZBNCAKA-RKDXNWHRSA-N 1 0 283.353 1.539 20 5 CDBDRO COc1cccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1F ZINC000192697346 391773458 /nfs/dbraw/zinc/77/34/58/391773458.db2.gz VIFSJWLNDSGCCO-UHFFFAOYSA-N 1 0 294.286 1.729 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CNCC1([NH3+])CCC1 ZINC000342120938 130276966 /nfs/dbraw/zinc/27/69/66/130276966.db2.gz AKMFVOCSBFFBOC-UHFFFAOYSA-N 1 0 292.339 1.313 20 5 CDBDRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000054369926 391841292 /nfs/dbraw/zinc/84/12/92/391841292.db2.gz HNSDIKGNJCNZDH-QMMMGPOBSA-N 1 0 283.715 1.682 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(C)C1=O ZINC000449179066 392047177 /nfs/dbraw/zinc/04/71/77/392047177.db2.gz VDKSLVMKCNFGBH-YPMHNXCESA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CC[NH2+]1 ZINC000420209278 392903665 /nfs/dbraw/zinc/90/36/65/392903665.db2.gz ROLIAWRVXNVDEL-VIFPVBQESA-N 1 0 273.296 1.336 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)N[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417843936 392874359 /nfs/dbraw/zinc/87/43/59/392874359.db2.gz HDJMQLNAAFMFDC-PWSUYJOCSA-N 1 0 292.339 1.625 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417947120 392875756 /nfs/dbraw/zinc/87/57/56/392875756.db2.gz RXOCYZFWXBHQNV-NSHDSACASA-N 1 0 280.328 1.174 20 5 CDBDRO CC[NH2+][C@H](C)CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423389656 392962552 /nfs/dbraw/zinc/96/25/52/392962552.db2.gz VKQMCUSCLMANOD-AGIUHOORSA-N 1 0 295.387 1.863 20 5 CDBDRO Cc1c(CC(=O)N2CC[C@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000423605761 392965508 /nfs/dbraw/zinc/96/55/08/392965508.db2.gz HLFRHIBMVYNTDX-OAHLLOKOSA-N 1 0 291.351 1.643 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@](C)(O)C1 ZINC000430208375 393093010 /nfs/dbraw/zinc/09/30/10/393093010.db2.gz OQSKDEMZYXXFPN-AWEZNQCLSA-N 1 0 280.324 1.950 20 5 CDBDRO C[NH2+][C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430627129 393102922 /nfs/dbraw/zinc/10/29/22/393102922.db2.gz SUMJHRWOVMNUCA-GFCCVEGCSA-N 1 0 292.339 1.217 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)C2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000449310528 393133824 /nfs/dbraw/zinc/13/38/24/393133824.db2.gz HILUMGOVUPKFDL-JTQLQIEISA-N 1 0 277.324 1.962 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000449590557 393136101 /nfs/dbraw/zinc/13/61/01/393136101.db2.gz LICUCDBVOKFFTC-RKDXNWHRSA-N 1 0 292.339 1.635 20 5 CDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000275751255 135111943 /nfs/dbraw/zinc/11/19/43/135111943.db2.gz DFRNXZNCDDDEEK-GFCCVEGCSA-N 1 0 293.367 1.876 20 5 CDBDRO O=C(NCC[C@H]1CCC[NH2+]C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132703995 139857051 /nfs/dbraw/zinc/85/70/51/139857051.db2.gz BDTQRCCDEDBUIE-SNVBAGLBSA-N 1 0 295.314 1.853 20 5 CDBDRO [NH3+]C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000132801448 139857692 /nfs/dbraw/zinc/85/76/92/139857692.db2.gz QMDZFDZNMBIMCA-NSHDSACASA-N 1 0 267.260 1.201 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000216133596 140161417 /nfs/dbraw/zinc/16/14/17/140161417.db2.gz LBHRMRPXZCMMIX-ZJUUUORDSA-N 1 0 278.312 1.796 20 5 CDBDRO Cc1c(CNC(=O)[C@]2(C)CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000231856114 140219477 /nfs/dbraw/zinc/21/94/77/140219477.db2.gz ULSJQLGMQKIELX-CQSZACIVSA-N 1 0 277.324 1.519 20 5 CDBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000235323890 140234028 /nfs/dbraw/zinc/23/40/28/140234028.db2.gz MYLXZJPSRFLRES-KCJUWKMLSA-N 1 0 264.285 1.406 20 5 CDBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235722775 140237595 /nfs/dbraw/zinc/23/75/95/140237595.db2.gz BNQLKASMBRFKOH-UWVGGRQHSA-N 1 0 299.352 1.014 20 5 CDBDRO O=[N+]([O-])c1cccc(Cl)c1NC[C@H]1C[NH2+]CCO1 ZINC000236048574 140239261 /nfs/dbraw/zinc/23/92/61/140239261.db2.gz IQPJJKIGMVOPIN-MRVPVSSYSA-N 1 0 271.704 1.649 20 5 CDBDRO CCC[C@@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000236928769 140249787 /nfs/dbraw/zinc/24/97/87/140249787.db2.gz XJGXVKCXOCCKQL-CYBMUJFWSA-N 1 0 277.324 1.607 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000237456108 140253989 /nfs/dbraw/zinc/25/39/89/140253989.db2.gz GQOFEUNURLHXFP-ZETCQYMHSA-N 1 0 271.704 1.667 20 5 CDBDRO COc1ccc(C(=O)N[C@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000261595661 140360120 /nfs/dbraw/zinc/36/01/20/140360120.db2.gz IESBXKPVKGMDRL-GFCCVEGCSA-N 1 0 295.339 1.707 20 5 CDBDRO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]12 ZINC000261726101 140381311 /nfs/dbraw/zinc/38/13/11/140381311.db2.gz KUICMVHKYWBXMW-MRCXROJRSA-N 1 0 279.315 1.903 20 5 CDBDRO C[C@H]([NH2+]CCc1ncn(C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000094984719 147104863 /nfs/dbraw/zinc/10/48/63/147104863.db2.gz QSRKUUNGFSOFCA-JTQLQIEISA-N 1 0 275.312 1.617 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NCCC[NH+]1CCCC1 ZINC000105882153 147233343 /nfs/dbraw/zinc/23/33/43/147233343.db2.gz RNUDMBSIZYNZHL-UHFFFAOYSA-N 1 0 253.306 1.226 20 5 CDBDRO COc1cc(N2CC[C@@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000261606138 148979174 /nfs/dbraw/zinc/97/91/74/148979174.db2.gz RLMDGCYXZBXJPK-ZDUSSCGKSA-N 1 0 265.313 1.779 20 5 CDBDRO CN1C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000312050716 149226170 /nfs/dbraw/zinc/22/61/70/149226170.db2.gz BYBBNTDHKWKHFN-VIFPVBQESA-N 1 0 283.715 1.569 20 5 CDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[N@@H+]1CCCC[C@@H]1C ZINC000343069700 152019685 /nfs/dbraw/zinc/01/96/85/152019685.db2.gz ZYDQRUKXCRJRLX-WDEREUQCSA-N 1 0 294.355 1.916 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000346224294 153103397 /nfs/dbraw/zinc/10/33/97/153103397.db2.gz NHPJGBDWYQVRFN-SNVBAGLBSA-N 1 0 281.312 1.040 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000168694668 292282749 /nfs/dbraw/zinc/28/27/49/292282749.db2.gz YHYXXBZBCPVYMX-WDEREUQCSA-N 1 0 277.324 1.713 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC[C@H](CO)O2)cc1 ZINC000353714169 156033788 /nfs/dbraw/zinc/03/37/88/156033788.db2.gz WLOLDKFYQLSWCY-QWHCGFSZSA-N 1 0 266.297 1.224 20 5 CDBDRO Cc1c(CNC(=O)N[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000355529003 157102645 /nfs/dbraw/zinc/10/26/45/157102645.db2.gz SBZJNIKRLLNSNY-SNVBAGLBSA-N 1 0 294.355 1.653 20 5 CDBDRO CC[NH2+][C@@H](C)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000358947275 158079846 /nfs/dbraw/zinc/07/98/46/158079846.db2.gz SKYAHDKCNHJISG-NSHDSACASA-N 1 0 293.367 1.987 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359472435 158257263 /nfs/dbraw/zinc/25/72/63/158257263.db2.gz LSURVESSMXGPPC-DRYSKOCLSA-N 1 0 273.336 1.759 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000366553293 159386186 /nfs/dbraw/zinc/38/61/86/159386186.db2.gz GSJYJSIVTCYTJF-IUCAKERBSA-N 1 0 297.286 1.033 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N(C1CC1)C1CC[NH2+]CC1 ZINC000372027223 160070935 /nfs/dbraw/zinc/07/09/35/160070935.db2.gz WFBLXJDZQNELOS-UHFFFAOYSA-N 1 0 279.296 1.544 20 5 CDBDRO CC[NH+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000021673496 171319313 /nfs/dbraw/zinc/31/93/13/171319313.db2.gz GJYSELYEWCKVBO-UHFFFAOYSA-N 1 0 275.312 1.384 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)CO ZINC000284882003 196149824 /nfs/dbraw/zinc/14/98/24/196149824.db2.gz TUSLDFASDKOEIE-LLVKDONJSA-N 1 0 295.339 1.544 20 5 CDBDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285455925 196289357 /nfs/dbraw/zinc/28/93/57/196289357.db2.gz ZRNWZFFPZRYDIV-VHSXEESVSA-N 1 0 294.355 1.694 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2COCCO2)c1 ZINC000038060799 174071472 /nfs/dbraw/zinc/07/14/72/174071472.db2.gz BTXHOZFYUXKREQ-NSHDSACASA-N 1 0 286.715 1.753 20 5 CDBDRO CC[NH+](CC)CCCNc1ncc([N+](=O)[O-])cn1 ZINC000040454436 174267267 /nfs/dbraw/zinc/26/72/67/174267267.db2.gz GDBOHCDLAUDESH-UHFFFAOYSA-N 1 0 253.306 1.529 20 5 CDBDRO CC(C)COC[C@@H](O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040676045 174373692 /nfs/dbraw/zinc/37/36/92/174373692.db2.gz IYQBSKNHSMUSQN-HNNXBMFYSA-N 1 0 296.367 1.760 20 5 CDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])s1 ZINC000044491977 175180944 /nfs/dbraw/zinc/18/09/44/175180944.db2.gz VCADSUYVGMOEFQ-QMMMGPOBSA-N 1 0 269.326 1.528 20 5 CDBDRO O=C(NCC1CC[NH2+]CC1)c1csc([N+](=O)[O-])c1 ZINC000044503502 175186793 /nfs/dbraw/zinc/18/67/93/175186793.db2.gz QCEQUMHNIKYWOP-UHFFFAOYSA-N 1 0 269.326 1.386 20 5 CDBDRO [NH3+]C[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000044528244 175193234 /nfs/dbraw/zinc/19/32/34/175193234.db2.gz ILJGJFMFTLHXPB-SNVBAGLBSA-N 1 0 263.297 1.406 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000044563213 175206429 /nfs/dbraw/zinc/20/64/29/175206429.db2.gz SFPKKCXVOJBRQG-SECBINFHSA-N 1 0 251.290 1.281 20 5 CDBDRO CCCNC(=O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000045073781 175302852 /nfs/dbraw/zinc/30/28/52/175302852.db2.gz OJBUTFGLCPDQNZ-UHFFFAOYSA-N 1 0 279.340 1.909 20 5 CDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1C)[C@@H]1CC[NH2+]C1 ZINC000071312415 176119265 /nfs/dbraw/zinc/11/92/65/176119265.db2.gz YBJUXVKTBIHXBJ-GFCCVEGCSA-N 1 0 277.324 1.727 20 5 CDBDRO CC[N@H+](C)C[C@@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000072302155 176364894 /nfs/dbraw/zinc/36/48/94/176364894.db2.gz NZSFIFXZURAFQS-JTQLQIEISA-N 1 0 267.333 1.106 20 5 CDBDRO Cc1cc(N[C@@H](C)C[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000078543576 177352208 /nfs/dbraw/zinc/35/22/08/177352208.db2.gz GABFJRGXYXUOQR-ZDUSSCGKSA-N 1 0 292.383 1.951 20 5 CDBDRO [NH3+]C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000313342586 260285783 /nfs/dbraw/zinc/28/57/83/260285783.db2.gz GQGFWRHAGTUCGO-ZDUSSCGKSA-N 1 0 265.313 1.144 20 5 CDBDRO CCc1ccc(C(=O)NCC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000178692718 273768874 /nfs/dbraw/zinc/76/88/74/273768874.db2.gz ZVFVUJQCAMRTJM-VIFPVBQESA-N 1 0 265.313 1.624 20 5 CDBDRO C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000450796753 274363741 /nfs/dbraw/zinc/36/37/41/274363741.db2.gz WHOKRONYBVFIHB-PHIMTYICSA-N 1 0 297.330 1.625 20 5 CDBDRO C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000086470998 274363937 /nfs/dbraw/zinc/36/39/37/274363937.db2.gz BZWQGEHODWJYRU-RKDXNWHRSA-N 1 0 253.277 1.921 20 5 CDBDRO C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000122908268 274369507 /nfs/dbraw/zinc/36/95/07/274369507.db2.gz KNBRVIXZTVHXBT-HTQZYQBOSA-N 1 0 270.720 1.830 20 5 CDBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000331989013 274373566 /nfs/dbraw/zinc/37/35/66/274373566.db2.gz NNWYTAFQCUHWJG-MNOVXSKESA-N 1 0 292.339 1.622 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000127337668 274507761 /nfs/dbraw/zinc/50/77/61/274507761.db2.gz BDDIMYMYDNKCGT-YUMQZZPRSA-N 1 0 281.341 1.478 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000216175897 274620387 /nfs/dbraw/zinc/62/03/87/274620387.db2.gz SWWPNAINXAKPCF-JGVFFNPUSA-N 1 0 281.341 1.478 20 5 CDBDRO Cc1c(NC(=O)NC[C@@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000414718504 274664584 /nfs/dbraw/zinc/66/45/84/274664584.db2.gz ZESBEPNDPQQYDY-QMMMGPOBSA-N 1 0 266.301 1.620 20 5 CDBDRO Cc1nc(N2CC[C@@H]([NH+]3CC=CC3)C2)ncc1[N+](=O)[O-] ZINC000297087983 274842042 /nfs/dbraw/zinc/84/20/42/274842042.db2.gz KHYUSQJVLYZSAB-LLVKDONJSA-N 1 0 275.312 1.144 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000131246217 275035826 /nfs/dbraw/zinc/03/58/26/275035826.db2.gz BALNWEFLDGPPAR-DTORHVGOSA-N 1 0 267.716 1.904 20 5 CDBDRO CC[N@@H+]1CCCC[C@@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000264828517 276157950 /nfs/dbraw/zinc/15/79/50/276157950.db2.gz ZDAZAZRNLSNQQB-SNVBAGLBSA-N 1 0 267.333 1.615 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000422908581 276240278 /nfs/dbraw/zinc/24/02/78/276240278.db2.gz YTIHDNYKNUKTRR-JTQLQIEISA-N 1 0 295.339 1.851 20 5 CDBDRO CC[C@H](CO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449249798 276571129 /nfs/dbraw/zinc/57/11/29/276571129.db2.gz KIYGSEMJMINHTP-ZYHUDNBSSA-N 1 0 252.314 1.886 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000150845332 277273192 /nfs/dbraw/zinc/27/31/92/277273192.db2.gz GFGSSVBDYRPVNB-SECBINFHSA-N 1 0 263.297 1.339 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@H](C[NH3+])C2)c1 ZINC000155919759 277937667 /nfs/dbraw/zinc/93/76/67/277937667.db2.gz VDQGGQJFYFSNID-SNVBAGLBSA-N 1 0 265.313 1.779 20 5 CDBDRO COc1cccc(N2CC[C@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000135060622 278016873 /nfs/dbraw/zinc/01/68/73/278016873.db2.gz UYLQQQBVGNDUMS-ZJUUUORDSA-N 1 0 265.313 1.777 20 5 CDBDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449180553 278057274 /nfs/dbraw/zinc/05/72/74/278057274.db2.gz ADSVJRMWCFPFTK-RISCZKNCSA-N 1 0 291.351 1.736 20 5 CDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccccc1[N+](=O)[O-] ZINC000111829205 279325868 /nfs/dbraw/zinc/32/58/68/279325868.db2.gz MCXHFGPCLSUFEK-JTQLQIEISA-N 1 0 265.313 1.698 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000178635537 279398861 /nfs/dbraw/zinc/39/88/61/279398861.db2.gz UAVBICRRPMQCIA-UWVGGRQHSA-N 1 0 297.380 1.929 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])CCCCC1 ZINC000237585328 280181006 /nfs/dbraw/zinc/18/10/06/280181006.db2.gz IZJBFFQCAJDUAA-UHFFFAOYSA-N 1 0 292.339 1.690 20 5 CDBDRO Cc1c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000186807805 280217343 /nfs/dbraw/zinc/21/73/43/280217343.db2.gz SODYGDUDGVHLMY-JOYOIKCWSA-N 1 0 277.324 1.631 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000262503911 280515667 /nfs/dbraw/zinc/51/56/67/280515667.db2.gz AVPANNBOAPXGRH-ZETCQYMHSA-N 1 0 255.249 1.119 20 5 CDBDRO CCN1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000391515238 280681113 /nfs/dbraw/zinc/68/11/13/280681113.db2.gz QAXLKLXIZBOOHN-NSHDSACASA-N 1 0 263.297 1.305 20 5 CDBDRO CC(C)=CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000514932957 280861360 /nfs/dbraw/zinc/86/13/60/280861360.db2.gz QFJRJWQPZXOPAZ-GFCCVEGCSA-N 1 0 280.324 1.890 20 5 CDBDRO C[N@@H+]1CC[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000521927782 281078856 /nfs/dbraw/zinc/07/88/56/281078856.db2.gz YJBVCUDMMBRFJE-LLVKDONJSA-N 1 0 292.339 1.075 20 5 CDBDRO CC(C)OC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000530686096 281577569 /nfs/dbraw/zinc/57/75/69/281577569.db2.gz INSDHHKHIFGOCH-UHFFFAOYSA-N 1 0 282.344 1.681 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]C2(C)C)c1 ZINC000307909670 289419030 /nfs/dbraw/zinc/41/90/30/289419030.db2.gz GIGPMCWQNTTWJJ-LBPRGKRZSA-N 1 0 277.324 1.774 20 5 CDBDRO COC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000542527221 289548606 /nfs/dbraw/zinc/54/86/06/289548606.db2.gz VMEJCYJGLHQLEW-LBPRGKRZSA-N 1 0 283.328 1.017 20 5 CDBDRO C[C@@H](C(=O)NC[C@@H](C)[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000347849789 289681094 /nfs/dbraw/zinc/68/10/94/289681094.db2.gz NJUSFIBWMPOXON-NXEZZACHSA-N 1 0 297.330 1.904 20 5 CDBDRO Cc1ccnc(N2CCC[C@@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000227077979 292770708 /nfs/dbraw/zinc/77/07/08/292770708.db2.gz FUVXGBANFQBEND-WDEREUQCSA-N 1 0 264.329 1.862 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000563119445 293281494 /nfs/dbraw/zinc/28/14/94/293281494.db2.gz VXOAOXDSOCDBIY-MRVPVSSYSA-N 1 0 267.285 1.071 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[C@@H]2CC[NH2+]C2)cc1CO ZINC000564839851 293428953 /nfs/dbraw/zinc/42/89/53/293428953.db2.gz GGPRUBPDQMCBFJ-JTQLQIEISA-N 1 0 266.297 1.466 20 5 CDBDRO C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000086470999 297078969 /nfs/dbraw/zinc/07/89/69/297078969.db2.gz BZWQGEHODWJYRU-BDAKNGLRSA-N 1 0 253.277 1.921 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000572522416 294640211 /nfs/dbraw/zinc/64/02/11/294640211.db2.gz BZGIJFFGIOFIAP-RKDXNWHRSA-N 1 0 296.327 1.851 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC1CC[NH2+]CC1 ZINC000575352724 295095860 /nfs/dbraw/zinc/09/58/60/295095860.db2.gz CVUWWVOARMTPCJ-UHFFFAOYSA-N 1 0 278.312 1.146 20 5 CDBDRO NC(=O)c1ccc(N[C@H]2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000089108860 295249117 /nfs/dbraw/zinc/24/91/17/295249117.db2.gz VMFWNJYDEBTUMT-QWRGUYRKSA-N 1 0 292.339 1.623 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000422848605 295255402 /nfs/dbraw/zinc/25/54/02/295255402.db2.gz AXSANBPOWXQGPX-WPRPVWTQSA-N 1 0 278.312 1.034 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCC[NH3+] ZINC000575105787 316958526 /nfs/dbraw/zinc/95/85/26/316958526.db2.gz GQTNXWSUWDPJBJ-UHFFFAOYSA-N 1 0 282.300 1.416 20 5 CDBDRO COc1ccc(CC(=O)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000575399995 316993958 /nfs/dbraw/zinc/99/39/58/316993958.db2.gz GBUFBQDRIWFENE-NSHDSACASA-N 1 0 293.323 1.014 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000576347147 317122451 /nfs/dbraw/zinc/12/24/51/317122451.db2.gz KQVVRDDQRILJEU-VHSXEESVSA-N 1 0 292.339 1.376 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000193119083 323526408 /nfs/dbraw/zinc/52/64/08/323526408.db2.gz CDBHKZYTFRJYQA-UHFFFAOYSA-N 1 0 279.340 1.975 20 5 CDBDRO C[C@H]1[NH2+]CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000379495633 323601611 /nfs/dbraw/zinc/60/16/11/323601611.db2.gz PVSFWIBCHKAOKZ-GHMZBOCLSA-N 1 0 292.339 1.216 20 5 CDBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C1(C[NH3+])CCC1 ZINC000385503653 323708028 /nfs/dbraw/zinc/70/80/28/323708028.db2.gz QOFHMPDZMHUPON-UHFFFAOYSA-N 1 0 281.287 1.687 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000578969185 324067652 /nfs/dbraw/zinc/06/76/52/324067652.db2.gz NCTIRZLPBLFKQN-JTQLQIEISA-N 1 0 280.328 1.250 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1N1CC[C@@H]3[NH2+]CC[C@@H]3C1)CCN2 ZINC000579817528 324288594 /nfs/dbraw/zinc/28/85/94/324288594.db2.gz OWRSUEUKPADNFR-PWSUYJOCSA-N 1 0 288.351 1.751 20 5 CDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000580090058 324366482 /nfs/dbraw/zinc/36/64/82/324366482.db2.gz JUGBVXJOOCWGOK-VXGBXAGGSA-N 1 0 290.323 1.720 20 5 CDBDRO COC[C@](C)(O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000583316041 325150226 /nfs/dbraw/zinc/15/02/26/325150226.db2.gz QMAXINUNRCPAIH-HUUCEWRRSA-N 1 0 294.351 1.959 20 5 CDBDRO Cc1nc(N[C@@H]2C[NH2+]CC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000584282289 327216050 /nfs/dbraw/zinc/21/60/50/327216050.db2.gz WEIDRKJTAPZCGL-IONNQARKSA-N 1 0 251.290 1.103 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2ncnc(Cl)c2n1C ZINC001231112473 1161929255 /nfs/dbraw/zinc/92/92/55/1161929255.db2.gz LGDWACTVDJOXHL-QMMMGPOBSA-N 1 0 284.771 1.490 20 5 CDBDRO O=C(CN[C@H]1CC[C@@H](C[N+](=O)[O-])C1)OCc1ccccc1 ZINC001168966805 1161996213 /nfs/dbraw/zinc/99/62/13/1161996213.db2.gz LGGGGFCPJJTWNH-KGLIPLIRSA-N 1 0 292.335 1.765 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1NCC[C@H]1CCC[NH2+]1 ZINC001169564899 1162012418 /nfs/dbraw/zinc/01/24/18/1162012418.db2.gz ZLUNMUDZTBOCIZ-SNVBAGLBSA-N 1 0 293.323 1.935 20 5 CDBDRO C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000153872686 534305575 /nfs/dbraw/zinc/30/55/75/534305575.db2.gz GUINPVRCRSYOEV-PHIMTYICSA-N 1 0 292.339 1.216 20 5 CDBDRO CC(C)([NH3+])CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000405868635 1186580473 /nfs/dbraw/zinc/58/04/73/1186580473.db2.gz AZCPERDQYQAYSF-UHFFFAOYSA-N 1 0 269.276 1.591 20 5 CDBDRO C[NH2+][C@H]1CCCN(c2cc(OC)c([N+](=O)[O-])cc2F)C1 ZINC000227860012 522498292 /nfs/dbraw/zinc/49/82/92/522498292.db2.gz SPZYQIDJJWRYDD-VIFPVBQESA-N 1 0 283.303 1.931 20 5 CDBDRO COc1cc(NC[C@@H]([NH3+])C2CC2)c(F)cc1[N+](=O)[O-] ZINC000227860860 522745139 /nfs/dbraw/zinc/74/51/39/522745139.db2.gz RUDVVMJQISGJSL-SECBINFHSA-N 1 0 269.276 1.892 20 5 CDBDRO C[C@H](CNc1c([N+](=O)[O-])ncn1C)[N@H+](C)C1CC1 ZINC000068913365 524504768 /nfs/dbraw/zinc/50/47/68/524504768.db2.gz DQEPLNBXBHDPCR-MRVPVSSYSA-N 1 0 253.306 1.223 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC(C)(C)C[NH3+] ZINC000063020074 525560925 /nfs/dbraw/zinc/56/09/25/525560925.db2.gz HEXCMIBMDVXRNX-UHFFFAOYSA-N 1 0 251.286 1.370 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000163506178 526260156 /nfs/dbraw/zinc/26/01/56/526260156.db2.gz CJHXRHNWPGCPDA-WCQYABFASA-N 1 0 291.351 1.960 20 5 CDBDRO O=[N+]([O-])c1cc(F)c(NC[C@H]2CC[NH2+]C2)c(F)c1 ZINC000236206768 527337212 /nfs/dbraw/zinc/33/72/12/527337212.db2.gz CNFIYFOYTQZYCP-ZETCQYMHSA-N 1 0 257.240 1.894 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](CC3CC3)C2)c1 ZINC000339678343 527415912 /nfs/dbraw/zinc/41/59/12/527415912.db2.gz LFTYPJXDXWVDKZ-OCCSQVGLSA-N 1 0 294.355 1.274 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417931261 529059848 /nfs/dbraw/zinc/05/98/48/529059848.db2.gz BWKOAZCGAWXEBN-CYBMUJFWSA-N 1 0 294.355 1.420 20 5 CDBDRO CC1(NC(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000189334081 535185490 /nfs/dbraw/zinc/18/54/90/535185490.db2.gz KGNGVHDGDWBKFF-UHFFFAOYSA-N 1 0 263.297 1.467 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[NH2+]C ZINC000415655921 535429766 /nfs/dbraw/zinc/42/97/66/535429766.db2.gz KRDXCVWCAFUDCO-UHFFFAOYSA-N 1 0 296.327 1.725 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000216234958 536144168 /nfs/dbraw/zinc/14/41/68/536144168.db2.gz PEZDNCRUGFGDMM-WCBMZHEXSA-N 1 0 267.333 1.293 20 5 CDBDRO O=[N+]([O-])c1cccc(CN2CC[NH+](CCCCO)CC2)c1 ZINC000728288400 574626218 /nfs/dbraw/zinc/62/62/18/574626218.db2.gz IFWPETWGTXFQFL-UHFFFAOYSA-N 1 0 293.367 1.485 20 5 CDBDRO C[C@H]([NH2+][C@H](CO)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000763062115 576706203 /nfs/dbraw/zinc/70/62/03/576706203.db2.gz ACQVHPFDBCAAKN-TVQRCGJNSA-N 1 0 293.323 1.282 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CCO)C2CC2)cc1 ZINC000763061729 576706296 /nfs/dbraw/zinc/70/62/96/576706296.db2.gz YRAXOPUSUMSPIG-CQSZACIVSA-N 1 0 264.325 1.888 20 5 CDBDRO CCC[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749949202 576969584 /nfs/dbraw/zinc/96/95/84/576969584.db2.gz LPCMDPWRMCQTKV-UHFFFAOYSA-N 1 0 263.301 1.947 20 5 CDBDRO COc1c(O)ccc(C[N@H+](CCO)CC2CC2)c1[N+](=O)[O-] ZINC000891808256 617601290 /nfs/dbraw/zinc/60/12/90/617601290.db2.gz UGAZEZUHXKGYLC-UHFFFAOYSA-N 1 0 296.323 1.513 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2ccc3nonc3c2[N+](=O)[O-])C1 ZINC000892288254 617698872 /nfs/dbraw/zinc/69/88/72/617698872.db2.gz MADKVNQZSUQKJT-SECBINFHSA-N 1 0 291.311 1.661 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2C2OCCO2)cc1 ZINC000933903091 617734559 /nfs/dbraw/zinc/73/45/59/617734559.db2.gz GTKKJAYXWWQFEQ-CQSZACIVSA-N 1 0 292.335 1.975 20 5 CDBDRO CC[N@@H+]1CCCN(c2ccc3nonc3c2[N+](=O)[O-])CC1 ZINC000892427024 618185694 /nfs/dbraw/zinc/18/56/94/618185694.db2.gz YMHOJCGFROBGKR-UHFFFAOYSA-N 1 0 291.311 1.663 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(c2ccc3nonc3c2[N+](=O)[O-])C1 ZINC000893118709 618196860 /nfs/dbraw/zinc/19/68/60/618196860.db2.gz IPUDHIRNRYZMOW-SECBINFHSA-N 1 0 291.311 1.519 20 5 CDBDRO COc1ccc(C(=O)NC[C@@H]2CCN2C)cc1[N+](=O)[O-] ZINC000928571901 619418243 /nfs/dbraw/zinc/41/82/43/619418243.db2.gz DVCZMIWOCPTEII-JTQLQIEISA-N 1 0 279.296 1.037 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000895245346 619486386 /nfs/dbraw/zinc/48/63/86/619486386.db2.gz FTPRLVFXACJEAC-WFASDCNBSA-N 1 0 292.383 1.949 20 5 CDBDRO C[C@@H](Nc1c(F)cccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895247136 619492543 /nfs/dbraw/zinc/49/25/43/619492543.db2.gz TUDRQTSDXFYBAW-MFKMUULPSA-N 1 0 296.346 1.780 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2C[C@H](CO)C2)n1 ZINC000927148625 621877295 /nfs/dbraw/zinc/87/72/95/621877295.db2.gz TUBZERHQBNUBFG-FDYHWXHSSA-N 1 0 294.355 1.636 20 5 CDBDRO O=[N+]([O-])CCNC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000899859306 622486849 /nfs/dbraw/zinc/48/68/49/622486849.db2.gz IWPCIPHMSSSMAL-LLVKDONJSA-N 1 0 269.370 1.751 20 5 CDBDRO CCOc1ccc([C@@H](C)[NH2+]CCCON)cc1[N+](=O)[O-] ZINC000902423799 624793115 /nfs/dbraw/zinc/79/31/15/624793115.db2.gz IKVLQWCALMNYQQ-SNVBAGLBSA-N 1 0 283.328 1.925 20 5 CDBDRO CC(C)[C@H](CNCC[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000905092052 626635061 /nfs/dbraw/zinc/63/50/61/626635061.db2.gz CBGAQILUPBTRNS-ZDUSSCGKSA-N 1 0 257.378 1.753 20 5 CDBDRO COc1ccccc1OC[C@@H](C)C[NH2+]CC[N+](=O)[O-] ZINC000905191771 626669325 /nfs/dbraw/zinc/66/93/25/626669325.db2.gz QOPWUJPRIRCQCU-NSHDSACASA-N 1 0 268.313 1.576 20 5 CDBDRO C[C@@H]1C[C@@H](NCC[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000905162430 626673390 /nfs/dbraw/zinc/67/33/90/626673390.db2.gz ZLWUAUDBVCJMFP-TZMCWYRMSA-N 1 0 263.341 1.516 20 5 CDBDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CC[N+](=O)[O-])CC1 ZINC000905231132 626685652 /nfs/dbraw/zinc/68/56/52/626685652.db2.gz PKEBJOZFEBZHMX-NSHDSACASA-N 1 0 287.360 1.642 20 5 CDBDRO C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]CC[N+](=O)[O-] ZINC000905204808 626690769 /nfs/dbraw/zinc/69/07/69/626690769.db2.gz WSBWIDHRVMRATC-SECBINFHSA-N 1 0 261.322 1.156 20 5 CDBDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CC[N+](=O)[O-])C1 ZINC000905409595 626801521 /nfs/dbraw/zinc/80/15/21/626801521.db2.gz PZMVUPTYWUJLBP-AOOOYVTPSA-N 1 0 273.333 1.156 20 5 CDBDRO C[NH2+]C1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CCC1 ZINC000912112165 629786010 /nfs/dbraw/zinc/78/60/10/629786010.db2.gz BBTGDVULPRRKFJ-UHFFFAOYSA-N 1 0 292.339 1.265 20 5 CDBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000912805062 630217831 /nfs/dbraw/zinc/21/78/31/630217831.db2.gz IGQJKQWXXRPGAH-QNWHQSFQSA-N 1 0 283.372 1.230 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000913303629 630441146 /nfs/dbraw/zinc/44/11/46/630441146.db2.gz YYJOHZFAAYKBQN-NSHDSACASA-N 1 0 296.327 1.209 20 5 CDBDRO C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000914239343 631280959 /nfs/dbraw/zinc/28/09/59/631280959.db2.gz BCTHIIRKXGLWSD-GXFFZTMASA-N 1 0 292.339 1.659 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC001170294829 1162327748 /nfs/dbraw/zinc/32/77/48/1162327748.db2.gz CYTTYWJRULCXAJ-YPMHNXCESA-N 1 0 293.367 1.828 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2[C@@H]3COC[C@@H]32)c([N+](=O)[O-])c1 ZINC001170305772 1162330195 /nfs/dbraw/zinc/33/01/95/1162330195.db2.gz PPISBRBZQMIRHN-JWFUOXDNSA-N 1 0 292.335 1.769 20 5 CDBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC001170335710 1162339486 /nfs/dbraw/zinc/33/94/86/1162339486.db2.gz QMDZUWJQSYVCOT-NHYWBVRUSA-N 1 0 294.351 1.991 20 5 CDBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170330337 1162338104 /nfs/dbraw/zinc/33/81/04/1162338104.db2.gz ZKNSPPVXKZEQEO-ZIBATOQPSA-N 1 0 294.351 1.847 20 5 CDBDRO C[NH2+]CCN(c1cc(OC)c([N+](=O)[O-])cn1)C(C)(C)C ZINC001157830415 1162457344 /nfs/dbraw/zinc/45/73/44/1162457344.db2.gz VGQYARJFIGMYLR-UHFFFAOYSA-N 1 0 282.344 1.823 20 5 CDBDRO [NH3+]CCc1cnn(-c2ccc3ccc([N+](=O)[O-])cc3n2)c1 ZINC001158098928 1162715049 /nfs/dbraw/zinc/71/50/49/1162715049.db2.gz OWKWPROJPMQQLX-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO COc1cccc(N[C@@H](C)[C@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001170567606 1162939629 /nfs/dbraw/zinc/93/96/29/1162939629.db2.gz KUEMSUSLUMROQX-JOYOIKCWSA-N 1 0 281.312 1.392 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CC[N@@H+]2CC[C@@H]2C1 ZINC001158424461 1162983483 /nfs/dbraw/zinc/98/34/83/1162983483.db2.gz VPAREGHCKIRYFO-MRVPVSSYSA-N 1 0 268.704 1.538 20 5 CDBDRO CCC[C@@H](CCO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000872217902 1165397415 /nfs/dbraw/zinc/39/74/15/1165397415.db2.gz GZRROYGLBQPWNL-JSGCOSHPSA-N 1 0 282.340 1.769 20 5 CDBDRO CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000058234004 1167220645 /nfs/dbraw/zinc/22/06/45/1167220645.db2.gz PSWGSQNPZMYDLP-LBPRGKRZSA-N 1 0 293.323 1.184 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)nc2[nH]ccc21 ZINC001155585961 1167243245 /nfs/dbraw/zinc/24/32/45/1167243245.db2.gz FSLJTYKJKFWIPJ-MIMYLULJSA-N 1 0 287.323 1.881 20 5 CDBDRO CSCCCNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001155981640 1167278917 /nfs/dbraw/zinc/27/89/17/1167278917.db2.gz OHBIHPGJWAOMAU-UHFFFAOYSA-N 1 0 283.357 1.237 20 5 CDBDRO C[C@@]1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C[NH2+]CCO1 ZINC001576516261 1171444784 /nfs/dbraw/zinc/44/47/84/1171444784.db2.gz LQAZVBCFWXFZFK-ZDUSSCGKSA-N 1 0 294.311 1.095 20 5 CDBDRO CN(CC[NH3+])C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001578471077 1171927480 /nfs/dbraw/zinc/92/74/80/1171927480.db2.gz QTXOKIOGRKKYHH-UHFFFAOYSA-N 1 0 290.682 1.000 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001578684278 1171981857 /nfs/dbraw/zinc/98/18/57/1171981857.db2.gz SPUWMLIBSOEBIT-NSHDSACASA-N 1 0 294.355 1.907 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001579242653 1172124980 /nfs/dbraw/zinc/12/49/80/1172124980.db2.gz VPYNXXFGJGRZEK-DTORHVGOSA-N 1 0 294.311 1.462 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]2OCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC001579666895 1172237383 /nfs/dbraw/zinc/23/73/83/1172237383.db2.gz CJQWRWHYWWHALI-XWIASGKRSA-N 1 0 293.323 1.197 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@H]1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001580371921 1172416902 /nfs/dbraw/zinc/41/69/02/1172416902.db2.gz BSNIIJCWPWDBAT-MGPQQGTHSA-N 1 0 279.340 1.488 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[NH2+][C@H]3C[C@H]32)c(Cl)c1 ZINC001580876045 1172558976 /nfs/dbraw/zinc/55/89/76/1172558976.db2.gz YJPNHIZBGPYGEW-DTWKUNHWSA-N 1 0 254.677 1.194 20 5 CDBDRO CCN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000214664056 1175828002 /nfs/dbraw/zinc/82/80/02/1175828002.db2.gz VGJUBAHEABYYSY-BMWLXYDHSA-N 1 0 289.335 1.818 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000401230690 1186407684 /nfs/dbraw/zinc/40/76/84/1186407684.db2.gz MZIPRHIRJHKTAX-HRDYMLBCSA-N 1 0 283.353 1.867 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H]([NH+](C)C)C1 ZINC000078617582 721886045 /nfs/dbraw/zinc/88/60/45/721886045.db2.gz NVVHZKJSXDDLJQ-NSHDSACASA-N 1 0 264.329 1.829 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001164634356 719222069 /nfs/dbraw/zinc/22/20/69/719222069.db2.gz GOUAKPHYEVVEQX-NXEZZACHSA-N 1 0 289.339 2.000 20 5 CDBDRO CC1(O)CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819132961 728759316 /nfs/dbraw/zinc/75/93/16/728759316.db2.gz JLGQOQSPPXUYPS-HNFVBEJKSA-N 1 0 294.351 1.911 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCCOC2)cc1 ZINC000211113067 728818406 /nfs/dbraw/zinc/81/84/06/728818406.db2.gz VHPHRYVZZHXVBE-WCQYABFASA-N 1 0 266.297 1.397 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000092673390 728837582 /nfs/dbraw/zinc/83/75/82/728837582.db2.gz KNOFVMSEVZPLOS-NSHDSACASA-N 1 0 292.339 1.343 20 5 CDBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)OCCC[NH+]1CCCC1 ZINC000787970577 728865738 /nfs/dbraw/zinc/86/57/38/728865738.db2.gz VGAGQDREEFFNOH-UHFFFAOYSA-N 1 0 293.323 1.820 20 5 CDBDRO Cc1ccc(NC(=O)C[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000089741238 728888765 /nfs/dbraw/zinc/88/87/65/728888765.db2.gz GWERBVOEIGRUKG-JTQLQIEISA-N 1 0 263.297 1.841 20 5 CDBDRO CC[C@H](CO)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000931775083 728894123 /nfs/dbraw/zinc/89/41/23/728894123.db2.gz QXRXXEDIWGKUHL-SECBINFHSA-N 1 0 272.276 1.603 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+](CCO)C2CCC2)cc1 ZINC000784392510 728930070 /nfs/dbraw/zinc/93/00/70/728930070.db2.gz HULOBQKWAZKKAS-CQSZACIVSA-N 1 0 280.324 1.475 20 5 CDBDRO C[NH+](C)CCOCCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000779429577 728948941 /nfs/dbraw/zinc/94/89/41/728948941.db2.gz QPLJTIHSKGXGDQ-UHFFFAOYSA-N 1 0 293.327 1.233 20 5 CDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000829439446 728945968 /nfs/dbraw/zinc/94/59/68/728945968.db2.gz CAEZQACVLJOGPN-SNVBAGLBSA-N 1 0 295.314 1.806 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@](C)([NH3+])C2)c1C ZINC000886923267 728426312 /nfs/dbraw/zinc/42/63/12/728426312.db2.gz TUFAXLCEZLOOAW-CQSZACIVSA-N 1 0 277.324 1.775 20 5 CDBDRO O=[N+]([O-])c1cnn(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000176200301 728436832 /nfs/dbraw/zinc/43/68/32/728436832.db2.gz VGGGEDNFABNLDD-PHIMTYICSA-N 1 0 250.302 1.871 20 5 CDBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](C3OCCO3)C2)c1 ZINC000719064340 728514457 /nfs/dbraw/zinc/51/44/57/728514457.db2.gz DJZDKXLWXVMHFF-LBPRGKRZSA-N 1 0 278.308 1.790 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000054263805 728580163 /nfs/dbraw/zinc/58/01/63/728580163.db2.gz SLZORPRXDLBWKO-UHFFFAOYSA-N 1 0 269.276 1.463 20 5 CDBDRO C[C@H]1CCN(Cc2cccnc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000886840123 728971705 /nfs/dbraw/zinc/97/17/05/728971705.db2.gz UDAGYMLULVZYCF-CMPLNLGQSA-N 1 0 264.329 1.407 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886839381 729098883 /nfs/dbraw/zinc/09/88/83/729098883.db2.gz CTDMOUQRVDGLGU-CKYFFXLPSA-N 1 0 264.329 1.466 20 5 CDBDRO O=[N+]([O-])c1cnn(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000131305595 729112173 /nfs/dbraw/zinc/11/21/73/729112173.db2.gz OFKIRIBBBXAJOQ-LBPRGKRZSA-N 1 0 279.344 1.167 20 5 CDBDRO C[C@H](O)[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852559385 729112340 /nfs/dbraw/zinc/11/23/40/729112340.db2.gz PVJARJOYZYCOGE-ZLKJLUDKSA-N 1 0 280.324 1.473 20 5 CDBDRO O=[N+]([O-])c1c(F)cccc1NCCC[NH+]1CCC(O)CC1 ZINC000853201341 729140753 /nfs/dbraw/zinc/14/07/53/729140753.db2.gz TXDCTVOWYRXGCQ-UHFFFAOYSA-N 1 0 297.330 1.993 20 5 CDBDRO CC(C)([NH3+])Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000084144107 729145097 /nfs/dbraw/zinc/14/50/97/729145097.db2.gz UXAUTATTWYXIPX-UHFFFAOYSA-N 1 0 262.269 1.925 20 5 CDBDRO C[C@H]([NH2+][C@H]1CCC(=O)NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000089754208 729175396 /nfs/dbraw/zinc/17/53/96/729175396.db2.gz JFYGTWLRZAEOAG-KWQFWETISA-N 1 0 277.280 1.051 20 5 CDBDRO CN(CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000839960396 729177873 /nfs/dbraw/zinc/17/78/73/729177873.db2.gz PKKONWUAGVTAJV-CQSZACIVSA-N 1 0 291.307 1.584 20 5 CDBDRO CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[N@@H+]1C ZINC000817290473 729254039 /nfs/dbraw/zinc/25/40/39/729254039.db2.gz DAXOIYGRYNBXPO-LSDHHAIUSA-N 1 0 293.367 1.654 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701911628 729272654 /nfs/dbraw/zinc/27/26/54/729272654.db2.gz TYZJCCWWZRYLAG-ZETCQYMHSA-N 1 0 271.704 1.586 20 5 CDBDRO C[N@H+]1CC=C(CNc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865660034 729320124 /nfs/dbraw/zinc/32/01/24/729320124.db2.gz UWNDIRRQNYGVFD-UHFFFAOYSA-N 1 0 295.314 1.900 20 5 CDBDRO C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccsc1 ZINC000839512673 729377346 /nfs/dbraw/zinc/37/73/46/729377346.db2.gz IBLGKOHQBPLUNE-GMTAPVOTSA-N 1 0 283.353 1.132 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CCO ZINC000133013770 729377484 /nfs/dbraw/zinc/37/74/84/729377484.db2.gz NVZUWDOWGTZXAB-SECBINFHSA-N 1 0 254.286 1.464 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000261605706 729380141 /nfs/dbraw/zinc/38/01/41/729380141.db2.gz CVHQRZWQAZTYHT-LBPRGKRZSA-N 1 0 287.323 1.627 20 5 CDBDRO C[C@@]1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000819146205 729393266 /nfs/dbraw/zinc/39/32/66/729393266.db2.gz SMIXAXFNFDJQCL-KGLIPLIRSA-N 1 0 280.324 1.787 20 5 CDBDRO C[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000923390462 729400950 /nfs/dbraw/zinc/40/09/50/729400950.db2.gz SLYYZABECSKXCL-BYCMXARLSA-N 1 0 293.367 1.687 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CCC(C)(C)[N+](=O)[O-])CC[C@H]21 ZINC000827009195 729484111 /nfs/dbraw/zinc/48/41/11/729484111.db2.gz NDWQTCRYLUVBNQ-CHWSQXEVSA-N 1 0 297.399 1.765 20 5 CDBDRO [NH3+]CC12CCC(CC1)N2C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000877191920 729508231 /nfs/dbraw/zinc/50/82/31/729508231.db2.gz DDGHKKIBZTUQKB-UHFFFAOYSA-N 1 0 289.335 1.620 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)[NH3+] ZINC000876835249 729526943 /nfs/dbraw/zinc/52/69/43/729526943.db2.gz YBEXLEYMPYPAAJ-MRVPVSSYSA-N 1 0 251.286 1.289 20 5 CDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000129587847 729536842 /nfs/dbraw/zinc/53/68/42/729536842.db2.gz IDNKVKHMPGLBQW-YNEHKIRRSA-N 1 0 280.324 1.377 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000168722952 729541509 /nfs/dbraw/zinc/54/15/09/729541509.db2.gz UHTHZQAAZWRDLI-IUCAKERBSA-N 1 0 281.287 1.543 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]CC2CC3(C2)OCCO3)cs1 ZINC000922798233 729594019 /nfs/dbraw/zinc/59/40/19/729594019.db2.gz JQZGEVUVFYKKBE-UHFFFAOYSA-N 1 0 284.337 1.899 20 5 CDBDRO C[NH+]1CCC(ONC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000854358027 729620623 /nfs/dbraw/zinc/62/06/23/729620623.db2.gz POVPUMAIHPXVDP-UHFFFAOYSA-N 1 0 297.286 1.490 20 5 CDBDRO COC[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886016766 729639451 /nfs/dbraw/zinc/63/94/51/729639451.db2.gz LFZXRSWOZVDBSO-JTQLQIEISA-N 1 0 251.286 1.458 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000236864795 729665146 /nfs/dbraw/zinc/66/51/46/729665146.db2.gz ADKALKIJXDOHAM-JTQLQIEISA-N 1 0 295.339 1.851 20 5 CDBDRO C[C@]([NH3+])(C(=O)NC[C@@H]1CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000870884767 729724368 /nfs/dbraw/zinc/72/43/68/729724368.db2.gz INMDMBHMIIFRFR-XHDPSFHLSA-N 1 0 291.351 1.931 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000131836725 729730489 /nfs/dbraw/zinc/73/04/89/729730489.db2.gz DSVQIKWTGWQWOP-QWRGUYRKSA-N 1 0 277.324 1.333 20 5 CDBDRO C[C@H]([NH3+])CN(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000863568862 729793000 /nfs/dbraw/zinc/79/30/00/729793000.db2.gz OAUIZQGLAPVJFQ-VIFPVBQESA-N 1 0 291.311 1.424 20 5 CDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887937841 729800695 /nfs/dbraw/zinc/80/06/95/729800695.db2.gz NFGCPPONABSDKQ-ABAIWWIYSA-N 1 0 289.335 1.619 20 5 CDBDRO C[N@H+](CCCOc1ccc(F)cc1)CC[N+](=O)[O-] ZINC000929252407 729834643 /nfs/dbraw/zinc/83/46/43/729834643.db2.gz OTIHRWFRNGPTPO-UHFFFAOYSA-N 1 0 256.277 1.803 20 5 CDBDRO C[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1CCO ZINC000886279173 729835380 /nfs/dbraw/zinc/83/53/80/729835380.db2.gz RCKULVWDRVJILJ-YPMHNXCESA-N 1 0 279.340 1.973 20 5 CDBDRO COc1cc(NC[C@H]2CC[N@@H+]2C)c([N+](=O)[O-])cc1OC ZINC000712559467 729838411 /nfs/dbraw/zinc/83/84/11/729838411.db2.gz VCSPFNSNPAPHJT-SECBINFHSA-N 1 0 281.312 1.728 20 5 CDBDRO CCc1ccc(C(=O)N(C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000877101449 729859145 /nfs/dbraw/zinc/85/91/45/729859145.db2.gz KZRVZJSYWLIAAM-SECBINFHSA-N 1 0 265.313 1.576 20 5 CDBDRO C[C@@H](COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000847963620 729888655 /nfs/dbraw/zinc/88/86/55/729888655.db2.gz SABCZECKTYAVDD-HBNTYKKESA-N 1 0 256.302 1.069 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCC23OCCO3)c1 ZINC000715598005 729898748 /nfs/dbraw/zinc/89/87/48/729898748.db2.gz QEZYXJKTBMFHBO-ZDUSSCGKSA-N 1 0 278.308 1.980 20 5 CDBDRO Cc1cc(F)cc(C(=O)NC[C@H]2C[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000877243595 729944360 /nfs/dbraw/zinc/94/43/60/729944360.db2.gz IPLRGRFYXDZKTO-CZMCAQCFSA-N 1 0 281.287 1.509 20 5 CDBDRO COCC[NH2+]CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817965506 729949956 /nfs/dbraw/zinc/94/99/56/729949956.db2.gz WFEGFAXTMIWIAS-JTQLQIEISA-N 1 0 282.344 1.064 20 5 CDBDRO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866381039 729951130 /nfs/dbraw/zinc/95/11/30/729951130.db2.gz CSQBHANSFOZMLL-MRCXROJRSA-N 1 0 298.314 1.668 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1-c1nc([C@H]2CCC[NH2+]2)no1 ZINC000842636586 729956639 /nfs/dbraw/zinc/95/66/39/729956639.db2.gz IXNLGRRRPDQDJA-SNVBAGLBSA-N 1 0 275.268 1.652 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC[C@@H]2CCO)c1 ZINC000062351219 729979551 /nfs/dbraw/zinc/97/95/51/729979551.db2.gz WSJQFUPXSPNJIQ-UKRRQHHQSA-N 1 0 294.351 1.865 20 5 CDBDRO CN1CCC[NH+]=C1NCCc1ccccc1[N+](=O)[O-] ZINC000849009852 729980415 /nfs/dbraw/zinc/98/04/15/729980415.db2.gz AYGMSDCGAGRQIU-UHFFFAOYSA-N 1 0 262.313 1.418 20 5 CDBDRO C[C@H](CC(N)=O)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866287229 730039982 /nfs/dbraw/zinc/03/99/82/730039982.db2.gz KSURRNSWLOPDCM-DTWKUNHWSA-N 1 0 283.303 1.518 20 5 CDBDRO C[N@@H+]1CC[C@@](O)(CNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000702594034 730045441 /nfs/dbraw/zinc/04/54/41/730045441.db2.gz SCDACHMTLQMBTJ-CYBMUJFWSA-N 1 0 299.758 1.404 20 5 CDBDRO C[C@@]1(O)CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776598035 730058717 /nfs/dbraw/zinc/05/87/17/730058717.db2.gz OMYVVPIDNGHMJR-ZIAGYGMSSA-N 1 0 280.324 1.475 20 5 CDBDRO C[C@H]([NH3+])CN(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000863566934 730061685 /nfs/dbraw/zinc/06/16/85/730061685.db2.gz AOXOIEIYXZHCIE-VIFPVBQESA-N 1 0 291.311 1.424 20 5 CDBDRO CC(C)[C@@H](c1nc(-c2c([N+](=O)[O-])ncn2C)no1)[C@H](C)[NH3+] ZINC000823089024 730317396 /nfs/dbraw/zinc/31/73/96/730317396.db2.gz QJJFSARAJCDMKP-JGVFFNPUSA-N 1 0 294.315 1.465 20 5 CDBDRO C[NH+](C)CCn1cc(COc2ccccc2[N+](=O)[O-])nn1 ZINC000849137627 730321151 /nfs/dbraw/zinc/32/11/51/730321151.db2.gz RPFLAPKEWVTQNM-UHFFFAOYSA-N 1 0 291.311 1.327 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN(C)C[C@H](C)[NH3+] ZINC000310961468 730340891 /nfs/dbraw/zinc/34/08/91/730340891.db2.gz BSPPMLHKJIYGEH-VIFPVBQESA-N 1 0 253.302 1.382 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823962563 730351234 /nfs/dbraw/zinc/35/12/34/730351234.db2.gz UNGDOTCLADNPDL-SECBINFHSA-N 1 0 293.327 1.250 20 5 CDBDRO NC(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCCC1 ZINC000801525665 730379934 /nfs/dbraw/zinc/37/99/34/730379934.db2.gz XDJMKJJEZWYQCG-UHFFFAOYSA-N 1 0 281.287 1.622 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000876522717 730380140 /nfs/dbraw/zinc/38/01/40/730380140.db2.gz AAHOOPIIFDEILW-LLVKDONJSA-N 1 0 277.324 1.519 20 5 CDBDRO O=[N+]([O-])C1C[C@H]1c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871800566 730389216 /nfs/dbraw/zinc/38/92/16/730389216.db2.gz OGZOBEKHDSKFSY-JNSGDMPLSA-N 1 0 264.285 1.200 20 5 CDBDRO CN(C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000867943685 730418318 /nfs/dbraw/zinc/41/83/18/730418318.db2.gz CVFIWSGZUKXTBX-TZMCWYRMSA-N 1 0 293.323 1.016 20 5 CDBDRO COCCN(C)C(=[NH2+])NCCc1cccc([N+](=O)[O-])c1 ZINC000871605933 1165319232 /nfs/dbraw/zinc/31/92/32/1165319232.db2.gz QQVCOKOFGQGLMW-UHFFFAOYSA-N 1 0 280.328 1.240 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c(F)c1 ZINC001155618517 1167260794 /nfs/dbraw/zinc/26/07/94/1167260794.db2.gz MIGMCCHXAZPHOG-NOZJJQNGSA-N 1 0 296.302 1.452 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCN(C)C)c1F ZINC001173175600 912281244 /nfs/dbraw/zinc/28/12/44/912281244.db2.gz PUYAYUSKCGDYBV-SNVBAGLBSA-N 1 0 299.346 1.825 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC001173223030 912309477 /nfs/dbraw/zinc/30/94/77/912309477.db2.gz WPOFYKWXNUSPDR-COPLHBTASA-N 1 0 264.325 1.838 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCn1cncn1 ZINC001173224708 912317280 /nfs/dbraw/zinc/31/72/80/912317280.db2.gz OJDVMNNSHKDRDL-LBPRGKRZSA-N 1 0 289.339 1.797 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1-n1ccnc1[C@@H]1CCC[NH2+]C1 ZINC001167058130 894085770 /nfs/dbraw/zinc/08/57/70/894085770.db2.gz YIWJIBQNPQXSSA-SECBINFHSA-N 1 0 291.286 1.782 20 5 CDBDRO C[C@]1([NH3+])CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000405815787 897692436 /nfs/dbraw/zinc/69/24/36/897692436.db2.gz IOGJGZMBMZSQOB-LBPRGKRZSA-N 1 0 283.715 1.812 20 5 CDBDRO COC(=O)CC(C)(C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000177925545 898322154 /nfs/dbraw/zinc/32/21/54/898322154.db2.gz XHYPAULNIXRYGK-UHFFFAOYSA-N 1 0 296.323 1.905 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCc1noc(C(C)(C)C)n1 ZINC001223185890 900979066 /nfs/dbraw/zinc/97/90/66/900979066.db2.gz SUJUTRVOJAKXAS-JTQLQIEISA-N 1 0 256.370 1.978 20 5 CDBDRO C[NH+](C)CCCO[C@H](C[N+](=O)[O-])c1cccnc1 ZINC001206296936 914532833 /nfs/dbraw/zinc/53/28/33/914532833.db2.gz RCHVRRQWFYGTGV-GFCCVEGCSA-N 1 0 253.302 1.368 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(Cl)cc1 ZINC001225253965 902543794 /nfs/dbraw/zinc/54/37/94/902543794.db2.gz TXFVNCOYGOZJKG-LLVKDONJSA-N 1 0 272.752 1.703 20 5 CDBDRO COc1cc(O[C@H]2CC[N@@H+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC001226582058 905355995 /nfs/dbraw/zinc/35/59/95/905355995.db2.gz VJFXCCCEQYIZAM-JTQLQIEISA-N 1 0 281.312 1.860 20 5 CDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000715126123 909810303 /nfs/dbraw/zinc/81/03/03/909810303.db2.gz VWFCASDEUQFZAM-KNVOCYPGSA-N 1 0 255.299 1.123 20 5 CDBDRO C[C@@H](OCC[N+](C)(C)C)C1CN(C(=O)OC(C)(C)C)C1 ZINC001224770546 910646382 /nfs/dbraw/zinc/64/63/82/910646382.db2.gz BIWQXINSWBWVTC-GFCCVEGCSA-N 1 0 287.424 1.965 20 5 CDBDRO C[C@H]1COC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000922641957 921722309 /nfs/dbraw/zinc/72/23/09/921722309.db2.gz SJYREFVRRVCWBK-ZANVPECISA-N 1 0 294.307 1.586 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)C2CCOCC2)cc1F ZINC000801539185 915310239 /nfs/dbraw/zinc/31/02/39/915310239.db2.gz CPNTVRGFNPYLDH-CYBMUJFWSA-N 1 0 298.314 1.611 20 5 CDBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000826861111 936443711 /nfs/dbraw/zinc/44/37/11/936443711.db2.gz RQFGEDWSNZGPNN-ZDUSSCGKSA-N 1 0 299.415 1.916 20 5 CDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1nccc(N)c1[N+](=O)[O-] ZINC001168601644 919394527 /nfs/dbraw/zinc/39/45/27/919394527.db2.gz SBCYIBQEOUZWPM-QWRGUYRKSA-N 1 0 279.344 1.857 20 5 CDBDRO C[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834909154 936709663 /nfs/dbraw/zinc/70/96/63/936709663.db2.gz OTAUSVSQXDJBJS-YMTOWFKASA-N 1 0 292.339 1.496 20 5 CDBDRO COc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)cnc1[N+](=O)[O-] ZINC001162400968 922507795 /nfs/dbraw/zinc/50/77/95/922507795.db2.gz JQSPPHPEMZGSBD-DTWKUNHWSA-N 1 0 266.301 1.680 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001155468186 926848068 /nfs/dbraw/zinc/84/80/68/926848068.db2.gz BYXNBRKEAZCFRH-VIFPVBQESA-N 1 0 296.302 1.309 20 5 CDBDRO [NH3+]Cc1ccc2ncn(-c3cnc([N+](=O)[O-])cn3)c2c1 ZINC001168847392 927507665 /nfs/dbraw/zinc/50/76/65/927507665.db2.gz FCGNHICZQXPLOR-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO [NH3+]CCN(c1ccccn1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168977679 927563567 /nfs/dbraw/zinc/56/35/67/927563567.db2.gz LFCLKYDZFOGFQT-NEPJUHHUSA-N 1 0 264.329 1.292 20 5 CDBDRO O=C(CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)NC1CCCCC1 ZINC001168978371 927566534 /nfs/dbraw/zinc/56/65/34/927566534.db2.gz RJOSZXZVSOFLDE-OCCSQVGLSA-N 1 0 297.399 1.860 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc3c2OCO3)C1 ZINC001168979485 927567981 /nfs/dbraw/zinc/56/79/81/927567981.db2.gz YNBQGHZXGIKPIG-CMPLNLGQSA-N 1 0 278.308 1.950 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccnc(F)c2)C1 ZINC001168984344 927572950 /nfs/dbraw/zinc/57/29/50/927572950.db2.gz MEJNZIVMRMPSDR-GHMZBOCLSA-N 1 0 253.277 1.756 20 5 CDBDRO O=C1NCc2ccc(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)cc21 ZINC001168984662 927573135 /nfs/dbraw/zinc/57/31/35/927573135.db2.gz PQASMKBAIGBPAM-AAEUAGOBSA-N 1 0 289.335 1.465 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cnc3ccccn23)C1 ZINC001168962843 927584652 /nfs/dbraw/zinc/58/46/52/927584652.db2.gz NDQMTPULRLXODT-NWDGAFQWSA-N 1 0 274.324 1.869 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cn(CCF)cn2)C1 ZINC001168998059 927604044 /nfs/dbraw/zinc/60/40/44/927604044.db2.gz HUHPHOHHOLBYIC-GHMZBOCLSA-N 1 0 270.308 1.388 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccncc2)C1 ZINC001169001919 927605293 /nfs/dbraw/zinc/60/52/93/927605293.db2.gz IOPNOGHYOAQXSB-RAIGVLPGSA-N 1 0 265.313 1.150 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C[C@H]2CC[C@H](O)CC2)C1 ZINC001169001494 927605990 /nfs/dbraw/zinc/60/59/90/927605990.db2.gz GMAGURMZUMEAMS-RVMXOQNASA-N 1 0 256.346 1.573 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[C@H]2O)C1 ZINC001169001667 927606272 /nfs/dbraw/zinc/60/62/72/927606272.db2.gz HHDQTXOECJBKOV-FDYHWXHSSA-N 1 0 256.346 1.573 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3OCCC[C@H]3C2)C1 ZINC001169007138 927610738 /nfs/dbraw/zinc/61/07/38/927610738.db2.gz LKHSZSHRFHZMNS-RFGFWPKPSA-N 1 0 268.357 1.933 20 5 CDBDRO CC(C)[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)(C)CN ZINC001169006436 927611639 /nfs/dbraw/zinc/61/16/39/927611639.db2.gz IFSSVUNJVVYSET-NEPJUHHUSA-N 1 0 257.378 1.880 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(CC(F)F)CC2)C1 ZINC001169035518 927643391 /nfs/dbraw/zinc/64/33/91/927643391.db2.gz BRKYVBIUCIUZRB-WDEREUQCSA-N 1 0 277.315 1.315 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@]3(C2)CC(F)(F)CO3)C1 ZINC001169039004 927651095 /nfs/dbraw/zinc/65/10/95/927651095.db2.gz MICJXDADPLHUSI-UTUOFQBUSA-N 1 0 290.310 1.932 20 5 CDBDRO CCOC(=O)C[N@H+](CC)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169041036 927653397 /nfs/dbraw/zinc/65/33/97/927653397.db2.gz AOCWTCMIXCIBMQ-QWRGUYRKSA-N 1 0 258.318 1.317 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CC3(C2)CCOCC3)C1 ZINC001169021898 927664223 /nfs/dbraw/zinc/66/42/23/927664223.db2.gz AYKBXDXOGGNMOT-RYUDHWBXSA-N 1 0 254.330 1.544 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(C[C@H]3CCCO3)CC2)C1 ZINC001169026594 927666624 /nfs/dbraw/zinc/66/66/24/927666624.db2.gz NBPWODJYOLMJBK-RBSFLKMASA-N 1 0 297.399 1.228 20 5 CDBDRO CN1CC2(CC1=O)CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169049030 927666846 /nfs/dbraw/zinc/66/68/46/927666846.db2.gz VSTVPHFPRRVGRN-OLZOCXBDSA-N 1 0 295.383 1.376 20 5 CDBDRO CO[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H](C)C1 ZINC001169050641 927669352 /nfs/dbraw/zinc/66/93/52/927669352.db2.gz CCWINVLXRIEISI-FDYHWXHSSA-N 1 0 256.346 1.931 20 5 CDBDRO Cc1nc2c(o1)CCN([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169055884 927672415 /nfs/dbraw/zinc/67/24/15/927672415.db2.gz QYRUFNPYUUNCCS-MNOVXSKESA-N 1 0 265.313 1.787 20 5 CDBDRO C[N@H+](Cc1cncnc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169054251 927672487 /nfs/dbraw/zinc/67/24/87/927672487.db2.gz LIRDDKAGZHTAAV-CMPLNLGQSA-N 1 0 250.302 1.354 20 5 CDBDRO C[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1C ZINC000776598409 927800094 /nfs/dbraw/zinc/80/00/94/927800094.db2.gz MXVWSTMKXFCWFH-XUJVJEKNSA-N 1 0 293.367 1.653 20 5 CDBDRO COc1nc(C)c(-n2ccc([C@H](C)[NH3+])n2)cc1[N+](=O)[O-] ZINC001169234625 927848382 /nfs/dbraw/zinc/84/83/82/927848382.db2.gz ZOEZVKWKLWOTTQ-ZETCQYMHSA-N 1 0 277.284 1.512 20 5 CDBDRO Cc1cc(=NOCC[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001156293437 927962786 /nfs/dbraw/zinc/96/27/86/927962786.db2.gz JTNCRVOXPARZHH-UHFFFAOYSA-N 1 0 289.295 1.084 20 5 CDBDRO [NH3+]Cc1ccc2c(n1)N(c1cnc([N+](=O)[O-])cn1)CCC2 ZINC001169590926 928204317 /nfs/dbraw/zinc/20/43/17/928204317.db2.gz PYRKFEYZCHENSK-UHFFFAOYSA-N 1 0 286.295 1.323 20 5 CDBDRO C[NH+](C)CCC(C)(C)Nc1ncc([N+](=O)[O-])cn1 ZINC001169711619 928365613 /nfs/dbraw/zinc/36/56/13/928365613.db2.gz NRWHRIIAOUNCID-UHFFFAOYSA-N 1 0 253.306 1.527 20 5 CDBDRO Cc1c(N[C@@H]2C[NH2+]C[C@H]2CO)cc(F)cc1[N+](=O)[O-] ZINC001170774209 929924929 /nfs/dbraw/zinc/92/49/29/929924929.db2.gz AKJDWVMGGGILPR-GZMMTYOYSA-N 1 0 269.276 1.035 20 5 CDBDRO COc1cc(C[NH2+][C@@H](CO)C2CC2)c([N+](=O)[O-])cc1OC ZINC000883002651 930121885 /nfs/dbraw/zinc/12/18/85/930121885.db2.gz LIVFQIYHBCWLOY-NSHDSACASA-N 1 0 296.323 1.473 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCCN1c1ncc(F)cc1[N+](=O)[O-] ZINC000401198764 937419171 /nfs/dbraw/zinc/41/91/71/937419171.db2.gz YMSDYIBMUPWRBI-CBAPKCEASA-N 1 0 254.265 1.445 20 5 CDBDRO CCCC=Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001159667595 930557322 /nfs/dbraw/zinc/55/73/22/930557322.db2.gz CSHSKCRKPCMDSF-ONEGZZNKSA-N 1 0 278.316 1.130 20 5 CDBDRO Cc1c(Cc2noc([C@H](C)C[NH3+])n2)cccc1[N+](=O)[O-] ZINC000822863734 931215771 /nfs/dbraw/zinc/21/57/71/931215771.db2.gz SVTRUNCBIGOEQZ-MRVPVSSYSA-N 1 0 276.296 1.939 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](c2nc(-c3c([N+](=O)[O-])ncn3C)no2)C1 ZINC000823089546 931251814 /nfs/dbraw/zinc/25/18/14/931251814.db2.gz VRBBVUJTAMCCTO-SFYZADRCSA-N 1 0 292.299 1.439 20 5 CDBDRO CCC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001153989814 937488644 /nfs/dbraw/zinc/48/86/44/937488644.db2.gz CPOQDFYQTGDCJZ-UHFFFAOYSA-N 1 0 265.313 1.601 20 5 CDBDRO CC(C)(C)[NH2+]CCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015908 937516350 /nfs/dbraw/zinc/51/63/50/937516350.db2.gz KYKJTTMQGXORCQ-UHFFFAOYSA-N 1 0 279.340 1.989 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)CN2CC[NH2+]CC2)n1 ZINC001154752178 937582292 /nfs/dbraw/zinc/58/22/92/937582292.db2.gz OZXDNGGLUGJNES-LBPRGKRZSA-N 1 0 293.371 1.312 20 5 CDBDRO O=c1c2ccccc2n(C[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001118199456 937601463 /nfs/dbraw/zinc/60/14/63/937601463.db2.gz LZOWUEHFTMMIIB-LLVKDONJSA-N 1 0 287.319 1.909 20 5 CDBDRO O=[N+]([O-])c1cn(C[C@H]2CCC[NH2+]C2)nc1C1CC1 ZINC001118199782 937602051 /nfs/dbraw/zinc/60/20/51/937602051.db2.gz SQGMQNHWKPENAG-VIFPVBQESA-N 1 0 250.302 1.668 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC001118204890 937602913 /nfs/dbraw/zinc/60/29/13/937602913.db2.gz QJCASDNPVIQRGM-VHSXEESVSA-N 1 0 292.339 1.446 20 5 CDBDRO CN(C)/C=C/c1cc(-n2cnc(C[NH3+])c2)ncc1[N+](=O)[O-] ZINC001154909351 937603489 /nfs/dbraw/zinc/60/34/89/937603489.db2.gz PYEPTPPYPZUHFW-ONEGZZNKSA-N 1 0 288.311 1.167 20 5 CDBDRO O=[N+]([O-])c1cc(NC[C@@H]2CCCC[NH2+]2)cnc1F ZINC001171333764 932736996 /nfs/dbraw/zinc/73/69/96/932736996.db2.gz FBEWOKVDOYBNQN-QMMMGPOBSA-N 1 0 254.265 1.683 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1C[NH2+][C@H](C)C1 ZINC001155095291 937634230 /nfs/dbraw/zinc/63/42/30/937634230.db2.gz MGRCCDQFXBJVOQ-RKDXNWHRSA-N 1 0 294.311 1.186 20 5 CDBDRO Nc1cc(NCc2ccc3c(c2)CC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001155267667 937655776 /nfs/dbraw/zinc/65/57/76/937655776.db2.gz CCOLXNGXUJSEBR-UHFFFAOYSA-N 1 0 299.334 1.830 20 5 CDBDRO CC(C)[NH2+]Cc1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000090297242 934828452 /nfs/dbraw/zinc/82/84/52/934828452.db2.gz LMVGOTFWNJCGBO-UHFFFAOYSA-N 1 0 289.339 1.927 20 5 CDBDRO COc1cc(CC[NH2+]CC[N+](=O)[O-])cc(OC)c1 ZINC001120566324 937811009 /nfs/dbraw/zinc/81/10/09/937811009.db2.gz KJXJOPQFFACYNP-UHFFFAOYSA-N 1 0 254.286 1.113 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2C[NH+]3CCC2CC3)c(F)c1 ZINC001120977590 937851642 /nfs/dbraw/zinc/85/16/42/937851642.db2.gz LYTFJYSOWAXYIV-LLVKDONJSA-N 1 0 266.276 1.635 20 5 CDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC001122477378 937935235 /nfs/dbraw/zinc/93/52/35/937935235.db2.gz VXLDNVFXPCWZNF-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1ncc([N+](=O)[O-])cc1Cl ZINC001156850396 938425928 /nfs/dbraw/zinc/42/59/28/938425928.db2.gz YTCRQKSOPKKSQP-UHFFFAOYSA-N 1 0 279.687 1.372 20 5 CDBDRO Cc1ccnc(N(C)[C@]2(C)CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001156956925 938438953 /nfs/dbraw/zinc/43/89/53/938438953.db2.gz RYRHNHPMCRKHSB-CYBMUJFWSA-N 1 0 264.329 1.877 20 5 CDBDRO N=C(Nc1cc(Cl)ncc1[N+](=O)[O-])SCC[NH3+] ZINC001157129284 938457826 /nfs/dbraw/zinc/45/78/26/938457826.db2.gz VXILQOBLUPQLHS-UHFFFAOYSA-N 1 0 275.721 1.682 20 5 CDBDRO Cc1ccnc(NCC2(N3CCCC3)COC2)c1[N+](=O)[O-] ZINC001157650036 938526166 /nfs/dbraw/zinc/52/61/66/938526166.db2.gz JQDDZXXNOGMZQM-UHFFFAOYSA-N 1 0 292.339 1.575 20 5 CDBDRO O=C(NCCC[NH2+]Cc1ccc(F)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157760618 938541797 /nfs/dbraw/zinc/54/17/97/938541797.db2.gz FSEMFTORXRPEIR-CHWSQXEVSA-N 1 0 295.314 1.087 20 5 CDBDRO Cc1nc(N2CC[C@](F)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC001157809520 938548917 /nfs/dbraw/zinc/54/89/17/938548917.db2.gz QWUZNIALIAFAGS-NSHDSACASA-N 1 0 254.265 1.175 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(-n2cc(CC[NH3+])cn2)n1 ZINC001158098899 938582610 /nfs/dbraw/zinc/58/26/10/938582610.db2.gz NSCBLLHLJHZZDM-UHFFFAOYSA-N 1 0 282.691 1.034 20 5 CDBDRO CC(C)Oc1nc(-n2ccc([C@H](C)[NH3+])n2)ccc1[N+](=O)[O-] ZINC001158354816 938613744 /nfs/dbraw/zinc/61/37/44/938613744.db2.gz CTKASWVQBOEPBR-VIFPVBQESA-N 1 0 291.311 1.982 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[N@@H+]2CC[C@@H]2C1 ZINC001158425913 938623306 /nfs/dbraw/zinc/62/33/06/938623306.db2.gz UIKLCQFNHWDYQR-SECBINFHSA-N 1 0 268.704 1.538 20 5 CDBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@@H]2C[NH2+]C[C@@H]2CO)c1 ZINC001159681305 938745277 /nfs/dbraw/zinc/74/52/77/938745277.db2.gz CGOGDIVPHHINGC-ZWNOBZJWSA-N 1 0 288.307 1.135 20 5 CDBDRO [NH3+]Cc1cn(-c2ncc([N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC001162302427 938975106 /nfs/dbraw/zinc/97/51/06/938975106.db2.gz RFVAZXRGHWQRMB-UHFFFAOYSA-N 1 0 287.201 1.653 20 5 CDBDRO COc1ccnc(NC[C@H]2C[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC001162555264 939086682 /nfs/dbraw/zinc/08/66/82/939086682.db2.gz OWGDGNAGPSNWDS-RKDXNWHRSA-N 1 0 266.301 1.408 20 5 CDBDRO O=[N+]([O-])c1ccc2ncc(N[C@@H]3C=C[C@H]4C[NH2+]C[C@H]43)nc2c1 ZINC001162789677 939140185 /nfs/dbraw/zinc/14/01/85/939140185.db2.gz JZRMVVMAXXFSKX-MVWJERBFSA-N 1 0 297.318 1.724 20 5 CDBDRO [NH3+][C@H]1COC[C@H]1Nc1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001162921299 939161637 /nfs/dbraw/zinc/16/16/37/939161637.db2.gz UQCRNVDEBVBWKI-VHSXEESVSA-N 1 0 262.269 1.214 20 5 CDBDRO Cc1cnc(N[C@@H]2COCCC23C[NH2+]C3)cc1[N+](=O)[O-] ZINC001163073312 939190608 /nfs/dbraw/zinc/19/06/08/939190608.db2.gz NAXWMOZIKHKVRY-LLVKDONJSA-N 1 0 278.312 1.089 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)nc1 ZINC001163159364 939216258 /nfs/dbraw/zinc/21/62/58/939216258.db2.gz IDURSNNWERVAAW-JLLWLGSASA-N 1 0 278.312 1.026 20 5 CDBDRO Cc1cccc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)c1[N+](=O)[O-] ZINC001163168417 939218601 /nfs/dbraw/zinc/21/86/01/939218601.db2.gz WYSZZSRRLKGRNZ-YRGRVCCFSA-N 1 0 291.351 1.940 20 5 CDBDRO COc1c(F)cc(NC[C@@]23C[NH2+][C@@H](CO2)C3)cc1[N+](=O)[O-] ZINC001163203461 939224603 /nfs/dbraw/zinc/22/46/03/939224603.db2.gz VYOGIIUANLCBQO-RNCFNFMXSA-N 1 0 297.286 1.285 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH+]3CCC2CC3)cn2cnnc12 ZINC001163395138 939262014 /nfs/dbraw/zinc/26/20/14/939262014.db2.gz OBCQQMJGYOHZQW-NSHDSACASA-N 1 0 288.311 1.144 20 5 CDBDRO C[NH2+]C1CN(c2nc(Cl)c(C)cc2[N+](=O)[O-])C1 ZINC001163702127 939311026 /nfs/dbraw/zinc/31/10/26/939311026.db2.gz YUKKABRIOHJUED-UHFFFAOYSA-N 1 0 256.693 1.360 20 5 CDBDRO C[NH2+]CCN(C)c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001163719064 939313947 /nfs/dbraw/zinc/31/39/47/939313947.db2.gz LKYQLEKTXVDYLC-UHFFFAOYSA-N 1 0 261.285 1.194 20 5 CDBDRO C[NH2+]CCN(C)C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001163719269 939314640 /nfs/dbraw/zinc/31/46/40/939314640.db2.gz VJPSYDUAOJROIB-UHFFFAOYSA-N 1 0 294.689 1.844 20 5 CDBDRO CCOc1nc(N2CC([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001163940165 939358120 /nfs/dbraw/zinc/35/81/20/939358120.db2.gz DZJYIPDJVHPLLM-UHFFFAOYSA-N 1 0 266.301 1.139 20 5 CDBDRO [NH3+][C@@H]1CCN(c2cc([N+](=O)[O-])cc(Br)n2)C1 ZINC001164282299 939445692 /nfs/dbraw/zinc/44/56/92/939445692.db2.gz VWORXOOHDJXUKT-ZCFIWIBFSA-N 1 0 287.117 1.290 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001165296387 939542108 /nfs/dbraw/zinc/54/21/08/939542108.db2.gz HBIVLNWIDXYWFR-DTWKUNHWSA-N 1 0 268.704 1.584 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001165430395 939563894 /nfs/dbraw/zinc/56/38/94/939563894.db2.gz AHGBYLAVQHTRAD-WCBMZHEXSA-N 1 0 295.318 1.085 20 5 CDBDRO [NH3+]C1CCN(c2cc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001166661732 939623673 /nfs/dbraw/zinc/62/36/73/939623673.db2.gz QJDOZEVEKBHQPE-UHFFFAOYSA-N 1 0 256.693 1.571 20 5 CDBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1cc([N+](=O)[O-])ccn1 ZINC001166699955 939628326 /nfs/dbraw/zinc/62/83/26/939628326.db2.gz FDTUOVRFYOYGNV-SNVBAGLBSA-N 1 0 286.295 1.079 20 5 CDBDRO [NH3+][C@H]1CCN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)CC1(F)F ZINC001166959302 939660298 /nfs/dbraw/zinc/66/02/98/939660298.db2.gz VUXXQKJOWAHKRP-VIFPVBQESA-N 1 0 297.265 1.644 20 5 CDBDRO Cc1cc(Cl)nc(N(C)C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001166977684 939665996 /nfs/dbraw/zinc/66/59/96/939665996.db2.gz DMPOOXVBFLDLSY-UHFFFAOYSA-N 1 0 256.693 1.360 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[NH2+]C3(CCCCC3)C2)nc1 ZINC000400702755 940854122 /nfs/dbraw/zinc/85/41/22/940854122.db2.gz ADHTYPDPEUROKO-UHFFFAOYSA-N 1 0 277.328 1.497 20 5 CDBDRO CC(C)([NH3+])CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000405971601 941001360 /nfs/dbraw/zinc/00/13/60/941001360.db2.gz KADICJRDNOWAOM-VMPITWQZSA-N 1 0 277.324 1.852 20 5 CDBDRO COC(=O)Cc1ccc(O[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218279405 941050697 /nfs/dbraw/zinc/05/06/97/941050697.db2.gz QBPYWUQXONMHIC-NSHDSACASA-N 1 0 294.307 1.441 20 5 CDBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H]1CC[NH2+]1 ZINC001218857469 941280090 /nfs/dbraw/zinc/28/00/90/941280090.db2.gz MVDDPKMQYJHWGK-LBPRGKRZSA-N 1 0 293.330 1.666 20 5 CDBDRO COC(=O)[C@H]1CC[C@@H](OCCC[N+](C)(C)C)CC1 ZINC001224621294 941777524 /nfs/dbraw/zinc/77/75/24/941777524.db2.gz QIHLVAVBHPVVEX-BETUJISGSA-N 1 0 258.382 1.831 20 5 CDBDRO C[N+](C)(C)CCO[C@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC001224775575 941790218 /nfs/dbraw/zinc/79/02/18/941790218.db2.gz MURIDHBKTRKNKN-AWEZNQCLSA-N 1 0 291.371 1.037 20 5 CDBDRO Cc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(C)c1 ZINC001225221157 941831682 /nfs/dbraw/zinc/83/16/82/941831682.db2.gz ZUWNACUYXWXJLK-CYBMUJFWSA-N 1 0 266.361 1.666 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(Cl)cn1 ZINC001225273590 941836410 /nfs/dbraw/zinc/83/64/10/941836410.db2.gz KPUQNIDHGJYCND-SNVBAGLBSA-N 1 0 273.740 1.098 20 5 CDBDRO [NH2+]=C(Cc1ccc(O[C@H](C[N+](=O)[O-])C2CC2)cc1)NO ZINC001225545745 941878144 /nfs/dbraw/zinc/87/81/44/941878144.db2.gz HGMBZQSMFQNTRR-GFCCVEGCSA-N 1 0 279.296 1.619 20 5 CDBDRO Cc1noc2cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc12 ZINC001226538250 942022200 /nfs/dbraw/zinc/02/22/00/942022200.db2.gz RTDLTLHPKWMIDC-LLVKDONJSA-N 1 0 293.343 1.499 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2cc(OC)c([N+](=O)[O-])cn2)C1 ZINC001226581340 942030443 /nfs/dbraw/zinc/03/04/43/942030443.db2.gz OPMMTDNERGSRQG-SECBINFHSA-N 1 0 267.285 1.471 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(=O)[nH]c2c1CCC2 ZINC001226591230 942031917 /nfs/dbraw/zinc/03/19/17/942031917.db2.gz NERAEFDLYAUPQB-JTQLQIEISA-O 1 0 251.350 1.749 20 5 CDBDRO COCC[NH+]1CCC(Oc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001226752227 942063145 /nfs/dbraw/zinc/06/31/45/942063145.db2.gz YOALRVGXCSTJMV-UHFFFAOYSA-N 1 0 299.302 1.619 20 5 CDBDRO COC(=O)c1ccc(O)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001227014910 942115588 /nfs/dbraw/zinc/11/55/88/942115588.db2.gz HXRFRGTXIKYGCY-JTQLQIEISA-O 1 0 268.333 1.652 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(O[C@@H]2CCC[N@@H+](C)C2)n1 ZINC001227062140 942124344 /nfs/dbraw/zinc/12/43/44/942124344.db2.gz GOLFXRPGQHWSQK-SNVBAGLBSA-N 1 0 251.286 1.771 20 5 CDBDRO COC(=O)c1cc(OC)cc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001229257466 942441918 /nfs/dbraw/zinc/44/19/18/942441918.db2.gz PZOHDEYGHWFCKN-NSHDSACASA-N 1 0 282.360 1.955 20 5 CDBDRO CC[N@@H+]1CCC[C@H](Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)C1 ZINC001230231457 942593591 /nfs/dbraw/zinc/59/35/91/942593591.db2.gz KEYDXEPCGHEOQV-VIFPVBQESA-N 1 0 291.311 1.729 20 5 CDBDRO O=[N+]([O-])c1cc2c[nH]nc2cc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001230595076 942651441 /nfs/dbraw/zinc/65/14/41/942651441.db2.gz IVTNZVAVMASLLF-CQSZACIVSA-N 1 0 288.307 1.944 20 5 CDBDRO COC(=O)c1cnc(Cl)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001231174302 942807155 /nfs/dbraw/zinc/80/71/55/942807155.db2.gz NZTAQEKJSOEUGM-VIFPVBQESA-N 1 0 287.767 1.995 20 5 CDBDRO Cc1ccnc([N+](=O)[O-])c1OC1CC[NH+](C)CC1 ZINC001233550708 943614936 /nfs/dbraw/zinc/61/49/36/943614936.db2.gz LQFQZCCLGGXSFD-UHFFFAOYSA-N 1 0 251.286 1.771 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(O[C@H](C)C[N+](C)(C)C)n1 ZINC001234881292 943966875 /nfs/dbraw/zinc/96/68/75/943966875.db2.gz NZHYGZSNDALHTO-SECBINFHSA-N 1 0 270.309 1.472 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001261128684 945970912 /nfs/dbraw/zinc/97/09/12/945970912.db2.gz ZGTZDLODRWIUDF-LBPRGKRZSA-N 1 0 293.371 1.794 20 5 CDBDRO CC(C)C[NH2+]CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001261433607 946114900 /nfs/dbraw/zinc/11/49/00/946114900.db2.gz BEBUKAPGQAXHIA-UHFFFAOYSA-N 1 0 277.324 1.730 20 5 CDBDRO CON(C)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001262568882 946719540 /nfs/dbraw/zinc/71/95/40/946719540.db2.gz JMTBTKAQFHIYAR-UHFFFAOYSA-N 1 0 296.327 1.006 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1[C@H](O)CCC[C@@H]1O ZINC001254549956 947521330 /nfs/dbraw/zinc/52/13/30/947521330.db2.gz AXMCUPYAMPGSLY-RABLLNBGSA-N 1 0 294.351 1.390 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC2(CC(O)C2)C1 ZINC001254550522 947521406 /nfs/dbraw/zinc/52/14/06/947521406.db2.gz LAEZQXYGZNWZGL-LLVKDONJSA-N 1 0 276.336 1.983 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CNC(=O)C1(C)C ZINC001254550305 947521977 /nfs/dbraw/zinc/52/19/77/947521977.db2.gz HLVBXKAAOCVTJJ-GXFFZTMASA-N 1 0 291.351 1.640 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](CO)C1 ZINC001254562816 947524879 /nfs/dbraw/zinc/52/48/79/947524879.db2.gz PFYCDJBPAQQETG-RYUDHWBXSA-N 1 0 264.325 1.840 20 5 CDBDRO CC(C)(CO)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254567430 947528717 /nfs/dbraw/zinc/52/87/17/947528717.db2.gz NWCNDXWEAUCWBY-NSHDSACASA-N 1 0 250.298 1.423 20 5 CDBDRO CCN1CC[C@@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254580147 947537924 /nfs/dbraw/zinc/53/79/24/947537924.db2.gz CIPUROHVOYLUIF-KGLIPLIRSA-N 1 0 275.352 1.746 20 5 CDBDRO C[C@H](CO)C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254585921 947540676 /nfs/dbraw/zinc/54/06/76/947540676.db2.gz YTJCBUNRJQJICU-CABZTGNLSA-N 1 0 250.298 1.280 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC001254597396 947545710 /nfs/dbraw/zinc/54/57/10/947545710.db2.gz DBQKDZMZZIUEHD-JKSUJKDBSA-N 1 0 287.363 1.842 20 5 CDBDRO C[C@H]1CC[C@@H](CO)[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593550 947546681 /nfs/dbraw/zinc/54/66/81/947546681.db2.gz MVGZIIBHBSJDHF-NZVBXONLSA-N 1 0 276.336 1.907 20 5 CDBDRO C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601082 947548897 /nfs/dbraw/zinc/54/88/97/947548897.db2.gz YPIPJHFHVRMTLN-XFJVYGCCSA-N 1 0 289.379 1.992 20 5 CDBDRO CC(=O)N[C@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605555 947552240 /nfs/dbraw/zinc/55/22/40/947552240.db2.gz BOTRWGFCVGKJCD-DZGCQCFKSA-N 1 0 289.335 1.272 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@H]1CC[NH2+]C[C@@H]1F)C2 ZINC001246088607 947940213 /nfs/dbraw/zinc/94/02/13/947940213.db2.gz VINVEBSBAAIBTI-XBFCOCLRSA-N 1 0 279.315 1.352 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCN1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246552277 948260825 /nfs/dbraw/zinc/26/08/25/948260825.db2.gz XQIPUAJVJBKRKG-OWYVNGRQSA-N 1 0 261.325 1.484 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@H]([NH3+])C[C@@H](F)C1 ZINC001246574754 948297876 /nfs/dbraw/zinc/29/78/76/948297876.db2.gz KMTXJALEQZACLB-RAIGVLPGSA-N 1 0 281.331 1.897 20 5 CDBDRO C[N@H+](CCO)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246916334 948517024 /nfs/dbraw/zinc/51/70/24/948517024.db2.gz ZXRGFXZGUIDAPG-ZDUSSCGKSA-N 1 0 264.325 1.766 20 5 CDBDRO C[NH+](C)Cc1ccc(-c2noc(CC[N+](=O)[O-])n2)cc1 ZINC001247520586 948662292 /nfs/dbraw/zinc/66/22/92/948662292.db2.gz JYOPXUCYIRGRHW-UHFFFAOYSA-N 1 0 276.296 1.617 20 5 CDBDRO C[NH2+]C[C@H](C)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001325318314 953832851 /nfs/dbraw/zinc/83/28/51/953832851.db2.gz DNUPKGXLKMIWNA-JTQLQIEISA-N 1 0 295.339 1.311 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326132891 954228326 /nfs/dbraw/zinc/22/83/26/954228326.db2.gz MXHHCBUTIYMEBP-GFCCVEGCSA-N 1 0 290.323 1.372 20 5 CDBDRO CC[NH+](CC)CCN(CC[N+](=O)[O-])CCC(F)(F)F ZINC001307512735 956412652 /nfs/dbraw/zinc/41/26/52/956412652.db2.gz FVODQRAGFFJDIW-UHFFFAOYSA-N 1 0 285.310 1.859 20 5 CDBDRO CC[C@H](O)C[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC001335345534 959730725 /nfs/dbraw/zinc/73/07/25/959730725.db2.gz MISPPNFYLJMHTC-LBPRGKRZSA-N 1 0 253.302 1.367 20 5 CDBDRO CN1CCCC[C@@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335368964 959746434 /nfs/dbraw/zinc/74/64/34/959746434.db2.gz TWQCLRIBZLMTQE-HUUCEWRRSA-N 1 0 293.367 1.702 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])CC1 ZINC001342928534 963860799 /nfs/dbraw/zinc/86/07/99/963860799.db2.gz PKYMRKZAGIHFMY-UHFFFAOYSA-N 1 0 281.337 1.538 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N1CCC[C@H]([NH+](C)C)C1 ZINC001343336007 963953949 /nfs/dbraw/zinc/95/39/49/963953949.db2.gz LBPVNAYUFVOADC-NSHDSACASA-N 1 0 264.329 1.829 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001345141457 964595866 /nfs/dbraw/zinc/59/58/66/964595866.db2.gz MLWIHOWYSPPPQR-QWRGUYRKSA-N 1 0 294.355 1.953 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CC12CC2 ZINC001346463000 965124842 /nfs/dbraw/zinc/12/48/42/965124842.db2.gz WCEBKVJSJWUUJC-GFCCVEGCSA-N 1 0 275.308 1.006 20 5 CDBDRO C[NH2+]C1CC(C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)C1 ZINC001357588805 969625307 /nfs/dbraw/zinc/62/53/07/969625307.db2.gz UYQZGJRPNGOTCE-UHFFFAOYSA-N 1 0 289.335 1.790 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC000601187425 342489422 /nfs/dbraw/zinc/48/94/22/342489422.db2.gz SOPGOLRTKVKHAI-UHFFFAOYSA-N 1 0 264.329 1.829 20 5 CDBDRO CC(C)(C(=O)N1CC[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000269127054 190470087 /nfs/dbraw/zinc/47/00/87/190470087.db2.gz MINNRIHGHHJSQP-LLVKDONJSA-N 1 0 277.324 1.432 20 5 CDBDRO Cc1ccc(N[C@H](CO)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000589101841 342496840 /nfs/dbraw/zinc/49/68/40/342496840.db2.gz NTXUBYAEMDZUPF-JTQLQIEISA-N 1 0 253.302 1.238 20 5 CDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000590402822 342544015 /nfs/dbraw/zinc/54/40/15/342544015.db2.gz GDBZAJFVPVRXGW-SMDDNHRTSA-N 1 0 291.351 1.688 20 5 CDBDRO C[NH+](C)C(C)(C)CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000045013009 341998848 /nfs/dbraw/zinc/99/88/48/341998848.db2.gz BZQUSVQBBLVBOY-UHFFFAOYSA-N 1 0 271.342 1.726 20 5 CDBDRO O=[N+]([O-])c1cccc(CN2CCC([NH2+]CCO)CC2)c1 ZINC000601328732 342554425 /nfs/dbraw/zinc/55/44/25/342554425.db2.gz XMENHHBERLMAJM-UHFFFAOYSA-N 1 0 279.340 1.141 20 5 CDBDRO Cn1cc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000046037650 342049091 /nfs/dbraw/zinc/04/90/91/342049091.db2.gz NBKBQVKUTITORI-UHFFFAOYSA-N 1 0 290.323 1.839 20 5 CDBDRO Cc1c(NC(=O)CCCC[NH3+])cccc1[N+](=O)[O-] ZINC000070202034 361789603 /nfs/dbraw/zinc/78/96/03/361789603.db2.gz GJRIRTHTSYQBTM-UHFFFAOYSA-N 1 0 251.286 1.971 20 5 CDBDRO CC[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000590646766 342581112 /nfs/dbraw/zinc/58/11/12/342581112.db2.gz IYAWLBDBVRDFNL-ZYHUDNBSSA-N 1 0 268.317 1.339 20 5 CDBDRO C[N@H+](CCO)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000203998316 342053055 /nfs/dbraw/zinc/05/30/55/342053055.db2.gz GEQWLXSCWKIFHS-UHFFFAOYSA-N 1 0 279.340 1.488 20 5 CDBDRO C[C@@]1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCC[NH2+]1 ZINC000120674962 342058815 /nfs/dbraw/zinc/05/88/15/342058815.db2.gz XWVBEUKAFGDGGY-HNNXBMFYSA-N 1 0 289.335 1.622 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)C[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000237631341 342064764 /nfs/dbraw/zinc/06/47/64/342064764.db2.gz ZNRWFCMYLGRSRO-JTQLQIEISA-N 1 0 277.324 1.832 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000609189782 342093402 /nfs/dbraw/zinc/09/34/02/342093402.db2.gz ABIOUGVGFIZFLT-UHFFFAOYSA-N 1 0 294.355 1.538 20 5 CDBDRO C[NH+](C)C1(CNc2cccnc2[N+](=O)[O-])CCC1 ZINC000097934337 342096357 /nfs/dbraw/zinc/09/63/57/342096357.db2.gz HIVAHHOJSFQGGI-UHFFFAOYSA-N 1 0 250.302 1.886 20 5 CDBDRO CC1(C(=O)N2CCc3c2cccc3[N+](=O)[O-])C[NH2+]C1 ZINC000591668565 342641160 /nfs/dbraw/zinc/64/11/60/342641160.db2.gz WBPITFZJBBQZRI-UHFFFAOYSA-N 1 0 261.281 1.093 20 5 CDBDRO Cc1c(CC(=O)N(C)CCC[NH3+])cccc1[N+](=O)[O-] ZINC000591679740 342641729 /nfs/dbraw/zinc/64/17/29/342641729.db2.gz VVWROEBZGFDXKB-UHFFFAOYSA-N 1 0 265.313 1.253 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC(C)(C)CCC[NH3+] ZINC000591686008 342643328 /nfs/dbraw/zinc/64/33/28/342643328.db2.gz JZIGZDUTNSRULP-UHFFFAOYSA-N 1 0 295.339 1.851 20 5 CDBDRO CNc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000592297319 342684219 /nfs/dbraw/zinc/68/42/19/342684219.db2.gz ZYQFHDICOAWCDZ-GXSJLCMTSA-N 1 0 292.339 1.446 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CCC[NH3+])c1 ZINC000592337921 342685712 /nfs/dbraw/zinc/68/57/12/342685712.db2.gz WXKWKADDAZSNOB-SECBINFHSA-N 1 0 281.312 1.461 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000154028962 342154549 /nfs/dbraw/zinc/15/45/49/342154549.db2.gz FNOYSHVMWQVQTJ-WDEREUQCSA-N 1 0 293.323 1.312 20 5 CDBDRO O=C1CC[C@@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)N1 ZINC000593021721 342758498 /nfs/dbraw/zinc/75/84/98/342758498.db2.gz XLSBWHDKGNHRQS-LBPRGKRZSA-N 1 0 289.335 1.838 20 5 CDBDRO C[C@@H](CCO)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000593109995 342769660 /nfs/dbraw/zinc/76/96/60/342769660.db2.gz PTVZEGQQYOQZIK-NSHDSACASA-N 1 0 268.313 1.676 20 5 CDBDRO Cc1n[nH]cc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000289902976 361882019 /nfs/dbraw/zinc/88/20/19/361882019.db2.gz UNSPGUAKLNNOCT-UHFFFAOYSA-N 1 0 275.312 1.592 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000305965395 342181364 /nfs/dbraw/zinc/18/13/64/342181364.db2.gz JCXJXPMARXIVSN-UHFFFAOYSA-N 1 0 271.704 1.669 20 5 CDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000382462674 361931039 /nfs/dbraw/zinc/93/10/39/361931039.db2.gz XKNPSHKWZSMVGJ-GXSJLCMTSA-N 1 0 278.312 1.844 20 5 CDBDRO Cc1ccc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000382458951 361945153 /nfs/dbraw/zinc/94/51/53/361945153.db2.gz SWRRUPHJVZKYNO-CMPLNLGQSA-N 1 0 277.324 1.760 20 5 CDBDRO CCNC(=O)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000157959085 342212695 /nfs/dbraw/zinc/21/26/95/342212695.db2.gz FZWPBWNGXKQKJE-NSHDSACASA-N 1 0 279.340 1.642 20 5 CDBDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000159513401 361992085 /nfs/dbraw/zinc/99/20/85/361992085.db2.gz PETHYBJMNMLEFF-UWVGGRQHSA-N 1 0 281.312 1.234 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000593902916 342853953 /nfs/dbraw/zinc/85/39/53/342853953.db2.gz IASGZTMCXNNDBN-SNVBAGLBSA-N 1 0 263.297 1.923 20 5 CDBDRO CN(C(=O)c1c(F)cccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000600886818 342253395 /nfs/dbraw/zinc/25/33/95/342253395.db2.gz QJQSLNZTNCTVRS-UHFFFAOYSA-N 1 0 295.314 1.900 20 5 CDBDRO C[C@H](C[C@H](C)O)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611931595 346910066 /nfs/dbraw/zinc/91/00/66/346910066.db2.gz BGWZDBQYMXGZJT-ZJUUUORDSA-N 1 0 296.323 1.615 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000595001314 342995333 /nfs/dbraw/zinc/99/53/33/342995333.db2.gz UROFIIHRBVTJRP-MGCOHNPYSA-N 1 0 252.270 1.216 20 5 CDBDRO CC(C)(C)[NH2+]CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000075651281 342314098 /nfs/dbraw/zinc/31/40/98/342314098.db2.gz ONPTWABZIVQNIH-UHFFFAOYSA-N 1 0 265.313 1.713 20 5 CDBDRO Cc1noc(CN2CCC[C@H]2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000595308603 343032268 /nfs/dbraw/zinc/03/22/68/343032268.db2.gz LCYKOCLCBTZABW-LBPRGKRZSA-N 1 0 294.355 1.951 20 5 CDBDRO Cc1noc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1[N+](=O)[O-] ZINC000595513714 343082667 /nfs/dbraw/zinc/08/26/67/343082667.db2.gz ZXNCMUYOMSTRHX-WQAKAFBOSA-N 1 0 293.323 1.938 20 5 CDBDRO CC[N@@H+]1CCCN(Cc2onc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000595534698 343091581 /nfs/dbraw/zinc/09/15/81/343091581.db2.gz FALIOLILBRHCOX-SNVBAGLBSA-N 1 0 282.344 1.807 20 5 CDBDRO Cc1c(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000235729261 362041042 /nfs/dbraw/zinc/04/10/42/362041042.db2.gz MXDVIGUWZDWGIZ-GXSJLCMTSA-N 1 0 277.324 1.774 20 5 CDBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000078575351 342338481 /nfs/dbraw/zinc/33/84/81/342338481.db2.gz GFOWIGYDXRJEKD-GFCCVEGCSA-N 1 0 264.329 1.910 20 5 CDBDRO C[N@H+]1CC=C(CNc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000342935230 362106535 /nfs/dbraw/zinc/10/65/35/362106535.db2.gz SEEJDJZWQKFPSD-UHFFFAOYSA-N 1 0 290.323 1.368 20 5 CDBDRO Cc1cnc(N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000078658312 342339106 /nfs/dbraw/zinc/33/91/06/342339106.db2.gz ODRIODLYUHWDDR-LBPRGKRZSA-N 1 0 276.340 1.973 20 5 CDBDRO O=C1CC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1 ZINC000595744311 343150539 /nfs/dbraw/zinc/15/05/39/343150539.db2.gz VTZTVUGCJBMUKO-GXTWGEPZSA-N 1 0 289.335 1.695 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000595961038 343196783 /nfs/dbraw/zinc/19/67/83/343196783.db2.gz IEURHMYJNJXRPB-UHFFFAOYSA-N 1 0 280.328 1.202 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH3+])CCCC2)c1 ZINC000595941084 343203643 /nfs/dbraw/zinc/20/36/43/343203643.db2.gz MBRBQKHTUHRDJG-UHFFFAOYSA-N 1 0 293.323 1.605 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000595946020 343205658 /nfs/dbraw/zinc/20/56/58/343205658.db2.gz SFWVNPUTRLNRPY-UHFFFAOYSA-N 1 0 281.312 1.169 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000595981952 343210875 /nfs/dbraw/zinc/21/08/75/343210875.db2.gz HOYHDZHBOUIYSN-SECBINFHSA-N 1 0 251.286 1.241 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000595920526 343192186 /nfs/dbraw/zinc/19/21/86/343192186.db2.gz TUKFYPUPINDEDX-JTQLQIEISA-N 1 0 251.286 1.209 20 5 CDBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[N@H+](C)C1CC1 ZINC000596110878 343229783 /nfs/dbraw/zinc/22/97/83/343229783.db2.gz RVNLXVDOGSSYCA-SECBINFHSA-N 1 0 292.339 1.588 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596112915 343230375 /nfs/dbraw/zinc/23/03/75/343230375.db2.gz WQWXULWLVNNBNW-VIFPVBQESA-N 1 0 278.312 1.057 20 5 CDBDRO COCC[NH+]1CCC(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596090271 343233937 /nfs/dbraw/zinc/23/39/37/343233937.db2.gz NWXJWBFKPQLKHR-UHFFFAOYSA-N 1 0 296.327 1.218 20 5 CDBDRO Cc1cc(C(=O)N[C@@H](C)CC[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000081765139 342373447 /nfs/dbraw/zinc/37/34/47/342373447.db2.gz NIKXABMFYFBNRV-JTQLQIEISA-N 1 0 294.355 1.555 20 5 CDBDRO CCCC[N@H+](C)CCNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596121572 343248225 /nfs/dbraw/zinc/24/82/25/343248225.db2.gz FFRASQWIBPDIHG-UHFFFAOYSA-N 1 0 267.333 1.138 20 5 CDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000596243469 343285407 /nfs/dbraw/zinc/28/54/07/343285407.db2.gz GHYKSIDHMRJDBB-ONGXEEELSA-N 1 0 250.302 1.519 20 5 CDBDRO Cc1cc(N[C@@H]2CCC[N@H+](CCCO)C2)ncc1[N+](=O)[O-] ZINC000294989826 199287108 /nfs/dbraw/zinc/28/71/08/199287108.db2.gz QEZIAAMVNUPELI-GFCCVEGCSA-N 1 0 294.355 1.557 20 5 CDBDRO Cc1nn(C)c(N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000596335215 343298011 /nfs/dbraw/zinc/29/80/11/343298011.db2.gz HESCDBBVWVLGQS-SNVBAGLBSA-N 1 0 281.360 1.921 20 5 CDBDRO C[C@H]([NH2+]CC1(CO)COC1)c1cccc([N+](=O)[O-])c1 ZINC000090606697 342396766 /nfs/dbraw/zinc/39/67/66/342396766.db2.gz ZKSUKDNVQJGRED-JTQLQIEISA-N 1 0 266.297 1.254 20 5 CDBDRO CCc1nn(C)c(N2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000094154330 342429952 /nfs/dbraw/zinc/42/99/52/342429952.db2.gz KJIPLSQKXHCFEQ-SNVBAGLBSA-N 1 0 281.360 1.421 20 5 CDBDRO C[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000164685313 342438925 /nfs/dbraw/zinc/43/89/25/342438925.db2.gz XBXMMZJATUVHSW-UHFFFAOYSA-N 1 0 272.308 1.895 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000076269109 342448524 /nfs/dbraw/zinc/44/85/24/342448524.db2.gz GFWBDQIOWNDAGR-MRVPVSSYSA-N 1 0 268.321 1.109 20 5 CDBDRO C[NH+](C)C1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000596897948 343411546 /nfs/dbraw/zinc/41/15/46/343411546.db2.gz WXCNWWBOZFCOIB-UHFFFAOYSA-N 1 0 277.324 1.348 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCCC[C@H]1CCC[NH2+]1 ZINC000295001035 199294261 /nfs/dbraw/zinc/29/42/61/199294261.db2.gz ZZPFCUFVJHPSJV-CYBMUJFWSA-N 1 0 291.351 1.786 20 5 CDBDRO Cc1c(CC(=O)NCC[C@@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000597994408 343683700 /nfs/dbraw/zinc/68/37/00/343683700.db2.gz XXXKBEQGJYZXQM-LLVKDONJSA-N 1 0 293.367 1.902 20 5 CDBDRO C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000598646667 343856413 /nfs/dbraw/zinc/85/64/13/343856413.db2.gz WINVFKOECNRMSJ-STQMWFEESA-N 1 0 294.351 1.924 20 5 CDBDRO CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC[NH2+]1 ZINC000598569095 343831701 /nfs/dbraw/zinc/83/17/01/343831701.db2.gz ABBHNBCAIBGRLW-LBPRGKRZSA-N 1 0 293.323 1.370 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915501 343919608 /nfs/dbraw/zinc/91/96/08/343919608.db2.gz NGDSEDWPUYNNCE-SSDOTTSWSA-N 1 0 270.264 1.450 20 5 CDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1C[C@@H](O)C1 ZINC000599674078 344114977 /nfs/dbraw/zinc/11/49/77/344114977.db2.gz WIUVHBDIVIUMNP-BJHJDKERSA-N 1 0 280.324 1.676 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601974663 344301409 /nfs/dbraw/zinc/30/14/09/344301409.db2.gz UHLDDRBBFNOCOH-TXEJJXNPSA-N 1 0 278.308 1.682 20 5 CDBDRO CO[C@](C)(C[NH2+]CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000602568338 344484313 /nfs/dbraw/zinc/48/43/13/344484313.db2.gz JZXSSTCLRWMPDP-GFCCVEGCSA-N 1 0 268.317 1.196 20 5 CDBDRO Cc1c(CN2CC[N@@H+](C)C[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000602714920 344554798 /nfs/dbraw/zinc/55/47/98/344554798.db2.gz KIJHKHFYTKSONO-CYBMUJFWSA-N 1 0 279.340 1.012 20 5 CDBDRO COC1CCC([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602779580 344595703 /nfs/dbraw/zinc/59/57/03/344595703.db2.gz IWQYIXPDWFZYOP-UHFFFAOYSA-N 1 0 296.371 1.989 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H]1CCCOC1 ZINC000602833863 344615286 /nfs/dbraw/zinc/61/52/86/344615286.db2.gz WRBIALVIYAZQJV-NSHDSACASA-N 1 0 268.317 1.211 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000602788383 344600344 /nfs/dbraw/zinc/60/03/44/344600344.db2.gz OPPXJVPXTIOZMA-RYUDHWBXSA-N 1 0 264.329 1.832 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000602902064 344655141 /nfs/dbraw/zinc/65/51/41/344655141.db2.gz FOUGIFVOEVPVCN-GXFFZTMASA-N 1 0 282.344 1.050 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000602914146 344647423 /nfs/dbraw/zinc/64/74/23/344647423.db2.gz RUFIPKOTGPJKOE-PWSUYJOCSA-N 1 0 282.344 1.050 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1CSCC[NH2+]1 ZINC000603421290 344800198 /nfs/dbraw/zinc/80/01/98/344800198.db2.gz ZGJMBYYTADVEST-QMMMGPOBSA-N 1 0 288.760 1.760 20 5 CDBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000603432940 344803801 /nfs/dbraw/zinc/80/38/01/344803801.db2.gz KVPIDRSJTNJLHZ-NEPJUHHUSA-N 1 0 267.304 1.949 20 5 CDBDRO C[N@@H+]1CC[C@@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000609480949 344910891 /nfs/dbraw/zinc/91/08/91/344910891.db2.gz BZTPPGYDGJEISM-LLVKDONJSA-N 1 0 293.323 1.042 20 5 CDBDRO CC(C)[NH2+][C@@H]1CCCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000604540062 344899276 /nfs/dbraw/zinc/89/92/76/344899276.db2.gz VZNGCMZHGAEUIZ-SNVBAGLBSA-N 1 0 267.333 1.295 20 5 CDBDRO CC[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159721851 362510149 /nfs/dbraw/zinc/51/01/49/362510149.db2.gz GXWOGLSXZWHMLP-GFCCVEGCSA-N 1 0 279.340 1.879 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](O)CC2)c1 ZINC000293029485 362526328 /nfs/dbraw/zinc/52/63/28/362526328.db2.gz GDSQWIVEERXHHT-CYBMUJFWSA-N 1 0 280.324 1.820 20 5 CDBDRO COc1cccc(N2CC[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000293106307 362530649 /nfs/dbraw/zinc/53/06/49/362530649.db2.gz PXUJHOYBZJKSDA-LLVKDONJSA-N 1 0 279.340 1.991 20 5 CDBDRO CN1CCN(C)[C@H](CNc2ccc([N+](=O)[O-])s2)C1 ZINC000609517009 345592462 /nfs/dbraw/zinc/59/24/62/345592462.db2.gz CMPNSNFDGHKSNF-SECBINFHSA-N 1 0 270.358 1.314 20 5 CDBDRO O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@H](CO)C1 ZINC000092763086 345626754 /nfs/dbraw/zinc/62/67/54/345626754.db2.gz HQYSMVPRVJNBRR-VIFPVBQESA-N 1 0 252.270 1.115 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH2+]CC1 ZINC000037116562 346351261 /nfs/dbraw/zinc/35/12/61/346351261.db2.gz MJWSZLDAXJFWFD-UHFFFAOYSA-N 1 0 263.297 1.385 20 5 CDBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CC3(O)CCC3)CC2)c1 ZINC000610705956 346365726 /nfs/dbraw/zinc/36/57/26/346365726.db2.gz VBNFMSVYODAYBR-UHFFFAOYSA-N 1 0 291.351 1.632 20 5 CDBDRO Cc1cc(N2CC[C@@H](OCC[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000611132784 346617074 /nfs/dbraw/zinc/61/70/74/346617074.db2.gz MYOBIQKHPVMEGO-GFCCVEGCSA-N 1 0 294.355 1.455 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CC(=O)N(C)C1 ZINC000540175326 282500388 /nfs/dbraw/zinc/50/03/88/282500388.db2.gz TYEWUOMSWGSKMI-MNOVXSKESA-N 1 0 277.324 1.785 20 5 CDBDRO C[C@@]1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000128894726 187396992 /nfs/dbraw/zinc/39/69/92/187396992.db2.gz RLULZMQIGYSLFI-OAHLLOKOSA-N 1 0 291.351 1.643 20 5 CDBDRO Cc1c(C(=O)NC[C@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000025149379 348619914 /nfs/dbraw/zinc/61/99/14/348619914.db2.gz LPQAGRREBSXTTC-VIFPVBQESA-N 1 0 265.313 1.583 20 5 CDBDRO C[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000033559715 348698289 /nfs/dbraw/zinc/69/82/89/348698289.db2.gz ITBOEPWKLBPATD-UHFFFAOYSA-N 1 0 275.312 1.219 20 5 CDBDRO CC(C)[NH2+]C1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000057838342 348847950 /nfs/dbraw/zinc/84/79/50/348847950.db2.gz NJBMQWFSICKAFB-UHFFFAOYSA-N 1 0 267.333 1.295 20 5 CDBDRO CCC[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000063756157 348932179 /nfs/dbraw/zinc/93/21/79/348932179.db2.gz LHQDXNSMTHDECD-LBPRGKRZSA-N 1 0 268.313 1.676 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344554118 362937400 /nfs/dbraw/zinc/93/74/00/362937400.db2.gz GBFNNRANRPQVAM-VIFPVBQESA-N 1 0 283.303 1.804 20 5 CDBDRO CC(C)[C@H](CCO)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000273987625 192392113 /nfs/dbraw/zinc/39/21/13/192392113.db2.gz JINGMWSYGIOVJT-NSHDSACASA-N 1 0 295.339 1.530 20 5 CDBDRO COC[C@@H](O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090950123 180071667 /nfs/dbraw/zinc/07/16/67/180071667.db2.gz IJPVSBLEQBAVIZ-RYUDHWBXSA-N 1 0 282.340 1.951 20 5 CDBDRO COc1ccc(CN(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000123303696 350347112 /nfs/dbraw/zinc/34/71/12/350347112.db2.gz VANMYGYKXSKXEC-UHFFFAOYSA-N 1 0 253.302 1.384 20 5 CDBDRO Cc1cnn(CC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000105881928 186083044 /nfs/dbraw/zinc/08/30/44/186083044.db2.gz GBMVSIVMUAQLLW-UHFFFAOYSA-N 1 0 266.326 1.951 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NCCN1CCOCC1 ZINC000112208836 365975733 /nfs/dbraw/zinc/97/57/33/365975733.db2.gz RTPBBUGFFABQLF-UHFFFAOYSA-N 1 0 265.313 1.647 20 5 CDBDRO C[C@@H]1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCS1(=O)=O ZINC000312090829 350746323 /nfs/dbraw/zinc/74/63/23/350746323.db2.gz POQKLGBGMRMPIW-BXKDBHETSA-N 1 0 284.337 1.260 20 5 CDBDRO CC[C@H](C)[NH+]1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000313033710 350812839 /nfs/dbraw/zinc/81/28/39/350812839.db2.gz QKZWKNBOPJCCOW-JTQLQIEISA-N 1 0 279.344 1.493 20 5 CDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000268861684 366044673 /nfs/dbraw/zinc/04/46/73/366044673.db2.gz ROEOEPYOQOUEBH-DGCLKSJQSA-N 1 0 291.351 1.736 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000122323478 187027028 /nfs/dbraw/zinc/02/70/28/187027028.db2.gz RKRKKWAKYWSIHF-LBPRGKRZSA-N 1 0 263.297 1.087 20 5 CDBDRO Cc1cc(C(=O)NCCCC[NH3+])cc([N+](=O)[O-])c1 ZINC000136211025 187871178 /nfs/dbraw/zinc/87/11/78/187871178.db2.gz RRZHHFYMQGIUQG-UHFFFAOYSA-N 1 0 251.286 1.372 20 5 CDBDRO NC(=O)[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000154991345 188175477 /nfs/dbraw/zinc/17/54/77/188175477.db2.gz ONPGWHUSIUJENJ-YIALFULDSA-N 1 0 289.335 1.805 20 5 CDBDRO C[C@H]1C[C@@H](O)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000292444005 198290508 /nfs/dbraw/zinc/29/05/08/198290508.db2.gz OTQSFNMBLDEHQJ-RYUDHWBXSA-N 1 0 280.324 1.819 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000156531294 188267348 /nfs/dbraw/zinc/26/73/48/188267348.db2.gz VSABYORZYZVGTA-GXSJLCMTSA-N 1 0 292.339 1.376 20 5 CDBDRO COc1cc(C(=O)NC[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000156685753 188276252 /nfs/dbraw/zinc/27/62/52/188276252.db2.gz USOUGDFNBVCTQM-SNVBAGLBSA-N 1 0 293.323 1.333 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158281157 188366913 /nfs/dbraw/zinc/36/69/13/188366913.db2.gz BDWGDEMNLLMCDW-OAHLLOKOSA-N 1 0 289.335 1.349 20 5 CDBDRO CCc1ccc(C(=O)N2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000158502729 188379360 /nfs/dbraw/zinc/37/93/60/188379360.db2.gz QHLCJUVRFDLRQJ-GFCCVEGCSA-N 1 0 277.324 1.721 20 5 CDBDRO C[NH2+]CC1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000063159383 363236842 /nfs/dbraw/zinc/23/68/42/363236842.db2.gz COVAVROWKIYWAO-UHFFFAOYSA-N 1 0 291.351 1.975 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000160663465 188485375 /nfs/dbraw/zinc/48/53/75/188485375.db2.gz IGRALWJVXALHOS-QMMMGPOBSA-N 1 0 269.326 1.399 20 5 CDBDRO CC(C)([NH3+])CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000236597525 363264852 /nfs/dbraw/zinc/26/48/52/363264852.db2.gz JYIIEMIBHXBLNY-UHFFFAOYSA-N 1 0 294.355 1.640 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCC2)cc1[N+](=O)[O-] ZINC000271758834 191309515 /nfs/dbraw/zinc/30/95/15/191309515.db2.gz FHWRXUKAOQDIAV-LLVKDONJSA-N 1 0 277.324 1.786 20 5 CDBDRO COC[C@@H]1C[C@H](O)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000411926114 363380543 /nfs/dbraw/zinc/38/05/43/363380543.db2.gz UXPBORSUDPVAPN-KBPBESRZSA-N 1 0 280.324 1.219 20 5 CDBDRO C[NH+](C)C1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000271784681 191324226 /nfs/dbraw/zinc/32/42/26/191324226.db2.gz SXYFBAXKOBQXJP-UHFFFAOYSA-N 1 0 283.715 1.634 20 5 CDBDRO O=C1NCC[C@]12CCCN2Cc1ccc([N+](=O)[O-])cc1 ZINC000578080092 356131843 /nfs/dbraw/zinc/13/18/43/356131843.db2.gz MNOHUFBXNGUGOZ-CQSZACIVSA-N 1 0 275.308 1.449 20 5 CDBDRO Cc1c(C[N@H+]2C[C@@H](C)[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000286252315 356236618 /nfs/dbraw/zinc/23/66/18/356236618.db2.gz QTGPHBVWEZDSMO-BXKDBHETSA-N 1 0 277.324 1.456 20 5 CDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000229904374 356306851 /nfs/dbraw/zinc/30/68/51/356306851.db2.gz MMBKPZLIMAEUCO-JHJVBQTASA-N 1 0 281.356 1.129 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000134612105 356361983 /nfs/dbraw/zinc/36/19/83/356361983.db2.gz AFRIGMZBTVYYDN-JTQLQIEISA-N 1 0 250.302 1.744 20 5 CDBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000070149039 356844700 /nfs/dbraw/zinc/84/47/00/356844700.db2.gz WBWCFLUQGNKKMU-VIFPVBQESA-N 1 0 266.301 1.266 20 5 CDBDRO COCCC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000036926654 356891380 /nfs/dbraw/zinc/89/13/80/356891380.db2.gz RYDPGYHDBUTXPM-UHFFFAOYSA-N 1 0 254.286 1.730 20 5 CDBDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000048335821 357178481 /nfs/dbraw/zinc/17/84/81/357178481.db2.gz QGOPNACCBLUEHX-JTQLQIEISA-N 1 0 266.297 1.836 20 5 CDBDRO CC[NH+]1CCC(Nc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000341369186 357239009 /nfs/dbraw/zinc/23/90/09/357239009.db2.gz XUUYJEZSGMVOJF-UHFFFAOYSA-N 1 0 292.339 1.590 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000221448296 357243732 /nfs/dbraw/zinc/24/37/32/357243732.db2.gz AFTNNYAKXVQNCH-GXTWGEPZSA-N 1 0 289.335 1.348 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCN1CCOC[C@@H]1C ZINC000360896958 357737544 /nfs/dbraw/zinc/73/75/44/357737544.db2.gz MRKVTSNVFIXFMM-JTQLQIEISA-N 1 0 297.359 1.252 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000135229955 357799501 /nfs/dbraw/zinc/79/95/01/357799501.db2.gz DBGWQSSGFNKQLI-DTORHVGOSA-N 1 0 281.287 1.556 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000286895370 358024890 /nfs/dbraw/zinc/02/48/90/358024890.db2.gz GOCIFVRUWDZHFW-ZETCQYMHSA-N 1 0 257.315 1.336 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000189831667 358041677 /nfs/dbraw/zinc/04/16/77/358041677.db2.gz OXEGGDFWSZWMMT-UHFFFAOYSA-N 1 0 292.339 1.343 20 5 CDBDRO COC(=O)c1cc(C)nc(NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000287060577 358090462 /nfs/dbraw/zinc/09/04/62/358090462.db2.gz SKUJDRWAMLDYAI-UHFFFAOYSA-N 1 0 282.300 1.058 20 5 CDBDRO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCS1 ZINC000192169989 358179685 /nfs/dbraw/zinc/17/96/85/358179685.db2.gz UBCXOFDBXIBBHO-LLVKDONJSA-N 1 0 297.380 1.584 20 5 CDBDRO Cc1c(CN2CCOC[C@]23CCOC3)cccc1[N+](=O)[O-] ZINC000193722966 358318999 /nfs/dbraw/zinc/31/89/99/358318999.db2.gz HQWPFGPTWVZJBK-OAHLLOKOSA-N 1 0 292.335 1.895 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1COCCO1 ZINC000337784306 358347310 /nfs/dbraw/zinc/34/73/10/358347310.db2.gz AFYUDBMBBWQQNH-CYBMUJFWSA-N 1 0 296.323 1.499 20 5 CDBDRO Cc1ccc(NC(=O)C[C@@H]2C[NH2+]C[C@H]2C)c(N)c1[N+](=O)[O-] ZINC001579719979 1172247453 /nfs/dbraw/zinc/24/74/53/1172247453.db2.gz OTEGBYZVQPAVLV-NXEZZACHSA-N 1 0 292.339 1.670 20 5 CDBDRO COCC[C@H](CO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567123908 358630753 /nfs/dbraw/zinc/63/07/53/358630753.db2.gz VFFMKBSZMZQUOA-MFKMUULPSA-N 1 0 280.324 1.569 20 5 CDBDRO COc1ccc(C(=O)N2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000054369736 358595715 /nfs/dbraw/zinc/59/57/15/358595715.db2.gz MPQBBSKQXCFQOI-SECBINFHSA-N 1 0 279.296 1.037 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)CCC[NH+](C)C ZINC000567421926 358674276 /nfs/dbraw/zinc/67/42/76/358674276.db2.gz LNVFMILOFYNEJA-UHFFFAOYSA-N 1 0 269.349 1.508 20 5 CDBDRO Cc1c(OC[C@H](O)C[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000290844721 358677328 /nfs/dbraw/zinc/67/73/28/358677328.db2.gz WMQWNFPGDKQRRU-GFCCVEGCSA-N 1 0 280.324 1.737 20 5 CDBDRO COC[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176243348 358750404 /nfs/dbraw/zinc/75/04/04/358750404.db2.gz CUSJTZOFGAMUSO-LLVKDONJSA-N 1 0 268.317 1.150 20 5 CDBDRO C[C@@H](O)[C@@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000567727309 358724688 /nfs/dbraw/zinc/72/46/88/358724688.db2.gz KEUZFAHGVBCRPB-NXEZZACHSA-N 1 0 277.324 1.978 20 5 CDBDRO C[C@@H](CCCC[NH3+])NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000382253738 358774905 /nfs/dbraw/zinc/77/49/05/358774905.db2.gz AXQHLEMYKVOXOX-VIFPVBQESA-N 1 0 268.317 1.181 20 5 CDBDRO CCc1ccc(C(=O)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000120363911 358808589 /nfs/dbraw/zinc/80/85/89/358808589.db2.gz AXJAYTKRHHEMPR-GFCCVEGCSA-N 1 0 277.324 1.639 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435249661 359044299 /nfs/dbraw/zinc/04/42/99/359044299.db2.gz VGKPRRFJKXUQMX-NSHDSACASA-N 1 0 293.298 1.700 20 5 CDBDRO C[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000342516726 359079634 /nfs/dbraw/zinc/07/96/34/359079634.db2.gz WPARQJQGYNCKMY-SKDRFNHKSA-N 1 0 292.339 1.080 20 5 CDBDRO COc1ccc(CNC(=O)CC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000569941144 359271003 /nfs/dbraw/zinc/27/10/03/359271003.db2.gz KWFLGJBLRRHDIA-UHFFFAOYSA-N 1 0 293.323 1.362 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[N@@H+](CCO)C1CCC1 ZINC000221159213 359464794 /nfs/dbraw/zinc/46/47/94/359464794.db2.gz ATPJIQFKOGILRE-UHFFFAOYSA-N 1 0 250.298 1.942 20 5 CDBDRO CC[NH+]1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000037977425 359471078 /nfs/dbraw/zinc/47/10/78/359471078.db2.gz IRQRGHMKYZHBDZ-UHFFFAOYSA-N 1 0 250.302 1.886 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000130331701 359536051 /nfs/dbraw/zinc/53/60/51/359536051.db2.gz YDEUXHVPUDFZBT-QMMMGPOBSA-N 1 0 254.290 1.170 20 5 CDBDRO CC[N@H+](CCC(=O)OC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000050053760 359565601 /nfs/dbraw/zinc/56/56/01/359565601.db2.gz KARFLMAOLQGXRN-UHFFFAOYSA-N 1 0 296.323 1.988 20 5 CDBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000353190638 359580797 /nfs/dbraw/zinc/58/07/97/359580797.db2.gz OLRNCPLZCPRLGA-KBPBESRZSA-N 1 0 280.324 1.878 20 5 CDBDRO Cc1cc(NCC[N@@H+](C)C2CC2)ncc1[N+](=O)[O-] ZINC000073000405 359943233 /nfs/dbraw/zinc/94/32/33/359943233.db2.gz DCJAJPIRDPFBHF-UHFFFAOYSA-N 1 0 250.302 1.804 20 5 CDBDRO C[C@@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000062855995 360013147 /nfs/dbraw/zinc/01/31/47/360013147.db2.gz YEIKVDAQSQOHSZ-CQSZACIVSA-N 1 0 277.324 1.601 20 5 CDBDRO COc1ccc(C(=O)NCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000054265517 360065778 /nfs/dbraw/zinc/06/57/78/360065778.db2.gz UKOWTOJLDBLENT-UHFFFAOYSA-N 1 0 279.296 1.085 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCC[NH2+]C1CC1 ZINC000054265739 360066250 /nfs/dbraw/zinc/06/62/50/360066250.db2.gz NQFCSJKXAMMKGL-UHFFFAOYSA-N 1 0 263.297 1.006 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000235382204 360075365 /nfs/dbraw/zinc/07/53/65/360075365.db2.gz VRJZFRWGWMGQFV-MNOVXSKESA-N 1 0 277.324 1.774 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000235392426 360082561 /nfs/dbraw/zinc/08/25/61/360082561.db2.gz QBMQVABZYAJVMS-BDAKNGLRSA-N 1 0 281.287 1.604 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000237942472 360192855 /nfs/dbraw/zinc/19/28/55/360192855.db2.gz KVMLPPMKXUBWDO-NSHDSACASA-N 1 0 292.339 1.347 20 5 CDBDRO CC[NH+](CC)CCOCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000348157264 360533055 /nfs/dbraw/zinc/53/30/55/360533055.db2.gz GMACGYRQAHJEJH-UHFFFAOYSA-N 1 0 298.343 1.011 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000575114056 360805157 /nfs/dbraw/zinc/80/51/57/360805157.db2.gz IKHLOJFMDDFHBL-SLEUVZQESA-N 1 0 294.351 1.639 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000186753604 238555123 /nfs/dbraw/zinc/55/51/23/238555123.db2.gz WYCCYXQRCXKSAO-SKDRFNHKSA-N 1 0 277.324 1.631 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000036281760 361420464 /nfs/dbraw/zinc/42/04/64/361420464.db2.gz VYVMWFXGQUYDIY-UHFFFAOYSA-N 1 0 251.286 1.324 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000520576762 361543988 /nfs/dbraw/zinc/54/39/88/361543988.db2.gz UXLFWHRNGGOXGF-XYPYZODXSA-N 1 0 265.313 1.522 20 5 CDBDRO CC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000301974171 201283242 /nfs/dbraw/zinc/28/32/42/201283242.db2.gz BKLDSFABAVDOJR-UHFFFAOYSA-N 1 0 280.328 1.318 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188190113 189493470 /nfs/dbraw/zinc/49/34/70/189493470.db2.gz YLHMLXRCTUEOAV-OIBJUYFYSA-N 1 0 253.233 1.233 20 5 CDBDRO COC(=O)c1cc(NC(=O)C[NH2+]C(C)C)cc([N+](=O)[O-])c1 ZINC000581678496 364016648 /nfs/dbraw/zinc/01/66/48/364016648.db2.gz QEJDPVJEMGFGFO-UHFFFAOYSA-N 1 0 295.295 1.318 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[NH2+]C2)c1 ZINC000088147742 364257953 /nfs/dbraw/zinc/25/79/53/364257953.db2.gz AEYSSFQNWRGUSR-SNVBAGLBSA-N 1 0 263.297 1.337 20 5 CDBDRO CCc1ccc(C(=O)N2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000160363785 364340992 /nfs/dbraw/zinc/34/09/92/364340992.db2.gz RXTQQFJMWGWORH-GFCCVEGCSA-N 1 0 277.324 1.721 20 5 CDBDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000352889761 364438696 /nfs/dbraw/zinc/43/86/96/364438696.db2.gz ZBHPIBNGLKSSCH-CHWSQXEVSA-N 1 0 296.371 1.807 20 5 CDBDRO COC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293738481 364464081 /nfs/dbraw/zinc/46/40/81/364464081.db2.gz NJJSQPSGESNZMQ-GXSJLCMTSA-N 1 0 283.328 1.225 20 5 CDBDRO CC[N@H+](C)C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174881196 364587948 /nfs/dbraw/zinc/58/79/48/364587948.db2.gz DSCMKHDIYXMHPQ-GFCCVEGCSA-N 1 0 281.360 1.065 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000540964169 364588667 /nfs/dbraw/zinc/58/86/67/364588667.db2.gz XPDYCNYMXIXMCB-UHFFFAOYSA-N 1 0 294.355 1.395 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](CO)C2CCCCC2)n1 ZINC000541053361 364861548 /nfs/dbraw/zinc/86/15/48/364861548.db2.gz FINWODYCEIACQU-GFCCVEGCSA-N 1 0 282.344 1.322 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000168686835 370794144 /nfs/dbraw/zinc/79/41/44/370794144.db2.gz GWQMBOZFGSGFSW-QMMMGPOBSA-N 1 0 285.731 1.928 20 5 CDBDRO CC[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000268750125 365418990 /nfs/dbraw/zinc/41/89/90/365418990.db2.gz UPDOWMPYQLAWRO-LBPRGKRZSA-N 1 0 277.324 1.824 20 5 CDBDRO CCC[NH+]1CCC(N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000270727883 366926142 /nfs/dbraw/zinc/92/61/42/366926142.db2.gz BPUTVZQQBFKYAW-UHFFFAOYSA-N 1 0 295.343 1.264 20 5 CDBDRO CC[C@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1O ZINC000270822786 366934811 /nfs/dbraw/zinc/93/48/11/366934811.db2.gz BLBVUJNPLWMOHR-WCQYABFASA-N 1 0 280.324 1.806 20 5 CDBDRO CS[C@H]1CN(c2nccc(C)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000271117094 366969696 /nfs/dbraw/zinc/96/96/96/366969696.db2.gz RBAOQKSDXQFGSO-QWRGUYRKSA-N 1 0 296.396 1.780 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000414654306 241304274 /nfs/dbraw/zinc/30/42/74/241304274.db2.gz ISTMUYDKRAXYAR-SECBINFHSA-N 1 0 294.311 1.477 20 5 CDBDRO Cc1ccc(NC(=O)NCC2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414662276 241310072 /nfs/dbraw/zinc/31/00/72/241310072.db2.gz QVWIOMNUFZHWKE-UHFFFAOYSA-N 1 0 290.323 1.944 20 5 CDBDRO [NH3+]CCCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000269136537 367329889 /nfs/dbraw/zinc/32/98/89/367329889.db2.gz RDKYDFXJCMNFSZ-UHFFFAOYSA-N 1 0 291.229 1.692 20 5 CDBDRO C[C@H](O)[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000272565680 367775105 /nfs/dbraw/zinc/77/51/05/367775105.db2.gz MHZONLVZOYMNAV-SUHUHFCYSA-N 1 0 280.324 1.331 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](CCO)C2CCC2)c1 ZINC000275913094 193161840 /nfs/dbraw/zinc/16/18/40/193161840.db2.gz XUECCBZSBDSNKI-AWEZNQCLSA-N 1 0 280.324 1.475 20 5 CDBDRO C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000269205104 367930230 /nfs/dbraw/zinc/93/02/30/367930230.db2.gz LPBOKIRPHKCATC-MNOVXSKESA-N 1 0 292.339 1.202 20 5 CDBDRO C[C@]1(CO)CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000546811828 367951763 /nfs/dbraw/zinc/95/17/63/367951763.db2.gz LLOYNBFGZXTLMU-CQSZACIVSA-N 1 0 293.323 1.041 20 5 CDBDRO C[C@H](CCN1CCOCC1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000076898117 368069180 /nfs/dbraw/zinc/06/91/80/368069180.db2.gz OYFJRSMCMSBFJC-CYBMUJFWSA-N 1 0 293.367 1.795 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441195666 368412510 /nfs/dbraw/zinc/41/25/10/368412510.db2.gz JDKTVVXSARVPMV-VXGBXAGGSA-N 1 0 294.355 1.577 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000418618990 243284038 /nfs/dbraw/zinc/28/40/38/243284038.db2.gz OJDYQZOQMJAIEX-VIFPVBQESA-N 1 0 280.328 1.476 20 5 CDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1ccc([N+](=O)[O-])nc1 ZINC000420285253 244024963 /nfs/dbraw/zinc/02/49/63/244024963.db2.gz PIYAQOQRUSIBDY-HMKSTLMESA-N 1 0 262.313 1.918 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000420277690 244013652 /nfs/dbraw/zinc/01/36/52/244013652.db2.gz IRQPADAXGXTLTJ-WDEREUQCSA-N 1 0 264.329 1.650 20 5 CDBDRO C[NH2+]CCCN(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000420392155 244192972 /nfs/dbraw/zinc/19/29/72/244192972.db2.gz UKDWYPPCYYVDIT-UHFFFAOYSA-N 1 0 294.355 1.383 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000420405485 244205885 /nfs/dbraw/zinc/20/58/85/244205885.db2.gz SXFLSWUHLCGCKB-NWDGAFQWSA-N 1 0 279.340 1.656 20 5 CDBDRO C[C@H](CCC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000420438597 244234996 /nfs/dbraw/zinc/23/49/96/244234996.db2.gz LGZHWYHGLGDORK-SSDOTTSWSA-N 1 0 293.370 1.062 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420578044 244264121 /nfs/dbraw/zinc/26/41/21/244264121.db2.gz CEFVDJKJKBIQMA-SNVBAGLBSA-N 1 0 292.339 1.590 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000037646938 369496061 /nfs/dbraw/zinc/49/60/61/369496061.db2.gz HZCYPUXGOMUDOB-SECBINFHSA-N 1 0 297.742 1.930 20 5 CDBDRO CCCN(CCC[NH+](C)C)c1c([N+](=O)[O-])ncn1C ZINC000276214923 193245181 /nfs/dbraw/zinc/24/51/81/193245181.db2.gz LUFHNEGHCDIZEU-UHFFFAOYSA-N 1 0 269.349 1.496 20 5 CDBDRO CC(C)[C@@H]([NH3+])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766506 370079510 /nfs/dbraw/zinc/07/95/10/370079510.db2.gz PHYGLOHTLYVZOH-BXKDBHETSA-N 1 0 265.313 1.755 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000422732614 245190682 /nfs/dbraw/zinc/19/06/82/245190682.db2.gz PZYWYTGHRJGJIL-JTQLQIEISA-N 1 0 293.323 1.475 20 5 CDBDRO COc1cc(CN[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000414891318 371018691 /nfs/dbraw/zinc/01/86/91/371018691.db2.gz WPFNJSRSBSVUAM-SNVBAGLBSA-N 1 0 281.312 1.064 20 5 CDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000422744265 245203846 /nfs/dbraw/zinc/20/38/46/245203846.db2.gz JTKDJAIGRFBEPT-SECBINFHSA-N 1 0 295.364 1.799 20 5 CDBDRO Cc1sc(C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000266209852 371066631 /nfs/dbraw/zinc/06/66/31/371066631.db2.gz PVUQUVAVDYHTKB-LDYMZIIASA-N 1 0 297.380 1.987 20 5 CDBDRO C[C@H](NCCc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]1 ZINC000422797122 245266103 /nfs/dbraw/zinc/26/61/03/245266103.db2.gz ZWIMJSWQZVDBMF-WCQYABFASA-N 1 0 263.341 1.867 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000422827012 245304100 /nfs/dbraw/zinc/30/41/00/245304100.db2.gz MKMBEIBYRWKZEH-SNVBAGLBSA-N 1 0 279.340 1.417 20 5 CDBDRO Cc1c(NC(=O)CC2(C[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000422910610 245396255 /nfs/dbraw/zinc/39/62/55/245396255.db2.gz ISVBGXYOESCVAP-UHFFFAOYSA-N 1 0 263.297 1.971 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000441615290 373715363 /nfs/dbraw/zinc/71/53/63/373715363.db2.gz RLGAUAMOYCNLJN-MRVPVSSYSA-N 1 0 285.731 1.502 20 5 CDBDRO C[C@]1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000237761919 373865079 /nfs/dbraw/zinc/86/50/79/373865079.db2.gz OZEWETLPGPAFFY-HNNXBMFYSA-N 1 0 291.351 1.643 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H]([NH2+]C)C1 ZINC000091557658 374034388 /nfs/dbraw/zinc/03/43/88/374034388.db2.gz SSWRJBJFZUQXBB-SNVBAGLBSA-N 1 0 267.333 1.308 20 5 CDBDRO CCc1nn(C)c(N2CCC[C@H]([NH2+]C)C2)c1[N+](=O)[O-] ZINC000091560684 374039453 /nfs/dbraw/zinc/03/94/53/374039453.db2.gz LQPDOZDWVLFWOE-VIFPVBQESA-N 1 0 267.333 1.079 20 5 CDBDRO Cc1ccc([C@H](C)NC[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000423473655 374383770 /nfs/dbraw/zinc/38/37/70/374383770.db2.gz HKWUGOMNAGNCHL-JSGCOSHPSA-N 1 0 292.383 1.457 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000371309338 374414832 /nfs/dbraw/zinc/41/48/32/374414832.db2.gz XBBZOWNTMRFDSG-JTQLQIEISA-N 1 0 250.302 1.560 20 5 CDBDRO NC(=O)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000080014384 374437462 /nfs/dbraw/zinc/43/74/62/374437462.db2.gz BKTFLGTXVABIGZ-UHFFFAOYSA-N 1 0 291.351 1.725 20 5 CDBDRO CNC(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000012333893 374492531 /nfs/dbraw/zinc/49/25/31/374492531.db2.gz XNWSNJOOIRLLJE-UHFFFAOYSA-N 1 0 277.324 1.553 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000424008844 246287233 /nfs/dbraw/zinc/28/72/33/246287233.db2.gz IOWBHBQZIIMNGJ-UHFFFAOYSA-N 1 0 297.380 1.755 20 5 CDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CCCCC[NH2+]1 ZINC000376335810 374552181 /nfs/dbraw/zinc/55/21/81/374552181.db2.gz UFMWYKVWGUXUSS-CYBMUJFWSA-N 1 0 291.351 1.786 20 5 CDBDRO COCC[C@]1([NH2+]Cc2ccccc2[N+](=O)[O-])CCOC1 ZINC000447387167 374701791 /nfs/dbraw/zinc/70/17/91/374701791.db2.gz SZSVTIKBNWQPBP-AWEZNQCLSA-N 1 0 280.324 1.880 20 5 CDBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000275038321 374688345 /nfs/dbraw/zinc/68/83/45/374688345.db2.gz JPPKKNMXOMXBIS-SNVBAGLBSA-N 1 0 297.359 1.074 20 5 CDBDRO CC[N@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000154678574 374734287 /nfs/dbraw/zinc/73/42/87/374734287.db2.gz KMPPQHXQZAEFCP-UHFFFAOYSA-N 1 0 283.303 1.344 20 5 CDBDRO Cc1ccc(NC(=O)[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000019503878 374743700 /nfs/dbraw/zinc/74/37/00/374743700.db2.gz NKUQXLUCXKVPRF-LLVKDONJSA-N 1 0 263.297 1.984 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c1[N+](=O)[O-] ZINC000094340225 374830699 /nfs/dbraw/zinc/83/06/99/374830699.db2.gz BKJFCDLMGKNEDF-JQWIXIFHSA-N 1 0 277.324 1.713 20 5 CDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000331159492 374897249 /nfs/dbraw/zinc/89/72/49/374897249.db2.gz DWUDZMRHTKOEOW-CHWSQXEVSA-N 1 0 291.351 1.908 20 5 CDBDRO CC[N@H+](C)CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094771897 374847181 /nfs/dbraw/zinc/84/71/81/374847181.db2.gz OPRBMSNKQRKNQL-UHFFFAOYSA-N 1 0 263.301 1.835 20 5 CDBDRO CC(C)[C@H]1C[N@H+](C)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000331234594 374912498 /nfs/dbraw/zinc/91/24/98/374912498.db2.gz DBIUQOCXGZBVKV-CYBMUJFWSA-N 1 0 281.360 1.063 20 5 CDBDRO C[C@@]1(O)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000280119906 374981533 /nfs/dbraw/zinc/98/15/33/374981533.db2.gz PXVZIWXBHJHURF-GFCCVEGCSA-N 1 0 268.317 1.028 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)cs1 ZINC000280382614 374995053 /nfs/dbraw/zinc/99/50/53/374995053.db2.gz VVTYFQMVCPUXEO-QWRGUYRKSA-N 1 0 286.353 1.391 20 5 CDBDRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000125490293 375027917 /nfs/dbraw/zinc/02/79/17/375027917.db2.gz JEONXSIKLBYVDE-WNWIJWBNSA-N 1 0 276.383 1.903 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000283567418 375118148 /nfs/dbraw/zinc/11/81/48/375118148.db2.gz ZPVXNAMWGACVHJ-NSHDSACASA-N 1 0 294.355 1.511 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000132015604 375395714 /nfs/dbraw/zinc/39/57/14/375395714.db2.gz OHNWIEJQHWKZQS-JGVFFNPUSA-N 1 0 269.326 1.466 20 5 CDBDRO C[C@H]1CN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000493217320 375426652 /nfs/dbraw/zinc/42/66/52/375426652.db2.gz FXCGQXOZYKOYLR-ATPLWMGHSA-N 1 0 293.298 1.567 20 5 CDBDRO O=C(CC[N@H+]1CC[C@H](CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000304433486 375448663 /nfs/dbraw/zinc/44/86/63/375448663.db2.gz QAAUZWPCUYIWII-NSHDSACASA-N 1 0 293.323 1.238 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](CO)C1 ZINC000304436996 375449148 /nfs/dbraw/zinc/44/91/48/375449148.db2.gz TWWOFOXLLVAHSB-NSHDSACASA-N 1 0 293.323 1.156 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493406708 375451858 /nfs/dbraw/zinc/45/18/58/375451858.db2.gz ZZLWHJNLCJVEEI-ONRRBMGISA-N 1 0 295.314 1.861 20 5 CDBDRO Cc1nn(C)c(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000227497694 375543612 /nfs/dbraw/zinc/54/36/12/375543612.db2.gz URSHFVKPLVZEJE-WPRPVWTQSA-N 1 0 267.333 1.531 20 5 CDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC(O)C1 ZINC000353488721 375619619 /nfs/dbraw/zinc/61/96/19/375619619.db2.gz OUDULTNKURHEEC-UHFFFAOYSA-N 1 0 293.323 1.379 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC1(O)CCC1 ZINC000353528544 375622556 /nfs/dbraw/zinc/62/25/56/375622556.db2.gz TYEXCEGMZAEHHS-UHFFFAOYSA-N 1 0 280.324 1.950 20 5 CDBDRO Cc1ccnc(N2CC[C@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000228162170 375706568 /nfs/dbraw/zinc/70/65/68/375706568.db2.gz JPZKVQZMLZYVJN-UWVGGRQHSA-N 1 0 250.302 1.472 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000134025266 375824757 /nfs/dbraw/zinc/82/47/57/375824757.db2.gz ANDZGFJPRFXSKH-DTWKUNHWSA-N 1 0 251.286 1.825 20 5 CDBDRO C[C@H](C1CCC1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000357034813 375878376 /nfs/dbraw/zinc/87/83/76/375878376.db2.gz JHICATZRYJFNIW-ZWNOBZJWSA-N 1 0 282.344 1.273 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000261650041 190042074 /nfs/dbraw/zinc/04/20/74/190042074.db2.gz FAVWEADTFCPIPU-MRVPVSSYSA-N 1 0 283.353 1.654 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261728091 190043377 /nfs/dbraw/zinc/04/33/77/190043377.db2.gz QXMPFJZAHKLQOZ-JSGCOSHPSA-N 1 0 289.335 1.348 20 5 CDBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000262644826 190059267 /nfs/dbraw/zinc/05/92/67/190059267.db2.gz UJRAEBRCDPSPEU-SNVBAGLBSA-N 1 0 280.328 1.280 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000262844539 190063948 /nfs/dbraw/zinc/06/39/48/190063948.db2.gz RPLTYXHVGMPCIS-MFKMUULPSA-N 1 0 277.324 1.631 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000262886852 190064656 /nfs/dbraw/zinc/06/46/56/190064656.db2.gz WMCMSEOZRSIARC-GXFFZTMASA-N 1 0 277.324 1.631 20 5 CDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[N@H+](C)C1CC1 ZINC000263933319 190085992 /nfs/dbraw/zinc/08/59/92/190085992.db2.gz DNRGXDBTTUMZDW-MRVPVSSYSA-N 1 0 266.301 1.135 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435229263 248158536 /nfs/dbraw/zinc/15/85/36/248158536.db2.gz GAYHAFYKMLKIKO-SNVBAGLBSA-N 1 0 281.337 1.623 20 5 CDBDRO COc1cc(C[NH2+]C[C@](C)(O)C(C)C)c([N+](=O)[O-])cc1O ZINC000171842611 377095771 /nfs/dbraw/zinc/09/57/71/377095771.db2.gz FBVMUEPSCWGKBJ-AWEZNQCLSA-N 1 0 298.339 1.806 20 5 CDBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000264921058 190144989 /nfs/dbraw/zinc/14/49/89/190144989.db2.gz MHLYDWOFTAHHKV-GFCCVEGCSA-N 1 0 278.356 1.643 20 5 CDBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cn1 ZINC000265228341 190167441 /nfs/dbraw/zinc/16/74/41/190167441.db2.gz QDTHJQZIQWRLHQ-NSHDSACASA-N 1 0 264.329 1.768 20 5 CDBDRO C[NH+](C)CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000129567860 377926986 /nfs/dbraw/zinc/92/69/86/377926986.db2.gz LSZJPFFZSBTHBG-UHFFFAOYSA-N 1 0 277.324 1.647 20 5 CDBDRO Cc1cc(C(=O)N2CCCC[C@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000135221345 291691565 /nfs/dbraw/zinc/69/15/65/291691565.db2.gz DNOLRCLGQHGXKH-LBPRGKRZSA-N 1 0 277.324 1.857 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCCC[C@H]1O ZINC000245553342 378476919 /nfs/dbraw/zinc/47/69/19/378476919.db2.gz RGZVTZWBUOMUCL-NWDGAFQWSA-N 1 0 282.344 1.274 20 5 CDBDRO CCC[C@](C)(NCCn1cc([N+](=O)[O-])cn1)C(=O)OC ZINC000174856507 379592954 /nfs/dbraw/zinc/59/29/54/379592954.db2.gz USSRFEDWCAANSG-LBPRGKRZSA-N 1 0 284.316 1.113 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000246521529 379596634 /nfs/dbraw/zinc/59/66/34/379596634.db2.gz FTTAZMBHGYOOTK-WCQYABFASA-N 1 0 280.328 1.292 20 5 CDBDRO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CC([NH3+])C1 ZINC000449629730 250940057 /nfs/dbraw/zinc/94/00/57/250940057.db2.gz GGAZXPLTZZSRRB-UHFFFAOYSA-N 1 0 289.291 1.903 20 5 CDBDRO COC(=O)Cc1ccc(SCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000450380908 251253976 /nfs/dbraw/zinc/25/39/76/251253976.db2.gz SKJBFQTZKRWIIL-UHFFFAOYSA-N 1 0 298.364 1.964 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(O[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000094772356 285141329 /nfs/dbraw/zinc/14/13/29/285141329.db2.gz FFAORFRGDFOWNO-SECBINFHSA-N 1 0 262.269 1.602 20 5 CDBDRO O=[N+]([O-])c1ccccc1N1CCC([NH2+]CCO)CC1 ZINC000270571474 285162770 /nfs/dbraw/zinc/16/27/70/285162770.db2.gz PCZIRWGMATWMJS-UHFFFAOYSA-N 1 0 265.313 1.146 20 5 CDBDRO CN(CC[NH+](C)C)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000288357779 197058469 /nfs/dbraw/zinc/05/84/69/197058469.db2.gz KMVZKXVFJPGZBP-UHFFFAOYSA-N 1 0 291.311 1.241 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CCCCC[NH2+]1 ZINC000081000332 177752700 /nfs/dbraw/zinc/75/27/00/177752700.db2.gz OCLALVHORUSBGS-CYBMUJFWSA-N 1 0 277.324 1.743 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2CO)cc1 ZINC000049750846 390472790 /nfs/dbraw/zinc/47/27/90/390472790.db2.gz GJTMULIAJCZBBC-CYBMUJFWSA-N 1 0 250.298 1.942 20 5 CDBDRO C[NH+](C)C1CN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000286574246 390521248 /nfs/dbraw/zinc/52/12/48/390521248.db2.gz RVOYNZXLSXLAGI-UHFFFAOYSA-N 1 0 279.325 1.350 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H](C[NH3+])C1 ZINC000235316337 390866263 /nfs/dbraw/zinc/86/62/63/390866263.db2.gz ZSWLCCHMXYZILB-BDAKNGLRSA-N 1 0 267.285 1.387 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000289734756 390925290 /nfs/dbraw/zinc/92/52/90/390925290.db2.gz VNDDMBDHJCOQLJ-VXGBXAGGSA-N 1 0 263.297 1.921 20 5 CDBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1F)C1CC1 ZINC000413123488 391162542 /nfs/dbraw/zinc/16/25/42/391162542.db2.gz MIQMVSCXCGVSDH-LLVKDONJSA-N 1 0 268.292 1.881 20 5 CDBDRO CCOC1CC(O)(C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000277693153 391164584 /nfs/dbraw/zinc/16/45/84/391164584.db2.gz KRDZELWWTXEQLX-UHFFFAOYSA-N 1 0 280.324 1.614 20 5 CDBDRO Cc1cc(NC(=O)N[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000415416593 391408071 /nfs/dbraw/zinc/40/80/71/391408071.db2.gz KTXHEXNZNBQCLM-LLVKDONJSA-N 1 0 278.312 1.777 20 5 CDBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000236927511 391338752 /nfs/dbraw/zinc/33/87/52/391338752.db2.gz SXJXVRFEKAPUSE-MFKMUULPSA-N 1 0 294.355 1.496 20 5 CDBDRO Cc1cc(NC(=O)N[C@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000415432730 391431926 /nfs/dbraw/zinc/43/19/26/391431926.db2.gz LRPPBSJJRSGJRJ-MRVPVSSYSA-N 1 0 252.274 1.372 20 5 CDBDRO [NH3+][C@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000415629793 391469541 /nfs/dbraw/zinc/46/95/41/391469541.db2.gz IZTOGJSKWWBLFD-LLVKDONJSA-N 1 0 282.275 1.593 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415635647 391470302 /nfs/dbraw/zinc/47/03/02/391470302.db2.gz VKDOCOCUYJYPEE-ZDUSSCGKSA-N 1 0 296.302 1.937 20 5 CDBDRO CC(C)([NH3+])CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269190288 391566043 /nfs/dbraw/zinc/56/60/43/391566043.db2.gz HENBZTVYGJOKLA-UHFFFAOYSA-N 1 0 277.280 1.808 20 5 CDBDRO C[C@@H](CO)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293589892 391695542 /nfs/dbraw/zinc/69/55/42/391695542.db2.gz FIYCTQMUXLLGRZ-BDAKNGLRSA-N 1 0 253.302 1.456 20 5 CDBDRO CCC[C@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000296565328 391761246 /nfs/dbraw/zinc/76/12/46/391761246.db2.gz PWBGPPHFVWLSDA-ZDUSSCGKSA-N 1 0 293.367 1.878 20 5 CDBDRO CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@@H+]1C ZINC000487121692 391991464 /nfs/dbraw/zinc/99/14/64/391991464.db2.gz UMQRAISTWZOPOV-LBPRGKRZSA-N 1 0 264.329 1.766 20 5 CDBDRO CC[N@@H+]1CC[C@H](N(C)CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000357957561 391941219 /nfs/dbraw/zinc/94/12/19/391941219.db2.gz ISPDZAUAALZIMK-OLZOCXBDSA-N 1 0 295.387 1.596 20 5 CDBDRO [NH3+]CC[C@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000228393161 130867540 /nfs/dbraw/zinc/86/75/40/130867540.db2.gz HVRGXQFKISSDBH-GFCCVEGCSA-N 1 0 291.351 1.725 20 5 CDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[NH2+]C1 ZINC000237995181 131071984 /nfs/dbraw/zinc/07/19/84/131071984.db2.gz SAWKRRCXDMRBRC-NSHDSACASA-N 1 0 293.323 1.089 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(CO)CCSCC2)c1 ZINC000459739461 392502379 /nfs/dbraw/zinc/50/23/79/392502379.db2.gz YLTXSAVXJXGJOM-UHFFFAOYSA-N 1 0 282.365 1.943 20 5 CDBDRO CC(C)(NC(=O)C[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000130089847 392871209 /nfs/dbraw/zinc/87/12/09/392871209.db2.gz LXFCNGHRIOYLFW-LLVKDONJSA-N 1 0 291.351 1.946 20 5 CDBDRO C[C@H](NC(=O)NC[C@H]([NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000418228338 392879182 /nfs/dbraw/zinc/87/91/82/392879182.db2.gz DUFFDPZMDGHBFR-ZANVPECISA-N 1 0 292.339 1.692 20 5 CDBDRO NC(=O)CC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000421353410 392933490 /nfs/dbraw/zinc/93/34/90/392933490.db2.gz SPVAUZGYHGPKLY-UHFFFAOYSA-N 1 0 263.297 1.340 20 5 CDBDRO NCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423180158 392958645 /nfs/dbraw/zinc/95/86/45/392958645.db2.gz IHDPAWAZJXVGPO-AAEUAGOBSA-N 1 0 263.341 1.854 20 5 CDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])o3)[C@@H]2C1 ZINC000425050582 392985262 /nfs/dbraw/zinc/98/52/62/392985262.db2.gz RFUFMLVUPUTROY-VHSXEESVSA-N 1 0 279.296 1.354 20 5 CDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000425046829 392986327 /nfs/dbraw/zinc/98/63/27/392986327.db2.gz LNXNUMWWGPWWTK-GXTWGEPZSA-N 1 0 289.335 1.761 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]([NH3+])[C@H]1C ZINC000297479339 393019741 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CC(C)NC(=O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449058752 393129567 /nfs/dbraw/zinc/12/95/67/393129567.db2.gz LTIKFYCWCRGGNY-LLVKDONJSA-N 1 0 279.340 1.640 20 5 CDBDRO COCC1CCC([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000449192409 393131367 /nfs/dbraw/zinc/13/13/67/393131367.db2.gz LWHIWBJYTCFOOW-UHFFFAOYSA-N 1 0 282.344 1.586 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000449243587 393131787 /nfs/dbraw/zinc/13/17/87/393131787.db2.gz LWHCOSQRDKBWLE-DOMZBBRYSA-N 1 0 293.367 1.182 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCSC1 ZINC000449181048 393132026 /nfs/dbraw/zinc/13/20/26/393132026.db2.gz DQTGCKCDINWYEX-BXUZGUMPSA-N 1 0 296.392 1.983 20 5 CDBDRO CCOc1ccc(C(=O)N[C@@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000449568756 393135961 /nfs/dbraw/zinc/13/59/61/393135961.db2.gz CYFJMPFELCBVOI-JTQLQIEISA-N 1 0 295.339 1.851 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000449640278 393137519 /nfs/dbraw/zinc/13/75/19/393137519.db2.gz AXPITJJPNMZDIQ-CABZTGNLSA-N 1 0 295.314 1.981 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000449641158 393137607 /nfs/dbraw/zinc/13/76/07/393137607.db2.gz UNVUTCVYAOYSTI-DTWKUNHWSA-N 1 0 283.353 1.904 20 5 CDBDRO CN(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000493864610 393223167 /nfs/dbraw/zinc/22/31/67/393223167.db2.gz ZEORWDGIZGPWCT-PYEVWLCESA-N 1 0 293.298 1.567 20 5 CDBDRO CN(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000493864609 393223259 /nfs/dbraw/zinc/22/32/59/393223259.db2.gz ZEORWDGIZGPWCT-OGOUPESXSA-N 1 0 293.298 1.567 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCn2ccnc2C1 ZINC000494426747 393231696 /nfs/dbraw/zinc/23/16/96/393231696.db2.gz CLRQQLFHWRQHPI-LBPRGKRZSA-N 1 0 272.308 1.896 20 5 CDBDRO CC(C)(NC(=O)[C@@]1(F)CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000162242773 393204207 /nfs/dbraw/zinc/20/42/07/393204207.db2.gz APKQYQWEJJUBIL-CQSZACIVSA-N 1 0 295.314 1.648 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000037669800 393324076 /nfs/dbraw/zinc/32/40/76/393324076.db2.gz AHVYCGNKMSHIIJ-SECBINFHSA-N 1 0 281.287 1.415 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000089108775 139669603 /nfs/dbraw/zinc/66/96/03/139669603.db2.gz PYFGHBCSWQFTSN-GXSJLCMTSA-N 1 0 250.302 1.919 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000132257108 139850516 /nfs/dbraw/zinc/85/05/16/139850516.db2.gz QZOUHBRQAWFMQM-GHMZBOCLSA-N 1 0 277.324 1.713 20 5 CDBDRO COc1ccc(CN2C[C@H]3CCC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000221919434 140170890 /nfs/dbraw/zinc/17/08/90/140170890.db2.gz LZPHJBVTPJQJON-CHWSQXEVSA-N 1 0 291.351 1.787 20 5 CDBDRO Cc1c(CNC(=O)CCC[NH3+])cccc1[N+](=O)[O-] ZINC000231856880 140220351 /nfs/dbraw/zinc/22/03/51/140220351.db2.gz MJIPMCDCHXLBBD-UHFFFAOYSA-N 1 0 251.286 1.258 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000235340996 140234782 /nfs/dbraw/zinc/23/47/82/140234782.db2.gz KUJLYBHMGHUNOJ-KOLCDFICSA-N 1 0 263.297 1.322 20 5 CDBDRO COCC[NH2+]CCNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000237318366 140252514 /nfs/dbraw/zinc/25/25/14/140252514.db2.gz GIQLCJHQTUZWSG-UHFFFAOYSA-N 1 0 299.302 1.008 20 5 CDBDRO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000251887973 140314088 /nfs/dbraw/zinc/31/40/88/140314088.db2.gz WOHAONYOXBLNIH-GXFFZTMASA-N 1 0 250.298 1.798 20 5 CDBDRO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)c1 ZINC000252852245 140325996 /nfs/dbraw/zinc/32/59/96/140325996.db2.gz GCMFZXXKVSYUAM-UBHSHLNASA-N 1 0 262.309 1.798 20 5 CDBDRO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c1 ZINC000252852242 140326435 /nfs/dbraw/zinc/32/64/35/140326435.db2.gz GCMFZXXKVSYUAM-FPMFFAJLSA-N 1 0 262.309 1.798 20 5 CDBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH3+] ZINC000261581009 140355195 /nfs/dbraw/zinc/35/51/95/140355195.db2.gz QHARAPJLKFVNET-PELKAZGASA-N 1 0 253.277 1.513 20 5 CDBDRO COc1ccc(CN2CC[C@@H]([NH3+])[C@H]2C)cc1[N+](=O)[O-] ZINC000261589742 140357487 /nfs/dbraw/zinc/35/74/87/140357487.db2.gz KWYYWBJUWDWHIW-MWLCHTKSSA-N 1 0 265.313 1.525 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H](C[NH3+])C1 ZINC000261670008 140373190 /nfs/dbraw/zinc/37/31/90/140373190.db2.gz ZZAPVFOMBLNNOF-JTQLQIEISA-N 1 0 267.333 1.295 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261818657 140394135 /nfs/dbraw/zinc/39/41/35/140394135.db2.gz TWRXIJAOVUJKLU-MNOVXSKESA-N 1 0 275.308 1.276 20 5 CDBDRO C[NH+](C)C[C@@](C)(O)CNc1cccc(F)c1[N+](=O)[O-] ZINC000133018651 397606946 /nfs/dbraw/zinc/60/69/46/397606946.db2.gz ADDVURRTEDLBPJ-LBPRGKRZSA-N 1 0 271.292 1.458 20 5 CDBDRO [NH3+]C[C@H]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000135220607 397910204 /nfs/dbraw/zinc/91/02/04/397910204.db2.gz BWRLQSJLUHIHFT-SECBINFHSA-N 1 0 281.287 1.545 20 5 CDBDRO C[NH+](C)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000098093395 147131546 /nfs/dbraw/zinc/13/15/46/147131546.db2.gz IRFDOLJNVUROIS-UHFFFAOYSA-N 1 0 295.314 1.900 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]([NH3+])CC(F)F ZINC000311361625 149211676 /nfs/dbraw/zinc/21/16/76/149211676.db2.gz HOTFSGMXNBNLPK-MRVPVSSYSA-N 1 0 273.239 1.824 20 5 CDBDRO COCC[C@H](CO)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000343629273 152250354 /nfs/dbraw/zinc/25/03/54/152250354.db2.gz YBLUFCBXJZUUIB-GXTWGEPZSA-N 1 0 296.367 1.903 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1 ZINC000344008274 152387059 /nfs/dbraw/zinc/38/70/59/152387059.db2.gz AMERUHZZVRDUER-TUKIKUTGSA-N 1 0 292.335 1.676 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000349943316 154280528 /nfs/dbraw/zinc/28/05/28/154280528.db2.gz ZCGNKDDZVHUZBI-JTQLQIEISA-N 1 0 265.313 1.381 20 5 CDBDRO CSc1ccc(C(=O)N[C@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000349986619 154298374 /nfs/dbraw/zinc/29/83/74/154298374.db2.gz JJRVTDCQXIYXIV-MRVPVSSYSA-N 1 0 283.353 1.784 20 5 CDBDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000352815505 155456293 /nfs/dbraw/zinc/45/62/93/155456293.db2.gz KQOYMNRBXZUMQH-YUMQZZPRSA-N 1 0 256.331 1.169 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000375251571 160357460 /nfs/dbraw/zinc/35/74/60/160357460.db2.gz XGBJZBFMFIINMK-WCQYABFASA-N 1 0 261.281 1.533 20 5 CDBDRO O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCn2cncc2C1 ZINC000359465101 158255782 /nfs/dbraw/zinc/25/57/82/158255782.db2.gz VCRWOIRKQAVUMQ-UHFFFAOYSA-N 1 0 288.263 1.153 20 5 CDBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000359814009 158386512 /nfs/dbraw/zinc/38/65/12/158386512.db2.gz ICHXMHRZSGAFIB-JYKYSHPRSA-N 1 0 277.324 1.674 20 5 CDBDRO CCOC[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000361892631 159010872 /nfs/dbraw/zinc/01/08/72/159010872.db2.gz LTWWMJCCBBOHLL-VXGBXAGGSA-N 1 0 282.340 1.951 20 5 CDBDRO O=C(CC[N@@H+]1CCCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000363379432 159322951 /nfs/dbraw/zinc/32/29/51/159322951.db2.gz QDINLYRQWMPEKT-UHFFFAOYSA-N 1 0 293.323 1.646 20 5 CDBDRO C[C@@H]([NH2+][C@H]1COC[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC000463146592 287071369 /nfs/dbraw/zinc/07/13/69/287071369.db2.gz FQVOKDHIKIJUOG-UBHAPETDSA-N 1 0 252.270 1.005 20 5 CDBDRO C[NH+](C)CCCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000006125837 170178316 /nfs/dbraw/zinc/17/83/16/170178316.db2.gz FVULUWRJRRXPEL-UHFFFAOYSA-N 1 0 285.731 1.930 20 5 CDBDRO O=C(NC1CC[NH2+]CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000037116520 172967663 /nfs/dbraw/zinc/96/76/63/172967663.db2.gz AAZXLLIGYJHDDW-UHFFFAOYSA-N 1 0 283.715 1.730 20 5 CDBDRO CCC[C@@](C)([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668519 173610634 /nfs/dbraw/zinc/61/06/34/173610634.db2.gz FRGIGCFACLZXQB-CYBMUJFWSA-N 1 0 265.313 1.729 20 5 CDBDRO Cc1ccc(C[NH2+]CCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000038047611 174057534 /nfs/dbraw/zinc/05/75/34/174057534.db2.gz GDTSXAAODDKRQM-UHFFFAOYSA-N 1 0 286.353 1.428 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000038049162 174059890 /nfs/dbraw/zinc/05/98/90/174059890.db2.gz LQGWLCCALBETOP-VXGBXAGGSA-N 1 0 277.324 1.523 20 5 CDBDRO C[C@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])[NH+](C)C ZINC000038108659 174122250 /nfs/dbraw/zinc/12/22/50/174122250.db2.gz ZUBQWDOVGIGUJW-MRVPVSSYSA-N 1 0 269.276 1.414 20 5 CDBDRO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000040633264 174359329 /nfs/dbraw/zinc/35/93/29/174359329.db2.gz LNVRUGQRJMMUNP-SCZZXKLOSA-N 1 0 283.259 1.049 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)c2nonc21 ZINC000044417233 175173458 /nfs/dbraw/zinc/17/34/58/175173458.db2.gz BYOXLQNXHDNNQE-QMMMGPOBSA-N 1 0 289.295 1.780 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000044528152 175192734 /nfs/dbraw/zinc/19/27/34/175192734.db2.gz ZJBYAIBZVGAQJK-NSHDSACASA-N 1 0 277.324 1.714 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)NCC[NH3+])cc1[N+](=O)[O-] ZINC000417817655 226582579 /nfs/dbraw/zinc/58/25/79/226582579.db2.gz AAPWPHDCNLIFDR-SECBINFHSA-N 1 0 266.301 1.222 20 5 CDBDRO Cc1cc(NC[C@H]2C[NH2+]CCN2C)ccc1[N+](=O)[O-] ZINC000394738405 270338764 /nfs/dbraw/zinc/33/87/64/270338764.db2.gz KTZPMTSAJOLNLD-GFCCVEGCSA-N 1 0 264.329 1.219 20 5 CDBDRO CCC[N@H+](C)CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000521356225 260085627 /nfs/dbraw/zinc/08/56/27/260085627.db2.gz OPMMODWWTLULLR-UHFFFAOYSA-N 1 0 295.339 1.432 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000518939647 265237046 /nfs/dbraw/zinc/23/70/46/265237046.db2.gz PYHQLLBDYLOBIX-JTQLQIEISA-N 1 0 296.327 1.010 20 5 CDBDRO Nc1nc(NC2CC[NH+](C3CC3)CC2)ncc1[N+](=O)[O-] ZINC000076577968 424631117 /nfs/dbraw/zinc/63/11/17/424631117.db2.gz PBCVTCGUCJTWHI-UHFFFAOYSA-N 1 0 278.316 1.006 20 5 CDBDRO CC1(NC(=O)c2cccc([N+](=O)[O-])c2N)CC[NH2+]CC1 ZINC000193371255 267303243 /nfs/dbraw/zinc/30/32/43/267303243.db2.gz CWMZXKDXDAFUNB-UHFFFAOYSA-N 1 0 278.312 1.049 20 5 CDBDRO CCNC(=O)CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606384 270232340 /nfs/dbraw/zinc/23/23/40/270232340.db2.gz UNMHSWJNGQFOFK-UHFFFAOYSA-N 1 0 277.324 1.479 20 5 CDBDRO CC(C)(CC[NH3+])NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000397333794 270349038 /nfs/dbraw/zinc/34/90/38/270349038.db2.gz AJXDMSFPELGWQW-UHFFFAOYSA-N 1 0 287.341 1.001 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CC1(C[NH3+])CC1 ZINC000423065319 270381409 /nfs/dbraw/zinc/38/14/09/270381409.db2.gz UAGVMNKNRMRLKO-UHFFFAOYSA-N 1 0 293.323 1.349 20 5 CDBDRO C[NH+](C)C1CN(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413217297 273792642 /nfs/dbraw/zinc/79/26/42/273792642.db2.gz YMDIIUHGJNVPLM-UHFFFAOYSA-N 1 0 272.308 1.893 20 5 CDBDRO COc1cc(N2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000111044591 274096472 /nfs/dbraw/zinc/09/64/72/274096472.db2.gz OSZAOKRMFCSATR-UHFFFAOYSA-N 1 0 251.286 1.403 20 5 CDBDRO [NH3+]C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CCO1 ZINC000165814039 274950076 /nfs/dbraw/zinc/95/00/76/274950076.db2.gz BRJCERGKPOXDHH-SNVBAGLBSA-N 1 0 288.307 1.307 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NCC1C[NH2+]C1)CCC2 ZINC000423314472 275038079 /nfs/dbraw/zinc/03/80/79/275038079.db2.gz HJBDLYOXEXPBOC-CQSZACIVSA-N 1 0 261.325 1.781 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@@H]2CC[NH2+]C2)n1 ZINC000423204992 275040415 /nfs/dbraw/zinc/04/04/15/275040415.db2.gz BGAWBDCGGXPTHZ-IJLUTSLNSA-N 1 0 279.344 1.227 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H]1C ZINC000345997514 276240401 /nfs/dbraw/zinc/24/04/01/276240401.db2.gz VEODDGJTXOAQPY-WDEREUQCSA-N 1 0 294.355 1.488 20 5 CDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ncc([N+](=O)[O-])cn2)C1 ZINC000274023830 277158414 /nfs/dbraw/zinc/15/84/14/277158414.db2.gz WGUUPYVNKDDWCL-ZYHUDNBSSA-N 1 0 277.328 1.305 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000040602102 277276181 /nfs/dbraw/zinc/27/61/81/277276181.db2.gz FBIZXOAAKPODKJ-JTQLQIEISA-N 1 0 250.302 1.426 20 5 CDBDRO CNC(=O)c1ccc(N2CCC[C@@H]2C[NH2+]C)c([N+](=O)[O-])c1 ZINC000212662392 277285716 /nfs/dbraw/zinc/28/57/16/277285716.db2.gz CAWLKWYOVDDBIW-LLVKDONJSA-N 1 0 292.339 1.143 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1c1c(F)cccc1[N+](=O)[O-] ZINC000261572923 278491353 /nfs/dbraw/zinc/49/13/53/278491353.db2.gz MBNSTKKOXBJSFR-DTWKUNHWSA-N 1 0 253.277 1.907 20 5 CDBDRO Cc1nn(C)c(N[C@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000301513719 279201178 /nfs/dbraw/zinc/20/11/78/279201178.db2.gz FUGVOANMEZFWLJ-QWRGUYRKSA-N 1 0 281.360 1.921 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000353850412 279277341 /nfs/dbraw/zinc/27/73/41/279277341.db2.gz WTYNKVBDVAPFOW-LLVKDONJSA-N 1 0 294.355 1.387 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000108336870 279305361 /nfs/dbraw/zinc/30/53/61/279305361.db2.gz CXDGSZCGDDODLK-LBPRGKRZSA-N 1 0 291.351 1.975 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000288795362 280046266 /nfs/dbraw/zinc/04/62/66/280046266.db2.gz RFGJDWBUELNEIT-GHMZBOCLSA-N 1 0 289.335 1.872 20 5 CDBDRO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CCC[N@@H+]1C ZINC000343480507 280105910 /nfs/dbraw/zinc/10/59/10/280105910.db2.gz DLADSRKBJNDBEU-ZANVPECISA-N 1 0 295.314 1.946 20 5 CDBDRO CC(C)(C[NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000236599979 280129730 /nfs/dbraw/zinc/12/97/30/280129730.db2.gz PYWMLIZLGLHKEZ-UHFFFAOYSA-N 1 0 277.324 1.464 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090321180 280191506 /nfs/dbraw/zinc/19/15/06/280191506.db2.gz LFBYVDOCZNPTMO-DTORHVGOSA-N 1 0 279.271 1.025 20 5 CDBDRO Cc1c(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cccc1[N+](=O)[O-] ZINC000372906673 280210496 /nfs/dbraw/zinc/21/04/96/280210496.db2.gz CWYDBSGKUKRNBM-YPMHNXCESA-N 1 0 289.335 1.727 20 5 CDBDRO Cc1cc(=O)n(CC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000514789299 280848862 /nfs/dbraw/zinc/84/88/62/280848862.db2.gz KPOQAHPDNZUDNS-LLVKDONJSA-N 1 0 265.313 1.455 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[NH2+]CC1 ZINC000044375420 281016433 /nfs/dbraw/zinc/01/64/33/281016433.db2.gz LMCIVRQKDORVAP-UHFFFAOYSA-N 1 0 263.297 1.339 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](CC(C)(C)O)CC1 ZINC000096474628 281259787 /nfs/dbraw/zinc/25/97/87/281259787.db2.gz PNMJSXLJOAIPLG-UHFFFAOYSA-N 1 0 293.367 1.796 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000237440351 289777210 /nfs/dbraw/zinc/77/72/10/289777210.db2.gz MKNIZXUIJKZSAL-CABZTGNLSA-N 1 0 292.339 1.519 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000562829940 293208236 /nfs/dbraw/zinc/20/82/36/293208236.db2.gz FJLYDTIBHHFGNZ-JTQLQIEISA-N 1 0 276.340 1.738 20 5 CDBDRO C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000564728679 293402836 /nfs/dbraw/zinc/40/28/36/293402836.db2.gz OTVSJWCASVQJRA-IEBDPFPHSA-N 1 0 263.297 1.509 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCOCCO ZINC000567915576 293906899 /nfs/dbraw/zinc/90/68/99/293906899.db2.gz XORKEJUBTXFGPF-LBPRGKRZSA-N 1 0 266.297 1.181 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000569017839 294143176 /nfs/dbraw/zinc/14/31/76/294143176.db2.gz RZBMAWAXNYAFGF-NWDGAFQWSA-N 1 0 279.340 1.785 20 5 CDBDRO Cc1c(CC(=O)N(C)[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000571157867 294377591 /nfs/dbraw/zinc/37/75/91/294377591.db2.gz NTFOUSDNZCWYKY-LBPRGKRZSA-N 1 0 277.324 1.266 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@H]2F)c1 ZINC000573238208 294780062 /nfs/dbraw/zinc/78/00/62/294780062.db2.gz UHYQDXATVVOHME-BNOWGMLFSA-N 1 0 298.314 1.815 20 5 CDBDRO Cc1cn(C[C@H]2CC[C@H](C[NH3+])CC2)nc1[N+](=O)[O-] ZINC000574512529 295010589 /nfs/dbraw/zinc/01/05/89/295010589.db2.gz UNNVBYVDTVHCBM-XYPYZODXSA-N 1 0 252.318 1.865 20 5 CDBDRO [NH3+]C[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000165558782 295276199 /nfs/dbraw/zinc/27/61/99/295276199.db2.gz GLDKOCGTBZVJOK-VIFPVBQESA-N 1 0 299.714 1.048 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423599226 295362858 /nfs/dbraw/zinc/36/28/58/295362858.db2.gz WZZZVUYTWXOQPL-RKDXNWHRSA-N 1 0 278.312 1.177 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000216003869 302039436 /nfs/dbraw/zinc/03/94/36/302039436.db2.gz ZUMAOWGILPHHED-MNOVXSKESA-N 1 0 277.324 1.713 20 5 CDBDRO Cc1nn(C)c(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000376261178 302786458 /nfs/dbraw/zinc/78/64/58/302786458.db2.gz XYYGASOXOVASEC-PWSUYJOCSA-N 1 0 293.371 1.700 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@@H]12 ZINC000185200694 303471786 /nfs/dbraw/zinc/47/17/86/303471786.db2.gz MEDDOORJAUIFPP-GGZOMVNGSA-N 1 0 293.298 1.543 20 5 CDBDRO C[N@@H+]1CC[C@@H](c2nc(-c3ccc([N+](=O)[O-])o3)no2)C1 ZINC000351139311 316239789 /nfs/dbraw/zinc/23/97/89/316239789.db2.gz AGLBLFHSYZYXAT-SSDOTTSWSA-N 1 0 264.241 1.657 20 5 CDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000563930234 316399039 /nfs/dbraw/zinc/39/90/39/316399039.db2.gz LTTHJKZMSZUUHP-ZJUUUORDSA-N 1 0 293.327 1.017 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)CCC[NH3+] ZINC000382322854 323637448 /nfs/dbraw/zinc/63/74/48/323637448.db2.gz RKKYPLCUNFIHGA-SNVBAGLBSA-N 1 0 265.313 1.760 20 5 CDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000382453984 323641645 /nfs/dbraw/zinc/64/16/45/323641645.db2.gz HQVUVLWQJKDLRX-NWDGAFQWSA-N 1 0 277.324 1.381 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CCC[NH3+] ZINC000580537921 324489812 /nfs/dbraw/zinc/48/98/12/324489812.db2.gz YHCUSNQDWZPCEX-UHFFFAOYSA-N 1 0 282.300 1.416 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000583194138 325125138 /nfs/dbraw/zinc/12/51/38/325125138.db2.gz APUIREWPMNUFRO-JTQLQIEISA-N 1 0 292.339 1.257 20 5 CDBDRO [NH3+]C[C@@H](Cn1nccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000583320137 325151301 /nfs/dbraw/zinc/15/13/01/325151301.db2.gz DGGNCFVVVSPFKI-JTQLQIEISA-N 1 0 264.260 1.673 20 5 CDBDRO CC1(C)CN(C(=O)c2csc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000175421969 482358823 /nfs/dbraw/zinc/35/88/23/482358823.db2.gz OHBMQHYSVFYHHF-UHFFFAOYSA-N 1 0 269.326 1.480 20 5 CDBDRO CC(C)(C)c1cnc(-n2ccnc2C(N)=[NH2+])c([N+](=O)[O-])c1 ZINC001168412047 1161017960 /nfs/dbraw/zinc/01/79/60/1161017960.db2.gz RHAXKYJWFNEGPF-UHFFFAOYSA-N 1 0 288.311 1.757 20 5 CDBDRO O=C(NC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)C1CC1 ZINC001169030153 1161998340 /nfs/dbraw/zinc/99/83/40/1161998340.db2.gz XAEOCDTWTVEIIW-BXUZGUMPSA-N 1 0 295.383 1.422 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@H](C)[NH2+]1 ZINC000153732940 534404220 /nfs/dbraw/zinc/40/42/20/534404220.db2.gz MDFSFLYUHHPYQD-OCAPTIKFSA-N 1 0 296.302 1.139 20 5 CDBDRO CC[NH2+]CC1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000226782879 519915345 /nfs/dbraw/zinc/91/53/45/519915345.db2.gz JPHMYEBCUGKNIL-UHFFFAOYSA-N 1 0 270.358 1.877 20 5 CDBDRO CNc1c(C(=O)N[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000161517427 522540737 /nfs/dbraw/zinc/54/07/37/522540737.db2.gz KUFZLOFMGAURKR-SECBINFHSA-N 1 0 280.328 1.316 20 5 CDBDRO CC[C@@H]([NH2+][C@H]1CCC(=O)NC1)c1cccc([N+](=O)[O-])c1 ZINC000111018592 522945672 /nfs/dbraw/zinc/94/56/72/522945672.db2.gz IGWSPPRNDWICLV-WCQYABFASA-N 1 0 277.324 1.914 20 5 CDBDRO C[NH+](C)C(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000050710823 524032941 /nfs/dbraw/zinc/03/29/41/524032941.db2.gz PATCKXZHXRPTQX-UHFFFAOYSA-N 1 0 280.328 1.247 20 5 CDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000050162882 525232456 /nfs/dbraw/zinc/23/24/56/525232456.db2.gz KKTYRDXSGMNGGZ-CMPLNLGQSA-N 1 0 277.324 1.713 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCOCC2)cc1 ZINC000363377453 527347523 /nfs/dbraw/zinc/34/75/23/527347523.db2.gz BTXXLUACSQUSCZ-UHFFFAOYSA-N 1 0 250.298 1.860 20 5 CDBDRO O=[N+]([O-])c1cnc(NCC[NH+]2CCCCC2)nc1 ZINC000049575246 527409288 /nfs/dbraw/zinc/40/92/88/527409288.db2.gz IOBWKZWNNRPBFW-UHFFFAOYSA-N 1 0 251.290 1.283 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339428600 527490447 /nfs/dbraw/zinc/49/04/47/527490447.db2.gz PUPHXSBUOIMRMM-AWEZNQCLSA-N 1 0 293.371 1.246 20 5 CDBDRO CC[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000150862097 535813462 /nfs/dbraw/zinc/81/34/62/535813462.db2.gz HUOPQHGEJFQHDE-GFCCVEGCSA-N 1 0 294.355 1.191 20 5 CDBDRO CCc1nn(C)c(N[C@@H](C)[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000091559558 536182011 /nfs/dbraw/zinc/18/20/11/536182011.db2.gz DNUNISHVIHPHLC-UWVGGRQHSA-N 1 0 281.360 1.691 20 5 CDBDRO CC[C@@H]([NH3+])c1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000313699240 545541583 /nfs/dbraw/zinc/54/15/83/545541583.db2.gz SCFCBDSOOGBTHD-LLVKDONJSA-N 1 0 279.275 1.784 20 5 CDBDRO C[NH+](C)C1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000271743466 574921644 /nfs/dbraw/zinc/92/16/44/574921644.db2.gz RNRKEYDRVVMBQL-UHFFFAOYSA-N 1 0 290.323 1.230 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cc[nH]n2)cc1 ZINC000731678993 575059400 /nfs/dbraw/zinc/05/94/00/575059400.db2.gz VPRVWGWVJPXAKX-LBPRGKRZSA-N 1 0 262.269 1.141 20 5 CDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000744348555 576676672 /nfs/dbraw/zinc/67/66/72/576676672.db2.gz UWFKTNNHGXCZPN-SECBINFHSA-N 1 0 283.353 1.870 20 5 CDBDRO O=C(CC[NH2+][C@H](CO)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000763067676 576707738 /nfs/dbraw/zinc/70/77/38/576707738.db2.gz JUURMCRGNIIVMU-GFCCVEGCSA-N 1 0 293.323 1.284 20 5 CDBDRO Nc1ccc(C(=O)OCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000747684229 576880376 /nfs/dbraw/zinc/88/03/76/576880376.db2.gz YGICRYYHCBYDSZ-UHFFFAOYSA-N 1 0 293.323 1.820 20 5 CDBDRO CC[N@@H+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])[C@H](C)C1 ZINC000804795442 617333096 /nfs/dbraw/zinc/33/30/96/617333096.db2.gz RNQGETANAUIJOD-LLVKDONJSA-N 1 0 289.339 1.773 20 5 CDBDRO COc1c(O)ccc(C[NH2+]C[C@@]2(C)CCCO2)c1[N+](=O)[O-] ZINC000893148204 617411193 /nfs/dbraw/zinc/41/11/93/617411193.db2.gz MSPUOPVODNRAFR-CQSZACIVSA-N 1 0 296.323 1.968 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000934011516 617840553 /nfs/dbraw/zinc/84/05/53/617840553.db2.gz MTCAROMIPYNQNL-UONOGXRCSA-N 1 0 291.351 1.718 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]1CO ZINC000934021500 617861018 /nfs/dbraw/zinc/86/10/18/617861018.db2.gz OHYWEGNWCNSOOG-GFCCVEGCSA-N 1 0 293.323 1.298 20 5 CDBDRO C[C@@H](COC(=O)C12CCC[NH+](CCC1)C2)[N+](=O)[O-] ZINC000893045589 618093630 /nfs/dbraw/zinc/09/36/30/618093630.db2.gz YHIVNDYFGORKPY-JTQLQIEISA-N 1 0 256.302 1.071 20 5 CDBDRO C[N@@H+]1C[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893936084 618196078 /nfs/dbraw/zinc/19/60/78/618196078.db2.gz VEFSWYLUQUCHCZ-TVQRCGJNSA-N 1 0 292.295 1.643 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000843057821 618691971 /nfs/dbraw/zinc/69/19/71/618691971.db2.gz LWAQXPJMTPWPRJ-NOZJJQNGSA-N 1 0 299.758 1.796 20 5 CDBDRO CON(C)C(=O)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000895042664 619219721 /nfs/dbraw/zinc/21/97/21/619219721.db2.gz JSGQSEKRYTUQJB-YRNVUSSQSA-N 1 0 293.323 1.608 20 5 CDBDRO C[NH+](C)CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000929163150 621536199 /nfs/dbraw/zinc/53/61/99/621536199.db2.gz YLCGTXOWSKVRSR-CHWSQXEVSA-N 1 0 277.324 1.376 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000904221474 626223614 /nfs/dbraw/zinc/22/36/14/626223614.db2.gz SSEHGCYWBWDUJB-ZDUSSCGKSA-N 1 0 263.341 1.867 20 5 CDBDRO O=[N+]([O-])CCNCc1ccccc1C[NH+]1CCCC1 ZINC000905027273 626390911 /nfs/dbraw/zinc/39/09/11/626390911.db2.gz QFXJYCIDUNEMLY-UHFFFAOYSA-N 1 0 263.341 1.649 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000905140552 626653520 /nfs/dbraw/zinc/65/35/20/626653520.db2.gz WMRIOODVBXQVAN-UHFFFAOYSA-N 1 0 278.287 1.420 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000905278526 626733229 /nfs/dbraw/zinc/73/32/29/626733229.db2.gz IFGQNFUNOBWESW-VXGBXAGGSA-N 1 0 251.286 1.168 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)c1cc2ccccc2s1 ZINC000905352430 626764613 /nfs/dbraw/zinc/76/46/13/626764613.db2.gz ZHHGDBNIOMZMAR-JTQLQIEISA-N 1 0 266.322 1.801 20 5 CDBDRO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CC[N+](=O)[O-] ZINC000929823655 631453755 /nfs/dbraw/zinc/45/37/55/631453755.db2.gz SUXQLBQQEIIVQS-ZDUSSCGKSA-N 1 0 263.341 1.994 20 5 CDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000920599254 632810135 /nfs/dbraw/zinc/81/01/35/632810135.db2.gz OQYTWYZSSFRBCM-GFCCVEGCSA-N 1 0 292.339 1.141 20 5 CDBDRO CCN(CCOC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000921046663 632872556 /nfs/dbraw/zinc/87/25/56/632872556.db2.gz OYPIORGYEQXCFL-UHFFFAOYSA-N 1 0 256.306 1.334 20 5 CDBDRO COc1nc(SC)nc(NCC2C[NH+](C)C2)c1[N+](=O)[O-] ZINC001170252040 1162325577 /nfs/dbraw/zinc/32/55/77/1162325577.db2.gz GEEJSGHWSRBRBR-UHFFFAOYSA-N 1 0 299.356 1.089 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCO2)c([N+](=O)[O-])c1 ZINC001170307476 1162339935 /nfs/dbraw/zinc/33/99/35/1162339935.db2.gz GENYZHGDPNEGAL-GXFFZTMASA-N 1 0 280.324 1.913 20 5 CDBDRO COc1cc(N2CCC[C@H]([NH3+])[C@H]2C)ncc1[N+](=O)[O-] ZINC001157741432 1162373840 /nfs/dbraw/zinc/37/38/40/1162373840.db2.gz LAAWOEHDEJRWLS-BDAKNGLRSA-N 1 0 266.301 1.314 20 5 CDBDRO C[C@H]1[C@H]([NH3+])CCCN1c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001157744773 1162385614 /nfs/dbraw/zinc/38/56/14/1162385614.db2.gz XXSSNRZYAUYYKX-IONNQARKSA-N 1 0 270.720 1.959 20 5 CDBDRO [NH3+]Cc1ccc2ncn(-c3ncc(F)cc3[N+](=O)[O-])c2c1 ZINC001158008020 1162674361 /nfs/dbraw/zinc/67/43/61/1162674361.db2.gz ZFFNBQUKBIXXQY-UHFFFAOYSA-N 1 0 287.254 1.927 20 5 CDBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168967711 1161996110 /nfs/dbraw/zinc/99/61/10/1161996110.db2.gz SOOKXWJDCYSGEJ-WCQYABFASA-N 1 0 277.324 1.321 20 5 CDBDRO C[C@@H]([NH2+]CCN1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788500344 1162056364 /nfs/dbraw/zinc/05/63/64/1162056364.db2.gz ASNDRVUTEQJRRU-LLVKDONJSA-N 1 0 278.356 1.923 20 5 CDBDRO C[C@@]1(C[NH3+])CCCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001158676273 1163404152 /nfs/dbraw/zinc/40/41/52/1163404152.db2.gz ZTCXBCIXUFTBBN-LBPRGKRZSA-N 1 0 295.299 1.463 20 5 CDBDRO Cc1nc(N[C@@H]2COCCC23C[NH2+]C3)ccc1[N+](=O)[O-] ZINC001155463137 1167180225 /nfs/dbraw/zinc/18/02/25/1167180225.db2.gz VYQBEXIPLYIBAA-LLVKDONJSA-N 1 0 278.312 1.089 20 5 CDBDRO COc1ccc(NC(=O)N2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001574034613 1170868798 /nfs/dbraw/zinc/86/87/98/1170868798.db2.gz BLURBPSILOZAQX-UHFFFAOYSA-N 1 0 294.311 1.558 20 5 CDBDRO C[C@@H](NC(=O)[C@H]1CCCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001574098771 1170879910 /nfs/dbraw/zinc/87/99/10/1170879910.db2.gz HPMUABDRUMOOOZ-ZYHUDNBSSA-N 1 0 277.324 1.914 20 5 CDBDRO C[NH2+]C[C@@H](O)CN(C)c1c2ccccc2ncc1[N+](=O)[O-] ZINC001578653576 1171974135 /nfs/dbraw/zinc/97/41/35/1171974135.db2.gz ZXIFHLVEEJBEGA-SNVBAGLBSA-N 1 0 290.323 1.160 20 5 CDBDRO Cc1ccc(CNC(=O)N2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC001579695350 1172242502 /nfs/dbraw/zinc/24/25/02/1172242502.db2.gz CGYPQFMYCFWWIH-LBPRGKRZSA-N 1 0 292.339 1.393 20 5 CDBDRO [NH3+]C[C@H]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001580264186 1172389199 /nfs/dbraw/zinc/38/91/99/1172389199.db2.gz HKIOAGRUROXAGM-SNVBAGLBSA-N 1 0 297.742 1.598 20 5 CDBDRO [NH3+][C@H]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001580413107 1172427936 /nfs/dbraw/zinc/42/79/36/1172427936.db2.gz OTJLXPJWRIKLKC-VIFPVBQESA-N 1 0 289.295 1.178 20 5 CDBDRO O=C(N[C@H]1CC[NH2+]C[C@@H]1F)c1cc([N+](=O)[O-])ccc1F ZINC001580616875 1172485751 /nfs/dbraw/zinc/48/57/51/1172485751.db2.gz NISDFBLHEYJMIM-QWRGUYRKSA-N 1 0 285.250 1.164 20 5 CDBDRO O=C(N[C@H]1C[NH2+]CC12CC2)c1cc([N+](=O)[O-])ccc1Cl ZINC001580622078 1172488821 /nfs/dbraw/zinc/48/88/21/1172488821.db2.gz GIBIGWBYCVWPBT-NSHDSACASA-N 1 0 295.726 1.730 20 5 CDBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC001593483044 1174084484 /nfs/dbraw/zinc/08/44/84/1174084484.db2.gz SHGGNOQULJYJAT-QPUJVOFHSA-N 1 0 286.295 1.369 20 5 CDBDRO CN(c1ncnc2sc([N+](=O)[O-])cc21)C1C[NH2+]C1 ZINC000261570899 1181668629 /nfs/dbraw/zinc/66/86/29/1181668629.db2.gz KRZPODHKACBVGL-UHFFFAOYSA-N 1 0 265.298 1.008 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000189322784 1184470075 /nfs/dbraw/zinc/47/00/75/1184470075.db2.gz JNQBFZBQDOEJHU-NXEZZACHSA-N 1 0 299.352 1.014 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001165040596 721892551 /nfs/dbraw/zinc/89/25/51/721892551.db2.gz ZCZVNADLCLZVFL-VIFPVBQESA-N 1 0 265.317 1.102 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C/C=C\CO ZINC000866389832 730421341 /nfs/dbraw/zinc/42/13/41/730421341.db2.gz WOVLUWQOJYMEPF-ZMWSMAPVSA-N 1 0 268.288 1.803 20 5 CDBDRO Cc1cnc(N2C[C@@H](C)[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000251081886 730425049 /nfs/dbraw/zinc/42/50/49/730425049.db2.gz PXWNVBALKCLXOK-NXEZZACHSA-N 1 0 250.302 1.485 20 5 CDBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1(C)COC1 ZINC000859570638 730528287 /nfs/dbraw/zinc/52/82/87/730528287.db2.gz GLDRYKLGCGSUOQ-CYBMUJFWSA-N 1 0 280.324 1.597 20 5 CDBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839572763 730626811 /nfs/dbraw/zinc/62/68/11/730626811.db2.gz VNJZFUHEBHRHOZ-OBPIAQAESA-N 1 0 283.372 1.134 20 5 CDBDRO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000840119343 730731498 /nfs/dbraw/zinc/73/14/98/730731498.db2.gz HGDNQVCFLLCWEM-XQQFMLRXSA-N 1 0 280.328 1.374 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818017395 730741087 /nfs/dbraw/zinc/74/10/87/730741087.db2.gz FMPRUOKJLALFII-LBPRGKRZSA-N 1 0 281.337 1.624 20 5 CDBDRO CC[C@H]1COCCN1CCNc1ncc([N+](=O)[O-])cc1C ZINC000872771081 730745294 /nfs/dbraw/zinc/74/52/94/730745294.db2.gz FFMMTXRXQXLPBM-LBPRGKRZSA-N 1 0 294.355 1.821 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925405604 730878872 /nfs/dbraw/zinc/87/88/72/730878872.db2.gz YFRGUWDNRDZZEH-LBPRGKRZSA-N 1 0 292.339 1.440 20 5 CDBDRO COCC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776583110 730919580 /nfs/dbraw/zinc/91/95/80/730919580.db2.gz WRYWPCCROXUSCS-HNNXBMFYSA-N 1 0 294.351 1.987 20 5 CDBDRO CN1CC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000712579982 730941786 /nfs/dbraw/zinc/94/17/86/730941786.db2.gz MCJKKKNODNJHSJ-NSHDSACASA-N 1 0 253.277 1.528 20 5 CDBDRO CC[N@@H+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776276883 731126662 /nfs/dbraw/zinc/12/66/62/731126662.db2.gz KZPSQSBGVMEPHZ-DOMZBBRYSA-N 1 0 293.367 1.654 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000825196377 731176510 /nfs/dbraw/zinc/17/65/10/731176510.db2.gz FOVFRHHYELDIQE-GXSJLCMTSA-N 1 0 295.314 1.900 20 5 CDBDRO CC(C)CNC(=[NH2+])NCc1cccc([N+](=O)[O-])c1 ZINC000052926120 731209411 /nfs/dbraw/zinc/20/94/11/731209411.db2.gz BZRXAZYXOMMLMC-UHFFFAOYSA-N 1 0 250.302 1.865 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCNC(=O)C1CC1 ZINC000873007690 731298297 /nfs/dbraw/zinc/29/82/97/731298297.db2.gz AIYCTMZELOZHBO-UHFFFAOYSA-N 1 0 291.351 1.827 20 5 CDBDRO C[N@@H+]1CCC[C@@]2(CCN(Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000840087491 731331937 /nfs/dbraw/zinc/33/19/37/731331937.db2.gz SZOSFUIZPVXYIC-CYBMUJFWSA-N 1 0 279.344 1.167 20 5 CDBDRO CC(C)(C(=O)NC[C@@H]([NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000261969678 731360487 /nfs/dbraw/zinc/36/04/87/731360487.db2.gz UBWODZZYOUJVRX-CYBMUJFWSA-N 1 0 291.351 1.726 20 5 CDBDRO CC(C)([NH3+])C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841030884 731393878 /nfs/dbraw/zinc/39/38/78/731393878.db2.gz MRUSNVOTKBNUON-UHFFFAOYSA-N 1 0 292.383 1.891 20 5 CDBDRO C[C@H](NC(=O)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000048544067 731451908 /nfs/dbraw/zinc/45/19/08/731451908.db2.gz ZNGACBLFNJRMDF-NSHDSACASA-N 1 0 277.324 1.868 20 5 CDBDRO CC[C@@H]([NH3+])C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000843495258 731455725 /nfs/dbraw/zinc/45/57/25/731455725.db2.gz PYLKNJMJQBGBKC-SNVBAGLBSA-N 1 0 263.297 1.530 20 5 CDBDRO Cn1ncc(CCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000877551441 731459791 /nfs/dbraw/zinc/45/97/91/731459791.db2.gz ZUQDLZLNSVKVDS-UHFFFAOYSA-N 1 0 289.339 1.488 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000087383996 731465009 /nfs/dbraw/zinc/46/50/09/731465009.db2.gz FALZSZVZOUFGMC-LLVKDONJSA-N 1 0 264.285 1.454 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(CO)CC2)cc1 ZINC000776579348 731486190 /nfs/dbraw/zinc/48/61/90/731486190.db2.gz NSSOIDMRZIXWKD-AWEZNQCLSA-N 1 0 280.324 1.333 20 5 CDBDRO COc1ccc(OCC[NH2+][C@H]2COC[C@H]2C)c([N+](=O)[O-])c1 ZINC000932495696 731528610 /nfs/dbraw/zinc/52/86/10/731528610.db2.gz FUJQONVBINDSRF-PWSUYJOCSA-N 1 0 296.323 1.607 20 5 CDBDRO CC1(C)C[NH2+]C[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000884100287 731601293 /nfs/dbraw/zinc/60/12/93/731601293.db2.gz PHOLCGVUYRWULC-ZDUSSCGKSA-N 1 0 291.351 1.499 20 5 CDBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000853123938 731642368 /nfs/dbraw/zinc/64/23/68/731642368.db2.gz AINUFYNVVIDUMV-GWCFXTLKSA-N 1 0 290.323 1.713 20 5 CDBDRO C[NH2+]CCN(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000070304302 731671410 /nfs/dbraw/zinc/67/14/10/731671410.db2.gz PINGPBKSVMXIPF-UHFFFAOYSA-N 1 0 257.721 1.899 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)cs1 ZINC000886228736 731688928 /nfs/dbraw/zinc/68/89/28/731688928.db2.gz FKWZLMJJYVOXCB-MNOVXSKESA-N 1 0 286.353 1.676 20 5 CDBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877169038 731689738 /nfs/dbraw/zinc/68/97/38/731689738.db2.gz DNXJGSNTYZXWLT-AOOOYVTPSA-N 1 0 295.726 1.825 20 5 CDBDRO Cn1cc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000105909045 731821773 /nfs/dbraw/zinc/82/17/73/731821773.db2.gz DXCZTXJDAHZHGD-CYBMUJFWSA-N 1 0 276.296 1.152 20 5 CDBDRO CCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c2nonc21 ZINC000786818659 731888983 /nfs/dbraw/zinc/88/89/83/731888983.db2.gz LFHWDHIUBMLTTJ-UHFFFAOYSA-N 1 0 293.327 1.909 20 5 CDBDRO CCC[C@@H](CCO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000716971026 731896332 /nfs/dbraw/zinc/89/63/32/731896332.db2.gz MTYWOHONIVLSLT-JSGCOSHPSA-N 1 0 282.340 1.769 20 5 CDBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000107571275 731941539 /nfs/dbraw/zinc/94/15/39/731941539.db2.gz URGNPGPYUPCIBJ-IUCAKERBSA-N 1 0 267.716 1.904 20 5 CDBDRO CC(C)(CCc1noc(CC[C@H]2CCC[NH2+]C2)n1)[N+](=O)[O-] ZINC000857253990 732009736 /nfs/dbraw/zinc/00/97/36/732009736.db2.gz VLEYQOBZUSOFMO-LLVKDONJSA-N 1 0 296.371 1.990 20 5 CDBDRO COc1cc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)ccc1[N+](=O)[O-] ZINC000261865213 732028898 /nfs/dbraw/zinc/02/88/98/732028898.db2.gz YFBFFLASRZCZDG-WCBMZHEXSA-N 1 0 279.296 1.165 20 5 CDBDRO C[NH+]1CCC(Cc2nc(CCC(C)(C)[N+](=O)[O-])no2)CC1 ZINC000812815155 732042884 /nfs/dbraw/zinc/04/28/84/732042884.db2.gz GLTKIDRMBPGNDW-UHFFFAOYSA-N 1 0 296.371 1.942 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000931040155 732094974 /nfs/dbraw/zinc/09/49/74/732094974.db2.gz ASWXDTIFBLROJG-IUODEOHRSA-N 1 0 293.367 1.998 20 5 CDBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000825981521 732146000 /nfs/dbraw/zinc/14/60/00/732146000.db2.gz VENUPGWSTDQUQY-GFCCVEGCSA-N 1 0 285.388 1.621 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1cccnc1[N+](=O)[O-] ZINC000886827556 732330022 /nfs/dbraw/zinc/33/00/22/732330022.db2.gz NHOBNOPIOMFEPR-JQWIXIFHSA-N 1 0 264.329 1.692 20 5 CDBDRO CN(CC(=O)OCC(C)(C)[N+](=O)[O-])[C@@H]1CCSC1 ZINC000851127166 732357598 /nfs/dbraw/zinc/35/75/98/732357598.db2.gz KYQJWEXZYUKAIS-SECBINFHSA-N 1 0 276.358 1.022 20 5 CDBDRO Cc1cc(C(=O)N(C)CC(C)(C)[NH3+])c(N)c([N+](=O)[O-])c1 ZINC000852841557 732394608 /nfs/dbraw/zinc/39/46/08/732394608.db2.gz MGEJGGLBUVRSST-UHFFFAOYSA-N 1 0 280.328 1.295 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000886841435 732540848 /nfs/dbraw/zinc/54/08/48/732540848.db2.gz LIKLPVPFIFFFGS-NWDGAFQWSA-N 1 0 262.313 1.316 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](C)[NH3+])c1C ZINC000884296292 732752672 /nfs/dbraw/zinc/75/26/72/732752672.db2.gz TYCROGSCJVZTIB-VHSXEESVSA-N 1 0 265.313 1.677 20 5 CDBDRO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000700625775 732884740 /nfs/dbraw/zinc/88/47/40/732884740.db2.gz FCDBTOGNIVBEPS-AOOOYVTPSA-N 1 0 295.726 1.540 20 5 CDBDRO [NH3+][C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000236300470 732916572 /nfs/dbraw/zinc/91/65/72/732916572.db2.gz FSWOETOENZXBQY-SSDOTTSWSA-N 1 0 256.693 1.571 20 5 CDBDRO CC[C@@]1(O)CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000879313727 732931893 /nfs/dbraw/zinc/93/18/93/732931893.db2.gz OFPWFLNMXHILJE-LSDHHAIUSA-N 1 0 294.351 1.865 20 5 CDBDRO CCn1cnnc1CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873054221 732939995 /nfs/dbraw/zinc/93/99/95/732939995.db2.gz ODMDJNKUBDPDBM-UHFFFAOYSA-N 1 0 289.339 1.847 20 5 CDBDRO CC1(C)CNC(=O)[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000931663284 732942303 /nfs/dbraw/zinc/94/23/03/732942303.db2.gz JOUKEHQQWWAHJN-GFCCVEGCSA-N 1 0 293.323 1.088 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)OCCC[NH+](C)C ZINC000844260805 732975001 /nfs/dbraw/zinc/97/50/01/732975001.db2.gz CWWDYEPEUHZPRX-UHFFFAOYSA-N 1 0 255.274 1.042 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc(C[C@@H]3CC[NH2+]C3)n2)o1 ZINC000823270990 732978995 /nfs/dbraw/zinc/97/89/95/732978995.db2.gz ZZYBEDYLGWACSY-ZETCQYMHSA-N 1 0 264.241 1.390 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(F)c1 ZINC000923519041 733115595 /nfs/dbraw/zinc/11/55/95/733115595.db2.gz OECAPOIGJQNQKW-CMPLNLGQSA-N 1 0 279.315 1.775 20 5 CDBDRO Cc1c(C[NH2+]CCC2(O)CCOCC2)cccc1[N+](=O)[O-] ZINC000873126466 1165512632 /nfs/dbraw/zinc/51/26/32/1165512632.db2.gz SJHGNXNRDZWKDT-UHFFFAOYSA-N 1 0 294.351 1.924 20 5 CDBDRO Cc1c(C[NH2+]C2([C@@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000877637436 1166070293 /nfs/dbraw/zinc/07/02/93/1166070293.db2.gz HVFXZHULTYPKER-SNVBAGLBSA-N 1 0 250.298 1.906 20 5 CDBDRO COC(=O)[C@@H](Nc1ncc([N+](=O)[O-])c(C)c1C)C(C)(C)[NH3+] ZINC001155368444 1167143447 /nfs/dbraw/zinc/14/34/47/1167143447.db2.gz KGCJEKFBWSNJNH-SNVBAGLBSA-N 1 0 296.327 1.297 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC(=O)NC1 ZINC001173216408 912302074 /nfs/dbraw/zinc/30/20/74/912302074.db2.gz JBJROSJEDOGUJN-YPMHNXCESA-N 1 0 291.351 1.642 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](F)C[C@H]1CO ZINC001173229964 912324456 /nfs/dbraw/zinc/32/44/56/912324456.db2.gz WNLIKMRBEOZUIN-SUHUHFCYSA-N 1 0 282.315 1.931 20 5 CDBDRO Cc1ccc(C(=O)N(C)CC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000094022100 912329790 /nfs/dbraw/zinc/32/97/90/912329790.db2.gz NXXSHAZUGXUEPT-UHFFFAOYSA-N 1 0 291.351 1.975 20 5 CDBDRO Cc1cccc(C(=O)NC2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC000051692628 896860651 /nfs/dbraw/zinc/86/06/51/896860651.db2.gz RNWOOGZNEWBWIZ-UHFFFAOYSA-N 1 0 277.324 1.903 20 5 CDBDRO [NH3+]Cc1cccn1-c1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001167586411 896920350 /nfs/dbraw/zinc/92/03/50/896920350.db2.gz OJLWEWRTHZXUGU-UHFFFAOYSA-N 1 0 287.254 1.927 20 5 CDBDRO CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001177313774 914590319 /nfs/dbraw/zinc/59/03/19/914590319.db2.gz OUFJRGSHYYSHKZ-ZIAGYGMSSA-N 1 0 297.399 1.670 20 5 CDBDRO O=C(NCC1C[NH+](CC2=CCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031661987 914874906 /nfs/dbraw/zinc/87/49/06/914874906.db2.gz QBOOFEKIZVURQY-ZIAGYGMSSA-N 1 0 293.367 1.200 20 5 CDBDRO COc1cccc([N+](=O)[O-])c1O[C@@H](C)C[NH+](C)C ZINC001227700960 906430435 /nfs/dbraw/zinc/43/04/35/906430435.db2.gz JJAWDGRQIFTYDN-VIFPVBQESA-N 1 0 254.286 1.932 20 5 CDBDRO CCCCCNC(=O)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929262325 921268684 /nfs/dbraw/zinc/26/86/84/921268684.db2.gz KJRXVIDZMYSGQV-UHFFFAOYSA-N 1 0 271.361 1.282 20 5 CDBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1nccnc1[N+](=O)[O-] ZINC001171389550 909566539 /nfs/dbraw/zinc/56/65/39/909566539.db2.gz NFMRCNDTHOTPNS-SECBINFHSA-N 1 0 287.279 1.243 20 5 CDBDRO O=C1NCC[C@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895752 912050659 /nfs/dbraw/zinc/05/06/59/912050659.db2.gz IQJRWTPIEKJEDE-GXTWGEPZSA-N 1 0 289.335 1.320 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@@H](O)C1)CC2 ZINC001172910388 912104460 /nfs/dbraw/zinc/10/44/60/912104460.db2.gz YQMXSOOGRIQQSA-DZGCQCFKSA-N 1 0 276.336 1.909 20 5 CDBDRO CC(=O)Nc1ccc(-n2ccnc2C(N)=[NH2+])cc1[N+](=O)[O-] ZINC001168417891 912172747 /nfs/dbraw/zinc/17/27/47/912172747.db2.gz PMBOILFNOUXEOB-UHFFFAOYSA-N 1 0 288.267 1.023 20 5 CDBDRO O=C(/C=C/C1CC1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001125237288 936358342 /nfs/dbraw/zinc/35/83/42/936358342.db2.gz RBWSSECUNSXBLS-VMPITWQZSA-N 1 0 289.335 1.767 20 5 CDBDRO CCC1(Nc2ccc([N+](=O)[O-])c3c2CNC3=O)C[NH2+]C1 ZINC001168587272 919328500 /nfs/dbraw/zinc/32/85/00/919328500.db2.gz PYLAXSNAUNEBEJ-UHFFFAOYSA-N 1 0 276.296 1.002 20 5 CDBDRO COC(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000689571631 936770183 /nfs/dbraw/zinc/77/01/83/936770183.db2.gz QDVOBMXFBVLMQX-UHFFFAOYSA-N 1 0 281.312 1.691 20 5 CDBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC000839704039 936920657 /nfs/dbraw/zinc/92/06/57/936920657.db2.gz SFAXLZHJUUYROR-CHWSQXEVSA-N 1 0 295.339 1.143 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001164061809 924540582 /nfs/dbraw/zinc/54/05/82/924540582.db2.gz HMAHMLCDGZGRNS-MWLCHTKSSA-N 1 0 264.329 1.862 20 5 CDBDRO COCC(=O)NCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001230940667 925588706 /nfs/dbraw/zinc/58/87/06/925588706.db2.gz XTTRSBFBNUSGIN-UHFFFAOYSA-N 1 0 295.339 1.179 20 5 CDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1cc(Cl)cc([N+](=O)[O-])n1 ZINC001154748739 925882363 /nfs/dbraw/zinc/88/23/63/925882363.db2.gz MIVLIPVTUITMEN-VIFPVBQESA-N 1 0 299.762 1.349 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000843380163 937144458 /nfs/dbraw/zinc/14/44/58/937144458.db2.gz PVJQUUZLDHMOJY-RYUDHWBXSA-N 1 0 285.294 1.866 20 5 CDBDRO [NH3+]CCc1cnn(-c2ccnc3c2cccc3[N+](=O)[O-])c1 ZINC001168952669 927558395 /nfs/dbraw/zinc/55/83/95/927558395.db2.gz OIFSLFZRMYKKKN-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO CC1(C)C[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCO1 ZINC001168977462 927562639 /nfs/dbraw/zinc/56/26/39/927562639.db2.gz KAAWXCFPFLPOMS-GRYCIOLGSA-N 1 0 256.346 1.979 20 5 CDBDRO CC(C)(C)OC(=O)NCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168959165 927579639 /nfs/dbraw/zinc/57/96/39/927579639.db2.gz UHPFXZJBUYVNIL-WDEREUQCSA-N 1 0 287.360 1.546 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCN2CCCCC2)C1 ZINC001168958921 927580332 /nfs/dbraw/zinc/58/03/32/927580332.db2.gz RHKOTBFKWYTQFF-STQMWFEESA-N 1 0 255.362 1.507 20 5 CDBDRO C[C@@]1(O)CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168960615 927581308 /nfs/dbraw/zinc/58/13/08/927581308.db2.gz FSDDBPPQPJNWCH-WUHRBBMRSA-N 1 0 256.346 1.715 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCN2CCSCC2)C1 ZINC001168969556 927591036 /nfs/dbraw/zinc/59/10/36/927591036.db2.gz FFLXXSRYIXOCGK-RYUDHWBXSA-N 1 0 273.402 1.070 20 5 CDBDRO CC(=O)NC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169006356 927609466 /nfs/dbraw/zinc/60/94/66/927609466.db2.gz GUXBBJKKUKACAW-AAEUAGOBSA-N 1 0 269.345 1.032 20 5 CDBDRO C[C@]1(O)CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169008059 927612292 /nfs/dbraw/zinc/61/22/92/927612292.db2.gz RILSWJRQCICKFM-AGIUHOORSA-N 1 0 256.346 1.669 20 5 CDBDRO CCC1(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)OCCO1 ZINC001169007164 927612551 /nfs/dbraw/zinc/61/25/51/927612551.db2.gz LRKVKOABYWHDSK-VXGBXAGGSA-N 1 0 272.345 1.565 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+](CCO)Cc2ccccc2)C1 ZINC001169009466 927614350 /nfs/dbraw/zinc/61/43/50/927614350.db2.gz WJZHYKWITMVHLX-GJZGRUSLSA-N 1 0 278.352 1.926 20 5 CDBDRO COC[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011939 927616867 /nfs/dbraw/zinc/61/68/67/927616867.db2.gz NUTKESCHIWKQJE-AGIUHOORSA-N 1 0 256.346 1.933 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCN2CCCC(F)(F)C2)C1 ZINC001168986941 927621928 /nfs/dbraw/zinc/62/19/28/927621928.db2.gz GKSBLWMYTXKUAL-NWDGAFQWSA-N 1 0 291.342 1.753 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2ccccc2O)C1 ZINC001168986646 927622246 /nfs/dbraw/zinc/62/22/46/927622246.db2.gz YCIZMPVFFNVMQC-WCQYABFASA-N 1 0 264.325 1.970 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2N2CCOCC2)C1 ZINC001168989911 927629249 /nfs/dbraw/zinc/62/92/49/927629249.db2.gz XSIPJHGGSYAZHJ-LXTVHRRPSA-N 1 0 297.399 1.275 20 5 CDBDRO CC[N@H+](CCN1CCCC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169033216 927640937 /nfs/dbraw/zinc/64/09/37/927640937.db2.gz BKLITNBGMOBDRG-KGLIPLIRSA-N 1 0 269.389 1.850 20 5 CDBDRO COC(=O)C1(C)CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169033580 927641394 /nfs/dbraw/zinc/64/13/94/927641394.db2.gz CAVQHKQCCPQWPD-NEPJUHHUSA-N 1 0 284.356 1.707 20 5 CDBDRO Cc1noc([C@@H]2CC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169035137 927642706 /nfs/dbraw/zinc/64/27/06/927642706.db2.gz AKVBAGDKFPZFKD-IJLUTSLNSA-N 1 0 280.328 1.613 20 5 CDBDRO Cc1noc([C@@H]2CC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169035139 927643463 /nfs/dbraw/zinc/64/34/63/927643463.db2.gz AKVBAGDKFPZFKD-TUAOUCFPSA-N 1 0 280.328 1.613 20 5 CDBDRO CC1(C)C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCO1 ZINC001169037753 927648148 /nfs/dbraw/zinc/64/81/48/927648148.db2.gz UCEHNNNKKZEMKY-NEPJUHHUSA-N 1 0 256.346 1.933 20 5 CDBDRO CC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039107 927651107 /nfs/dbraw/zinc/65/11/07/927651107.db2.gz NBNCSICQZRUVLF-XQQFMLRXSA-N 1 0 254.330 1.875 20 5 CDBDRO CN1CC2(C1)CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169044655 927657026 /nfs/dbraw/zinc/65/70/26/927657026.db2.gz INCHBZCYXBWOSD-RYUDHWBXSA-N 1 0 253.346 1.069 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC001169022469 927662438 /nfs/dbraw/zinc/66/24/38/927662438.db2.gz BYBCTUAZRMQWAD-MGPQQGTHSA-N 1 0 267.373 1.602 20 5 CDBDRO CC(C)C(=O)N[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169051960 927669074 /nfs/dbraw/zinc/66/90/74/927669074.db2.gz DRFBSQOGDMWBCP-MCIONIFRSA-N 1 0 297.399 1.668 20 5 CDBDRO CC[NH+](CC)C[C@@H]1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCO1 ZINC001169052469 927670138 /nfs/dbraw/zinc/67/01/38/927670138.db2.gz GEUQKXNBLCNODM-QLFBSQMISA-N 1 0 299.415 1.474 20 5 CDBDRO C[N@H+](Cc1cncnc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169054254 927671630 /nfs/dbraw/zinc/67/16/30/927671630.db2.gz LIRDDKAGZHTAAV-ZYHUDNBSSA-N 1 0 250.302 1.354 20 5 CDBDRO CCC(=O)N(C)C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169054258 927672342 /nfs/dbraw/zinc/67/23/42/927672342.db2.gz LIVHFSIPDRAHNE-TZMCWYRMSA-N 1 0 297.399 1.765 20 5 CDBDRO C[C@@H]([NH3+])c1ccn(-c2ncc3cccc([N+](=O)[O-])c3n2)n1 ZINC001169231714 927841181 /nfs/dbraw/zinc/84/11/81/927841181.db2.gz QKHGNGBXORDOHK-MRVPVSSYSA-N 1 0 284.279 1.743 20 5 CDBDRO C[C@@H]([NH3+])c1ccn(-c2ccc(N(C)C)cc2[N+](=O)[O-])n1 ZINC001169232252 927846779 /nfs/dbraw/zinc/84/67/79/927846779.db2.gz BVRNKZUNNAXQSM-SECBINFHSA-N 1 0 275.312 1.866 20 5 CDBDRO [NH3+]Cc1cccn1-c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001156723995 928946950 /nfs/dbraw/zinc/94/69/50/928946950.db2.gz RBXRSRFFFMWZCV-UHFFFAOYSA-N 1 0 252.661 1.893 20 5 CDBDRO Cc1nc(N2CC[C@@H]([N@@H+](C)C(C)C)C2)ncc1[N+](=O)[O-] ZINC001157022092 929109240 /nfs/dbraw/zinc/10/92/40/929109240.db2.gz UGNAVUZPLPVBOO-LLVKDONJSA-N 1 0 279.344 1.612 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N(C)C(C)(C)C[NH3+] ZINC001170059185 929237100 /nfs/dbraw/zinc/23/71/00/929237100.db2.gz PENUJLGMWYHTDT-UHFFFAOYSA-N 1 0 281.312 1.555 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](CF)C2)c1 ZINC000880289355 929647240 /nfs/dbraw/zinc/64/72/40/929647240.db2.gz LKMRVEXQYOMSLL-AAEUAGOBSA-N 1 0 298.314 1.626 20 5 CDBDRO O=[N+]([O-])c1cc2cc[nH]c2c(N[C@H]2C[NH2+]C[C@H]2CO)c1 ZINC001170777011 929933859 /nfs/dbraw/zinc/93/38/59/929933859.db2.gz BZHGOXXVUSMCQA-CABZTGNLSA-N 1 0 276.296 1.068 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC001170856538 930455420 /nfs/dbraw/zinc/45/54/20/930455420.db2.gz CYPMJHVTFMLDHM-SNVBAGLBSA-N 1 0 283.313 1.069 20 5 CDBDRO C[N@H+](CCO)CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000884824113 930637310 /nfs/dbraw/zinc/63/73/10/930637310.db2.gz RRRPUOBFUYENBC-UHFFFAOYSA-N 1 0 290.323 1.479 20 5 CDBDRO COc1nc(C)c(NCC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001170890927 930684661 /nfs/dbraw/zinc/68/46/61/930684661.db2.gz LRPDCLOKAGPLGX-SSDOTTSWSA-N 1 0 254.290 1.456 20 5 CDBDRO CC(=O)N1CCc2cc(NCC[C@@H](C)[NH3+])cc([N+](=O)[O-])c21 ZINC001170890998 930685615 /nfs/dbraw/zinc/68/56/15/930685615.db2.gz RXPKNGPMPYBDOF-SECBINFHSA-N 1 0 292.339 1.653 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000886039842 930794990 /nfs/dbraw/zinc/79/49/90/930794990.db2.gz QKYRXCHUVXTPCX-OLZOCXBDSA-N 1 0 277.324 1.991 20 5 CDBDRO CC[C@]1(O)CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886147301 930815145 /nfs/dbraw/zinc/81/51/45/930815145.db2.gz ORIXQFNMTYVAKX-LBPRGKRZSA-N 1 0 251.286 1.337 20 5 CDBDRO CC1(C)OCC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886223339 930832090 /nfs/dbraw/zinc/83/20/90/930832090.db2.gz JZBMHWHVLGXIPL-SNVBAGLBSA-N 1 0 251.286 1.647 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000822634535 931189310 /nfs/dbraw/zinc/18/93/10/931189310.db2.gz HVXGTBOMNOAJDZ-CBAPKCEASA-N 1 0 289.295 1.692 20 5 CDBDRO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCCCC1 ZINC000844778826 931700662 /nfs/dbraw/zinc/70/06/62/931700662.db2.gz ZNKAUADLHKQZPR-ZIAGYGMSSA-N 1 0 297.399 1.813 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1-n1cc2ccc(C[NH3+])cc2n1 ZINC001171320423 932651392 /nfs/dbraw/zinc/65/13/92/932651392.db2.gz DBRTWQIVGKNHBQ-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO Cc1nc(-n2cncc2C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001155062532 937629950 /nfs/dbraw/zinc/62/99/50/937629950.db2.gz FFAMPQUMOJYLLI-UHFFFAOYSA-N 1 0 288.311 1.346 20 5 CDBDRO O=[N+]([O-])c1cnc2cccc(NC[C@@H]3CCCC[NH2+]3)n21 ZINC001171341248 932806677 /nfs/dbraw/zinc/80/66/77/932806677.db2.gz VIVREKLPDCASAH-JTQLQIEISA-N 1 0 275.312 1.797 20 5 CDBDRO CCO[C@@H]1C[C@H]([NH2+]CC[N+](=O)[O-])C12CCCCC2 ZINC001119852149 937760210 /nfs/dbraw/zinc/76/02/10/937760210.db2.gz RESHKWRCOKBNSO-NWDGAFQWSA-N 1 0 256.346 1.981 20 5 CDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccoc1 ZINC001123502406 936172101 /nfs/dbraw/zinc/17/21/01/936172101.db2.gz YAXQSIBDZQRRBH-UHFFFAOYSA-N 1 0 289.291 1.707 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](CC[NH3+])C2)c1 ZINC001122210512 937913449 /nfs/dbraw/zinc/91/34/49/937913449.db2.gz BPGHHPPSEWOMIK-JTQLQIEISA-N 1 0 293.323 1.414 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001156039213 938312961 /nfs/dbraw/zinc/31/29/61/938312961.db2.gz PCUAPFJOCSETCG-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO CC(C)N(CCC[NH3+])c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001156117986 938321423 /nfs/dbraw/zinc/32/14/23/938321423.db2.gz LSTMSTSWAUAVPI-UHFFFAOYSA-N 1 0 288.735 1.445 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)n1 ZINC001156384876 938361307 /nfs/dbraw/zinc/36/13/07/938361307.db2.gz BRXLWGPLRPOPIA-IUODEOHRSA-N 1 0 290.367 1.995 20 5 CDBDRO [NH3+]Cc1cnn(-c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)c1 ZINC001157477628 938499157 /nfs/dbraw/zinc/49/91/57/938499157.db2.gz FLIDTBBYLCPOBO-UHFFFAOYSA-N 1 0 296.290 1.696 20 5 CDBDRO Cc1nc(Cl)nc(N2CCC[C@@H]([NH3+])[C@H]2C)c1[N+](=O)[O-] ZINC001157734284 938537801 /nfs/dbraw/zinc/53/78/01/938537801.db2.gz VHTZJXBONDVMGJ-HTQZYQBOSA-N 1 0 285.735 1.663 20 5 CDBDRO CC(C)CCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767161 938542714 /nfs/dbraw/zinc/54/27/14/938542714.db2.gz INQAHCQKDDOHNH-VXGBXAGGSA-N 1 0 271.361 1.184 20 5 CDBDRO C[C@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)C[C@H](C)[NH2+]1 ZINC001158177837 938591482 /nfs/dbraw/zinc/59/14/82/938591482.db2.gz WHKRGTZDJKENFB-UWVGGRQHSA-N 1 0 287.323 1.725 20 5 CDBDRO Cc1nc(Cl)nc(N2CCC[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001158674272 938649022 /nfs/dbraw/zinc/64/90/22/938649022.db2.gz VQLJGQMCLOZIAL-GFCCVEGCSA-N 1 0 299.762 1.912 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@H]2COCC[NH2+]2)c2ccccc21 ZINC001159042649 938695636 /nfs/dbraw/zinc/69/56/36/938695636.db2.gz IMCKJRRXQUGRKJ-JTQLQIEISA-N 1 0 288.307 1.543 20 5 CDBDRO CN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])C(C)(C)C[NH3+] ZINC001159054946 938698399 /nfs/dbraw/zinc/69/83/99/938698399.db2.gz CAVWHOMZBIYARV-UHFFFAOYSA-N 1 0 274.708 1.055 20 5 CDBDRO Cc1nc(N[C@@H](C)[C@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC001159489614 938732273 /nfs/dbraw/zinc/73/22/73/938732273.db2.gz PVCYOIAUCGGMER-GXSJLCMTSA-N 1 0 266.301 1.087 20 5 CDBDRO [NH3+]Cc1ccc2cn(-c3cc([N+](=O)[O-])cc[n+]3[O-])nc2c1 ZINC001160139066 938770768 /nfs/dbraw/zinc/77/07/68/938770768.db2.gz OQBOPFKAGWLEGV-UHFFFAOYSA-N 1 0 285.263 1.026 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])c(NCC[NH+](C)C)cc1OC ZINC001161671257 938918879 /nfs/dbraw/zinc/91/88/79/938918879.db2.gz MWHRETRQDHTNLS-UHFFFAOYSA-N 1 0 297.311 1.364 20 5 CDBDRO [NH3+]C1CCN(CCNc2cc([N+](=O)[O-])cc(Cl)n2)CC1 ZINC001161867632 938937292 /nfs/dbraw/zinc/93/72/92/938937292.db2.gz UEMAHCLQQQOGBX-UHFFFAOYSA-N 1 0 299.762 1.478 20 5 CDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1-n1cnc(C[NH3+])c1 ZINC001162304091 938975701 /nfs/dbraw/zinc/97/57/01/938975701.db2.gz IQOFKTZZAMDRGH-UHFFFAOYSA-N 1 0 290.279 1.416 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001162353299 939033208 /nfs/dbraw/zinc/03/32/08/939033208.db2.gz PDOUTXYKPHEQRY-CQSZACIVSA-N 1 0 291.355 1.906 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162477437 939064409 /nfs/dbraw/zinc/06/44/09/939064409.db2.gz JPPDJRJNMKRKHZ-YUMQZZPRSA-N 1 0 270.264 1.110 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cc(NC[C@H]2C[NH2+][C@H](C)C2)n1 ZINC001162552315 939085589 /nfs/dbraw/zinc/08/55/89/939085589.db2.gz FGSXZJXCRASSRF-RKDXNWHRSA-N 1 0 294.311 1.186 20 5 CDBDRO COc1cc(NC[C@@]2(F)CCCC[NH2+]C2)cnc1[N+](=O)[O-] ZINC001162583375 939094371 /nfs/dbraw/zinc/09/43/71/939094371.db2.gz MULAVURRZZGNHG-CYBMUJFWSA-N 1 0 298.318 1.892 20 5 CDBDRO [NH3+]Cc1ccnn1-c1nc(Cl)ccc1[N+](=O)[O-] ZINC001162593989 939099373 /nfs/dbraw/zinc/09/93/73/939099373.db2.gz WVSCOWZFSFVKIL-UHFFFAOYSA-N 1 0 253.649 1.288 20 5 CDBDRO Cc1ccnc(NC[C@@H]2CC[NH2+]C[C@@H]2F)c1[N+](=O)[O-] ZINC001162801531 939145630 /nfs/dbraw/zinc/14/56/30/939145630.db2.gz AGNPZVFQUYCWKD-UWVGGRQHSA-N 1 0 268.292 1.658 20 5 CDBDRO COc1cc(C)nc(NC[C@@H]2CC[NH2+]C[C@@H]2F)c1[N+](=O)[O-] ZINC001162802487 939146151 /nfs/dbraw/zinc/14/61/51/939146151.db2.gz SVZUTPQIHOWLFG-UWVGGRQHSA-N 1 0 298.318 1.666 20 5 CDBDRO Cc1cc(N[C@@H]2COCCC23C[NH2+]C3)ncc1[N+](=O)[O-] ZINC001163074533 939190835 /nfs/dbraw/zinc/19/08/35/939190835.db2.gz UMQWNVQYRCKGGS-LLVKDONJSA-N 1 0 278.312 1.089 20 5 CDBDRO CC[NH+](CC)CCNC(=N)Nc1ncc([N+](=O)[O-])cc1F ZINC001163126007 939207061 /nfs/dbraw/zinc/20/70/61/939207061.db2.gz MQHDTVFPKPIOIX-UHFFFAOYSA-N 1 0 298.322 1.407 20 5 CDBDRO CCOc1cnc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC001163261503 939234847 /nfs/dbraw/zinc/23/48/47/939234847.db2.gz ZVPQNIKBDJJJPN-USWWRNFRSA-N 1 0 292.339 1.798 20 5 CDBDRO COc1nc(C)nc(N[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC001163773732 939327904 /nfs/dbraw/zinc/32/79/04/939327904.db2.gz VTHWUANNOVMBLH-SSDOTTSWSA-N 1 0 269.305 1.064 20 5 CDBDRO Cc1nc(N2C[C@@H](C)CC[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC001164076590 939407238 /nfs/dbraw/zinc/40/72/38/939407238.db2.gz FLOVBHNHPKEBLD-WPRPVWTQSA-N 1 0 265.317 1.257 20 5 CDBDRO C[C@H]1C[C@@H](CF)N(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001164260513 939442632 /nfs/dbraw/zinc/44/26/32/939442632.db2.gz PAUHAMBXYHAWEI-WPRPVWTQSA-N 1 0 295.318 1.256 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)nc(-n2cnc3c2C[NH2+]CC3)c1 ZINC001164310171 939451172 /nfs/dbraw/zinc/45/11/72/939451172.db2.gz KGXKSLUHMYAJRG-UHFFFAOYSA-N 1 0 279.687 1.475 20 5 CDBDRO O=[N+]([O-])c1cnc(-n2cnc3c2C[NH2+]CC3)c(Cl)c1 ZINC001164310300 939451359 /nfs/dbraw/zinc/45/13/59/939451359.db2.gz OUUOUIBPTQYSAI-UHFFFAOYSA-N 1 0 279.687 1.475 20 5 CDBDRO C[C@H]1CC[C@H](C[NH3+])CN1c1cccc([N+](=O)[O-])n1 ZINC001164463180 939475864 /nfs/dbraw/zinc/47/58/64/939475864.db2.gz XQTAMXGHZSCCQW-VHSXEESVSA-N 1 0 250.302 1.553 20 5 CDBDRO C[C@@H]1CC[C@@H](C[NH3+])CN1c1ncc([N+](=O)[O-])cc1F ZINC001164463218 939476010 /nfs/dbraw/zinc/47/60/10/939476010.db2.gz YDCBCSJTZCLRKN-BDAKNGLRSA-N 1 0 268.292 1.693 20 5 CDBDRO CCCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164494568 939478894 /nfs/dbraw/zinc/47/88/94/939478894.db2.gz MPNQSFRMEYCVFA-CHWSQXEVSA-N 1 0 297.399 1.718 20 5 CDBDRO CC[NH+]1CCC(N(C)c2cc(OC)c([N+](=O)[O-])cn2)CC1 ZINC001165068154 939506187 /nfs/dbraw/zinc/50/61/87/939506187.db2.gz MFRVTQDGXPSNSK-UHFFFAOYSA-N 1 0 294.355 1.919 20 5 CDBDRO CC(C)[N@@H+]1CCN(c2nc(Cl)ncc2[N+](=O)[O-])C[C@H]1C ZINC001165199045 939522794 /nfs/dbraw/zinc/52/27/94/939522794.db2.gz RFOXASZMYOMIHA-SECBINFHSA-N 1 0 299.762 1.957 20 5 CDBDRO [NH3+][C@]12C[C@H]1CN(c1cc([N+](=O)[O-])cc(Cl)n1)C2 ZINC001165312661 939544282 /nfs/dbraw/zinc/54/42/82/939544282.db2.gz CLVNMORYHPKULO-WKEGUHRASA-N 1 0 254.677 1.181 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]3[NH2+]C[C@@H]32)c(F)c1 ZINC001165388681 939556775 /nfs/dbraw/zinc/55/67/75/939556775.db2.gz CRNQSOOXLILQNR-UWVGGRQHSA-N 1 0 252.249 1.070 20 5 CDBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(-n2c[nH+]c(C)c2N)c1 ZINC001211369999 940750561 /nfs/dbraw/zinc/75/05/61/940750561.db2.gz QLNSDIIEPZJRLO-UHFFFAOYSA-N 1 0 290.279 1.848 20 5 CDBDRO COC(=O)c1cc(OC)c(O[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218176197 941041803 /nfs/dbraw/zinc/04/18/03/941041803.db2.gz GEUOBTFPWDCOPW-VIFPVBQESA-N 1 0 296.279 1.131 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1F)ncnc2O[C@@H]1CCC[NH2+]C1 ZINC001218281543 941050647 /nfs/dbraw/zinc/05/06/47/941050647.db2.gz GRSPQHLRXWIFMU-MRVPVSSYSA-N 1 0 292.270 1.808 20 5 CDBDRO Cc1[nH]c(=O)cc(O[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001218283055 941051140 /nfs/dbraw/zinc/05/11/40/941051140.db2.gz BIBONAQUBGKXPG-QMMMGPOBSA-N 1 0 253.258 1.135 20 5 CDBDRO Cc1ccc(O[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001218286023 941052102 /nfs/dbraw/zinc/05/21/02/941052102.db2.gz QIHNKLBXZVFZRR-VIFPVBQESA-N 1 0 281.268 1.942 20 5 CDBDRO Nc1ccc(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC001218463427 941220241 /nfs/dbraw/zinc/22/02/41/941220241.db2.gz HPKVALJFOFCOSV-GMOODISLSA-N 1 0 263.297 1.554 20 5 CDBDRO Cc1cc(NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC001524232778 970825736 /nfs/dbraw/zinc/82/57/36/970825736.db2.gz WSZVGYVLECPNLB-BXKDBHETSA-N 1 0 281.287 1.789 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OCCC[N+](C)(C)C ZINC001224622167 941777284 /nfs/dbraw/zinc/77/72/84/941777284.db2.gz GCNSUKLYZQWSBG-LLVKDONJSA-N 1 0 285.368 1.601 20 5 CDBDRO CCOC(=N)CCCCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224963562 941809475 /nfs/dbraw/zinc/80/94/75/941809475.db2.gz OQWRSFSJLBYIFZ-GFCCVEGCSA-N 1 0 289.396 1.171 20 5 CDBDRO CC[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cn2)C1 ZINC001225633545 941892303 /nfs/dbraw/zinc/89/23/03/941892303.db2.gz QCHAYYXPJUEVOX-NSHDSACASA-N 1 0 251.286 1.853 20 5 CDBDRO CCOC(=O)c1cnc(C)nc1O[C@H](C)C[N+](C)(C)C ZINC001225930218 941930478 /nfs/dbraw/zinc/93/04/78/941930478.db2.gz CONPHKYRHMPLIA-SNVBAGLBSA-N 1 0 282.364 1.435 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2ccc(C)nc2[N+](=O)[O-])C1 ZINC001227222598 942152229 /nfs/dbraw/zinc/15/22/29/942152229.db2.gz SGUDKNZNHWZVOE-JTQLQIEISA-N 1 0 251.286 1.771 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](Oc2ncc([N+](=O)[O-])c3nc[nH]c32)C1 ZINC001227692338 942205688 /nfs/dbraw/zinc/20/56/88/942205688.db2.gz XAPCBLIQAVUKPN-VIFPVBQESA-N 1 0 291.311 1.728 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001227743779 942216400 /nfs/dbraw/zinc/21/64/00/942216400.db2.gz XWSGDNNJXZNNBX-VIFPVBQESA-N 1 0 279.320 1.945 20 5 CDBDRO C[N@@H+]1CC[C@H](Oc2n[nH]c(=O)c3cccc([N+](=O)[O-])c32)C1 ZINC001229374741 942460647 /nfs/dbraw/zinc/46/06/47/942460647.db2.gz QUQGUZFALLZPDJ-QMMMGPOBSA-N 1 0 290.279 1.327 20 5 CDBDRO COc1cc(/C=C\C(N)=O)ccc1O[C@H](C)C[N+](C)(C)C ZINC001229497170 942482576 /nfs/dbraw/zinc/48/25/76/942482576.db2.gz KUKSIJPFKMCPFN-ZVTBTPLYSA-O 1 0 293.387 1.667 20 5 CDBDRO Cc1cc(O)c(OC[C@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC001229755136 942525975 /nfs/dbraw/zinc/52/59/75/942525975.db2.gz WAYXQIXQYHKUCJ-SNVBAGLBSA-N 1 0 282.296 1.318 20 5 CDBDRO C[C@@H](C[NH+](C)C)Oc1ccc([N+](=O)[O-])nc1Cl ZINC001229914159 942552530 /nfs/dbraw/zinc/55/25/30/942552530.db2.gz BLPXNMYYBIRSST-ZETCQYMHSA-N 1 0 259.693 1.972 20 5 CDBDRO NC(=O)C1C[NH+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232223165 943173063 /nfs/dbraw/zinc/17/30/63/943173063.db2.gz KXZKIMYGBYFPCA-UHFFFAOYSA-N 1 0 292.342 1.700 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](Oc2ccnc([N+](=O)[O-])c2)C1 ZINC001233858013 943674728 /nfs/dbraw/zinc/67/47/28/943674728.db2.gz QVCMRWMRPZBCCD-NSHDSACASA-N 1 0 251.286 1.851 20 5 CDBDRO CCc1cccc(C)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001233929749 943693964 /nfs/dbraw/zinc/69/39/64/943693964.db2.gz GEGYRBWTHBDXEB-CQSZACIVSA-N 1 0 280.388 1.920 20 5 CDBDRO COc1ccc(O[C@@H](C)C[N+](C)(C)C)c(OC)n1 ZINC001234257897 943785351 /nfs/dbraw/zinc/78/53/51/943785351.db2.gz YCNQDPGKHHBACI-JTQLQIEISA-N 1 0 255.338 1.572 20 5 CDBDRO CCN(C(=O)c1ccc(NC)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC001262047270 946401359 /nfs/dbraw/zinc/40/13/59/946401359.db2.gz LOWCHYIBSTWSKM-NSHDSACASA-N 1 0 292.339 1.461 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCCF ZINC001262566367 946717006 /nfs/dbraw/zinc/71/70/06/946717006.db2.gz OCGBWUWUEYDGTH-JTQLQIEISA-N 1 0 272.276 1.284 20 5 CDBDRO CO[C@@H]1COCC[C@H]1[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254537482 947515874 /nfs/dbraw/zinc/51/58/74/947515874.db2.gz FAIOBBXAWUHULG-UXIGCNINSA-N 1 0 294.351 1.919 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](CO)C1 ZINC001254538482 947515920 /nfs/dbraw/zinc/51/59/20/947515920.db2.gz VZNBYSAILXCALQ-GVXVVHGQSA-N 1 0 264.325 1.886 20 5 CDBDRO COC(=O)CN(C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254564737 947527669 /nfs/dbraw/zinc/52/76/69/947527669.db2.gz MQYSLTPSCGDAFN-SNVBAGLBSA-N 1 0 266.297 1.631 20 5 CDBDRO [NH3+]Cc1nccn1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254567011 947527943 /nfs/dbraw/zinc/52/79/43/947527943.db2.gz MJBFRRKPRTYVLU-GFCCVEGCSA-N 1 0 258.281 1.590 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCCOC1)C2 ZINC001254572670 947533532 /nfs/dbraw/zinc/53/35/32/947533532.db2.gz ROENCNLDKPLOET-STQMWFEESA-N 1 0 262.309 1.831 20 5 CDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254582001 947537473 /nfs/dbraw/zinc/53/74/73/947537473.db2.gz RPYMUZVLBRNONF-IACUBPJLSA-N 1 0 276.336 1.811 20 5 CDBDRO CC(C)[C@](C)([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254581025 947538102 /nfs/dbraw/zinc/53/81/02/947538102.db2.gz IENJSHDXSYEWJY-WFASDCNBSA-N 1 0 291.351 1.552 20 5 CDBDRO C[C@@]1([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCOC1 ZINC001254590664 947543064 /nfs/dbraw/zinc/54/30/64/947543064.db2.gz YHZZXZGSVCJRIS-GXTWGEPZSA-N 1 0 262.309 1.831 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@H](CO)C1)C2 ZINC001254597886 947546763 /nfs/dbraw/zinc/54/67/63/947546763.db2.gz IRNCDBHGFAWPHX-XHDPSFHLSA-N 1 0 276.336 1.766 20 5 CDBDRO NC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596404 947547066 /nfs/dbraw/zinc/54/70/66/947547066.db2.gz DJDBEOIFICFVTR-OLZOCXBDSA-N 1 0 275.308 1.012 20 5 CDBDRO CN1CC[C@@H]([N@H+](C)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601244 947549155 /nfs/dbraw/zinc/54/91/55/947549155.db2.gz WNYYDXZJZLUHIL-HUUCEWRRSA-N 1 0 275.352 1.698 20 5 CDBDRO NC(=O)[C@@H]1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254600865 947550074 /nfs/dbraw/zinc/55/00/74/947550074.db2.gz WLFRNJMHQXJRLS-RISCZKNCSA-N 1 0 289.335 1.259 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCc3ncncc3C1)C2 ZINC001254600963 947551355 /nfs/dbraw/zinc/55/13/55/947551355.db2.gz SUSLGEBVJWKMKZ-HNNXBMFYSA-N 1 0 296.330 1.910 20 5 CDBDRO COC(=O)CC[N@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254609806 947556140 /nfs/dbraw/zinc/55/61/40/947556140.db2.gz YLUKNDGXKMGQOQ-CYBMUJFWSA-N 1 0 278.308 1.557 20 5 CDBDRO CC1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C[NH2+]C1 ZINC001247806309 948789992 /nfs/dbraw/zinc/78/99/92/948789992.db2.gz SRRYESNZBOJUNG-UHFFFAOYSA-N 1 0 279.231 1.040 20 5 CDBDRO Cc1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])[nH]n1 ZINC001324444705 953392294 /nfs/dbraw/zinc/39/22/94/953392294.db2.gz XOTHUUDUPWZGIK-UHFFFAOYSA-N 1 0 275.312 1.592 20 5 CDBDRO CC(C)CNC(=O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC001327149939 954737783 /nfs/dbraw/zinc/73/77/83/954737783.db2.gz HRNOWWIOKKGSOS-CYBMUJFWSA-N 1 0 291.351 1.944 20 5 CDBDRO COc1cc(C[NH2+][C@H]2C[C@@H](CO)C2)c([N+](=O)[O-])cc1O ZINC001308490024 956533060 /nfs/dbraw/zinc/53/30/60/956533060.db2.gz HKKGQYJQWRVQMW-WAAGHKOSSA-N 1 0 282.296 1.170 20 5 CDBDRO Cc1nnc([C@H](C)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)[nH]1 ZINC001308744468 956572617 /nfs/dbraw/zinc/57/26/17/956572617.db2.gz GPDUCVNJPHDTDH-WFRXLMHJSA-N 1 0 291.315 1.272 20 5 CDBDRO O=C(c1ccccc1)N1CCC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC001334765444 959337838 /nfs/dbraw/zinc/33/78/38/959337838.db2.gz WWFXPHNTMLGXII-CYBMUJFWSA-N 1 0 277.324 1.158 20 5 CDBDRO CN(C)C(=O)OCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001321889541 960006492 /nfs/dbraw/zinc/00/64/92/960006492.db2.gz CPMIQOCLLWHOEI-UHFFFAOYSA-N 1 0 295.339 1.767 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001322149482 960111667 /nfs/dbraw/zinc/11/16/67/960111667.db2.gz WIGZPQZETOTPAK-AWEZNQCLSA-N 1 0 289.335 1.921 20 5 CDBDRO COc1c(O)ccc(C[NH2+]Cc2ccn(C)c2)c1[N+](=O)[O-] ZINC001336733736 960522381 /nfs/dbraw/zinc/52/23/81/960522381.db2.gz COWQXIMKPMXKFG-UHFFFAOYSA-N 1 0 291.307 1.937 20 5 CDBDRO CC[NH+](CC)[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001339597421 962444866 /nfs/dbraw/zinc/44/48/66/962444866.db2.gz ZGGYTMPCBXOADB-SNVBAGLBSA-N 1 0 279.344 1.493 20 5 CDBDRO CC[C@@H](C)[NH+]1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)CC1 ZINC001339668653 962477903 /nfs/dbraw/zinc/47/79/03/962477903.db2.gz PSTIVXXJVYRWPU-GHMZBOCLSA-N 1 0 296.375 1.073 20 5 CDBDRO C[C@@H](NC(=O)[C@]1(C)CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001341738719 963525903 /nfs/dbraw/zinc/52/59/03/963525903.db2.gz CHHRHZOOYCSCIG-QMTHXVAHSA-N 1 0 277.324 1.772 20 5 CDBDRO CO[C@H]1C[NH2+][C@](C)(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C1 ZINC001342134916 963649829 /nfs/dbraw/zinc/64/98/29/963649829.db2.gz GQTDUMNCFNQWOD-OCCSQVGLSA-N 1 0 293.323 1.609 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001343505906 964014423 /nfs/dbraw/zinc/01/44/23/964014423.db2.gz OTMXHVBOHPDKRY-WCFLWFBJSA-N 1 0 277.324 1.552 20 5 CDBDRO C[NH2+][C@@H](C)CCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC001345103450 964573728 /nfs/dbraw/zinc/57/37/28/964573728.db2.gz FJOAYRIJXHFXSO-JTQLQIEISA-N 1 0 267.329 1.691 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC001345856733 964834531 /nfs/dbraw/zinc/83/45/31/964834531.db2.gz VHLXEWGEOIBNNH-UWVGGRQHSA-N 1 0 292.339 1.507 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NOCC[NH+](C)C ZINC001347776832 965692490 /nfs/dbraw/zinc/69/24/90/965692490.db2.gz YODSZDNOLQHHLY-UHFFFAOYSA-N 1 0 295.339 1.743 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC2(C[NH2+]C2)CC1 ZINC001354201538 968532785 /nfs/dbraw/zinc/53/27/85/968532785.db2.gz MWIGTLRNTHFURM-UHFFFAOYSA-N 1 0 281.337 1.482 20 5 CDBDRO Cc1ccc(C(=O)N2CCC[C@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001355626382 969231248 /nfs/dbraw/zinc/23/12/48/969231248.db2.gz HYANUQIDUJMHEF-OAHLLOKOSA-N 1 0 289.335 1.871 20 5 CDBDRO CN1CCC[NH+]=C1NCCc1cccc([N+](=O)[O-])c1 ZINC000849015219 969406099 /nfs/dbraw/zinc/40/60/99/969406099.db2.gz ZLTPYFRLNRFRIP-UHFFFAOYSA-N 1 0 262.313 1.418 20 5 CDBDRO CC(C)[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001575730656 1171255815 /nfs/dbraw/zinc/25/58/15/1171255815.db2.gz GDTQSDYZGGVVRX-UHFFFAOYSA-N 1 0 280.328 1.295 20 5 CDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC1(C)C[NH2+]C1 ZINC001575925165 1171297647 /nfs/dbraw/zinc/29/76/47/1171297647.db2.gz VKYMZMIOQNRLFA-SNVBAGLBSA-N 1 0 292.339 1.263 20 5 CDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]C1 ZINC001577645897 1171711178 /nfs/dbraw/zinc/71/11/78/1171711178.db2.gz DLVKGBQDUPCSFF-JTQLQIEISA-N 1 0 278.312 1.204 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@@H]2C1 ZINC000601185411 342489214 /nfs/dbraw/zinc/48/92/14/342489214.db2.gz UBDWSFFLVWQIAX-ZJUUUORDSA-N 1 0 280.303 1.517 20 5 CDBDRO CC[NH+](CC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000003594387 341998022 /nfs/dbraw/zinc/99/80/22/341998022.db2.gz AESDGLBSBRUZHR-LBPRGKRZSA-N 1 0 268.313 1.676 20 5 CDBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC[C@H](O)C2)c(Cl)c1 ZINC000599201588 343980203 /nfs/dbraw/zinc/98/02/03/343980203.db2.gz GZMKMATWGAUOMP-JTQLQIEISA-N 1 0 285.731 1.727 20 5 CDBDRO C[N@H+]1CC=C(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601409958 342560650 /nfs/dbraw/zinc/56/06/50/342560650.db2.gz AVSKFUHNZOFAIU-UHFFFAOYSA-N 1 0 293.298 1.726 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000127708215 187327766 /nfs/dbraw/zinc/32/77/66/187327766.db2.gz NGIXBJLAFOCHMT-LLVKDONJSA-N 1 0 293.323 1.427 20 5 CDBDRO O=[N+]([O-])c1sccc1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000590722025 342583918 /nfs/dbraw/zinc/58/39/18/342583918.db2.gz FPGQIOLQDSMSDB-AOOOYVTPSA-N 1 0 283.353 1.931 20 5 CDBDRO CN(C(=O)c1cc([N+](=O)[O-])cn1C)C1CC[NH+](C)CC1 ZINC000590780376 342594325 /nfs/dbraw/zinc/59/43/25/342594325.db2.gz DSOGAKODEDUHRA-UHFFFAOYSA-N 1 0 280.328 1.100 20 5 CDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[NH+](C)C ZINC000033093612 342085698 /nfs/dbraw/zinc/08/56/98/342085698.db2.gz FWQHLKQLLOMEKB-JTQLQIEISA-N 1 0 294.355 1.341 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000590971942 342612491 /nfs/dbraw/zinc/61/24/91/342612491.db2.gz YDSLTHGXVQWQEW-GFCCVEGCSA-N 1 0 277.324 1.519 20 5 CDBDRO O=[N+]([O-])c1ccc2c(ccnc2N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000591436887 342631756 /nfs/dbraw/zinc/63/17/56/342631756.db2.gz RTRIFTYKQCOSBD-TXEJJXNPSA-N 1 0 284.319 1.799 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)s1 ZINC000591437333 342631934 /nfs/dbraw/zinc/63/19/34/342631934.db2.gz GMWZERTVXMIUQB-DTWKUNHWSA-N 1 0 253.327 1.845 20 5 CDBDRO COc1cccc(N2CC[C@H]3CC[NH2+][C@H]3C2)c1[N+](=O)[O-] ZINC000591437714 342631957 /nfs/dbraw/zinc/63/19/57/342631957.db2.gz JEWKXBCHVOHADN-MNOVXSKESA-N 1 0 277.324 1.792 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3CC[NH2+][C@H]3C2)c(Cl)c1 ZINC000591439307 342632098 /nfs/dbraw/zinc/63/20/98/342632098.db2.gz SNRWHPXOPFXBBC-KWQFWETISA-N 1 0 282.731 1.831 20 5 CDBDRO O=[N+]([O-])c1cnc2ccccc2c1N[C@H]1CC[NH2+]C1 ZINC000125364850 187181757 /nfs/dbraw/zinc/18/17/57/187181757.db2.gz YEXJVXLWPXUDCM-VIFPVBQESA-N 1 0 258.281 1.917 20 5 CDBDRO CC1(C)C[NH2+][C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000591668566 342641158 /nfs/dbraw/zinc/64/11/58/342641158.db2.gz GVSHCFNKHXXXIS-NSHDSACASA-N 1 0 263.297 1.209 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000591667924 342641209 /nfs/dbraw/zinc/64/12/09/342641209.db2.gz GGCXUYIOIUCBTN-SKDRFNHKSA-N 1 0 277.324 1.770 20 5 CDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCC[NH2+]C1CC1 ZINC000591679222 342641738 /nfs/dbraw/zinc/64/17/38/342641738.db2.gz OMUAYYXNLNBZGF-UHFFFAOYSA-N 1 0 293.323 1.232 20 5 CDBDRO NC(=O)CC[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000591764833 342645860 /nfs/dbraw/zinc/64/58/60/342645860.db2.gz KRKZJTWUFGNIIU-UHFFFAOYSA-N 1 0 291.229 1.579 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)COCC[NH3+])cc1[N+](=O)[O-] ZINC000592210772 342678609 /nfs/dbraw/zinc/67/86/09/342678609.db2.gz IAFUGUIESFOBCL-JTQLQIEISA-N 1 0 281.312 1.056 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000592545855 342709002 /nfs/dbraw/zinc/70/90/02/342709002.db2.gz ZVPJVSGZPLBVBX-MWLCHTKSSA-N 1 0 290.323 1.001 20 5 CDBDRO CCOc1cc(C[N@H+](CCO)C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000289872646 361866774 /nfs/dbraw/zinc/86/67/74/361866774.db2.gz QVIUKAOASRMAHV-NSHDSACASA-N 1 0 298.339 1.169 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CC12CC[NH2+]CC2 ZINC000070256211 361871651 /nfs/dbraw/zinc/87/16/51/361871651.db2.gz RZUIPMHTYUTFMK-CYBMUJFWSA-N 1 0 289.335 1.601 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000573417535 361876961 /nfs/dbraw/zinc/87/69/61/361876961.db2.gz WDQLAIHIAPOMFL-OCCSQVGLSA-N 1 0 289.335 1.300 20 5 CDBDRO C[NH+](C)CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342868266 361908595 /nfs/dbraw/zinc/90/85/95/361908595.db2.gz KIFZMTGRXBLPLC-UHFFFAOYSA-N 1 0 276.296 1.368 20 5 CDBDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000593673360 342821095 /nfs/dbraw/zinc/82/10/95/342821095.db2.gz GIWXCZSNVAODSP-CHWSQXEVSA-N 1 0 280.324 1.485 20 5 CDBDRO CO[C@H](C[NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000290017302 361975786 /nfs/dbraw/zinc/97/57/86/361975786.db2.gz QTGVXBODGMVKSI-CYBMUJFWSA-N 1 0 295.339 1.306 20 5 CDBDRO CC(C)Oc1nc(N2CC[NH2+]C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000593931449 342852908 /nfs/dbraw/zinc/85/29/08/342852908.db2.gz KWVXRXWYKPYUFW-UHFFFAOYSA-N 1 0 294.355 1.965 20 5 CDBDRO C[C@H](NC(=O)[C@H](N)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000593902427 342853651 /nfs/dbraw/zinc/85/36/51/342853651.db2.gz SWINMJKILKDOAC-GXFFZTMASA-N 1 0 294.355 1.051 20 5 CDBDRO CCc1nn(C)c(SCC[NH+](C)C)c1[N+](=O)[O-] ZINC000588822954 342222370 /nfs/dbraw/zinc/22/23/70/342222370.db2.gz IRZNJKPQFXJGME-UHFFFAOYSA-N 1 0 258.347 1.544 20 5 CDBDRO O=[N+]([O-])c1ccc(CNC[C@H]2COCC[NH2+]2)c(Cl)c1 ZINC000600679133 342242030 /nfs/dbraw/zinc/24/20/30/342242030.db2.gz ZTYQCKSHQMAJLX-JTQLQIEISA-N 1 0 285.731 1.326 20 5 CDBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1[nH]ncc1[N+](=O)[O-] ZINC000594420480 342903204 /nfs/dbraw/zinc/90/32/04/342903204.db2.gz VDTNDPJSKWLWDK-NXEZZACHSA-N 1 0 293.327 1.065 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000125833963 187202148 /nfs/dbraw/zinc/20/21/48/187202148.db2.gz SWLXYTMRSSIKSH-SNVBAGLBSA-N 1 0 295.314 1.806 20 5 CDBDRO Cc1c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000107578049 349707507 /nfs/dbraw/zinc/70/75/07/349707507.db2.gz UKOHDNCKNUQIFE-STQMWFEESA-N 1 0 261.325 1.554 20 5 CDBDRO COC[C@@H](CCO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595010588 342990229 /nfs/dbraw/zinc/99/02/29/342990229.db2.gz VFLYWXNKHPZKNT-WDEREUQCSA-N 1 0 298.339 1.651 20 5 CDBDRO Cc1c(C[NH2+][C@@H](C)Cn2cncn2)cccc1[N+](=O)[O-] ZINC000595039405 342998386 /nfs/dbraw/zinc/99/83/86/342998386.db2.gz DZIVISNWSFBKRV-JTQLQIEISA-N 1 0 275.312 1.673 20 5 CDBDRO CO[C@@H](C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000595069715 343002365 /nfs/dbraw/zinc/00/23/65/343002365.db2.gz QZAXRXJQPRVSLV-SDDRHHMPSA-N 1 0 282.344 1.900 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C/C=C/CO)n1 ZINC000595074001 343002785 /nfs/dbraw/zinc/00/27/85/343002785.db2.gz UQOAOSHNUGYNLP-HEKLCECKSA-N 1 0 280.328 1.413 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000595261376 343014702 /nfs/dbraw/zinc/01/47/02/343014702.db2.gz YIGQIFDCVNSNPS-GHMZBOCLSA-N 1 0 281.287 1.415 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000595236943 343016930 /nfs/dbraw/zinc/01/69/30/343016930.db2.gz SHNCPRNIRQFTDP-VIFPVBQESA-N 1 0 280.328 1.941 20 5 CDBDRO CCC(CC)(C[NH2+]Cc1onc(C)c1[N+](=O)[O-])C(=O)OC ZINC000595396415 343047601 /nfs/dbraw/zinc/04/76/01/343047601.db2.gz LICDGIDCIUWULV-UHFFFAOYSA-N 1 0 299.327 1.960 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H](CO)C1CCOCC1 ZINC000595428011 343057620 /nfs/dbraw/zinc/05/76/20/343057620.db2.gz YOWKUFOGEXIONN-CYBMUJFWSA-N 1 0 298.314 1.611 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H](O)C1CC1 ZINC000619531675 349793010 /nfs/dbraw/zinc/79/30/10/349793010.db2.gz PXFPUANCGMGABB-CYBMUJFWSA-N 1 0 280.324 1.806 20 5 CDBDRO C[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[NH+](C)C ZINC000342909041 362015917 /nfs/dbraw/zinc/01/59/17/362015917.db2.gz WTAOHBOVCBMCKA-SECBINFHSA-N 1 0 290.323 1.756 20 5 CDBDRO CN1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CCC1=O ZINC000595774221 343148457 /nfs/dbraw/zinc/14/84/57/343148457.db2.gz UYAGASAVNIEALI-UHFFFAOYSA-N 1 0 281.287 1.398 20 5 CDBDRO C[C@H]1CC[NH2+][C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000126469063 187242320 /nfs/dbraw/zinc/24/23/20/187242320.db2.gz QPYVZLOJOWFPFI-GWCFXTLKSA-N 1 0 277.324 1.599 20 5 CDBDRO CC(C)CC1([NH2+]CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000595830982 343168793 /nfs/dbraw/zinc/16/87/93/343168793.db2.gz IVDKIANQZUUQOD-UHFFFAOYSA-N 1 0 252.318 1.960 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000595984999 343211541 /nfs/dbraw/zinc/21/15/41/343211541.db2.gz ZMHYUJIQRDLGAO-VIFPVBQESA-N 1 0 292.339 1.507 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595920262 343191794 /nfs/dbraw/zinc/19/17/94/343191794.db2.gz PINNDNYOZRERSN-SKDRFNHKSA-N 1 0 265.313 1.770 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595923123 343192442 /nfs/dbraw/zinc/19/24/42/343192442.db2.gz QHHLERQSIBWFFN-LLVKDONJSA-N 1 0 263.297 1.482 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)c1cccc([N+](=O)[O-])c1 ZINC000595948985 343194100 /nfs/dbraw/zinc/19/41/00/343194100.db2.gz WNXGGQAWHAOLRE-UHFFFAOYSA-N 1 0 251.286 1.404 20 5 CDBDRO Nc1ccc(NC2CC[NH+](C3CC3)CC2)nc1[N+](=O)[O-] ZINC000596067500 343224440 /nfs/dbraw/zinc/22/44/40/343224440.db2.gz ZGBYARABXXEZON-UHFFFAOYSA-N 1 0 277.328 1.033 20 5 CDBDRO CC[NH+]1CCN(CCNc2ccc([N+](=O)[O-])s2)CC1 ZINC000596074542 343225881 /nfs/dbraw/zinc/22/58/81/343225881.db2.gz VGCRVVIRMFKCHQ-UHFFFAOYSA-N 1 0 284.385 1.706 20 5 CDBDRO C[C@@H]1C[C@H](Nc2ccc(N)c([N+](=O)[O-])n2)C[N@@H+]1C1CC1 ZINC000596155347 343247275 /nfs/dbraw/zinc/24/72/75/343247275.db2.gz IHFPSBBAEXXSQH-BDAKNGLRSA-N 1 0 277.328 1.031 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596210435 343267537 /nfs/dbraw/zinc/26/75/37/343267537.db2.gz YBYJFVMXLVCTEJ-SNVBAGLBSA-N 1 0 279.344 1.493 20 5 CDBDRO Nc1ccc(NCC2CC[NH+](C3CC3)CC2)nc1[N+](=O)[O-] ZINC000596213163 343268150 /nfs/dbraw/zinc/26/81/50/343268150.db2.gz UWSKDQDTDMGMQV-UHFFFAOYSA-N 1 0 291.355 1.280 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000088721124 342387075 /nfs/dbraw/zinc/38/70/75/342387075.db2.gz LBHMKGYITZAGGX-ZDUSSCGKSA-N 1 0 292.383 1.951 20 5 CDBDRO C[NH+]1CC2(C1)CCN(C(=O)c1csc([N+](=O)[O-])c1)C2 ZINC000619565835 349804973 /nfs/dbraw/zinc/80/49/73/349804973.db2.gz FDCYPOMOIGYNLQ-UHFFFAOYSA-N 1 0 281.337 1.434 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)nc1 ZINC000596557289 343342424 /nfs/dbraw/zinc/34/24/24/343342424.db2.gz GHUOBHCVHHIYLC-CYBMUJFWSA-N 1 0 299.334 1.493 20 5 CDBDRO Cc1nn(C)c(N2CC[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000265140641 282271928 /nfs/dbraw/zinc/27/19/28/282271928.db2.gz QCBCTAAIUGGDOI-JTQLQIEISA-N 1 0 267.333 1.025 20 5 CDBDRO C[NH+](C)CC1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000597709390 343606581 /nfs/dbraw/zinc/60/65/81/343606581.db2.gz VACARZZJDHBXIV-UHFFFAOYSA-N 1 0 277.324 1.157 20 5 CDBDRO [NH3+]CC1(NC(=O)Nc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000111832115 365797227 /nfs/dbraw/zinc/79/72/27/365797227.db2.gz IUZVMAHOJHRENQ-UHFFFAOYSA-N 1 0 278.312 1.988 20 5 CDBDRO O=C1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C[C@@H]2CCCCN12 ZINC000453624756 252329717 /nfs/dbraw/zinc/32/97/17/252329717.db2.gz JUFMRSGZKZJMOC-KBPBESRZSA-N 1 0 289.335 1.838 20 5 CDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000598343828 343771536 /nfs/dbraw/zinc/77/15/36/343771536.db2.gz ZQGONWCYOAOFCB-VIFPVBQESA-N 1 0 283.353 1.870 20 5 CDBDRO CC(C)[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000598578092 343834217 /nfs/dbraw/zinc/83/42/17/343834217.db2.gz YUHOCHIEHIFGDQ-ZDUSSCGKSA-N 1 0 291.351 1.594 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598667202 343862693 /nfs/dbraw/zinc/86/26/93/343862693.db2.gz FVQQDLYWKIZJHK-ABAIWWIYSA-N 1 0 289.335 1.857 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598668621 343871779 /nfs/dbraw/zinc/87/17/79/343871779.db2.gz BWUGLFPCPYFMLW-XHDPSFHLSA-N 1 0 289.335 1.857 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000598915808 343920026 /nfs/dbraw/zinc/92/00/26/343920026.db2.gz PKRIMEBFAVJTQC-IUCAKERBSA-N 1 0 296.302 1.996 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCc2cnc(N)nc2C1 ZINC000598947803 343932715 /nfs/dbraw/zinc/93/27/15/343932715.db2.gz NEZBYJLPVUNWNV-SNVBAGLBSA-N 1 0 299.334 1.917 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000194360372 362285574 /nfs/dbraw/zinc/28/55/74/362285574.db2.gz YVRBYPVGADRHLO-LLVKDONJSA-N 1 0 266.297 1.430 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599175688 343965707 /nfs/dbraw/zinc/96/57/07/343965707.db2.gz HYOSRKXILCPKJV-SNVBAGLBSA-N 1 0 269.276 1.212 20 5 CDBDRO C[NH2+]CC1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000602428215 344422214 /nfs/dbraw/zinc/42/22/14/344422214.db2.gz HTAQYVIAQKWBQA-UHFFFAOYSA-N 1 0 295.314 1.806 20 5 CDBDRO CC(C)CC[C@H]([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000602440566 344418116 /nfs/dbraw/zinc/41/81/16/344418116.db2.gz QXUQMXHMWQXVSQ-LBPRGKRZSA-N 1 0 279.340 1.975 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000602598016 344503628 /nfs/dbraw/zinc/50/36/28/344503628.db2.gz XYNLWNAXTIDAKB-BQBZGAKWSA-N 1 0 255.299 1.218 20 5 CDBDRO CO[C@]1(C[NH2+]CCc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000602579269 344474602 /nfs/dbraw/zinc/47/46/02/344474602.db2.gz DRCVAAFTSPXWOA-AWEZNQCLSA-N 1 0 280.324 1.532 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](CO)[C@H]2CCOC2)cc1 ZINC000602642899 344513124 /nfs/dbraw/zinc/51/31/24/344513124.db2.gz CFLWZQJHSWVLPY-UONOGXRCSA-N 1 0 294.351 1.372 20 5 CDBDRO CC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602899338 344654008 /nfs/dbraw/zinc/65/40/08/344654008.db2.gz ZFBCPESQHCVXTD-NSHDSACASA-N 1 0 252.318 1.878 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000129213529 345277267 /nfs/dbraw/zinc/27/72/67/345277267.db2.gz DQIVIBJTFJMULE-CMPLNLGQSA-N 1 0 277.324 1.476 20 5 CDBDRO Cc1cc(C(=O)N[C@@]2(C)CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000230732823 345440343 /nfs/dbraw/zinc/44/03/43/345440343.db2.gz PAEUFVWGMZMPCH-ZDUSSCGKSA-N 1 0 263.297 1.385 20 5 CDBDRO C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])s2)CC[NH2+]C1 ZINC000230732154 345440360 /nfs/dbraw/zinc/44/03/60/345440360.db2.gz UVKDTHJGODRHOP-SNVBAGLBSA-N 1 0 255.299 1.138 20 5 CDBDRO Cc1nn(C)c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000075061553 345607989 /nfs/dbraw/zinc/60/79/89/345607989.db2.gz MGYKHWOKJHPNLD-MNOVXSKESA-N 1 0 279.344 1.310 20 5 CDBDRO CC1(C)C[NH2+]CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000088139018 346014141 /nfs/dbraw/zinc/01/41/41/346014141.db2.gz NQNRXDLWWCZCGZ-UHFFFAOYSA-N 1 0 277.324 1.348 20 5 CDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000609877992 346031136 /nfs/dbraw/zinc/03/11/36/346031136.db2.gz SAOUFMGTPXDERW-NSHDSACASA-N 1 0 294.355 1.538 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089107266 346123956 /nfs/dbraw/zinc/12/39/56/346123956.db2.gz PNPHVYUEYOCCHO-KOLCDFICSA-N 1 0 280.328 1.181 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000127604939 187318853 /nfs/dbraw/zinc/31/88/53/187318853.db2.gz CZUFEYLELCKTCJ-NEPJUHHUSA-N 1 0 289.335 1.870 20 5 CDBDRO CC(C)[N@H+](C)CC1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000052488270 346443921 /nfs/dbraw/zinc/44/39/21/346443921.db2.gz HYAZRCNXURCFDC-UHFFFAOYSA-N 1 0 295.387 1.885 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@H+](CCO)CC2CC2)cc1 ZINC000064516195 347471683 /nfs/dbraw/zinc/47/16/83/347471683.db2.gz JELMJELSHHTPQV-UHFFFAOYSA-N 1 0 250.298 1.799 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[C@H]1[NH3+] ZINC000122433783 347646535 /nfs/dbraw/zinc/64/65/35/347646535.db2.gz CAMZVKWCSWTURA-NOZJJQNGSA-N 1 0 295.314 1.933 20 5 CDBDRO Cc1cnc(OCC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000122484511 347649131 /nfs/dbraw/zinc/64/91/31/347649131.db2.gz SSFKKTAEVPINAJ-JTQLQIEISA-N 1 0 251.286 1.677 20 5 CDBDRO C[NH+](C)C(C)(C)CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087001202 179377982 /nfs/dbraw/zinc/37/79/82/179377982.db2.gz WTRUMMAGFPBIHB-UHFFFAOYSA-N 1 0 293.367 1.984 20 5 CDBDRO Cc1c(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000089090869 179697975 /nfs/dbraw/zinc/69/79/75/179697975.db2.gz QXSSJWZJRJUHNW-CMPLNLGQSA-N 1 0 277.324 1.760 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000089106350 179701801 /nfs/dbraw/zinc/70/18/01/179701801.db2.gz JOLKAQCAYSTMQW-SCZZXKLOSA-N 1 0 283.353 1.904 20 5 CDBDRO CC(C)[N@@H+]1CCCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000068916369 349083564 /nfs/dbraw/zinc/08/35/64/349083564.db2.gz PORGJRYNCWAUOQ-UHFFFAOYSA-N 1 0 267.333 1.249 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000036749298 362939572 /nfs/dbraw/zinc/93/95/72/362939572.db2.gz HAHWKJHLVJXVIT-JTQLQIEISA-N 1 0 267.333 1.533 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000111303574 349224499 /nfs/dbraw/zinc/22/44/99/349224499.db2.gz BUYDBHYUJHFYFC-MRVPVSSYSA-N 1 0 297.311 1.079 20 5 CDBDRO [NH3+]C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000036753441 362945167 /nfs/dbraw/zinc/94/51/67/362945167.db2.gz OUTJRVHJRXZRAJ-AATRIKPKSA-N 1 0 275.308 1.558 20 5 CDBDRO C[C@H](CO)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000305734800 350083210 /nfs/dbraw/zinc/08/32/10/350083210.db2.gz OZGOEQKEXOXHGW-MRVPVSSYSA-N 1 0 265.269 1.549 20 5 CDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCOC1 ZINC000090848179 180044594 /nfs/dbraw/zinc/04/45/94/180044594.db2.gz YYKNRWCKJCLAES-SWLSCSKDSA-N 1 0 294.351 1.657 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]CCSCCCO)cs1 ZINC000105643381 186067438 /nfs/dbraw/zinc/06/74/38/186067438.db2.gz FFFOSEIHWLUOOH-UHFFFAOYSA-N 1 0 276.383 1.862 20 5 CDBDRO O=C1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCN1 ZINC000111826083 350500104 /nfs/dbraw/zinc/50/01/04/350500104.db2.gz QYWNDVZQSRTUJX-LBPRGKRZSA-N 1 0 277.324 1.396 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000236080428 362968704 /nfs/dbraw/zinc/96/87/04/362968704.db2.gz GQQQQAGQBFPJPT-LBPRGKRZSA-N 1 0 294.355 1.441 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NCC1CC[NH+](CCO)CC1 ZINC000108947195 186237283 /nfs/dbraw/zinc/23/72/83/186237283.db2.gz UQHBSUOXJXDJQR-UHFFFAOYSA-N 1 0 294.355 1.414 20 5 CDBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000454322161 252342321 /nfs/dbraw/zinc/34/23/21/252342321.db2.gz JXWXHZKXUZVFLL-SNVBAGLBSA-N 1 0 280.328 1.479 20 5 CDBDRO Cc1ccc(C(=O)N2CCCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000313344730 350834334 /nfs/dbraw/zinc/83/43/34/350834334.db2.gz QFFGOXMPDDDXEW-LBPRGKRZSA-N 1 0 293.323 1.093 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCOCC1 ZINC000364649159 363084109 /nfs/dbraw/zinc/08/41/09/363084109.db2.gz SOGKPFOBFPBRCI-GFCCVEGCSA-N 1 0 296.323 1.057 20 5 CDBDRO Cc1cc(C(=O)NCC(C)(C)[NH3+])ccc1[N+](=O)[O-] ZINC000122280123 187024344 /nfs/dbraw/zinc/02/43/44/187024344.db2.gz CHTLJZGQTJDOJO-UHFFFAOYSA-N 1 0 251.286 1.370 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000122546061 187037479 /nfs/dbraw/zinc/03/74/79/187037479.db2.gz OHGBUETYKADMPB-JTQLQIEISA-N 1 0 283.715 1.812 20 5 CDBDRO COc1ccc(NC(=O)C(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000136479911 363110474 /nfs/dbraw/zinc/11/04/74/363110474.db2.gz SETIRELPLKSROB-UHFFFAOYSA-N 1 0 253.258 1.279 20 5 CDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135235750 187809922 /nfs/dbraw/zinc/80/99/22/187809922.db2.gz LWXQONLYWPZIBP-LBPRGKRZSA-N 1 0 279.340 1.627 20 5 CDBDRO C[C@@H](CCCC[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000292192610 198196206 /nfs/dbraw/zinc/19/62/06/198196206.db2.gz XPVMBKJHYGBATP-VIFPVBQESA-N 1 0 280.328 1.424 20 5 CDBDRO CO[C@H]1CCCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000361762930 358475112 /nfs/dbraw/zinc/47/51/12/358475112.db2.gz FRLVAXSDYFEHCN-MNOVXSKESA-N 1 0 268.317 1.339 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000156868797 188284882 /nfs/dbraw/zinc/28/48/82/188284882.db2.gz OJGGBSFJHFLBAJ-RKDXNWHRSA-N 1 0 251.286 1.194 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)c1csc([N+](=O)[O-])c1 ZINC000295178205 199389386 /nfs/dbraw/zinc/38/93/86/199389386.db2.gz HDAMWCMFWBGPNX-SSDOTTSWSA-N 1 0 257.315 1.514 20 5 CDBDRO CN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])[C@H](C[NH3+])C1CC1 ZINC000384844232 366135272 /nfs/dbraw/zinc/13/52/72/366135272.db2.gz WPULQKHRSHLHMO-QIAWRQBBSA-N 1 0 289.335 1.804 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365363757 363354920 /nfs/dbraw/zinc/35/49/20/363354920.db2.gz WYSKUFOAQPUGMD-GXFFZTMASA-N 1 0 275.308 1.419 20 5 CDBDRO COC[C@@H]1C[C@H](O)CN1Cc1ccc([N+](=O)[O-])cc1OC ZINC000411905824 363375962 /nfs/dbraw/zinc/37/59/62/363375962.db2.gz CKOZDBJZZAUGFO-STQMWFEESA-N 1 0 296.323 1.185 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)[C@H]2CCCOC2)cc1 ZINC000411984270 363396251 /nfs/dbraw/zinc/39/62/51/363396251.db2.gz CKWYEWKZVAPKOJ-GXTWGEPZSA-N 1 0 280.324 1.472 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000131843254 356184779 /nfs/dbraw/zinc/18/47/79/356184779.db2.gz PCIQZZXZPIOMES-ZJUUUORDSA-N 1 0 263.297 1.404 20 5 CDBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000304508315 356280590 /nfs/dbraw/zinc/28/05/90/356280590.db2.gz HKWHNUURSBUOFY-OLZOCXBDSA-N 1 0 282.344 1.417 20 5 CDBDRO CCC[C@H]([NH3+])c1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000229925836 356313562 /nfs/dbraw/zinc/31/35/62/356313562.db2.gz QJRRWAHBGPAACE-NSHDSACASA-N 1 0 261.285 1.975 20 5 CDBDRO NC(=O)Cc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000608982574 356321039 /nfs/dbraw/zinc/32/10/39/356321039.db2.gz SAZODOZBOPPJAH-UHFFFAOYSA-N 1 0 299.330 1.912 20 5 CDBDRO CC(C)(C[NH+]1CCCC1)Nc1ncc([N+](=O)[O-])cn1 ZINC000308669911 356332162 /nfs/dbraw/zinc/33/21/62/356332162.db2.gz XFUQAABMBGXEOT-UHFFFAOYSA-N 1 0 265.317 1.671 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](CO)C1CCOCC1 ZINC000359865354 356429367 /nfs/dbraw/zinc/42/93/67/356429367.db2.gz AXEQNIYZTLQKIX-ZDUSSCGKSA-N 1 0 298.314 1.611 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCC(N)=O ZINC000286484403 356769753 /nfs/dbraw/zinc/76/97/53/356769753.db2.gz OODPVZKZCGKIOY-UHFFFAOYSA-N 1 0 281.312 1.301 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC(C)(C)[NH3+])c1 ZINC000360131562 356822218 /nfs/dbraw/zinc/82/22/18/356822218.db2.gz CUUHXDVPJYYDJQ-UHFFFAOYSA-N 1 0 267.285 1.531 20 5 CDBDRO O=[N+]([O-])c1c2cccnc2ccc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000083420303 357217175 /nfs/dbraw/zinc/21/71/75/357217175.db2.gz UQAJXDNUQCSYSW-QWRGUYRKSA-N 1 0 284.319 1.799 20 5 CDBDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331289421 357337507 /nfs/dbraw/zinc/33/75/07/357337507.db2.gz NYHBPEZXYBPZKS-NTZNESFSSA-N 1 0 282.344 1.273 20 5 CDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000181918007 357390118 /nfs/dbraw/zinc/39/01/18/357390118.db2.gz OPDNXVCNMVTOEO-GFCCVEGCSA-N 1 0 280.324 1.819 20 5 CDBDRO Cc1c(CNC(=O)C[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000360528686 357416601 /nfs/dbraw/zinc/41/66/01/357416601.db2.gz MRXPZGDKCPUIHN-UHFFFAOYSA-N 1 0 279.340 1.860 20 5 CDBDRO Cc1c(C[NH2+]C[C@@H](C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000566123823 357423305 /nfs/dbraw/zinc/42/33/05/357423305.db2.gz PNFFBOMMVUHAGQ-SECBINFHSA-N 1 0 286.353 1.426 20 5 CDBDRO C[NH+](C)CC1(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CCCC1 ZINC000185081746 357506892 /nfs/dbraw/zinc/50/68/92/357506892.db2.gz ZLDQPIDHOKPINZ-UHFFFAOYSA-N 1 0 295.343 1.170 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)CC[NH+]1CCCC1 ZINC000360913610 357743138 /nfs/dbraw/zinc/74/31/38/357743138.db2.gz KUZOZZWZANSMKT-UHFFFAOYSA-N 1 0 281.360 1.652 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000360918070 357749546 /nfs/dbraw/zinc/74/95/46/357749546.db2.gz FLGSRQAKBQZSJI-LBPRGKRZSA-N 1 0 295.387 1.898 20 5 CDBDRO Cc1cc(C(=O)N2CC[NH2+][C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000135231444 357799277 /nfs/dbraw/zinc/79/92/77/357799277.db2.gz TYBJAGZTCKGALQ-SNVBAGLBSA-N 1 0 263.297 1.337 20 5 CDBDRO CN(CC1([NH+](C)C)CCC1)c1ncc([N+](=O)[O-])s1 ZINC000192543797 358214680 /nfs/dbraw/zinc/21/46/80/358214680.db2.gz JJMGCCZTZXRERO-UHFFFAOYSA-N 1 0 270.358 1.972 20 5 CDBDRO Cn1cnc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000588926922 358271214 /nfs/dbraw/zinc/27/12/14/358271214.db2.gz CPMNZTIORXBVKR-UHFFFAOYSA-N 1 0 260.297 1.661 20 5 CDBDRO COC(=O)Cc1ccc(N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000294827568 199200917 /nfs/dbraw/zinc/20/09/17/199200917.db2.gz ABSHTUVDYUOKEH-JTQLQIEISA-N 1 0 295.339 1.672 20 5 CDBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[NH2+]CC1 ZINC000195103498 358410525 /nfs/dbraw/zinc/41/05/25/358410525.db2.gz YTDGJZVKAMZZMR-UHFFFAOYSA-N 1 0 291.332 1.855 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCN2CCC(O)CC2)c1 ZINC000294917573 199247371 /nfs/dbraw/zinc/24/73/71/199247371.db2.gz SUIJAROZPJQFTM-UHFFFAOYSA-N 1 0 279.340 1.141 20 5 CDBDRO C[C@H]([NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000159144153 358668482 /nfs/dbraw/zinc/66/84/82/358668482.db2.gz OBCAAHSOFDQNJW-JTQLQIEISA-N 1 0 265.313 1.381 20 5 CDBDRO CC[C@@H](NC(=O)CC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000236891750 358755109 /nfs/dbraw/zinc/75/51/09/358755109.db2.gz IWGMXLUQRUDQQP-LLVKDONJSA-N 1 0 251.286 1.511 20 5 CDBDRO CCOC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176215664 358742191 /nfs/dbraw/zinc/74/21/91/358742191.db2.gz INMRLSYENVURMN-UHFFFAOYSA-N 1 0 268.317 1.292 20 5 CDBDRO CNC(=O)CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439960 358876826 /nfs/dbraw/zinc/87/68/26/358876826.db2.gz QTNKLCMYOUASGW-UHFFFAOYSA-N 1 0 271.704 1.474 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(OC[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000290495092 366530829 /nfs/dbraw/zinc/53/08/29/366530829.db2.gz AGBPAGWHMHNZFB-LBPRGKRZSA-N 1 0 280.324 1.737 20 5 CDBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])c[nH]1)[NH+]1CCCCC1 ZINC000342433819 359052504 /nfs/dbraw/zinc/05/25/04/359052504.db2.gz LJSMXJWEQIBSOP-LLVKDONJSA-N 1 0 294.355 1.917 20 5 CDBDRO CC(C)[C@@H]([NH3+])C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000353082145 359143203 /nfs/dbraw/zinc/14/32/03/359143203.db2.gz AIFIMILRWAQNBO-GFCCVEGCSA-N 1 0 280.328 1.106 20 5 CDBDRO CC1(C)CN(c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000302544779 359163791 /nfs/dbraw/zinc/16/37/91/359163791.db2.gz OSFDNEUFVQUBPV-UHFFFAOYSA-N 1 0 279.340 1.488 20 5 CDBDRO CC(C)[C@]1(CO)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000339702144 359431338 /nfs/dbraw/zinc/43/13/38/359431338.db2.gz RYEOIBPYKSGOQH-CQSZACIVSA-N 1 0 296.371 1.522 20 5 CDBDRO Cc1nc(NCC[N@H+]2CC=CCC2)ncc1[N+](=O)[O-] ZINC000296869668 200021233 /nfs/dbraw/zinc/02/12/33/200021233.db2.gz WAMQKCPUWUCMSC-UHFFFAOYSA-N 1 0 263.301 1.367 20 5 CDBDRO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C[NH+](C)C ZINC000341232778 366535901 /nfs/dbraw/zinc/53/59/01/366535901.db2.gz YVVLHIGBAYPRRO-VIFPVBQESA-N 1 0 283.303 1.661 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000063193321 360082784 /nfs/dbraw/zinc/08/27/84/360082784.db2.gz KUIMQPULQIAAKW-RISCZKNCSA-N 1 0 291.351 1.866 20 5 CDBDRO C[NH2+]CC1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000514863562 360238888 /nfs/dbraw/zinc/23/88/88/360238888.db2.gz BHXDJAZKLBGNTB-UHFFFAOYSA-N 1 0 292.339 1.249 20 5 CDBDRO CS[C@H]1CN(c2ncccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270412886 360499124 /nfs/dbraw/zinc/49/91/24/360499124.db2.gz XYCDGCVVNLMQMT-MNOVXSKESA-N 1 0 282.369 1.472 20 5 CDBDRO COc1ccc(CN2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000054374297 360659528 /nfs/dbraw/zinc/65/95/28/360659528.db2.gz BVFAYTKUJUPGDO-JTQLQIEISA-N 1 0 265.313 1.397 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000178544504 189125720 /nfs/dbraw/zinc/12/57/20/189125720.db2.gz KYGURTHQFDRFHR-QMMMGPOBSA-N 1 0 283.715 1.669 20 5 CDBDRO CC(C)[C@@H](C[NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000087522928 360787252 /nfs/dbraw/zinc/78/72/52/360787252.db2.gz XYSFGOJHLXXFFH-GFCCVEGCSA-N 1 0 265.313 1.442 20 5 CDBDRO Cc1sc(C(=O)N(C)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000179090644 189168419 /nfs/dbraw/zinc/16/84/19/189168419.db2.gz IRIOXCMRKCOFKZ-QMMMGPOBSA-N 1 0 269.326 1.399 20 5 CDBDRO O=C(NCCC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000036262669 361375762 /nfs/dbraw/zinc/37/57/62/361375762.db2.gz UNDVIYUQIYBMLT-UHFFFAOYSA-N 1 0 263.297 1.467 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000519535934 361378584 /nfs/dbraw/zinc/37/85/84/361378584.db2.gz CYRGKYHZZKWVCK-JTQLQIEISA-N 1 0 295.339 1.118 20 5 CDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000268294129 364628366 /nfs/dbraw/zinc/62/83/66/364628366.db2.gz ZXTAGFUTIVEWGF-GZMMTYOYSA-N 1 0 278.312 1.135 20 5 CDBDRO C[NH+](C)CCCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000072510413 364878540 /nfs/dbraw/zinc/87/85/40/364878540.db2.gz BBAXQVVSELTDLO-UHFFFAOYSA-N 1 0 297.380 1.755 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000109066709 364907322 /nfs/dbraw/zinc/90/73/22/364907322.db2.gz ZBIIFLBZIOFIKK-UWVGGRQHSA-N 1 0 263.297 1.417 20 5 CDBDRO O=C(C[C@@H]1CC[NH2+]C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000190066460 283860046 /nfs/dbraw/zinc/86/00/46/283860046.db2.gz IKKZYOKPVUSZKM-JTQLQIEISA-N 1 0 275.308 1.484 20 5 CDBDRO O=[N+]([O-])c1cc(C[N@@H+](CCO)C2CCOCC2)cs1 ZINC000275671633 193101824 /nfs/dbraw/zinc/10/18/24/193101824.db2.gz ZBOUDXBEHGBUTQ-UHFFFAOYSA-N 1 0 286.353 1.630 20 5 CDBDRO CC[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000270944243 366947699 /nfs/dbraw/zinc/94/76/99/366947699.db2.gz RXUNTRXKNSYZPN-HONMWMINSA-N 1 0 280.324 1.331 20 5 CDBDRO C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000076116324 366984349 /nfs/dbraw/zinc/98/43/49/366984349.db2.gz LGXRBMMZYXGHFR-YPMHNXCESA-N 1 0 280.324 1.819 20 5 CDBDRO Cc1ccc(NC(=O)NCC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000414657579 241305889 /nfs/dbraw/zinc/30/58/89/241305889.db2.gz KNSWUCBAMACKJG-VIFPVBQESA-N 1 0 266.301 1.762 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]([NH3+])C(C)C ZINC000414659412 241308489 /nfs/dbraw/zinc/30/84/89/241308489.db2.gz SIYCBCQLLBNBDY-SNVBAGLBSA-N 1 0 296.327 1.708 20 5 CDBDRO Cc1ccc(NC(=O)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414665822 241312076 /nfs/dbraw/zinc/31/20/76/241312076.db2.gz VMZQDJILJPCQJB-LLVKDONJSA-N 1 0 278.312 1.777 20 5 CDBDRO COc1cccc(C(=O)NCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000444035374 367153376 /nfs/dbraw/zinc/15/33/76/367153376.db2.gz VTZFITZFFZLTBU-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000415505758 241706128 /nfs/dbraw/zinc/70/61/28/241706128.db2.gz QMQQYMYDWRADOM-LLVKDONJSA-N 1 0 294.311 1.462 20 5 CDBDRO CCc1ccc(C(=O)NCCC[NH2+]C)cc1[N+](=O)[O-] ZINC000121647544 367495503 /nfs/dbraw/zinc/49/55/03/367495503.db2.gz RGPNTRKBQOLCRA-UHFFFAOYSA-N 1 0 265.313 1.497 20 5 CDBDRO C[NH2+]CCCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417128041 242329424 /nfs/dbraw/zinc/32/94/24/242329424.db2.gz HOGAIBYZSNYJBW-SNVBAGLBSA-N 1 0 280.328 1.565 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417145248 242336299 /nfs/dbraw/zinc/33/62/99/242336299.db2.gz WVXOWWXLCAJPLB-KOLCDFICSA-N 1 0 280.328 1.692 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000272303247 367677081 /nfs/dbraw/zinc/67/70/81/367677081.db2.gz QVXPVGSIVGQQFB-ZJUUUORDSA-N 1 0 292.339 1.295 20 5 CDBDRO C[C@@H]([NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161975936 367907966 /nfs/dbraw/zinc/90/79/66/367907966.db2.gz UYOSIKZULUEOQT-SNVBAGLBSA-N 1 0 293.323 1.312 20 5 CDBDRO O=C(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)NC1CCCC1 ZINC000037668613 368162220 /nfs/dbraw/zinc/16/22/20/368162220.db2.gz FLGNWSMXDMLASA-UHFFFAOYSA-N 1 0 277.324 1.743 20 5 CDBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cc(F)ccc1[N+](=O)[O-] ZINC000368382564 284019686 /nfs/dbraw/zinc/01/96/86/284019686.db2.gz ZKBUJDMMOQFBCY-GFCCVEGCSA-N 1 0 293.298 1.606 20 5 CDBDRO C[NH2+]C[C@@H](C)CNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000420187062 243911716 /nfs/dbraw/zinc/91/17/16/243911716.db2.gz DBMAJIKVSDUCBF-MRVPVSSYSA-N 1 0 282.300 1.044 20 5 CDBDRO NC(=O)c1ccc(NC[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420268095 244000399 /nfs/dbraw/zinc/00/03/99/244000399.db2.gz ABQQFTCIGYZATM-ONGXEEELSA-N 1 0 292.339 1.623 20 5 CDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1ccc([N+](=O)[O-])cn1 ZINC000420290675 244034330 /nfs/dbraw/zinc/03/43/30/244034330.db2.gz UVSCSWPBXVBFNM-HMKSTLMESA-N 1 0 262.313 1.918 20 5 CDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330703037 203134290 /nfs/dbraw/zinc/13/42/90/203134290.db2.gz PJLNUIHVIAYVDW-JTQLQIEISA-N 1 0 280.328 1.527 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CC([NH3+])C1 ZINC000295349928 370023791 /nfs/dbraw/zinc/02/37/91/370023791.db2.gz YSYJTVDRVADGSC-UHFFFAOYSA-N 1 0 263.297 1.465 20 5 CDBDRO COc1cccc(C(=O)NC[C@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000422845204 245325051 /nfs/dbraw/zinc/32/50/51/245325051.db2.gz BABRILCLYMDGCV-JTQLQIEISA-N 1 0 281.312 1.317 20 5 CDBDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000188483494 376205154 /nfs/dbraw/zinc/20/51/54/376205154.db2.gz DXPOMJFTDPCUDY-SNVBAGLBSA-N 1 0 265.313 1.551 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000170913973 372031903 /nfs/dbraw/zinc/03/19/03/372031903.db2.gz KAGXDJLBKGLQLS-MRVPVSSYSA-N 1 0 269.326 1.338 20 5 CDBDRO Cc1cc(N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000266451655 372833708 /nfs/dbraw/zinc/83/37/08/372833708.db2.gz XKHSZVZIRMUYSM-OLZOCXBDSA-N 1 0 293.367 1.795 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000189311751 373279821 /nfs/dbraw/zinc/27/98/21/373279821.db2.gz OWDXCDGOOHMMHW-VXNVDRBHSA-N 1 0 269.326 1.527 20 5 CDBDRO CC[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000301378354 373511220 /nfs/dbraw/zinc/51/12/20/373511220.db2.gz XKTRZFINMFEDEN-AWEZNQCLSA-N 1 0 293.367 1.796 20 5 CDBDRO COCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369670312 374359943 /nfs/dbraw/zinc/35/99/43/374359943.db2.gz LGGRWOBVBGRSTL-UHFFFAOYSA-N 1 0 254.290 1.075 20 5 CDBDRO CC(C)c1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000370386600 374392127 /nfs/dbraw/zinc/39/21/27/374392127.db2.gz IVCABRLYLDITEP-OLZOCXBDSA-N 1 0 294.351 1.646 20 5 CDBDRO Cc1sc(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000370165447 374381204 /nfs/dbraw/zinc/38/12/04/374381204.db2.gz VLJZEXRZWLXUCH-ZJUUUORDSA-N 1 0 295.364 1.789 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000423530187 374387633 /nfs/dbraw/zinc/38/76/33/374387633.db2.gz WONOWGGOUKSVDD-AAEUAGOBSA-N 1 0 279.340 1.542 20 5 CDBDRO C[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccc([N+](=O)[O-])cc1 ZINC000079927699 374430675 /nfs/dbraw/zinc/43/06/75/374430675.db2.gz GUCLOWLAODBYCW-ONGXEEELSA-N 1 0 263.297 1.524 20 5 CDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[NH3+] ZINC000424013148 246288716 /nfs/dbraw/zinc/28/87/16/246288716.db2.gz VNUGSAAVDXOMQG-VIFPVBQESA-N 1 0 283.353 1.493 20 5 CDBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000070149189 374651177 /nfs/dbraw/zinc/65/11/77/374651177.db2.gz OMJUWHJGUINBIN-SECBINFHSA-N 1 0 266.301 1.266 20 5 CDBDRO CCc1ccc(C(=O)NC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000130158042 374653470 /nfs/dbraw/zinc/65/34/70/374653470.db2.gz RKCGUTLFJKIXGQ-NSHDSACASA-N 1 0 291.351 1.887 20 5 CDBDRO COc1cc(C(=O)NC[C@@H](C)[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000276657087 374739728 /nfs/dbraw/zinc/73/97/28/374739728.db2.gz ZQRWZLNRZLLQLB-SECBINFHSA-N 1 0 295.339 1.592 20 5 CDBDRO C[C@H]1C[N@H+](CCCNc2ncc([N+](=O)[O-])cn2)CCCO1 ZINC000277670931 374801904 /nfs/dbraw/zinc/80/19/04/374801904.db2.gz PSKFJXFEVNBTCY-NSHDSACASA-N 1 0 295.343 1.298 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCN2CCCO)cc1 ZINC000449384667 374803708 /nfs/dbraw/zinc/80/37/08/374803708.db2.gz CFYKRLQSKRZCSZ-HNNXBMFYSA-N 1 0 293.367 1.531 20 5 CDBDRO COCC(COC)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449532493 374817985 /nfs/dbraw/zinc/81/79/85/374817985.db2.gz AJSJSHDCCVUSCX-ALCCZGGFSA-N 1 0 280.324 1.859 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000124765235 374846064 /nfs/dbraw/zinc/84/60/64/374846064.db2.gz DYPFNCLIGXHIQA-GXSJLCMTSA-N 1 0 263.297 1.547 20 5 CDBDRO C[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000330443610 374854021 /nfs/dbraw/zinc/85/40/21/374854021.db2.gz WIQNRJQPVSXUTQ-UHFFFAOYSA-N 1 0 280.328 1.385 20 5 CDBDRO CC[NH+]1C[C@H](C)N(Cc2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000331338851 374934844 /nfs/dbraw/zinc/93/48/44/374934844.db2.gz JNMKXOSHURGFOH-QWRGUYRKSA-N 1 0 281.360 1.243 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@]1(C)CCCO ZINC000332668139 375042456 /nfs/dbraw/zinc/04/24/56/375042456.db2.gz QAOWJIARNCGJRH-CYBMUJFWSA-N 1 0 282.344 1.455 20 5 CDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000096268640 375069418 /nfs/dbraw/zinc/06/94/18/375069418.db2.gz NKCPEVLMQRPOHR-HNNXBMFYSA-N 1 0 289.335 1.763 20 5 CDBDRO COCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284139884 375130200 /nfs/dbraw/zinc/13/02/00/375130200.db2.gz ORMNAKNGKXGTFE-QMTHXVAHSA-N 1 0 297.355 1.615 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CCn1ccc(=O)c([N+](=O)[O-])c1 ZINC000284189506 375131313 /nfs/dbraw/zinc/13/13/13/375131313.db2.gz KMORFRBWOAAJLH-LLVKDONJSA-N 1 0 265.313 1.631 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000161969862 375245468 /nfs/dbraw/zinc/24/54/68/375245468.db2.gz PQTIHOKFESWXIL-NWDGAFQWSA-N 1 0 277.324 1.523 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000162040612 375261813 /nfs/dbraw/zinc/26/18/13/375261813.db2.gz UMWKDXKIGGTHQK-MNOVXSKESA-N 1 0 293.323 1.360 20 5 CDBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000344735600 375358109 /nfs/dbraw/zinc/35/81/09/375358109.db2.gz XDOGRZWAADFJEE-LLVKDONJSA-N 1 0 294.355 1.773 20 5 CDBDRO CC[C@@H](CNc1ncc([N+](=O)[O-])c(C)n1)[NH+]1CCCC1 ZINC000296285752 375408497 /nfs/dbraw/zinc/40/84/97/375408497.db2.gz HMTYKYSGVICQDJ-NSHDSACASA-N 1 0 279.344 1.980 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H](O)C(F)F ZINC000344766325 375431254 /nfs/dbraw/zinc/43/12/54/375431254.db2.gz XMCFQDUEAKDRHL-JOAKQRRISA-N 1 0 272.251 1.824 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1COC[C@H]1O ZINC000352815719 375539945 /nfs/dbraw/zinc/53/99/45/375539945.db2.gz MTXTUTMVCXYEFF-QWHCGFSZSA-N 1 0 296.323 1.185 20 5 CDBDRO CCCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000132665062 375559513 /nfs/dbraw/zinc/55/95/13/375559513.db2.gz VNACDVFCXTUFSJ-LBPRGKRZSA-N 1 0 295.314 1.948 20 5 CDBDRO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000132734628 375581617 /nfs/dbraw/zinc/58/16/17/375581617.db2.gz TYILZPYWPVIDCE-QMMMGPOBSA-N 1 0 267.260 1.168 20 5 CDBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 ZINC000294078941 375664754 /nfs/dbraw/zinc/66/47/54/375664754.db2.gz JNHHNYRMLQJQNT-CQSZACIVSA-N 1 0 292.339 1.481 20 5 CDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1C ZINC000354423220 375707746 /nfs/dbraw/zinc/70/77/46/375707746.db2.gz IGLLLUCMSPBQHK-GHMZBOCLSA-N 1 0 294.355 1.868 20 5 CDBDRO CC[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000228393674 375755019 /nfs/dbraw/zinc/75/50/19/375755019.db2.gz NLYZTBFTKZVPEA-GXTWGEPZSA-N 1 0 291.351 1.723 20 5 CDBDRO C[C@@H](O)CCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000354870734 375757154 /nfs/dbraw/zinc/75/71/54/375757154.db2.gz KPPDUDABNDQPIF-CYBMUJFWSA-N 1 0 293.367 1.878 20 5 CDBDRO COc1cc(OC[C@@H](O)C[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000357455261 375911046 /nfs/dbraw/zinc/91/10/46/375911046.db2.gz PWQSTUJDEZIVAK-NSHDSACASA-N 1 0 296.323 1.437 20 5 CDBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000032048707 375868050 /nfs/dbraw/zinc/86/80/50/375868050.db2.gz BWUHMNGSCBCKSC-UHFFFAOYSA-N 1 0 269.688 1.294 20 5 CDBDRO COCC[N@H+](CCO)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347376217 376056974 /nfs/dbraw/zinc/05/69/74/376056974.db2.gz ZYNVXWKDAYYVET-RAXLEYEMSA-N 1 0 294.351 1.939 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000171137990 376217176 /nfs/dbraw/zinc/21/71/76/376217176.db2.gz LNWIMJXXERVKDK-UHFFFAOYSA-N 1 0 271.342 1.726 20 5 CDBDRO CCOc1cc(N(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000486962990 376329627 /nfs/dbraw/zinc/32/96/27/376329627.db2.gz FTIPHPGOXZHITA-UHFFFAOYSA-N 1 0 267.329 1.991 20 5 CDBDRO C[C@@H](O)CC[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248372666 376297577 /nfs/dbraw/zinc/29/75/77/376297577.db2.gz BPDWVVPHNSXPMY-VXGBXAGGSA-N 1 0 298.339 1.037 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000171193668 376398852 /nfs/dbraw/zinc/39/88/52/376398852.db2.gz LCZCQGRBMJHERL-CYBMUJFWSA-N 1 0 292.339 1.488 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[NH+](C)C ZINC000294270171 377078834 /nfs/dbraw/zinc/07/88/34/377078834.db2.gz HBTUTSPXPFSRSV-JTQLQIEISA-N 1 0 295.339 1.673 20 5 CDBDRO CC(C)(C)[NH2+]CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000172624541 377658406 /nfs/dbraw/zinc/65/84/06/377658406.db2.gz BCMQIQMMUXMXTR-UHFFFAOYSA-N 1 0 271.342 1.774 20 5 CDBDRO Cc1c(C(=O)N(C)C2(C[NH3+])CCC2)cccc1[N+](=O)[O-] ZINC000385569959 377817674 /nfs/dbraw/zinc/81/76/74/377817674.db2.gz ZPNWEFSWIPETOE-UHFFFAOYSA-N 1 0 277.324 1.857 20 5 CDBDRO C[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000266869216 378083037 /nfs/dbraw/zinc/08/30/37/378083037.db2.gz MSDKNKCMPQIAKX-DOMZBBRYSA-N 1 0 293.367 1.702 20 5 CDBDRO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000266940275 378874703 /nfs/dbraw/zinc/87/47/03/378874703.db2.gz PRKXKWVJMFOCCQ-GHMZBOCLSA-N 1 0 252.318 1.912 20 5 CDBDRO O=[N+]([O-])c1cnc(NCC2CC[NH+](C3CC3)CC2)nc1 ZINC000277619098 379005379 /nfs/dbraw/zinc/00/53/79/379005379.db2.gz BTCPIGSJMAGKTN-UHFFFAOYSA-N 1 0 277.328 1.671 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](CCO)C3CCC3)nc2c1 ZINC000444682081 250165668 /nfs/dbraw/zinc/16/56/68/250165668.db2.gz YOKMEXJOHGDPGL-UHFFFAOYSA-N 1 0 290.323 1.818 20 5 CDBDRO CC1(C)CCCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000446060548 250260473 /nfs/dbraw/zinc/26/04/73/250260473.db2.gz MSDOKALAOJISSF-ZDUSSCGKSA-N 1 0 296.371 1.664 20 5 CDBDRO COC[C@H](CCO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447541593 250383514 /nfs/dbraw/zinc/38/35/14/250383514.db2.gz MZXFBXVYMXGTCF-WFASDCNBSA-N 1 0 294.351 1.959 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000041028376 379245995 /nfs/dbraw/zinc/24/59/95/379245995.db2.gz MCEHROWISCOHAZ-NNNHXZLVSA-N 1 0 275.308 1.558 20 5 CDBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCS1 ZINC000174846838 379592530 /nfs/dbraw/zinc/59/25/30/379592530.db2.gz JFJFPVZDBVLMNB-SECBINFHSA-N 1 0 256.331 1.229 20 5 CDBDRO Cc1c(C[N@@H+]2CCC[C@H](CC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000175212344 379660834 /nfs/dbraw/zinc/66/08/34/379660834.db2.gz RESYSBZMWJZAFN-GFCCVEGCSA-N 1 0 291.351 1.991 20 5 CDBDRO COC[C@@H](O)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449205108 250746441 /nfs/dbraw/zinc/74/64/41/250746441.db2.gz KXGUPLLSWYZNSB-YPMHNXCESA-N 1 0 282.340 1.513 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000449637611 250944412 /nfs/dbraw/zinc/94/44/12/250944412.db2.gz GZFBIFNLZPBTIV-PSASIEDQSA-N 1 0 283.353 1.904 20 5 CDBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000459770044 252776787 /nfs/dbraw/zinc/77/67/87/252776787.db2.gz GWTSUMVWOODVAL-ICCXJUOJSA-N 1 0 289.335 1.972 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289312888 197293356 /nfs/dbraw/zinc/29/33/56/197293356.db2.gz TYKSAESHRGQSNY-ZDUSSCGKSA-N 1 0 279.296 1.404 20 5 CDBDRO Cc1cn(CCC[NH+]2CCCCC2)nc1[N+](=O)[O-] ZINC000288757523 197159687 /nfs/dbraw/zinc/15/96/87/197159687.db2.gz YQRPCIXJSIVZDS-UHFFFAOYSA-N 1 0 252.318 1.976 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000281632132 195315856 /nfs/dbraw/zinc/31/58/56/195315856.db2.gz IJMISLUKHYVSLH-GHMZBOCLSA-N 1 0 268.317 1.291 20 5 CDBDRO C[NH+](C)C1(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC1 ZINC000097934366 390417485 /nfs/dbraw/zinc/41/74/85/390417485.db2.gz YFXRMXYTLBYVDM-UHFFFAOYSA-N 1 0 292.339 1.590 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)c2c([N+](=O)[O-])ncn2C)C1 ZINC000450948674 390578955 /nfs/dbraw/zinc/57/89/55/390578955.db2.gz HDVYWCKTIDKODG-SNVBAGLBSA-N 1 0 267.333 1.247 20 5 CDBDRO COC[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000452047324 390663665 /nfs/dbraw/zinc/66/36/65/390663665.db2.gz ZSYGHAGJKAUNEE-LLVKDONJSA-N 1 0 268.317 1.292 20 5 CDBDRO CCO[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C12CCC2 ZINC000451474912 390625785 /nfs/dbraw/zinc/62/57/85/390625785.db2.gz QZCHILLHNHNQNG-RYUDHWBXSA-N 1 0 294.355 1.766 20 5 CDBDRO CC(C)[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@@H](CO)C(C)C ZINC000451589762 390633228 /nfs/dbraw/zinc/63/32/28/390633228.db2.gz ASYPCQXCDCAFDT-WCQYABFASA-N 1 0 298.387 1.707 20 5 CDBDRO CC[C@@H](CO)[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451156929 390603313 /nfs/dbraw/zinc/60/33/13/390603313.db2.gz UHIFQCWAIAPCOJ-NSHDSACASA-N 1 0 295.339 1.544 20 5 CDBDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000362808299 390867959 /nfs/dbraw/zinc/86/79/59/390867959.db2.gz ZFZCDIWLXMULEX-JQWIXIFHSA-N 1 0 289.335 1.682 20 5 CDBDRO CCO[C@@H]1COC[C@H]1NCc1cc([N+](=O)[O-])ccc1OC ZINC000451943316 390951929 /nfs/dbraw/zinc/95/19/29/390951929.db2.gz IVFYXBZKTXMSHW-TZMCWYRMSA-N 1 0 296.323 1.497 20 5 CDBDRO COC[C@@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000452096677 391018990 /nfs/dbraw/zinc/01/89/90/391018990.db2.gz YMDMQZLTCSDYCW-LLVKDONJSA-N 1 0 282.344 1.577 20 5 CDBDRO Cc1cc(C(=O)NCC2([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000416287593 391252980 /nfs/dbraw/zinc/25/29/80/391252980.db2.gz FFSPTBBDZUYBEN-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000415293996 391278860 /nfs/dbraw/zinc/27/88/60/391278860.db2.gz JYRHPLSNUSSUHO-JTQLQIEISA-N 1 0 278.312 1.695 20 5 CDBDRO C[NH+](C)CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268246386 391304607 /nfs/dbraw/zinc/30/46/07/391304607.db2.gz NVILATTWTWWZKE-UHFFFAOYSA-N 1 0 271.704 1.426 20 5 CDBDRO CC(C)[NH+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000439101935 391407535 /nfs/dbraw/zinc/40/75/35/391407535.db2.gz WOUBPAGAWVPHDC-UHFFFAOYSA-N 1 0 292.339 1.224 20 5 CDBDRO Cc1cc(NC(=O)N[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000415420593 391407628 /nfs/dbraw/zinc/40/76/28/391407628.db2.gz TXZKOEASBYGDFW-SNVBAGLBSA-N 1 0 264.285 1.387 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415377714 391376683 /nfs/dbraw/zinc/37/66/83/391376683.db2.gz BKEYRZXJALVQQI-GXSJLCMTSA-N 1 0 293.327 1.145 20 5 CDBDRO Cc1ccc(OC[C@H](O)C[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000290780865 391378469 /nfs/dbraw/zinc/37/84/69/391378469.db2.gz MYVXNZQMGAULTL-GFCCVEGCSA-N 1 0 280.324 1.737 20 5 CDBDRO C[NH2+]CCN(C)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000415576309 391467305 /nfs/dbraw/zinc/46/73/05/391467305.db2.gz FZIXNQVYFNYOPX-UHFFFAOYSA-N 1 0 280.328 1.895 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000415509860 391468325 /nfs/dbraw/zinc/46/83/25/391468325.db2.gz XORSYLOHMXNTKN-LBPRGKRZSA-N 1 0 278.312 1.762 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415509753 391468367 /nfs/dbraw/zinc/46/83/67/391468367.db2.gz XFKOGAWGBOYZSP-SNVBAGLBSA-N 1 0 278.312 1.777 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415630340 391469568 /nfs/dbraw/zinc/46/95/68/391469568.db2.gz KPYQYVLPTPMPNW-VIFPVBQESA-N 1 0 282.275 1.607 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415635542 391470325 /nfs/dbraw/zinc/47/03/25/391470325.db2.gz UXMZYWFGWJNFMP-DTWKUNHWSA-N 1 0 296.302 1.935 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415634244 391470456 /nfs/dbraw/zinc/47/04/56/391470456.db2.gz SCPKOTYKELSGRY-RNFRBKRXSA-N 1 0 270.264 1.591 20 5 CDBDRO O=C(NCC1=CC[NH2+]CC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415631795 391470489 /nfs/dbraw/zinc/47/04/89/391470489.db2.gz NRUASVZXSPLBHV-UHFFFAOYSA-N 1 0 294.286 1.775 20 5 CDBDRO CN(CCOc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000574323716 391652238 /nfs/dbraw/zinc/65/22/38/391652238.db2.gz GUBUEQNDILXSLB-NSHDSACASA-N 1 0 265.313 1.267 20 5 CDBDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000341875177 130100787 /nfs/dbraw/zinc/10/07/87/130100787.db2.gz JIMSWXFKZKXBHO-CMPLNLGQSA-N 1 0 277.324 1.409 20 5 CDBDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000341984807 130209196 /nfs/dbraw/zinc/20/91/96/130209196.db2.gz MBRKAJNZASDSIT-GXFFZTMASA-N 1 0 277.324 1.409 20 5 CDBDRO C[NH+](C)C(C)(C)CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000040800688 392000888 /nfs/dbraw/zinc/00/08/88/392000888.db2.gz YONWNSGNMLFIGF-UHFFFAOYSA-N 1 0 283.303 1.804 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(CO)CCC2)c1 ZINC000184363764 391973880 /nfs/dbraw/zinc/97/38/80/391973880.db2.gz JCFSRKDZKUUJGF-UHFFFAOYSA-N 1 0 250.298 1.847 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000193552208 130633036 /nfs/dbraw/zinc/63/30/36/130633036.db2.gz YDQJHWJTJAKBED-WCBMZHEXSA-N 1 0 278.312 1.047 20 5 CDBDRO C[C@H]([NH2+]C1CC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000449185628 392076247 /nfs/dbraw/zinc/07/62/47/392076247.db2.gz GXXOEZNRIFAYPK-VIFPVBQESA-N 1 0 275.308 1.624 20 5 CDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ncccc1[N+](=O)[O-] ZINC000267773185 392214088 /nfs/dbraw/zinc/21/40/88/392214088.db2.gz XMKIIXXUUAKWCO-GHMZBOCLSA-N 1 0 264.329 1.766 20 5 CDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C[NH3+] ZINC000237256166 131018626 /nfs/dbraw/zinc/01/86/26/131018626.db2.gz UCIKDMIBEXGMTL-UHFFFAOYSA-N 1 0 257.677 1.165 20 5 CDBDRO Cc1ccc(NCCCNC(=O)C2([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000237666511 131051087 /nfs/dbraw/zinc/05/10/87/131051087.db2.gz OFTRETJCJJWHRO-UHFFFAOYSA-N 1 0 292.339 1.313 20 5 CDBDRO [NH3+]C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000237874998 131062469 /nfs/dbraw/zinc/06/24/69/131062469.db2.gz JNEWFYQROMPZSH-LBPRGKRZSA-N 1 0 295.364 1.540 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261580186 131153784 /nfs/dbraw/zinc/15/37/84/131153784.db2.gz FGDBVNCQAPGJCK-WCBMZHEXSA-N 1 0 281.337 1.480 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000262055151 131187759 /nfs/dbraw/zinc/18/77/59/131187759.db2.gz HWEAJPZFLCTWPX-QPUJVOFHSA-N 1 0 278.312 1.034 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000262816436 131264462 /nfs/dbraw/zinc/26/44/62/131264462.db2.gz PDBQNHVQIOZJCM-GXFFZTMASA-N 1 0 293.323 1.088 20 5 CDBDRO C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000266783417 131776922 /nfs/dbraw/zinc/77/69/22/131776922.db2.gz NSAFGNBWBOSOPH-HZMBPMFUSA-N 1 0 290.323 1.713 20 5 CDBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000488717185 392722295 /nfs/dbraw/zinc/72/22/95/392722295.db2.gz KUIZWLDHNFPYGW-VXGBXAGGSA-N 1 0 280.324 1.676 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(OC3CCC3)CC2)n1 ZINC000419280215 392888956 /nfs/dbraw/zinc/88/89/56/392888956.db2.gz DRYVDNZLAIGUFL-UHFFFAOYSA-N 1 0 294.355 1.825 20 5 CDBDRO C[NH2+]C[C@@H](C)CNc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000420185138 392901926 /nfs/dbraw/zinc/90/19/26/392901926.db2.gz BJPXJHKCHZNMNO-SNVBAGLBSA-N 1 0 295.339 1.578 20 5 CDBDRO Cc1nc(N[C@@H]2CCCC[C@@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000420206629 392903510 /nfs/dbraw/zinc/90/35/10/392903510.db2.gz STGVXXZRINLQAQ-NXEZZACHSA-N 1 0 265.317 1.623 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)N(C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000417851212 392874170 /nfs/dbraw/zinc/87/41/70/392874170.db2.gz NFNNTLXNTZIAHL-GHMZBOCLSA-N 1 0 294.355 1.953 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000423571259 392963871 /nfs/dbraw/zinc/96/38/71/392963871.db2.gz NLWBTWFDEVVRNY-NSHDSACASA-N 1 0 277.324 1.551 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000423639831 392965986 /nfs/dbraw/zinc/96/59/86/392965986.db2.gz FYIFXVJIOTXQBI-SKDRFNHKSA-N 1 0 293.323 1.555 20 5 CDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425049180 392986352 /nfs/dbraw/zinc/98/63/52/392986352.db2.gz OZQSAVFTJXKQLN-SMDDNHRTSA-N 1 0 289.335 1.761 20 5 CDBDRO COc1ccc(CN[C@@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000430560483 393100605 /nfs/dbraw/zinc/10/06/05/393100605.db2.gz WNENTQYESQDSOB-AWEZNQCLSA-N 1 0 279.340 1.820 20 5 CDBDRO C[NH2+][C@H]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430599345 393102897 /nfs/dbraw/zinc/10/28/97/393102897.db2.gz AJLOZWKXEIPDDR-NSHDSACASA-N 1 0 295.339 1.276 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]([NH3+])C1 ZINC000430599400 393103294 /nfs/dbraw/zinc/10/32/94/393103294.db2.gz ASRUYVRURXFQIT-NSHDSACASA-N 1 0 292.339 1.265 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]2CCO)c1 ZINC000426212285 393040152 /nfs/dbraw/zinc/04/01/52/393040152.db2.gz YGMVWMKQXFANRA-GFCCVEGCSA-N 1 0 280.324 1.820 20 5 CDBDRO C[NH2+]C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000430938766 393106652 /nfs/dbraw/zinc/10/66/52/393106652.db2.gz CXWJRYHCSPCUMA-UHFFFAOYSA-N 1 0 290.323 1.920 20 5 CDBDRO C[NH2+]C[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430957441 393107758 /nfs/dbraw/zinc/10/77/58/393107758.db2.gz SJAMNAAGFXHCKV-GFCCVEGCSA-N 1 0 279.340 1.515 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000430951550 393107798 /nfs/dbraw/zinc/10/77/98/393107798.db2.gz MEKKXVUJBXGVKD-LBPRGKRZSA-N 1 0 279.340 1.515 20 5 CDBDRO COC[C@@H](CO)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000279650461 393148181 /nfs/dbraw/zinc/14/81/81/393148181.db2.gz DYIBTDOYVVQHCK-WCQYABFASA-N 1 0 282.340 1.513 20 5 CDBDRO Cc1cnc(NCC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000090692626 139684691 /nfs/dbraw/zinc/68/46/91/139684691.db2.gz RDMRURLUQBBJCY-JTQLQIEISA-N 1 0 250.302 1.710 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@H+](C)CCCOC ZINC000192625026 140142896 /nfs/dbraw/zinc/14/28/96/140142896.db2.gz YOFLUFAKGXNENQ-UHFFFAOYSA-N 1 0 299.375 1.500 20 5 CDBDRO Cc1ccnc(NCCOCC[NH+](C)C)c1[N+](=O)[O-] ZINC000226738075 140181290 /nfs/dbraw/zinc/18/12/90/140181290.db2.gz HQCSRONUJOUSOJ-UHFFFAOYSA-N 1 0 268.317 1.288 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000229590358 140202884 /nfs/dbraw/zinc/20/28/84/140202884.db2.gz ZLPDGFUMELDSNW-JOYOIKCWSA-N 1 0 278.312 1.857 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1csc([N+](=O)[O-])c1 ZINC000232231396 140220498 /nfs/dbraw/zinc/22/04/98/140220498.db2.gz DDFPTGXSNMGZSL-VIFPVBQESA-N 1 0 269.326 1.528 20 5 CDBDRO [NH3+]CCCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000236214793 140238864 /nfs/dbraw/zinc/23/88/64/140238864.db2.gz RNCLYFQTRURHKF-UHFFFAOYSA-N 1 0 264.207 1.769 20 5 CDBDRO COc1cc(N2CC[C@@H]([NH3+])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000251938952 140315723 /nfs/dbraw/zinc/31/57/23/140315723.db2.gz ZLBHMWRJAYSOAJ-MWLCHTKSSA-N 1 0 265.313 1.777 20 5 CDBDRO COc1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000261598896 140361709 /nfs/dbraw/zinc/36/17/09/140361709.db2.gz BAHGSBPVWGMSNH-STQMWFEESA-N 1 0 291.351 1.645 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000334042632 149305720 /nfs/dbraw/zinc/30/57/20/149305720.db2.gz UZLANUKDHZTOFN-WCBMZHEXSA-N 1 0 283.353 1.869 20 5 CDBDRO CC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCOCC1 ZINC000343392414 152151635 /nfs/dbraw/zinc/15/16/35/152151635.db2.gz WQTBAKGTIMWRAY-LBPRGKRZSA-N 1 0 282.344 1.586 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000346267857 153117875 /nfs/dbraw/zinc/11/78/75/153117875.db2.gz PUJWXIMLXRGSFW-SECBINFHSA-N 1 0 251.286 1.275 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](C[NH3+])C2)n1 ZINC000162855949 292286547 /nfs/dbraw/zinc/28/65/47/292286547.db2.gz GKFKLZCQFKGXLM-SNVBAGLBSA-N 1 0 250.302 1.473 20 5 CDBDRO O=C1C[C@]2(CN1)CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000353734619 156049090 /nfs/dbraw/zinc/04/90/90/156049090.db2.gz AGUCDJZEABINFU-HNNXBMFYSA-N 1 0 289.335 1.697 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000353959716 156185874 /nfs/dbraw/zinc/18/58/74/156185874.db2.gz GTGKBDGAPPXJHL-GFCCVEGCSA-N 1 0 293.367 1.984 20 5 CDBDRO COc1c(C(=O)NC[C@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000356101890 157354775 /nfs/dbraw/zinc/35/47/75/157354775.db2.gz VHIBPTGZJXNFLI-SNVBAGLBSA-N 1 0 293.323 1.427 20 5 CDBDRO CC(C)[C@H](CO)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000359832225 158393259 /nfs/dbraw/zinc/39/32/59/158393259.db2.gz LTGYPRCXXUTSQK-ZDUSSCGKSA-N 1 0 295.339 1.164 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000163502545 292421232 /nfs/dbraw/zinc/42/12/32/292421232.db2.gz KNGFKMCJWJJONW-JQWIXIFHSA-N 1 0 291.351 1.960 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000372345412 160108655 /nfs/dbraw/zinc/10/86/55/160108655.db2.gz GHZVSJJGPMOGEP-DGCLKSJQSA-N 1 0 280.328 1.376 20 5 CDBDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000372453225 160122421 /nfs/dbraw/zinc/12/24/21/160122421.db2.gz GWTKMCNHTURMRF-TYNCELHUSA-N 1 0 290.319 1.824 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CC3(C2)CCCC3)c1 ZINC000372494437 160125798 /nfs/dbraw/zinc/12/57/98/160125798.db2.gz JLMBSGBDMGABFV-GFCCVEGCSA-N 1 0 280.328 1.028 20 5 CDBDRO C[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000068802083 287038871 /nfs/dbraw/zinc/03/88/71/287038871.db2.gz DNBZWBQBXXUICB-DOMZBBRYSA-N 1 0 292.383 1.491 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)NCCF ZINC000285089522 196194293 /nfs/dbraw/zinc/19/42/93/196194293.db2.gz JYEBFPJKSPGDEV-DTWKUNHWSA-N 1 0 298.318 1.302 20 5 CDBDRO Cc1n[nH]c(CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000285384365 196269130 /nfs/dbraw/zinc/26/91/30/196269130.db2.gz WMYPTZGXDLBXSW-QMMMGPOBSA-N 1 0 290.327 1.497 20 5 CDBDRO CCC[N@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000273227359 414073248 /nfs/dbraw/zinc/07/32/48/414073248.db2.gz WFCKVTDCLIRVGT-LLVKDONJSA-N 1 0 279.344 1.553 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH3+] ZINC000423940117 414148246 /nfs/dbraw/zinc/14/82/46/414148246.db2.gz BPHIULMXKFQGRI-RDDDGLTNSA-N 1 0 283.715 1.667 20 5 CDBDRO C[C@H]([NH2+]C[C@H]1COCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000038060764 174071907 /nfs/dbraw/zinc/07/19/07/174071907.db2.gz MMMTUPBFIZYHSZ-GWCFXTLKSA-N 1 0 266.297 1.661 20 5 CDBDRO CCS(=O)(=O)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040676076 174373920 /nfs/dbraw/zinc/37/39/20/174373920.db2.gz PJTZGRXNLNJCJS-UHFFFAOYSA-N 1 0 286.353 1.162 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000044528783 175193736 /nfs/dbraw/zinc/19/37/36/175193736.db2.gz YGSDHXNYHSPURQ-JTQLQIEISA-N 1 0 278.312 1.797 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000044541455 175201407 /nfs/dbraw/zinc/20/14/07/175201407.db2.gz ITNFPTUSZGDSDS-GFCCVEGCSA-N 1 0 277.324 1.477 20 5 CDBDRO CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000071310167 176117129 /nfs/dbraw/zinc/11/71/29/176117129.db2.gz DALVZMSWEQLEHL-SYTKJHMZSA-N 1 0 275.308 1.428 20 5 CDBDRO CCCN(C(=O)c1csc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000071315202 176121574 /nfs/dbraw/zinc/12/15/74/176121574.db2.gz OZQHTKJISOZKEL-JTQLQIEISA-N 1 0 283.353 1.870 20 5 CDBDRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000078639348 177363444 /nfs/dbraw/zinc/36/34/44/177363444.db2.gz LFZUOMZXJHWBJD-SECBINFHSA-N 1 0 272.326 1.118 20 5 CDBDRO Cc1ccc(NC[C@H]2C[NH2+]CCN2C)c([N+](=O)[O-])c1 ZINC000394728537 270338760 /nfs/dbraw/zinc/33/87/60/270338760.db2.gz GEBCJTPOKABAJH-LLVKDONJSA-N 1 0 264.329 1.219 20 5 CDBDRO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000132585687 260503378 /nfs/dbraw/zinc/50/33/78/260503378.db2.gz NDLRMVHGBIGMIC-UWVGGRQHSA-N 1 0 295.314 1.852 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000397192625 270347033 /nfs/dbraw/zinc/34/70/33/270347033.db2.gz PRIOYXXWXGJZPW-UHFFFAOYSA-N 1 0 251.286 1.452 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](C[NH3+])C1 ZINC000235315451 274299731 /nfs/dbraw/zinc/29/97/31/274299731.db2.gz SOSQDORLZQMOPB-RKDXNWHRSA-N 1 0 266.301 1.122 20 5 CDBDRO CCOc1cccc(NC[C@@H]2C[NH2+]CCN2C)c1[N+](=O)[O-] ZINC000394817348 270339163 /nfs/dbraw/zinc/33/91/63/270339163.db2.gz NVYWAIWRWDPZJU-NSHDSACASA-N 1 0 294.355 1.309 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]CCC2(CO)CC2)cs1 ZINC000395847796 270344208 /nfs/dbraw/zinc/34/42/08/270344208.db2.gz CHHKGMMRVBWSDR-UHFFFAOYSA-N 1 0 256.327 1.909 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NCC1([NH+](C)C)CC1 ZINC000397848831 270352099 /nfs/dbraw/zinc/35/20/99/270352099.db2.gz GFXNBZMLWFSOKU-UHFFFAOYSA-N 1 0 250.302 1.804 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCC1 ZINC000527113042 270667842 /nfs/dbraw/zinc/66/78/42/270667842.db2.gz ZTACDIBJPBDROO-UHFFFAOYSA-N 1 0 280.328 1.147 20 5 CDBDRO CC1(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)COC1 ZINC000355412787 273594233 /nfs/dbraw/zinc/59/42/33/273594233.db2.gz STSURWNFQNRFIN-UHFFFAOYSA-N 1 0 291.351 1.753 20 5 CDBDRO COCC[C@@H](CO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000281736969 274039068 /nfs/dbraw/zinc/03/90/68/274039068.db2.gz VFIREWYCSJZRHQ-WFASDCNBSA-N 1 0 294.351 1.959 20 5 CDBDRO COC[C@@H](CO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000353638255 274042950 /nfs/dbraw/zinc/04/29/50/274042950.db2.gz ARUDLUWFSFYQFW-YGRLFVJLSA-N 1 0 294.351 1.914 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])cn1 ZINC000408067902 274364725 /nfs/dbraw/zinc/36/47/25/274364725.db2.gz PYFRJFVBVJQYEB-NXEZZACHSA-N 1 0 250.302 1.519 20 5 CDBDRO C[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000292782244 274368830 /nfs/dbraw/zinc/36/88/30/274368830.db2.gz LVAFFEPEBBYWJY-DTORHVGOSA-N 1 0 295.368 1.833 20 5 CDBDRO C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[NH2+]1 ZINC000420183962 274370366 /nfs/dbraw/zinc/37/03/66/274370366.db2.gz IPACREUMTOYDEE-SNVBAGLBSA-N 1 0 272.308 1.941 20 5 CDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000449634269 274944045 /nfs/dbraw/zinc/94/40/45/274944045.db2.gz ZVTOZKHCDFQPIL-AYBYRNOTSA-N 1 0 279.296 1.434 20 5 CDBDRO O=[N+]([O-])c1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)c2ncccc12 ZINC000090322845 275037019 /nfs/dbraw/zinc/03/70/19/275037019.db2.gz OUARAKDTRUUQNG-PHIMTYICSA-N 1 0 284.319 1.799 20 5 CDBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CCCCO)CC1 ZINC000077359976 275040216 /nfs/dbraw/zinc/04/02/16/275040216.db2.gz FFTQHDQMPFCSMP-UHFFFAOYSA-N 1 0 279.340 1.489 20 5 CDBDRO CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000071310140 276745786 /nfs/dbraw/zinc/74/57/86/276745786.db2.gz MWIVKCSCXKVGJD-SECBINFHSA-N 1 0 283.715 1.682 20 5 CDBDRO C[N@@H+]1CC[C@@]2(CCN(c3cc(N)ccc3[N+](=O)[O-])C2)C1 ZINC000292441741 277160940 /nfs/dbraw/zinc/16/09/40/277160940.db2.gz YKBKGJLBKXLPOM-CQSZACIVSA-N 1 0 276.340 1.709 20 5 CDBDRO CNC(=O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000044989128 277227310 /nfs/dbraw/zinc/22/73/10/277227310.db2.gz DPVQUIOFVFBZGI-VIFPVBQESA-N 1 0 251.286 1.382 20 5 CDBDRO COC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000279011089 277597028 /nfs/dbraw/zinc/59/70/28/277597028.db2.gz FICGJIYTUCBRMP-LSDHHAIUSA-N 1 0 294.351 1.921 20 5 CDBDRO COc1cc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000156721908 277797918 /nfs/dbraw/zinc/79/79/18/277797918.db2.gz CUOIKGYITCGOAQ-KOLCDFICSA-N 1 0 293.323 1.413 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN(C)[C@H](C[NH3+])C1CC1 ZINC000160065156 277939395 /nfs/dbraw/zinc/93/93/95/277939395.db2.gz BFCXVWIUIQPHPO-CYBMUJFWSA-N 1 0 279.340 1.773 20 5 CDBDRO COc1cccc(N2CCC[NH2+]CC2)c1[N+](=O)[O-] ZINC000134794954 278015668 /nfs/dbraw/zinc/01/56/68/278015668.db2.gz XICAGKGDMQTLSS-UHFFFAOYSA-N 1 0 251.286 1.403 20 5 CDBDRO C[C@H]([NH3+])CCC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000193181150 278224899 /nfs/dbraw/zinc/22/48/99/278224899.db2.gz KMSKHFGRZJSYRD-JTQLQIEISA-N 1 0 280.328 1.250 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCO[C@@H](C[NH3+])C1 ZINC000420299377 278866599 /nfs/dbraw/zinc/86/65/99/278866599.db2.gz BADGEXGCVMMVOS-AAEUAGOBSA-N 1 0 279.340 1.624 20 5 CDBDRO Cc1nc(N[C@H]2C[N@H+](C(C)C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000450380020 279103021 /nfs/dbraw/zinc/10/30/21/279103021.db2.gz POWXCKIPRFBTNO-KOLCDFICSA-N 1 0 279.344 1.834 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCOC2)cc1 ZINC000088718518 279258798 /nfs/dbraw/zinc/25/87/98/279258798.db2.gz MPLUGMLWMXZPPN-SNVBAGLBSA-N 1 0 252.270 1.352 20 5 CDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320991 279277105 /nfs/dbraw/zinc/27/71/05/279277105.db2.gz DFPRBCJTKHGWTM-JARXHUJSSA-N 1 0 287.319 1.286 20 5 CDBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090321153 279277592 /nfs/dbraw/zinc/27/75/92/279277592.db2.gz IWPKHACRTPUTGK-DTORHVGOSA-N 1 0 295.726 1.540 20 5 CDBDRO [NH3+]CC1(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])CCCC1 ZINC000216268531 280087963 /nfs/dbraw/zinc/08/79/63/280087963.db2.gz UQVUATLEDQBVNY-FPLPWBNLSA-N 1 0 289.335 1.996 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2(C)CC[NH2+]CC2)c1 ZINC000229624487 280112687 /nfs/dbraw/zinc/11/26/87/280112687.db2.gz SLJPYHPQKBKYEF-UHFFFAOYSA-N 1 0 277.324 1.775 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000127548539 280213883 /nfs/dbraw/zinc/21/38/83/280213883.db2.gz ILURMIZSIKGRIH-MNOVXSKESA-N 1 0 275.308 1.561 20 5 CDBDRO CNc1ccc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000516147110 280923006 /nfs/dbraw/zinc/92/30/06/280923006.db2.gz GBQRUVBDENHYOW-GXSJLCMTSA-N 1 0 292.339 1.494 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH3+])[C@H](C)C2)n1 ZINC000162871612 281013745 /nfs/dbraw/zinc/01/37/45/281013745.db2.gz UESOCEIMDXOUNX-SCZZXKLOSA-N 1 0 250.302 1.472 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000412104858 281021934 /nfs/dbraw/zinc/02/19/34/281021934.db2.gz OHKUOVSQQIKPEC-HUBLWGQQSA-N 1 0 294.351 1.639 20 5 CDBDRO CCc1nn(C)c(N2CC[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC000212725588 281548428 /nfs/dbraw/zinc/54/84/28/281548428.db2.gz OAWIWTACEOVPBL-UHFFFAOYSA-N 1 0 267.333 1.079 20 5 CDBDRO COC[C@](C)(O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000531966424 281875811 /nfs/dbraw/zinc/87/58/11/281875811.db2.gz BNXGAROQVUJXHM-BXUZGUMPSA-N 1 0 282.340 1.951 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000261748006 289162165 /nfs/dbraw/zinc/16/21/65/289162165.db2.gz MQDMZTIRXLFROR-ZDUSSCGKSA-N 1 0 281.287 1.545 20 5 CDBDRO CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000159804627 292770239 /nfs/dbraw/zinc/77/02/39/292770239.db2.gz CPLHIEJMXZUVJZ-LHRNQBEKSA-N 1 0 289.335 1.804 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@H]1C[NH3+] ZINC000070176957 290435066 /nfs/dbraw/zinc/43/50/66/290435066.db2.gz MPVLORLDQUQPRN-ONGXEEELSA-N 1 0 280.328 1.133 20 5 CDBDRO CNc1ccc(C(=O)N(C)CCC[NH2+]C)cc1[N+](=O)[O-] ZINC000562964565 293228075 /nfs/dbraw/zinc/22/80/75/293228075.db2.gz DWPHKIUVADKVOO-UHFFFAOYSA-N 1 0 280.328 1.318 20 5 CDBDRO C[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000568770764 294099938 /nfs/dbraw/zinc/09/99/38/294099938.db2.gz PKBDQZNLBFCOIN-UWVGGRQHSA-N 1 0 295.343 1.311 20 5 CDBDRO Cc1cnc(N2CC[C@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000569096308 294155339 /nfs/dbraw/zinc/15/53/39/294155339.db2.gz SUBLDBQDBMTWBC-CQSZACIVSA-N 1 0 276.340 1.878 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000570911178 294330677 /nfs/dbraw/zinc/33/06/77/294330677.db2.gz XMUYURYOXIICGX-LBPRGKRZSA-N 1 0 292.339 1.488 20 5 CDBDRO CC[C@H]1C[N@H+](CC)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000571032657 294354246 /nfs/dbraw/zinc/35/42/46/294354246.db2.gz ZIMVBIIQYQGHKQ-NSHDSACASA-N 1 0 264.329 1.910 20 5 CDBDRO CN(CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000575748600 317007235 /nfs/dbraw/zinc/00/72/35/317007235.db2.gz NITUFORGLVBWQS-GFCCVEGCSA-N 1 0 265.313 1.267 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000389751139 323809882 /nfs/dbraw/zinc/80/98/82/323809882.db2.gz KYNMIFZUHRPTOL-PRHODGIISA-N 1 0 281.287 1.462 20 5 CDBDRO C[C@@]1(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[NH2+]C1 ZINC000578758294 324015641 /nfs/dbraw/zinc/01/56/41/324015641.db2.gz HUUPPRBCFHVVTA-CQSZACIVSA-N 1 0 275.308 1.484 20 5 CDBDRO [NH3+]CCCCCCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000698112610 1160926527 /nfs/dbraw/zinc/92/65/27/1160926527.db2.gz QUSSJTVGSLMWST-UHFFFAOYSA-N 1 0 279.340 1.773 20 5 CDBDRO CCC(=O)NC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169030305 1161998454 /nfs/dbraw/zinc/99/84/54/1161998454.db2.gz YJYJOYSUEKJQBR-WCQYABFASA-N 1 0 283.372 1.422 20 5 CDBDRO CC(C)[NH+]1CC(Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)C1 ZINC001157532720 1162159268 /nfs/dbraw/zinc/15/92/68/1162159268.db2.gz XLMNDRZGFVIJTE-UHFFFAOYSA-N 1 0 275.312 1.976 20 5 CDBDRO CCNC(=O)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000049201796 521745407 /nfs/dbraw/zinc/74/54/07/521745407.db2.gz RJVASADQYGXWAB-JTQLQIEISA-N 1 0 265.313 1.517 20 5 CDBDRO COC[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365119910 522222580 /nfs/dbraw/zinc/22/25/80/522222580.db2.gz DVZORELNQYJMAV-SNVBAGLBSA-N 1 0 268.317 1.463 20 5 CDBDRO CNc1ccc(C(=O)N[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000050788231 522592229 /nfs/dbraw/zinc/59/22/29/522592229.db2.gz ILCIOKNSJQVCQD-JTQLQIEISA-N 1 0 294.355 1.707 20 5 CDBDRO CC[C@@H](NC(=O)C[NH2+]CCOC)c1cccc([N+](=O)[O-])c1 ZINC000236902418 522687660 /nfs/dbraw/zinc/68/76/60/522687660.db2.gz VDLLSSNCKQQZRK-CYBMUJFWSA-N 1 0 295.339 1.398 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000235709650 524907941 /nfs/dbraw/zinc/90/79/41/524907941.db2.gz YGCSGHJSPRKISJ-CMPLNLGQSA-N 1 0 277.324 1.394 20 5 CDBDRO Cc1ccc(NC[C@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000068806365 525281407 /nfs/dbraw/zinc/28/14/07/525281407.db2.gz PYZFPPYQGSMUQC-LBPRGKRZSA-N 1 0 278.356 1.561 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]1)Nc1cccc([N+](=O)[O-])c1 ZINC000053254341 526513570 /nfs/dbraw/zinc/51/35/70/526513570.db2.gz WBFGRWDFGKBGFU-JTQLQIEISA-N 1 0 264.285 1.468 20 5 CDBDRO NC(=O)c1ccc(N[C@H](C[NH3+])C2CCCC2)c([N+](=O)[O-])c1 ZINC000236286422 527206256 /nfs/dbraw/zinc/20/62/56/527206256.db2.gz UOLLXWKJZCKOHG-GFCCVEGCSA-N 1 0 292.339 1.623 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000050246207 527217059 /nfs/dbraw/zinc/21/70/59/527217059.db2.gz ONAKSIOAJDAQLD-UXONFWTHSA-N 1 0 275.308 1.415 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCS(=O)(=O)C2)cc1 ZINC000069137345 527347024 /nfs/dbraw/zinc/34/70/24/527347024.db2.gz CQNTVNDJLXFPEL-LBPRGKRZSA-N 1 0 298.364 1.304 20 5 CDBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)C[C@H]21 ZINC000185022461 527416786 /nfs/dbraw/zinc/41/67/86/527416786.db2.gz AQJQMGQCSXMBCY-YIZRAAEISA-N 1 0 281.337 1.466 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000050708658 527503467 /nfs/dbraw/zinc/50/34/67/527503467.db2.gz UFIXISIPBKUSKG-SECBINFHSA-N 1 0 290.323 1.144 20 5 CDBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC1(C)C ZINC000419320067 535909856 /nfs/dbraw/zinc/90/98/56/535909856.db2.gz PJEHVUZHNQLMLA-XQQFMLRXSA-N 1 0 296.371 1.567 20 5 CDBDRO C[NH+](C)C[C@@H](O)CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000732566127 575091461 /nfs/dbraw/zinc/09/14/61/575091461.db2.gz BMNJGBOVYCODPF-JTQLQIEISA-N 1 0 290.323 1.477 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](CO)C1CC1 ZINC000763062949 576706558 /nfs/dbraw/zinc/70/65/58/576706558.db2.gz AIBSVCVSIBTKLP-LLVKDONJSA-N 1 0 254.261 1.594 20 5 CDBDRO Cc1c(CN(C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000748039372 576892896 /nfs/dbraw/zinc/89/28/96/576892896.db2.gz LUYZAPIXHANLOI-UHFFFAOYSA-N 1 0 251.330 1.897 20 5 CDBDRO CC[N@@H+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000749694340 576958363 /nfs/dbraw/zinc/95/83/63/576958363.db2.gz VYDGFMHPHFPFGG-IUODEOHRSA-N 1 0 293.367 1.654 20 5 CDBDRO CC(C)[NH+](CCNc1c([N+](=O)[O-])cnn1C)C(C)C ZINC000891450151 617411457 /nfs/dbraw/zinc/41/14/57/617411457.db2.gz KACCJJXRNHZBFF-UHFFFAOYSA-N 1 0 269.349 1.859 20 5 CDBDRO CC[N@H+](C)C[C@@H]1CCN(c2c([N+](=O)[O-])cnn2C)C1 ZINC000892732141 617671954 /nfs/dbraw/zinc/67/19/54/617671954.db2.gz UWEDBPISXZOXIB-JTQLQIEISA-N 1 0 267.333 1.106 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000931044388 617588743 /nfs/dbraw/zinc/58/87/43/617588743.db2.gz AQMWDDWTLJHTBH-OLZOCXBDSA-N 1 0 293.367 1.998 20 5 CDBDRO [NH3+]CC1(c2nc(-c3ccc([N+](=O)[O-])s3)no2)CC1 ZINC000843219012 617724821 /nfs/dbraw/zinc/72/48/21/617724821.db2.gz PLLQFJAONLQUIG-UHFFFAOYSA-N 1 0 266.282 1.697 20 5 CDBDRO Cc1cc(N)nc(N2CCc3c(cccc3[N+](=O)[O-])C2)[nH+]1 ZINC000892997487 618043035 /nfs/dbraw/zinc/04/30/35/618043035.db2.gz IPRBICHAICHSLE-UHFFFAOYSA-N 1 0 285.307 1.838 20 5 CDBDRO C[N@@H+]1C[C@@H]2CCN(c3ncc([N+](=O)[O-])s3)[C@@H]2C1 ZINC000893938838 618201461 /nfs/dbraw/zinc/20/14/61/618201461.db2.gz GNEKWRSQGIDKKL-JGVFFNPUSA-N 1 0 254.315 1.192 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000832188352 618640080 /nfs/dbraw/zinc/64/00/80/618640080.db2.gz YQBWXVYATQARSI-NSHDSACASA-N 1 0 273.377 1.667 20 5 CDBDRO O=C(NCC1C[NH2+]C1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841103211 618682904 /nfs/dbraw/zinc/68/29/04/618682904.db2.gz NDMXOWHNWVEILD-UHFFFAOYSA-N 1 0 284.703 1.589 20 5 CDBDRO C[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000843303766 618702432 /nfs/dbraw/zinc/70/24/32/618702432.db2.gz FZMUKSQOMSHCAX-UHFFFAOYSA-N 1 0 296.283 1.151 20 5 CDBDRO COc1ccc(C[NH2+]C[C@@H]2COCO2)cc1[N+](=O)[O-] ZINC000894872501 619112952 /nfs/dbraw/zinc/11/29/52/619112952.db2.gz JSLOMGORWGGWSK-SNVBAGLBSA-N 1 0 268.269 1.066 20 5 CDBDRO C[C@H](C(=O)NC[C@H]1CC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000928555419 619364289 /nfs/dbraw/zinc/36/42/89/619364289.db2.gz JQGMKWNNGHNLNJ-GXFFZTMASA-N 1 0 277.324 1.519 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[NH+](C)C)c1C ZINC000895681292 619802376 /nfs/dbraw/zinc/80/23/76/619802376.db2.gz PYTBFVUXALNLPO-JTQLQIEISA-N 1 0 279.340 1.892 20 5 CDBDRO COCC1C[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000895969454 619927680 /nfs/dbraw/zinc/92/76/80/619927680.db2.gz ATTJTRHNCWOREQ-UHFFFAOYSA-N 1 0 250.298 1.716 20 5 CDBDRO Cc1c([C@@H](C)[NH2+]CCCON)cccc1[N+](=O)[O-] ZINC000902418762 624784105 /nfs/dbraw/zinc/78/41/05/624784105.db2.gz MIOJIENQLKLABW-SNVBAGLBSA-N 1 0 253.302 1.834 20 5 CDBDRO NOCCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000902420455 624787422 /nfs/dbraw/zinc/78/74/22/624787422.db2.gz WOAHVGRLTBLMNB-ZDUSSCGKSA-N 1 0 279.340 1.786 20 5 CDBDRO O=[N+]([O-])c1cccc(N2CCN(C[C@H]3CCC[NH2+]3)CC2)c1 ZINC000903442291 625997280 /nfs/dbraw/zinc/99/72/80/625997280.db2.gz OBRMKQHLVNOKSW-CYBMUJFWSA-N 1 0 290.367 1.469 20 5 CDBDRO CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905063510 626612084 /nfs/dbraw/zinc/61/20/84/626612084.db2.gz AUERZVOMBSHRBC-LLVKDONJSA-N 1 0 287.360 1.642 20 5 CDBDRO C[C@@H]1C[C@H](NCC[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000905162429 626673426 /nfs/dbraw/zinc/67/34/26/626673426.db2.gz ZLWUAUDBVCJMFP-OCCSQVGLSA-N 1 0 263.341 1.516 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000905171270 626677431 /nfs/dbraw/zinc/67/74/31/626677431.db2.gz UPZJOCOTTJILKP-UHFFFAOYSA-N 1 0 280.111 1.634 20 5 CDBDRO CC1CCC2(CC1)OC[C@H](C[NH2+]CC[N+](=O)[O-])O2 ZINC000905202926 626690043 /nfs/dbraw/zinc/69/00/43/626690043.db2.gz PIEDPCCLNROASA-CXQJBGSLSA-N 1 0 258.318 1.175 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000905349684 626762889 /nfs/dbraw/zinc/76/28/89/626762889.db2.gz LXMIQYKVFBUAAD-SNVBAGLBSA-N 1 0 278.230 1.605 20 5 CDBDRO CCC[C@@H](O)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905587997 626879074 /nfs/dbraw/zinc/87/90/74/626879074.db2.gz JSEMHWCNAGHKQV-KGLIPLIRSA-N 1 0 282.340 1.769 20 5 CDBDRO [NH3+]C1CC(NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000906510101 627297589 /nfs/dbraw/zinc/29/75/89/627297589.db2.gz MOTRWYXRIZQKCH-UHFFFAOYSA-N 1 0 287.266 1.776 20 5 CDBDRO [NH3+]CCCCCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000033639404 632452028 /nfs/dbraw/zinc/45/20/28/632452028.db2.gz HRYDKWQESARUIH-UHFFFAOYSA-N 1 0 265.313 1.844 20 5 CDBDRO Cc1ccc(C[NH2+]CC[S@@](C)=O)cc1[N+](=O)[O-] ZINC000134737344 633051039 /nfs/dbraw/zinc/05/10/39/633051039.db2.gz CQIYRZWVKSRAPD-KRWDZBQOSA-N 1 0 256.327 1.371 20 5 CDBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ncccc2[N+](=O)[O-])O1 ZINC001170278443 1162331004 /nfs/dbraw/zinc/33/10/04/1162331004.db2.gz PPKNWHBSJGAWNG-WZRBSPASSA-N 1 0 296.327 1.127 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]C2(CO)CC2)c([N+](=O)[O-])c1 ZINC001170310996 1162334180 /nfs/dbraw/zinc/33/41/80/1162334180.db2.gz YCIDVHOOQNGLFP-SNVBAGLBSA-N 1 0 280.324 1.649 20 5 CDBDRO COc1nc(-n2cc3c(n2)CC[C@H]([NH3+])C3)ccc1[N+](=O)[O-] ZINC001157980517 1162644813 /nfs/dbraw/zinc/64/48/13/1162644813.db2.gz XJAFGMJRSOVREU-VIFPVBQESA-N 1 0 289.295 1.000 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CNc1cc(N)c([N+](=O)[O-])cn1 ZINC001354298786 1160257139 /nfs/dbraw/zinc/25/71/39/1160257139.db2.gz FDCKSTXBULTNGR-SECBINFHSA-N 1 0 265.317 1.468 20 5 CDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cnco1 ZINC001132026664 1163151879 /nfs/dbraw/zinc/15/18/79/1163151879.db2.gz NALDNARTNBTADV-UHFFFAOYSA-N 1 0 296.308 1.164 20 5 CDBDRO C[N@@H+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1(C)C ZINC000865914664 1164709519 /nfs/dbraw/zinc/70/95/19/1164709519.db2.gz SHVYZMIIPCRQKA-UHFFFAOYSA-N 1 0 289.339 1.773 20 5 CDBDRO COc1ccc(CO[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000051787208 1166745099 /nfs/dbraw/zinc/74/50/99/1166745099.db2.gz REZLTULFCOJSSI-NSHDSACASA-N 1 0 266.297 1.872 20 5 CDBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001155248399 1167109321 /nfs/dbraw/zinc/10/93/21/1167109321.db2.gz UBNLESNEDXCWIW-VIFPVBQESA-N 1 0 299.290 1.587 20 5 CDBDRO Cc1nc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC001155622529 1167264669 /nfs/dbraw/zinc/26/46/69/1167264669.db2.gz ZMTQTDHQVMLRIS-BXUZGUMPSA-N 1 0 292.339 1.621 20 5 CDBDRO CC(C)[C@@H]1C[C@H]1NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001575828241 1171279424 /nfs/dbraw/zinc/27/94/24/1171279424.db2.gz IAPLWVBZTHNNSA-GZBFAFLISA-N 1 0 291.351 1.929 20 5 CDBDRO C[C@]([NH3+])(C(=O)N[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC001576086588 1171329229 /nfs/dbraw/zinc/32/92/29/1171329229.db2.gz WACQPLAUGINRQL-BXUZGUMPSA-N 1 0 293.323 1.064 20 5 CDBDRO Cc1c(CNC(=O)N2C[C@@H]([NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC001579534361 1172206626 /nfs/dbraw/zinc/20/66/26/1172206626.db2.gz GNUMVOSHSJQBAJ-SKDRFNHKSA-N 1 0 292.339 1.534 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H]3C[NH2+]C[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC001579560089 1172211610 /nfs/dbraw/zinc/21/16/10/1172211610.db2.gz NXRNDPKVOBUCOL-DOMZBBRYSA-N 1 0 289.335 1.585 20 5 CDBDRO [NH3+]CC1(CC(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)CC1 ZINC001580240265 1172382069 /nfs/dbraw/zinc/38/20/69/1172382069.db2.gz VHEQEELRKCTBAO-UHFFFAOYSA-N 1 0 293.298 1.752 20 5 CDBDRO Nc1c(C(=O)NCCC[NH3+])cc2ccccc2c1[N+](=O)[O-] ZINC001580298709 1172395812 /nfs/dbraw/zinc/39/58/12/1172395812.db2.gz ZURYXARWNLWEHO-UHFFFAOYSA-N 1 0 288.307 1.409 20 5 CDBDRO [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001580396377 1172422537 /nfs/dbraw/zinc/42/25/37/1172422537.db2.gz OKQDTBOZMMRNCF-FPMFFAJLSA-N 1 0 289.335 1.648 20 5 CDBDRO Cc1cnc(CO[C@H]2CC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000232242972 1178189502 /nfs/dbraw/zinc/18/95/02/1178189502.db2.gz WFLBGRHEJIWGBR-JTQLQIEISA-N 1 0 251.286 1.485 20 5 CDBDRO C[C@@H]([NH3+])CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000261869353 1182201592 /nfs/dbraw/zinc/20/15/92/1182201592.db2.gz QLKZGERONFZPKQ-SECBINFHSA-N 1 0 263.297 1.217 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@]1(CO)CCOC1 ZINC000449238871 1186808580 /nfs/dbraw/zinc/80/85/80/1186808580.db2.gz TWTXACWEIOWOIM-FZMZJTMJSA-N 1 0 280.324 1.267 20 5 CDBDRO COc1nc(N(C)CC2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001165040554 721930549 /nfs/dbraw/zinc/93/05/49/721930549.db2.gz DYEWSPBLLOWWJF-UHFFFAOYSA-N 1 0 295.343 1.171 20 5 CDBDRO C[C@H](CCCCO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843114023 735189935 /nfs/dbraw/zinc/18/99/35/735189935.db2.gz GONNXMITXSUOOQ-RISCZKNCSA-N 1 0 282.340 1.769 20 5 CDBDRO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C1CCOCC1 ZINC000886112036 735238235 /nfs/dbraw/zinc/23/82/35/735238235.db2.gz NLMJPHSTIYPCOJ-JTQLQIEISA-N 1 0 265.313 1.895 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000876863275 735374089 /nfs/dbraw/zinc/37/40/89/735374089.db2.gz CKDNYBVEQXITTK-JTQLQIEISA-N 1 0 265.313 1.679 20 5 CDBDRO Cc1c(CNC(=O)NC[C@H]2CC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000922168666 735388488 /nfs/dbraw/zinc/38/84/88/735388488.db2.gz UPNBQULHWDFNIX-GFCCVEGCSA-N 1 0 292.339 1.407 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC1(CO)COC1 ZINC000717647512 735401947 /nfs/dbraw/zinc/40/19/47/735401947.db2.gz GQXMKCUZSHFIFF-UHFFFAOYSA-N 1 0 286.715 1.347 20 5 CDBDRO C[C@H](CCO)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843085139 735478311 /nfs/dbraw/zinc/47/83/11/735478311.db2.gz FSEWCQCOFQLNGJ-SMDDNHRTSA-N 1 0 282.340 1.626 20 5 CDBDRO CC[C@@H](CO)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000931771490 735825414 /nfs/dbraw/zinc/82/54/14/735825414.db2.gz KVPKXQYNMCOMOG-GXFFZTMASA-N 1 0 293.323 1.061 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000882479237 736243619 /nfs/dbraw/zinc/24/36/19/736243619.db2.gz QRCFNXFFFPHFSB-LBPRGKRZSA-N 1 0 263.297 1.419 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782637100 736339917 /nfs/dbraw/zinc/33/99/17/736339917.db2.gz ZUDGSZRUICEEPA-GYSYKLTISA-N 1 0 262.309 1.970 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H](C)[NH3+] ZINC000706053196 733206476 /nfs/dbraw/zinc/20/64/76/733206476.db2.gz KYDHAKGWTWCVOJ-MRVPVSSYSA-N 1 0 267.285 1.023 20 5 CDBDRO Cc1c(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000037999648 733258705 /nfs/dbraw/zinc/25/87/05/733258705.db2.gz YSIZHJOAMLITKU-NSHDSACASA-N 1 0 298.364 1.428 20 5 CDBDRO CC1(C)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000782577343 733328316 /nfs/dbraw/zinc/32/83/16/733328316.db2.gz AVQITMPKROCQMQ-KBPBESRZSA-N 1 0 294.351 1.721 20 5 CDBDRO C[C@@H](C[NH3+])CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000841049533 733426989 /nfs/dbraw/zinc/42/69/89/733426989.db2.gz TZRWQQHVJFSLAZ-QMMMGPOBSA-N 1 0 257.721 1.933 20 5 CDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702063934 733508619 /nfs/dbraw/zinc/50/86/19/733508619.db2.gz PDXRTFGKXBSQFP-VIFPVBQESA-N 1 0 297.742 1.978 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000882484677 733533996 /nfs/dbraw/zinc/53/39/96/733533996.db2.gz JTICPOJATQMJNR-SNVBAGLBSA-N 1 0 293.323 1.427 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@]2(CO)CCOC2)cc1Cl ZINC000783668704 733579618 /nfs/dbraw/zinc/57/96/18/733579618.db2.gz XNUHAWIGBXURGN-GFCCVEGCSA-N 1 0 286.715 1.489 20 5 CDBDRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839454694 733706733 /nfs/dbraw/zinc/70/67/33/733706733.db2.gz ALFCBXOMMRGNKO-UTUOFQBUSA-N 1 0 293.323 1.198 20 5 CDBDRO Cc1c(C[NH2+]CCS(=O)(=O)C2CC2)cccc1[N+](=O)[O-] ZINC000873132142 733719679 /nfs/dbraw/zinc/71/96/79/733719679.db2.gz IWIJDECIUCQRGG-UHFFFAOYSA-N 1 0 298.364 1.570 20 5 CDBDRO O=C(NCC1C[NH2+]C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000262040666 733769266 /nfs/dbraw/zinc/76/92/66/733769266.db2.gz RWDVBVYLINCZSN-UHFFFAOYSA-N 1 0 290.323 1.118 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCCOC2)cc1 ZINC000211113113 733833457 /nfs/dbraw/zinc/83/34/57/733833457.db2.gz VHPHRYVZZHXVBE-AAEUAGOBSA-N 1 0 266.297 1.397 20 5 CDBDRO CCN1CC[C@@H]1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000883354997 733839104 /nfs/dbraw/zinc/83/91/04/733839104.db2.gz GQQMKQNVLJKVCL-CMPLNLGQSA-N 1 0 278.356 1.922 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000261605288 733863185 /nfs/dbraw/zinc/86/31/85/733863185.db2.gz RHKSUHKZRGLXTJ-RDDDGLTNSA-N 1 0 267.260 1.296 20 5 CDBDRO O=[N+]([O-])c1ccccc1Cc1noc([C@H]2C[NH2+]CCO2)n1 ZINC000822647701 733872313 /nfs/dbraw/zinc/87/23/13/733872313.db2.gz ULSGDVJMPKRYNA-LLVKDONJSA-N 1 0 290.279 1.230 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000053202718 733892234 /nfs/dbraw/zinc/89/22/34/733892234.db2.gz XQZMFOQGUOEXEV-NSHDSACASA-N 1 0 278.312 1.811 20 5 CDBDRO CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000858587714 733902282 /nfs/dbraw/zinc/90/22/82/733902282.db2.gz VVWZTJIKFRIUDV-WDEREUQCSA-N 1 0 295.339 1.962 20 5 CDBDRO C[C@]1(C(N)=O)CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000793391240 733972778 /nfs/dbraw/zinc/97/27/78/733972778.db2.gz TXXNDFRSAKJYEU-ZDUSSCGKSA-N 1 0 297.742 1.946 20 5 CDBDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000791054218 734022361 /nfs/dbraw/zinc/02/23/61/734022361.db2.gz YSLYYYOWNITHDJ-VXGBXAGGSA-N 1 0 271.361 1.280 20 5 CDBDRO Cc1noc(COC(=O)CN2[C@H](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000853914323 734094636 /nfs/dbraw/zinc/09/46/36/734094636.db2.gz NEAJSUVMZWJXJH-RKDXNWHRSA-N 1 0 297.311 1.807 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000193603936 734136183 /nfs/dbraw/zinc/13/61/83/734136183.db2.gz OIBPHDZOLCNSNQ-XCBNKYQSSA-N 1 0 296.302 1.186 20 5 CDBDRO C[NH2+]C[C@@H](C)c1noc(-c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000842578922 734142499 /nfs/dbraw/zinc/14/24/99/734142499.db2.gz ARKLEABSBIKSNE-ZCFIWIBFSA-N 1 0 251.246 1.296 20 5 CDBDRO CON1CCC([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000925642132 734183049 /nfs/dbraw/zinc/18/30/49/734183049.db2.gz QILUPICZBGWHJO-UHFFFAOYSA-N 1 0 279.340 1.753 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923284539 734271343 /nfs/dbraw/zinc/27/13/43/734271343.db2.gz OSOGWQHIXASDDG-OCCSQVGLSA-N 1 0 279.340 1.312 20 5 CDBDRO C/C=C\C[C@H](CO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843077926 734304477 /nfs/dbraw/zinc/30/44/77/734304477.db2.gz QJXTXPGCTXKEGO-BTBCPRSTSA-N 1 0 280.324 1.545 20 5 CDBDRO CC(C)CNC(=[NH2+])NCCOc1ccc([N+](=O)[O-])cc1 ZINC000849007221 734323961 /nfs/dbraw/zinc/32/39/61/734323961.db2.gz CFBJJLHTVVXFLP-UHFFFAOYSA-N 1 0 280.328 1.744 20 5 CDBDRO CC(C)[C@H](CCO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000227011903 734334892 /nfs/dbraw/zinc/33/48/92/734334892.db2.gz NICZYAMAOLKMRB-KBPBESRZSA-N 1 0 282.340 1.625 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000886169967 734344051 /nfs/dbraw/zinc/34/40/51/734344051.db2.gz MMDKIZSVHZDHRN-PWSUYJOCSA-N 1 0 265.313 1.631 20 5 CDBDRO CC(C)C[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+](C)C ZINC000823298776 734347093 /nfs/dbraw/zinc/34/70/93/734347093.db2.gz YAGSJMKBQHNGBX-LBPRGKRZSA-N 1 0 287.404 1.914 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000089090804 734359563 /nfs/dbraw/zinc/35/95/63/734359563.db2.gz PVNMNALHKVOMRO-YPMHNXCESA-N 1 0 277.324 1.381 20 5 CDBDRO CC[NH2+][C@H](C)c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000863669647 734387614 /nfs/dbraw/zinc/38/76/14/734387614.db2.gz AFLXREXKHYBRFB-ZCFIWIBFSA-N 1 0 266.261 1.049 20 5 CDBDRO CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000826086460 734399759 /nfs/dbraw/zinc/39/97/59/734399759.db2.gz VFCYGDYNOQKOJO-LLVKDONJSA-N 1 0 271.361 1.375 20 5 CDBDRO CCC[C@H](O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134418455 734435503 /nfs/dbraw/zinc/43/55/03/734435503.db2.gz ZDMZSAVKPLVFQU-QWHCGFSZSA-N 1 0 268.313 1.379 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](CF)C2)c1 ZINC000880289356 734452227 /nfs/dbraw/zinc/45/22/27/734452227.db2.gz LKMRVEXQYOMSLL-DGCLKSJQSA-N 1 0 298.314 1.626 20 5 CDBDRO C[C@H](CNC(=O)[C@H](C)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000887399468 734477921 /nfs/dbraw/zinc/47/79/21/734477921.db2.gz VVIMYEICEASUNC-MNOVXSKESA-N 1 0 279.340 1.765 20 5 CDBDRO CCO[C@@H]1COC[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000832455690 734537287 /nfs/dbraw/zinc/53/72/87/734537287.db2.gz OTOUBTYBCYNSBA-MGPQQGTHSA-N 1 0 296.323 1.022 20 5 CDBDRO C[C@@]([NH3+])(C(=O)NC[C@H]1CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000870884764 734554545 /nfs/dbraw/zinc/55/45/45/734554545.db2.gz INMDMBHMIIFRFR-ABAIWWIYSA-N 1 0 291.351 1.931 20 5 CDBDRO [NH3+][C@]12CCC[C@H]1CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000923397999 734590625 /nfs/dbraw/zinc/59/06/25/734590625.db2.gz IDYTZHNIZOEWNZ-CFVMTHIKSA-N 1 0 291.351 1.441 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000247007472 734644599 /nfs/dbraw/zinc/64/45/99/734644599.db2.gz LAFFVKWNMGTAKJ-WCQYABFASA-N 1 0 279.344 1.165 20 5 CDBDRO CCOc1cc(NC[C@H](O)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000717283856 734677396 /nfs/dbraw/zinc/67/73/96/734677396.db2.gz YCQPDDQUWKTKNH-NSHDSACASA-N 1 0 283.328 1.328 20 5 CDBDRO CC(C)(CCC(=O)O[C@H]1CC[N@@H+]2CCC[C@H]2C1)[N+](=O)[O-] ZINC000835395507 734792458 /nfs/dbraw/zinc/79/24/58/734792458.db2.gz GMVJDBKLDLOMTD-RYUDHWBXSA-N 1 0 284.356 1.992 20 5 CDBDRO COCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000061380255 734814442 /nfs/dbraw/zinc/81/44/42/734814442.db2.gz MIUHMVIBIUZKKK-UHFFFAOYSA-N 1 0 299.302 1.042 20 5 CDBDRO C[N@@H+]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776272498 734866359 /nfs/dbraw/zinc/86/63/59/734866359.db2.gz UNMCHVRATOLDFI-CQSZACIVSA-N 1 0 279.340 1.266 20 5 CDBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886841622 734983187 /nfs/dbraw/zinc/98/31/87/734983187.db2.gz QWPICVCODWZTPW-UWVGGRQHSA-N 1 0 250.302 1.205 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000882488015 734983515 /nfs/dbraw/zinc/98/35/15/734983515.db2.gz NESQIBQVJIBXKW-AWEZNQCLSA-N 1 0 291.351 1.738 20 5 CDBDRO COC[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000229174394 735000999 /nfs/dbraw/zinc/00/09/99/735000999.db2.gz JJMBCERONNDDMT-LLVKDONJSA-N 1 0 254.286 1.000 20 5 CDBDRO Cc1cc(N2CC[NH2+]C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000420218008 735006302 /nfs/dbraw/zinc/00/63/02/735006302.db2.gz KOFJLUZUFDUYOT-SECBINFHSA-N 1 0 253.277 1.840 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000843504893 735075800 /nfs/dbraw/zinc/07/58/00/735075800.db2.gz DFYZNQJGQOJVST-IUCAKERBSA-N 1 0 299.302 1.355 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]CC2(C3(O)CCC3)CCC2)c1 ZINC000886976471 735075914 /nfs/dbraw/zinc/07/59/14/735075914.db2.gz BOZTYMSFZYKJPY-UHFFFAOYSA-N 1 0 294.355 1.466 20 5 CDBDRO CCNC(=O)C(C)(C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839128452 735076626 /nfs/dbraw/zinc/07/66/26/735076626.db2.gz DRGOJYOIRRDGQU-GFCCVEGCSA-N 1 0 295.339 1.133 20 5 CDBDRO C[C@@]([NH3+])(C(=O)N[C@@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000867948488 735147084 /nfs/dbraw/zinc/14/70/84/735147084.db2.gz XKTZUMMHAYHDCP-MFKMUULPSA-N 1 0 295.364 1.390 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+]CC3CC3)n2)o1 ZINC000843238780 735191150 /nfs/dbraw/zinc/19/11/50/735191150.db2.gz ZFVMKLDCDKDBBD-UHFFFAOYSA-N 1 0 264.241 1.737 20 5 CDBDRO COC[C@H](CO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866351083 735192301 /nfs/dbraw/zinc/19/23/01/735192301.db2.gz LISSWBLCLGVSPE-SKDRFNHKSA-N 1 0 286.303 1.262 20 5 CDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C2 ZINC000857008597 735245484 /nfs/dbraw/zinc/24/54/84/735245484.db2.gz NRFXAHVRHNGADF-OTYXRUKQSA-N 1 0 293.298 1.687 20 5 CDBDRO CC1(C)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000782577346 735579488 /nfs/dbraw/zinc/57/94/88/735579488.db2.gz AVQITMPKROCQMQ-UONOGXRCSA-N 1 0 294.351 1.721 20 5 CDBDRO CCc1nn(C)c(NC[C@@H]([NH3+])C2CC2)c1[N+](=O)[O-] ZINC000129295019 735894010 /nfs/dbraw/zinc/89/40/10/735894010.db2.gz VQAXOTKAADLDTL-MRVPVSSYSA-N 1 0 253.306 1.040 20 5 CDBDRO COc1c(O)ccc(C[N@@H+]2CC[C@H](C)[C@H]2CO)c1[N+](=O)[O-] ZINC000893907005 736070844 /nfs/dbraw/zinc/07/08/44/736070844.db2.gz GIGUXBPQZPTNKV-GXSJLCMTSA-N 1 0 296.323 1.512 20 5 CDBDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000839637344 736095553 /nfs/dbraw/zinc/09/55/53/736095553.db2.gz XIIUPNBTZIBIJW-LLVKDONJSA-N 1 0 295.314 1.644 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000701446564 736152968 /nfs/dbraw/zinc/15/29/68/736152968.db2.gz LQTHGJPPUURQSR-VHODGJRUSA-N 1 0 263.297 1.332 20 5 CDBDRO C[NH2+]C[C@H](C)c1noc(-c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000842578920 736305083 /nfs/dbraw/zinc/30/50/83/736305083.db2.gz ARKLEABSBIKSNE-LURJTMIESA-N 1 0 251.246 1.296 20 5 CDBDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CC[N+](=O)[O-])C1 ZINC000930541916 736333036 /nfs/dbraw/zinc/33/30/36/736333036.db2.gz PKUBTKKGSGOZKO-CQSZACIVSA-N 1 0 278.308 1.080 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825890887 1165886174 /nfs/dbraw/zinc/88/61/74/1165886174.db2.gz ALVXAQCINXTBIU-GWCFXTLKSA-N 1 0 295.339 1.085 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1COCCC12C[NH2+]C2 ZINC001155461021 1167178571 /nfs/dbraw/zinc/17/85/71/1167178571.db2.gz GTXOKGJJWNKKBG-JTQLQIEISA-N 1 0 298.730 1.434 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@H]([NH3+])C2)c1F ZINC001173180301 912280070 /nfs/dbraw/zinc/28/00/70/912280070.db2.gz UUOXFALZJTZZOR-ZJUUUORDSA-N 1 0 297.330 1.707 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC001122024493 913356614 /nfs/dbraw/zinc/35/66/14/913356614.db2.gz WKTYFLNZZJOGIZ-MRVPVSSYSA-N 1 0 283.353 1.784 20 5 CDBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H](O)C1CC1 ZINC000690250485 913877801 /nfs/dbraw/zinc/87/78/01/913877801.db2.gz ULGLOIQNACNCKG-CYBMUJFWSA-N 1 0 268.288 1.937 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ncc1-n1cccc1C[NH3+] ZINC001167595590 896962256 /nfs/dbraw/zinc/96/22/56/896962256.db2.gz GHEHDOKMVKJYRO-UHFFFAOYSA-N 1 0 276.252 1.026 20 5 CDBDRO CSCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001123159467 914215398 /nfs/dbraw/zinc/21/53/98/914215398.db2.gz WSQHDLRRCVAJGK-UHFFFAOYSA-N 1 0 283.353 1.164 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1nc(Cl)ccc1[N+](=O)[O-] ZINC001167689987 898207863 /nfs/dbraw/zinc/20/78/63/898207863.db2.gz MKBOUUQKUUZTOP-UHFFFAOYSA-N 1 0 279.687 1.372 20 5 CDBDRO CCN(C(=O)c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000037537276 899904182 /nfs/dbraw/zinc/90/41/82/899904182.db2.gz JZHFWMMNWSCVEH-UHFFFAOYSA-N 1 0 277.324 1.809 20 5 CDBDRO C[C@H](O)[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001307415683 909336424 /nfs/dbraw/zinc/33/64/24/909336424.db2.gz QXOAVDXYKUINJC-RYUDHWBXSA-N 1 0 279.340 1.486 20 5 CDBDRO O=C(NCC[NH2+]C/C=C\c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126942759 909994995 /nfs/dbraw/zinc/99/49/95/909994995.db2.gz GQBPZXBNULOYEJ-ALCJFRFOSA-N 1 0 289.335 1.071 20 5 CDBDRO CC(C)([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(N)=O ZINC001172901566 912038289 /nfs/dbraw/zinc/03/82/89/912038289.db2.gz NSRVTJXGWUVNPM-GFCCVEGCSA-N 1 0 291.351 1.696 20 5 CDBDRO CCOc1cc([N+](=O)[O-])ccc1-n1ccnc1C(N)=[NH2+] ZINC001168416306 912142672 /nfs/dbraw/zinc/14/26/72/912142672.db2.gz UGOBIALEQQQEAX-UHFFFAOYSA-N 1 0 275.268 1.463 20 5 CDBDRO CCC1(Nc2ccc(CC(=O)OC)c([N+](=O)[O-])c2)C[NH2+]C1 ZINC001168582507 919285528 /nfs/dbraw/zinc/28/55/28/919285528.db2.gz SKOVJZGOSOQHCX-UHFFFAOYSA-N 1 0 293.323 1.474 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001118197560 923886023 /nfs/dbraw/zinc/88/60/23/923886023.db2.gz UTOGCAYKKSDSJB-LLVKDONJSA-N 1 0 294.355 1.145 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](CO)Cc2cccc(F)c2)C1 ZINC001168984768 927573042 /nfs/dbraw/zinc/57/30/42/927573042.db2.gz AGFKVIPSBANORY-VHDGCEQUSA-N 1 0 296.342 1.764 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC001168956786 927577571 /nfs/dbraw/zinc/57/75/71/927577571.db2.gz FHCUWBABYGZFGN-VXGBXAGGSA-N 1 0 278.308 1.950 20 5 CDBDRO O=C1CCCN1CCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168958277 927580416 /nfs/dbraw/zinc/58/04/16/927580416.db2.gz MFNYEGQFSIFHGA-RYUDHWBXSA-N 1 0 269.345 1.034 20 5 CDBDRO CC1CCN(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168957863 927580456 /nfs/dbraw/zinc/58/04/56/927580456.db2.gz JUYQTWIDLMXTKH-ZIAGYGMSSA-N 1 0 269.389 1.753 20 5 CDBDRO CC(C)(CO)CCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168965975 927588736 /nfs/dbraw/zinc/58/87/36/927588736.db2.gz FICXYUYEIFOOGT-RYUDHWBXSA-N 1 0 258.362 1.820 20 5 CDBDRO COc1ccc(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1O ZINC001168966067 927589179 /nfs/dbraw/zinc/58/91/79/927589179.db2.gz GAUDYDGQPBVNOX-STQMWFEESA-N 1 0 294.351 1.978 20 5 CDBDRO O=C(NCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168965835 927590094 /nfs/dbraw/zinc/59/00/94/927590094.db2.gz CPLLYEPMCLMLKE-GXTWGEPZSA-N 1 0 291.351 1.451 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2(c3ccccc3)COC2)C1 ZINC001168968515 927590818 /nfs/dbraw/zinc/59/08/18/927590818.db2.gz ZSLMIEBPPNNXEA-DZGCQCFKSA-N 1 0 290.363 1.990 20 5 CDBDRO COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1(C)C ZINC001168969793 927592552 /nfs/dbraw/zinc/59/25/52/927592552.db2.gz FPNCFWSTVIIDNE-WYUUTHIRSA-N 1 0 284.356 1.609 20 5 CDBDRO [NH3+][C@H]1CCc2nn([C@H]3CC[C@H](C[N+](=O)[O-])C3)cc2C1 ZINC001168992987 927600160 /nfs/dbraw/zinc/60/01/60/927600160.db2.gz MAWKHRDUNKGEIF-DLOVCJGASA-N 1 0 264.329 1.317 20 5 CDBDRO COCC1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168993587 927600185 /nfs/dbraw/zinc/60/01/85/927600185.db2.gz NKZORWBUILDLSQ-VXGBXAGGSA-N 1 0 272.345 1.217 20 5 CDBDRO COC(=O)N1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168995075 927600588 /nfs/dbraw/zinc/60/05/88/927600588.db2.gz RFOPWMOVAVIQRH-CMPLNLGQSA-N 1 0 285.344 1.252 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc3n(n2)CCCO3)C1 ZINC001169007592 927611246 /nfs/dbraw/zinc/61/12/46/927611246.db2.gz OIVDUSOUTBKDSW-WDEREUQCSA-N 1 0 280.328 1.201 20 5 CDBDRO CC(C)(CC(=O)N1CCCC1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987857 927624443 /nfs/dbraw/zinc/62/44/43/927624443.db2.gz KUSMYFUIHYZSNA-STQMWFEESA-N 1 0 297.399 1.813 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC3(CCO3)CC2)C1 ZINC001169033260 927642118 /nfs/dbraw/zinc/64/21/18/927642118.db2.gz BPONDPSEFXJXBD-RYUDHWBXSA-N 1 0 254.330 1.687 20 5 CDBDRO CCNC(=O)OC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169035154 927644435 /nfs/dbraw/zinc/64/44/35/927644435.db2.gz ASGVHUFIIGJFHQ-NWDGAFQWSA-N 1 0 299.371 1.642 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCn3cncc3C2)C1 ZINC001169037484 927646250 /nfs/dbraw/zinc/64/62/50/927646250.db2.gz RYJJQJCPHQFXMA-QWRGUYRKSA-N 1 0 250.302 1.144 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(n3cnnc3)CC2)C1 ZINC001169037057 927647318 /nfs/dbraw/zinc/64/73/18/927647318.db2.gz IFDAUUMKMZOWNQ-YPMHNXCESA-N 1 0 279.344 1.360 20 5 CDBDRO CCOC(=O)[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038564 927650936 /nfs/dbraw/zinc/65/09/36/927650936.db2.gz ZRINBFCLTBESJP-AGIUHOORSA-N 1 0 284.356 1.849 20 5 CDBDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169040431 927653362 /nfs/dbraw/zinc/65/33/62/927653362.db2.gz ZVMJSDDKBNGBBG-HPCHECBXSA-N 1 0 296.367 1.705 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CC[C@H]3COC[C@@H]3C2)C1 ZINC001169040086 927653966 /nfs/dbraw/zinc/65/39/66/927653966.db2.gz XSMNURVRLUWRBK-CYDGBPFRSA-N 1 0 254.330 1.400 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(c3cncnc3)CC2)C1 ZINC001169039826 927654188 /nfs/dbraw/zinc/65/41/88/927654188.db2.gz UKGUHUGGWIPFDY-CHWSQXEVSA-N 1 0 291.355 1.044 20 5 CDBDRO CN1CCC2(CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)C1=O ZINC001169045658 927655988 /nfs/dbraw/zinc/65/59/88/927655988.db2.gz JPSBNVWENDDITD-CHWSQXEVSA-N 1 0 295.383 1.376 20 5 CDBDRO C[C@H]([NH3+])c1ccn(-c2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])n1 ZINC001169227824 927824940 /nfs/dbraw/zinc/82/49/40/927824940.db2.gz FQZHNADIHSYXBC-LURJTMIESA-N 1 0 283.675 1.087 20 5 CDBDRO [NH3+]Cc1ccn(-c2ccc3c([N+](=O)[O-])c[nH]c3n2)c1 ZINC001169716978 928373320 /nfs/dbraw/zinc/37/33/20/928373320.db2.gz TUJOMFIOLFLJSB-UHFFFAOYSA-N 1 0 257.253 1.721 20 5 CDBDRO COc1cc(C)c([N+](=O)[O-])cc1NC[C@H]1COCC[NH2+]1 ZINC001170044847 929132944 /nfs/dbraw/zinc/13/29/44/929132944.db2.gz NGRQRQOBVUGYDY-JTQLQIEISA-N 1 0 281.312 1.312 20 5 CDBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1N(C)C(C)(C)C[NH3+] ZINC001170060570 929252952 /nfs/dbraw/zinc/25/29/52/929252952.db2.gz RPUWONMPXLZFPG-UHFFFAOYSA-N 1 0 295.339 1.863 20 5 CDBDRO O=[N+]([O-])c1cc2cc[nH]c2c(N[C@@H]2C[NH2+]C[C@@H]2CO)c1 ZINC001170777006 929933967 /nfs/dbraw/zinc/93/39/67/929933967.db2.gz BZHGOXXVUSMCQA-BXKDBHETSA-N 1 0 276.296 1.068 20 5 CDBDRO COc1nc(-n2cc3ccc(C[NH3+])cc3n2)ccc1[N+](=O)[O-] ZINC001160140555 931195819 /nfs/dbraw/zinc/19/58/19/931195819.db2.gz HCWWQSVHVUXRAQ-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001154063735 937498688 /nfs/dbraw/zinc/49/86/88/937498688.db2.gz AHNVKBDZEUYFHY-UHFFFAOYSA-N 1 0 277.324 1.601 20 5 CDBDRO CCCCC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001154678758 937575707 /nfs/dbraw/zinc/57/57/07/937575707.db2.gz BBJBOMSASMFJGU-UHFFFAOYSA-N 1 0 297.359 1.114 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1NC[C@@H]1CCCC[NH2+]1 ZINC001171333506 932735608 /nfs/dbraw/zinc/73/56/08/932735608.db2.gz FEFYANMCGHNSAB-VIFPVBQESA-N 1 0 266.301 1.552 20 5 CDBDRO COc1cnc(N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001155916236 937688379 /nfs/dbraw/zinc/68/83/79/937688379.db2.gz MUOWTIJYNHFRPN-QMMMGPOBSA-N 1 0 254.290 1.360 20 5 CDBDRO COc1nc(N[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC001155915806 937688671 /nfs/dbraw/zinc/68/86/71/937688671.db2.gz ZAIBLRLVWOVOIB-MRVPVSSYSA-N 1 0 254.290 1.360 20 5 CDBDRO C[C@@H]1COC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000688047983 934528790 /nfs/dbraw/zinc/52/87/90/934528790.db2.gz MGPDMNFNJYHFPS-ZWNOBZJWSA-N 1 0 250.298 1.762 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1ncnc2cccc([N+](=O)[O-])c21 ZINC001156044865 938313882 /nfs/dbraw/zinc/31/38/82/938313882.db2.gz URYNPJQEHGLMLS-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO [NH3+]CCc1nccn1-c1ncc([N+](=O)[O-])c2ccccc21 ZINC001156478408 938372841 /nfs/dbraw/zinc/37/28/41/938372841.db2.gz JNBBRVNEWVQTFY-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO [NH3+]Cc1cnc2c(ccn2-c2ncc([N+](=O)[O-])cc2F)c1 ZINC001156593700 938390235 /nfs/dbraw/zinc/39/02/35/938390235.db2.gz NREQAYYWZZCEJS-UHFFFAOYSA-N 1 0 287.254 1.927 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001156850299 938425965 /nfs/dbraw/zinc/42/59/65/938425965.db2.gz WOBSSVULEHAAIG-UHFFFAOYSA-N 1 0 279.687 1.372 20 5 CDBDRO C[C@H]1[C@H]([NH3+])CCCN1c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001157733180 938537843 /nfs/dbraw/zinc/53/78/43/938537843.db2.gz NNHRIIJAVWJSED-GXSJLCMTSA-N 1 0 287.323 1.854 20 5 CDBDRO C[C@@H]1CN(c2ncnc3cc([N+](=O)[O-])ccc32)C[C@@H](C)[NH2+]1 ZINC001158177325 938591440 /nfs/dbraw/zinc/59/14/40/938591440.db2.gz SWXWFFYDNKTVMM-NXEZZACHSA-N 1 0 287.323 1.725 20 5 CDBDRO C[C@H]([NH3+])c1ccn(-c2nc(Cl)ncc2[N+](=O)[O-])n1 ZINC001158346439 938611834 /nfs/dbraw/zinc/61/18/34/938611834.db2.gz ZYVDAACJCLUHPH-YFKPBYRVSA-N 1 0 268.664 1.244 20 5 CDBDRO C[C@@H]([NH3+])c1ccn(-c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])n1 ZINC001158350726 938613236 /nfs/dbraw/zinc/61/32/36/938613236.db2.gz NUSYNOWEGCMYOZ-ZCFIWIBFSA-N 1 0 283.675 1.087 20 5 CDBDRO CC[N@@H+]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C(C)(C)C1 ZINC001158561447 938637281 /nfs/dbraw/zinc/63/72/81/938637281.db2.gz FESMXSVJTQRIQL-UHFFFAOYSA-N 1 0 279.344 1.493 20 5 CDBDRO CO[C@@H]1CN(c2ccc3cccc([N+](=O)[O-])c3n2)C[C@@H]1[NH3+] ZINC001158705904 938652614 /nfs/dbraw/zinc/65/26/14/938652614.db2.gz XXTBBXVEUPNVII-CMPLNLGQSA-N 1 0 288.307 1.305 20 5 CDBDRO CC(C)Oc1nc(NCC2C[NH+](C)C2)ccc1[N+](=O)[O-] ZINC001159223294 938713941 /nfs/dbraw/zinc/71/39/41/938713941.db2.gz ZYOOWGDGQLIYHG-UHFFFAOYSA-N 1 0 280.328 1.751 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2C[NH2+]C[C@H]2CO)c2ccccc21 ZINC001159678160 938744569 /nfs/dbraw/zinc/74/45/69/938744569.db2.gz OUPSGUXGTDSYFD-JOYOIKCWSA-N 1 0 288.307 1.135 20 5 CDBDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1ccc([N+](=O)[O-])c(N)n1)C2 ZINC001160472570 938789660 /nfs/dbraw/zinc/78/96/60/938789660.db2.gz IPWNFBNZJHBGCI-RTCCRHLQSA-N 1 0 291.355 1.999 20 5 CDBDRO [NH3+]C/C=C/CNc1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001160977123 938853677 /nfs/dbraw/zinc/85/36/77/938853677.db2.gz OUWSPKAKZZRZDG-OWOJBTEDSA-N 1 0 259.269 1.465 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ncc1NC[C@H]1C[NH2+][C@H](C)C1 ZINC001162559989 939088396 /nfs/dbraw/zinc/08/83/96/939088396.db2.gz WAAYJTDPZHRRBR-RKDXNWHRSA-N 1 0 294.311 1.186 20 5 CDBDRO [NH3+]Cc1ccnn1-c1nccc2c1cccc2[N+](=O)[O-] ZINC001162586153 939094752 /nfs/dbraw/zinc/09/47/52/939094752.db2.gz RGQWDGNHTNDTGA-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO Cc1nc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)ccc1[N+](=O)[O-] ZINC001162790421 939140341 /nfs/dbraw/zinc/14/03/41/939140341.db2.gz SIIKCMQHAJOURJ-GMTAPVOTSA-N 1 0 260.297 1.484 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)nc1N[C@@H]1C=C[C@@H]2C[NH2+]C[C@@H]12 ZINC001162790486 939140734 /nfs/dbraw/zinc/14/07/34/939140734.db2.gz UJJKGTRQYCXHOX-BWZBUEFSSA-N 1 0 281.703 1.224 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1N[C@@H]1C=C[C@@H]2C[NH2+]C[C@H]12 ZINC001162795337 939142981 /nfs/dbraw/zinc/14/29/81/939142981.db2.gz VCMUOVBSIJNDFI-FKTZTGRPSA-N 1 0 264.260 1.315 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@@]23CCC[C@@H]2[NH2+]CC3)c1F ZINC001162978394 939167993 /nfs/dbraw/zinc/16/79/93/939167993.db2.gz YNPRGKKRNCGUSV-JOYOIKCWSA-N 1 0 282.275 1.064 20 5 CDBDRO COc1cc(NC2CC3(C2)CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001162981519 939168643 /nfs/dbraw/zinc/16/86/43/939168643.db2.gz JVWPIIVMMLCANN-UHFFFAOYSA-N 1 0 292.339 1.943 20 5 CDBDRO CCOc1cc([N+](=O)[O-])ccc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163203068 939224975 /nfs/dbraw/zinc/22/49/75/939224975.db2.gz QOMWGWXLYCPKRH-QMTHXVAHSA-N 1 0 293.323 1.536 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1N[C@H]1C[NH+]2CCC1CC2 ZINC001163381262 939259528 /nfs/dbraw/zinc/25/95/28/939259528.db2.gz NVNPLBMDFCJAHI-VIFPVBQESA-N 1 0 298.730 1.388 20 5 CDBDRO C[NH2+]C1CN(c2ccc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001163700871 939311129 /nfs/dbraw/zinc/31/11/29/939311129.db2.gz BFGRAUHOTVNEOU-UHFFFAOYSA-N 1 0 258.281 1.551 20 5 CDBDRO C[NH2+]C1CN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001163705575 939311637 /nfs/dbraw/zinc/31/16/37/939311637.db2.gz FULNXNPZFIFIIU-UHFFFAOYSA-N 1 0 258.281 1.551 20 5 CDBDRO COc1cc(N2CC[C@H]([NH3+])C2)cc([N+](=O)[O-])c1C ZINC001164281415 939445536 /nfs/dbraw/zinc/44/55/36/939445536.db2.gz BNMPWEDPJSFULX-VIFPVBQESA-N 1 0 251.286 1.449 20 5 CDBDRO [NH3+]C1([C@H]2CN(c3cc([N+](=O)[O-])ccn3)C[C@@H]2CF)CC1 ZINC001165426966 939563142 /nfs/dbraw/zinc/56/31/42/939563142.db2.gz KSDGEAHAKHZLBL-ONGXEEELSA-N 1 0 280.303 1.503 20 5 CDBDRO CC[N+](C)(C)Cc1ccccc1N[C@H]1CCN(C)C1=O ZINC001166685520 939626467 /nfs/dbraw/zinc/62/64/67/939626467.db2.gz FZFJBNDJNWVUKS-HNNXBMFYSA-N 1 0 276.404 1.926 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C)OCC[NH+]1CCCC1 ZINC001206308407 940014392 /nfs/dbraw/zinc/01/43/92/940014392.db2.gz CAOGMXKQBDDYTE-NSHDSACASA-N 1 0 282.344 1.601 20 5 CDBDRO Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1-n1c[nH+]cc1N ZINC001211291163 940746155 /nfs/dbraw/zinc/74/61/55/940746155.db2.gz UYRPANXLMHHCIN-UHFFFAOYSA-N 1 0 263.213 1.579 20 5 CDBDRO COc1ccc(CO[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001217824018 941021142 /nfs/dbraw/zinc/02/11/42/941021142.db2.gz JURZYZVNYFRDBL-NSHDSACASA-N 1 0 252.270 1.482 20 5 CDBDRO O=[N+]([O-])c1cc(F)cc([N+](=O)[O-])c1O[C@@H]1CCC[NH2+]C1 ZINC001218278947 941050569 /nfs/dbraw/zinc/05/05/69/941050569.db2.gz KTHUQCUGPWLGTH-MRVPVSSYSA-N 1 0 285.231 1.773 20 5 CDBDRO C[C@@H]1CC[C@H](Oc2ccc(N)c([N+](=O)[O-])c2)C[NH2+]1 ZINC001218407308 941213539 /nfs/dbraw/zinc/21/35/39/941213539.db2.gz LTKCXAZMUGGUFT-SCZZXKLOSA-N 1 0 251.286 1.696 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OC1CC[NH+](C)CC1 ZINC001222503991 941604249 /nfs/dbraw/zinc/60/42/49/941604249.db2.gz MHTARDDICDQJDZ-SNVBAGLBSA-N 1 0 282.344 1.599 20 5 CDBDRO C[N@@H+]1[C@@H]2C[C@@H](OCc3cccc([N+](=O)[O-])c3)[C@H]1CC(=O)C2 ZINC001222769511 941633401 /nfs/dbraw/zinc/63/34/01/941633401.db2.gz UZAXWZLNOILXDQ-NWANDNLSSA-N 1 0 290.319 1.916 20 5 CDBDRO Cc1noc(C)c1-c1nc(CO[C@H](C)C[N+](C)(C)C)no1 ZINC001223180915 941662145 /nfs/dbraw/zinc/66/21/45/941662145.db2.gz OGOAEYZQHMJNLV-SECBINFHSA-N 1 0 295.363 1.953 20 5 CDBDRO COc1ccc(CO[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001223513808 941683103 /nfs/dbraw/zinc/68/31/03/941683103.db2.gz IRYCMZJIFFNVIY-GFCCVEGCSA-N 1 0 266.297 1.824 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCc1nccc2c1OCO2 ZINC001223755881 941696198 /nfs/dbraw/zinc/69/61/98/941696198.db2.gz LCPDNMRHSGDFMO-JTQLQIEISA-N 1 0 253.322 1.422 20 5 CDBDRO C[C@H](OC(=O)C[C@@H](O)C[N+](C)(C)C)c1ccc(F)cc1 ZINC001224009353 941714291 /nfs/dbraw/zinc/71/42/91/941714291.db2.gz GUADLPLGBYTTPA-SMDDNHRTSA-N 1 0 284.351 1.887 20 5 CDBDRO CCOc1ccccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225212608 941830142 /nfs/dbraw/zinc/83/01/42/941830142.db2.gz LHAMHTYPPXCRDP-GFCCVEGCSA-N 1 0 282.360 1.448 20 5 CDBDRO COCC[NH+]1CCC(Oc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC001225663945 941896227 /nfs/dbraw/zinc/89/62/27/941896227.db2.gz VIEWRQHGCRDMRY-UHFFFAOYSA-N 1 0 295.339 1.788 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2cc(OC)c([N+](=O)[O-])cn2)C1 ZINC001226581341 942030411 /nfs/dbraw/zinc/03/04/11/942030411.db2.gz OPMMTDNERGSRQG-VIFPVBQESA-N 1 0 267.285 1.471 20 5 CDBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ncc([N+](=O)[O-])cn1 ZINC001226735500 942059707 /nfs/dbraw/zinc/05/97/07/942059707.db2.gz SIWQMKMZLVDKQK-PEGIJTEDSA-N 1 0 278.312 1.494 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1O[C@@H](C)C[NH+](C)C ZINC001227184084 942146302 /nfs/dbraw/zinc/14/63/02/942146302.db2.gz CUMXMRDGFNJETD-VIFPVBQESA-N 1 0 254.286 1.932 20 5 CDBDRO C[N@@H+]1CCC[C@@H](Oc2ncc([N+](=O)[O-])c3nc[nH]c32)CC1 ZINC001227692770 942204842 /nfs/dbraw/zinc/20/48/42/942204842.db2.gz CNSJMLJBGLEDSX-SECBINFHSA-N 1 0 291.311 1.729 20 5 CDBDRO Cc1cc2[nH]c(O[C@@H]3CC[N@@H+](C)C3)nc2cc1[N+](=O)[O-] ZINC001228672483 942354485 /nfs/dbraw/zinc/35/44/85/942354485.db2.gz VXCLEJYJYNAMSW-SECBINFHSA-N 1 0 276.296 1.862 20 5 CDBDRO Cc1[nH]c(=O)cc(O[C@H](C)C[N+](C)(C)C)c1[N+](=O)[O-] ZINC001228688126 942358952 /nfs/dbraw/zinc/35/89/52/942358952.db2.gz FDWJRVSLSPWUMW-MRVPVSSYSA-O 1 0 270.309 1.477 20 5 CDBDRO COc1cc(-c2nn[nH]n2)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001229343530 942456238 /nfs/dbraw/zinc/45/62/38/942456238.db2.gz ZKGOZPCNKZTKPQ-JTQLQIEISA-N 1 0 292.363 1.349 20 5 CDBDRO Cc1ncc2c(c1O[C@H](C)C[N+](C)(C)C)COC2 ZINC001229796613 942532418 /nfs/dbraw/zinc/53/24/18/942532418.db2.gz XKFGZFLATAUNLT-SNVBAGLBSA-N 1 0 251.350 1.894 20 5 CDBDRO C[C@@H](NC(=O)[C@H](C)[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001263197210 943783936 /nfs/dbraw/zinc/78/39/36/943783936.db2.gz PDSJWLAFGOHVFS-ZJUUUORDSA-N 1 0 277.324 1.913 20 5 CDBDRO Cc1cc(NC(=O)C[C@@H]([NH3+])C2CC2)cc([N+](=O)[O-])c1 ZINC001263329629 943833294 /nfs/dbraw/zinc/83/32/94/943833294.db2.gz LPWZMNZQPDIMEN-GFCCVEGCSA-N 1 0 263.297 1.969 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2ccc(C(N)=O)cc21 ZINC001234507630 943870871 /nfs/dbraw/zinc/87/08/71/943870871.db2.gz XWBDUSJZRRLTSP-JTQLQIEISA-O 1 0 289.359 1.202 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000382435955 943937534 /nfs/dbraw/zinc/93/75/34/943937534.db2.gz VREPISNNJWIRTB-UWVGGRQHSA-N 1 0 250.302 1.980 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@H](O)c1ccco1)C2 ZINC001254566081 947527446 /nfs/dbraw/zinc/52/74/46/947527446.db2.gz HMEHQELTIVCBII-OCCSQVGLSA-N 1 0 288.303 1.978 20 5 CDBDRO O=C1NCCCC[C@@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254568831 947531117 /nfs/dbraw/zinc/53/11/17/947531117.db2.gz UUYBJYDETANAGI-JSGCOSHPSA-N 1 0 289.335 1.320 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1CC(O)C1)C2 ZINC001254574188 947533888 /nfs/dbraw/zinc/53/38/88/947533888.db2.gz GQDZPPFKTMBNFE-VTGPFMDVSA-N 1 0 262.309 1.423 20 5 CDBDRO CC(=O)N1CC[C@@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254577189 947535430 /nfs/dbraw/zinc/53/54/30/947535430.db2.gz CSCHOVIZZZFQTI-KGLIPLIRSA-N 1 0 289.335 1.272 20 5 CDBDRO CC(C)(O)CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580468 947538474 /nfs/dbraw/zinc/53/84/74/947538474.db2.gz CZVJHNLYGYPWDJ-LBPRGKRZSA-N 1 0 264.325 1.813 20 5 CDBDRO CN1CC[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1=O ZINC001254584153 947540173 /nfs/dbraw/zinc/54/01/73/947540173.db2.gz QLRNWPIYOJEJLR-QWHCGFSZSA-N 1 0 289.335 1.272 20 5 CDBDRO COC(=O)[C@@H]1C[C@@H]1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254583972 947541264 /nfs/dbraw/zinc/54/12/64/947541264.db2.gz FKCMENKMBGYYDV-MBNYWOFBSA-N 1 0 290.319 1.461 20 5 CDBDRO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[NH2+]C1 ZINC001246106477 947957538 /nfs/dbraw/zinc/95/75/38/947957538.db2.gz QCYJPAKSNRCRQV-FDYHWXHSSA-N 1 0 255.362 1.410 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC001325871402 954116620 /nfs/dbraw/zinc/11/66/20/954116620.db2.gz NNFBVRZASWRIOG-MQYQWHSLSA-N 1 0 278.308 1.538 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC001326454060 954390506 /nfs/dbraw/zinc/39/05/06/954390506.db2.gz XSEUMQIWXZKNDE-ZJUUUORDSA-N 1 0 292.339 1.494 20 5 CDBDRO CC1=NO[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335382678 954641935 /nfs/dbraw/zinc/64/19/35/954641935.db2.gz QLOPDCLMOLWWMN-OLZOCXBDSA-N 1 0 279.296 1.383 20 5 CDBDRO [NH3+]C[C@H](NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001327485537 954902919 /nfs/dbraw/zinc/90/29/19/954902919.db2.gz GUYKOOANIRUYPZ-ZDUSSCGKSA-N 1 0 290.323 1.357 20 5 CDBDRO CCC[C@]1(C(=O)OCC)CCCN1CC[N+](=O)[O-] ZINC001333001005 957999580 /nfs/dbraw/zinc/99/95/80/957999580.db2.gz CVZMMCUPBGAZAT-GFCCVEGCSA-N 1 0 258.318 1.461 20 5 CDBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001318401622 958086228 /nfs/dbraw/zinc/08/62/28/958086228.db2.gz CXNISOKWIPWSFX-MWLCHTKSSA-N 1 0 280.328 1.526 20 5 CDBDRO CC[C@@H](O)C[NH2+]CCNc1ccccc1[N+](=O)[O-] ZINC001335384220 959760120 /nfs/dbraw/zinc/76/01/20/959760120.db2.gz LMVZPVCRLFPWPI-SNVBAGLBSA-N 1 0 253.302 1.367 20 5 CDBDRO C[C@@H]1CN(c2ccc3nonc3c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001336680121 960460479 /nfs/dbraw/zinc/46/04/79/960460479.db2.gz SZZJKSZMOOKLBN-OCAPTIKFSA-N 1 0 277.284 1.318 20 5 CDBDRO C[C@@H](CCNc1cc(N)c([N+](=O)[O-])cn1)[NH+](C)C ZINC001337925321 961518261 /nfs/dbraw/zinc/51/82/61/961518261.db2.gz KKJAKNBLPVPNCP-QMMMGPOBSA-N 1 0 253.306 1.324 20 5 CDBDRO Nc1cc(N2CCC[N@@H+]3CCC[C@H]3C2)ncc1[N+](=O)[O-] ZINC001339560640 962422818 /nfs/dbraw/zinc/42/28/18/962422818.db2.gz ZTYXOWYAUVMTMX-JTQLQIEISA-N 1 0 277.328 1.247 20 5 CDBDRO CC[NH+](CC)[C@H]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001339597420 962445733 /nfs/dbraw/zinc/44/57/33/962445733.db2.gz ZGGYTMPCBXOADB-JTQLQIEISA-N 1 0 279.344 1.493 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCc1nc(Cc2ccccc2)no1 ZINC001346152099 964958523 /nfs/dbraw/zinc/95/85/23/964958523.db2.gz YCJIBLXQKXBBDT-UHFFFAOYSA-N 1 0 276.296 1.069 20 5 CDBDRO CC[NH+](CC)CC[C@@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC001517934575 970001456 /nfs/dbraw/zinc/00/14/56/970001456.db2.gz GXPFKWCYIGLRJI-SNVBAGLBSA-N 1 0 269.349 1.861 20 5 CDBDRO [NH3+]CCCCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001521513044 970308205 /nfs/dbraw/zinc/30/82/05/970308205.db2.gz OREDNBNEIBKYSE-OLZOCXBDSA-N 1 0 277.324 1.553 20 5 CDBDRO C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001515253958 976414990 /nfs/dbraw/zinc/41/49/90/976414990.db2.gz YEGUCLHMBQWNMI-DTORHVGOSA-N 1 0 250.302 1.364 20 5 CDBDRO CC[NH2+]CCCNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001577845907 1171753103 /nfs/dbraw/zinc/75/31/03/1171753103.db2.gz IUJSRHPYAZWBJH-UHFFFAOYSA-N 1 0 284.291 1.855 20 5 CDBDRO Nc1c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC000275825755 341977485 /nfs/dbraw/zinc/97/74/85/341977485.db2.gz XAIXRUUJFPPLLD-DTWKUNHWSA-N 1 0 296.302 1.316 20 5 CDBDRO Cc1cnc(N2CC[N@@H+](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000601186922 342489434 /nfs/dbraw/zinc/48/94/34/342489434.db2.gz GUUAXFKALUIART-UHFFFAOYSA-N 1 0 264.329 1.829 20 5 CDBDRO COc1ccc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000320183442 341993249 /nfs/dbraw/zinc/99/32/49/341993249.db2.gz ZEWIBUQJGOVXIY-BDAKNGLRSA-N 1 0 281.312 1.459 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCc2[nH]cnc2C1 ZINC000590378328 342541017 /nfs/dbraw/zinc/54/10/17/342541017.db2.gz IKGNNVAESWVMCR-UHFFFAOYSA-N 1 0 278.293 1.578 20 5 CDBDRO C[C@@]1(O)CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000124816101 187155346 /nfs/dbraw/zinc/15/53/46/187155346.db2.gz BETUSRKTNGJGRW-CYBMUJFWSA-N 1 0 250.298 1.942 20 5 CDBDRO C[C@@H]1[C@H](O)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000591039644 342614135 /nfs/dbraw/zinc/61/41/35/342614135.db2.gz ZPLMBZNXICVFAJ-ZWNOBZJWSA-N 1 0 293.323 1.379 20 5 CDBDRO CC(C)[NH2+]CCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000152018736 342111726 /nfs/dbraw/zinc/11/17/26/342111726.db2.gz QYTOUHHQZJKJMU-UHFFFAOYSA-N 1 0 277.324 1.872 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000591361342 342628413 /nfs/dbraw/zinc/62/84/13/342628413.db2.gz VVNUVNZHFUJSBJ-SNVBAGLBSA-N 1 0 280.328 1.126 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591447884 342632870 /nfs/dbraw/zinc/63/28/70/342632870.db2.gz CACASUXYTBTZSV-RISCZKNCSA-N 1 0 291.351 1.787 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1C[NH2+]CCC1(F)F ZINC000591672751 342641446 /nfs/dbraw/zinc/64/14/46/342641446.db2.gz IVPBZWOUTOSJIJ-SNVBAGLBSA-N 1 0 285.250 1.778 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC2(C)CC[NH2+]CC2)c1 ZINC000591683248 342642427 /nfs/dbraw/zinc/64/24/27/342642427.db2.gz ZFZSDWYYUQEMFX-UHFFFAOYSA-N 1 0 293.323 1.475 20 5 CDBDRO CNc1ccc(C(=O)N[C@@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000592332416 342685543 /nfs/dbraw/zinc/68/55/43/342685543.db2.gz WMMSAOOFVVTNGX-QMMMGPOBSA-N 1 0 266.301 1.104 20 5 CDBDRO CC(C)([NH3+])CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000592136355 342672654 /nfs/dbraw/zinc/67/26/54/342672654.db2.gz IYDOKAQLKWACOQ-UHFFFAOYSA-N 1 0 281.312 1.217 20 5 CDBDRO CC(C)([NH3+])CCC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000592538798 342708283 /nfs/dbraw/zinc/70/82/83/342708283.db2.gz QZTIVGYYNNMGKM-UHFFFAOYSA-N 1 0 279.340 1.771 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000592545856 342708964 /nfs/dbraw/zinc/70/89/64/342708964.db2.gz ZVPJVSGZPLBVBX-ONGXEEELSA-N 1 0 290.323 1.001 20 5 CDBDRO [NH3+][C@H]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000322427769 342185827 /nfs/dbraw/zinc/18/58/27/342185827.db2.gz NRMUETJVYLKHJS-KYZUINATSA-N 1 0 269.326 1.656 20 5 CDBDRO CCN1C[C@@H](C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000593684831 342822148 /nfs/dbraw/zinc/82/21/48/342822148.db2.gz BGXKAKPIDCKUHY-CYBMUJFWSA-N 1 0 291.351 1.861 20 5 CDBDRO COc1ccc(C[NH2+][C@H](CO)CCF)cc1[N+](=O)[O-] ZINC000593690166 342823476 /nfs/dbraw/zinc/82/34/76/342823476.db2.gz STBJPROUOMKEDZ-JTQLQIEISA-N 1 0 272.276 1.414 20 5 CDBDRO CO[C@H](C[NH3+])C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000290011634 361971098 /nfs/dbraw/zinc/97/10/98/361971098.db2.gz QGNLKLCDRSENPJ-JOYOIKCWSA-N 1 0 281.312 1.054 20 5 CDBDRO Cc1n[nH]c(C(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])c1[N+](=O)[O-] ZINC000593917404 342851218 /nfs/dbraw/zinc/85/12/18/342851218.db2.gz VQEQSJOAICKLNV-PSASIEDQSA-N 1 0 295.343 1.216 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC2CC=CC2)c1 ZINC000600750246 342247368 /nfs/dbraw/zinc/24/73/68/342247368.db2.gz KQBCWBQTCMGLCW-AWEZNQCLSA-N 1 0 292.335 1.890 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000092955541 342270415 /nfs/dbraw/zinc/27/04/15/342270415.db2.gz RQDDXHVJPGVKHX-ZWNOBZJWSA-N 1 0 277.324 1.252 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595049725 342999689 /nfs/dbraw/zinc/99/96/89/342999689.db2.gz DBMHKAANBCWSLD-ZJUUUORDSA-N 1 0 295.339 1.779 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595264470 343015572 /nfs/dbraw/zinc/01/55/72/343015572.db2.gz YSFBRENQHAMQTM-VHSXEESVSA-N 1 0 280.328 1.563 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595264467 343015691 /nfs/dbraw/zinc/01/56/91/343015691.db2.gz YSFBRENQHAMQTM-UWVGGRQHSA-N 1 0 280.328 1.563 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H](CO)C1CCOCC1 ZINC000595428012 343057310 /nfs/dbraw/zinc/05/73/10/343057310.db2.gz YOWKUFOGEXIONN-ZDUSSCGKSA-N 1 0 298.314 1.611 20 5 CDBDRO CC[N@@H+]1CCCN(CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000595536714 343092300 /nfs/dbraw/zinc/09/23/00/343092300.db2.gz TYYFTBJMPNWPAA-LBPRGKRZSA-N 1 0 281.360 1.207 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000235721195 362040699 /nfs/dbraw/zinc/04/06/99/362040699.db2.gz DBWDFCUGDBQBCQ-WDEREUQCSA-N 1 0 277.324 1.774 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)C[NH+](C)C)n1 ZINC000166826088 362081421 /nfs/dbraw/zinc/08/14/21/362081421.db2.gz LCFZPNRARRQUAI-QMMMGPOBSA-N 1 0 282.300 1.138 20 5 CDBDRO C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1CCO ZINC000595697453 343125083 /nfs/dbraw/zinc/12/50/83/343125083.db2.gz LISWWRLKZFGVPN-AAEUAGOBSA-N 1 0 282.344 1.274 20 5 CDBDRO Cc1cc(NC[C@H](C)N2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000080600633 342357301 /nfs/dbraw/zinc/35/73/01/342357301.db2.gz XRVLBUSFQVGQLM-LBPRGKRZSA-N 1 0 293.371 1.346 20 5 CDBDRO CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000080684854 342359145 /nfs/dbraw/zinc/35/91/45/342359145.db2.gz SGVHKVVBXHJHGB-UHFFFAOYSA-N 1 0 268.273 1.501 20 5 CDBDRO O=C(NCC1=CC[NH2+]CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000169254494 342360404 /nfs/dbraw/zinc/36/04/04/342360404.db2.gz NOKBAZCMXOHXNF-UHFFFAOYSA-N 1 0 295.726 1.898 20 5 CDBDRO C[C@H]1CCCN(c2ccc(N)c([N+](=O)[O-])n2)[C@H]1CC[NH3+] ZINC000596014568 343218621 /nfs/dbraw/zinc/21/86/21/343218621.db2.gz QUDWFKVZBDHELI-ONGXEEELSA-N 1 0 279.344 1.526 20 5 CDBDRO NC(=O)C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000588977521 342446310 /nfs/dbraw/zinc/44/63/10/342446310.db2.gz NVIABZJCTRMROE-SECBINFHSA-N 1 0 297.742 1.946 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000041031571 362188618 /nfs/dbraw/zinc/18/86/18/362188618.db2.gz UGVLPTQVGKVFFJ-UHFFFAOYSA-N 1 0 265.313 1.633 20 5 CDBDRO Cc1c(CNC(=O)N[C@]2(C)CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000597433225 343535409 /nfs/dbraw/zinc/53/54/09/343535409.db2.gz PMFAKAQKWKCRNP-CQSZACIVSA-N 1 0 292.339 1.454 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[NH2+]C1 ZINC000126899732 187269331 /nfs/dbraw/zinc/26/93/31/187269331.db2.gz DYGQMMICDOSPFX-SECBINFHSA-N 1 0 283.715 1.269 20 5 CDBDRO C[C@@H](CCNC(=O)Cc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000597991732 343682074 /nfs/dbraw/zinc/68/20/74/343682074.db2.gz HRIQNCJZXNSZLA-NSHDSACASA-N 1 0 279.340 1.594 20 5 CDBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000598260736 343743922 /nfs/dbraw/zinc/74/39/22/343743922.db2.gz MHTFYBJJWZWEKG-JTQLQIEISA-N 1 0 295.343 1.168 20 5 CDBDRO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])CC1(C)COC1 ZINC000599571305 344090160 /nfs/dbraw/zinc/09/01/60/344090160.db2.gz BNVSDZZMHLJGBK-UHFFFAOYSA-N 1 0 293.323 1.502 20 5 CDBDRO C[C@@H]1CC(F)(F)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000599621844 344097288 /nfs/dbraw/zinc/09/72/88/344097288.db2.gz HUJQAIJUKVOFBV-SECBINFHSA-N 1 0 274.271 1.911 20 5 CDBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1ccc(F)cc1[N+](=O)[O-] ZINC000130372619 347034137 /nfs/dbraw/zinc/03/41/37/347034137.db2.gz AVZGJVUHHQJIRK-SNVBAGLBSA-N 1 0 281.287 1.606 20 5 CDBDRO O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)c1ccc([N+](=O)[O-])cc1F ZINC000601973911 344300830 /nfs/dbraw/zinc/30/08/30/344300830.db2.gz JLZDLGSVMYCLIS-OTYXRUKQSA-N 1 0 293.298 1.606 20 5 CDBDRO COc1cc(C(=O)N2C[C@H]([NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000602597573 344503576 /nfs/dbraw/zinc/50/35/76/344503576.db2.gz VKMDSMXCUGVVTH-WCBMZHEXSA-N 1 0 279.296 1.165 20 5 CDBDRO O=C(NCCC1CC[NH2+]CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000602520592 344452452 /nfs/dbraw/zinc/45/24/52/344452452.db2.gz IOJFURZWKJFJFK-UHFFFAOYSA-N 1 0 295.314 1.853 20 5 CDBDRO CCc1ccc(C(=O)N(C)CCOCC[NH3+])cc1[N+](=O)[O-] ZINC000602561302 344469497 /nfs/dbraw/zinc/46/94/97/344469497.db2.gz XUMMCFSORIVLON-UHFFFAOYSA-N 1 0 295.339 1.205 20 5 CDBDRO CNc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000602591800 344480195 /nfs/dbraw/zinc/48/01/95/344480195.db2.gz MWSDVENPFNNAAP-PHIMTYICSA-N 1 0 290.323 1.213 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)C1CCOCC1 ZINC000602804989 344592651 /nfs/dbraw/zinc/59/26/51/344592651.db2.gz JBSOHUNHUSSHTL-JTQLQIEISA-N 1 0 282.344 1.504 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000602778734 344594734 /nfs/dbraw/zinc/59/47/34/344594734.db2.gz LAHIDWRAHIMWGJ-CYBMUJFWSA-N 1 0 295.387 1.373 20 5 CDBDRO CC[N@@H+]1CCN(CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602826551 344612113 /nfs/dbraw/zinc/61/21/13/344612113.db2.gz BUNRJSJAOCBWPK-LLVKDONJSA-N 1 0 281.360 1.126 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CSC[C@@H]1C ZINC000602834426 344617977 /nfs/dbraw/zinc/61/79/77/344617977.db2.gz ZDLNSKCPOOETOP-WPRPVWTQSA-N 1 0 270.358 1.441 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000602788385 344600251 /nfs/dbraw/zinc/60/02/51/344600251.db2.gz OPPXJVPXTIOZMA-TXEJJXNPSA-N 1 0 264.329 1.832 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000602901698 344654839 /nfs/dbraw/zinc/65/48/39/344654839.db2.gz DDABEXYRINBGLS-GHMZBOCLSA-N 1 0 250.302 1.442 20 5 CDBDRO COC[C@@](C)(CO)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000602930701 344661911 /nfs/dbraw/zinc/66/19/11/344661911.db2.gz BNCIQRJNMISAKM-CQSZACIVSA-N 1 0 298.339 1.351 20 5 CDBDRO C[NH2+][C@@H](C)c1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000603203738 344734762 /nfs/dbraw/zinc/73/47/62/344734762.db2.gz RRURWQTVCJYGEI-QMMMGPOBSA-N 1 0 279.275 1.654 20 5 CDBDRO CC[NH2+]Cc1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000603224225 344738176 /nfs/dbraw/zinc/73/81/76/344738176.db2.gz NTKQMOYPZZUYSN-UHFFFAOYSA-N 1 0 279.275 1.483 20 5 CDBDRO CC1(C)[C@H](NCc2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH3+] ZINC000603432406 344803699 /nfs/dbraw/zinc/80/36/99/344803699.db2.gz IFMGGUJGVBRMMV-NWDGAFQWSA-N 1 0 267.304 1.949 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000313517702 344907256 /nfs/dbraw/zinc/90/72/56/344907256.db2.gz NMGPXUAGOAGSOP-RNCFNFMXSA-N 1 0 283.303 1.282 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)C1 ZINC000292962342 362522338 /nfs/dbraw/zinc/52/23/38/362522338.db2.gz CYNUNADXFZCXHX-VIFPVBQESA-N 1 0 282.319 1.704 20 5 CDBDRO COC[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000265819701 362608704 /nfs/dbraw/zinc/60/87/04/362608704.db2.gz RQNWSZXHRJFKBD-GFCCVEGCSA-N 1 0 280.324 1.942 20 5 CDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000046408778 345639793 /nfs/dbraw/zinc/63/97/93/345639793.db2.gz GYFOFMTYLUOFKA-LLVKDONJSA-N 1 0 277.324 1.809 20 5 CDBDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000151095666 362624031 /nfs/dbraw/zinc/62/40/31/362624031.db2.gz IVTSIELWZTUFGI-MFKMUULPSA-N 1 0 277.324 1.866 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000015164197 362602373 /nfs/dbraw/zinc/60/23/73/362602373.db2.gz UCUZDSMRZBSNIA-NSHDSACASA-N 1 0 292.339 1.590 20 5 CDBDRO CC[NH+](CC)[C@H]1CCN(c2cccnc2[N+](=O)[O-])C1 ZINC000610283164 346243623 /nfs/dbraw/zinc/24/36/23/346243623.db2.gz MGSDBXHSFCRKGP-NSHDSACASA-N 1 0 264.329 1.910 20 5 CDBDRO CC[C@H](C)C[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000227700477 346530622 /nfs/dbraw/zinc/53/06/22/346530622.db2.gz UWSDWNJPOYDQMT-GMXVVIOVSA-N 1 0 284.360 1.567 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(c2c([N+](=O)[O-])ncn2C)C[C@H]1C ZINC000611222062 346696178 /nfs/dbraw/zinc/69/61/78/346696178.db2.gz SPGUALKHMHUFKA-NXEZZACHSA-N 1 0 267.333 1.247 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000612588241 347217985 /nfs/dbraw/zinc/21/79/85/347217985.db2.gz XLDZJAWGQMPJIW-QMVVBGKPSA-N 1 0 278.308 1.036 20 5 CDBDRO CC[C@H](CO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293632775 362789579 /nfs/dbraw/zinc/78/95/79/362789579.db2.gz HQMKUTJDGCHDIJ-WCBMZHEXSA-N 1 0 253.302 1.599 20 5 CDBDRO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[C@H]1[NH3+] ZINC000122507777 347651157 /nfs/dbraw/zinc/65/11/57/347651157.db2.gz SWSSQHFNJBTDBU-DTWKUNHWSA-N 1 0 267.285 1.387 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000122553646 347657337 /nfs/dbraw/zinc/65/73/37/347657337.db2.gz VMSILCDQHLUSIR-ZWNOBZJWSA-N 1 0 277.324 1.794 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000086467554 179297662 /nfs/dbraw/zinc/29/76/62/179297662.db2.gz OFIOEXIBSHLNBX-RKDXNWHRSA-N 1 0 281.287 1.556 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000086468099 179298936 /nfs/dbraw/zinc/29/89/36/179298936.db2.gz QMXSMDNSLAPHFE-JGVFFNPUSA-N 1 0 269.326 1.479 20 5 CDBDRO C[C@@H]1C[C@@H](Nc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1C ZINC000090794954 348156928 /nfs/dbraw/zinc/15/69/28/348156928.db2.gz DNLUGODZACHQSO-BDAKNGLRSA-N 1 0 253.306 1.223 20 5 CDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[NH+](C)C ZINC000033093613 348696817 /nfs/dbraw/zinc/69/68/17/348696817.db2.gz FWQHLKQLLOMEKB-SNVBAGLBSA-N 1 0 294.355 1.341 20 5 CDBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1F)N1CC[NH+](C)CC1 ZINC000057838110 348848117 /nfs/dbraw/zinc/84/81/17/348848117.db2.gz CAAVOUVASXERLG-LLVKDONJSA-N 1 0 296.346 1.782 20 5 CDBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000063118449 348918871 /nfs/dbraw/zinc/91/88/71/348918871.db2.gz IECVOMJBZQBDLU-UHFFFAOYSA-N 1 0 269.326 1.480 20 5 CDBDRO CN1CCO[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000105471988 186059643 /nfs/dbraw/zinc/05/96/43/186059643.db2.gz UXYGTEVTASSCDA-CYBMUJFWSA-N 1 0 265.313 1.015 20 5 CDBDRO COc1cc(N[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000111052024 186348247 /nfs/dbraw/zinc/34/82/47/186348247.db2.gz BXWTUROKYYWHGO-SNVBAGLBSA-N 1 0 251.286 1.767 20 5 CDBDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000111265092 186381223 /nfs/dbraw/zinc/38/12/23/186381223.db2.gz KZLFDBWRTXQXGI-LBPRGKRZSA-N 1 0 277.324 1.553 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000111303612 186393602 /nfs/dbraw/zinc/39/36/02/186393602.db2.gz XFNMVGBONTZBFH-SNVBAGLBSA-N 1 0 251.286 1.370 20 5 CDBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccccc1[N+](=O)[O-] ZINC000068806355 351126477 /nfs/dbraw/zinc/12/64/77/351126477.db2.gz PPSLBEMMTBBEBV-LLVKDONJSA-N 1 0 264.329 1.253 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000124793497 351371869 /nfs/dbraw/zinc/37/18/69/351371869.db2.gz MBCPYZNAOXLQDZ-JGVFFNPUSA-N 1 0 269.326 1.608 20 5 CDBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000454353637 252344191 /nfs/dbraw/zinc/34/41/91/252344191.db2.gz JADWGIXWLPQCFL-UHFFFAOYSA-N 1 0 280.328 1.527 20 5 CDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1csc([N+](=O)[O-])c1 ZINC000122180253 187019531 /nfs/dbraw/zinc/01/95/31/187019531.db2.gz FPGDFJRFJYIMAR-NSHDSACASA-N 1 0 271.342 1.760 20 5 CDBDRO Cc1cc(NC[C@H](O)CO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000122210820 187021099 /nfs/dbraw/zinc/02/10/99/187021099.db2.gz WDBYLQDDEFPUIG-JTQLQIEISA-N 1 0 277.280 1.217 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000123060723 187068528 /nfs/dbraw/zinc/06/85/28/187068528.db2.gz KHRXJUJGOBVGHP-JTQLQIEISA-N 1 0 267.260 1.297 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC([NH+](C)C)C1 ZINC000123178383 187076241 /nfs/dbraw/zinc/07/62/41/187076241.db2.gz JWCYTBDIXBXRDA-UHFFFAOYSA-N 1 0 294.311 1.381 20 5 CDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000123215932 187077991 /nfs/dbraw/zinc/07/79/91/187077991.db2.gz WNZMAYUTDMGQGF-SNVBAGLBSA-N 1 0 295.343 1.122 20 5 CDBDRO Cc1nn(C)c(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000292024842 198137611 /nfs/dbraw/zinc/13/76/11/198137611.db2.gz XAINESOXYHMPJT-SECBINFHSA-N 1 0 297.359 1.095 20 5 CDBDRO C[C@@H](CCCC[NH3+])NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000292091225 198160623 /nfs/dbraw/zinc/16/06/23/198160623.db2.gz NEYULZWERKGTLU-NSHDSACASA-N 1 0 279.340 1.771 20 5 CDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)C[NH+](C)C ZINC000292386646 198267853 /nfs/dbraw/zinc/26/78/53/198267853.db2.gz NGVOCUNJARHZOL-MRVPVSSYSA-N 1 0 271.342 1.584 20 5 CDBDRO C[N@H+](CCn1cccn1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154223167 188130203 /nfs/dbraw/zinc/13/02/03/188130203.db2.gz XTSPOKVRFFPHQR-CQSZACIVSA-N 1 0 290.323 1.457 20 5 CDBDRO COc1cc(C(=O)NC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000156698550 188277456 /nfs/dbraw/zinc/27/74/56/188277456.db2.gz TYDXFRJXZYWMRI-SNVBAGLBSA-N 1 0 279.296 1.085 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000158215111 188364266 /nfs/dbraw/zinc/36/42/66/188364266.db2.gz XSTLFGRQMLMCCU-NSHDSACASA-N 1 0 293.323 1.313 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000063169908 363278292 /nfs/dbraw/zinc/27/82/92/363278292.db2.gz BPIBPLUZFXPFKS-ZETCQYMHSA-N 1 0 255.249 1.201 20 5 CDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000236640513 363306779 /nfs/dbraw/zinc/30/67/79/363306779.db2.gz WPIDFYDIBBGFGC-AWEZNQCLSA-N 1 0 294.355 1.496 20 5 CDBDRO [NH3+]C1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000573347212 363390811 /nfs/dbraw/zinc/39/08/11/363390811.db2.gz ANBWBGOQEHXYGW-UHFFFAOYSA-N 1 0 262.313 1.490 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H](CO)C[NH+]2CCCCC2)s1 ZINC000295716157 199632303 /nfs/dbraw/zinc/63/23/03/199632303.db2.gz SNLIHPDSJOQISF-SECBINFHSA-N 1 0 286.357 1.310 20 5 CDBDRO CC(C)(CC(N)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000273526937 192187463 /nfs/dbraw/zinc/18/74/63/192187463.db2.gz QVVUWNWCBLSOAN-UHFFFAOYSA-N 1 0 269.276 1.478 20 5 CDBDRO O=C(CC[C@@H]1CC[NH2+]C1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000134537129 356335619 /nfs/dbraw/zinc/33/56/19/356335619.db2.gz YKTIPBYRXIECJK-CYBMUJFWSA-N 1 0 291.351 1.643 20 5 CDBDRO Cc1c(C[NH2+][C@H](CO)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000359898355 356438371 /nfs/dbraw/zinc/43/83/71/356438371.db2.gz UEVBGBIMDSFREH-CQSZACIVSA-N 1 0 294.351 1.780 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCOCC3)CC2)cn1 ZINC000144843749 356736737 /nfs/dbraw/zinc/73/67/37/356736737.db2.gz OPWKPWLWUXLMKB-UHFFFAOYSA-N 1 0 292.339 1.291 20 5 CDBDRO Cc1nn(C)c(N[C@@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000049558627 357219714 /nfs/dbraw/zinc/21/97/14/357219714.db2.gz HRIVUDIOVWGNDZ-QMMMGPOBSA-N 1 0 255.322 1.389 20 5 CDBDRO Cc1sc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000274221086 357250970 /nfs/dbraw/zinc/25/09/70/357250970.db2.gz YXEJKKMVRZRTMJ-ZDUSSCGKSA-N 1 0 295.364 1.790 20 5 CDBDRO C[C@@H](CNCc1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000311193623 357326250 /nfs/dbraw/zinc/32/62/50/357326250.db2.gz FKJLZTKZARGPHH-VIFPVBQESA-N 1 0 255.293 1.774 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]CC1 ZINC000261857405 357336316 /nfs/dbraw/zinc/33/63/16/357336316.db2.gz QVLSCZCPZVINPI-UHFFFAOYSA-N 1 0 265.313 1.399 20 5 CDBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CCn1cccn1 ZINC000282375174 357340198 /nfs/dbraw/zinc/34/01/98/357340198.db2.gz FMOSGVLWXCLWSD-UHFFFAOYSA-N 1 0 274.324 1.966 20 5 CDBDRO C[NH2+][C@H](C)Cc1noc(-c2ccccc2[N+](=O)[O-])n1 ZINC000261907342 357340709 /nfs/dbraw/zinc/34/07/09/357340709.db2.gz ZFALORZGPHPHBW-MRVPVSSYSA-N 1 0 262.269 1.795 20 5 CDBDRO C[C@H](CCC1CC1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000186424232 357647451 /nfs/dbraw/zinc/64/74/51/357647451.db2.gz AZSDTYYAWVXJLF-SNVBAGLBSA-N 1 0 252.318 1.960 20 5 CDBDRO CC[C@@](C)(O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000187330655 357754702 /nfs/dbraw/zinc/75/47/02/357754702.db2.gz DODQQTIZAXAXPO-OAHLLOKOSA-N 1 0 293.367 1.878 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000188833736 357943304 /nfs/dbraw/zinc/94/33/04/357943304.db2.gz STNINQOWCIWBDE-JQWIXIFHSA-N 1 0 250.298 1.845 20 5 CDBDRO Cc1c(NC(=O)[C@@]2(C)CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000062892932 357974431 /nfs/dbraw/zinc/97/44/31/357974431.db2.gz XHNGNOXEPYWBPH-ZDUSSCGKSA-N 1 0 263.297 1.841 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000189303355 357994516 /nfs/dbraw/zinc/99/45/16/357994516.db2.gz AGQOBRNTCXXGOW-JGVFFNPUSA-N 1 0 253.258 1.058 20 5 CDBDRO CN(C(=O)CCOc1ccccc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000294767475 199173044 /nfs/dbraw/zinc/17/30/44/199173044.db2.gz FRIKBZWEUAMBSH-UHFFFAOYSA-N 1 0 293.323 1.312 20 5 CDBDRO Cc1c(C[NH2+][C@H]2C(=O)NCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000193632117 358310710 /nfs/dbraw/zinc/31/07/10/358310710.db2.gz AYHCSWMFXMSSFU-NOZJJQNGSA-N 1 0 277.324 1.517 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)[C@H](CO)C1 ZINC000361658705 358408459 /nfs/dbraw/zinc/40/84/59/358408459.db2.gz GHIKOVGPLZZBOO-AAEUAGOBSA-N 1 0 264.325 1.963 20 5 CDBDRO CC1(C)C[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000567694169 358721172 /nfs/dbraw/zinc/72/11/72/358721172.db2.gz KDZYDADAOMAJSM-LBPRGKRZSA-N 1 0 298.364 1.757 20 5 CDBDRO CN(CCn1ccc([N+](=O)[O-])n1)Cc1cscn1 ZINC000176217990 358740891 /nfs/dbraw/zinc/74/08/91/358740891.db2.gz BPMTVDLQROSTKO-UHFFFAOYSA-N 1 0 267.314 1.380 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000070172558 358916114 /nfs/dbraw/zinc/91/61/14/358916114.db2.gz RIUJFSLRZFZNIV-ZJUUUORDSA-N 1 0 280.328 1.133 20 5 CDBDRO C[C@H](CS(C)(=O)=O)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000081900591 359433376 /nfs/dbraw/zinc/43/33/76/359433376.db2.gz NNRRRARIALDXAY-NXEZZACHSA-N 1 0 286.353 1.679 20 5 CDBDRO CC1(C)CN(c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000302570840 359468569 /nfs/dbraw/zinc/46/85/69/359468569.db2.gz YZHSXUHMOBGRSI-UHFFFAOYSA-N 1 0 297.330 1.627 20 5 CDBDRO C[NH+](C)C1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000135638464 359810054 /nfs/dbraw/zinc/81/00/54/359810054.db2.gz QDJPDPMFOSAXPB-BQYQJAHWSA-N 1 0 275.308 1.380 20 5 CDBDRO COc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)ccc1[N+](=O)[O-] ZINC000385781373 359932709 /nfs/dbraw/zinc/93/27/09/359932709.db2.gz CGHRKCNDONPDJW-PWSUYJOCSA-N 1 0 291.307 1.037 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C/C=C\c2ccncc2)c1 ZINC000487325777 359958242 /nfs/dbraw/zinc/95/82/42/359958242.db2.gz PFEDLWSZVOORNH-UPHRSURJSA-N 1 0 273.296 1.489 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000054264039 360065913 /nfs/dbraw/zinc/06/59/13/360065913.db2.gz IUCGEHDBBVHCSA-UHFFFAOYSA-N 1 0 265.313 1.633 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000235639834 360217627 /nfs/dbraw/zinc/21/76/27/360217627.db2.gz RWFRPGMFODZMKM-OIBJUYFYSA-N 1 0 283.715 1.667 20 5 CDBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@H]1CCCOC1 ZINC000348150378 360524942 /nfs/dbraw/zinc/52/49/42/360524942.db2.gz YMSNHGMKGQBTBL-MNOVXSKESA-N 1 0 268.317 1.196 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000132801659 360788933 /nfs/dbraw/zinc/78/89/33/360788933.db2.gz QMDZFDZNMBIMCA-LLVKDONJSA-N 1 0 267.260 1.201 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000070175032 296024965 /nfs/dbraw/zinc/02/49/65/296024965.db2.gz HEPCPHJDXGTWHR-MWLCHTKSSA-N 1 0 292.339 1.257 20 5 CDBDRO C[C@]1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCC(=O)N1 ZINC000572497171 360980170 /nfs/dbraw/zinc/98/01/70/360980170.db2.gz FHKYHZWEBTUXBL-SWLSCSKDSA-N 1 0 289.335 1.840 20 5 CDBDRO COc1ccc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000070075883 361238291 /nfs/dbraw/zinc/23/82/91/361238291.db2.gz XFCRFINMFMJWGT-UWVGGRQHSA-N 1 0 293.323 1.426 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000382421621 361350595 /nfs/dbraw/zinc/35/05/95/361350595.db2.gz KIGJCVYWZMYHIX-FXSSULRXSA-N 1 0 289.335 1.852 20 5 CDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000382423629 361353149 /nfs/dbraw/zinc/35/31/49/361353149.db2.gz CUZARMUUVPIVKO-GXSJLCMTSA-N 1 0 278.312 1.844 20 5 CDBDRO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1CC1[N+](=O)[O-] ZINC000367382182 361356161 /nfs/dbraw/zinc/35/61/61/361356161.db2.gz QICYFNUENXSVQW-MWLCHTKSSA-N 1 0 279.271 1.075 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000168694481 361381050 /nfs/dbraw/zinc/38/10/50/361381050.db2.gz YHYXXBZBCPVYMX-GHMZBOCLSA-N 1 0 277.324 1.713 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](C)[NH+](C)C ZINC000455189302 252385131 /nfs/dbraw/zinc/38/51/31/252385131.db2.gz NSYIXAVDTYTVKK-JTQLQIEISA-N 1 0 280.328 1.975 20 5 CDBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000036282995 361421541 /nfs/dbraw/zinc/42/15/41/361421541.db2.gz WVKFDVHRVSZIAG-UHFFFAOYSA-N 1 0 277.324 1.348 20 5 CDBDRO C[C@H](CNc1sccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000301987644 201289198 /nfs/dbraw/zinc/28/91/98/201289198.db2.gz KXXVZWLBTSUZNH-SNVBAGLBSA-N 1 0 284.385 1.704 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCO ZINC000299233927 239345559 /nfs/dbraw/zinc/34/55/59/239345559.db2.gz QYTPWIUQWGNRCO-UHFFFAOYSA-N 1 0 281.312 1.156 20 5 CDBDRO CCOC1CC2(C1)CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000367588406 363998863 /nfs/dbraw/zinc/99/88/63/363998863.db2.gz WOVRXDXNKBNTIS-UHFFFAOYSA-N 1 0 294.355 1.682 20 5 CDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000268200644 364443870 /nfs/dbraw/zinc/44/38/70/364443870.db2.gz OOAICUYVPGGOOW-GWCFXTLKSA-N 1 0 289.335 1.807 20 5 CDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000268200650 364443886 /nfs/dbraw/zinc/44/38/86/364443886.db2.gz OOAICUYVPGGOOW-GXFFZTMASA-N 1 0 289.335 1.807 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000174820725 364574243 /nfs/dbraw/zinc/57/42/43/364574243.db2.gz GMUDKODPRORAOY-LLVKDONJSA-N 1 0 280.328 1.292 20 5 CDBDRO COC(=O)[C@]1(C)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000412065320 239950501 /nfs/dbraw/zinc/95/05/01/239950501.db2.gz KQIOORJPTGXXNM-CYBMUJFWSA-N 1 0 296.327 1.066 20 5 CDBDRO CC[C@](C)([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(N)=O ZINC000133653946 365100454 /nfs/dbraw/zinc/10/04/54/365100454.db2.gz HDPTYUKQTIYOAJ-ZDUSSCGKSA-N 1 0 281.312 1.347 20 5 CDBDRO CC1(C)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[C@H]1O ZINC000275440527 193039504 /nfs/dbraw/zinc/03/95/04/193039504.db2.gz KFANHTBQCIWHQE-ZIAGYGMSSA-N 1 0 294.351 1.721 20 5 CDBDRO CCC[C@@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000270460481 366882179 /nfs/dbraw/zinc/88/21/79/366882179.db2.gz AECPATIQLFCUBS-LLVKDONJSA-N 1 0 267.329 1.877 20 5 CDBDRO O=C(N1CCc2c1cccc2[N+](=O)[O-])[C@@]1(F)CC[NH2+]C1 ZINC000370779904 283895920 /nfs/dbraw/zinc/89/59/20/283895920.db2.gz LTNYEXPBZKFFDH-CYBMUJFWSA-N 1 0 279.271 1.186 20 5 CDBDRO Nc1c(C(=O)NC[C@@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000130487830 367007798 /nfs/dbraw/zinc/00/77/98/367007798.db2.gz XLSFMBHLEPQRMC-VIFPVBQESA-N 1 0 278.312 1.049 20 5 CDBDRO Cc1nc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)ncc1[N+](=O)[O-] ZINC000297361147 367132438 /nfs/dbraw/zinc/13/24/38/367132438.db2.gz CBPFJQADDWBGFM-NWDGAFQWSA-N 1 0 291.355 1.614 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000272198850 367310923 /nfs/dbraw/zinc/31/09/23/367310923.db2.gz GFZZZVRMWXSUNR-YUMQZZPRSA-N 1 0 296.302 1.125 20 5 CDBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000122690228 367679727 /nfs/dbraw/zinc/67/97/27/367679727.db2.gz WFPULNLADYFZJF-SECBINFHSA-N 1 0 268.317 1.368 20 5 CDBDRO Cc1cnc(NC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000090692560 367777644 /nfs/dbraw/zinc/77/76/44/367777644.db2.gz BGZIZQAWAQIQHU-JTQLQIEISA-N 1 0 250.302 1.710 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2C2CCOCC2)c1 ZINC000348950327 368382190 /nfs/dbraw/zinc/38/21/90/368382190.db2.gz PGJIRKFSOHHXMS-AWEZNQCLSA-N 1 0 294.355 1.682 20 5 CDBDRO Cc1nc(N[C@H]2CC[C@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000420273249 244009767 /nfs/dbraw/zinc/00/97/67/244009767.db2.gz LVRZGFFNYGUQIG-IUCAKERBSA-N 1 0 251.290 1.233 20 5 CDBDRO C[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000330673619 203102407 /nfs/dbraw/zinc/10/24/07/203102407.db2.gz PONNIUVADGJIQY-LLVKDONJSA-N 1 0 292.339 1.169 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ncc([N+](=O)[O-])cc1F ZINC000420640214 244305713 /nfs/dbraw/zinc/30/57/13/244305713.db2.gz SQLPXICCHOUNLW-VIFPVBQESA-N 1 0 268.292 1.659 20 5 CDBDRO COc1ccc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000168697564 370969886 /nfs/dbraw/zinc/96/98/86/370969886.db2.gz NCLRPJYRPAJQAK-MWLCHTKSSA-N 1 0 293.323 1.413 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000295198934 369620133 /nfs/dbraw/zinc/62/01/33/369620133.db2.gz JXLRTGVPGCKYJO-JTQLQIEISA-N 1 0 281.312 1.217 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000129902190 370132613 /nfs/dbraw/zinc/13/26/13/370132613.db2.gz ZYPKLRFGCFPGTK-WDEREUQCSA-N 1 0 277.324 1.726 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC1(C[NH3+])CC1 ZINC000422907524 245393411 /nfs/dbraw/zinc/39/34/11/245393411.db2.gz LMTZTPRZWXKSPA-UHFFFAOYSA-N 1 0 263.297 1.971 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@]1(O)CCOC1 ZINC000179025755 372238654 /nfs/dbraw/zinc/23/86/54/372238654.db2.gz QQILCDBLEFOUEI-AWEZNQCLSA-N 1 0 296.323 1.235 20 5 CDBDRO Cc1c(CN[C@H]2C[NH2+]CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000423079922 245548101 /nfs/dbraw/zinc/54/81/01/245548101.db2.gz RMQTUQGPEBUTTO-MFKMUULPSA-N 1 0 263.341 1.991 20 5 CDBDRO [NH3+]C[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000044531669 373028733 /nfs/dbraw/zinc/02/87/33/373028733.db2.gz OAQRUVYLYUYDFS-SECBINFHSA-N 1 0 253.277 1.909 20 5 CDBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@H]1OC ZINC000274935492 373051756 /nfs/dbraw/zinc/05/17/56/373051756.db2.gz PMZWAVJPXWXLDH-HOSYDEDBSA-N 1 0 286.353 1.938 20 5 CDBDRO C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000298362728 373513448 /nfs/dbraw/zinc/51/34/48/373513448.db2.gz RABXHSZKAJXKRN-VIFPVBQESA-N 1 0 251.286 1.275 20 5 CDBDRO CC[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000273032299 373694220 /nfs/dbraw/zinc/69/42/20/373694220.db2.gz DQIHUVVMLHCTBK-LLVKDONJSA-N 1 0 264.329 1.910 20 5 CDBDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296086407 373752891 /nfs/dbraw/zinc/75/28/91/373752891.db2.gz XSHBRFZDXDXNHF-UJNFCWOMSA-N 1 0 251.286 1.351 20 5 CDBDRO Cc1c(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000368424466 373831280 /nfs/dbraw/zinc/83/12/80/373831280.db2.gz KLPLUJNLVNRSJV-YGRLFVJLSA-N 1 0 275.308 1.841 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368382832 373836449 /nfs/dbraw/zinc/83/64/49/373836449.db2.gz AUCJZQZNYNWSGP-GFCCVEGCSA-N 1 0 290.323 1.049 20 5 CDBDRO O=C(C[C@H]1CSCC[NH2+]1)NCc1ccccc1[N+](=O)[O-] ZINC000091290833 373885214 /nfs/dbraw/zinc/88/52/14/373885214.db2.gz HWEBGIXQBIHIJB-NSHDSACASA-N 1 0 295.364 1.306 20 5 CDBDRO CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)NC ZINC000065223126 374256758 /nfs/dbraw/zinc/25/67/58/374256758.db2.gz FSLUHSGMXLBSJG-UHFFFAOYSA-N 1 0 295.339 1.432 20 5 CDBDRO CCOC[C@@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000311673369 374263501 /nfs/dbraw/zinc/26/35/01/374263501.db2.gz IFEOGURAELNHDQ-MFKMUULPSA-N 1 0 268.313 1.643 20 5 CDBDRO C[C@H]([NH3+])CCC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423838830 246132105 /nfs/dbraw/zinc/13/21/05/246132105.db2.gz HNBSWKWDWCMYLU-QMMMGPOBSA-N 1 0 285.731 1.992 20 5 CDBDRO C[C@@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]C1 ZINC000423843551 246138723 /nfs/dbraw/zinc/13/87/23/246138723.db2.gz LAGFUVGAQGTTMA-CYBMUJFWSA-N 1 0 297.742 1.864 20 5 CDBDRO C[C@H](CO)[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000347173506 374409881 /nfs/dbraw/zinc/40/98/81/374409881.db2.gz TULXNTBGXAEJRG-LLVKDONJSA-N 1 0 282.344 1.417 20 5 CDBDRO O=C1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)[C@H]2CCCCN12 ZINC000376588525 374564880 /nfs/dbraw/zinc/56/48/80/374564880.db2.gz CRSWZDZYRAKSRS-ZIAGYGMSSA-N 1 0 289.335 1.838 20 5 CDBDRO C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1C[NH3+] ZINC000424028705 246297789 /nfs/dbraw/zinc/29/77/89/246297789.db2.gz YXTSCGXBGSDXEH-VHSXEESVSA-N 1 0 292.339 1.234 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1[NH3+] ZINC000070145663 374650862 /nfs/dbraw/zinc/65/08/62/374650862.db2.gz JFNLIXBRKROIHV-SFYZADRCSA-N 1 0 269.326 1.466 20 5 CDBDRO Cc1ccc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000280198947 374986032 /nfs/dbraw/zinc/98/60/32/374986032.db2.gz HVUCNSHQCYIDMM-AWEZNQCLSA-N 1 0 277.324 1.601 20 5 CDBDRO Cc1c(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000331545326 374971753 /nfs/dbraw/zinc/97/17/53/374971753.db2.gz RAOHYXYBIHWHAE-NSHDSACASA-N 1 0 289.335 1.870 20 5 CDBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000282331831 375079494 /nfs/dbraw/zinc/07/94/94/375079494.db2.gz LRSNXTYLTHJVJZ-CYBMUJFWSA-N 1 0 293.323 1.184 20 5 CDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000332732602 375047057 /nfs/dbraw/zinc/04/70/57/375047057.db2.gz UVWNMUZSORMUSL-LLVKDONJSA-N 1 0 294.355 1.727 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])C[C@H]12 ZINC000351482125 375301422 /nfs/dbraw/zinc/30/14/22/375301422.db2.gz YYPPHNQHDWTACG-GBIKHYSHSA-N 1 0 279.315 1.903 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@H](CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000049480201 375447241 /nfs/dbraw/zinc/44/72/41/375447241.db2.gz MKTLISYYHVASNJ-LLVKDONJSA-N 1 0 281.360 1.861 20 5 CDBDRO CCc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000352761455 375534655 /nfs/dbraw/zinc/53/46/55/375534655.db2.gz XPTFUAJORBHBTR-UHFFFAOYSA-N 1 0 275.312 1.539 20 5 CDBDRO C[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000293987989 375588552 /nfs/dbraw/zinc/58/85/52/375588552.db2.gz XXRRBNHBVHTRNW-LLVKDONJSA-N 1 0 294.355 1.321 20 5 CDBDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1cccc([N+](=O)[O-])c1 ZINC000293992294 375592360 /nfs/dbraw/zinc/59/23/60/375592360.db2.gz CBASWHAWTSCVOH-HONMWMINSA-N 1 0 280.324 1.785 20 5 CDBDRO CCC[NH2+][C@H](C)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000296327924 375560017 /nfs/dbraw/zinc/56/00/17/375560017.db2.gz HMUSWAOGHWMCQK-LLVKDONJSA-N 1 0 279.340 1.941 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CC(N)=O ZINC000344842174 375564811 /nfs/dbraw/zinc/56/48/11/375564811.db2.gz VNXDSLURNSZILA-SECBINFHSA-N 1 0 281.312 1.347 20 5 CDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000344921189 375657988 /nfs/dbraw/zinc/65/79/88/375657988.db2.gz NWVNUMGPHZQBCS-SNVBAGLBSA-N 1 0 292.339 1.343 20 5 CDBDRO COc1ccc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000227971044 375658883 /nfs/dbraw/zinc/65/88/83/375658883.db2.gz UTSLKGFMKPZJHX-HZMBPMFUSA-N 1 0 296.323 1.233 20 5 CDBDRO Cc1ccnc(N2C[C@H](C[NH3+])C[C@H]2C)c1[N+](=O)[O-] ZINC000228083449 375687490 /nfs/dbraw/zinc/68/74/90/375687490.db2.gz LYCKPBUDIVKVHB-ZJUUUORDSA-N 1 0 250.302 1.472 20 5 CDBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354742758 375746489 /nfs/dbraw/zinc/74/64/89/375746489.db2.gz VCWJQOHVCOTVSN-JTQLQIEISA-N 1 0 294.355 1.637 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358395562 375963844 /nfs/dbraw/zinc/96/38/44/375963844.db2.gz OAZWCMVIXOGXGE-SNVBAGLBSA-N 1 0 297.330 1.733 20 5 CDBDRO CCOc1ccc(C(=O)NC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000429192676 247435969 /nfs/dbraw/zinc/43/59/69/247435969.db2.gz IMPKZNHGHGLHIY-LLVKDONJSA-N 1 0 295.339 1.707 20 5 CDBDRO CC1=CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000358062340 375950658 /nfs/dbraw/zinc/95/06/58/375950658.db2.gz HMGLXFHCGLZWSY-UHFFFAOYSA-N 1 0 278.312 1.305 20 5 CDBDRO C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000430961066 247740119 /nfs/dbraw/zinc/74/01/19/247740119.db2.gz MEDRAUVRQBAYCG-RYUDHWBXSA-N 1 0 279.340 1.656 20 5 CDBDRO C[NH2+]CCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000435883373 248205348 /nfs/dbraw/zinc/20/53/48/248205348.db2.gz KEISQRZSPNPODH-NSHDSACASA-N 1 0 279.344 1.086 20 5 CDBDRO Cc1nn(C)c(N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000571862836 377568110 /nfs/dbraw/zinc/56/81/10/377568110.db2.gz SYAKJUSQRBGPIA-AWEZNQCLSA-N 1 0 293.371 1.559 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1cccc([N+](=O)[O-])c1 ZINC000094567445 377849684 /nfs/dbraw/zinc/84/96/84/377849684.db2.gz XSRHOAYKXAXCKF-BIMULSAOSA-N 1 0 293.323 1.278 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173177823 378029870 /nfs/dbraw/zinc/02/98/70/378029870.db2.gz ZITKSYGQPWPKLL-LBPRGKRZSA-N 1 0 277.324 1.205 20 5 CDBDRO Nc1c(F)c(N2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000266872624 378213445 /nfs/dbraw/zinc/21/34/45/378213445.db2.gz UJNGDWRNFTYDHR-UHFFFAOYSA-N 1 0 294.330 1.848 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCOC2)n1 ZINC000447564108 250388304 /nfs/dbraw/zinc/38/83/04/250388304.db2.gz UYUQTDPBFWCABB-JHJVBQTASA-N 1 0 294.355 1.901 20 5 CDBDRO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCS1 ZINC000174846850 379592652 /nfs/dbraw/zinc/59/26/52/379592652.db2.gz JFJFPVZDBVLMNB-VIFPVBQESA-N 1 0 256.331 1.229 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000449596567 250925718 /nfs/dbraw/zinc/92/57/18/250925718.db2.gz XSIDUOXCSJAPSB-YUMQZZPRSA-N 1 0 267.285 1.069 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000449642234 250946825 /nfs/dbraw/zinc/94/68/25/250946825.db2.gz FYBFXFZXQWEACP-DTWKUNHWSA-N 1 0 266.301 1.170 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000453041489 252259686 /nfs/dbraw/zinc/25/96/86/252259686.db2.gz UQMVFBJNBDWZEL-RNCFNFMXSA-N 1 0 293.298 1.510 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493185598 253392126 /nfs/dbraw/zinc/39/21/26/253392126.db2.gz JDRKMWSXPOYPND-RNEXMXFGSA-N 1 0 281.287 1.553 20 5 CDBDRO CC(C)[C@@](C)([NH2+]CCOc1ccccc1[N+](=O)[O-])C(N)=O ZINC000289300463 197289076 /nfs/dbraw/zinc/28/90/76/197289076.db2.gz IETUJFJFETUHGU-CQSZACIVSA-N 1 0 295.339 1.463 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCOC2)n1 ZINC000447573504 285168518 /nfs/dbraw/zinc/16/85/18/285168518.db2.gz HUKLMNYVYWUYJQ-SDDRHHMPSA-N 1 0 280.328 1.654 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000285945615 390186968 /nfs/dbraw/zinc/18/69/68/390186968.db2.gz GCFWHMLSXWXHRC-VYUIOLGVSA-N 1 0 292.339 1.293 20 5 CDBDRO COC[C@@](C)([NH3+])CNc1c(F)cccc1[N+](=O)[O-] ZINC000286025663 390189067 /nfs/dbraw/zinc/18/90/67/390189067.db2.gz ATOASOAQUVCCBQ-NSHDSACASA-N 1 0 257.265 1.510 20 5 CDBDRO COCC[C@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000281804041 195387924 /nfs/dbraw/zinc/38/79/24/195387924.db2.gz YMVGTJSKVMVXKO-ZYHUDNBSSA-N 1 0 268.313 1.643 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CC2CCC1CC2 ZINC000433057070 390494814 /nfs/dbraw/zinc/49/48/14/390494814.db2.gz KBMDHLVKPINWDE-ILDUYXDCSA-N 1 0 264.329 1.997 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000262055150 390496063 /nfs/dbraw/zinc/49/60/63/390496063.db2.gz HWEAJPZFLCTWPX-PRHODGIISA-N 1 0 278.312 1.034 20 5 CDBDRO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000048909448 390465124 /nfs/dbraw/zinc/46/51/24/390465124.db2.gz ZBQWCLFQETZTEB-SNVBAGLBSA-N 1 0 264.285 1.420 20 5 CDBDRO Cc1cc(N2CC[C@]3(CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC000261585039 390475830 /nfs/dbraw/zinc/47/58/30/390475830.db2.gz IDSGUOWPPGMNTI-ZDUSSCGKSA-N 1 0 262.313 1.488 20 5 CDBDRO CO[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000451496797 390626612 /nfs/dbraw/zinc/62/66/12/390626612.db2.gz MHQLZSLCDUUWJC-UWVGGRQHSA-N 1 0 268.317 1.231 20 5 CDBDRO COc1cc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000320130842 390629441 /nfs/dbraw/zinc/62/94/41/390629441.db2.gz QXEXBWGSZUKJDZ-IUCAKERBSA-N 1 0 281.312 1.459 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1[N+](=O)[O-] ZINC000127570355 390663758 /nfs/dbraw/zinc/66/37/58/390663758.db2.gz QUAFSESBLOVALF-NEPJUHHUSA-N 1 0 289.335 1.870 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000164002421 390941564 /nfs/dbraw/zinc/94/15/64/390941564.db2.gz QBVVPJXHTNCLDN-MWLCHTKSSA-N 1 0 281.360 1.541 20 5 CDBDRO CCC[NH+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000179277999 390952093 /nfs/dbraw/zinc/95/20/93/390952093.db2.gz PGXYYELNSICMJC-UHFFFAOYSA-N 1 0 290.327 1.170 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000235685352 390922610 /nfs/dbraw/zinc/92/26/10/390922610.db2.gz XHHRQNJNQLEKMI-JQWIXIFHSA-N 1 0 277.324 1.774 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C)C[NH2+]C ZINC000129584155 390989666 /nfs/dbraw/zinc/98/96/66/390989666.db2.gz LFKFCVVBKLGXEN-MRVPVSSYSA-N 1 0 255.322 1.387 20 5 CDBDRO C[C@@H]1C[C@H](O)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000412039927 391064852 /nfs/dbraw/zinc/06/48/52/391064852.db2.gz JVYRFEXWQGORGX-YPMHNXCESA-N 1 0 280.324 1.676 20 5 CDBDRO [NH3+]C[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CCCO1 ZINC000415116544 391259828 /nfs/dbraw/zinc/25/98/28/391259828.db2.gz VYKILSYZPBDJGP-ZRFDWSJLSA-N 1 0 291.351 1.658 20 5 CDBDRO Cc1ccc(CNC[C@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000415032610 391247994 /nfs/dbraw/zinc/24/79/94/391247994.db2.gz GBEYJCLTJQFQDA-CYBMUJFWSA-N 1 0 279.340 1.371 20 5 CDBDRO CC(C)c1ccc(CNC[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000415097161 391257003 /nfs/dbraw/zinc/25/70/03/391257003.db2.gz RVTXEKFNCZGDPA-CYBMUJFWSA-N 1 0 293.367 1.796 20 5 CDBDRO C[C@H]([NH2+]CC(=O)NCC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294055434 391323454 /nfs/dbraw/zinc/32/34/54/391323454.db2.gz GVNQOGGCVOBARY-VIFPVBQESA-N 1 0 292.339 1.354 20 5 CDBDRO Cc1cc(NC(=O)N2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000415415750 391405555 /nfs/dbraw/zinc/40/55/55/391405555.db2.gz IXEQQZQMRXIPLE-UHFFFAOYSA-N 1 0 278.312 1.858 20 5 CDBDRO Cc1nn(C)c(N2CC[C@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000408100960 391360289 /nfs/dbraw/zinc/36/02/89/391360289.db2.gz XQXJBPXZCWSTCZ-LBPRGKRZSA-N 1 0 293.371 1.701 20 5 CDBDRO C[NH2+]CCN(C)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000415435824 391430900 /nfs/dbraw/zinc/43/09/00/391430900.db2.gz NPVQHBCUAZIDNX-UHFFFAOYSA-N 1 0 266.301 1.586 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000415627861 391469554 /nfs/dbraw/zinc/46/95/54/391469554.db2.gz CZHAAQFCQNDILN-WPRPVWTQSA-N 1 0 296.302 1.996 20 5 CDBDRO C[C@@H]([NH3+])CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415631318 391470442 /nfs/dbraw/zinc/47/04/42/391470442.db2.gz MJXSFJZOGHQLME-SSDOTTSWSA-N 1 0 270.264 1.593 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H](C)C[NH3+] ZINC000415767291 391471311 /nfs/dbraw/zinc/47/13/11/391471311.db2.gz UFEQGQKWUJEODG-SECBINFHSA-N 1 0 280.328 1.968 20 5 CDBDRO CCOC[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268973551 391477461 /nfs/dbraw/zinc/47/74/61/391477461.db2.gz INSZDWGWWQRORQ-WCQYABFASA-N 1 0 282.340 1.951 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000133312795 391641672 /nfs/dbraw/zinc/64/16/72/391641672.db2.gz OPAQGSJXGBGDMP-JTQLQIEISA-N 1 0 250.302 1.486 20 5 CDBDRO C[N@H+](CCNc1cccc(C(N)=O)c1[N+](=O)[O-])C1CC1 ZINC000341851644 130093905 /nfs/dbraw/zinc/09/39/05/130093905.db2.gz ZDWRQXXWWPPUKA-UHFFFAOYSA-N 1 0 278.312 1.200 20 5 CDBDRO [NH3+]C1(CNCCOc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000342104104 130262606 /nfs/dbraw/zinc/26/26/06/130262606.db2.gz NFHOUCMPXIACCK-UHFFFAOYSA-N 1 0 265.313 1.445 20 5 CDBDRO CC(C)(O)C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000189911712 391809336 /nfs/dbraw/zinc/80/93/36/391809336.db2.gz DZAUYTVBJDUUHY-UHFFFAOYSA-N 1 0 268.317 1.027 20 5 CDBDRO C[C@@H]([NH3+])CCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000193185564 130594820 /nfs/dbraw/zinc/59/48/20/130594820.db2.gz KULIDJVKHQSCED-SECBINFHSA-N 1 0 263.297 1.611 20 5 CDBDRO CC(C)[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000592248313 392097190 /nfs/dbraw/zinc/09/71/90/392097190.db2.gz YUHOCHIEHIFGDQ-CYBMUJFWSA-N 1 0 291.351 1.594 20 5 CDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CC[NH3+] ZINC000237256124 131018644 /nfs/dbraw/zinc/01/86/44/131018644.db2.gz NLSCSDDMXFGIHK-UHFFFAOYSA-N 1 0 271.704 1.555 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000237527095 131038333 /nfs/dbraw/zinc/03/83/33/131038333.db2.gz HDQORRILFKWLFI-JQWIXIFHSA-N 1 0 277.324 1.690 20 5 CDBDRO Cn1cncc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000237930329 131066810 /nfs/dbraw/zinc/06/68/10/131066810.db2.gz ALTLLZNNRPQKIB-UHFFFAOYSA-N 1 0 260.297 1.661 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[NH2+]CC1 ZINC000238066829 131075595 /nfs/dbraw/zinc/07/55/95/131075595.db2.gz BUCZOADFGIIDDI-UHFFFAOYSA-N 1 0 277.324 1.349 20 5 CDBDRO Cc1c(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000261739844 131165703 /nfs/dbraw/zinc/16/57/03/131165703.db2.gz RZTDJCQFWFOLMF-VXGBXAGGSA-N 1 0 289.335 1.585 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261748700 131166099 /nfs/dbraw/zinc/16/60/99/131166099.db2.gz SYFIGMMDCIROFO-CHWSQXEVSA-N 1 0 289.335 1.205 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261806092 131170166 /nfs/dbraw/zinc/17/01/66/131170166.db2.gz ZHAPZFGPRKOEFF-NOZJJQNGSA-N 1 0 293.298 1.558 20 5 CDBDRO CCc1ccc(C(=O)NC[C@H](C)[NH2+]C)cc1[N+](=O)[O-] ZINC000261842406 131172985 /nfs/dbraw/zinc/17/29/85/131172985.db2.gz WJTRJHYRNJPNLB-VIFPVBQESA-N 1 0 265.313 1.495 20 5 CDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC1CC[NH2+]CC1 ZINC000262511678 131227766 /nfs/dbraw/zinc/22/77/66/131227766.db2.gz NMMQSWNODOJQMV-UHFFFAOYSA-N 1 0 293.323 1.232 20 5 CDBDRO Nc1ccc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000262629873 131243864 /nfs/dbraw/zinc/24/38/64/131243864.db2.gz NHYQQKSDGMVIAZ-JQWIXIFHSA-N 1 0 292.339 1.424 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262749343 131258086 /nfs/dbraw/zinc/25/80/86/131258086.db2.gz JTJHSMCIOQGSGV-PRHODGIISA-N 1 0 297.742 1.976 20 5 CDBDRO CCc1nn(C)c(N2CCC([C@@H](C)[NH3+])CC2)c1[N+](=O)[O-] ZINC000091562589 392758344 /nfs/dbraw/zinc/75/83/44/392758344.db2.gz IJZILTVUGCUGMS-SECBINFHSA-N 1 0 281.360 1.454 20 5 CDBDRO CO[C@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCOC1 ZINC000122897095 392697974 /nfs/dbraw/zinc/69/79/74/392697974.db2.gz DSMXTXULSNTPMS-NSHDSACASA-N 1 0 272.326 1.551 20 5 CDBDRO Cc1cccc(C(=O)NCC[N@H+]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000524720998 392919327 /nfs/dbraw/zinc/91/93/27/392919327.db2.gz WWQUTUMCSZCXJN-NSHDSACASA-N 1 0 291.351 1.975 20 5 CDBDRO C[NH2+]CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418333686 392880823 /nfs/dbraw/zinc/88/08/23/392880823.db2.gz SFZJSDLBGZZKIS-UHFFFAOYSA-N 1 0 292.339 1.488 20 5 CDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC(=O)N(C)C1 ZINC000268861692 132078365 /nfs/dbraw/zinc/07/83/65/132078365.db2.gz ROEOEPYOQOUEBH-YPMHNXCESA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@H]1CC[N@H+](CCNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000525804400 392937602 /nfs/dbraw/zinc/93/76/02/392937602.db2.gz VLTWTZXGTFETBX-LBPRGKRZSA-N 1 0 291.351 1.595 20 5 CDBDRO [NH3+]C1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000269122173 132116004 /nfs/dbraw/zinc/11/60/04/132116004.db2.gz UOPUUUVITJJOSH-UHFFFAOYSA-N 1 0 283.715 1.812 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]1 ZINC000423232138 392960107 /nfs/dbraw/zinc/96/01/07/392960107.db2.gz HNGPYCRAJLXHCP-YPMHNXCESA-N 1 0 263.341 1.867 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C[N@@H+]1C1CC1 ZINC000531005133 393056984 /nfs/dbraw/zinc/05/69/84/393056984.db2.gz DOKUCUZXAODXPM-UWVGGRQHSA-N 1 0 292.339 1.288 20 5 CDBDRO COCCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447507715 393114737 /nfs/dbraw/zinc/11/47/37/393114737.db2.gz INPWAZJPTQPKHR-NWDGAFQWSA-N 1 0 282.344 1.901 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000449586388 393135358 /nfs/dbraw/zinc/13/53/58/393135358.db2.gz GBPMOIOZBNCAKA-BDAKNGLRSA-N 1 0 283.353 1.539 20 5 CDBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000449658820 393137472 /nfs/dbraw/zinc/13/74/72/393137472.db2.gz UNSJXOZTMJFGIR-SNVBAGLBSA-N 1 0 285.250 1.322 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000278862432 393143209 /nfs/dbraw/zinc/14/32/09/393143209.db2.gz YJNUMJKTXCPFOO-TXEJJXNPSA-N 1 0 261.325 1.901 20 5 CDBDRO COCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCC[C@@H]1C ZINC000487981080 393378994 /nfs/dbraw/zinc/37/89/94/393378994.db2.gz NGGHZFOVWGEWJT-NWDGAFQWSA-N 1 0 296.371 1.965 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C1 ZINC000179019286 140011556 /nfs/dbraw/zinc/01/15/56/140011556.db2.gz JGFSCOCCFTXOGF-JTQLQIEISA-N 1 0 295.314 1.724 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000189313854 140112831 /nfs/dbraw/zinc/11/28/31/140112831.db2.gz ZUXANCIOWJJLKK-JGVFFNPUSA-N 1 0 269.326 1.527 20 5 CDBDRO CC1(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000229625145 140203483 /nfs/dbraw/zinc/20/34/83/140203483.db2.gz VRXWVMIWBRTLLR-UHFFFAOYSA-N 1 0 278.312 1.858 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000232231925 140221270 /nfs/dbraw/zinc/22/12/70/140221270.db2.gz SCPQYMKNTVPYCC-SNVBAGLBSA-N 1 0 263.297 1.467 20 5 CDBDRO COC[C@@]1(CNc2ccc([N+](=O)[O-])nc2)CCC[NH2+]1 ZINC000261576413 140352971 /nfs/dbraw/zinc/35/29/71/140352971.db2.gz CBXZSQAXEXVSSZ-LBPRGKRZSA-N 1 0 266.301 1.170 20 5 CDBDRO C[C@]1(C[NH3+])CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000261616221 140364314 /nfs/dbraw/zinc/36/43/14/140364314.db2.gz TZPVWXBKLAMKJM-CYBMUJFWSA-N 1 0 263.297 1.406 20 5 CDBDRO COc1cc(N2CC[C@H]([C@H](C)[NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000261648673 140368705 /nfs/dbraw/zinc/36/87/05/140368705.db2.gz PTLVQIURJDJWOK-IUCAKERBSA-N 1 0 283.303 1.916 20 5 CDBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H](C[NH3+])C1CC1 ZINC000261667652 140372562 /nfs/dbraw/zinc/37/25/62/140372562.db2.gz ZVEQFZFWRSQEBR-ZDUSSCGKSA-N 1 0 267.304 1.903 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261723284 140379864 /nfs/dbraw/zinc/37/98/64/140379864.db2.gz QJCJKLNNTAVSFO-ZLKJLUDKSA-N 1 0 291.351 1.773 20 5 CDBDRO COc1cc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000261760375 140385959 /nfs/dbraw/zinc/38/59/59/140385959.db2.gz UWKSFSMZSXTLLI-ONGXEEELSA-N 1 0 295.314 1.931 20 5 CDBDRO [NH3+]C1(c2noc(COc3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000261855663 140398875 /nfs/dbraw/zinc/39/88/75/140398875.db2.gz TYJJLBXHJADUIN-UHFFFAOYSA-N 1 0 290.279 1.895 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000261616224 289162454 /nfs/dbraw/zinc/16/24/54/289162454.db2.gz TZPVWXBKLAMKJM-ZDUSSCGKSA-N 1 0 263.297 1.406 20 5 CDBDRO COc1cc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000488744937 398133515 /nfs/dbraw/zinc/13/35/15/398133515.db2.gz AJKAOAVQKFDZSW-PWSUYJOCSA-N 1 0 280.324 1.806 20 5 CDBDRO COc1cc(N2CC[C@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000094342479 147085477 /nfs/dbraw/zinc/08/54/77/147085477.db2.gz ZLBHMWRJAYSOAJ-ONGXEEELSA-N 1 0 265.313 1.777 20 5 CDBDRO C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000119396353 147316851 /nfs/dbraw/zinc/31/68/51/147316851.db2.gz GMKHSAARHHTUOU-QMMMGPOBSA-N 1 0 283.332 1.024 20 5 CDBDRO Nc1ccc(C(=O)NC2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000262544254 149074981 /nfs/dbraw/zinc/07/49/81/149074981.db2.gz IZZKTAZQERFGCC-UHFFFAOYSA-N 1 0 278.312 1.177 20 5 CDBDRO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1O ZINC000352657652 155327346 /nfs/dbraw/zinc/32/73/46/155327346.db2.gz BIVQGIJSUUITHY-STQMWFEESA-N 1 0 293.323 1.379 20 5 CDBDRO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343438824 152177292 /nfs/dbraw/zinc/17/72/92/152177292.db2.gz LUJNEIAQJSNQOJ-GXFFZTMASA-N 1 0 277.324 1.807 20 5 CDBDRO CSc1ccc(C(=O)N[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000346170511 153081704 /nfs/dbraw/zinc/08/17/04/153081704.db2.gz WBHCRQBFWKYFHX-SECBINFHSA-N 1 0 297.380 1.997 20 5 CDBDRO COc1ccc(CN2CC[NH2+][C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000346684195 153271857 /nfs/dbraw/zinc/27/18/57/153271857.db2.gz RJIINFYZSLPBDA-MNOVXSKESA-N 1 0 279.340 1.786 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH+](CC2CC2)CC2CC2)c1 ZINC000350057939 154315089 /nfs/dbraw/zinc/31/50/89/154315089.db2.gz BMJRMAICVQMCJM-UHFFFAOYSA-N 1 0 264.329 1.913 20 5 CDBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C[C@@H](C)O ZINC000352220953 155033067 /nfs/dbraw/zinc/03/30/67/155033067.db2.gz KKFGNKFNRJKSPG-SNVBAGLBSA-N 1 0 268.313 1.806 20 5 CDBDRO CC[N@H+](C[C@@H](C)O)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000352230840 155042938 /nfs/dbraw/zinc/04/29/38/155042938.db2.gz MLBXSSDAYIXIAO-GHMZBOCLSA-N 1 0 295.339 1.625 20 5 CDBDRO C[N@@H+]1CCC[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000353783783 156081474 /nfs/dbraw/zinc/08/14/74/156081474.db2.gz CCXCKMCSFLIDDM-ZDUSSCGKSA-N 1 0 292.339 1.217 20 5 CDBDRO CSc1cccc(C(=O)N(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000362924080 159269256 /nfs/dbraw/zinc/26/92/56/159269256.db2.gz WFBQDYKYWXHNKN-UHFFFAOYSA-N 1 0 297.380 1.950 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000372961879 160161114 /nfs/dbraw/zinc/16/11/14/160161114.db2.gz UZKNXGWAMCLDAP-WCQYABFASA-N 1 0 289.335 1.348 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285059711 196188062 /nfs/dbraw/zinc/18/80/62/196188062.db2.gz ITJITVSCMUUVEI-JFGNBEQYSA-N 1 0 277.324 1.765 20 5 CDBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCn1ccnc1 ZINC000285433979 196284090 /nfs/dbraw/zinc/28/40/90/196284090.db2.gz WYDZEPAWVSLCIX-UHFFFAOYSA-N 1 0 274.324 1.966 20 5 CDBDRO CC[C@@H]1CCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000285601639 196340354 /nfs/dbraw/zinc/34/03/54/196340354.db2.gz BWLOQWYFDOCHJG-DGCLKSJQSA-N 1 0 279.340 1.925 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000038049198 174060089 /nfs/dbraw/zinc/06/00/89/174060089.db2.gz DPKUULZSYCKDTK-WGVUZWOWSA-N 1 0 289.335 1.994 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000040595987 174348973 /nfs/dbraw/zinc/34/89/73/174348973.db2.gz AEICETJFMXFMRM-SNVBAGLBSA-N 1 0 280.328 1.005 20 5 CDBDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676221 174374015 /nfs/dbraw/zinc/37/40/15/174374015.db2.gz AYZCJNKQXVUTTH-GWCFXTLKSA-N 1 0 279.340 1.627 20 5 CDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000044491641 175180418 /nfs/dbraw/zinc/18/04/18/175180418.db2.gz XRTNYDXFISDGAM-NSHDSACASA-N 1 0 263.297 1.467 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000044564366 175207700 /nfs/dbraw/zinc/20/77/00/175207700.db2.gz NEVNURSJEUFTBI-LLVKDONJSA-N 1 0 295.314 1.948 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000070447184 175938844 /nfs/dbraw/zinc/93/88/44/175938844.db2.gz RPQZIIDBCUARHS-KTRBRXNASA-N 1 0 277.324 1.708 20 5 CDBDRO CCCN(c1ccc([N+](=O)[O-])cn1)[C@@H]1CC[NH2+]C1 ZINC000071332353 176125695 /nfs/dbraw/zinc/12/56/95/176125695.db2.gz QNPIFSCFELWQCW-SNVBAGLBSA-N 1 0 250.302 1.568 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000088059072 260253127 /nfs/dbraw/zinc/25/31/27/260253127.db2.gz SWVDKEQGPUBDPH-MVIFTORASA-N 1 0 275.308 1.428 20 5 CDBDRO CN(C(=O)/C=C\c1cccc([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000313486510 260298289 /nfs/dbraw/zinc/29/82/89/260298289.db2.gz CPLHIEJMXZUVJZ-PODYEWJSSA-N 1 0 289.335 1.804 20 5 CDBDRO C[NH+]1CCC(N(CCO)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105928012 270236621 /nfs/dbraw/zinc/23/66/21/270236621.db2.gz KLQRCSYQMALOOB-UHFFFAOYSA-N 1 0 293.367 1.483 20 5 CDBDRO COc1ccc(NC(=O)[C@@H]([NH3+])C2CCC2)cc1[N+](=O)[O-] ZINC000399125016 270368260 /nfs/dbraw/zinc/36/82/60/270368260.db2.gz RMSOXWYYWNCYGL-LBPRGKRZSA-N 1 0 279.296 1.669 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000262499374 273686856 /nfs/dbraw/zinc/68/68/56/273686856.db2.gz XUAKIHQTPGUUOV-MRVPVSSYSA-N 1 0 285.731 1.976 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000133276559 273964745 /nfs/dbraw/zinc/96/47/45/273964745.db2.gz WUFVYRXXYAKNLT-JTQLQIEISA-N 1 0 253.277 1.922 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000261865408 274239492 /nfs/dbraw/zinc/23/94/92/274239492.db2.gz YLWHKDSAPHGOAQ-HTQZYQBOSA-N 1 0 293.352 1.773 20 5 CDBDRO [NH3+][C@H]1CC[C@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000262633992 274963298 /nfs/dbraw/zinc/96/32/98/274963298.db2.gz LXKJGYFIHVHGSB-UWVGGRQHSA-N 1 0 275.308 1.611 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418230857 277752418 /nfs/dbraw/zinc/75/24/18/277752418.db2.gz KCOMFJKQHCSMBZ-GWCFXTLKSA-N 1 0 294.355 1.938 20 5 CDBDRO COc1cc(N2CCC[C@@H]([NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000227859879 277825255 /nfs/dbraw/zinc/82/52/55/277825255.db2.gz NFJPLLBAZHVUDR-MRVPVSSYSA-N 1 0 269.276 1.670 20 5 CDBDRO C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000133944630 278294388 /nfs/dbraw/zinc/29/43/88/278294388.db2.gz IEJHBJQYUIBDQQ-WCQYABFASA-N 1 0 279.340 1.451 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000261592839 278314093 /nfs/dbraw/zinc/31/40/93/278314093.db2.gz YTFNXDUMXKHLQA-RKDXNWHRSA-N 1 0 253.277 1.907 20 5 CDBDRO Cc1cccc(C(=O)NCC2([NH3+])CCC2)c1[N+](=O)[O-] ZINC000230066027 278911874 /nfs/dbraw/zinc/91/18/74/278911874.db2.gz MHTFYXLQLMFSKG-UHFFFAOYSA-N 1 0 263.297 1.514 20 5 CDBDRO CC[NH2+]CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000054263409 279184291 /nfs/dbraw/zinc/18/42/91/279184291.db2.gz WHCLCRDBAKEALW-VOTSOKGWSA-N 1 0 263.297 1.334 20 5 CDBDRO C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2F)[C@@H](C[NH3+])C1 ZINC000420256064 279731228 /nfs/dbraw/zinc/73/12/28/279731228.db2.gz GRTJOHLNASWCGG-DTWKUNHWSA-N 1 0 268.292 1.693 20 5 CDBDRO Cc1c(C(=O)NC[C@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000194732157 280052195 /nfs/dbraw/zinc/05/21/95/280052195.db2.gz KWXRZRPNSKOEPW-LLVKDONJSA-N 1 0 277.324 1.727 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000237451953 280176083 /nfs/dbraw/zinc/17/60/83/280176083.db2.gz HHNUOUMUPLGYFD-FGEFZZPRSA-N 1 0 263.297 1.414 20 5 CDBDRO [NH3+]C[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000237855559 280190141 /nfs/dbraw/zinc/19/01/41/280190141.db2.gz SQFNSNBUJCNFNR-LLVKDONJSA-N 1 0 293.323 1.171 20 5 CDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]([NH3+])C1 ZINC000021515418 280259593 /nfs/dbraw/zinc/25/95/93/280259593.db2.gz FFLJHFIAEKFOGP-JTQLQIEISA-N 1 0 299.352 1.015 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000517330744 280997224 /nfs/dbraw/zinc/99/72/24/280997224.db2.gz HBQSBCYQNPGAFU-MFKMUULPSA-N 1 0 290.323 1.729 20 5 CDBDRO Cc1cccc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000261610187 281229170 /nfs/dbraw/zinc/22/91/70/281229170.db2.gz SHPWMCOYTSYCTL-NEPJUHHUSA-N 1 0 261.325 1.949 20 5 CDBDRO Cc1cnc(NC[C@@H](O)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000172807556 281629242 /nfs/dbraw/zinc/62/92/42/281629242.db2.gz YMYKJISQKUJYBC-GFCCVEGCSA-N 1 0 294.355 1.557 20 5 CDBDRO Cc1nc(N2CCC[C@@H](C)[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000420181137 281925452 /nfs/dbraw/zinc/92/54/52/281925452.db2.gz DRVDEORIJWZOLF-PSASIEDQSA-N 1 0 265.317 1.257 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000189322751 288852718 /nfs/dbraw/zinc/85/27/18/288852718.db2.gz DNOPBOQVKDRHLT-CABZTGNLSA-N 1 0 299.352 1.014 20 5 CDBDRO Cc1cc(C(=O)N2CCCO[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000313344622 289430878 /nfs/dbraw/zinc/43/08/78/289430878.db2.gz PSLNDSNBITZUEB-LBPRGKRZSA-N 1 0 293.323 1.093 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CCN(C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178657888 290015931 /nfs/dbraw/zinc/01/59/31/290015931.db2.gz AHAUNYWSHLGNCH-JOYOIKCWSA-N 1 0 263.297 1.476 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCCO1 ZINC000556610845 290274791 /nfs/dbraw/zinc/27/47/91/290274791.db2.gz MNILWOIDJPIUBZ-RYUDHWBXSA-N 1 0 296.323 1.103 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000569017840 294143256 /nfs/dbraw/zinc/14/32/56/294143256.db2.gz RZBMAWAXNYAFGF-RYUDHWBXSA-N 1 0 279.340 1.785 20 5 CDBDRO CC1(C)C[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570676429 294286943 /nfs/dbraw/zinc/28/69/43/294286943.db2.gz PTDASSCLRZGEND-NWDGAFQWSA-N 1 0 294.351 1.970 20 5 CDBDRO O=C(CC[NH2+]C1CC1)NCCc1ccccc1[N+](=O)[O-] ZINC000570864250 294325235 /nfs/dbraw/zinc/32/52/35/294325235.db2.gz TVPIYDIZMXKUDB-UHFFFAOYSA-N 1 0 277.324 1.396 20 5 CDBDRO [NH3+]C[C@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000044528141 295269081 /nfs/dbraw/zinc/26/90/81/295269081.db2.gz MWXAROBVDXOGAN-SECBINFHSA-N 1 0 281.287 1.545 20 5 CDBDRO Cc1nn(C)c(C(=O)N[C@@](C)(C[NH3+])CC(C)C)c1[N+](=O)[O-] ZINC000236703892 302735396 /nfs/dbraw/zinc/73/53/96/302735396.db2.gz UGHUIHPFCVXOBO-CYBMUJFWSA-N 1 0 297.359 1.130 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1nnc2n1CCC2 ZINC000576716054 317195065 /nfs/dbraw/zinc/19/50/65/317195065.db2.gz OJSAGKZOCPOHCF-LBPRGKRZSA-N 1 0 299.334 1.910 20 5 CDBDRO CC1(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000577329307 317307364 /nfs/dbraw/zinc/30/73/64/317307364.db2.gz NCHDMOQGGHTUPR-UHFFFAOYSA-N 1 0 276.340 1.912 20 5 CDBDRO COc1cc(CN[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1O ZINC000577509564 317346477 /nfs/dbraw/zinc/34/64/77/317346477.db2.gz SBTKSXPKRNPKMR-VIFPVBQESA-N 1 0 283.328 1.349 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000382447611 323640506 /nfs/dbraw/zinc/64/05/06/323640506.db2.gz KLOBXMSCMRQWAH-ZJUUUORDSA-N 1 0 299.352 1.001 20 5 CDBDRO COCC(COC)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000388474015 323791135 /nfs/dbraw/zinc/79/11/35/323791135.db2.gz PLEQWGRTKBPKLV-SNVBAGLBSA-N 1 0 268.313 1.907 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1N1CC[C@@]3(CC[NH2+]C3)C1)CCN2 ZINC000579454897 324189573 /nfs/dbraw/zinc/18/95/73/324189573.db2.gz HNTMSEPOAHHTGM-OAHLLOKOSA-N 1 0 288.351 1.753 20 5 CDBDRO Cc1nc(N2CC[N@@H+](C)[C@H](C)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000579796544 324280787 /nfs/dbraw/zinc/28/07/87/324280787.db2.gz WMRNSWFIZWVJEW-ZJUUUORDSA-N 1 0 265.317 1.222 20 5 CDBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000582762488 325038187 /nfs/dbraw/zinc/03/81/87/325038187.db2.gz JYTJWLRCFMAXCC-VHSXEESVSA-N 1 0 295.343 1.168 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000583562181 325198915 /nfs/dbraw/zinc/19/89/15/325198915.db2.gz FAHZEBCUHMMISK-IUODEOHRSA-N 1 0 289.335 1.601 20 5 CDBDRO Cc1c(CNC(=O)N(C)[C@@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000418080642 533851553 /nfs/dbraw/zinc/85/15/53/533851553.db2.gz MOLCFNUKFGIRBF-VIFPVBQESA-N 1 0 280.328 1.392 20 5 CDBDRO CC(C)[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)NC(C)(C)C ZINC001168999375 1161996845 /nfs/dbraw/zinc/99/68/45/1161996845.db2.gz SLKKUYUBFMESPF-AVGNSLFASA-N 1 0 299.415 1.961 20 5 CDBDRO C[C@@H](COC(=O)C[C@@H](O)C[N+](C)(C)C)c1ccccc1 ZINC001206012634 1162011430 /nfs/dbraw/zinc/01/14/30/1162011430.db2.gz XOCFCUGJPTVSMZ-DZGCQCFKSA-N 1 0 280.388 1.791 20 5 CDBDRO [NH3+][C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000399234454 518197668 /nfs/dbraw/zinc/19/76/68/518197668.db2.gz QLGLMZSWQVPSDG-GFCCVEGCSA-N 1 0 263.297 1.338 20 5 CDBDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000156410913 519626035 /nfs/dbraw/zinc/62/60/35/519626035.db2.gz ZPFWDHDBVRZSQT-CQSZACIVSA-N 1 0 291.351 1.895 20 5 CDBDRO COC[C@@H](O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000338481151 522416619 /nfs/dbraw/zinc/41/66/19/522416619.db2.gz RXLLPMNPHSWIHW-RNZFLTOJSA-N 1 0 266.297 1.205 20 5 CDBDRO CNc1ccc(C(=O)N2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000055420292 522583924 /nfs/dbraw/zinc/58/39/24/522583924.db2.gz MJIRETZRNYNENF-UHFFFAOYSA-N 1 0 292.339 1.414 20 5 CDBDRO COCC[N@H+](C)CCNc1ccc(C)cc1[N+](=O)[O-] ZINC000061379784 523614007 /nfs/dbraw/zinc/61/40/07/523614007.db2.gz XTNQAXSGPCJBIA-UHFFFAOYSA-N 1 0 267.329 1.893 20 5 CDBDRO C[NH+]1CCC(CNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000157327088 523763792 /nfs/dbraw/zinc/76/37/92/523763792.db2.gz DBXRNPLPYDTUND-UHFFFAOYSA-N 1 0 292.339 1.249 20 5 CDBDRO C[NH+](C)CC1(NC(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000339404236 524048110 /nfs/dbraw/zinc/04/81/10/524048110.db2.gz XRKNEYFXRLAOIA-UHFFFAOYSA-N 1 0 277.324 1.809 20 5 CDBDRO C[C@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163982037 524307539 /nfs/dbraw/zinc/30/75/39/524307539.db2.gz KHBVSLWYTQOVCV-IUCAKERBSA-N 1 0 295.368 1.725 20 5 CDBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245845377 524367416 /nfs/dbraw/zinc/36/74/16/524367416.db2.gz DOCQYSDOVSRBOP-UZGDPCLZSA-N 1 0 296.371 1.567 20 5 CDBDRO C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000235651488 524513481 /nfs/dbraw/zinc/51/34/81/524513481.db2.gz IRLKJRBNKGPIKP-GZMMTYOYSA-N 1 0 264.285 1.406 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000070172535 524844967 /nfs/dbraw/zinc/84/49/67/524844967.db2.gz WAIGWQVNUIVJHC-VHSXEESVSA-N 1 0 295.314 1.933 20 5 CDBDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000227979717 525056755 /nfs/dbraw/zinc/05/67/55/525056755.db2.gz QBTNXNSHXGVIFB-MFKMUULPSA-N 1 0 266.297 1.224 20 5 CDBDRO C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])s2)CCC[N@@H+]1C ZINC000337021196 525110749 /nfs/dbraw/zinc/11/07/49/525110749.db2.gz RJLYPBIEIQUAAS-JGVFFNPUSA-N 1 0 256.331 1.946 20 5 CDBDRO Cc1c(C(=O)NCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000052851483 525612678 /nfs/dbraw/zinc/61/26/78/525612678.db2.gz WWQMODGLWBZAFR-UHFFFAOYSA-N 1 0 277.324 1.729 20 5 CDBDRO Cc1c([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cnn1C ZINC000183326263 525918591 /nfs/dbraw/zinc/91/85/91/525918591.db2.gz HHCGXGMANMOKAQ-VIFPVBQESA-N 1 0 278.316 1.184 20 5 CDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000065949587 526337818 /nfs/dbraw/zinc/33/78/18/526337818.db2.gz LEWMZXPTMRAYSJ-UHFFFAOYSA-N 1 0 269.326 1.272 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000414658679 536451279 /nfs/dbraw/zinc/45/12/79/536451279.db2.gz LWWWVGGVKOHQSP-SECBINFHSA-N 1 0 280.328 1.880 20 5 CDBDRO O=C(C[C@H]1CCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000150845446 527164919 /nfs/dbraw/zinc/16/49/19/527164919.db2.gz XHJXEHXMCNTZKS-LLVKDONJSA-N 1 0 275.308 1.626 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C1CCCC1 ZINC000236263925 527204489 /nfs/dbraw/zinc/20/44/89/527204489.db2.gz ANLRLMPGBLWNTR-SECBINFHSA-N 1 0 283.353 1.904 20 5 CDBDRO O=[N+]([O-])c1cc(F)c(NC[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000236205785 527336729 /nfs/dbraw/zinc/33/67/29/527336729.db2.gz CNFIYFOYTQZYCP-SSDOTTSWSA-N 1 0 257.240 1.894 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)cc1 ZINC000069136877 527351857 /nfs/dbraw/zinc/35/18/57/527351857.db2.gz SXLOUWCXYCDEAX-NSHDSACASA-N 1 0 284.337 1.262 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000364798911 527414150 /nfs/dbraw/zinc/41/41/50/527414150.db2.gz LYHXBCPOTQHLET-CQSZACIVSA-N 1 0 294.355 1.682 20 5 CDBDRO Nc1c(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000237877253 527425923 /nfs/dbraw/zinc/42/59/23/527425923.db2.gz ZYAMEPTYSBDZDY-ULKQDVFKSA-N 1 0 290.323 1.190 20 5 CDBDRO CCCc1n[nH]c(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000153949989 528545851 /nfs/dbraw/zinc/54/58/51/528545851.db2.gz AHZPLRZQHWECIH-IUCAKERBSA-N 1 0 295.343 1.093 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000424044167 535022635 /nfs/dbraw/zinc/02/26/35/535022635.db2.gz DTKIOCKIGLVFJV-UHFFFAOYSA-N 1 0 280.328 1.250 20 5 CDBDRO CC(C)[C@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423833737 535055573 /nfs/dbraw/zinc/05/55/73/535055573.db2.gz BLAOOCAKWQVPIN-NSHDSACASA-N 1 0 285.731 1.848 20 5 CDBDRO COc1ccc(C(=O)N2CC[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000148051509 536725124 /nfs/dbraw/zinc/72/51/24/536725124.db2.gz OAPXHAGBRJSXNU-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO COc1ccc(C[NH2+][C@@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000734160732 575160773 /nfs/dbraw/zinc/16/07/73/575160773.db2.gz FFQAHOVSRRTVFT-NSHDSACASA-N 1 0 266.297 1.464 20 5 CDBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)C[C@H]1C ZINC000754080360 576878361 /nfs/dbraw/zinc/87/83/61/576878361.db2.gz UIRQGWITQNQCMH-SECBINFHSA-N 1 0 291.311 1.661 20 5 CDBDRO C[C@@H]1COC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000932495078 617316564 /nfs/dbraw/zinc/31/65/64/617316564.db2.gz XIXRAZHPVPNNAJ-ZWNOBZJWSA-N 1 0 293.323 1.182 20 5 CDBDRO CO[C@@H]1CCOC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000934044534 617868878 /nfs/dbraw/zinc/86/88/78/617868878.db2.gz CUEWNFXHXZZXMZ-ZIAGYGMSSA-N 1 0 296.323 1.367 20 5 CDBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000932180901 617975966 /nfs/dbraw/zinc/97/59/66/617975966.db2.gz DSTDWFOQPYUMOM-RISCZKNCSA-N 1 0 290.323 1.503 20 5 CDBDRO CCC[C@@H]1CN(c2c([N+](=O)[O-])c(CC)nn2C)CC[NH2+]1 ZINC000895058720 619242570 /nfs/dbraw/zinc/24/25/70/619242570.db2.gz NWFXKEWMJOYPGG-SNVBAGLBSA-N 1 0 281.360 1.469 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000895636312 619778524 /nfs/dbraw/zinc/77/85/24/619778524.db2.gz HEUMXUUDFMBHGU-GFCCVEGCSA-N 1 0 299.758 1.404 20 5 CDBDRO CCc1ccc([C@@H](C[NH2+]CC[N+](=O)[O-])N(C)C)cc1 ZINC000899858819 622486464 /nfs/dbraw/zinc/48/64/64/622486464.db2.gz CGYWDUYAQXDWRM-CQSZACIVSA-N 1 0 265.357 1.718 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCCCC[NH2+]2)s1 ZINC000900430622 623046054 /nfs/dbraw/zinc/04/60/54/623046054.db2.gz CZMWTQXUKOOTBQ-MRVPVSSYSA-N 1 0 256.331 1.995 20 5 CDBDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903296426 625955087 /nfs/dbraw/zinc/95/50/87/625955087.db2.gz IESLHJBLRGPVOP-GAJTVXKRSA-N 1 0 295.339 1.632 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCN1C ZINC000903314839 625970038 /nfs/dbraw/zinc/97/00/38/625970038.db2.gz CDQYXYYWWGFDFM-JQWIXIFHSA-N 1 0 279.340 1.958 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCc1ccc(Br)s1 ZINC000905029858 626391643 /nfs/dbraw/zinc/39/16/43/626391643.db2.gz CPFMMXSAKAQCCI-UHFFFAOYSA-N 1 0 279.159 1.919 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000905143811 626655097 /nfs/dbraw/zinc/65/50/97/626655097.db2.gz CSTMFXINJSAGMB-UHFFFAOYSA-N 1 0 269.248 1.571 20 5 CDBDRO O=[N+]([O-])CCNCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000905147361 626658788 /nfs/dbraw/zinc/65/87/88/626658788.db2.gz WAQQZZMOCMFDTH-UHFFFAOYSA-N 1 0 293.367 1.010 20 5 CDBDRO C[C@H]([NH2+][C@H]1COC[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000905868297 627011299 /nfs/dbraw/zinc/01/12/99/627011299.db2.gz QYQDUSNKHMYLOG-NHCYSSNCSA-N 1 0 293.323 1.546 20 5 CDBDRO [NH3+]C[C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000149411642 627723841 /nfs/dbraw/zinc/72/38/41/627723841.db2.gz IHEOZDBCGUVJFG-ZETCQYMHSA-N 1 0 256.693 1.428 20 5 CDBDRO CC[N@@H+]1CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H](C)C1 ZINC000910271516 628944903 /nfs/dbraw/zinc/94/49/03/628944903.db2.gz RVGZTDFIJCLNOJ-GFCCVEGCSA-N 1 0 285.388 1.765 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911813473 629506650 /nfs/dbraw/zinc/50/66/50/629506650.db2.gz MYTDOJOIOOKPCZ-ICCXJUOJSA-N 1 0 277.324 1.504 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCOC3CC3)C2)nc1 ZINC000929986054 632225194 /nfs/dbraw/zinc/22/51/94/632225194.db2.gz FEPVUWMAFYLUEI-NSHDSACASA-N 1 0 292.339 1.655 20 5 CDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[NH+]1CCCCC1 ZINC000917838434 632287853 /nfs/dbraw/zinc/28/78/53/632287853.db2.gz LVCUTGLPMQQDOD-LLVKDONJSA-N 1 0 294.355 1.538 20 5 CDBDRO C[C@H](CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000930097374 632676702 /nfs/dbraw/zinc/67/67/02/632676702.db2.gz DRJVFMFDZPISST-HONMWMINSA-N 1 0 291.351 1.765 20 5 CDBDRO CC[C@H](CO)[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170294425 1162327863 /nfs/dbraw/zinc/32/78/63/1162327863.db2.gz QTVMAHSANKHVDB-ZYHUDNBSSA-N 1 0 282.340 1.895 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCCN1c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001157733627 1162360513 /nfs/dbraw/zinc/36/05/13/1162360513.db2.gz RAIGAISBYWGHEJ-VXNVDRBHSA-N 1 0 281.272 1.214 20 5 CDBDRO C[NH2+]CCN(c1nc(OC)nc(C)c1[N+](=O)[O-])C(C)(C)C ZINC001157829845 1162458144 /nfs/dbraw/zinc/45/81/44/1162458144.db2.gz KGIFUJKDILXKLN-UHFFFAOYSA-N 1 0 297.359 1.526 20 5 CDBDRO C[C@@H](Nc1c(Cl)nccc1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001170565186 1162929751 /nfs/dbraw/zinc/92/97/51/1162929751.db2.gz UGOBGXZHTDPKIL-VXNVDRBHSA-N 1 0 286.719 1.432 20 5 CDBDRO C[N+](C)(C)CCO[C@@H](C[N+](=O)[O-])c1cccnc1 ZINC001224773246 1160873455 /nfs/dbraw/zinc/87/34/55/1160873455.db2.gz GTFFJOAXNNRGJM-LBPRGKRZSA-N 1 0 254.310 1.122 20 5 CDBDRO C[C@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(F)F ZINC000698681064 1161063904 /nfs/dbraw/zinc/06/39/04/1161063904.db2.gz YKNWBDPJWKUIPE-NSHDSACASA-N 1 0 260.240 1.701 20 5 CDBDRO O=C(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)NC1CCCCC1 ZINC001168966865 1161996384 /nfs/dbraw/zinc/99/63/84/1161996384.db2.gz LYOMDXBMHFUBLJ-DGCLKSJQSA-N 1 0 283.372 1.470 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2ccc(NC[C@@]34C[NH2+][C@@H](CO3)C4)nc21 ZINC001155543111 1167223029 /nfs/dbraw/zinc/22/30/29/1167223029.db2.gz BCTKPLFDHOZZDT-AMIZOPFISA-N 1 0 289.295 1.014 20 5 CDBDRO C[C@@]1(C(=O)OCc2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC001573606131 1170705063 /nfs/dbraw/zinc/70/50/63/1170705063.db2.gz LMWDUVSUMIUAOI-CYBMUJFWSA-N 1 0 264.281 1.638 20 5 CDBDRO C[C@@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)CC[C@H]1C[NH3+] ZINC001576811688 1171529519 /nfs/dbraw/zinc/52/95/19/1171529519.db2.gz IBNVZJNEMMUPPH-ZJUUUORDSA-N 1 0 297.330 1.647 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC001578189831 1171830123 /nfs/dbraw/zinc/83/01/23/1171830123.db2.gz VTRVGPGZYIELGR-SECBINFHSA-N 1 0 293.323 1.788 20 5 CDBDRO CN(C[C@H]1CC[NH2+]1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001578456815 1171921194 /nfs/dbraw/zinc/92/11/94/1171921194.db2.gz SNVKTJHUFPAZMZ-SECBINFHSA-N 1 0 288.307 1.510 20 5 CDBDRO COc1ccc(CN(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC001579212468 1172116599 /nfs/dbraw/zinc/11/65/99/1172116599.db2.gz ZWTIAHYVGWKZEQ-YABSGUDNSA-N 1 0 277.324 1.253 20 5 CDBDRO Cc1cc(NC(=O)NCC2C[NH2+]C2)cc([N+](=O)[O-])c1 ZINC001579631206 1172229359 /nfs/dbraw/zinc/22/93/59/1172229359.db2.gz ITTNPMZYDNKBLH-UHFFFAOYSA-N 1 0 264.285 1.244 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC001579642722 1172232739 /nfs/dbraw/zinc/23/27/39/1172232739.db2.gz SLQSUVFHJFZYCJ-GHMZBOCLSA-N 1 0 292.339 1.416 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC12C[NH2+]C2 ZINC001579734832 1172249983 /nfs/dbraw/zinc/24/99/83/1172249983.db2.gz NSJPTLGVHGTKSI-UHFFFAOYSA-N 1 0 275.308 1.400 20 5 CDBDRO COc1c(C(=O)N2CCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000122023498 1175236627 /nfs/dbraw/zinc/23/66/27/1175236627.db2.gz OOMDGCNKCCUQPX-SECBINFHSA-N 1 0 279.296 1.167 20 5 CDBDRO Cn1cc([N+](=O)[O-])c(NCc2ccc(CC[NH3+])cc2)n1 ZINC000231671677 1178174726 /nfs/dbraw/zinc/17/47/26/1178174726.db2.gz VCLLBOHPJNQAFG-UHFFFAOYSA-N 1 0 275.312 1.442 20 5 CDBDRO CN1CCCC[C@@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158635310 1178227030 /nfs/dbraw/zinc/22/70/30/1178227030.db2.gz YAXTXLVUGDDWKS-CABCVRRESA-N 1 0 293.367 1.702 20 5 CDBDRO [NH3+][C@H]1C[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000404468623 1186520375 /nfs/dbraw/zinc/52/03/75/1186520375.db2.gz CHTIZUKGJHJFBP-RYUDHWBXSA-N 1 0 275.308 1.595 20 5 CDBDRO C[N@@H+]1CC[C@H](Oc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC000304553484 1186633181 /nfs/dbraw/zinc/63/31/81/1186633181.db2.gz PEZZJVJCLMVVDP-ZETCQYMHSA-N 1 0 257.677 1.726 20 5 CDBDRO Nc1ccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)nc1[N+](=O)[O-] ZINC000312471161 1186699909 /nfs/dbraw/zinc/69/99/09/1186699909.db2.gz GTVBQISCARTNEW-WDEREUQCSA-N 1 0 277.328 1.611 20 5 CDBDRO COc1nc(N2CC[NH+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC001164653118 719330646 /nfs/dbraw/zinc/33/06/46/719330646.db2.gz QFPVZPXINLAECR-UHFFFAOYSA-N 1 0 294.355 1.776 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2CC[NH+](CC(C)C)CC2)n1 ZINC001164653930 719332514 /nfs/dbraw/zinc/33/25/14/719332514.db2.gz INJNGGQEEGLPCU-UHFFFAOYSA-N 1 0 279.344 1.471 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC001165034782 721887564 /nfs/dbraw/zinc/88/75/64/721887564.db2.gz IPFQGJNAHQZHJD-SECBINFHSA-N 1 0 299.762 1.877 20 5 CDBDRO [NH2+]=C(NCCc1ccccc1[N+](=O)[O-])NCC1CC1 ZINC000887355553 736388119 /nfs/dbraw/zinc/38/81/19/736388119.db2.gz UQCNLDXRDXGECF-UHFFFAOYSA-N 1 0 262.313 1.661 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[NH2+][C@@H](C)C2)n1 ZINC000162581678 736394165 /nfs/dbraw/zinc/39/41/65/736394165.db2.gz NLCDFLYKVSEHRL-AOOOYVTPSA-N 1 0 250.302 1.485 20 5 CDBDRO C[C@@H](O)CC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072714899 736414751 /nfs/dbraw/zinc/41/47/51/736414751.db2.gz WYMNTOPDWLHENQ-LLVKDONJSA-N 1 0 295.339 1.626 20 5 CDBDRO CC(C)(CCc1noc([C@@H]2C[C@@]23CCC[NH2+]C3)n1)[N+](=O)[O-] ZINC000848632234 736484137 /nfs/dbraw/zinc/48/41/37/736484137.db2.gz PNNDEPWFZPAEHW-IINYFYTJSA-N 1 0 294.355 1.915 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702658036 738438321 /nfs/dbraw/zinc/43/83/21/738438321.db2.gz FMWRIGUOZUZKRF-VXNVDRBHSA-N 1 0 283.715 1.810 20 5 CDBDRO CC[C@H]([NH2+]C)c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000854153643 736644997 /nfs/dbraw/zinc/64/49/97/736644997.db2.gz RIQZSDXTNSVJDL-LURJTMIESA-N 1 0 266.261 1.049 20 5 CDBDRO CCN(C[C@@H]1CC[N@H+](CC[N+](=O)[O-])C1)CC(F)(F)F ZINC000929781872 736648283 /nfs/dbraw/zinc/64/82/83/736648283.db2.gz QWAQRDNFILJLEJ-JTQLQIEISA-N 1 0 283.294 1.469 20 5 CDBDRO COCCOC[C@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819104513 736669621 /nfs/dbraw/zinc/66/96/21/736669621.db2.gz QRAJNLJBGRNMRK-SMDDNHRTSA-N 1 0 298.339 1.269 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000882484676 736964784 /nfs/dbraw/zinc/96/47/84/736964784.db2.gz JTICPOJATQMJNR-JTQLQIEISA-N 1 0 293.323 1.427 20 5 CDBDRO CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001019903483 737076258 /nfs/dbraw/zinc/07/62/58/737076258.db2.gz CAAXGDLLOMBSKL-HAQNSBGRSA-N 1 0 263.297 1.352 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([N+](=O)[O-])c1 ZINC000923315797 737213036 /nfs/dbraw/zinc/21/30/36/737213036.db2.gz MDLWAUDWCPGAFC-GXTWGEPZSA-N 1 0 289.335 1.904 20 5 CDBDRO C[NH2+][C@@H](CC(C)C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000884069012 737306785 /nfs/dbraw/zinc/30/67/85/737306785.db2.gz NUKDCHJYZMDCLJ-LBPRGKRZSA-N 1 0 279.340 1.845 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@@H]1c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000823233930 737346380 /nfs/dbraw/zinc/34/63/80/737346380.db2.gz DWPHDZBUMOLOJM-IUCAKERBSA-N 1 0 268.317 1.523 20 5 CDBDRO C[NH2+]C[C@H](C)c1noc(-c2ccccc2[N+](=O)[O-])n1 ZINC000721128889 737318681 /nfs/dbraw/zinc/31/86/81/737318681.db2.gz IXQPMNHRLXEOJV-QMMMGPOBSA-N 1 0 262.269 1.968 20 5 CDBDRO CC(C)NC(=O)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818951397 737325953 /nfs/dbraw/zinc/32/59/53/737325953.db2.gz DQDHIBCXWNLEQZ-ZDUSSCGKSA-N 1 0 295.339 1.133 20 5 CDBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc([N+](=O)[O-])ccc2N)n1 ZINC000842635331 737356603 /nfs/dbraw/zinc/35/66/03/737356603.db2.gz MCRDSVDTARHYIP-ZETCQYMHSA-N 1 0 277.284 1.377 20 5 CDBDRO CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000839567368 738505925 /nfs/dbraw/zinc/50/59/25/738505925.db2.gz KFBOOLNTJRZUFJ-ZIAGYGMSSA-N 1 0 291.351 1.420 20 5 CDBDRO C[C@@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000855009722 738524406 /nfs/dbraw/zinc/52/44/06/738524406.db2.gz PDNZZLYEGCXJFS-WDDYJBPVSA-N 1 0 277.324 1.674 20 5 CDBDRO CN(CC[NH+]1CCCC1)c1cc(F)c([N+](=O)[O-])cc1CO ZINC000865507739 738326209 /nfs/dbraw/zinc/32/62/09/738326209.db2.gz ADHGUXIWBDRZBS-UHFFFAOYSA-N 1 0 297.330 1.758 20 5 CDBDRO CCOc1cccc(NCC[N@H+](C)CCO)c1[N+](=O)[O-] ZINC000884825073 738330655 /nfs/dbraw/zinc/33/06/55/738330655.db2.gz DAVXSJYPBIGUKT-UHFFFAOYSA-N 1 0 283.328 1.330 20 5 CDBDRO CCn1nccc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000853132653 738333205 /nfs/dbraw/zinc/33/32/05/738333205.db2.gz BBBVIVDZQMBXQT-AWEZNQCLSA-N 1 0 290.323 1.634 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H](C)[NH3+])c1C ZINC000884444899 738335297 /nfs/dbraw/zinc/33/52/97/738335297.db2.gz YOYXHOIAVDUVKA-VIFPVBQESA-N 1 0 265.313 1.631 20 5 CDBDRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873131241 738536962 /nfs/dbraw/zinc/53/69/62/738536962.db2.gz PWSTVIVVTULOGP-DZGCQCFKSA-N 1 0 296.367 1.823 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000931375659 738577846 /nfs/dbraw/zinc/57/78/46/738577846.db2.gz XRDFKSXVQWLANM-NEPJUHHUSA-N 1 0 272.251 1.661 20 5 CDBDRO Cc1ccc(C[NH2+][C@H](CO)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000886229014 738645681 /nfs/dbraw/zinc/64/56/81/738645681.db2.gz JMEWSLGRIXQEMD-KBPBESRZSA-N 1 0 294.351 1.923 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NCCc1cccc([N+](=O)[O-])c1 ZINC000925627559 738709345 /nfs/dbraw/zinc/70/93/45/738709345.db2.gz BQYDZJSSYRWVJA-SMDDNHRTSA-N 1 0 263.341 1.867 20 5 CDBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886130173 738804465 /nfs/dbraw/zinc/80/44/65/738804465.db2.gz XMWUSICQSORWON-NXEZZACHSA-N 1 0 281.312 1.667 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000842830145 738841041 /nfs/dbraw/zinc/84/10/41/738841041.db2.gz SRKKNJYMKAFORU-IJLUTSLNSA-N 1 0 270.329 1.315 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H](CCO)C2)cc1 ZINC000776581917 738859831 /nfs/dbraw/zinc/85/98/31/738859831.db2.gz IZAGULXSLXADLU-SWLSCSKDSA-N 1 0 294.351 1.723 20 5 CDBDRO CC(C)([NH2+]CCN1CCOC1=O)c1ccccc1[N+](=O)[O-] ZINC000795222916 738861810 /nfs/dbraw/zinc/86/18/10/738861810.db2.gz UTCIZADIJRCGSI-UHFFFAOYSA-N 1 0 293.323 1.872 20 5 CDBDRO C[NH+]1CCC(CC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000854497425 738863539 /nfs/dbraw/zinc/86/35/39/738863539.db2.gz OBMQSLUKNQVLKX-UHFFFAOYSA-N 1 0 292.339 1.847 20 5 CDBDRO C[NH+](C)CC(C)(C)CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822236953 738881863 /nfs/dbraw/zinc/88/18/63/738881863.db2.gz YDXRIQGDGOYOEN-UHFFFAOYSA-N 1 0 273.377 1.526 20 5 CDBDRO CC[C@@H](CO)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000931766859 738890927 /nfs/dbraw/zinc/89/09/27/738890927.db2.gz LNKKSMHIGCKNKA-NSHDSACASA-N 1 0 268.313 1.724 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]([NH3+])CC2CC2)cccc1[N+](=O)[O-] ZINC000312584615 738901005 /nfs/dbraw/zinc/90/10/05/738901005.db2.gz NAQZGIQROYLJAN-LBPRGKRZSA-N 1 0 277.324 1.647 20 5 CDBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590458 738920092 /nfs/dbraw/zinc/92/00/92/738920092.db2.gz GMPYEERBSMKGLP-TUKIKUTGSA-N 1 0 294.351 1.864 20 5 CDBDRO C[C@@H]1CCCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000173526913 736390310 /nfs/dbraw/zinc/39/03/10/736390310.db2.gz GLXKWBIESJFOTI-SECBINFHSA-N 1 0 277.280 1.945 20 5 CDBDRO CCOC(=O)[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000932647757 736403914 /nfs/dbraw/zinc/40/39/14/736403914.db2.gz REDVOEVSOQIGMB-LBPRGKRZSA-N 1 0 278.308 1.980 20 5 CDBDRO Cc1nn(CN2CC[C@@H]([NH+]3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000066080987 736625062 /nfs/dbraw/zinc/62/50/62/736625062.db2.gz DHHWJFDGPZPFHX-CYBMUJFWSA-N 1 0 293.371 1.536 20 5 CDBDRO COC[C@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000097987953 736701169 /nfs/dbraw/zinc/70/11/69/736701169.db2.gz GGHMUNFKWZQZOV-JOYOIKCWSA-N 1 0 254.286 1.253 20 5 CDBDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246248625 736803449 /nfs/dbraw/zinc/80/34/49/736803449.db2.gz IXUKYMIFTCHEDL-TUKIKUTGSA-N 1 0 294.351 1.864 20 5 CDBDRO C[C@@H](N[C@H]1C[NH2+]CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000925824877 736990489 /nfs/dbraw/zinc/99/04/89/736990489.db2.gz FJXURKPLMXPZFG-PWSUYJOCSA-N 1 0 265.313 1.234 20 5 CDBDRO Cc1c(-c2noc([C@@H]3C[C@@H]3[NH3+])n2)cccc1[N+](=O)[O-] ZINC000823270935 737091036 /nfs/dbraw/zinc/09/10/36/737091036.db2.gz YKTXOZPXRDIIBI-BDAKNGLRSA-N 1 0 260.253 1.768 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000852898604 737273623 /nfs/dbraw/zinc/27/36/23/737273623.db2.gz LZKPFHZUKFCGML-UHFFFAOYSA-N 1 0 299.302 1.308 20 5 CDBDRO CCc1nn(C)c(N2CC[C@@H](CC[NH3+])C2)c1[N+](=O)[O-] ZINC000723680009 737305525 /nfs/dbraw/zinc/30/55/25/737305525.db2.gz OTRBRFKEWYNAMG-SECBINFHSA-N 1 0 267.333 1.066 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCCC[C@H]2O)cc1 ZINC000252894103 737420033 /nfs/dbraw/zinc/42/00/33/737420033.db2.gz SVAWUIVIJNMDQI-MGPQQGTHSA-N 1 0 280.324 1.521 20 5 CDBDRO CC[C@H](C)[N@H+](CCO)Cc1cccnc1[N+](=O)[O-] ZINC000886206363 737821336 /nfs/dbraw/zinc/82/13/36/737821336.db2.gz RBGXCNWYGUXRLS-JTQLQIEISA-N 1 0 253.302 1.583 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000826777479 737961924 /nfs/dbraw/zinc/96/19/24/737961924.db2.gz BHKKZODERQWPNU-QWRGUYRKSA-N 1 0 283.372 1.563 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000825196723 738078867 /nfs/dbraw/zinc/07/88/67/738078867.db2.gz NLBMDZWGXQOCMV-NXEZZACHSA-N 1 0 292.339 1.343 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@@H](C)C2)c1C ZINC000884031031 738119335 /nfs/dbraw/zinc/11/93/35/738119335.db2.gz DLXUKAHLUXPTHH-JTQLQIEISA-N 1 0 277.324 1.646 20 5 CDBDRO CN(CC[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000929764384 738126197 /nfs/dbraw/zinc/12/61/97/738126197.db2.gz PNGBXWADUMOMBF-OAHLLOKOSA-N 1 0 277.368 1.860 20 5 CDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000831873700 738993961 /nfs/dbraw/zinc/99/39/61/738993961.db2.gz ZXVWATSSJSERBS-STQMWFEESA-N 1 0 297.399 1.907 20 5 CDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000843348849 739022125 /nfs/dbraw/zinc/02/21/25/739022125.db2.gz SAVXFHLENNORBE-UHFFFAOYSA-N 1 0 296.283 1.232 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1COCCO1 ZINC000850426575 739037660 /nfs/dbraw/zinc/03/76/60/739037660.db2.gz WNWXJMPLBVOAKI-ZYHUDNBSSA-N 1 0 296.323 1.669 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H](CO)CC2)cc1 ZINC000815272747 739054582 /nfs/dbraw/zinc/05/45/82/739054582.db2.gz VWKZREXMNVFYDU-SWLSCSKDSA-N 1 0 294.351 1.723 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCN1CCCC1=O ZINC000873133279 739132191 /nfs/dbraw/zinc/13/21/91/739132191.db2.gz OWWPWQIXFVUVPB-UHFFFAOYSA-N 1 0 291.351 1.924 20 5 CDBDRO C[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000123765554 1165339911 /nfs/dbraw/zinc/33/99/11/1165339911.db2.gz URIMIUOGPQKPDH-TVQRCGJNSA-N 1 0 277.324 1.899 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2COC[C@H]2O)cc1Cl ZINC000877669076 1166075787 /nfs/dbraw/zinc/07/57/87/1166075787.db2.gz YVOUDTYUHUIKJD-GXSJLCMTSA-N 1 0 272.688 1.098 20 5 CDBDRO [NH3+][C@H]1COC[C@H]1Nc1ncc([N+](=O)[O-])c2ccccc21 ZINC001155345374 1167136086 /nfs/dbraw/zinc/13/60/86/1167136086.db2.gz BGMLCCXLFLCHTN-WDEREUQCSA-N 1 0 274.280 1.281 20 5 CDBDRO Cc1cnc(N[C@H]2COCCC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001155461018 1167179158 /nfs/dbraw/zinc/17/91/58/1167179158.db2.gz GROCQHYJNHFUPA-NSHDSACASA-N 1 0 278.312 1.089 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCNC(=O)C1 ZINC001173215571 912296876 /nfs/dbraw/zinc/29/68/76/912296876.db2.gz WVRVMQNDXQWQTQ-PWSUYJOCSA-N 1 0 277.324 1.394 20 5 CDBDRO CO[C@@H]1COCC[C@H]1[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173219075 912301415 /nfs/dbraw/zinc/30/14/15/912301415.db2.gz WPTHSFRLTXMBGB-KCPJHIHWSA-N 1 0 294.351 1.919 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)NC1CC1 ZINC001173217112 912301614 /nfs/dbraw/zinc/30/16/14/912301614.db2.gz PEDNHRCVYIHSLA-SNVBAGLBSA-N 1 0 277.324 1.394 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1C[C@H](O)C1 ZINC001173218119 912302712 /nfs/dbraw/zinc/30/27/12/912302712.db2.gz OJYZLOGSESLNSE-JKOKRWQUSA-N 1 0 264.325 1.886 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CNC(=O)O1 ZINC001173229691 912323242 /nfs/dbraw/zinc/32/32/42/912323242.db2.gz OXQBTUDAOIZFPK-JOYOIKCWSA-N 1 0 279.296 1.224 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@]1(CO)CCOC1 ZINC001173231470 912325315 /nfs/dbraw/zinc/32/53/15/912325315.db2.gz ZOUDFSNOJSOKMH-SMDDNHRTSA-N 1 0 280.324 1.267 20 5 CDBDRO C[C@@H](CO)C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214628 912336625 /nfs/dbraw/zinc/33/66/25/912336625.db2.gz CZSGCWMMAGOOAV-GHMZBOCLSA-N 1 0 252.314 1.744 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1ccnc1C(N)=[NH2+] ZINC001173214309 912337996 /nfs/dbraw/zinc/33/79/96/912337996.db2.gz ALLUUAPZOWSYPY-VIFPVBQESA-N 1 0 273.296 1.879 20 5 CDBDRO Cc1c([N+](=O)[O-])cc(F)cc1-n1ccc(CC[NH3+])n1 ZINC001167729239 899470536 /nfs/dbraw/zinc/47/05/36/899470536.db2.gz FGGQYZCZPQDFQI-UHFFFAOYSA-N 1 0 264.260 1.729 20 5 CDBDRO CC1(Nc2ccc([N+](=O)[O-])c3c2CNC3=O)CC[NH2+]CC1 ZINC001168189225 907787372 /nfs/dbraw/zinc/78/73/72/907787372.db2.gz MLDMUKGUPFYCKV-UHFFFAOYSA-N 1 0 290.323 1.392 20 5 CDBDRO CC(C)[NH+]1CC(Nc2cc3c(c([N+](=O)[O-])c2)NN(C)C3)C1 ZINC001168318007 909002673 /nfs/dbraw/zinc/00/26/73/909002673.db2.gz ZCQCIVNRWDATPR-UHFFFAOYSA-N 1 0 291.355 1.872 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCc1noc2ncccc12 ZINC001224180766 909204699 /nfs/dbraw/zinc/20/46/99/909204699.db2.gz NISVDHBRRAXGNM-SNVBAGLBSA-N 1 0 250.322 1.834 20 5 CDBDRO O=C1CC(CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)C1 ZINC001168394436 911474266 /nfs/dbraw/zinc/47/42/66/911474266.db2.gz HKLDBWMZVGEBQO-UHFFFAOYSA-N 1 0 261.281 1.589 20 5 CDBDRO CN(C)[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001120469753 911966937 /nfs/dbraw/zinc/96/69/37/911966937.db2.gz WOMQGBJNHQACBK-CABCVRRESA-N 1 0 293.367 1.558 20 5 CDBDRO [NH3+]CCON[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897593 912033720 /nfs/dbraw/zinc/03/37/20/912033720.db2.gz ARULQLXBZURHCI-GFCCVEGCSA-N 1 0 265.313 1.322 20 5 CDBDRO CC(=O)NCC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899130 912037796 /nfs/dbraw/zinc/03/77/96/912037796.db2.gz UAIMAIDDNMYRSC-AWEZNQCLSA-N 1 0 291.351 1.568 20 5 CDBDRO C[NH+](C)CC1(O)CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000710634553 923255460 /nfs/dbraw/zinc/25/54/60/923255460.db2.gz VOFKUMTVEOBEIK-UHFFFAOYSA-N 1 0 279.340 1.488 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@H]3[NH2+]C[C@H]32)n1 ZINC001165393462 925024597 /nfs/dbraw/zinc/02/45/97/925024597.db2.gz TUKALGJWJKAQRC-HTQZYQBOSA-N 1 0 283.719 1.287 20 5 CDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]([NH3+])C2)n1 ZINC001156229079 927498811 /nfs/dbraw/zinc/49/88/11/927498811.db2.gz SVUKUCVNPJVUNQ-RXMQYKEDSA-N 1 0 289.748 1.298 20 5 CDBDRO [NH3+]Cc1cccc(-c2nnn(-c3ncccc3[N+](=O)[O-])n2)c1 ZINC001168880719 927522889 /nfs/dbraw/zinc/52/28/89/927522889.db2.gz YFKXZYSAHVBQBC-UHFFFAOYSA-N 1 0 297.278 1.091 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)nn1 ZINC001168976599 927563825 /nfs/dbraw/zinc/56/38/25/927563825.db2.gz DTFSFHGRVSCLEP-UWVGGRQHSA-N 1 0 266.301 1.020 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCN2CCCCC2)C1 ZINC001168958919 927579827 /nfs/dbraw/zinc/57/98/27/927579827.db2.gz RHKOTBFKWYTQFF-OLZOCXBDSA-N 1 0 255.362 1.507 20 5 CDBDRO COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1(C)C ZINC001168969791 927591717 /nfs/dbraw/zinc/59/17/17/927591717.db2.gz FPNCFWSTVIIDNE-USZNOCQGSA-N 1 0 284.356 1.609 20 5 CDBDRO Cn1cc(C2([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cn1 ZINC001168975263 927598323 /nfs/dbraw/zinc/59/83/23/927598323.db2.gz VSRGXLAJNNMKNZ-CMPLNLGQSA-N 1 0 264.329 1.444 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cncnc1 ZINC001168975681 927599329 /nfs/dbraw/zinc/59/93/29/927599329.db2.gz WRGHHNTULAAQQX-HOSYDEDBSA-N 1 0 250.302 1.573 20 5 CDBDRO CC(C)Oc1nccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168994564 927600953 /nfs/dbraw/zinc/60/09/53/927600953.db2.gz PUQHJKLRSZNKAU-NEPJUHHUSA-N 1 0 294.355 1.799 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1c(Cl)cc(C)cc1[N+](=O)[O-] ZINC001168992284 927601539 /nfs/dbraw/zinc/60/15/39/927601539.db2.gz RRGUFJYAVUNENX-UHFFFAOYSA-N 1 0 295.730 1.947 20 5 CDBDRO COC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169001960 927605322 /nfs/dbraw/zinc/60/53/22/927605322.db2.gz IQLJPHTUWLUEAJ-NDBYEHHHSA-N 1 0 284.356 1.753 20 5 CDBDRO O=C(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(O)cc1 ZINC001169002318 927605560 /nfs/dbraw/zinc/60/55/60/927605560.db2.gz KQQBQXFWKUCSPO-JQWIXIFHSA-N 1 0 278.308 1.610 20 5 CDBDRO CCn1cnc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169006276 927608623 /nfs/dbraw/zinc/60/86/23/927608623.db2.gz XCIFGHMTFUTATP-WDEREUQCSA-N 1 0 252.318 1.438 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(CCOC3)CC2)C1 ZINC001169007639 927611598 /nfs/dbraw/zinc/61/15/98/927611598.db2.gz OVVANBGUHWZGPQ-CHWSQXEVSA-N 1 0 268.357 1.934 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@](O)(CF)[C@@H](F)C2)C1 ZINC001169011552 927617668 /nfs/dbraw/zinc/61/76/68/927617668.db2.gz KWLYGGYVEKXIGK-RHYQMDGZSA-N 1 0 278.299 1.176 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](CO)CC2)C1 ZINC001169011313 927617695 /nfs/dbraw/zinc/61/76/95/927617695.db2.gz JRCPHYXPRFTGKI-XQQFMLRXSA-N 1 0 256.346 1.526 20 5 CDBDRO COC(=O)N1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169014435 927619927 /nfs/dbraw/zinc/61/99/27/927619927.db2.gz ZPLTVBCLVLSWQA-NWDGAFQWSA-N 1 0 285.344 1.206 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCN2CCC(F)(F)C2)C1 ZINC001168990248 927629333 /nfs/dbraw/zinc/62/93/33/927629333.db2.gz ZBEOQZNHHXIHNI-MNOVXSKESA-N 1 0 277.315 1.362 20 5 CDBDRO CC(C)(C)N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169036757 927647398 /nfs/dbraw/zinc/64/73/98/927647398.db2.gz PWJYWBVVRGCTPR-STQMWFEESA-N 1 0 269.389 1.848 20 5 CDBDRO O=C1NC2(CO1)CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169040075 927654877 /nfs/dbraw/zinc/65/48/77/927654877.db2.gz XOAHOFPUNKBDSO-MNOVXSKESA-N 1 0 283.328 1.006 20 5 CDBDRO CN1CC2(CC1=O)CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169049031 927667459 /nfs/dbraw/zinc/66/74/59/927667459.db2.gz VSTVPHFPRRVGRN-QWHCGFSZSA-N 1 0 295.383 1.376 20 5 CDBDRO COc1cnc(-n2ncc3c2cccc3C[NH3+])cc1[N+](=O)[O-] ZINC001169193005 927803397 /nfs/dbraw/zinc/80/33/97/927803397.db2.gz RMMTVLIAEJQYTK-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2ccc([C@@H](C)[NH3+])n2)c1 ZINC001169233635 927850172 /nfs/dbraw/zinc/85/01/72/927850172.db2.gz AYUZJMMAOFGBNB-MRVPVSSYSA-N 1 0 290.279 1.587 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001170866323 930525102 /nfs/dbraw/zinc/52/51/02/930525102.db2.gz VKWNUCCYRVTLQX-GFCCVEGCSA-N 1 0 264.285 1.545 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1ccc([N+](=O)[O-])c(C)c1C(=O)OC ZINC001170865940 930534212 /nfs/dbraw/zinc/53/42/12/930534212.db2.gz LEVYDYCIEUZDDQ-ZDUSSCGKSA-N 1 0 297.311 1.159 20 5 CDBDRO CC[NH2+]CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000818608199 930734073 /nfs/dbraw/zinc/73/40/73/930734073.db2.gz SLQWGGJUUVHWTF-UHFFFAOYSA-N 1 0 277.324 1.695 20 5 CDBDRO Cc1ccc(NC[C@@H](O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000717388787 930843982 /nfs/dbraw/zinc/84/39/82/930843982.db2.gz XVBCOXLPEWJHCN-SNVBAGLBSA-N 1 0 253.302 1.238 20 5 CDBDRO Cc1c(NCC(C)(C)[NH3+])ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001171194886 931861281 /nfs/dbraw/zinc/86/12/81/931861281.db2.gz GKWGCEOTDQFOMQ-UHFFFAOYSA-N 1 0 268.273 1.961 20 5 CDBDRO Cc1cnc(NC[C@H]2C[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC001155095277 937634208 /nfs/dbraw/zinc/63/42/08/937634208.db2.gz LPEPTFWGNYOOPK-NXEZZACHSA-N 1 0 250.302 1.708 20 5 CDBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1cc(N)c([N+](=O)[O-])cn1 ZINC001155254147 937653884 /nfs/dbraw/zinc/65/38/84/937653884.db2.gz GEFKUVWRJFYMTK-QMMMGPOBSA-N 1 0 298.306 1.931 20 5 CDBDRO CC(C)[C@@]1(CO)CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001119434359 937719413 /nfs/dbraw/zinc/71/94/13/937719413.db2.gz DFWHACVZRIBBML-AWEZNQCLSA-N 1 0 279.340 1.830 20 5 CDBDRO CSCCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001123192586 936125152 /nfs/dbraw/zinc/12/51/52/936125152.db2.gz XNHJKNICPCXNAB-UHFFFAOYSA-N 1 0 297.380 1.554 20 5 CDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccon1 ZINC001124186728 936295296 /nfs/dbraw/zinc/29/52/96/936295296.db2.gz OPDUFBKYLDBQGE-UHFFFAOYSA-N 1 0 290.279 1.102 20 5 CDBDRO O=C(NCC[C@@H]1CSCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001122082192 937904044 /nfs/dbraw/zinc/90/40/44/937904044.db2.gz GFPPDBSTROIALP-LLVKDONJSA-N 1 0 295.364 1.420 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N(C)C2CC[NH2+]CC2)n1 ZINC001156171892 938327890 /nfs/dbraw/zinc/32/78/90/938327890.db2.gz HFEGHTKCWAZWEU-UHFFFAOYSA-N 1 0 285.735 1.535 20 5 CDBDRO COc1ncnc(NCC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001156379431 938360697 /nfs/dbraw/zinc/36/06/97/938360697.db2.gz VFGQAEYCVFWYLT-JTQLQIEISA-N 1 0 295.343 1.537 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NC(=N)SCC[NH3+])n1 ZINC001157128538 938457275 /nfs/dbraw/zinc/45/72/75/938457275.db2.gz PWOJJGAFIMQXGC-UHFFFAOYSA-N 1 0 290.736 1.385 20 5 CDBDRO Cc1nc(N2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001157260007 938470268 /nfs/dbraw/zinc/47/02/68/938470268.db2.gz GVWHTVALOWNLJO-WCQYABFASA-N 1 0 276.340 1.829 20 5 CDBDRO Cc1ncn(-c2cc([N+](=O)[O-])ccn2)c1CSCC[NH3+] ZINC001157961631 938568906 /nfs/dbraw/zinc/56/89/06/938568906.db2.gz KKDMWZKIVHXNPL-UHFFFAOYSA-N 1 0 293.352 1.676 20 5 CDBDRO [NH3+][C@H]1CCc2nn(-c3ncc(Cl)cc3[N+](=O)[O-])cc2C1 ZINC001157980489 938571616 /nfs/dbraw/zinc/57/16/16/938571616.db2.gz WYAJMEQMAAHAHH-VIFPVBQESA-N 1 0 293.714 1.645 20 5 CDBDRO COc1nc(N(CC[NH3+])c2cccnc2)ccc1[N+](=O)[O-] ZINC001158000904 938573873 /nfs/dbraw/zinc/57/38/73/938573873.db2.gz WSXRACBSUNFJSH-UHFFFAOYSA-N 1 0 289.295 1.490 20 5 CDBDRO Cc1nc(Cl)nc(N2C[C@@H](C)[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC001158172417 938590662 /nfs/dbraw/zinc/59/06/62/938590662.db2.gz GTAFYBIWXJBYTC-KNVOCYPGSA-N 1 0 285.735 1.533 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[N@@H+]2CC[C@@H]2C1 ZINC001158423837 938622227 /nfs/dbraw/zinc/62/22/27/938622227.db2.gz NLKHIAVAJWGHLM-LLVKDONJSA-N 1 0 285.307 1.432 20 5 CDBDRO [NH3+]Cc1ccc2c(n1)N(c1cccc([N+](=O)[O-])n1)CCC2 ZINC001158649927 938646261 /nfs/dbraw/zinc/64/62/61/938646261.db2.gz RZPAFMKJGZYQFU-UHFFFAOYSA-N 1 0 285.307 1.928 20 5 CDBDRO COc1nc(NC(C)(C)CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001158753995 938660054 /nfs/dbraw/zinc/66/00/54/938660054.db2.gz OEYWNVWICWNPSB-UHFFFAOYSA-N 1 0 283.332 1.536 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(N3CCC4(C[NH2+]C4)CC3)c2c1 ZINC001159042281 938695170 /nfs/dbraw/zinc/69/51/70/938695170.db2.gz RXDNWKUMUSXRIL-UHFFFAOYSA-N 1 0 299.334 1.728 20 5 CDBDRO CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC001160154064 938772087 /nfs/dbraw/zinc/77/20/87/938772087.db2.gz VSSAXLCZASDVLS-SECBINFHSA-N 1 0 283.353 1.823 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3c2)C1 ZINC001162403472 939046106 /nfs/dbraw/zinc/04/61/06/939046106.db2.gz ZPLYQJPYFBGPBI-VHSXEESVSA-N 1 0 275.312 1.924 20 5 CDBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001162765380 939135006 /nfs/dbraw/zinc/13/50/06/939135006.db2.gz FKNZSSWYTBVYLK-SECBINFHSA-N 1 0 299.290 1.587 20 5 CDBDRO O=[N+]([O-])c1ccc2ncc(N[C@@H]3C=C[C@@H]4C[NH2+]C[C@@H]34)nc2c1 ZINC001162789678 939139976 /nfs/dbraw/zinc/13/99/76/939139976.db2.gz JZRMVVMAXXFSKX-YUSALJHKSA-N 1 0 297.318 1.724 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)c(F)c1 ZINC001162794606 939142372 /nfs/dbraw/zinc/14/23/72/939142372.db2.gz QLRSPPOYJYGDKS-BCMRRPTOSA-N 1 0 264.260 1.315 20 5 CDBDRO [NH3+][C@H]1COC[C@H]1Nc1cc(F)cc(F)c1[N+](=O)[O-] ZINC001162920775 939161623 /nfs/dbraw/zinc/16/16/23/939161623.db2.gz CEKIQKBAXFMCAM-IONNQARKSA-N 1 0 259.212 1.011 20 5 CDBDRO COc1nc(N(C(C)C)C(C)(C)C[NH3+])ccc1[N+](=O)[O-] ZINC001163187369 939221578 /nfs/dbraw/zinc/22/15/78/939221578.db2.gz WCZYTDLDEZTNHR-UHFFFAOYSA-N 1 0 282.344 1.951 20 5 CDBDRO CC(C)N(c1cc(N)c([N+](=O)[O-])cn1)C(C)(C)C[NH3+] ZINC001163188143 939221844 /nfs/dbraw/zinc/22/18/44/939221844.db2.gz PJYYSRLAGZWUCM-UHFFFAOYSA-N 1 0 267.333 1.524 20 5 CDBDRO Cc1c(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)cc(F)cc1[N+](=O)[O-] ZINC001163250989 939232643 /nfs/dbraw/zinc/23/26/43/939232643.db2.gz PVJAIONESHXWHE-YPMHNXCESA-N 1 0 294.286 1.032 20 5 CDBDRO Cc1c(F)cc([N+](=O)[O-])cc1N[C@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001163254717 939233637 /nfs/dbraw/zinc/23/36/37/939233637.db2.gz PMHHZAQVRLBGAN-YPMHNXCESA-N 1 0 294.286 1.032 20 5 CDBDRO C[NH+](C)C1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)C1 ZINC001163940608 939358200 /nfs/dbraw/zinc/35/82/00/939358200.db2.gz OCKCHMNCIZNPBE-UHFFFAOYSA-N 1 0 261.285 1.221 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2C[C@H](C)CC[C@@H]2C[NH3+])n1 ZINC001164067483 939404430 /nfs/dbraw/zinc/40/44/30/939404430.db2.gz CPFHYEGAYRXMGP-PSASIEDQSA-N 1 0 265.317 1.257 20 5 CDBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1N1CC[C@@H]([NH3+])C1 ZINC001164288853 939447720 /nfs/dbraw/zinc/44/77/20/939447720.db2.gz UOKZOTJBLFPBKI-SECBINFHSA-N 1 0 279.296 1.227 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2C[C@@H](C[NH3+])CC[C@H]2C)n1 ZINC001164462751 939475638 /nfs/dbraw/zinc/47/56/38/939475638.db2.gz UBFULUKJGVZSEI-PSASIEDQSA-N 1 0 265.317 1.257 20 5 CDBDRO CC(C)Oc1nc(N2CCC[C@@H]3[NH2+]C[C@H]32)ccc1[N+](=O)[O-] ZINC001165393963 939557935 /nfs/dbraw/zinc/55/79/35/939557935.db2.gz GXDONPWGVNWERU-CMPLNLGQSA-N 1 0 292.339 1.718 20 5 CDBDRO [NH3+]C1([C@@H]2CN(c3cccc([N+](=O)[O-])n3)C[C@H]2CF)CC1 ZINC001165428784 939563607 /nfs/dbraw/zinc/56/36/07/939563607.db2.gz GIDORSRUDZIMMG-NXEZZACHSA-N 1 0 280.303 1.503 20 5 CDBDRO CC(C)(C)c1cnc(-n2ccnc2CC[NH3+])c([N+](=O)[O-])c1 ZINC001166276871 939601918 /nfs/dbraw/zinc/60/19/18/939601918.db2.gz MKGRKIJAXNCSBB-UHFFFAOYSA-N 1 0 289.339 1.974 20 5 CDBDRO CC[C@H](C)C[C@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000400987674 940862453 /nfs/dbraw/zinc/86/24/53/940862453.db2.gz ZHKZXKFDGZUEFF-GWCFXTLKSA-N 1 0 279.340 1.975 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@H]1CC[NH2+]C1 ZINC001218180884 941042236 /nfs/dbraw/zinc/04/22/36/941042236.db2.gz DFJSJRRYVQIRIR-VIFPVBQESA-N 1 0 280.280 1.431 20 5 CDBDRO COC(=O)[C@@H]1C[C@@H](OCc2ccc([N+](=O)[O-])cc2)CN1C ZINC001222791821 941634608 /nfs/dbraw/zinc/63/46/08/941634608.db2.gz WRWQEKRUMMRCQJ-OLZOCXBDSA-N 1 0 294.307 1.357 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C)OCCC[NH+]1CCCC1 ZINC001224743473 941788749 /nfs/dbraw/zinc/78/87/49/941788749.db2.gz AEGPZDQMSGWAGJ-LBPRGKRZSA-N 1 0 296.371 1.991 20 5 CDBDRO C[N@@H+]1CC[C@@H](OCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001224777229 941790805 /nfs/dbraw/zinc/79/08/05/941790805.db2.gz PJAREEMLNAZUAV-CYBMUJFWSA-N 1 0 266.297 1.694 20 5 CDBDRO COc1cc(C)cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001225337779 941845248 /nfs/dbraw/zinc/84/52/48/941845248.db2.gz PQCUTSCRNUFQKH-GFCCVEGCSA-N 1 0 282.360 1.366 20 5 CDBDRO Cc1ccnc(O[C@H](C)C[N+](C)(C)C)c1[N+](=O)[O-] ZINC001226118937 941953188 /nfs/dbraw/zinc/95/31/88/941953188.db2.gz NAOCURPTBDWJKG-SNVBAGLBSA-N 1 0 254.310 1.772 20 5 CDBDRO C[N@@H+]1CCC[C@H](Oc2c(O)cccc2[N+](=O)[O-])C1 ZINC001226334414 941988579 /nfs/dbraw/zinc/98/85/79/941988579.db2.gz ULZQBRGTRSHMMG-VIFPVBQESA-N 1 0 252.270 1.773 20 5 CDBDRO COc1cc(O[C@@H]2CC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC001226576603 942029218 /nfs/dbraw/zinc/02/92/18/942029218.db2.gz SJOGMPRNBGYAKY-MRVPVSSYSA-N 1 0 253.258 1.081 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2ncccc21 ZINC001226654711 942042509 /nfs/dbraw/zinc/04/25/09/942042509.db2.gz JBYYJMKFBHARRB-GFCCVEGCSA-N 1 0 289.355 1.597 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cnc2ccccc2c1 ZINC001226661889 942044063 /nfs/dbraw/zinc/04/40/63/942044063.db2.gz VGCRDGNUQNZWLZ-CYBMUJFWSA-N 1 0 289.355 1.597 20 5 CDBDRO COC(=O)c1ncccc1O[C@@H](C)C[N+](C)(C)C ZINC001226949048 942101073 /nfs/dbraw/zinc/10/10/73/942101073.db2.gz XNDWYIRDKXYMBS-JTQLQIEISA-N 1 0 253.322 1.342 20 5 CDBDRO COC(=O)c1cc(O)c(O[C@@H](C)C[N+](C)(C)C)c(O)c1 ZINC001227530895 942184476 /nfs/dbraw/zinc/18/44/76/942184476.db2.gz MCMWPWZRUMFTCC-VIFPVBQESA-O 1 0 284.332 1.358 20 5 CDBDRO Cc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)nc1C ZINC001228297161 942291644 /nfs/dbraw/zinc/29/16/44/942291644.db2.gz ZIRKSGQFNBODLB-GFCCVEGCSA-N 1 0 267.349 1.061 20 5 CDBDRO CCCOc1nnc(O[C@H](C)C[N+](C)(C)C)n1C ZINC001228457814 942319965 /nfs/dbraw/zinc/31/99/65/942319965.db2.gz VASYOPAYLLIMNC-SNVBAGLBSA-N 1 0 257.358 1.077 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC001229056910 942413043 /nfs/dbraw/zinc/41/30/43/942413043.db2.gz XSFFYDJRYPIHTG-LLVKDONJSA-N 1 0 294.307 1.854 20 5 CDBDRO C[C@H](C[NH+](C)C)Oc1ccc(Cl)nc1[N+](=O)[O-] ZINC001230878614 942718537 /nfs/dbraw/zinc/71/85/37/942718537.db2.gz GRPYAVZUFIQTDS-SSDOTTSWSA-N 1 0 259.693 1.972 20 5 CDBDRO Cc1nccc([N+](=O)[O-])c1O[C@H]1CCC[N@@H+](C)C1 ZINC001234902117 943970651 /nfs/dbraw/zinc/97/06/51/943970651.db2.gz WHIOKULSIPIWMH-JTQLQIEISA-N 1 0 251.286 1.771 20 5 CDBDRO COC(=O)C(C)(C)[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC001262239205 946535453 /nfs/dbraw/zinc/53/54/53/946535453.db2.gz SHZRXNALZZIIAN-LBPRGKRZSA-N 1 0 280.324 1.793 20 5 CDBDRO CC(=O)NCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254534595 947515852 /nfs/dbraw/zinc/51/58/52/947515852.db2.gz XVQMWZAKKWIWMT-JTQLQIEISA-N 1 0 265.313 1.252 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(C)OCCO1 ZINC001254538121 947516467 /nfs/dbraw/zinc/51/64/67/947516467.db2.gz PEGDADPLWPSGFK-LLVKDONJSA-N 1 0 280.324 1.878 20 5 CDBDRO C[C@@]1(O)CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254592465 947544001 /nfs/dbraw/zinc/54/40/01/947544001.db2.gz DNEOECIJNHLVAX-ZIAGYGMSSA-N 1 0 262.309 1.519 20 5 CDBDRO CO[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254593666 947545899 /nfs/dbraw/zinc/54/58/99/947545899.db2.gz NSDUPQNBXAXLPP-UONOGXRCSA-N 1 0 262.309 1.783 20 5 CDBDRO C[N@H+]([C@@H]1CCOC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599000 947546159 /nfs/dbraw/zinc/54/61/59/947546159.db2.gz JDTXXELGYWIBHH-KGLIPLIRSA-N 1 0 262.309 1.783 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCNC[C@@H]1F ZINC001246100228 947951081 /nfs/dbraw/zinc/95/10/81/947951081.db2.gz SIIOATUUEMRQLW-SWHYSGLUSA-N 1 0 281.331 1.815 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001326047342 954197123 /nfs/dbraw/zinc/19/71/23/954197123.db2.gz LZBNMZOLUXCQDS-LLVKDONJSA-N 1 0 293.367 1.987 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NC1CC[NH+](C2CC2)CC1 ZINC001328504226 955314315 /nfs/dbraw/zinc/31/43/15/955314315.db2.gz NAUPYMBZGJTNKQ-UHFFFAOYSA-N 1 0 276.340 1.759 20 5 CDBDRO C[C@H]1[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC001303802355 956121759 /nfs/dbraw/zinc/12/17/59/956121759.db2.gz VGHZPNAYCFBZFF-OIBJUYFYSA-N 1 0 296.302 1.139 20 5 CDBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC001308743093 956571753 /nfs/dbraw/zinc/57/17/53/956571753.db2.gz ZHFJSVGRFTYRJY-GXSJLCMTSA-N 1 0 296.323 1.560 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001318681060 958226696 /nfs/dbraw/zinc/22/66/96/958226696.db2.gz ZHHNGBHDELRKPC-UWVGGRQHSA-N 1 0 267.333 1.613 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001333671284 958495886 /nfs/dbraw/zinc/49/58/86/958495886.db2.gz PZERBRPBUCGLDU-WDEREUQCSA-N 1 0 279.344 1.249 20 5 CDBDRO COCC[N@@H+]1CCC[C@H](Nc2ncc([N+](=O)[O-])c(C)n2)C1 ZINC001334890518 959437242 /nfs/dbraw/zinc/43/72/42/959437242.db2.gz YIMJRYTXMIBMRX-NSHDSACASA-N 1 0 295.343 1.216 20 5 CDBDRO C[C@](O)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001335383126 959761966 /nfs/dbraw/zinc/76/19/66/959761966.db2.gz XRBVUGVNDRNGOW-KBPBESRZSA-N 1 0 280.324 1.379 20 5 CDBDRO Cc1nn(CN2CCC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC001323583264 960837452 /nfs/dbraw/zinc/83/74/52/960837452.db2.gz RMKDLSHIICIFIM-GFCCVEGCSA-N 1 0 279.344 1.227 20 5 CDBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1cc(N)c([N+](=O)[O-])cn1 ZINC001337050066 960891434 /nfs/dbraw/zinc/89/14/34/960891434.db2.gz VKUQZJFKEPLZSC-LLVKDONJSA-N 1 0 293.371 1.883 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC001337357527 961136897 /nfs/dbraw/zinc/13/68/97/961136897.db2.gz OWPGTDHSXHKKAI-CQSZACIVSA-N 1 0 289.335 1.727 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001338296172 961734142 /nfs/dbraw/zinc/73/41/42/961734142.db2.gz YGRUDFPLRAVWPJ-CYBMUJFWSA-N 1 0 277.324 1.809 20 5 CDBDRO CCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001340120071 962754848 /nfs/dbraw/zinc/75/48/48/962754848.db2.gz VFAQIRQEFCUPCW-UONOGXRCSA-N 1 0 291.351 1.814 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1SC ZINC001340263090 962848889 /nfs/dbraw/zinc/84/88/89/962848889.db2.gz WYGODQIUWWGNIZ-UHFFFAOYSA-N 1 0 283.353 1.608 20 5 CDBDRO C[N@H+](CCCCNc1cc(N)c([N+](=O)[O-])cn1)C1CC1 ZINC001348205605 965875109 /nfs/dbraw/zinc/87/51/09/965875109.db2.gz GFPUDIVGWXDHCG-UHFFFAOYSA-N 1 0 279.344 1.858 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001353632863 968116681 /nfs/dbraw/zinc/11/66/81/968116681.db2.gz GWPWPHLTAOCXHA-UWJYBYFXSA-N 1 0 263.297 1.162 20 5 CDBDRO C[C@H](NC(=O)[C@@H]([NH3+])C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001354829495 968922459 /nfs/dbraw/zinc/92/24/59/968922459.db2.gz KFTDVWGEBJCZMZ-ZANVPECISA-N 1 0 277.324 1.899 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCC(F)F)c1 ZINC001356585960 969438190 /nfs/dbraw/zinc/43/81/90/969438190.db2.gz OXAWWLCEBPHACB-SNVBAGLBSA-N 1 0 290.266 1.579 20 5 CDBDRO C[NH2+]C(C)(C)CNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001604893227 1163371535 /nfs/dbraw/zinc/37/15/35/1163371535.db2.gz ZVWXYRLYICHKQZ-UHFFFAOYSA-N 1 0 291.315 1.185 20 5 CDBDRO C[C@@H](C(=O)N1CCC[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1F ZINC001575057065 1171097217 /nfs/dbraw/zinc/09/72/17/1171097217.db2.gz NXHJKORMQDWHJQ-ZJUUUORDSA-N 1 0 295.314 1.787 20 5 CDBDRO CC[C@@H](NC(=O)[C@H](F)C1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC001578223750 1171838242 /nfs/dbraw/zinc/83/82/42/1171838242.db2.gz GYENCLGTCHYSNU-CHWSQXEVSA-N 1 0 295.314 1.720 20 5 CDBDRO CCOc1cc(N2CC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000203305897 342491748 /nfs/dbraw/zinc/49/17/48/342491748.db2.gz KCGFTNYHXSXPRW-VIFPVBQESA-N 1 0 251.286 1.531 20 5 CDBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC[C@H](O)C2)c(F)c1 ZINC000599199166 343979227 /nfs/dbraw/zinc/97/92/27/343979227.db2.gz GBHMZPJTNSKINC-JTQLQIEISA-N 1 0 269.276 1.212 20 5 CDBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000070170186 361739431 /nfs/dbraw/zinc/73/94/31/361739431.db2.gz FARDINJKEOTVRT-LLVKDONJSA-N 1 0 277.324 1.796 20 5 CDBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000079768697 342043708 /nfs/dbraw/zinc/04/37/08/342043708.db2.gz OBTHMDQKFMBZEC-ZDUSSCGKSA-N 1 0 250.298 1.798 20 5 CDBDRO O=[N+]([O-])c1cccc2c1ccnc2N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000590686256 342582878 /nfs/dbraw/zinc/58/28/78/342582878.db2.gz WXOKNQKPCGIQQD-PHIMTYICSA-N 1 0 284.319 1.799 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2cccnc2[N+](=O)[O-])C1 ZINC000609039109 342087925 /nfs/dbraw/zinc/08/79/25/342087925.db2.gz IYCLEEHFZPHZMQ-JTQLQIEISA-N 1 0 250.302 1.520 20 5 CDBDRO O=[N+]([O-])c1ncccc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000609132451 342091453 /nfs/dbraw/zinc/09/14/53/342091453.db2.gz YLOABBUCHSVCMW-WCQYABFASA-N 1 0 292.339 1.025 20 5 CDBDRO C[C@H](C[NH3+])CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591278226 342624157 /nfs/dbraw/zinc/62/41/57/342624157.db2.gz AHMRLBBNUJLAKO-SECBINFHSA-N 1 0 281.312 1.050 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000591348311 342626878 /nfs/dbraw/zinc/62/68/78/342626878.db2.gz QCXOFTOKGOPFSV-NWDGAFQWSA-N 1 0 292.339 1.664 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[NH2+]C1CC1 ZINC000591679202 342641730 /nfs/dbraw/zinc/64/17/30/342641730.db2.gz LODJYAPAVLXGBS-UHFFFAOYSA-N 1 0 277.324 1.693 20 5 CDBDRO COc1cccc(C(=O)N[C@H]2CC[NH2+]C2(C)C)c1[N+](=O)[O-] ZINC000591686645 342643315 /nfs/dbraw/zinc/64/33/15/342643315.db2.gz CYJXDNKKMCGZPE-NSHDSACASA-N 1 0 293.323 1.474 20 5 CDBDRO CC[C@H](NC(=O)[C@H](C[NH3+])OC)c1cccc([N+](=O)[O-])c1 ZINC000289835552 361836394 /nfs/dbraw/zinc/83/63/94/361836394.db2.gz DVISPQBFWXPYRG-RYUDHWBXSA-N 1 0 281.312 1.136 20 5 CDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[NH3+] ZINC000592333485 342685524 /nfs/dbraw/zinc/68/55/24/342685524.db2.gz HRWHSBXFMJWFHR-QMMMGPOBSA-N 1 0 283.353 1.784 20 5 CDBDRO C[NH2+][C@@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592425475 342690124 /nfs/dbraw/zinc/69/01/24/342690124.db2.gz DKKWORKXSQFGPS-LLVKDONJSA-N 1 0 293.323 1.160 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000592439030 342693027 /nfs/dbraw/zinc/69/30/27/342693027.db2.gz XVQPFBPCEPVVJG-RKDXNWHRSA-N 1 0 255.293 1.949 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000156882361 342169439 /nfs/dbraw/zinc/16/94/39/342169439.db2.gz LUBADUJURWBSGP-IUCAKERBSA-N 1 0 251.286 1.194 20 5 CDBDRO CC[NH+](CC)CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593382127 342793006 /nfs/dbraw/zinc/79/30/06/342793006.db2.gz IXMZBSKNQUCWOY-UHFFFAOYSA-N 1 0 297.330 1.734 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593415548 342799417 /nfs/dbraw/zinc/79/94/17/342799417.db2.gz OHLKIQMSIRQZBD-JTQLQIEISA-N 1 0 295.314 1.344 20 5 CDBDRO CCN1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1=O ZINC000593686410 342822136 /nfs/dbraw/zinc/82/21/36/342822136.db2.gz IDOPWLMPYMDNFE-LBPRGKRZSA-N 1 0 277.324 1.553 20 5 CDBDRO CC[C@H](C(N)=O)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285396903 342205844 /nfs/dbraw/zinc/20/58/44/342205844.db2.gz SXIJHNBGQROTSA-LLVKDONJSA-N 1 0 265.313 1.333 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)CCF ZINC000593690344 342823519 /nfs/dbraw/zinc/82/35/19/342823519.db2.gz XVZXFBISGTWCBT-LLVKDONJSA-N 1 0 286.303 1.804 20 5 CDBDRO C[C@H](CC[S@](C)=O)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000125498612 187187669 /nfs/dbraw/zinc/18/76/69/187187669.db2.gz XMDVWCPTQKOODQ-MLCYQJTMSA-N 1 0 270.354 1.842 20 5 CDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000588775420 342221475 /nfs/dbraw/zinc/22/14/75/342221475.db2.gz DYPOPSSUHOQTGV-KOLCDFICSA-N 1 0 293.327 1.017 20 5 CDBDRO [NH3+][C@@H]1CCCCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000600958797 342271032 /nfs/dbraw/zinc/27/10/32/342271032.db2.gz LFMJLOBLHQNYFD-SNVBAGLBSA-N 1 0 250.302 1.698 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000125765280 187198813 /nfs/dbraw/zinc/19/88/13/187198813.db2.gz MGZHZKZQVLYLLE-JTQLQIEISA-N 1 0 295.343 1.168 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000125838920 187202280 /nfs/dbraw/zinc/20/22/80/187202280.db2.gz UNGOUAMXTADJPD-IACUBPJLSA-N 1 0 289.335 1.794 20 5 CDBDRO CO[C@@H](C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000595069716 343002229 /nfs/dbraw/zinc/00/22/29/343002229.db2.gz QZAXRXJQPRVSLV-SRVKXCTJSA-N 1 0 282.344 1.900 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595233246 343016495 /nfs/dbraw/zinc/01/64/95/343016495.db2.gz JLXATBLKVZVVDZ-MRVPVSSYSA-N 1 0 252.274 1.324 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000595232877 343016594 /nfs/dbraw/zinc/01/65/94/343016594.db2.gz CIZYZZAFQFYOKT-JTQLQIEISA-N 1 0 280.328 1.941 20 5 CDBDRO O=C1CCCN1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000405332363 349783403 /nfs/dbraw/zinc/78/34/03/349783403.db2.gz DELZDULDGVNQLC-UHFFFAOYSA-N 1 0 281.287 1.446 20 5 CDBDRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595435492 343060286 /nfs/dbraw/zinc/06/02/86/343060286.db2.gz GNXXWGZMEYNZIC-NEPJUHHUSA-N 1 0 295.314 1.868 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@H+](C2CC2)C2(CO)CCC2)c1 ZINC000595533948 343091225 /nfs/dbraw/zinc/09/12/25/343091225.db2.gz QCIPPSAHGBVWKT-UHFFFAOYSA-N 1 0 280.328 1.171 20 5 CDBDRO C[C@H](O)[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000595770125 343146425 /nfs/dbraw/zinc/14/64/25/343146425.db2.gz NIYANDFRWHPKDD-NWDGAFQWSA-N 1 0 280.324 1.819 20 5 CDBDRO COc1cc(C(=O)NC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000457200773 365711662 /nfs/dbraw/zinc/71/16/62/365711662.db2.gz FGVYWKYCVSNLSJ-UHFFFAOYSA-N 1 0 295.339 1.673 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000595982373 343210685 /nfs/dbraw/zinc/21/06/85/343210685.db2.gz JFOKQYDMXADKLQ-QMMMGPOBSA-N 1 0 283.353 1.654 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000595983742 343211268 /nfs/dbraw/zinc/21/12/68/343211268.db2.gz RMJGRIZKSCUIBK-VIFPVBQESA-N 1 0 251.286 1.241 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000595984643 343211577 /nfs/dbraw/zinc/21/15/77/343211577.db2.gz XOQRNTYRGONUNO-MRVPVSSYSA-N 1 0 283.353 1.654 20 5 CDBDRO CC[NH+](CC)CCSc1ncc([N+](=O)[O-])cn1 ZINC000273159501 192061303 /nfs/dbraw/zinc/06/13/03/192061303.db2.gz JXYBHJYFSNJOLL-UHFFFAOYSA-N 1 0 256.331 1.819 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000595919635 343191846 /nfs/dbraw/zinc/19/18/46/343191846.db2.gz LIUYFEKWHQPWTK-JTQLQIEISA-N 1 0 281.312 1.218 20 5 CDBDRO O=C(CC[NH2+]CCOCCF)Nc1ccccc1[N+](=O)[O-] ZINC000596068937 343224878 /nfs/dbraw/zinc/22/48/78/343224878.db2.gz BGCDWJFHESAISK-UHFFFAOYSA-N 1 0 299.302 1.499 20 5 CDBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1CC1 ZINC000596115271 343231271 /nfs/dbraw/zinc/23/12/71/343231271.db2.gz SVJYAPPOBLKWTP-CYBMUJFWSA-N 1 0 292.339 1.446 20 5 CDBDRO O=c1[nH]ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000596092934 343234719 /nfs/dbraw/zinc/23/47/19/343234719.db2.gz YEMGHVDNYDNVID-MRVPVSSYSA-N 1 0 264.285 1.344 20 5 CDBDRO C[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000596133192 343238815 /nfs/dbraw/zinc/23/88/15/343238815.db2.gz FGKVXZUDBCQGHR-JTQLQIEISA-N 1 0 296.327 1.076 20 5 CDBDRO C[C@@H](Nc1ccc(N)c([N+](=O)[O-])n1)C(C)(C)C[NH+](C)C ZINC000596144499 343242963 /nfs/dbraw/zinc/24/29/63/343242963.db2.gz FVKYGFXBMKUNSC-SECBINFHSA-N 1 0 281.360 1.382 20 5 CDBDRO CC(C)[NH+](CCCNc1ccc(N)c([N+](=O)[O-])n1)C(C)C ZINC000596146616 343243706 /nfs/dbraw/zinc/24/37/06/343243706.db2.gz FUOJSGKCUAFQIN-UHFFFAOYSA-N 1 0 295.387 1.915 20 5 CDBDRO C[NH+](C)C1(CNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596275176 343295267 /nfs/dbraw/zinc/29/52/67/343295267.db2.gz OOJJLJQFTAUFGS-UHFFFAOYSA-N 1 0 252.274 1.202 20 5 CDBDRO CCc1nn(C)c(NC[C@@H](C2CC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000091481877 342404518 /nfs/dbraw/zinc/40/45/18/342404518.db2.gz LQESCFFXVMDGGU-NSHDSACASA-N 1 0 281.360 1.643 20 5 CDBDRO Cc1ccc(C[N@H+](C)C[C@@H]2COCCO2)cc1[N+](=O)[O-] ZINC000597208298 343474828 /nfs/dbraw/zinc/47/48/28/343474828.db2.gz ZHLDRFJYIRSUOM-CYBMUJFWSA-N 1 0 280.324 1.750 20 5 CDBDRO O=C1[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@H]2CCCCN12 ZINC000453625665 252329481 /nfs/dbraw/zinc/32/94/81/252329481.db2.gz LCLNUXFTWQBWLG-OCCSQVGLSA-N 1 0 289.335 1.838 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000072751707 349816197 /nfs/dbraw/zinc/81/61/97/349816197.db2.gz IQVYCCVEQIMSRJ-UHFFFAOYSA-N 1 0 285.307 1.711 20 5 CDBDRO Cc1cc(C(=O)N2CC(C[NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000597709562 343607074 /nfs/dbraw/zinc/60/70/74/343607074.db2.gz YAVOEQLHZNDKQJ-UHFFFAOYSA-N 1 0 277.324 1.537 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000234395647 290697214 /nfs/dbraw/zinc/69/72/14/290697214.db2.gz LWKSKPATASCGMP-QMMMGPOBSA-N 1 0 270.720 1.831 20 5 CDBDRO C[NH+](C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000457224048 365789811 /nfs/dbraw/zinc/78/98/11/365789811.db2.gz QUJBDPPXNXKJQM-UHFFFAOYSA-N 1 0 265.313 1.665 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598914052 343919497 /nfs/dbraw/zinc/91/94/97/343919497.db2.gz WMLMNLSLOMXAPR-MRVPVSSYSA-N 1 0 284.291 1.983 20 5 CDBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[C@H]1[NH3+] ZINC000598916310 343920179 /nfs/dbraw/zinc/92/01/79/343920179.db2.gz XRFJUVSZROJJPY-LDYMZIIASA-N 1 0 296.302 1.935 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1 ZINC000599083050 343957625 /nfs/dbraw/zinc/95/76/25/343957625.db2.gz GXXNDZLHNQDXTQ-YABSGUDNSA-N 1 0 261.325 1.899 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2CO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000402056329 344158558 /nfs/dbraw/zinc/15/85/58/344158558.db2.gz RLLKDIODHXRWPV-MWLCHTKSSA-N 1 0 266.297 1.870 20 5 CDBDRO CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)C1CC[NH+](C)CC1 ZINC000599985384 344160146 /nfs/dbraw/zinc/16/01/46/344160146.db2.gz DKSFNVKAHXHEIQ-UHFFFAOYSA-N 1 0 280.328 1.479 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602423019 344420329 /nfs/dbraw/zinc/42/03/29/344420329.db2.gz BLIMYMGUJYQQNS-MRVPVSSYSA-N 1 0 267.260 1.168 20 5 CDBDRO C[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000602433579 344424824 /nfs/dbraw/zinc/42/48/24/344424824.db2.gz MOHRPLRTLIHRPZ-PSASIEDQSA-N 1 0 281.287 1.543 20 5 CDBDRO CC(C)CC[C@@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000602439304 344417225 /nfs/dbraw/zinc/41/72/25/344417225.db2.gz JNEJGWMVHZKQFX-CYBMUJFWSA-N 1 0 279.340 1.975 20 5 CDBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000273195039 192071682 /nfs/dbraw/zinc/07/16/82/192071682.db2.gz QLGWQKYFJARDFH-SNVBAGLBSA-N 1 0 265.317 1.671 20 5 CDBDRO Cn1ncnc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000602581581 344475875 /nfs/dbraw/zinc/47/58/75/344475875.db2.gz USWBUGYYFQAOMZ-UHFFFAOYSA-N 1 0 261.285 1.056 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C1 ZINC000052093228 362402580 /nfs/dbraw/zinc/40/25/80/362402580.db2.gz FCXBWJRBJFACML-VIFPVBQESA-N 1 0 250.258 1.078 20 5 CDBDRO CO[C@H]1COCC[C@@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602676420 344525486 /nfs/dbraw/zinc/52/54/86/344525486.db2.gz PKJFCAWTNYVJPQ-HIFRSBDPSA-N 1 0 294.351 1.778 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2cn[nH]c2)cc1 ZINC000602667994 344537197 /nfs/dbraw/zinc/53/71/97/344537197.db2.gz AAJQUSSYSITMLK-UHFFFAOYSA-N 1 0 260.297 1.693 20 5 CDBDRO C[N@@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602713803 344553841 /nfs/dbraw/zinc/55/38/41/344553841.db2.gz CXDAQZVTUPIVNS-YVZNUBBCSA-N 1 0 291.351 1.216 20 5 CDBDRO COC1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602759924 344582927 /nfs/dbraw/zinc/58/29/27/344582927.db2.gz RTCVXLYNIALQOV-UHFFFAOYSA-N 1 0 268.317 1.211 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCSCC[C@@H]1C ZINC000602832254 344614399 /nfs/dbraw/zinc/61/43/99/344614399.db2.gz WFHQWXLNCGLXAN-JTQLQIEISA-N 1 0 284.385 1.927 20 5 CDBDRO CC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000602808135 344601631 /nfs/dbraw/zinc/60/16/31/344601631.db2.gz CKUFSDHTIVOXAX-RYUDHWBXSA-N 1 0 282.344 1.647 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC2(CC2)C1 ZINC000602812268 344604149 /nfs/dbraw/zinc/60/41/49/344604149.db2.gz PBTVDLJYIJRXFZ-UHFFFAOYSA-N 1 0 264.329 1.976 20 5 CDBDRO CC[C@@H]1OCC[C@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602841310 344622286 /nfs/dbraw/zinc/62/22/86/344622286.db2.gz SVJFCMVGRHZOEF-MNOVXSKESA-N 1 0 268.317 1.257 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CSCC[NH2+]2)cn1 ZINC000603419665 344799286 /nfs/dbraw/zinc/79/92/86/344799286.db2.gz PDPQBPLXALUZKP-SECBINFHSA-N 1 0 254.315 1.107 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CSCC[NH2+]2)c(Cl)c1 ZINC000603420649 344799857 /nfs/dbraw/zinc/79/98/57/344799857.db2.gz VPPKLMXKDGTPOX-SSDOTTSWSA-N 1 0 288.760 1.760 20 5 CDBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000603432405 344803714 /nfs/dbraw/zinc/80/37/14/344803714.db2.gz IFMGGUJGVBRMMV-NEPJUHHUSA-N 1 0 267.304 1.949 20 5 CDBDRO [NH3+]C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C1CCCCC1 ZINC000127326718 187297172 /nfs/dbraw/zinc/29/71/72/187297172.db2.gz OQHMTFRZAMRPPZ-JTQLQIEISA-N 1 0 281.312 1.825 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)c1 ZINC000292792624 362500803 /nfs/dbraw/zinc/50/08/03/362500803.db2.gz UZLBONAPBDWNGP-OLZOCXBDSA-N 1 0 266.297 1.224 20 5 CDBDRO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293251565 362535818 /nfs/dbraw/zinc/53/58/18/362535818.db2.gz BORWXQBLYGSCGS-RKDXNWHRSA-N 1 0 280.328 1.352 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCSCCCO)cc1 ZINC000230789826 345452781 /nfs/dbraw/zinc/45/27/81/345452781.db2.gz CZXAUPARUMKUND-UHFFFAOYSA-N 1 0 284.381 1.843 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000545161473 362642913 /nfs/dbraw/zinc/64/29/13/362642913.db2.gz XABBMTXZOSCVER-DOMZBBRYSA-N 1 0 293.367 1.620 20 5 CDBDRO C[C@H]([N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000610335770 346255187 /nfs/dbraw/zinc/25/51/87/346255187.db2.gz GZNHPLGTOXPUEF-JQWIXIFHSA-N 1 0 284.360 1.519 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C[N@@H+]1C1CC1 ZINC000610653928 346336163 /nfs/dbraw/zinc/33/61/63/346336163.db2.gz CABVMWLVEXPWCG-RKDXNWHRSA-N 1 0 278.312 1.278 20 5 CDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000273308608 192107252 /nfs/dbraw/zinc/10/72/52/192107252.db2.gz IFMGZWGBZJDNRI-VXGBXAGGSA-N 1 0 296.323 1.055 20 5 CDBDRO COCC[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000054361997 347820430 /nfs/dbraw/zinc/82/04/30/347820430.db2.gz ICLUAVRRQRHZPX-UHFFFAOYSA-N 1 0 254.286 1.552 20 5 CDBDRO CC1(C)CCC[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000094324253 365935074 /nfs/dbraw/zinc/93/50/74/365935074.db2.gz CBGWFDZGFUHRAE-VXGBXAGGSA-N 1 0 282.344 1.321 20 5 CDBDRO Cc1ccc(C(=O)NCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000067701731 349033707 /nfs/dbraw/zinc/03/37/07/349033707.db2.gz HMLPHHZVJNKQFR-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000073656697 349172515 /nfs/dbraw/zinc/17/25/15/349172515.db2.gz XZIXCKWLJQUCSY-JTQLQIEISA-N 1 0 280.328 1.527 20 5 CDBDRO Cn1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000113711451 349258865 /nfs/dbraw/zinc/25/88/65/349258865.db2.gz HKPWVOGFBFBHOP-UHFFFAOYSA-N 1 0 276.296 1.497 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(CN3C[C@H]4C[NH2+]C[C@@H]4C3)nc2c1 ZINC000618275871 349424322 /nfs/dbraw/zinc/42/43/22/349424322.db2.gz DTCPOTZWUCXGQF-NXEZZACHSA-N 1 0 287.323 1.122 20 5 CDBDRO CC(C)[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000106409296 186114662 /nfs/dbraw/zinc/11/46/62/186114662.db2.gz YJUSRAVGNQHIPO-CYBMUJFWSA-N 1 0 279.340 1.797 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000129902435 187459164 /nfs/dbraw/zinc/45/91/64/187459164.db2.gz ZYPKLRFGCFPGTK-GHMZBOCLSA-N 1 0 277.324 1.726 20 5 CDBDRO CCCN(CC[NH+](CC)CC)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000619834875 350859146 /nfs/dbraw/zinc/85/91/46/350859146.db2.gz HMTNAZWNNXGZSA-UHFFFAOYSA-N 1 0 297.359 1.512 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000111270835 186384433 /nfs/dbraw/zinc/38/44/33/186384433.db2.gz FZZYARGMOQYZNK-ZWNOBZJWSA-N 1 0 277.324 1.109 20 5 CDBDRO CCCC[C@H]([NH3+])C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353472639 363043824 /nfs/dbraw/zinc/04/38/24/363043824.db2.gz QSSSEDNAHLQQKQ-NSHDSACASA-N 1 0 295.339 1.737 20 5 CDBDRO C[C@@](C[NH3+])(NC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000133734318 366042321 /nfs/dbraw/zinc/04/23/21/366042321.db2.gz KQIMOOTZBCJJGK-ZDUSSCGKSA-N 1 0 278.312 1.844 20 5 CDBDRO Cc1nc(NCC[N@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000280247696 363102820 /nfs/dbraw/zinc/10/28/20/363102820.db2.gz MWTQCOANEMTDAE-UHFFFAOYSA-N 1 0 262.313 1.972 20 5 CDBDRO C[C@H](CCCC[NH3+])NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000291991943 198127951 /nfs/dbraw/zinc/12/79/51/198127951.db2.gz BGCQRUBJWGAAJS-SECBINFHSA-N 1 0 283.303 1.981 20 5 CDBDRO O=[N+]([O-])c1c(NC[C@@H]2COCC[NH2+]2)ccc2ncccc21 ZINC000236415771 363162235 /nfs/dbraw/zinc/16/22/35/363162235.db2.gz CABHLKVMGKGXRH-SNVBAGLBSA-N 1 0 288.307 1.543 20 5 CDBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000292048917 198144859 /nfs/dbraw/zinc/14/48/59/198144859.db2.gz BKKGWPJZBANHFO-UHFFFAOYSA-N 1 0 250.298 1.942 20 5 CDBDRO Cc1sc(C(=O)N[C@@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000295159183 199379409 /nfs/dbraw/zinc/37/94/09/199379409.db2.gz DONXEWLMVPYNPP-ZETCQYMHSA-N 1 0 271.342 1.822 20 5 CDBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000361762104 358475052 /nfs/dbraw/zinc/47/50/52/358475052.db2.gz BRHXTNARPHHNGP-GXSJLCMTSA-N 1 0 268.317 1.376 20 5 CDBDRO COCC(C)(C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000292390531 198270359 /nfs/dbraw/zinc/27/03/59/198270359.db2.gz SFJURQFUTXTHGK-UHFFFAOYSA-N 1 0 256.306 1.148 20 5 CDBDRO C[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)C[NH+](C)C ZINC000292396479 198272697 /nfs/dbraw/zinc/27/26/97/198272697.db2.gz NYZPKSNFPWJHGQ-MRVPVSSYSA-N 1 0 271.342 1.584 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000157795548 188339649 /nfs/dbraw/zinc/33/96/49/188339649.db2.gz GJPXZNOPDAWPHK-LBPRGKRZSA-N 1 0 277.324 1.477 20 5 CDBDRO [NH3+]C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000164659876 363335016 /nfs/dbraw/zinc/33/50/16/363335016.db2.gz RSMGIJZXYSQYMC-LLVKDONJSA-N 1 0 285.731 1.408 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000094339280 366156010 /nfs/dbraw/zinc/15/60/10/366156010.db2.gz YFIHISNWFYOHTK-ZYHUDNBSSA-N 1 0 277.324 1.713 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NCC2=CC[N@H+](C)CC2)n1 ZINC000271750916 191305387 /nfs/dbraw/zinc/30/53/87/191305387.db2.gz BWFDEIJPSUMSMK-UHFFFAOYSA-N 1 0 262.313 1.972 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000237458691 295894032 /nfs/dbraw/zinc/89/40/32/295894032.db2.gz XSWCYIWUHCYVET-ZETCQYMHSA-N 1 0 271.704 1.667 20 5 CDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408070035 291062347 /nfs/dbraw/zinc/06/23/47/291062347.db2.gz DSQOQLKCFHHPPE-CMPLNLGQSA-N 1 0 292.339 1.622 20 5 CDBDRO CC(C)C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272976678 192003828 /nfs/dbraw/zinc/00/38/28/192003828.db2.gz CHVWIGYLTGPDMD-GFCCVEGCSA-N 1 0 282.340 1.922 20 5 CDBDRO Cc1n[nH]c(C(=O)NC2(C[NH3+])CCCCC2)c1[N+](=O)[O-] ZINC001579514175 1172204408 /nfs/dbraw/zinc/20/44/08/1172204408.db2.gz ILAJPRORZSXELX-UHFFFAOYSA-N 1 0 281.316 1.018 20 5 CDBDRO CC(C)([NH3+])c1noc(COc2ccc([N+](=O)[O-])cc2)n1 ZINC000043402651 356645440 /nfs/dbraw/zinc/64/54/40/356645440.db2.gz CLKVXLLDAUKRRQ-UHFFFAOYSA-N 1 0 278.268 1.751 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])c[nH]1 ZINC000407967080 356665355 /nfs/dbraw/zinc/66/53/55/356665355.db2.gz OSKTZXGMJLUVHD-PWSUYJOCSA-N 1 0 278.312 1.280 20 5 CDBDRO O=C(C[NH2+]C1CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000238154395 356800205 /nfs/dbraw/zinc/80/02/05/356800205.db2.gz GHDAJCQZPYVICP-UHFFFAOYSA-N 1 0 289.335 1.838 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163586604 356916566 /nfs/dbraw/zinc/91/65/66/356916566.db2.gz VSVILUCHMFMPAQ-PWSUYJOCSA-N 1 0 277.324 1.652 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000261790765 357322402 /nfs/dbraw/zinc/32/24/02/357322402.db2.gz XUYNLZNFWHJQJO-UHFFFAOYSA-N 1 0 293.323 1.794 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000261864045 357336414 /nfs/dbraw/zinc/33/64/14/357336414.db2.gz RNIJZNRYNHMQMO-SFYZADRCSA-N 1 0 296.302 1.125 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1-c1nc(C2([NH3+])CCC2)no1 ZINC000262039371 357355636 /nfs/dbraw/zinc/35/56/36/357355636.db2.gz YDJVEUKNFUCIQO-UHFFFAOYSA-N 1 0 290.279 1.991 20 5 CDBDRO C[NH+](C)C/C=C/C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000264650983 357648300 /nfs/dbraw/zinc/64/83/00/357648300.db2.gz SHTPGBLRLZGDCJ-ONEGZZNKSA-N 1 0 263.297 1.329 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000135227498 357799556 /nfs/dbraw/zinc/79/95/56/357799556.db2.gz UCOWMFJEQCUNJB-LLVKDONJSA-N 1 0 277.324 1.585 20 5 CDBDRO C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000135230065 357799590 /nfs/dbraw/zinc/79/95/90/357799590.db2.gz ASPGVTFQONMRAI-GHMZBOCLSA-N 1 0 277.324 1.346 20 5 CDBDRO CC(C)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(N)=O ZINC000566476284 357822561 /nfs/dbraw/zinc/82/25/61/357822561.db2.gz VWGDXTPGFTVDAN-LLVKDONJSA-N 1 0 277.324 1.683 20 5 CDBDRO C[C@H](O)CC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072714895 357891750 /nfs/dbraw/zinc/89/17/50/357891750.db2.gz WYMNTOPDWLHENQ-NSHDSACASA-N 1 0 295.339 1.626 20 5 CDBDRO C[C@@]1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000062899061 357980207 /nfs/dbraw/zinc/98/02/07/357980207.db2.gz VFGJCYAGJHKYSY-CQSZACIVSA-N 1 0 277.324 1.253 20 5 CDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408122671 358164164 /nfs/dbraw/zinc/16/41/64/358164164.db2.gz YPVOEYINEIWFRB-ZWNOBZJWSA-N 1 0 292.339 1.622 20 5 CDBDRO C[C@@H]1c2cccn2CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000361376866 358171424 /nfs/dbraw/zinc/17/14/24/358171424.db2.gz IRPZCCHGWJSBKP-SNVBAGLBSA-N 1 0 275.312 1.707 20 5 CDBDRO C[N@H+]1C[C@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000192540915 358214599 /nfs/dbraw/zinc/21/45/99/358214599.db2.gz ZDWFRSZNQZJCEB-BETUJISGSA-N 1 0 289.335 1.157 20 5 CDBDRO C[C@H](O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192588410 358219585 /nfs/dbraw/zinc/21/95/85/358219585.db2.gz VULJCSLTMYFXLP-ZANVPECISA-N 1 0 250.298 1.943 20 5 CDBDRO Cc1sc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000193559306 358303635 /nfs/dbraw/zinc/30/36/35/358303635.db2.gz DHQXAQRLJUAYQN-IONNQARKSA-N 1 0 283.353 1.835 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000186837423 358830188 /nfs/dbraw/zinc/83/01/88/358830188.db2.gz JZNBVATYURWGEW-ONGXEEELSA-N 1 0 263.297 1.323 20 5 CDBDRO CN(C(=O)c1ccc(F)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000121010290 358903092 /nfs/dbraw/zinc/90/30/92/358903092.db2.gz VVZMTVDYHQVFDC-UHFFFAOYSA-N 1 0 295.314 1.900 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000127552093 359138958 /nfs/dbraw/zinc/13/89/58/359138958.db2.gz RBFRGLWFHAOBKY-NEPJUHHUSA-N 1 0 275.308 1.561 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000339131435 359296550 /nfs/dbraw/zinc/29/65/50/359296550.db2.gz IHIXUCDHPRFILL-LBPRGKRZSA-N 1 0 280.328 1.607 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000050246050 359406494 /nfs/dbraw/zinc/40/64/94/359406494.db2.gz TYVDEBIORHQZCA-SNVBAGLBSA-N 1 0 263.297 1.324 20 5 CDBDRO C[N@@H+]1CC[C@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000571749168 359608959 /nfs/dbraw/zinc/60/89/59/359608959.db2.gz RIAHBRRLJMLCRC-NSHDSACASA-N 1 0 291.351 1.898 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000122307096 283472632 /nfs/dbraw/zinc/47/26/32/283472632.db2.gz LFBFQPZJGSVKKF-VIFPVBQESA-N 1 0 283.715 1.812 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000572137842 359911344 /nfs/dbraw/zinc/91/13/44/359911344.db2.gz HFEVBKQDYNQLKO-NWDGAFQWSA-N 1 0 276.340 1.816 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000089090895 283516993 /nfs/dbraw/zinc/51/69/93/283516993.db2.gz RJBVVRSTLJZIDC-ZYHUDNBSSA-N 1 0 263.297 1.452 20 5 CDBDRO CC[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000054263150 360065094 /nfs/dbraw/zinc/06/50/94/360065094.db2.gz LNQJPANGPXQHDY-UHFFFAOYSA-N 1 0 251.286 1.243 20 5 CDBDRO CC[C@@H]([NH3+])CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000138076840 360119029 /nfs/dbraw/zinc/11/90/29/360119029.db2.gz MJEOAIJAFRTUAX-MRVPVSSYSA-N 1 0 287.341 1.148 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)CC[NH+](C)C)n1 ZINC000166719346 360234769 /nfs/dbraw/zinc/23/47/69/360234769.db2.gz MEQZWRSBMJHZKR-VIFPVBQESA-N 1 0 296.327 1.529 20 5 CDBDRO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000298442417 200431355 /nfs/dbraw/zinc/43/13/55/200431355.db2.gz WLDVZSNFUXOKPN-VIFPVBQESA-N 1 0 266.301 1.666 20 5 CDBDRO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000385839488 360358639 /nfs/dbraw/zinc/35/86/39/360358639.db2.gz VNUSRCLBKBVCGK-JQWIXIFHSA-N 1 0 250.298 1.798 20 5 CDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000348160398 360534050 /nfs/dbraw/zinc/53/40/50/360534050.db2.gz PALJDHRQBGEYLR-WCQYABFASA-N 1 0 295.314 1.738 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000575052659 360677818 /nfs/dbraw/zinc/67/78/18/360677818.db2.gz FVKLBNZEQFQDFW-LLVKDONJSA-N 1 0 293.323 1.557 20 5 CDBDRO CCCC[N@H+](CCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178563668 189127093 /nfs/dbraw/zinc/12/70/93/189127093.db2.gz QJYBEVKLRPNDJO-CQSZACIVSA-N 1 0 282.340 1.723 20 5 CDBDRO CCCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1CC[NH2+]C1 ZINC000178899781 189153555 /nfs/dbraw/zinc/15/35/55/189153555.db2.gz XIZPLSRWBXAOLR-JTQLQIEISA-N 1 0 292.339 1.391 20 5 CDBDRO Cc1ccc(C[N@@H+]2CCC[C@H](OCCO)C2)cc1[N+](=O)[O-] ZINC000179573251 189203075 /nfs/dbraw/zinc/20/30/75/189203075.db2.gz QJPZICDLXQICBU-AWEZNQCLSA-N 1 0 294.351 1.877 20 5 CDBDRO Cc1c(Cn2cc(CCC[NH3+])nn2)cccc1[N+](=O)[O-] ZINC000229830854 360932462 /nfs/dbraw/zinc/93/24/62/360932462.db2.gz GYFJCMOHWJQBQI-UHFFFAOYSA-N 1 0 275.312 1.434 20 5 CDBDRO COc1ccc(C[NH2+][C@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000168183640 361033002 /nfs/dbraw/zinc/03/30/02/361033002.db2.gz OKHUUTDNDSAQQC-AYLIAGHASA-N 1 0 286.353 1.460 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000070075760 361237086 /nfs/dbraw/zinc/23/70/86/361237086.db2.gz BELLVBZRYAUGNK-GHMZBOCLSA-N 1 0 277.324 1.726 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000449595078 361297295 /nfs/dbraw/zinc/29/72/95/361297295.db2.gz ZRYCQDHBGLDPRX-YUMQZZPRSA-N 1 0 277.280 1.807 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000088147705 283681155 /nfs/dbraw/zinc/68/11/55/283681155.db2.gz DIBVNIPXSUITEZ-NSHDSACASA-N 1 0 277.324 1.727 20 5 CDBDRO Cc1cnc(NC[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000291638921 239214327 /nfs/dbraw/zinc/21/43/27/239214327.db2.gz AZNRTZQEXAMZPU-JTQLQIEISA-N 1 0 252.318 1.908 20 5 CDBDRO CC[N@H+](C)C[C@H](O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000580752619 363943018 /nfs/dbraw/zinc/94/30/18/363943018.db2.gz FWEIQODSCLGMHJ-ZDUSSCGKSA-N 1 0 281.356 1.339 20 5 CDBDRO CCC[N@H+](CC)CCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000175454805 364411327 /nfs/dbraw/zinc/41/13/27/364411327.db2.gz SKFNPHJRWBNRNG-UHFFFAOYSA-N 1 0 295.339 1.762 20 5 CDBDRO C[NH+]1CCC(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000174534598 364488998 /nfs/dbraw/zinc/48/89/98/364488998.db2.gz NNHIJVPFYMGFKW-UHFFFAOYSA-N 1 0 289.335 1.826 20 5 CDBDRO Cc1c(CN2CCO[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000094267502 364727693 /nfs/dbraw/zinc/72/76/93/364727693.db2.gz CHLOWFYQDDAZPC-LBPRGKRZSA-N 1 0 266.297 1.096 20 5 CDBDRO CC[N@H+](CCNC(=O)c1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000104409460 364808486 /nfs/dbraw/zinc/80/84/86/364808486.db2.gz LQSJDMJANNVWOM-UHFFFAOYSA-N 1 0 295.314 1.948 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000457111665 365406694 /nfs/dbraw/zinc/40/66/94/365406694.db2.gz ITGFPUHPALVKKP-LLVKDONJSA-N 1 0 294.355 1.488 20 5 CDBDRO Cc1ccc(NC(=O)NCCCC[NH3+])cc1[N+](=O)[O-] ZINC000414655410 241303996 /nfs/dbraw/zinc/30/39/96/241303996.db2.gz HIJWRUNAUHNWIC-UHFFFAOYSA-N 1 0 266.301 1.764 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000414658680 241305399 /nfs/dbraw/zinc/30/53/99/241305399.db2.gz LWWWVGGVKOHQSP-VIFPVBQESA-N 1 0 280.328 1.880 20 5 CDBDRO Cc1c(NC(=O)N[C@H](C)CC[NH3+])cccc1[N+](=O)[O-] ZINC000414708664 241343299 /nfs/dbraw/zinc/34/32/99/241343299.db2.gz QKSVWTLAYIESAH-MRVPVSSYSA-N 1 0 266.301 1.762 20 5 CDBDRO C[C@H](O)CN(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000090360448 367034134 /nfs/dbraw/zinc/03/41/34/367034134.db2.gz LQCAMRNUIAPNLF-QMMMGPOBSA-N 1 0 269.257 1.316 20 5 CDBDRO C[NH2+]CCN[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414830343 241408127 /nfs/dbraw/zinc/40/81/27/241408127.db2.gz NXTYQJUXAVTVCK-LLVKDONJSA-N 1 0 251.330 1.725 20 5 CDBDRO C[C@H](NC(=O)NC[C@@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000417145705 242336585 /nfs/dbraw/zinc/33/65/85/242336585.db2.gz XHPSUQGQUWAYLE-TVQRCGJNSA-N 1 0 292.339 1.692 20 5 CDBDRO CCCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000441201634 368417252 /nfs/dbraw/zinc/41/72/52/368417252.db2.gz MYYPXIRBXOPGFC-ZDUSSCGKSA-N 1 0 282.344 1.417 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])c(N)c1F ZINC000286333806 368786046 /nfs/dbraw/zinc/78/60/46/368786046.db2.gz IBUMJJNVQNGXAN-ZETCQYMHSA-N 1 0 256.281 1.678 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000420630082 244294781 /nfs/dbraw/zinc/29/47/81/244294781.db2.gz DHLWTXYCOACSJB-SNVBAGLBSA-N 1 0 292.339 1.224 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N(C)C[C@H]1CCC[N@@H+]1C ZINC000420630193 244296071 /nfs/dbraw/zinc/29/60/71/244296071.db2.gz DNGVKKJVRCWOJT-LLVKDONJSA-N 1 0 281.360 1.650 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(CF)CC2)n1 ZINC000295212194 369644812 /nfs/dbraw/zinc/64/48/12/369644812.db2.gz WSOUDFITPZGCPD-UHFFFAOYSA-N 1 0 256.281 1.473 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000295341397 369987748 /nfs/dbraw/zinc/98/77/48/369987748.db2.gz YFERPFHERQGIQY-SNVBAGLBSA-N 1 0 281.312 1.217 20 5 CDBDRO CN(C)C(=O)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037752114 370055861 /nfs/dbraw/zinc/05/58/61/370055861.db2.gz KXPBDABHOTWEPW-UHFFFAOYSA-N 1 0 257.315 1.224 20 5 CDBDRO C[NH2+]CCCC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766551 370079219 /nfs/dbraw/zinc/07/92/19/370079219.db2.gz UKPPYGAGKDWFNZ-SNVBAGLBSA-N 1 0 265.313 1.772 20 5 CDBDRO C[C@H](NC(=O)[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000037766495 370079232 /nfs/dbraw/zinc/07/92/32/370079232.db2.gz UONZUQCMNNUBHP-JQWIXIFHSA-N 1 0 277.324 1.772 20 5 CDBDRO CC[C@@H](C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[NH+](C)C ZINC000272844389 370224171 /nfs/dbraw/zinc/22/41/71/370224171.db2.gz HCAIBRQNDBUVQE-JTQLQIEISA-N 1 0 281.312 1.882 20 5 CDBDRO CC[C@H](CO)[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000295599878 370513321 /nfs/dbraw/zinc/51/33/21/370513321.db2.gz CDVKQNIFKCLMDB-SNVBAGLBSA-N 1 0 286.303 1.945 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000422604577 245128631 /nfs/dbraw/zinc/12/86/31/245128631.db2.gz OLRQHYZAEUOXQF-UHFFFAOYSA-N 1 0 294.355 1.564 20 5 CDBDRO COc1cc(C(=O)N2CCC[NH2+]CC2)cc([N+](=O)[O-])c1C ZINC000422707233 245166440 /nfs/dbraw/zinc/16/64/40/245166440.db2.gz GYFTUPPYMNXCII-UHFFFAOYSA-N 1 0 293.323 1.347 20 5 CDBDRO [NH3+][C@@H](CNC/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000414892491 371032763 /nfs/dbraw/zinc/03/27/63/371032763.db2.gz JFXZOUAKDKYQLN-DXTPNHAXSA-N 1 0 261.325 1.935 20 5 CDBDRO Cc1c(CC(=O)NC[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000422767312 245233874 /nfs/dbraw/zinc/23/38/74/245233874.db2.gz RVMJKJLTPURRQO-LBPRGKRZSA-N 1 0 291.351 1.562 20 5 CDBDRO C[C@H](C[C@@H]1COCCN1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422796930 245267071 /nfs/dbraw/zinc/26/70/71/245267071.db2.gz ZLQIDIBIPGEYBT-TZMCWYRMSA-N 1 0 293.367 1.494 20 5 CDBDRO COc1cccc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC000422823825 245301647 /nfs/dbraw/zinc/30/16/47/245301647.db2.gz MILKROSBKJFLPZ-NXEZZACHSA-N 1 0 293.323 1.426 20 5 CDBDRO Cc1c(CC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000422864651 245351077 /nfs/dbraw/zinc/35/10/77/245351077.db2.gz NLEFSZJPFUKQFK-CHWSQXEVSA-N 1 0 291.351 1.689 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[NH+](C2CCCC2)CC1 ZINC000331869820 204248461 /nfs/dbraw/zinc/24/84/61/204248461.db2.gz DSMRHFXVZSLREQ-UHFFFAOYSA-N 1 0 293.371 1.389 20 5 CDBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1[C@H]1CCCO1 ZINC000368073654 371506743 /nfs/dbraw/zinc/50/67/43/371506743.db2.gz LMJAGQXEVIGGJG-OLZOCXBDSA-N 1 0 294.355 1.681 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)ccc1[N+](=O)[O-] ZINC000368154256 371751928 /nfs/dbraw/zinc/75/19/28/371751928.db2.gz MNZKLHNCDLYKDS-QWRGUYRKSA-N 1 0 281.287 1.333 20 5 CDBDRO C[C@@]1(O)CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269637987 373238708 /nfs/dbraw/zinc/23/87/08/373238708.db2.gz HYOSVBUZWVVLDA-QWHCGFSZSA-N 1 0 266.297 1.085 20 5 CDBDRO COCCC[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269651611 373297883 /nfs/dbraw/zinc/29/78/83/373297883.db2.gz MKFSQVKPTSYEDX-ZDUSSCGKSA-N 1 0 268.313 1.597 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000368337367 373323497 /nfs/dbraw/zinc/32/34/97/373323497.db2.gz UDCDLMBEABPPHH-WDNDVIMCSA-N 1 0 278.308 1.144 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[NH+](C)C ZINC000298355543 373511551 /nfs/dbraw/zinc/51/15/51/373511551.db2.gz OAZBGKATRGHUSP-ZETCQYMHSA-N 1 0 257.315 1.336 20 5 CDBDRO C[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000298725375 374082669 /nfs/dbraw/zinc/08/26/69/374082669.db2.gz MMYDMEZHHSLMSL-UWVGGRQHSA-N 1 0 294.359 1.499 20 5 CDBDRO [NH3+][C@@H](CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000312148798 374278861 /nfs/dbraw/zinc/27/88/61/374278861.db2.gz FSCKPQNCSNFJSX-IRBQFCFKSA-N 1 0 275.308 1.462 20 5 CDBDRO COC[C@H](O)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417308775 374245350 /nfs/dbraw/zinc/24/53/50/374245350.db2.gz ICNXGFRPSZAFEH-UKRRQHHQSA-N 1 0 294.351 1.959 20 5 CDBDRO COC[C@H](O)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417308774 374246248 /nfs/dbraw/zinc/24/62/48/374246248.db2.gz ICNXGFRPSZAFEH-HIFRSBDPSA-N 1 0 294.351 1.959 20 5 CDBDRO Cc1nc(NCC2([NH3+])CCCCC2)ncc1[N+](=O)[O-] ZINC000420142714 374287744 /nfs/dbraw/zinc/28/77/44/374287744.db2.gz IUKKORDMBDCIDP-UHFFFAOYSA-N 1 0 265.317 1.767 20 5 CDBDRO O=C(NCC[NH2+]C1CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000104336042 374284792 /nfs/dbraw/zinc/28/47/92/374284792.db2.gz IPJDNGFUIOKSNV-UHFFFAOYSA-N 1 0 283.715 1.730 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000093873491 374344621 /nfs/dbraw/zinc/34/46/21/374344621.db2.gz DDUMMXFMYQJESV-UHFFFAOYSA-N 1 0 279.340 1.960 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000370002579 374373916 /nfs/dbraw/zinc/37/39/16/374373916.db2.gz QOCFFFBUSUWEEG-LLVKDONJSA-N 1 0 276.296 1.874 20 5 CDBDRO C[C@@H](CN)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423375663 374379499 /nfs/dbraw/zinc/37/94/99/374379499.db2.gz UPIJGKQEYAGNMB-GWCFXTLKSA-N 1 0 263.341 1.853 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]([NH3+])C2CC2)c1 ZINC000423484557 374386418 /nfs/dbraw/zinc/38/64/18/374386418.db2.gz UOYKREOLRCALAC-LBPRGKRZSA-N 1 0 293.323 1.461 20 5 CDBDRO Cc1cc(C(=O)N(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000080393273 374464627 /nfs/dbraw/zinc/46/46/27/374464627.db2.gz NMKWVJKEBDMMEA-UHFFFAOYSA-N 1 0 265.313 1.537 20 5 CDBDRO CCC[N@H+](CC)CCNc1c([N+](=O)[O-])c(C)nn1C ZINC000080677913 374475769 /nfs/dbraw/zinc/47/57/69/374475769.db2.gz APPDYUSNKLICSL-UHFFFAOYSA-N 1 0 269.349 1.781 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@H](C)C[NH3+] ZINC000347208414 374499379 /nfs/dbraw/zinc/49/93/79/374499379.db2.gz NAXLIZUMBIYPIM-SNVBAGLBSA-N 1 0 267.329 1.773 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000424028117 246296821 /nfs/dbraw/zinc/29/68/21/246296821.db2.gz CITVECZSHNVCMC-UHFFFAOYSA-N 1 0 281.312 1.285 20 5 CDBDRO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000351949830 374698239 /nfs/dbraw/zinc/69/82/39/374698239.db2.gz APIKWQQAZHENCO-JQWIXIFHSA-N 1 0 266.297 1.286 20 5 CDBDRO CN(CC(C)(C)C[NH3+])C(=O)c1ccccc1[N+](=O)[O-] ZINC000093873549 374789598 /nfs/dbraw/zinc/78/95/98/374789598.db2.gz XMXXYWHEOIRULK-UHFFFAOYSA-N 1 0 265.313 1.652 20 5 CDBDRO CC[C@H]1CCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000330572380 374865548 /nfs/dbraw/zinc/86/55/48/374865548.db2.gz NHTFQHIVOILPFX-CMPLNLGQSA-N 1 0 252.318 1.960 20 5 CDBDRO CC[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000332205376 375016941 /nfs/dbraw/zinc/01/69/41/375016941.db2.gz FBWXFHCORRUVHP-UHFFFAOYSA-N 1 0 289.339 1.609 20 5 CDBDRO CSC[C@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332688778 375042207 /nfs/dbraw/zinc/04/22/07/375042207.db2.gz GSWCVHKQRVXXGS-CYBMUJFWSA-N 1 0 282.365 1.677 20 5 CDBDRO CS[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000282222472 375073439 /nfs/dbraw/zinc/07/34/39/375073439.db2.gz ODVJLHJWWWGNGX-CHWSQXEVSA-N 1 0 296.396 1.659 20 5 CDBDRO CN1CC[C@@H]([N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000282405269 375083173 /nfs/dbraw/zinc/08/31/73/375083173.db2.gz IDSFJUDSUNFQNQ-CYBMUJFWSA-N 1 0 277.324 1.300 20 5 CDBDRO C[C@H]1COCCN1CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000355074196 375772010 /nfs/dbraw/zinc/77/20/10/375772010.db2.gz BQSZFSHXQIFWHG-NSHDSACASA-N 1 0 293.323 1.045 20 5 CDBDRO C[C@H]([NH2+]C[C@H](C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173306626 378122519 /nfs/dbraw/zinc/12/25/19/378122519.db2.gz GWHUKJYKIJSBCQ-STQMWFEESA-N 1 0 293.367 1.966 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000192078982 378174816 /nfs/dbraw/zinc/17/48/16/378174816.db2.gz NGDNBSLFSCBEHZ-NXEZZACHSA-N 1 0 279.340 1.929 20 5 CDBDRO COc1ccc(OCC[N@H+](C)CC(C)(C)O)c([N+](=O)[O-])c1 ZINC000173756518 379074942 /nfs/dbraw/zinc/07/49/42/379074942.db2.gz OXCXSMNRZNEBRT-UHFFFAOYSA-N 1 0 298.339 1.685 20 5 CDBDRO CC1(C)CCC[N@H+](CCNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000444628200 250156366 /nfs/dbraw/zinc/15/63/66/250156366.db2.gz HDXOEFXCIFYCEW-UHFFFAOYSA-N 1 0 295.343 1.170 20 5 CDBDRO CCC[N@H+](CC)CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000174646451 379547776 /nfs/dbraw/zinc/54/77/76/379547776.db2.gz CBMQOSRXQVXVFW-UHFFFAOYSA-N 1 0 293.367 1.985 20 5 CDBDRO C[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174650978 379548124 /nfs/dbraw/zinc/54/81/24/379548124.db2.gz BIFXOMPCFCOMSN-PWSUYJOCSA-N 1 0 268.317 1.027 20 5 CDBDRO Cc1occc1C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174832697 379588155 /nfs/dbraw/zinc/58/81/55/379588155.db2.gz UVMZNKOGQCHYTR-UHFFFAOYSA-N 1 0 264.285 1.825 20 5 CDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000449626410 250938578 /nfs/dbraw/zinc/93/85/78/250938578.db2.gz POOWGWLGACVUEA-CNGMEFBOSA-N 1 0 289.335 1.841 20 5 CDBDRO Nc1c(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC000449723995 250986554 /nfs/dbraw/zinc/98/65/54/250986554.db2.gz XZXXZVDADFCBIS-VXNVDRBHSA-N 1 0 296.302 1.173 20 5 CDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000288579257 197117956 /nfs/dbraw/zinc/11/79/56/197117956.db2.gz XHSVRKREFDMEPK-VHSXEESVSA-N 1 0 293.327 1.017 20 5 CDBDRO CC[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285815873 390184260 /nfs/dbraw/zinc/18/42/60/390184260.db2.gz WBVIXVKSVAFKKS-UHFFFAOYSA-N 1 0 295.343 1.170 20 5 CDBDRO CC(C)OC[C@@H](CO)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000433156251 390497391 /nfs/dbraw/zinc/49/73/91/390497391.db2.gz IORGERNXTLXMBR-OAHLLOKOSA-N 1 0 296.367 1.855 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H]2CCO)cc1 ZINC000426269966 390469333 /nfs/dbraw/zinc/46/93/33/390469333.db2.gz HAINHUDWBSZUEH-LBPRGKRZSA-N 1 0 280.324 1.820 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC([C@H](C)[NH3+])CC1 ZINC000261798514 390486448 /nfs/dbraw/zinc/48/64/48/390486448.db2.gz RBDWFHXQQXICFQ-VIFPVBQESA-N 1 0 281.360 1.683 20 5 CDBDRO CC(C)([NH2+]C[C@H]1COCCO1)c1ccccc1[N+](=O)[O-] ZINC000451052969 390591534 /nfs/dbraw/zinc/59/15/34/390591534.db2.gz GRTUWJPLJKGVGV-NSHDSACASA-N 1 0 280.324 1.835 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1ccc(F)cc1[N+](=O)[O-] ZINC000135224553 390621660 /nfs/dbraw/zinc/62/16/60/390621660.db2.gz RMJJOXCOHDOBMT-VIFPVBQESA-N 1 0 267.260 1.216 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000338419181 390662706 /nfs/dbraw/zinc/66/27/06/390662706.db2.gz KINZLJFZIAXXQN-UHFFFAOYSA-N 1 0 279.340 1.594 20 5 CDBDRO CCN(CCC[NH+](C)C)c1ncc([N+](=O)[O-])cc1F ZINC000413264712 391189282 /nfs/dbraw/zinc/18/92/82/391189282.db2.gz WUGGQCWJZBWUQI-UHFFFAOYSA-N 1 0 270.308 1.907 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415038796 391248724 /nfs/dbraw/zinc/24/87/24/391248724.db2.gz OMWAEPMPELOHDB-IMRBUKKESA-N 1 0 277.324 1.301 20 5 CDBDRO COc1ccc(NC(=O)N(C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000415428645 391411671 /nfs/dbraw/zinc/41/16/71/391411671.db2.gz AJVYGUFZIOKYSC-UHFFFAOYSA-N 1 0 294.311 1.557 20 5 CDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000292099472 391420198 /nfs/dbraw/zinc/42/01/98/391420198.db2.gz HSYWTQQUHUBTHN-UHFFFAOYSA-N 1 0 280.324 1.820 20 5 CDBDRO COc1ccc(NC(=O)NC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000415453200 391459526 /nfs/dbraw/zinc/45/95/26/391459526.db2.gz YYCJYCUNSAOTCA-JTQLQIEISA-N 1 0 294.311 1.477 20 5 CDBDRO O=C(NC[C@H]1CC[NH2+]C1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415628723 391469766 /nfs/dbraw/zinc/46/97/66/391469766.db2.gz GGFRECKYGOKBMJ-QMMMGPOBSA-N 1 0 282.275 1.465 20 5 CDBDRO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)cc1[N+](=O)[O-] ZINC000189733931 130018553 /nfs/dbraw/zinc/01/85/53/130018553.db2.gz HXMUQALIGKOKHN-ZWNOBZJWSA-N 1 0 280.324 1.806 20 5 CDBDRO COCCC[N@H+](CCO)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000189882863 130035194 /nfs/dbraw/zinc/03/51/94/130035194.db2.gz WVCRGYGSUKARJZ-UHFFFAOYSA-N 1 0 298.339 1.434 20 5 CDBDRO [NH3+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000238025283 391861365 /nfs/dbraw/zinc/86/13/65/391861365.db2.gz LPDVEWCXTVLGHW-NSHDSACASA-N 1 0 283.715 1.715 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261610015 131156322 /nfs/dbraw/zinc/15/63/22/131156322.db2.gz DTXULGAWJUGQPZ-CYZMBNFOSA-N 1 0 289.335 1.713 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261625364 131157536 /nfs/dbraw/zinc/15/75/36/131157536.db2.gz ARLZKZGBKSFEQQ-NWDGAFQWSA-N 1 0 275.308 1.276 20 5 CDBDRO C[NH2+]CCC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000262512942 131228295 /nfs/dbraw/zinc/22/82/95/131228295.db2.gz JVJZMMUSKUMBKK-UHFFFAOYSA-N 1 0 271.704 1.474 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000262777534 131260871 /nfs/dbraw/zinc/26/08/71/131260871.db2.gz LXDIAAWUNLJDOY-MFKMUULPSA-N 1 0 277.324 1.252 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000262840784 131267128 /nfs/dbraw/zinc/26/71/28/131267128.db2.gz RHDYYFRICVLAPC-OIBJUYFYSA-N 1 0 296.302 1.044 20 5 CDBDRO C[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090795119 392521446 /nfs/dbraw/zinc/52/14/46/392521446.db2.gz ZAUYEQCUJISKJM-UWVGGRQHSA-N 1 0 250.302 1.884 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000264920207 131523038 /nfs/dbraw/zinc/52/30/38/131523038.db2.gz PPJMNOVHTURTAQ-JTQLQIEISA-N 1 0 265.313 1.665 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000459751297 392502954 /nfs/dbraw/zinc/50/29/54/392502954.db2.gz IGKSAWBKSTWNDD-NWDGAFQWSA-N 1 0 252.270 1.098 20 5 CDBDRO CC(C)[NH2+]C1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273679769 392751527 /nfs/dbraw/zinc/75/15/27/392751527.db2.gz ZBNZPFKQJUQSJB-UHFFFAOYSA-N 1 0 265.317 1.352 20 5 CDBDRO C[C@@H]1C[C@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000488570207 392697931 /nfs/dbraw/zinc/69/79/31/392697931.db2.gz CYMYJSNRUVTBEG-MNOVXSKESA-N 1 0 298.364 1.614 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CO)[C@@H](C)O ZINC000419794621 392895985 /nfs/dbraw/zinc/89/59/85/392895985.db2.gz HBRMGYHOEQXLID-ONNUJCNVSA-N 1 0 280.324 1.329 20 5 CDBDRO C[NH+](C)C1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000421244176 392931257 /nfs/dbraw/zinc/93/12/57/392931257.db2.gz WHLCVJPQNHEQPS-UHFFFAOYSA-N 1 0 280.328 1.526 20 5 CDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000525803869 392937717 /nfs/dbraw/zinc/93/77/17/392937717.db2.gz VZBIINFQZUBAKX-JTQLQIEISA-N 1 0 295.314 1.806 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000430206822 393093808 /nfs/dbraw/zinc/09/38/08/393093808.db2.gz PNYUQRSIYJSNSP-JOYOIKCWSA-N 1 0 266.297 1.416 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C)C[C@@H]1C ZINC000430242187 393095528 /nfs/dbraw/zinc/09/55/28/393095528.db2.gz RGJCPJZWIDBXFS-NSHDSACASA-N 1 0 279.340 1.739 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCCO)CC2 ZINC000131422274 393037777 /nfs/dbraw/zinc/03/77/77/393037777.db2.gz OEKRGAPPRCYUCI-UHFFFAOYSA-N 1 0 250.298 1.725 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC([NH3+])CC1 ZINC000430669273 393105240 /nfs/dbraw/zinc/10/52/40/393105240.db2.gz SXNPPIRVBNYRIC-UHFFFAOYSA-N 1 0 292.339 1.265 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H](C)C[NH3+] ZINC000430952295 393107516 /nfs/dbraw/zinc/10/75/16/393107516.db2.gz YPCQEKXJFBHLSY-SNVBAGLBSA-N 1 0 280.328 1.121 20 5 CDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C[NH3+])C1 ZINC000430965400 393108108 /nfs/dbraw/zinc/10/81/08/393108108.db2.gz LEUPPNULZNMIDY-WDEREUQCSA-N 1 0 292.339 1.202 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000154697046 393117210 /nfs/dbraw/zinc/11/72/10/393117210.db2.gz DVJQCPGARPIALS-JTQLQIEISA-N 1 0 297.380 1.659 20 5 CDBDRO COC[C@H](CCO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449155804 393131508 /nfs/dbraw/zinc/13/15/08/393131508.db2.gz MGJAHYHRTOYBMZ-AAEUAGOBSA-N 1 0 282.340 1.513 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493752358 393220171 /nfs/dbraw/zinc/22/01/71/393220171.db2.gz KRJBRCBNBSILNT-XQRVVYSFSA-N 1 0 281.287 1.601 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000132256932 393213548 /nfs/dbraw/zinc/21/35/48/393213548.db2.gz QZOUHBRQAWFMQM-MNOVXSKESA-N 1 0 277.324 1.713 20 5 CDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000275762714 135112036 /nfs/dbraw/zinc/11/20/36/135112036.db2.gz FOZDXYGNQNFGHN-NSHDSACASA-N 1 0 294.355 1.271 20 5 CDBDRO C[C@@H]([NH3+])CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132618968 139855756 /nfs/dbraw/zinc/85/57/56/139855756.db2.gz XLQPSSWUMWKRIG-SSDOTTSWSA-N 1 0 255.249 1.201 20 5 CDBDRO CCc1ccc(C(=O)N2CC[C@@H](C[NH2+]C)C2)cc1[N+](=O)[O-] ZINC000179019360 140012243 /nfs/dbraw/zinc/01/22/43/140012243.db2.gz RAKWDYVDEQQNIL-NSHDSACASA-N 1 0 291.351 1.839 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000228393636 140193849 /nfs/dbraw/zinc/19/38/49/140193849.db2.gz IBILSHTXSZGVIH-UHFFFAOYSA-N 1 0 265.313 1.205 20 5 CDBDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856232 140219594 /nfs/dbraw/zinc/21/95/94/140219594.db2.gz QUSANRQXFDVLLQ-ZANVPECISA-N 1 0 279.340 1.893 20 5 CDBDRO C[NH2+]CCCC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856763 140220022 /nfs/dbraw/zinc/22/00/22/140220022.db2.gz BIFWVJFSYJBSNP-UHFFFAOYSA-N 1 0 265.313 1.519 20 5 CDBDRO CO[C@@H](C[NH3+])CC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000232113931 140220769 /nfs/dbraw/zinc/22/07/69/140220769.db2.gz DGWSIZFDLHYVNJ-SECBINFHSA-N 1 0 267.285 1.206 20 5 CDBDRO C[C@@H]1[C@@H]([NH3+])CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000261573824 140352885 /nfs/dbraw/zinc/35/28/85/140352885.db2.gz MMAHBDKNXQJGMJ-PELKAZGASA-N 1 0 253.277 1.655 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000261582604 140356003 /nfs/dbraw/zinc/35/60/03/140356003.db2.gz GRVZMGGSBFZKGL-CABZTGNLSA-N 1 0 263.297 1.465 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261589119 140358229 /nfs/dbraw/zinc/35/82/29/140358229.db2.gz KLGVTVNSVCPSST-VHSXEESVSA-N 1 0 267.304 1.903 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@]1(COC)CCC[NH2+]1 ZINC000261609076 140362628 /nfs/dbraw/zinc/36/26/28/140362628.db2.gz DNQUTRZIHWVWKX-ZDUSSCGKSA-N 1 0 297.359 1.300 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)cc1[N+](=O)[O-] ZINC000261633342 140366803 /nfs/dbraw/zinc/36/68/03/140366803.db2.gz WHMZPPJBJYXEQS-MWLCHTKSSA-N 1 0 263.297 1.465 20 5 CDBDRO COc1ccc(C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261681232 140373921 /nfs/dbraw/zinc/37/39/21/140373921.db2.gz MMSJKAGWLSTUCQ-AWEZNQCLSA-N 1 0 293.323 1.414 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261723275 140379813 /nfs/dbraw/zinc/37/98/13/140379813.db2.gz QJCJKLNNTAVSFO-GDLCADMTSA-N 1 0 291.351 1.773 20 5 CDBDRO [NH3+]C1(c2noc(COc3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000261755076 140385401 /nfs/dbraw/zinc/38/54/01/140385401.db2.gz MBRTWPPFAGYVGH-UHFFFAOYSA-N 1 0 290.279 1.895 20 5 CDBDRO [NH3+]C1(c2noc(CNc3ccccc3[N+](=O)[O-])n2)CCC1 ZINC000261831151 140395705 /nfs/dbraw/zinc/39/57/05/140395705.db2.gz RGTBHNQTGXWQMU-UHFFFAOYSA-N 1 0 289.295 1.928 20 5 CDBDRO C[NH+](C)C/C=C\C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000492144078 397606206 /nfs/dbraw/zinc/60/62/06/397606206.db2.gz YVKXDHRWXIQQSS-ARJAWSKDSA-N 1 0 297.742 1.982 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H]([NH2+]C)C1 ZINC000091557656 146985561 /nfs/dbraw/zinc/98/55/61/146985561.db2.gz SSWRJBJFZUQXBB-JTQLQIEISA-N 1 0 267.333 1.308 20 5 CDBDRO C[S@@](=O)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000116919874 147280240 /nfs/dbraw/zinc/28/02/40/147280240.db2.gz BBBAGWCKZAIPPD-KRWDZBQOSA-N 1 0 256.327 1.453 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181079196 148174379 /nfs/dbraw/zinc/17/43/79/148174379.db2.gz QZVMZGHGKVVUJE-UHFFFAOYSA-N 1 0 280.328 1.247 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342719540 151897859 /nfs/dbraw/zinc/89/78/59/151897859.db2.gz RLUVIPORRYCXBM-AWEZNQCLSA-N 1 0 292.339 1.418 20 5 CDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1O ZINC000352665606 155337135 /nfs/dbraw/zinc/33/71/35/155337135.db2.gz FTWWAAKYSUNIRL-YPMHNXCESA-N 1 0 280.324 1.819 20 5 CDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H]1O ZINC000352700802 155376044 /nfs/dbraw/zinc/37/60/44/155376044.db2.gz UYIZHFVVPWEJRQ-KGLIPLIRSA-N 1 0 264.325 1.983 20 5 CDBDRO C[C@H](CO)[N@@H+]1CCCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000346673667 153267378 /nfs/dbraw/zinc/26/73/78/153267378.db2.gz VMGZFRCWFUMILA-LLVKDONJSA-N 1 0 299.396 1.545 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357076607 157650022 /nfs/dbraw/zinc/65/00/22/157650022.db2.gz KDGBIVXCZPPUON-MNOVXSKESA-N 1 0 279.315 1.775 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C2CC2)[NH+](C)C)c1 ZINC000359292405 158202753 /nfs/dbraw/zinc/20/27/53/158202753.db2.gz OOLGSXOXWRRJMT-AWEZNQCLSA-N 1 0 291.351 1.973 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000020497580 171227368 /nfs/dbraw/zinc/22/73/68/171227368.db2.gz RIRJXZLYFUOMJD-UHFFFAOYSA-N 1 0 293.323 1.138 20 5 CDBDRO CCCNC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035141022 172008272 /nfs/dbraw/zinc/00/82/72/172008272.db2.gz ADBQLOBYOMQBRJ-SNVBAGLBSA-N 1 0 265.313 1.772 20 5 CDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)[NH+](C)C ZINC000038108648 174122362 /nfs/dbraw/zinc/12/23/62/174122362.db2.gz KZJOKXOTBWVSRY-QMMMGPOBSA-N 1 0 269.276 1.414 20 5 CDBDRO O=C(NCC[NH+]1CCCC1)c1csc([N+](=O)[O-])c1 ZINC000044340832 175163841 /nfs/dbraw/zinc/16/38/41/175163841.db2.gz SZHCOUDUSYDYKL-UHFFFAOYSA-N 1 0 269.326 1.482 20 5 CDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cc(F)ccc1[N+](=O)[O-] ZINC000044491969 175181148 /nfs/dbraw/zinc/18/11/48/175181148.db2.gz IGLKWLHIEQRABI-JTQLQIEISA-N 1 0 281.287 1.606 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000044528625 175193182 /nfs/dbraw/zinc/19/31/82/175193182.db2.gz GKQSWJYMNIYQIV-LJLILKBBSA-N 1 0 289.335 1.805 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000044537989 175199952 /nfs/dbraw/zinc/19/99/52/175199952.db2.gz WADNZQOQPWJWCH-SECBINFHSA-N 1 0 291.311 1.885 20 5 CDBDRO CNC(=O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000044994296 175286965 /nfs/dbraw/zinc/28/69/65/175286965.db2.gz XXOPPDQQQIVGLI-UHFFFAOYSA-N 1 0 251.286 1.129 20 5 CDBDRO CCN(c1nccc(C)c1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000070496695 175957317 /nfs/dbraw/zinc/95/73/17/175957317.db2.gz KHEDTUHOVANKCY-NSHDSACASA-N 1 0 264.329 1.877 20 5 CDBDRO CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000071313290 176119710 /nfs/dbraw/zinc/11/97/10/176119710.db2.gz WBUPVESFSNHSRG-LLVKDONJSA-N 1 0 292.339 1.217 20 5 CDBDRO CCN(c1nc2sccn2c1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000071314405 176121350 /nfs/dbraw/zinc/12/13/50/176121350.db2.gz CGWRUJDLULXLDV-QMMMGPOBSA-N 1 0 281.341 1.492 20 5 CDBDRO COCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000268533579 274031247 /nfs/dbraw/zinc/03/12/47/274031247.db2.gz XUXSDEAXNMDZQM-NSHDSACASA-N 1 0 294.355 1.455 20 5 CDBDRO COCC[C@H](CO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000281736960 274040096 /nfs/dbraw/zinc/04/00/96/274040096.db2.gz VFIREWYCSJZRHQ-IUODEOHRSA-N 1 0 294.351 1.959 20 5 CDBDRO COC[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000120398348 274042158 /nfs/dbraw/zinc/04/21/58/274042158.db2.gz FBUJLXPVKJHEFI-GHMZBOCLSA-N 1 0 295.339 1.936 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000261627120 274308733 /nfs/dbraw/zinc/30/87/33/274308733.db2.gz HHPQGESYRCCWNV-VYUIOLGVSA-N 1 0 295.314 1.850 20 5 CDBDRO C[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000261654875 274364965 /nfs/dbraw/zinc/36/49/65/274364965.db2.gz UUMZGPZKJPPTNP-MWLCHTKSSA-N 1 0 272.308 1.926 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1C ZINC000262840761 274632740 /nfs/dbraw/zinc/63/27/40/274632740.db2.gz RFRNKBGSPNCRAA-HTQZYQBOSA-N 1 0 253.258 1.010 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC([NH2+]CCO)CC1 ZINC000225560648 275033304 /nfs/dbraw/zinc/03/33/04/275033304.db2.gz GKVNBNYDJKUJMZ-UHFFFAOYSA-N 1 0 299.758 1.799 20 5 CDBDRO CC(C)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000026712262 275637647 /nfs/dbraw/zinc/63/76/47/275637647.db2.gz VIRASNQGRCLGLH-UHFFFAOYSA-N 1 0 250.302 1.520 20 5 CDBDRO CC(C)c1n[nH]c(C(=O)NC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000269377982 275722584 /nfs/dbraw/zinc/72/25/84/275722584.db2.gz ODIHWAHIESMDOV-QMMMGPOBSA-N 1 0 283.332 1.121 20 5 CDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000359205072 276291028 /nfs/dbraw/zinc/29/10/28/276291028.db2.gz DXYORYRUSQTKBE-ZDUSSCGKSA-N 1 0 277.324 1.809 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000366945502 277280459 /nfs/dbraw/zinc/28/04/59/277280459.db2.gz PLYLZYPCZPEQQM-JQWIXIFHSA-N 1 0 295.314 1.675 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000367375459 277280465 /nfs/dbraw/zinc/28/04/65/277280465.db2.gz SQFZHRZXOVJMKL-RYUDHWBXSA-N 1 0 295.314 1.675 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000127710151 277285220 /nfs/dbraw/zinc/28/52/20/277285220.db2.gz HHAXMOQVKPSZCA-SNVBAGLBSA-N 1 0 281.287 1.558 20 5 CDBDRO CO[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000167197438 277654378 /nfs/dbraw/zinc/65/43/78/277654378.db2.gz WZLPETQLPVHQIY-QWHCGFSZSA-N 1 0 293.323 1.173 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CCC([NH3+])CC2)c1 ZINC000155916953 277937388 /nfs/dbraw/zinc/93/73/88/277937388.db2.gz PEOYDYLTJRWCTN-UHFFFAOYSA-N 1 0 251.286 1.531 20 5 CDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000367791469 278082752 /nfs/dbraw/zinc/08/27/52/278082752.db2.gz JKCVYLFYXGVUDL-NEPJUHHUSA-N 1 0 293.371 1.387 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000261602059 279114384 /nfs/dbraw/zinc/11/43/84/279114384.db2.gz QHDJNZLDQXMFMD-LDYMZIIASA-N 1 0 264.285 1.548 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ncccc1[N+](=O)[O-] ZINC000408068338 288101658 /nfs/dbraw/zinc/10/16/58/288101658.db2.gz TWSBIOMFILGDTR-VHSXEESVSA-N 1 0 250.302 1.519 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000228163758 281013657 /nfs/dbraw/zinc/01/36/57/281013657.db2.gz VQNJSSLAUXJAHK-UWVGGRQHSA-N 1 0 250.302 1.472 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@@H](C)C[NH3+] ZINC000430929191 281017560 /nfs/dbraw/zinc/01/75/60/281017560.db2.gz NTZKXLUXJCYQJC-JTQLQIEISA-N 1 0 280.328 1.121 20 5 CDBDRO NC(=O)c1c[nH+]ccc1NCCc1cccc([N+](=O)[O-])c1 ZINC000545163863 289662562 /nfs/dbraw/zinc/66/25/62/289662562.db2.gz ZCDVKCXOACYFST-UHFFFAOYSA-N 1 0 286.291 1.165 20 5 CDBDRO C[C@@H](CCNC(=O)c1c[nH]nc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000558750148 290423836 /nfs/dbraw/zinc/42/38/36/290423836.db2.gz XTLSZECDOWDABO-JTQLQIEISA-N 1 0 295.343 1.312 20 5 CDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000569262177 294182963 /nfs/dbraw/zinc/18/29/63/294182963.db2.gz ZPOZQUCMIJDDPM-SNVBAGLBSA-N 1 0 295.343 1.122 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000572137843 294566382 /nfs/dbraw/zinc/56/63/82/294566382.db2.gz HFEVBKQDYNQLKO-RYUDHWBXSA-N 1 0 276.340 1.816 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000574688451 295038671 /nfs/dbraw/zinc/03/86/71/295038671.db2.gz QGPPLRFBDRGJJR-OCCSQVGLSA-N 1 0 275.308 1.211 20 5 CDBDRO O=C(N[C@H]1CC[NH2+]C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000574771001 295053004 /nfs/dbraw/zinc/05/30/04/295053004.db2.gz NXAGQXLNPPWHPQ-NSHDSACASA-N 1 0 290.323 1.024 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000087383761 295243500 /nfs/dbraw/zinc/24/35/00/295243500.db2.gz AWUNAXLWSJVYLE-SNVBAGLBSA-N 1 0 283.715 1.715 20 5 CDBDRO Cc1cnc(N[C@@H](CO)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000295732022 302363916 /nfs/dbraw/zinc/36/39/16/302363916.db2.gz WEPAKCZECOVTNM-GFCCVEGCSA-N 1 0 294.355 1.557 20 5 CDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000564230341 316438736 /nfs/dbraw/zinc/43/87/36/316438736.db2.gz QHMLSMJENNIMFK-JTQLQIEISA-N 1 0 295.343 1.122 20 5 CDBDRO CC1(C)C[C@H](NC2C[NH2+]C2)c2cc([N+](=O)[O-])ccc21 ZINC000566087917 316470918 /nfs/dbraw/zinc/47/09/18/316470918.db2.gz DSCBWDAAFHLEHR-ZDUSSCGKSA-N 1 0 261.325 1.879 20 5 CDBDRO CCC[C@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000185850743 323398567 /nfs/dbraw/zinc/39/85/67/323398567.db2.gz YPQGWSQNBPPRQU-JSGCOSHPSA-N 1 0 296.371 1.807 20 5 CDBDRO C[S@@](=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000380202860 323611004 /nfs/dbraw/zinc/61/10/04/323611004.db2.gz HYVVNZYEFRKBNI-LJQANCHMSA-N 1 0 286.328 1.735 20 5 CDBDRO COc1ccc(CC(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000579955526 324326644 /nfs/dbraw/zinc/32/66/44/324326644.db2.gz TYIMMJMTPBHZQS-NXEZZACHSA-N 1 0 295.339 1.388 20 5 CDBDRO NC(=O)c1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168967712 1161996244 /nfs/dbraw/zinc/99/62/44/1161996244.db2.gz SOOKXWJDCYSGEJ-YPMHNXCESA-N 1 0 277.324 1.321 20 5 CDBDRO C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000153872848 534305604 /nfs/dbraw/zinc/30/56/04/534305604.db2.gz GUINPVRCRSYOEV-GHMZBOCLSA-N 1 0 292.339 1.216 20 5 CDBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000157340668 520733740 /nfs/dbraw/zinc/73/37/40/520733740.db2.gz XZMPJASDURQOFV-JTQLQIEISA-N 1 0 294.355 1.637 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000053202004 522494966 /nfs/dbraw/zinc/49/49/66/522494966.db2.gz GBZPPQUVZFIGNJ-NSHDSACASA-N 1 0 277.324 1.727 20 5 CDBDRO CCc1ccc(C(=O)NC[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000236963757 523891844 /nfs/dbraw/zinc/89/18/44/523891844.db2.gz XROGMRSSEVRUED-VIFPVBQESA-N 1 0 265.313 1.482 20 5 CDBDRO CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000055378973 523935322 /nfs/dbraw/zinc/93/53/22/523935322.db2.gz QFXAYAPZPYCFON-UHFFFAOYSA-N 1 0 292.339 1.343 20 5 CDBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000050694672 524046405 /nfs/dbraw/zinc/04/64/05/524046405.db2.gz GXCKXQAEPCCWTD-UHFFFAOYSA-N 1 0 294.355 1.495 20 5 CDBDRO C[C@H](CN1CCCC1=O)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037782720 524325998 /nfs/dbraw/zinc/32/59/98/524325998.db2.gz FSCQNNSUJXEDKB-SECBINFHSA-N 1 0 283.353 1.757 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000236240376 527204738 /nfs/dbraw/zinc/20/47/38/527204738.db2.gz DMMXIXYMYJYNJV-CQSZACIVSA-N 1 0 291.351 1.771 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1CC[NH2+]C1 ZINC000143418787 527335770 /nfs/dbraw/zinc/33/57/70/527335770.db2.gz BYAYCMWBYLISHO-SSDOTTSWSA-N 1 0 256.693 1.665 20 5 CDBDRO COc1cc(C(=O)N[C@H](C[NH3+])C(C)(C)C)ccc1[N+](=O)[O-] ZINC000261595896 536517260 /nfs/dbraw/zinc/51/72/60/536517260.db2.gz IQEIJAFQWNSNAG-GFCCVEGCSA-N 1 0 295.339 1.707 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000262614207 535355473 /nfs/dbraw/zinc/35/54/73/535355473.db2.gz XRFQOSSLTIDHFI-JTQLQIEISA-N 1 0 280.328 1.424 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094342453 536144205 /nfs/dbraw/zinc/14/42/05/536144205.db2.gz XHTMESFHKMQWHK-PSASIEDQSA-N 1 0 267.333 1.293 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000091556756 536144265 /nfs/dbraw/zinc/14/42/65/536144265.db2.gz WVDGXPAKMFJDRJ-KOLCDFICSA-N 1 0 281.360 1.683 20 5 CDBDRO C[NH2+][C@@H](C)Cc1noc(Cc2cccc([N+](=O)[O-])c2)n1 ZINC000261659748 536349928 /nfs/dbraw/zinc/34/99/28/536349928.db2.gz FMBXJNSPAFLPLJ-VIFPVBQESA-N 1 0 276.296 1.719 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000422705920 536373892 /nfs/dbraw/zinc/37/38/92/536373892.db2.gz DAPARPJWQIICMT-LLVKDONJSA-N 1 0 277.324 1.646 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000261593797 536400919 /nfs/dbraw/zinc/40/09/19/536400919.db2.gz ZIJOPPGAOJCMOZ-SSDOTTSWSA-N 1 0 255.249 1.072 20 5 CDBDRO COC(=O)c1cc(NC(=O)C(C)(C)[NH3+])cc([N+](=O)[O-])c1 ZINC000237141893 536527918 /nfs/dbraw/zinc/52/79/18/536527918.db2.gz VDMRGFFCCKSRQZ-UHFFFAOYSA-N 1 0 281.268 1.057 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000735491397 575473605 /nfs/dbraw/zinc/47/36/05/575473605.db2.gz KCNPHJTWKNFUFA-QWRGUYRKSA-N 1 0 281.743 1.899 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](CO)C2CC2)c1 ZINC000763073996 576709799 /nfs/dbraw/zinc/70/97/99/576709799.db2.gz WTUAJAJOXQHVDK-ZDUSSCGKSA-N 1 0 266.297 1.334 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCn2cccn2)c1 ZINC000749670252 576956854 /nfs/dbraw/zinc/95/68/54/576956854.db2.gz JYXASUIELSWHRF-CQSZACIVSA-N 1 0 290.323 1.505 20 5 CDBDRO Cc1ccc(CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1[N+](=O)[O-] ZINC000892536540 617485531 /nfs/dbraw/zinc/48/55/31/617485531.db2.gz HCDYJKMFMBKXPS-RYUDHWBXSA-N 1 0 290.323 1.159 20 5 CDBDRO C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925640751 617584371 /nfs/dbraw/zinc/58/43/71/617584371.db2.gz IZHGLECCDFBRRC-WCQYABFASA-N 1 0 291.351 1.784 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@H]3CO)co2)cc1 ZINC000934018733 617858129 /nfs/dbraw/zinc/85/81/29/617858129.db2.gz XTBGUGZCADQMFJ-ZDUSSCGKSA-N 1 0 289.291 1.816 20 5 CDBDRO CC[N@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2OC)C1 ZINC000892730383 617673464 /nfs/dbraw/zinc/67/34/64/617673464.db2.gz HZPQUDOXUNTNOE-LLVKDONJSA-N 1 0 294.355 1.776 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@]1([NH+](C)C)CCSC1 ZINC000892795533 617762333 /nfs/dbraw/zinc/76/23/33/617762333.db2.gz CCUAPXYRYHIRCQ-NSHDSACASA-N 1 0 285.373 1.178 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@@]2(C)CCCOC2)c1[N+](=O)[O-] ZINC000893392497 617784997 /nfs/dbraw/zinc/78/49/97/617784997.db2.gz JAHOVLYOIJEBIR-AWEZNQCLSA-N 1 0 296.323 1.968 20 5 CDBDRO CC[C@@]1(O)CC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000893719317 617970995 /nfs/dbraw/zinc/97/09/95/617970995.db2.gz LGLSTNUOMDGQHK-CQSZACIVSA-N 1 0 296.323 1.656 20 5 CDBDRO C[C@H](C[N+](=O)[O-])OC(=O)C12CCC[NH+](CCC1)C2 ZINC000893077710 618134654 /nfs/dbraw/zinc/13/46/54/618134654.db2.gz SUUPQDKGRLGLOS-SNVBAGLBSA-N 1 0 256.302 1.071 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@H]1CC[NH2+]C1 ZINC000841103610 618397706 /nfs/dbraw/zinc/39/77/06/618397706.db2.gz QPMSQHBGBUORAC-QMMMGPOBSA-N 1 0 284.703 1.732 20 5 CDBDRO COCC1([NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])CCC1 ZINC000894305429 618554929 /nfs/dbraw/zinc/55/49/29/618554929.db2.gz MGJSZAVQIYUKHS-UHFFFAOYSA-N 1 0 296.323 1.968 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000894357643 618818058 /nfs/dbraw/zinc/81/80/58/618818058.db2.gz YLRVPILOCCLCII-VHSXEESVSA-N 1 0 267.333 1.469 20 5 CDBDRO CCC[C@@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)CC[NH2+]1 ZINC000895058170 619242792 /nfs/dbraw/zinc/24/27/92/619242792.db2.gz ITKBMTJYTNDKRB-LLVKDONJSA-N 1 0 297.330 1.805 20 5 CDBDRO COc1c(O)ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1[N+](=O)[O-] ZINC000895928662 619907288 /nfs/dbraw/zinc/90/72/88/619907288.db2.gz ZKLVCVJJUCKMIY-PHIMTYICSA-N 1 0 294.307 1.387 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC([NH+]3CCCC3)C2)c1 ZINC000898609427 621817564 /nfs/dbraw/zinc/81/75/64/621817564.db2.gz XXYIWRSZDOLHCS-UHFFFAOYSA-N 1 0 289.335 1.823 20 5 CDBDRO CCOc1ccc(CC[NH2+]CC[N+](=O)[O-])cc1OCC ZINC000899860803 622487255 /nfs/dbraw/zinc/48/72/55/622487255.db2.gz UNRIUMGYSKZZFW-UHFFFAOYSA-N 1 0 282.340 1.893 20 5 CDBDRO O=[N+]([O-])c1cccc(OCCN2CCC[C@]23CC[NH2+]C3)c1 ZINC000903865898 626112612 /nfs/dbraw/zinc/11/26/12/626112612.db2.gz SMRQBNORKCWSBD-OAHLLOKOSA-N 1 0 291.351 1.802 20 5 CDBDRO NOCCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000904456896 626301239 /nfs/dbraw/zinc/30/12/39/626301239.db2.gz MPLAILXJDSGSHU-ZZXKWVIFSA-N 1 0 251.286 1.478 20 5 CDBDRO Cc1c(Cl)cccc1NC(=O)CC[NH2+]CC[N+](=O)[O-] ZINC000905083314 626601476 /nfs/dbraw/zinc/60/14/76/626601476.db2.gz VSLCIXFMXOFGCP-UHFFFAOYSA-N 1 0 285.731 1.843 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]CC[N+](=O)[O-])cc1OC ZINC000905094143 626636004 /nfs/dbraw/zinc/63/60/04/626636004.db2.gz DEKZZSFAPCKDDG-JTQLQIEISA-N 1 0 268.313 1.501 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000905186805 626667589 /nfs/dbraw/zinc/66/75/89/626667589.db2.gz CYMQONOUEMLJBT-UHFFFAOYSA-N 1 0 279.218 1.346 20 5 CDBDRO COc1ccc(C[C@@H](C)C[NH2+]CC[N+](=O)[O-])cc1OC ZINC000905187483 626667620 /nfs/dbraw/zinc/66/76/20/626667620.db2.gz CMASVXNBCRNNEW-LLVKDONJSA-N 1 0 282.340 1.749 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000905189271 626667876 /nfs/dbraw/zinc/66/78/76/626667876.db2.gz HILVHARQYBUKNI-SECBINFHSA-N 1 0 287.722 1.924 20 5 CDBDRO C[C@@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000905235605 626717074 /nfs/dbraw/zinc/71/70/74/626717074.db2.gz BVWZJJOZQDDEII-MNOVXSKESA-N 1 0 287.360 1.641 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C/C=C\Cl)c1 ZINC000905708725 626935506 /nfs/dbraw/zinc/93/55/06/626935506.db2.gz SJKYZTCUZJJJDN-SRMRHOMVSA-N 1 0 256.689 1.970 20 5 CDBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cnnn1C ZINC000925383367 630708345 /nfs/dbraw/zinc/70/83/45/630708345.db2.gz SJMUASKWJMQQQK-JTQLQIEISA-N 1 0 291.311 1.453 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]CC(C)(C)O)c([N+](=O)[O-])c1 ZINC001170299245 1162328499 /nfs/dbraw/zinc/32/84/99/1162328499.db2.gz TXRZSVKKWHDZTR-JTQLQIEISA-N 1 0 282.340 1.895 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]C(C)(C)CO)c([N+](=O)[O-])c1 ZINC001170291030 1162334130 /nfs/dbraw/zinc/33/41/30/1162334130.db2.gz GKEYPWJMXKMRQD-SNVBAGLBSA-N 1 0 282.340 1.895 20 5 CDBDRO COC(=O)c1cnc(N2CCC[C@H]([NH3+])[C@H]2C)c([N+](=O)[O-])c1 ZINC001157742441 1162378911 /nfs/dbraw/zinc/37/89/11/1162378911.db2.gz QANVYFGJLDUBPC-SCZZXKLOSA-N 1 0 294.311 1.092 20 5 CDBDRO [NH3+]C[C@]1(F)CCN(c2cnc3cc([N+](=O)[O-])ccc3n2)C1 ZINC001157813649 1162444526 /nfs/dbraw/zinc/44/45/26/1162444526.db2.gz TUFNQMFVXFHSSS-CYBMUJFWSA-N 1 0 291.286 1.415 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H](C)[NH2+][C@H](C)C2)n1 ZINC001158175685 1162754751 /nfs/dbraw/zinc/75/47/51/1162754751.db2.gz HTXHWDQNPLZYLE-RNFRBKRXSA-N 1 0 285.735 1.533 20 5 CDBDRO COc1cc(C)nc(N2C[C@H](C)[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC001158176607 1162756883 /nfs/dbraw/zinc/75/68/83/1162756883.db2.gz NBPNGRCKXLRHBN-UWVGGRQHSA-N 1 0 280.328 1.493 20 5 CDBDRO COc1cc(-n2ccc([C@H](C)[NH3+])n2)ncc1[N+](=O)[O-] ZINC001158348885 1162899655 /nfs/dbraw/zinc/89/96/55/1162899655.db2.gz MLEJAPBPXZURFL-ZETCQYMHSA-N 1 0 263.257 1.204 20 5 CDBDRO COc1cc([N+](=O)[O-])c(N[C@H](C)[C@@H]2C[NH2+]CCO2)cc1F ZINC001170567740 1162950117 /nfs/dbraw/zinc/95/01/17/1162950117.db2.gz LPNDZSIWTWLADF-OQPBUACISA-N 1 0 299.302 1.531 20 5 CDBDRO C[C@H](Nc1cc(F)cc(F)c1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001170571141 1162959478 /nfs/dbraw/zinc/95/94/78/1162959478.db2.gz YISUGMAWEQKAQN-WRWORJQWSA-N 1 0 287.266 1.662 20 5 CDBDRO COc1c(F)cc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC001170570204 1162955904 /nfs/dbraw/zinc/95/59/04/1162955904.db2.gz UMXUWYCWOWNUKF-UFBFGSQYSA-N 1 0 299.302 1.531 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000874122424 1165608659 /nfs/dbraw/zinc/60/86/59/1165608659.db2.gz ACDREVPCMDANRA-LBPRGKRZSA-N 1 0 291.351 1.893 20 5 CDBDRO Cc1ccnc(NCC[C@H]2CCOC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001155472120 1167187153 /nfs/dbraw/zinc/18/71/53/1167187153.db2.gz YHBGJPTYVAOFJE-NSHDSACASA-N 1 0 292.339 1.479 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC001155586015 1167242696 /nfs/dbraw/zinc/24/26/96/1167242696.db2.gz HVEHDKIONFARHJ-JEZHCXPESA-N 1 0 298.730 1.292 20 5 CDBDRO [NH3+][C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001580422703 1172429751 /nfs/dbraw/zinc/42/97/51/1172429751.db2.gz CNNQQROGWKRXJZ-DTORHVGOSA-N 1 0 255.705 1.828 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1nc(Cl)ncc1[N+](=O)[O-] ZINC000235122703 1178231957 /nfs/dbraw/zinc/23/19/57/1178231957.db2.gz ATPGTRSDKNTWAB-LURJTMIESA-N 1 0 259.697 1.400 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000401308550 1186410167 /nfs/dbraw/zinc/41/01/67/1186410167.db2.gz UMXYIJUXMPRIFD-UTLUCORTSA-N 1 0 280.328 1.144 20 5 CDBDRO COC[C@@]1(C)CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000840108778 739232868 /nfs/dbraw/zinc/23/28/68/739232868.db2.gz SAAFVICYWMLTMW-NSHDSACASA-N 1 0 254.290 1.107 20 5 CDBDRO C[C@@H]1CCCN(Cc2cccnc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000886830791 739473489 /nfs/dbraw/zinc/47/34/89/739473489.db2.gz XJILXMIPQSGYMK-PWSUYJOCSA-N 1 0 264.329 1.549 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776583002 739622416 /nfs/dbraw/zinc/62/24/16/739622416.db2.gz YICZTZLTXMAAET-LSDHHAIUSA-N 1 0 293.367 1.654 20 5 CDBDRO CC[C@H](CO)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929985569 739751386 /nfs/dbraw/zinc/75/13/86/739751386.db2.gz CAAGVDWZXOTJPA-WDEREUQCSA-N 1 0 280.328 1.247 20 5 CDBDRO Cc1c(C[NH2+]C[C@]2(C)CCC(=O)N2)cccc1[N+](=O)[O-] ZINC000873131546 739805187 /nfs/dbraw/zinc/80/51/87/739805187.db2.gz VNZBVVVKKAUSNE-AWEZNQCLSA-N 1 0 277.324 1.662 20 5 CDBDRO Cc1c(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000923518664 739890306 /nfs/dbraw/zinc/89/03/06/739890306.db2.gz LUVBXTRIBJGNQB-UONOGXRCSA-N 1 0 275.352 1.945 20 5 CDBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000235444492 740310859 /nfs/dbraw/zinc/31/08/59/740310859.db2.gz VYVBPFWSVBPVKF-ZLKJLUDKSA-N 1 0 280.324 1.785 20 5 CDBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1)C1CCC([NH3+])CC1 ZINC000091845429 740354235 /nfs/dbraw/zinc/35/42/35/740354235.db2.gz IXRNPVYPATYEOX-UHFFFAOYSA-N 1 0 277.324 1.937 20 5 CDBDRO O=C(Cc1ncc[nH]1)NCCc1cccc([N+](=O)[O-])c1 ZINC000816955998 740646077 /nfs/dbraw/zinc/64/60/77/740646077.db2.gz SXFLTRKSWXJIQV-UHFFFAOYSA-N 1 0 274.280 1.219 20 5 CDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000881952819 740689773 /nfs/dbraw/zinc/68/97/73/740689773.db2.gz QZGGMNYYHBEXLY-SNVBAGLBSA-N 1 0 297.334 1.177 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH2+]C1CC1 ZINC000843513586 740827292 /nfs/dbraw/zinc/82/72/92/740827292.db2.gz IVWWACNCOFFXKO-UHFFFAOYSA-N 1 0 278.312 1.049 20 5 CDBDRO C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000887398844 740848905 /nfs/dbraw/zinc/84/89/05/740848905.db2.gz ILRZKRNKTYLOJA-RISCZKNCSA-N 1 0 291.351 1.909 20 5 CDBDRO C[NH+](C)CCCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839716996 740873143 /nfs/dbraw/zinc/87/31/43/740873143.db2.gz FILBVAMLMSLUFB-CHWSQXEVSA-N 1 0 283.372 1.232 20 5 CDBDRO O=[N+]([O-])c1c(F)nccc1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000881868883 740900781 /nfs/dbraw/zinc/90/07/81/740900781.db2.gz QVOYCANKLZYCOV-ZJUUUORDSA-N 1 0 296.302 1.404 20 5 CDBDRO C[C@H](O)[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930635842 740910806 /nfs/dbraw/zinc/91/08/06/740910806.db2.gz AKILRWAUEKROHG-LNSITVRQSA-N 1 0 294.351 1.516 20 5 CDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](C)([NH3+])C1 ZINC000868073876 740945797 /nfs/dbraw/zinc/94/57/97/740945797.db2.gz SKCJGJBRJXDGJL-CQSZACIVSA-N 1 0 292.339 1.224 20 5 CDBDRO O=C(NC1CCCC1)OC[C@H]1CCCCN1CC[N+](=O)[O-] ZINC000930508909 741053592 /nfs/dbraw/zinc/05/35/92/741053592.db2.gz FGGJNBWNKYOXCR-CYBMUJFWSA-N 1 0 299.371 1.786 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000839728619 741116709 /nfs/dbraw/zinc/11/67/09/741116709.db2.gz QKTGCFCKDUVEQL-IGHBBLSQSA-N 1 0 291.351 1.459 20 5 CDBDRO CC[NH+](CC)CCCn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829837988 741345225 /nfs/dbraw/zinc/34/52/25/741345225.db2.gz PPCBHJRPEPIIJR-UHFFFAOYSA-N 1 0 271.277 1.431 20 5 CDBDRO COc1cc(N(C)CC[NH+](C)C)c([N+](=O)[O-])cc1C ZINC000853398595 741348056 /nfs/dbraw/zinc/34/80/56/741348056.db2.gz IWGRZUHYVCHYFU-UHFFFAOYSA-N 1 0 267.329 1.910 20 5 CDBDRO CC(C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001021844594 741379573 /nfs/dbraw/zinc/37/95/73/741379573.db2.gz CKFQATUXEAIEIL-BETUJISGSA-N 1 0 291.351 1.988 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCCC[C@H]2O)c1 ZINC000843074274 741402317 /nfs/dbraw/zinc/40/23/17/741402317.db2.gz YOIASEQCIOPWGN-MCIONIFRSA-N 1 0 280.324 1.521 20 5 CDBDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886202762 741519907 /nfs/dbraw/zinc/51/99/07/741519907.db2.gz DOYJVOUKCZAKRJ-WPRPVWTQSA-N 1 0 253.327 1.831 20 5 CDBDRO CC(C)[C@H](CO)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843081103 741868729 /nfs/dbraw/zinc/86/87/29/741868729.db2.gz PCVDBRYNLBEVHF-JSGCOSHPSA-N 1 0 282.340 1.482 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000923381981 741870803 /nfs/dbraw/zinc/87/08/03/741870803.db2.gz WQDXNWRXOOONGE-LSDHHAIUSA-N 1 0 291.351 1.456 20 5 CDBDRO CCN(CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000886854345 742380431 /nfs/dbraw/zinc/38/04/31/742380431.db2.gz KRQSRTSRNXIMQI-CYBMUJFWSA-N 1 0 279.340 1.657 20 5 CDBDRO CC[NH2+]CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000841037666 739272338 /nfs/dbraw/zinc/27/23/38/739272338.db2.gz RPDQBYOSGMDSDF-UHFFFAOYSA-N 1 0 257.721 1.947 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](CO)CC(F)F)cc1 ZINC000717834702 739323796 /nfs/dbraw/zinc/32/37/96/739323796.db2.gz JLPFFEIHWLHWHJ-ONGXEEELSA-N 1 0 290.266 1.234 20 5 CDBDRO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000852702884 739398364 /nfs/dbraw/zinc/39/83/64/739398364.db2.gz KHXFAXXLPSCICN-UGFHNGPFSA-N 1 0 294.351 1.579 20 5 CDBDRO CC(C)C[C@@H](CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843060300 739413399 /nfs/dbraw/zinc/41/33/99/739413399.db2.gz TUVPGOHBLYGLTM-GXTWGEPZSA-N 1 0 282.340 1.625 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000883223553 739448178 /nfs/dbraw/zinc/44/81/78/739448178.db2.gz RJBPQHAVPSLFBK-CYBMUJFWSA-N 1 0 292.339 1.488 20 5 CDBDRO CC(C)(Cn1cc([C@H]([NH3+])c2ccccc2)nn1)[N+](=O)[O-] ZINC000864642289 739510332 /nfs/dbraw/zinc/51/03/32/739510332.db2.gz LWXTXLKOOCPDOO-GFCCVEGCSA-N 1 0 275.312 1.382 20 5 CDBDRO C[C@@H](CN(C)C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819308565 739549145 /nfs/dbraw/zinc/54/91/45/739549145.db2.gz AYSDDDNCHZBCRA-GXFFZTMASA-N 1 0 267.329 1.168 20 5 CDBDRO C[NH+](C)CC[C@@H](N)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000844917339 739576785 /nfs/dbraw/zinc/57/67/85/739576785.db2.gz ROHNSPMRKRPRCU-SSDOTTSWSA-N 1 0 297.340 1.658 20 5 CDBDRO COc1ccc(C[NH2+]C[C@H]2COC(C)(C)O2)cc1[N+](=O)[O-] ZINC000892715554 739590039 /nfs/dbraw/zinc/59/00/39/739590039.db2.gz YXPMPEVJEHJIGH-NSHDSACASA-N 1 0 296.323 1.845 20 5 CDBDRO Cc1cc(N2CC[C@H]([C@@H](C)[NH3+])C2)ncc1[N+](=O)[O-] ZINC000127258470 739668098 /nfs/dbraw/zinc/66/80/98/739668098.db2.gz UCALGXHFANNVCW-ZJUUUORDSA-N 1 0 250.302 1.472 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(C[C@H](C)[NH3+])n1 ZINC000843187351 739804617 /nfs/dbraw/zinc/80/46/17/739804617.db2.gz NZQGNBJOIHFDJD-QMMMGPOBSA-N 1 0 262.269 1.843 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]2C1 ZINC000793959820 739798474 /nfs/dbraw/zinc/79/84/74/739798474.db2.gz YCLPMCVNUJYZLW-ZJUUUORDSA-N 1 0 279.296 1.212 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)n1 ZINC000886830304 739819456 /nfs/dbraw/zinc/81/94/56/739819456.db2.gz OQMGBGOBAWQPBL-NWDGAFQWSA-N 1 0 280.328 1.292 20 5 CDBDRO COC(=O)C[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000878412893 739899637 /nfs/dbraw/zinc/89/96/37/739899637.db2.gz AYZATCPVNWDEOC-NSHDSACASA-N 1 0 296.327 1.031 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@](C)([NH3+])C1 ZINC000868079759 740072863 /nfs/dbraw/zinc/07/28/63/740072863.db2.gz ICMDQIRMYRDFKI-CQSZACIVSA-N 1 0 277.324 1.775 20 5 CDBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@H](C)O ZINC000834889612 740079973 /nfs/dbraw/zinc/07/99/73/740079973.db2.gz YFNKPKKSNOECKQ-AUTRQRHGSA-N 1 0 267.329 1.987 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000818014218 740184667 /nfs/dbraw/zinc/18/46/67/740184667.db2.gz PTEDTATUVGNCFL-UHFFFAOYSA-N 1 0 280.328 1.167 20 5 CDBDRO CC[N@H+](CCNC(=O)CCC(C)(C)[N+](=O)[O-])C(C)C ZINC000823316060 740293358 /nfs/dbraw/zinc/29/33/58/740293358.db2.gz WOEQANHEDUOSBR-UHFFFAOYSA-N 1 0 273.377 1.668 20 5 CDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3CC[NH2+][C@H]3C)n2)n1C ZINC000823093980 740473085 /nfs/dbraw/zinc/47/30/85/740473085.db2.gz LUUYBFJJKMAWIJ-XPUUQOCRSA-N 1 0 292.299 1.152 20 5 CDBDRO [NH3+][C@@H](Cc1nc(Cc2ccccc2[N+](=O)[O-])no1)C1CC1 ZINC000843171205 740546606 /nfs/dbraw/zinc/54/66/06/740546606.db2.gz UYEFZGXFGHDIEH-NSHDSACASA-N 1 0 288.307 1.848 20 5 CDBDRO CN(C)C1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819250745 740596218 /nfs/dbraw/zinc/59/62/18/740596218.db2.gz CDFPROCRIDNLQD-CQSZACIVSA-N 1 0 293.367 1.702 20 5 CDBDRO CCCCN(C)CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819057186 740612102 /nfs/dbraw/zinc/61/21/02/740612102.db2.gz TZUUKLKQJTZOFP-OAHLLOKOSA-N 1 0 295.383 1.950 20 5 CDBDRO Nc1ccc(-c2noc(C[C@H]([NH3+])C3CC3)n2)cc1[N+](=O)[O-] ZINC000843169855 740715509 /nfs/dbraw/zinc/71/55/09/740715509.db2.gz UXEASUWQRSBAQM-JTQLQIEISA-N 1 0 289.295 1.507 20 5 CDBDRO CC1(C)CC[NH2+]CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000872295202 740717122 /nfs/dbraw/zinc/71/71/22/740717122.db2.gz PWOFDAMLZSAKDX-UHFFFAOYSA-N 1 0 295.314 1.948 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000089091522 740757775 /nfs/dbraw/zinc/75/77/75/740757775.db2.gz AVQCJQVNADHARK-BXKDBHETSA-N 1 0 278.312 1.844 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]([NH3+])C(C)C)c1C ZINC000884034616 740804235 /nfs/dbraw/zinc/80/42/35/740804235.db2.gz IHFZFLFMJNKRNC-LLVKDONJSA-N 1 0 279.340 1.925 20 5 CDBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@@H](C)O ZINC000834889616 740809938 /nfs/dbraw/zinc/80/99/38/740809938.db2.gz YFNKPKKSNOECKQ-SBMIAAHKSA-N 1 0 267.329 1.987 20 5 CDBDRO CSC[C@@H](C)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867949930 740895556 /nfs/dbraw/zinc/89/55/56/740895556.db2.gz LUYYGYACGARHPI-RNCFNFMXSA-N 1 0 297.380 1.636 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC(=O)N(C)C ZINC000866251180 741061797 /nfs/dbraw/zinc/06/17/97/741061797.db2.gz JRJOLBBFEPQJBA-SNVBAGLBSA-N 1 0 297.330 1.733 20 5 CDBDRO O=[N+]([O-])c1c(F)nccc1NCCCC[NH+]1CCOCC1 ZINC000881811193 741360571 /nfs/dbraw/zinc/36/05/71/741360571.db2.gz NFEIPYBFIKIJNL-UHFFFAOYSA-N 1 0 298.318 1.653 20 5 CDBDRO CNC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000171961513 741399817 /nfs/dbraw/zinc/39/98/17/741399817.db2.gz KQBHFSQHSNIEPM-JTQLQIEISA-N 1 0 295.314 1.692 20 5 CDBDRO CO[C@H](C[NH3+])CC(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000843495460 741401491 /nfs/dbraw/zinc/40/14/91/741401491.db2.gz RVNRBIDIWBVCKE-NSHDSACASA-N 1 0 293.323 1.156 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515818 741464765 /nfs/dbraw/zinc/46/47/65/741464765.db2.gz NJUSOOKPBWTEOP-WCQYABFASA-N 1 0 291.351 1.645 20 5 CDBDRO C[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000886829791 741696759 /nfs/dbraw/zinc/69/67/59/741696759.db2.gz HEKWEOAUJNWJAS-GXSJLCMTSA-N 1 0 250.302 1.159 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000168722787 741748638 /nfs/dbraw/zinc/74/86/38/741748638.db2.gz UHTHZQAAZWRDLI-DTWKUNHWSA-N 1 0 281.287 1.543 20 5 CDBDRO CO[C@@H](C)C[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796641734 741783143 /nfs/dbraw/zinc/78/31/43/741783143.db2.gz WFMOGVMOZCJAKQ-GWCFXTLKSA-N 1 0 268.313 1.595 20 5 CDBDRO CCN1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000722358700 741862977 /nfs/dbraw/zinc/86/29/77/741862977.db2.gz DYUFUQBIOWEVKH-CYBMUJFWSA-N 1 0 277.324 1.695 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCOC(F)F)c1 ZINC000819294842 742039719 /nfs/dbraw/zinc/03/97/19/742039719.db2.gz JVZGFGOTDGEUPX-LLVKDONJSA-N 1 0 290.266 1.847 20 5 CDBDRO Cc1nc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000132500521 742078873 /nfs/dbraw/zinc/07/88/73/742078873.db2.gz UHWHCUWLRXHZNA-MNOVXSKESA-N 1 0 262.313 1.629 20 5 CDBDRO CCCc1[nH]nc(C(=O)OCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000792277650 742263543 /nfs/dbraw/zinc/26/35/43/742263543.db2.gz CAWWLVKEVUKPGM-UHFFFAOYSA-N 1 0 284.316 1.379 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1C[NH2+]CCCO1 ZINC000841085989 742263738 /nfs/dbraw/zinc/26/37/38/742263738.db2.gz KHFMWFYMQGMMJZ-LBPRGKRZSA-N 1 0 299.758 1.716 20 5 CDBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N)C1CCC([NH3+])CC1 ZINC000843354791 742304176 /nfs/dbraw/zinc/30/41/76/742304176.db2.gz OANWYNDKAHHSIO-UHFFFAOYSA-N 1 0 292.339 1.519 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000882477091 742370444 /nfs/dbraw/zinc/37/04/44/742370444.db2.gz FTMYZYMTAYRTNN-LBPRGKRZSA-N 1 0 277.324 1.727 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]1C[NH3+] ZINC000261575569 742495326 /nfs/dbraw/zinc/49/53/26/742495326.db2.gz NFXSNCXXTFZKEL-SECBINFHSA-N 1 0 253.306 1.047 20 5 CDBDRO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1 ZINC000842615309 742595102 /nfs/dbraw/zinc/59/51/02/742595102.db2.gz LMQLQJWZPQLWGQ-DGCLKSJQSA-N 1 0 280.328 1.640 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]CC2)c1C ZINC000884007975 742636419 /nfs/dbraw/zinc/63/64/19/742636419.db2.gz XKNKNBJNGQGADA-UHFFFAOYSA-N 1 0 263.297 1.257 20 5 CDBDRO C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815578305 742829927 /nfs/dbraw/zinc/82/99/27/742829927.db2.gz LTAFJSBKXYYPRK-YMTOWFKASA-N 1 0 279.340 1.989 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCO1 ZINC001173215647 912296773 /nfs/dbraw/zinc/29/67/73/912296773.db2.gz XQYITOQRFZRAHU-MFKMUULPSA-N 1 0 250.298 1.904 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(C)C1=O ZINC001173215532 912299343 /nfs/dbraw/zinc/29/93/43/912299343.db2.gz WNOXDJBRHKBDCS-GXFFZTMASA-N 1 0 277.324 1.346 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(F)COC1 ZINC001173219250 912301252 /nfs/dbraw/zinc/30/12/52/912301252.db2.gz ZXVXOSGMOMTNPS-SNVBAGLBSA-N 1 0 268.288 1.854 20 5 CDBDRO CCNC(=O)C[N@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173228994 912322109 /nfs/dbraw/zinc/32/21/09/912322109.db2.gz PHOFOVDAERGIOS-NSHDSACASA-N 1 0 279.340 1.594 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)CO ZINC001173213497 912336752 /nfs/dbraw/zinc/33/67/52/912336752.db2.gz FOKXFYIRDGRZGS-SNVBAGLBSA-N 1 0 252.314 1.886 20 5 CDBDRO COC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)cc1OC ZINC001234098788 913245424 /nfs/dbraw/zinc/24/54/24/913245424.db2.gz UJELRANUZCAXLH-NSHDSACASA-N 1 0 282.360 1.955 20 5 CDBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H](O)C1CC1 ZINC000690250488 913877240 /nfs/dbraw/zinc/87/72/40/913877240.db2.gz ULGLOIQNACNCKG-ZDUSSCGKSA-N 1 0 268.288 1.937 20 5 CDBDRO C[N@@H+]1CC[C@H](Nc2cc([N+](=O)[O-])c3nccn3c2)C1 ZINC001167278170 895022372 /nfs/dbraw/zinc/02/23/72/895022372.db2.gz AQWCWFBNPGXDRP-VIFPVBQESA-N 1 0 261.285 1.359 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001226752286 905571112 /nfs/dbraw/zinc/57/11/12/905571112.db2.gz ABEFHXDCEGMRTM-LLVKDONJSA-N 1 0 267.260 1.602 20 5 CDBDRO O=C(NCC[NH2+]CCCC1CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936287 909929217 /nfs/dbraw/zinc/92/92/17/909929217.db2.gz FDERVUNGXUKKIO-CHWSQXEVSA-N 1 0 283.372 1.328 20 5 CDBDRO CC[C@@]([NH3+])(CO)N[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904302 912037543 /nfs/dbraw/zinc/03/75/43/912037543.db2.gz WURFJKGUFHUHFN-HIFRSBDPSA-N 1 0 293.367 1.489 20 5 CDBDRO C[C@H](O)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896368 912050302 /nfs/dbraw/zinc/05/03/02/912050302.db2.gz OQNVNJOFPBQBBV-GXFFZTMASA-N 1 0 264.325 1.813 20 5 CDBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccn(C)n1 ZINC000839195661 936908616 /nfs/dbraw/zinc/90/86/16/936908616.db2.gz DMXJNWDTFOBUDY-IINYFYTJSA-N 1 0 290.323 1.713 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(-n2cnc(C[NH3+])c2)nc1Cl ZINC001154906143 926016182 /nfs/dbraw/zinc/01/61/82/926016182.db2.gz CEYKCFQOEMLJCY-UHFFFAOYSA-N 1 0 267.676 1.596 20 5 CDBDRO COc1nc(N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001154979259 926275410 /nfs/dbraw/zinc/27/54/10/926275410.db2.gz XRROBDWYEYKFFO-RKDXNWHRSA-N 1 0 266.301 1.680 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC001154986038 926309792 /nfs/dbraw/zinc/30/97/92/926309792.db2.gz QJOXXWOCUAYRLH-BDAKNGLRSA-N 1 0 251.290 1.375 20 5 CDBDRO COc1cnc(-n2cc3c(n2)CC[C@H]([NH3+])C3)cc1[N+](=O)[O-] ZINC001168813829 927470099 /nfs/dbraw/zinc/47/00/99/927470099.db2.gz ZNBORWXHSPGIGW-VIFPVBQESA-N 1 0 289.295 1.000 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2cn3ccccc3n2)C1 ZINC001168976706 927562486 /nfs/dbraw/zinc/56/24/86/927562486.db2.gz FNCBVSZNNRMEGI-QWHCGFSZSA-N 1 0 288.351 1.912 20 5 CDBDRO COCCn1cncc1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168978636 927566580 /nfs/dbraw/zinc/56/65/80/927566580.db2.gz TWGFJUBWHVHASU-VXGBXAGGSA-N 1 0 282.344 1.065 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCO[C@H]2CCCCO2)C1 ZINC001168985425 927575345 /nfs/dbraw/zinc/57/53/45/927575345.db2.gz FDVIFMGPBANSJY-UPJWGTAASA-N 1 0 272.345 1.565 20 5 CDBDRO Cc1cc(C)c(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c(=O)[nH]1 ZINC001168962426 927583972 /nfs/dbraw/zinc/58/39/72/927583972.db2.gz MRMBEYYPCVTZFP-NWDGAFQWSA-N 1 0 279.340 1.939 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H]2CCN(c3ccncn3)C2)C1 ZINC001168992442 927601522 /nfs/dbraw/zinc/60/15/22/927601522.db2.gz JWBQOBMOUWPPDV-RWMBFGLXSA-N 1 0 291.355 1.090 20 5 CDBDRO COCC1(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168998051 927603179 /nfs/dbraw/zinc/60/31/79/927603179.db2.gz HSBCZZBSSXWLOP-CHWSQXEVSA-N 1 0 286.372 1.465 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccn3)C2)C1 ZINC001168997301 927603799 /nfs/dbraw/zinc/60/37/99/927603799.db2.gz YNXJOKLFQRRXTG-MELADBBJSA-N 1 0 290.367 1.695 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2CCn3ccnc3C2)C1 ZINC001169010087 927614816 /nfs/dbraw/zinc/61/48/16/927614816.db2.gz ATVOYGJUGYPCDU-MNOVXSKESA-N 1 0 250.302 1.144 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](n2cnc3c2C[NH2+]CC3)C1 ZINC001169010703 927616471 /nfs/dbraw/zinc/61/64/71/927616471.db2.gz FQPZSCQAXWEXBE-ZJUUUORDSA-N 1 0 250.302 1.147 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(c3cccnc3)CC2)C1 ZINC001169011091 927617256 /nfs/dbraw/zinc/61/72/56/927617256.db2.gz IGRFTIADUFBNGU-KBPBESRZSA-N 1 0 290.367 1.649 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@@H](O)CO3)CC2)C1 ZINC001169013804 927620810 /nfs/dbraw/zinc/62/08/10/927620810.db2.gz WMGIWGUITWFFFF-JHJVBQTASA-N 1 0 284.356 1.048 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)nc2)C1 ZINC001168988315 927624311 /nfs/dbraw/zinc/62/43/11/927624311.db2.gz QVIMKMNPAAOSRI-KOLCDFICSA-N 1 0 253.277 1.756 20 5 CDBDRO Cc1cnc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)s1 ZINC001168988443 927627907 /nfs/dbraw/zinc/62/79/07/927627907.db2.gz SKMIYADTKHCZEM-UWVGGRQHSA-N 1 0 255.343 1.987 20 5 CDBDRO Cc1cnc(C[NH3+])n1-c1cc([N+](=O)[O-])cc(C)c1F ZINC001169030719 927638062 /nfs/dbraw/zinc/63/80/62/927638062.db2.gz JPMUBRIUZSFFNK-UHFFFAOYSA-N 1 0 264.260 1.995 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCOCC23CCC3)C1 ZINC001169033926 927640471 /nfs/dbraw/zinc/64/04/71/927640471.db2.gz DUHNDWNNMUHZBA-NEPJUHHUSA-N 1 0 254.330 1.687 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(c3ccncn3)CC2)C1 ZINC001169035562 927645357 /nfs/dbraw/zinc/64/53/57/927645357.db2.gz CCEQXWSRTJCSIV-STQMWFEESA-N 1 0 291.355 1.044 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](Oc3ccccn3)C2)C1 ZINC001169042474 927656638 /nfs/dbraw/zinc/65/66/38/927656638.db2.gz DUWWLIUQYUNSBW-RDBSUJKOSA-N 1 0 291.351 1.980 20 5 CDBDRO O=C1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]2CCCN12 ZINC001169052059 927668433 /nfs/dbraw/zinc/66/84/33/927668433.db2.gz FUMSUGLWXODJOD-JHJVBQTASA-N 1 0 281.356 1.129 20 5 CDBDRO C[NH2+]CCNC(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001156892197 929033312 /nfs/dbraw/zinc/03/33/12/929033312.db2.gz PPAIVTVRMPSHKL-UHFFFAOYSA-N 1 0 280.662 1.502 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCN2CC[C@@H](O)C2)cc1Cl ZINC000862530996 929422198 /nfs/dbraw/zinc/42/21/98/929422198.db2.gz AKVCRMXRWUCWAV-LLVKDONJSA-N 1 0 299.758 1.404 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](CF)C2)c1 ZINC000880232872 929636528 /nfs/dbraw/zinc/63/65/28/929636528.db2.gz FPIFFUQVYMSQSY-JTQLQIEISA-N 1 0 256.281 1.473 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC001170865040 930514014 /nfs/dbraw/zinc/51/40/14/930514014.db2.gz XTGALEHRCCUFPF-GFCCVEGCSA-N 1 0 269.301 1.381 20 5 CDBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+](C)CCO ZINC000884825076 930638941 /nfs/dbraw/zinc/63/89/41/930638941.db2.gz DDKXJZPRTUOXGV-UHFFFAOYSA-N 1 0 281.312 1.133 20 5 CDBDRO CCOc1cnc(NCC(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC001171189013 931835737 /nfs/dbraw/zinc/83/57/37/931835737.db2.gz ZYMBIGPZQWVODE-UHFFFAOYSA-N 1 0 254.290 1.538 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH3+] ZINC001118204128 937602875 /nfs/dbraw/zinc/60/28/75/937602875.db2.gz BUVCAJOLRBCSQT-UHFFFAOYSA-N 1 0 266.301 1.105 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001155032021 937623904 /nfs/dbraw/zinc/62/39/04/937623904.db2.gz WCPYDAXLLRCONM-IUCAKERBSA-N 1 0 254.265 1.410 20 5 CDBDRO O=[N+]([O-])CC[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000930511590 933390309 /nfs/dbraw/zinc/39/03/09/933390309.db2.gz KXHDVNQYMNDMEM-ZDUSSCGKSA-N 1 0 261.325 1.400 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001155914642 937687974 /nfs/dbraw/zinc/68/79/74/937687974.db2.gz KPEIYCQEPHYJQN-SECBINFHSA-N 1 0 275.312 1.900 20 5 CDBDRO [NH3+]CC[C@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001122212404 937913242 /nfs/dbraw/zinc/91/32/42/937913242.db2.gz QIHYDVBWVZRDHQ-ZDUSSCGKSA-N 1 0 291.351 1.725 20 5 CDBDRO [NH3+]CCc1nccn1-c1nccc(Cl)c1[N+](=O)[O-] ZINC001156477933 938372918 /nfs/dbraw/zinc/37/29/18/938372918.db2.gz UMSWJJHXEDPIMO-UHFFFAOYSA-N 1 0 267.676 1.330 20 5 CDBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001156927513 938435141 /nfs/dbraw/zinc/43/51/41/938435141.db2.gz ARMFXAKWCTUBCD-GFCCVEGCSA-N 1 0 294.355 1.905 20 5 CDBDRO [NH3+]Cc1cnn(-c2cc(Cl)ncc2[N+](=O)[O-])c1 ZINC001157471369 938498350 /nfs/dbraw/zinc/49/83/50/938498350.db2.gz DTGPSAJUWKIYQH-UHFFFAOYSA-N 1 0 253.649 1.288 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCCN1c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001157740299 938538673 /nfs/dbraw/zinc/53/86/73/938538673.db2.gz HBEJZFPFOSPERM-IUCAKERBSA-N 1 0 275.312 1.787 20 5 CDBDRO O=C(NCCC[NH2+]Cc1ccsc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767447 938543057 /nfs/dbraw/zinc/54/30/57/938543057.db2.gz NDBFASPKWWVTKN-GHMZBOCLSA-N 1 0 283.353 1.009 20 5 CDBDRO [NH3+][C@H]1CCc2nn(-c3cc(Cl)cc([N+](=O)[O-])n3)cc2C1 ZINC001157990735 938572891 /nfs/dbraw/zinc/57/28/91/938572891.db2.gz WPOXCPYCPFIVLN-VIFPVBQESA-N 1 0 293.714 1.645 20 5 CDBDRO [NH3+]Cc1ccc2ncn(-c3cc([N+](=O)[O-])ccn3)c2c1 ZINC001158007424 938574560 /nfs/dbraw/zinc/57/45/60/938574560.db2.gz PCBGHEBEEUKPSW-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO Cc1c(C)c(N2C[C@@H](C)[NH2+][C@@H](C)C2)ncc1[N+](=O)[O-] ZINC001158180611 938591981 /nfs/dbraw/zinc/59/19/81/938591981.db2.gz XSGHPPIFXAFVRK-DTORHVGOSA-N 1 0 264.329 1.793 20 5 CDBDRO CC[N@H+](CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1N)C1CC1 ZINC001158231878 938597626 /nfs/dbraw/zinc/59/76/26/938597626.db2.gz MCAMMXURYDAXFQ-UHFFFAOYSA-N 1 0 292.339 1.908 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(-n2ccc([C@@H](C)[NH3+])n2)n1 ZINC001158347945 938611423 /nfs/dbraw/zinc/61/14/23/938611423.db2.gz ANARWPWYSWOFKG-RXMQYKEDSA-N 1 0 282.691 1.552 20 5 CDBDRO CCOc1nc(N2CC[N@@H+]3CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC001158433911 938625723 /nfs/dbraw/zinc/62/57/23/938625723.db2.gz PRTHSPIUIIGRDQ-JTQLQIEISA-N 1 0 278.312 1.283 20 5 CDBDRO CC(C)[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(N)n2)C[C@@H]1C ZINC001158495391 938629526 /nfs/dbraw/zinc/62/95/26/938629526.db2.gz OOVCFRSJCKKPIK-JTQLQIEISA-N 1 0 279.344 1.491 20 5 CDBDRO CC[N@@H+]1CCN(c2cc([N+](=O)[O-])ccn2)C(C)(C)C1 ZINC001158561142 938636339 /nfs/dbraw/zinc/63/63/39/938636339.db2.gz KIOMZHDGRRBQBA-UHFFFAOYSA-N 1 0 264.329 1.910 20 5 CDBDRO C[C@@]1(C[NH3+])CCCN(c2nc(Cl)ncc2[N+](=O)[O-])C1 ZINC001158673551 938648739 /nfs/dbraw/zinc/64/87/39/938648739.db2.gz JQDBTKKZZMWNOU-NSHDSACASA-N 1 0 285.735 1.603 20 5 CDBDRO C[NH+]1CC2(CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C2)C1 ZINC001158865662 938673719 /nfs/dbraw/zinc/67/37/19/938673719.db2.gz ACZXYRYDWDWVKW-UHFFFAOYSA-N 1 0 273.296 1.223 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC2(C[NH2+]C2)CC1 ZINC001159040206 938695383 /nfs/dbraw/zinc/69/53/83/938695383.db2.gz XXSDADMXYSPZEJ-UHFFFAOYSA-N 1 0 282.731 1.833 20 5 CDBDRO [NH3+][C@H]1CC[C@H](N(c2cccc([N+](=O)[O-])n2)C2COC2)CC1 ZINC001161274849 938883484 /nfs/dbraw/zinc/88/34/84/938883484.db2.gz HGZLISRLBBYKBQ-XYPYZODXSA-N 1 0 292.339 1.465 20 5 CDBDRO CCOC(=O)c1cc(-n2cnc(C[NH3+])c2)ccc1[N+](=O)[O-] ZINC001162304316 938976643 /nfs/dbraw/zinc/97/66/43/938976643.db2.gz FSLVUKYPEHJDHT-UHFFFAOYSA-N 1 0 290.279 1.416 20 5 CDBDRO Cc1c[n+]([O-])c(N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001162391780 939042084 /nfs/dbraw/zinc/04/20/84/939042084.db2.gz ODBRJTDXNHXIGZ-NXEZZACHSA-N 1 0 266.301 1.218 20 5 CDBDRO COc1ncc([N+](=O)[O-])c(N[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC001162392678 939042734 /nfs/dbraw/zinc/04/27/34/939042734.db2.gz RKHNBXXESLTMFV-SFYZADRCSA-N 1 0 267.289 1.075 20 5 CDBDRO C[C@@H]1C[C@@H](CNc2ccc3c([N+](=O)[O-])c[nH]c3n2)C[NH2+]1 ZINC001162555572 939086384 /nfs/dbraw/zinc/08/63/84/939086384.db2.gz VSIBSPJFGLEVKT-RKDXNWHRSA-N 1 0 275.312 1.881 20 5 CDBDRO [NH3+]Cc1ccnn1-c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001162593859 939097591 /nfs/dbraw/zinc/09/75/91/939097591.db2.gz SNRKZYBWRQQAHF-UHFFFAOYSA-N 1 0 287.201 1.653 20 5 CDBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1cnc([N+](=O)[O-])cn1 ZINC001162776906 939136380 /nfs/dbraw/zinc/13/63/80/939136380.db2.gz GCQOGJLVAOABTC-QMMMGPOBSA-N 1 0 284.279 1.743 20 5 CDBDRO Cc1cnc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)c([N+](=O)[O-])c1 ZINC001162789435 939139394 /nfs/dbraw/zinc/13/93/94/939139394.db2.gz FMKJZUPVTRESJC-OUAUKWLOSA-N 1 0 260.297 1.484 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)n1 ZINC001162790056 939139884 /nfs/dbraw/zinc/13/98/84/939139884.db2.gz QCLKIHDZSKDNIP-XHNCKOQMSA-N 1 0 295.730 1.533 20 5 CDBDRO COc1nc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)ccc1[N+](=O)[O-] ZINC001162790905 939140422 /nfs/dbraw/zinc/14/04/22/939140422.db2.gz XPPHFZXSWTYBRV-LPEHRKFASA-N 1 0 276.296 1.184 20 5 CDBDRO COc1ncnc(NC2CC3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001162982010 939168738 /nfs/dbraw/zinc/16/87/38/939168738.db2.gz YTGGHMMDVLBDIP-UHFFFAOYSA-N 1 0 293.327 1.338 20 5 CDBDRO O=[N+]([O-])c1cc2cc[nH]c2c(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)c1 ZINC001163141782 939212147 /nfs/dbraw/zinc/21/21/47/939212147.db2.gz XIWYFLSWLRJXOL-RAIGVLPGSA-N 1 0 288.307 1.475 20 5 CDBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163267010 939235732 /nfs/dbraw/zinc/23/57/32/939235732.db2.gz IBRKFACQQNMDHX-UTLUCORTSA-N 1 0 287.323 1.881 20 5 CDBDRO C[NH+](C)CC1CCC(Nc2cc([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001163296721 939241652 /nfs/dbraw/zinc/24/16/52/939241652.db2.gz QSXZZGWHLDUPKN-UHFFFAOYSA-N 1 0 294.355 1.761 20 5 CDBDRO CN(CC[NH+](C)C)c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001163590310 939290182 /nfs/dbraw/zinc/29/01/82/939290182.db2.gz ZPXSHKMNAWIMOO-UHFFFAOYSA-N 1 0 258.709 1.641 20 5 CDBDRO CN(CC[NH3+])c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001163689673 939308667 /nfs/dbraw/zinc/30/86/67/939308667.db2.gz BVTFUKXQPUMYEY-UHFFFAOYSA-N 1 0 273.296 1.447 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001163772838 939326735 /nfs/dbraw/zinc/32/67/35/939326735.db2.gz PFJINVAUXCEOGD-QMMMGPOBSA-N 1 0 263.301 1.833 20 5 CDBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@@H](C)C[NH+](C)C ZINC001163786472 939331423 /nfs/dbraw/zinc/33/14/23/939331423.db2.gz ODCANIJSOQIUEV-QMMMGPOBSA-N 1 0 282.300 1.138 20 5 CDBDRO O=C(NCCC1(C[NH2+]CCC2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494545 939478917 /nfs/dbraw/zinc/47/89/17/939478917.db2.gz LPJKQXFNXVETPZ-CHWSQXEVSA-N 1 0 295.383 1.328 20 5 CDBDRO Cc1cc(Cl)nc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)c1[N+](=O)[O-] ZINC001165146132 939518104 /nfs/dbraw/zinc/51/81/04/939518104.db2.gz BSJSXIRNSPMSHL-UWVGGRQHSA-N 1 0 296.758 1.949 20 5 CDBDRO [NH3+]C1CC2(C1)CCN(c1nc(Cl)ncc1[N+](=O)[O-])CC2 ZINC001165242827 939531810 /nfs/dbraw/zinc/53/18/10/939531810.db2.gz FOTVWTDTPFFGKP-UHFFFAOYSA-N 1 0 297.746 1.746 20 5 CDBDRO [NH3+][C@]12C[C@H]1CN(c1ccc3c(cccc3[N+](=O)[O-])n1)C2 ZINC001165313539 939544249 /nfs/dbraw/zinc/54/42/49/939544249.db2.gz IGUKHVFMXRTYAD-XPTSAGLGSA-N 1 0 270.292 1.680 20 5 CDBDRO [NH3+][C@@]12C[C@@H]1CCN(c1ncc(F)cc1[N+](=O)[O-])C2 ZINC001165328388 939546226 /nfs/dbraw/zinc/54/62/26/939546226.db2.gz UEBKADKKBORGHW-WRWORJQWSA-N 1 0 252.249 1.056 20 5 CDBDRO CN1Cc2cc(-n3ccnc3CC[NH3+])cc([N+](=O)[O-])c2N1 ZINC001166411252 939608332 /nfs/dbraw/zinc/60/83/32/939608332.db2.gz XXRRAPJXUOCCFZ-UHFFFAOYSA-N 1 0 288.311 1.054 20 5 CDBDRO C[C@H]1CC[C@@H](C[NH3+])CN1c1ncc(F)cc1[N+](=O)[O-] ZINC000401159063 940864467 /nfs/dbraw/zinc/86/44/67/940864467.db2.gz KCDNUWXVAPAQPH-IUCAKERBSA-N 1 0 268.292 1.693 20 5 CDBDRO Nc1ccc(O[C@@H]2CSC3(C[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC001218103113 941039928 /nfs/dbraw/zinc/03/99/28/941039928.db2.gz PHPPFEILMTUDGQ-VIFPVBQESA-N 1 0 281.337 1.403 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CCC[NH2+]C2)c1 ZINC001218281282 941050690 /nfs/dbraw/zinc/05/06/90/941050690.db2.gz CSSUHMQXMXKVPD-SNVBAGLBSA-N 1 0 280.280 1.512 20 5 CDBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001218287057 941052901 /nfs/dbraw/zinc/05/29/01/941052901.db2.gz VORBATVCFZTRIR-SECBINFHSA-N 1 0 267.241 1.634 20 5 CDBDRO C[C@@H](C[NH3+])C(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2 ZINC001219255919 941323018 /nfs/dbraw/zinc/32/30/18/941323018.db2.gz NEWNLUFWFFCNHP-JTQLQIEISA-N 1 0 295.342 1.924 20 5 CDBDRO C[N@@H+]1[C@@H]2C[C@H](OCc3cccc([N+](=O)[O-])c3)[C@H]1CC(=O)C2 ZINC001222769509 941633020 /nfs/dbraw/zinc/63/30/20/941633020.db2.gz UZAXWZLNOILXDQ-CFVMTHIKSA-N 1 0 290.319 1.916 20 5 CDBDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H]2OCC[N+](C)(C)C ZINC001224771536 941790213 /nfs/dbraw/zinc/79/02/13/941790213.db2.gz NUUMSMKWAJMHLQ-WDNDVIMCSA-N 1 0 299.435 1.965 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(F)c(F)c1 ZINC001225313093 941842094 /nfs/dbraw/zinc/84/20/94/941842094.db2.gz DSCUKRBEEQAAKR-SECBINFHSA-N 1 0 274.287 1.327 20 5 CDBDRO CN1[C@@H]2C[C@@H](Oc3ccc([N+](=O)[O-])nc3)[C@H]1CC(=O)C2 ZINC001226709252 942054117 /nfs/dbraw/zinc/05/41/17/942054117.db2.gz HACAFDFNAYXTNE-XXILOJSOSA-N 1 0 277.280 1.173 20 5 CDBDRO COc1cc(-c2nn[nH]n2)ccc1O[C@H](C)C[N+](C)(C)C ZINC001229343531 942455601 /nfs/dbraw/zinc/45/56/01/942455601.db2.gz ZKGOZPCNKZTKPQ-SNVBAGLBSA-N 1 0 292.363 1.349 20 5 CDBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc[n+]([O-])cc1[N+](=O)[O-])C2 ZINC001229455164 942476672 /nfs/dbraw/zinc/47/66/72/942476672.db2.gz WKFCDBDDUDQMCH-URLYPYJESA-N 1 0 279.296 1.232 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(C(F)F)cc1 ZINC001229711596 942514326 /nfs/dbraw/zinc/51/43/26/942514326.db2.gz YBXBOAATPYVVFG-LLVKDONJSA-N 1 0 288.314 1.987 20 5 CDBDRO CC[NH+](CC)C[C@H](C)Oc1nc2c[nH]cc([N+](=O)[O-])c-2n1 ZINC001230229037 942591867 /nfs/dbraw/zinc/59/18/67/942591867.db2.gz CZVIVLWXCIOVTH-VIFPVBQESA-N 1 0 293.327 1.975 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2c[nH]cc([N+](=O)[O-])c-2n1 ZINC001230231032 942593479 /nfs/dbraw/zinc/59/34/79/942593479.db2.gz AYKRASZUFZUESX-QMMMGPOBSA-N 1 0 280.308 1.340 20 5 CDBDRO C[C@H](C[NH+](C)C)Oc1cc(Cl)cnc1[N+](=O)[O-] ZINC001233715927 943645649 /nfs/dbraw/zinc/64/56/49/943645649.db2.gz KIDQMMGPFZRFOT-SSDOTTSWSA-N 1 0 259.693 1.972 20 5 CDBDRO COCC[NH+]1CCC(Oc2ccnc([N+](=O)[O-])c2)CC1 ZINC001233856370 943674692 /nfs/dbraw/zinc/67/46/92/943674692.db2.gz CFPSDRWJVVMKRL-UHFFFAOYSA-N 1 0 281.312 1.479 20 5 CDBDRO COC(=O)c1ccc(O[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001234052322 943727967 /nfs/dbraw/zinc/72/79/67/943727967.db2.gz RMEZVOBBEDXFAZ-NSHDSACASA-N 1 0 294.307 1.854 20 5 CDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001263076534 943733698 /nfs/dbraw/zinc/73/36/98/943733698.db2.gz BQXJARLMRFBZGQ-IACUBPJLSA-N 1 0 289.335 1.394 20 5 CDBDRO COC(=O)c1c(O)cc(O)cc1O[C@@H](C)C[N+](C)(C)C ZINC001234354856 943813656 /nfs/dbraw/zinc/81/36/56/943813656.db2.gz WCGBLSPKQLAUCE-VIFPVBQESA-O 1 0 284.332 1.358 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(O[C@H]2CC[N@H+](C)C2)n1 ZINC001234880274 943965709 /nfs/dbraw/zinc/96/57/09/943965709.db2.gz ZWRCQDJRCDRYMS-QMMMGPOBSA-N 1 0 253.258 1.081 20 5 CDBDRO O=C([C@H]1CCC[NH2+]CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261527308 946160078 /nfs/dbraw/zinc/16/00/78/946160078.db2.gz MYNJDDWTVVZPLU-NSHDSACASA-N 1 0 289.335 1.827 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC001254532384 947508096 /nfs/dbraw/zinc/50/80/96/947508096.db2.gz NSGLVBAXRDCHLZ-CMPLNLGQSA-N 1 0 298.364 1.303 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1cnc(CC[NH3+])n1 ZINC001254537026 947515576 /nfs/dbraw/zinc/51/55/76/947515576.db2.gz VTESBYGHCHMZAN-JTQLQIEISA-N 1 0 275.312 1.491 20 5 CDBDRO CC(C)[C@H](CO)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254567525 947528222 /nfs/dbraw/zinc/52/82/22/947528222.db2.gz PAHLYXQLYDZTCW-OCCSQVGLSA-N 1 0 264.325 1.669 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)C2 ZINC001254566410 947528985 /nfs/dbraw/zinc/52/89/85/947528985.db2.gz JUMBGRAXRJUQCU-YDHLFZDLSA-N 1 0 276.336 1.955 20 5 CDBDRO NC(=[NH2+])c1nccn1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254574453 947532918 /nfs/dbraw/zinc/53/29/18/947532918.db2.gz HKXYPUCZVLODFS-NSHDSACASA-N 1 0 271.280 1.415 20 5 CDBDRO C[C@H](CCO)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254576797 947536313 /nfs/dbraw/zinc/53/63/13/947536313.db2.gz ZMEBDYBIAXAYFL-BXKDBHETSA-N 1 0 250.298 1.423 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCOC[C@H]1F)C2 ZINC001254579558 947537039 /nfs/dbraw/zinc/53/70/39/947537039.db2.gz STPBXVJSEFVAPU-BNOWGMLFSA-N 1 0 280.299 1.779 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCOC[C@@H]1F)C2 ZINC001254579559 947537652 /nfs/dbraw/zinc/53/76/52/947537652.db2.gz STPBXVJSEFVAPU-KWCYVHTRSA-N 1 0 280.299 1.779 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CCC[NH2+]2)n1 ZINC001247495643 948647715 /nfs/dbraw/zinc/64/77/15/948647715.db2.gz BGJTVHPVUSGUTD-ZETCQYMHSA-N 1 0 279.231 1.603 20 5 CDBDRO CC[N@@H+]1CCC[C@H](CNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC001327642993 954973221 /nfs/dbraw/zinc/97/32/21/954973221.db2.gz NHMWVCLTJBWHCJ-SNVBAGLBSA-N 1 0 279.344 1.716 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328723477 955441902 /nfs/dbraw/zinc/44/19/02/955441902.db2.gz AGSIAFLOXGSYMP-SNVBAGLBSA-N 1 0 292.339 1.618 20 5 CDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001303272771 956075353 /nfs/dbraw/zinc/07/53/53/956075353.db2.gz DTGHULHSUXBTKX-RYUDHWBXSA-N 1 0 278.312 1.232 20 5 CDBDRO COc1cc(C[NH2+][C@H](CCO)C(C)C)c([N+](=O)[O-])cc1O ZINC001308288768 956510084 /nfs/dbraw/zinc/51/00/84/956510084.db2.gz GPNQSXCJHXCVHC-LLVKDONJSA-N 1 0 298.339 1.806 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CNC(=O)C1 ZINC001308437186 956529984 /nfs/dbraw/zinc/52/99/84/956529984.db2.gz LYBZFUWCKQLXIY-SNVBAGLBSA-N 1 0 293.323 1.219 20 5 CDBDRO O=C(NCC[NH+]1CC=CC1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001331275101 956937937 /nfs/dbraw/zinc/93/79/37/956937937.db2.gz NNEMDRQKRNGMOY-UHFFFAOYSA-N 1 0 294.286 1.727 20 5 CDBDRO C[C@@H](CNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)[NH+](C)C ZINC001331303486 956956070 /nfs/dbraw/zinc/95/60/70/956956070.db2.gz MLIVWNDXRGYJGN-QMMMGPOBSA-N 1 0 284.291 1.806 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCOC3CC3)CC2)n1 ZINC001333007525 958013926 /nfs/dbraw/zinc/01/39/26/958013926.db2.gz YIYCWCXCLQOIHE-UHFFFAOYSA-N 1 0 280.328 1.607 20 5 CDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC001318415421 958091580 /nfs/dbraw/zinc/09/15/80/958091580.db2.gz VEHUOGYBPVHMQL-UWVGGRQHSA-N 1 0 281.312 1.790 20 5 CDBDRO CC[C@H]1CN(CC[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001334782639 959359152 /nfs/dbraw/zinc/35/91/52/959359152.db2.gz AUWWZHOTXPADID-HNNXBMFYSA-N 1 0 277.368 1.860 20 5 CDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC001335362163 959742710 /nfs/dbraw/zinc/74/27/10/959742710.db2.gz XEJZGFACPIGFBM-SECBINFHSA-N 1 0 263.297 1.499 20 5 CDBDRO CN(C)C(C)(C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335385191 959763143 /nfs/dbraw/zinc/76/31/43/959763143.db2.gz XNOBUEZYQVQTSH-ZDUSSCGKSA-N 1 0 281.356 1.558 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@]2(O)CCSC2)c1 ZINC001336802373 960602790 /nfs/dbraw/zinc/60/27/90/960602790.db2.gz CJOKIKWDHZUZGY-CHWSQXEVSA-N 1 0 298.364 1.086 20 5 CDBDRO Nc1cc(N2CCC[C@@H]([NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC001339537240 962412895 /nfs/dbraw/zinc/41/28/95/962412895.db2.gz YKMVCSXUDDAUGM-LLVKDONJSA-N 1 0 291.355 1.637 20 5 CDBDRO O=C(N1Cc2ccc([N+](=O)[O-])cc2C1)C12CC(C1)C[NH2+]2 ZINC001341591716 963475097 /nfs/dbraw/zinc/47/50/97/963475097.db2.gz AXSZMNOYEZJYCV-UHFFFAOYSA-N 1 0 273.292 1.189 20 5 CDBDRO C[C@@H](CNc1ccc2nonc2c1[N+](=O)[O-])C[NH+](C)C ZINC001343037385 963890176 /nfs/dbraw/zinc/89/01/76/963890176.db2.gz BVIVPUNOTIEAFJ-QMMMGPOBSA-N 1 0 279.300 1.741 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001343973924 964198495 /nfs/dbraw/zinc/19/84/95/964198495.db2.gz ISVJVYOVNMGLGO-QWHCGFSZSA-N 1 0 291.351 1.894 20 5 CDBDRO O=[N+]([O-])c1c(N[C@@H]2C[NH+]3CCC2CC3)nc2ccccn21 ZINC001347746474 965682560 /nfs/dbraw/zinc/68/25/60/965682560.db2.gz QWRSHZPWJQVSST-LLVKDONJSA-N 1 0 287.323 1.749 20 5 CDBDRO CC(C)[N@H+](C)CCCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001353272441 967843892 /nfs/dbraw/zinc/84/38/92/967843892.db2.gz IKQDIKAMGRUMOE-OAHLLOKOSA-N 1 0 295.383 1.948 20 5 CDBDRO C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001356581499 969436259 /nfs/dbraw/zinc/43/62/59/969436259.db2.gz ARUOPYCGXPLHLE-IUODEOHRSA-N 1 0 293.367 1.560 20 5 CDBDRO CC[NH2+][C@@H](C)C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001515788294 969917476 /nfs/dbraw/zinc/91/74/76/969917476.db2.gz GUENWUXUQKMZFC-VIFPVBQESA-N 1 0 251.286 1.840 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001605397082 1163549646 /nfs/dbraw/zinc/54/96/46/1163549646.db2.gz IZSWPHQUVSKNBO-QMMMGPOBSA-N 1 0 291.315 1.137 20 5 CDBDRO CN(CC[NH+]1CCCC1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601036872 342460474 /nfs/dbraw/zinc/46/04/74/342460474.db2.gz YITKSWGFYFCNTP-UHFFFAOYSA-N 1 0 295.314 1.902 20 5 CDBDRO CC[C@H](CO)Nc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601098972 342463833 /nfs/dbraw/zinc/46/38/33/342463833.db2.gz MLKNPZQSCHNNHJ-SECBINFHSA-N 1 0 261.281 1.748 20 5 CDBDRO C[NH+](C)C[C@H](CO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000589102040 342496988 /nfs/dbraw/zinc/49/69/88/342496988.db2.gz UUPDPFNLAPHUSY-MRVPVSSYSA-N 1 0 273.720 1.583 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000320257261 341993436 /nfs/dbraw/zinc/99/34/36/341993436.db2.gz QUWACRYAAVZLIF-VHSXEESVSA-N 1 0 265.313 1.379 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000601330898 342554794 /nfs/dbraw/zinc/55/47/94/342554794.db2.gz YYPOEFWJAGLRDI-DTWKUNHWSA-N 1 0 253.277 1.655 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601333481 342555091 /nfs/dbraw/zinc/55/50/91/342555091.db2.gz SZKGMUYJBNLJDH-DOMZBBRYSA-N 1 0 291.351 1.835 20 5 CDBDRO NC(=O)c1ccc(C[NH+]2C3CCC2CC3)c([N+](=O)[O-])c1 ZINC000533237498 282104912 /nfs/dbraw/zinc/10/49/12/282104912.db2.gz FHZKLBAJKWXEGG-UHFFFAOYSA-N 1 0 275.308 1.821 20 5 CDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000590566945 342576211 /nfs/dbraw/zinc/57/62/11/342576211.db2.gz TWBOOLUTLIVEJU-SMDDNHRTSA-N 1 0 291.351 1.688 20 5 CDBDRO [NH3+]CCCCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000070203683 361789654 /nfs/dbraw/zinc/78/96/54/361789654.db2.gz VNMFEOXQUJSDLE-UHFFFAOYSA-N 1 0 251.286 1.340 20 5 CDBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC1C[NH2+]C1 ZINC000236141997 342053024 /nfs/dbraw/zinc/05/30/24/342053024.db2.gz CDLRHNJPQZYPLT-UHFFFAOYSA-N 1 0 262.191 1.392 20 5 CDBDRO C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000046275332 342055969 /nfs/dbraw/zinc/05/59/69/342055969.db2.gz CSNLETNWGUKHTJ-SNVBAGLBSA-N 1 0 265.313 1.204 20 5 CDBDRO C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)C(C)(C)C[NH+](C)C ZINC000124891824 187159638 /nfs/dbraw/zinc/15/96/38/187159638.db2.gz CDQRWAHAWICXAV-VIFPVBQESA-N 1 0 297.359 1.034 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000590872573 342604012 /nfs/dbraw/zinc/60/40/12/342604012.db2.gz SDSUMGQZGKCWIO-YPMHNXCESA-N 1 0 289.335 1.679 20 5 CDBDRO Nc1ccc(NCC[NH+]2CCCCCC2)nc1[N+](=O)[O-] ZINC000312594279 342095527 /nfs/dbraw/zinc/09/55/27/342095527.db2.gz XIWKFFFMUQWCLI-UHFFFAOYSA-N 1 0 279.344 1.860 20 5 CDBDRO C[NH2+][C@H](C)c1cn(Cc2cccc([N+](=O)[O-])c2C)nn1 ZINC000312623356 342103970 /nfs/dbraw/zinc/10/39/70/342103970.db2.gz WZBQMDJOTNNNMW-SNVBAGLBSA-N 1 0 275.312 1.823 20 5 CDBDRO C[NH+]1CCC(N(CCO)Cc2csc([N+](=O)[O-])c2)CC1 ZINC000264346089 365668630 /nfs/dbraw/zinc/66/86/30/365668630.db2.gz DWBCLOITQOKPAQ-UHFFFAOYSA-N 1 0 299.396 1.545 20 5 CDBDRO Cc1cc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)ncc1[N+](=O)[O-] ZINC000591436501 342631642 /nfs/dbraw/zinc/63/16/42/342631642.db2.gz BAQVDVLFAHKLAZ-WDEREUQCSA-N 1 0 262.313 1.486 20 5 CDBDRO O=[N+]([O-])c1cc(CN[C@H]2CCC[NH2+]CC2)cs1 ZINC000591278536 342624176 /nfs/dbraw/zinc/62/41/76/342624176.db2.gz LPLNFUPGSSHLJH-JTQLQIEISA-N 1 0 255.343 1.888 20 5 CDBDRO O=[N+]([O-])c1ccc(CN[C@H]2CCC[NH2+]CC2)c(F)c1 ZINC000591278564 342624209 /nfs/dbraw/zinc/62/42/09/342624209.db2.gz RCUDQWWSYYFIEK-NSHDSACASA-N 1 0 267.304 1.966 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1N1C[C@H]3C[NH2+]C[C@H]3C1)CCN2 ZINC000591436614 342631802 /nfs/dbraw/zinc/63/18/02/342631802.db2.gz FZYFWASEMQROSH-AOOOYVTPSA-N 1 0 274.324 1.218 20 5 CDBDRO CC(=O)c1cc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)ccc1[N+](=O)[O-] ZINC000591439041 342632051 /nfs/dbraw/zinc/63/20/51/342632051.db2.gz QWWJJYDMUIJKPJ-SMDDNHRTSA-N 1 0 289.335 1.986 20 5 CDBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591438118 342632060 /nfs/dbraw/zinc/63/20/60/342632060.db2.gz LAOLDUBUZDTQKC-BXUZGUMPSA-N 1 0 289.335 1.986 20 5 CDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCC[NH3+] ZINC000591679784 342641661 /nfs/dbraw/zinc/64/16/61/342641661.db2.gz XMZHRORQMDXYJP-SNVBAGLBSA-N 1 0 297.380 1.883 20 5 CDBDRO CNc1ccc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000592319738 342684551 /nfs/dbraw/zinc/68/45/51/342684551.db2.gz USBTZYXHKIXHMR-GXSJLCMTSA-N 1 0 292.339 1.446 20 5 CDBDRO CNc1ccc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000592319741 342684627 /nfs/dbraw/zinc/68/46/27/342684627.db2.gz USBTZYXHKIXHMR-ONGXEEELSA-N 1 0 292.339 1.446 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000592434569 342692278 /nfs/dbraw/zinc/69/22/78/342692278.db2.gz LNAGKLCAOZEMPK-RYUDHWBXSA-N 1 0 297.330 1.735 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000592486469 342695765 /nfs/dbraw/zinc/69/57/65/342695765.db2.gz GCDDNHOILZGXOE-AAEUAGOBSA-N 1 0 297.330 1.605 20 5 CDBDRO Cc1n[nH]c(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c1[N+](=O)[O-] ZINC000592569102 342707462 /nfs/dbraw/zinc/70/74/62/342707462.db2.gz ZHIVMDPZELCDTE-SECBINFHSA-N 1 0 293.327 1.031 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1[N+](=O)[O-] ZINC000592541699 342708699 /nfs/dbraw/zinc/70/86/99/342708699.db2.gz JOAANYNBAHPLFD-JHEVNIALSA-N 1 0 289.335 1.831 20 5 CDBDRO CCC[N@H+](CCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136812709 361869281 /nfs/dbraw/zinc/86/92/81/361869281.db2.gz SHMDXNXAUGXQDU-ZDUSSCGKSA-N 1 0 268.313 1.333 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C)CC1 ZINC000096948714 185138056 /nfs/dbraw/zinc/13/80/56/185138056.db2.gz LVWJVBMTTWHYNH-UHFFFAOYSA-N 1 0 293.323 1.381 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000593905886 342854659 /nfs/dbraw/zinc/85/46/59/342854659.db2.gz DXDKHOQIGTWMOG-GFCCVEGCSA-N 1 0 291.351 1.909 20 5 CDBDRO Nc1nc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ncc1[N+](=O)[O-] ZINC000594602501 342924101 /nfs/dbraw/zinc/92/41/01/342924101.db2.gz QSXLDDZRHLMWMC-ZJUUUORDSA-N 1 0 292.343 1.226 20 5 CDBDRO Cn1nnc2c1CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C2 ZINC000594517101 342917043 /nfs/dbraw/zinc/91/70/43/342917043.db2.gz VCYKTNHXNUQCHS-NSHDSACASA-N 1 0 287.323 1.370 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000092955542 342270424 /nfs/dbraw/zinc/27/04/24/342270424.db2.gz RQDDXHVJPGVKHX-GXFFZTMASA-N 1 0 277.324 1.252 20 5 CDBDRO Cc1ccc(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000127839684 342286698 /nfs/dbraw/zinc/28/66/98/342286698.db2.gz VIQMGPVEVNMGGE-MFKMUULPSA-N 1 0 293.323 1.091 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCOCCO ZINC000595034052 342997511 /nfs/dbraw/zinc/99/75/11/342997511.db2.gz PBZMMMYGBSMHHF-NSHDSACASA-N 1 0 298.339 1.653 20 5 CDBDRO O=[N+]([O-])c1cccc(C[N@H+](CCc2c[nH]nn2)C2CC2)c1 ZINC000595352443 343046165 /nfs/dbraw/zinc/04/61/65/343046165.db2.gz KXHBTFLEXMSDNH-UHFFFAOYSA-N 1 0 287.323 1.920 20 5 CDBDRO C[C@@H](O)CC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000075782615 342317287 /nfs/dbraw/zinc/31/72/87/342317287.db2.gz LWGCJEDMXGNXMV-LLVKDONJSA-N 1 0 268.313 1.676 20 5 CDBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595456123 343067973 /nfs/dbraw/zinc/06/79/73/343067973.db2.gz WDKMJYHMXNIHKU-RYUDHWBXSA-N 1 0 295.314 1.738 20 5 CDBDRO Cc1noc(C[N@@H+]2CCC[C@@H](CCO)CC2)c1[N+](=O)[O-] ZINC000595545506 343083461 /nfs/dbraw/zinc/08/34/61/343083461.db2.gz INVOEEZCKGBFCO-LLVKDONJSA-N 1 0 283.328 1.876 20 5 CDBDRO CC[C@@H](C)[NH+]1CCN(Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595520593 343087924 /nfs/dbraw/zinc/08/79/24/343087924.db2.gz NKCRRTHYKSAUEO-SNVBAGLBSA-N 1 0 282.344 1.807 20 5 CDBDRO Cc1noc(CN2CC[N@@H+](C)C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000595499013 343077678 /nfs/dbraw/zinc/07/76/78/343077678.db2.gz JZYDEHSXVIPTNJ-NSHDSACASA-N 1 0 282.344 1.663 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000077994875 342332831 /nfs/dbraw/zinc/33/28/31/342332831.db2.gz VGAMVOZSVOKTER-UHFFFAOYSA-N 1 0 293.371 1.783 20 5 CDBDRO O=C1CC[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CC[C@H]2N1 ZINC000595739846 343136391 /nfs/dbraw/zinc/13/63/91/343136391.db2.gz KVEBJRZQLBARGJ-TZMCWYRMSA-N 1 0 289.335 1.695 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000595985016 343211429 /nfs/dbraw/zinc/21/14/29/343211429.db2.gz ZXWMROAUVKOZIO-VHSXEESVSA-N 1 0 297.380 1.800 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000595985113 343211747 /nfs/dbraw/zinc/21/17/47/343211747.db2.gz WZRWRUPVJLHEBD-SNVBAGLBSA-N 1 0 265.313 1.549 20 5 CDBDRO Nc1ccc(N2CCCC[C@H]2CC[NH3+])nc1[N+](=O)[O-] ZINC000596015872 343219227 /nfs/dbraw/zinc/21/92/27/343219227.db2.gz IERFOTLGYPPURE-VIFPVBQESA-N 1 0 265.317 1.280 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000595916392 343191434 /nfs/dbraw/zinc/19/14/34/343191434.db2.gz RQUMMYUIJWMNDL-GFCCVEGCSA-N 1 0 280.328 1.121 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595949143 343194165 /nfs/dbraw/zinc/19/41/65/343194165.db2.gz YCLJQKPVEVWXKK-UHFFFAOYSA-N 1 0 251.286 1.404 20 5 CDBDRO COc1ccc(NC(=O)[C@H]2[NH2+]CCC2(C)C)cc1[N+](=O)[O-] ZINC000595952215 343194959 /nfs/dbraw/zinc/19/49/59/343194959.db2.gz NGSNEJHTUPEHNL-GFCCVEGCSA-N 1 0 293.323 1.930 20 5 CDBDRO Cc1cc(NCCN2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000596062117 343223735 /nfs/dbraw/zinc/22/37/35/343223735.db2.gz HXKYJSFANRNEBD-UHFFFAOYSA-N 1 0 284.385 1.624 20 5 CDBDRO CC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])s2)[C@H](C)C1 ZINC000596268630 343280878 /nfs/dbraw/zinc/28/08/78/343280878.db2.gz KWJOEIHGNQPSMO-SECBINFHSA-N 1 0 270.358 1.972 20 5 CDBDRO C[C@H](CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[NH+](C)C ZINC000596428811 343312347 /nfs/dbraw/zinc/31/23/47/343312347.db2.gz IFNYQBJMVBUTDB-SECBINFHSA-N 1 0 280.328 1.446 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000597532487 343567872 /nfs/dbraw/zinc/56/78/72/343567872.db2.gz BCFLIIGPVSHQLG-GHMZBOCLSA-N 1 0 280.328 1.146 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000597696093 343614254 /nfs/dbraw/zinc/61/42/54/343614254.db2.gz BGHIXCOEQMGWJE-SCZZXKLOSA-N 1 0 266.301 1.088 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)[NH+](C)C ZINC000597999284 343685609 /nfs/dbraw/zinc/68/56/09/343685609.db2.gz RRAOBDMXYAWSHQ-SNVBAGLBSA-N 1 0 295.339 1.673 20 5 CDBDRO CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[NH2+]1 ZINC000598574140 343833449 /nfs/dbraw/zinc/83/34/49/343833449.db2.gz KSEMZECYSIWHPI-JTQLQIEISA-N 1 0 280.328 1.003 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000598575673 343834380 /nfs/dbraw/zinc/83/43/80/343834380.db2.gz VRCOTQMBSYTBQG-AWEZNQCLSA-N 1 0 291.351 1.973 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)ccc1[N+](=O)[O-] ZINC000598667829 343859181 /nfs/dbraw/zinc/85/91/81/343859181.db2.gz MKKFZRDLMLVQKO-DOMZBBRYSA-N 1 0 289.335 1.857 20 5 CDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000598668125 343871341 /nfs/dbraw/zinc/87/13/41/343871341.db2.gz QSYBIHSRXRIILN-DOMZBBRYSA-N 1 0 289.335 1.477 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000599007372 343938514 /nfs/dbraw/zinc/93/85/14/343938514.db2.gz PTOGYRIVWIUSMC-NCJBQBKSSA-N 1 0 262.309 1.969 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915386 343919593 /nfs/dbraw/zinc/91/95/93/343919593.db2.gz LBZXCAALGBGZOB-ZCFIWIBFSA-N 1 0 272.692 1.717 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598916519 343920693 /nfs/dbraw/zinc/92/06/93/343920693.db2.gz ZZDBBYDEERMXQO-ZCFIWIBFSA-N 1 0 272.692 1.717 20 5 CDBDRO Cc1cc(NC(=O)NC[C@H]2COCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000599610350 344094669 /nfs/dbraw/zinc/09/46/69/344094669.db2.gz HFXRBXWAILINDO-NSHDSACASA-N 1 0 294.311 1.013 20 5 CDBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3C[C@@H]4COC[C@@H]4C3)nc2c1 ZINC000601971435 344300424 /nfs/dbraw/zinc/30/04/24/344300424.db2.gz AWCZYBYJDFKVPP-AOOOYVTPSA-N 1 0 289.291 1.814 20 5 CDBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC000602423022 344420321 /nfs/dbraw/zinc/42/03/21/344420321.db2.gz BNQPYTXZXWZBIH-UHFFFAOYSA-N 1 0 267.260 1.169 20 5 CDBDRO CC[NH2+][C@@H](C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000602438130 344416748 /nfs/dbraw/zinc/41/67/48/344416748.db2.gz BSHNBRQTLNPVNS-VIFPVBQESA-N 1 0 251.286 1.209 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000602596075 344502679 /nfs/dbraw/zinc/50/26/79/344502679.db2.gz NACBIZRVDPFBIH-QWRGUYRKSA-N 1 0 277.324 1.773 20 5 CDBDRO CC(=O)N1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602713495 344553922 /nfs/dbraw/zinc/55/39/22/344553922.db2.gz CDOHVNDCNIEKCP-CYBMUJFWSA-N 1 0 277.324 1.348 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000269274773 529993590 /nfs/dbraw/zinc/99/35/90/529993590.db2.gz ZEDPZMSPIBCMEF-VIFPVBQESA-N 1 0 281.312 1.075 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602802342 344592091 /nfs/dbraw/zinc/59/20/91/344592091.db2.gz ZGATXUIHIGEDBM-NWDGAFQWSA-N 1 0 295.387 1.514 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCCO)CC(C)(C)C ZINC000602776593 344578853 /nfs/dbraw/zinc/57/88/53/344578853.db2.gz VDPOKHCXMMTLBA-UHFFFAOYSA-N 1 0 298.387 1.830 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@]1(C)CCO[C@H]1C ZINC000602822328 344610509 /nfs/dbraw/zinc/61/05/09/344610509.db2.gz RHIWDDGGTKAIFV-CABZTGNLSA-N 1 0 268.317 1.257 20 5 CDBDRO CO[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602896261 344652645 /nfs/dbraw/zinc/65/26/45/344652645.db2.gz JIGLXNXTNWNAEC-CYBMUJFWSA-N 1 0 282.296 1.278 20 5 CDBDRO COC[C@H](CO)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000603430252 344802984 /nfs/dbraw/zinc/80/29/84/344802984.db2.gz YIQDTDHAEODLIY-VKUYVZBCSA-N 1 0 280.324 1.595 20 5 CDBDRO C[C@H]1C[NH+](CCCNc2cccnc2[N+](=O)[O-])C[C@H](C)O1 ZINC000603845207 344837958 /nfs/dbraw/zinc/83/79/58/344837958.db2.gz LUIUKZDFJHCPHC-RYUDHWBXSA-N 1 0 294.355 1.901 20 5 CDBDRO CCCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000603682080 344825423 /nfs/dbraw/zinc/82/54/23/344825423.db2.gz BWNLZEYGWJUOBR-UHFFFAOYSA-N 1 0 264.329 1.912 20 5 CDBDRO CC[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000043643685 344853267 /nfs/dbraw/zinc/85/32/67/344853267.db2.gz GSGDXNRCSKCAIE-UHFFFAOYSA-N 1 0 280.328 1.479 20 5 CDBDRO [NH3+][C@@H]1CCCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000302525491 344868012 /nfs/dbraw/zinc/86/80/12/344868012.db2.gz FOCOIRHCGKJIFE-SSDOTTSWSA-N 1 0 256.693 1.571 20 5 CDBDRO CC[NH+]1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344190340 362549336 /nfs/dbraw/zinc/54/93/36/362549336.db2.gz QTHJNCYYNLFEPG-UHFFFAOYSA-N 1 0 295.314 1.948 20 5 CDBDRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000344041515 362540183 /nfs/dbraw/zinc/54/01/83/362540183.db2.gz WBNSDNNKDMTSAT-OBJOEFQTSA-N 1 0 292.335 1.806 20 5 CDBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000293533673 362573670 /nfs/dbraw/zinc/57/36/70/362573670.db2.gz XFZWFPRBLXEWOL-AAEUAGOBSA-N 1 0 298.339 1.037 20 5 CDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])nc2)C1 ZINC000617454912 345544847 /nfs/dbraw/zinc/54/48/47/345544847.db2.gz NFBOEUOKSRIADV-DGCLKSJQSA-N 1 0 276.340 1.910 20 5 CDBDRO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000057714485 347086806 /nfs/dbraw/zinc/08/68/06/347086806.db2.gz MNESGRMUZQKNOS-JTQLQIEISA-N 1 0 277.324 1.807 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC[NH2+]C1CC1 ZINC000151536162 345693035 /nfs/dbraw/zinc/69/30/35/345693035.db2.gz MXKFSPUXOBBWQX-UHFFFAOYSA-N 1 0 297.742 1.659 20 5 CDBDRO CNc1ccc(C(=O)NCC2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000584589588 346376435 /nfs/dbraw/zinc/37/64/35/346376435.db2.gz BBCKRGABPXTRQT-UHFFFAOYSA-N 1 0 290.323 1.286 20 5 CDBDRO Cc1sc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000186767662 282476193 /nfs/dbraw/zinc/47/61/93/282476193.db2.gz OMYIMEYRIOAZNP-APPZFPTMSA-N 1 0 283.353 1.693 20 5 CDBDRO CC[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000122425467 347645201 /nfs/dbraw/zinc/64/52/01/347645201.db2.gz ZKFHFVCBFGLHHO-WCQYABFASA-N 1 0 291.351 1.723 20 5 CDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CCOC1 ZINC000090517929 347742698 /nfs/dbraw/zinc/74/26/98/347742698.db2.gz MIWHUMNZCUOEFF-LBPRGKRZSA-N 1 0 295.339 1.115 20 5 CDBDRO CC(C)(CCC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000293661734 362866965 /nfs/dbraw/zinc/86/69/65/362866965.db2.gz LSLPYAMQXHWJPB-UHFFFAOYSA-N 1 0 280.328 1.424 20 5 CDBDRO CC1(C)[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000129349978 362896137 /nfs/dbraw/zinc/89/61/37/362896137.db2.gz AUYJCRCQTFMZPI-NEPJUHHUSA-N 1 0 250.298 1.844 20 5 CDBDRO C[NH+](C)CCn1cc(Nc2ccc([N+](=O)[O-])cn2)cn1 ZINC000057854420 348849112 /nfs/dbraw/zinc/84/91/12/348849112.db2.gz QNPKYTHKMNVTDM-UHFFFAOYSA-N 1 0 276.300 1.492 20 5 CDBDRO C[NH+](C)C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000066395993 348983559 /nfs/dbraw/zinc/98/35/59/348983559.db2.gz KXDKGLJIVWMZNC-UHFFFAOYSA-N 1 0 291.351 1.690 20 5 CDBDRO COC(=O)COC[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000295153004 199375656 /nfs/dbraw/zinc/37/56/56/199375656.db2.gz JTAIOAZDUZZYMS-NSHDSACASA-N 1 0 296.323 1.305 20 5 CDBDRO CCC(CC)(C[NH3+])NC(=O)c1ccccc1[N+](=O)[O-] ZINC000111831388 349232878 /nfs/dbraw/zinc/23/28/78/349232878.db2.gz JZXFTCJYXLMIQB-UHFFFAOYSA-N 1 0 265.313 1.842 20 5 CDBDRO C[C@H]1C[N@H+](CCCNc2cccnc2[N+](=O)[O-])CCCO1 ZINC000617843296 349245698 /nfs/dbraw/zinc/24/56/98/349245698.db2.gz ZFSTYAHHIYGTFK-LBPRGKRZSA-N 1 0 294.355 1.903 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCC1 ZINC000090550810 180002612 /nfs/dbraw/zinc/00/26/12/180002612.db2.gz SBZDPONHHJPJGJ-UHFFFAOYSA-N 1 0 251.286 1.241 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](C[NH+](C)C)C1 ZINC000271364057 191099258 /nfs/dbraw/zinc/09/92/58/191099258.db2.gz VDISNSPNTFKMFX-LLVKDONJSA-N 1 0 264.329 1.686 20 5 CDBDRO COCC[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000105832078 186076295 /nfs/dbraw/zinc/07/62/95/186076295.db2.gz ZBDWGIJFXHRZHM-ZDUSSCGKSA-N 1 0 293.367 1.747 20 5 CDBDRO O=C(NCC[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])s1 ZINC000106365813 186110262 /nfs/dbraw/zinc/11/02/62/186110262.db2.gz NQRBYZKBAQVGLZ-SECBINFHSA-N 1 0 283.353 1.776 20 5 CDBDRO Cc1cccc(C(=O)NCC[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000110795098 186324915 /nfs/dbraw/zinc/32/49/15/186324915.db2.gz WZTNSCBNSFTWRD-LLVKDONJSA-N 1 0 277.324 1.633 20 5 CDBDRO COCC[N@H+](C)CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000312007905 350738437 /nfs/dbraw/zinc/73/84/37/350738437.db2.gz QYHRGWSEEUFVQY-UHFFFAOYSA-N 1 0 288.735 1.633 20 5 CDBDRO Nc1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)nc1[N+](=O)[O-] ZINC000313082308 350815436 /nfs/dbraw/zinc/81/54/36/350815436.db2.gz XACZHIZEGWUPHV-SNVBAGLBSA-N 1 0 277.328 1.247 20 5 CDBDRO [NH3+]C1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000208854753 350830507 /nfs/dbraw/zinc/83/05/07/350830507.db2.gz HXKZVPKBCSBORC-UTCJRWHESA-N 1 0 275.308 1.558 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000573325161 363001907 /nfs/dbraw/zinc/00/19/07/363001907.db2.gz UVOFXAGQASIKLC-VIFPVBQESA-N 1 0 295.295 1.037 20 5 CDBDRO CN(CCCC[NH+](C)C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000081791536 351167451 /nfs/dbraw/zinc/16/74/51/351167451.db2.gz VSGOWTCMGCAUGC-UHFFFAOYSA-N 1 0 293.367 1.938 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000156444391 351492250 /nfs/dbraw/zinc/49/22/50/351492250.db2.gz VYLGLXODFPUFQK-CABZTGNLSA-N 1 0 294.311 1.175 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000516371060 363087948 /nfs/dbraw/zinc/08/79/48/363087948.db2.gz JPWYKXLKENFZIG-UHFFFAOYSA-N 1 0 268.317 1.005 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000131540004 187571322 /nfs/dbraw/zinc/57/13/22/187571322.db2.gz RDDHPVQWRDQRNO-UHFFFAOYSA-N 1 0 283.303 1.806 20 5 CDBDRO COc1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000136478409 363110448 /nfs/dbraw/zinc/11/04/48/363110448.db2.gz FBIYFGZYDALDQB-SECBINFHSA-N 1 0 279.296 1.542 20 5 CDBDRO COc1ccc(NC(=O)C(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000136475066 363111349 /nfs/dbraw/zinc/11/13/49/363111349.db2.gz CFYGEHYQTSNPPV-UHFFFAOYSA-N 1 0 267.285 1.527 20 5 CDBDRO Cc1c(CNC(=O)CC[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000231856957 140219523 /nfs/dbraw/zinc/21/95/23/140219523.db2.gz DWZJCQQCRGRQNA-VIFPVBQESA-N 1 0 265.313 1.647 20 5 CDBDRO C[C@H](CCCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000292087199 198157912 /nfs/dbraw/zinc/15/79/12/198157912.db2.gz MUVPZDZSJNGKTD-SECBINFHSA-N 1 0 283.303 1.981 20 5 CDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1C[C@@H]([NH3+])C1 ZINC001579349416 1172153030 /nfs/dbraw/zinc/15/30/30/1172153030.db2.gz YDXKSKJMTHLICJ-DTORHVGOSA-N 1 0 299.352 1.148 20 5 CDBDRO CCC[NH2+][C@H](C)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423828360 535190706 /nfs/dbraw/zinc/19/07/06/535190706.db2.gz PPKCAVNWTHXKMV-SNVBAGLBSA-N 1 0 292.339 1.263 20 5 CDBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])cc1 ZINC000271652145 191260756 /nfs/dbraw/zinc/26/07/56/191260756.db2.gz SFHJRRVXKQBNBB-CYBMUJFWSA-N 1 0 292.339 1.347 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152732854 188039829 /nfs/dbraw/zinc/03/98/29/188039829.db2.gz JAVQRZUMNJCRRV-UHFFFAOYSA-N 1 0 285.731 1.930 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H](C)O ZINC000156344976 188256777 /nfs/dbraw/zinc/25/67/77/188256777.db2.gz SJGRGBRDGQIGKH-NSHDSACASA-N 1 0 295.339 1.544 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H](C)O ZINC000156344837 188257204 /nfs/dbraw/zinc/25/72/04/188257204.db2.gz SJGRGBRDGQIGKH-LLVKDONJSA-N 1 0 295.339 1.544 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000295185864 199393940 /nfs/dbraw/zinc/39/39/40/199393940.db2.gz IDZCUDGFUGPZOC-OALRPVAKSA-N 1 0 277.324 1.852 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000293030211 198501073 /nfs/dbraw/zinc/50/10/73/198501073.db2.gz JVNZBHOMXVCEGH-SNVBAGLBSA-N 1 0 264.329 1.565 20 5 CDBDRO C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000036932563 363293364 /nfs/dbraw/zinc/29/33/64/363293364.db2.gz HRBJMJIUIWMAON-CHWSQXEVSA-N 1 0 293.367 1.966 20 5 CDBDRO Nc1nc(SCCC[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000578084228 356136901 /nfs/dbraw/zinc/13/69/01/356136901.db2.gz STSLCGUAHJRVGX-UHFFFAOYSA-N 1 0 297.384 1.765 20 5 CDBDRO CC[N@@H+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000286406428 356292072 /nfs/dbraw/zinc/29/20/72/356292072.db2.gz PYTORMJZGHIABJ-NSHDSACASA-N 1 0 264.329 1.829 20 5 CDBDRO NC(=O)Cc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000608982504 356320735 /nfs/dbraw/zinc/32/07/35/356320735.db2.gz OPEBBFHFKWDICD-UHFFFAOYSA-N 1 0 299.330 1.912 20 5 CDBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC1CC1 ZINC000134844034 356426045 /nfs/dbraw/zinc/42/60/45/356426045.db2.gz NDQUJOGVXKKVEQ-UWVGGRQHSA-N 1 0 277.324 1.913 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000273652497 192247525 /nfs/dbraw/zinc/24/75/25/192247525.db2.gz UUALKTXWAWTUDC-NSHDSACASA-N 1 0 279.344 1.917 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000041028418 357019240 /nfs/dbraw/zinc/01/92/40/357019240.db2.gz IXMCPMAABGNBGV-SSDOTTSWSA-N 1 0 255.299 1.220 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248654862 363575664 /nfs/dbraw/zinc/57/56/64/363575664.db2.gz VZMFKBBOEOIPAX-XDTLVQLUSA-N 1 0 290.323 1.108 20 5 CDBDRO C[N@@H+](CCc1ccncc1)CCn1cc([N+](=O)[O-])cn1 ZINC000181458085 357349436 /nfs/dbraw/zinc/34/94/36/357349436.db2.gz QVFBKWMMCRUWGF-UHFFFAOYSA-N 1 0 275.312 1.361 20 5 CDBDRO CC(C)[NH2+]CCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000566199740 357434089 /nfs/dbraw/zinc/43/40/89/357434089.db2.gz LWTCCIJKOKZNQP-UHFFFAOYSA-N 1 0 271.342 1.774 20 5 CDBDRO CCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@H+]2CC)c1[N+](=O)[O-] ZINC000264559731 357378869 /nfs/dbraw/zinc/37/88/69/357378869.db2.gz NCDHLMVINOROGH-VIFPVBQESA-N 1 0 295.343 1.094 20 5 CDBDRO CN1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C[NH3+])C1 ZINC000226626668 357474609 /nfs/dbraw/zinc/47/46/09/357474609.db2.gz HWCKQMPXTVXGFC-LBPRGKRZSA-N 1 0 298.774 1.323 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000186723955 357678523 /nfs/dbraw/zinc/67/85/23/357678523.db2.gz HNDNIEWDLMLIHE-FZMZJTMJSA-N 1 0 291.351 1.642 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000186732992 357681344 /nfs/dbraw/zinc/68/13/44/357681344.db2.gz RCORIVUUPBPLLV-UHFFFAOYSA-N 1 0 277.324 1.761 20 5 CDBDRO C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000135236428 357809919 /nfs/dbraw/zinc/80/99/19/357809919.db2.gz YABTWVXKAYSHIY-ZWNOBZJWSA-N 1 0 277.324 1.333 20 5 CDBDRO CN(C)[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])c1ccco1 ZINC000294343494 199005446 /nfs/dbraw/zinc/00/54/46/199005446.db2.gz LIVLAWMLKXZZAM-LLVKDONJSA-N 1 0 297.355 1.834 20 5 CDBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCC[NH+](C)C ZINC000286899459 358024854 /nfs/dbraw/zinc/02/48/54/358024854.db2.gz JQFPKIHYJCWXFE-UHFFFAOYSA-N 1 0 251.286 1.771 20 5 CDBDRO CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1(CO)CC1 ZINC000285341328 358040609 /nfs/dbraw/zinc/04/06/09/358040609.db2.gz ABFOMIBESIIZTG-UHFFFAOYSA-N 1 0 281.268 1.460 20 5 CDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ncc([N+](=O)[O-])s1 ZINC000192451969 358203903 /nfs/dbraw/zinc/20/39/03/358203903.db2.gz BYFIGHVJVRSXAQ-VIFPVBQESA-N 1 0 285.373 1.099 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000165896843 358238394 /nfs/dbraw/zinc/23/83/94/358238394.db2.gz AIHMGOSSSACOIP-VIFPVBQESA-N 1 0 271.704 1.715 20 5 CDBDRO CCc1n[nH]c(C(=O)N(CC)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000192934312 358250626 /nfs/dbraw/zinc/25/06/26/358250626.db2.gz WVJPJODZRYCKKD-UHFFFAOYSA-N 1 0 297.359 1.294 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000287237044 358348944 /nfs/dbraw/zinc/34/89/44/358348944.db2.gz PUJWXIMLXRGSFW-VIFPVBQESA-N 1 0 251.286 1.275 20 5 CDBDRO C[N@H+](C[C@@H](O)COc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000290780800 358374089 /nfs/dbraw/zinc/37/40/89/358374089.db2.gz MWIRFZMGFUZSIA-SNVBAGLBSA-N 1 0 284.287 1.568 20 5 CDBDRO CC[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1O ZINC000595403536 358644744 /nfs/dbraw/zinc/64/47/44/358644744.db2.gz CNMLKPXCYCHULH-TVQRCGJNSA-N 1 0 268.288 1.937 20 5 CDBDRO CC[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1O ZINC000595403534 358644773 /nfs/dbraw/zinc/64/47/73/358644773.db2.gz CNMLKPXCYCHULH-NOZJJQNGSA-N 1 0 268.288 1.937 20 5 CDBDRO [NH3+][C@H]1C[C@@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000567589479 358704693 /nfs/dbraw/zinc/70/46/93/358704693.db2.gz XVAPCNOOYKFWBB-BETUJISGSA-N 1 0 291.351 1.771 20 5 CDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000567673380 358717881 /nfs/dbraw/zinc/71/78/81/358717881.db2.gz UOSIDYKDJMSODU-NXEZZACHSA-N 1 0 295.343 1.059 20 5 CDBDRO C[C@@H](O)C[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567876622 358742275 /nfs/dbraw/zinc/74/22/75/358742275.db2.gz VKQLSPVBLSDGGO-GHMZBOCLSA-N 1 0 295.339 1.672 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000186716405 358818119 /nfs/dbraw/zinc/81/81/19/358818119.db2.gz LRIMCXVAYQSSCG-MFKMUULPSA-N 1 0 277.324 1.631 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000104114068 358946833 /nfs/dbraw/zinc/94/68/33/358946833.db2.gz CTEFEGRRGDRSSO-JTQLQIEISA-N 1 0 278.312 1.668 20 5 CDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000267177271 358994083 /nfs/dbraw/zinc/99/40/83/358994083.db2.gz XFLGVDOFHMVLAN-UHFFFAOYSA-N 1 0 295.339 1.626 20 5 CDBDRO CCCNC(=O)[C@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338384818 359126078 /nfs/dbraw/zinc/12/60/78/359126078.db2.gz ZPLQFFGBFPHXKE-LBPRGKRZSA-N 1 0 293.367 1.984 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000267258837 359197685 /nfs/dbraw/zinc/19/76/85/359197685.db2.gz FUCGRBAIINKWQS-VHSXEESVSA-N 1 0 280.328 1.526 20 5 CDBDRO C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000050162891 359352233 /nfs/dbraw/zinc/35/22/33/359352233.db2.gz ZWNCIDUBPDRXFT-GHMZBOCLSA-N 1 0 277.324 1.713 20 5 CDBDRO CC(C)C[C@@H]([NH3+])c1noc(CCn2cc([N+](=O)[O-])cn2)n1 ZINC000339360396 359384269 /nfs/dbraw/zinc/38/42/69/359384269.db2.gz KMMWDSAXYWTMNR-SNVBAGLBSA-N 1 0 294.315 1.463 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000339775144 359438496 /nfs/dbraw/zinc/43/84/96/359438496.db2.gz DWCBMCFGGQWGFE-CYBMUJFWSA-N 1 0 280.324 1.950 20 5 CDBDRO CCC[C@@](C)([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015971 359561552 /nfs/dbraw/zinc/56/15/52/359561552.db2.gz FYDVHLRRAVMMFP-CYBMUJFWSA-N 1 0 265.313 1.729 20 5 CDBDRO Cc1cc(C(=O)N2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000033439595 359700535 /nfs/dbraw/zinc/70/05/35/359700535.db2.gz TUNOHUAPRRAEAA-UHFFFAOYSA-N 1 0 263.297 1.467 20 5 CDBDRO O=C(NCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000054265433 360065884 /nfs/dbraw/zinc/06/58/84/360065884.db2.gz WYSJDSQNEXXCBJ-UHFFFAOYSA-N 1 0 267.260 1.216 20 5 CDBDRO C[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000053712130 370669991 /nfs/dbraw/zinc/66/99/91/370669991.db2.gz NQJWYYXMTQHTSN-OCAPTIKFSA-N 1 0 281.341 1.491 20 5 CDBDRO CCc1ccc(C(=O)N2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000178582407 189128566 /nfs/dbraw/zinc/12/85/66/189128566.db2.gz ZPAXLJRRPABGRU-SNVBAGLBSA-N 1 0 277.324 1.578 20 5 CDBDRO CCc1n[nH]c(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000408439667 361001341 /nfs/dbraw/zinc/00/13/41/361001341.db2.gz UDLRZBQAFBKKLN-BDAKNGLRSA-N 1 0 295.343 1.045 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000080611191 361314183 /nfs/dbraw/zinc/31/41/83/361314183.db2.gz GKLLQJZHTZACIN-CYBMUJFWSA-N 1 0 292.383 1.951 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1N[C@H](C)CN1CC[NH+](C)CC1 ZINC000301435504 201008854 /nfs/dbraw/zinc/00/88/54/201008854.db2.gz JKFHGBKVQTUNMI-CYBMUJFWSA-N 1 0 292.383 1.951 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000053202630 283681306 /nfs/dbraw/zinc/68/13/06/283681306.db2.gz WFUGNRMVCGSLRJ-JTQLQIEISA-N 1 0 263.297 1.419 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000568628943 294071847 /nfs/dbraw/zinc/07/18/47/294071847.db2.gz NABFQRHMIQAESJ-UHFFFAOYSA-N 1 0 281.312 1.333 20 5 CDBDRO CC[NH2+]CCCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000580763430 363943899 /nfs/dbraw/zinc/94/38/99/363943899.db2.gz DPNBIWPZGRIMRS-UHFFFAOYSA-N 1 0 294.355 1.436 20 5 CDBDRO CN(C)CC(C)(C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000308639200 239413685 /nfs/dbraw/zinc/41/36/85/239413685.db2.gz ZWBNQHRZEZFTQG-UHFFFAOYSA-N 1 0 281.356 1.903 20 5 CDBDRO COc1ccc(C(=O)N[C@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000295358069 364047585 /nfs/dbraw/zinc/04/75/85/364047585.db2.gz ZGOLGTFWDYKPFH-SECBINFHSA-N 1 0 281.312 1.461 20 5 CDBDRO C[N@@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000270911235 366942710 /nfs/dbraw/zinc/94/27/10/366942710.db2.gz LXHFHYMOABZIEO-UHFFFAOYSA-N 1 0 291.351 1.690 20 5 CDBDRO CC(C)OCCC[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000270591857 366906690 /nfs/dbraw/zinc/90/66/90/366906690.db2.gz SZOFAUBTTVBKGE-UHFFFAOYSA-N 1 0 297.355 1.503 20 5 CDBDRO Cc1ccc(C[N@H+](CCO)C2CC2)cc1[N+](=O)[O-] ZINC000271090257 366966631 /nfs/dbraw/zinc/96/66/31/366966631.db2.gz VTRSIMHFHJHEHC-UHFFFAOYSA-N 1 0 250.298 1.860 20 5 CDBDRO C[NH2+][C@H](C)Cc1noc(-c2cccc(OC)c2[N+](=O)[O-])n1 ZINC000414651238 241302100 /nfs/dbraw/zinc/30/21/00/241302100.db2.gz VAQLYOVBLGYNPP-MRVPVSSYSA-N 1 0 292.295 1.804 20 5 CDBDRO Cc1ccc(NC(=O)NC[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000414655192 241303597 /nfs/dbraw/zinc/30/35/97/241303597.db2.gz GTAIMKAAEGPLKW-QMMMGPOBSA-N 1 0 266.301 1.620 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000414665126 241310155 /nfs/dbraw/zinc/31/01/55/241310155.db2.gz UNVIROPTHWYNGL-GFCCVEGCSA-N 1 0 278.312 1.762 20 5 CDBDRO Cc1ccc(CNC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000414789910 241386981 /nfs/dbraw/zinc/38/69/81/241386981.db2.gz GAJZPCQSJKTCMK-LBPRGKRZSA-N 1 0 251.330 1.976 20 5 CDBDRO O=C(NCC1C[NH2+]C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000262011508 283950255 /nfs/dbraw/zinc/95/02/55/283950255.db2.gz JODZZQBGYAJUJT-UHFFFAOYSA-N 1 0 269.688 1.197 20 5 CDBDRO C[NH+](C)CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272521985 367748179 /nfs/dbraw/zinc/74/81/79/367748179.db2.gz LNPVOWQSXHQQOQ-UHFFFAOYSA-N 1 0 287.266 1.364 20 5 CDBDRO COC[C@]1(CNCc2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000414948054 370944601 /nfs/dbraw/zinc/94/46/01/370944601.db2.gz WPADGZWJTLUNLX-CQSZACIVSA-N 1 0 279.340 1.453 20 5 CDBDRO CCC[N@H+](CC(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441272670 368878938 /nfs/dbraw/zinc/87/89/38/368878938.db2.gz AOYDWPCPNRDFSF-ZDUSSCGKSA-N 1 0 284.360 1.520 20 5 CDBDRO [NH3+]C[C@H]1CCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420294023 244037736 /nfs/dbraw/zinc/03/77/36/244037736.db2.gz RZDACTILBZZTCE-LLVKDONJSA-N 1 0 292.339 1.347 20 5 CDBDRO Cc1cc(S(=O)(=O)N(C)C2CC([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420472916 244251858 /nfs/dbraw/zinc/25/18/58/244251858.db2.gz UCVUMUZUSZCOJQ-UHFFFAOYSA-N 1 0 299.352 1.013 20 5 CDBDRO Nc1c(C(=O)NC2(C[NH3+])CCCCC2)cccc1[N+](=O)[O-] ZINC001580245482 1172380907 /nfs/dbraw/zinc/38/09/07/1172380907.db2.gz XERIEALQUAGXGW-UHFFFAOYSA-N 1 0 292.339 1.568 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000420630080 244294320 /nfs/dbraw/zinc/29/43/20/244294320.db2.gz DHLWTXYCOACSJB-JTQLQIEISA-N 1 0 292.339 1.224 20 5 CDBDRO [NH3+]C[C@@]12CN(c3ncc([N+](=O)[O-])cn3)C[C@@H]1CCCC2 ZINC001580256475 1172388180 /nfs/dbraw/zinc/38/81/80/1172388180.db2.gz VGSQEPTYKXKJTB-GWCFXTLKSA-N 1 0 277.328 1.340 20 5 CDBDRO CC[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000037703220 369971663 /nfs/dbraw/zinc/97/16/63/369971663.db2.gz LNANHMVNQJBZJI-UHFFFAOYSA-N 1 0 268.269 1.256 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000295318438 369941002 /nfs/dbraw/zinc/94/10/02/369941002.db2.gz WPBGVPJFJCPGJX-SNVBAGLBSA-N 1 0 292.339 1.636 20 5 CDBDRO C[NH+](C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000170862721 369983203 /nfs/dbraw/zinc/98/32/03/369983203.db2.gz DJVCRBCESYINOI-QMMMGPOBSA-N 1 0 269.326 1.432 20 5 CDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)C[NH+](C)C ZINC000293776282 370395241 /nfs/dbraw/zinc/39/52/41/370395241.db2.gz NWHYVCDKNYIYDP-SECBINFHSA-N 1 0 280.328 1.105 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000422719422 245174892 /nfs/dbraw/zinc/17/48/92/245174892.db2.gz RDDGMNLUCILLRW-GWCFXTLKSA-N 1 0 279.340 1.820 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H](C)C[C@H](C)[NH3+] ZINC000422722665 245180367 /nfs/dbraw/zinc/18/03/67/245180367.db2.gz YKSPKDMEDKZGMG-VHSXEESVSA-N 1 0 267.329 1.819 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCCC[NH2+]C ZINC000422732371 245190448 /nfs/dbraw/zinc/19/04/48/245190448.db2.gz OEHXEBCPNYNVDH-UHFFFAOYSA-N 1 0 281.312 1.333 20 5 CDBDRO C[C@H](O)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000572512735 294638950 /nfs/dbraw/zinc/63/89/50/294638950.db2.gz DSYAIZDFRGNRFL-QMMMGPOBSA-N 1 0 258.705 1.761 20 5 CDBDRO COc1ccc(CNC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414946669 371139176 /nfs/dbraw/zinc/13/91/76/371139176.db2.gz USBBMANJXKLDIN-UHFFFAOYSA-N 1 0 279.340 1.835 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001580328137 1172403956 /nfs/dbraw/zinc/40/39/56/1172403956.db2.gz CVBDKVKTUYMFDI-GFCCVEGCSA-N 1 0 295.314 1.616 20 5 CDBDRO COCC[NH+]1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000194017574 372797778 /nfs/dbraw/zinc/79/77/78/372797778.db2.gz YZZGQJUPDHXSDV-UHFFFAOYSA-N 1 0 293.367 1.401 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCC[N@H+](C)CCOC ZINC000192494187 373609590 /nfs/dbraw/zinc/60/95/90/373609590.db2.gz QKNJYMLNWCZONR-UHFFFAOYSA-N 1 0 299.375 1.500 20 5 CDBDRO CC(C)(C)[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(N)=O ZINC000133940823 374016265 /nfs/dbraw/zinc/01/62/65/374016265.db2.gz GXHBVDUNGIWQID-UHFFFAOYSA-N 1 0 295.339 1.559 20 5 CDBDRO CCc1nn(C)c(NC[C@H]2CCC[N@H+]2CC)c1[N+](=O)[O-] ZINC000091559428 374040605 /nfs/dbraw/zinc/04/06/05/374040605.db2.gz LKGZXWVRJDFHLT-SNVBAGLBSA-N 1 0 281.360 1.787 20 5 CDBDRO C[NH2+]CCCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423719244 246000691 /nfs/dbraw/zinc/00/06/91/246000691.db2.gz DZYNNMDGNUSSJQ-UHFFFAOYSA-N 1 0 277.284 1.409 20 5 CDBDRO O=C(C[C@H]1CCC[NH2+]1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423731345 246011404 /nfs/dbraw/zinc/01/14/04/246011404.db2.gz XTYGUVQIXVHICB-MRVPVSSYSA-N 1 0 289.295 1.552 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000113515844 374260910 /nfs/dbraw/zinc/26/09/10/374260910.db2.gz XJIRWMSTDVGKFI-LBPRGKRZSA-N 1 0 263.341 1.978 20 5 CDBDRO C[C@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000311662393 374261147 /nfs/dbraw/zinc/26/11/47/374261147.db2.gz GORUHNFOZMKFHD-JTQLQIEISA-N 1 0 267.304 1.870 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417146149 374246268 /nfs/dbraw/zinc/24/62/68/374246268.db2.gz XSVNTAVTPMYZAU-UWVGGRQHSA-N 1 0 280.328 1.692 20 5 CDBDRO Cc1nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ncc1[N+](=O)[O-] ZINC000296116784 374287011 /nfs/dbraw/zinc/28/70/11/374287011.db2.gz VRQIEJYCJWIMAM-FGWVZKOKSA-N 1 0 277.328 1.730 20 5 CDBDRO NC(=O)C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000368571203 374316912 /nfs/dbraw/zinc/31/69/12/374316912.db2.gz DGIILAKENVXQTL-JTQLQIEISA-N 1 0 281.287 1.431 20 5 CDBDRO CC[C@@H](O)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000421853203 374338837 /nfs/dbraw/zinc/33/88/37/374338837.db2.gz IRZVOUYQZVCFLI-GXFFZTMASA-N 1 0 295.339 1.672 20 5 CDBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000299085967 374381560 /nfs/dbraw/zinc/38/15/60/374381560.db2.gz GALWXJHEQSPAJG-VIFPVBQESA-N 1 0 278.312 1.137 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)CC[NH3+] ZINC000423507906 374385140 /nfs/dbraw/zinc/38/51/40/374385140.db2.gz ISCZBQUZZAKFSI-JTQLQIEISA-N 1 0 279.340 1.987 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH3+])CCC2)c1 ZINC000423507711 374385194 /nfs/dbraw/zinc/38/51/94/374385194.db2.gz KAMHKATWJWTSRO-UHFFFAOYSA-N 1 0 293.323 1.605 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CNCCN1C ZINC000423507178 374385778 /nfs/dbraw/zinc/38/57/78/374385778.db2.gz HTFBPFRNYOUJMQ-GXTWGEPZSA-N 1 0 292.383 1.019 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1COCCO1 ZINC000531683918 374505917 /nfs/dbraw/zinc/50/59/17/374505917.db2.gz NURAUPFGOBXAOG-YPMHNXCESA-N 1 0 280.324 1.969 20 5 CDBDRO C[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000081589430 374526969 /nfs/dbraw/zinc/52/69/69/374526969.db2.gz RGGSVWWUCYRUTR-VIFPVBQESA-N 1 0 275.312 1.900 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)[C@@H]2CCCO2)c(F)c1 ZINC000447911969 374721174 /nfs/dbraw/zinc/72/11/74/374721174.db2.gz IZWSDTSBAPRRLF-OLZOCXBDSA-N 1 0 284.287 1.363 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000277203605 374778222 /nfs/dbraw/zinc/77/82/22/374778222.db2.gz PWGAYGAGLLBOED-JTQLQIEISA-N 1 0 265.317 1.305 20 5 CDBDRO C[C@@H]([NH3+])CCC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000277482431 374790271 /nfs/dbraw/zinc/79/02/71/374790271.db2.gz MKYDNNCTCKYRJA-MRVPVSSYSA-N 1 0 285.731 1.992 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC1=CC[N@H+](C)CC1 ZINC000280814930 375024950 /nfs/dbraw/zinc/02/49/50/375024950.db2.gz XJWQHCOMEIDMPV-UHFFFAOYSA-N 1 0 279.344 1.793 20 5 CDBDRO COCCC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000299269675 375139371 /nfs/dbraw/zinc/13/93/71/375139371.db2.gz MTRYAUPTOLARGI-UHFFFAOYSA-N 1 0 268.313 1.942 20 5 CDBDRO CCCN(CCn1ccc([N+](=O)[O-])n1)CC[NH+]1CCCC1 ZINC000352871834 375548880 /nfs/dbraw/zinc/54/88/80/375548880.db2.gz CGGOQFYNPOQTAA-UHFFFAOYSA-N 1 0 295.387 1.599 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC[NH+](C)C ZINC000163218578 375641100 /nfs/dbraw/zinc/64/11/00/375641100.db2.gz DDLFNYJUTURXDF-UHFFFAOYSA-N 1 0 280.328 1.929 20 5 CDBDRO [NH3+]CC[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(F)F ZINC000383452498 375707455 /nfs/dbraw/zinc/70/74/55/375707455.db2.gz HVZVQTFCRRNXHC-VIFPVBQESA-N 1 0 287.266 1.236 20 5 CDBDRO CC(C)OCCCN(C)Cc1c([N+](=O)[O-])ncn1C ZINC000355345634 375791967 /nfs/dbraw/zinc/79/19/67/375791967.db2.gz TWNSPJYDYJXBEK-UHFFFAOYSA-N 1 0 270.333 1.575 20 5 CDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000357064871 375881835 /nfs/dbraw/zinc/88/18/35/375881835.db2.gz JREOIKJIRWOQNM-CHWSQXEVSA-N 1 0 293.367 1.998 20 5 CDBDRO CCOc1cc(NC[C@@]2(O)CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000358306899 375960062 /nfs/dbraw/zinc/96/00/62/375960062.db2.gz NKWYPHUJRJSBOV-AWEZNQCLSA-N 1 0 295.339 1.472 20 5 CDBDRO [NH3+]CCCc1cn(Cc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000229837866 375960727 /nfs/dbraw/zinc/96/07/27/375960727.db2.gz QZPLNUXMNIJELB-UHFFFAOYSA-N 1 0 295.730 1.779 20 5 CDBDRO CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000058233431 376027217 /nfs/dbraw/zinc/02/72/17/376027217.db2.gz FVHWKMRKQZSEPI-LVDDQXARSA-N 1 0 275.308 1.428 20 5 CDBDRO C[C@@H](NC(=O)C[C@H]1COCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000130273265 376557082 /nfs/dbraw/zinc/55/70/82/376557082.db2.gz ZLWSITUGYUGYPX-PWSUYJOCSA-N 1 0 293.323 1.151 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000189305417 377228973 /nfs/dbraw/zinc/22/89/73/377228973.db2.gz IMXCNIRWEKIWBF-GZMMTYOYSA-N 1 0 281.287 1.604 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000189305460 377229108 /nfs/dbraw/zinc/22/91/08/377229108.db2.gz IMXCNIRWEKIWBF-KWQFWETISA-N 1 0 281.287 1.604 20 5 CDBDRO C[NH+](C)C[C@](C)(O)CNc1c(F)cccc1[N+](=O)[O-] ZINC000286346675 377891681 /nfs/dbraw/zinc/89/16/81/377891681.db2.gz WGAFPLGBJMBDEW-GFCCVEGCSA-N 1 0 271.292 1.458 20 5 CDBDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000443332463 250023869 /nfs/dbraw/zinc/02/38/69/250023869.db2.gz HSYFZBQSPODMIG-GRYCIOLGSA-N 1 0 282.344 1.273 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH3+])CC1 ZINC000041031552 379291418 /nfs/dbraw/zinc/29/14/18/379291418.db2.gz RIVVVLAOGIZROD-UHFFFAOYSA-N 1 0 263.297 1.467 20 5 CDBDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267036261 379637280 /nfs/dbraw/zinc/63/72/80/379637280.db2.gz CEGCWWQPIDATTI-QWRGUYRKSA-N 1 0 268.317 1.027 20 5 CDBDRO Cc1cnc(NC[C@H]2CCC[N@@H+]2CCCO)c([N+](=O)[O-])c1 ZINC000450600032 251361173 /nfs/dbraw/zinc/36/11/73/251361173.db2.gz UWMXEWHHSLGKKF-GFCCVEGCSA-N 1 0 294.355 1.557 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)c1 ZINC000451595137 251764982 /nfs/dbraw/zinc/76/49/82/251764982.db2.gz BVWQMVMOLUEQEO-ZIAGYGMSSA-N 1 0 294.355 1.178 20 5 CDBDRO O=[N+]([O-])c1cccnc1N[C@H](CO)C[NH+]1CCCCC1 ZINC000288845193 197178294 /nfs/dbraw/zinc/17/82/94/197178294.db2.gz CVSDGDLKYUOIJV-NSHDSACASA-N 1 0 280.328 1.249 20 5 CDBDRO CCO[C@H]1C[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000451471853 390625584 /nfs/dbraw/zinc/62/55/84/390625584.db2.gz JCQLSFMMWAHKKS-RYUDHWBXSA-N 1 0 294.355 1.729 20 5 CDBDRO Cc1cnc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000261605198 390660256 /nfs/dbraw/zinc/66/02/56/390660256.db2.gz REXHDURKHCJCOM-QWRGUYRKSA-N 1 0 262.313 1.344 20 5 CDBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1F)C1CC1 ZINC000413123489 391162701 /nfs/dbraw/zinc/16/27/01/391162701.db2.gz MIQMVSCXCGVSDH-NSHDSACASA-N 1 0 268.292 1.881 20 5 CDBDRO [NH3+]C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])C1CCCC1 ZINC000415391272 391396678 /nfs/dbraw/zinc/39/66/78/391396678.db2.gz VZUOWLZICRHHMO-NSHDSACASA-N 1 0 293.327 1.051 20 5 CDBDRO COc1ccc(NC(=O)N2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000415451991 391458701 /nfs/dbraw/zinc/45/87/01/391458701.db2.gz XTGRVRVVTIDVEE-VIFPVBQESA-N 1 0 294.311 1.429 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000415586840 391467842 /nfs/dbraw/zinc/46/78/42/391467842.db2.gz WAMAMLVZVAAKIN-JTQLQIEISA-N 1 0 278.312 1.695 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000415493919 391467887 /nfs/dbraw/zinc/46/78/87/391467887.db2.gz DJDBOOXDZHEGBK-VIFPVBQESA-N 1 0 294.311 1.477 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000415633356 391470333 /nfs/dbraw/zinc/47/03/33/391470333.db2.gz QQGGXTQEMQFAFX-LLVKDONJSA-N 1 0 282.275 1.593 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415636792 391470418 /nfs/dbraw/zinc/47/04/18/391470418.db2.gz YPARWSAFDJMHQT-NSHDSACASA-N 1 0 296.302 1.996 20 5 CDBDRO CC(C)(C)[NH2+]CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000439490330 391651112 /nfs/dbraw/zinc/65/11/12/391651112.db2.gz HDQAFQZKDSHRRJ-UHFFFAOYSA-N 1 0 283.303 1.852 20 5 CDBDRO COc1ccc(NC(=O)C2(C)C[NH2+]C2)cc1[N+](=O)[O-] ZINC000399205216 391655515 /nfs/dbraw/zinc/65/55/15/391655515.db2.gz PEMHNMVGGRCAND-UHFFFAOYSA-N 1 0 265.269 1.151 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H](C[NH+](C)C)C1 ZINC000192593779 391706924 /nfs/dbraw/zinc/70/69/24/391706924.db2.gz SJXRZIGXAOTTQR-NSHDSACASA-N 1 0 281.360 1.508 20 5 CDBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(c1ncc([N+](=O)[O-])s1)C2 ZINC000190332192 130091284 /nfs/dbraw/zinc/09/12/84/130091284.db2.gz MLHDDIOZDRKRMC-DTWKUNHWSA-N 1 0 268.342 1.724 20 5 CDBDRO C[C@@H]1[C@H](O)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000590762306 391921909 /nfs/dbraw/zinc/92/19/09/391921909.db2.gz QACFDOBQNGRKJI-ZWNOBZJWSA-N 1 0 266.297 1.429 20 5 CDBDRO C[C@H]([NH2+]C[C@H]1CN(C)C(=O)O1)c1ccc([N+](=O)[O-])cc1 ZINC000496846447 391927917 /nfs/dbraw/zinc/92/79/17/391927917.db2.gz LMQKCTHEDGAJCF-CABZTGNLSA-N 1 0 279.296 1.696 20 5 CDBDRO CC1(C)C[NH2+][C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000591675125 391980977 /nfs/dbraw/zinc/98/09/77/391980977.db2.gz SXJYQPBPFLGYGX-NSHDSACASA-N 1 0 263.297 1.209 20 5 CDBDRO Cc1sc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000193559319 130632943 /nfs/dbraw/zinc/63/29/43/130632943.db2.gz DHQXAQRLJUAYQN-CBAPKCEASA-N 1 0 283.353 1.835 20 5 CDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000237439466 131030890 /nfs/dbraw/zinc/03/08/90/131030890.db2.gz IXNBLQXOBZLQRE-VHSXEESVSA-N 1 0 297.380 1.881 20 5 CDBDRO C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000248962004 131119980 /nfs/dbraw/zinc/11/99/80/131119980.db2.gz RCWCPIRHAWWVRJ-RISCZKNCSA-N 1 0 264.325 1.840 20 5 CDBDRO Cc1c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000261739841 131165974 /nfs/dbraw/zinc/16/59/74/131165974.db2.gz RZTDJCQFWFOLMF-RYUDHWBXSA-N 1 0 289.335 1.585 20 5 CDBDRO CCc1ccc(C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262739776 131257467 /nfs/dbraw/zinc/25/74/67/131257467.db2.gz DMVHEIIMDPOANI-QWRGUYRKSA-N 1 0 291.351 1.980 20 5 CDBDRO CCc1ccc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000262778977 131261035 /nfs/dbraw/zinc/26/10/35/131261035.db2.gz LZZJQQBWFOYLPP-GWCFXTLKSA-N 1 0 291.351 1.885 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000262804501 131263234 /nfs/dbraw/zinc/26/32/34/131263234.db2.gz OEOMEXBSXBIFNP-MWLCHTKSSA-N 1 0 292.339 1.213 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[NH2+]1 ZINC000262821769 131264571 /nfs/dbraw/zinc/26/45/71/131264571.db2.gz GVBBOXPKRJKSOR-VXNVDRBHSA-N 1 0 296.302 1.186 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000262979683 131277558 /nfs/dbraw/zinc/27/75/58/131277558.db2.gz YPBBZQYGKDYWCY-QWRGUYRKSA-N 1 0 293.323 1.230 20 5 CDBDRO O=C1C[C@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CN1 ZINC000595403080 392565678 /nfs/dbraw/zinc/56/56/78/392565678.db2.gz AXQGOSIDYDENOR-LBPRGKRZSA-N 1 0 289.335 1.695 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000549641522 392597726 /nfs/dbraw/zinc/59/77/26/392597726.db2.gz POBYSFNDBZSJOE-SNVBAGLBSA-N 1 0 250.302 1.520 20 5 CDBDRO CC[C@@H](C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000419218007 392886905 /nfs/dbraw/zinc/88/69/05/392886905.db2.gz FKLVAWKFUWXVBY-AAEUAGOBSA-N 1 0 294.355 1.901 20 5 CDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[C@H]1CCC[NH2+]1 ZINC000420243272 392912277 /nfs/dbraw/zinc/91/22/77/392912277.db2.gz WNUHXCJPKYRYDY-SNVBAGLBSA-N 1 0 292.339 1.508 20 5 CDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]1 ZINC000417759047 392874074 /nfs/dbraw/zinc/87/40/74/392874074.db2.gz DCXLYHLCCKBWSI-LBPRGKRZSA-N 1 0 292.339 1.189 20 5 CDBDRO C[NH2+]CCN(C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417842038 392874314 /nfs/dbraw/zinc/87/43/14/392874314.db2.gz GJJWJRZGWMGYQN-NSHDSACASA-N 1 0 294.355 1.825 20 5 CDBDRO Cc1cnc(NCCN2CCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000525190771 392922442 /nfs/dbraw/zinc/92/24/42/392922442.db2.gz AOCIQEJRTLTREW-NSHDSACASA-N 1 0 280.328 1.431 20 5 CDBDRO COc1cc(C(=O)N(C)[C@H](C)C[NH3+])cc([N+](=O)[O-])c1OC ZINC000269184386 132126868 /nfs/dbraw/zinc/12/68/68/132126868.db2.gz FOGKQKGEPXPVDM-MRVPVSSYSA-N 1 0 297.311 1.031 20 5 CDBDRO Cc1cc(C(=O)NC[C@H]([NH3+])C(C)C)c(N)c([N+](=O)[O-])c1 ZINC000269279851 132148253 /nfs/dbraw/zinc/14/82/53/132148253.db2.gz QBBRJOWGTRYZCO-JTQLQIEISA-N 1 0 280.328 1.199 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000269301978 132152292 /nfs/dbraw/zinc/15/22/92/132152292.db2.gz XTFCTQHSSLMFDF-JTQLQIEISA-N 1 0 291.311 1.184 20 5 CDBDRO CC[NH2+]CCN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423235844 392960584 /nfs/dbraw/zinc/96/05/84/392960584.db2.gz BLIFJWMSVHRWFY-VXGBXAGGSA-N 1 0 281.360 1.474 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000423671900 392965949 /nfs/dbraw/zinc/96/59/49/392965949.db2.gz CVBVBIQQTOKEPS-JTQLQIEISA-N 1 0 281.312 1.379 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N(C1CC1)C1CC[NH2+]CC1 ZINC000370788858 392968554 /nfs/dbraw/zinc/96/85/54/392968554.db2.gz SPLLSDFSXWEQOC-UHFFFAOYSA-N 1 0 289.335 1.951 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]([NH3+])C1 ZINC000430618644 393102511 /nfs/dbraw/zinc/10/25/11/393102511.db2.gz VYCLTZDXVCAOCC-NSHDSACASA-N 1 0 292.339 1.265 20 5 CDBDRO C[NH2+][C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430627130 393102768 /nfs/dbraw/zinc/10/27/68/393102768.db2.gz SUMJHRWOVMNUCA-LBPRGKRZSA-N 1 0 292.339 1.217 20 5 CDBDRO C[C@H](Cn1cncn1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449102500 393128976 /nfs/dbraw/zinc/12/89/76/393128976.db2.gz YTPDDXUMLNOSHF-NWDGAFQWSA-N 1 0 289.339 1.796 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000449584941 393136081 /nfs/dbraw/zinc/13/60/81/393136081.db2.gz DXVKAEZZSYXBLY-UWVGGRQHSA-N 1 0 265.313 1.379 20 5 CDBDRO [NH3+]CCCCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493652318 393217103 /nfs/dbraw/zinc/21/71/03/393217103.db2.gz LXEKWHSIABVSFC-XQRVVYSFSA-N 1 0 281.287 1.602 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000493854993 393223446 /nfs/dbraw/zinc/22/34/46/393223446.db2.gz NKDMGBNZOZICAR-YJNCBDGFSA-N 1 0 275.308 1.556 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCn3ccnc3C2)cs1 ZINC000494392963 393231905 /nfs/dbraw/zinc/23/19/05/393231905.db2.gz QLPAQDXFJWWVCG-SNVBAGLBSA-N 1 0 278.337 1.957 20 5 CDBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CC(C)(C)O ZINC000275623401 135110793 /nfs/dbraw/zinc/11/07/93/135110793.db2.gz VDPMZCXDYQGZEW-LBPRGKRZSA-N 1 0 293.367 1.876 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC([NH3+])CC1 ZINC000131915671 139844713 /nfs/dbraw/zinc/84/47/13/139844713.db2.gz FYDRCPYHTDWNOX-UHFFFAOYSA-N 1 0 293.323 1.603 20 5 CDBDRO [NH3+][C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000135569396 139887572 /nfs/dbraw/zinc/88/75/72/139887572.db2.gz QNTVCXMGCZPBRD-JTQLQIEISA-N 1 0 267.260 1.201 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N(C)CC(C)(C)C[NH3+])n1 ZINC000162871219 139917056 /nfs/dbraw/zinc/91/70/56/139917056.db2.gz VOSPCMOLBXYVBZ-UHFFFAOYSA-N 1 0 252.318 1.719 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000216117601 140162460 /nfs/dbraw/zinc/16/24/60/140162460.db2.gz NKTWSMKORNRXHX-NXEZZACHSA-N 1 0 278.312 1.796 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2C[C@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000221369390 140169375 /nfs/dbraw/zinc/16/93/75/140169375.db2.gz WGSWJOXCIDCTKV-TZMCWYRMSA-N 1 0 261.325 1.779 20 5 CDBDRO CNc1c(C(=O)NC[C@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000231523208 140215781 /nfs/dbraw/zinc/21/57/81/140215781.db2.gz RMXSVNLXNCHRDH-SNVBAGLBSA-N 1 0 292.339 1.461 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000236051828 140239289 /nfs/dbraw/zinc/23/92/89/140239289.db2.gz XLLFVQWGKSYQKE-SSDOTTSWSA-N 1 0 256.693 1.807 20 5 CDBDRO O=[N+]([O-])c1cc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)cs1 ZINC000261586895 140357065 /nfs/dbraw/zinc/35/70/65/140357065.db2.gz URLWJEXSFNKWGJ-MNOVXSKESA-N 1 0 267.354 1.840 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000261596914 140359865 /nfs/dbraw/zinc/35/98/65/140359865.db2.gz WXXDTHIMZBQAOR-LBPRGKRZSA-N 1 0 279.340 1.627 20 5 CDBDRO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000261602056 140360714 /nfs/dbraw/zinc/36/07/14/140360714.db2.gz QHDJNZLDQXMFMD-KCJUWKMLSA-N 1 0 264.285 1.548 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000261697552 140376766 /nfs/dbraw/zinc/37/67/66/140376766.db2.gz CMDMVMMGUMMSHT-NXEZZACHSA-N 1 0 265.313 1.818 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261798969 140390395 /nfs/dbraw/zinc/39/03/95/140390395.db2.gz YNIWJGJDSLXOJZ-GXFFZTMASA-N 1 0 290.323 1.811 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000101952814 147141153 /nfs/dbraw/zinc/14/11/53/147141153.db2.gz CJSKZDVKUNOJRA-UHFFFAOYSA-N 1 0 283.303 1.804 20 5 CDBDRO Nc1ccc(C(=O)N2CCCC[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000285868187 397735887 /nfs/dbraw/zinc/73/58/87/397735887.db2.gz BIBGUNAGUALHNI-NSHDSACASA-N 1 0 292.339 1.521 20 5 CDBDRO Cc1c(C[N@@H+](C[C@@H](O)CO)C(C)C)cccc1[N+](=O)[O-] ZINC000421005956 397901261 /nfs/dbraw/zinc/90/12/61/397901261.db2.gz VNRAKQXFWMLBBH-CYBMUJFWSA-N 1 0 282.340 1.467 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000135223006 397910233 /nfs/dbraw/zinc/91/02/33/397910233.db2.gz KLALKYKUOBXFJV-SNVBAGLBSA-N 1 0 263.297 1.324 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)C(C)C ZINC000101953160 147142196 /nfs/dbraw/zinc/14/21/96/147142196.db2.gz JIKADYFVEAAZSH-UHFFFAOYSA-N 1 0 279.340 1.973 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)C[NH+](C)C)n1 ZINC000343798820 152306512 /nfs/dbraw/zinc/30/65/12/152306512.db2.gz WPLANEXSZCLHRA-JTQLQIEISA-N 1 0 252.318 1.969 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]([NH3+])C1 ZINC000346099574 153052123 /nfs/dbraw/zinc/05/21/23/153052123.db2.gz SAXIEILGGOBLSX-LLVKDONJSA-N 1 0 292.339 1.265 20 5 CDBDRO C[NH2+][C@@H]1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000346688832 153274655 /nfs/dbraw/zinc/27/46/55/153274655.db2.gz OYPBCWSKRVPRMY-LLVKDONJSA-N 1 0 295.339 1.406 20 5 CDBDRO C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccon1 ZINC000349235014 154070942 /nfs/dbraw/zinc/07/09/42/154070942.db2.gz FOQQCRTZCHGWAQ-MRVPVSSYSA-N 1 0 290.279 1.533 20 5 CDBDRO COC[C@@H]([NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000354069133 156251016 /nfs/dbraw/zinc/25/10/16/156251016.db2.gz XZBVTHVDKDGFLM-CYBMUJFWSA-N 1 0 295.339 1.007 20 5 CDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000359210792 158164152 /nfs/dbraw/zinc/16/41/52/158164152.db2.gz BSAVBKYDMMDHCQ-CYBMUJFWSA-N 1 0 291.351 1.738 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359472440 158257183 /nfs/dbraw/zinc/25/71/83/158257183.db2.gz LSURVESSMXGPPC-RDJPRVRMSA-N 1 0 273.336 1.759 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)n1 ZINC000372154812 160085775 /nfs/dbraw/zinc/08/57/75/160085775.db2.gz IBRZFNMYDZBNDT-RYUDHWBXSA-N 1 0 280.328 1.150 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](C2CC2)C1 ZINC000372335485 160107424 /nfs/dbraw/zinc/10/74/24/160107424.db2.gz XCXLUQPSAWSFBG-LBPRGKRZSA-N 1 0 277.324 1.488 20 5 CDBDRO C[C@@H]1CC[C@@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)O1 ZINC000373221777 160182693 /nfs/dbraw/zinc/18/26/93/160182693.db2.gz VBYDGXLFCOXCRA-YPMHNXCESA-N 1 0 294.355 1.996 20 5 CDBDRO C[C@@H]1CC[C@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)O1 ZINC000373221774 160183188 /nfs/dbraw/zinc/18/31/88/160183188.db2.gz VBYDGXLFCOXCRA-DGCLKSJQSA-N 1 0 294.355 1.996 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000374401638 160283023 /nfs/dbraw/zinc/28/30/23/160283023.db2.gz RFWJIVIZDOWYLT-VXGBXAGGSA-N 1 0 280.328 1.150 20 5 CDBDRO Cc1ccc(S(=O)(=O)N2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000021500660 171304951 /nfs/dbraw/zinc/30/49/51/171304951.db2.gz ZNEDIEKPDKQCRP-UHFFFAOYSA-N 1 0 299.352 1.015 20 5 CDBDRO CN1CCO[C@@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000284869549 196147747 /nfs/dbraw/zinc/14/77/47/196147747.db2.gz SKRIDBIUIAFQTD-HUUCEWRRSA-N 1 0 291.351 1.500 20 5 CDBDRO [NH3+]C1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000033440674 171800770 /nfs/dbraw/zinc/80/07/70/171800770.db2.gz BIWLRMSTKJADOL-SNAWJCMRSA-N 1 0 275.308 1.558 20 5 CDBDRO CCC[C@@]1([NH2+]CCn2ccc([N+](=O)[O-])n2)CCOC1 ZINC000285608049 196341731 /nfs/dbraw/zinc/34/17/31/196341731.db2.gz PYKDBPAVKSJOOS-GFCCVEGCSA-N 1 0 268.317 1.340 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000037273376 173085844 /nfs/dbraw/zinc/08/58/44/173085844.db2.gz BGRITAQOOGHEOK-ZDUSSCGKSA-N 1 0 293.367 1.714 20 5 CDBDRO CC[NH+]1CCC(NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000038108375 174122367 /nfs/dbraw/zinc/12/23/67/174122367.db2.gz JFRUHFOHXBMQPN-UHFFFAOYSA-N 1 0 295.314 1.948 20 5 CDBDRO CC(C)[NH+](CCNc1ncc([N+](=O)[O-])cn1)C(C)C ZINC000040454348 174266909 /nfs/dbraw/zinc/26/69/09/174266909.db2.gz RJCLASVITVNMJC-UHFFFAOYSA-N 1 0 267.333 1.916 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000040623759 174355856 /nfs/dbraw/zinc/35/58/56/174355856.db2.gz KOWCGONNLGQQIU-JTQLQIEISA-N 1 0 265.317 1.527 20 5 CDBDRO O=C(C[C@H]1CCC[NH2+]1)NCc1ccc([N+](=O)[O-])cc1 ZINC000042168064 174649636 /nfs/dbraw/zinc/64/96/36/174649636.db2.gz GLJIEQRKTDYQGT-LLVKDONJSA-N 1 0 263.297 1.353 20 5 CDBDRO NC(=O)c1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000044411811 175172070 /nfs/dbraw/zinc/17/20/70/175172070.db2.gz QRSJXUXWFWLSAL-SNVBAGLBSA-N 1 0 290.323 1.342 20 5 CDBDRO Cc1c(CNC(=O)N[C@@H](C)CC[NH3+])cccc1[N+](=O)[O-] ZINC000418079265 228013351 /nfs/dbraw/zinc/01/33/51/228013351.db2.gz KRCVKNZQLQZYNB-VIFPVBQESA-N 1 0 280.328 1.440 20 5 CDBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCC1 ZINC000072722565 260278461 /nfs/dbraw/zinc/27/84/61/260278461.db2.gz NAJBWCDAUILSRQ-UHFFFAOYSA-N 1 0 289.335 1.968 20 5 CDBDRO CN1CC[NH2+]C[C@@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000394777762 270338946 /nfs/dbraw/zinc/33/89/46/270338946.db2.gz INUSUGBVSJFJFK-SNVBAGLBSA-N 1 0 284.747 1.564 20 5 CDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000514795734 270409848 /nfs/dbraw/zinc/40/98/48/270409848.db2.gz CXCBOLVMPRDZGU-CHWSQXEVSA-N 1 0 280.324 1.723 20 5 CDBDRO C[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000132327833 274293229 /nfs/dbraw/zinc/29/32/29/274293229.db2.gz AWUZRNJQCRRSEM-SNVBAGLBSA-N 1 0 251.286 1.241 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000216224237 274385536 /nfs/dbraw/zinc/38/55/36/274385536.db2.gz FVDQUZMVKYZXIT-SFYZADRCSA-N 1 0 270.720 1.817 20 5 CDBDRO Cc1c(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000038049766 274660017 /nfs/dbraw/zinc/66/00/17/274660017.db2.gz UQVVGYVKJPMLRT-VXGBXAGGSA-N 1 0 277.324 1.903 20 5 CDBDRO COC(=O)[C@@H](C)C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000050069481 277074531 /nfs/dbraw/zinc/07/45/31/277074531.db2.gz RWVGSAOSACBMDQ-NSHDSACASA-N 1 0 280.324 1.878 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000422708850 277300997 /nfs/dbraw/zinc/30/09/97/277300997.db2.gz JQBLEZDGFDHYLJ-LBPRGKRZSA-N 1 0 291.351 1.954 20 5 CDBDRO CNc1c(C(=O)NC2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000161432780 277301278 /nfs/dbraw/zinc/30/12/78/277301278.db2.gz BMJALBUAWCZJKJ-UHFFFAOYSA-N 1 0 292.339 1.461 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269200955 278247228 /nfs/dbraw/zinc/24/72/28/278247228.db2.gz KHCFAPKWEZQLMV-QMMMGPOBSA-N 1 0 277.280 1.760 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000261627118 278571331 /nfs/dbraw/zinc/57/13/31/278571331.db2.gz HHPQGESYRCCWNV-KKFJDGPESA-N 1 0 295.314 1.850 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[NH2+]1 ZINC000269197445 278683210 /nfs/dbraw/zinc/68/32/10/278683210.db2.gz JFLUEIVBRLVADU-SECBINFHSA-N 1 0 289.291 1.775 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000090320970 279277093 /nfs/dbraw/zinc/27/70/93/279277093.db2.gz SYRLJHHCRWAYQF-TXEJJXNPSA-N 1 0 275.308 1.195 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000063192938 279417712 /nfs/dbraw/zinc/41/77/12/279417712.db2.gz JJNBJNKIMGKREL-VHSXEESVSA-N 1 0 280.328 1.275 20 5 CDBDRO [NH3+][C@@H]1CC[C@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000237995293 280196036 /nfs/dbraw/zinc/19/60/36/280196036.db2.gz ZVXPPIMQRJQIMV-WDEREUQCSA-N 1 0 292.339 1.250 20 5 CDBDRO Cc1c(C(=O)NCC[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000063170237 280214659 /nfs/dbraw/zinc/21/46/59/280214659.db2.gz FCVXXFCTQGQXHW-QMMMGPOBSA-N 1 0 251.286 1.370 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000420277531 280399373 /nfs/dbraw/zinc/39/93/73/280399373.db2.gz NBUWQRSLMOKXMM-MNOVXSKESA-N 1 0 262.313 1.405 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000261735000 281012139 /nfs/dbraw/zinc/01/21/39/281012139.db2.gz RPWFTAQQSZVUBU-ZDUSSCGKSA-N 1 0 290.367 1.387 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[NH2+]CC[C@H]3C2)n1 ZINC000261587533 281013564 /nfs/dbraw/zinc/01/35/64/281013564.db2.gz JNWDZFCMVIDQBJ-QWRGUYRKSA-N 1 0 262.313 1.486 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000562976305 293231037 /nfs/dbraw/zinc/23/10/37/293231037.db2.gz SXKXXKHTHZIVKV-SNVBAGLBSA-N 1 0 295.339 1.707 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)[C@H]1CCOC1 ZINC000565218823 293566152 /nfs/dbraw/zinc/56/61/52/293566152.db2.gz RULJTNMFJKXJRP-VZJVUDMVSA-N 1 0 292.335 1.569 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000565941182 293715133 /nfs/dbraw/zinc/71/51/33/293715133.db2.gz QTEILKUHMDAIMI-LBPRGKRZSA-N 1 0 280.328 1.377 20 5 CDBDRO C[NH2+]CCSCCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000567382567 293773256 /nfs/dbraw/zinc/77/32/56/293773256.db2.gz LDZKZLVAMYIVIT-UHFFFAOYSA-N 1 0 286.353 1.935 20 5 CDBDRO CC1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000571158566 294378493 /nfs/dbraw/zinc/37/84/93/294378493.db2.gz NKKWSRWKVAEMQH-LLVKDONJSA-N 1 0 280.324 1.724 20 5 CDBDRO COC(=O)c1cc(NC(=O)CCCC[NH3+])cc([N+](=O)[O-])c1 ZINC000571165862 294380919 /nfs/dbraw/zinc/38/09/19/294380919.db2.gz PWJBHVCRVLVZHO-UHFFFAOYSA-N 1 0 295.295 1.449 20 5 CDBDRO C[NH+](C)CC(C)(C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000573803255 294889223 /nfs/dbraw/zinc/88/92/23/294889223.db2.gz HRGIVVCRGPMTSW-UHFFFAOYSA-N 1 0 294.355 1.734 20 5 CDBDRO [NH3+][C@@H]1C[C@@H]1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000424198396 295324643 /nfs/dbraw/zinc/32/46/43/295324643.db2.gz XZXXQFYUQSCBSO-NWDGAFQWSA-N 1 0 275.308 1.433 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000131921781 300413459 /nfs/dbraw/zinc/41/34/59/300413459.db2.gz DYKWLPWRHRIJTM-IUCAKERBSA-N 1 0 281.287 1.543 20 5 CDBDRO COCC[C@@](C)(O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563820011 316377671 /nfs/dbraw/zinc/37/76/71/316377671.db2.gz AXMYOCLWHXKVBV-UKRRQHHQSA-N 1 0 294.351 1.959 20 5 CDBDRO [NH3+]CCCCC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000569842925 316861472 /nfs/dbraw/zinc/86/14/72/316861472.db2.gz CDWYGLFKTLRUOK-UHFFFAOYSA-N 1 0 285.731 1.993 20 5 CDBDRO CCC[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000185850726 323398926 /nfs/dbraw/zinc/39/89/26/323398926.db2.gz YPQGWSQNBPPRQU-OCCSQVGLSA-N 1 0 296.371 1.807 20 5 CDBDRO COc1cc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000382460637 323642370 /nfs/dbraw/zinc/64/23/70/323642370.db2.gz VREYTCTVJZOUOJ-MWLCHTKSSA-N 1 0 293.323 1.461 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000383466056 323668259 /nfs/dbraw/zinc/66/82/59/323668259.db2.gz KWKNOUWQEDWKSN-SNVBAGLBSA-N 1 0 287.266 1.616 20 5 CDBDRO CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CC([NH3+])C1 ZINC000384888923 323693548 /nfs/dbraw/zinc/69/35/48/323693548.db2.gz KKVFMNDGJTUMIX-DAXSKMNVSA-N 1 0 275.308 1.556 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@H](C)O ZINC000386957682 323755479 /nfs/dbraw/zinc/75/54/79/323755479.db2.gz YFCOWLVMGDWOTH-BDAKNGLRSA-N 1 0 254.286 1.462 20 5 CDBDRO C[C@@H]1C[C@@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580423088 324457950 /nfs/dbraw/zinc/45/79/50/324457950.db2.gz DLKQZROAKFHQSY-NQBHXWOUSA-N 1 0 280.324 1.580 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH2+]C2CC2)c1 ZINC000088147668 1173896683 /nfs/dbraw/zinc/89/66/83/1173896683.db2.gz NOBIWFQXXAWAMG-UHFFFAOYSA-N 1 0 277.324 1.775 20 5 CDBDRO CC(C)C[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)[NH+](C)C ZINC000048555621 519353985 /nfs/dbraw/zinc/35/39/85/519353985.db2.gz PITAZZSDCSTITG-SECBINFHSA-N 1 0 282.348 1.355 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000148828797 522031153 /nfs/dbraw/zinc/03/11/53/522031153.db2.gz USDVVAUVZHNJTE-SECBINFHSA-N 1 0 265.313 1.489 20 5 CDBDRO COCCN(C)CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000061376730 523603309 /nfs/dbraw/zinc/60/33/09/523603309.db2.gz BJBBVNREUSBKRX-UHFFFAOYSA-N 1 0 281.356 1.571 20 5 CDBDRO COCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000061379675 523615447 /nfs/dbraw/zinc/61/54/47/523615447.db2.gz BUVATEYGJASQKB-UHFFFAOYSA-N 1 0 298.299 1.493 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000070172513 524860642 /nfs/dbraw/zinc/86/06/42/524860642.db2.gz PKRYMIXDJRMEEF-QWRGUYRKSA-N 1 0 277.324 1.794 20 5 CDBDRO COc1ccc(OCC[N@@H+]2C[C@H](O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000340934665 524956030 /nfs/dbraw/zinc/95/60/30/524956030.db2.gz WPRPKBAFPXTJNQ-WDEREUQCSA-N 1 0 296.323 1.437 20 5 CDBDRO Cc1c(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000235366237 525597079 /nfs/dbraw/zinc/59/70/79/525597079.db2.gz VDGJRHRUWSEYBI-KCJUWKMLSA-N 1 0 263.297 1.322 20 5 CDBDRO Cc1c(C[NH2+]C[C@@H]2CN(C)CCN2C)cccc1[N+](=O)[O-] ZINC000068804013 525723816 /nfs/dbraw/zinc/72/38/16/525723816.db2.gz BEBAGZMBHNTAEF-CQSZACIVSA-N 1 0 292.383 1.239 20 5 CDBDRO [NH3+]CCC1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000070187716 527169340 /nfs/dbraw/zinc/16/93/40/527169340.db2.gz BBYQBPPGJAKLKK-UHFFFAOYSA-N 1 0 283.353 1.857 20 5 CDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]12 ZINC000185038025 527371940 /nfs/dbraw/zinc/37/19/40/527371940.db2.gz VYNGCKSSQYESPV-RLCGTCKNSA-N 1 0 293.298 1.543 20 5 CDBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000069144503 527399045 /nfs/dbraw/zinc/39/90/45/527399045.db2.gz CBJCQIRXFBBAFM-LBPRGKRZSA-N 1 0 298.364 1.304 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](c3ccco3)C2)n1 ZINC000365832213 527407107 /nfs/dbraw/zinc/40/71/07/527407107.db2.gz BXEHOKKEXKDHLO-LLVKDONJSA-N 1 0 276.296 1.874 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269191903 535072030 /nfs/dbraw/zinc/07/20/30/535072030.db2.gz XUCWHVZEYIPFKQ-UHFFFAOYSA-N 1 0 277.280 1.808 20 5 CDBDRO CC[C@@H](C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)[NH+](C)C ZINC000268800980 535419062 /nfs/dbraw/zinc/41/90/62/535419062.db2.gz YKDFLIWUWAYWEV-NSHDSACASA-N 1 0 295.339 1.560 20 5 CDBDRO CC[NH2+]CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417141721 535472565 /nfs/dbraw/zinc/47/25/65/535472565.db2.gz RUTUMBICACQTNG-JTQLQIEISA-N 1 0 280.328 1.565 20 5 CDBDRO COc1ccc(C[NH2+][C@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000734160731 575160880 /nfs/dbraw/zinc/16/08/80/575160880.db2.gz FFQAHOVSRRTVFT-LLVKDONJSA-N 1 0 266.297 1.464 20 5 CDBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1(O)CCC1 ZINC000759876589 576440301 /nfs/dbraw/zinc/44/03/01/576440301.db2.gz MCIGHZHENBCFNX-ZDUSSCGKSA-N 1 0 280.324 1.475 20 5 CDBDRO COCCOC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000742377208 576596120 /nfs/dbraw/zinc/59/61/20/576596120.db2.gz OXPJSLXGBSBAKL-NSHDSACASA-N 1 0 268.313 1.736 20 5 CDBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H](CCO)C3CC3)nc2c1 ZINC000771797302 575611731 /nfs/dbraw/zinc/61/17/31/575611731.db2.gz YMMGDEFOQKBYNY-LLVKDONJSA-N 1 0 291.307 1.987 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NOC1CC[NH+](C)CC1 ZINC000773551601 575824041 /nfs/dbraw/zinc/82/40/41/575824041.db2.gz JNIVZKAUWAPEFE-UHFFFAOYSA-N 1 0 293.323 1.659 20 5 CDBDRO C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000768774546 576307665 /nfs/dbraw/zinc/30/76/65/576307665.db2.gz VESSYSFSXLBABD-XUJVJEKNSA-N 1 0 293.367 1.653 20 5 CDBDRO C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000761066851 576540553 /nfs/dbraw/zinc/54/05/53/576540553.db2.gz CXVOTYYDZZVJMZ-JTQLQIEISA-N 1 0 267.304 1.870 20 5 CDBDRO C[C@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cn1 ZINC000742428008 576602644 /nfs/dbraw/zinc/60/26/44/576602644.db2.gz XPNQVEXTBIUAQN-JTQLQIEISA-N 1 0 250.302 1.886 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCCO2)c1 ZINC000749650102 576956683 /nfs/dbraw/zinc/95/66/83/576956683.db2.gz ZKOUMEUCBWLZTE-QWHCGFSZSA-N 1 0 266.297 1.397 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000892536904 617485162 /nfs/dbraw/zinc/48/51/62/617485162.db2.gz LVFDSKFKQWJWOO-LBPRGKRZSA-N 1 0 292.339 1.407 20 5 CDBDRO CCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000981764114 614977836 /nfs/dbraw/zinc/97/78/36/614977836.db2.gz NEJCXHSPEDYURN-CHWSQXEVSA-N 1 0 295.383 1.376 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NCC1([NH+](C)C)CCC1 ZINC000893380735 617755124 /nfs/dbraw/zinc/75/51/24/617755124.db2.gz WROZSXZPHJVMEQ-UHFFFAOYSA-N 1 0 280.328 1.895 20 5 CDBDRO CC[NH+](CC)[C@H]1CCN(c2c([N+](=O)[O-])cnn2C)C1 ZINC000892730986 617672255 /nfs/dbraw/zinc/67/22/55/617672255.db2.gz UNOMAWLFZCBFIH-JTQLQIEISA-N 1 0 267.333 1.249 20 5 CDBDRO CCC[NH2+][C@@H](C)c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000843222357 617786064 /nfs/dbraw/zinc/78/60/64/617786064.db2.gz HDBFQUJXESWYBX-ZETCQYMHSA-N 1 0 280.288 1.439 20 5 CDBDRO CC(C)(CCc1noc(C[C@@H]2CCC[NH2+]2)n1)[N+](=O)[O-] ZINC000843233394 617949662 /nfs/dbraw/zinc/94/96/62/617949662.db2.gz IUYBGZOIZUWVHT-VIFPVBQESA-N 1 0 268.317 1.352 20 5 CDBDRO C[NH+](C)[C@H](CNc1ccc2nonc2c1[N+](=O)[O-])C1CC1 ZINC000892344827 617956717 /nfs/dbraw/zinc/95/67/17/617956717.db2.gz GPSBLUUNKOHZKZ-LLVKDONJSA-N 1 0 291.311 1.883 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CCC2(CCC[N@@H+]2C)CC1 ZINC000893093422 618156539 /nfs/dbraw/zinc/15/65/39/618156539.db2.gz YHEPQIFDBNECFL-UHFFFAOYSA-N 1 0 279.344 1.393 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N1CC[C@H](C[NH+](C)C)C1 ZINC000893120267 618199957 /nfs/dbraw/zinc/19/99/57/618199957.db2.gz WZRUBSHRDRROEQ-SNVBAGLBSA-N 1 0 280.328 1.386 20 5 CDBDRO C[NH2+]CCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841102553 618683119 /nfs/dbraw/zinc/68/31/19/618683119.db2.gz DLTITYPEGOGWRU-UHFFFAOYSA-N 1 0 272.692 1.589 20 5 CDBDRO Cc1cnc(N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000895246424 619491555 /nfs/dbraw/zinc/49/15/55/619491555.db2.gz OOTRGYCENRVFSG-DGCLKSJQSA-N 1 0 293.371 1.344 20 5 CDBDRO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000895317053 619548028 /nfs/dbraw/zinc/54/80/28/619548028.db2.gz LWGOWBQSTRZCLZ-NSHDSACASA-N 1 0 263.297 1.209 20 5 CDBDRO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[NH2+]1 ZINC000148063472 620242911 /nfs/dbraw/zinc/24/29/11/620242911.db2.gz OLAMAIPMMMQCMS-UHFFFAOYSA-N 1 0 253.258 1.012 20 5 CDBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNCC[N+](=O)[O-])C1 ZINC000905062207 626611121 /nfs/dbraw/zinc/61/11/21/626611121.db2.gz LFLYXCRCRMLXKU-RYUDHWBXSA-N 1 0 257.378 1.609 20 5 CDBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])Oc1cc(F)cc(F)c1 ZINC000905257319 626708999 /nfs/dbraw/zinc/70/89/99/626708999.db2.gz SVESRGYERPHWBN-UHFFFAOYSA-N 1 0 274.267 1.989 20 5 CDBDRO CSc1ccc([C@@H](C[NH2+]CC[N+](=O)[O-])N(C)C)cc1 ZINC000905271230 626727098 /nfs/dbraw/zinc/72/70/98/626727098.db2.gz AWKVPDLTCADIOB-CYBMUJFWSA-N 1 0 283.397 1.878 20 5 CDBDRO COc1cc(OC)c(C[C@H](C)[NH2+]CC[N+](=O)[O-])c(OC)c1 ZINC000905273847 626729309 /nfs/dbraw/zinc/72/93/09/626729309.db2.gz PUOJHXNRMLRWCO-JTQLQIEISA-N 1 0 298.339 1.510 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CC1([C@@H](O)c2ccccc2)CC1 ZINC000905366925 626785869 /nfs/dbraw/zinc/78/58/69/626785869.db2.gz QPQWCSBPOYQBLT-LBPRGKRZSA-N 1 0 250.298 1.367 20 5 CDBDRO [NH3+][C@@H]1CC[C@H](Cn2cc([N+](=O)[O-])c(C3CC3)n2)C1 ZINC000905734786 626953404 /nfs/dbraw/zinc/95/34/04/626953404.db2.gz URGRODNGQPRZLJ-WCBMZHEXSA-N 1 0 250.302 1.796 20 5 CDBDRO C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC12CCCCC2 ZINC000908572496 628279788 /nfs/dbraw/zinc/27/97/88/628279788.db2.gz YLFPUICADKHPQO-VXGBXAGGSA-N 1 0 281.356 1.129 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911813475 629506947 /nfs/dbraw/zinc/50/69/47/629506947.db2.gz MYTDOJOIOOKPCZ-OASPWFOLSA-N 1 0 277.324 1.504 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877105432 630616220 /nfs/dbraw/zinc/61/62/20/630616220.db2.gz PBHBKQVFEHFKGV-SNVBAGLBSA-N 1 0 265.313 1.631 20 5 CDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000915622645 631778961 /nfs/dbraw/zinc/77/89/61/631778961.db2.gz CVDZDMXBDGYHKO-ZDUSSCGKSA-N 1 0 293.367 1.840 20 5 CDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000915624255 631780184 /nfs/dbraw/zinc/78/01/84/631780184.db2.gz MWUAIJDRHSCYJL-VIFPVBQESA-N 1 0 269.301 1.504 20 5 CDBDRO CC[N+](C)(C)Cc1ccccc1-n1cnc(CN)cc1=N ZINC001167358630 1158637177 /nfs/dbraw/zinc/63/71/77/1158637177.db2.gz XMWSIXXTXTXQRZ-UHFFFAOYSA-N 1 0 286.403 1.407 20 5 CDBDRO C[NH+]1CC(CNc2cnc(Cl)cc2[N+](=O)[O-])C1 ZINC001170254169 1162326086 /nfs/dbraw/zinc/32/60/86/1162326086.db2.gz WHVVQFSQXQWZDM-UHFFFAOYSA-N 1 0 256.693 1.617 20 5 CDBDRO O=[N+]([O-])c1ccnc(N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000063201409 1162337068 /nfs/dbraw/zinc/33/70/68/1162337068.db2.gz KHZUDMUAWFFJGO-CYBMUJFWSA-N 1 0 276.340 1.958 20 5 CDBDRO COC(=O)c1cnc(N2CCC[C@H]([NH3+])[C@@H]2C)c([N+](=O)[O-])c1 ZINC001157742443 1162378626 /nfs/dbraw/zinc/37/86/26/1162378626.db2.gz QANVYFGJLDUBPC-WPRPVWTQSA-N 1 0 294.311 1.092 20 5 CDBDRO CN(CC[NH3+])CCNc1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001170502336 1162664356 /nfs/dbraw/zinc/66/43/56/1162664356.db2.gz RDQOYFJMIPMRSS-UHFFFAOYSA-N 1 0 277.328 1.379 20 5 CDBDRO Cc1c(-n2ccc(CC[NH3+])n2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001167730423 1159582111 /nfs/dbraw/zinc/58/21/11/1159582111.db2.gz JFFATFIIKDVAJQ-UHFFFAOYSA-N 1 0 291.267 1.498 20 5 CDBDRO C[C@H](Nc1c([N+](=O)[O-])cnn1C)C(C)(C)C[NH+](C)C ZINC001120025600 1161926085 /nfs/dbraw/zinc/92/60/85/1161926085.db2.gz FMPQGOVAFKHWQD-VIFPVBQESA-N 1 0 269.349 1.717 20 5 CDBDRO CN(C)c1ccc(-n2cc(CC[NH3+])cn2)c([N+](=O)[O-])c1 ZINC001168950595 1161994238 /nfs/dbraw/zinc/99/42/38/1161994238.db2.gz ZKUKLMYIWMBUNY-UHFFFAOYSA-N 1 0 275.312 1.348 20 5 CDBDRO Cc1nccn1CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967482 1161996120 /nfs/dbraw/zinc/99/61/20/1161996120.db2.gz PXOPHVBJYAADTL-NWDGAFQWSA-N 1 0 252.318 1.227 20 5 CDBDRO Cc1nccnc1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168998447 1161997184 /nfs/dbraw/zinc/99/71/84/1161997184.db2.gz NCTYOEFTHRVGIY-GHMZBOCLSA-N 1 0 250.302 1.320 20 5 CDBDRO [NH3+]Cc1cnnn1-c1ncnc2cc3ccccc3cc21 ZINC001169311246 1162003615 /nfs/dbraw/zinc/00/36/15/1162003615.db2.gz TWDGHRVXYRYWEU-UHFFFAOYSA-N 1 0 276.303 1.822 20 5 CDBDRO Nc1nc(N2C[C@@H]([NH3+])Cc3ccccc32)ccc1[N+](=O)[O-] ZINC001155300961 1167121799 /nfs/dbraw/zinc/12/17/99/1167121799.db2.gz YQFHDLZUTOSMMR-JTQLQIEISA-N 1 0 285.307 1.594 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)c(F)c1 ZINC001155522571 1167210811 /nfs/dbraw/zinc/21/08/11/1167210811.db2.gz HEHAZGRKXCTLSW-UISBYWKRSA-N 1 0 296.302 1.165 20 5 CDBDRO COc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1[N+](=O)[O-] ZINC001579260233 1172128864 /nfs/dbraw/zinc/12/88/64/1172128864.db2.gz WACXKNOQKRDKNB-MIMYLULJSA-N 1 0 291.307 1.226 20 5 CDBDRO [NH3+]CCSCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001580315198 1172401167 /nfs/dbraw/zinc/40/11/67/1172401167.db2.gz KYGLRJXRLMUEFM-UHFFFAOYSA-N 1 0 281.337 1.176 20 5 CDBDRO [NH3+]CCc1nccn1-c1ccnc2c1cccc2[N+](=O)[O-] ZINC000214807878 1176832971 /nfs/dbraw/zinc/83/29/71/1176832971.db2.gz IJLOZLXQVJTRGD-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000401270065 1186408901 /nfs/dbraw/zinc/40/89/01/1186408901.db2.gz UITSEDFXDVWOCQ-OUAUKWLOSA-N 1 0 277.324 1.806 20 5 CDBDRO CC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCN(C)C1 ZINC000311922730 1186692323 /nfs/dbraw/zinc/69/23/23/1186692323.db2.gz BZINTVIHFDDFGY-NSHDSACASA-N 1 0 264.281 1.880 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001164640913 719215284 /nfs/dbraw/zinc/21/52/84/719215284.db2.gz UDCMXAGPVXAMLG-VHSXEESVSA-N 1 0 289.339 2.000 20 5 CDBDRO CN(CC1CC[NH+](C)CC1)c1nc(Cl)ncc1[N+](=O)[O-] ZINC000234342011 721930938 /nfs/dbraw/zinc/93/09/38/721930938.db2.gz PIDDOFLWUVSORD-UHFFFAOYSA-N 1 0 299.762 1.816 20 5 CDBDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000162816006 742877984 /nfs/dbraw/zinc/87/79/84/742877984.db2.gz TUQUXGNKSJPYPM-VHSXEESVSA-N 1 0 268.288 1.937 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNc1ccnc(F)c1[N+](=O)[O-] ZINC000882958597 743096743 /nfs/dbraw/zinc/09/67/43/743096743.db2.gz FOGFQHOUQOOFLG-MRVPVSSYSA-N 1 0 254.265 1.635 20 5 CDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CC2CCC2)CC1 ZINC001005380657 743166255 /nfs/dbraw/zinc/16/62/55/743166255.db2.gz FXTQXCQSAGFSDL-ZIAGYGMSSA-N 1 0 295.383 1.375 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H](C)[NH3+] ZINC000863569251 743449868 /nfs/dbraw/zinc/44/98/68/743449868.db2.gz SFQYHPUWIYNKJI-SNVBAGLBSA-N 1 0 267.329 1.773 20 5 CDBDRO Cc1cc(NCC[C@H]2CC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000092027701 743486315 /nfs/dbraw/zinc/48/63/15/743486315.db2.gz MXDVOSDAZMAMRS-SNVBAGLBSA-N 1 0 250.302 1.710 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000091395521 745031543 /nfs/dbraw/zinc/03/15/43/745031543.db2.gz OXNDPXJBBFLCHO-LLVKDONJSA-N 1 0 295.314 1.900 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923330997 745130634 /nfs/dbraw/zinc/13/06/34/745130634.db2.gz GJRYQRNBAMCWOL-HUUCEWRRSA-N 1 0 291.351 1.314 20 5 CDBDRO C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000886829793 745153351 /nfs/dbraw/zinc/15/33/51/745153351.db2.gz HEKWEOAUJNWJAS-MWLCHTKSSA-N 1 0 250.302 1.159 20 5 CDBDRO COC[C@@H](CO)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000883107520 745161188 /nfs/dbraw/zinc/16/11/88/745161188.db2.gz AYMWQVRHSUJDQO-LLVKDONJSA-N 1 0 268.313 1.309 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000882492173 745319442 /nfs/dbraw/zinc/31/94/42/745319442.db2.gz PWJXUVQWIBOKJM-RISCZKNCSA-N 1 0 291.351 1.909 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[S@](C)=O ZINC000786816754 745322294 /nfs/dbraw/zinc/32/22/94/745322294.db2.gz WRWOVSTYQADUIA-BLRBJFNZSA-N 1 0 282.365 1.966 20 5 CDBDRO C[NH+](C)CCc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000839734488 745336467 /nfs/dbraw/zinc/33/64/67/745336467.db2.gz VLGWOLWQLZTGKI-ZIAGYGMSSA-N 1 0 291.351 1.072 20 5 CDBDRO Cc1cc(F)cc(C(=O)NC[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000237658796 745397707 /nfs/dbraw/zinc/39/77/07/745397707.db2.gz DEGOHJJUUWQNHC-SNVBAGLBSA-N 1 0 295.314 1.772 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000124083974 745545103 /nfs/dbraw/zinc/54/51/03/745545103.db2.gz WMAAHQOPGIUVSP-LLVKDONJSA-N 1 0 264.329 1.734 20 5 CDBDRO CC[NH2+][C@@H](C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000876702998 745559653 /nfs/dbraw/zinc/55/96/53/745559653.db2.gz GRNGNKHXIHODJE-QMMMGPOBSA-N 1 0 285.731 1.862 20 5 CDBDRO C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000312591502 745684901 /nfs/dbraw/zinc/68/49/01/745684901.db2.gz QBXHZXFAMMMNQY-CMPLNLGQSA-N 1 0 277.324 1.742 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000863950416 745739711 /nfs/dbraw/zinc/73/97/11/745739711.db2.gz SEOWQFMSRCBRLQ-WDNDVIMCSA-N 1 0 261.325 1.587 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)OCCC[NH+](C)C ZINC000792183927 745772001 /nfs/dbraw/zinc/77/20/01/745772001.db2.gz DVSQZCLDIVZZAG-UHFFFAOYSA-N 1 0 282.296 1.712 20 5 CDBDRO O=C(NC1CCCCC1)OC[C@H]1CCCN1CC[N+](=O)[O-] ZINC000930475433 745824171 /nfs/dbraw/zinc/82/41/71/745824171.db2.gz HBLFZEPKSSVVKH-CYBMUJFWSA-N 1 0 299.371 1.786 20 5 CDBDRO COC[C@H]1C[C@@H](O)CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000844403627 745843172 /nfs/dbraw/zinc/84/31/72/745843172.db2.gz CJLIUBGUCFAYBY-GHMZBOCLSA-N 1 0 284.287 1.316 20 5 CDBDRO Cc1nn(C[N@@H+]2CCC[C@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000779868556 745864241 /nfs/dbraw/zinc/86/42/41/745864241.db2.gz WXHQHYXLJLNREJ-ZDUSSCGKSA-N 1 0 294.355 1.948 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424029476 746030718 /nfs/dbraw/zinc/03/07/18/746030718.db2.gz PPJGGNVXCCHPCF-OAHLLOKOSA-N 1 0 289.335 1.492 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000882961834 746039864 /nfs/dbraw/zinc/03/98/64/746039864.db2.gz YZJOCMUJEUZFBT-LLVKDONJSA-N 1 0 292.339 1.461 20 5 CDBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000826676657 746041365 /nfs/dbraw/zinc/04/13/65/746041365.db2.gz BLWIUJAONLUFCZ-RYUDHWBXSA-N 1 0 285.388 1.811 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](CF)C1 ZINC000880236945 746157371 /nfs/dbraw/zinc/15/73/71/746157371.db2.gz MLXOPWVLGJEJOK-LLVKDONJSA-N 1 0 283.303 1.438 20 5 CDBDRO [NH3+]CCCCCCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000843507353 746179080 /nfs/dbraw/zinc/17/90/80/746179080.db2.gz WURBPGLCBWHJMX-UHFFFAOYSA-N 1 0 295.339 1.609 20 5 CDBDRO CC(C)(CCc1noc([C@H]2CC23CC[NH2+]CC3)n1)[N+](=O)[O-] ZINC000843234093 746223776 /nfs/dbraw/zinc/22/37/76/746223776.db2.gz QKLPNRRTNKLXMC-SNVBAGLBSA-N 1 0 294.355 1.915 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)C2CCC2)c1 ZINC000843118521 746306012 /nfs/dbraw/zinc/30/60/12/746306012.db2.gz KAWCRFMQCUSBTM-ZIAGYGMSSA-N 1 0 280.324 1.379 20 5 CDBDRO CC(C)(CCc1noc(CNC[C@H]2CCCO2)n1)[N+](=O)[O-] ZINC000843234560 746312477 /nfs/dbraw/zinc/31/24/77/746312477.db2.gz VJROTRIZEAXGQV-SNVBAGLBSA-N 1 0 298.343 1.326 20 5 CDBDRO C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000086468400 746384435 /nfs/dbraw/zinc/38/44/35/746384435.db2.gz LNSBSXVUKOCTFR-UWVGGRQHSA-N 1 0 278.312 1.809 20 5 CDBDRO Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c([N+](=O)[O-])c1 ZINC000858562848 746409501 /nfs/dbraw/zinc/40/95/01/746409501.db2.gz QFDVGBGNWLHDOE-YABSGUDNSA-N 1 0 261.325 1.899 20 5 CDBDRO C[C@H](C[C@H](C)O)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000228114629 746512411 /nfs/dbraw/zinc/51/24/11/746512411.db2.gz QDEGQAAWFSJMBC-GBIKHYSHSA-N 1 0 268.313 1.377 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[C@H]1CC[NH2+]C1 ZINC000091549367 746531997 /nfs/dbraw/zinc/53/19/97/746531997.db2.gz BDFXNFQRSJMDER-SNVBAGLBSA-N 1 0 267.333 1.531 20 5 CDBDRO CC(C)C1(O)CN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000089677080 746664537 /nfs/dbraw/zinc/66/45/37/746664537.db2.gz RIGVQIWSQWKMEM-UHFFFAOYSA-N 1 0 264.325 1.840 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1nncn1C ZINC000866229812 746766599 /nfs/dbraw/zinc/76/65/99/746766599.db2.gz VCSRLBHKYLFMRO-SECBINFHSA-N 1 0 293.302 1.583 20 5 CDBDRO [NH3+][C@H]1C[C@@H](c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)C1 ZINC000843191737 746785450 /nfs/dbraw/zinc/78/54/50/746785450.db2.gz LLBZICCAUZNMOG-OCAPTIKFSA-N 1 0 275.268 1.168 20 5 CDBDRO C[NH+](C)C1(CNc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865881749 746870407 /nfs/dbraw/zinc/87/04/07/746870407.db2.gz FFLKCCOSYCXXPO-UHFFFAOYSA-N 1 0 283.303 1.732 20 5 CDBDRO C[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000819010426 746904789 /nfs/dbraw/zinc/90/47/89/746904789.db2.gz DBTPEOFZELYPBH-ABAIWWIYSA-N 1 0 293.367 1.701 20 5 CDBDRO Cc1ccc(CN2CC[C@H](CO)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000878498914 746912950 /nfs/dbraw/zinc/91/29/50/746912950.db2.gz RXSNYANALAVGHQ-OCCSQVGLSA-N 1 0 280.324 1.078 20 5 CDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC[S@@](C)=O ZINC000829696772 747033434 /nfs/dbraw/zinc/03/34/34/747033434.db2.gz NTKDNZMQCAPUIS-GOSISDBHSA-N 1 0 270.354 1.448 20 5 CDBDRO COc1ccc(OCCN(C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000863570526 747052397 /nfs/dbraw/zinc/05/23/97/747052397.db2.gz XXQREQHHWSSQMK-JTQLQIEISA-N 1 0 283.328 1.261 20 5 CDBDRO C[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1C ZINC000815177618 747128601 /nfs/dbraw/zinc/12/86/01/747128601.db2.gz RSWUQMZTEVNROK-TYNCELHUSA-N 1 0 293.367 1.653 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCSC2)cc1 ZINC000223282867 747402918 /nfs/dbraw/zinc/40/29/18/747402918.db2.gz WPAJEQFRQGIRPD-CMPLNLGQSA-N 1 0 268.338 1.723 20 5 CDBDRO CON(C)CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866386478 747443056 /nfs/dbraw/zinc/44/30/56/747443056.db2.gz BHWZHIKUIGBNQY-JTQLQIEISA-N 1 0 285.319 1.748 20 5 CDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C(F)F ZINC001021756216 747472454 /nfs/dbraw/zinc/47/24/54/747472454.db2.gz CRANGAWBCVADHM-AOOOYVTPSA-N 1 0 299.277 1.597 20 5 CDBDRO COC(=O)[C@H]1CCN(Cc2onc(C)c2[N+](=O)[O-])[C@H]1C ZINC000851976110 747503333 /nfs/dbraw/zinc/50/33/33/747503333.db2.gz WWSVIMLLXQAFRM-IUCAKERBSA-N 1 0 283.284 1.275 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923279097 747591106 /nfs/dbraw/zinc/59/11/06/747591106.db2.gz DXCCBIVOJIYMRK-TUKIKUTGSA-N 1 0 293.367 1.830 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[S@](C)=O ZINC000786816755 747667321 /nfs/dbraw/zinc/66/73/21/747667321.db2.gz WRWOVSTYQADUIA-POGDKVGISA-N 1 0 282.365 1.966 20 5 CDBDRO NC(=O)CC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000817411328 747675494 /nfs/dbraw/zinc/67/54/94/747675494.db2.gz PZIYSZCXTNFPSR-UHFFFAOYSA-N 1 0 297.742 1.993 20 5 CDBDRO [NH3+][C@@H](Cc1nc(-c2ccc([N+](=O)[O-])o2)no1)C1CC1 ZINC000843238372 747722304 /nfs/dbraw/zinc/72/23/04/747722304.db2.gz QIVFOHWZTKUGBL-ZETCQYMHSA-N 1 0 264.241 1.518 20 5 CDBDRO CO[C@]1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCOC1 ZINC000788753033 747814830 /nfs/dbraw/zinc/81/48/30/747814830.db2.gz YRFMDGDOFSUYFC-YGRLFVJLSA-N 1 0 295.339 1.633 20 5 CDBDRO CCN1CC[C@H]1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000883354999 747826531 /nfs/dbraw/zinc/82/65/31/747826531.db2.gz GQQMKQNVLJKVCL-PWSUYJOCSA-N 1 0 278.356 1.922 20 5 CDBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCC[N@H+](C)CCO ZINC000884825308 747826910 /nfs/dbraw/zinc/82/69/10/747826910.db2.gz PMELMITVHSQNDB-UHFFFAOYSA-N 1 0 281.312 1.133 20 5 CDBDRO CO[C@@H](C[NH3+])Cc1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000822646229 747840634 /nfs/dbraw/zinc/84/06/34/747840634.db2.gz BPGADGVESZOUPI-SNVBAGLBSA-N 1 0 292.295 1.085 20 5 CDBDRO Nc1ccc(NCC[N@@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000286746522 747855688 /nfs/dbraw/zinc/85/56/88/747855688.db2.gz RHCDKZIZZFSVIM-UHFFFAOYSA-N 1 0 280.328 1.311 20 5 CDBDRO Cc1ccc(CNC(=O)[C@@H]2C[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000884468622 747892290 /nfs/dbraw/zinc/89/22/90/747892290.db2.gz IGXYRESHLIDHQU-LBPRGKRZSA-N 1 0 291.351 1.765 20 5 CDBDRO Cc1cccc(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000715064744 748002669 /nfs/dbraw/zinc/00/26/69/748002669.db2.gz AYPOOPXYJHWBOO-AOOOYVTPSA-N 1 0 263.297 1.370 20 5 CDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2Cc1cccnc1[N+](=O)[O-] ZINC000886315250 748056663 /nfs/dbraw/zinc/05/66/63/748056663.db2.gz CKKGKSRGXLGSGP-STQMWFEESA-N 1 0 276.340 1.658 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823195345 748114407 /nfs/dbraw/zinc/11/44/07/748114407.db2.gz VKMXOTLXJPMMSP-DZGCQCFKSA-N 1 0 293.367 1.654 20 5 CDBDRO CC(C)[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000870953339 1165240510 /nfs/dbraw/zinc/24/05/10/1165240510.db2.gz UTAOLPIMEDZVFS-CHWSQXEVSA-N 1 0 283.372 1.278 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000415141425 748424929 /nfs/dbraw/zinc/42/49/29/748424929.db2.gz WQYVQBFRORFGFY-CQSZACIVSA-N 1 0 261.325 1.923 20 5 CDBDRO COC[C@@H](C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)OC ZINC000873101204 748481742 /nfs/dbraw/zinc/48/17/42/748481742.db2.gz BLDSMNGQIMUWDB-GFCCVEGCSA-N 1 0 282.340 1.963 20 5 CDBDRO C[C@H]([NH2+]C[C@H](O)C1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834904998 748518763 /nfs/dbraw/zinc/51/87/63/748518763.db2.gz DQTIXGJGXOEJID-XPTSAGLGSA-N 1 0 279.340 1.989 20 5 CDBDRO CC[N@H+](CCC(=O)NC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000933862529 748519598 /nfs/dbraw/zinc/51/95/98/748519598.db2.gz JDLVNCOQWJCIRG-UHFFFAOYSA-N 1 0 283.303 1.692 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](O)CC2)cc1 ZINC000815296936 748594123 /nfs/dbraw/zinc/59/41/23/748594123.db2.gz INKFRDKHEFWGNC-ZIAGYGMSSA-N 1 0 280.324 1.475 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H](CO)C1CCOCC1 ZINC000782528564 748606447 /nfs/dbraw/zinc/60/64/47/748606447.db2.gz AIEQKRWZIUXFFD-CYBMUJFWSA-N 1 0 298.314 1.611 20 5 CDBDRO CO[C@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000840128035 748654329 /nfs/dbraw/zinc/65/43/29/748654329.db2.gz UMEFNTALUYPYNU-ONGXEEELSA-N 1 0 254.290 1.106 20 5 CDBDRO Cc1ccc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000829015681 748681720 /nfs/dbraw/zinc/68/17/20/748681720.db2.gz PPTWDYPFKRVNOV-BETUJISGSA-N 1 0 293.367 1.795 20 5 CDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822858987 748727561 /nfs/dbraw/zinc/72/75/61/748727561.db2.gz NYCCSGBVRDJFNW-GFCCVEGCSA-N 1 0 285.388 1.670 20 5 CDBDRO C[C@H](O)[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000162816266 748850823 /nfs/dbraw/zinc/85/08/23/748850823.db2.gz TUQUXGNKSJPYPM-UWVGGRQHSA-N 1 0 268.288 1.937 20 5 CDBDRO COc1ccc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000159869594 748871800 /nfs/dbraw/zinc/87/18/00/748871800.db2.gz OFQLDVPOECWHJS-LBPRGKRZSA-N 1 0 293.323 1.413 20 5 CDBDRO CC[N@H+](CC[N+](=O)[O-])CC1CCN(c2ccccn2)CC1 ZINC000791053553 748940508 /nfs/dbraw/zinc/94/05/08/748940508.db2.gz UADZNVMJDFUJLU-UHFFFAOYSA-N 1 0 292.383 1.897 20 5 CDBDRO C[C@]([NH3+])(C(=O)NCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000867953115 749022213 /nfs/dbraw/zinc/02/22/13/749022213.db2.gz NICQHWPCOBPNOT-CYBMUJFWSA-N 1 0 263.297 1.295 20 5 CDBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccnc(F)c3[N+](=O)[O-])C2)C1 ZINC000882398395 749083035 /nfs/dbraw/zinc/08/30/35/749083035.db2.gz WSEBREOJWUFROH-CYBMUJFWSA-N 1 0 280.303 1.661 20 5 CDBDRO CCC[C@@H](O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843074581 749083759 /nfs/dbraw/zinc/08/37/59/749083759.db2.gz NBOAQBLNSLZEGS-CHWSQXEVSA-N 1 0 268.313 1.379 20 5 CDBDRO C[C@@H]1COC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000932503189 749107056 /nfs/dbraw/zinc/10/70/56/749107056.db2.gz XCFDMEXKHXDSII-ZWNOBZJWSA-N 1 0 266.297 1.598 20 5 CDBDRO CS[C@H](C)CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867969139 749191192 /nfs/dbraw/zinc/19/11/92/749191192.db2.gz KODLFMGWZNSQJV-RNCFNFMXSA-N 1 0 297.380 1.636 20 5 CDBDRO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000876578597 749260038 /nfs/dbraw/zinc/26/00/38/749260038.db2.gz UDSGRGMDBZFJMR-NWDGAFQWSA-N 1 0 277.324 1.584 20 5 CDBDRO Cc1c(C[NH2+]CCCC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000231885648 749302503 /nfs/dbraw/zinc/30/25/03/749302503.db2.gz YINQDZVCRGVYDV-UHFFFAOYSA-N 1 0 279.340 1.861 20 5 CDBDRO CCN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000110939631 1166536555 /nfs/dbraw/zinc/53/65/55/1166536555.db2.gz RSFZOUXYRARVQG-ZDUSSCGKSA-N 1 0 291.351 1.738 20 5 CDBDRO COCCOCC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216232 912299504 /nfs/dbraw/zinc/29/95/04/912299504.db2.gz HJXMBDLYMCUKFO-GFCCVEGCSA-N 1 0 282.340 1.778 20 5 CDBDRO CCC[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC001173220194 912303949 /nfs/dbraw/zinc/30/39/49/912303949.db2.gz VQMVJXOPFRGOPS-MFKMUULPSA-N 1 0 279.340 1.769 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC(CO)C1 ZINC001173213196 912336822 /nfs/dbraw/zinc/33/68/22/912336822.db2.gz GKSUTCZOLXIPKC-PKSQDBQZSA-N 1 0 264.325 1.886 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCNC1=O ZINC001173213872 912337087 /nfs/dbraw/zinc/33/70/87/912337087.db2.gz LNSHCFGLBDFMLI-GWCFXTLKSA-N 1 0 277.324 1.394 20 5 CDBDRO C[C@](O)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000698647005 912614045 /nfs/dbraw/zinc/61/40/45/912614045.db2.gz PLRMBRPGBHWHGQ-LBPRGKRZSA-N 1 0 274.267 1.743 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(-n2ccnc2[C@H]2CCC[NH2+]C2)n1 ZINC001167056879 894073998 /nfs/dbraw/zinc/07/39/98/894073998.db2.gz QNKFNCMTPQYMHI-JTQLQIEISA-N 1 0 288.311 1.346 20 5 CDBDRO C[C@H]1CCCC[N@@H+]1CCCNc1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001167753118 900029657 /nfs/dbraw/zinc/02/96/57/900029657.db2.gz KTLXYCNNMBECRC-LBPRGKRZSA-N 1 0 294.355 1.905 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc(C[C@H]3C[NH2+]CCO3)n2)s1 ZINC000843219074 921282530 /nfs/dbraw/zinc/28/25/30/921282530.db2.gz SJZKNMKPJZYMOA-ZETCQYMHSA-N 1 0 296.308 1.237 20 5 CDBDRO COc1cc(NC2(C)CC[NH2+]CC2)cnc1[N+](=O)[O-] ZINC001168186219 907746329 /nfs/dbraw/zinc/74/63/29/907746329.db2.gz UZLXSJJOHVWZRP-UHFFFAOYSA-N 1 0 266.301 1.552 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH2+]CC[C@H]2F)cn2ccnc12 ZINC001168226747 907942795 /nfs/dbraw/zinc/94/27/95/907942795.db2.gz OYRCYJYFWLADRF-ZJUUUORDSA-N 1 0 279.275 1.354 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C2CC[NH2+]CC2)n1 ZINC001247722886 909855514 /nfs/dbraw/zinc/85/55/14/909855514.db2.gz OJPPSGQPVYITNS-UHFFFAOYSA-N 1 0 293.258 1.646 20 5 CDBDRO Cn1c(C(=O)NCCCCCC[NH3+])ccc1[N+](=O)[O-] ZINC000698105205 911146939 /nfs/dbraw/zinc/14/69/39/911146939.db2.gz MHWLUHQEHHCFDY-UHFFFAOYSA-N 1 0 268.317 1.182 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1COC1)CC2 ZINC001172896955 912035312 /nfs/dbraw/zinc/03/53/12/912035312.db2.gz UXTOWSRYGOYOGM-GFCCVEGCSA-N 1 0 262.309 1.831 20 5 CDBDRO [NH3+][C@H]1CCN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899199 912036524 /nfs/dbraw/zinc/03/65/24/912036524.db2.gz MDFGHOARLAVYQG-KBPBESRZSA-N 1 0 275.352 1.875 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@H](O)C1 ZINC001254538657 936405592 /nfs/dbraw/zinc/40/55/92/936405592.db2.gz YCZRRHLYNZWGGZ-NQBHXWOUSA-N 1 0 264.325 1.886 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=[NH2+])N1CCN(C)CC1 ZINC001168736388 921875190 /nfs/dbraw/zinc/87/51/90/921875190.db2.gz GHJVXGWESWNYOP-UHFFFAOYSA-N 1 0 277.328 1.497 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001162384680 922438645 /nfs/dbraw/zinc/43/86/45/922438645.db2.gz IJFDDQLGZHNOCM-DTWKUNHWSA-N 1 0 266.301 1.680 20 5 CDBDRO CC[N+](C)(C)Cc1ccccc1-n1[n-]c(=O)nc1C[NH3+] ZINC001168761137 923213445 /nfs/dbraw/zinc/21/34/45/923213445.db2.gz KEORENAPAWDHNH-UHFFFAOYSA-O 1 0 276.364 1.028 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001118140218 923567104 /nfs/dbraw/zinc/56/71/04/923567104.db2.gz CLTMCAXSBVOWKQ-AOOOYVTPSA-N 1 0 292.339 1.459 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001155915902 927197169 /nfs/dbraw/zinc/19/71/69/927197169.db2.gz JIUYTADFBXJREP-SECBINFHSA-N 1 0 275.312 1.900 20 5 CDBDRO [NH3+][C@H]1CCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001156228704 927509223 /nfs/dbraw/zinc/50/92/23/927509223.db2.gz LAMNPAYJYLFXMK-ZETCQYMHSA-N 1 0 293.714 1.729 20 5 CDBDRO CC1(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168978824 927566388 /nfs/dbraw/zinc/56/63/88/927566388.db2.gz UNFHPLTVQOZVNN-NWDGAFQWSA-N 1 0 256.346 1.838 20 5 CDBDRO O=C(NCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001168985268 927572373 /nfs/dbraw/zinc/57/23/73/927572373.db2.gz SMSKZNJHZRFMAR-JSGCOSHPSA-N 1 0 297.399 1.718 20 5 CDBDRO CCNC(=O)N1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168965934 927589075 /nfs/dbraw/zinc/58/90/75/927589075.db2.gz DQQARTCYQZLBQC-DGCLKSJQSA-N 1 0 298.387 1.215 20 5 CDBDRO O=C(CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)N1CCCCC1 ZINC001168965980 927589615 /nfs/dbraw/zinc/58/96/15/927589615.db2.gz FINAKSPZAUTEAF-STQMWFEESA-N 1 0 283.372 1.424 20 5 CDBDRO CCNC(=O)N1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168965935 927589879 /nfs/dbraw/zinc/58/98/79/927589879.db2.gz DQQARTCYQZLBQC-WCQYABFASA-N 1 0 298.387 1.215 20 5 CDBDRO O=C(NCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168965837 927589944 /nfs/dbraw/zinc/58/99/44/927589944.db2.gz CPLLYEPMCLMLKE-JSGCOSHPSA-N 1 0 291.351 1.451 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2(c3cnccn3)CC2)C1 ZINC001168992492 927601083 /nfs/dbraw/zinc/60/10/83/927601083.db2.gz KCKJXCJADTUZDX-RYUDHWBXSA-N 1 0 276.340 1.543 20 5 CDBDRO CC(C)Oc1cc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)ncn1 ZINC001168997537 927603075 /nfs/dbraw/zinc/60/30/75/927603075.db2.gz DBXHRZMEFBHRAI-NEPJUHHUSA-N 1 0 294.355 1.799 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2ccncn2)C1 ZINC001169003113 927605332 /nfs/dbraw/zinc/60/53/32/927605332.db2.gz NPPCCUKXFXGONE-CMPLNLGQSA-N 1 0 250.302 1.054 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2COc3cnccc32)C1 ZINC001169001990 927606182 /nfs/dbraw/zinc/60/61/82/927606182.db2.gz IXJHWFOROSMYFT-IJLUTSLNSA-N 1 0 277.324 1.593 20 5 CDBDRO CCN(CC)CC[N@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006023 927607848 /nfs/dbraw/zinc/60/78/48/927607848.db2.gz FJTVKSDQABLALB-QWHCGFSZSA-N 1 0 257.378 1.705 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc3n(n2)CCCO3)C1 ZINC001169007591 927611403 /nfs/dbraw/zinc/61/14/03/927611403.db2.gz OIVDUSOUTBKDSW-QWRGUYRKSA-N 1 0 280.328 1.201 20 5 CDBDRO COC(=O)[C@]1(F)CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169009862 927614056 /nfs/dbraw/zinc/61/40/56/927614056.db2.gz YOXYHRPTZIKUIG-NHCYSSNCSA-N 1 0 274.292 1.019 20 5 CDBDRO Cn1cc(C[N@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001169008209 927614898 /nfs/dbraw/zinc/61/48/98/927614898.db2.gz RZCBQSZAFGEDEF-PWSUYJOCSA-N 1 0 252.318 1.297 20 5 CDBDRO C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H]1CC[C@H](O)CC1 ZINC001169011267 927616947 /nfs/dbraw/zinc/61/69/47/927616947.db2.gz JBZIKYRYVTYJLY-CYDGBPFRSA-N 1 0 256.346 1.667 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC3(CC2)OCCO3)C1 ZINC001169010571 927617229 /nfs/dbraw/zinc/61/72/29/927617229.db2.gz DSYKFRZGDXGAQN-NWDGAFQWSA-N 1 0 270.329 1.271 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@]3(CCOC3)C2)C1 ZINC001169010613 927617529 /nfs/dbraw/zinc/61/75/29/927617529.db2.gz FDPYJUQYZAYGMO-RDBSUJKOSA-N 1 0 268.357 1.934 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(O)(C(F)(F)F)CC2)C1 ZINC001169012555 927619102 /nfs/dbraw/zinc/61/91/02/927619102.db2.gz RDCSNWBYNDBTAB-VHSXEESVSA-N 1 0 296.289 1.821 20 5 CDBDRO COc1cc([N+](=O)[O-])c(-n2nc(CC[NH3+])nc2C)cc1F ZINC001168987108 927621832 /nfs/dbraw/zinc/62/18/32/927621832.db2.gz DGAVUDXKFYWFEN-UHFFFAOYSA-N 1 0 295.274 1.133 20 5 CDBDRO CC1(C)CN(C2C[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)CCO1 ZINC001169032996 927637443 /nfs/dbraw/zinc/63/74/43/927637443.db2.gz AWPBIMDZOQWGEX-CHWSQXEVSA-N 1 0 297.399 1.227 20 5 CDBDRO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035790 927643502 /nfs/dbraw/zinc/64/35/02/927643502.db2.gz CHTKHZXAXONUSS-RVMXOQNASA-N 1 0 286.372 1.951 20 5 CDBDRO CC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039105 927650758 /nfs/dbraw/zinc/65/07/58/927650758.db2.gz NBNCSICQZRUVLF-UPJWGTAASA-N 1 0 254.330 1.875 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCn3nccc3C2)C1 ZINC001169044591 927656212 /nfs/dbraw/zinc/65/62/12/927656212.db2.gz IKXPDTLJKZJLCU-MNOVXSKESA-N 1 0 250.302 1.144 20 5 CDBDRO CCOC(=O)[C@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169042129 927656446 /nfs/dbraw/zinc/65/64/46/927656446.db2.gz CZFWEROHJHMMQO-SDDRHHMPSA-N 1 0 270.329 1.317 20 5 CDBDRO CN1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169050046 927669202 /nfs/dbraw/zinc/66/92/02/927669202.db2.gz YJYAOKYRLOILGR-REWJHTLYSA-N 1 0 267.373 1.458 20 5 CDBDRO CO[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H](C)C1 ZINC001169050642 927669681 /nfs/dbraw/zinc/66/96/81/927669681.db2.gz CCWINVLXRIEISI-FVCCEPFGSA-N 1 0 256.346 1.931 20 5 CDBDRO [NH3+]Cc1cnnn1-c1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001169308103 927944224 /nfs/dbraw/zinc/94/42/24/927944224.db2.gz GFHLRDWUWSTUSW-UHFFFAOYSA-N 1 0 288.242 1.322 20 5 CDBDRO O=[N+]([O-])c1cnc2ccc(NCC[C@H]3CCC[NH2+]3)cn21 ZINC001169564528 928180800 /nfs/dbraw/zinc/18/08/00/928180800.db2.gz PLSPGONXOFXMKY-SNVBAGLBSA-N 1 0 275.312 1.797 20 5 CDBDRO CO[C@@H](C)CNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001169776819 928406280 /nfs/dbraw/zinc/40/62/80/928406280.db2.gz NNAXHRLUNLHHTE-QMMMGPOBSA-N 1 0 251.286 1.645 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NCC12CC[NH+](CC1)CC2 ZINC001169793279 928442073 /nfs/dbraw/zinc/44/20/73/928442073.db2.gz PBGRPZVGDIMFEF-UHFFFAOYSA-N 1 0 292.339 1.896 20 5 CDBDRO Cc1c(F)cc([N+](=O)[O-])cc1NC[C@@H]1COCC[NH2+]1 ZINC001170047911 929157678 /nfs/dbraw/zinc/15/76/78/929157678.db2.gz UYHSYPHTXJTSEA-SECBINFHSA-N 1 0 269.276 1.443 20 5 CDBDRO N=C(Nc1ncc([N+](=O)[O-])cc1F)SCC[NH3+] ZINC001157128406 929208054 /nfs/dbraw/zinc/20/80/54/929208054.db2.gz MGLYMWWXYUWBHR-UHFFFAOYSA-N 1 0 259.266 1.167 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(c3ncc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC001157262983 929399755 /nfs/dbraw/zinc/39/97/55/929399755.db2.gz ZMBSUPKRURIZIV-JOYOIKCWSA-N 1 0 280.303 1.659 20 5 CDBDRO [NH3+]CCCN(Cc1cccnc1[N+](=O)[O-])CC(F)(F)F ZINC000886841079 930973343 /nfs/dbraw/zinc/97/33/43/930973343.db2.gz BJRPLEYRXXBIOC-UHFFFAOYSA-N 1 0 292.261 1.703 20 5 CDBDRO [NH3+]Cc1nccnc1Nc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001160245958 931311102 /nfs/dbraw/zinc/31/11/02/931311102.db2.gz PJRJSCSVWWQLEQ-UHFFFAOYSA-N 1 0 285.267 1.463 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCC[NH2+]CC1)C2 ZINC001246521886 931572074 /nfs/dbraw/zinc/57/20/74/931572074.db2.gz BGMGGCIYWJCVRB-AWEZNQCLSA-N 1 0 261.325 1.357 20 5 CDBDRO [NH3+]CCc1cc2ccccc2n1-c1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001171304353 932510933 /nfs/dbraw/zinc/51/09/33/932510933.db2.gz INSRSYGTBZFPIY-UHFFFAOYSA-N 1 0 298.302 1.673 20 5 CDBDRO Cc1cnc(N2CCOC[C@@H]2C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001154961940 937612678 /nfs/dbraw/zinc/61/26/78/937612678.db2.gz PTOVLTMMPQNTTP-NSHDSACASA-N 1 0 280.328 1.065 20 5 CDBDRO Cc1c(C)c(N2CCOC[C@H]2C[NH+](C)C)ncc1[N+](=O)[O-] ZINC001154977258 937615473 /nfs/dbraw/zinc/61/54/73/937615473.db2.gz MNRGRSLKBYVTGT-GFCCVEGCSA-N 1 0 294.355 1.373 20 5 CDBDRO COc1cc(-n2cc3ccc(C[NH3+])cc3n2)cnc1[N+](=O)[O-] ZINC001171322751 932652750 /nfs/dbraw/zinc/65/27/50/932652750.db2.gz FKQZQPKXDLDXRL-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1NC[C@H]1CCCC[NH2+]1 ZINC001171326608 932678345 /nfs/dbraw/zinc/67/83/45/932678345.db2.gz COWCVEGMNPUJBP-MRVPVSSYSA-N 1 0 286.719 1.436 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)n1 ZINC001155637267 937657223 /nfs/dbraw/zinc/65/72/23/937657223.db2.gz SKVRCJVKOIVPDS-SCVCMEIPSA-N 1 0 278.312 1.148 20 5 CDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@H](C)C[NH+](C)C)n1 ZINC001155924551 937690023 /nfs/dbraw/zinc/69/00/23/937690023.db2.gz WANHHYHCUOWQCQ-SSDOTTSWSA-N 1 0 296.331 1.014 20 5 CDBDRO O=C(NCC[C@H]1CSCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001122082193 937904141 /nfs/dbraw/zinc/90/41/41/937904141.db2.gz GFPPDBSTROIALP-NSHDSACASA-N 1 0 295.364 1.420 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC001122321309 937920968 /nfs/dbraw/zinc/92/09/68/937920968.db2.gz RTAOWBLJWMLWOY-ABAIWWIYSA-N 1 0 289.335 1.857 20 5 CDBDRO Cc1nc(-n2nc(C[NH3+])c3ccccc32)ncc1[N+](=O)[O-] ZINC001156865198 938427484 /nfs/dbraw/zinc/42/74/84/938427484.db2.gz TUPNMAGRLMLLGG-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO CCC(CC)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767803 938542819 /nfs/dbraw/zinc/54/28/19/938542819.db2.gz VGYNNUGHRPLNQH-VXGBXAGGSA-N 1 0 271.361 1.184 20 5 CDBDRO O=C(NCCC[NH2+]CCC1CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157774847 938544052 /nfs/dbraw/zinc/54/40/52/938544052.db2.gz CYGKWKCMNWFQOM-CHWSQXEVSA-N 1 0 283.372 1.328 20 5 CDBDRO Nc1cc(N(CC[NH3+])c2cccnc2)ncc1[N+](=O)[O-] ZINC001158000836 938573841 /nfs/dbraw/zinc/57/38/41/938573841.db2.gz IMBQSMUAYVYOEE-UHFFFAOYSA-N 1 0 274.284 1.064 20 5 CDBDRO CCN(c1cc(N)c([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]C1 ZINC001158204593 938594972 /nfs/dbraw/zinc/59/49/72/938594972.db2.gz HAUJCGNQADVVJG-SECBINFHSA-N 1 0 265.317 1.150 20 5 CDBDRO C[C@H]([NH3+])c1ccn(-c2ccc3[nH]cc([N+](=O)[O-])c3n2)n1 ZINC001158351055 938612705 /nfs/dbraw/zinc/61/27/05/938612705.db2.gz SKHLWZNOQNWJNB-ZETCQYMHSA-N 1 0 272.268 1.677 20 5 CDBDRO CO[C@@H]1CN(c2ccc3c(cccc3[N+](=O)[O-])n2)C[C@@H]1[NH3+] ZINC001158705852 938652736 /nfs/dbraw/zinc/65/27/36/938652736.db2.gz VGOJELITRGTUJP-GXFFZTMASA-N 1 0 288.307 1.305 20 5 CDBDRO CO[C@@H]1CN(c2ccc3ccc4cccnc4c3n2)C[C@@H]1[NH3+] ZINC001158705513 938652905 /nfs/dbraw/zinc/65/29/05/938652905.db2.gz OMCGQINHHCQLNA-UONOGXRCSA-N 1 0 294.358 1.945 20 5 CDBDRO CO[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@@H]1[NH3+] ZINC001158712929 938655097 /nfs/dbraw/zinc/65/50/97/938655097.db2.gz UVUCGVFBYHQSDG-QWHCGFSZSA-N 1 0 288.307 1.305 20 5 CDBDRO C[N@H+](C1CN(c2ncc(F)cc2[N+](=O)[O-])C1)[C@H]1CCOC1 ZINC001158725195 938657208 /nfs/dbraw/zinc/65/72/08/938657208.db2.gz FXOKWQYCHISFDS-JTQLQIEISA-N 1 0 296.302 1.038 20 5 CDBDRO CC(C)Oc1nc(N2CC3(C2)C[NH+](C)C3)ccc1[N+](=O)[O-] ZINC001158868110 938673631 /nfs/dbraw/zinc/67/36/31/938673631.db2.gz GTLOEXCTBLJTRD-UHFFFAOYSA-N 1 0 292.339 1.529 20 5 CDBDRO O=[N+]([O-])c1cc(N2CC3(C2)CCC[NH2+]C3)nc2[nH]ccc21 ZINC001159025078 938692399 /nfs/dbraw/zinc/69/23/99/938692399.db2.gz FNYJQMGJMNWBNQ-UHFFFAOYSA-N 1 0 287.323 1.661 20 5 CDBDRO Cc1ccnc(-n2nnc3ccc(C[NH3+])cc32)c1[N+](=O)[O-] ZINC001159025895 938692740 /nfs/dbraw/zinc/69/27/40/938692740.db2.gz AFNKFQBHDAUUFK-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO C[C@@]1([NH3+])C[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001162325423 939024086 /nfs/dbraw/zinc/02/40/86/939024086.db2.gz YSPXMKUKVMXULC-XGAOUMNUSA-N 1 0 256.693 1.935 20 5 CDBDRO C[N@@H+]1CCC[C@@](C)(Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001162340567 939031439 /nfs/dbraw/zinc/03/14/39/939031439.db2.gz FFVUMHVRJHNALZ-GFCCVEGCSA-N 1 0 295.299 1.794 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[NH2+][C@H](C)C2)n1 ZINC001162556799 939086475 /nfs/dbraw/zinc/08/64/75/939086475.db2.gz WDGNHXHPINEXNL-NXEZZACHSA-N 1 0 250.302 1.708 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1cccc2ncc([N+](=O)[O-])n21 ZINC001162680404 939113685 /nfs/dbraw/zinc/11/36/85/939113685.db2.gz LFLBDUWCCHAMAK-RKDXNWHRSA-N 1 0 261.285 1.405 20 5 CDBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1nccnc1[N+](=O)[O-] ZINC001162759421 939133967 /nfs/dbraw/zinc/13/39/67/939133967.db2.gz RXJUEQXLIVQAQQ-MRVPVSSYSA-N 1 0 284.279 1.743 20 5 CDBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1ncc([N+](=O)[O-])cn1 ZINC001162760253 939134229 /nfs/dbraw/zinc/13/42/29/939134229.db2.gz OFHVZGUGMCEBPF-QMMMGPOBSA-N 1 0 284.279 1.743 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(NC[C@@H]2CC[NH2+]C[C@@H]2F)n1 ZINC001162804954 939146759 /nfs/dbraw/zinc/14/67/59/939146759.db2.gz BSLZABVTLOANRN-IUCAKERBSA-N 1 0 299.306 1.061 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N(C(C)C)C(C)(C)C[NH3+])n1 ZINC001163188333 939222069 /nfs/dbraw/zinc/22/20/69/939222069.db2.gz UGTBEOFXZXYTJG-UHFFFAOYSA-N 1 0 297.359 1.654 20 5 CDBDRO O=[N+]([O-])c1nccnc1N[C@H]1C[NH2+]Cc2ccsc21 ZINC001163219947 939228108 /nfs/dbraw/zinc/22/81/08/939228108.db2.gz IITGNJBVDTXMCK-QMMMGPOBSA-N 1 0 277.309 1.703 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163254038 939233474 /nfs/dbraw/zinc/23/34/74/939233474.db2.gz KCVNVDPJXOLOPM-MIMYLULJSA-N 1 0 278.312 1.408 20 5 CDBDRO Cc1nc(N[C@H](C[NH3+])c2ccccc2)ncc1[N+](=O)[O-] ZINC001163296862 939241815 /nfs/dbraw/zinc/24/18/15/939241815.db2.gz WTQDNQGAKYKRSK-LLVKDONJSA-N 1 0 273.296 1.805 20 5 CDBDRO C[NH2+]C1CN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001163701349 939311131 /nfs/dbraw/zinc/31/11/31/939311131.db2.gz JIZZPKDYKIXGKP-UHFFFAOYSA-N 1 0 293.714 1.599 20 5 CDBDRO C[NH2+]C1CN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC001163705336 939311607 /nfs/dbraw/zinc/31/16/07/939311607.db2.gz LHAXWSZPTARQRP-UHFFFAOYSA-N 1 0 266.301 1.185 20 5 CDBDRO COc1cnc(N2C[C@@H](C)CC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001164069370 939404441 /nfs/dbraw/zinc/40/44/41/939404441.db2.gz JWINVHVJXMWASW-UWVGGRQHSA-N 1 0 280.328 1.562 20 5 CDBDRO Cc1ccnc(N2C[C@H](C)CC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC001164070957 939405171 /nfs/dbraw/zinc/40/51/71/939405171.db2.gz QVYCQKGVXXIWHP-KOLCDFICSA-N 1 0 264.329 1.862 20 5 CDBDRO C[C@H]1CC[C@H](C[NH3+])N(c2ccc([N+](=O)[O-])c(N)n2)C1 ZINC001164075931 939406980 /nfs/dbraw/zinc/40/69/80/939406980.db2.gz ZBNIKOCXBFQISM-DTWKUNHWSA-N 1 0 265.317 1.136 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(-n3cnc4c3C[NH2+]CC4)c2c1 ZINC001164313700 939452469 /nfs/dbraw/zinc/45/24/69/939452469.db2.gz PHPHTCXQPPKQNG-UHFFFAOYSA-N 1 0 296.290 1.369 20 5 CDBDRO Cc1nc(N2CC(C)([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001165117119 939511987 /nfs/dbraw/zinc/51/19/87/939511987.db2.gz PWMLXOVFQUTYTM-UHFFFAOYSA-N 1 0 250.302 1.439 20 5 CDBDRO C[NH+]1C[C@@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)C[C@H]2C1 ZINC001165150577 939519214 /nfs/dbraw/zinc/51/92/14/939519214.db2.gz RXOMZPKXMKQQES-GHMZBOCLSA-N 1 0 299.334 1.536 20 5 CDBDRO COc1nc(N2CC[C@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001165236571 939531049 /nfs/dbraw/zinc/53/10/49/939531049.db2.gz KZJLSVICHKDHHD-CQSZACIVSA-N 1 0 292.339 1.578 20 5 CDBDRO CC(C)Oc1nc(N2CCC[C@H]3[NH2+]C[C@H]32)ccc1[N+](=O)[O-] ZINC001165393969 939557849 /nfs/dbraw/zinc/55/78/49/939557849.db2.gz GXDONPWGVNWERU-ZYHUDNBSSA-N 1 0 292.339 1.718 20 5 CDBDRO Nc1cc(N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)ncc1[N+](=O)[O-] ZINC001165434288 939565000 /nfs/dbraw/zinc/56/50/00/939565000.db2.gz RFEANCKZUBPXIA-BDAKNGLRSA-N 1 0 295.318 1.085 20 5 CDBDRO C[C@H](CCO)Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001165937534 939586507 /nfs/dbraw/zinc/58/65/07/939586507.db2.gz JLIREVUQZZPUAW-LLVKDONJSA-N 1 0 297.355 1.718 20 5 CDBDRO [NH3+]C1CCN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)CC1 ZINC001166664366 939624364 /nfs/dbraw/zinc/62/43/64/939624364.db2.gz MHULRQIEJFJYFG-UHFFFAOYSA-N 1 0 261.285 1.399 20 5 CDBDRO [NH3+]C1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001166665729 939624781 /nfs/dbraw/zinc/62/47/81/939624781.db2.gz IHCBKEGEGLHHIA-UHFFFAOYSA-N 1 0 273.296 1.466 20 5 CDBDRO N=c1sc2c(n1-c1ncc(F)cc1[N+](=O)[O-])CC[NH2+]C2 ZINC001166860443 939645451 /nfs/dbraw/zinc/64/54/51/939645451.db2.gz XCDARKUVNVWIJB-UHFFFAOYSA-N 1 0 295.299 1.106 20 5 CDBDRO [NH3+][C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H]1F ZINC001166929787 939651649 /nfs/dbraw/zinc/65/16/49/939651649.db2.gz BCGOQUARYJOGKN-VHSXEESVSA-N 1 0 276.271 1.628 20 5 CDBDRO CN(c1ccc2c(cccc2[N+](=O)[O-])n1)C1C[NH2+]C1 ZINC001166978156 939665978 /nfs/dbraw/zinc/66/59/78/939665978.db2.gz MAUUQZNHULBEOF-UHFFFAOYSA-N 1 0 258.281 1.551 20 5 CDBDRO CC1(Nc2ncc(F)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000401275240 940866237 /nfs/dbraw/zinc/86/62/37/940866237.db2.gz VHRWPLNPGLFXGJ-UHFFFAOYSA-N 1 0 254.265 1.683 20 5 CDBDRO COc1cc(CO[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC001217858125 941024281 /nfs/dbraw/zinc/02/42/81/941024281.db2.gz ZEUDHHBGSLVMGU-LLVKDONJSA-N 1 0 296.323 1.881 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCc1ccc2c(c1)nnn2C ZINC001223037258 941652622 /nfs/dbraw/zinc/65/26/22/941652622.db2.gz KFSMNQDZBDSSBS-LLVKDONJSA-N 1 0 263.365 1.580 20 5 CDBDRO C[C@H]1[C@H](OCC[N+](C)(C)C)CN1C(=O)OC(C)(C)C ZINC001224775703 941790135 /nfs/dbraw/zinc/79/01/35/941790135.db2.gz MZBODJQIXAFDKD-NWDGAFQWSA-N 1 0 273.397 1.717 20 5 CDBDRO CN(C)c1cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001225231733 941832013 /nfs/dbraw/zinc/83/20/13/941832013.db2.gz NMNCLSVTDVXJNL-CYBMUJFWSA-N 1 0 281.376 1.115 20 5 CDBDRO CCn1c(C)cc(O[C@H](C)C[N+](C)(C)C)cc1=O ZINC001225440972 941859649 /nfs/dbraw/zinc/85/96/49/941859649.db2.gz BDZXCPHIQWXTHY-GFCCVEGCSA-N 1 0 253.366 1.650 20 5 CDBDRO NC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001226168426 941961177 /nfs/dbraw/zinc/96/11/77/941961177.db2.gz SDAAHHCGAQTZHI-CYBMUJFWSA-N 1 0 291.307 1.167 20 5 CDBDRO CC(=O)Nc1cccnc1O[C@H](C)C[N+](C)(C)C ZINC001226315151 941984565 /nfs/dbraw/zinc/98/45/65/941984565.db2.gz PMVHBRJLGBROFW-SNVBAGLBSA-O 1 0 252.338 1.514 20 5 CDBDRO Cc1ccc2[nH]c(OC(=O)C[C@@H](O)C[N+](C)(C)C)nc2c1 ZINC001226506120 942017275 /nfs/dbraw/zinc/01/72/75/942017275.db2.gz NBKZLUCVYVEQER-LLVKDONJSA-N 1 0 292.359 1.234 20 5 CDBDRO COc1cc(O[C@@H]2C[NH+]3CCC2CC3)ncc1[N+](=O)[O-] ZINC001226581090 942030512 /nfs/dbraw/zinc/03/05/12/942030512.db2.gz KKNCHJDRLXSRJC-GFCCVEGCSA-N 1 0 279.296 1.471 20 5 CDBDRO CC(=O)c1ccc(C)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227114626 942136356 /nfs/dbraw/zinc/13/63/56/942136356.db2.gz MLUZKRRPYUUODV-CYBMUJFWSA-N 1 0 294.371 1.560 20 5 CDBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ncncc2[N+](=O)[O-])CC1 ZINC001228655667 942349315 /nfs/dbraw/zinc/34/93/15/942349315.db2.gz UFKBHGIDTZAIEH-MGCOHNPYSA-N 1 0 266.301 1.636 20 5 CDBDRO COCCC[NH+]1CCC(Oc2cnccc2[N+](=O)[O-])CC1 ZINC001228882810 942387745 /nfs/dbraw/zinc/38/77/45/942387745.db2.gz PJKKQDMJUVDRQS-UHFFFAOYSA-N 1 0 295.339 1.870 20 5 CDBDRO O=[N+]([O-])c1c[n+]([O-])ccc1OC1CC[NH+](C2CC2)CC1 ZINC001229451985 942476854 /nfs/dbraw/zinc/47/68/54/942476854.db2.gz LOHZFLJMIYPRDQ-UHFFFAOYSA-N 1 0 279.296 1.234 20 5 CDBDRO Cc1cc(O)c(O[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001229751890 942526110 /nfs/dbraw/zinc/52/61/10/942526110.db2.gz YWSPZQSDEJNSHO-VIFPVBQESA-N 1 0 252.270 1.692 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cccn2c(=O)ccnc12 ZINC001229928654 942554260 /nfs/dbraw/zinc/55/42/60/942554260.db2.gz DLICWKWPDRFWAA-NSHDSACASA-N 1 0 262.333 1.168 20 5 CDBDRO CCOC(=O)Cc1ccc(O)cc1O[C@H](C)C[N+](C)(C)C ZINC001230402864 942617747 /nfs/dbraw/zinc/61/77/47/942617747.db2.gz KZNAMEUAUIKFIJ-GFCCVEGCSA-O 1 0 296.387 1.971 20 5 CDBDRO C=Cc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(OC)c1 ZINC001233569324 943618920 /nfs/dbraw/zinc/61/89/20/943618920.db2.gz LFEQFOQHBNKWSS-CYBMUJFWSA-N 1 0 294.371 1.701 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 ZINC001233707148 943644676 /nfs/dbraw/zinc/64/46/76/943644676.db2.gz HNXDKSOUBLWXFI-SECBINFHSA-N 1 0 284.292 1.977 20 5 CDBDRO COC(=O)c1cc(C)nc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001234005782 943712534 /nfs/dbraw/zinc/71/25/34/943712534.db2.gz SJTLFXHZOLYBPX-NSHDSACASA-N 1 0 267.349 1.650 20 5 CDBDRO Cc1cc(NC(=O)C[C@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC001263329275 943833874 /nfs/dbraw/zinc/83/38/74/943833874.db2.gz BAIXVUJLDDKSSA-SNVBAGLBSA-N 1 0 263.297 1.984 20 5 CDBDRO Cc1cc(NC(=O)C[C@@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC001263329274 943834307 /nfs/dbraw/zinc/83/43/07/943834307.db2.gz BAIXVUJLDDKSSA-JTQLQIEISA-N 1 0 263.297 1.984 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1nc(=O)[nH]c2c1SCCC2 ZINC001234913706 943971399 /nfs/dbraw/zinc/97/13/99/943971399.db2.gz BXESQRYRAMSLMA-SECBINFHSA-O 1 0 284.405 1.694 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001261220682 946002676 /nfs/dbraw/zinc/00/26/76/946002676.db2.gz WDNBSGLFHYNSRX-CQSZACIVSA-N 1 0 276.340 1.830 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)[C@H]1CCOC1 ZINC001254548110 947518333 /nfs/dbraw/zinc/51/83/33/947518333.db2.gz KCPVFEJUOHVGAD-KWCYVHTRSA-N 1 0 294.351 1.513 20 5 CDBDRO CC(=O)NCCCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580232 947537145 /nfs/dbraw/zinc/53/71/45/947537145.db2.gz CJKKVGUKHJYYMJ-CQSZACIVSA-N 1 0 291.351 1.568 20 5 CDBDRO C[C@@H]1C(=O)N(C)CCN1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603292 947552359 /nfs/dbraw/zinc/55/23/59/947552359.db2.gz LOXZXYJUPOJIJN-YGRLFVJLSA-N 1 0 289.335 1.225 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@H]1CCCC[NH2+]C1)C2 ZINC001246089414 947939133 /nfs/dbraw/zinc/93/91/33/947939133.db2.gz DWKWAIGAGCZCRJ-UONOGXRCSA-N 1 0 275.352 1.794 20 5 CDBDRO COc1ccc(C[C@@H](C)N2C[C@@H](F)[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001246528387 948230402 /nfs/dbraw/zinc/23/04/02/948230402.db2.gz WXVKJTCILFPNSM-WQAKAFBOSA-N 1 0 297.330 1.515 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]([NH3+])C[C@H](F)C1 ZINC001246587882 948320093 /nfs/dbraw/zinc/32/00/93/948320093.db2.gz VRDJBOIWDZLJCR-WXHSDQCUSA-N 1 0 281.331 1.897 20 5 CDBDRO CC[NH+](CC)C1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC001251573591 950722164 /nfs/dbraw/zinc/72/21/64/950722164.db2.gz CKWLWNSFWAWPTI-UHFFFAOYSA-N 1 0 294.359 1.278 20 5 CDBDRO CC[C@@]1(C(=O)N2CCc3c2cccc3[N+](=O)[O-])CC[NH2+]C1 ZINC001325816784 954083742 /nfs/dbraw/zinc/08/37/42/954083742.db2.gz CPBAEDRKOWCNFG-OAHLLOKOSA-N 1 0 289.335 1.874 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC001326453534 954389699 /nfs/dbraw/zinc/38/96/99/954389699.db2.gz XSEUMQIWXZKNDE-NXEZZACHSA-N 1 0 292.339 1.494 20 5 CDBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001304679524 956218727 /nfs/dbraw/zinc/21/87/27/956218727.db2.gz KSDMPRFSEOWSJV-UHFFFAOYSA-N 1 0 282.344 1.583 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001331760443 957247735 /nfs/dbraw/zinc/24/77/35/957247735.db2.gz VXSGTHMUCUBDKK-OLZOCXBDSA-N 1 0 294.355 1.601 20 5 CDBDRO CC(=O)OC[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001333710976 958533341 /nfs/dbraw/zinc/53/33/41/958533341.db2.gz MTQAXKNBMBVFIW-SNVBAGLBSA-N 1 0 282.296 1.515 20 5 CDBDRO CC[C@@H]1CN(CC[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001334782640 959359607 /nfs/dbraw/zinc/35/96/07/959359607.db2.gz AUWWZHOTXPADID-OAHLLOKOSA-N 1 0 277.368 1.860 20 5 CDBDRO CCC[NH2+]CCNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001335550492 959883059 /nfs/dbraw/zinc/88/30/59/959883059.db2.gz AOTBBALPXINNRG-LLVKDONJSA-N 1 0 294.355 1.955 20 5 CDBDRO C[NH+]1CCC(CNc2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001336507806 960373407 /nfs/dbraw/zinc/37/34/07/960373407.db2.gz XCLGOBFFBCQJHC-UHFFFAOYSA-N 1 0 265.317 1.326 20 5 CDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc(N)c([N+](=O)[O-])n1 ZINC001339608470 962448666 /nfs/dbraw/zinc/44/86/66/962448666.db2.gz BWDXMRJTZWIUBM-KWQFWETISA-N 1 0 277.328 1.467 20 5 CDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH3+])CC1 ZINC001341416409 963407546 /nfs/dbraw/zinc/40/75/46/963407546.db2.gz YWGAWNIDYWWXEZ-VIFPVBQESA-N 1 0 295.364 1.683 20 5 CDBDRO CC[N@@H+]1CCCN(c2c(C)cncc2[N+](=O)[O-])CC1 ZINC001341769155 963537168 /nfs/dbraw/zinc/53/71/68/963537168.db2.gz KNRRYCSWEXLREO-UHFFFAOYSA-N 1 0 264.329 1.830 20 5 CDBDRO C[C@]([NH3+])(C(=O)NC/C=C\Cl)c1cccc([N+](=O)[O-])c1 ZINC001342295132 963702675 /nfs/dbraw/zinc/70/26/75/963702675.db2.gz ZWEHUDLQMWURIJ-GCLPIYDQSA-N 1 0 283.715 1.637 20 5 CDBDRO C[C@@H](NC(=O)C[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001342517700 963757402 /nfs/dbraw/zinc/75/74/02/963757402.db2.gz IQLCGRHGWLZCEG-SECBINFHSA-N 1 0 263.297 1.524 20 5 CDBDRO Cc1cc(NC(=O)C[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC001343680964 964093395 /nfs/dbraw/zinc/09/33/95/964093395.db2.gz HDTVGKNKVOFOCR-JTQLQIEISA-N 1 0 263.297 1.841 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001345057616 964555926 /nfs/dbraw/zinc/55/59/26/964555926.db2.gz GBJTVDFGZQVURG-QWHCGFSZSA-N 1 0 289.335 1.585 20 5 CDBDRO C[C@H](CC[NH+]1CCCC1)OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001345534424 964734207 /nfs/dbraw/zinc/73/42/07/964734207.db2.gz PUHXHQIHAABOQZ-GMTAPVOTSA-N 1 0 256.302 1.069 20 5 CDBDRO Cc1cc(NC(=O)N(C)CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001345952260 964867586 /nfs/dbraw/zinc/86/75/86/964867586.db2.gz CHXDHDOLPPADLA-UHFFFAOYSA-N 1 0 280.328 1.929 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC001349599375 966402780 /nfs/dbraw/zinc/40/27/80/966402780.db2.gz ISCDJCVJDZPXCW-UHFFFAOYSA-N 1 0 279.340 1.941 20 5 CDBDRO [NH3+]C1(CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCC1 ZINC001353602979 968098170 /nfs/dbraw/zinc/09/81/70/968098170.db2.gz XOTTXAHHTCHELO-QWHCGFSZSA-N 1 0 289.335 1.696 20 5 CDBDRO C[C@@H](NC(=O)CC(C)(C)[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001354831225 968923968 /nfs/dbraw/zinc/92/39/68/968923968.db2.gz XKIAIQXXRHHHDB-SECBINFHSA-N 1 0 265.313 1.899 20 5 CDBDRO C[NH+](C)CCCNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001604685836 1163282613 /nfs/dbraw/zinc/28/26/13/1163282613.db2.gz GQWYQJNCLCPDAN-UHFFFAOYSA-N 1 0 291.315 1.139 20 5 CDBDRO CC(C)(C(=O)N1CC2(C[NH2+]C2)C1)c1ccccc1[N+](=O)[O-] ZINC001575100379 1171111782 /nfs/dbraw/zinc/11/17/82/1171111782.db2.gz PSIOGYCVHFFBSB-UHFFFAOYSA-N 1 0 289.335 1.304 20 5 CDBDRO CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001577672192 1171716934 /nfs/dbraw/zinc/71/69/34/1171716934.db2.gz UWJBAWKDNAYVIT-HNNXBMFYSA-N 1 0 293.367 1.702 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001578638315 1171967998 /nfs/dbraw/zinc/96/79/98/1171967998.db2.gz KJEKMQUVFVZNOJ-ZCFIWIBFSA-N 1 0 286.719 1.168 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000124340013 187133411 /nfs/dbraw/zinc/13/34/11/187133411.db2.gz AGYAQAXYBYAVDC-SECBINFHSA-N 1 0 297.742 1.611 20 5 CDBDRO CCCN1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601035190 342460404 /nfs/dbraw/zinc/46/04/04/342460404.db2.gz DGHVAMVSYJHASZ-UHFFFAOYSA-N 1 0 295.314 1.902 20 5 CDBDRO C[N@@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1(C)C ZINC000601186887 342489449 /nfs/dbraw/zinc/48/94/49/342489449.db2.gz FPXXJARJKSNRQQ-UHFFFAOYSA-N 1 0 295.368 1.834 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000070172065 361737799 /nfs/dbraw/zinc/73/77/99/361737799.db2.gz ABLCTXDXRCSQPB-AAEUAGOBSA-N 1 0 291.351 1.723 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCCC1 ZINC000117283877 342047541 /nfs/dbraw/zinc/04/75/41/342047541.db2.gz JINXNJGLPBPFGT-UHFFFAOYSA-N 1 0 280.328 1.149 20 5 CDBDRO C[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000046275331 342055873 /nfs/dbraw/zinc/05/58/73/342055873.db2.gz CSNLETNWGUKHTJ-JTQLQIEISA-N 1 0 265.313 1.204 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000237594301 342062393 /nfs/dbraw/zinc/06/23/93/342062393.db2.gz DHFJBGILWHQHPI-WDEREUQCSA-N 1 0 292.339 1.345 20 5 CDBDRO O=C(CC[C@H]1CC[NH2+]C1)NCc1cccc([N+](=O)[O-])c1 ZINC000134556455 342071121 /nfs/dbraw/zinc/07/11/21/342071121.db2.gz ZVPLYKUQURIMRK-NSHDSACASA-N 1 0 277.324 1.601 20 5 CDBDRO COc1ccc(NC(=O)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000136482631 342071580 /nfs/dbraw/zinc/07/15/80/342071580.db2.gz YMDJVNIZICGXKB-UHFFFAOYSA-N 1 0 267.285 1.671 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](C3CCC3)C2)n1 ZINC000591061976 342614849 /nfs/dbraw/zinc/61/48/49/342614849.db2.gz PXNZCOIILRMDJO-LBPRGKRZSA-N 1 0 264.329 1.913 20 5 CDBDRO CCc1ccc(C(=O)N2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000125175395 187172926 /nfs/dbraw/zinc/17/29/26/187172926.db2.gz QOUFWYIZJNWECO-SNVBAGLBSA-N 1 0 277.324 1.591 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591437414 342631901 /nfs/dbraw/zinc/63/19/01/342631901.db2.gz HFLOPMSXCSRZNK-WPRPVWTQSA-N 1 0 282.731 1.831 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000591361368 342628458 /nfs/dbraw/zinc/62/84/58/342628458.db2.gz XJWGEXQIPQIESL-SNVBAGLBSA-N 1 0 292.339 1.616 20 5 CDBDRO C[C@H](NC(=O)NCC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000591344112 342628696 /nfs/dbraw/zinc/62/86/96/342628696.db2.gz HEVCPQZJRWHDGJ-JTQLQIEISA-N 1 0 292.339 1.707 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000591444754 342632540 /nfs/dbraw/zinc/63/25/40/342632540.db2.gz NXMVPTACOKNUQR-VHSXEESVSA-N 1 0 282.369 1.877 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591438149 342632058 /nfs/dbraw/zinc/63/20/58/342632058.db2.gz LRNIZTNHSGLNPP-ONGXEEELSA-N 1 0 265.288 1.922 20 5 CDBDRO CC(C)[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000592246347 342681049 /nfs/dbraw/zinc/68/10/49/342681049.db2.gz JSXCRTMVTSGREO-GFCCVEGCSA-N 1 0 277.324 1.665 20 5 CDBDRO Cc1c(CC(=O)N2CC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000592295001 342683832 /nfs/dbraw/zinc/68/38/32/342683832.db2.gz PGJDUIZBGZJLRI-NSHDSACASA-N 1 0 277.324 1.253 20 5 CDBDRO CC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[C@@H]1[NH3+] ZINC000592332568 342685445 /nfs/dbraw/zinc/68/54/45/342685445.db2.gz LLGBZQCWRUXJDQ-ONGXEEELSA-N 1 0 292.339 1.376 20 5 CDBDRO CNc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000592331760 342685523 /nfs/dbraw/zinc/68/55/23/342685523.db2.gz ZRZZOUBOQSMWAA-GHMZBOCLSA-N 1 0 292.339 1.636 20 5 CDBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CO1 ZINC000592378259 342687193 /nfs/dbraw/zinc/68/71/93/342687193.db2.gz CJIIUFKGQLMRGX-MWLCHTKSSA-N 1 0 294.307 1.633 20 5 CDBDRO COc1ccc(CNC(=O)CC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000592045507 342661234 /nfs/dbraw/zinc/66/12/34/342661234.db2.gz UJUMMXQZPNJICT-UHFFFAOYSA-N 1 0 293.323 1.491 20 5 CDBDRO CC1(C)C[NH2+]CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000592473979 342698899 /nfs/dbraw/zinc/69/88/99/342698899.db2.gz ZLQLCRDHKGACAN-UHFFFAOYSA-N 1 0 267.304 1.918 20 5 CDBDRO C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000533588842 282141355 /nfs/dbraw/zinc/14/13/55/282141355.db2.gz HOSDMHWQRUDDAO-SECBINFHSA-N 1 0 272.326 1.118 20 5 CDBDRO C[C@@H]([NH2+][C@H](CO)CCF)c1ccc([N+](=O)[O-])cc1 ZINC000593719403 342828868 /nfs/dbraw/zinc/82/88/68/342828868.db2.gz XMYVEEWEYRXGQC-KOLCDFICSA-N 1 0 256.277 1.966 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@@H]2O)c(F)c1 ZINC000323169225 342842945 /nfs/dbraw/zinc/84/29/45/342842945.db2.gz LZFBRPOQPVYVDR-RYUDHWBXSA-N 1 0 254.261 1.737 20 5 CDBDRO O=C([C@H]1CCC[NH2+]CC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000593910192 342855503 /nfs/dbraw/zinc/85/55/03/342855503.db2.gz SEGWGZAGNAKWGT-NSHDSACASA-N 1 0 289.335 1.874 20 5 CDBDRO CN(C)CC[N@H+](C)CCCN(C)c1cccnc1[N+](=O)[O-] ZINC000588858286 342222970 /nfs/dbraw/zinc/22/29/70/342222970.db2.gz YPTQOZGYXBYILB-UHFFFAOYSA-N 1 0 295.387 1.310 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1CC=CC1 ZINC000600752448 342248285 /nfs/dbraw/zinc/24/82/85/342248285.db2.gz XQOBBTUWXZDCGG-ZDUSSCGKSA-N 1 0 292.335 1.890 20 5 CDBDRO [NH3+]CCSCc1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000594640836 342939304 /nfs/dbraw/zinc/93/93/04/342939304.db2.gz RLZRKOMBSSHHFT-UHFFFAOYSA-N 1 0 279.325 1.367 20 5 CDBDRO COC[C@]1(CNc2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000261582672 536687552 /nfs/dbraw/zinc/68/75/52/536687552.db2.gz GUMBJADLZQXNNL-CYBMUJFWSA-N 1 0 265.313 1.775 20 5 CDBDRO CCOC1CCC([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000595021685 342996236 /nfs/dbraw/zinc/99/62/36/342996236.db2.gz DTPVUKYMVPYNHG-UHFFFAOYSA-N 1 0 282.344 1.729 20 5 CDBDRO Cc1cc(N2CCC[N@@H+]3CCC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000074744972 342303709 /nfs/dbraw/zinc/30/37/09/342303709.db2.gz RENMIDGNMCXHHA-GFCCVEGCSA-N 1 0 276.340 1.973 20 5 CDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C/C=C\CO ZINC000595073135 343002718 /nfs/dbraw/zinc/00/27/18/343002718.db2.gz SGOHTUBRIJDOIT-OTDNITJGSA-N 1 0 293.323 1.450 20 5 CDBDRO CCC[N@H+](CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595290913 343025098 /nfs/dbraw/zinc/02/50/98/343025098.db2.gz NKIJZDDSKGAQRK-UHFFFAOYSA-N 1 0 256.277 1.938 20 5 CDBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4onc(C)c4[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000595489440 343075867 /nfs/dbraw/zinc/07/58/67/343075867.db2.gz ASEAMAIJUQSUJH-ZGAQPHEGSA-N 1 0 293.323 1.746 20 5 CDBDRO CC[NH+](CC)CCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596056116 343222131 /nfs/dbraw/zinc/22/21/31/343222131.db2.gz QOOISHRRLFDEOC-UHFFFAOYSA-N 1 0 268.317 1.839 20 5 CDBDRO O=c1[nH]ccc(NC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000596067457 343224543 /nfs/dbraw/zinc/22/45/43/343224543.db2.gz XLKVUMHOLTYVOU-UHFFFAOYSA-N 1 0 278.312 1.734 20 5 CDBDRO CC(C)[N@H+](C)CCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596075507 343226296 /nfs/dbraw/zinc/22/62/96/343226296.db2.gz FHACFMLHIKIYQP-UHFFFAOYSA-N 1 0 268.317 1.838 20 5 CDBDRO O=[N+]([O-])c1ccccc1N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000294988881 199286756 /nfs/dbraw/zinc/28/67/56/199286756.db2.gz QBTGYAURDHATTJ-LBPRGKRZSA-N 1 0 279.340 1.854 20 5 CDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596181711 343250309 /nfs/dbraw/zinc/25/03/09/343250309.db2.gz DSHFOPFLIJGQJY-NXEZZACHSA-N 1 0 292.339 1.223 20 5 CDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596231467 343261823 /nfs/dbraw/zinc/26/18/23/343261823.db2.gz JORQUIIQJDEENQ-GHMZBOCLSA-N 1 0 292.339 1.758 20 5 CDBDRO CC[N@@H+]1CCN(c2ccc(N)c([N+](=O)[O-])n2)[C@H](C)C1 ZINC000596232611 343262197 /nfs/dbraw/zinc/26/21/97/343262197.db2.gz YLTRIDHHOVTQLY-SECBINFHSA-N 1 0 265.317 1.102 20 5 CDBDRO CC1(C)CCC[N@@H+]1CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596266236 343280165 /nfs/dbraw/zinc/28/01/65/343280165.db2.gz OXDJRBJGLIMDIZ-UHFFFAOYSA-N 1 0 280.328 1.982 20 5 CDBDRO Cc1nn(C)c(N2CC[C@@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000408100959 282271920 /nfs/dbraw/zinc/27/19/20/282271920.db2.gz XQXJBPXZCWSTCZ-GFCCVEGCSA-N 1 0 293.371 1.701 20 5 CDBDRO C[NH+](C)C1(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000597305722 343507551 /nfs/dbraw/zinc/50/75/51/343507551.db2.gz VLFKMNRFVWYPAX-UHFFFAOYSA-N 1 0 277.324 1.348 20 5 CDBDRO COc1cc(CN(C)C2(CO)CC2)c([N+](=O)[O-])cc1OC ZINC000597254822 343500058 /nfs/dbraw/zinc/50/00/58/343500058.db2.gz LWLNOXVFACJXOJ-UHFFFAOYSA-N 1 0 296.323 1.569 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000597701613 343603848 /nfs/dbraw/zinc/60/38/48/343603848.db2.gz VFWDPUKIOYKCIY-LDYMZIIASA-N 1 0 266.301 1.088 20 5 CDBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 ZINC000597713689 343608238 /nfs/dbraw/zinc/60/82/38/343608238.db2.gz FTKGPUKIUBXFDH-AWEZNQCLSA-N 1 0 292.339 1.481 20 5 CDBDRO COc1ccc(C(=O)NC2(C[NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000111831609 365796671 /nfs/dbraw/zinc/79/66/71/365796671.db2.gz HHUUWKJFPVOEMA-UHFFFAOYSA-N 1 0 293.323 1.605 20 5 CDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000598341581 343770065 /nfs/dbraw/zinc/77/00/65/343770065.db2.gz CVYSMLCTIHLFQA-JTQLQIEISA-N 1 0 292.339 1.391 20 5 CDBDRO [NH3+][C@]12CCC[C@@H]1CN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000598681954 343864412 /nfs/dbraw/zinc/86/44/12/343864412.db2.gz KIKGDMXQOOBFKI-OCCSQVGLSA-N 1 0 261.325 1.908 20 5 CDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000598668957 343871767 /nfs/dbraw/zinc/87/17/67/343871767.db2.gz DOKPJYAUFQLHLJ-OTYXRUKQSA-N 1 0 293.298 1.687 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2C[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000599016868 343944673 /nfs/dbraw/zinc/94/46/73/343944673.db2.gz VPPYLRQLAWPDSJ-XYPYZODXSA-N 1 0 266.297 1.870 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCc2cnc(N)nc2C1 ZINC000598947802 343932682 /nfs/dbraw/zinc/93/26/82/343932682.db2.gz NEZBYJLPVUNWNV-JTQLQIEISA-N 1 0 299.334 1.917 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2C[C@@H](O)C2)n1 ZINC000599081853 343957120 /nfs/dbraw/zinc/95/71/20/343957120.db2.gz NWQGBJAICBFGRG-QNWHQSFQSA-N 1 0 294.355 1.636 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599176029 343966345 /nfs/dbraw/zinc/96/63/45/343966345.db2.gz OTVKULCWEHDEMJ-SECBINFHSA-N 1 0 269.276 1.212 20 5 CDBDRO C[C@@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000619782427 349901371 /nfs/dbraw/zinc/90/13/71/349901371.db2.gz ZYHTWXRYZXUOSR-NSHDSACASA-N 1 0 279.340 1.546 20 5 CDBDRO C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CCC[NH2+]C1 ZINC000128931443 362340484 /nfs/dbraw/zinc/34/04/84/362340484.db2.gz CKKACEHDXNTZPF-AWEZNQCLSA-N 1 0 295.314 1.853 20 5 CDBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000602427392 344422252 /nfs/dbraw/zinc/42/22/52/344422252.db2.gz GMVFLEGWXHUIDA-SECBINFHSA-N 1 0 295.314 1.933 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000602596509 344502675 /nfs/dbraw/zinc/50/26/75/344502675.db2.gz PIMXDIWPHKTTQL-VHSXEESVSA-N 1 0 263.297 1.465 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000602600317 344505005 /nfs/dbraw/zinc/50/50/05/344505005.db2.gz VLMGFANFBYHVFD-MGCOHNPYSA-N 1 0 295.314 1.981 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602591918 344480609 /nfs/dbraw/zinc/48/06/09/344480609.db2.gz NCHJNXMFNAJIBU-PHIMTYICSA-N 1 0 275.308 1.480 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCOC[C@H]1C ZINC000602794427 344585970 /nfs/dbraw/zinc/58/59/70/344585970.db2.gz BAIWKNHAYHNSBN-SNVBAGLBSA-N 1 0 268.317 1.211 20 5 CDBDRO C[N@H+](CCC1CCOCC1)CCn1cc([N+](=O)[O-])cn1 ZINC000120537029 362451966 /nfs/dbraw/zinc/45/19/66/362451966.db2.gz FTWYHLKJLKLKGO-UHFFFAOYSA-N 1 0 282.344 1.540 20 5 CDBDRO CC[C@@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CCCO1 ZINC000602825355 344611518 /nfs/dbraw/zinc/61/15/18/344611518.db2.gz KQOWFEKRZPRJGI-GFCCVEGCSA-N 1 0 282.344 1.601 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000128577268 344684686 /nfs/dbraw/zinc/68/46/86/344684686.db2.gz QZLIJXDBHVLLNV-NOZJJQNGSA-N 1 0 299.758 1.796 20 5 CDBDRO O=[N+]([O-])c1cccnc1NC[C@H]1CSCC[NH2+]1 ZINC000603420378 344799711 /nfs/dbraw/zinc/79/97/11/344799711.db2.gz TWNKUNLHWROXKZ-QMMMGPOBSA-N 1 0 254.315 1.107 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000604467893 344893663 /nfs/dbraw/zinc/89/36/63/344893663.db2.gz SFVQFDZOHKBMLH-NSHDSACASA-N 1 0 294.355 1.490 20 5 CDBDRO COc1ccc(C[N@@H+]2CCC[C@@H](O)CC2)cc1[N+](=O)[O-] ZINC000293131619 362532475 /nfs/dbraw/zinc/53/24/75/362532475.db2.gz MXCYEJCAXYNTLH-GFCCVEGCSA-N 1 0 280.324 1.950 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344212750 362555869 /nfs/dbraw/zinc/55/58/69/362555869.db2.gz NLSVXJFDJCOANM-UHFFFAOYSA-N 1 0 283.303 1.804 20 5 CDBDRO Cc1nn(C)c(NC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000051405681 345146278 /nfs/dbraw/zinc/14/62/78/345146278.db2.gz SKDANQVAXAOQOQ-UHFFFAOYSA-N 1 0 281.360 1.921 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000129215116 345277024 /nfs/dbraw/zinc/27/70/24/345277024.db2.gz LQECAKDTEFZQCZ-ZYHUDNBSSA-N 1 0 277.324 1.476 20 5 CDBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000080657112 345618967 /nfs/dbraw/zinc/61/89/67/345618967.db2.gz GFASDCALPSCLGJ-WZRBSPASSA-N 1 0 282.344 1.273 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000563105814 293276430 /nfs/dbraw/zinc/27/64/30/293276430.db2.gz DUOURCWMVFDYDK-UHFFFAOYSA-N 1 0 281.312 1.333 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000262614208 535032617 /nfs/dbraw/zinc/03/26/17/535032617.db2.gz XRFQOSSLTIDHFI-SNVBAGLBSA-N 1 0 280.328 1.424 20 5 CDBDRO CCO[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000610485192 346297133 /nfs/dbraw/zinc/29/71/33/346297133.db2.gz BBRGSZWUJSEDBU-NSHDSACASA-N 1 0 268.317 1.292 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000085365760 179036412 /nfs/dbraw/zinc/03/64/12/179036412.db2.gz VDNCFWZHFHNMIT-WQAKAFBOSA-N 1 0 277.324 1.899 20 5 CDBDRO COC1CC([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000221067275 346346188 /nfs/dbraw/zinc/34/61/88/346346188.db2.gz BWNRCWSCEIGFTK-UHFFFAOYSA-N 1 0 266.297 1.741 20 5 CDBDRO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000122553470 347657407 /nfs/dbraw/zinc/65/74/07/347657407.db2.gz VMSILCDQHLUSIR-GWCFXTLKSA-N 1 0 277.324 1.794 20 5 CDBDRO C[C@]1(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000128805168 187391739 /nfs/dbraw/zinc/39/17/39/187391739.db2.gz HJNDKAKYCMHZLS-AWEZNQCLSA-N 1 0 295.314 1.853 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000025149476 348620011 /nfs/dbraw/zinc/62/00/11/348620011.db2.gz RYAYDFMMRHBHLB-QMMMGPOBSA-N 1 0 285.731 1.928 20 5 CDBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CCCO)CC1 ZINC000058040023 348853606 /nfs/dbraw/zinc/85/36/06/348853606.db2.gz ULMWAZQLXONYPC-UHFFFAOYSA-N 1 0 265.313 1.099 20 5 CDBDRO C[NH+](C)C1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000058863672 348872420 /nfs/dbraw/zinc/87/24/20/348872420.db2.gz SEDBCUGHAOHRNP-UHFFFAOYSA-N 1 0 283.353 1.823 20 5 CDBDRO C[N@H+](CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000067701840 349032952 /nfs/dbraw/zinc/03/29/52/349032952.db2.gz WWXSLXPLCDWUQA-RMKNXTFCSA-N 1 0 289.335 1.818 20 5 CDBDRO C[N@H+](CCNC(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000067701373 349033598 /nfs/dbraw/zinc/03/35/98/349033598.db2.gz SQVQKQWTSRUULM-UHFFFAOYSA-N 1 0 263.297 1.419 20 5 CDBDRO COCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1 ZINC000091484511 180167280 /nfs/dbraw/zinc/16/72/80/180167280.db2.gz XRFXFAUZWBQEJQ-UHFFFAOYSA-N 1 0 267.329 1.975 20 5 CDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000110796687 186325767 /nfs/dbraw/zinc/32/57/67/186325767.db2.gz PBSSPNJHOHNSJG-JTQLQIEISA-N 1 0 278.312 1.716 20 5 CDBDRO CC[N@@H+]1CCN(c2ccc(N)c([N+](=O)[O-])n2)C[C@H]1C ZINC000311916211 350732312 /nfs/dbraw/zinc/73/23/12/350732312.db2.gz FXLYUKHOMWZHDM-SECBINFHSA-N 1 0 265.317 1.102 20 5 CDBDRO CN(c1ncnc2sc([N+](=O)[O-])cc21)[C@H](C[NH3+])C1CC1 ZINC000312710478 350789763 /nfs/dbraw/zinc/78/97/63/350789763.db2.gz FTMINIBMFCHIHP-SECBINFHSA-N 1 0 293.352 1.773 20 5 CDBDRO CC(C)C[NH+]1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000312931778 350803424 /nfs/dbraw/zinc/80/34/24/350803424.db2.gz FBGXLIGXYTWWMM-UHFFFAOYSA-N 1 0 279.344 1.350 20 5 CDBDRO Cc1ccc(C(=O)NC2(C[NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000111831613 186461845 /nfs/dbraw/zinc/46/18/45/186461845.db2.gz CERUWLGFHVBZCK-UHFFFAOYSA-N 1 0 277.324 1.905 20 5 CDBDRO COc1ccc(C[NH2+]CC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000036781771 363012349 /nfs/dbraw/zinc/01/23/49/363012349.db2.gz JNBSPJAKJQFVDL-UHFFFAOYSA-N 1 0 281.312 1.218 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000156140076 351451634 /nfs/dbraw/zinc/45/16/34/351451634.db2.gz RACJXCOUTQZRKG-VHSXEESVSA-N 1 0 299.352 1.095 20 5 CDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000122196979 187020247 /nfs/dbraw/zinc/02/02/47/187020247.db2.gz JREAJDMENGSDTI-NSHDSACASA-N 1 0 271.342 1.760 20 5 CDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000122682282 187045668 /nfs/dbraw/zinc/04/56/68/187045668.db2.gz LYWMIKMQBLPCCK-VIFPVBQESA-N 1 0 269.301 1.633 20 5 CDBDRO COCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000271612615 191240908 /nfs/dbraw/zinc/24/09/08/191240908.db2.gz KMDAAODSHGOFKI-LBPRGKRZSA-N 1 0 265.313 1.727 20 5 CDBDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000292448064 198292341 /nfs/dbraw/zinc/29/23/41/198292341.db2.gz PENKPHYJYAQANF-GWCFXTLKSA-N 1 0 250.298 1.940 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H](C)O ZINC000156303152 188254345 /nfs/dbraw/zinc/25/43/45/188254345.db2.gz KLWGTJZRHJJNSQ-NSHDSACASA-N 1 0 295.339 1.544 20 5 CDBDRO C[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000156869105 188285455 /nfs/dbraw/zinc/28/54/55/188285455.db2.gz OJGGBSFJHFLBAJ-BDAKNGLRSA-N 1 0 251.286 1.194 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CO)[C@@H]2CCCOC2)cc1 ZINC000411996574 363402565 /nfs/dbraw/zinc/40/25/65/363402565.db2.gz SCWPRFADIHGXIX-UKRRQHHQSA-N 1 0 294.351 1.514 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000063193317 363382775 /nfs/dbraw/zinc/38/27/75/363382775.db2.gz QHRDELCXLZTONR-YPMHNXCESA-N 1 0 291.351 1.866 20 5 CDBDRO C[C@@](O)(C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000336794813 356262027 /nfs/dbraw/zinc/26/20/27/356262027.db2.gz FVINDQFZHFRROM-CYBMUJFWSA-N 1 0 250.298 1.845 20 5 CDBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1O ZINC000286369741 356268961 /nfs/dbraw/zinc/26/89/61/356268961.db2.gz GFNCPMJSQDNPHO-MCIONIFRSA-N 1 0 280.324 1.473 20 5 CDBDRO COC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)OC ZINC000336813921 356272986 /nfs/dbraw/zinc/27/29/86/356272986.db2.gz VWYIPSKXFJHRCW-LLVKDONJSA-N 1 0 272.276 1.485 20 5 CDBDRO CC(=O)c1cc(NC[C@](C)(O)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000286387966 356279765 /nfs/dbraw/zinc/27/97/65/356279765.db2.gz YSIOBEHJHWVGRB-AWEZNQCLSA-N 1 0 295.339 1.522 20 5 CDBDRO O=C(CC[C@@H]1CC[NH2+]C1)NCc1ccccc1[N+](=O)[O-] ZINC000134553332 356337532 /nfs/dbraw/zinc/33/75/32/356337532.db2.gz JLVVKAATRVXSNE-LLVKDONJSA-N 1 0 277.324 1.601 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1C[NH2+]C1 ZINC000578331657 356450158 /nfs/dbraw/zinc/45/01/58/356450158.db2.gz NRRUPSKQTSNVAD-UHFFFAOYSA-N 1 0 264.285 1.305 20 5 CDBDRO CC(C)[C@@H]([NH3+])C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810228 356539391 /nfs/dbraw/zinc/53/93/91/356539391.db2.gz JTLABKAEROGQGN-GFCCVEGCSA-N 1 0 265.313 1.537 20 5 CDBDRO CCC[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000266140287 363495342 /nfs/dbraw/zinc/49/53/42/363495342.db2.gz OLLYEEICGSMKBG-UHFFFAOYSA-N 1 0 291.351 1.692 20 5 CDBDRO C[C@@H]1[C@H](O)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000590762208 358512267 /nfs/dbraw/zinc/51/22/67/358512267.db2.gz AYYMXRWBUCHHDX-ZWNOBZJWSA-N 1 0 293.323 1.379 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000221525096 357258515 /nfs/dbraw/zinc/25/85/15/357258515.db2.gz AJFGNONVJHMXOR-GXTWGEPZSA-N 1 0 289.335 1.348 20 5 CDBDRO COc1cccc(NC[C@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC000135060252 357314817 /nfs/dbraw/zinc/31/48/17/357314817.db2.gz UMBGXHSJVOSHFJ-SECBINFHSA-N 1 0 267.285 1.004 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[NH2+]C1 ZINC000120246660 357394071 /nfs/dbraw/zinc/39/40/71/357394071.db2.gz ZRBXIJDSLKKOPL-LLVKDONJSA-N 1 0 263.297 1.006 20 5 CDBDRO CC(C)(CC(N)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000186214623 357625033 /nfs/dbraw/zinc/62/50/33/357625033.db2.gz SGNKNCYJKOOLIC-UHFFFAOYSA-N 1 0 251.286 1.338 20 5 CDBDRO Cc1cc(C(=O)N2CCC[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000135211432 357770041 /nfs/dbraw/zinc/77/00/41/357770041.db2.gz KOCHKMQWDZPHNT-NSHDSACASA-N 1 0 263.297 1.467 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000135212282 357770487 /nfs/dbraw/zinc/77/04/87/357770487.db2.gz MQSPREZUSFLJJA-SNVBAGLBSA-N 1 0 295.314 1.806 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000188389473 357890152 /nfs/dbraw/zinc/89/01/52/357890152.db2.gz IEUXWFWEHXXQIU-SECBINFHSA-N 1 0 295.364 1.751 20 5 CDBDRO COc1cc(NCC[N@@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000188495445 357904384 /nfs/dbraw/zinc/90/43/84/357904384.db2.gz QTEMTBDNPZXGNC-UHFFFAOYSA-N 1 0 295.339 1.738 20 5 CDBDRO CCN(CCC[NH+](C)C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000188922827 357952381 /nfs/dbraw/zinc/95/23/81/357952381.db2.gz SIFSZJWMRWUEQD-UHFFFAOYSA-N 1 0 294.355 1.591 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H](C)O ZINC000361506802 358244483 /nfs/dbraw/zinc/24/44/83/358244483.db2.gz NBUZSIQGBXRGFE-SECBINFHSA-N 1 0 254.286 1.416 20 5 CDBDRO COc1ccc(C[NH2+]CCCCO)cc1[N+](=O)[O-] ZINC000193284181 358280700 /nfs/dbraw/zinc/28/07/00/358280700.db2.gz FHAVOLAEXVJEQI-UHFFFAOYSA-N 1 0 254.286 1.466 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000193545746 358302480 /nfs/dbraw/zinc/30/24/80/358302480.db2.gz QILKTRYBSWIQNW-MNOVXSKESA-N 1 0 293.323 1.230 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)cc1[N+](=O)[O-] ZINC000193680903 358315193 /nfs/dbraw/zinc/31/51/93/358315193.db2.gz URADRWWIXUUVEZ-MFKMUULPSA-N 1 0 277.324 1.517 20 5 CDBDRO COC(=O)CN(CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000098142804 358663331 /nfs/dbraw/zinc/66/33/31/358663331.db2.gz OKUVJTJQKXTQIV-UHFFFAOYSA-N 1 0 296.323 1.857 20 5 CDBDRO C[C@@H]1C[C@H](C)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341581611 358666467 /nfs/dbraw/zinc/66/64/67/358666467.db2.gz HDDNINNHMZTCOS-WDEREUQCSA-N 1 0 265.313 1.487 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000264899341 358758669 /nfs/dbraw/zinc/75/86/69/358758669.db2.gz LDPYDNKUFVGEHC-JTQLQIEISA-N 1 0 295.339 1.673 20 5 CDBDRO C[NH+](C)[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])C1CC1 ZINC000342040321 358905420 /nfs/dbraw/zinc/90/54/20/358905420.db2.gz GGBOURMLHMLAAU-GFCCVEGCSA-N 1 0 292.339 1.446 20 5 CDBDRO CC1(C)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000341184792 366522880 /nfs/dbraw/zinc/52/28/80/366522880.db2.gz LNLMQFNOUGVGNK-UHFFFAOYSA-N 1 0 252.318 1.913 20 5 CDBDRO C[C@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000539529368 359018550 /nfs/dbraw/zinc/01/85/50/359018550.db2.gz OXPNSVPEMOHYAX-JPVGGKMYSA-N 1 0 298.364 1.631 20 5 CDBDRO CC1(C)C[C@@H](O)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000451802451 359082552 /nfs/dbraw/zinc/08/25/52/359082552.db2.gz NVIZXFAYCSIDBD-LBPRGKRZSA-N 1 0 282.344 1.274 20 5 CDBDRO O=[N+]([O-])c1ccn(CCN2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC000357941776 359100738 /nfs/dbraw/zinc/10/07/38/359100738.db2.gz TUGDLECOOUELGL-ZDUSSCGKSA-N 1 0 293.371 1.352 20 5 CDBDRO CCc1ccc(C(=O)NCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000342610710 359134159 /nfs/dbraw/zinc/13/41/59/359134159.db2.gz UXEMZLLKOINKQA-UHFFFAOYSA-N 1 0 277.324 1.768 20 5 CDBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000569461915 359237929 /nfs/dbraw/zinc/23/79/29/359237929.db2.gz NAJQWRFCXKWZGK-DOMZBBRYSA-N 1 0 291.351 1.927 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000570079382 359287958 /nfs/dbraw/zinc/28/79/58/359287958.db2.gz IFTVSUATPIYRJS-LBPRGKRZSA-N 1 0 291.351 1.954 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000112926405 359365436 /nfs/dbraw/zinc/36/54/36/359365436.db2.gz SOYXBEDFZAMFPG-UHFFFAOYSA-N 1 0 281.312 1.285 20 5 CDBDRO C[C@H]([NH2+]CCCC(=O)NC(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000296728547 359394234 /nfs/dbraw/zinc/39/42/34/359394234.db2.gz NRQGGGGSNNBEKJ-VIFPVBQESA-N 1 0 294.311 1.221 20 5 CDBDRO [NH3+]C[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000087383760 283494134 /nfs/dbraw/zinc/49/41/34/283494134.db2.gz AWUNAXLWSJVYLE-JTQLQIEISA-N 1 0 283.715 1.715 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000044540704 283499400 /nfs/dbraw/zinc/49/94/00/283499400.db2.gz GUHGNXDDIMFHFF-SECBINFHSA-N 1 0 269.326 1.610 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000130368369 359917669 /nfs/dbraw/zinc/91/76/69/359917669.db2.gz CJHRIEIUOUCDHR-MRVPVSSYSA-N 1 0 254.290 1.170 20 5 CDBDRO C[C@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000235614341 360212513 /nfs/dbraw/zinc/21/25/13/360212513.db2.gz MSVOPFBMBNQBFM-AAEUAGOBSA-N 1 0 291.351 1.723 20 5 CDBDRO Cc1nc(N2CC[N@@H+](C)C[C@H]2C(C)C)ncc1[N+](=O)[O-] ZINC000514839882 360236132 /nfs/dbraw/zinc/23/61/32/360236132.db2.gz CBLDUCDCPCNDNG-LBPRGKRZSA-N 1 0 279.344 1.470 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000235678433 360266830 /nfs/dbraw/zinc/26/68/30/360266830.db2.gz AMABNEPWOBLJBC-JQWIXIFHSA-N 1 0 277.324 1.774 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CCC1CC[NH2+]CC1 ZINC000566182242 316504313 /nfs/dbraw/zinc/50/43/13/316504313.db2.gz BBVFJQAZIBAECM-UHFFFAOYSA-N 1 0 251.286 1.146 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC[C@H]21 ZINC000408338066 360662926 /nfs/dbraw/zinc/66/29/26/360662926.db2.gz ISDLTZGAKPCEGT-ZWNOBZJWSA-N 1 0 292.339 1.479 20 5 CDBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000179083778 189168034 /nfs/dbraw/zinc/16/80/34/189168034.db2.gz CQCLKMYMARTSAF-LLVKDONJSA-N 1 0 297.742 1.611 20 5 CDBDRO CC(C)[NH2+]CCC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000564726752 360920541 /nfs/dbraw/zinc/92/05/41/360920541.db2.gz PJYDUUHOWOJWLO-UHFFFAOYSA-N 1 0 295.339 1.478 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000063545772 361040157 /nfs/dbraw/zinc/04/01/57/361040157.db2.gz AUEPRFSVRNLXOQ-GFCCVEGCSA-N 1 0 266.297 1.430 20 5 CDBDRO C[C@H]([NH2+]CC(=O)NCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000180426089 189255023 /nfs/dbraw/zinc/25/50/23/189255023.db2.gz SRXQVLAULJKUSM-JTQLQIEISA-N 1 0 277.324 1.772 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000035121782 361265010 /nfs/dbraw/zinc/26/50/10/361265010.db2.gz KSVYJLMQXRJJIH-VIFPVBQESA-N 1 0 253.306 1.225 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000053253055 361403452 /nfs/dbraw/zinc/40/34/52/361403452.db2.gz SSZRDIVLMIQUAU-JTQLQIEISA-N 1 0 263.297 1.385 20 5 CDBDRO C[NH2+]CCCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000036279859 361418994 /nfs/dbraw/zinc/41/89/94/361418994.db2.gz PTZTVFRKKZZBOY-BQYQJAHWSA-N 1 0 263.297 1.334 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000137110701 363799883 /nfs/dbraw/zinc/79/98/83/363799883.db2.gz AVBGZKWUGPYCCW-SNVBAGLBSA-N 1 0 251.286 1.370 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[NH2+]C1(CO)CCCC1 ZINC000305208969 239382782 /nfs/dbraw/zinc/38/27/82/239382782.db2.gz GSZQYLHBVFCZAW-UHFFFAOYSA-N 1 0 280.324 1.868 20 5 CDBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000456172472 363959556 /nfs/dbraw/zinc/95/95/56/363959556.db2.gz PTXNBANUIGLRCL-UHFFFAOYSA-N 1 0 283.332 1.168 20 5 CDBDRO C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000088058916 364049592 /nfs/dbraw/zinc/04/95/92/364049592.db2.gz MBEIEZNKDBSCTP-MRVPVSSYSA-N 1 0 283.715 1.682 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000088147682 364261345 /nfs/dbraw/zinc/26/13/45/364261345.db2.gz RQIOBSIDOCWIMU-LBPRGKRZSA-N 1 0 291.351 1.975 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C[NH3+])C2)c1 ZINC000088147693 364264136 /nfs/dbraw/zinc/26/41/36/364264136.db2.gz ROIDNXSBOXQEIG-LLVKDONJSA-N 1 0 277.324 1.714 20 5 CDBDRO COC[C@H](CCO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293738489 364463478 /nfs/dbraw/zinc/46/34/78/364463478.db2.gz NJJSQPSGESNZMQ-ONGXEEELSA-N 1 0 283.328 1.225 20 5 CDBDRO Cc1cnc(NCC[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000295936725 370783317 /nfs/dbraw/zinc/78/33/17/370783317.db2.gz HSBVJQQSZTWYFT-UHFFFAOYSA-N 1 0 280.328 1.167 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000149166875 364759283 /nfs/dbraw/zinc/75/92/83/364759283.db2.gz ORRMUSVYRWGTDP-VIFPVBQESA-N 1 0 297.742 1.930 20 5 CDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000340974908 365062994 /nfs/dbraw/zinc/06/29/94/365062994.db2.gz JDMXOROOXZGHIP-LBPRGKRZSA-N 1 0 293.323 1.045 20 5 CDBDRO CC[C@@H]([NH2+]C[C@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000181731189 365038016 /nfs/dbraw/zinc/03/80/16/365038016.db2.gz KSNITOHQSQVYJT-ZIAGYGMSSA-N 1 0 280.324 1.787 20 5 CDBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000564137956 365389796 /nfs/dbraw/zinc/38/97/96/365389796.db2.gz DPUAMIFTOUZMTA-NSHDSACASA-N 1 0 296.371 1.784 20 5 CDBDRO CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000290256194 365465391 /nfs/dbraw/zinc/46/53/91/365465391.db2.gz URTMBMAFCNCQID-OSMZGAPFSA-N 1 0 280.324 1.968 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[NH2+]CC1 ZINC000414648398 241300406 /nfs/dbraw/zinc/30/04/06/241300406.db2.gz BENMRBNCIOAGTE-UHFFFAOYSA-N 1 0 294.311 1.431 20 5 CDBDRO COc1cc(C[NH2+][C@H]2CCSC2)c([N+](=O)[O-])cc1O ZINC000271972786 367045971 /nfs/dbraw/zinc/04/59/71/367045971.db2.gz WYNMFHBNWMOQLB-VIFPVBQESA-N 1 0 284.337 1.904 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000090321218 367030457 /nfs/dbraw/zinc/03/04/57/367030457.db2.gz UVSWJAWBUPXZMU-TXEJJXNPSA-N 1 0 275.308 1.195 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1CO ZINC000276741377 367364779 /nfs/dbraw/zinc/36/47/79/367364779.db2.gz DFAZKRGBIOXKSK-KOLCDFICSA-N 1 0 268.288 1.794 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCC[C@@H]2OC(F)F)c1 ZINC000348522617 367456607 /nfs/dbraw/zinc/45/66/07/367456607.db2.gz YMNOBZPLBBBEGD-ZJUUUORDSA-N 1 0 290.270 1.541 20 5 CDBDRO C[C@H](NC(=O)NC(C)(C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417136652 242333467 /nfs/dbraw/zinc/33/34/67/242333467.db2.gz LFHMNFNNWAGXQJ-VIFPVBQESA-N 1 0 280.328 1.692 20 5 CDBDRO C[NH2+]CCCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417238729 242377419 /nfs/dbraw/zinc/37/74/19/242377419.db2.gz YYILMOGIEOBRGE-UHFFFAOYSA-N 1 0 280.328 1.046 20 5 CDBDRO Cc1cnc(NC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000090692559 367777425 /nfs/dbraw/zinc/77/74/25/367777425.db2.gz BGZIZQAWAQIQHU-SNVBAGLBSA-N 1 0 250.302 1.710 20 5 CDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000161994168 367923085 /nfs/dbraw/zinc/92/30/85/367923085.db2.gz AXKSLUKBKZKMQX-LBPRGKRZSA-N 1 0 297.359 1.013 20 5 CDBDRO Cc1nn(C)c(N(C)CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000301157690 368094626 /nfs/dbraw/zinc/09/46/26/368094626.db2.gz AQUKOAYZLJLHPE-UHFFFAOYSA-N 1 0 281.360 1.415 20 5 CDBDRO CCOC(=O)c1ccnc(N[C@@H](C)CCC[NH3+])c1[N+](=O)[O-] ZINC000420273473 244009535 /nfs/dbraw/zinc/00/95/35/244009535.db2.gz XMXVPKUHTPVRRK-VIFPVBQESA-N 1 0 296.327 1.706 20 5 CDBDRO CN(CCOc1cccc([N+](=O)[O-])c1)C1(C[NH3+])CCC1 ZINC000420321025 244081956 /nfs/dbraw/zinc/08/19/56/244081956.db2.gz CDIZHCDUROBELM-UHFFFAOYSA-N 1 0 279.340 1.787 20 5 CDBDRO Cc1cnc(N(C)C[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000420637560 244303045 /nfs/dbraw/zinc/30/30/45/244303045.db2.gz OYJLVAAVVQIXKK-NSHDSACASA-N 1 0 264.329 1.829 20 5 CDBDRO CC[NH+](CC)CCNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000053548175 370251443 /nfs/dbraw/zinc/25/14/43/370251443.db2.gz YPWZMTQAZPANCE-UHFFFAOYSA-N 1 0 294.355 1.708 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H](C)C1C[NH2+]C1 ZINC000422714787 245173049 /nfs/dbraw/zinc/17/30/49/245173049.db2.gz LLKGLGXREDSPEY-SECBINFHSA-N 1 0 265.313 1.301 20 5 CDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COC[C@H]1O ZINC000296026458 372090578 /nfs/dbraw/zinc/09/05/78/372090578.db2.gz SITYFMUISTYTRI-ZKYQVNSYSA-N 1 0 280.324 1.265 20 5 CDBDRO O=C(NCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298875945 372332429 /nfs/dbraw/zinc/33/24/29/372332429.db2.gz LXRATKMMYNBTHA-UHFFFAOYSA-N 1 0 266.301 1.139 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000169003085 373856600 /nfs/dbraw/zinc/85/66/00/373856600.db2.gz RIFHGBRMSAYFQW-QMMMGPOBSA-N 1 0 268.273 1.865 20 5 CDBDRO C[NH2+]CCCN(C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420391187 374295994 /nfs/dbraw/zinc/29/59/94/374295994.db2.gz RSXLAXCVPZTCIS-NSHDSACASA-N 1 0 294.355 1.463 20 5 CDBDRO Cc1c(CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000423806765 246104097 /nfs/dbraw/zinc/10/40/97/246104097.db2.gz IQLWIALPHZPLHF-DOMZBBRYSA-N 1 0 289.335 1.519 20 5 CDBDRO Cc1c(CNC(=O)[C@]23C[C@H]2CC[NH2+]3)cccc1[N+](=O)[O-] ZINC000423795363 246090041 /nfs/dbraw/zinc/09/00/41/246090041.db2.gz FPJWBZAUSHSCQK-RISCZKNCSA-N 1 0 275.308 1.271 20 5 CDBDRO CC[C@@H]([NH2+]C[C@@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423523854 374387872 /nfs/dbraw/zinc/38/78/72/374387872.db2.gz NUJZHNCRLJXNHQ-UONOGXRCSA-N 1 0 279.340 1.624 20 5 CDBDRO C[C@H]([NH3+])CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423851940 246145171 /nfs/dbraw/zinc/14/51/71/246145171.db2.gz SOUXHCWGSARPTD-ZETCQYMHSA-N 1 0 271.704 1.602 20 5 CDBDRO Cc1c(C(=O)N(C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000080393281 374464669 /nfs/dbraw/zinc/46/46/69/374464669.db2.gz LDWOCQQMNNCWRM-UHFFFAOYSA-N 1 0 265.313 1.537 20 5 CDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1C[C@]12CC[NH2+]C2 ZINC000376245503 374549069 /nfs/dbraw/zinc/54/90/69/374549069.db2.gz RWEWZGPSEAETJB-DOMZBBRYSA-N 1 0 289.335 1.253 20 5 CDBDRO CCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(N)=O ZINC000429121837 374569538 /nfs/dbraw/zinc/56/95/38/374569538.db2.gz NBDHQESRCIISOJ-UHFFFAOYSA-N 1 0 281.312 1.171 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@@H]2C[C@@H]21 ZINC001580544091 1172465096 /nfs/dbraw/zinc/46/50/96/1172465096.db2.gz ANQAUKTWITYAEK-OLZOCXBDSA-N 1 0 275.308 1.100 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000274616911 374677454 /nfs/dbraw/zinc/67/74/54/374677454.db2.gz QLEGOOHJJNRGFA-OUAUKWLOSA-N 1 0 266.297 1.083 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000154567315 374713688 /nfs/dbraw/zinc/71/36/88/374713688.db2.gz GXLJAFQDBHDCHK-UHFFFAOYSA-N 1 0 291.311 1.201 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1(N2CCOCC2)CC1 ZINC000277445489 374787920 /nfs/dbraw/zinc/78/79/20/374787920.db2.gz FPGAJISMMVIWNA-UHFFFAOYSA-N 1 0 291.351 1.549 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1 ZINC000280204148 374985571 /nfs/dbraw/zinc/98/55/71/374985571.db2.gz FCBMZVJVHXIFNJ-STQMWFEESA-N 1 0 280.324 1.329 20 5 CDBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332685315 375042151 /nfs/dbraw/zinc/04/21/51/375042151.db2.gz UKKFENGVTVILCS-ZDUSSCGKSA-N 1 0 282.344 1.455 20 5 CDBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332681876 375042826 /nfs/dbraw/zinc/04/28/26/375042826.db2.gz SYWBFPBYTKJSRA-AWEZNQCLSA-N 1 0 296.371 1.701 20 5 CDBDRO COCC[C@@H](CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000282212176 375071765 /nfs/dbraw/zinc/07/17/65/375071765.db2.gz MCYMDHXWDHGJTC-LBPRGKRZSA-N 1 0 268.313 1.390 20 5 CDBDRO COc1cc(C(=O)NC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000299656280 375192063 /nfs/dbraw/zinc/19/20/63/375192063.db2.gz YHJHKWHVMBKGAL-VIFPVBQESA-N 1 0 281.312 1.283 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000132016900 375395810 /nfs/dbraw/zinc/39/58/10/375395810.db2.gz LQMVHAQXVZVDOV-IUCAKERBSA-N 1 0 281.287 1.543 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000162414585 375347793 /nfs/dbraw/zinc/34/77/93/375347793.db2.gz INJPDAJDELVXKD-WDEREUQCSA-N 1 0 277.324 1.903 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN[C@@H](CO)c1ccsc1 ZINC000352032560 375348791 /nfs/dbraw/zinc/34/87/91/375348791.db2.gz MJYHPKGENUUAML-VIFPVBQESA-N 1 0 282.325 1.213 20 5 CDBDRO C[C@H](O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000162746424 375503706 /nfs/dbraw/zinc/50/37/06/375503706.db2.gz PHQBKLXCQYAFMM-JQWIXIFHSA-N 1 0 250.298 1.798 20 5 CDBDRO C[C@@H](NC[C@H](O)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000305119446 375553522 /nfs/dbraw/zinc/55/35/22/375553522.db2.gz JBWQGRZLTJGYPC-MFKMUULPSA-N 1 0 267.329 1.168 20 5 CDBDRO C[N@@H+]1CCC[C@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000133212761 375721758 /nfs/dbraw/zinc/72/17/58/375721758.db2.gz RJUWUDRUNDGBNF-ZDUSSCGKSA-N 1 0 277.324 1.348 20 5 CDBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCCCCC1 ZINC000428126137 247247010 /nfs/dbraw/zinc/24/70/10/247247010.db2.gz AKKOTSFSZXTBAA-UHFFFAOYSA-N 1 0 280.328 1.704 20 5 CDBDRO C[C@@H](O)CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000354728714 375746281 /nfs/dbraw/zinc/74/62/81/375746281.db2.gz IHLWJUSZDZHNPE-NEPJUHHUSA-N 1 0 294.355 1.637 20 5 CDBDRO C[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000122817179 375806773 /nfs/dbraw/zinc/80/67/73/375806773.db2.gz IEAVVBSZVHGHHV-ZETCQYMHSA-N 1 0 256.693 1.441 20 5 CDBDRO [NH3+]CC[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(F)F ZINC000383463528 375869249 /nfs/dbraw/zinc/86/92/49/375869249.db2.gz KFVQWWQIWJDOLM-ZXCPCRMDSA-N 1 0 299.277 1.707 20 5 CDBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000171978936 377199246 /nfs/dbraw/zinc/19/92/46/377199246.db2.gz VTHAHYYMWDMOQV-GZMMTYOYSA-N 1 0 251.286 1.509 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000232740952 377415631 /nfs/dbraw/zinc/41/56/31/377415631.db2.gz BZOQRPPLPZNKOV-GFCCVEGCSA-N 1 0 293.323 1.610 20 5 CDBDRO Cc1cc(C(=O)NC[C@H](C)C[NH3+])cc([N+](=O)[O-])c1 ZINC000441620111 249892053 /nfs/dbraw/zinc/89/20/53/249892053.db2.gz KVYAVPHYTYKDTE-SECBINFHSA-N 1 0 251.286 1.228 20 5 CDBDRO C[C@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174650990 379548212 /nfs/dbraw/zinc/54/82/12/379548212.db2.gz BIFXOMPCFCOMSN-JQWIXIFHSA-N 1 0 268.317 1.027 20 5 CDBDRO C[C@H](O)[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267036262 379605316 /nfs/dbraw/zinc/60/53/16/379605316.db2.gz CEGCWWQPIDATTI-WDEREUQCSA-N 1 0 268.317 1.027 20 5 CDBDRO C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000449584954 250915249 /nfs/dbraw/zinc/91/52/49/250915249.db2.gz DYMQRLRAJHQCQZ-VHSXEESVSA-N 1 0 279.340 1.724 20 5 CDBDRO C[NH+](C)CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000450384626 251256109 /nfs/dbraw/zinc/25/61/09/251256109.db2.gz CAMOYNYCXFCXAA-GFCCVEGCSA-N 1 0 280.328 1.147 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1NC[C@H]1CCC[N@H+]1CCCO ZINC000450599530 251359668 /nfs/dbraw/zinc/35/96/68/251359668.db2.gz SLYBAFNIGMGUGB-LLVKDONJSA-N 1 0 297.330 1.993 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000280260921 194771141 /nfs/dbraw/zinc/77/11/41/194771141.db2.gz JVMWPFYDULOCIB-OLZOCXBDSA-N 1 0 280.324 1.329 20 5 CDBDRO C[NH+](C)C/C=C\C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000492614123 253256884 /nfs/dbraw/zinc/25/68/84/253256884.db2.gz FDOCEIRTJBFLTQ-ARJAWSKDSA-N 1 0 297.742 1.982 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCCS2(=O)=O)cc1 ZINC000344359452 285115123 /nfs/dbraw/zinc/11/51/23/285115123.db2.gz POYSMRZBHCSLEK-CYBMUJFWSA-N 1 0 298.364 1.652 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)cc1 ZINC000037691592 285115200 /nfs/dbraw/zinc/11/52/00/285115200.db2.gz MDSTXVZXGKBJLO-CHWSQXEVSA-N 1 0 250.298 1.988 20 5 CDBDRO CC[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCCO1 ZINC000281385090 195219825 /nfs/dbraw/zinc/21/98/25/195219825.db2.gz MNPBSXICBASXFF-ZDUSSCGKSA-N 1 0 295.339 1.257 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000285930127 390188400 /nfs/dbraw/zinc/18/84/00/390188400.db2.gz FLRIKKWYSWFZMV-ZDMBXUJBSA-N 1 0 292.339 1.293 20 5 CDBDRO C[NH2+]CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493434310 390199666 /nfs/dbraw/zinc/19/96/66/390199666.db2.gz QBTJBJITVRPKHR-HYXAFXHYSA-N 1 0 267.260 1.083 20 5 CDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])cn1 ZINC000286330419 390197897 /nfs/dbraw/zinc/19/78/97/390197897.db2.gz LLBMKOZQLLNHQZ-MNOVXSKESA-N 1 0 277.328 1.448 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000178567583 390660707 /nfs/dbraw/zinc/66/07/07/390660707.db2.gz KOSGGHVLBPYABG-VIFPVBQESA-N 1 0 263.297 1.339 20 5 CDBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000274064980 533400346 /nfs/dbraw/zinc/40/03/46/533400346.db2.gz QQNZVALRXDJJLU-VXGBXAGGSA-N 1 0 280.324 1.988 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CCNc2ccc([N+](=O)[O-])cn2)C1 ZINC000413435735 391214177 /nfs/dbraw/zinc/21/41/77/391214177.db2.gz HRRJMVREWOOOJT-NSHDSACASA-N 1 0 264.329 1.556 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000231856836 391293415 /nfs/dbraw/zinc/29/34/15/391293415.db2.gz YZGXTBXYVXJCSZ-NEPJUHHUSA-N 1 0 277.324 1.647 20 5 CDBDRO COc1ccc(NC(=O)N[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000415438682 391431673 /nfs/dbraw/zinc/43/16/73/391431673.db2.gz MIULFTNVHZHXEG-SSDOTTSWSA-N 1 0 268.273 1.072 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]([NH3+])C1 ZINC000415505977 391468507 /nfs/dbraw/zinc/46/85/07/391468507.db2.gz RBWSDNCECIPNFF-JTQLQIEISA-N 1 0 278.312 1.858 20 5 CDBDRO [NH3+]C1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000415627751 391469596 /nfs/dbraw/zinc/46/95/96/391469596.db2.gz CKVGJLLLLKHGBR-UHFFFAOYSA-N 1 0 282.275 1.689 20 5 CDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415633070 391470468 /nfs/dbraw/zinc/47/04/68/391470468.db2.gz PTBWDHWTHHRRHO-PELKAZGASA-N 1 0 294.286 1.560 20 5 CDBDRO CC[NH+](CC)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000121636061 391526104 /nfs/dbraw/zinc/52/61/04/391526104.db2.gz JBIQETMTTCPWJM-UHFFFAOYSA-N 1 0 297.330 1.734 20 5 CDBDRO CCCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000048574155 391629310 /nfs/dbraw/zinc/62/93/10/391629310.db2.gz ZAVVBVLFOMLLFK-UHFFFAOYSA-N 1 0 279.340 1.725 20 5 CDBDRO COCCN(C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000048611209 391629789 /nfs/dbraw/zinc/62/97/89/391629789.db2.gz JRXPPFRENZERMI-UHFFFAOYSA-N 1 0 281.312 1.420 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](CO)C2)c1 ZINC000265918135 391653665 /nfs/dbraw/zinc/65/36/65/391653665.db2.gz XPGMPIOUBYXCAF-NSHDSACASA-N 1 0 266.297 1.288 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000266203975 391667396 /nfs/dbraw/zinc/66/73/96/391667396.db2.gz OBKNEOMWLQKGJS-NSHDSACASA-N 1 0 279.340 1.973 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H]([NH+](C)C)C1 ZINC000192559669 391676373 /nfs/dbraw/zinc/67/63/73/391676373.db2.gz FVMWLMHMIKOYDR-LLVKDONJSA-N 1 0 281.360 1.650 20 5 CDBDRO COCC[N@H+](C)CCNc1ncc([N+](=O)[O-])s1 ZINC000189686178 130007853 /nfs/dbraw/zinc/00/78/53/130007853.db2.gz FHQYKKMKCIQUDW-UHFFFAOYSA-N 1 0 260.319 1.041 20 5 CDBDRO COc1ccc(C[NH2+]C[C@H](C)OC)cc1[N+](=O)[O-] ZINC000191221277 130204568 /nfs/dbraw/zinc/20/45/68/130204568.db2.gz OGKBHQWYWSGJHJ-VIFPVBQESA-N 1 0 254.286 1.728 20 5 CDBDRO [NH3+]C1(CNCCOc2ccccc2[N+](=O)[O-])CCC1 ZINC000342125342 130283073 /nfs/dbraw/zinc/28/30/73/130283073.db2.gz DNXDYGSMGFLTBR-UHFFFAOYSA-N 1 0 265.313 1.445 20 5 CDBDRO O=[N+]([O-])c1cccc(C[N@@H+](CC2(CO)COC2)C2CC2)c1 ZINC000305139615 391899711 /nfs/dbraw/zinc/89/97/11/391899711.db2.gz LWMZSPHRCSIRCD-UHFFFAOYSA-N 1 0 292.335 1.568 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000237333560 131024707 /nfs/dbraw/zinc/02/47/07/131024707.db2.gz SNDPRXXDEAJDBZ-UHFFFAOYSA-N 1 0 283.353 1.608 20 5 CDBDRO C[C@@H]([NH3+])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000237442565 131030838 /nfs/dbraw/zinc/03/08/38/131030838.db2.gz OTEPTQYISVFKGM-SSDOTTSWSA-N 1 0 271.704 1.554 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000238068888 131075486 /nfs/dbraw/zinc/07/54/86/131075486.db2.gz IIORAEKFDIKRBQ-GFCCVEGCSA-N 1 0 297.742 1.644 20 5 CDBDRO O=C(CC[C@H]1CC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000261821681 131171619 /nfs/dbraw/zinc/17/16/19/131171619.db2.gz IDYIIYQTJSUVLN-NSHDSACASA-N 1 0 289.335 1.874 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000262350433 131213978 /nfs/dbraw/zinc/21/39/78/131213978.db2.gz JADBYEHEBIGLMD-SNVBAGLBSA-N 1 0 292.339 1.378 20 5 CDBDRO CC(C)([NH3+])CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000122269286 392517491 /nfs/dbraw/zinc/51/74/91/392517491.db2.gz VLZXFMDQPQEJTJ-UHFFFAOYSA-N 1 0 271.704 1.715 20 5 CDBDRO Cc1cc(N2CCC[C@@H]([NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000310836499 392865384 /nfs/dbraw/zinc/86/53/84/392865384.db2.gz GWMBOZJADDVHNE-SECBINFHSA-N 1 0 253.277 1.970 20 5 CDBDRO CCC(CC)(CC(=O)OC)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000268504511 132018904 /nfs/dbraw/zinc/01/89/04/132018904.db2.gz VXWXGPPIFCICTE-UHFFFAOYSA-N 1 0 298.343 1.503 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCc3nnnn3CC2)cs1 ZINC000421395432 392934942 /nfs/dbraw/zinc/93/49/42/392934942.db2.gz INYLGSBYYZPJHN-SECBINFHSA-N 1 0 294.340 1.138 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421708212 392942123 /nfs/dbraw/zinc/94/21/23/392942123.db2.gz ZSORRPGNMAGQMD-CYBMUJFWSA-N 1 0 277.324 1.761 20 5 CDBDRO Cc1c(CC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000423585352 392964058 /nfs/dbraw/zinc/96/40/58/392964058.db2.gz BBDYOEFCZOPNJL-GXFFZTMASA-N 1 0 291.351 1.560 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CN)C1CC1 ZINC000423286173 392961265 /nfs/dbraw/zinc/96/12/65/392961265.db2.gz ZTSJUMKNSHMAGU-GWCFXTLKSA-N 1 0 263.341 1.853 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000430199667 393091095 /nfs/dbraw/zinc/09/10/95/393091095.db2.gz DDLUOEUAJGZLOY-GDLCADMTSA-N 1 0 292.335 1.806 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000430221500 393092455 /nfs/dbraw/zinc/09/24/55/393092455.db2.gz RHBIOKJIPQNTBX-MNOVXSKESA-N 1 0 280.324 1.806 20 5 CDBDRO C[S@](=O)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000116919339 393057762 /nfs/dbraw/zinc/05/77/62/393057762.db2.gz IHQKCDXZQXMYLJ-QGZVFWFLSA-N 1 0 256.327 1.453 20 5 CDBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000133253286 393173432 /nfs/dbraw/zinc/17/34/32/393173432.db2.gz FVDRJAMSGVROBH-CYBMUJFWSA-N 1 0 295.314 1.804 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCC(=O)N(C)C ZINC000449099707 393128959 /nfs/dbraw/zinc/12/89/59/393128959.db2.gz OTPUEVNXGPXMFI-GFCCVEGCSA-N 1 0 293.367 1.984 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)[C@@H]1CCOC1 ZINC000449162959 393131548 /nfs/dbraw/zinc/13/15/48/393131548.db2.gz UKVAXJUIEKZDBA-UXIGCNINSA-N 1 0 294.351 1.513 20 5 CDBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCCF ZINC000281917153 393163393 /nfs/dbraw/zinc/16/33/93/393163393.db2.gz AIOHMIYJVSBEIM-NXEZZACHSA-N 1 0 283.303 1.720 20 5 CDBDRO COc1cc(NC[C@H]2C[NH2+]CCO2)c(F)cc1[N+](=O)[O-] ZINC000227861047 140187743 /nfs/dbraw/zinc/18/77/43/140187743.db2.gz WWQGBHNMNSKSGX-MRVPVSSYSA-N 1 0 285.275 1.143 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000232233564 140221162 /nfs/dbraw/zinc/22/11/62/140221162.db2.gz PJCUOOOULOABOG-LBPRGKRZSA-N 1 0 277.324 1.775 20 5 CDBDRO [NH3+][C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261587767 140358105 /nfs/dbraw/zinc/35/81/05/140358105.db2.gz VHLGYAUSANXERA-SNVBAGLBSA-N 1 0 253.277 1.657 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261649977 140369444 /nfs/dbraw/zinc/36/94/44/140369444.db2.gz JPNAOSRGXMKXSM-ZWNOBZJWSA-N 1 0 290.323 1.811 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261653661 140369487 /nfs/dbraw/zinc/36/94/87/140369487.db2.gz YLDPBGRQZTYRNN-WCQYABFASA-N 1 0 261.325 1.636 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261743411 140383159 /nfs/dbraw/zinc/38/31/59/140383159.db2.gz SJXZGGNRHZQNBB-MNOVXSKESA-N 1 0 290.323 1.668 20 5 CDBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000036257883 397923591 /nfs/dbraw/zinc/92/35/91/397923591.db2.gz GWWGCPHPIIMRCB-SECBINFHSA-N 1 0 278.312 1.327 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000248693620 148880535 /nfs/dbraw/zinc/88/05/35/148880535.db2.gz YGXMPUJNZAPKNG-KGYLQXTDSA-N 1 0 275.308 1.404 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000261607287 148979466 /nfs/dbraw/zinc/97/94/66/148979466.db2.gz RQNLGAXOQAEHIR-VHSXEESVSA-N 1 0 267.304 1.916 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000311019443 149207413 /nfs/dbraw/zinc/20/74/13/149207413.db2.gz QSMHHANDJWGKNE-ZETCQYMHSA-N 1 0 255.249 1.201 20 5 CDBDRO Cc1c(NC(=O)[C@H]([NH3+])CC(F)F)cccc1[N+](=O)[O-] ZINC000311393863 149212989 /nfs/dbraw/zinc/21/29/89/149212989.db2.gz NWUOKSXZTMQUJA-SSDOTTSWSA-N 1 0 273.239 1.824 20 5 CDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1O ZINC000352697644 155374932 /nfs/dbraw/zinc/37/49/32/155374932.db2.gz LQHVGLBALJWPFJ-KGLIPLIRSA-N 1 0 280.324 1.819 20 5 CDBDRO C[C@H]1[NH2+]CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@H]1C ZINC000346678723 153269549 /nfs/dbraw/zinc/26/95/49/153269549.db2.gz LTDAPQWSQIXHIB-ZJUUUORDSA-N 1 0 267.304 1.916 20 5 CDBDRO Cc1ccc(C[N@@H+](C)C2CC(O)C2)cc1[N+](=O)[O-] ZINC000355375057 157013055 /nfs/dbraw/zinc/01/30/55/157013055.db2.gz YWNZMJWDCLDGEN-UHFFFAOYSA-N 1 0 250.298 1.858 20 5 CDBDRO Cc1c(CNC(=O)NCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000359547944 158283498 /nfs/dbraw/zinc/28/34/98/158283498.db2.gz QLZNKJORWRVTML-UHFFFAOYSA-N 1 0 280.328 1.264 20 5 CDBDRO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000362086139 159065330 /nfs/dbraw/zinc/06/53/30/159065330.db2.gz IEEOCHHDEBDUGS-RYUDHWBXSA-N 1 0 280.324 1.534 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090321737 163743717 /nfs/dbraw/zinc/74/37/17/163743717.db2.gz KCLCCNUTULRODJ-AOOOYVTPSA-N 1 0 276.296 1.278 20 5 CDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000021816367 171332527 /nfs/dbraw/zinc/33/25/27/171332527.db2.gz WIOBJKOOGIXAOT-SNVBAGLBSA-N 1 0 299.352 1.015 20 5 CDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000285441773 196286093 /nfs/dbraw/zinc/28/60/93/196286093.db2.gz IJBIIIVFEVOCHB-UHFFFAOYSA-N 1 0 266.297 1.430 20 5 CDBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285548309 196323359 /nfs/dbraw/zinc/32/33/59/196323359.db2.gz DTLZREFKTAXPHD-SNVBAGLBSA-N 1 0 295.343 1.026 20 5 CDBDRO C[NH+]1CCN(CCNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000037497024 173235916 /nfs/dbraw/zinc/23/59/16/173235916.db2.gz QCKXVGDIUYXCEA-UHFFFAOYSA-N 1 0 298.774 1.908 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]CCCN2CCOCC2)cs1 ZINC000037562621 173272919 /nfs/dbraw/zinc/27/29/19/173272919.db2.gz ICOTXXLXPUWFHH-UHFFFAOYSA-N 1 0 285.369 1.468 20 5 CDBDRO CC(C)[C@@H]([NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676249 174373803 /nfs/dbraw/zinc/37/38/03/174373803.db2.gz BEGJOCBPGAOXHD-GFCCVEGCSA-N 1 0 265.313 1.237 20 5 CDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000044501374 175185808 /nfs/dbraw/zinc/18/58/08/175185808.db2.gz XGBRDYSBQVOWSP-OQHXTRMZSA-N 1 0 289.335 1.724 20 5 CDBDRO C[NH2+]C[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000071142476 176040001 /nfs/dbraw/zinc/04/00/01/176040001.db2.gz FTICMIGATWJEPO-SECBINFHSA-N 1 0 255.343 1.698 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000071142474 176040363 /nfs/dbraw/zinc/04/03/63/176040363.db2.gz FTICMIGATWJEPO-VIFPVBQESA-N 1 0 255.343 1.698 20 5 CDBDRO COC[C@@H](O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000071272718 176105318 /nfs/dbraw/zinc/10/53/18/176105318.db2.gz HZUPVQNWJUYKQI-JTQLQIEISA-N 1 0 274.704 1.345 20 5 CDBDRO CN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000071310208 176117175 /nfs/dbraw/zinc/11/71/75/176117175.db2.gz WBKAARPGALQBLH-LLVKDONJSA-N 1 0 264.285 1.420 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261719615 292585885 /nfs/dbraw/zinc/58/58/85/292585885.db2.gz PXVNDQKRQIQHFZ-CYBMUJFWSA-N 1 0 290.367 1.387 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[NH2+]CCN2C)c1 ZINC000394735213 270338704 /nfs/dbraw/zinc/33/87/04/270338704.db2.gz IXWOXQMTRZOJER-NSHDSACASA-N 1 0 264.329 1.219 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000087383573 260138349 /nfs/dbraw/zinc/13/83/49/260138349.db2.gz VFXUPIVNOOJWNO-WXJAXGNASA-N 1 0 275.308 1.462 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000313250902 260272037 /nfs/dbraw/zinc/27/20/37/260272037.db2.gz FDCCSJODTJJLNB-YXZYKRAASA-N 1 0 289.335 1.946 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000313522577 260300151 /nfs/dbraw/zinc/30/01/51/260300151.db2.gz GTRUCNVJMUYXJL-HRPRIBIWSA-N 1 0 289.335 1.865 20 5 CDBDRO [NH3+]C[C@H](NC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000213321914 261214467 /nfs/dbraw/zinc/21/44/67/261214467.db2.gz VFXUPIVNOOJWNO-IRBQFCFKSA-N 1 0 275.308 1.462 20 5 CDBDRO Cc1ccc(C(=O)NC(C)(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000397184542 270346642 /nfs/dbraw/zinc/34/66/42/270346642.db2.gz KZHWJGAECKOJDE-UHFFFAOYSA-N 1 0 265.313 1.760 20 5 CDBDRO C[C@@H]1C[N@H+](C)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000408114321 274334355 /nfs/dbraw/zinc/33/43/55/274334355.db2.gz XAPAOJYUYSWKPN-MRVPVSSYSA-N 1 0 281.341 1.444 20 5 CDBDRO C[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CC[C@@H]1[NH3+] ZINC000261807174 274371488 /nfs/dbraw/zinc/37/14/88/274371488.db2.gz RXERXRAUEWDAAV-APPZFPTMSA-N 1 0 293.352 1.773 20 5 CDBDRO C[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)[C@@H](C)C[NH2+]1 ZINC000261628835 274371534 /nfs/dbraw/zinc/37/15/34/274371534.db2.gz AYUWNWLVOHCFRZ-SFYZADRCSA-N 1 0 293.352 1.786 20 5 CDBDRO Cc1cc(C(=O)N2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000019403805 274678132 /nfs/dbraw/zinc/67/81/32/274678132.db2.gz UGOZMVYPQGWOBV-UHFFFAOYSA-N 1 0 263.297 1.339 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000089106088 274949364 /nfs/dbraw/zinc/94/93/64/274949364.db2.gz YLTIOQXEUXBADD-YUMQZZPRSA-N 1 0 281.341 1.843 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CNCCO1)CCC2 ZINC000423543170 275038291 /nfs/dbraw/zinc/03/82/91/275038291.db2.gz BOIFUCFWTUPEJA-DZGCQCFKSA-N 1 0 291.351 1.550 20 5 CDBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N[C@H]1CC[NH2+]C1 ZINC000236111994 275040704 /nfs/dbraw/zinc/04/07/04/275040704.db2.gz OYPKAGMCAVACII-LURJTMIESA-N 1 0 276.218 1.782 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000086482112 275041513 /nfs/dbraw/zinc/04/15/13/275041513.db2.gz IVPAXXGRMLHNET-ZCFIWIBFSA-N 1 0 287.117 1.526 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(C[NH2+]C)CC1 ZINC000261867122 276709339 /nfs/dbraw/zinc/70/93/39/276709339.db2.gz YOVPRJFILULQQZ-UHFFFAOYSA-N 1 0 281.360 1.555 20 5 CDBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc(N)cc3[N+](=O)[O-])C2)C1 ZINC000292225326 277186155 /nfs/dbraw/zinc/18/61/55/277186155.db2.gz IITPAMVAVIAHQP-AWEZNQCLSA-N 1 0 276.340 1.709 20 5 CDBDRO C[NH2+][C@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000149413121 277300470 /nfs/dbraw/zinc/30/04/70/277300470.db2.gz IRBKHTDVWIHODH-VIFPVBQESA-N 1 0 270.720 1.831 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163581824 277747613 /nfs/dbraw/zinc/74/76/13/277747613.db2.gz UWVRHXHHPRVTNR-ZJUUUORDSA-N 1 0 295.314 1.791 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@H](C[NH3+])C1 ZINC000235316227 278541579 /nfs/dbraw/zinc/54/15/79/278541579.db2.gz RKXRHPMYRDKVIE-ZJUUUORDSA-N 1 0 280.328 1.133 20 5 CDBDRO [NH3+][C@@H]1CCCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000041030124 279143023 /nfs/dbraw/zinc/14/30/23/279143023.db2.gz GREJBGPOKXNIER-SSDOTTSWSA-N 1 0 267.314 1.232 20 5 CDBDRO [NH3+][C@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000133122957 279730472 /nfs/dbraw/zinc/73/04/72/279730472.db2.gz FFKFWXNEQKCGKD-ABZNLYFFSA-N 1 0 275.308 1.462 20 5 CDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000286477454 279997356 /nfs/dbraw/zinc/99/73/56/279997356.db2.gz WHQNVIDVFNAYSU-UWVGGRQHSA-N 1 0 292.343 1.030 20 5 CDBDRO C[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245457788 280210460 /nfs/dbraw/zinc/21/04/60/280210460.db2.gz JZDVVIZPOOXGIL-QWHCGFSZSA-N 1 0 293.367 1.966 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000185171356 280341905 /nfs/dbraw/zinc/34/19/05/280341905.db2.gz RETUBBALKJXZKQ-YNEHKIRRSA-N 1 0 289.335 1.713 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000514783988 280847796 /nfs/dbraw/zinc/84/77/96/280847796.db2.gz ZUJKIYGJHOTNBE-MNOVXSKESA-N 1 0 292.339 1.487 20 5 CDBDRO C[C@@H]1CN(c2ncccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000292732617 288281457 /nfs/dbraw/zinc/28/14/57/288281457.db2.gz IEYVNZVLBXYDGP-AOOOYVTPSA-N 1 0 250.302 1.519 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC000459697221 281022784 /nfs/dbraw/zinc/02/27/84/281022784.db2.gz YIYHTFIFBJFKGK-MJVIPROJSA-N 1 0 280.324 1.249 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000122908745 288328830 /nfs/dbraw/zinc/32/88/30/288328830.db2.gz KNBRVIXZTVHXBT-JGVFFNPUSA-N 1 0 270.720 1.830 20 5 CDBDRO CC[N@H+](C)CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255005994 289349490 /nfs/dbraw/zinc/34/94/90/289349490.db2.gz SKUWGGLMQNMROZ-HJWRWDBZSA-N 1 0 277.324 1.676 20 5 CDBDRO CC1(C)CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000255509856 289374464 /nfs/dbraw/zinc/37/44/64/289374464.db2.gz CUDNXZCFLVMMPO-YVMONPNESA-N 1 0 289.335 1.818 20 5 CDBDRO O=C(NCCC[NH+]1CCCCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000548735253 289923182 /nfs/dbraw/zinc/92/31/82/289923182.db2.gz AWSIRAVQAJZRJG-UHFFFAOYSA-N 1 0 295.343 1.314 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCn3ccnc32)cc1 ZINC000556423922 290268014 /nfs/dbraw/zinc/26/80/14/290268014.db2.gz NEDXVJKSOGETMC-ZDUSSCGKSA-N 1 0 288.307 1.905 20 5 CDBDRO C[C@H](C[NH3+])C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000565037961 293502220 /nfs/dbraw/zinc/50/22/20/293502220.db2.gz KBIQZVZAMJISEN-SNVBAGLBSA-N 1 0 277.324 1.681 20 5 CDBDRO Cc1nc(NC[C@H]2CC[N@@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000570789479 294307556 /nfs/dbraw/zinc/30/75/56/294307556.db2.gz STPKECRRHGTNAF-SNVBAGLBSA-N 1 0 277.328 1.011 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCC[C@H]1F ZINC000574750592 295048359 /nfs/dbraw/zinc/04/83/59/295048359.db2.gz ZBXSISHQJAUSOK-UTUOFQBUSA-N 1 0 298.314 1.815 20 5 CDBDRO C[NH2+][C@H](C)Cc1noc(-c2cc([N+](=O)[O-])cn2C)n1 ZINC000563624712 316346022 /nfs/dbraw/zinc/34/60/22/316346022.db2.gz SDLDJGJBBKKTGV-SSDOTTSWSA-N 1 0 265.273 1.134 20 5 CDBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000563753898 316366422 /nfs/dbraw/zinc/36/64/22/316366422.db2.gz RBAPEKQYANTROU-UHFFFAOYSA-N 1 0 295.343 1.266 20 5 CDBDRO COc1ccc(CNC(=O)CC[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000566675972 316655159 /nfs/dbraw/zinc/65/51/59/316655159.db2.gz KZDMNBJMXPBTAU-UHFFFAOYSA-N 1 0 295.339 1.608 20 5 CDBDRO C[C@@H]1[NH2+]CCN(CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000379423943 323598338 /nfs/dbraw/zinc/59/83/38/323598338.db2.gz CIQUMNIPEQEFRG-RYUDHWBXSA-N 1 0 263.341 1.820 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1OCC[C@@H]1CC[NH2+]C1 ZINC000396654613 323855298 /nfs/dbraw/zinc/85/52/98/323855298.db2.gz PPEPZOLSSBVKMZ-JTQLQIEISA-N 1 0 266.297 1.982 20 5 CDBDRO CO[C@H](C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000579672019 324247020 /nfs/dbraw/zinc/24/70/20/324247020.db2.gz QZAXRXJQPRVSLV-GRYCIOLGSA-N 1 0 282.344 1.900 20 5 CDBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000582762486 325038065 /nfs/dbraw/zinc/03/80/65/325038065.db2.gz JYTJWLRCFMAXCC-NXEZZACHSA-N 1 0 295.343 1.168 20 5 CDBDRO O=C(NC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)C1CC1 ZINC001169030154 1161998341 /nfs/dbraw/zinc/99/83/41/1161998341.db2.gz XAEOCDTWTVEIIW-FZMZJTMJSA-N 1 0 295.383 1.422 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cn(CC3CC3)cn2)C1 ZINC001168998624 1161996660 /nfs/dbraw/zinc/99/66/60/1161996660.db2.gz PBKYSCPGUINJBL-OLZOCXBDSA-N 1 0 278.356 1.828 20 5 CDBDRO CC(C)(C)[C@@H](CCO)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000183674629 518915409 /nfs/dbraw/zinc/91/54/09/518915409.db2.gz WEYXCNWOASAFJD-LLVKDONJSA-N 1 0 270.333 1.178 20 5 CDBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])n1C)C1CC1 ZINC000338436791 521072362 /nfs/dbraw/zinc/07/23/62/521072362.db2.gz NOKLJKUDFLJORZ-UHFFFAOYSA-N 1 0 280.328 1.147 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000050770038 522643391 /nfs/dbraw/zinc/64/33/91/522643391.db2.gz UPLKMOANXBYMME-JTQLQIEISA-N 1 0 292.339 1.318 20 5 CDBDRO CCc1nn(C)c(N2CCC([NH2+]C3CC3)CC2)c1[N+](=O)[O-] ZINC000367924811 522668524 /nfs/dbraw/zinc/66/85/24/522668524.db2.gz CASWFCVUGFMMIR-UHFFFAOYSA-N 1 0 293.371 1.612 20 5 CDBDRO CN(CC[NH+]1CCCC1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000157331628 522827934 /nfs/dbraw/zinc/82/79/34/522827934.db2.gz PNJYGSLINXDEGE-UHFFFAOYSA-N 1 0 292.339 1.345 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000067801338 525092843 /nfs/dbraw/zinc/09/28/43/525092843.db2.gz XPUSVWSKZOLAHP-LLVKDONJSA-N 1 0 265.313 1.267 20 5 CDBDRO C[C@H]([NH2+]CC(=O)NCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000182488480 525305544 /nfs/dbraw/zinc/30/55/44/525305544.db2.gz KMMMLRZPQFUJPW-JTQLQIEISA-N 1 0 277.324 1.772 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000261669605 525571908 /nfs/dbraw/zinc/57/19/08/525571908.db2.gz FVNMRONNHZOTCZ-GXSJLCMTSA-N 1 0 299.352 1.013 20 5 CDBDRO C[C@@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000069142285 525679493 /nfs/dbraw/zinc/67/94/93/525679493.db2.gz RBWQIKGNCUIHCY-PWSUYJOCSA-N 1 0 298.364 1.823 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000248577375 526137627 /nfs/dbraw/zinc/13/76/27/526137627.db2.gz DTZKHGHKNUCWKY-AVGNSLFASA-N 1 0 289.335 1.713 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000052943197 526725359 /nfs/dbraw/zinc/72/53/59/526725359.db2.gz SEEKDWPCXBUVJR-UHFFFAOYSA-N 1 0 263.297 1.211 20 5 CDBDRO COc1cc(C(=O)N[C@@H]2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000232237440 536503766 /nfs/dbraw/zinc/50/37/66/536503766.db2.gz PXEHISSMFNFUHV-LLVKDONJSA-N 1 0 293.323 1.475 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCn2cccn2)cc1 ZINC000067186395 527351369 /nfs/dbraw/zinc/35/13/69/527351369.db2.gz AZKYGIBMJOYSQD-UHFFFAOYSA-N 1 0 260.297 1.971 20 5 CDBDRO [NH3+][C@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050444839 527411162 /nfs/dbraw/zinc/41/11/62/527411162.db2.gz ZJYOAFIJEVREFH-JTQLQIEISA-N 1 0 255.705 1.781 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000424049211 535022640 /nfs/dbraw/zinc/02/26/40/535022640.db2.gz UCZGMOLPFFUBGP-UHFFFAOYSA-N 1 0 294.355 1.640 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417233878 535068823 /nfs/dbraw/zinc/06/88/23/535068823.db2.gz OVOSNNVQLWTHEM-UHFFFAOYSA-N 1 0 280.328 1.174 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[NH3+] ZINC000415664839 535429418 /nfs/dbraw/zinc/42/94/18/535429418.db2.gz UOPGMDROCBEXIG-QMMMGPOBSA-N 1 0 282.300 1.462 20 5 CDBDRO CCc1[nH]nc(-c2nc([C@@H]([NH3+])CC(C)C)no2)c1[N+](=O)[O-] ZINC000414619236 535997607 /nfs/dbraw/zinc/99/76/07/535997607.db2.gz NSHOYXYNQDLPMQ-ZETCQYMHSA-N 1 0 294.315 1.976 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@H](C[NH3+])C[C@@H]1C ZINC000216234908 536144460 /nfs/dbraw/zinc/14/44/60/536144460.db2.gz PEZDNCRUGFGDMM-WPRPVWTQSA-N 1 0 267.333 1.293 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000269140876 536417547 /nfs/dbraw/zinc/41/75/47/536417547.db2.gz VYYCNFAHMKOVSV-LBPRGKRZSA-N 1 0 291.351 1.693 20 5 CDBDRO COc1ccc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000234938394 536761320 /nfs/dbraw/zinc/76/13/20/536761320.db2.gz IEDSAKKCPWNZSF-MWLCHTKSSA-N 1 0 293.323 1.474 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000417173093 536953274 /nfs/dbraw/zinc/95/32/74/536953274.db2.gz GTGAFUIIXXUKIW-VIFPVBQESA-N 1 0 296.327 1.092 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H](CO)C1CC1 ZINC000734165033 575161380 /nfs/dbraw/zinc/16/13/80/575161380.db2.gz SKCBTJXAXAIUBG-DXTPNHAXSA-N 1 0 262.309 1.969 20 5 CDBDRO CC[NH+](CC)CCOC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000772187910 575670180 /nfs/dbraw/zinc/67/01/80/575670180.db2.gz ZDCPASAUMHIISD-UHFFFAOYSA-N 1 0 299.302 1.815 20 5 CDBDRO C[C@H]([NH2+][C@H](CO)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000763071532 576708950 /nfs/dbraw/zinc/70/89/50/576708950.db2.gz SAXRRBDOOKURJV-TVQRCGJNSA-N 1 0 293.323 1.282 20 5 CDBDRO C[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000749695231 576958314 /nfs/dbraw/zinc/95/83/14/576958314.db2.gz YSVAGRPIBPNONN-SMDDNHRTSA-N 1 0 279.340 1.264 20 5 CDBDRO Cc1ccc(CN[C@@H](CO)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000756994014 577019240 /nfs/dbraw/zinc/01/92/40/577019240.db2.gz JPTAQDQYAAVHRF-ZDUSSCGKSA-N 1 0 290.323 1.460 20 5 CDBDRO O=[N+]([O-])c1c(NCC[NH+]2CCC2)nc2ccccn21 ZINC000751938574 577075711 /nfs/dbraw/zinc/07/57/11/577075711.db2.gz AOJXDVDBSNMFAU-UHFFFAOYSA-N 1 0 261.285 1.360 20 5 CDBDRO O=[N+]([O-])c1c2nonc2ccc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000892000493 617398942 /nfs/dbraw/zinc/39/89/42/617398942.db2.gz QSMPYQKHXNJOLL-QMMMGPOBSA-N 1 0 289.295 1.780 20 5 CDBDRO CCCSC[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000893133122 617402328 /nfs/dbraw/zinc/40/23/28/617402328.db2.gz ATFQUSUKJXPJPE-SNVBAGLBSA-N 1 0 272.374 1.913 20 5 CDBDRO CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000963790220 614879697 /nfs/dbraw/zinc/87/96/97/614879697.db2.gz GUEADRGDAQIODZ-VTRUDKGBSA-N 1 0 281.356 1.079 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000931038850 617585500 /nfs/dbraw/zinc/58/55/00/617585500.db2.gz MMIUOCOAKYKJBC-UGFHNGPFSA-N 1 0 293.367 1.653 20 5 CDBDRO CC[C@@H](COC)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893021098 618063583 /nfs/dbraw/zinc/06/35/83/618063583.db2.gz DLAYPKVHWIWWGU-JTQLQIEISA-N 1 0 284.312 1.824 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1COCO1 ZINC000894872379 619112885 /nfs/dbraw/zinc/11/28/85/619112885.db2.gz IRKHYPBJRULAMT-GFCCVEGCSA-N 1 0 282.296 1.456 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCCCC[NH2+]2)s1 ZINC000900430623 623045679 /nfs/dbraw/zinc/04/56/79/623045679.db2.gz CZMWTQXUKOOTBQ-QMMMGPOBSA-N 1 0 256.331 1.995 20 5 CDBDRO C[C@]12C[N@H+](Cn3cc([N+](=O)[O-])cn3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000902614881 625029730 /nfs/dbraw/zinc/02/97/30/625029730.db2.gz QQDHGKPXVPUGEB-UZGDPCLZSA-N 1 0 274.324 1.893 20 5 CDBDRO COc1ccc(COCCC[NH2+]CC[N+](=O)[O-])cc1 ZINC000905090062 626605078 /nfs/dbraw/zinc/60/50/78/626605078.db2.gz SOEVNSRMAFKWCF-UHFFFAOYSA-N 1 0 268.313 1.468 20 5 CDBDRO CC(C)[C@@H](CNCC[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000905092051 626635137 /nfs/dbraw/zinc/63/51/37/626635137.db2.gz CBGAQILUPBTRNS-CYBMUJFWSA-N 1 0 257.378 1.753 20 5 CDBDRO C[C@H](C[NH2+]CC[N+](=O)[O-])Oc1ccccc1Cl ZINC000905135053 626649248 /nfs/dbraw/zinc/64/92/48/626649248.db2.gz IYMWNDODJYKGGS-SECBINFHSA-N 1 0 258.705 1.974 20 5 CDBDRO COc1cccc(O[C@H](C)C[NH2+]CC[N+](=O)[O-])c1 ZINC000905137401 626650992 /nfs/dbraw/zinc/65/09/92/626650992.db2.gz MURCCWVVVRSIAD-SNVBAGLBSA-N 1 0 254.286 1.329 20 5 CDBDRO Cc1cc(C[C@H](C)[NH2+]CC[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000905178747 626662790 /nfs/dbraw/zinc/66/27/90/626662790.db2.gz AFYWDFOUWXRSNR-LBPRGKRZSA-N 1 0 288.351 1.978 20 5 CDBDRO CC(C)(C)OC(=O)N[C@H](C[NH2+]CC[N+](=O)[O-])C1CC1 ZINC000905189350 626667806 /nfs/dbraw/zinc/66/78/06/626667806.db2.gz IGBSEZBPDOATJU-SNVBAGLBSA-N 1 0 273.333 1.156 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000905192494 626669974 /nfs/dbraw/zinc/66/99/74/626669974.db2.gz UKZJPEFQHFRCRF-LLVKDONJSA-N 1 0 267.304 1.661 20 5 CDBDRO CC(C)(C)c1nc(CC[NH2+]CC[N+](=O)[O-])cs1 ZINC000905192564 626670025 /nfs/dbraw/zinc/67/00/25/626670025.db2.gz VSZZYDVYNMZOEH-UHFFFAOYSA-N 1 0 257.359 1.849 20 5 CDBDRO Cn1cc(C[NH2+]CC[N+](=O)[O-])c(-c2ccccc2)n1 ZINC000905205199 626691238 /nfs/dbraw/zinc/69/12/38/626691238.db2.gz UPRPKZVLQSYWIM-UHFFFAOYSA-N 1 0 260.297 1.453 20 5 CDBDRO CN(c1ccc(NCC[N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000905307182 626757105 /nfs/dbraw/zinc/75/71/05/626757105.db2.gz CNAILCVQTPKXFF-UHFFFAOYSA-N 1 0 292.383 1.906 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000905367764 626786543 /nfs/dbraw/zinc/78/65/43/626786543.db2.gz VCRQLSVGCKWKKY-CHWSQXEVSA-N 1 0 268.288 1.158 20 5 CDBDRO Cc1cn(CC[C@@H]2CCCC[N@H+]2C)nc1[N+](=O)[O-] ZINC000906508415 627295897 /nfs/dbraw/zinc/29/58/97/627295897.db2.gz XJHCMJHGHKZPKB-NSHDSACASA-N 1 0 252.318 1.974 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000911622291 629369041 /nfs/dbraw/zinc/36/90/41/629369041.db2.gz DRCOGYWMRGYISF-MRVWCRGKSA-N 1 0 289.335 1.648 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911755205 629473594 /nfs/dbraw/zinc/47/35/94/629473594.db2.gz PWSYHRHYJHXCBQ-UBHSHLNASA-N 1 0 289.335 1.567 20 5 CDBDRO C[N@@H+]1CCC[C@H]1Cn1nnc(-c2ccccc2[N+](=O)[O-])n1 ZINC000912459611 630010514 /nfs/dbraw/zinc/01/05/14/630010514.db2.gz UVYJTKFEPWITAB-JTQLQIEISA-N 1 0 288.311 1.343 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1NCC1C[NH+](C)C1 ZINC001170254486 1162325962 /nfs/dbraw/zinc/32/59/62/1162325962.db2.gz MWYJJXFAZSDWDU-UHFFFAOYSA-N 1 0 279.296 1.355 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2C[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170307834 1162339829 /nfs/dbraw/zinc/33/98/29/1162339829.db2.gz IRHUYVHCAFSGFQ-JLLWLGSASA-N 1 0 280.324 1.647 20 5 CDBDRO Cc1cnc(C[NH3+])n1-c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001158164902 1162747941 /nfs/dbraw/zinc/74/79/41/1162747941.db2.gz TUNFUKCZWCOYBZ-UHFFFAOYSA-N 1 0 267.676 1.596 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H](C)[NH2+][C@@H](C)C2)n1 ZINC001158175682 1162754516 /nfs/dbraw/zinc/75/45/16/1162754516.db2.gz HTXHWDQNPLZYLE-BQBZGAKWSA-N 1 0 285.735 1.533 20 5 CDBDRO C[C@H]1CN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C[C@H](C)[NH2+]1 ZINC001158180726 1162763915 /nfs/dbraw/zinc/76/39/15/1162763915.db2.gz YUZMYDSLYTUHRC-YUMQZZPRSA-N 1 0 286.719 1.068 20 5 CDBDRO COc1cc(C)nc(-n2ccc([C@@H](C)[NH3+])n2)c1[N+](=O)[O-] ZINC001158350140 1162905847 /nfs/dbraw/zinc/90/58/47/1162905847.db2.gz YJKHFICMEJAREX-MRVPVSSYSA-N 1 0 277.284 1.512 20 5 CDBDRO COc1cc(NCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000111045972 1159574077 /nfs/dbraw/zinc/57/40/77/1159574077.db2.gz ITSCCBCOTNOBKF-UHFFFAOYSA-N 1 0 253.302 1.967 20 5 CDBDRO COc1nc(N2CC[N@H+](C(C)C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC001158493743 1163104518 /nfs/dbraw/zinc/10/45/18/1163104518.db2.gz JEBWKKADWPFNAB-JTQLQIEISA-N 1 0 295.343 1.312 20 5 CDBDRO [NH3+]CCCCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000168617516 1161106126 /nfs/dbraw/zinc/10/61/26/1161106126.db2.gz ADYNMKRCHGKOOT-UHFFFAOYSA-N 1 0 271.704 1.717 20 5 CDBDRO CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000228392986 1164458840 /nfs/dbraw/zinc/45/88/40/1164458840.db2.gz IMOYJCIFVDZFGO-ZDUSSCGKSA-N 1 0 277.324 1.348 20 5 CDBDRO CON(CC[NH3+])C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001579103752 1172095120 /nfs/dbraw/zinc/09/51/20/1172095120.db2.gz IGGCMOZYNLEPRC-UHFFFAOYSA-N 1 0 281.312 1.221 20 5 CDBDRO C[C@H](NC(=O)[C@]1(C)CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001579480504 1172194274 /nfs/dbraw/zinc/19/42/74/1172194274.db2.gz UFOYPLKOUUGOMV-IINYFYTJSA-N 1 0 277.324 1.772 20 5 CDBDRO [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC001580400217 1172424219 /nfs/dbraw/zinc/42/42/19/1172424219.db2.gz PNTFFPSDORHAAJ-WDEREUQCSA-N 1 0 287.279 1.066 20 5 CDBDRO O=C([C@H]1CC[NH2+]1)N1CCCCc2cc([N+](=O)[O-])ccc21 ZINC001580807175 1172544955 /nfs/dbraw/zinc/54/49/55/1172544955.db2.gz FXHHWOYFPPMRHM-GFCCVEGCSA-N 1 0 275.308 1.626 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@H]4C[NH2+]C[C@H]43)nc2c1 ZINC001580875812 1172558141 /nfs/dbraw/zinc/55/81/41/1172558141.db2.gz RTVLNOXHDUCMFQ-TVQRCGJNSA-N 1 0 287.323 1.265 20 5 CDBDRO COc1ccc(NC(=O)C[NH2+]C(C)(C)C)cc1[N+](=O)[O-] ZINC000136360408 1175828814 /nfs/dbraw/zinc/82/88/14/1175828814.db2.gz HPMNYDZMHKBNDD-UHFFFAOYSA-N 1 0 281.312 1.930 20 5 CDBDRO CC(C)(C)[NH+]1CCN(c2nc(Cl)ncc2[N+](=O)[O-])CC1 ZINC000232499790 1178194329 /nfs/dbraw/zinc/19/43/29/1178194329.db2.gz HHOUATQHQHWTQM-UHFFFAOYSA-N 1 0 299.762 1.959 20 5 CDBDRO CC(C)[C@@H](CN(C)C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158631499 1178226622 /nfs/dbraw/zinc/22/66/22/1178226622.db2.gz JNVPGQAUNIEHOX-CABCVRRESA-N 1 0 295.383 1.804 20 5 CDBDRO C[C@H](CC(F)(F)F)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000235451224 1178238086 /nfs/dbraw/zinc/23/80/86/1178238086.db2.gz PETHEUYXHGXBIO-APPZFPTMSA-N 1 0 296.249 1.083 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cc(N2CC[NH2+]C3(CC3)C2)n1 ZINC001158936849 1163845924 /nfs/dbraw/zinc/84/59/24/1163845924.db2.gz SYKWLALKCXMHDF-UHFFFAOYSA-N 1 0 268.704 1.585 20 5 CDBDRO C[N@@H+]1CCO[C@H]2CN(c3cc(Cl)ncc3[N+](=O)[O-])C[C@H]21 ZINC001164669523 719378102 /nfs/dbraw/zinc/37/81/02/719378102.db2.gz QNDSIHRJKWXSEG-MNOVXSKESA-N 1 0 298.730 1.162 20 5 CDBDRO C[N@@H+]1CCO[C@H]2CN(c3cc(Cl)cc([N+](=O)[O-])n3)C[C@H]21 ZINC001164664977 719386309 /nfs/dbraw/zinc/38/63/09/719386309.db2.gz DFPGDJFSTOSHHP-ZJUUUORDSA-N 1 0 298.730 1.162 20 5 CDBDRO Cc1nc(N2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000268494474 721885698 /nfs/dbraw/zinc/88/56/98/721885698.db2.gz ORMBUQCWJXRALT-NSHDSACASA-N 1 0 264.329 1.829 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000591144210 721889469 /nfs/dbraw/zinc/88/94/69/721889469.db2.gz ULTFGDAGHADSPL-SECBINFHSA-N 1 0 268.292 1.659 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[NH2+]C1CC1 ZINC000876522113 751357058 /nfs/dbraw/zinc/35/70/58/751357058.db2.gz IFQLLONBOLNIPD-UHFFFAOYSA-N 1 0 277.324 1.693 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)N(C)C ZINC000866347679 751360210 /nfs/dbraw/zinc/36/02/10/751360210.db2.gz VXKDTZKCRJONKO-ZJUUUORDSA-N 1 0 297.330 1.731 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@H]1c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000823270847 751457785 /nfs/dbraw/zinc/45/77/85/751457785.db2.gz VZOVLWBBWNDIKJ-NKWVEPMBSA-N 1 0 264.241 1.703 20 5 CDBDRO CC(C)(CCc1noc(-c2ccc(C[NH3+])o2)n1)[N+](=O)[O-] ZINC000843233728 751728305 /nfs/dbraw/zinc/72/83/05/751728305.db2.gz NTASZCSWMQSRSD-UHFFFAOYSA-N 1 0 280.284 1.776 20 5 CDBDRO CC[NH2+]CC1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000130023472 751767487 /nfs/dbraw/zinc/76/74/87/751767487.db2.gz RZXGPSBKBSUURU-UHFFFAOYSA-N 1 0 281.360 1.463 20 5 CDBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCC(=O)NC ZINC000933866103 751819937 /nfs/dbraw/zinc/81/99/37/751819937.db2.gz LMOCTWYFEYKUJK-UHFFFAOYSA-N 1 0 295.339 1.432 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831217852 751833527 /nfs/dbraw/zinc/83/35/27/751833527.db2.gz MMCYLIYGSBYZNW-KWQFWETISA-N 1 0 297.742 1.862 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2CC[C@@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC000261982774 751843025 /nfs/dbraw/zinc/84/30/25/751843025.db2.gz MHMKVMWTIKKSDD-AWEZNQCLSA-N 1 0 295.314 1.853 20 5 CDBDRO CN(Cc1cccnc1[N+](=O)[O-])[C@H](C[NH3+])C(F)(F)F ZINC000886841525 752108008 /nfs/dbraw/zinc/10/80/08/752108008.db2.gz NQGZYACKLNMUNU-MRVPVSSYSA-N 1 0 278.234 1.311 20 5 CDBDRO Cc1c(C[NH2+][C@@H](C)C[S@@](C)=O)cccc1[N+](=O)[O-] ZINC000168922500 752164021 /nfs/dbraw/zinc/16/40/21/752164021.db2.gz ZCNMUXYJMJQLKK-YYSFKGJASA-N 1 0 270.354 1.760 20 5 CDBDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])C1(C)C ZINC000930879019 752195596 /nfs/dbraw/zinc/19/55/96/752195596.db2.gz GWTOHRAPFLPXSR-ZJUUUORDSA-N 1 0 287.360 1.545 20 5 CDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3F)C[C@H]2C1 ZINC000834657535 749452065 /nfs/dbraw/zinc/45/20/65/749452065.db2.gz YJYSLHFDDJKNRW-AOOOYVTPSA-N 1 0 293.298 1.368 20 5 CDBDRO C[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)CC1(C)COC1 ZINC000863298630 749459501 /nfs/dbraw/zinc/45/95/01/749459501.db2.gz HYGUNZBYHQVDBZ-UHFFFAOYSA-N 1 0 290.323 1.870 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000841232590 749617984 /nfs/dbraw/zinc/61/79/84/749617984.db2.gz DQRLVKPKSRROJK-SSDOTTSWSA-N 1 0 284.703 1.813 20 5 CDBDRO CC1(C)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000790452571 749686423 /nfs/dbraw/zinc/68/64/23/749686423.db2.gz QXIFYILETMBJJI-OLZOCXBDSA-N 1 0 280.324 1.331 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)C2CC2)cc1F ZINC000801539208 749707526 /nfs/dbraw/zinc/70/75/26/749707526.db2.gz DAZIDQMZCMEGIM-GFCCVEGCSA-N 1 0 268.288 1.985 20 5 CDBDRO CC[NH+](CC)[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886026232 749856553 /nfs/dbraw/zinc/85/65/53/749856553.db2.gz QZRNCXAIGKJIFX-CYBMUJFWSA-N 1 0 278.356 1.906 20 5 CDBDRO CC[NH2+]CCCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817943185 749882029 /nfs/dbraw/zinc/88/20/29/749882029.db2.gz KRJAWIVSZZFPQN-JTQLQIEISA-N 1 0 266.345 1.827 20 5 CDBDRO CSC[C@@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000229362344 750008229 /nfs/dbraw/zinc/00/82/29/750008229.db2.gz SOAMLIJDAKVUBW-BXKDBHETSA-N 1 0 270.354 1.969 20 5 CDBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCCN1CCC1 ZINC000804568249 750070688 /nfs/dbraw/zinc/07/06/88/750070688.db2.gz XWIBYBXXULOCDC-UHFFFAOYSA-N 1 0 266.257 1.621 20 5 CDBDRO COc1cc(C[NH2+]C[C@H]2C[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000873177579 750165368 /nfs/dbraw/zinc/16/53/68/750165368.db2.gz VURMQJGIIIZAHO-HOMQSWHASA-N 1 0 296.323 1.473 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCn2cccc2)cc1 ZINC000819118259 750205250 /nfs/dbraw/zinc/20/52/50/750205250.db2.gz FDSZQCMDCFCYDP-CQSZACIVSA-N 1 0 275.308 1.720 20 5 CDBDRO C[NH+](C)Cc1cccc(C(=O)OCCC[N+](=O)[O-])c1 ZINC000860918286 750209113 /nfs/dbraw/zinc/20/91/13/750209113.db2.gz FQGAJKYNUQQAQB-UHFFFAOYSA-N 1 0 266.297 1.572 20 5 CDBDRO C[S@](=O)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000830008452 750317128 /nfs/dbraw/zinc/31/71/28/750317128.db2.gz BTLVPTSQWBYVJP-SFHVURJKSA-N 1 0 270.354 1.798 20 5 CDBDRO CCOc1ccc(C(=O)NC[C@@H](C)[NH2+]C)cc1[N+](=O)[O-] ZINC000261713938 750371447 /nfs/dbraw/zinc/37/14/47/750371447.db2.gz KFJQOYCIFPBEAW-SECBINFHSA-N 1 0 281.312 1.331 20 5 CDBDRO Cc1c(C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000834821407 750476007 /nfs/dbraw/zinc/47/60/07/750476007.db2.gz PNGLRMIXPLRYCA-SFYZADRCSA-N 1 0 296.283 1.277 20 5 CDBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccn(C)n1 ZINC000839195665 750486880 /nfs/dbraw/zinc/48/68/80/750486880.db2.gz DMXJNWDTFOBUDY-YGRLFVJLSA-N 1 0 290.323 1.713 20 5 CDBDRO C[NH+]1CCC(ONC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000846647291 750589382 /nfs/dbraw/zinc/58/93/82/750589382.db2.gz LNBZLWAAIZFPCQ-UHFFFAOYSA-N 1 0 295.295 1.056 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C/C=C/CO ZINC000717559559 750792298 /nfs/dbraw/zinc/79/22/98/750792298.db2.gz APZXCPQWHAFTSP-OWOJBTEDSA-N 1 0 256.689 1.886 20 5 CDBDRO CON(C)C(=O)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000795218758 750812318 /nfs/dbraw/zinc/81/23/18/750812318.db2.gz CGZZSCFMQDKRFG-UHFFFAOYSA-N 1 0 295.339 1.829 20 5 CDBDRO COCC[NH+](CCOC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351021 750869524 /nfs/dbraw/zinc/86/95/24/750869524.db2.gz HKOSHDOETQFAND-AWEZNQCLSA-N 1 0 298.339 1.223 20 5 CDBDRO CC[S@@](=O)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848532134 750891753 /nfs/dbraw/zinc/89/17/53/750891753.db2.gz ZVLBZXCZAWVZFQ-HXPMCKFVSA-N 1 0 282.365 1.940 20 5 CDBDRO COCC[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000798967442 751025421 /nfs/dbraw/zinc/02/54/21/751025421.db2.gz YWPXRVOCFAYVNX-JTQLQIEISA-N 1 0 288.731 1.735 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000049085912 751068781 /nfs/dbraw/zinc/06/87/81/751068781.db2.gz WPBVCVYPXCFWCT-LLVKDONJSA-N 1 0 265.313 1.397 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866370808 751166966 /nfs/dbraw/zinc/16/69/66/751166966.db2.gz FCSZWQIFEFFJLE-ZJUUUORDSA-N 1 0 297.330 1.779 20 5 CDBDRO O=[N+]([O-])c1c(NC[C@H]2CC[NH2+]C2)nc2sccn21 ZINC000133798266 751233439 /nfs/dbraw/zinc/23/34/39/751233439.db2.gz QPYUZUYRQVXTSM-ZETCQYMHSA-N 1 0 267.314 1.325 20 5 CDBDRO [NH3+]C1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000702065554 751251576 /nfs/dbraw/zinc/25/15/76/751251576.db2.gz KQYFSKCEAYJPER-UHFFFAOYSA-N 1 0 283.715 1.812 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)N(C)C ZINC000788668674 752325234 /nfs/dbraw/zinc/32/52/34/752325234.db2.gz XRECLGFGBXEDTH-DTWKUNHWSA-N 1 0 280.328 1.304 20 5 CDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001042711119 752377384 /nfs/dbraw/zinc/37/73/84/752377384.db2.gz QYOPKVZCLZTNIR-CHWSQXEVSA-N 1 0 295.383 1.230 20 5 CDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063753 752550383 /nfs/dbraw/zinc/55/03/83/752550383.db2.gz LGRRIQLCPDJOFX-XJFOESAGSA-N 1 0 289.335 1.089 20 5 CDBDRO C[N@H+](CCCF)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000887141056 752570488 /nfs/dbraw/zinc/57/04/88/752570488.db2.gz DJEWBIVLIGTRRE-GFCCVEGCSA-N 1 0 256.277 1.920 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCCC[C@@H]2O)c1 ZINC000843084359 752620599 /nfs/dbraw/zinc/62/05/99/752620599.db2.gz WWCVVMPMSUICCU-VHDGCEQUSA-N 1 0 294.351 1.769 20 5 CDBDRO CC[C@]1(O)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778397726 752708147 /nfs/dbraw/zinc/70/81/47/752708147.db2.gz DDOGDADOQBFEHF-KBPBESRZSA-N 1 0 280.324 1.475 20 5 CDBDRO CCN(CC[NH3+])c1ccc2ncccc2c1[N+](=O)[O-] ZINC000122825401 752724982 /nfs/dbraw/zinc/72/49/82/752724982.db2.gz RRKXMJLAHUUBFY-UHFFFAOYSA-N 1 0 260.297 1.928 20 5 CDBDRO CC(C)NC(=O)CN(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275967 752813685 /nfs/dbraw/zinc/81/36/85/752813685.db2.gz MBUMGDFEBCHIOC-CYBMUJFWSA-N 1 0 295.339 1.085 20 5 CDBDRO Cc1noc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1[N+](=O)[O-] ZINC000886815262 752822079 /nfs/dbraw/zinc/82/20/79/752822079.db2.gz AMRNDKZGWXKQLD-GHMZBOCLSA-N 1 0 281.312 1.892 20 5 CDBDRO CC[NH2+]CC(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000818608427 752827576 /nfs/dbraw/zinc/82/75/76/752827576.db2.gz DAXUVPOJWRAMBC-UHFFFAOYSA-N 1 0 263.297 1.402 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+]C1(CO)CCOCC1 ZINC000225250374 752832631 /nfs/dbraw/zinc/83/26/31/752832631.db2.gz ASUGOJVPVWFIEG-UHFFFAOYSA-N 1 0 284.287 1.365 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cccnc3[N+](=O)[O-])C[C@H]21 ZINC000886832937 752835727 /nfs/dbraw/zinc/83/57/27/752835727.db2.gz PVDZPDHAIMNHGY-RAIGVLPGSA-N 1 0 276.340 1.549 20 5 CDBDRO C[NH+](C)CCCS(=O)(=O)Oc1ccccc1[N+](=O)[O-] ZINC000866375978 752851409 /nfs/dbraw/zinc/85/14/09/752851409.db2.gz HQSBULIVFIDYAO-UHFFFAOYSA-N 1 0 288.325 1.255 20 5 CDBDRO CC(C)([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000129610755 752865517 /nfs/dbraw/zinc/86/55/17/752865517.db2.gz BSLZEQUNORUAAF-UHFFFAOYSA-N 1 0 271.704 1.715 20 5 CDBDRO CN(C)C(=[NH2+])NCCOc1ccc([N+](=O)[O-])cc1 ZINC000849007470 752985581 /nfs/dbraw/zinc/98/55/81/752985581.db2.gz QKPZTDAZFAHHCE-UHFFFAOYSA-N 1 0 252.274 1.060 20 5 CDBDRO CO[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246315099 753033547 /nfs/dbraw/zinc/03/35/47/753033547.db2.gz RBJQKTOAGXSDFC-UONOGXRCSA-N 1 0 280.324 1.739 20 5 CDBDRO O=[N+]([O-])CCN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000791052827 753065056 /nfs/dbraw/zinc/06/50/56/753065056.db2.gz FRRPRJYLVFETNM-LBPRGKRZSA-N 1 0 293.371 1.461 20 5 CDBDRO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000815181150 753074722 /nfs/dbraw/zinc/07/47/22/753074722.db2.gz MFINTGNBQDLMCK-GWCFXTLKSA-N 1 0 268.313 1.331 20 5 CDBDRO Cc1ccc(C[NH2+][C@](C)(C(N)=O)C(C)C)cc1[N+](=O)[O-] ZINC000312231658 753082920 /nfs/dbraw/zinc/08/29/20/753082920.db2.gz HRWDUECXVCDYOM-AWEZNQCLSA-N 1 0 279.340 1.893 20 5 CDBDRO CC[C@@H](CCO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134402098 753089781 /nfs/dbraw/zinc/08/97/81/753089781.db2.gz RRGBEVQQDBHBLM-WCQYABFASA-N 1 0 268.313 1.379 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1[N+](=O)[O-] ZINC000923308098 753095563 /nfs/dbraw/zinc/09/55/63/753095563.db2.gz BARNNTSMDQTKOO-NWDGAFQWSA-N 1 0 289.335 1.904 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2C[NH2+]CCCO2)c1 ZINC000841086358 753204604 /nfs/dbraw/zinc/20/46/04/753204604.db2.gz NGRXQTPOIZNJNG-GFCCVEGCSA-N 1 0 299.758 1.716 20 5 CDBDRO Cc1c(C[NH2+][C@H](C)C[S@](C)=O)cccc1[N+](=O)[O-] ZINC000168922397 753383211 /nfs/dbraw/zinc/38/32/11/753383211.db2.gz ZCNMUXYJMJQLKK-DYBLOJMWSA-N 1 0 270.354 1.760 20 5 CDBDRO Cc1cc(Cc2noc([C@H](C)C[NH3+])n2)ccc1[N+](=O)[O-] ZINC000822863781 753446706 /nfs/dbraw/zinc/44/67/06/753446706.db2.gz UMDLJEKWFASLRG-SECBINFHSA-N 1 0 276.296 1.939 20 5 CDBDRO CC1(C)C[NH2+]CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923291154 753449231 /nfs/dbraw/zinc/44/92/31/753449231.db2.gz ARFXYOLZSIFSSC-CYBMUJFWSA-N 1 0 279.340 1.312 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](CO)CC2CCC2)c1 ZINC000843114630 753461911 /nfs/dbraw/zinc/46/19/11/753461911.db2.gz BAUXZNQOIPGCBS-ZFWWWQNUSA-N 1 0 294.351 1.769 20 5 CDBDRO CC(C)(CCc1noc(-c2ccnc(C[NH3+])c2)n1)[N+](=O)[O-] ZINC000823235636 753509514 /nfs/dbraw/zinc/50/95/14/753509514.db2.gz SHTYEVSCNZOCKF-UHFFFAOYSA-N 1 0 291.311 1.578 20 5 CDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000854649812 753590889 /nfs/dbraw/zinc/59/08/89/753590889.db2.gz HBQGJXKOODVWSI-WDEREUQCSA-N 1 0 271.361 1.373 20 5 CDBDRO C[C@H]([NH2+]CCC1CC(O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815621221 753613654 /nfs/dbraw/zinc/61/36/54/753613654.db2.gz PCLHDSXJIBSAIM-BMQDGWLCSA-N 1 0 279.340 1.989 20 5 CDBDRO C[C@H]([NH2+][C@@H](CO)CCF)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846210614 753706916 /nfs/dbraw/zinc/70/69/16/753706916.db2.gz ZQUAVZNPHQEGRN-WCBMZHEXSA-N 1 0 271.292 1.548 20 5 CDBDRO CO[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000886232110 753816080 /nfs/dbraw/zinc/81/60/80/753816080.db2.gz PVVJQJSEAUTHNM-ZYHUDNBSSA-N 1 0 265.313 1.847 20 5 CDBDRO CC[NH+](CC)CCOC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000796258901 753833797 /nfs/dbraw/zinc/83/37/97/753833797.db2.gz FJCUFOICQZETDN-UHFFFAOYSA-N 1 0 298.343 1.940 20 5 CDBDRO Cc1c(C[NH2+][C@]2(CCO)CCOC2)cccc1[N+](=O)[O-] ZINC000873115236 1165511443 /nfs/dbraw/zinc/51/14/43/1165511443.db2.gz KCNWEEHSGISITJ-CQSZACIVSA-N 1 0 280.324 1.534 20 5 CDBDRO Cc1nc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC001155634176 1167270568 /nfs/dbraw/zinc/27/05/68/1167270568.db2.gz ADANQKTZJQYMPZ-MFKMUULPSA-N 1 0 293.327 1.016 20 5 CDBDRO C[C@@H](OC(=O)[C@@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001574105113 1167630631 /nfs/dbraw/zinc/63/06/31/1167630631.db2.gz MZHSPMSEUCRLAB-NXEZZACHSA-N 1 0 264.281 1.809 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cc(C[NH3+])cnc1=N ZINC001173226547 912319669 /nfs/dbraw/zinc/31/96/69/912319669.db2.gz XQFIZHVZHZNZAE-JTQLQIEISA-N 1 0 287.323 1.533 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](CO)C1 ZINC001173226823 912322417 /nfs/dbraw/zinc/32/24/17/912322417.db2.gz LUUYRFIUOPRREA-DGCLKSJQSA-N 1 0 264.325 1.840 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN(C)C ZINC001173213598 912336969 /nfs/dbraw/zinc/33/69/69/912336969.db2.gz GKUZNHFHCSJMLH-NSHDSACASA-N 1 0 251.330 1.677 20 5 CDBDRO O=C(NCC1C[NH2+]C1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001122010798 913327865 /nfs/dbraw/zinc/32/78/65/913327865.db2.gz ZKJJTTITOYRHOX-STQMWFEESA-N 1 0 275.308 1.034 20 5 CDBDRO CCN(CC[NH3+])C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001122087601 913434181 /nfs/dbraw/zinc/43/41/81/913434181.db2.gz OGWSJZKNQSGXET-QWHCGFSZSA-N 1 0 277.324 1.506 20 5 CDBDRO COC(C)(C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000160257501 894235372 /nfs/dbraw/zinc/23/53/72/894235372.db2.gz OKRLCPSHSQUKRF-GFCCVEGCSA-N 1 0 268.313 1.643 20 5 CDBDRO [NH3+][C@H]1C[C@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000692990726 894577774 /nfs/dbraw/zinc/57/77/74/894577774.db2.gz ZWCSLRVNFLODCH-KYZUINATSA-N 1 0 260.253 1.850 20 5 CDBDRO C/C=C(/C)C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001125437571 895487024 /nfs/dbraw/zinc/48/70/24/895487024.db2.gz JDGSLNHACZEDAK-JYOAFUTRSA-N 1 0 277.324 1.767 20 5 CDBDRO [NH3+]Cc1cccn1-c1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001167582109 896900686 /nfs/dbraw/zinc/90/06/86/896900686.db2.gz UAFNGSOYERIGGG-UHFFFAOYSA-N 1 0 268.660 1.131 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C)OCC[NH+](C)C ZINC001206278414 914203997 /nfs/dbraw/zinc/20/39/97/914203997.db2.gz OIDHZIRKHOULKI-VIFPVBQESA-N 1 0 256.306 1.066 20 5 CDBDRO [NH3+]CCc1ccn(-c2c(Cl)cncc2[N+](=O)[O-])n1 ZINC001167730944 899490778 /nfs/dbraw/zinc/49/07/78/899490778.db2.gz VUMORHSCCMLFJI-UHFFFAOYSA-N 1 0 267.676 1.330 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168227139 907942733 /nfs/dbraw/zinc/94/27/33/907942733.db2.gz WEJXGASTIYUPGM-PWSUYJOCSA-N 1 0 297.286 1.493 20 5 CDBDRO CCOC(=O)c1cccc(CO[C@H](C)C[N+](C)(C)C)n1 ZINC001223715983 908265033 /nfs/dbraw/zinc/26/50/33/908265033.db2.gz YVOLTDBFUUYXMX-GFCCVEGCSA-N 1 0 281.376 1.870 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)O[C@H]1Cc2ccccc21 ZINC001224064007 909000466 /nfs/dbraw/zinc/00/04/66/909000466.db2.gz YQHSEGFKNFKNIE-OCCSQVGLSA-N 1 0 264.345 1.284 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2(O)CCCCC2)c1 ZINC001120484535 911981889 /nfs/dbraw/zinc/98/18/89/911981889.db2.gz IGYOZONVGZNAJW-CQSZACIVSA-N 1 0 294.351 1.913 20 5 CDBDRO C[N@H+](C[C@@H](O)CO)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904909 912036831 /nfs/dbraw/zinc/03/68/31/912036831.db2.gz PMESAVXSWIMOMB-UKRRQHHQSA-N 1 0 294.351 1.127 20 5 CDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000131047301 917564080 /nfs/dbraw/zinc/56/40/80/917564080.db2.gz TYHZDQSMGOPHMX-UHFFFAOYSA-N 1 0 297.742 1.864 20 5 CDBDRO CCNC(=O)C(C)(C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839128455 936906099 /nfs/dbraw/zinc/90/60/99/936906099.db2.gz DRGOJYOIRRDGQU-LBPRGKRZSA-N 1 0 295.339 1.133 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@H]3[NH2+]C[C@@H]32)n1 ZINC001165393464 925024159 /nfs/dbraw/zinc/02/41/59/925024159.db2.gz TUKALGJWJKAQRC-SFYZADRCSA-N 1 0 283.719 1.287 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1-n1cc2c(n1)CC[C@@H]([NH3+])C2 ZINC001168816387 927448463 /nfs/dbraw/zinc/44/84/63/927448463.db2.gz PJQFIFIKCWDVNT-LLVKDONJSA-N 1 0 272.308 1.905 20 5 CDBDRO [NH3+][C@@H]1CCN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001156228168 927487587 /nfs/dbraw/zinc/48/75/87/927487587.db2.gz BPYKOJZGOFGZEQ-ZCFIWIBFSA-N 1 0 292.673 1.726 20 5 CDBDRO COc1cc(CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)ccn1 ZINC001168976274 927562792 /nfs/dbraw/zinc/56/27/92/927562792.db2.gz CFVVVSPNAOVZFF-QWHCGFSZSA-N 1 0 279.340 1.668 20 5 CDBDRO CC(C)c1nc(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)no1 ZINC001168963868 927586856 /nfs/dbraw/zinc/58/68/56/927586856.db2.gz QLABDJKYMJBMSM-GHMZBOCLSA-N 1 0 282.344 1.771 20 5 CDBDRO CCN1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168968147 927592305 /nfs/dbraw/zinc/59/23/05/927592305.db2.gz WQDHTECYIXUZBT-WCQYABFASA-N 1 0 255.362 1.506 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccnc2F)C1 ZINC001168970289 927593454 /nfs/dbraw/zinc/59/34/54/927593454.db2.gz GXTYNZTUZQFZID-MWLCHTKSSA-N 1 0 253.277 1.756 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CCN(CC3CC3)C2)C1 ZINC001168996577 927602794 /nfs/dbraw/zinc/60/27/94/927602794.db2.gz WHYYEUHEHSRWQM-IHRRRGAJSA-N 1 0 267.373 1.506 20 5 CDBDRO O=C1Cc2cc(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)ccc2N1 ZINC001169003559 927606569 /nfs/dbraw/zinc/60/65/69/927606569.db2.gz OCEXPAQVGVNYNQ-DGCLKSJQSA-N 1 0 289.335 1.716 20 5 CDBDRO CCN1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169006009 927609419 /nfs/dbraw/zinc/60/94/19/927609419.db2.gz FDZWYQYUCKQURB-CHWSQXEVSA-N 1 0 255.362 1.459 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC3(CCOC3)CC2)C1 ZINC001169007642 927610865 /nfs/dbraw/zinc/61/08/65/927610865.db2.gz OVVANBGUHWZGPQ-STQMWFEESA-N 1 0 268.357 1.934 20 5 CDBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169009046 927614547 /nfs/dbraw/zinc/61/45/47/927614547.db2.gz UOJYTEPTLIDUSM-NDBYEHHHSA-N 1 0 284.356 1.753 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC001169013063 927619654 /nfs/dbraw/zinc/61/96/54/927619654.db2.gz TWYYJIAROFHHRT-BBBLOLIVSA-N 1 0 282.262 1.431 20 5 CDBDRO C[C@](CO)([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168987485 927625331 /nfs/dbraw/zinc/62/53/31/927625331.db2.gz IZOOKPMZTJJZHH-NWANDNLSSA-N 1 0 278.352 1.929 20 5 CDBDRO CC(C)O[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169037034 927646363 /nfs/dbraw/zinc/64/63/63/927646363.db2.gz HYMCIFAOVXRROA-FRRDWIJNSA-N 1 0 256.346 1.931 20 5 CDBDRO COCCCN1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169038468 927650636 /nfs/dbraw/zinc/65/06/36/927650636.db2.gz YXXORFKHLHJEOI-ZIAGYGMSSA-N 1 0 285.388 1.086 20 5 CDBDRO C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000851876770 927651470 /nfs/dbraw/zinc/65/14/70/927651470.db2.gz MQYDPYXAEVNMPS-SNVBAGLBSA-N 1 0 267.304 1.870 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CC(c3cccnc3)C2)C1 ZINC001169040139 927653780 /nfs/dbraw/zinc/65/37/80/927653780.db2.gz YFPADRQLOGUODS-FZMZJTMJSA-N 1 0 261.325 1.926 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC001169022468 927663328 /nfs/dbraw/zinc/66/33/28/927663328.db2.gz BYBCTUAZRMQWAD-MCIONIFRSA-N 1 0 267.373 1.602 20 5 CDBDRO CC[N@H+](CCC(=O)OC)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169047040 927666196 /nfs/dbraw/zinc/66/61/96/927666196.db2.gz QEPUSMLXMARTKI-WDEREUQCSA-N 1 0 258.318 1.317 20 5 CDBDRO CC(=O)N1CC[C@H]([N@H+](C(C)C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169047024 927666301 /nfs/dbraw/zinc/66/63/01/927666301.db2.gz PTUBYXZWCLNROI-ZNMIVQPWSA-N 1 0 297.399 1.763 20 5 CDBDRO C[C@@H]1CN(C2C[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C[C@H](C)O1 ZINC001169053116 927671937 /nfs/dbraw/zinc/67/19/37/927671937.db2.gz HMLNHJAGTCXHOJ-RFQIPJPRSA-N 1 0 297.399 1.225 20 5 CDBDRO C[C@@H]1CN(C2C[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C[C@H](C)O1 ZINC001169053118 927672471 /nfs/dbraw/zinc/67/24/71/927672471.db2.gz HMLNHJAGTCXHOJ-XJFOESAGSA-N 1 0 297.399 1.225 20 5 CDBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000853123940 927956333 /nfs/dbraw/zinc/95/63/33/927956333.db2.gz AINUFYNVVIDUMV-GXFFZTMASA-N 1 0 290.323 1.713 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1NC[C@H](O)C(F)(F)F)C[NH2+]C2 ZINC001169456704 928032378 /nfs/dbraw/zinc/03/23/78/928032378.db2.gz SQAADUAZTNJVBX-JTQLQIEISA-N 1 0 291.229 1.533 20 5 CDBDRO COc1cc(NCC23CC[NH+](CC2)CC3)cnc1[N+](=O)[O-] ZINC001169803303 928425861 /nfs/dbraw/zinc/42/58/61/928425861.db2.gz WDURKBLNVBMBDR-UHFFFAOYSA-N 1 0 292.339 1.896 20 5 CDBDRO COc1ccc(N(C)C(C)(C)C[NH3+])nc1[N+](=O)[O-] ZINC001170053198 929189747 /nfs/dbraw/zinc/18/97/47/929189747.db2.gz QXAIWSMJXPCLKS-UHFFFAOYSA-N 1 0 254.290 1.172 20 5 CDBDRO CCCCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001112835695 929479416 /nfs/dbraw/zinc/47/94/16/929479416.db2.gz KJYAPBXGVPCFLB-CHWSQXEVSA-N 1 0 283.372 1.376 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1nccc2c1ccc(C)c2[N+](=O)[O-] ZINC001170857186 930460016 /nfs/dbraw/zinc/46/00/16/930460016.db2.gz DQORNOJADDGMOU-AWEZNQCLSA-N 1 0 290.323 1.921 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC001170865579 930531789 /nfs/dbraw/zinc/53/17/89/930531789.db2.gz PCLJMYQLTCKRGJ-CYBMUJFWSA-N 1 0 276.296 1.612 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000886081080 930799058 /nfs/dbraw/zinc/79/90/58/930799058.db2.gz IPJOHDQHWONLGC-YPMHNXCESA-N 1 0 277.324 1.848 20 5 CDBDRO CCC(O)(CC)C[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886302283 930853284 /nfs/dbraw/zinc/85/32/84/930853284.db2.gz JGMICNRBAAKNAP-UHFFFAOYSA-N 1 0 267.329 1.973 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822829209 931212165 /nfs/dbraw/zinc/21/21/65/931212165.db2.gz LQRVGUOYUDSVAM-GFCCVEGCSA-N 1 0 285.388 1.668 20 5 CDBDRO N[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@H]1F ZINC001246592811 932016556 /nfs/dbraw/zinc/01/65/56/932016556.db2.gz WAUKDOUWNQQOGO-IRCOFANPSA-N 1 0 259.325 1.193 20 5 CDBDRO CCCCNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001154827536 937592616 /nfs/dbraw/zinc/59/26/16/937592616.db2.gz KNDCNJKUTONNPA-UHFFFAOYSA-N 1 0 280.332 1.006 20 5 CDBDRO COc1cnc(N[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001154986332 937616998 /nfs/dbraw/zinc/61/69/98/937616998.db2.gz RJZOQIFIPCTUED-BDAKNGLRSA-N 1 0 266.301 1.680 20 5 CDBDRO C[NH+](C)[C@H]1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])n[nH]2)C1 ZINC001155044102 937626520 /nfs/dbraw/zinc/62/65/20/937626520.db2.gz WIIVMWDHMQCUMM-IUCAKERBSA-N 1 0 281.316 1.377 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000930518524 933392784 /nfs/dbraw/zinc/39/27/84/933392784.db2.gz ACFVSQVLNOYIAO-CQSZACIVSA-N 1 0 276.336 1.947 20 5 CDBDRO CSCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001120559884 937810447 /nfs/dbraw/zinc/81/04/47/937810447.db2.gz YOQJPBLZPIPMEB-NSHDSACASA-N 1 0 256.327 1.581 20 5 CDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cn1cc([N+](=O)[O-])cn1 ZINC000795706017 934917407 /nfs/dbraw/zinc/91/74/07/934917407.db2.gz KFWBFBBBHNZZRR-NWDGAFQWSA-N 1 0 279.344 1.307 20 5 CDBDRO Nc1cc(NC2CC[NH+](CC3CC3)CC2)ncc1[N+](=O)[O-] ZINC001120886700 937844953 /nfs/dbraw/zinc/84/49/53/937844953.db2.gz MWTGZWWVBBTODZ-UHFFFAOYSA-N 1 0 291.355 1.858 20 5 CDBDRO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001122321068 937920890 /nfs/dbraw/zinc/92/08/90/937920890.db2.gz SBMDBYGBUUYPAD-DOMZBBRYSA-N 1 0 289.335 1.477 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001156043213 938313502 /nfs/dbraw/zinc/31/35/02/938313502.db2.gz XUBVVDDQQAIERK-UHFFFAOYSA-N 1 0 272.268 1.424 20 5 CDBDRO COc1cc(NC2(C)CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001157401789 938487101 /nfs/dbraw/zinc/48/71/01/938487101.db2.gz SHNPGUAPXUGSSV-UHFFFAOYSA-N 1 0 266.301 1.552 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001157446135 938492696 /nfs/dbraw/zinc/49/26/96/938492696.db2.gz UUXLUKYCNYAWKQ-SFYZADRCSA-N 1 0 258.228 1.241 20 5 CDBDRO Cc1nc(-n2ccc3c2CC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001157454286 938494674 /nfs/dbraw/zinc/49/46/74/938494674.db2.gz TWCKXXNCQGEHJO-UHFFFAOYSA-N 1 0 259.269 1.130 20 5 CDBDRO CCC[NH+]1C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3N)C[C@H]2C1 ZINC001157692335 938532972 /nfs/dbraw/zinc/53/29/72/938532972.db2.gz QANAFFFVGMBAOC-GHMZBOCLSA-N 1 0 291.355 1.350 20 5 CDBDRO [NH3+]C[C@]1(F)CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC001157812774 938549823 /nfs/dbraw/zinc/54/98/23/938549823.db2.gz HRRIPEQPZRWVTO-SNVBAGLBSA-N 1 0 258.228 1.006 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1nc2ccccc2cc1[N+](=O)[O-] ZINC001158131029 938586382 /nfs/dbraw/zinc/58/63/82/938586382.db2.gz MNJGHISSJCVHJC-UHFFFAOYSA-N 1 0 298.306 1.533 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(-n2ncc3c2cccc3C[NH3+])n1 ZINC001158308074 938607607 /nfs/dbraw/zinc/60/76/07/938607607.db2.gz RBTRTBYSYBMDHH-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO [NH3+]Cc1cnnn1-c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001158423238 938621651 /nfs/dbraw/zinc/62/16/51/938621651.db2.gz OXOSUQNJDJOOLZ-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO C[C@]1(C[NH3+])CCCN(c2nc(Cl)ncc2[N+](=O)[O-])C1 ZINC001158673549 938648833 /nfs/dbraw/zinc/64/88/33/938648833.db2.gz JQDBTKKZZMWNOU-LLVKDONJSA-N 1 0 285.735 1.603 20 5 CDBDRO C[NH+](C)CCC(C)(C)Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001158761201 938660531 /nfs/dbraw/zinc/66/05/31/938660531.db2.gz YJKAFFRCLFKYPR-UHFFFAOYSA-N 1 0 267.333 1.714 20 5 CDBDRO COc1nc(NCC23CC[NH+](CC2)CC3)ccc1[N+](=O)[O-] ZINC001158824644 938666826 /nfs/dbraw/zinc/66/68/26/938666826.db2.gz UMERAQNEGNLZSC-UHFFFAOYSA-N 1 0 292.339 1.896 20 5 CDBDRO COc1cc(NCC[C@H]2CCC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC001160964382 938851424 /nfs/dbraw/zinc/85/14/24/938851424.db2.gz NKWOVINYHMHTEY-SNVBAGLBSA-N 1 0 280.328 1.895 20 5 CDBDRO C[C@@]1([NH3+])C[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC001162325371 939024244 /nfs/dbraw/zinc/02/42/44/939024244.db2.gz XBHBLUVYOYEBLB-WKFQBHICSA-N 1 0 256.693 1.935 20 5 CDBDRO Nc1ccnc(N[C@@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001162395061 939043814 /nfs/dbraw/zinc/04/38/14/939043814.db2.gz BRPNOIZFVGGREL-HTQZYQBOSA-N 1 0 251.290 1.254 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC001162481064 939065216 /nfs/dbraw/zinc/06/52/16/939065216.db2.gz FUPDFSVKDUOUHK-UWVGGRQHSA-N 1 0 297.286 1.493 20 5 CDBDRO Cc1c(N[C@@H]2CC[NH2+][C@@H]2C)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001162677420 939112927 /nfs/dbraw/zinc/11/29/27/939112927.db2.gz HHAQNXYEHOTAJY-PSASIEDQSA-N 1 0 280.284 1.974 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ncc1N[C@@H]1COCCC12C[NH2+]C2 ZINC001163068236 939189779 /nfs/dbraw/zinc/18/97/79/939189779.db2.gz HFJHNAWCYOUSST-SNVBAGLBSA-N 1 0 298.730 1.434 20 5 CDBDRO O=[N+]([O-])c1ccnc(Cl)c1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163140174 939211453 /nfs/dbraw/zinc/21/14/53/939211453.db2.gz BSFGTTFBASECBT-BWZBUEFSSA-N 1 0 284.703 1.042 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1N[C@H](C[NH3+])c1ccccc1 ZINC001163297840 939241567 /nfs/dbraw/zinc/24/15/67/939241567.db2.gz MUMGFEMGTGNTEA-GFCCVEGCSA-N 1 0 273.296 1.684 20 5 CDBDRO [NH3+]C1(CNc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])CCC1 ZINC001163326701 939248174 /nfs/dbraw/zinc/24/81/74/939248174.db2.gz HMXPBRFPMOTYIE-UHFFFAOYSA-N 1 0 272.692 1.175 20 5 CDBDRO COc1nc(C)nc(N[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001163386671 939260287 /nfs/dbraw/zinc/26/02/87/939260287.db2.gz VHJJJSMMMCYKBK-JTQLQIEISA-N 1 0 293.327 1.208 20 5 CDBDRO CN(CC[NH3+])c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001163686845 939308240 /nfs/dbraw/zinc/30/82/40/939308240.db2.gz IZCPFOGBUCEHIK-UHFFFAOYSA-N 1 0 266.088 1.087 20 5 CDBDRO C[NH2+]CCN(C)C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001163719192 939314450 /nfs/dbraw/zinc/31/44/50/939314450.db2.gz QOLKVBAEGSNECY-UHFFFAOYSA-N 1 0 294.689 1.844 20 5 CDBDRO Cc1c(C)c(N2CC([NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC001163940700 939359026 /nfs/dbraw/zinc/35/90/26/939359026.db2.gz SGLGIJALZWTEDJ-UHFFFAOYSA-N 1 0 250.302 1.357 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H](C)CC[C@H]2C[NH3+])n1 ZINC001164066882 939404085 /nfs/dbraw/zinc/40/40/85/939404085.db2.gz ARVAXHZXAOXUKT-WPRPVWTQSA-N 1 0 295.343 1.265 20 5 CDBDRO Cc1ccnc(N2C[C@@H](C)CC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC001164070959 939405166 /nfs/dbraw/zinc/40/51/66/939405166.db2.gz QVYCQKGVXXIWHP-ONGXEEELSA-N 1 0 264.329 1.862 20 5 CDBDRO [NH3+][C@H]1CCN(c2nc(C3CC3)nc(Cl)c2[N+](=O)[O-])C1 ZINC001164275193 939444157 /nfs/dbraw/zinc/44/41/57/939444157.db2.gz FCIMOZQJECFCBT-ZETCQYMHSA-N 1 0 283.719 1.453 20 5 CDBDRO Cc1c(C)c(N2CCC[C@@H]3[NH2+]C[C@H]32)ncc1[N+](=O)[O-] ZINC001165395507 939558594 /nfs/dbraw/zinc/55/85/94/939558594.db2.gz WNFNWRXYMWCUMA-CMPLNLGQSA-N 1 0 262.313 1.547 20 5 CDBDRO CC(C)N(CC1CC1)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001166620266 939620158 /nfs/dbraw/zinc/62/01/58/939620158.db2.gz YNUFHSUNSPFDKY-UHFFFAOYSA-N 1 0 291.355 1.696 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]([NH3+])C(F)(F)C2)n1 ZINC001166958804 939659884 /nfs/dbraw/zinc/65/98/84/939659884.db2.gz JUAYUYMGDTZEMG-VIFPVBQESA-N 1 0 286.282 1.779 20 5 CDBDRO CN1CC[C@H](Nc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000302520863 940802961 /nfs/dbraw/zinc/80/29/61/940802961.db2.gz DQSSFAJNLZJWMK-ZETCQYMHSA-N 1 0 256.693 1.759 20 5 CDBDRO COC(=O)c1cc(CO[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC001217824119 941021087 /nfs/dbraw/zinc/02/10/87/941021087.db2.gz LZQMCFNFCFISNP-LBPRGKRZSA-N 1 0 280.280 1.260 20 5 CDBDRO O=c1oc2ccccc2c(O[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC001218182801 941042727 /nfs/dbraw/zinc/04/27/27/941042727.db2.gz IDCGBTKTBDQATG-QMMMGPOBSA-N 1 0 276.248 1.442 20 5 CDBDRO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@@H]1CCC[NH2+]C1 ZINC001218285144 941051428 /nfs/dbraw/zinc/05/14/28/941051428.db2.gz HBVNVQOFRYGXFB-LLVKDONJSA-N 1 0 279.296 1.684 20 5 CDBDRO C[C@H](OCC[N+](C)(C)C)C(=O)OCc1ccccc1 ZINC001224776788 941790355 /nfs/dbraw/zinc/79/03/55/941790355.db2.gz ZRKATYROJTUHOS-ZDUSSCGKSA-N 1 0 266.361 1.841 20 5 CDBDRO COc1cc(O[C@@H]2CCC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC001226581318 942030428 /nfs/dbraw/zinc/03/04/28/942030428.db2.gz NWGCOGQSOZWNAJ-SECBINFHSA-N 1 0 267.285 1.471 20 5 CDBDRO CC[N@@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227112028 942136256 /nfs/dbraw/zinc/13/62/56/942136256.db2.gz VVMOPOVKTNLWIF-JTQLQIEISA-N 1 0 296.283 1.761 20 5 CDBDRO CC[N@@H+]1CCC[C@H](Oc2cnccc2[N+](=O)[O-])C1 ZINC001228881527 942387412 /nfs/dbraw/zinc/38/74/12/942387412.db2.gz GJTHBGHGJYUOPY-JTQLQIEISA-N 1 0 251.286 1.853 20 5 CDBDRO CC(=O)c1c(C)cccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228990930 942404804 /nfs/dbraw/zinc/40/48/04/942404804.db2.gz ASYAFPCNQOUHON-CYBMUJFWSA-N 1 0 294.371 1.560 20 5 CDBDRO CCOC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)cn1 ZINC001233496045 943602496 /nfs/dbraw/zinc/60/24/96/943602496.db2.gz VXXVLLYTYLHISX-NSHDSACASA-N 1 0 267.349 1.732 20 5 CDBDRO COC(=O)c1c(O[C@@H](C)C[N+](C)(C)C)ccn1C ZINC001233787306 943659345 /nfs/dbraw/zinc/65/93/45/943659345.db2.gz HHOLSZLSWZHICT-JTQLQIEISA-N 1 0 255.338 1.285 20 5 CDBDRO COC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)cc1OC ZINC001234098787 943741792 /nfs/dbraw/zinc/74/17/92/943741792.db2.gz UJELRANUZCAXLH-LLVKDONJSA-N 1 0 282.360 1.955 20 5 CDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC2(C[NH2+]C2)CC1 ZINC001263151547 943765872 /nfs/dbraw/zinc/76/58/72/943765872.db2.gz FFZSJPLLHWWYIR-UHFFFAOYSA-N 1 0 293.298 1.560 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(C(F)(F)F)[nH]n1 ZINC001234858778 943961259 /nfs/dbraw/zinc/96/12/59/943961259.db2.gz KTKRQUCJKOGHCK-ZETCQYMHSA-N 1 0 252.260 1.902 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2c(C)nccc2[N+](=O)[O-])C1 ZINC001234901724 943968438 /nfs/dbraw/zinc/96/84/38/943968438.db2.gz QXOMFXGSCMNCHE-SNVBAGLBSA-N 1 0 251.286 1.771 20 5 CDBDRO CN(C)c1cc(F)cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001234947092 943979201 /nfs/dbraw/zinc/97/92/01/943979201.db2.gz ZAZIMIUNYJHGOM-CYBMUJFWSA-N 1 0 299.366 1.254 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH2+]C)CCC1 ZINC001261842809 946296123 /nfs/dbraw/zinc/29/61/23/946296123.db2.gz LGHVQOMSSOJNRQ-UHFFFAOYSA-N 1 0 292.339 1.508 20 5 CDBDRO CC1(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)COC1 ZINC001254567013 947527264 /nfs/dbraw/zinc/52/72/64/947527264.db2.gz MKFDRDNPCISIHW-GFCCVEGCSA-N 1 0 262.309 1.688 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[N@@H+]2CC[C@@H]2C1 ZINC001254568503 947529928 /nfs/dbraw/zinc/52/99/28/947529928.db2.gz GJLARHLDAYNHSZ-TZMCWYRMSA-N 1 0 275.352 1.916 20 5 CDBDRO Cc1nc(CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)no1 ZINC001254568943 947531586 /nfs/dbraw/zinc/53/15/86/947531586.db2.gz WUQLSZNGMQEXGO-LBPRGKRZSA-N 1 0 288.307 1.586 20 5 CDBDRO CO[C@H]1C[C@@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254574426 947532310 /nfs/dbraw/zinc/53/23/10/947532310.db2.gz HCGCEEXCACLNGX-BZPMIXESSA-N 1 0 262.309 1.829 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](O)c1cccnc1)C2 ZINC001254579373 947538541 /nfs/dbraw/zinc/53/85/41/947538541.db2.gz QRFNMXAPFBGVAN-GOEBONIOSA-N 1 0 299.330 1.780 20 5 CDBDRO CCOC(=O)C[C@@H](C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254584158 947539592 /nfs/dbraw/zinc/53/95/92/947539592.db2.gz QPYYFFQRYYTZHF-ZWNOBZJWSA-N 1 0 292.335 1.993 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC([NH+]3CCCC3)C1)C2 ZINC001254601005 947550463 /nfs/dbraw/zinc/55/04/63/947550463.db2.gz UVNHARRHEARYHY-HNNXBMFYSA-N 1 0 287.363 1.842 20 5 CDBDRO C[C@]1(O)CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601387 947551148 /nfs/dbraw/zinc/55/11/48/947551148.db2.gz ZATHQKFFPKSXCW-GJZGRUSLSA-N 1 0 276.336 1.909 20 5 CDBDRO COC[C@@H]1CC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611066 947556155 /nfs/dbraw/zinc/55/61/55/947556155.db2.gz UDVBXZQPIGTDEA-KBPBESRZSA-N 1 0 262.309 1.783 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@H]1C[NH2+]CC12CC2 ZINC001246135175 947979024 /nfs/dbraw/zinc/97/90/24/947979024.db2.gz SVKOQVCOXMIPFT-FZMZJTMJSA-N 1 0 275.352 1.867 20 5 CDBDRO COc1ccc(C[C@H](C)N2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001246917555 948518802 /nfs/dbraw/zinc/51/88/02/948518802.db2.gz RMJISMUNEUUQSM-WCQYABFASA-N 1 0 293.367 1.958 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@H]2C[NH2+]C[C@H]21 ZINC001246923728 948523281 /nfs/dbraw/zinc/52/32/81/948523281.db2.gz ZAQBMBFHSRAOCE-MPKXVKKWSA-N 1 0 261.325 1.429 20 5 CDBDRO COc1ccc(C[C@H](C)N(C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC001246981287 948559412 /nfs/dbraw/zinc/55/94/12/948559412.db2.gz PIOOCEDDOLDMPP-QWRGUYRKSA-N 1 0 281.356 1.813 20 5 CDBDRO O=[N+]([O-])CC[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC001333486712 958372443 /nfs/dbraw/zinc/37/24/43/958372443.db2.gz NDHOUHACZMRQNU-UHFFFAOYSA-N 1 0 278.352 1.580 20 5 CDBDRO COc1ccc([C@@H](C[NH+]2CCCC2)NCC[N+](=O)[O-])cc1 ZINC001335434217 959799717 /nfs/dbraw/zinc/79/97/17/959799717.db2.gz ZGZNAFVHBZVPGP-OAHLLOKOSA-N 1 0 293.367 1.698 20 5 CDBDRO C[C@H]1CCN(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001338492346 961834982 /nfs/dbraw/zinc/83/49/82/961834982.db2.gz SSVMXFMNRFJLJW-WFASDCNBSA-N 1 0 293.367 1.560 20 5 CDBDRO O=C(N[C@H]1C[NH+]2CCC1CC2)c1cc(F)cc([N+](=O)[O-])c1 ZINC001339139400 962195673 /nfs/dbraw/zinc/19/56/73/962195673.db2.gz CZULSMTZWCTGMS-ZDUSSCGKSA-N 1 0 293.298 1.558 20 5 CDBDRO C[NH2+]C1(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CCC1 ZINC001339995643 962672453 /nfs/dbraw/zinc/67/24/53/962672453.db2.gz KBMTXNAFAPXLNK-UHFFFAOYSA-N 1 0 293.323 1.362 20 5 CDBDRO [NH3+]CC[C@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC001341120604 963284783 /nfs/dbraw/zinc/28/47/83/963284783.db2.gz BUGATPWDJSDPIM-YIALFULDSA-N 1 0 289.335 1.805 20 5 CDBDRO C[C@]([NH3+])(C(=O)NC/C=C/Cl)c1cccc([N+](=O)[O-])c1 ZINC001342295133 963702154 /nfs/dbraw/zinc/70/21/54/963702154.db2.gz ZWEHUDLQMWURIJ-MJRJWQSSSA-N 1 0 283.715 1.637 20 5 CDBDRO O=C(N[C@H]1CC[NH2+]C1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001343999711 964206857 /nfs/dbraw/zinc/20/68/57/964206857.db2.gz JOFXKDCFSMCCLQ-WCFLWFBJSA-N 1 0 275.308 1.176 20 5 CDBDRO CC(C)C[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[NH+](C)C ZINC001348531037 966043718 /nfs/dbraw/zinc/04/37/18/966043718.db2.gz CHYNZIGDFHLVLB-VIFPVBQESA-N 1 0 283.332 1.024 20 5 CDBDRO Cc1ccc(COC(=O)[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC001574154686 1170900000 /nfs/dbraw/zinc/90/00/00/1170900000.db2.gz SOSZQUXPAAVBEV-NSHDSACASA-N 1 0 264.281 1.698 20 5 CDBDRO CC(C)NC(=O)CNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601101298 342463994 /nfs/dbraw/zinc/46/39/94/342463994.db2.gz WZQRIIDQGKLCTC-UHFFFAOYSA-N 1 0 288.307 1.501 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000307899347 342469025 /nfs/dbraw/zinc/46/90/25/342469025.db2.gz QHRSIYHOBFGADP-NSHDSACASA-N 1 0 263.297 1.465 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[NH+]1CCCC1 ZINC000115430804 342485526 /nfs/dbraw/zinc/48/55/26/342485526.db2.gz JECULMLIYKOGKK-UHFFFAOYSA-N 1 0 293.323 1.429 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCCN1c1ccc([N+](=O)[O-])nc1 ZINC000601188494 342488311 /nfs/dbraw/zinc/48/83/11/342488311.db2.gz HPVUCZQVTDZVTL-NSHDSACASA-N 1 0 264.329 1.910 20 5 CDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH+](CCO)CCO ZINC000600179302 341983618 /nfs/dbraw/zinc/98/36/18/341983618.db2.gz MSPUHLCLRKHYLO-GFCCVEGCSA-N 1 0 282.340 1.203 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000590403666 342543948 /nfs/dbraw/zinc/54/39/48/342543948.db2.gz LXVVOAYWSJQPBC-PSASIEDQSA-N 1 0 283.353 1.821 20 5 CDBDRO CNc1ccc(C(=O)NCCCC[NH3+])cc1[N+](=O)[O-] ZINC000564950580 365554973 /nfs/dbraw/zinc/55/49/73/365554973.db2.gz FGNDQAZQNOIFMY-UHFFFAOYSA-N 1 0 266.301 1.105 20 5 CDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCn2cccc([N+](=O)[O-])c2=O)C1 ZINC000565243351 365618496 /nfs/dbraw/zinc/61/84/96/365618496.db2.gz XRALBDZSRBMTAW-TXEJJXNPSA-N 1 0 279.340 1.734 20 5 CDBDRO [NH3+][C@H]1CCCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000310484213 342117188 /nfs/dbraw/zinc/11/71/88/342117188.db2.gz FOCOIRHCGKJIFE-ZETCQYMHSA-N 1 0 256.693 1.571 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000117202936 342621748 /nfs/dbraw/zinc/62/17/48/342621748.db2.gz QNXXGNKEFSLXCK-CABCVRRESA-N 1 0 291.351 1.630 20 5 CDBDRO CC1([NH3+])CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000591270304 342623633 /nfs/dbraw/zinc/62/36/33/342623633.db2.gz ASDPVCPOOHSCHK-UHFFFAOYSA-N 1 0 278.312 1.940 20 5 CDBDRO C[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[C@H]1[NH3+] ZINC000591428588 342629945 /nfs/dbraw/zinc/62/99/45/342629945.db2.gz SWBVRTKLQWYZQL-GXSJLCMTSA-N 1 0 276.340 1.736 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC([C@H]3CC[NH2+]C3)CC2)s1 ZINC000591442853 342632596 /nfs/dbraw/zinc/63/25/96/342632596.db2.gz AZCOPBFQJPNZSG-JTQLQIEISA-N 1 0 282.369 1.877 20 5 CDBDRO COc1ccc(NC(=O)[C@H]2[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000591686536 342643235 /nfs/dbraw/zinc/64/32/35/342643235.db2.gz TYZUTZBCTBCEAC-LLVKDONJSA-N 1 0 279.296 1.540 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000591687953 342643322 /nfs/dbraw/zinc/64/33/22/342643322.db2.gz OSWYNZCUBGZVFV-GFCCVEGCSA-N 1 0 295.339 1.707 20 5 CDBDRO Cn1cncc1CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000401735959 342643679 /nfs/dbraw/zinc/64/36/79/342643679.db2.gz YICMSLIUCDZPKJ-UHFFFAOYSA-N 1 0 260.297 1.661 20 5 CDBDRO C[C@H]1CC2(C[N@@H+]1CCn1cc([N+](=O)[O-])cn1)CCOCC2 ZINC000592184332 342679735 /nfs/dbraw/zinc/67/97/35/342679735.db2.gz OEHQWLKJHHIRKB-LBPRGKRZSA-N 1 0 294.355 1.682 20 5 CDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000592243460 342681045 /nfs/dbraw/zinc/68/10/45/342681045.db2.gz JTHQNDDJTOHLQQ-NOZJJQNGSA-N 1 0 293.298 1.558 20 5 CDBDRO COc1cc(C[NH2+][C@H]2CO[C@H](C)C2)c([N+](=O)[O-])cc1O ZINC000592379612 342687201 /nfs/dbraw/zinc/68/72/01/342687201.db2.gz RMTOEKGZCAPTCT-PSASIEDQSA-N 1 0 282.296 1.576 20 5 CDBDRO O=[N+]([O-])c1cccc(OCc2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000592356902 342687952 /nfs/dbraw/zinc/68/79/52/342687952.db2.gz KFJAXOHHRQAMEY-LLVKDONJSA-N 1 0 290.279 1.981 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCc1nc([C@H]2CCC[NH2+]2)no1 ZINC000592357685 342688368 /nfs/dbraw/zinc/68/83/68/342688368.db2.gz JZGRVBZURJEGAI-SECBINFHSA-N 1 0 290.279 1.981 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000592466502 342697646 /nfs/dbraw/zinc/69/76/46/342697646.db2.gz KZWXFDXLHHWAJJ-VIFPVBQESA-N 1 0 278.312 1.049 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000592475622 342699007 /nfs/dbraw/zinc/69/90/07/342699007.db2.gz QRVUEKMVNSSNOU-ZANVPECISA-N 1 0 283.303 1.282 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000592554083 342709168 /nfs/dbraw/zinc/70/91/68/342709168.db2.gz BVWJJTBLRBURJZ-UWVGGRQHSA-N 1 0 281.287 1.333 20 5 CDBDRO C[C@@H]1[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000592744214 342721049 /nfs/dbraw/zinc/72/10/49/342721049.db2.gz NQVBEZVBNLHTEP-BXKDBHETSA-N 1 0 263.297 1.874 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000289864358 361866967 /nfs/dbraw/zinc/86/69/67/361866967.db2.gz GRZZHXGSBVRTFY-CMPLNLGQSA-N 1 0 289.335 1.872 20 5 CDBDRO CCc1nn(C)c(N[C@@H]2CC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000588818459 342222545 /nfs/dbraw/zinc/22/25/45/342222545.db2.gz UGSWTIHNZYCRIE-LLVKDONJSA-N 1 0 293.371 1.787 20 5 CDBDRO [NH3+][C@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420110275 539107016 /nfs/dbraw/zinc/10/70/16/539107016.db2.gz FGLDJBPJWHNROW-JTQLQIEISA-N 1 0 289.295 1.572 20 5 CDBDRO C[NH2+]C1(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCC1 ZINC000600825931 342251766 /nfs/dbraw/zinc/25/17/66/342251766.db2.gz WAQLVADSKSBNIK-UHFFFAOYSA-N 1 0 279.296 1.172 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@H]1CC[NH3+] ZINC000404303545 346904983 /nfs/dbraw/zinc/90/49/83/346904983.db2.gz BYNPSKQOFXTZNC-QWRGUYRKSA-N 1 0 294.355 1.523 20 5 CDBDRO C[C@H](Cn1cncn1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000595029043 342996660 /nfs/dbraw/zinc/99/66/60/342996660.db2.gz VAPPVWHSSQXING-LLVKDONJSA-N 1 0 275.312 1.407 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000108330292 349735485 /nfs/dbraw/zinc/73/54/85/349735485.db2.gz VZDIUDVRSDRJNG-CYBMUJFWSA-N 1 0 291.351 1.595 20 5 CDBDRO CC[N@H+](C)C[C@H]1CCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595340499 343030632 /nfs/dbraw/zinc/03/06/32/343030632.db2.gz AYKKHECLCAXEOI-LLVKDONJSA-N 1 0 282.344 1.665 20 5 CDBDRO C[C@H](CO)[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](C)O ZINC000595458648 343068939 /nfs/dbraw/zinc/06/89/39/343068939.db2.gz LHVJTXXZOGFQTQ-ZJUUUORDSA-N 1 0 286.303 1.298 20 5 CDBDRO Cc1noc(C[N@@H+]2CC[C@H](CCCO)C2)c1[N+](=O)[O-] ZINC000595521951 343088349 /nfs/dbraw/zinc/08/83/49/343088349.db2.gz HLSBTSHSBNLFRV-JTQLQIEISA-N 1 0 269.301 1.486 20 5 CDBDRO C[C@H](CCN1CC[NH+](C)CC1)Nc1ncc([N+](=O)[O-])s1 ZINC000192535512 362011510 /nfs/dbraw/zinc/01/15/10/362011510.db2.gz ZOTQTPDKUJJRIP-SNVBAGLBSA-N 1 0 299.400 1.489 20 5 CDBDRO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@]1(C)CO ZINC000595872687 343177294 /nfs/dbraw/zinc/17/72/94/343177294.db2.gz KQNSBQWBRWSKDG-SWLSCSKDSA-N 1 0 294.351 1.924 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000595929749 343184054 /nfs/dbraw/zinc/18/40/54/343184054.db2.gz YIUJPEKJAUCSNX-CYBMUJFWSA-N 1 0 291.351 1.941 20 5 CDBDRO COC1CC[NH+](CCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000080249994 342351318 /nfs/dbraw/zinc/35/13/18/342351318.db2.gz VBHCLMIABDVUQZ-UHFFFAOYSA-N 1 0 280.328 1.513 20 5 CDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595812216 343161354 /nfs/dbraw/zinc/16/13/54/343161354.db2.gz XHTKBTYVZGTQNS-CABZTGNLSA-N 1 0 275.308 1.536 20 5 CDBDRO [NH3+]C1(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000595941044 343203681 /nfs/dbraw/zinc/20/36/81/343203681.db2.gz KWEMDIDHAOATIE-UHFFFAOYSA-N 1 0 291.351 1.915 20 5 CDBDRO Nc1ccc(N2CCC3(CC[NH2+]C3)CC2)nc1[N+](=O)[O-] ZINC000596012910 343218270 /nfs/dbraw/zinc/21/82/70/343218270.db2.gz CLHPMZRXTPKZGB-UHFFFAOYSA-N 1 0 277.328 1.152 20 5 CDBDRO Cc1cc(NC[C@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])s1 ZINC000596195060 343254589 /nfs/dbraw/zinc/25/45/89/343254589.db2.gz DTVZNSNHVOJXLJ-LLVKDONJSA-N 1 0 271.342 1.443 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)c1ccc(N)c([N+](=O)[O-])n1 ZINC000596194361 343254159 /nfs/dbraw/zinc/25/41/59/343254159.db2.gz KFXCNYGYCLRQKD-UHFFFAOYSA-N 1 0 265.317 1.102 20 5 CDBDRO C[NH2+]C[C@H](C)N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000596652804 343371729 /nfs/dbraw/zinc/37/17/29/343371729.db2.gz IBVMNMGAKCHAMO-QWRGUYRKSA-N 1 0 294.355 1.509 20 5 CDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCCC[NH2+]C1CC1 ZINC000209445156 342438698 /nfs/dbraw/zinc/43/86/98/342438698.db2.gz WWSMUEYCRAGYES-YVMONPNESA-N 1 0 289.335 1.866 20 5 CDBDRO COc1cc(N2C[C@@H](C[NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000216206631 342439370 /nfs/dbraw/zinc/43/93/70/342439370.db2.gz MGRRWMKWOOPPRP-NXEZZACHSA-N 1 0 265.313 1.777 20 5 CDBDRO C[C@@H](NC(=O)C1([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000596842257 343401843 /nfs/dbraw/zinc/40/18/43/343401843.db2.gz LSLMYKCIEMSBHN-SNVBAGLBSA-N 1 0 277.324 1.866 20 5 CDBDRO COc1ccc(C[NH2+]C2([C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000597234679 343490131 /nfs/dbraw/zinc/49/01/31/343490131.db2.gz NQPQKKBYWVJGMF-VIFPVBQESA-N 1 0 266.297 1.606 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1(C[NH3+])CCCC1 ZINC000111831957 365797150 /nfs/dbraw/zinc/79/71/50/365797150.db2.gz CLPCONXWFMBYQR-UHFFFAOYSA-N 1 0 277.324 1.905 20 5 CDBDRO C[C@H](CCNC(=O)c1ccc(F)cc1[N+](=O)[O-])[NH+](C)C ZINC000597993667 343683852 /nfs/dbraw/zinc/68/38/52/343683852.db2.gz VEDRROVFMJRPEW-SECBINFHSA-N 1 0 283.303 1.804 20 5 CDBDRO Cc1ccc(C(=O)NCC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000597999963 343685556 /nfs/dbraw/zinc/68/55/56/343685556.db2.gz UDJKKPGXBJZNOB-NSHDSACASA-N 1 0 279.340 1.973 20 5 CDBDRO Cc1nc(N[C@@H](C)C2=CC[N@H+](C)CC2)ncc1[N+](=O)[O-] ZINC000295084746 199336494 /nfs/dbraw/zinc/33/64/94/199336494.db2.gz ROCUIYHRYSQBJA-VIFPVBQESA-N 1 0 277.328 1.756 20 5 CDBDRO [NH3+][C@]12CCC[C@H]1CN(CCOc1ccccc1[N+](=O)[O-])C2 ZINC000598684381 343864916 /nfs/dbraw/zinc/86/49/16/343864916.db2.gz WIEJLRAGOZFLMN-WFASDCNBSA-N 1 0 291.351 1.787 20 5 CDBDRO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)CC(F)F ZINC000599022444 343940924 /nfs/dbraw/zinc/94/09/24/343940924.db2.gz KVIHQIXEZADVSR-UHFFFAOYSA-N 1 0 279.312 1.943 20 5 CDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000599674088 344114800 /nfs/dbraw/zinc/11/48/00/344114800.db2.gz WSORFHZWYFHDFI-TXEJJXNPSA-N 1 0 280.324 1.676 20 5 CDBDRO CC[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000600003371 344163631 /nfs/dbraw/zinc/16/36/31/344163631.db2.gz VRXSGPAYCUIKNT-SECBINFHSA-N 1 0 251.286 1.840 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601645198 344211428 /nfs/dbraw/zinc/21/14/28/344211428.db2.gz UYKAGYYZLZHQGC-SNVBAGLBSA-N 1 0 295.314 1.900 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601972013 344300223 /nfs/dbraw/zinc/30/02/23/344300223.db2.gz BBIQXPJFXRTZHA-ABAIWWIYSA-N 1 0 289.335 1.775 20 5 CDBDRO C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000602430605 344423380 /nfs/dbraw/zinc/42/33/80/344423380.db2.gz JPAQPYBCYOHHLG-VHSXEESVSA-N 1 0 295.314 1.852 20 5 CDBDRO CC(C)[N@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000085862713 344389703 /nfs/dbraw/zinc/38/97/03/344389703.db2.gz VSFQSHNDUQQOIU-UHFFFAOYSA-N 1 0 279.296 1.939 20 5 CDBDRO Cc1cc(C(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc([N+](=O)[O-])c1 ZINC000602526242 344454375 /nfs/dbraw/zinc/45/43/75/344454375.db2.gz GDYSZUIJTLOXLL-CQSZACIVSA-N 1 0 291.351 1.973 20 5 CDBDRO Cc1cc(C(=O)N2CC[NH2+]C[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000602528500 344455218 /nfs/dbraw/zinc/45/52/18/344455218.db2.gz NIPAJDLATYTMQL-CQSZACIVSA-N 1 0 291.351 1.973 20 5 CDBDRO CCn1ncnc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000602580163 344475076 /nfs/dbraw/zinc/47/50/76/344475076.db2.gz LBJDFIJBHNQSDD-UHFFFAOYSA-N 1 0 275.312 1.539 20 5 CDBDRO Cc1c(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000602588589 344479152 /nfs/dbraw/zinc/47/91/52/344479152.db2.gz BYSLNUGIUGHWIB-PHIMTYICSA-N 1 0 275.308 1.480 20 5 CDBDRO CN(CC[NH2+]CCc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000602732128 344569359 /nfs/dbraw/zinc/56/93/59/344569359.db2.gz ZCHATUMYWQKLAM-UHFFFAOYSA-N 1 0 287.310 1.924 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000602778181 344594424 /nfs/dbraw/zinc/59/44/24/344594424.db2.gz CPUYDRGINIJOHW-NXEZZACHSA-N 1 0 284.385 1.926 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]([NH+](C)C)C1 ZINC000602773821 344577720 /nfs/dbraw/zinc/57/77/20/344577720.db2.gz WQGUKZKJJMNQHU-LBPRGKRZSA-N 1 0 281.360 1.126 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000147947158 362444103 /nfs/dbraw/zinc/44/41/03/362444103.db2.gz RPKUYOKAVKIXEB-QMMMGPOBSA-N 1 0 255.299 1.090 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1[C@@H](C)CC[C@@H]1C ZINC000602786234 344599115 /nfs/dbraw/zinc/59/91/15/344599115.db2.gz DRWPUSOIRZGGSW-UWVGGRQHSA-N 1 0 252.318 1.973 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CC(C)(C)O)C1CC1 ZINC000602810143 344602798 /nfs/dbraw/zinc/60/27/98/344602798.db2.gz DVNWLTAALDSQET-UHFFFAOYSA-N 1 0 282.344 1.335 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CCC[C@@H]1CCO ZINC000602818195 344607891 /nfs/dbraw/zinc/60/78/91/344607891.db2.gz CGQOONOGQUYYHL-NEPJUHHUSA-N 1 0 282.344 1.240 20 5 CDBDRO CC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602899336 344653957 /nfs/dbraw/zinc/65/39/57/344653957.db2.gz ZFBCPESQHCVXTD-LLVKDONJSA-N 1 0 252.318 1.878 20 5 CDBDRO COC[C@](C)(CO)NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000602930764 344661866 /nfs/dbraw/zinc/66/18/66/344661866.db2.gz DCQGXVBVFQKPNM-LBPRGKRZSA-N 1 0 290.266 1.360 20 5 CDBDRO CC[NH2+]Cc1cn(CCOc2ccc([N+](=O)[O-])cc2)nn1 ZINC000603199707 344732384 /nfs/dbraw/zinc/73/23/84/344732384.db2.gz DKRUUMGSZYEXPY-UHFFFAOYSA-N 1 0 291.311 1.375 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(C)(F)CC1 ZINC000602992894 344682726 /nfs/dbraw/zinc/68/27/26/344682726.db2.gz JAKUSRNKURHYNO-UHFFFAOYSA-N 1 0 270.308 1.924 20 5 CDBDRO O=[N+]([O-])c1ncccc1NC[C@H]1CSCC[NH2+]1 ZINC000603419672 344799492 /nfs/dbraw/zinc/79/94/92/344799492.db2.gz PENYDNBTKKCGNJ-QMMMGPOBSA-N 1 0 254.315 1.107 20 5 CDBDRO CC[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000604264509 344871925 /nfs/dbraw/zinc/87/19/25/344871925.db2.gz AVVDZBBQOMZEMZ-UHFFFAOYSA-N 1 0 294.355 1.490 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000604485784 344895162 /nfs/dbraw/zinc/89/51/62/344895162.db2.gz GQKIUVAXDQWWNA-VIFPVBQESA-N 1 0 268.317 1.003 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000088147781 346013558 /nfs/dbraw/zinc/01/35/58/346013558.db2.gz OEWGQOKGCZNNDK-PWSUYJOCSA-N 1 0 277.324 1.713 20 5 CDBDRO CC(C)[NH2+]CCC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810258 346364524 /nfs/dbraw/zinc/36/45/24/346364524.db2.gz LMLSMHAYXAGSJY-UHFFFAOYSA-N 1 0 279.340 1.941 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CC[NH2+]C1CC1 ZINC000037810273 346364704 /nfs/dbraw/zinc/36/47/04/346364704.db2.gz FWBHXGJGZKENMU-UHFFFAOYSA-N 1 0 277.324 1.695 20 5 CDBDRO CS[C@H]1CN(c2cccnc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000611242380 346716806 /nfs/dbraw/zinc/71/68/06/346716806.db2.gz NWQSSLHQPXLHGG-MNOVXSKESA-N 1 0 282.369 1.472 20 5 CDBDRO O=[N+]([O-])c1ccsc1N1CCC([NH2+]CCO)CC1 ZINC000611414135 346780655 /nfs/dbraw/zinc/78/06/55/346780655.db2.gz IQYVLZBDUZKWMH-UHFFFAOYSA-N 1 0 271.342 1.207 20 5 CDBDRO Cc1cnc(N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000611299103 346740609 /nfs/dbraw/zinc/74/06/09/346740609.db2.gz OAHJPMUUPFPWNU-QWRGUYRKSA-N 1 0 264.329 1.827 20 5 CDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000611299259 346741257 /nfs/dbraw/zinc/74/12/57/346741257.db2.gz ZFSAFCAQQWIGLO-RKDXNWHRSA-N 1 0 295.368 1.833 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000160648860 370657674 /nfs/dbraw/zinc/65/76/74/370657674.db2.gz NQTKLUHRLXOZNQ-VIFPVBQESA-N 1 0 295.364 1.751 20 5 CDBDRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000104140770 185908855 /nfs/dbraw/zinc/90/88/55/185908855.db2.gz WXUGSSUTWJCQRB-QMMMGPOBSA-N 1 0 283.353 1.856 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000087383734 179417999 /nfs/dbraw/zinc/41/79/99/179417999.db2.gz NGHBNKPSCNSMJV-LBPRGKRZSA-N 1 0 263.297 1.370 20 5 CDBDRO CC(=O)N1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000059391570 348879566 /nfs/dbraw/zinc/87/95/66/348879566.db2.gz YBHXRGSEKSFYSI-UHFFFAOYSA-N 1 0 291.351 1.692 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+](CCO)CC2CC2)cc1 ZINC000065223154 348952765 /nfs/dbraw/zinc/95/27/65/348952765.db2.gz QNIQLFNUDKXPCF-UHFFFAOYSA-N 1 0 280.324 1.678 20 5 CDBDRO CC1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000111620688 349230239 /nfs/dbraw/zinc/23/02/39/349230239.db2.gz PZZJCPSSVYGCOO-LBPRGKRZSA-N 1 0 282.344 1.322 20 5 CDBDRO CCc1nn(C)c(NCC[NH+](CC)CC)c1[N+](=O)[O-] ZINC000091561845 180191855 /nfs/dbraw/zinc/19/18/55/180191855.db2.gz CURSFJSNPZOBBP-UHFFFAOYSA-N 1 0 269.349 1.644 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000092133465 180331203 /nfs/dbraw/zinc/33/12/03/180331203.db2.gz AUVHBOUQAADBBB-QMMMGPOBSA-N 1 0 251.286 1.697 20 5 CDBDRO C[NH2+]C[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000111051874 186348711 /nfs/dbraw/zinc/34/87/11/186348711.db2.gz MMGIKSZTAGMVSE-SNVBAGLBSA-N 1 0 265.313 1.649 20 5 CDBDRO CC[C@@H](C)[NH+]1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000313033711 350813260 /nfs/dbraw/zinc/81/32/60/350813260.db2.gz QKZWKNBOPJCCOW-SNVBAGLBSA-N 1 0 279.344 1.493 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000111303611 186393845 /nfs/dbraw/zinc/39/38/45/186393845.db2.gz XFNMVGBONTZBFH-JTQLQIEISA-N 1 0 251.286 1.370 20 5 CDBDRO CNC(=O)c1ccc(NC[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000291867300 198089441 /nfs/dbraw/zinc/08/94/41/198089441.db2.gz NHYTYGMKUWPLOO-SNVBAGLBSA-N 1 0 294.355 1.564 20 5 CDBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC)cc1[N+](=O)[O-] ZINC000291945177 198113666 /nfs/dbraw/zinc/11/36/66/198113666.db2.gz QENFPHVAWUYMES-UWVGGRQHSA-N 1 0 295.339 1.779 20 5 CDBDRO CNC(=O)CCC[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000154608923 188153103 /nfs/dbraw/zinc/15/31/03/188153103.db2.gz KZOCXSQAMIXTKA-UHFFFAOYSA-N 1 0 295.339 1.561 20 5 CDBDRO CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293722335 363209042 /nfs/dbraw/zinc/20/90/42/363209042.db2.gz MNLNDMPUOWEBPY-VYUIOLGVSA-N 1 0 299.396 1.940 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000382443018 363251158 /nfs/dbraw/zinc/25/11/58/363251158.db2.gz HBOJOVSTDUHVDY-JQWIXIFHSA-N 1 0 277.324 1.381 20 5 CDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC1(O)CCC1 ZINC000353483302 363364789 /nfs/dbraw/zinc/36/47/89/363364789.db2.gz OJFFLNZTMQLRHA-UHFFFAOYSA-N 1 0 280.324 1.820 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000457356754 366153419 /nfs/dbraw/zinc/15/34/19/366153419.db2.gz HJMQDIIYCDNRMU-GHMZBOCLSA-N 1 0 293.323 1.312 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000271879506 191386855 /nfs/dbraw/zinc/38/68/55/191386855.db2.gz MWRXLRMNTQMARP-UHFFFAOYSA-N 1 0 289.335 1.895 20 5 CDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1c([N+](=O)[O-])ncn1C ZINC000375754303 291062766 /nfs/dbraw/zinc/06/27/66/291062766.db2.gz NRVIMSBYRCXXFV-NWDGAFQWSA-N 1 0 293.371 1.387 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000558983891 356068150 /nfs/dbraw/zinc/06/81/50/356068150.db2.gz DPMHHGYVRFEGGU-VIFPVBQESA-N 1 0 295.368 1.834 20 5 CDBDRO CC[N@@H+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000286268387 356239561 /nfs/dbraw/zinc/23/95/61/356239561.db2.gz BHMVKQFJSHETLN-IUODEOHRSA-N 1 0 293.367 1.654 20 5 CDBDRO CC[N@@H+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000286268394 356239645 /nfs/dbraw/zinc/23/96/45/356239645.db2.gz BHMVKQFJSHETLN-WFASDCNBSA-N 1 0 293.367 1.654 20 5 CDBDRO CNC(=O)NC(=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000299728015 356243716 /nfs/dbraw/zinc/24/37/16/356243716.db2.gz VPAIABJYWZDNTA-VIFPVBQESA-N 1 0 294.311 1.091 20 5 CDBDRO CC[N@@H+]1CCCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000609511911 356389476 /nfs/dbraw/zinc/38/94/76/356389476.db2.gz WHXDIHZBRFKRNZ-UHFFFAOYSA-N 1 0 250.302 1.522 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C(C)(C)CO ZINC000134842795 356420755 /nfs/dbraw/zinc/42/07/55/356420755.db2.gz HHJRSGAPZAJTFI-UHFFFAOYSA-N 1 0 268.313 1.806 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000379423940 357113613 /nfs/dbraw/zinc/11/36/13/357113613.db2.gz CIQUMNIPEQEFRG-NWDGAFQWSA-N 1 0 263.341 1.820 20 5 CDBDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000047339022 357155144 /nfs/dbraw/zinc/15/51/44/357155144.db2.gz QKQBYGKAVNADPB-UHFFFAOYSA-N 1 0 269.301 1.505 20 5 CDBDRO Cc1cc(N2CC[NH+](CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000070980313 357178757 /nfs/dbraw/zinc/17/87/57/357178757.db2.gz SHHRWSNZDLCBJM-UHFFFAOYSA-N 1 0 293.367 1.796 20 5 CDBDRO CCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000282267542 357291997 /nfs/dbraw/zinc/29/19/97/357291997.db2.gz STTSOAWMLBEONO-UHFFFAOYSA-N 1 0 282.319 1.848 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000083662388 357301305 /nfs/dbraw/zinc/30/13/05/357301305.db2.gz FVEZARHGPOQEOI-GHMZBOCLSA-N 1 0 281.743 1.899 20 5 CDBDRO COC(=O)N1CC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000181464975 357350029 /nfs/dbraw/zinc/35/00/29/357350029.db2.gz AYJPEDDOEOROSA-SECBINFHSA-N 1 0 279.296 1.696 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000072622022 357354862 /nfs/dbraw/zinc/35/48/62/357354862.db2.gz ZQBHXXCELWKWOO-CQSZACIVSA-N 1 0 291.351 1.738 20 5 CDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccn1 ZINC000181804521 357380945 /nfs/dbraw/zinc/38/09/45/357380945.db2.gz RHYTZJXMAPOKRX-LLVKDONJSA-N 1 0 288.307 1.502 20 5 CDBDRO Cc1cc(OC[C@H](O)C[N@@H+](C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000290728597 357465273 /nfs/dbraw/zinc/46/52/73/357465273.db2.gz FSQYSAZCBSOGKZ-LLVKDONJSA-N 1 0 298.314 1.876 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(O)CCCC2)c1 ZINC000096478929 357478796 /nfs/dbraw/zinc/47/87/96/357478796.db2.gz HLVSRQOYWSMNOO-UHFFFAOYSA-N 1 0 250.298 1.990 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CNCC(=O)N(C)CC ZINC000185176443 357518101 /nfs/dbraw/zinc/51/81/01/357518101.db2.gz STWQMNMPOJATIZ-UHFFFAOYSA-N 1 0 295.339 1.561 20 5 CDBDRO O=[N+]([O-])c1ccn(CCN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000584460321 357642514 /nfs/dbraw/zinc/64/25/14/357642514.db2.gz WYSZISGQFAKXPY-CHWSQXEVSA-N 1 0 293.371 1.398 20 5 CDBDRO CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284064547 357637041 /nfs/dbraw/zinc/63/70/41/357637041.db2.gz LAOBOWQQXGTZRF-NOZJJQNGSA-N 1 0 267.329 1.989 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000306016810 357695259 /nfs/dbraw/zinc/69/52/59/357695259.db2.gz PONUVFGLFSTYIV-UHFFFAOYSA-N 1 0 251.286 1.324 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000135236973 357800680 /nfs/dbraw/zinc/80/06/80/357800680.db2.gz NPPCDQJHZCSYDS-ZJUUUORDSA-N 1 0 295.314 1.933 20 5 CDBDRO CN(CC(C)(C)C[NH3+])C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135243492 357803936 /nfs/dbraw/zinc/80/39/36/357803936.db2.gz ZIGLVJWYSGYIFW-UHFFFAOYSA-N 1 0 283.303 1.791 20 5 CDBDRO COC(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000188691168 357926957 /nfs/dbraw/zinc/92/69/57/357926957.db2.gz USNNEHHUGSSHCL-UHFFFAOYSA-N 1 0 264.281 1.638 20 5 CDBDRO O=[N+]([O-])c1ccc(NCC[N@@H+]2CCCOCC2)nc1 ZINC000188495763 357904281 /nfs/dbraw/zinc/90/42/81/357904281.db2.gz KZWMINDRWJAZSH-UHFFFAOYSA-N 1 0 266.301 1.124 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000294715052 199148437 /nfs/dbraw/zinc/14/84/37/199148437.db2.gz BSYRMUFTYPGYEZ-FBOQAHMBSA-N 1 0 277.324 1.852 20 5 CDBDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000193580978 358305337 /nfs/dbraw/zinc/30/53/37/358305337.db2.gz WEIVIIZUAMWZGY-GXFFZTMASA-N 1 0 293.323 1.088 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000193621370 358309502 /nfs/dbraw/zinc/30/95/02/358309502.db2.gz YUBFJMZYPBGZMS-FZMZJTMJSA-N 1 0 291.351 1.784 20 5 CDBDRO CC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000058100286 358671060 /nfs/dbraw/zinc/67/10/60/358671060.db2.gz OHGXGZICMYLDCY-SECBINFHSA-N 1 0 251.286 1.921 20 5 CDBDRO CCC[C@H](O)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567877862 358742221 /nfs/dbraw/zinc/74/22/21/358742221.db2.gz VFZMOIQIYMDADI-NWDGAFQWSA-N 1 0 298.339 1.085 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1OCC[C@H]1CC[NH2+]C1 ZINC000396654615 358787771 /nfs/dbraw/zinc/78/77/71/358787771.db2.gz PPEPZOLSSBVKMZ-SNVBAGLBSA-N 1 0 266.297 1.982 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000186837581 358829734 /nfs/dbraw/zinc/82/97/34/358829734.db2.gz IDKTUWLISIRRAO-CABZTGNLSA-N 1 0 263.297 1.323 20 5 CDBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1(O)CCCC1 ZINC000152143993 366502489 /nfs/dbraw/zinc/50/24/89/366502489.db2.gz BDEDUWYADGHRAU-AWEZNQCLSA-N 1 0 294.351 1.865 20 5 CDBDRO NC(=O)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000033394601 358936559 /nfs/dbraw/zinc/93/65/59/358936559.db2.gz FUISRMQQWUOIIV-HYXAFXHYSA-N 1 0 289.335 1.805 20 5 CDBDRO CN(C)C(=O)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000051634388 358949305 /nfs/dbraw/zinc/94/93/05/358949305.db2.gz ZUGSSTOJXPAOKE-UHFFFAOYSA-N 1 0 265.313 1.553 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000104221601 358952192 /nfs/dbraw/zinc/95/21/92/358952192.db2.gz HMAXEKFPCQSXQW-QMMMGPOBSA-N 1 0 271.704 1.715 20 5 CDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])s1 ZINC000104356222 358956532 /nfs/dbraw/zinc/95/65/32/358956532.db2.gz SXUQXHYBMUKEQR-MRVPVSSYSA-N 1 0 269.326 1.386 20 5 CDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000050162883 359352621 /nfs/dbraw/zinc/35/26/21/359352621.db2.gz KKTYRDXSGMNGGZ-ZYHUDNBSSA-N 1 0 277.324 1.713 20 5 CDBDRO C[C@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000081900589 359433521 /nfs/dbraw/zinc/43/35/21/359433521.db2.gz NNRRRARIALDXAY-ZJUUUORDSA-N 1 0 286.353 1.679 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050228691 359394456 /nfs/dbraw/zinc/39/44/56/359394456.db2.gz ZPGKEDNKJBIAAJ-MRVPVSSYSA-N 1 0 269.688 1.421 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000080160820 359525621 /nfs/dbraw/zinc/52/56/21/359525621.db2.gz BWDPCFMFMYAPKR-UHFFFAOYSA-N 1 0 266.301 1.620 20 5 CDBDRO CCC[NH2+]CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000054264198 360066372 /nfs/dbraw/zinc/06/63/72/360066372.db2.gz QRSJOUKVGUJAGR-UHFFFAOYSA-N 1 0 265.313 1.253 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H]2CCC[NH2+]2)c1 ZINC000166670611 360210657 /nfs/dbraw/zinc/21/06/57/360210657.db2.gz GQIXVFOYCKZXBB-LLVKDONJSA-N 1 0 277.324 1.775 20 5 CDBDRO C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000235612242 360212877 /nfs/dbraw/zinc/21/28/77/360212877.db2.gz CKWMYTWJXFMSKO-SMDDNHRTSA-N 1 0 291.351 1.723 20 5 CDBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])o1 ZINC000166679953 360214238 /nfs/dbraw/zinc/21/42/38/360214238.db2.gz AUPNBYBONYPFLH-MRVPVSSYSA-N 1 0 253.258 1.060 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3CC3)C2)nc1 ZINC000237987077 360316667 /nfs/dbraw/zinc/31/66/67/360316667.db2.gz PJPMTGILVBCRIQ-LLVKDONJSA-N 1 0 262.313 1.886 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000162839842 360532941 /nfs/dbraw/zinc/53/29/41/360532941.db2.gz HEDZWHKSFRXXLV-GWCFXTLKSA-N 1 0 293.323 1.069 20 5 CDBDRO COC[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178207315 189097571 /nfs/dbraw/zinc/09/75/71/189097571.db2.gz LPOOOLTVCIACIZ-LBPRGKRZSA-N 1 0 293.323 1.548 20 5 CDBDRO Cc1nc(N2CCC[N@@H+](C(C)C)CC2)ncc1[N+](=O)[O-] ZINC000297234303 360638387 /nfs/dbraw/zinc/63/83/87/360638387.db2.gz UFVKTRYMBNQWTB-UHFFFAOYSA-N 1 0 279.344 1.614 20 5 CDBDRO CC(C)[C@@H](C[NH3+])C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000087525894 360787705 /nfs/dbraw/zinc/78/77/05/360787705.db2.gz FSMOGNFWBCXCQT-GFCCVEGCSA-N 1 0 279.340 1.784 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC000179000494 189160460 /nfs/dbraw/zinc/16/04/60/189160460.db2.gz IFLRXKZZLWBPMK-JTQLQIEISA-N 1 0 292.339 1.167 20 5 CDBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000289734743 360819891 /nfs/dbraw/zinc/81/98/91/360819891.db2.gz VNDDMBDHJCOQLJ-NEPJUHHUSA-N 1 0 263.297 1.921 20 5 CDBDRO Cc1c(C(=O)N(C)[C@@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000179186540 189175654 /nfs/dbraw/zinc/17/56/54/189175654.db2.gz WYOBPNXCHPGTSJ-QMMMGPOBSA-N 1 0 251.286 1.322 20 5 CDBDRO CSc1ccc(C(=O)N(C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000179197866 189176897 /nfs/dbraw/zinc/17/68/97/189176897.db2.gz QUNWITXCFUCJRL-QMMMGPOBSA-N 1 0 283.353 1.736 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000177520625 238310826 /nfs/dbraw/zinc/31/08/26/238310826.db2.gz PQZLHHSXHMQEGW-TXEJJXNPSA-N 1 0 264.329 1.913 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000053202005 361203840 /nfs/dbraw/zinc/20/38/40/361203840.db2.gz GBZPPQUVZFIGNJ-LLVKDONJSA-N 1 0 277.324 1.727 20 5 CDBDRO CC[C@H]([NH2+][C@@H]1COC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000295851597 370693011 /nfs/dbraw/zinc/69/30/11/370693011.db2.gz DYQHDAGOIQMETC-YNEHKIRRSA-N 1 0 266.297 1.395 20 5 CDBDRO CSc1ccc(C(=O)NC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000137422916 361363477 /nfs/dbraw/zinc/36/34/77/361363477.db2.gz IPIIKGWYFVCPPA-SNVBAGLBSA-N 1 0 295.364 1.784 20 5 CDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC000160853591 361439356 /nfs/dbraw/zinc/43/93/56/361439356.db2.gz YOJZBHFFAGOEPZ-UHFFFAOYSA-N 1 0 293.323 1.186 20 5 CDBDRO C[C@H]1CC2(CN1C(=O)c1ccc([N+](=O)[O-])o1)CC[NH2+]CC2 ZINC000572713211 361503856 /nfs/dbraw/zinc/50/38/56/361503856.db2.gz RWOPXNLIIPPYED-JTQLQIEISA-N 1 0 293.323 1.792 20 5 CDBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000137520121 364004928 /nfs/dbraw/zinc/00/49/28/364004928.db2.gz QXDDMPOJDGMGPY-JTQLQIEISA-N 1 0 297.359 1.558 20 5 CDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000581318967 363978662 /nfs/dbraw/zinc/97/86/62/363978662.db2.gz NELNLJKSECHICV-QWHCGFSZSA-N 1 0 280.324 1.723 20 5 CDBDRO C[NH2+]CCSCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000581882374 364050016 /nfs/dbraw/zinc/05/00/16/364050016.db2.gz REUDIVTXIKLFKQ-UHFFFAOYSA-N 1 0 283.353 1.794 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[NH2+]C1 ZINC000581932893 364058632 /nfs/dbraw/zinc/05/86/32/364058632.db2.gz TYCAFHZZPQYQEO-NSHDSACASA-N 1 0 278.312 1.146 20 5 CDBDRO CC[C@@H](CO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582073183 364067595 /nfs/dbraw/zinc/06/75/95/364067595.db2.gz VYIDZPXRFZGAKB-JOYOIKCWSA-N 1 0 250.298 1.943 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000237190149 364190505 /nfs/dbraw/zinc/19/05/05/364190505.db2.gz JEVDKQHOHZNBAC-VIFPVBQESA-N 1 0 279.296 1.037 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000237191455 364262815 /nfs/dbraw/zinc/26/28/15/364262815.db2.gz ZAOQDLROXDWIQW-LLVKDONJSA-N 1 0 279.296 1.071 20 5 CDBDRO Cc1ccc(CNCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000034994824 364502920 /nfs/dbraw/zinc/50/29/20/364502920.db2.gz BVMDDVGJXPFLIM-UHFFFAOYSA-N 1 0 251.330 1.945 20 5 CDBDRO C[C@](C[NH3+])(NC(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000148955826 364548233 /nfs/dbraw/zinc/54/82/33/364548233.db2.gz BSKQEVGXUWJDMW-LLVKDONJSA-N 1 0 269.326 1.514 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290195407 364514459 /nfs/dbraw/zinc/51/44/59/364514459.db2.gz QSDBCDWBQJUKQS-NSHDSACASA-N 1 0 293.323 1.650 20 5 CDBDRO O=C1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CN1 ZINC000104349431 364655273 /nfs/dbraw/zinc/65/52/73/364655273.db2.gz PLHCIGOUFSZQFH-QMMMGPOBSA-N 1 0 255.299 1.025 20 5 CDBDRO CC(C)(C)[C@@H](CO)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000193101086 364961837 /nfs/dbraw/zinc/96/18/37/364961837.db2.gz LHMPVJWGPSRMMP-CYBMUJFWSA-N 1 0 282.340 1.970 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC[C@H]1C[NH2+]CCO1 ZINC000158956699 364989645 /nfs/dbraw/zinc/98/96/45/364989645.db2.gz MTHHRXYRQARZOR-SNVBAGLBSA-N 1 0 251.286 1.304 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1C[NH2+]CCO1 ZINC000158956546 364991432 /nfs/dbraw/zinc/99/14/32/364991432.db2.gz MTHHRXYRQARZOR-JTQLQIEISA-N 1 0 251.286 1.304 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[N@@H+](CCO)C1CCOCC1 ZINC000275478607 193053754 /nfs/dbraw/zinc/05/37/54/193053754.db2.gz DPSKQJXMOYWSEA-UHFFFAOYSA-N 1 0 280.324 1.568 20 5 CDBDRO CCC[N@H+](CC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000270468257 366886106 /nfs/dbraw/zinc/88/61/06/366886106.db2.gz BRDUEEBHKUDYNE-UHFFFAOYSA-N 1 0 253.302 1.488 20 5 CDBDRO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000270871991 366939314 /nfs/dbraw/zinc/93/93/14/366939314.db2.gz JIBJUMBNILWFCC-AAEUAGOBSA-N 1 0 250.298 1.798 20 5 CDBDRO CC(C)C[C@H]([NH3+])c1noc(-c2cc([N+](=O)[O-])cnc2N)n1 ZINC000414624984 241282766 /nfs/dbraw/zinc/28/27/66/241282766.db2.gz OYQCEHXSNXSTOV-VIFPVBQESA-N 1 0 292.299 1.668 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000414649241 241299599 /nfs/dbraw/zinc/29/95/99/241299599.db2.gz CEGCGCXNAREQGU-NSHDSACASA-N 1 0 294.311 1.462 20 5 CDBDRO Cc1ccc(NC(=O)NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000414661298 241307284 /nfs/dbraw/zinc/30/72/84/241307284.db2.gz PLJCJOWLBVGZTG-UHFFFAOYSA-N 1 0 266.301 1.762 20 5 CDBDRO COCC[NH2+]CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000414664631 241309579 /nfs/dbraw/zinc/30/95/79/241309579.db2.gz UAIXWTGSTDMBPJ-UHFFFAOYSA-N 1 0 296.327 1.261 20 5 CDBDRO Cc1c(NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cccc1[N+](=O)[O-] ZINC000414706799 241342914 /nfs/dbraw/zinc/34/29/14/241342914.db2.gz OOCKQJWZPPHMRN-GDGBQDQQSA-N 1 0 276.296 1.243 20 5 CDBDRO CCOCC[N@H+](CC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090529903 367570704 /nfs/dbraw/zinc/57/07/04/367570704.db2.gz YHEZSIFBLOYVQV-UHFFFAOYSA-N 1 0 283.328 1.115 20 5 CDBDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000272492328 367742502 /nfs/dbraw/zinc/74/25/02/367742502.db2.gz CIMOWLKHOZVOJD-VHSXEESVSA-N 1 0 291.307 1.939 20 5 CDBDRO C[C@H](NC(=O)N1CCC[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000418229197 242798487 /nfs/dbraw/zinc/79/84/87/242798487.db2.gz GHVHCRHEZDVJIN-JQWIXIFHSA-N 1 0 292.339 1.789 20 5 CDBDRO C[N@H+](CCNC(=O)Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000266118829 368556677 /nfs/dbraw/zinc/55/66/77/368556677.db2.gz VWUDQMDMXSDNND-UHFFFAOYSA-N 1 0 277.324 1.348 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc([N+](=O)[O-])c1 ZINC000385180463 368790750 /nfs/dbraw/zinc/79/07/50/368790750.db2.gz CSCHRMFSHYGTBB-MFKMUULPSA-N 1 0 275.308 1.337 20 5 CDBDRO COCCOCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037562650 369080245 /nfs/dbraw/zinc/08/02/45/369080245.db2.gz ASQIBYQWGHTRAM-UHFFFAOYSA-N 1 0 274.342 1.799 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420305382 244055585 /nfs/dbraw/zinc/05/55/85/244055585.db2.gz ZANMAQPEVHWSNR-LLVKDONJSA-N 1 0 292.339 1.217 20 5 CDBDRO COc1ccc(OCCN2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC000420338098 244107239 /nfs/dbraw/zinc/10/72/39/244107239.db2.gz OPAQFACUQYUNBN-LLVKDONJSA-N 1 0 295.339 1.276 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C[C@@H](O)C[NH3+] ZINC000420362086 244145010 /nfs/dbraw/zinc/14/50/10/244145010.db2.gz YWZRNKUXVNYNSC-PWSUYJOCSA-N 1 0 267.329 1.216 20 5 CDBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000351823124 369303830 /nfs/dbraw/zinc/30/38/30/369303830.db2.gz CKMXVHGJPUMYCQ-GWCFXTLKSA-N 1 0 293.323 1.236 20 5 CDBDRO CC(C)[NH+]1CCC(N(C)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000330887032 203353675 /nfs/dbraw/zinc/35/36/75/203353675.db2.gz SHBGYEXTQYTJLE-UHFFFAOYSA-N 1 0 295.387 1.596 20 5 CDBDRO C[N@H+]1CC=C(CNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000276320902 193286236 /nfs/dbraw/zinc/28/62/36/193286236.db2.gz FIABUSOHXDZWBZ-UHFFFAOYSA-N 1 0 290.323 1.169 20 5 CDBDRO NC(=O)C[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000367981854 371268290 /nfs/dbraw/zinc/26/82/90/371268290.db2.gz FFOSHPIZUGJHJA-SNVBAGLBSA-N 1 0 297.742 1.946 20 5 CDBDRO C[C@@H](CO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000086632164 371686164 /nfs/dbraw/zinc/68/61/64/371686164.db2.gz FBASKBCHQPELRR-MRVPVSSYSA-N 1 0 258.705 1.966 20 5 CDBDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000269652072 373369407 /nfs/dbraw/zinc/36/94/07/373369407.db2.gz HZNYCYXXEZXDTP-ZANVPECISA-N 1 0 295.339 1.593 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417761634 374253329 /nfs/dbraw/zinc/25/33/29/374253329.db2.gz HNLPDKORUCRRDK-NSHDSACASA-N 1 0 280.328 1.174 20 5 CDBDRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000113350258 374253340 /nfs/dbraw/zinc/25/33/40/374253340.db2.gz ZIICEBSDLVEKJM-SNVBAGLBSA-N 1 0 286.353 1.508 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000113452164 374257472 /nfs/dbraw/zinc/25/74/72/374257472.db2.gz AKXGEWFEWXKHKP-LLVKDONJSA-N 1 0 277.324 1.619 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000113246875 374247073 /nfs/dbraw/zinc/24/70/73/374247073.db2.gz PZYDOJUNHOZCGG-LLVKDONJSA-N 1 0 292.339 1.343 20 5 CDBDRO C[NH2+]CCNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000420160343 374289446 /nfs/dbraw/zinc/28/94/46/374289446.db2.gz ULHPBQBXOSQZCU-UHFFFAOYSA-N 1 0 253.258 1.013 20 5 CDBDRO C[C@H](NC[C@H]1C[NH2+]CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423506512 374385851 /nfs/dbraw/zinc/38/58/51/374385851.db2.gz HATZEQORPVVGGR-SMDDNHRTSA-N 1 0 279.340 1.624 20 5 CDBDRO CC[C@H](NC[C@H]1C[NH2+]CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423480667 374386126 /nfs/dbraw/zinc/38/61/26/374386126.db2.gz PMKACEYROOLHFQ-CABCVRRESA-N 1 0 292.383 1.539 20 5 CDBDRO C[C@@H](NC[C@H]1C[NH2+]CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423487761 374386756 /nfs/dbraw/zinc/38/67/56/374386756.db2.gz XTXNJEOAVMXHCS-BXUZGUMPSA-N 1 0 278.356 1.149 20 5 CDBDRO COc1cc(C(=O)N[C@H](C)CC[NH3+])cc([N+](=O)[O-])c1C ZINC000423534678 374390173 /nfs/dbraw/zinc/39/01/73/374390173.db2.gz WNZCSINLVNXEHP-MRVPVSSYSA-N 1 0 281.312 1.379 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000372961490 374458115 /nfs/dbraw/zinc/45/81/15/374458115.db2.gz SGONQPNNZKZQQT-GFCCVEGCSA-N 1 0 281.360 1.207 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000424031446 246299541 /nfs/dbraw/zinc/29/95/41/246299541.db2.gz ISECJCAOQDYXIW-UHFFFAOYSA-N 1 0 295.339 1.432 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1C[NH3+] ZINC000070176554 374655487 /nfs/dbraw/zinc/65/54/87/374655487.db2.gz OZLWFSTUUQXBPR-PSASIEDQSA-N 1 0 266.301 1.122 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000449526107 374817838 /nfs/dbraw/zinc/81/78/38/374817838.db2.gz YURYRGGNUQFHKF-RISCZKNCSA-N 1 0 279.315 1.870 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000277039365 374768935 /nfs/dbraw/zinc/76/89/35/374768935.db2.gz JXQUFCYNLLWNRZ-VIFPVBQESA-N 1 0 265.313 1.336 20 5 CDBDRO COC(=O)C(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000093716400 374780431 /nfs/dbraw/zinc/78/04/31/374780431.db2.gz NDNAVWGGZUKVDL-UHFFFAOYSA-N 1 0 266.297 1.884 20 5 CDBDRO CC1(C)CCC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000330960274 374875392 /nfs/dbraw/zinc/87/53/92/374875392.db2.gz JFVPFVFFWRYSTE-UHFFFAOYSA-N 1 0 294.355 1.775 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCC[NH+]1CCCCC1 ZINC000330975029 374876857 /nfs/dbraw/zinc/87/68/57/374876857.db2.gz JHHZQDXLSYWXOB-UHFFFAOYSA-N 1 0 252.318 1.976 20 5 CDBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331332564 374930399 /nfs/dbraw/zinc/93/03/99/374930399.db2.gz SIFMWIWYBBVZLG-NEPJUHHUSA-N 1 0 282.344 1.417 20 5 CDBDRO CCc1nn(C)c(NCC[N@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000280287296 374990157 /nfs/dbraw/zinc/99/01/57/374990157.db2.gz QFFGEPDTLFQRQH-UHFFFAOYSA-N 1 0 279.344 1.565 20 5 CDBDRO CC[N@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000280639373 375009018 /nfs/dbraw/zinc/00/90/18/375009018.db2.gz VDOUEDUYOSCOQJ-UHFFFAOYSA-N 1 0 295.339 1.350 20 5 CDBDRO COCC[C@@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000281114912 375035995 /nfs/dbraw/zinc/03/59/95/375035995.db2.gz ADXTYJWDBVZDQN-PWSUYJOCSA-N 1 0 268.313 1.643 20 5 CDBDRO CCC(CC)(CCO)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000282488440 375091550 /nfs/dbraw/zinc/09/15/50/375091550.db2.gz PMMGAOIINZHKLT-UHFFFAOYSA-N 1 0 297.355 1.287 20 5 CDBDRO CC[NH+](CC)[C@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000332670082 375043480 /nfs/dbraw/zinc/04/34/80/375043480.db2.gz QQVAWBPNJHWAEL-NSHDSACASA-N 1 0 281.360 1.244 20 5 CDBDRO CC[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000299269224 375137087 /nfs/dbraw/zinc/13/70/87/375137087.db2.gz HXQTXYPTMNTLGZ-UHFFFAOYSA-N 1 0 266.301 1.668 20 5 CDBDRO C[NH+]1CCC(CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000299680959 375194309 /nfs/dbraw/zinc/19/43/09/375194309.db2.gz QYVZQMZIOFFNIL-UHFFFAOYSA-N 1 0 280.328 1.385 20 5 CDBDRO CC[NH2+]CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000132629997 375545467 /nfs/dbraw/zinc/54/54/67/375545467.db2.gz YBPGNQIBBPYSKD-UHFFFAOYSA-N 1 0 271.704 1.588 20 5 CDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1C ZINC000353235801 375589260 /nfs/dbraw/zinc/58/92/60/375589260.db2.gz SAHFLBLJUASLAS-ZJUUUORDSA-N 1 0 295.343 1.263 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000353422696 375607394 /nfs/dbraw/zinc/60/73/94/375607394.db2.gz OZAPJHGSGONJJU-NSHDSACASA-N 1 0 292.339 1.385 20 5 CDBDRO C[C@@H](CC(N)=O)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000344888937 375649533 /nfs/dbraw/zinc/64/95/33/375649533.db2.gz OJPOXGDEEISQGX-RWCYGVJQSA-N 1 0 263.297 1.462 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000058148675 375670697 /nfs/dbraw/zinc/67/06/97/375670697.db2.gz IJJUZPLTYTVVBE-LBPRGKRZSA-N 1 0 289.335 1.490 20 5 CDBDRO C[NH+](C)C[C@](C)(O)CNc1nc2sccn2c1[N+](=O)[O-] ZINC000133076234 375683095 /nfs/dbraw/zinc/68/30/95/375683095.db2.gz AGZFUIZUHDHNIX-LLVKDONJSA-N 1 0 299.356 1.029 20 5 CDBDRO CC[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000228393656 375755192 /nfs/dbraw/zinc/75/51/92/375755192.db2.gz NLYZTBFTKZVPEA-JSGCOSHPSA-N 1 0 291.351 1.723 20 5 CDBDRO CC[N@H+](CCC1CC1)CCn1cc([N+](=O)[O-])cn1 ZINC000355067264 375771570 /nfs/dbraw/zinc/77/15/70/375771570.db2.gz UPRPKDAUFHVBIR-UHFFFAOYSA-N 1 0 252.318 1.913 20 5 CDBDRO COc1ccc(C[NH2+][C@@H](CO)CC(F)F)cc1[N+](=O)[O-] ZINC000428638017 247339045 /nfs/dbraw/zinc/33/90/45/247339045.db2.gz FIZWZCPXAIXUOI-SECBINFHSA-N 1 0 290.266 1.709 20 5 CDBDRO O=[N+]([O-])c1cnn(CCN2CCc3ccc(F)cc3C2)c1 ZINC000134022006 375802965 /nfs/dbraw/zinc/80/29/65/375802965.db2.gz KAGSUZQSBCNHRM-UHFFFAOYSA-N 1 0 290.298 1.989 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000347353777 375812745 /nfs/dbraw/zinc/81/27/45/375812745.db2.gz HJRYCEMNVBFPRB-LWMSPQMPSA-N 1 0 289.335 1.805 20 5 CDBDRO COc1c(C(=O)NCc2[nH]cnc2C)cccc1[N+](=O)[O-] ZINC000356273642 375829709 /nfs/dbraw/zinc/82/97/09/375829709.db2.gz HFAHBUMHXHCELV-UHFFFAOYSA-N 1 0 290.279 1.565 20 5 CDBDRO CC1(C)CN(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000171767066 377003750 /nfs/dbraw/zinc/00/37/50/377003750.db2.gz AQYMPORMUZGMIL-UHFFFAOYSA-N 1 0 293.367 1.795 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3(CO)CCCC3)nc2c1 ZINC000444658291 250160114 /nfs/dbraw/zinc/16/01/14/250160114.db2.gz FOUVVIVCKCTKKR-UHFFFAOYSA-N 1 0 290.323 1.866 20 5 CDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000246596847 379616292 /nfs/dbraw/zinc/61/62/92/379616292.db2.gz IUXPNDVFEDICTP-WDEREUQCSA-N 1 0 293.323 1.744 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000449757140 251002772 /nfs/dbraw/zinc/00/27/72/251002772.db2.gz XKMRGEYSZZCZCF-CYBMUJFWSA-N 1 0 291.351 1.784 20 5 CDBDRO CC[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(=O)NC ZINC000449770637 251009426 /nfs/dbraw/zinc/00/94/26/251009426.db2.gz GBRTXEUUDYNBDC-XYLWRLHESA-N 1 0 277.324 1.722 20 5 CDBDRO CCN(CCC[NH+](C)C)c1c([N+](=O)[O-])nc(C)n1CC ZINC000340918385 284889063 /nfs/dbraw/zinc/88/90/63/284889063.db2.gz ZVKHMLBYUMYORR-UHFFFAOYSA-N 1 0 283.376 1.898 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000382453982 412953997 /nfs/dbraw/zinc/95/39/97/412953997.db2.gz HQVUVLWQJKDLRX-NEPJUHHUSA-N 1 0 277.324 1.381 20 5 CDBDRO CC(C)[C@@H](CO)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000451610357 251771311 /nfs/dbraw/zinc/77/13/11/251771311.db2.gz KGUAYCZTUDDIHD-ZIAGYGMSSA-N 1 0 298.387 1.670 20 5 CDBDRO C[C@@H]1C[N@H+](C)CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491574834 253091978 /nfs/dbraw/zinc/09/19/78/253091978.db2.gz FVQKLXITIWQMJN-VVEJJEBESA-N 1 0 289.335 1.771 20 5 CDBDRO CC[NH2+]CCCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493141321 253381099 /nfs/dbraw/zinc/38/10/99/253381099.db2.gz QDVMJUUMCOZCPO-ALCCZGGFSA-N 1 0 295.314 1.863 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000288946527 197198088 /nfs/dbraw/zinc/19/80/88/197198088.db2.gz SBGZOHYOEXESLR-GFCCVEGCSA-N 1 0 291.355 1.570 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000288318263 197050308 /nfs/dbraw/zinc/05/03/08/197050308.db2.gz AAQBNVPLRJENLI-NSHDSACASA-N 1 0 298.364 1.509 20 5 CDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000286025955 390189100 /nfs/dbraw/zinc/18/91/00/390189100.db2.gz ZUYSFYKBSJUFEV-WDEREUQCSA-N 1 0 293.323 1.887 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000320698167 390488339 /nfs/dbraw/zinc/48/83/39/390488339.db2.gz NRMRGNGHZBXIND-ZJUUUORDSA-N 1 0 265.313 1.759 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000261873577 390491653 /nfs/dbraw/zinc/49/16/53/390491653.db2.gz ZJHLIADNKYRXQD-JGVFFNPUSA-N 1 0 293.352 1.773 20 5 CDBDRO CCO[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000451550917 390632612 /nfs/dbraw/zinc/63/26/12/390632612.db2.gz XGABTLUODIIEIF-WCQYABFASA-N 1 0 282.344 1.538 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000449243590 390821976 /nfs/dbraw/zinc/82/19/76/390821976.db2.gz LWHCOSQRDKBWLE-WFASDCNBSA-N 1 0 293.367 1.182 20 5 CDBDRO CO[C@H]1COC[C@@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000290032526 390942760 /nfs/dbraw/zinc/94/27/60/390942760.db2.gz CYCQSELNVXDRBJ-ILXRZTDVSA-N 1 0 292.335 1.976 20 5 CDBDRO Cc1cccc(C(=O)N2CCC(C[NH3+])CC2)c1[N+](=O)[O-] ZINC000044512866 390920017 /nfs/dbraw/zinc/92/00/17/390920017.db2.gz APCJRNOQBIRATA-UHFFFAOYSA-N 1 0 277.324 1.714 20 5 CDBDRO CNc1ccc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000516147112 390964711 /nfs/dbraw/zinc/96/47/11/390964711.db2.gz GBQRUVBDENHYOW-MWLCHTKSSA-N 1 0 292.339 1.494 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000411999294 390968908 /nfs/dbraw/zinc/96/89/08/390968908.db2.gz XJRHDGNGDSZMCK-GXFFZTMASA-N 1 0 298.314 1.611 20 5 CDBDRO COC[C@@](C)([NH3+])CNc1ccc(F)cc1[N+](=O)[O-] ZINC000264994291 390984578 /nfs/dbraw/zinc/98/45/78/390984578.db2.gz CHOSUVFYQLMGKF-NSHDSACASA-N 1 0 257.265 1.510 20 5 CDBDRO CN1CCO[C@@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000120997783 391118404 /nfs/dbraw/zinc/11/84/04/391118404.db2.gz CWWWPHPOPUAOFJ-UONOGXRCSA-N 1 0 277.324 1.110 20 5 CDBDRO C[C@H]([NH2+]C[C@@H]1CN(C)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000495790597 391120061 /nfs/dbraw/zinc/12/00/61/391120061.db2.gz AKTICZJQYVTGHP-JOYOIKCWSA-N 1 0 279.296 1.696 20 5 CDBDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000236971802 391127020 /nfs/dbraw/zinc/12/70/20/391127020.db2.gz SXJXVRFEKAPUSE-ZWNOBZJWSA-N 1 0 294.355 1.496 20 5 CDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000520348286 391270910 /nfs/dbraw/zinc/27/09/10/391270910.db2.gz OOGZDGJEAFKTBU-NSHDSACASA-N 1 0 294.355 1.538 20 5 CDBDRO COc1cc(C[NH2+][C@@H]2CO[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000574277712 391329132 /nfs/dbraw/zinc/32/91/32/391329132.db2.gz ZLSMKBSWUWXJIN-KOLCDFICSA-N 1 0 296.323 1.879 20 5 CDBDRO Cc1cc(NC(=O)N[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000415420592 391407380 /nfs/dbraw/zinc/40/73/80/391407380.db2.gz TXZKOEASBYGDFW-JTQLQIEISA-N 1 0 264.285 1.387 20 5 CDBDRO Cc1cc(NC(=O)NCC2C[NH2+]C2)ccc1[N+](=O)[O-] ZINC000415427385 391410233 /nfs/dbraw/zinc/41/02/33/391410233.db2.gz GAUMPQHMURCYSF-UHFFFAOYSA-N 1 0 264.285 1.244 20 5 CDBDRO COc1ccc(NC(=O)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000415453205 391459857 /nfs/dbraw/zinc/45/98/57/391459857.db2.gz YYCJYCUNSAOTCA-SNVBAGLBSA-N 1 0 294.311 1.477 20 5 CDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@H]1CC[NH2+]C1 ZINC000415634215 391470299 /nfs/dbraw/zinc/47/02/99/391470299.db2.gz RZGKGBUEIFYSII-QMMMGPOBSA-N 1 0 268.248 1.217 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CC[C@H](F)C2)c1 ZINC000521427475 391630719 /nfs/dbraw/zinc/63/07/19/391630719.db2.gz FHTWGDSMXNBSHU-GMXVVIOVSA-N 1 0 298.314 1.815 20 5 CDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000129630808 391600561 /nfs/dbraw/zinc/60/05/61/391600561.db2.gz VZHAZAIIMJFTCP-CHWSQXEVSA-N 1 0 280.324 1.723 20 5 CDBDRO CCNC(=O)[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449247642 391662004 /nfs/dbraw/zinc/66/20/04/391662004.db2.gz GAKAUWDGACWMDP-MNOVXSKESA-N 1 0 279.340 1.640 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000086468167 391665946 /nfs/dbraw/zinc/66/59/46/391665946.db2.gz MIMCCLWJKDYJST-DTWKUNHWSA-N 1 0 281.287 1.556 20 5 CDBDRO C[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000086471001 391666078 /nfs/dbraw/zinc/66/60/78/391666078.db2.gz BZWQGEHODWJYRU-IUCAKERBSA-N 1 0 253.277 1.921 20 5 CDBDRO COc1cc(C(=O)NCC[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000190331204 130090683 /nfs/dbraw/zinc/09/06/83/130090683.db2.gz KVHMVQZDQVFJHN-UHFFFAOYSA-N 1 0 281.312 1.203 20 5 CDBDRO CC[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000264324123 391826405 /nfs/dbraw/zinc/82/64/05/391826405.db2.gz AKGRMVZEVFTJPT-AWEZNQCLSA-N 1 0 279.340 1.488 20 5 CDBDRO CC[C@]1(O)CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000495228725 391907890 /nfs/dbraw/zinc/90/78/90/391907890.db2.gz LWLLVKLLQQIVJK-AWEZNQCLSA-N 1 0 280.324 1.950 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000416293977 391983632 /nfs/dbraw/zinc/98/36/32/391983632.db2.gz XADHFLYKCGVZSE-UHFFFAOYSA-N 1 0 253.258 1.012 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c1[N+](=O)[O-] ZINC000193531171 130630756 /nfs/dbraw/zinc/63/07/56/130630756.db2.gz GMBBTOBWFPHSRI-RKDXNWHRSA-N 1 0 295.343 1.141 20 5 CDBDRO C[C@H]1CO[C@H](CO)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000153335266 392062751 /nfs/dbraw/zinc/06/27/51/392062751.db2.gz FQIAFQDUOXNJOZ-FZMZJTMJSA-N 1 0 296.323 1.055 20 5 CDBDRO C[NH2+]CCCC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000237164665 131008947 /nfs/dbraw/zinc/00/89/47/131008947.db2.gz WODCJSFYZBFCMD-UHFFFAOYSA-N 1 0 280.328 1.123 20 5 CDBDRO C[C@@]1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000237498352 131036703 /nfs/dbraw/zinc/03/67/03/131036703.db2.gz KMELFTYVDNKFDO-CQSZACIVSA-N 1 0 292.339 1.123 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000237603042 131046395 /nfs/dbraw/zinc/04/63/95/131046395.db2.gz OVCVVFJZZNUYHH-WDEREUQCSA-N 1 0 293.323 1.182 20 5 CDBDRO Cc1cc(C(=O)N2CCC([NH3+])CC2)c(N)c([N+](=O)[O-])c1 ZINC000237679019 131051911 /nfs/dbraw/zinc/05/19/11/131051911.db2.gz FNIWYQCRNCGGTJ-UHFFFAOYSA-N 1 0 278.312 1.049 20 5 CDBDRO [NH3+]C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000237877229 131062794 /nfs/dbraw/zinc/06/27/94/131062794.db2.gz IIORAEKFDIKRBQ-LBPRGKRZSA-N 1 0 297.742 1.644 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000262549021 131232482 /nfs/dbraw/zinc/23/24/82/131232482.db2.gz WTPGNLUVDHENEK-QMMMGPOBSA-N 1 0 269.326 1.150 20 5 CDBDRO C[C@](C[NH3+])(NC(=O)c1cccc([N+](=O)[O-])c1N)C1CC1 ZINC000262613258 131241243 /nfs/dbraw/zinc/24/12/43/131241243.db2.gz FXONMRZQOSMYKZ-CYBMUJFWSA-N 1 0 278.312 1.034 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000262726153 131256742 /nfs/dbraw/zinc/25/67/42/131256742.db2.gz HFMGGVBTQFTMLX-IONNQARKSA-N 1 0 269.326 1.384 20 5 CDBDRO CCc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000262778980 131261096 /nfs/dbraw/zinc/26/10/96/131261096.db2.gz LZZJQQBWFOYLPP-ZWNOBZJWSA-N 1 0 291.351 1.885 20 5 CDBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000419369102 392891532 /nfs/dbraw/zinc/89/15/32/392891532.db2.gz HBFZMMBKCPFQJT-OUAUKWLOSA-N 1 0 252.318 1.768 20 5 CDBDRO Cc1c(C(=O)NCCC[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000269105107 132112574 /nfs/dbraw/zinc/11/25/74/132112574.db2.gz BFYQVADHTIAHRN-UHFFFAOYSA-N 1 0 296.283 1.198 20 5 CDBDRO C[NH2+]CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000269153999 132122318 /nfs/dbraw/zinc/12/23/18/132122318.db2.gz SFOCJLLFAJRQTG-UHFFFAOYSA-N 1 0 265.313 1.208 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000269270853 132147497 /nfs/dbraw/zinc/14/74/97/132147497.db2.gz MFBSZZJUQNEDGG-LLVKDONJSA-N 1 0 285.731 1.961 20 5 CDBDRO CCc1n[nH]c(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000422026617 392950902 /nfs/dbraw/zinc/95/09/02/392950902.db2.gz UIHZVTCEAJEVEN-VIFPVBQESA-N 1 0 295.343 1.047 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CNCCO1 ZINC000423556166 392964562 /nfs/dbraw/zinc/96/45/62/392964562.db2.gz HWBGLODFTJIWCO-YPMHNXCESA-N 1 0 279.340 1.104 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN(C)C ZINC000449268461 393132337 /nfs/dbraw/zinc/13/23/37/393132337.db2.gz HBSGVUOLKNCHKK-LLVKDONJSA-N 1 0 251.330 1.677 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000449721628 393139868 /nfs/dbraw/zinc/13/98/68/393139868.db2.gz UJXWVBGODUOURC-VHSXEESVSA-N 1 0 293.323 1.461 20 5 CDBDRO C[NH+](C)CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000278202225 393141132 /nfs/dbraw/zinc/14/11/32/393141132.db2.gz FECKCOKRCKYLPN-UHFFFAOYSA-N 1 0 250.302 1.536 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000215560389 393199807 /nfs/dbraw/zinc/19/98/07/393199807.db2.gz RILWJQJHKIICQH-OFSNVTPPSA-N 1 0 263.297 1.462 20 5 CDBDRO C[C@H]1C(=O)NCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000189308760 140112579 /nfs/dbraw/zinc/11/25/79/140112579.db2.gz INNRUIJDXHJKPQ-NSHDSACASA-N 1 0 293.323 1.184 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000192461354 140141037 /nfs/dbraw/zinc/14/10/37/140141037.db2.gz OQWQKHNGNGSXCO-JTQLQIEISA-N 1 0 282.369 1.973 20 5 CDBDRO CNC(=O)[C@H](C)C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255276189 140336285 /nfs/dbraw/zinc/33/62/85/140336285.db2.gz CXFRMYBZVWKPPG-XYLWRLHESA-N 1 0 291.351 1.922 20 5 CDBDRO COc1cc(C(=O)N2CC[C@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000261714791 140379677 /nfs/dbraw/zinc/37/96/77/140379677.db2.gz PNEGHWZQWJJTOI-CQSZACIVSA-N 1 0 293.323 1.414 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000261826997 140395536 /nfs/dbraw/zinc/39/55/36/140395536.db2.gz IBZDLHXEVWIIIU-AWEZNQCLSA-N 1 0 293.323 1.414 20 5 CDBDRO [NH3+]C1CCC(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000091843244 146994283 /nfs/dbraw/zinc/99/42/83/146994283.db2.gz DOXDWZFUMCWBLN-UHFFFAOYSA-N 1 0 269.326 1.656 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000093873375 147070905 /nfs/dbraw/zinc/07/09/05/147070905.db2.gz QJBGRDKUZFJFDT-UHFFFAOYSA-N 1 0 279.340 1.960 20 5 CDBDRO Cn1cnc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000095016040 147105758 /nfs/dbraw/zinc/10/57/58/147105758.db2.gz YFUDPRFNNZXLLT-UHFFFAOYSA-N 1 0 261.285 1.056 20 5 CDBDRO CO[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000167197544 147740212 /nfs/dbraw/zinc/74/02/12/147740212.db2.gz WZLPETQLPVHQIY-STQMWFEESA-N 1 0 293.323 1.173 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171451157 147794760 /nfs/dbraw/zinc/79/47/60/147794760.db2.gz UIPUMTFZCYWBNH-CQSZACIVSA-N 1 0 289.335 1.905 20 5 CDBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(N)=O ZINC000178688817 148073419 /nfs/dbraw/zinc/07/34/19/148073419.db2.gz GRBLJDAQWVDKJX-GXSJLCMTSA-N 1 0 265.313 1.818 20 5 CDBDRO CCOc1ccc(C(=O)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000178749318 148084760 /nfs/dbraw/zinc/08/47/60/148084760.db2.gz VSWXISJQQIVTOM-LLVKDONJSA-N 1 0 293.323 1.475 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000262016904 149001559 /nfs/dbraw/zinc/00/15/59/149001559.db2.gz RHUBVTMHFDOFFE-NXEZZACHSA-N 1 0 293.323 1.413 20 5 CDBDRO Cn1c(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000343642375 152254335 /nfs/dbraw/zinc/25/43/35/152254335.db2.gz OOMWBHVNGMFUMZ-AWEZNQCLSA-N 1 0 292.339 1.149 20 5 CDBDRO CC(C)(C)[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000344213903 152459314 /nfs/dbraw/zinc/45/93/14/152459314.db2.gz OLQQFOZVYXZLSI-DGCLKSJQSA-N 1 0 296.371 1.520 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]([NH3+])C1 ZINC000346099577 153051894 /nfs/dbraw/zinc/05/18/94/153051894.db2.gz SAXIEILGGOBLSX-NSHDSACASA-N 1 0 292.339 1.265 20 5 CDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H]1O ZINC000352700801 155376233 /nfs/dbraw/zinc/37/62/33/155376233.db2.gz UYIZHFVVPWEJRQ-KBPBESRZSA-N 1 0 264.325 1.983 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000277386117 292283637 /nfs/dbraw/zinc/28/36/37/292283637.db2.gz DAOQQKSTOFNWCL-PWSUYJOCSA-N 1 0 277.324 1.631 20 5 CDBDRO [NH3+]CCN(C[C@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000348919319 154007072 /nfs/dbraw/zinc/00/70/72/154007072.db2.gz FWDDZPPTUSHFAE-GFCCVEGCSA-N 1 0 279.340 1.787 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000348950328 154013203 /nfs/dbraw/zinc/01/32/03/154013203.db2.gz PGJIRKFSOHHXMS-CQSZACIVSA-N 1 0 294.355 1.682 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000349988180 154300173 /nfs/dbraw/zinc/30/01/73/154300173.db2.gz MUKJUVVSZRMYRA-SNVBAGLBSA-N 1 0 279.340 1.726 20 5 CDBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000353962128 156188018 /nfs/dbraw/zinc/18/80/18/156188018.db2.gz YBWUOFGHDUONPN-QMMMGPOBSA-N 1 0 283.332 1.086 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)C[NH+](C)C ZINC000355722582 157202914 /nfs/dbraw/zinc/20/29/14/157202914.db2.gz CLRGLLUHOPDBBR-SNVBAGLBSA-N 1 0 295.339 1.531 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H]2C[NH+](C)C[C@H]2C1 ZINC000358918571 158071786 /nfs/dbraw/zinc/07/17/86/158071786.db2.gz YMJBDJFAANCYIU-QWRGUYRKSA-N 1 0 279.344 1.117 20 5 CDBDRO CC[N@H+](C)CCNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359102750 158127561 /nfs/dbraw/zinc/12/75/61/158127561.db2.gz HEJGOKKLXRJDII-UHFFFAOYSA-N 1 0 252.318 1.970 20 5 CDBDRO CCCN(CC[NH+](CC)CC)Cc1c([N+](=O)[O-])ncn1C ZINC000359578478 158293345 /nfs/dbraw/zinc/29/33/45/158293345.db2.gz IJDATZZPSBGTQK-UHFFFAOYSA-N 1 0 297.403 1.882 20 5 CDBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])o1 ZINC000362215718 159098585 /nfs/dbraw/zinc/09/85/85/159098585.db2.gz CZBCCAGMCCRVMP-PBINXNQUSA-N 1 0 279.296 1.672 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000373051631 160168635 /nfs/dbraw/zinc/16/86/35/160168635.db2.gz KUMPTNDYOHQSCX-SMDDNHRTSA-N 1 0 289.335 1.727 20 5 CDBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000373875574 160234146 /nfs/dbraw/zinc/23/41/46/160234146.db2.gz DLNFRYJIFDKFFZ-BFHYXJOUSA-N 1 0 295.383 1.565 20 5 CDBDRO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CC[NH+]1CCCC1 ZINC000017022173 170721423 /nfs/dbraw/zinc/72/14/23/170721423.db2.gz PWLCILRINFSIHQ-UHFFFAOYSA-N 1 0 289.291 1.287 20 5 CDBDRO CNc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000022753268 171397073 /nfs/dbraw/zinc/39/70/73/171397073.db2.gz GWSAYQSDAJHLBV-UHFFFAOYSA-N 1 0 292.339 1.461 20 5 CDBDRO C[C@@H]([NH2+]CCCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285079076 196192210 /nfs/dbraw/zinc/19/22/10/196192210.db2.gz JMPPWENLIILJHN-SECBINFHSA-N 1 0 253.302 1.600 20 5 CDBDRO CN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000037669339 173611198 /nfs/dbraw/zinc/61/11/98/173611198.db2.gz YRKFUQSCHHCSHM-UHFFFAOYSA-N 1 0 281.287 1.558 20 5 CDBDRO CCC[C@](C)([NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676290 174373851 /nfs/dbraw/zinc/37/38/51/174373851.db2.gz XLWNSIQTJZCANV-AWEZNQCLSA-N 1 0 279.340 1.771 20 5 CDBDRO O=C(NCCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000043571092 175068446 /nfs/dbraw/zinc/06/84/46/175068446.db2.gz ADASDIZMRYTFJM-UHFFFAOYSA-N 1 0 281.287 1.606 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)Nc1cccc([N+](=O)[O-])c1 ZINC000044502080 175186425 /nfs/dbraw/zinc/18/64/25/175186425.db2.gz DIVVTPGEWMXPTE-SNVBAGLBSA-N 1 0 278.312 1.716 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](C[NH3+])C1 ZINC000044529419 175194080 /nfs/dbraw/zinc/19/40/80/175194080.db2.gz ZGZPOPWZJISNRI-LLVKDONJSA-N 1 0 279.340 1.774 20 5 CDBDRO COC[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000071267740 176100858 /nfs/dbraw/zinc/10/08/58/176100858.db2.gz UZLOXMADMZSPPG-CMPLNLGQSA-N 1 0 268.313 1.561 20 5 CDBDRO COC[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000071268697 176102127 /nfs/dbraw/zinc/10/21/27/176102127.db2.gz AQPCFTVDEYHOHU-JOYOIKCWSA-N 1 0 254.286 1.253 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)N(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000417840652 226636976 /nfs/dbraw/zinc/63/69/76/226636976.db2.gz FLVFLIIQUZDCPT-SNVBAGLBSA-N 1 0 280.328 1.564 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000395682037 270343657 /nfs/dbraw/zinc/34/36/57/270343657.db2.gz RWQNVLYGFNNBTI-OALRPVAKSA-N 1 0 277.324 1.722 20 5 CDBDRO CC(C)[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1C ZINC000487950354 270398391 /nfs/dbraw/zinc/39/83/91/270398391.db2.gz GRVJTRDUUKAYRW-NSHDSACASA-N 1 0 281.360 1.100 20 5 CDBDRO C[NH+]1C[C@@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000362666498 273938101 /nfs/dbraw/zinc/93/81/01/273938101.db2.gz QMFGTAFIKPHSHW-RKDXNWHRSA-N 1 0 282.731 1.641 20 5 CDBDRO [NH3+][C@@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000050244195 274958692 /nfs/dbraw/zinc/95/86/92/274958692.db2.gz WGXFOZNVDCHIOP-SECBINFHSA-N 1 0 258.281 1.680 20 5 CDBDRO Nc1ccc([N+](=O)[O-])c(N2CC[NH+](CC3CC3)CC2)c1 ZINC000192781250 274964812 /nfs/dbraw/zinc/96/48/12/274964812.db2.gz SLCZEDSSGJPGCN-UHFFFAOYSA-N 1 0 276.340 1.709 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000423672005 276382117 /nfs/dbraw/zinc/38/21/17/276382117.db2.gz DGCTVTJRHMBOSB-DTWKUNHWSA-N 1 0 281.312 1.459 20 5 CDBDRO C[NH2+]CC1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000063166315 277265358 /nfs/dbraw/zinc/26/53/58/277265358.db2.gz LUJXETYFWXBPQY-UHFFFAOYSA-N 1 0 264.329 1.734 20 5 CDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(CC[NH3+])CCO ZINC000342433624 277702492 /nfs/dbraw/zinc/70/24/92/277702492.db2.gz KGKFYOSMOAXTKG-UHFFFAOYSA-N 1 0 297.355 1.135 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000226441686 277937864 /nfs/dbraw/zinc/93/78/64/277937864.db2.gz IVFRKOPLJLAVBO-GXSJLCMTSA-N 1 0 265.313 1.777 20 5 CDBDRO C[C@H](Nc1c([N+](=O)[O-])ncn1C)[C@H]1CCC[NH2+]C1 ZINC000106402527 278285518 /nfs/dbraw/zinc/28/55/18/278285518.db2.gz MFRPMHMKOTWVDJ-IUCAKERBSA-N 1 0 253.306 1.128 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000163522629 278541488 /nfs/dbraw/zinc/54/14/88/278541488.db2.gz DFGRSCBMSQLWMC-ZYHUDNBSSA-N 1 0 277.324 1.652 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000194738101 280052588 /nfs/dbraw/zinc/05/25/88/280052588.db2.gz JVNMEVYMISSKLP-LLVKDONJSA-N 1 0 293.323 1.184 20 5 CDBDRO CCC[NH2+]CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000211574372 280086697 /nfs/dbraw/zinc/08/66/97/280086697.db2.gz MGSVDYJPMZORAA-FPLPWBNLSA-N 1 0 277.324 1.724 20 5 CDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCC1CC[NH2+]CC1 ZINC000217468587 280088830 /nfs/dbraw/zinc/08/88/30/280088830.db2.gz UUMOGYLUWWGZSN-PLNGDYQASA-N 1 0 289.335 1.724 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000217596740 280089235 /nfs/dbraw/zinc/08/92/35/280089235.db2.gz RZBOLIJYXMRRLC-PIZKADEWSA-N 1 0 289.335 1.948 20 5 CDBDRO CC(C)([NH3+])CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000236621732 280131495 /nfs/dbraw/zinc/13/14/95/280131495.db2.gz YIMHAOKCGKXQBN-GQCTYLIASA-N 1 0 281.287 1.601 20 5 CDBDRO CCOc1ccc(C(=O)N2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000236902729 280145840 /nfs/dbraw/zinc/14/58/40/280145840.db2.gz XERGSQZYHIXCLB-JTQLQIEISA-N 1 0 279.296 1.167 20 5 CDBDRO COc1ccc(C[N@H+](C[C@H](C)O)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000248953373 280397450 /nfs/dbraw/zinc/39/74/50/280397450.db2.gz PXINUFKIZOIJMZ-MNOVXSKESA-N 1 0 298.339 1.167 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000415492426 280662299 /nfs/dbraw/zinc/66/22/99/280662299.db2.gz BYVFDOBGTQXJNY-VIFPVBQESA-N 1 0 266.301 1.714 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261766661 281008011 /nfs/dbraw/zinc/00/80/11/281008011.db2.gz VMXBKOYQLCEOOF-RYUDHWBXSA-N 1 0 289.335 1.585 20 5 CDBDRO C[NH+](C)C/C=C\C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000491843634 282022260 /nfs/dbraw/zinc/02/22/60/282022260.db2.gz GWWJTRFHODPOQU-ARJAWSKDSA-N 1 0 277.324 1.371 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000554137313 290146745 /nfs/dbraw/zinc/14/67/45/290146745.db2.gz YHCCZQIPGNPCRR-QMMMGPOBSA-N 1 0 295.295 1.003 20 5 CDBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000555210231 290207788 /nfs/dbraw/zinc/20/77/88/290207788.db2.gz FSPXTWLLIFPSFR-VIFPVBQESA-N 1 0 283.332 1.168 20 5 CDBDRO CC[C@@H](O)CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000563140908 293287543 /nfs/dbraw/zinc/28/75/43/293287543.db2.gz GSRDBYFNKRXYFX-NEPJUHHUSA-N 1 0 298.339 1.085 20 5 CDBDRO C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000564728680 293402830 /nfs/dbraw/zinc/40/28/30/293402830.db2.gz OTVSJWCASVQJRA-INTQDDNPSA-N 1 0 263.297 1.509 20 5 CDBDRO CC[C@H](CCO)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567876925 293896293 /nfs/dbraw/zinc/89/62/93/293896293.db2.gz CDTQAMNTVNSDIS-VXGBXAGGSA-N 1 0 298.339 1.085 20 5 CDBDRO CC[C@@H](O)CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000571209309 294389681 /nfs/dbraw/zinc/38/96/81/294389681.db2.gz QWPIDAJWSITUGQ-CHWSQXEVSA-N 1 0 298.339 1.085 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000044540928 295265571 /nfs/dbraw/zinc/26/55/71/295265571.db2.gz IKFZJWHNUWFAIF-GFCCVEGCSA-N 1 0 263.297 1.548 20 5 CDBDRO Nc1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000377120474 295353819 /nfs/dbraw/zinc/35/38/19/295353819.db2.gz OOEPSOSMBPQGAI-GFCCVEGCSA-N 1 0 276.340 1.852 20 5 CDBDRO CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000567029576 316723871 /nfs/dbraw/zinc/72/38/71/316723871.db2.gz YEXWWJUQOJNTKW-SNVBAGLBSA-N 1 0 282.275 1.560 20 5 CDBDRO CNc1ccc(C(=O)N[C@@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000576702224 317190528 /nfs/dbraw/zinc/19/05/28/317190528.db2.gz VJKTZUJABUVUJE-VIFPVBQESA-N 1 0 280.328 1.494 20 5 CDBDRO Cc1c(CNC(=O)N(C)CCC[NH3+])cccc1[N+](=O)[O-] ZINC000577085597 317263988 /nfs/dbraw/zinc/26/39/88/317263988.db2.gz HBAPRPBQCPGWFV-UHFFFAOYSA-N 1 0 280.328 1.393 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000577370064 317316022 /nfs/dbraw/zinc/31/60/22/317316022.db2.gz UUQDLCKDAQTKSQ-CABZTGNLSA-N 1 0 293.323 1.218 20 5 CDBDRO CCC1(CC)[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C[C@@H]1OC ZINC000182037056 323259280 /nfs/dbraw/zinc/25/92/80/323259280.db2.gz ZGAHNTZUBWDCCO-OLZOCXBDSA-N 1 0 296.371 1.975 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000382451795 323641471 /nfs/dbraw/zinc/64/14/71/323641471.db2.gz FYWVNXKUTYEJBZ-VHSXEESVSA-N 1 0 278.312 1.986 20 5 CDBDRO C[C@@H](Nc1c([N+](=O)[O-])cnn1C)C(C)(C)C[NH+](C)C ZINC001120025599 1161926418 /nfs/dbraw/zinc/92/64/18/1161926418.db2.gz FMPQGOVAFKHWQD-SECBINFHSA-N 1 0 269.349 1.717 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(Cc3ccco3)CC2)C1 ZINC001169029702 1161997686 /nfs/dbraw/zinc/99/76/86/1161997686.db2.gz VGSHSDMUYAWCIX-UONOGXRCSA-N 1 0 293.367 1.843 20 5 CDBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)ccc1O ZINC001168967398 1161996240 /nfs/dbraw/zinc/99/62/40/1161996240.db2.gz PPCQZKSRJOEANX-VXGBXAGGSA-N 1 0 280.324 1.936 20 5 CDBDRO C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000153174602 534305926 /nfs/dbraw/zinc/30/59/26/534305926.db2.gz FZKDBLMQTHQXIF-PHIMTYICSA-N 1 0 293.323 1.182 20 5 CDBDRO CC(C)(C)[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000109330125 518928311 /nfs/dbraw/zinc/92/83/11/518928311.db2.gz DEHIWAIZNQZOKZ-LBPRGKRZSA-N 1 0 295.339 1.463 20 5 CDBDRO CC[N@H+](CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000071969738 521120065 /nfs/dbraw/zinc/12/00/65/521120065.db2.gz IZBWQDHVGBYEKC-UHFFFAOYSA-N 1 0 254.286 1.288 20 5 CDBDRO C[NH2+]CCCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943247 521989523 /nfs/dbraw/zinc/98/95/23/521989523.db2.gz SRPCKOLAMUSQPN-UHFFFAOYSA-N 1 0 251.286 1.211 20 5 CDBDRO C[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000050709804 523763842 /nfs/dbraw/zinc/76/38/42/523763842.db2.gz KUTVRSKGPAWCOW-UHFFFAOYSA-N 1 0 292.339 1.249 20 5 CDBDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668573 523993629 /nfs/dbraw/zinc/99/36/29/523993629.db2.gz CQDJVYVKJPUIGX-QWRGUYRKSA-N 1 0 279.340 1.988 20 5 CDBDRO COc1ccc(C[NH2+][C@@H](C)Cn2cccn2)cc1[N+](=O)[O-] ZINC000049076296 524074471 /nfs/dbraw/zinc/07/44/71/524074471.db2.gz ZLPWAWVMSILRJD-NSHDSACASA-N 1 0 290.323 1.978 20 5 CDBDRO C[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000164215562 524087221 /nfs/dbraw/zinc/08/72/21/524087221.db2.gz JKWRMFOAUHUXAN-SNVBAGLBSA-N 1 0 277.324 1.409 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000070172538 525022866 /nfs/dbraw/zinc/02/28/66/525022866.db2.gz WAIGWQVNUIVJHC-ZJUUUORDSA-N 1 0 295.314 1.933 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000188447920 525447059 /nfs/dbraw/zinc/44/70/59/525447059.db2.gz CEPCHERUMSVPTQ-SECBINFHSA-N 1 0 279.296 1.037 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000183246098 525562956 /nfs/dbraw/zinc/56/29/56/525562956.db2.gz HKBITWAKEHHEAV-AWEZNQCLSA-N 1 0 291.351 1.956 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC(=O)NC2)cc1[N+](=O)[O-] ZINC000111018288 525749851 /nfs/dbraw/zinc/74/98/51/525749851.db2.gz HDNWORNYPLTISM-PWSUYJOCSA-N 1 0 277.324 1.832 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+]CCN2CCOCC2)cc1[N+](=O)[O-] ZINC000020091489 525920667 /nfs/dbraw/zinc/92/06/67/525920667.db2.gz RVXPWNGXJVJGMQ-ZDUSSCGKSA-N 1 0 293.367 1.886 20 5 CDBDRO O=C(NCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1F ZINC000049575377 526307168 /nfs/dbraw/zinc/30/71/68/526307168.db2.gz TVHMHEXJAPNCFF-UHFFFAOYSA-N 1 0 295.314 1.950 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000414662322 536451273 /nfs/dbraw/zinc/45/12/73/536451273.db2.gz QZZKSHDFHFXDTF-SECBINFHSA-N 1 0 280.328 1.880 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261868934 526779035 /nfs/dbraw/zinc/77/90/35/526779035.db2.gz YTFHHBJZLIFHMK-AWEZNQCLSA-N 1 0 275.308 1.420 20 5 CDBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000070170034 527194278 /nfs/dbraw/zinc/19/42/78/527194278.db2.gz OSCIZHGLRLKSIR-SECBINFHSA-N 1 0 266.301 1.124 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000045749157 527400936 /nfs/dbraw/zinc/40/09/36/527400936.db2.gz HXEQXKXSFAKPTM-UHFFFAOYSA-N 1 0 278.308 1.934 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000365806448 527488736 /nfs/dbraw/zinc/48/87/36/527488736.db2.gz RGQACMZAQXICPH-LBPRGKRZSA-N 1 0 293.371 1.389 20 5 CDBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)C(C)C ZINC000304287929 528671755 /nfs/dbraw/zinc/67/17/55/528671755.db2.gz BDRZBCSOXHMTKT-WCQYABFASA-N 1 0 284.360 1.519 20 5 CDBDRO CC(C)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000304324420 528932522 /nfs/dbraw/zinc/93/25/22/528932522.db2.gz RUTOHSZRHSFUCS-CQSZACIVSA-N 1 0 296.371 1.805 20 5 CDBDRO CC[C@](C)([NH2+]Cc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000177140360 529371760 /nfs/dbraw/zinc/37/17/60/529371760.db2.gz HTWVREJMGMCSMF-LBPRGKRZSA-N 1 0 251.286 1.338 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000262502594 535066508 /nfs/dbraw/zinc/06/65/08/535066508.db2.gz HWWYGRNXMKSWPT-UHFFFAOYSA-N 1 0 285.731 1.644 20 5 CDBDRO CC[NH2+]CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000262528304 535465538 /nfs/dbraw/zinc/46/55/38/535465538.db2.gz CYYLBADCRDAPSA-UHFFFAOYSA-N 1 0 281.312 1.089 20 5 CDBDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000236971741 535654044 /nfs/dbraw/zinc/65/40/44/535654044.db2.gz CLNLDRTZQCUDJF-ZWNOBZJWSA-N 1 0 294.355 1.496 20 5 CDBDRO CN(CC[NH+](C)C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000269366159 535854812 /nfs/dbraw/zinc/85/48/12/535854812.db2.gz KPNAQJQYUVNTMX-UHFFFAOYSA-N 1 0 258.709 1.641 20 5 CDBDRO COc1ccc(C(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262842797 536725993 /nfs/dbraw/zinc/72/59/93/536725993.db2.gz XPABOMLDOZRYQJ-NXEZZACHSA-N 1 0 293.323 1.426 20 5 CDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000744799749 574450749 /nfs/dbraw/zinc/45/07/49/574450749.db2.gz QIMUUHLAKIHBJQ-SNVBAGLBSA-N 1 0 295.314 1.806 20 5 CDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)OCC[NH+]1CCCCC1 ZINC000770409071 575446714 /nfs/dbraw/zinc/44/67/14/575446714.db2.gz WBWIOPSXRUUFIJ-UHFFFAOYSA-N 1 0 294.311 1.215 20 5 CDBDRO CC[NH+](CC)CCOC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000772041954 575653245 /nfs/dbraw/zinc/65/32/45/575653245.db2.gz NPZUHJTYWQMPRO-UHFFFAOYSA-N 1 0 295.339 1.892 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC000773990264 575847184 /nfs/dbraw/zinc/84/71/84/575847184.db2.gz ALNZEALGZCMAAS-GFCCVEGCSA-N 1 0 289.335 1.744 20 5 CDBDRO C[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000766184448 576084294 /nfs/dbraw/zinc/08/42/94/576084294.db2.gz PIPQNKCOZMHWRC-YGRLFVJLSA-N 1 0 290.323 1.713 20 5 CDBDRO C[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000761104820 576548981 /nfs/dbraw/zinc/54/89/81/576548981.db2.gz IFVVLRBACUTQTN-JIMOISOXSA-N 1 0 266.297 1.083 20 5 CDBDRO COc1ccc(C[NH2+]C2COC(C)(C)OC2)cc1[N+](=O)[O-] ZINC000758012514 577067521 /nfs/dbraw/zinc/06/75/21/577067521.db2.gz RNISIBLVERILEJ-UHFFFAOYSA-N 1 0 296.323 1.845 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNc1c([N+](=O)[O-])cnn1C ZINC000891458751 617419226 /nfs/dbraw/zinc/41/92/26/617419226.db2.gz DNJVVUIWDKLTHI-VIFPVBQESA-N 1 0 253.306 1.225 20 5 CDBDRO C[NH+]1CCC(Nc2ccc3nonc3c2[N+](=O)[O-])CC1 ZINC000891573144 617484024 /nfs/dbraw/zinc/48/40/24/617484024.db2.gz MAGRUNVYDWECQX-UHFFFAOYSA-N 1 0 277.284 1.637 20 5 CDBDRO Cn1c(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000892793507 617754373 /nfs/dbraw/zinc/75/43/73/617754373.db2.gz NLMIZZMLZOBLQT-CQSZACIVSA-N 1 0 292.339 1.147 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]1CO ZINC000934021903 617860806 /nfs/dbraw/zinc/86/08/06/617860806.db2.gz SCOITXDOBRBDED-LBPRGKRZSA-N 1 0 293.323 1.298 20 5 CDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822673553 618554194 /nfs/dbraw/zinc/55/41/94/618554194.db2.gz TWQLTRFNVVUCJE-NSHDSACASA-N 1 0 271.361 1.280 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NCC[C@H]1CCC[N@H+](C)C1 ZINC000894168165 618648418 /nfs/dbraw/zinc/64/84/18/618648418.db2.gz UNACGJQTKNZJSQ-SNVBAGLBSA-N 1 0 267.333 1.472 20 5 CDBDRO CCC[C@H]1CN(c2c([N+](=O)[O-])nc(C)n2CC)CC[NH2+]1 ZINC000895058894 619243002 /nfs/dbraw/zinc/24/30/02/619243002.db2.gz PFBDPVVLBLFZCD-NSHDSACASA-N 1 0 281.360 1.698 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000899859480 622486916 /nfs/dbraw/zinc/48/69/16/622486916.db2.gz KRSGDKIREUGSRN-NSHDSACASA-N 1 0 253.302 1.283 20 5 CDBDRO CCOc1ccc(C[NH2+]CC[N+](=O)[O-])cc1OC ZINC000899872155 622497865 /nfs/dbraw/zinc/49/78/65/622497865.db2.gz YEBOJNCEYVKGDY-UHFFFAOYSA-N 1 0 254.286 1.460 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)c2c1 ZINC000900428666 623042316 /nfs/dbraw/zinc/04/23/16/623042316.db2.gz UHQRSJFWHLWOKB-OXHMUOHRSA-N 1 0 285.307 1.843 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000905036328 626378009 /nfs/dbraw/zinc/37/80/09/626378009.db2.gz RJIDRRVOBQXMHI-AWEZNQCLSA-N 1 0 263.341 1.517 20 5 CDBDRO O=[N+]([O-])CCNC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000905244675 626701492 /nfs/dbraw/zinc/70/14/92/626701492.db2.gz RNFAGQLLOCPSPC-CYBMUJFWSA-N 1 0 255.362 1.650 20 5 CDBDRO CC(C)[NH+]1CCN(c2cccc(NCC[N+](=O)[O-])c2)CC1 ZINC000905328378 626753921 /nfs/dbraw/zinc/75/39/21/626753921.db2.gz GKFUEDKXAPWYJM-UHFFFAOYSA-N 1 0 292.383 1.906 20 5 CDBDRO C[C@H]([NH2+][C@H]1COC[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000905864794 627008028 /nfs/dbraw/zinc/00/80/28/627008028.db2.gz GGSIDADHJIZQTG-KWBADKCTSA-N 1 0 293.323 1.546 20 5 CDBDRO O=[N+]([O-])c1ccnn1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000153464564 631644829 /nfs/dbraw/zinc/64/48/29/631644829.db2.gz DZNIOIODYNNXGJ-ZDUSSCGKSA-N 1 0 293.371 1.699 20 5 CDBDRO CC[C@H](CO)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000915875573 631848986 /nfs/dbraw/zinc/84/89/86/631848986.db2.gz RZXKXRVUEVHWGV-NXEZZACHSA-N 1 0 281.312 1.282 20 5 CDBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170340005 1162346732 /nfs/dbraw/zinc/34/67/32/1162346732.db2.gz CGAZVPQIYJDPDB-VXGBXAGGSA-N 1 0 294.351 1.849 20 5 CDBDRO COc1c(F)cc(NCCN(C)CC[NH3+])cc1[N+](=O)[O-] ZINC001170502857 1162662029 /nfs/dbraw/zinc/66/20/29/1162662029.db2.gz QZWWWLHPJWIWJQ-UHFFFAOYSA-N 1 0 286.307 1.045 20 5 CDBDRO Cc1cccc(NCCOCCOCC[NH3+])c1[N+](=O)[O-] ZINC001170506925 1162672287 /nfs/dbraw/zinc/67/22/87/1162672287.db2.gz FKMBQUKLABBFAG-UHFFFAOYSA-N 1 0 283.328 1.307 20 5 CDBDRO COc1cccc(NCCOCCOCC[NH3+])c1[N+](=O)[O-] ZINC001170511465 1162698859 /nfs/dbraw/zinc/69/88/59/1162698859.db2.gz VLLQUHHPNHJRJJ-UHFFFAOYSA-N 1 0 299.327 1.007 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H]2C[NH2+]CCO2)n1 ZINC001170569476 1162948582 /nfs/dbraw/zinc/94/85/82/1162948582.db2.gz SIKMFRSVZIAACH-ONGXEEELSA-N 1 0 266.301 1.087 20 5 CDBDRO Cc1cccc(-n2c(C)ncc(C[NH3+])c2=N)c1[N+](=O)[O-] ZINC001167673554 1159271638 /nfs/dbraw/zinc/27/16/38/1159271638.db2.gz BQGNOVBDMGJIIP-UHFFFAOYSA-N 1 0 273.296 1.336 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](O)CC(F)(F)F ZINC000307937028 1160232779 /nfs/dbraw/zinc/23/27/79/1160232779.db2.gz HIRGVWHBPUAYQV-SECBINFHSA-N 1 0 278.230 1.998 20 5 CDBDRO COC(=O)c1ccc(C[NH3+])n1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168999016 1161996679 /nfs/dbraw/zinc/99/66/79/1161996679.db2.gz QZSAAIFBALEWQR-ZJUUUORDSA-N 1 0 281.312 1.351 20 5 CDBDRO CCC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168998180 1161996830 /nfs/dbraw/zinc/99/68/30/1161996830.db2.gz JGJNJKIZZCFQAO-SYQHCUMBSA-N 1 0 297.399 1.859 20 5 CDBDRO C[NH+]1CC2(CN(c3ncnc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC001158864684 1163742363 /nfs/dbraw/zinc/74/23/63/1163742363.db2.gz YHVDIWBJMXGDQQ-UHFFFAOYSA-N 1 0 285.307 1.290 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@](C)([NH3+])C2)c1 ZINC000868074957 1164906910 /nfs/dbraw/zinc/90/69/10/1164906910.db2.gz UQYDOXMXYGNEGW-ZDUSSCGKSA-N 1 0 279.296 1.167 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)nc(N[C@@H]2COCCC23C[NH2+]C3)c1 ZINC001155461111 1167178541 /nfs/dbraw/zinc/17/85/41/1167178541.db2.gz APKPXKBLXRDVHG-SECBINFHSA-N 1 0 298.730 1.434 20 5 CDBDRO CCNc1ccc(C(=O)NC[C@H]2CC[NH2+]2)cc1[N+](=O)[O-] ZINC001577902551 1171763158 /nfs/dbraw/zinc/76/31/58/1171763158.db2.gz SLTMZBGSKAHCRD-SNVBAGLBSA-N 1 0 278.312 1.118 20 5 CDBDRO [NH3+][C@@H](CC1CC1)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001580122546 1172354484 /nfs/dbraw/zinc/35/44/84/1172354484.db2.gz WCHJOSNZBYJZMJ-NSHDSACASA-N 1 0 292.339 1.250 20 5 CDBDRO [NH3+][C@@H](CNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C1CC1 ZINC001580130259 1172355983 /nfs/dbraw/zinc/35/59/83/1172355983.db2.gz OTLRHLRJJCBJJO-JTQLQIEISA-N 1 0 282.275 1.593 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH2+]CCC12CCC2 ZINC001580825514 1172549637 /nfs/dbraw/zinc/54/96/37/1172549637.db2.gz TVYFHTPPBBLUQB-UHFFFAOYSA-N 1 0 289.335 1.953 20 5 CDBDRO CCN(c1ccc([N+](=O)[O-])c(C)n1)[C@@H]1CCC[NH2+]C1 ZINC000124123476 1175296460 /nfs/dbraw/zinc/29/64/60/1175296460.db2.gz MEOLICSAPCOHLW-LLVKDONJSA-N 1 0 264.329 1.877 20 5 CDBDRO CCN(C(=O)c1cc(C)cc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000137110237 1175896666 /nfs/dbraw/zinc/89/66/66/1175896666.db2.gz KXWMEOAOHIECMP-LBPRGKRZSA-N 1 0 277.324 1.727 20 5 CDBDRO CC(C)C(C)(C)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000232706628 1178197041 /nfs/dbraw/zinc/19/70/41/1178197041.db2.gz MBYKFIANLGWDQU-LBPRGKRZSA-N 1 0 284.360 1.424 20 5 CDBDRO CC(C)[C@H](CN(C)C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158631613 1178226971 /nfs/dbraw/zinc/22/69/71/1178226971.db2.gz JNVPGQAUNIEHOX-GJZGRUSLSA-N 1 0 295.383 1.804 20 5 CDBDRO C[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000235448797 1178238778 /nfs/dbraw/zinc/23/87/78/1178238778.db2.gz PETHEUYXHGXBIO-VXNVDRBHSA-N 1 0 296.249 1.083 20 5 CDBDRO CSc1ccc(C(=O)NCCCC[NH3+])cc1[N+](=O)[O-] ZINC000237436246 1178687525 /nfs/dbraw/zinc/68/75/25/1178687525.db2.gz QJEXPRKPKPWJMP-UHFFFAOYSA-N 1 0 283.353 1.785 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[NH+]3CCC2CC3)n1 ZINC000162592193 1180177194 /nfs/dbraw/zinc/17/71/94/1180177194.db2.gz XZURCHCTEBEUAQ-LLVKDONJSA-N 1 0 262.313 1.804 20 5 CDBDRO COc1cc(CO[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000164184716 1180626718 /nfs/dbraw/zinc/62/67/18/1180626718.db2.gz PWOUKYUZGVSQEP-NSHDSACASA-N 1 0 252.270 1.482 20 5 CDBDRO [NH3+][C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000404475849 1186520021 /nfs/dbraw/zinc/52/00/21/1186520021.db2.gz GVJRHUIGINHQAN-VXGBXAGGSA-N 1 0 275.308 1.595 20 5 CDBDRO Cc1cccc(C(=O)NCCC(C)(C)[NH3+])c1[N+](=O)[O-] ZINC000405892735 1186580031 /nfs/dbraw/zinc/58/00/31/1186580031.db2.gz NMGDTKDAUNWHBZ-UHFFFAOYSA-N 1 0 265.313 1.760 20 5 CDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1(CF)CC1 ZINC001133631767 1163823053 /nfs/dbraw/zinc/82/30/53/1163823053.db2.gz FJFAQIOOVPRXMR-UHFFFAOYSA-N 1 0 295.314 1.550 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC001164629417 719153719 /nfs/dbraw/zinc/15/37/19/719153719.db2.gz ASMNMVPDCMYWHE-QWRGUYRKSA-N 1 0 264.329 1.827 20 5 CDBDRO C[NH2+]C1(CNc2c([N+](=O)[O-])c(C)nn2C)CCCCC1 ZINC000872629291 754650108 /nfs/dbraw/zinc/65/01/08/754650108.db2.gz DXMMKUIUQNBNSI-UHFFFAOYSA-N 1 0 281.360 1.971 20 5 CDBDRO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886147004 753862731 /nfs/dbraw/zinc/86/27/31/753862731.db2.gz HLENJUXFHFEODW-SMDDNHRTSA-N 1 0 279.340 1.973 20 5 CDBDRO CC[C@@H](COC)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819089204 754000054 /nfs/dbraw/zinc/00/00/54/754000054.db2.gz HSVXLVIXLCKGFN-WCQYABFASA-N 1 0 268.313 1.643 20 5 CDBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000128517139 754058586 /nfs/dbraw/zinc/05/85/86/754058586.db2.gz XAYLYMCHHCMGRF-RYUDHWBXSA-N 1 0 295.295 1.752 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886841511 754114110 /nfs/dbraw/zinc/11/41/10/754114110.db2.gz NJGVHCUKKUQJGC-GXSJLCMTSA-N 1 0 250.302 1.301 20 5 CDBDRO CC[C@@H](CO)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000857329526 754148297 /nfs/dbraw/zinc/14/82/97/754148297.db2.gz LWPPUGLEQLJXAL-QWRGUYRKSA-N 1 0 295.339 1.591 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776598400 754219130 /nfs/dbraw/zinc/21/91/30/754219130.db2.gz MXVWSTMKXFCWFH-JMSVASOKSA-N 1 0 293.367 1.653 20 5 CDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])OCC[NH+]1CCC1 ZINC000861386249 754274956 /nfs/dbraw/zinc/27/49/56/754274956.db2.gz QSRRQTDHNIMSMQ-UHFFFAOYSA-N 1 0 293.323 1.646 20 5 CDBDRO C[C@@H](CCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[NH+](C)C ZINC000823921013 754296176 /nfs/dbraw/zinc/29/61/76/754296176.db2.gz LDISCMOFNNTDQG-VIFPVBQESA-N 1 0 295.343 1.639 20 5 CDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000827739919 754350585 /nfs/dbraw/zinc/35/05/85/754350585.db2.gz SZULRCQSSUQYHJ-GHMZBOCLSA-N 1 0 271.361 1.373 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CC[C@H](O)C2)c1 ZINC000843092974 754356441 /nfs/dbraw/zinc/35/64/41/754356441.db2.gz OWRSUXCSIAWQFR-LEWSCRJBSA-N 1 0 280.324 1.379 20 5 CDBDRO [NH3+][C@H]1CC[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000322646866 754371476 /nfs/dbraw/zinc/37/14/76/754371476.db2.gz MBPYNCSLTSCVEJ-MGCOHNPYSA-N 1 0 281.287 1.734 20 5 CDBDRO C[C@@H](NCC1([NH3+])CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817964784 754426846 /nfs/dbraw/zinc/42/68/46/754426846.db2.gz INIINMURRMVZRW-SECBINFHSA-N 1 0 264.329 1.709 20 5 CDBDRO C[C@@]12CC[N@H+](CC[N+](=O)[O-])C[C@@H]1C2(Cl)Cl ZINC000930366154 754445091 /nfs/dbraw/zinc/44/50/91/754445091.db2.gz FEYWVEPFEJRPGB-JGVFFNPUSA-N 1 0 253.129 1.779 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(O)(CO)CC1 ZINC000877628664 754499372 /nfs/dbraw/zinc/49/93/72/754499372.db2.gz LQQKYGXGHPNPOQ-UHFFFAOYSA-N 1 0 294.351 1.531 20 5 CDBDRO Cn1c(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000089106376 754590240 /nfs/dbraw/zinc/59/02/40/754590240.db2.gz SQSXEUDYEDLDFO-UWVGGRQHSA-N 1 0 280.328 1.181 20 5 CDBDRO C[N@@H+]1CC[C@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000928555554 754596634 /nfs/dbraw/zinc/59/66/34/754596634.db2.gz UCJRGFPVHVEZLV-NSHDSACASA-N 1 0 281.287 1.097 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[NH2+]C1(CO)CCCC1 ZINC000886076845 754671345 /nfs/dbraw/zinc/67/13/45/754671345.db2.gz SRYZNXVJGXGEKD-UHFFFAOYSA-N 1 0 251.286 1.385 20 5 CDBDRO CC[NH+](CC)CCOC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838286344 754709465 /nfs/dbraw/zinc/70/94/65/754709465.db2.gz RIXIIZZZOLCZEI-ZDUSSCGKSA-N 1 0 296.323 1.513 20 5 CDBDRO COc1ccc(OCCN(C)C[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000863570527 754710707 /nfs/dbraw/zinc/71/07/07/754710707.db2.gz XXQREQHHWSSQMK-SNVBAGLBSA-N 1 0 283.328 1.261 20 5 CDBDRO Cn1cc(C[NH2+]CC2(C3(O)CCC3)CCC2)c([N+](=O)[O-])n1 ZINC000886982514 754711146 /nfs/dbraw/zinc/71/11/46/754711146.db2.gz RMKSUFGEAUJSFI-UHFFFAOYSA-N 1 0 294.355 1.503 20 5 CDBDRO C[NH2+]CCN(C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841011095 754763235 /nfs/dbraw/zinc/76/32/35/754763235.db2.gz KYZZWNPWPDNTOQ-UHFFFAOYSA-N 1 0 286.719 1.931 20 5 CDBDRO CN(Cc1cc(F)ccc1[N+](=O)[O-])[C@H](C[NH3+])C1CC1 ZINC000160132477 754811407 /nfs/dbraw/zinc/81/14/07/754811407.db2.gz SIXBTWXSGYGVMV-CYBMUJFWSA-N 1 0 267.304 1.903 20 5 CDBDRO Cc1cnc(N2CC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000261609233 754836902 /nfs/dbraw/zinc/83/69/02/754836902.db2.gz SCIGWNVSVWORRW-CYBMUJFWSA-N 1 0 262.313 1.488 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](O)C[NH+](C)C)c1 ZINC000717382698 754842661 /nfs/dbraw/zinc/84/26/61/754842661.db2.gz CMMWLPWBNSWUFS-SNVBAGLBSA-N 1 0 253.302 1.238 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923282004 754886604 /nfs/dbraw/zinc/88/66/04/754886604.db2.gz SQPXHLNLDDVGRT-ZIAGYGMSSA-N 1 0 279.340 1.441 20 5 CDBDRO CCCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000923287988 754895516 /nfs/dbraw/zinc/89/55/16/754895516.db2.gz WSGFUKHWBIPYEI-CABCVRRESA-N 1 0 293.367 1.702 20 5 CDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CCC2CC2)CC1 ZINC001005383992 754945476 /nfs/dbraw/zinc/94/54/76/754945476.db2.gz XMYJZOUYENTGTK-ZIAGYGMSSA-N 1 0 295.383 1.375 20 5 CDBDRO CC(C)(CCC(=O)N1CC[NH+](C2CCCC2)CC1)[N+](=O)[O-] ZINC000822406879 755099104 /nfs/dbraw/zinc/09/91/04/755099104.db2.gz RLIVXAZMGPGTQP-UHFFFAOYSA-N 1 0 297.399 1.909 20 5 CDBDRO COC[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582755 755201202 /nfs/dbraw/zinc/20/12/02/755201202.db2.gz BPFORVJJVABCBI-RISCZKNCSA-N 1 0 280.324 1.597 20 5 CDBDRO C[C@]1(c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)CC[NH2+]C1 ZINC000843169438 755212786 /nfs/dbraw/zinc/21/27/86/755212786.db2.gz ILLAEQYAEWVMMQ-ZDUSSCGKSA-N 1 0 289.295 1.478 20 5 CDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826869869 755215009 /nfs/dbraw/zinc/21/50/09/755215009.db2.gz BEKIAODJWIZDSH-JQWIXIFHSA-N 1 0 283.372 1.421 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CCC3(C2)OCCO3)cc1 ZINC000104080578 755266865 /nfs/dbraw/zinc/26/68/65/755266865.db2.gz HALUGXWQLICELF-UHFFFAOYSA-N 1 0 264.281 1.544 20 5 CDBDRO Cc1ccc(Cn2cc(CC[NH+](C)C)nn2)cc1[N+](=O)[O-] ZINC000881212762 755294602 /nfs/dbraw/zinc/29/46/02/755294602.db2.gz UOFNCTKAORVDCD-UHFFFAOYSA-N 1 0 289.339 1.647 20 5 CDBDRO O=[N+]([O-])CC[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000930530134 755613628 /nfs/dbraw/zinc/61/36/28/755613628.db2.gz NFPYADYSPJSIQE-OAHLLOKOSA-N 1 0 278.352 1.580 20 5 CDBDRO COc1cc(C[NH2+][C@H]2C[C@H](CO)C2)c([N+](=O)[O-])cc1OC ZINC000923008262 755646341 /nfs/dbraw/zinc/64/63/41/755646341.db2.gz RLHFPXBIKFSFLN-HOMQSWHASA-N 1 0 296.323 1.473 20 5 CDBDRO COCC(C)(C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178859939 755648976 /nfs/dbraw/zinc/64/89/76/755648976.db2.gz KGDRUCQPYGFKLS-LBPRGKRZSA-N 1 0 268.313 1.643 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000810840520 755668093 /nfs/dbraw/zinc/66/80/93/755668093.db2.gz HIMRDYIXDAVNTL-ZYHUDNBSSA-N 1 0 293.323 1.717 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923285196 755699767 /nfs/dbraw/zinc/69/97/67/755699767.db2.gz AJJDYFHMDQDKDY-RISCZKNCSA-N 1 0 279.340 1.170 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872320687 755741010 /nfs/dbraw/zinc/74/10/10/755741010.db2.gz IDSCCASKCLNTOP-PHIMTYICSA-N 1 0 266.272 1.812 20 5 CDBDRO C[C@H](CCO)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134757961 755865421 /nfs/dbraw/zinc/86/54/21/755865421.db2.gz CBFFKRSKTBIQCH-MFKMUULPSA-N 1 0 268.313 1.236 20 5 CDBDRO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858580849 755913474 /nfs/dbraw/zinc/91/34/74/755913474.db2.gz YEWHFJZVDNRTKM-BDAKNGLRSA-N 1 0 296.327 1.236 20 5 CDBDRO CC(C)(c1nc(CC[NH3+])no1)c1ccc([N+](=O)[O-])cc1 ZINC000843130968 755937783 /nfs/dbraw/zinc/93/77/83/755937783.db2.gz CYCBIWVDKOEDNA-UHFFFAOYSA-N 1 0 276.296 1.805 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](CO)C[C@H]2CCCO2)c1 ZINC000886232246 755999867 /nfs/dbraw/zinc/99/98/67/755999867.db2.gz STAISZFXWOFUNR-GXTWGEPZSA-N 1 0 280.324 1.614 20 5 CDBDRO C[N@@H+]1CC[C@]2(CCN(Cc3cccnc3[N+](=O)[O-])C2)C1 ZINC000886215175 756042970 /nfs/dbraw/zinc/04/29/70/756042970.db2.gz FMXPKMPJNCMVHZ-AWEZNQCLSA-N 1 0 276.340 1.517 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000128952887 756094001 /nfs/dbraw/zinc/09/40/01/756094001.db2.gz IMDWJEYHHPMXRY-JTQLQIEISA-N 1 0 264.285 1.420 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000885981747 756246573 /nfs/dbraw/zinc/24/65/73/756246573.db2.gz MIZFOLUWMXKFOF-GFCCVEGCSA-N 1 0 264.329 1.516 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)C[C@@H]2CCCO2)cc1 ZINC000886231923 756258347 /nfs/dbraw/zinc/25/83/47/756258347.db2.gz NFRMTAJISKDEKG-JSGCOSHPSA-N 1 0 280.324 1.614 20 5 CDBDRO CC(C)(CCc1noc([C@H]2C[C@]23CC[NH2+]C3)n1)[N+](=O)[O-] ZINC000823234885 756350168 /nfs/dbraw/zinc/35/01/68/756350168.db2.gz LWACEKFPQAIUBJ-RNCFNFMXSA-N 1 0 280.328 1.525 20 5 CDBDRO C[N@H+](CCO)CCNc1cccc(F)c1[N+](=O)[O-] ZINC000884824433 756435811 /nfs/dbraw/zinc/43/58/11/756435811.db2.gz ZLFCCULNNJCNFA-UHFFFAOYSA-N 1 0 257.265 1.070 20 5 CDBDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]CC[N+](=O)[O-])C(C)(C)C ZINC000930314687 756551700 /nfs/dbraw/zinc/55/17/00/756551700.db2.gz GTBHWNCFXNYLDP-JTQLQIEISA-N 1 0 289.376 1.792 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c1C ZINC000884254179 756662660 /nfs/dbraw/zinc/66/26/60/756662660.db2.gz GLQICHMOXXMVOR-JQWIXIFHSA-N 1 0 291.351 1.939 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CC[C@@H](O)C2)cc1 ZINC000227686216 756708546 /nfs/dbraw/zinc/70/85/46/756708546.db2.gz NQDGBXHDFTWEQM-ZLKJLUDKSA-N 1 0 280.324 1.379 20 5 CDBDRO C[NH2+]C1(CNC(=O)CCC(C)(C)[N+](=O)[O-])CCC1 ZINC000863921955 756775904 /nfs/dbraw/zinc/77/59/04/756775904.db2.gz KHMBZDPNZIXMGG-UHFFFAOYSA-N 1 0 257.334 1.080 20 5 CDBDRO CC[N@@H+]1CCCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885981939 756844454 /nfs/dbraw/zinc/84/44/54/756844454.db2.gz QTKUPOCWWGIVIC-UHFFFAOYSA-N 1 0 264.329 1.517 20 5 CDBDRO CCc1ccc(C(=O)N2CC[C@](C)([NH3+])C2)cc1[N+](=O)[O-] ZINC000868077275 756865314 /nfs/dbraw/zinc/86/53/14/756865314.db2.gz VETBUJWEKHSXQM-AWEZNQCLSA-N 1 0 277.324 1.721 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](C3OCCO3)C2)cc1 ZINC000719097175 756882094 /nfs/dbraw/zinc/88/20/94/756882094.db2.gz FVABDLVNHXWFDI-CYBMUJFWSA-N 1 0 292.335 1.832 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC000104083321 756944529 /nfs/dbraw/zinc/94/45/29/756944529.db2.gz LHDKUTLQYBODJH-UHFFFAOYSA-N 1 0 278.308 1.586 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000839193652 756959065 /nfs/dbraw/zinc/95/90/65/756959065.db2.gz YVGVGOUUSAFYJE-VHDGCEQUSA-N 1 0 292.335 1.739 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[NH+]1CCC(CCCO)CC1 ZINC000886122529 757036392 /nfs/dbraw/zinc/03/63/92/757036392.db2.gz CVMRSLXPWLRHEK-UHFFFAOYSA-N 1 0 279.340 1.974 20 5 CDBDRO COc1ccc(NC(=O)C[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000136474972 757229611 /nfs/dbraw/zinc/22/96/11/757229611.db2.gz LATAWFQXHCXHSK-SNVBAGLBSA-N 1 0 279.296 1.669 20 5 CDBDRO C[NH+](C)[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])C1CC1 ZINC000804431332 757525156 /nfs/dbraw/zinc/52/51/56/757525156.db2.gz AVXQKWWAZSJCKD-ZDUSSCGKSA-N 1 0 264.329 1.929 20 5 CDBDRO [NH3+][C@H]1CC[C@@H](C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000870875004 757805570 /nfs/dbraw/zinc/80/55/70/757805570.db2.gz SPGYKXXUDHGZMO-TXEJJXNPSA-N 1 0 277.324 1.729 20 5 CDBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839706351 757879821 /nfs/dbraw/zinc/87/98/21/757879821.db2.gz NACWWEIXVWXZSC-CHWSQXEVSA-N 1 0 285.388 1.478 20 5 CDBDRO COCC1(CNc2nc(C)ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000261790670 758091444 /nfs/dbraw/zinc/09/14/44/758091444.db2.gz XRVDPDXAUVVONU-UHFFFAOYSA-N 1 0 294.355 1.726 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCN(C)C1 ZINC000866258954 758163922 /nfs/dbraw/zinc/16/39/22/758163922.db2.gz DSWJVKMLBYFNCJ-MFKMUULPSA-N 1 0 281.331 1.959 20 5 CDBDRO Cc1c(C[NH2+]CCN2CCOCC2)cccc1[N+](=O)[O-] ZINC000035648766 758229913 /nfs/dbraw/zinc/22/99/13/758229913.db2.gz OOZXTXKTQAZZRB-UHFFFAOYSA-N 1 0 279.340 1.325 20 5 CDBDRO C[NH2+][C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923284537 758262570 /nfs/dbraw/zinc/26/25/70/758262570.db2.gz OSOGWQHIXASDDG-GXTWGEPZSA-N 1 0 279.340 1.312 20 5 CDBDRO CC[C@H](CO)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000931771491 758543837 /nfs/dbraw/zinc/54/38/37/758543837.db2.gz KVPKXQYNMCOMOG-MFKMUULPSA-N 1 0 293.323 1.061 20 5 CDBDRO CN1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)CCC1=O ZINC000846920428 758733796 /nfs/dbraw/zinc/73/37/96/758733796.db2.gz LVMCCMPTRIOWHJ-NSHDSACASA-N 1 0 295.314 1.787 20 5 CDBDRO CC[C@@H](CO)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217502 912300484 /nfs/dbraw/zinc/30/04/84/912300484.db2.gz VTUNCYFJZPVJOQ-JQWIXIFHSA-N 1 0 252.314 1.886 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCNC(=O)CC1 ZINC001173223529 912310964 /nfs/dbraw/zinc/31/09/64/912310964.db2.gz ASAWCGBVIORDLY-LLVKDONJSA-N 1 0 277.324 1.348 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1COC(=O)C1 ZINC001173234322 912328998 /nfs/dbraw/zinc/32/89/98/912328998.db2.gz OEKWWJAELCPSEC-ONGXEEELSA-N 1 0 264.281 1.431 20 5 CDBDRO [NH3+]Cc1cccn1-c1cccc2ncc([N+](=O)[O-])n21 ZINC001167595577 896961181 /nfs/dbraw/zinc/96/11/81/896961181.db2.gz FVLNUVKWRYYPBX-UHFFFAOYSA-N 1 0 257.253 1.492 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1cc(F)cc(F)c1[N+](=O)[O-] ZINC001167689530 898191508 /nfs/dbraw/zinc/19/15/08/898191508.db2.gz JSWMESONMCJTBT-UHFFFAOYSA-N 1 0 280.234 1.602 20 5 CDBDRO COc1c(F)cc(NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC001161668551 904997763 /nfs/dbraw/zinc/99/77/63/904997763.db2.gz LJSYRAZUFYWQHV-UHFFFAOYSA-N 1 0 257.265 1.716 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1O[C@H]1C[NH+]2CCC1CC2 ZINC001226750861 905567399 /nfs/dbraw/zinc/56/73/99/905567399.db2.gz ABEFHXDCEGMRTM-NSHDSACASA-N 1 0 267.260 1.602 20 5 CDBDRO COc1nc(C)c(NC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001168186322 907744316 /nfs/dbraw/zinc/74/43/16/907744316.db2.gz WXTYFAUTEXPVST-UHFFFAOYSA-N 1 0 280.328 1.861 20 5 CDBDRO COC(=O)[C@H](Cc1ccccc1)OCC[N+](C)(C)C ZINC001224772014 910664662 /nfs/dbraw/zinc/66/46/62/910664662.db2.gz VREKDXZBILTYBP-AWEZNQCLSA-N 1 0 266.361 1.494 20 5 CDBDRO C[C@@H](CO)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897331 912034853 /nfs/dbraw/zinc/03/48/53/912034853.db2.gz ZHWZODMJSKSMQG-GXFFZTMASA-N 1 0 264.325 1.813 20 5 CDBDRO NCC1([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172900361 912039452 /nfs/dbraw/zinc/03/94/52/912039452.db2.gz CXCZMHMIJGNSKA-ZDUSSCGKSA-N 1 0 275.352 1.923 20 5 CDBDRO CCCOCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001124444507 936316934 /nfs/dbraw/zinc/31/69/34/936316934.db2.gz RJNHPYJSGHMSPV-UHFFFAOYSA-N 1 0 295.339 1.227 20 5 CDBDRO CC(C)OCCCNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001168679300 920448189 /nfs/dbraw/zinc/44/81/89/920448189.db2.gz JQWFQBRLZJAYDP-UHFFFAOYSA-N 1 0 295.343 1.299 20 5 CDBDRO C[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834909153 936709650 /nfs/dbraw/zinc/70/96/50/936709650.db2.gz OTAUSVSQXDJBJS-XPTSAGLGSA-N 1 0 292.339 1.496 20 5 CDBDRO Cc1ncn(-c2ncccc2[N+](=O)[O-])c1CSCC[NH3+] ZINC001168787702 927414418 /nfs/dbraw/zinc/41/44/18/927414418.db2.gz JALKVAVRPQAXDP-UHFFFAOYSA-N 1 0 293.352 1.676 20 5 CDBDRO COc1cc(N(CC[NH3+])c2cccnc2)cnc1[N+](=O)[O-] ZINC001168838170 927484092 /nfs/dbraw/zinc/48/40/92/927484092.db2.gz RTAOIOKRMRRBNU-UHFFFAOYSA-N 1 0 289.295 1.490 20 5 CDBDRO [NH3+]CCc1cnn(-c2nc3c(cc2[N+](=O)[O-])CCCC3)c1 ZINC001168947479 927553824 /nfs/dbraw/zinc/55/38/24/927553824.db2.gz VSTSCGFXSCYDRW-UHFFFAOYSA-N 1 0 287.323 1.556 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2nccc(Cl)n2)C1 ZINC001168979929 927568575 /nfs/dbraw/zinc/56/85/75/927568575.db2.gz CGGDZABZVWXGDG-IUCAKERBSA-N 1 0 270.720 1.665 20 5 CDBDRO C[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ncc(F)cn1 ZINC001168985118 927573557 /nfs/dbraw/zinc/57/35/57/927573557.db2.gz DDFAGJMOQDHSSY-YWVKMMECSA-N 1 0 268.292 1.712 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[C@H](O)C2)C1 ZINC001168985553 927575308 /nfs/dbraw/zinc/57/53/08/927575308.db2.gz STXLUGFDKNILNS-RNJOBUHISA-N 1 0 256.346 1.573 20 5 CDBDRO Cc1cnc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001168958865 927578870 /nfs/dbraw/zinc/57/88/70/927578870.db2.gz QMZFPLQGGDITKT-WDEREUQCSA-N 1 0 250.302 1.320 20 5 CDBDRO C[C@@]1(O)CC[C@@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168960613 927579284 /nfs/dbraw/zinc/57/92/84/927579284.db2.gz FSDDBPPQPJNWCH-RVMXOQNASA-N 1 0 256.346 1.715 20 5 CDBDRO CCOC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168975193 927599242 /nfs/dbraw/zinc/59/92/42/927599242.db2.gz UNRYHPWFTODVNX-GARJFASQSA-N 1 0 258.318 1.363 20 5 CDBDRO CCN1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168957859 927580238 /nfs/dbraw/zinc/58/02/38/927580238.db2.gz JTFYIJXURAZPEF-XQQFMLRXSA-N 1 0 255.362 1.506 20 5 CDBDRO COC(=O)c1csc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168965123 927587068 /nfs/dbraw/zinc/58/70/68/927587068.db2.gz YGECALZZFJPIQI-DTWKUNHWSA-N 1 0 299.352 1.465 20 5 CDBDRO COCCn1cnc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168995719 927602217 /nfs/dbraw/zinc/60/22/17/927602217.db2.gz SSJMMSODONFQQV-VXGBXAGGSA-N 1 0 282.344 1.065 20 5 CDBDRO C[C@]1(O)CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169008060 927611181 /nfs/dbraw/zinc/61/11/81/927611181.db2.gz RILSWJRQCICKFM-AVGNSLFASA-N 1 0 256.346 1.669 20 5 CDBDRO CN1CCC([N@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169007772 927611424 /nfs/dbraw/zinc/61/14/24/927611424.db2.gz QBZSUBUZSNKNAP-DGCLKSJQSA-N 1 0 255.362 1.458 20 5 CDBDRO COC(=O)C12CCC([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)(CC1)C2 ZINC001169006517 927611508 /nfs/dbraw/zinc/61/15/08/927611508.db2.gz YITVBMKTNJFZLW-CZWNDGCPSA-N 1 0 296.367 1.897 20 5 CDBDRO COC(=O)[C@@H]1CC[C@@H](C)[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169010246 927614402 /nfs/dbraw/zinc/61/44/02/927614402.db2.gz BSRCZECEYYJWGV-FDYHWXHSSA-N 1 0 284.356 1.705 20 5 CDBDRO CCOC(=O)C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169014405 927619199 /nfs/dbraw/zinc/61/91/99/927619199.db2.gz ZJCIEGPRAHZYDW-YPMHNXCESA-N 1 0 284.356 1.707 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CC3(C2)CCCOC3)C1 ZINC001169012987 927619391 /nfs/dbraw/zinc/61/93/91/927619391.db2.gz SROAQKDNHYCBHP-RYUDHWBXSA-N 1 0 254.330 1.544 20 5 CDBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168986610 927622139 /nfs/dbraw/zinc/62/21/39/927622139.db2.gz XQFACRJUQZHXQW-FVCCEPFGSA-N 1 0 284.356 1.753 20 5 CDBDRO CCOC(=O)[C@H](C)C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168988448 927626532 /nfs/dbraw/zinc/62/65/32/927626532.db2.gz SKOGLCJXMXLKCP-OUAUKWLOSA-N 1 0 258.318 1.221 20 5 CDBDRO CCN1CCC([N@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169034528 927642366 /nfs/dbraw/zinc/64/23/66/927642366.db2.gz HILGDYDOGMJRQV-TZMCWYRMSA-N 1 0 269.389 1.848 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCc3ncccc3C2)C1 ZINC001169034531 927642587 /nfs/dbraw/zinc/64/25/87/927642587.db2.gz HKBXNNWRIFSLDO-WCQYABFASA-N 1 0 261.325 1.885 20 5 CDBDRO N=c1sc2c(n1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC[NH2+]C2 ZINC001169035942 927645208 /nfs/dbraw/zinc/64/52/08/927645208.db2.gz MGNCBJWUCFQXON-RKDXNWHRSA-N 1 0 282.369 1.293 20 5 CDBDRO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169017529 927657125 /nfs/dbraw/zinc/65/71/25/927657125.db2.gz AIKQHDHJJDXFOD-UMSGYPCISA-N 1 0 255.362 1.456 20 5 CDBDRO Cc1cnc(-n2nnc3ccc(C[NH3+])cc32)cc1[N+](=O)[O-] ZINC001170024623 929061045 /nfs/dbraw/zinc/06/10/45/929061045.db2.gz XWIVRQCQFGNOKN-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(NC[C@@H]2COCC[NH2+]2)c1 ZINC001170044130 929129877 /nfs/dbraw/zinc/12/98/77/929129877.db2.gz KESUQQXTSSDQNC-MRVPVSSYSA-N 1 0 271.704 1.649 20 5 CDBDRO COc1nc(C)c(N(C)C(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC001170059359 929235040 /nfs/dbraw/zinc/23/50/40/929235040.db2.gz SWDUBEYMADWOEH-UHFFFAOYSA-N 1 0 268.317 1.480 20 5 CDBDRO Cn1cc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c([N+](=O)[O-])n1 ZINC000886816177 930966713 /nfs/dbraw/zinc/96/67/13/930966713.db2.gz OUPGDPDUNYIFKK-ZYHUDNBSSA-N 1 0 280.328 1.329 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)Nc1c(C)cncc1[N+](=O)[O-] ZINC001117248444 937504037 /nfs/dbraw/zinc/50/40/37/937504037.db2.gz GKZLRDGINLAEKU-LLVKDONJSA-N 1 0 266.345 1.862 20 5 CDBDRO CC[N+](C)(C)Cc1ccccc1NC1CN(C(C)=O)C1 ZINC001171076697 931495476 /nfs/dbraw/zinc/49/54/76/931495476.db2.gz BZJXRQQZKIUPRZ-UHFFFAOYSA-N 1 0 276.404 1.926 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@](C)([NH3+])C1 ZINC001246532612 931624156 /nfs/dbraw/zinc/62/41/56/931624156.db2.gz XCGTVIZSQZBENR-SMDDNHRTSA-N 1 0 263.341 1.949 20 5 CDBDRO COc1nc(N[C@H]2CCC[C@@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC001154975074 937614998 /nfs/dbraw/zinc/61/49/98/937614998.db2.gz GVGWRAJSWRFDOX-SFYZADRCSA-N 1 0 267.289 1.075 20 5 CDBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1ncc([N+](=O)[O-])cc1N ZINC001155259071 937654430 /nfs/dbraw/zinc/65/44/30/937654430.db2.gz VLFXCIJPRRWZLM-MRVPVSSYSA-N 1 0 298.306 1.931 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001155915389 937688381 /nfs/dbraw/zinc/68/83/81/937688381.db2.gz TZOUYWDBHQMZEP-VIFPVBQESA-N 1 0 275.312 1.900 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H]2CCO)cc1 ZINC000778273304 933989570 /nfs/dbraw/zinc/98/95/70/933989570.db2.gz YMFYHYUZWIBWQR-TZMCWYRMSA-N 1 0 280.324 1.475 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2F)CCC1 ZINC000097929903 935111277 /nfs/dbraw/zinc/11/12/77/935111277.db2.gz FQVWZCVFGWGMJU-UHFFFAOYSA-N 1 0 295.314 1.948 20 5 CDBDRO Cc1cc(NC(=O)[C@@H]2CSCN2)cc([N+](=O)[O-])c1 ZINC001122511292 937938545 /nfs/dbraw/zinc/93/85/45/937938545.db2.gz LJUKUAVQZYYSDF-JTQLQIEISA-N 1 0 267.310 1.504 20 5 CDBDRO CN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])C1CC[NH2+]CC1 ZINC001156176191 938328969 /nfs/dbraw/zinc/32/89/69/938328969.db2.gz WIQNBCQSNWSDLN-UHFFFAOYSA-N 1 0 286.719 1.070 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N(C)[C@]2(C)CCC[NH2+]C2)n1 ZINC001156957239 938438648 /nfs/dbraw/zinc/43/86/48/938438648.db2.gz VMJILQIUSMJGRT-GFCCVEGCSA-N 1 0 299.762 1.925 20 5 CDBDRO Cc1cnc(N(C)[C@@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001156956860 938438805 /nfs/dbraw/zinc/43/88/05/938438805.db2.gz QSMWLNDCOVCMTP-ZDUSSCGKSA-N 1 0 264.329 1.877 20 5 CDBDRO [NH3+]Cc1cnn(-c2ncnc3cccc([N+](=O)[O-])c32)c1 ZINC001157478790 938499871 /nfs/dbraw/zinc/49/98/71/938499871.db2.gz VVWXXLIQBDAVBF-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO CCC1(Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)C[NH2+]C1 ZINC001157784852 938545267 /nfs/dbraw/zinc/54/52/67/938545267.db2.gz MOGQXHOCAJGGQY-UHFFFAOYSA-N 1 0 261.285 1.635 20 5 CDBDRO CC(C)OCCCNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001157872087 938556295 /nfs/dbraw/zinc/55/62/95/938556295.db2.gz KSZKDFTYVLAGNX-UHFFFAOYSA-N 1 0 295.343 1.299 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1nc(C)cc(Cl)c1[N+](=O)[O-] ZINC001158128424 938585491 /nfs/dbraw/zinc/58/54/91/938585491.db2.gz FROQKRREKPBCNJ-UHFFFAOYSA-N 1 0 296.718 1.342 20 5 CDBDRO [NH3+]Cc1ccc2c(n1)N(c1cc([N+](=O)[O-])ccn1)CCC2 ZINC001158647296 938645447 /nfs/dbraw/zinc/64/54/47/938645447.db2.gz MJLHTGGEKYGGLO-UHFFFAOYSA-N 1 0 285.307 1.928 20 5 CDBDRO Cc1nc(N2CCC[C@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC001158674263 938649056 /nfs/dbraw/zinc/64/90/56/938649056.db2.gz VIUAEVQEOHJIPL-CYBMUJFWSA-N 1 0 264.329 1.863 20 5 CDBDRO Cc1c(C)c(N2CC3(C2)CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001159025321 938692357 /nfs/dbraw/zinc/69/23/57/938692357.db2.gz MXRZZVAYJRURCV-UHFFFAOYSA-N 1 0 276.340 1.796 20 5 CDBDRO O=[N+]([O-])c1cccc2ccc(N[C@H]3C[NH2+]C[C@H]3CO)nc21 ZINC001159674729 938744362 /nfs/dbraw/zinc/74/43/62/938744362.db2.gz AWJUYZWWNFVMLM-QWRGUYRKSA-N 1 0 288.307 1.135 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1NC[C@@H]1CCCC[NH2+]1 ZINC001160147036 938771282 /nfs/dbraw/zinc/77/12/82/938771282.db2.gz GZKJCPHMYFUYGV-QMMMGPOBSA-N 1 0 286.719 1.436 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1Nc1ccc(C[NH3+])nc1 ZINC001160396522 938784113 /nfs/dbraw/zinc/78/41/13/938784113.db2.gz KOYYFIXPCMRYTF-UHFFFAOYSA-N 1 0 259.269 1.896 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NCC[NH2+]C(C)(C)C)n1 ZINC001160844313 938832186 /nfs/dbraw/zinc/83/21/86/938832186.db2.gz ZIHSGOVTWDXOSD-UHFFFAOYSA-N 1 0 280.328 1.416 20 5 CDBDRO Cc1cnc(NCCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001161708756 938924223 /nfs/dbraw/zinc/92/42/23/938924223.db2.gz VEYCSWWBXXAEBL-UHFFFAOYSA-N 1 0 293.371 1.348 20 5 CDBDRO CC1(C)C[NH2+]C[C@H](CNc2ncc([N+](=O)[O-])cc2F)O1 ZINC001161954517 938947973 /nfs/dbraw/zinc/94/79/73/938947973.db2.gz WZILZXHSRWTWAY-SECBINFHSA-N 1 0 284.291 1.308 20 5 CDBDRO CC[C@H](CNc1nn(C)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001162132407 938957245 /nfs/dbraw/zinc/95/72/45/938957245.db2.gz POQQYNNAEKKCKG-SNVBAGLBSA-N 1 0 267.333 1.615 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(-n2cnc(C[NH3+])c2)c1F ZINC001162304715 938976206 /nfs/dbraw/zinc/97/62/06/938976206.db2.gz RAVKDBICARVSQQ-UHFFFAOYSA-N 1 0 250.233 1.687 20 5 CDBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162478158 939065121 /nfs/dbraw/zinc/06/51/21/939065121.db2.gz WNRIFLHWDDDERH-YUMQZZPRSA-N 1 0 279.275 1.583 20 5 CDBDRO COc1nc(C)c(NC[C@H]2C[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC001162556600 939086461 /nfs/dbraw/zinc/08/64/61/939086461.db2.gz MSPJZDKDAHDYQA-PSASIEDQSA-N 1 0 280.328 1.717 20 5 CDBDRO C[C@@H]1C[C@@H](CNc2cccc3ncc([N+](=O)[O-])n32)C[NH2+]1 ZINC001162563808 939088882 /nfs/dbraw/zinc/08/88/82/939088882.db2.gz WPLWVEWLSMHPTK-NXEZZACHSA-N 1 0 275.312 1.652 20 5 CDBDRO CCOc1nc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)ccc1[N+](=O)[O-] ZINC001162797371 939144252 /nfs/dbraw/zinc/14/42/52/939144252.db2.gz MHPVIKWUJRPSPM-OUAUKWLOSA-N 1 0 290.323 1.574 20 5 CDBDRO [NH3+][C@H]1COC[C@H]1Nc1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001162920140 939161260 /nfs/dbraw/zinc/16/12/60/939161260.db2.gz QJUHBSGXMKHGTQ-VHSXEESVSA-N 1 0 292.270 1.420 20 5 CDBDRO [NH3+][C@H]1COC[C@H]1Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC001162924907 939161859 /nfs/dbraw/zinc/16/18/59/939161859.db2.gz IPEGVURHWJKQOP-JOYOIKCWSA-N 1 0 274.280 1.281 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1c(Cl)nccc1[N+](=O)[O-] ZINC001163979600 939368759 /nfs/dbraw/zinc/36/87/59/939368759.db2.gz FMEIWAYPTSZTMA-UHFFFAOYSA-N 1 0 267.676 1.596 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(N2C[C@H]3C[NH+](C)C[C@@H]3C2)nc1Cl ZINC001165146122 939517696 /nfs/dbraw/zinc/51/76/96/939517696.db2.gz BNAHNVJVHUQEIQ-NXEZZACHSA-N 1 0 296.758 1.949 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001165237151 939530832 /nfs/dbraw/zinc/53/08/32/939530832.db2.gz WPZGDQSGMKGPBI-LBPRGKRZSA-N 1 0 297.746 1.618 20 5 CDBDRO [NH3+][C@H]1[C@H]2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)C[C@@H]12 ZINC001165382696 939553581 /nfs/dbraw/zinc/55/35/81/939553581.db2.gz DKULWBJEXUAFFD-GNXNZQSNSA-N 1 0 270.292 1.536 20 5 CDBDRO Cc1nc(N2CCC(C3C[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC001165408763 939559810 /nfs/dbraw/zinc/55/98/10/939559810.db2.gz CWJWNDDMBCCPFO-UHFFFAOYSA-N 1 0 276.340 1.734 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(N(C)C[C@@H]2CC[NH2+]C2)nc1Cl ZINC001166954547 939658319 /nfs/dbraw/zinc/65/83/19/939658319.db2.gz CKFJEWFUGDOSDV-SECBINFHSA-N 1 0 284.747 1.997 20 5 CDBDRO CC[C@H](C)C[C@H]([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000400866152 940859412 /nfs/dbraw/zinc/85/94/12/940859412.db2.gz FKFYLRQIULFRAO-JQWIXIFHSA-N 1 0 279.340 1.975 20 5 CDBDRO COc1cccc(CO[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC001217824028 941021352 /nfs/dbraw/zinc/02/13/52/941021352.db2.gz KOZSSTMPJSSLDX-JTQLQIEISA-N 1 0 252.270 1.482 20 5 CDBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1ccc(N)c([N+](=O)[O-])c1 ZINC001218031120 941036465 /nfs/dbraw/zinc/03/64/65/941036465.db2.gz MWPCRUSDEZGINT-ZANVPECISA-N 1 0 265.313 1.944 20 5 CDBDRO Nc1ccc(O[C@@H]2CC[C@@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001218122607 941041021 /nfs/dbraw/zinc/04/10/21/941041021.db2.gz HRIBDUDRMFIGCY-OLZOCXBDSA-N 1 0 263.297 1.698 20 5 CDBDRO O=c1[nH]nc(O[C@H]2CCC[NH2+]C2)c2c1cccc2[N+](=O)[O-] ZINC001218284650 941051699 /nfs/dbraw/zinc/05/16/99/941051699.db2.gz ZLJMRJIDLRYEMN-QMMMGPOBSA-N 1 0 290.279 1.374 20 5 CDBDRO COC(=O)c1ccc(O[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001218285027 941051735 /nfs/dbraw/zinc/05/17/35/941051735.db2.gz AXIZWFKGBFLERL-JTQLQIEISA-N 1 0 280.280 1.512 20 5 CDBDRO O=[N+]([O-])c1cccc(O[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001218286813 941052131 /nfs/dbraw/zinc/05/21/31/941052131.db2.gz VCVNFQTVUXGJDF-QMMMGPOBSA-N 1 0 267.241 1.634 20 5 CDBDRO O=[N+]([O-])c1nc(Cl)ccc1O[C@H]1CCC[NH2+]C1 ZINC001218285306 941052341 /nfs/dbraw/zinc/05/23/41/941052341.db2.gz JKLTUURTAHEOML-ZETCQYMHSA-N 1 0 257.677 1.774 20 5 CDBDRO CC(=O)Nc1nc(CO[C@H](C)C[N+](C)(C)C)cs1 ZINC001222880132 941638442 /nfs/dbraw/zinc/63/84/42/941638442.db2.gz LWAXZCACPZNWJL-SECBINFHSA-O 1 0 272.394 1.713 20 5 CDBDRO CCOC(=O)c1ccc(CO[C@@H](C)C[N+](C)(C)C)nc1 ZINC001222977493 941646354 /nfs/dbraw/zinc/64/63/54/941646354.db2.gz NQHJVOWLTUVRHT-LBPRGKRZSA-N 1 0 281.376 1.870 20 5 CDBDRO O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCC[NH+]1CCCC1)C2 ZINC001224743776 941788712 /nfs/dbraw/zinc/78/87/12/941788712.db2.gz FTLZVFOMQPOOQB-NSHDSACASA-N 1 0 296.327 1.055 20 5 CDBDRO CCOC(=O)[C@@H]1CCC[C@H](OCC[N+](C)(C)C)C1 ZINC001224776551 941790269 /nfs/dbraw/zinc/79/02/69/941790269.db2.gz XSHIVTNXDWMMDO-OLZOCXBDSA-N 1 0 258.382 1.831 20 5 CDBDRO CC(=O)N1CCC[C@@H](CO[C@@H](C)C[N+](C)(C)C)C1 ZINC001225171900 941827390 /nfs/dbraw/zinc/82/73/90/941827390.db2.gz AUJFUAPIJGFLCS-GXTWGEPZSA-N 1 0 257.398 1.356 20 5 CDBDRO COC(=O)c1cc(O)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001225972886 941935766 /nfs/dbraw/zinc/93/57/66/941935766.db2.gz GRFPOMOCXRUMNQ-JTQLQIEISA-O 1 0 268.333 1.652 20 5 CDBDRO O=[N+]([O-])c1cccc(O)c1O[C@@H]1C[NH+]2CCC1CC2 ZINC001226334164 941988830 /nfs/dbraw/zinc/98/88/30/941988830.db2.gz RXMQANMYEQDTAB-GFCCVEGCSA-N 1 0 264.281 1.773 20 5 CDBDRO Nc1cc(O[C@@H](C[N+](=O)[O-])c2cccnc2)cc[nH+]1 ZINC001226655348 942042968 /nfs/dbraw/zinc/04/29/68/942042968.db2.gz FRWFLZNZKWXNKJ-NSHDSACASA-N 1 0 260.253 1.456 20 5 CDBDRO C[N@@H+]1CCC[C@@H](Oc2ncc([N+](=O)[O-])cn2)CC1 ZINC001226732826 942060315 /nfs/dbraw/zinc/06/03/15/942060315.db2.gz ZVQUDEGTNYBVRX-SNVBAGLBSA-N 1 0 252.274 1.248 20 5 CDBDRO C[N@@H+]1CC[C@H](Oc2nc3c(cccc3[N+](=O)[O-])o2)C1 ZINC001227236920 942155558 /nfs/dbraw/zinc/15/55/58/942155558.db2.gz BVBUAJWJNCPOPL-QMMMGPOBSA-N 1 0 263.253 1.819 20 5 CDBDRO CC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001227463838 942179248 /nfs/dbraw/zinc/17/92/48/942179248.db2.gz HQDCVGFBMUQXMI-CYBMUJFWSA-N 1 0 280.344 1.252 20 5 CDBDRO C[C@H](C[NH+](C)C)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001227465365 942179272 /nfs/dbraw/zinc/17/92/72/942179272.db2.gz CRCOJAYSARCSJB-MRVPVSSYSA-N 1 0 269.257 1.832 20 5 CDBDRO COC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001227560959 942188166 /nfs/dbraw/zinc/18/81/66/942188166.db2.gz FAYFXBRZQURETI-LLVKDONJSA-N 1 0 252.334 1.947 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1n[nH]c(=O)c2cccnc21 ZINC001228707716 942364594 /nfs/dbraw/zinc/36/45/94/942364594.db2.gz BYEJNEIMZRYJHJ-VIFPVBQESA-O 1 0 263.321 1.204 20 5 CDBDRO C[N@H+](CCCNC(=O)C1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001231064666 942772925 /nfs/dbraw/zinc/77/29/25/942772925.db2.gz LHDBNPZMHIYKCT-UHFFFAOYSA-N 1 0 291.351 1.943 20 5 CDBDRO Cc1nccc([N+](=O)[O-])c1O[C@@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001234900340 943968377 /nfs/dbraw/zinc/96/83/77/943968377.db2.gz IXSBTTHKPLFBSE-ZWKOPEQDSA-N 1 0 291.307 1.481 20 5 CDBDRO CCc1ccc(C(=O)NOCC[NH+](C)C)cc1[N+](=O)[O-] ZINC001261740698 946256781 /nfs/dbraw/zinc/25/67/81/946256781.db2.gz LKMZECDKZWBBMB-UHFFFAOYSA-N 1 0 281.312 1.380 20 5 CDBDRO C[C@@H]([NH2+]CCNc1ccccc1[N+](=O)[O-])[C@H](C)O ZINC001262561819 946710630 /nfs/dbraw/zinc/71/06/30/946710630.db2.gz HPEIHQFLEHHSEV-ZJUUUORDSA-N 1 0 253.302 1.366 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH3+])C1 ZINC001254538415 947515845 /nfs/dbraw/zinc/51/58/45/947515845.db2.gz UQNRSFFTGQCJKC-WCQYABFASA-N 1 0 263.341 1.949 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC(=O)N1 ZINC001254534746 947516339 /nfs/dbraw/zinc/51/63/39/947516339.db2.gz CMGKOOYFQFDVQV-JQWIXIFHSA-N 1 0 277.324 1.394 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COC(=O)C1 ZINC001254539725 947517584 /nfs/dbraw/zinc/51/75/84/947517584.db2.gz KEGRZBGURTXOAL-GXSJLCMTSA-N 1 0 264.281 1.431 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](C)(O)C1 ZINC001254553831 947523732 /nfs/dbraw/zinc/52/37/32/947523732.db2.gz ZQIUUIKSIBOBNI-FZMZJTMJSA-N 1 0 264.325 1.983 20 5 CDBDRO COCCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254569501 947527614 /nfs/dbraw/zinc/52/76/14/947527614.db2.gz YTULMDYRTAHJJZ-LBPRGKRZSA-N 1 0 250.298 1.688 20 5 CDBDRO CC1(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)COC1 ZINC001254567015 947528242 /nfs/dbraw/zinc/52/82/42/947528242.db2.gz MKFDRDNPCISIHW-LBPRGKRZSA-N 1 0 262.309 1.688 20 5 CDBDRO Cc1nccn1CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254571721 947530991 /nfs/dbraw/zinc/53/09/91/947530991.db2.gz AUZNLQZZPBPRRO-AWEZNQCLSA-N 1 0 286.335 1.857 20 5 CDBDRO [NH3+]CCN(c1cccnc1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254574585 947532191 /nfs/dbraw/zinc/53/21/91/947532191.db2.gz IZHFLBKIUGVKKF-MRXNPFEDSA-N 1 0 298.346 1.922 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CC(CO)C1)C2 ZINC001254585415 947540186 /nfs/dbraw/zinc/54/01/86/947540186.db2.gz WZTJOJZZAZRDLP-UTVJUBTNSA-N 1 0 262.309 1.423 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1(CO)CCOCC1)C2 ZINC001254584968 947541250 /nfs/dbraw/zinc/54/12/50/947541250.db2.gz USSWFRRJGLZDQL-CYBMUJFWSA-N 1 0 292.335 1.193 20 5 CDBDRO C[C@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1O ZINC001254592749 947543096 /nfs/dbraw/zinc/54/30/96/947543096.db2.gz GJLAOLNOVYWSSD-QCZZGDTMSA-N 1 0 262.309 1.375 20 5 CDBDRO C[C@@H]1C(=O)N(C)CCN1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603289 947553357 /nfs/dbraw/zinc/55/33/57/947553357.db2.gz LOXZXYJUPOJIJN-QMTHXVAHSA-N 1 0 289.335 1.225 20 5 CDBDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604906 947554491 /nfs/dbraw/zinc/55/44/91/947554491.db2.gz YMCLGUGTWOXUTJ-ONERCXAPSA-N 1 0 276.336 1.907 20 5 CDBDRO CC1(N[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[NH2+]C1 ZINC001246123921 947972709 /nfs/dbraw/zinc/97/27/09/947972709.db2.gz VNBCKKPANRIQSY-CYBMUJFWSA-N 1 0 275.352 1.794 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001246529746 948233430 /nfs/dbraw/zinc/23/34/30/948233430.db2.gz LPNSBQBPLKRJEF-JLLWLGSASA-N 1 0 267.304 1.507 20 5 CDBDRO CS[C@H]1CN(c2c(C)cncc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC001326433604 954381026 /nfs/dbraw/zinc/38/10/26/954381026.db2.gz MALZUWRYRUCYLZ-NEPJUHHUSA-N 1 0 296.396 1.780 20 5 CDBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329281633 955797324 /nfs/dbraw/zinc/79/73/24/955797324.db2.gz HHMITKPVEGTUOW-KBPBESRZSA-N 1 0 289.335 1.825 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)OCC[C@H]1C ZINC001308167359 956483251 /nfs/dbraw/zinc/48/32/51/956483251.db2.gz UMANLKBTQUBMQR-GHMZBOCLSA-N 1 0 282.344 1.599 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N1CC[C@H]([NH+]2CCCC2)C1 ZINC001320575864 959252680 /nfs/dbraw/zinc/25/26/80/959252680.db2.gz LUKCTVOWPLSGIF-LBPRGKRZSA-N 1 0 276.340 1.973 20 5 CDBDRO C[C@H]1CN(CCN2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001321373427 959750654 /nfs/dbraw/zinc/75/06/54/959750654.db2.gz RMYYRHKSOSBEBS-LBPRGKRZSA-N 1 0 291.351 1.631 20 5 CDBDRO C[NH+](C)C1CN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001335464760 959822694 /nfs/dbraw/zinc/82/26/94/959822694.db2.gz GNKXHHCDBMWBQY-UHFFFAOYSA-N 1 0 266.257 1.253 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH+]2CCC1CC2 ZINC001336175819 960236051 /nfs/dbraw/zinc/23/60/51/960236051.db2.gz SLEUQELDMSMSDZ-CQSZACIVSA-N 1 0 289.335 1.348 20 5 CDBDRO C[NH+]1CCC(Nc2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001336454988 960354449 /nfs/dbraw/zinc/35/44/49/960354449.db2.gz OHGHMRTWBWZVJH-UHFFFAOYSA-N 1 0 251.290 1.078 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NCC[N@H+]1CCC[C@H](C)C1 ZINC001338681276 961947359 /nfs/dbraw/zinc/94/73/59/961947359.db2.gz MQKWXSCDYVAPDE-NSHDSACASA-N 1 0 278.356 1.864 20 5 CDBDRO CC[C@H](C)[NH+]1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)CC1 ZINC001339668660 962478700 /nfs/dbraw/zinc/47/87/00/962478700.db2.gz PSTIVXXJVYRWPU-WDEREUQCSA-N 1 0 296.375 1.073 20 5 CDBDRO CCC[NH2+]CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001340120069 962756001 /nfs/dbraw/zinc/75/60/01/962756001.db2.gz VFAQIRQEFCUPCW-KGLIPLIRSA-N 1 0 291.351 1.814 20 5 CDBDRO C[C@@H](NC(=O)[C@H]([NH3+])C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001340990385 963225341 /nfs/dbraw/zinc/22/53/41/963225341.db2.gz KFTDVWGEBJCZMZ-NOZJJQNGSA-N 1 0 277.324 1.899 20 5 CDBDRO C[C@@]([NH3+])(C(=O)NC/C=C\Cl)c1cccc([N+](=O)[O-])c1 ZINC001342295135 963700909 /nfs/dbraw/zinc/70/09/09/963700909.db2.gz ZWEHUDLQMWURIJ-RYBZSIHZSA-N 1 0 283.715 1.637 20 5 CDBDRO O=C(NC1(C2CC[NH2+]CC2)CC1)c1ccc([N+](=O)[O-])o1 ZINC001345465225 964713940 /nfs/dbraw/zinc/71/39/40/964713940.db2.gz GFFAZXFTXJMICM-UHFFFAOYSA-N 1 0 279.296 1.450 20 5 CDBDRO [NH3+][C@H](CC(F)F)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001345781146 964814194 /nfs/dbraw/zinc/81/41/94/964814194.db2.gz OAZCNWYJQAPSIK-SNVBAGLBSA-N 1 0 285.250 1.420 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001346057747 964903585 /nfs/dbraw/zinc/90/35/85/964903585.db2.gz RSGVCDZFEPZWEI-HONMWMINSA-N 1 0 291.351 1.813 20 5 CDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC001353085466 967679385 /nfs/dbraw/zinc/67/93/85/967679385.db2.gz JHKFMQBIFHXJRY-LLVKDONJSA-N 1 0 278.312 1.098 20 5 CDBDRO C[C@@]([NH3+])(C(=O)N[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC001576086590 1171330253 /nfs/dbraw/zinc/33/02/53/1171330253.db2.gz WACQPLAUGINRQL-RISCZKNCSA-N 1 0 293.323 1.064 20 5 CDBDRO CCn1c(CC[NH3+])nnc1Sc1ccsc1[N+](=O)[O-] ZINC000601123399 342471396 /nfs/dbraw/zinc/47/13/96/342471396.db2.gz BTEHOWLASBBZLY-UHFFFAOYSA-N 1 0 299.381 1.920 20 5 CDBDRO CC(=O)c1ccc(N[C@@H](CO)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000589101384 342496898 /nfs/dbraw/zinc/49/68/98/342496898.db2.gz BKWHIFAAPHLBCM-LLVKDONJSA-N 1 0 281.312 1.132 20 5 CDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COCC[C@H]1O ZINC000601306835 342551260 /nfs/dbraw/zinc/55/12/60/342551260.db2.gz SPUWAFFRFMSLDX-NJZAAPMLSA-N 1 0 294.351 1.655 20 5 CDBDRO O=[N+]([O-])c1cc(CN2CCC([NH2+]CCO)CC2)cs1 ZINC000601328718 342554435 /nfs/dbraw/zinc/55/44/35/342554435.db2.gz WXDVTQCCSPBUNV-UHFFFAOYSA-N 1 0 285.369 1.203 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000564955847 365555868 /nfs/dbraw/zinc/55/58/68/365555868.db2.gz BGDAFFPMLNBCIJ-RKDXNWHRSA-N 1 0 295.343 1.128 20 5 CDBDRO C[NH+](C)CCNc1ncc([N+](=O)[O-])cc1Br ZINC000082586770 178123360 /nfs/dbraw/zinc/12/33/60/178123360.db2.gz SQEIEWTZHGDEBI-UHFFFAOYSA-N 1 0 289.133 1.726 20 5 CDBDRO [NH3+]CCC1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000070187633 361772452 /nfs/dbraw/zinc/77/24/52/361772452.db2.gz XGLTVRVESFWSBF-UHFFFAOYSA-N 1 0 283.353 1.857 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCCN1CCn2cncc2C1 ZINC000590599037 342579639 /nfs/dbraw/zinc/57/96/39/342579639.db2.gz FBQSZXXPHNQUBU-UHFFFAOYSA-N 1 0 288.307 1.686 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000135218002 342070624 /nfs/dbraw/zinc/07/06/24/342070624.db2.gz FZNPTOQARCETAW-UHFFFAOYSA-N 1 0 265.313 1.633 20 5 CDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000600311851 342078749 /nfs/dbraw/zinc/07/87/49/342078749.db2.gz RCODRJFLVAXTEL-SNVBAGLBSA-N 1 0 280.328 1.385 20 5 CDBDRO CNc1ccc(C(=O)N2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000590899573 342607543 /nfs/dbraw/zinc/60/75/43/342607543.db2.gz JRLJYFLFPSUYOX-UHFFFAOYSA-N 1 0 292.339 1.447 20 5 CDBDRO COC1CC[NH+](CCNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591149316 342618704 /nfs/dbraw/zinc/61/87/04/342618704.db2.gz FQWLGOYXLQMSMN-UHFFFAOYSA-N 1 0 298.318 1.652 20 5 CDBDRO CC(C)([NH3+])CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591275489 342623915 /nfs/dbraw/zinc/62/39/15/342623915.db2.gz RJAWMYNKDQLNTG-UHFFFAOYSA-N 1 0 281.312 1.193 20 5 CDBDRO Cc1c(CNC(=O)NC[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000591357067 342627652 /nfs/dbraw/zinc/62/76/52/342627652.db2.gz SVKPCOWJVGHFFP-MRVPVSSYSA-N 1 0 266.301 1.050 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000591361281 342628409 /nfs/dbraw/zinc/62/84/09/342628409.db2.gz QURAEBPOOZJEGP-JTQLQIEISA-N 1 0 280.328 1.126 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@H]3CCCC[NH2+]3)c21 ZINC000591430066 342630078 /nfs/dbraw/zinc/63/00/78/342630078.db2.gz WAURFZJYKSNMRF-SNVBAGLBSA-N 1 0 287.323 1.514 20 5 CDBDRO CC(=O)NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000047772566 342132253 /nfs/dbraw/zinc/13/22/53/342132253.db2.gz HPGMHTXQDWKYBO-UHFFFAOYSA-N 1 0 291.351 1.943 20 5 CDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000592243462 342681040 /nfs/dbraw/zinc/68/10/40/342681040.db2.gz JTHQNDDJTOHLQQ-TVQRCGJNSA-N 1 0 293.298 1.558 20 5 CDBDRO Cc1c(CC(=O)N2CC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000592295000 342683951 /nfs/dbraw/zinc/68/39/51/342683951.db2.gz PGJDUIZBGZJLRI-LLVKDONJSA-N 1 0 277.324 1.253 20 5 CDBDRO CNc1ccc(C(=O)N2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000592294588 342683999 /nfs/dbraw/zinc/68/39/99/342683999.db2.gz HRLOTKSPKDPJGX-VIFPVBQESA-N 1 0 278.312 1.057 20 5 CDBDRO Cc1c(CC(=O)N[C@@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000592329147 342685320 /nfs/dbraw/zinc/68/53/20/342685320.db2.gz MMDQMBHEWHHSGG-CYBMUJFWSA-N 1 0 291.351 1.704 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000592333537 342685750 /nfs/dbraw/zinc/68/57/50/342685750.db2.gz JDKHPURJZQQMNO-SSDOTTSWSA-N 1 0 263.253 1.418 20 5 CDBDRO O=C(C[C@@H]1CCC[NH2+]1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000592136387 342672506 /nfs/dbraw/zinc/67/25/06/342672506.db2.gz QTZAQRLUIWFOCY-NSHDSACASA-N 1 0 293.323 1.232 20 5 CDBDRO CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CC[NH2+]C1 ZINC000592427588 342694749 /nfs/dbraw/zinc/69/47/49/342694749.db2.gz FMEUEIGWQWEVJG-LLVKDONJSA-N 1 0 293.323 1.160 20 5 CDBDRO O=C([C@H]1CCC[NH2+]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000592558678 342709460 /nfs/dbraw/zinc/70/94/60/342709460.db2.gz UKHVTQOOILGIRI-CYBMUJFWSA-N 1 0 289.335 1.838 20 5 CDBDRO COc1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1[N+](=O)[O-] ZINC000592558108 342709679 /nfs/dbraw/zinc/70/96/79/342709679.db2.gz ARUYAVGRIQOZOI-QNSHHTMESA-N 1 0 277.280 1.292 20 5 CDBDRO COc1ccc(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000592786183 342728500 /nfs/dbraw/zinc/72/85/00/342728500.db2.gz ZYLWBONARZTMSY-MWLCHTKSSA-N 1 0 293.323 1.882 20 5 CDBDRO CC(C)O[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000593055897 342760042 /nfs/dbraw/zinc/76/00/42/342760042.db2.gz TVAAEXVIFCUHBZ-LBPRGKRZSA-N 1 0 282.344 1.681 20 5 CDBDRO O=[N+]([O-])c1cccc(N2CCN(C[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000592984151 342751349 /nfs/dbraw/zinc/75/13/49/342751349.db2.gz LPLZMTMVJQSPNK-CYBMUJFWSA-N 1 0 290.367 1.326 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@]1(O)CCCOC1 ZINC000593690948 342823450 /nfs/dbraw/zinc/82/34/50/342823450.db2.gz BPZSZFGWIBZBHD-CQSZACIVSA-N 1 0 280.324 1.616 20 5 CDBDRO C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1CC[NH3+] ZINC000593733974 342830695 /nfs/dbraw/zinc/83/06/95/342830695.db2.gz PPURBMXHFYJSHS-YPMHNXCESA-N 1 0 281.360 1.241 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000382462679 361931820 /nfs/dbraw/zinc/93/18/20/361931820.db2.gz XKNPSHKWZSMVGJ-ONGXEEELSA-N 1 0 278.312 1.844 20 5 CDBDRO O=C(CC[NH2+]C[C@H]1C[C@@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000600754633 342247624 /nfs/dbraw/zinc/24/76/24/342247624.db2.gz GPBKYPNMXPXXNI-PHIMTYICSA-N 1 0 293.323 1.284 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCCCC[C@@H]([NH3+])C1 ZINC000600958759 342271018 /nfs/dbraw/zinc/27/10/18/342271018.db2.gz JSFZAWDRTZSLFN-LLVKDONJSA-N 1 0 281.360 1.827 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@H]21 ZINC000125899836 187203986 /nfs/dbraw/zinc/20/39/86/187203986.db2.gz CMTUPUIQLNGWJM-IVZWLZJFSA-N 1 0 278.312 1.122 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000595231512 343009782 /nfs/dbraw/zinc/00/97/82/343009782.db2.gz XTXMASWQFDAIEO-MRVPVSSYSA-N 1 0 282.300 1.333 20 5 CDBDRO Cc1noc(C[N@H+]2CCC[C@H]2C[C@@H](C)O)c1[N+](=O)[O-] ZINC000595399356 343048781 /nfs/dbraw/zinc/04/87/81/343048781.db2.gz ZOHGPCRRIVFPMH-SCZZXKLOSA-N 1 0 269.301 1.627 20 5 CDBDRO COC[C@]1(CO)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000451934544 362049070 /nfs/dbraw/zinc/04/90/70/362049070.db2.gz VGYXNVPEFANPQV-OAHLLOKOSA-N 1 0 294.351 1.468 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000078424773 342336990 /nfs/dbraw/zinc/33/69/90/342336990.db2.gz IRXORCMQLBALLU-GFCCVEGCSA-N 1 0 293.371 1.641 20 5 CDBDRO Cc1ccc(NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000595925045 343193369 /nfs/dbraw/zinc/19/33/69/343193369.db2.gz TYWVNKARMLITFU-ZYHUDNBSSA-N 1 0 279.296 1.206 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596103925 343228182 /nfs/dbraw/zinc/22/81/82/343228182.db2.gz HVEYXOBRSCRHNH-JTQLQIEISA-N 1 0 294.355 1.836 20 5 CDBDRO COCC[N@@H+]1CCC[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596116611 343231944 /nfs/dbraw/zinc/23/19/44/343231944.db2.gz ODDSKBZSZSSRGW-JTQLQIEISA-N 1 0 296.327 1.218 20 5 CDBDRO CCC[N@H+](C)C[C@H]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596143857 343242421 /nfs/dbraw/zinc/24/24/21/343242421.db2.gz WKFGQCZQQJRZOS-LLVKDONJSA-N 1 0 294.355 1.864 20 5 CDBDRO C[C@@H]1C[C@@H](Nc2ccc(N)c([N+](=O)[O-])n2)C[N@@H+]1C1CC1 ZINC000596155350 343247214 /nfs/dbraw/zinc/24/72/14/343247214.db2.gz IHFPSBBAEXXSQH-RKDXNWHRSA-N 1 0 277.328 1.031 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000596122223 343248594 /nfs/dbraw/zinc/24/85/94/343248594.db2.gz MDZPTKIYIAQRHG-CYBMUJFWSA-N 1 0 294.311 1.477 20 5 CDBDRO Cc1cnc(N2CC[C@@H]([NH+](C)C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000596246642 343286203 /nfs/dbraw/zinc/28/62/03/343286203.db2.gz XMZMAEXCGNVIIG-GHMZBOCLSA-N 1 0 264.329 1.827 20 5 CDBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596202666 343264232 /nfs/dbraw/zinc/26/42/32/343264232.db2.gz WQROGOWSLNDZKL-AAEUAGOBSA-N 1 0 292.339 1.588 20 5 CDBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H](C)C1 ZINC000596230449 343273216 /nfs/dbraw/zinc/27/32/16/343273216.db2.gz LAZOFMSWDPELHT-JTQLQIEISA-N 1 0 292.339 1.224 20 5 CDBDRO C[C@@H](CCNc1ncc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000596428712 343312405 /nfs/dbraw/zinc/31/24/05/343312405.db2.gz GXHZWXXZNOGVOH-QMMMGPOBSA-N 1 0 256.281 1.881 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000597926099 343664170 /nfs/dbraw/zinc/66/41/70/343664170.db2.gz VBYAFHQFXYRQCE-VIFPVBQESA-N 1 0 280.328 1.526 20 5 CDBDRO COC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000382576259 362250347 /nfs/dbraw/zinc/25/03/47/362250347.db2.gz UFLINIYRMUHXBE-SMDDNHRTSA-N 1 0 282.340 1.951 20 5 CDBDRO C[NH2+]C1(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCC1 ZINC000598633436 343849587 /nfs/dbraw/zinc/84/95/87/343849587.db2.gz NDNSXJJXZFLHQD-UHFFFAOYSA-N 1 0 278.312 1.248 20 5 CDBDRO NC(=O)c1ccc(NCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000166878791 362265991 /nfs/dbraw/zinc/26/59/91/362265991.db2.gz BDJWBATVFKVMBH-SNVBAGLBSA-N 1 0 278.312 1.248 20 5 CDBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CC[NH2+]CC1 ZINC000598914425 343919499 /nfs/dbraw/zinc/91/94/99/343919499.db2.gz DERLDPOUMWOPAY-UHFFFAOYSA-N 1 0 296.302 1.950 20 5 CDBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC[C@@H](O)C2)c(F)c1 ZINC000599175643 343965685 /nfs/dbraw/zinc/96/56/85/343965685.db2.gz GBHMZPJTNSKINC-SNVBAGLBSA-N 1 0 269.276 1.212 20 5 CDBDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000251995992 344061884 /nfs/dbraw/zinc/06/18/84/344061884.db2.gz ZPHDYFMTNLDDJS-NRWUCQMLSA-N 1 0 296.371 1.567 20 5 CDBDRO CC[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000600003372 344163612 /nfs/dbraw/zinc/16/36/12/344163612.db2.gz VRXSGPAYCUIKNT-VIFPVBQESA-N 1 0 251.286 1.840 20 5 CDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC[NH+](C)CC1 ZINC000599986702 344160193 /nfs/dbraw/zinc/16/01/93/344160193.db2.gz YAHUKENOYNMXBZ-UHFFFAOYSA-N 1 0 280.328 1.479 20 5 CDBDRO C[C@]1(C[NH3+])CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602489052 344450416 /nfs/dbraw/zinc/45/04/16/344450416.db2.gz DAUFIFVKVWRJNA-CYBMUJFWSA-N 1 0 281.287 1.545 20 5 CDBDRO [NH3+]CC[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])C(F)F ZINC000602493743 344451136 /nfs/dbraw/zinc/45/11/36/344451136.db2.gz DNEQVXOZYXWPKS-ZETCQYMHSA-N 1 0 291.229 1.446 20 5 CDBDRO COC(=O)[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602718407 344539352 /nfs/dbraw/zinc/53/93/52/344539352.db2.gz XSSVVIQWXRCGOJ-HAQNSBGRSA-N 1 0 278.308 1.679 20 5 CDBDRO C[C@@H](CCO)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602704741 344547970 /nfs/dbraw/zinc/54/79/70/344547970.db2.gz HSCPQBRZCBBNHI-VIFPVBQESA-N 1 0 279.296 1.939 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000602800995 344590550 /nfs/dbraw/zinc/59/05/50/344590550.db2.gz KJAXIYNYSFHNLB-STQMWFEESA-N 1 0 296.371 1.583 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@]1(C)CCO[C@H]1C ZINC000602822329 344610363 /nfs/dbraw/zinc/61/03/63/344610363.db2.gz RHIWDDGGTKAIFV-JOYOIKCWSA-N 1 0 268.317 1.257 20 5 CDBDRO COc1ccc(CNC(=O)/C=C/C[NH+](C)C)cc1[N+](=O)[O-] ZINC000265623524 362467813 /nfs/dbraw/zinc/46/78/13/362467813.db2.gz IAMXQPWPUIZXIM-SNAWJCMRSA-N 1 0 293.323 1.337 20 5 CDBDRO CC[C@@H]1CO[C@@H](CC)CN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602864177 344637530 /nfs/dbraw/zinc/63/75/30/344637530.db2.gz NDWRGFXUYIFNEL-OLZOCXBDSA-N 1 0 296.371 1.989 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000603706522 344827494 /nfs/dbraw/zinc/82/74/94/344827494.db2.gz QOHSMMVIEOYFHM-MNOVXSKESA-N 1 0 292.339 1.290 20 5 CDBDRO O=[N+]([O-])c1ncccc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000159329347 344829048 /nfs/dbraw/zinc/82/90/48/344829048.db2.gz ZMRSQRXAEZGDOJ-JTQLQIEISA-N 1 0 262.313 1.886 20 5 CDBDRO Cc1nc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000292784883 362499264 /nfs/dbraw/zinc/49/92/64/362499264.db2.gz MDRSOGDDJHBSTQ-AOOOYVTPSA-N 1 0 264.329 1.827 20 5 CDBDRO Cc1ccc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000319980179 345052137 /nfs/dbraw/zinc/05/21/37/345052137.db2.gz DMMBYPHEGUZDDN-UWVGGRQHSA-N 1 0 265.313 1.759 20 5 CDBDRO CC(C)(CCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000293216155 362541498 /nfs/dbraw/zinc/54/14/98/362541498.db2.gz BFKPIZIIXRXVAL-UHFFFAOYSA-N 1 0 265.313 1.842 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H](C[NH3+])C1CC1 ZINC000159870712 362544056 /nfs/dbraw/zinc/54/40/56/362544056.db2.gz KRTSLXZONMABNY-QMMMGPOBSA-N 1 0 269.326 1.466 20 5 CDBDRO C[NH+](C)C(C)(C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344359875 362572545 /nfs/dbraw/zinc/57/25/45/362572545.db2.gz WPJBLAZMHQDNJV-UHFFFAOYSA-N 1 0 283.303 1.804 20 5 CDBDRO Cn1ncc(C[NH2+]CCc2ccccc2[N+](=O)[O-])n1 ZINC000293421571 362560012 /nfs/dbraw/zinc/56/00/12/362560012.db2.gz AKXXDYOANOEVDB-UHFFFAOYSA-N 1 0 261.285 1.056 20 5 CDBDRO CC[C@H](O)CC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000127404151 187303836 /nfs/dbraw/zinc/30/38/36/187303836.db2.gz GUQDCVXQUFZAFR-NSHDSACASA-N 1 0 268.313 1.854 20 5 CDBDRO Cc1nn(C)c(N2CCC[C@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000609595487 345822420 /nfs/dbraw/zinc/82/24/20/345822420.db2.gz BXAKYBKEHVGGCD-NSHDSACASA-N 1 0 281.360 1.604 20 5 CDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C(C)(C)CO ZINC000609894917 346037288 /nfs/dbraw/zinc/03/72/88/346037288.db2.gz NFUYMOLCHNXWFR-UHFFFAOYSA-N 1 0 268.313 1.676 20 5 CDBDRO [NH3+]C1(CC(=O)NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000094295327 346063930 /nfs/dbraw/zinc/06/39/30/346063930.db2.gz TULSGCMWPGQMHU-UHFFFAOYSA-N 1 0 263.297 1.483 20 5 CDBDRO COc1ccc(OCC[N@H+](C)C(C)(C)CO)c([N+](=O)[O-])c1 ZINC000610369713 346265014 /nfs/dbraw/zinc/26/50/14/346265014.db2.gz BOWPIKACXHIWLG-UHFFFAOYSA-N 1 0 298.339 1.685 20 5 CDBDRO CC[C@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000106382813 136528762 /nfs/dbraw/zinc/52/87/62/136528762.db2.gz IIURJOYLXVTKEK-AWEZNQCLSA-N 1 0 279.340 1.488 20 5 CDBDRO C[C@@H](NC(=O)CC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000037766595 346367781 /nfs/dbraw/zinc/36/77/81/346367781.db2.gz MWRQBYLTLOHVMU-SNVBAGLBSA-N 1 0 277.324 1.914 20 5 CDBDRO CC[C@H](C)C[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000227700470 346530637 /nfs/dbraw/zinc/53/06/37/346530637.db2.gz UWSDWNJPOYDQMT-DMDPSCGWSA-N 1 0 284.360 1.567 20 5 CDBDRO CN(CCC[NH3+])C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000122211566 347615672 /nfs/dbraw/zinc/61/56/72/347615672.db2.gz XUBJJJZIMALEBB-UHFFFAOYSA-N 1 0 271.704 1.669 20 5 CDBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000025149371 348620135 /nfs/dbraw/zinc/62/01/35/348620135.db2.gz YJBXZNIMGYRAAL-SNVBAGLBSA-N 1 0 265.313 1.204 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000068341416 349062087 /nfs/dbraw/zinc/06/20/87/349062087.db2.gz QVUQGKZIRFYMDR-ZDUSSCGKSA-N 1 0 277.324 1.761 20 5 CDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000136993516 362938585 /nfs/dbraw/zinc/93/85/85/362938585.db2.gz DIVCHXREBGMUTO-SNVBAGLBSA-N 1 0 293.327 1.018 20 5 CDBDRO C[NH+](C)CCCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054645383 349395694 /nfs/dbraw/zinc/39/56/94/349395694.db2.gz FANQKWASLPEESG-UHFFFAOYSA-N 1 0 294.355 1.388 20 5 CDBDRO COc1cccc(C(=O)N[C@](C)(C[NH3+])C(C)C)c1[N+](=O)[O-] ZINC000515636151 362954835 /nfs/dbraw/zinc/95/48/35/362954835.db2.gz LVNMWMXCTFZPNN-CQSZACIVSA-N 1 0 295.339 1.707 20 5 CDBDRO Cc1c(C[NH2+][C@@H](C(N)=O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000106444587 186117517 /nfs/dbraw/zinc/11/75/17/186117517.db2.gz BPPMIGQNXXEQTD-LBPRGKRZSA-N 1 0 279.340 1.893 20 5 CDBDRO COC[C@@](C)([NH3+])CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000271381887 191109356 /nfs/dbraw/zinc/10/93/56/191109356.db2.gz XLSINWPWYOJVEH-AWEZNQCLSA-N 1 0 290.323 1.919 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000111135595 186357440 /nfs/dbraw/zinc/35/74/40/186357440.db2.gz GGBIUOOLSMBLJF-UHFFFAOYSA-N 1 0 285.731 1.882 20 5 CDBDRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000313357903 350835463 /nfs/dbraw/zinc/83/54/63/350835463.db2.gz UNFCPFVRQWKTCT-GFCCVEGCSA-N 1 0 294.311 1.176 20 5 CDBDRO CC(C)[NH2+]CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000516179835 363031873 /nfs/dbraw/zinc/03/18/73/363031873.db2.gz HGOBJTKFEZZEAM-UHFFFAOYSA-N 1 0 283.303 1.852 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000120152046 186879094 /nfs/dbraw/zinc/87/90/94/186879094.db2.gz OSRIPOFCOHTAQV-SECBINFHSA-N 1 0 267.260 1.216 20 5 CDBDRO CNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000291909294 198102531 /nfs/dbraw/zinc/10/25/31/198102531.db2.gz MPMJLGOTOVNUTQ-ZJUUUORDSA-N 1 0 265.313 1.688 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(NC[C@@H]3COCC[NH2+]3)ccc2c1 ZINC000236418845 363164616 /nfs/dbraw/zinc/16/46/16/363164616.db2.gz OUGSOZXPGWAAPC-LLVKDONJSA-N 1 0 288.307 1.543 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000133445708 187685399 /nfs/dbraw/zinc/68/53/99/187685399.db2.gz FNTVRCQKCZMVJZ-NSHDSACASA-N 1 0 293.323 1.184 20 5 CDBDRO CNC(=O)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292065869 198151211 /nfs/dbraw/zinc/15/12/11/198151211.db2.gz DAKNQHJZJZQIJG-UHFFFAOYSA-N 1 0 265.313 1.556 20 5 CDBDRO Cc1ccoc1CN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000292082947 198157554 /nfs/dbraw/zinc/15/75/54/198157554.db2.gz DPQSOTUJSIGDBP-UHFFFAOYSA-N 1 0 291.307 1.790 20 5 CDBDRO COC(=O)C[C@]1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000361740336 358473535 /nfs/dbraw/zinc/47/35/35/358473535.db2.gz HURDOAARNSRNML-CQSZACIVSA-N 1 0 294.307 1.407 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH+]2C[C@@H]3CCC[C@H]3C2)c1 ZINC000152878372 188050335 /nfs/dbraw/zinc/05/03/35/188050335.db2.gz DKFPBGLMZXLYGJ-QWRGUYRKSA-N 1 0 250.302 1.523 20 5 CDBDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000361762106 358475225 /nfs/dbraw/zinc/47/52/25/358475225.db2.gz BRHXTNARPHHNGP-MWLCHTKSSA-N 1 0 268.317 1.376 20 5 CDBDRO C[N@H+](CCn1cccn1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154223070 188130227 /nfs/dbraw/zinc/13/02/27/188130227.db2.gz XTSPOKVRFFPHQR-AWEZNQCLSA-N 1 0 290.323 1.457 20 5 CDBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000155104638 188183470 /nfs/dbraw/zinc/18/34/70/188183470.db2.gz FYHPNXLQCQPYRD-QWRGUYRKSA-N 1 0 293.323 1.548 20 5 CDBDRO CCOC(=O)[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000155815832 188228401 /nfs/dbraw/zinc/22/84/01/188228401.db2.gz QSQUJBPBXPMBEO-LLVKDONJSA-N 1 0 296.327 1.066 20 5 CDBDRO Cn1cc(C[N@H+](C)CCO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000157725213 188335949 /nfs/dbraw/zinc/33/59/49/188335949.db2.gz UUXBRCHUZQNKLI-UHFFFAOYSA-N 1 0 290.323 1.419 20 5 CDBDRO CCNC(=O)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000292744195 198396075 /nfs/dbraw/zinc/39/60/75/198396075.db2.gz APMHMJNXEYZLFS-AWEZNQCLSA-N 1 0 293.367 1.888 20 5 CDBDRO CN(CCCN1CC[NH+](C)CC1)c1cccnc1[N+](=O)[O-] ZINC000609512629 356389965 /nfs/dbraw/zinc/38/99/65/356389965.db2.gz PZTHJMILMPKUJD-UHFFFAOYSA-N 1 0 293.371 1.064 20 5 CDBDRO C[C@]1(O)CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286528085 356949580 /nfs/dbraw/zinc/94/95/80/356949580.db2.gz SVFRQTGIIGNVKJ-LBPRGKRZSA-N 1 0 272.251 1.830 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000163637998 357001577 /nfs/dbraw/zinc/00/15/77/357001577.db2.gz CBHBLSZUIRRTSA-MWLCHTKSSA-N 1 0 295.314 1.791 20 5 CDBDRO CN(C(=O)c1c(N)cccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000181122298 357316047 /nfs/dbraw/zinc/31/60/47/357316047.db2.gz OINYTOFSVZBJBG-JTQLQIEISA-N 1 0 292.339 1.343 20 5 CDBDRO COc1cc(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)ccc1[N+](=O)[O-] ZINC000261865214 357336213 /nfs/dbraw/zinc/33/62/13/357336213.db2.gz YFBFFLASRZCZDG-WPRPVWTQSA-N 1 0 279.296 1.165 20 5 CDBDRO O=C1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000566343502 357471137 /nfs/dbraw/zinc/47/11/37/357471137.db2.gz MOQUMKGWUOLONO-LBPRGKRZSA-N 1 0 289.335 1.695 20 5 CDBDRO COCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000161544739 363583272 /nfs/dbraw/zinc/58/32/72/363583272.db2.gz NHYBYQICPAWORE-UHFFFAOYSA-N 1 0 268.317 1.288 20 5 CDBDRO C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000157219589 357908356 /nfs/dbraw/zinc/90/83/56/357908356.db2.gz HHPSLHCLCJAWKH-GWCFXTLKSA-N 1 0 293.323 1.044 20 5 CDBDRO Nc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCCOCC2)c1 ZINC000193523546 358300683 /nfs/dbraw/zinc/30/06/83/358300683.db2.gz PZZNWEPPGHWQSX-UHFFFAOYSA-N 1 0 280.328 1.311 20 5 CDBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])o1 ZINC000294915127 199245539 /nfs/dbraw/zinc/24/55/39/199245539.db2.gz SPDZAXJBYIXYKU-VIFPVBQESA-N 1 0 267.285 1.450 20 5 CDBDRO CCOCC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000093312738 358599071 /nfs/dbraw/zinc/59/90/71/358599071.db2.gz ZTPAURLQMCTBEG-UHFFFAOYSA-N 1 0 295.339 1.892 20 5 CDBDRO O=C(NCC[NH+]1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000072790068 358683036 /nfs/dbraw/zinc/68/30/36/358683036.db2.gz ZVVCAFRQJOMPHO-UHFFFAOYSA-N 1 0 278.312 1.812 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000186871904 358834480 /nfs/dbraw/zinc/83/44/80/358834480.db2.gz VBWIPBJXCCVXTQ-ZANVPECISA-N 1 0 277.324 1.631 20 5 CDBDRO CN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000179074827 366514673 /nfs/dbraw/zinc/51/46/73/366514673.db2.gz XSGBYIOYFCPUTQ-MRVPVSSYSA-N 1 0 283.715 1.682 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H](O)C1CC1 ZINC000341173095 366520749 /nfs/dbraw/zinc/52/07/49/366520749.db2.gz ZOQDGRWYCDOWGY-MFBWXBCUSA-N 1 0 262.309 1.969 20 5 CDBDRO C[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[NH+](C)C ZINC000134222052 358961605 /nfs/dbraw/zinc/96/16/05/358961605.db2.gz KMVNUHWFAUWOCK-SECBINFHSA-N 1 0 292.339 1.842 20 5 CDBDRO C[C@H]1CSC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000352815746 358940887 /nfs/dbraw/zinc/94/08/87/358940887.db2.gz NFGRUSVZIFRBKZ-GXSJLCMTSA-N 1 0 283.353 1.098 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](CO)CC(C)(C)C ZINC000451779615 359080550 /nfs/dbraw/zinc/08/05/50/359080550.db2.gz LXIMECLVDCWSJL-LLVKDONJSA-N 1 0 284.360 1.520 20 5 CDBDRO COCC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(C)(C)C ZINC000338349316 359121325 /nfs/dbraw/zinc/12/13/25/359121325.db2.gz BWSFNOSQOKRHTM-NSHDSACASA-N 1 0 284.360 1.869 20 5 CDBDRO C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000054148178 359540024 /nfs/dbraw/zinc/54/00/24/359540024.db2.gz UKUMSJRCAHIOKR-UHFFFAOYSA-N 1 0 281.287 1.558 20 5 CDBDRO Cc1nc(NC[C@@H]2CC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC000297316286 200145474 /nfs/dbraw/zinc/14/54/74/200145474.db2.gz ZJPGKMDEOCQAJT-VIFPVBQESA-N 1 0 251.290 1.057 20 5 CDBDRO COc1cc(CN(C)[C@H]2CCNC2=O)c([N+](=O)[O-])cc1F ZINC000362320744 359760118 /nfs/dbraw/zinc/76/01/18/359760118.db2.gz MXSBGGGIUYGNLR-JTQLQIEISA-N 1 0 297.286 1.063 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000237818560 283515556 /nfs/dbraw/zinc/51/55/56/283515556.db2.gz XUCVIXAHKHVNJE-GHMZBOCLSA-N 1 0 292.339 1.250 20 5 CDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCC[C@H]1CCC[NH2+]1 ZINC000166679430 360214016 /nfs/dbraw/zinc/21/40/16/360214016.db2.gz XOWGOKVCOIZRNV-SBDDDAINSA-N 1 0 289.335 1.866 20 5 CDBDRO CC1(O)CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000177297856 189042506 /nfs/dbraw/zinc/04/25/06/189042506.db2.gz QLUADYOWZPQXHQ-UHFFFAOYSA-N 1 0 280.324 1.820 20 5 CDBDRO CS[C@@H]1CN(c2nc(C)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270375184 360458400 /nfs/dbraw/zinc/45/84/00/360458400.db2.gz NVVQYJXICAPWPL-NWDGAFQWSA-N 1 0 296.396 1.780 20 5 CDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000177942330 189080372 /nfs/dbraw/zinc/08/03/72/189080372.db2.gz IXPAHXYPYZFEDO-NSHDSACASA-N 1 0 292.339 1.123 20 5 CDBDRO C[C@@]1(O)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000178022056 189086194 /nfs/dbraw/zinc/08/61/94/189086194.db2.gz WCSHIARCNDYWKD-CQSZACIVSA-N 1 0 293.323 1.380 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)N2CC[NH+](C)CC2)n1 ZINC000178208054 189098020 /nfs/dbraw/zinc/09/80/20/189098020.db2.gz BKHAWNQCIGOVKN-GFCCVEGCSA-N 1 0 293.371 1.346 20 5 CDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000178344634 189108486 /nfs/dbraw/zinc/10/84/86/189108486.db2.gz VWZAKHINNCNAPL-LBPRGKRZSA-N 1 0 280.324 1.942 20 5 CDBDRO CC(C)(C)[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000178869230 189151563 /nfs/dbraw/zinc/15/15/63/189151563.db2.gz GARGQAGSIITDBI-RYUDHWBXSA-N 1 0 295.339 1.118 20 5 CDBDRO CCNC(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130891900 361017467 /nfs/dbraw/zinc/01/74/67/361017467.db2.gz VNFOGWZSZWYHHR-UHFFFAOYSA-N 1 0 277.324 1.695 20 5 CDBDRO Cc1ccc(C[N@@H+]2CC[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC000180188534 189242229 /nfs/dbraw/zinc/24/22/29/189242229.db2.gz PGDWRERCCIOIQE-CYBMUJFWSA-N 1 0 250.298 1.860 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000070075761 361236734 /nfs/dbraw/zinc/23/67/34/361236734.db2.gz BELLVBZRYAUGNK-QWRGUYRKSA-N 1 0 277.324 1.726 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000070075956 361238743 /nfs/dbraw/zinc/23/87/43/361238743.db2.gz GOLWEDCHKQFWOL-BYAJROORSA-N 1 0 289.335 1.817 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3ccsc3C2)n1 ZINC000132793643 361275306 /nfs/dbraw/zinc/27/53/06/361275306.db2.gz HRKXJQDNBYZFKK-UHFFFAOYSA-N 1 0 278.337 1.911 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[NH2+]C2CC2)c1 ZINC000237333416 361261238 /nfs/dbraw/zinc/26/12/38/361261238.db2.gz ACTQPROMEAFCTN-UHFFFAOYSA-N 1 0 295.364 1.799 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000367375610 361355448 /nfs/dbraw/zinc/35/54/48/361355448.db2.gz VIPIKRCQKVOZEK-RYUDHWBXSA-N 1 0 295.314 1.296 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000168703053 361392676 /nfs/dbraw/zinc/39/26/76/361392676.db2.gz XOEVYMLHSGLUCT-QWRGUYRKSA-N 1 0 277.324 1.713 20 5 CDBDRO Cc1nc(N(C)CC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000301648271 201114654 /nfs/dbraw/zinc/11/46/54/201114654.db2.gz OTTDPHLKEPJOAT-UHFFFAOYSA-N 1 0 264.329 1.830 20 5 CDBDRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000168164998 363967948 /nfs/dbraw/zinc/96/79/48/363967948.db2.gz RXROQIZOFQKTBH-XYZCENFISA-N 1 0 256.327 1.451 20 5 CDBDRO Cc1nc(N[C@H]2CC[N@H+](C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000582527514 364140519 /nfs/dbraw/zinc/14/05/19/364140519.db2.gz BWMBEOOBFXOPNO-SCZZXKLOSA-N 1 0 265.317 1.588 20 5 CDBDRO [NH3+]CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000019482705 364138316 /nfs/dbraw/zinc/13/83/16/364138316.db2.gz BHMRCEPRAVLMQK-UHFFFAOYSA-N 1 0 260.091 1.728 20 5 CDBDRO CN(CC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000103116429 364599280 /nfs/dbraw/zinc/59/92/80/364599280.db2.gz QBCSOZSPFODKQV-UHFFFAOYSA-N 1 0 295.314 1.902 20 5 CDBDRO Cc1cc(C)c(CNC(=O)Cn2ccc([N+](=O)[O-])n2)cn1 ZINC000456845500 364789365 /nfs/dbraw/zinc/78/93/65/364789365.db2.gz IOIKIBSRPKJTLY-UHFFFAOYSA-N 1 0 289.295 1.120 20 5 CDBDRO CN(CC1([NH+](C)C)CCC1)c1ncccc1[N+](=O)[O-] ZINC000275487549 193056523 /nfs/dbraw/zinc/05/65/23/193056523.db2.gz QRKMWSDMHSXBKU-UHFFFAOYSA-N 1 0 264.329 1.910 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)CSC ZINC000570444344 294239090 /nfs/dbraw/zinc/23/90/90/294239090.db2.gz PBMVEJYGTAVVJF-NSHDSACASA-N 1 0 286.353 1.417 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCC(CO)CC1 ZINC000089924473 366967698 /nfs/dbraw/zinc/96/76/98/366967698.db2.gz IHLGKGBDFKWAHR-UHFFFAOYSA-N 1 0 282.344 1.274 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000414653225 241302094 /nfs/dbraw/zinc/30/20/94/241302094.db2.gz DYLOBOLGZYOIFN-SECBINFHSA-N 1 0 264.285 1.468 20 5 CDBDRO Cc1ccc(NC(=O)NCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000414654615 241302952 /nfs/dbraw/zinc/30/29/52/241302952.db2.gz GHTCFWOGCHERRV-UHFFFAOYSA-N 1 0 278.312 1.906 20 5 CDBDRO C[NH2+]CCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000414714524 241347935 /nfs/dbraw/zinc/34/79/35/241347935.db2.gz VVFYWOGIIZEKRU-UHFFFAOYSA-N 1 0 252.274 1.244 20 5 CDBDRO C[N@H+]1CC=C(CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000271954147 367042037 /nfs/dbraw/zinc/04/20/37/367042037.db2.gz YECNAFPRJUTNTI-UHFFFAOYSA-N 1 0 265.269 1.180 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000417203138 242356617 /nfs/dbraw/zinc/35/66/17/242356617.db2.gz YHMFYRVVJFUSOY-JTQLQIEISA-N 1 0 296.327 1.140 20 5 CDBDRO C[NH2+]CCCNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000417201028 242357384 /nfs/dbraw/zinc/35/73/84/242357384.db2.gz VLKMKNQLQAMJMF-UHFFFAOYSA-N 1 0 296.327 1.012 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417221264 242364823 /nfs/dbraw/zinc/36/48/23/242364823.db2.gz CPJHQEMAFGUSFD-NSHDSACASA-N 1 0 294.355 1.564 20 5 CDBDRO Cc1ccc(NC(=O)N2CC([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000272295353 367673679 /nfs/dbraw/zinc/67/36/79/367673679.db2.gz CGMYOEJKGNYXGN-UHFFFAOYSA-N 1 0 278.312 1.681 20 5 CDBDRO C[NH+](C)C(C)(C)CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272540009 367750517 /nfs/dbraw/zinc/75/05/17/367750517.db2.gz XWHNUNAPEMCVMX-UHFFFAOYSA-N 1 0 280.328 1.247 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000418414615 243048441 /nfs/dbraw/zinc/04/84/41/243048441.db2.gz SYCSHRGQHYHFMH-LBPRGKRZSA-N 1 0 294.355 1.720 20 5 CDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCCC[NH3+] ZINC000418517425 243169332 /nfs/dbraw/zinc/16/93/32/243169332.db2.gz ZGOSBDRRYOAKHH-UHFFFAOYSA-N 1 0 294.355 1.518 20 5 CDBDRO COc1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000089091435 368826498 /nfs/dbraw/zinc/82/64/98/368826498.db2.gz WRHBMPDNRKPJTN-MNOVXSKESA-N 1 0 293.323 1.461 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000089091441 368827595 /nfs/dbraw/zinc/82/75/95/368827595.db2.gz KMHVDCRDACQAFO-KWQFWETISA-N 1 0 281.287 1.591 20 5 CDBDRO CC(C)(C)[C@H](CN)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000420354957 244133292 /nfs/dbraw/zinc/13/32/92/244133292.db2.gz DRROPLAFWWCILZ-ZDUSSCGKSA-N 1 0 281.356 1.937 20 5 CDBDRO C[C@@H](C[NH3+])CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000414872403 370964021 /nfs/dbraw/zinc/96/40/21/370964021.db2.gz FYIBEYYWWOXJPC-QMMMGPOBSA-N 1 0 257.721 1.933 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000295276013 369844265 /nfs/dbraw/zinc/84/42/65/369844265.db2.gz SJVBSTYJKULXNS-MRVPVSSYSA-N 1 0 267.285 1.071 20 5 CDBDRO C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000026342636 370228996 /nfs/dbraw/zinc/22/89/96/370228996.db2.gz OOLSWCLDCOMJGA-NSHDSACASA-N 1 0 293.323 1.644 20 5 CDBDRO C[C@H]([NH2+]C1CC1)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000295612786 370522611 /nfs/dbraw/zinc/52/26/11/370522611.db2.gz GLOWPDGYXNSLEX-ZETCQYMHSA-N 1 0 289.295 1.550 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000422827011 245303686 /nfs/dbraw/zinc/30/36/86/245303686.db2.gz MKMBEIBYRWKZEH-JTQLQIEISA-N 1 0 279.340 1.417 20 5 CDBDRO C[NH+](C)CCCNC(=O)CSc1ncccc1[N+](=O)[O-] ZINC000179802898 372307977 /nfs/dbraw/zinc/30/79/77/372307977.db2.gz ICWQMMUBDASNPL-UHFFFAOYSA-N 1 0 298.368 1.150 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000026579415 373093642 /nfs/dbraw/zinc/09/36/42/373093642.db2.gz FKUBYYORONCDIQ-SNVBAGLBSA-N 1 0 272.308 1.941 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368374570 373832922 /nfs/dbraw/zinc/83/29/22/373832922.db2.gz IOVRGBNQMLVAQY-CYBMUJFWSA-N 1 0 289.335 1.396 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000168942299 373842323 /nfs/dbraw/zinc/84/23/23/373842323.db2.gz IHTASLDXKBSOAY-ZETCQYMHSA-N 1 0 269.330 1.666 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCC[NH2+]C1 ZINC000091554628 374034538 /nfs/dbraw/zinc/03/45/38/374034538.db2.gz NTLHLONECYVWJP-JTQLQIEISA-N 1 0 267.333 1.531 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000417980153 374255542 /nfs/dbraw/zinc/25/55/42/374255542.db2.gz JZEHICWSUDSIMR-NXEZZACHSA-N 1 0 280.328 1.692 20 5 CDBDRO C[NH2+]CCCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418234755 374259289 /nfs/dbraw/zinc/25/92/89/374259289.db2.gz RAGPUNCMPMTPOV-JTQLQIEISA-N 1 0 280.328 1.565 20 5 CDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000225346244 374242842 /nfs/dbraw/zinc/24/28/42/374242842.db2.gz JPLDWNUPXYCMJM-JTQLQIEISA-N 1 0 298.774 1.906 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[NH2+]CC2)c1 ZINC000369946128 374370626 /nfs/dbraw/zinc/37/06/26/374370626.db2.gz QFQBFWSOVWAQEM-SNVBAGLBSA-N 1 0 293.323 1.475 20 5 CDBDRO CN(CC[NH3+])C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000424011511 374399597 /nfs/dbraw/zinc/39/95/97/374399597.db2.gz QRSPJMFIYSTNMJ-UHFFFAOYSA-N 1 0 279.340 1.923 20 5 CDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000423951084 246247336 /nfs/dbraw/zinc/24/73/36/246247336.db2.gz OSHIPWHCWWZJNK-GFCCVEGCSA-N 1 0 295.339 1.463 20 5 CDBDRO O=c1c([N+](=O)[O-])cc(Cl)cn1CCC[NH+]1CCCC1 ZINC000277838302 193773639 /nfs/dbraw/zinc/77/36/39/193773639.db2.gz ZEUZGXWYPUOFHC-UHFFFAOYSA-N 1 0 285.731 1.896 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000424028141 246296777 /nfs/dbraw/zinc/29/67/77/246296777.db2.gz CMAROFZCNLHWRK-UHFFFAOYSA-N 1 0 279.340 1.595 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000070078500 374646605 /nfs/dbraw/zinc/64/66/05/374646605.db2.gz IMGQZZYXRDFGNG-GHMZBOCLSA-N 1 0 279.340 1.786 20 5 CDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)CN(C)C ZINC000154393000 374700094 /nfs/dbraw/zinc/70/00/94/374700094.db2.gz MPPDUWPLIJBVGR-JSGCOSHPSA-N 1 0 295.383 1.428 20 5 CDBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](O)CO)o1 ZINC000276708776 374743841 /nfs/dbraw/zinc/74/38/41/374743841.db2.gz GIYSPZIMPICJPT-JTQLQIEISA-N 1 0 292.291 1.298 20 5 CDBDRO CC[C@@H]1CCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000330572385 374866531 /nfs/dbraw/zinc/86/65/31/374866531.db2.gz NHTFQHIVOILPFX-ZYHUDNBSSA-N 1 0 252.318 1.960 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](S(N)(=O)=O)C1 ZINC000330623975 374868017 /nfs/dbraw/zinc/86/80/17/374868017.db2.gz FRFXYRHASPXAEN-NXEZZACHSA-N 1 0 299.352 1.019 20 5 CDBDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000280421228 374995799 /nfs/dbraw/zinc/99/57/99/374995799.db2.gz ZEYAEPPMFGPVAS-CYBMUJFWSA-N 1 0 281.287 1.431 20 5 CDBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1[NH+](C)C ZINC000332665151 375040790 /nfs/dbraw/zinc/04/07/90/375040790.db2.gz PPPBGFPXTZUZCG-GHMZBOCLSA-N 1 0 298.368 1.041 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000162145945 375282384 /nfs/dbraw/zinc/28/23/84/375282384.db2.gz NEDVTTXCHUJXIT-GHMZBOCLSA-N 1 0 292.339 1.393 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000131879253 375371141 /nfs/dbraw/zinc/37/11/41/375371141.db2.gz PHJKBDQIRPPUPP-MNOVXSKESA-N 1 0 277.324 1.713 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[NH2+]CC1 ZINC000237810569 375403260 /nfs/dbraw/zinc/40/32/60/375403260.db2.gz RLCMDEUYTSSKDR-UHFFFAOYSA-N 1 0 283.715 1.684 20 5 CDBDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000227147529 375451855 /nfs/dbraw/zinc/45/18/55/375451855.db2.gz IVAGDLIFYGTODH-SMDDNHRTSA-N 1 0 280.324 1.267 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000493450405 375454434 /nfs/dbraw/zinc/45/44/34/375454434.db2.gz LGGXBQDDOSEDCP-FBOQAHMBSA-N 1 0 277.324 1.674 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000129438514 375563435 /nfs/dbraw/zinc/56/34/35/375563435.db2.gz LCVYIGJQRVOSFB-SECBINFHSA-N 1 0 266.301 1.572 20 5 CDBDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000353439576 375609676 /nfs/dbraw/zinc/60/96/76/375609676.db2.gz MMELXXIVHDALNL-ZANVPECISA-N 1 0 295.339 1.593 20 5 CDBDRO Cc1c(CN2CCO[C@@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000228138957 375700540 /nfs/dbraw/zinc/70/05/40/375700540.db2.gz DDGSAYPFRGSENG-SMDDNHRTSA-N 1 0 279.340 1.451 20 5 CDBDRO [NH3+]C[C@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000428521293 247320591 /nfs/dbraw/zinc/32/05/91/247320591.db2.gz ITWIRYNHAZHRGK-LLVKDONJSA-N 1 0 293.323 1.171 20 5 CDBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)C1 ZINC000356278703 375831587 /nfs/dbraw/zinc/83/15/87/375831587.db2.gz JRULTIDTFOBFBF-AWEZNQCLSA-N 1 0 292.339 1.481 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC3(C2)OCCO3)cc1 ZINC000134068293 375899045 /nfs/dbraw/zinc/89/90/45/375899045.db2.gz ASHVJWXGCYZXJD-UHFFFAOYSA-N 1 0 292.335 1.976 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000357407156 375904507 /nfs/dbraw/zinc/90/45/07/375904507.db2.gz DYAPPCJGXUHVGK-SKDRFNHKSA-N 1 0 295.314 1.946 20 5 CDBDRO C[N@@H+]1CC[C@@](O)(CNC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000358114225 375952138 /nfs/dbraw/zinc/95/21/38/375952138.db2.gz FVCPUXXGOYWNHZ-CSPWOOARSA-N 1 0 291.351 1.264 20 5 CDBDRO CN(CC[NH+](C)C)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000347459732 376164918 /nfs/dbraw/zinc/16/49/18/376164918.db2.gz GGMCCMORLMYMHQ-UHFFFAOYSA-N 1 0 275.312 1.536 20 5 CDBDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000188507063 376329612 /nfs/dbraw/zinc/32/96/12/376329612.db2.gz QBLYQWUSTPAWFD-JTQLQIEISA-N 1 0 295.339 1.560 20 5 CDBDRO CC[N@@H+]1CC[C@H](N(C)c2c([N+](=O)[O-])ncn2C)C[C@@H]1C ZINC000354354677 376330791 /nfs/dbraw/zinc/33/07/91/376330791.db2.gz VJCWINZSZZDHMN-QWRGUYRKSA-N 1 0 281.360 1.637 20 5 CDBDRO Cc1nc(NCC[NH+]2CCC(C)CC2)ncc1[N+](=O)[O-] ZINC000296535088 376364096 /nfs/dbraw/zinc/36/40/96/376364096.db2.gz NNNUPYAUBBEJBN-UHFFFAOYSA-N 1 0 279.344 1.837 20 5 CDBDRO C[NH+](C)C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000267070476 376799087 /nfs/dbraw/zinc/79/90/87/376799087.db2.gz VTPHGSZYSFQVSN-CYBMUJFWSA-N 1 0 297.330 1.496 20 5 CDBDRO Cc1nc(NCC23CCC[NH+]2CCC3)ncc1[N+](=O)[O-] ZINC000296710505 377881426 /nfs/dbraw/zinc/88/14/26/377881426.db2.gz GMCQHMIVQLFKRK-UHFFFAOYSA-N 1 0 277.328 1.734 20 5 CDBDRO CCc1nn(C)c(N[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000091562364 377896500 /nfs/dbraw/zinc/89/65/00/377896500.db2.gz KRKVXTKMQJGTPP-QMMMGPOBSA-N 1 0 253.306 1.055 20 5 CDBDRO C[NH2+]C[C@@H](C)CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000129586669 378419274 /nfs/dbraw/zinc/41/92/74/378419274.db2.gz JWFBPUMPOBDOON-MRVPVSSYSA-N 1 0 263.301 1.739 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173747724 379048814 /nfs/dbraw/zinc/04/88/14/379048814.db2.gz XGYLHCMYUGPJIC-ZDUSSCGKSA-N 1 0 291.351 1.547 20 5 CDBDRO NC(=O)C[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000175228592 379668186 /nfs/dbraw/zinc/66/81/86/379668186.db2.gz OKTGFDWPQBVSPP-NSHDSACASA-N 1 0 277.324 1.682 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000449590552 250919700 /nfs/dbraw/zinc/91/97/00/250919700.db2.gz LICUCDBVOKFFTC-BDAKNGLRSA-N 1 0 292.339 1.635 20 5 CDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000449710625 250979940 /nfs/dbraw/zinc/97/99/40/250979940.db2.gz BGJCDGOXMLYQGZ-WDEREUQCSA-N 1 0 293.323 1.217 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280930914 195034900 /nfs/dbraw/zinc/03/49/00/195034900.db2.gz VDQZTSIEPNBHIX-IUODEOHRSA-N 1 0 289.335 1.601 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261604486 285092491 /nfs/dbraw/zinc/09/24/91/285092491.db2.gz RDIIJGBMBLQQPS-IUCAKERBSA-N 1 0 282.731 1.689 20 5 CDBDRO [NH3+]C1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000493118383 253374731 /nfs/dbraw/zinc/37/47/31/253374731.db2.gz FJQZQEDMLGXROB-RQOWECAXSA-N 1 0 293.298 1.697 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1N1CCC([NH2+]CCO)CC1 ZINC000286537413 285156018 /nfs/dbraw/zinc/15/60/18/285156018.db2.gz PGXFIDLXBJXYOC-UHFFFAOYSA-N 1 0 283.303 1.285 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000163242428 390179832 /nfs/dbraw/zinc/17/98/32/390179832.db2.gz MADAVFSBTRAPQG-SCZZXKLOSA-N 1 0 255.343 1.825 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000150271723 390478175 /nfs/dbraw/zinc/47/81/75/390478175.db2.gz SZMOTOJJAFTTMY-GFCCVEGCSA-N 1 0 279.340 1.771 20 5 CDBDRO O=C(CC[N@@H+]1CC[C@H](F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000451186922 390603180 /nfs/dbraw/zinc/60/31/80/390603180.db2.gz CCACGYFJCHRTQX-JTQLQIEISA-N 1 0 281.287 1.967 20 5 CDBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1COC1 ZINC000451284707 390610072 /nfs/dbraw/zinc/61/00/72/390610072.db2.gz LKEYVDMBDKVMFR-UHFFFAOYSA-N 1 0 250.298 1.858 20 5 CDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000127805455 390797160 /nfs/dbraw/zinc/79/71/60/390797160.db2.gz HPSRZNFHBWSWOJ-GFCCVEGCSA-N 1 0 291.351 1.975 20 5 CDBDRO C[C@](C[NH3+])(NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000127291911 390823392 /nfs/dbraw/zinc/82/33/92/390823392.db2.gz ZEHLFTXLXYLWCY-SBJJXXPASA-N 1 0 289.335 1.852 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000449639024 391122657 /nfs/dbraw/zinc/12/26/57/391122657.db2.gz NNCIOAVRLUPNGM-UWVGGRQHSA-N 1 0 295.314 1.981 20 5 CDBDRO CN1C[C@H](C[N@H+](C)CCc2ccccc2[N+](=O)[O-])OC1=O ZINC000495790730 391122882 /nfs/dbraw/zinc/12/28/82/391122882.db2.gz ATOZWAXLHPVJRW-LBPRGKRZSA-N 1 0 293.323 1.520 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415068796 391254076 /nfs/dbraw/zinc/25/40/76/391254076.db2.gz WMKRCZVEHOCRDN-WKVNLHPKSA-N 1 0 259.309 1.415 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000519709227 391204190 /nfs/dbraw/zinc/20/41/90/391204190.db2.gz RIBFBTJWWPMBHJ-NKWVEPMBSA-N 1 0 284.291 1.172 20 5 CDBDRO C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000365824501 391281910 /nfs/dbraw/zinc/28/19/10/391281910.db2.gz HTAAJAGCQGHRAA-VXGBXAGGSA-N 1 0 281.356 1.129 20 5 CDBDRO CC[C@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000105790736 391335502 /nfs/dbraw/zinc/33/55/02/391335502.db2.gz BJDZNDDFDMBTQX-NEPJUHHUSA-N 1 0 294.355 1.271 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@@H+](CC2(CO)COC2)C2CC2)cc1 ZINC000305700804 391356898 /nfs/dbraw/zinc/35/68/98/391356898.db2.gz CWUVUFVPLIYUQK-UHFFFAOYSA-N 1 0 292.335 1.568 20 5 CDBDRO Cc1nn(C)c(NCC[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000110798430 391360619 /nfs/dbraw/zinc/36/06/19/391360619.db2.gz DXEIDUFTCNSACZ-VIFPVBQESA-N 1 0 253.306 1.048 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[NH2+]C ZINC000415756708 391471402 /nfs/dbraw/zinc/47/14/02/391471402.db2.gz FGRISMUIKAKBHC-UHFFFAOYSA-N 1 0 280.328 1.840 20 5 CDBDRO Cc1cc(NCC2([NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000397976132 391638107 /nfs/dbraw/zinc/63/81/07/391638107.db2.gz OYQSPIVAKAFDHQ-UHFFFAOYSA-N 1 0 250.302 1.804 20 5 CDBDRO Cc1ccc(NC[C@@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000358351341 391592159 /nfs/dbraw/zinc/59/21/59/391592159.db2.gz LXKIVCQVVUVOCA-ZDUSSCGKSA-N 1 0 265.313 1.382 20 5 CDBDRO COCCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000189648182 130004063 /nfs/dbraw/zinc/00/40/63/130004063.db2.gz MORVNOKYPVPVBK-CQSZACIVSA-N 1 0 280.324 1.832 20 5 CDBDRO [NH3+]C1(CNCc2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000342135719 130293748 /nfs/dbraw/zinc/29/37/48/130293748.db2.gz LDBZGCRIMNRTEE-UHFFFAOYSA-N 1 0 253.277 1.705 20 5 CDBDRO Cc1c(C(=O)N2CC[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC000054369802 391841462 /nfs/dbraw/zinc/84/14/62/391841462.db2.gz DTLORXUCOINBOG-SECBINFHSA-N 1 0 263.297 1.337 20 5 CDBDRO COC[C@H](O)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449205107 392122858 /nfs/dbraw/zinc/12/28/58/392122858.db2.gz KXGUPLLSWYZNSB-WCQYABFASA-N 1 0 282.340 1.513 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000237438612 131031355 /nfs/dbraw/zinc/03/13/55/131031355.db2.gz HDQORRILFKWLFI-PWSUYJOCSA-N 1 0 277.324 1.690 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)CC[NH3+])cc1[N+](=O)[O-] ZINC000237561948 131041855 /nfs/dbraw/zinc/04/18/55/131041855.db2.gz LDINIYLFYUBCDE-SECBINFHSA-N 1 0 251.286 1.429 20 5 CDBDRO Cc1cc(C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000262809854 131263566 /nfs/dbraw/zinc/26/35/66/131263566.db2.gz QYNHUCJXYWEYEK-MNOVXSKESA-N 1 0 277.324 1.726 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000262821131 131264280 /nfs/dbraw/zinc/26/42/80/131264280.db2.gz POBYAODLLSZJOH-LDYMZIIASA-N 1 0 297.742 1.976 20 5 CDBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000549186052 392543645 /nfs/dbraw/zinc/54/36/45/392543645.db2.gz WWMJURWAPRMXEZ-JTQLQIEISA-N 1 0 293.327 1.018 20 5 CDBDRO O=[N+]([O-])c1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)cc1OC(F)F ZINC000420244225 392913774 /nfs/dbraw/zinc/91/37/74/392913774.db2.gz OXHRGWMIGHNBMT-DTORHVGOSA-N 1 0 299.277 1.852 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000268836150 132073640 /nfs/dbraw/zinc/07/36/40/132073640.db2.gz NQGDFGSMBWCORZ-ZYHUDNBSSA-N 1 0 277.324 1.785 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000269217165 132134410 /nfs/dbraw/zinc/13/44/10/132134410.db2.gz RCXDAYBKFFXMHN-SECBINFHSA-N 1 0 297.742 1.978 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000421700274 392942708 /nfs/dbraw/zinc/94/27/08/392942708.db2.gz DNPWFQMHQVZBIB-CYBMUJFWSA-N 1 0 291.351 1.690 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000421701431 392943013 /nfs/dbraw/zinc/94/30/13/392943013.db2.gz HOMRAKPQOPPGCB-JTQLQIEISA-N 1 0 283.353 1.823 20 5 CDBDRO COCC[NH2+]CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423321181 392960067 /nfs/dbraw/zinc/96/00/67/392960067.db2.gz MXLSWZCJICYLMA-GFCCVEGCSA-N 1 0 281.356 1.790 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000423589328 392964575 /nfs/dbraw/zinc/96/45/75/392964575.db2.gz HEWMSXYLTKCLGP-YPMHNXCESA-N 1 0 291.351 1.939 20 5 CDBDRO CN(CC[NH3+])C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000424011153 392968611 /nfs/dbraw/zinc/96/86/11/392968611.db2.gz QCQVKFBWRGWHTC-UHFFFAOYSA-N 1 0 291.229 1.644 20 5 CDBDRO CC[C@@]1(O)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000425913396 393031570 /nfs/dbraw/zinc/03/15/70/393031570.db2.gz GHWVQVHQAWFBAX-CYBMUJFWSA-N 1 0 250.298 1.942 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000430196243 393090479 /nfs/dbraw/zinc/09/04/79/393090479.db2.gz QQVNTNVHNOMATO-SNVBAGLBSA-N 1 0 266.297 1.418 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000430221503 393092731 /nfs/dbraw/zinc/09/27/31/393092731.db2.gz RHBIOKJIPQNTBX-WDEREUQCSA-N 1 0 280.324 1.806 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]1C[NH3+] ZINC000430577784 393101305 /nfs/dbraw/zinc/10/13/05/393101305.db2.gz VGPQFCWEZHZGIP-NSHDSACASA-N 1 0 292.339 1.265 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000430612216 393102671 /nfs/dbraw/zinc/10/26/71/393102671.db2.gz QSKHCCYWCGFWEW-ZDUSSCGKSA-N 1 0 279.340 1.787 20 5 CDBDRO Cc1nc(N2CCC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000124099051 393118439 /nfs/dbraw/zinc/11/84/39/393118439.db2.gz ORYLCFWLWHTGIB-SNVBAGLBSA-N 1 0 250.302 1.473 20 5 CDBDRO COCCN(C)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449113439 393129067 /nfs/dbraw/zinc/12/90/67/393129067.db2.gz WARRJMSOGHRXGI-CYBMUJFWSA-N 1 0 295.383 1.694 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC1 ZINC000449196220 393132209 /nfs/dbraw/zinc/13/22/09/393132209.db2.gz WXXHJABZYPKJTF-CMPLNLGQSA-N 1 0 250.298 1.904 20 5 CDBDRO COCC[C@H](CO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449302173 393133168 /nfs/dbraw/zinc/13/31/68/393133168.db2.gz JKLOATFKWQOLHT-WCQYABFASA-N 1 0 282.340 1.513 20 5 CDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCC1=CC[NH2+]CC1 ZINC000186313673 140058446 /nfs/dbraw/zinc/05/84/46/140058446.db2.gz OUAFTFUYASWNSV-UHFFFAOYSA-N 1 0 291.307 1.010 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000229590487 140202600 /nfs/dbraw/zinc/20/26/00/140202600.db2.gz HTZYTSMAWIATAK-BXKDBHETSA-N 1 0 278.312 1.857 20 5 CDBDRO Cc1c(CNC(=O)[C@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000231856415 140219973 /nfs/dbraw/zinc/21/99/73/140219973.db2.gz SUSKRRUXCDWNDK-GFCCVEGCSA-N 1 0 277.324 1.662 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000237640346 140256898 /nfs/dbraw/zinc/25/68/98/140256898.db2.gz XILPLYGVSAZDQG-IUCAKERBSA-N 1 0 278.312 1.121 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000261582606 140355468 /nfs/dbraw/zinc/35/54/68/140355468.db2.gz GRVZMGGSBFZKGL-JOYOIKCWSA-N 1 0 263.297 1.465 20 5 CDBDRO O=[N+]([O-])c1cc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000261585863 140356652 /nfs/dbraw/zinc/35/66/52/140356652.db2.gz UAAHJYOMHBHWFT-MNOVXSKESA-N 1 0 267.354 1.698 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261588744 140358263 /nfs/dbraw/zinc/35/82/63/140358263.db2.gz KINUSMFNXNLMBS-VXGBXAGGSA-N 1 0 261.325 1.949 20 5 CDBDRO C[C@H]([NH3+])CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000261877554 140402590 /nfs/dbraw/zinc/40/25/90/140402590.db2.gz SKUZGUURXAXIEJ-LURJTMIESA-N 1 0 263.257 1.147 20 5 CDBDRO C[NH2+]CCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000262563198 140429298 /nfs/dbraw/zinc/42/92/98/140429298.db2.gz RARNCPUFGIVQPB-UHFFFAOYSA-N 1 0 263.297 1.089 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](C)CC[C@@H]1C ZINC000360903020 397901319 /nfs/dbraw/zinc/90/13/19/397901319.db2.gz AUECSSFOEVOHMK-JTQLQIEISA-N 1 0 281.360 1.650 20 5 CDBDRO C[C@H]1OCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000120997214 147356054 /nfs/dbraw/zinc/35/60/54/147356054.db2.gz DVWMANHUKAVPMI-MFKMUULPSA-N 1 0 250.298 1.904 20 5 CDBDRO CO[C@H](C)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000182339085 148255547 /nfs/dbraw/zinc/25/55/47/148255547.db2.gz LACBIKVMHQCCDF-MNOVXSKESA-N 1 0 280.328 1.511 20 5 CDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NCC1C[NH2+]C1 ZINC000261926252 148988675 /nfs/dbraw/zinc/98/86/75/148988675.db2.gz BFCZERYVVWJLJM-UHFFFAOYSA-N 1 0 281.337 1.023 20 5 CDBDRO COCC[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000311471641 149214171 /nfs/dbraw/zinc/21/41/71/149214171.db2.gz YOBVGKOHTYYOIH-SNVBAGLBSA-N 1 0 272.276 1.221 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]2CCO)cc1 ZINC000311456245 149214507 /nfs/dbraw/zinc/21/45/07/149214507.db2.gz DPCBXUGJRWGWOT-ZDUSSCGKSA-N 1 0 264.325 1.984 20 5 CDBDRO O=C1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H]2CCCCN12 ZINC000314010464 149250975 /nfs/dbraw/zinc/25/09/75/149250975.db2.gz FFVNWECHTPNZHU-JSGCOSHPSA-N 1 0 289.335 1.838 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000322660528 149262613 /nfs/dbraw/zinc/26/26/13/149262613.db2.gz CQAAHXJMMOSUMH-SECBINFHSA-N 1 0 265.313 1.517 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCCC[C@@H]1CC[NH3+] ZINC000352503657 155232497 /nfs/dbraw/zinc/23/24/97/155232497.db2.gz IPRWEXBMBXJXOG-SNVBAGLBSA-N 1 0 267.333 1.032 20 5 CDBDRO COc1cc(C[NH2+][C@@H](C(N)=O)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000352525128 155250918 /nfs/dbraw/zinc/25/09/18/155250918.db2.gz DVJNEWBRMAOCSG-LBPRGKRZSA-N 1 0 295.339 1.593 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000336788089 151707649 /nfs/dbraw/zinc/70/76/49/151707649.db2.gz GMZUXZBPTBMIDU-ZETCQYMHSA-N 1 0 271.704 1.715 20 5 CDBDRO Cn1c(C(=O)NC(C)(C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000336814847 151721259 /nfs/dbraw/zinc/72/12/59/151721259.db2.gz GOBKEZHXSHZDGK-UHFFFAOYSA-N 1 0 268.317 1.181 20 5 CDBDRO C[C@H](CC(N)=O)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000343097392 152029659 /nfs/dbraw/zinc/02/96/59/152029659.db2.gz PQZQFJXNMIUXAH-ZWNOBZJWSA-N 1 0 291.351 1.769 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCCN1CCSC[C@@H]1CO ZINC000343716595 152276736 /nfs/dbraw/zinc/27/67/36/152276736.db2.gz BEYSZXDVYSUXRE-NSHDSACASA-N 1 0 298.364 1.383 20 5 CDBDRO COC[C@H](O)CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344787250 152644570 /nfs/dbraw/zinc/64/45/70/152644570.db2.gz DDHOBFAQAAIHMO-LDCOFTPGSA-N 1 0 294.351 1.985 20 5 CDBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCC[C@H]1O ZINC000352697332 155372786 /nfs/dbraw/zinc/37/27/86/155372786.db2.gz KYLULUTZOZMWOK-CHWSQXEVSA-N 1 0 290.323 1.816 20 5 CDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH3+])C1 ZINC000346080472 153045308 /nfs/dbraw/zinc/04/53/08/153045308.db2.gz DAJBCWCJVXYGCW-QWRGUYRKSA-N 1 0 292.339 1.345 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN2C(=O)CC[C@H]2C1 ZINC000346457524 153195238 /nfs/dbraw/zinc/19/52/38/153195238.db2.gz OTQXLZOYJRIFOC-RYUDHWBXSA-N 1 0 289.335 1.962 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)C1CCOCC1 ZINC000350392103 154372958 /nfs/dbraw/zinc/37/29/58/154372958.db2.gz NQGLTXZMVNTOGZ-HNNXBMFYSA-N 1 0 294.351 1.780 20 5 CDBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C[C@H](C)O ZINC000352220952 155031709 /nfs/dbraw/zinc/03/17/09/155031709.db2.gz KKFGNKFNRJKSPG-JTQLQIEISA-N 1 0 268.313 1.806 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1CC[C@@H](n2cncn2)C1 ZINC000375321685 160366892 /nfs/dbraw/zinc/36/68/92/160366892.db2.gz WYTVHJNVJAMXJC-GFCCVEGCSA-N 1 0 273.296 1.633 20 5 CDBDRO COc1ccc(C[NH2+]C[C@H]2CC[C@H](CO)O2)cc1[N+](=O)[O-] ZINC000353702655 156024277 /nfs/dbraw/zinc/02/42/77/156024277.db2.gz JYTBYIAQYDHDBA-VXGBXAGGSA-N 1 0 296.323 1.233 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000358913463 158070195 /nfs/dbraw/zinc/07/01/95/158070195.db2.gz DTSBFOJQEMLIMF-GFCCVEGCSA-N 1 0 295.387 1.896 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)ccc1[N+](=O)[O-] ZINC000373053519 160168766 /nfs/dbraw/zinc/16/87/66/160168766.db2.gz FRVRWAXCYJIBPN-WCQYABFASA-N 1 0 289.335 1.727 20 5 CDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000374303201 160272169 /nfs/dbraw/zinc/27/21/69/160272169.db2.gz SNUTXBXMPLCPIH-GFCCVEGCSA-N 1 0 289.335 1.926 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000374360249 160277977 /nfs/dbraw/zinc/27/79/77/160277977.db2.gz OTVHXKCOLONHHX-GFCCVEGCSA-N 1 0 294.355 1.577 20 5 CDBDRO CCNC(=O)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000035136203 172003497 /nfs/dbraw/zinc/00/34/97/172003497.db2.gz FBFAHVPJUGDCTK-VIFPVBQESA-N 1 0 251.286 1.209 20 5 CDBDRO Cc1c(C[N@@H+](C)[C@@H]2COC[C@H]2O)cccc1[N+](=O)[O-] ZINC000285395572 196271600 /nfs/dbraw/zinc/27/16/00/196271600.db2.gz CFXQYOJAAWSDSV-CHWSQXEVSA-N 1 0 266.297 1.095 20 5 CDBDRO Cc1c(C(=O)NC2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000037116528 172967568 /nfs/dbraw/zinc/96/75/68/172967568.db2.gz HEKUVHPNEYJAKX-UHFFFAOYSA-N 1 0 263.297 1.385 20 5 CDBDRO O=[N+]([O-])c1nn(CC2CC[NH2+]CC2)cc1Br ZINC000043497901 175057964 /nfs/dbraw/zinc/05/79/64/175057964.db2.gz BFGHCXDPBICFFX-UHFFFAOYSA-N 1 0 289.133 1.553 20 5 CDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000044492374 175181025 /nfs/dbraw/zinc/18/10/25/175181025.db2.gz GCVBVUAWCANTKW-NSHDSACASA-N 1 0 278.312 1.858 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000044541457 175201394 /nfs/dbraw/zinc/20/13/94/175201394.db2.gz ITNFPTUSZGDSDS-LBPRGKRZSA-N 1 0 277.324 1.477 20 5 CDBDRO Cc1ccnc(NCC[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000070496689 175957409 /nfs/dbraw/zinc/95/74/09/175957409.db2.gz LUCWAYQTRAFNEK-SNVBAGLBSA-N 1 0 250.302 1.710 20 5 CDBDRO Cc1c(CNC(=O)N[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000418076133 228010267 /nfs/dbraw/zinc/01/02/67/228010267.db2.gz FZKKRWGVWFOVBB-LLVKDONJSA-N 1 0 278.312 1.064 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000313289304 260279220 /nfs/dbraw/zinc/27/92/20/260279220.db2.gz FMWHRSGGFNUIIH-SKVAFPRGSA-N 1 0 277.324 1.852 20 5 CDBDRO C[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000525748643 262094638 /nfs/dbraw/zinc/09/46/38/262094638.db2.gz UFKJBTAUDKMUTD-LBPRGKRZSA-N 1 0 291.351 1.738 20 5 CDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC[NH2+]1 ZINC000237995072 424559576 /nfs/dbraw/zinc/55/95/76/424559576.db2.gz QHLZQUQTGDCZKV-NSHDSACASA-N 1 0 293.323 1.232 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@](C)(C[NH3+])C2)c1 ZINC000261584208 274118466 /nfs/dbraw/zinc/11/84/66/274118466.db2.gz HSDANJNYTZGKGN-CYBMUJFWSA-N 1 0 265.313 1.779 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000357830683 274254993 /nfs/dbraw/zinc/25/49/93/274254993.db2.gz FGEHLWWQUFOUJH-NWDGAFQWSA-N 1 0 293.367 1.982 20 5 CDBDRO Cc1nc(N2CC[C@@H]([NH3+])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000124161713 274841860 /nfs/dbraw/zinc/84/18/60/274841860.db2.gz PXMHRVJNYPCZDL-PSASIEDQSA-N 1 0 250.302 1.472 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]21 ZINC000230068717 274958082 /nfs/dbraw/zinc/95/80/82/274958082.db2.gz MSKOMYPYVMPYBK-LPEHRKFASA-N 1 0 279.296 1.387 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)nc1 ZINC000266226410 275036804 /nfs/dbraw/zinc/03/68/04/275036804.db2.gz IMYFHYWYHKXMBQ-GFCCVEGCSA-N 1 0 260.297 1.440 20 5 CDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000127432302 276036812 /nfs/dbraw/zinc/03/68/12/276036812.db2.gz CUXAZCQKXOHYJX-AWEZNQCLSA-N 1 0 279.340 1.627 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000088147341 277023707 /nfs/dbraw/zinc/02/37/07/277023707.db2.gz AQZMRLQADUEGMD-UHFFFAOYSA-N 1 0 251.286 1.195 20 5 CDBDRO C[NH+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000038778607 277113252 /nfs/dbraw/zinc/11/32/52/277113252.db2.gz KESYMWYAXGGMLF-UHFFFAOYSA-N 1 0 272.308 1.895 20 5 CDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ncc([N+](=O)[O-])cn2)C1 ZINC000274023821 277156594 /nfs/dbraw/zinc/15/65/94/277156594.db2.gz WGUUPYVNKDDWCL-CMPLNLGQSA-N 1 0 277.328 1.305 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000063192937 278312486 /nfs/dbraw/zinc/31/24/86/278312486.db2.gz JJNBJNKIMGKREL-ZJUUUORDSA-N 1 0 280.328 1.275 20 5 CDBDRO CN(C)C(=O)C(C)(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000074286450 279217362 /nfs/dbraw/zinc/21/73/62/279217362.db2.gz HPQCXUOLJCZZHK-UHFFFAOYSA-N 1 0 279.340 1.594 20 5 CDBDRO CC(C)n1cc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000090539869 279278713 /nfs/dbraw/zinc/27/87/13/279278713.db2.gz BHCVZVDQCAZCLH-NSHDSACASA-N 1 0 292.343 1.920 20 5 CDBDRO C[C@H]1CC[C@H](C)[NH+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552251 279279313 /nfs/dbraw/zinc/27/93/13/279279313.db2.gz PEMANKMWDIZWRS-QWRGUYRKSA-N 1 0 265.313 1.629 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CCN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000116388616 279344530 /nfs/dbraw/zinc/34/45/30/279344530.db2.gz DJRAUYINOATKNI-BXKDBHETSA-N 1 0 263.297 1.476 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@@H](C[NH3+])C1CCCCC1 ZINC000130857451 279385046 /nfs/dbraw/zinc/38/50/46/279385046.db2.gz WSGYLHIPCUBEKN-JTQLQIEISA-N 1 0 267.333 1.648 20 5 CDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000218322827 280090816 /nfs/dbraw/zinc/09/08/16/280090816.db2.gz JSJHSEAITMISRV-FXWHHLEPSA-N 1 0 287.319 1.286 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000231856989 280120366 /nfs/dbraw/zinc/12/03/66/280120366.db2.gz NAGRAYPJKIISAC-DGCLKSJQSA-N 1 0 291.351 1.894 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000237189916 280163805 /nfs/dbraw/zinc/16/38/05/280163805.db2.gz BIHPCFICYNEMKT-JTQLQIEISA-N 1 0 293.323 1.414 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000237559191 280180400 /nfs/dbraw/zinc/18/04/00/280180400.db2.gz ULMWNSMJDQNKGX-LJJSCBMDSA-N 1 0 263.297 1.319 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000436070029 280786576 /nfs/dbraw/zinc/78/65/76/280786576.db2.gz ZQYPAJJDEOBKIX-NWDGAFQWSA-N 1 0 279.340 1.656 20 5 CDBDRO Cc1cnc(N2CC[C@@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000227076412 281608480 /nfs/dbraw/zinc/60/84/80/281608480.db2.gz ITUFXVAJGRWRPL-VHSXEESVSA-N 1 0 250.302 1.472 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000216224151 288689645 /nfs/dbraw/zinc/68/96/45/288689645.db2.gz FVDQUZMVKYZXIT-HTQZYQBOSA-N 1 0 270.720 1.817 20 5 CDBDRO CC1(C)CCC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000149833618 289070158 /nfs/dbraw/zinc/07/01/58/289070158.db2.gz NQVYZCXYISIPSJ-WCQYABFASA-N 1 0 296.371 1.711 20 5 CDBDRO Cc1ccnc(N2CCC[C@@H](CC[NH3+])C2)c1[N+](=O)[O-] ZINC000070496726 292770716 /nfs/dbraw/zinc/77/07/16/292770716.db2.gz HACIWDKKQCHXFV-NSHDSACASA-N 1 0 264.329 1.863 20 5 CDBDRO CC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000554585286 290179197 /nfs/dbraw/zinc/17/91/97/290179197.db2.gz IXYAOIKZASHCCX-UHFFFAOYSA-N 1 0 294.355 1.395 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCSC1 ZINC000562990424 293236319 /nfs/dbraw/zinc/23/63/19/293236319.db2.gz YBRJSLQHXNUHPG-GHMZBOCLSA-N 1 0 298.364 1.430 20 5 CDBDRO COc1ccc(CC(=O)N2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000564945090 293466284 /nfs/dbraw/zinc/46/62/84/293466284.db2.gz PINKUBSYTNIWFJ-LLVKDONJSA-N 1 0 293.323 1.096 20 5 CDBDRO CC(C)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])OCCO ZINC000571061179 294363345 /nfs/dbraw/zinc/36/33/45/294363345.db2.gz SYSUHKKIPHXGOK-ZDUSSCGKSA-N 1 0 294.351 1.959 20 5 CDBDRO COc1cccc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000423981383 295287039 /nfs/dbraw/zinc/28/70/39/295287039.db2.gz QQGBPGTUOBBSGQ-PSASIEDQSA-N 1 0 279.296 1.023 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000269111495 295334868 /nfs/dbraw/zinc/33/48/68/295334868.db2.gz JATFDKJCBUQAFV-QMMMGPOBSA-N 1 0 283.715 1.812 20 5 CDBDRO C[C@@H]1C[N@H+](C)C[C@H]1c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351139288 316239720 /nfs/dbraw/zinc/23/97/20/316239720.db2.gz ACINQCNGPASGRM-HTQZYQBOSA-N 1 0 278.268 1.903 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000566184419 316504879 /nfs/dbraw/zinc/50/48/79/316504879.db2.gz PTOPQBHDUACDLA-NSHDSACASA-N 1 0 278.287 1.981 20 5 CDBDRO CC(C)(O)CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000575175778 316971756 /nfs/dbraw/zinc/97/17/56/316971756.db2.gz QZSXAMXFARWAIH-NSHDSACASA-N 1 0 298.339 1.085 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000575746002 317006706 /nfs/dbraw/zinc/00/67/06/317006706.db2.gz QTDGRVXVMMAGCH-VXGBXAGGSA-N 1 0 294.355 1.719 20 5 CDBDRO Cc1csc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000379279997 323598273 /nfs/dbraw/zinc/59/82/73/323598273.db2.gz QEOHACXVQGDMKK-LLVKDONJSA-N 1 0 296.352 1.312 20 5 CDBDRO Cc1cnn(C)c1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000394074242 323838218 /nfs/dbraw/zinc/83/82/18/323838218.db2.gz XKTLKJWWACYFFY-UHFFFAOYSA-N 1 0 290.323 1.805 20 5 CDBDRO CC[NH2+]CCCNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000581993043 324876773 /nfs/dbraw/zinc/87/67/73/324876773.db2.gz YUMVXBWIKPTCKM-UHFFFAOYSA-N 1 0 294.355 1.702 20 5 CDBDRO COc1ccc(NC(=O)N[C@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000582904950 325066949 /nfs/dbraw/zinc/06/69/49/325066949.db2.gz VDVACCUQROAXRC-DTWKUNHWSA-N 1 0 296.327 1.851 20 5 CDBDRO O=c1c([N+](=O)[O-])cccn1CC[C@H]1CCC[NH2+]C1 ZINC000583751017 325233768 /nfs/dbraw/zinc/23/37/68/325233768.db2.gz XYKJFIIGAONSBL-SNVBAGLBSA-N 1 0 251.286 1.146 20 5 CDBDRO Cc1ccc(C(=O)NCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000036263135 329508785 /nfs/dbraw/zinc/50/87/85/329508785.db2.gz SHZCVWKQOSAQFA-UHFFFAOYSA-N 1 0 277.324 1.775 20 5 CDBDRO Cc1c(CNC(=O)N(C)C2CC([NH3+])C2)cccc1[N+](=O)[O-] ZINC000418085899 533852294 /nfs/dbraw/zinc/85/22/94/533852294.db2.gz YQFYEPRGBMYWDX-UHFFFAOYSA-N 1 0 292.339 1.534 20 5 CDBDRO O=C(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)NCc1ccccc1 ZINC001168967937 1161996192 /nfs/dbraw/zinc/99/61/92/1161996192.db2.gz UVCMRXXILRBHFG-UONOGXRCSA-N 1 0 291.351 1.338 20 5 CDBDRO CCOC(=O)C1(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168967139 1161996199 /nfs/dbraw/zinc/99/61/99/1161996199.db2.gz NQINCHDPZZNTCF-GHMZBOCLSA-N 1 0 270.329 1.365 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001168967722 1161996366 /nfs/dbraw/zinc/99/63/66/1161996366.db2.gz SQDSYMBEEOOXIO-CABZTGNLSA-N 1 0 253.277 1.756 20 5 CDBDRO CCOc1cc(NC[C@@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC000157404791 520761723 /nfs/dbraw/zinc/76/17/23/520761723.db2.gz GKQBFSOWKLPPTP-NSHDSACASA-N 1 0 281.312 1.394 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000336840747 523147218 /nfs/dbraw/zinc/14/72/18/523147218.db2.gz QPENLLRXQUCZPQ-SNVBAGLBSA-N 1 0 279.344 1.768 20 5 CDBDRO CC[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000247263478 523251347 /nfs/dbraw/zinc/25/13/47/523251347.db2.gz FKNWMUAMVGUMCR-TZMCWYRMSA-N 1 0 296.371 1.664 20 5 CDBDRO COCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000141433070 523816671 /nfs/dbraw/zinc/81/66/71/523816671.db2.gz HUCXNPUZWIDCAK-UHFFFAOYSA-N 1 0 297.311 1.028 20 5 CDBDRO C[N@@H+]1CCC[C@]2(CCN(CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000339433708 523857943 /nfs/dbraw/zinc/85/79/43/523857943.db2.gz XHMMKNUWTPAYNT-AWEZNQCLSA-N 1 0 293.371 1.209 20 5 CDBDRO COc1ccc(C[NH2+]CC[C@H](C)O)cc1[N+](=O)[O-] ZINC000078781528 524071120 /nfs/dbraw/zinc/07/11/20/524071120.db2.gz LIUBIPQGOGBXSS-VIFPVBQESA-N 1 0 254.286 1.464 20 5 CDBDRO C[C@@H]1CC[C@@H](C[NH3+])CN1c1cc([N+](=O)[O-])ccn1 ZINC000070183277 524589662 /nfs/dbraw/zinc/58/96/62/524589662.db2.gz QLZJFQLSJNIMKL-ZJUUUORDSA-N 1 0 250.302 1.553 20 5 CDBDRO CC(=O)c1cc(NC[C@@H]2C[NH2+]CCN2C)ccc1[N+](=O)[O-] ZINC000420281951 534823408 /nfs/dbraw/zinc/82/34/08/534823408.db2.gz WEXIEKFNBOLBPS-LBPRGKRZSA-N 1 0 292.339 1.113 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000069136976 525555826 /nfs/dbraw/zinc/55/58/26/525555826.db2.gz SDXDCQCJQZMINU-CMPLNLGQSA-N 1 0 298.364 1.823 20 5 CDBDRO [NH3+]CCc1nccn1-c1ccc2ncccc2c1[N+](=O)[O-] ZINC000052304610 527199174 /nfs/dbraw/zinc/19/91/74/527199174.db2.gz ZUIPGLAHVSKALK-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO Cc1nn(C)c(N2CC[C@H](C)[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000163948385 527676562 /nfs/dbraw/zinc/67/65/62/527676562.db2.gz FFBZAAHVMZGSTR-WCBMZHEXSA-N 1 0 267.333 1.058 20 5 CDBDRO Cc1nn(C)c(NCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000049575271 527677981 /nfs/dbraw/zinc/67/79/81/527677981.db2.gz JWMOCICUJGWTAZ-UHFFFAOYSA-N 1 0 267.333 1.535 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000150278255 528953074 /nfs/dbraw/zinc/95/30/74/528953074.db2.gz TXTGKNIRQXKHKN-LLVKDONJSA-N 1 0 295.339 1.851 20 5 CDBDRO CC[NH+](CC)C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176271245 535597904 /nfs/dbraw/zinc/59/79/04/535597904.db2.gz YFAXXXNVAORBNX-CYBMUJFWSA-N 1 0 295.387 1.455 20 5 CDBDRO CC[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000421889427 535995047 /nfs/dbraw/zinc/99/50/47/535995047.db2.gz XDMNWVUKYGIQCG-SRVKXCTJSA-N 1 0 282.344 1.636 20 5 CDBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc(OC)ccc2[N+](=O)[O-])n1 ZINC000261608900 536346231 /nfs/dbraw/zinc/34/62/31/536346231.db2.gz AOAAVNBRSPCGQL-QMMMGPOBSA-N 1 0 292.295 1.804 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417234157 536371449 /nfs/dbraw/zinc/37/14/49/536371449.db2.gz PKNWRQWRSVUKAY-GFCCVEGCSA-N 1 0 292.339 1.141 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000261820605 536400843 /nfs/dbraw/zinc/40/08/43/536400843.db2.gz UIISUFZKOUXUDH-SECBINFHSA-N 1 0 292.339 1.507 20 5 CDBDRO COc1ccc(CN[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000262142712 536897963 /nfs/dbraw/zinc/89/79/63/536897963.db2.gz OSGULKYHSVKVFU-SNVBAGLBSA-N 1 0 251.286 1.055 20 5 CDBDRO O=[N+]([O-])c1ccnn1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000730804578 575011224 /nfs/dbraw/zinc/01/12/24/575011224.db2.gz JELDHSFRZIEVQE-LBPRGKRZSA-N 1 0 279.344 1.309 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000761039878 576536498 /nfs/dbraw/zinc/53/64/98/576536498.db2.gz FWZRDTCWNIUPKA-MRVPVSSYSA-N 1 0 278.234 1.676 20 5 CDBDRO Cn1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000763474461 576738748 /nfs/dbraw/zinc/73/87/48/576738748.db2.gz YOHNUQVNPMJYSE-CQSZACIVSA-N 1 0 275.308 1.757 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCCO2)c1 ZINC000749650104 576956764 /nfs/dbraw/zinc/95/67/64/576956764.db2.gz ZKOUMEUCBWLZTE-STQMWFEESA-N 1 0 266.297 1.397 20 5 CDBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000892679598 617585681 /nfs/dbraw/zinc/58/56/81/617585681.db2.gz RKVYIUSGKMGQIS-LLVKDONJSA-N 1 0 296.323 1.968 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000891845955 617642129 /nfs/dbraw/zinc/64/21/29/617642129.db2.gz GYHDLVZRTCDRRA-ZJUUUORDSA-N 1 0 265.317 1.367 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC000892792914 617752829 /nfs/dbraw/zinc/75/28/29/617752829.db2.gz LLUXKWBOBAUKOQ-AWEZNQCLSA-N 1 0 292.339 1.147 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000892821723 617783154 /nfs/dbraw/zinc/78/31/54/617783154.db2.gz FCGJGFXBARMBBV-NXEZZACHSA-N 1 0 267.333 1.613 20 5 CDBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C(=O)NC ZINC000829319214 617860838 /nfs/dbraw/zinc/86/08/38/617860838.db2.gz CYECYWNRQRPKTL-LLVKDONJSA-N 1 0 265.313 1.517 20 5 CDBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H]2CCO)c1[N+](=O)[O-] ZINC000893718598 617965676 /nfs/dbraw/zinc/96/56/76/617965676.db2.gz UJKRDEIBLLHPIO-LLVKDONJSA-N 1 0 296.323 1.656 20 5 CDBDRO CC(=O)c1ccc(N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000893941922 618205640 /nfs/dbraw/zinc/20/56/40/618205640.db2.gz XOJFFACUFLJZKG-IUODEOHRSA-N 1 0 289.335 1.938 20 5 CDBDRO CC(=O)c1ccc(N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000893941921 618205940 /nfs/dbraw/zinc/20/59/40/618205940.db2.gz XOJFFACUFLJZKG-DOMZBBRYSA-N 1 0 289.335 1.938 20 5 CDBDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000922590412 618276021 /nfs/dbraw/zinc/27/60/21/618276021.db2.gz SEZSIEWLXMORTK-LBPRGKRZSA-N 1 0 299.396 1.857 20 5 CDBDRO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000895326099 619564474 /nfs/dbraw/zinc/56/44/74/619564474.db2.gz ZMLYQQSFEPLHOD-NSHDSACASA-N 1 0 297.742 1.862 20 5 CDBDRO Cc1ccc([C@@H](C[NH2+]CC[N+](=O)[O-])N2CCOCC2)cc1 ZINC000899869788 622496298 /nfs/dbraw/zinc/49/62/98/622496298.db2.gz ACOLGXQQUVBSBE-OAHLLOKOSA-N 1 0 293.367 1.235 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+]CCCON)cc1[N+](=O)[O-] ZINC000902432246 624803603 /nfs/dbraw/zinc/80/36/03/624803603.db2.gz OYKMSKSKVGZTBN-JTQLQIEISA-N 1 0 253.302 1.834 20 5 CDBDRO CN1CC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000903316368 625970281 /nfs/dbraw/zinc/97/02/81/625970281.db2.gz OJLUTPBVJRMYJF-GXFFZTMASA-N 1 0 261.325 1.876 20 5 CDBDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905194264 626670775 /nfs/dbraw/zinc/67/07/75/626670775.db2.gz ISSVDZNVJGXRDR-SKDRFNHKSA-N 1 0 256.277 1.768 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000905218790 626697779 /nfs/dbraw/zinc/69/77/79/626697779.db2.gz JBNMCONWCIZEAB-UHFFFAOYSA-N 1 0 293.245 1.432 20 5 CDBDRO C[NH2+]CCCNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000911677957 629408634 /nfs/dbraw/zinc/40/86/34/629408634.db2.gz WGHAQLXNNCJOIY-UHFFFAOYSA-N 1 0 299.758 1.907 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC(C)(C)C[NH3+] ZINC000911761758 629505981 /nfs/dbraw/zinc/50/59/81/629505981.db2.gz GYZHZBGHWLTWRX-UHFFFAOYSA-N 1 0 283.353 1.784 20 5 CDBDRO CC(C)[C@@H](CO)[N@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000929796403 631076352 /nfs/dbraw/zinc/07/63/52/631076352.db2.gz LHFUBFQAPNEBQR-CQSZACIVSA-N 1 0 266.341 1.782 20 5 CDBDRO CC[C@H](CO)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000916570679 632016902 /nfs/dbraw/zinc/01/69/02/632016902.db2.gz MYINBULRJQIRJM-SNVBAGLBSA-N 1 0 281.312 1.202 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC001170308119 1162339893 /nfs/dbraw/zinc/33/98/93/1162339893.db2.gz KOUWAILVKZGWAH-MNOVXSKESA-N 1 0 282.340 1.752 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1NCCN(C)CC[NH3+] ZINC001170501979 1162663998 /nfs/dbraw/zinc/66/39/98/1162663998.db2.gz IWNLYIXMXJRFMT-UHFFFAOYSA-N 1 0 280.372 1.822 20 5 CDBDRO COc1cc(N2C[C@H](C)[NH2+][C@@H](C)C2)ncc1[N+](=O)[O-] ZINC001158176169 1162756290 /nfs/dbraw/zinc/75/62/90/1162756290.db2.gz KBRZFZDOSPBWMO-IUCAKERBSA-N 1 0 266.301 1.185 20 5 CDBDRO COc1cc(C)c([N+](=O)[O-])cc1N[C@H](C)[C@H]1C[NH2+]CCO1 ZINC001170567122 1162941738 /nfs/dbraw/zinc/94/17/38/1162941738.db2.gz JEOKLEZIMCSCAP-QMTHXVAHSA-N 1 0 295.339 1.701 20 5 CDBDRO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609157212 1164802906 /nfs/dbraw/zinc/80/29/06/1164802906.db2.gz PQPWBHVYNOWKAT-DTORHVGOSA-N 1 0 288.311 1.758 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2C[C@H]([NH3+])Cc3ccccc32)n1 ZINC001155298339 1167120167 /nfs/dbraw/zinc/12/01/67/1167120167.db2.gz RGLWRRVEVPGROM-LLVKDONJSA-N 1 0 285.307 1.715 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c(F)c1 ZINC001155402500 1167158419 /nfs/dbraw/zinc/15/84/19/1167158419.db2.gz NQMZCXWGAFBTMW-CMPLNLGQSA-N 1 0 266.276 1.825 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)c(F)c1 ZINC001155522568 1167210558 /nfs/dbraw/zinc/21/05/58/1167210558.db2.gz HEHAZGRKXCTLSW-HLUHBDAQSA-N 1 0 296.302 1.165 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001155616137 1167259629 /nfs/dbraw/zinc/25/96/29/1167259629.db2.gz ATALRZPYAVBJOI-RISCZKNCSA-N 1 0 292.339 1.621 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC12CC[NH2+]CC2 ZINC001574302155 1170944175 /nfs/dbraw/zinc/94/41/75/1170944175.db2.gz APYKWNCAWZHUNW-UHFFFAOYSA-N 1 0 289.335 1.492 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001579178702 1172110966 /nfs/dbraw/zinc/11/09/66/1172110966.db2.gz ANJIMFGVDFYFBA-YPMHNXCESA-N 1 0 291.351 1.645 20 5 CDBDRO COc1ccccc1[C@@H]([NH3+])CNc1nn(C)cc1[N+](=O)[O-] ZINC001579301572 1172139437 /nfs/dbraw/zinc/13/94/37/1172139437.db2.gz ASEFOBCQYZFSAW-JTQLQIEISA-N 1 0 291.311 1.449 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1COCCN1 ZINC001579734886 1172251259 /nfs/dbraw/zinc/25/12/59/1172251259.db2.gz RHCKJOVJUPMJNT-LBPRGKRZSA-N 1 0 279.340 1.290 20 5 CDBDRO O=C(OC1C[NH2+]C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001580801549 1172541009 /nfs/dbraw/zinc/54/10/09/1172541009.db2.gz UUWZGKKGPHVJEA-UHFFFAOYSA-N 1 0 263.253 1.066 20 5 CDBDRO CN1CCCC[C@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158635460 1178226375 /nfs/dbraw/zinc/22/63/75/1178226375.db2.gz YAXTXLVUGDDWKS-GJZGRUSLSA-N 1 0 293.367 1.702 20 5 CDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000301752536 719372261 /nfs/dbraw/zinc/37/22/61/719372261.db2.gz VNSLRFGAIYZINC-GHMZBOCLSA-N 1 0 298.730 1.162 20 5 CDBDRO Cc1nc(N2CC[NH+](C3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000296632959 721861635 /nfs/dbraw/zinc/86/16/35/721861635.db2.gz VTMRHKNZNVXVIM-UHFFFAOYSA-N 1 0 291.355 1.758 20 5 CDBDRO C[NH+](C)CC1CCN(c2cccc([N+](=O)[O-])n2)CC1 ZINC001165042875 721943823 /nfs/dbraw/zinc/94/38/23/721943823.db2.gz RQNYLTOQHKYELX-UHFFFAOYSA-N 1 0 264.329 1.768 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2COCCO2)cc1Cl ZINC000783595832 758850614 /nfs/dbraw/zinc/85/06/14/758850614.db2.gz DOCBLRUFDCQKOM-JTQLQIEISA-N 1 0 286.715 1.753 20 5 CDBDRO [NH3+][C@H]1C[C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000715153636 758852336 /nfs/dbraw/zinc/85/23/36/758852336.db2.gz YCAUTKPBVHZQGR-XWEPSHTISA-N 1 0 283.715 1.715 20 5 CDBDRO CC1CC(NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870897458 758879585 /nfs/dbraw/zinc/87/95/85/758879585.db2.gz JDFCZQYXTARMJF-PFMWSLTASA-N 1 0 277.324 1.683 20 5 CDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000827332944 758894559 /nfs/dbraw/zinc/89/45/59/758894559.db2.gz VQAQCDYUJJIGAL-STQMWFEESA-N 1 0 297.399 1.765 20 5 CDBDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000048336217 758897355 /nfs/dbraw/zinc/89/73/55/758897355.db2.gz MWVUDESJNCJUJL-VIFPVBQESA-N 1 0 284.287 1.975 20 5 CDBDRO C[NH+](C)C(C)(C)CNc1cc(N)ccc1[N+](=O)[O-] ZINC000800846072 759014214 /nfs/dbraw/zinc/01/42/14/759014214.db2.gz BNDWFEYXBXTICM-UHFFFAOYSA-N 1 0 252.318 1.929 20 5 CDBDRO C[C@H](NC[C@@H]1CCCC[NH2+]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817949875 768835127 /nfs/dbraw/zinc/83/51/27/768835127.db2.gz OOSKNVDVRXPIBB-JQWIXIFHSA-N 1 0 278.356 1.970 20 5 CDBDRO CC[C@H](C)[NH+]1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886236347 768843769 /nfs/dbraw/zinc/84/37/69/768843769.db2.gz FHLMRTFISFEJMS-LBPRGKRZSA-N 1 0 278.356 1.906 20 5 CDBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccnc2[N+](=O)[O-])[C@@H]1SC ZINC000886265722 768844413 /nfs/dbraw/zinc/84/44/13/768844413.db2.gz PSNCGGDXRYIEEP-UTUOFQBUSA-N 1 0 297.380 1.988 20 5 CDBDRO C[C@]12C[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000933704477 768858068 /nfs/dbraw/zinc/85/80/68/768858068.db2.gz PXJRDDWPZCSJNO-MYZSUADSSA-N 1 0 288.351 1.935 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](CF)C2)c1 ZINC000880289359 768859323 /nfs/dbraw/zinc/85/93/23/768859323.db2.gz LKMRVEXQYOMSLL-YPMHNXCESA-N 1 0 298.314 1.626 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000873009048 768872928 /nfs/dbraw/zinc/87/29/28/768872928.db2.gz GAQCNRZRBNCCDM-NSHDSACASA-N 1 0 298.364 1.488 20 5 CDBDRO C[C@@H]1COCC[C@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819305199 768884651 /nfs/dbraw/zinc/88/46/51/768884651.db2.gz HTFYNFFDPXSWCL-ZLDLUXBVSA-N 1 0 294.351 1.890 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@]1(O)CC[N@@H+](C)C1 ZINC000873105676 768895408 /nfs/dbraw/zinc/89/54/08/768895408.db2.gz ALOVQZBAGKDPQV-OAHLLOKOSA-N 1 0 293.367 1.368 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](CO)CC(F)F)cc1 ZINC000717834700 769025861 /nfs/dbraw/zinc/02/58/61/769025861.db2.gz JLPFFEIHWLHWHJ-KOLCDFICSA-N 1 0 290.266 1.234 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@@H]1CC[NH2+]C1 ZINC000089744591 769058217 /nfs/dbraw/zinc/05/82/17/769058217.db2.gz DDSQBYVZNLXASR-NSHDSACASA-N 1 0 277.324 1.553 20 5 CDBDRO O=[N+]([O-])CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000930457304 769122416 /nfs/dbraw/zinc/12/24/16/769122416.db2.gz AVUQOSPRBOGAMU-KFWWJZLASA-N 1 0 276.336 1.768 20 5 CDBDRO C[NH2+]C[C@H]1CCCCN1Cc1cccnc1[N+](=O)[O-] ZINC000886841289 769232277 /nfs/dbraw/zinc/23/22/77/769232277.db2.gz HGKIYCPSAQMWHC-GFCCVEGCSA-N 1 0 264.329 1.564 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000929970927 769390420 /nfs/dbraw/zinc/39/04/20/769390420.db2.gz JORNGWAGOVZHPR-UHFFFAOYSA-N 1 0 268.288 1.698 20 5 CDBDRO CCC1(O)CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776589459 769517051 /nfs/dbraw/zinc/51/70/51/769517051.db2.gz SKWYCEJFHJEUAT-AWEZNQCLSA-N 1 0 294.351 1.865 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@H]1c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000822862514 769564112 /nfs/dbraw/zinc/56/41/12/769564112.db2.gz JUZFGOZVXFEYJV-GZMMTYOYSA-N 1 0 289.295 1.429 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CCOCC[NH3+])c1C ZINC000884439176 769582219 /nfs/dbraw/zinc/58/22/19/769582219.db2.gz WUSKOKLQSGTZNM-UHFFFAOYSA-N 1 0 295.339 1.259 20 5 CDBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C(C)(C)CO ZINC000134840051 769827659 /nfs/dbraw/zinc/82/76/59/769827659.db2.gz QTQYIPVQWYAXJO-UHFFFAOYSA-N 1 0 256.277 1.937 20 5 CDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C2 ZINC000857008599 769860712 /nfs/dbraw/zinc/86/07/12/769860712.db2.gz NRFXAHVRHNGADF-YMTOWFKASA-N 1 0 293.298 1.687 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843358536 769957576 /nfs/dbraw/zinc/95/75/76/769957576.db2.gz CTYILSFKZIVLQV-GFCCVEGCSA-N 1 0 293.323 1.610 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865466524 770030598 /nfs/dbraw/zinc/03/05/98/770030598.db2.gz JJXPENWYWLAEHZ-SNVBAGLBSA-N 1 0 283.303 1.732 20 5 CDBDRO COCC[C@@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000305958244 770045434 /nfs/dbraw/zinc/04/54/34/770045434.db2.gz WFIQDZLOVGKPRP-NSHDSACASA-N 1 0 254.286 1.082 20 5 CDBDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2CC[N+](=O)[O-])C1 ZINC000930299810 770068928 /nfs/dbraw/zinc/06/89/28/770068928.db2.gz JFBGNKMMDPYPIH-RQJABVFESA-N 1 0 270.373 1.915 20 5 CDBDRO CC(C)[C@@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])n2C)n1 ZINC000843148082 770300910 /nfs/dbraw/zinc/30/09/10/770300910.db2.gz MIBRBHCHXXBFIK-SECBINFHSA-N 1 0 265.273 1.639 20 5 CDBDRO C[C@]1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000158663366 770366050 /nfs/dbraw/zinc/36/60/50/770366050.db2.gz QLMNMESFXQVUIG-ZIAGYGMSSA-N 1 0 280.324 1.787 20 5 CDBDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815572501 770395354 /nfs/dbraw/zinc/39/53/54/770395354.db2.gz FIQMDIZJOCFEST-SCZZXKLOSA-N 1 0 278.312 1.058 20 5 CDBDRO Cc1noc(COC(=O)[C@H](C(C)C)[NH+](C)C)c1[N+](=O)[O-] ZINC000853914122 770576805 /nfs/dbraw/zinc/57/68/05/770576805.db2.gz KHVOKMAJJTUHKS-JTQLQIEISA-N 1 0 285.300 1.521 20 5 CDBDRO COc1ccc([C@@H]([NH2+]CC[N+](=O)[O-])C2CC2)cn1 ZINC000931337506 770825049 /nfs/dbraw/zinc/82/50/49/770825049.db2.gz HFBLFQKCLPRNOT-LBPRGKRZSA-N 1 0 251.286 1.408 20 5 CDBDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CC[N+](=O)[O-])ccc2NC1=O ZINC000791054528 770925413 /nfs/dbraw/zinc/92/54/13/770925413.db2.gz KARFJJDGADNJKF-SKDRFNHKSA-N 1 0 293.323 1.723 20 5 CDBDRO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](CC[N+](=O)[O-])C1 ZINC000930683285 771003451 /nfs/dbraw/zinc/00/34/51/771003451.db2.gz FTDIRGAJZBVAEH-LBPRGKRZSA-N 1 0 258.318 1.317 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000089090934 771015813 /nfs/dbraw/zinc/01/58/13/771015813.db2.gz MJXDVNJASNAWJL-QWRGUYRKSA-N 1 0 277.324 1.760 20 5 CDBDRO CC(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001035707029 771064165 /nfs/dbraw/zinc/06/41/65/771064165.db2.gz MEVPZNONEWWTHV-CHWSQXEVSA-N 1 0 295.383 1.232 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000088056018 771309634 /nfs/dbraw/zinc/30/96/34/771309634.db2.gz YVJNIBYLSMECNR-KOLCDFICSA-N 1 0 292.339 1.390 20 5 CDBDRO Cc1nn(C)c(NCCn2ccnc2C)c1[N+](=O)[O-] ZINC000311996711 771396714 /nfs/dbraw/zinc/39/67/14/771396714.db2.gz QWHZLDLPJZVGAO-UHFFFAOYSA-N 1 0 264.289 1.254 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc(C[C@H]3CCC[NH2+]3)n2)o1 ZINC000843238237 771578849 /nfs/dbraw/zinc/57/88/49/771578849.db2.gz LOUUHMBFJUFZJF-SSDOTTSWSA-N 1 0 264.241 1.532 20 5 CDBDRO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000886116972 771591089 /nfs/dbraw/zinc/59/10/89/771591089.db2.gz WIRPIBVFJFCPOZ-WCQYABFASA-N 1 0 279.340 1.973 20 5 CDBDRO CCN(CCC[NH+](C)C)c1ccc(N)cc1[N+](=O)[O-] ZINC000819931955 771740457 /nfs/dbraw/zinc/74/04/57/771740457.db2.gz XWYLMPMUCNLKJW-UHFFFAOYSA-N 1 0 266.345 1.955 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818016719 771764784 /nfs/dbraw/zinc/76/47/84/771764784.db2.gz NSPHVVJEONGRHR-CQSZACIVSA-N 1 0 293.298 1.702 20 5 CDBDRO O=[N+]([O-])CC[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000930066323 771812214 /nfs/dbraw/zinc/81/22/14/771812214.db2.gz DSGIFSRXHDTYCP-KBPBESRZSA-N 1 0 282.315 1.990 20 5 CDBDRO C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000886221320 771836795 /nfs/dbraw/zinc/83/67/95/771836795.db2.gz XIRHXWIWXOMKIK-GFCCVEGCSA-N 1 0 290.367 1.906 20 5 CDBDRO Cc1n[nH]cc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818949980 771896704 /nfs/dbraw/zinc/89/67/04/771896704.db2.gz RCBWUKPFSGCUDS-ZDUSSCGKSA-N 1 0 276.296 1.450 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000089108422 771952317 /nfs/dbraw/zinc/95/23/17/771952317.db2.gz FNKIPPXMQSEBJU-ZJUUUORDSA-N 1 0 250.302 1.919 20 5 CDBDRO C[C@@H](NC1CC[NH2+]CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817936868 772000550 /nfs/dbraw/zinc/00/05/50/772000550.db2.gz RXCFDCUTUFYRAY-SECBINFHSA-N 1 0 264.329 1.580 20 5 CDBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839672373 772007653 /nfs/dbraw/zinc/00/76/53/772007653.db2.gz FTQFZHKQMABCGW-KYOSRNDESA-N 1 0 294.351 1.721 20 5 CDBDRO CN1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000877018953 772012799 /nfs/dbraw/zinc/01/27/99/772012799.db2.gz CUPOSUHLEBBDNS-SECBINFHSA-N 1 0 276.296 1.530 20 5 CDBDRO CCOc1cc(C[NH2+][C@H](CC)CO)ccc1[N+](=O)[O-] ZINC000931774710 772015916 /nfs/dbraw/zinc/01/59/16/772015916.db2.gz MDPLKCXKJSKRDT-LLVKDONJSA-N 1 0 268.313 1.854 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CC23CCC3)c1 ZINC000872251032 772038954 /nfs/dbraw/zinc/03/89/54/772038954.db2.gz MKIPTNGBKMVJRX-JSGCOSHPSA-N 1 0 292.335 1.867 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(CO)(CO)CC2)cc1 ZINC000877798000 772354462 /nfs/dbraw/zinc/35/44/62/772354462.db2.gz UPUHENMVBINAER-UHFFFAOYSA-N 1 0 280.324 1.162 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2cccnc2)cc1 ZINC000158622702 772432364 /nfs/dbraw/zinc/43/23/64/772432364.db2.gz RYLUGJQBZWFDOG-HNNXBMFYSA-N 1 0 287.319 1.856 20 5 CDBDRO CN1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1=O ZINC000783637432 772433693 /nfs/dbraw/zinc/43/36/93/772433693.db2.gz DELDDSHZRMRTDO-NSHDSACASA-N 1 0 297.742 1.959 20 5 CDBDRO CO[C@@H]1C[C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886229994 772453590 /nfs/dbraw/zinc/45/35/90/772453590.db2.gz ZAVDMRHAEAVLCA-WDEREUQCSA-N 1 0 265.313 1.893 20 5 CDBDRO COCC[NH2+]CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841048552 772468399 /nfs/dbraw/zinc/46/83/99/772468399.db2.gz QOEUJKAXZIIMII-UHFFFAOYSA-N 1 0 287.747 1.574 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCOCC(F)F)cc1 ZINC000236558829 772502983 /nfs/dbraw/zinc/50/29/83/772502983.db2.gz ASGIYSCYBNNXPV-LLVKDONJSA-N 1 0 290.266 1.500 20 5 CDBDRO [NH3+]CCCc1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000843171030 772548780 /nfs/dbraw/zinc/54/87/80/772548780.db2.gz PTCRTSGCGJEYHL-UHFFFAOYSA-N 1 0 262.269 1.460 20 5 CDBDRO CC1(C)CN(Cc2cccnc2[N+](=O)[O-])CC[C@@H]1O ZINC000886160502 772582136 /nfs/dbraw/zinc/58/21/36/772582136.db2.gz VYIOODQCEXTCST-NSHDSACASA-N 1 0 265.313 1.583 20 5 CDBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852559384 772586580 /nfs/dbraw/zinc/58/65/80/772586580.db2.gz PVJARJOYZYCOGE-LERXQTSPSA-N 1 0 280.324 1.473 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2(CO)CCCCC2)cc1 ZINC000158640934 772591232 /nfs/dbraw/zinc/59/12/32/772591232.db2.gz RCWLVICAOXNXNJ-AWEZNQCLSA-N 1 0 294.351 1.913 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000864593030 772673406 /nfs/dbraw/zinc/67/34/06/772673406.db2.gz CLDGXITUPYDJGN-ILWJIGKKSA-N 1 0 265.317 1.271 20 5 CDBDRO CO[C@H]1CC[C@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000851992077 772715428 /nfs/dbraw/zinc/71/54/28/772715428.db2.gz BIVLWMIFHJXIGZ-STQMWFEESA-N 1 0 294.355 1.996 20 5 CDBDRO O=[N+]([O-])c1c(F)nccc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000881845177 772722143 /nfs/dbraw/zinc/72/21/43/772722143.db2.gz GYVBJSVYCJYCHC-MRVPVSSYSA-N 1 0 266.276 1.778 20 5 CDBDRO C[C@@H]1COCC[C@H]1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819305197 772753721 /nfs/dbraw/zinc/75/37/21/772753721.db2.gz HTFYNFFDPXSWCL-OSAQELSMSA-N 1 0 294.351 1.890 20 5 CDBDRO COC[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591989 772817169 /nfs/dbraw/zinc/81/71/69/772817169.db2.gz NRUGVEDOIDUWBH-UONOGXRCSA-N 1 0 280.324 1.739 20 5 CDBDRO CCOC(=O)CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818949434 772824864 /nfs/dbraw/zinc/82/48/64/772824864.db2.gz LULFCDWPJBDELV-CYBMUJFWSA-N 1 0 296.323 1.561 20 5 CDBDRO Cn1ncc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000815127032 772842680 /nfs/dbraw/zinc/84/26/80/772842680.db2.gz JTAXMXWLEPOVSZ-UHFFFAOYSA-N 1 0 289.339 1.836 20 5 CDBDRO CN1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000848525390 772843142 /nfs/dbraw/zinc/84/31/42/772843142.db2.gz PSIVGVWMLOIUDR-GXFFZTMASA-N 1 0 261.325 1.876 20 5 CDBDRO CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001019903583 772869173 /nfs/dbraw/zinc/86/91/73/772869173.db2.gz HGKCDMPUUBNSIU-HAQNSBGRSA-N 1 0 263.297 1.352 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C[C@H]2C[C@H](O)C2)n1 ZINC000872126459 772874613 /nfs/dbraw/zinc/87/46/13/772874613.db2.gz NWQGBJAICBFGRG-CYDGBPFRSA-N 1 0 294.355 1.636 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+](CCO)CC1CC1 ZINC000143142054 772888489 /nfs/dbraw/zinc/88/84/89/772888489.db2.gz KMNQWZKHNDXWDE-UHFFFAOYSA-N 1 0 268.288 1.938 20 5 CDBDRO Cc1cc(F)cc(C(=O)NCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000176162708 772955902 /nfs/dbraw/zinc/95/59/02/772955902.db2.gz WASYQFJCDUVRPD-UHFFFAOYSA-N 1 0 283.303 1.724 20 5 CDBDRO C[C@@H]([NH3+])CN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000700612657 772958796 /nfs/dbraw/zinc/95/87/96/772958796.db2.gz UUXQHZWEOJGINA-SSDOTTSWSA-N 1 0 271.704 1.667 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCS(=O)(=O)C2CC2)cc1 ZINC000840965098 773042204 /nfs/dbraw/zinc/04/22/04/773042204.db2.gz XVGTXUYOHGWWKS-UHFFFAOYSA-N 1 0 284.337 1.262 20 5 CDBDRO CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001039485902 773169388 /nfs/dbraw/zinc/16/93/88/773169388.db2.gz SLVUBNYLTLJNGD-ZIAGYGMSSA-N 1 0 295.383 1.375 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000702655765 773381911 /nfs/dbraw/zinc/38/19/11/773381911.db2.gz VFDGKMJHJJCKEU-KCJUWKMLSA-N 1 0 253.277 1.655 20 5 CDBDRO [NH3+][C@H](CC1CC1)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000884140091 773536969 /nfs/dbraw/zinc/53/69/69/773536969.db2.gz KFPAFPZOYKBEKW-LLVKDONJSA-N 1 0 275.308 1.611 20 5 CDBDRO C[NH+](C)C[C@H](O)CNc1ccc([N+](=O)[O-])cc1F ZINC000717392681 773547177 /nfs/dbraw/zinc/54/71/77/773547177.db2.gz LOSUGWUXNONQDR-SECBINFHSA-N 1 0 257.265 1.068 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(CO)CCOCC1 ZINC001173215156 912296758 /nfs/dbraw/zinc/29/67/58/912296758.db2.gz TVEIVCFAHRCTJR-LBPRGKRZSA-N 1 0 294.351 1.657 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](O)C1 ZINC001173226038 912316706 /nfs/dbraw/zinc/31/67/06/912316706.db2.gz KUWKZYSEKPPQIP-BXUZGUMPSA-N 1 0 264.325 1.983 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CC[C@@H](O)C1 ZINC001173234149 912324164 /nfs/dbraw/zinc/32/41/64/912324164.db2.gz NSYDIESRNDIJPA-IUODEOHRSA-N 1 0 293.367 1.182 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC(=O)N1C ZINC001173234921 912329755 /nfs/dbraw/zinc/32/97/55/912329755.db2.gz QSDQDDVRCUHYSI-SMDDNHRTSA-N 1 0 291.351 1.736 20 5 CDBDRO C[N@@H+]1CC[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000148487157 913990472 /nfs/dbraw/zinc/99/04/72/913990472.db2.gz UMCYFMOLYFPGMX-QMMMGPOBSA-N 1 0 256.693 1.759 20 5 CDBDRO CC(=O)NCCCCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001177696129 914870125 /nfs/dbraw/zinc/87/01/25/914870125.db2.gz FTZXVIYRNHRZTH-UHFFFAOYSA-N 1 0 297.359 1.114 20 5 CDBDRO C[NH+](C)C1(CNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000842047222 908892832 /nfs/dbraw/zinc/89/28/32/908892832.db2.gz SZDMUODBFHGZEX-UHFFFAOYSA-N 1 0 250.302 1.683 20 5 CDBDRO O=C(NCC[NH2+]Cc1ccc(Cl)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936956 909941422 /nfs/dbraw/zinc/94/14/22/909941422.db2.gz YNVAULIEQYMDMF-VXGBXAGGSA-N 1 0 297.742 1.211 20 5 CDBDRO NC(=[NH2+])c1nccn1-c1ncnc2sc([N+](=O)[O-])cc21 ZINC001168411571 911889919 /nfs/dbraw/zinc/88/99/19/911889919.db2.gz WTDDRMLVDSFWGI-UHFFFAOYSA-N 1 0 289.280 1.069 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1(CO)COC1)CC2 ZINC001172901238 912039663 /nfs/dbraw/zinc/03/96/63/912039663.db2.gz LRUVWGBYIRQZBJ-CYBMUJFWSA-N 1 0 292.335 1.193 20 5 CDBDRO Cc1c(-n2ccnc2C(N)=[NH2+])ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001168415717 912123625 /nfs/dbraw/zinc/12/36/25/912123625.db2.gz LFAMKQLCLVSQLR-UHFFFAOYSA-N 1 0 290.239 1.281 20 5 CDBDRO CCC1(Nc2ncnc3cc(F)c([N+](=O)[O-])cc32)C[NH2+]C1 ZINC001168581188 919276225 /nfs/dbraw/zinc/27/62/25/919276225.db2.gz VDOBPFBDSNUGSI-UHFFFAOYSA-N 1 0 291.286 1.841 20 5 CDBDRO C[NH2+]C1CN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001163701548 924074732 /nfs/dbraw/zinc/07/47/32/924074732.db2.gz MUOCCPSOONUNDO-UHFFFAOYSA-N 1 0 277.111 1.705 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[N@H+](C)C1 ZINC000824615103 925831586 /nfs/dbraw/zinc/83/15/86/925831586.db2.gz WIEIAACFDIHFRY-SNVBAGLBSA-N 1 0 280.328 1.752 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC001154986040 926310356 /nfs/dbraw/zinc/31/03/56/926310356.db2.gz QJOXXWOCUAYRLH-IUCAKERBSA-N 1 0 251.290 1.375 20 5 CDBDRO CC(C)(Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)C1CC1 ZINC001155072952 926491918 /nfs/dbraw/zinc/49/19/18/926491918.db2.gz PALUCYJHXKQDDT-UHFFFAOYSA-N 1 0 277.328 1.672 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1-n1cc2c(n1)CC[C@H]([NH3+])C2 ZINC001168816388 927448234 /nfs/dbraw/zinc/44/82/34/927448234.db2.gz PJQFIFIKCWDVNT-NSHDSACASA-N 1 0 272.308 1.905 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(-n2cnc3ccc(C[NH3+])cc32)n1 ZINC001168839328 927482919 /nfs/dbraw/zinc/48/29/19/927482919.db2.gz ZXMBQLBWMCQQIW-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO CC1(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168978823 927565203 /nfs/dbraw/zinc/56/52/03/927565203.db2.gz UNFHPLTVQOZVNN-NEPJUHHUSA-N 1 0 256.346 1.838 20 5 CDBDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168980671 927568097 /nfs/dbraw/zinc/56/80/97/927568097.db2.gz FKPXJCDERAWBSN-WYUUTHIRSA-N 1 0 270.329 1.363 20 5 CDBDRO Cc1nn(C)c(C)c1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168956885 927577418 /nfs/dbraw/zinc/57/74/18/927577418.db2.gz CMZYUIBICBXARZ-NEPJUHHUSA-N 1 0 266.345 1.572 20 5 CDBDRO CC(C)(C)OC(=O)NCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168959161 927579870 /nfs/dbraw/zinc/57/98/70/927579870.db2.gz UHPFXZJBUYVNIL-GHMZBOCLSA-N 1 0 287.360 1.546 20 5 CDBDRO O=C1CCCCN1CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168959156 927580555 /nfs/dbraw/zinc/58/05/55/927580555.db2.gz UHDYXDAUHQEWSX-NEPJUHHUSA-N 1 0 269.345 1.034 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)C1 ZINC001168961194 927582013 /nfs/dbraw/zinc/58/20/13/927582013.db2.gz HRFNPOHSVAOBQO-MMMKDXCPSA-N 1 0 276.336 1.680 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)C1 ZINC001168965072 927587363 /nfs/dbraw/zinc/58/73/63/927587363.db2.gz XSBUBOJGKOUJNA-RBSFLKMASA-N 1 0 278.352 1.625 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc(CO)c2)C1 ZINC001168971380 927594225 /nfs/dbraw/zinc/59/42/25/927594225.db2.gz JYRDZGMIIKTZJH-JSGCOSHPSA-N 1 0 264.325 1.714 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](CO)c2cccs2)C1 ZINC001168972704 927595996 /nfs/dbraw/zinc/59/59/96/927595996.db2.gz AUGRVJMEHPTTHO-OUAUKWLOSA-N 1 0 270.354 1.817 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CCN(C3CCC3)C2)C1 ZINC001168995246 927603445 /nfs/dbraw/zinc/60/34/45/927603445.db2.gz SASKYKISOBRFFH-XQQFMLRXSA-N 1 0 267.373 1.648 20 5 CDBDRO COc1ccccc1[C@@H](CO)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169002741 927605155 /nfs/dbraw/zinc/60/51/55/927605155.db2.gz MCWVOSJAMFRICE-MBNYWOFBSA-N 1 0 294.351 1.764 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCOc2ccncc2)C1 ZINC001169004585 927609134 /nfs/dbraw/zinc/60/91/34/927609134.db2.gz RFSJIMLZOHPONH-NEPJUHHUSA-N 1 0 265.313 1.495 20 5 CDBDRO [NH3+]CCCc1nccn1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007618 927611298 /nfs/dbraw/zinc/61/12/98/927611298.db2.gz OQTGUCKAELVGOV-WDEREUQCSA-N 1 0 252.318 1.392 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(c3nccs3)CC2)C1 ZINC001169006449 927612515 /nfs/dbraw/zinc/61/25/15/927612515.db2.gz IIAUGQBSLWCTDF-NWDGAFQWSA-N 1 0 296.396 1.711 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3CCCO[C@@H]3C2)C1 ZINC001169010718 927617111 /nfs/dbraw/zinc/61/71/11/927617111.db2.gz FUEGNQWNWCFWSV-REWJHTLYSA-N 1 0 268.357 1.933 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)OCCO3)C1 ZINC001169010573 927617235 /nfs/dbraw/zinc/61/72/35/927617235.db2.gz DSYKFRZGDXGAQN-VXGBXAGGSA-N 1 0 270.329 1.271 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@]3(CCCO3)C2)C1 ZINC001169012179 927618165 /nfs/dbraw/zinc/61/81/65/927618165.db2.gz OOFBYPMFXPTOOU-JHJVBQTASA-N 1 0 254.330 1.687 20 5 CDBDRO Nc1ccc([C@H](CCO)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168990939 927629880 /nfs/dbraw/zinc/62/98/80/927629880.db2.gz FQSCSIQQMBMFHT-UGFHNGPFSA-N 1 0 293.367 1.727 20 5 CDBDRO CCO[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169027461 927632115 /nfs/dbraw/zinc/63/21/15/927632115.db2.gz PYWNWQKWWFMOSX-RWMBFGLXSA-N 1 0 256.346 1.933 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@]3(CCO3)C2)C1 ZINC001169035592 927643747 /nfs/dbraw/zinc/64/37/47/927643747.db2.gz KTNQXUKSQCTHHL-AGIUHOORSA-N 1 0 254.330 1.687 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(CCO3)C2)C1 ZINC001169035594 927643993 /nfs/dbraw/zinc/64/39/93/927643993.db2.gz KTNQXUKSQCTHHL-FRRDWIJNSA-N 1 0 254.330 1.687 20 5 CDBDRO Cn1ncc2c1C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169035502 927644849 /nfs/dbraw/zinc/64/48/49/927644849.db2.gz BOEFXKKMPCCNDV-ZYHUDNBSSA-N 1 0 264.329 1.224 20 5 CDBDRO COCc1noc2c1C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169020126 927658756 /nfs/dbraw/zinc/65/87/56/927658756.db2.gz INODTMPDXNBRAF-QWRGUYRKSA-N 1 0 295.339 1.625 20 5 CDBDRO COCC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCN(C)CC1 ZINC001169021921 927663284 /nfs/dbraw/zinc/66/32/84/927663284.db2.gz BCIGBRXJGHZQQY-ZFWWWQNUSA-N 1 0 299.415 1.474 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+](CCO)Cc2cccs2)C1 ZINC001169023190 927664050 /nfs/dbraw/zinc/66/40/50/927664050.db2.gz DJGZWSIQYDIPDE-NWDGAFQWSA-N 1 0 284.381 1.988 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001169026557 927667188 /nfs/dbraw/zinc/66/71/88/927667188.db2.gz MKKTZAVJVAWZNK-JHJVBQTASA-N 1 0 253.346 1.212 20 5 CDBDRO O=[N+]([O-])c1c(F)nccc1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000881868881 929910068 /nfs/dbraw/zinc/91/00/68/929910068.db2.gz QVOYCANKLZYCOV-UWVGGRQHSA-N 1 0 296.302 1.404 20 5 CDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1NCC[C@@H](C)[NH3+] ZINC001170891414 930685292 /nfs/dbraw/zinc/68/52/92/930685292.db2.gz WPADRPSCNDLYOP-SECBINFHSA-N 1 0 281.312 1.921 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1N[C@H]1C[C@H]2CC[N@H+](C1)[C@H]2C ZINC001170977126 931123738 /nfs/dbraw/zinc/12/37/38/931123738.db2.gz UMBCMIBOOYZSGW-AXFHLTTASA-N 1 0 292.339 1.893 20 5 CDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1NCC(C)(C)[NH3+] ZINC001160031810 931151672 /nfs/dbraw/zinc/15/16/72/931151672.db2.gz DVWFAPULMDSWDS-UHFFFAOYSA-N 1 0 282.300 1.316 20 5 CDBDRO CC(C)([NH3+])CNc1nccc(Br)c1[N+](=O)[O-] ZINC001171192389 931857061 /nfs/dbraw/zinc/85/70/61/931857061.db2.gz FFJCMTRMHKHKKW-UHFFFAOYSA-N 1 0 289.133 1.902 20 5 CDBDRO C[NH+](C)CC[C@@H]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC001154644703 937570909 /nfs/dbraw/zinc/57/09/09/937570909.db2.gz UOYUFGYRHOMXRH-GFCCVEGCSA-N 1 0 285.388 1.622 20 5 CDBDRO [NH3+]C/C=C/CNc1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001160982356 932281550 /nfs/dbraw/zinc/28/15/50/932281550.db2.gz JGXLLEDORDKRRC-ONEGZZNKSA-N 1 0 285.307 1.979 20 5 CDBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1cc(N)c([N+](=O)[O-])cn1 ZINC001155022869 937622144 /nfs/dbraw/zinc/62/21/44/937622144.db2.gz BPJHDBDXKFSEGY-VHSXEESVSA-N 1 0 279.344 1.620 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001155029097 937623417 /nfs/dbraw/zinc/62/34/17/937623417.db2.gz JDVKNGUMDAKLHU-YUMQZZPRSA-N 1 0 274.683 1.755 20 5 CDBDRO Cc1nc(NC[C@H]2CCC[NH2+]C[C@H]2C)ncc1[N+](=O)[O-] ZINC001155029035 937623489 /nfs/dbraw/zinc/62/34/89/937623489.db2.gz IBPDCRITBYIMDC-MWLCHTKSSA-N 1 0 279.344 1.741 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC001120548755 937809014 /nfs/dbraw/zinc/80/90/14/937809014.db2.gz YHUPFAIWNXHXJS-VIFPVBQESA-N 1 0 297.380 1.902 20 5 CDBDRO C[C@@H](Nc1cc(N)ccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001120959050 937850250 /nfs/dbraw/zinc/85/02/50/937850250.db2.gz FBZFNKQSLRNOPE-YGRLFVJLSA-N 1 0 293.371 1.223 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N(CCC[NH3+])C(C)C)n1 ZINC001156118141 938321319 /nfs/dbraw/zinc/32/13/19/938321319.db2.gz UBOCVJGALRPWCG-UHFFFAOYSA-N 1 0 283.332 1.265 20 5 CDBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C2(CC2)C1 ZINC001156427679 938366154 /nfs/dbraw/zinc/36/61/54/938366154.db2.gz XWGUSBDAIRMZFJ-SECBINFHSA-N 1 0 289.339 1.450 20 5 CDBDRO Cc1nc(N2C[C@H]3[C@H](C2)CCC[N@H+]3C)ccc1[N+](=O)[O-] ZINC001157260005 938469956 /nfs/dbraw/zinc/46/99/56/938469956.db2.gz GVWHTVALOWNLJO-AAEUAGOBSA-N 1 0 276.340 1.829 20 5 CDBDRO O=C(NCCC[NH2+]CC1=CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767482 938542812 /nfs/dbraw/zinc/54/28/12/938542812.db2.gz ODZCDMGLSZIXER-CHWSQXEVSA-N 1 0 281.356 1.248 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1-n1cc2c(n1)CC[C@H]([NH3+])C2 ZINC001157979986 938571057 /nfs/dbraw/zinc/57/10/57/938571057.db2.gz LWLMNCQSSNNCKX-JTQLQIEISA-N 1 0 273.296 1.300 20 5 CDBDRO [NH3+]Cc1cccc2c1cnn2-c1ncc(F)cc1[N+](=O)[O-] ZINC001158307641 938606757 /nfs/dbraw/zinc/60/67/57/938606757.db2.gz FUVWQTSMDJTOJR-UHFFFAOYSA-N 1 0 287.254 1.927 20 5 CDBDRO [NH3+]Cc1cnnn1-c1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001158420361 938620901 /nfs/dbraw/zinc/62/09/01/938620901.db2.gz PDFYKSXVTXUFJF-UHFFFAOYSA-N 1 0 289.082 1.336 20 5 CDBDRO CC[N@@H+]1CCN(c2nc(Cl)ncc2[N+](=O)[O-])C(C)(C)C1 ZINC001158561342 938637339 /nfs/dbraw/zinc/63/73/39/938637339.db2.gz OWEJOKBCVVXVCH-UHFFFAOYSA-N 1 0 299.762 1.959 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)nc1NCC[C@H]1CCC[NH2+]1 ZINC001158629519 938643871 /nfs/dbraw/zinc/64/38/71/938643871.db2.gz ZWKHWLRZHPXFPB-SSDOTTSWSA-N 1 0 271.708 1.592 20 5 CDBDRO CCOc1nc(N2CC3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001159025088 938692409 /nfs/dbraw/zinc/69/24/09/938692409.db2.gz GAGQJNJJDIRMKC-UHFFFAOYSA-N 1 0 292.339 1.578 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001159743553 938748572 /nfs/dbraw/zinc/74/85/72/938748572.db2.gz HVTZOIDHKRLJCY-GFCCVEGCSA-N 1 0 277.284 1.007 20 5 CDBDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1ncc([N+](=O)[O-])cc1N)C2 ZINC001160473283 938789702 /nfs/dbraw/zinc/78/97/02/938789702.db2.gz UYFLOEDJZYCPPR-RTCCRHLQSA-N 1 0 291.355 1.999 20 5 CDBDRO COC(=O)c1cnc(N[C@@H](C[NH3+])C(C)(C)C)c([N+](=O)[O-])c1 ZINC001160913208 938842548 /nfs/dbraw/zinc/84/25/48/938842548.db2.gz IOOMDOHUJDXMOO-JTQLQIEISA-N 1 0 296.327 1.562 20 5 CDBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1cnc([N+](=O)[O-])cn1 ZINC001162467098 939062323 /nfs/dbraw/zinc/06/23/23/939062323.db2.gz PFZIIYTZEAQPAA-VHSXEESVSA-N 1 0 265.317 1.432 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1C[NH2+][C@H](C)C1 ZINC001162556472 939086565 /nfs/dbraw/zinc/08/65/65/939086565.db2.gz FBGIMVXUGWYXDI-NXEZZACHSA-N 1 0 293.323 1.791 20 5 CDBDRO COc1nc(C)nc(NC[C@H]2C[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC001162555049 939086972 /nfs/dbraw/zinc/08/69/72/939086972.db2.gz KKIHFHHMWRYVJL-VXNVDRBHSA-N 1 0 281.316 1.112 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1ccc(N(C)C)cc1[N+](=O)[O-] ZINC001162677871 939112883 /nfs/dbraw/zinc/11/28/83/939112883.db2.gz UALKSJXDKPCATA-MWLCHTKSSA-N 1 0 264.329 1.823 20 5 CDBDRO Cc1ccnc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)c1[N+](=O)[O-] ZINC001162792211 939141103 /nfs/dbraw/zinc/14/11/03/939141103.db2.gz GIJRCDMLHJSCCG-GARJFASQSA-N 1 0 260.297 1.484 20 5 CDBDRO COc1cc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)ncc1[N+](=O)[O-] ZINC001162791289 939141372 /nfs/dbraw/zinc/14/13/72/939141372.db2.gz APUBUQQGEUQBDK-LPEHRKFASA-N 1 0 276.296 1.184 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1NC1CC2(C1)CCC[NH2+]C2 ZINC001162982042 939168783 /nfs/dbraw/zinc/16/87/83/939168783.db2.gz KJSZUPGJYXHSRL-UHFFFAOYSA-N 1 0 277.328 1.516 20 5 CDBDRO CC(=O)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001163060318 939187391 /nfs/dbraw/zinc/18/73/91/939187391.db2.gz HHKNAGDRVCYGQF-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO COc1cc(C)c([N+](=O)[O-])cc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163146800 939212789 /nfs/dbraw/zinc/21/27/89/939212789.db2.gz ZWBBTZSGUTVDCZ-YUSALJHKSA-N 1 0 293.323 1.311 20 5 CDBDRO COc1cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)cnc1[N+](=O)[O-] ZINC001163267553 939235670 /nfs/dbraw/zinc/23/56/70/939235670.db2.gz YMFXJDZAMKSXQP-MIMYLULJSA-N 1 0 278.312 1.408 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NCC1([NH3+])CCC1 ZINC001163321730 939247112 /nfs/dbraw/zinc/24/71/12/939247112.db2.gz JBNVTJLJIVSUBF-UHFFFAOYSA-N 1 0 280.284 1.070 20 5 CDBDRO CC(C)N(c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)C(C)C ZINC001163576370 939289017 /nfs/dbraw/zinc/28/90/17/939289017.db2.gz IVWHUHFMGLYCLL-UHFFFAOYSA-N 1 0 279.344 1.695 20 5 CDBDRO CCOc1nc(N(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001163590019 939290387 /nfs/dbraw/zinc/29/03/87/939290387.db2.gz ISIYRCYTVDBZNY-UHFFFAOYSA-N 1 0 268.317 1.386 20 5 CDBDRO C[NH2+]C1CN(c2nc(SC)nc(Cl)c2[N+](=O)[O-])C1 ZINC001163702765 939310992 /nfs/dbraw/zinc/31/09/92/939310992.db2.gz OMXFONGIXWIPDH-UHFFFAOYSA-N 1 0 289.748 1.168 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC[C@@](C)(C[NH3+])CC1 ZINC001164246774 939441130 /nfs/dbraw/zinc/44/11/30/939441130.db2.gz CLPPXMCVSSJPEA-CQSZACIVSA-N 1 0 294.355 1.492 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001164467310 939476266 /nfs/dbraw/zinc/47/62/66/939476266.db2.gz GJUMNCOEIVQVDY-GXSJLCMTSA-N 1 0 280.328 1.100 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@@H](C[NH3+])CC[C@H]1C ZINC001164467312 939476367 /nfs/dbraw/zinc/47/63/67/939476367.db2.gz GJUMNCOEIVQVDY-MWLCHTKSSA-N 1 0 280.328 1.100 20 5 CDBDRO COc1cnc(N2CC[N@H+](C(C)C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001165199272 939522919 /nfs/dbraw/zinc/52/29/19/939522919.db2.gz NBCJBNQHCSOBEY-LLVKDONJSA-N 1 0 294.355 1.917 20 5 CDBDRO Cc1nc(N2CCC3(CC([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001165245578 939532379 /nfs/dbraw/zinc/53/23/79/939532379.db2.gz ULFREPXUMMVCBF-UHFFFAOYSA-N 1 0 277.328 1.401 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001165391488 939557244 /nfs/dbraw/zinc/55/72/44/939557244.db2.gz NZTNIUQMSDCOKQ-SCZZXKLOSA-N 1 0 252.249 1.070 20 5 CDBDRO [NH3+][C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1F ZINC001166927968 939650787 /nfs/dbraw/zinc/65/07/87/939650787.db2.gz MFILDOKJITUGRU-NKWVEPMBSA-N 1 0 260.656 1.129 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCC(=O)c1ccccc1O ZINC001210592054 940700803 /nfs/dbraw/zinc/70/08/03/940700803.db2.gz PBXIHRJWBKEYGR-NSHDSACASA-O 1 0 252.334 1.686 20 5 CDBDRO Cc1[nH+]cn(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c1N ZINC001211290871 940746143 /nfs/dbraw/zinc/74/61/43/940746143.db2.gz MORPHHDPPGHTAV-UHFFFAOYSA-N 1 0 277.240 1.888 20 5 CDBDRO O=[N+]([O-])c1nc(Br)ccc1O[C@H]1CC[NH2+]C1 ZINC001218179877 941041791 /nfs/dbraw/zinc/04/17/91/941041791.db2.gz RJMYJZAQBNYLHN-LURJTMIESA-N 1 0 288.101 1.493 20 5 CDBDRO [NH3+][C@@H](Cc1nnc(C2CC2)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC001217716155 941008909 /nfs/dbraw/zinc/00/89/09/941008909.db2.gz DEMPCFLTUBXFCR-LLVKDONJSA-N 1 0 288.307 1.968 20 5 CDBDRO Cc1nnc(C[C@H]([NH3+])Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001217716396 941009240 /nfs/dbraw/zinc/00/92/40/941009240.db2.gz IGZDBHDXSPCGTI-SNVBAGLBSA-N 1 0 262.269 1.399 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(O[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218278193 941050555 /nfs/dbraw/zinc/05/05/55/941050555.db2.gz ASMOGTVSIQICDU-SECBINFHSA-N 1 0 281.268 1.942 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ccnc1O[C@@H]1CCC[NH2+]C1 ZINC001218282745 941051253 /nfs/dbraw/zinc/05/12/53/941051253.db2.gz BBOJNMVSBYJIAC-SSDOTTSWSA-N 1 0 257.677 1.774 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ccccc1[N+](=O)[O-] ZINC001222760908 941632659 /nfs/dbraw/zinc/63/26/59/941632659.db2.gz XSKOFPJWRRDLLE-GFCCVEGCSA-N 1 0 297.331 1.095 20 5 CDBDRO Cc1ccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)s1 ZINC001223190827 941662608 /nfs/dbraw/zinc/66/26/08/941662608.db2.gz WXQAZHKAIUSXIT-LLVKDONJSA-N 1 0 272.390 1.557 20 5 CDBDRO C[N@@H+]1[C@@H]2C[C@@H](OCc3ccc([N+](=O)[O-])nc3)[C@H]1CC(=O)C2 ZINC001224108339 941720236 /nfs/dbraw/zinc/72/02/36/941720236.db2.gz FZNBDTNJBMGSEC-CYZMBNFOSA-N 1 0 291.307 1.311 20 5 CDBDRO CN1CCO[C@H](COCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224329976 941743360 /nfs/dbraw/zinc/74/33/60/941743360.db2.gz AHKIZEXUUJDDEZ-AWEZNQCLSA-N 1 0 280.324 1.485 20 5 CDBDRO CC1(C)OC[C@H]2OC=C[C@@H](OCC[N+](C)(C)C)[C@@H]2O1 ZINC001224773213 941790252 /nfs/dbraw/zinc/79/02/52/941790252.db2.gz FTQCZPLUDFDNKU-UPJWGTAASA-N 1 0 272.365 1.142 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])cn2)C1 ZINC001226732894 942060468 /nfs/dbraw/zinc/06/04/68/942060468.db2.gz AZBGLKIUFYHBBK-NSHDSACASA-N 1 0 266.301 1.636 20 5 CDBDRO Cc1cccc(O)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227138904 942139681 /nfs/dbraw/zinc/13/96/81/942139681.db2.gz DXCUAYZUHFMSAA-LLVKDONJSA-O 1 0 268.333 1.063 20 5 CDBDRO Cc1ccc(OC2CC[NH+](C)CC2)c([N+](=O)[O-])n1 ZINC001227220512 942152731 /nfs/dbraw/zinc/15/27/31/942152731.db2.gz SHMHOHZHTFKYKR-UHFFFAOYSA-N 1 0 251.286 1.771 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(Cl)nc1F ZINC001227286389 942163379 /nfs/dbraw/zinc/16/33/79/942163379.db2.gz IKWOUSLWWCZUSM-MRVPVSSYSA-N 1 0 291.730 1.237 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1[nH]c(=S)nc2nc[nH]c21 ZINC001227615970 942197345 /nfs/dbraw/zinc/19/73/45/942197345.db2.gz HZOXFWBDCWHBRW-SSDOTTSWSA-O 1 0 268.366 1.115 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](Oc2ncc([N+](=O)[O-])c3nc[nH]c32)C1 ZINC001227690953 942205157 /nfs/dbraw/zinc/20/51/57/942205157.db2.gz LJOVUWANNUSQIY-SECBINFHSA-N 1 0 291.311 1.729 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1noc2cc(F)ccc21 ZINC001227926043 942244678 /nfs/dbraw/zinc/24/46/78/942244678.db2.gz QSQLZRXXMXPBNJ-SNVBAGLBSA-N 1 0 297.306 1.330 20 5 CDBDRO COc1cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1F ZINC001228569484 942336571 /nfs/dbraw/zinc/33/65/71/942336571.db2.gz OSMOYPYIMXRBAD-SNVBAGLBSA-N 1 0 286.323 1.197 20 5 CDBDRO C[N@@H+]1CC[C@H](Oc2c3ccccc3oc(=O)c2[N+](=O)[O-])C1 ZINC001228802217 942379134 /nfs/dbraw/zinc/37/91/34/942379134.db2.gz GODCGPPLSKFSMN-VIFPVBQESA-N 1 0 290.275 1.784 20 5 CDBDRO C[N@@H+]1CCC[C@H](Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)CC1 ZINC001230229887 942592030 /nfs/dbraw/zinc/59/20/30/942592030.db2.gz HURMEBOROSBDKF-VIFPVBQESA-N 1 0 291.311 1.729 20 5 CDBDRO C[N@@H+]1CCC[C@@H](Oc2cc3n[nH]cc3cc2[N+](=O)[O-])C1 ZINC001230595034 942651426 /nfs/dbraw/zinc/65/14/26/942651426.db2.gz IHPHHLZDKOKATN-SNVBAGLBSA-N 1 0 276.296 1.944 20 5 CDBDRO C[C@@H](C[NH+](C)C)Oc1cc2n[nH]cc2cc1[N+](=O)[O-] ZINC001230596827 942652938 /nfs/dbraw/zinc/65/29/38/942652938.db2.gz USVDVHSNZZVVJO-QMMMGPOBSA-N 1 0 264.285 1.800 20 5 CDBDRO CCOC(=O)c1ccnnc1O[C@@H](C)C[N+](C)(C)C ZINC001230909427 942731444 /nfs/dbraw/zinc/73/14/44/942731444.db2.gz DKNRLCJQCKRLPT-JTQLQIEISA-N 1 0 268.337 1.127 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001263133956 943759244 /nfs/dbraw/zinc/75/92/44/943759244.db2.gz IIUIUEDBTVMZCW-TXFQPVFDSA-N 1 0 291.351 1.940 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C)C(=O)C1 ZINC001254534902 947516321 /nfs/dbraw/zinc/51/63/21/947516321.db2.gz DFTMIZNYKOIKBB-YPMHNXCESA-N 1 0 291.351 1.736 20 5 CDBDRO Cc1nc(CC[NH3+])nn1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254539723 947518470 /nfs/dbraw/zinc/51/84/70/947518470.db2.gz KBXZUYDRDCHDHT-JTQLQIEISA-N 1 0 289.339 1.800 20 5 CDBDRO COC(=O)[C@@H]1C[C@H]1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254548485 947522186 /nfs/dbraw/zinc/52/21/86/947522186.db2.gz MOUBDZLRWCXFNP-WCFLWFBJSA-N 1 0 292.335 1.925 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCOC[C@](C)(O)C1 ZINC001254552607 947522438 /nfs/dbraw/zinc/52/24/38/947522438.db2.gz NJYPLBPYXRUXMQ-SWLSCSKDSA-N 1 0 294.351 1.609 20 5 CDBDRO O=c1[nH]cccc1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254577194 947535654 /nfs/dbraw/zinc/53/56/54/947535654.db2.gz CSYOPMDTEBJNTD-CYBMUJFWSA-N 1 0 285.303 1.952 20 5 CDBDRO CCN1CC[C@@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254580148 947538161 /nfs/dbraw/zinc/53/81/61/947538161.db2.gz CIPUROHVOYLUIF-ZIAGYGMSSA-N 1 0 275.352 1.746 20 5 CDBDRO CC(=O)OCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254589861 947542552 /nfs/dbraw/zinc/54/25/52/947542552.db2.gz SOSQAVUKQNRVJA-GFCCVEGCSA-N 1 0 264.281 1.215 20 5 CDBDRO C[C@H]1CC[C@@H](CO)[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593549 947546831 /nfs/dbraw/zinc/54/68/31/947546831.db2.gz MVGZIIBHBSJDHF-LKTVYLICSA-N 1 0 276.336 1.907 20 5 CDBDRO Cn1ccnc1CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599745 947550727 /nfs/dbraw/zinc/55/07/27/947550727.db2.gz PSOMTXRWRSLDNP-CYBMUJFWSA-N 1 0 286.335 1.628 20 5 CDBDRO N[C@]12C[C@H]1C[N@@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001246870889 948496254 /nfs/dbraw/zinc/49/62/54/948496254.db2.gz PRUDTHSXKJBOKV-DZKIICNBSA-N 1 0 287.363 1.875 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001326274959 954295979 /nfs/dbraw/zinc/29/59/79/954295979.db2.gz FLLBVGPLTNCRSF-LLVKDONJSA-N 1 0 295.339 1.478 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCC[NH2+]C ZINC001326485861 954402575 /nfs/dbraw/zinc/40/25/75/954402575.db2.gz GSZCLCHSXICNSU-UHFFFAOYSA-N 1 0 280.328 1.318 20 5 CDBDRO [NH3+]C1(CC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC001328189391 955219433 /nfs/dbraw/zinc/21/94/33/955219433.db2.gz FSERBGGSSKLAIA-UHFFFAOYSA-N 1 0 275.308 1.709 20 5 CDBDRO Nc1cc(N2CC[NH+](CC3CC3)CC2)ncc1[N+](=O)[O-] ZINC001336471548 955757235 /nfs/dbraw/zinc/75/72/35/955757235.db2.gz DVMGKVVDZWMVFD-UHFFFAOYSA-N 1 0 277.328 1.104 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC001330084033 956267676 /nfs/dbraw/zinc/26/76/76/956267676.db2.gz CJFZFRPVDMTCQP-GASQSECBSA-N 1 0 289.335 1.688 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331466276 957082834 /nfs/dbraw/zinc/08/28/34/957082834.db2.gz JPTPWBPPQARIEU-NSHDSACASA-N 1 0 278.312 1.357 20 5 CDBDRO Cc1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001319838894 958747577 /nfs/dbraw/zinc/74/75/77/958747577.db2.gz UCEQBTYQFHYXCU-UHFFFAOYSA-N 1 0 260.297 1.959 20 5 CDBDRO CO[C@H](C)[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001336020672 960159739 /nfs/dbraw/zinc/15/97/39/960159739.db2.gz VITXOMJWAKSYOQ-LOWVWBTDSA-N 1 0 298.339 1.348 20 5 CDBDRO CO[C@@H](C)[C@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001336815073 960617933 /nfs/dbraw/zinc/61/79/33/960617933.db2.gz VXYKMGJEUAXMJA-OUJBWJOFSA-N 1 0 268.313 1.641 20 5 CDBDRO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC001340282127 962863277 /nfs/dbraw/zinc/86/32/77/962863277.db2.gz OEKQEMDBERPGGO-LEWSCRJBSA-N 1 0 289.335 1.519 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC2(C[NH2+]C2)CC1 ZINC001343944893 964189430 /nfs/dbraw/zinc/18/94/30/964189430.db2.gz IVECDTNLHOVOCN-UHFFFAOYSA-N 1 0 293.298 1.560 20 5 CDBDRO CC(C)C[C@H]([NH3+])C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001349403571 966336854 /nfs/dbraw/zinc/33/68/54/966336854.db2.gz MOACPXIUORQPNQ-ZDUSSCGKSA-N 1 0 277.324 1.810 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001350123847 966586329 /nfs/dbraw/zinc/58/63/29/966586329.db2.gz DGQDRUHYXSKAEA-QMMMGPOBSA-N 1 0 284.291 1.806 20 5 CDBDRO COC(=O)CC(C)(C)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC001352887155 967536148 /nfs/dbraw/zinc/53/61/48/967536148.db2.gz IIBRBJYEKXNOMT-UHFFFAOYSA-N 1 0 298.343 1.373 20 5 CDBDRO CC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001200471817 968286831 /nfs/dbraw/zinc/28/68/31/968286831.db2.gz JMFLRTCEGHKAFX-LSMGEYOZSA-N 1 0 295.383 1.589 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]CC12CC2 ZINC001356473607 969407355 /nfs/dbraw/zinc/40/73/55/969407355.db2.gz ZUOLWMLSSPLRFX-CYBMUJFWSA-N 1 0 289.335 1.396 20 5 CDBDRO CC1(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001132452044 1163307537 /nfs/dbraw/zinc/30/75/37/1163307537.db2.gz UIJMAXUAQMAONN-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO CC1(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001132452372 1163308479 /nfs/dbraw/zinc/30/84/79/1163308479.db2.gz YYDUNWHNEWWHQK-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000089091549 1173979197 /nfs/dbraw/zinc/97/91/97/1173979197.db2.gz XVUIINYJSCHJPY-CABZTGNLSA-N 1 0 278.312 1.844 20 5 CDBDRO CCCN(C(=O)[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC001573743448 1170752921 /nfs/dbraw/zinc/75/29/21/1170752921.db2.gz YRVACLQQUCRDFJ-LLVKDONJSA-N 1 0 277.324 1.947 20 5 CDBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000601151365 342482583 /nfs/dbraw/zinc/48/25/83/342482583.db2.gz XULFXWLCTPNEOY-XCBNKYQSSA-N 1 0 278.230 1.996 20 5 CDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000590404214 342544154 /nfs/dbraw/zinc/54/41/54/342544154.db2.gz XQIPCBKAQUEQAX-VHSXEESVSA-N 1 0 280.328 1.098 20 5 CDBDRO CC(=O)c1cc(NCC[N@@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000599199818 343979767 /nfs/dbraw/zinc/97/97/67/343979767.db2.gz RJCPSKHUKZUDCV-LBPRGKRZSA-N 1 0 293.323 1.276 20 5 CDBDRO CC[C@H]([NH2+][C@@H]1COCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000601306822 342551317 /nfs/dbraw/zinc/55/13/17/342551317.db2.gz SGCMASTZQVVMJL-BFHYXJOUSA-N 1 0 280.324 1.785 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000601330786 342554793 /nfs/dbraw/zinc/55/47/93/342554793.db2.gz XITZBPLLGLXYST-WPRPVWTQSA-N 1 0 253.277 1.655 20 5 CDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000070169994 361739447 /nfs/dbraw/zinc/73/94/47/361739447.db2.gz BYNXGFGGMGJSJE-VIFPVBQESA-N 1 0 267.285 1.389 20 5 CDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000590580323 342577525 /nfs/dbraw/zinc/57/75/25/342577525.db2.gz AIGSJMPXMAWLDO-PWSUYJOCSA-N 1 0 291.355 1.493 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000135359684 342070618 /nfs/dbraw/zinc/07/06/18/342070618.db2.gz PROKOLDYSISEMQ-PWSUYJOCSA-N 1 0 277.324 1.855 20 5 CDBDRO C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000609200905 342095704 /nfs/dbraw/zinc/09/57/04/342095704.db2.gz CMVDZJIGADWQKI-JQWIXIFHSA-N 1 0 277.324 1.724 20 5 CDBDRO CC1(C)CN(c2ncc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000591444554 342632568 /nfs/dbraw/zinc/63/25/68/342632568.db2.gz RCXNVHWDIBVXLZ-UHFFFAOYSA-N 1 0 254.265 1.317 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591438147 342632024 /nfs/dbraw/zinc/63/20/24/342632024.db2.gz LRNIZTNHSGLNPP-KOLCDFICSA-N 1 0 265.288 1.922 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591438146 342632025 /nfs/dbraw/zinc/63/20/25/342632025.db2.gz LRNIZTNHSGLNPP-GXSJLCMTSA-N 1 0 265.288 1.922 20 5 CDBDRO C[N@@H+]1CCCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611699890 346848625 /nfs/dbraw/zinc/84/86/25/346848625.db2.gz IJSCKUAHQZMBCV-UHFFFAOYSA-N 1 0 287.323 1.680 20 5 CDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCC[NH3+] ZINC000591679782 342641657 /nfs/dbraw/zinc/64/16/57/342641657.db2.gz XMZHRORQMDXYJP-JTQLQIEISA-N 1 0 297.380 1.883 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCC1CC1 ZINC000591744862 342645069 /nfs/dbraw/zinc/64/50/69/342645069.db2.gz UPGLWJLUUPZFGJ-GFCCVEGCSA-N 1 0 280.324 1.724 20 5 CDBDRO CC1([NH3+])CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000592331581 342685541 /nfs/dbraw/zinc/68/55/41/342685541.db2.gz XDHIRESJFQTSEA-UHFFFAOYSA-N 1 0 269.326 1.610 20 5 CDBDRO O=C(C[C@H]1CCC[NH2+]1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000592136386 342672502 /nfs/dbraw/zinc/67/25/02/342672502.db2.gz QTZAQRLUIWFOCY-LLVKDONJSA-N 1 0 293.323 1.232 20 5 CDBDRO CC[C@H](C)C[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000088297310 342157055 /nfs/dbraw/zinc/15/70/55/342157055.db2.gz UWSDWNJPOYDQMT-GVXVVHGQSA-N 1 0 284.360 1.567 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(C3CCC3)CC2)c1 ZINC000593079922 342763158 /nfs/dbraw/zinc/76/31/58/342763158.db2.gz INGYORXIESDJPT-LBPRGKRZSA-N 1 0 280.328 1.075 20 5 CDBDRO C[C@@H](CO)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000593084517 342763505 /nfs/dbraw/zinc/76/35/05/342763505.db2.gz QHCGWOUXHFBFRP-NSHDSACASA-N 1 0 282.344 1.132 20 5 CDBDRO O=[N+]([O-])c1ccc(Cn2cc(C[NH2+]C3CC3)nn2)cc1 ZINC000090297747 342181487 /nfs/dbraw/zinc/18/14/87/342181487.db2.gz GVBOADKUSCZVRJ-UHFFFAOYSA-N 1 0 273.296 1.487 20 5 CDBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC(C)(C)C ZINC000075685054 342190173 /nfs/dbraw/zinc/19/01/73/342190173.db2.gz GNVATXKAVRIOLH-NSHDSACASA-N 1 0 270.333 1.130 20 5 CDBDRO CN(CCC[NH+](C)C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593580547 342814270 /nfs/dbraw/zinc/81/42/70/342814270.db2.gz LOAGAGLQRUVDIQ-UHFFFAOYSA-N 1 0 297.330 1.687 20 5 CDBDRO C[C@H]1C[NH2+]CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000125474551 187186903 /nfs/dbraw/zinc/18/69/03/187186903.db2.gz KCCDXRUZHQZSFL-NSHDSACASA-N 1 0 293.323 1.184 20 5 CDBDRO CCNC(=O)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000157959214 342212786 /nfs/dbraw/zinc/21/27/86/342212786.db2.gz FZWPBWNGXKQKJE-LLVKDONJSA-N 1 0 279.340 1.642 20 5 CDBDRO Cc1ccnc(N[C@@H](C)Cn2ccnc2)c1[N+](=O)[O-] ZINC000070496112 361983360 /nfs/dbraw/zinc/98/33/60/361983360.db2.gz OXMSXYIUWCMYHG-JTQLQIEISA-N 1 0 261.285 1.995 20 5 CDBDRO COc1cc(C[NH2+]C[C@@H](O)C2CC2)c([N+](=O)[O-])cc1OC ZINC000265254752 361967477 /nfs/dbraw/zinc/96/74/77/361967477.db2.gz PJZNOXUQAQMSRN-GFCCVEGCSA-N 1 0 296.323 1.473 20 5 CDBDRO CN(CC[NH+]1CCCCC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000593884626 342844724 /nfs/dbraw/zinc/84/47/24/342844724.db2.gz UJOZYGHAOOKUKH-UHFFFAOYSA-N 1 0 280.328 1.481 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000594427876 342897130 /nfs/dbraw/zinc/89/71/30/342897130.db2.gz LMWFEFCLBYZNCN-UKRRQHHQSA-N 1 0 289.335 1.601 20 5 CDBDRO CCCN(CC(=O)N(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000056510750 342237205 /nfs/dbraw/zinc/23/72/05/342237205.db2.gz FRPQVDKMEFHETP-UHFFFAOYSA-N 1 0 279.340 1.895 20 5 CDBDRO C[C@H](CF)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000588930535 342237442 /nfs/dbraw/zinc/23/74/42/342237442.db2.gz LSBNOCXYTRUSRN-MRVPVSSYSA-N 1 0 270.260 1.814 20 5 CDBDRO CC[C@@H]([NH2+]C[C@@H]1COCCN1)c1cccc([N+](=O)[O-])c1 ZINC000600710980 342243724 /nfs/dbraw/zinc/24/37/24/342243724.db2.gz RCDDCEGLUMLYGK-TZMCWYRMSA-N 1 0 279.340 1.624 20 5 CDBDRO [NH3+][C@@H](c1cn(-c2ccc([N+](=O)[O-])cc2)nn1)[C@H]1CCCO1 ZINC000594639756 342938851 /nfs/dbraw/zinc/93/88/51/342938851.db2.gz AKSRSEYULSUPMK-OLZOCXBDSA-N 1 0 289.295 1.354 20 5 CDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000127757943 342284520 /nfs/dbraw/zinc/28/45/20/342284520.db2.gz VSTONMBOIFYKCI-NSHDSACASA-N 1 0 282.344 1.379 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCOCCO ZINC000595034051 342997398 /nfs/dbraw/zinc/99/73/98/342997398.db2.gz PBZMMMYGBSMHHF-LLVKDONJSA-N 1 0 298.339 1.653 20 5 CDBDRO Cc1c(C[NH2+][C@H](C)Cn2cncn2)cccc1[N+](=O)[O-] ZINC000595039406 342998168 /nfs/dbraw/zinc/99/81/68/342998168.db2.gz DZIVISNWSFBKRV-SNVBAGLBSA-N 1 0 275.312 1.673 20 5 CDBDRO COC[C@@H](CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000619466054 349733101 /nfs/dbraw/zinc/73/31/01/349733101.db2.gz YBXOUBRPQDEBOU-GHMZBOCLSA-N 1 0 268.313 1.561 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000595231036 343009777 /nfs/dbraw/zinc/00/97/77/343009777.db2.gz YSPQJWHJCHHZRU-VIFPVBQESA-N 1 0 266.301 1.633 20 5 CDBDRO CCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000174024916 529603971 /nfs/dbraw/zinc/60/39/71/529603971.db2.gz PHRITVWBKYRVTM-UHFFFAOYSA-N 1 0 291.351 1.983 20 5 CDBDRO CC[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075616204 342313414 /nfs/dbraw/zinc/31/34/14/342313414.db2.gz LLTBWCGTLSXBCJ-YPMHNXCESA-N 1 0 282.344 1.417 20 5 CDBDRO C[C@H](C1CC1)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000075637563 342313943 /nfs/dbraw/zinc/31/39/43/342313943.db2.gz BXAFWWOYLUYBQE-QMTHXVAHSA-N 1 0 294.355 1.415 20 5 CDBDRO C[NH+](C)CCN1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000075669293 342314228 /nfs/dbraw/zinc/31/42/28/342314228.db2.gz KHJKNRFHIGSHFR-UHFFFAOYSA-N 1 0 293.371 1.428 20 5 CDBDRO CCc1nn(C)c(NC[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000091562511 349778632 /nfs/dbraw/zinc/77/86/32/349778632.db2.gz IYUGTZQZFQBIBL-SNVBAGLBSA-N 1 0 293.371 1.787 20 5 CDBDRO C[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1CO ZINC000595459336 343069881 /nfs/dbraw/zinc/06/98/81/343069881.db2.gz NHCGFLABYCRUEF-ZANVPECISA-N 1 0 268.288 1.937 20 5 CDBDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000451934252 362042504 /nfs/dbraw/zinc/04/25/04/362042504.db2.gz GHRNIDGECZJGSO-TZMCWYRMSA-N 1 0 280.324 1.797 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000382478356 362085390 /nfs/dbraw/zinc/08/53/90/362085390.db2.gz DOLABKJOMDEOQG-YUMQZZPRSA-N 1 0 269.326 1.514 20 5 CDBDRO C[NH+](C)C1(CNc2ccc(N)c([N+](=O)[O-])n2)CCCCC1 ZINC000596055514 343222058 /nfs/dbraw/zinc/22/20/58/343222058.db2.gz VOLRWRARPZDEIR-UHFFFAOYSA-N 1 0 293.371 1.670 20 5 CDBDRO Cc1cc(N2CCC[C@H]([NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000080600671 342357401 /nfs/dbraw/zinc/35/74/01/342357401.db2.gz DIIZIABMKLEGOO-NSHDSACASA-N 1 0 264.329 1.829 20 5 CDBDRO C[C@]1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]C1 ZINC000595991847 343213015 /nfs/dbraw/zinc/21/30/15/343213015.db2.gz MDXRHGQNZRGNJV-ZDUSSCGKSA-N 1 0 297.742 1.659 20 5 CDBDRO COC(=O)c1cc(C)nc(NCCC(C)(C)[NH3+])c1[N+](=O)[O-] ZINC001578852967 1172024695 /nfs/dbraw/zinc/02/46/95/1172024695.db2.gz HFAZYHXJLQYJNB-UHFFFAOYSA-N 1 0 296.327 1.624 20 5 CDBDRO C[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)[N@@H+]1CCC[C@H](C)C1 ZINC000596079052 343227115 /nfs/dbraw/zinc/22/71/15/343227115.db2.gz XIFBBOKBIMUWSC-WDEREUQCSA-N 1 0 293.371 1.526 20 5 CDBDRO C[N@H+](CCNc1cc[nH]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000596088211 343233481 /nfs/dbraw/zinc/23/34/81/343233481.db2.gz MNEOGXWWIIVLDD-UHFFFAOYSA-N 1 0 252.274 1.202 20 5 CDBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@@H+]1C ZINC000596147431 343244042 /nfs/dbraw/zinc/24/40/42/343244042.db2.gz WYZWOTHNRQFWAQ-KOLCDFICSA-N 1 0 292.339 1.588 20 5 CDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596181712 343250334 /nfs/dbraw/zinc/25/03/34/343250334.db2.gz DSHFOPFLIJGQJY-UWVGGRQHSA-N 1 0 292.339 1.223 20 5 CDBDRO CC(C)[NH2+]C1(CO)CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000596250592 343274433 /nfs/dbraw/zinc/27/44/33/343274433.db2.gz HAZRLJWYWSWTCP-UHFFFAOYSA-N 1 0 294.355 1.319 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596236703 343282557 /nfs/dbraw/zinc/28/25/57/343282557.db2.gz LMAZNRFUAJCATF-JTQLQIEISA-N 1 0 294.355 1.834 20 5 CDBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000596474746 343326127 /nfs/dbraw/zinc/32/61/27/343326127.db2.gz BUQCEUYVEZVDPQ-LLVKDONJSA-N 1 0 294.355 1.773 20 5 CDBDRO COc1c(C(=O)N2CC(C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000597705514 343604454 /nfs/dbraw/zinc/60/44/54/343604454.db2.gz FPHPYHCOERUPKR-UHFFFAOYSA-N 1 0 293.323 1.237 20 5 CDBDRO C[C@H](CCNC(=O)COc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000597995055 343684138 /nfs/dbraw/zinc/68/41/38/343684138.db2.gz DVNHBTZNYQPFPC-LLVKDONJSA-N 1 0 295.339 1.430 20 5 CDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000598666871 343862137 /nfs/dbraw/zinc/86/21/37/343862137.db2.gz AOUIZQIZFGSRPX-BXUZGUMPSA-N 1 0 275.308 1.548 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598671058 343872447 /nfs/dbraw/zinc/87/24/47/343872447.db2.gz XJOVCDVISSXETC-XPTSAGLGSA-N 1 0 290.323 1.130 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1C[C@@H](O)C1)OCCO2 ZINC000599008268 343938986 /nfs/dbraw/zinc/93/89/86/343938986.db2.gz XPESLHIQKQEXCI-JGZJWPJOSA-N 1 0 294.307 1.227 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1C[NH2+]C1 ZINC000598914561 343919584 /nfs/dbraw/zinc/91/95/84/343919584.db2.gz HIZLYJSNFRPPDO-UHFFFAOYSA-N 1 0 270.676 1.342 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCN1CC[C@@H](O)C1 ZINC000599085122 343951067 /nfs/dbraw/zinc/95/10/67/343951067.db2.gz MVGYBUJGXXYEMG-BXUZGUMPSA-N 1 0 291.351 1.238 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601568302 344192883 /nfs/dbraw/zinc/19/28/83/344192883.db2.gz PULAMWAOTHMANF-ONGXEEELSA-N 1 0 276.296 1.481 20 5 CDBDRO C[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000602105928 344336742 /nfs/dbraw/zinc/33/67/42/344336742.db2.gz BQTOPWAEEBXBTM-SNVBAGLBSA-N 1 0 265.313 1.204 20 5 CDBDRO C[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000602431343 344423799 /nfs/dbraw/zinc/42/37/99/344423799.db2.gz AYBGEFTZZUIVDF-DTORHVGOSA-N 1 0 281.287 1.556 20 5 CDBDRO Cc1c(C(=O)N2C[C@@H]([NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000602601157 344505385 /nfs/dbraw/zinc/50/53/85/344505385.db2.gz YUDLVCBKMXHERU-SCZZXKLOSA-N 1 0 263.297 1.465 20 5 CDBDRO C[C@@]1(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000602487656 344449863 /nfs/dbraw/zinc/44/98/63/344449863.db2.gz XOFIKAOCWIQBFH-CQSZACIVSA-N 1 0 295.314 1.853 20 5 CDBDRO C[C@H](CO)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602520749 344452382 /nfs/dbraw/zinc/45/23/82/344452382.db2.gz IVNJQHLQUMDDSU-NSHDSACASA-N 1 0 294.355 1.177 20 5 CDBDRO CC(C)(O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602550556 344464295 /nfs/dbraw/zinc/46/42/95/344464295.db2.gz KQLHKHQGZFREFT-UHFFFAOYSA-N 1 0 294.355 1.319 20 5 CDBDRO Cn1cc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])n1 ZINC000602623521 344500630 /nfs/dbraw/zinc/50/06/30/344500630.db2.gz HLLGHNJMZFIVMF-KOLCDFICSA-N 1 0 250.302 1.703 20 5 CDBDRO Cc1cnc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])o1 ZINC000602660087 344533172 /nfs/dbraw/zinc/53/31/72/344533172.db2.gz YEXPRBNCLVSAPR-UHFFFAOYSA-N 1 0 276.296 1.857 20 5 CDBDRO CO[C@H](C)C[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602826721 344612841 /nfs/dbraw/zinc/61/28/41/344612841.db2.gz JILQKQAKNQXPNH-SECBINFHSA-N 1 0 256.306 1.066 20 5 CDBDRO COc1cc(C(=O)NCC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000120545744 362460087 /nfs/dbraw/zinc/46/00/87/362460087.db2.gz CHAMNWGEGVBPNR-UHFFFAOYSA-N 1 0 293.323 1.333 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CC1(C)C ZINC000602842201 344621995 /nfs/dbraw/zinc/62/19/95/344621995.db2.gz QTWSZLJWUPZDLQ-GFCCVEGCSA-N 1 0 296.371 1.847 20 5 CDBDRO C[NH2+][C@@H](C)c1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000603225035 344738264 /nfs/dbraw/zinc/73/82/64/344738264.db2.gz ZWNVYGRQJHZBIN-QMMMGPOBSA-N 1 0 279.275 1.654 20 5 CDBDRO COC[C@H](CO)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000603430251 344802902 /nfs/dbraw/zinc/80/29/02/344802902.db2.gz YIQDTDHAEODLIY-GXJZLWQJSA-N 1 0 280.324 1.595 20 5 CDBDRO Cc1ccc(C(=O)N[C@@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000127290526 187294551 /nfs/dbraw/zinc/29/45/51/187294551.db2.gz QOWQDVFEYOUHGU-AWEZNQCLSA-N 1 0 277.324 1.760 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000127289554 187295226 /nfs/dbraw/zinc/29/52/26/187295226.db2.gz LNGAATYHELVPCY-AWEZNQCLSA-N 1 0 277.324 1.760 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000609489219 344954294 /nfs/dbraw/zinc/95/42/94/344954294.db2.gz CBAGYJQTFWJSEL-CYBMUJFWSA-N 1 0 277.324 1.695 20 5 CDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000129340888 345315110 /nfs/dbraw/zinc/31/51/10/345315110.db2.gz NYUVPWIMLDAMRB-QWHCGFSZSA-N 1 0 264.325 1.886 20 5 CDBDRO Cc1ccc(N[C@H](C)CN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000080617556 345617981 /nfs/dbraw/zinc/61/79/81/345617981.db2.gz HLFZHGYEWDDXEX-CYBMUJFWSA-N 1 0 292.383 1.951 20 5 CDBDRO CO[C@]1(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000160277741 345772848 /nfs/dbraw/zinc/77/28/48/345772848.db2.gz FNJRJOPHNXRMAH-AWEZNQCLSA-N 1 0 296.323 1.369 20 5 CDBDRO Cc1n[nH]c(C(=O)N(C)CCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000610473560 346288182 /nfs/dbraw/zinc/28/81/82/346288182.db2.gz FALMXHVYLDBWHT-UHFFFAOYSA-N 1 0 283.332 1.040 20 5 CDBDRO O=[N+]([O-])c1sccc1N1CC[NH+](C2CCOCC2)CC1 ZINC000610480109 346290175 /nfs/dbraw/zinc/29/01/75/346290175.db2.gz UOODLYWURKDGOJ-UHFFFAOYSA-N 1 0 297.380 1.957 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000085365759 179036341 /nfs/dbraw/zinc/03/63/41/179036341.db2.gz VDNCFWZHFHNMIT-BIMULSAOSA-N 1 0 277.324 1.899 20 5 CDBDRO C[C@H](C(=O)NCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000584832631 346449064 /nfs/dbraw/zinc/44/90/64/346449064.db2.gz XQFYHLRVDHPTQV-JTQLQIEISA-N 1 0 265.313 1.376 20 5 CDBDRO Cc1cc(N2CC[C@H](OCC[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000611132785 346616982 /nfs/dbraw/zinc/61/69/82/346616982.db2.gz MYOBIQKHPVMEGO-LBPRGKRZSA-N 1 0 294.355 1.455 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000068341992 347563445 /nfs/dbraw/zinc/56/34/45/347563445.db2.gz AXZSTSJISOLGBW-ZDUSSCGKSA-N 1 0 277.324 1.761 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[C@H]1[NH3+] ZINC000122546859 347655786 /nfs/dbraw/zinc/65/57/86/347655786.db2.gz HEZZFUBAXHJKIR-NXEZZACHSA-N 1 0 280.328 1.133 20 5 CDBDRO CC(C)[NH+](CCNC(=O)c1cc([N+](=O)[O-])c[nH]1)C(C)C ZINC000054373476 347821093 /nfs/dbraw/zinc/82/10/93/347821093.db2.gz KJRUOUPVZZILOC-UHFFFAOYSA-N 1 0 282.344 1.772 20 5 CDBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000054373793 347821457 /nfs/dbraw/zinc/82/14/57/347821457.db2.gz SJNBAKVFHSAAHW-UHFFFAOYSA-N 1 0 268.317 1.241 20 5 CDBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000090573769 347784686 /nfs/dbraw/zinc/78/46/86/347784686.db2.gz UNNRTDOLHPCPLL-HUBLWGQQSA-N 1 0 293.367 1.965 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000089090815 179697942 /nfs/dbraw/zinc/69/79/42/179697942.db2.gz CKYVEOLAVILGQZ-VXNVDRBHSA-N 1 0 269.326 1.514 20 5 CDBDRO C[N@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000067701760 349034015 /nfs/dbraw/zinc/03/40/15/349034015.db2.gz FVXBQWKIJANQBJ-UHFFFAOYSA-N 1 0 277.324 1.348 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000068342268 349062649 /nfs/dbraw/zinc/06/26/49/349062649.db2.gz PZVPPHXSLJUARS-ZDUSSCGKSA-N 1 0 291.351 1.690 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000089459237 179795206 /nfs/dbraw/zinc/79/52/06/179795206.db2.gz ZLXUTZAWWXUKFR-TZMCWYRMSA-N 1 0 291.351 1.629 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000091300081 180126561 /nfs/dbraw/zinc/12/65/61/180126561.db2.gz HOYZYCVSABZPKW-NSHDSACASA-N 1 0 279.296 1.220 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091546652 180187118 /nfs/dbraw/zinc/18/71/18/180187118.db2.gz AESFQYBGUXRNFM-ZJUUUORDSA-N 1 0 263.297 1.969 20 5 CDBDRO CC[N@@H+]1CCCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000307855648 350378028 /nfs/dbraw/zinc/37/80/28/350378028.db2.gz DOPPUSATADWBOD-UHFFFAOYSA-N 1 0 265.317 1.104 20 5 CDBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000454342302 252343313 /nfs/dbraw/zinc/34/33/13/252343313.db2.gz MGFJVTQXUHEUMQ-UHFFFAOYSA-N 1 0 292.339 1.670 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000313333636 350833909 /nfs/dbraw/zinc/83/39/09/350833909.db2.gz FMPQTFJEAAOMFF-GFCCVEGCSA-N 1 0 293.323 1.093 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H](O)C1CC1 ZINC000079770551 350967776 /nfs/dbraw/zinc/96/77/76/350967776.db2.gz PJYUHGDCMBRLFX-CYBMUJFWSA-N 1 0 280.324 1.806 20 5 CDBDRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000068592528 351110625 /nfs/dbraw/zinc/11/06/25/351110625.db2.gz GUTABHFLJMHAAD-BZPMIXESSA-N 1 0 296.371 1.711 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000036782265 363013913 /nfs/dbraw/zinc/01/39/13/363013913.db2.gz NWWHHMZOCLTZAL-JTQLQIEISA-N 1 0 277.324 1.832 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000123795815 351286890 /nfs/dbraw/zinc/28/68/90/351286890.db2.gz AENXONHKCCENNQ-SCZZXKLOSA-N 1 0 271.342 1.204 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CCN1Cc1csc([N+](=O)[O-])c1 ZINC000124533180 351351116 /nfs/dbraw/zinc/35/11/16/351351116.db2.gz RAAFKFKDQVSFKK-WPRPVWTQSA-N 1 0 255.343 1.968 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000156420953 351488542 /nfs/dbraw/zinc/48/85/42/351488542.db2.gz OQEOOVQYFDVHCB-PWSUYJOCSA-N 1 0 293.323 1.091 20 5 CDBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000122682015 187045258 /nfs/dbraw/zinc/04/52/58/187045258.db2.gz LYWMIKMQBLPCCK-SECBINFHSA-N 1 0 269.301 1.633 20 5 CDBDRO COc1cc(NCC[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000142319130 187910037 /nfs/dbraw/zinc/91/00/37/187910037.db2.gz OXSDZCUWNRMQAV-UHFFFAOYSA-N 1 0 269.301 1.586 20 5 CDBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](CO)C(C)(C)C ZINC000154660542 188156274 /nfs/dbraw/zinc/15/62/74/188156274.db2.gz QUSZUVXGBSGQSK-KBPBESRZSA-N 1 0 296.367 1.967 20 5 CDBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000155104757 188183704 /nfs/dbraw/zinc/18/37/04/188183704.db2.gz FYHPNXLQCQPYRD-MNOVXSKESA-N 1 0 293.323 1.548 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000156287040 188253075 /nfs/dbraw/zinc/25/30/75/188253075.db2.gz UOTHNAIVLUVPCD-UWVGGRQHSA-N 1 0 292.339 1.376 20 5 CDBDRO Nc1c(C(=O)NCC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000157291249 188307686 /nfs/dbraw/zinc/30/76/86/188307686.db2.gz KGDNBRLRYWXQJU-UHFFFAOYSA-N 1 0 292.339 1.393 20 5 CDBDRO COc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000094339358 366138574 /nfs/dbraw/zinc/13/85/74/366138574.db2.gz OAIPZDGFZFCBNB-GXSJLCMTSA-N 1 0 293.323 1.413 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293421591 198631354 /nfs/dbraw/zinc/63/13/54/198631354.db2.gz NSZFUWSREGFQOW-RNCFNFMXSA-N 1 0 290.323 1.001 20 5 CDBDRO COC[C@@H]1C[C@H](O)CN1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000411908725 363376065 /nfs/dbraw/zinc/37/60/65/363376065.db2.gz IRZZPPSHWRKKGZ-RYUDHWBXSA-N 1 0 296.323 1.185 20 5 CDBDRO Cc1c(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000411942607 363378710 /nfs/dbraw/zinc/37/87/10/363378710.db2.gz PWTNUYMYVGGCEN-CYBMUJFWSA-N 1 0 291.351 1.813 20 5 CDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1CC[NH2+]C1 ZINC000272986331 192007886 /nfs/dbraw/zinc/00/78/86/192007886.db2.gz DURUFFBEMJIFOM-NSHDSACASA-N 1 0 292.339 1.123 20 5 CDBDRO Cn1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)n1 ZINC000336833246 356290208 /nfs/dbraw/zinc/29/02/08/356290208.db2.gz GKNXRZUIFWHBCK-UHFFFAOYSA-N 1 0 278.287 1.800 20 5 CDBDRO CCC[N@H+](C)CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000358570196 356307705 /nfs/dbraw/zinc/30/77/05/356307705.db2.gz ZEAKMPLTJLXXIH-UHFFFAOYSA-N 1 0 265.313 1.553 20 5 CDBDRO [NH3+]C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000164987689 356335640 /nfs/dbraw/zinc/33/56/40/356335640.db2.gz QSZZDGHGGAIEMO-LLVKDONJSA-N 1 0 285.731 1.408 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1Cn1ccnc1C[NH3+] ZINC000060280980 356908811 /nfs/dbraw/zinc/90/88/11/356908811.db2.gz MJNIUNWRRVWGLE-UHFFFAOYSA-N 1 0 262.269 1.307 20 5 CDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000287394790 358512953 /nfs/dbraw/zinc/51/29/53/358512953.db2.gz YORQJWBPPHZRNF-QWRGUYRKSA-N 1 0 293.323 1.887 20 5 CDBDRO C[C@@H]([NH2+]CCCC(=O)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293945053 198838857 /nfs/dbraw/zinc/83/88/57/198838857.db2.gz YWIXGPUJJUJAQG-SNVBAGLBSA-N 1 0 294.355 1.696 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000261929730 357341886 /nfs/dbraw/zinc/34/18/86/357341886.db2.gz JLNWUFZBGTVNGK-ZJUUUORDSA-N 1 0 293.323 1.413 20 5 CDBDRO C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC2(CCC2)O1 ZINC000566185013 357425831 /nfs/dbraw/zinc/42/58/31/357425831.db2.gz SWJSAIOJCXPTHX-SNVBAGLBSA-N 1 0 280.328 1.472 20 5 CDBDRO CCOCC[C@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000564853398 357436956 /nfs/dbraw/zinc/43/69/56/357436956.db2.gz BVQGNUOSLUKIID-ZDUSSCGKSA-N 1 0 282.340 1.514 20 5 CDBDRO CC(C)(O)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331340599 357594637 /nfs/dbraw/zinc/59/46/37/357594637.db2.gz NDLLBMNMXZIKSF-GHMZBOCLSA-N 1 0 282.344 1.636 20 5 CDBDRO Cc1cc(N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])s1 ZINC001579618369 1172225293 /nfs/dbraw/zinc/22/52/93/1172225293.db2.gz MXTIOJNVEMVPIO-MBTKJCJQSA-N 1 0 253.327 1.619 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC1CC[NH2+]CC1 ZINC000135211718 357769900 /nfs/dbraw/zinc/76/99/00/357769900.db2.gz UWPXHPHCNGWWOC-UHFFFAOYSA-N 1 0 263.297 1.006 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135230683 357799551 /nfs/dbraw/zinc/79/95/51/357799551.db2.gz PMVFQRZNJANGPP-QMMMGPOBSA-N 1 0 269.276 1.319 20 5 CDBDRO COc1ccc(CN2CCCOCC2)cc1[N+](=O)[O-] ZINC000332203473 358047692 /nfs/dbraw/zinc/04/76/92/358047692.db2.gz CYPDTRFEEMUVNZ-UHFFFAOYSA-N 1 0 266.297 1.826 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000294690331 199136355 /nfs/dbraw/zinc/13/63/55/199136355.db2.gz ADQIOXYFPLQGJA-NSHDSACASA-N 1 0 294.355 1.275 20 5 CDBDRO C[C@H]([NH2+]CCN1CCCOCC1)c1ccccc1[N+](=O)[O-] ZINC000361348038 358165602 /nfs/dbraw/zinc/16/56/02/358165602.db2.gz GPFHCLJLGZEVFX-ZDUSSCGKSA-N 1 0 293.367 1.968 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[C@H]1[NH3+] ZINC000094339381 358178689 /nfs/dbraw/zinc/17/86/89/358178689.db2.gz FHBPKEICLFUFNC-PRHODGIISA-N 1 0 281.287 1.543 20 5 CDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000192489600 358207638 /nfs/dbraw/zinc/20/76/38/358207638.db2.gz NLTCKRAXPXWMNH-TXEJJXNPSA-N 1 0 275.308 1.228 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)c1cc(N)ccc1[N+](=O)[O-] ZINC000193502954 358299887 /nfs/dbraw/zinc/29/98/87/358299887.db2.gz CCHNBEQTHDUHCI-UHFFFAOYSA-N 1 0 264.329 1.707 20 5 CDBDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000193632559 358311548 /nfs/dbraw/zinc/31/15/48/358311548.db2.gz UNJOXUJOIBWXSW-GWCFXTLKSA-N 1 0 293.323 1.088 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+](CCCO)C2)c(F)c1 ZINC000294844158 199209353 /nfs/dbraw/zinc/20/93/53/199209353.db2.gz AIUSKFWBUFPVNP-NSHDSACASA-N 1 0 297.330 1.993 20 5 CDBDRO CNC(=O)C(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000120296758 358342435 /nfs/dbraw/zinc/34/24/35/358342435.db2.gz JINDKFZKRXRHJM-UHFFFAOYSA-N 1 0 265.313 1.457 20 5 CDBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])[nH]1 ZINC000294873971 199225181 /nfs/dbraw/zinc/22/51/81/199225181.db2.gz PKEAJSOHOAOSHA-VIFPVBQESA-N 1 0 266.301 1.185 20 5 CDBDRO Cc1sc(C(=O)N2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000195118868 358412037 /nfs/dbraw/zinc/41/20/37/358412037.db2.gz IOXXWVUBWBTGQZ-QMMMGPOBSA-N 1 0 269.326 1.528 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000567048751 358622704 /nfs/dbraw/zinc/62/27/04/358622704.db2.gz PNSDBVKEWZGACJ-IUCAKERBSA-N 1 0 296.327 1.851 20 5 CDBDRO CC[C@]1(C)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000341573464 358661643 /nfs/dbraw/zinc/66/16/43/358661643.db2.gz DRVMAULYUVACEV-CQSZACIVSA-N 1 0 279.340 1.879 20 5 CDBDRO CC[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000176239411 358745554 /nfs/dbraw/zinc/74/55/54/358745554.db2.gz NSIBMMSEFUQGKI-QWRGUYRKSA-N 1 0 268.317 1.291 20 5 CDBDRO C[C@H](O)[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000567727310 358724560 /nfs/dbraw/zinc/72/45/60/358724560.db2.gz KEUZFAHGVBCRPB-UWVGGRQHSA-N 1 0 277.324 1.978 20 5 CDBDRO Cn1cccc1[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176195960 358736913 /nfs/dbraw/zinc/73/69/13/358736913.db2.gz IMFQEDUBSICBQS-ZDUSSCGKSA-N 1 0 289.339 1.967 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000264937943 358778046 /nfs/dbraw/zinc/77/80/46/358778046.db2.gz HBWVRRIEJTXUEK-SNVBAGLBSA-N 1 0 250.302 1.378 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000070172557 358916221 /nfs/dbraw/zinc/91/62/21/358916221.db2.gz RIUJFSLRZFZNIV-UWVGGRQHSA-N 1 0 280.328 1.133 20 5 CDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC([NH3+])CC1 ZINC000021520827 358950870 /nfs/dbraw/zinc/95/08/70/358950870.db2.gz USKFWXPTVKRGMC-UHFFFAOYSA-N 1 0 299.352 1.015 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000087383804 359033613 /nfs/dbraw/zinc/03/36/13/359033613.db2.gz PMQPLRWEEUINRV-LLVKDONJSA-N 1 0 267.260 1.201 20 5 CDBDRO COc1cc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000450775891 359001340 /nfs/dbraw/zinc/00/13/40/359001340.db2.gz GQPUYLASKRMVFX-TVQRCGJNSA-N 1 0 295.314 1.883 20 5 CDBDRO C[C@@H](CCCO)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567875863 359085015 /nfs/dbraw/zinc/08/50/15/359085015.db2.gz MLWKFUZEHDJSLS-AAEUAGOBSA-N 1 0 298.339 1.085 20 5 CDBDRO COc1ccc(C[NH2+]C[C@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000353070837 359133601 /nfs/dbraw/zinc/13/36/01/359133601.db2.gz ISRPOWQGTGYCAX-GFCCVEGCSA-N 1 0 280.324 1.712 20 5 CDBDRO CC[N@H+](CCNC(=O)CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000338765403 359165254 /nfs/dbraw/zinc/16/52/54/359165254.db2.gz DTJAACBVGVGTGM-UHFFFAOYSA-N 1 0 297.359 1.028 20 5 CDBDRO Cc1cc(NC(=O)N(C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000569674479 359258592 /nfs/dbraw/zinc/25/85/92/359258592.db2.gz UCIGAUOVOIVADD-UHFFFAOYSA-N 1 0 266.301 1.716 20 5 CDBDRO CC(C)(C)[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(N)=O ZINC000131285232 359241185 /nfs/dbraw/zinc/24/11/85/359241185.db2.gz WFLBIKIOFFCDDB-UHFFFAOYSA-N 1 0 295.339 1.559 20 5 CDBDRO [NH3+]C1(C(=O)NCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000050015914 359276096 /nfs/dbraw/zinc/27/60/96/359276096.db2.gz HLGKQLSXKMVMBE-UHFFFAOYSA-N 1 0 277.324 1.873 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000049558838 359362370 /nfs/dbraw/zinc/36/23/70/359362370.db2.gz OZMYLBVWAFYUOC-SECBINFHSA-N 1 0 283.303 1.804 20 5 CDBDRO C[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000153174703 237010233 /nfs/dbraw/zinc/01/02/33/237010233.db2.gz FZKDBLMQTHQXIF-QWRGUYRKSA-N 1 0 293.323 1.182 20 5 CDBDRO CC[C@@H]1CN(CC[NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000487172206 359487798 /nfs/dbraw/zinc/48/77/98/359487798.db2.gz KZFWXEDWMHRRMR-GFCCVEGCSA-N 1 0 299.396 1.857 20 5 CDBDRO C[NH+](C)[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000571652701 359596566 /nfs/dbraw/zinc/59/65/66/359596566.db2.gz CCTRXKAKMCMXBP-STQMWFEESA-N 1 0 299.758 1.355 20 5 CDBDRO Cc1ccnc(N2CCN([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000362217609 359701749 /nfs/dbraw/zinc/70/17/49/359701749.db2.gz IRSXRSQQMZFNRN-GFCCVEGCSA-N 1 0 292.339 1.209 20 5 CDBDRO [NH3+][C@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000379677080 360017330 /nfs/dbraw/zinc/01/73/30/360017330.db2.gz MRTCWNFUHCWJMR-UJYKQDJBSA-N 1 0 275.308 1.462 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC[C@H]2CO)cc1 ZINC000231309607 360018286 /nfs/dbraw/zinc/01/82/86/360018286.db2.gz QHZZCOXEXHRWHB-JSGCOSHPSA-N 1 0 264.325 1.888 20 5 CDBDRO O=C(NCC[NH2+]C1CC1)c1csc([N+](=O)[O-])c1 ZINC000054265329 360066295 /nfs/dbraw/zinc/06/62/95/360066295.db2.gz ZFJKVERIXMLPEL-UHFFFAOYSA-N 1 0 255.299 1.138 20 5 CDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000354947448 360326688 /nfs/dbraw/zinc/32/66/88/360326688.db2.gz GIWCMFPSCKUOQB-SNVBAGLBSA-N 1 0 293.323 1.467 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000044540793 360505072 /nfs/dbraw/zinc/50/50/72/360505072.db2.gz IKJLSJVXUJMQFC-JTQLQIEISA-N 1 0 281.287 1.687 20 5 CDBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000487558153 360621885 /nfs/dbraw/zinc/62/18/85/360621885.db2.gz IXBYVIGSBDWOHR-PELKAZGASA-N 1 0 281.287 1.870 20 5 CDBDRO Nc1c(C(=O)NC[C@@H]2CCCC[NH2+]2)cc(F)cc1[N+](=O)[O-] ZINC000238062446 360718253 /nfs/dbraw/zinc/71/82/53/360718253.db2.gz MGZDGPXCAFUGJQ-VIFPVBQESA-N 1 0 296.302 1.188 20 5 CDBDRO C[C@]1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCC(=O)N1 ZINC000572497170 360979807 /nfs/dbraw/zinc/97/98/07/360979807.db2.gz FHKYHZWEBTUXBL-IUODEOHRSA-N 1 0 289.335 1.840 20 5 CDBDRO Cc1c([C@H](C)[NH2+]CCCOCCO)cccc1[N+](=O)[O-] ZINC000180244576 189246074 /nfs/dbraw/zinc/24/60/74/189246074.db2.gz RPKRNDYAIRGXTD-LBPRGKRZSA-N 1 0 282.340 1.953 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+]CCCOCCO)cc1[N+](=O)[O-] ZINC000180245330 189246202 /nfs/dbraw/zinc/24/62/02/189246202.db2.gz CLJAKBPPJJNMSZ-GFCCVEGCSA-N 1 0 282.340 1.953 20 5 CDBDRO CC(C)[C@@H](CO)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000180617564 189265924 /nfs/dbraw/zinc/26/59/24/189265924.db2.gz NOGHYGKFGXYZCM-CYBMUJFWSA-N 1 0 268.313 1.580 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000037982681 361287509 /nfs/dbraw/zinc/28/75/09/361287509.db2.gz OKXNCEYVVGEEDG-GFCCVEGCSA-N 1 0 298.364 1.428 20 5 CDBDRO C[NH2+]CCSCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000519551569 361387480 /nfs/dbraw/zinc/38/74/80/361387480.db2.gz XSCKJTFCIQIAFP-UHFFFAOYSA-N 1 0 295.364 1.437 20 5 CDBDRO CS(=O)(=O)c1ccc(NC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000053255204 361403831 /nfs/dbraw/zinc/40/38/31/361403831.db2.gz ZLBPCLHJGVVGLC-SECBINFHSA-N 1 0 299.352 1.162 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2COCCO2)cc1 ZINC000037998094 361523109 /nfs/dbraw/zinc/52/31/09/361523109.db2.gz IHYBCIVAFZDBOB-GFCCVEGCSA-N 1 0 252.270 1.100 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N(C)CCC[NH+](C)C ZINC000302026831 201305780 /nfs/dbraw/zinc/30/57/80/201305780.db2.gz QPGVHUGJTPQQHG-UHFFFAOYSA-N 1 0 252.318 1.686 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000088147748 364252857 /nfs/dbraw/zinc/25/28/57/364252857.db2.gz DVPNEMYSOCQZKZ-SNVBAGLBSA-N 1 0 263.297 1.385 20 5 CDBDRO Cc1cccc(OC[C@@H](O)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000312876211 364995626 /nfs/dbraw/zinc/99/56/26/364995626.db2.gz ZHUYAQCZFQUPDA-LBPRGKRZSA-N 1 0 282.340 1.983 20 5 CDBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000275811938 193135788 /nfs/dbraw/zinc/13/57/88/193135788.db2.gz IUZJFZFFOSVCNC-UHFFFAOYSA-N 1 0 280.328 1.479 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)C[NH3+] ZINC000414658701 241305353 /nfs/dbraw/zinc/30/53/53/241305353.db2.gz RDIASKKHHWPRAA-MRVPVSSYSA-N 1 0 282.300 1.320 20 5 CDBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2COC[C@H]2O)cc1[N+](=O)[O-] ZINC000295986034 370822654 /nfs/dbraw/zinc/82/26/54/370822654.db2.gz PCGALVZMTNWBGE-UFGOTCBOSA-N 1 0 296.323 1.404 20 5 CDBDRO C[C@H](CCCC[NH3+])NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415376966 241662809 /nfs/dbraw/zinc/66/28/09/241662809.db2.gz ACIKPGQCNOWZSZ-SECBINFHSA-N 1 0 281.316 1.051 20 5 CDBDRO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000130531630 367284793 /nfs/dbraw/zinc/28/47/93/367284793.db2.gz BWBMETPKHQNZHR-QPUJVOFHSA-N 1 0 281.312 1.915 20 5 CDBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000301069239 367607044 /nfs/dbraw/zinc/60/70/44/367607044.db2.gz DQAUDVNUUTVOJI-UHFFFAOYSA-N 1 0 298.299 1.277 20 5 CDBDRO [NH3+]C[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000417225629 242367015 /nfs/dbraw/zinc/36/70/15/242367015.db2.gz JRPIAYHMKLNVLM-ZDUSSCGKSA-N 1 0 292.339 1.174 20 5 CDBDRO C[C@@H](NC(=O)N1CC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417124844 242328271 /nfs/dbraw/zinc/32/82/71/242328271.db2.gz ADHGELLMFWGEPY-MWLCHTKSSA-N 1 0 278.312 1.398 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/CNC[C@@H]1CCC[NH2+]1 ZINC000414853893 367670357 /nfs/dbraw/zinc/67/03/57/367670357.db2.gz YMNLLDNWYXYBMU-YIALFULDSA-N 1 0 261.325 1.950 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418232211 242803643 /nfs/dbraw/zinc/80/36/43/242803643.db2.gz MJFLHYXDOVSDOS-BDAKNGLRSA-N 1 0 266.301 1.302 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418408149 243039090 /nfs/dbraw/zinc/03/90/90/243039090.db2.gz UGIZJGDAJDQGEI-GFCCVEGCSA-N 1 0 292.339 1.474 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000418711750 243365357 /nfs/dbraw/zinc/36/53/57/243365357.db2.gz NGFZGIVSKMERMU-SNVBAGLBSA-N 1 0 294.355 1.866 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000330603220 203025568 /nfs/dbraw/zinc/02/55/68/203025568.db2.gz HVHPOLJJVQVSGL-NWDGAFQWSA-N 1 0 291.351 1.688 20 5 CDBDRO COc1cc(C[NH2+][C@H]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1O ZINC000330612970 203038077 /nfs/dbraw/zinc/03/80/77/203038077.db2.gz YJXUDBRAFWYUMP-KOLCDFICSA-N 1 0 296.323 1.966 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000389724394 368837350 /nfs/dbraw/zinc/83/73/50/368837350.db2.gz JLRYCWBTAZBUIV-ONGXEEELSA-N 1 0 277.324 1.631 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000089106743 368975115 /nfs/dbraw/zinc/97/51/15/368975115.db2.gz DSEBWQGWVOSYMQ-DTWKUNHWSA-N 1 0 283.353 1.904 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000577194214 317284092 /nfs/dbraw/zinc/28/40/92/317284092.db2.gz FPJQGILPJKNLED-NSHDSACASA-N 1 0 264.329 1.829 20 5 CDBDRO Cc1ccnc(NCCC[C@@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000420268211 244000151 /nfs/dbraw/zinc/00/01/51/244000151.db2.gz HJLWHUSZRGVCAB-NSHDSACASA-N 1 0 264.329 1.664 20 5 CDBDRO C[C@@H](C[NH3+])N(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420286177 244027076 /nfs/dbraw/zinc/02/70/76/244027076.db2.gz FTQMLVQKPOQFKB-JTQLQIEISA-N 1 0 280.328 1.202 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CC[NH3+] ZINC000420380860 244176394 /nfs/dbraw/zinc/17/63/94/244176394.db2.gz ONKGXFZAUHVHLC-UHFFFAOYSA-N 1 0 280.328 1.122 20 5 CDBDRO C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000420387952 244187754 /nfs/dbraw/zinc/18/77/54/244187754.db2.gz GPAKQQSNPDZJAP-NEPJUHHUSA-N 1 0 279.340 1.656 20 5 CDBDRO [NH3+]C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CCCO1 ZINC000420385735 244184355 /nfs/dbraw/zinc/18/43/55/244184355.db2.gz HXDVRLCCPZHBTM-JTQLQIEISA-N 1 0 283.303 1.284 20 5 CDBDRO COC[C@](C)([NH3+])CNc1ncc(C)cc1[N+](=O)[O-] ZINC000266194036 370971638 /nfs/dbraw/zinc/97/16/38/370971638.db2.gz HFWWBDFNWNIHDR-LLVKDONJSA-N 1 0 254.290 1.074 20 5 CDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)[C@@H](O)C1 ZINC000351827570 369684432 /nfs/dbraw/zinc/68/44/32/369684432.db2.gz MFYIHPXFLCEOMF-NRUUGDAUSA-N 1 0 293.323 1.234 20 5 CDBDRO Cc1ccc(C[NH2+]CCC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000037751955 370055776 /nfs/dbraw/zinc/05/57/76/370055776.db2.gz CXODQOGXFXPCHD-UHFFFAOYSA-N 1 0 265.313 1.471 20 5 CDBDRO CC[NH2+]CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000414828541 370450319 /nfs/dbraw/zinc/45/03/19/370450319.db2.gz KQKWKXWRDQSZPD-UHFFFAOYSA-N 1 0 257.721 1.947 20 5 CDBDRO Nc1c(C(=O)NC[C@H]2CCC[NH2+]C2)cc(F)cc1[N+](=O)[O-] ZINC000129981341 370531196 /nfs/dbraw/zinc/53/11/96/370531196.db2.gz IIXHRWCYCVETKI-QMMMGPOBSA-N 1 0 296.302 1.046 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCC[NH3+] ZINC000422716524 245172649 /nfs/dbraw/zinc/17/26/49/245172649.db2.gz UIRYKPBBXTWXFO-UHFFFAOYSA-N 1 0 265.313 1.599 20 5 CDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000367890553 371116340 /nfs/dbraw/zinc/11/63/40/371116340.db2.gz GYDUYLAWZXYSST-QWHCGFSZSA-N 1 0 293.371 1.350 20 5 CDBDRO Cc1c(CC(=O)N[C@H]2CCC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000422864654 245351215 /nfs/dbraw/zinc/35/12/15/245351215.db2.gz NLEFSZJPFUKQFK-STQMWFEESA-N 1 0 291.351 1.689 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCO[C@@H](C[NH+](C)C)C1 ZINC000266504200 373057581 /nfs/dbraw/zinc/05/75/81/373057581.db2.gz BIEZTYPYOLOCND-STQMWFEESA-N 1 0 293.367 1.918 20 5 CDBDRO COCC[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269641618 373244599 /nfs/dbraw/zinc/24/45/99/373244599.db2.gz CNLUYYDNAFTPOP-LBPRGKRZSA-N 1 0 254.286 1.206 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000091135055 373748954 /nfs/dbraw/zinc/74/89/54/373748954.db2.gz MEHHQTDBVWJZIH-JTQLQIEISA-N 1 0 295.364 1.937 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000298714264 373803474 /nfs/dbraw/zinc/80/34/74/373803474.db2.gz WOLKBNFZLBUPEO-VIFPVBQESA-N 1 0 251.286 1.209 20 5 CDBDRO CCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000266516109 373944093 /nfs/dbraw/zinc/94/40/93/373944093.db2.gz GOLAUXJGBSDDQR-GFCCVEGCSA-N 1 0 268.317 1.027 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000091555691 374034575 /nfs/dbraw/zinc/03/45/75/374034575.db2.gz ZNYYOVUKBWESFE-MWLCHTKSSA-N 1 0 281.360 1.920 20 5 CDBDRO Cc1c(CC(=O)N[C@H](C)[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000423683931 245978289 /nfs/dbraw/zinc/97/82/89/245978289.db2.gz QSANKRWUHFJPGM-VHSXEESVSA-N 1 0 265.313 1.298 20 5 CDBDRO CC(C)(C)[C@H]([NH3+])C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423730177 246009564 /nfs/dbraw/zinc/00/95/64/246009564.db2.gz WCCIKRYZMIVJEK-SNVBAGLBSA-N 1 0 291.311 1.205 20 5 CDBDRO CCC[NH2+][C@@H](C)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423828359 246123280 /nfs/dbraw/zinc/12/32/80/246123280.db2.gz PPKCAVNWTHXKMV-JTQLQIEISA-N 1 0 292.339 1.263 20 5 CDBDRO COc1ccc(CN[C@H]2CCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000422943506 374364765 /nfs/dbraw/zinc/36/47/65/374364765.db2.gz KODNQCXAZNKALE-QWRGUYRKSA-N 1 0 265.313 1.573 20 5 CDBDRO O=[N+]([O-])c1cc(CN(C2CC2)[C@@H]2CC[NH2+]C2)cs1 ZINC000347131347 374352162 /nfs/dbraw/zinc/35/21/62/374352162.db2.gz QRVQFJOPLUSTGR-LLVKDONJSA-N 1 0 267.354 1.983 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000423857155 246150581 /nfs/dbraw/zinc/15/05/81/246150581.db2.gz YAPXSNTZEFYTQH-SECBINFHSA-N 1 0 283.715 1.474 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000423530188 374387836 /nfs/dbraw/zinc/38/78/36/374387836.db2.gz WONOWGGOUKSVDD-DGCLKSJQSA-N 1 0 279.340 1.542 20 5 CDBDRO Cc1ccc([C@H](C)NC[C@@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000423511227 374387920 /nfs/dbraw/zinc/38/79/20/374387920.db2.gz KDHPCUKDRRLSHG-JSGCOSHPSA-N 1 0 293.367 1.932 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000371309339 374414717 /nfs/dbraw/zinc/41/47/17/374414717.db2.gz XBBZOWNTMRFDSG-SNVBAGLBSA-N 1 0 250.302 1.560 20 5 CDBDRO CNC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116273801 374463038 /nfs/dbraw/zinc/46/30/38/374463038.db2.gz OCSKMANTTWFGLV-LLVKDONJSA-N 1 0 297.742 1.959 20 5 CDBDRO COc1ccc(C(=O)N(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000080389538 374464757 /nfs/dbraw/zinc/46/47/57/374464757.db2.gz YYZGNNHPMSXOPN-UHFFFAOYSA-N 1 0 281.312 1.237 20 5 CDBDRO C[NH+](C)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000299145777 374455630 /nfs/dbraw/zinc/45/56/30/374455630.db2.gz PSTRLZLXTZRAPA-UHFFFAOYSA-N 1 0 276.296 1.368 20 5 CDBDRO C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000423965428 246257422 /nfs/dbraw/zinc/25/74/22/246257422.db2.gz VVUQMPBHLKMMNK-BXKDBHETSA-N 1 0 295.364 1.493 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000376645478 374566508 /nfs/dbraw/zinc/56/65/08/374566508.db2.gz UNQVEXJUMDGHLK-RYUDHWBXSA-N 1 0 293.371 1.244 20 5 CDBDRO CN(CCCn1ccnc1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000161675989 374583480 /nfs/dbraw/zinc/58/34/80/374583480.db2.gz PYJHJXYUGINJPO-UHFFFAOYSA-N 1 0 278.268 1.547 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000070172559 374653446 /nfs/dbraw/zinc/65/34/46/374653446.db2.gz VIOAPSPGLWZCBC-DTWKUNHWSA-N 1 0 266.301 1.122 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000070173124 374653562 /nfs/dbraw/zinc/65/35/62/374653562.db2.gz NNNRSFODOAEYJC-IUCAKERBSA-N 1 0 266.301 1.122 20 5 CDBDRO Cc1nn(C)c(N(C)CC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000274456074 374673867 /nfs/dbraw/zinc/67/38/67/374673867.db2.gz JPYXSHXSIJXVDQ-UHFFFAOYSA-N 1 0 267.333 1.167 20 5 CDBDRO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N(C)C ZINC000447538333 374704097 /nfs/dbraw/zinc/70/40/97/374704097.db2.gz BDYVOEKMMHEUQY-AGIUHOORSA-N 1 0 295.387 1.815 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000447911842 374721340 /nfs/dbraw/zinc/72/13/40/374721340.db2.gz FOLSFGYZNHYDLB-DGCLKSJQSA-N 1 0 296.323 1.103 20 5 CDBDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000449462750 374812956 /nfs/dbraw/zinc/81/29/56/374812956.db2.gz VQBFICDHEWNIIR-BXUZGUMPSA-N 1 0 298.314 1.875 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000389846045 374764742 /nfs/dbraw/zinc/76/47/42/374764742.db2.gz QIKJCIBWEWMENI-VYBLIETJSA-N 1 0 289.335 1.722 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000277543007 374793929 /nfs/dbraw/zinc/79/39/29/374793929.db2.gz XDFYYPHTWIGBMQ-ADYIUWEDSA-N 1 0 289.335 1.817 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000330543871 374862772 /nfs/dbraw/zinc/86/27/72/374862772.db2.gz BJFXHZRLEPTSEA-LLVKDONJSA-N 1 0 294.355 1.773 20 5 CDBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCOC1 ZINC000280601900 375006242 /nfs/dbraw/zinc/00/62/42/375006242.db2.gz ODOOOMJPNVCLMI-ZJUUUORDSA-N 1 0 290.323 1.986 20 5 CDBDRO C[S@@](=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000282222266 375073266 /nfs/dbraw/zinc/07/32/66/375073266.db2.gz DZQDFWZJGAQBOO-GOSISDBHSA-N 1 0 268.338 1.596 20 5 CDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000332696093 375045112 /nfs/dbraw/zinc/04/51/12/375045112.db2.gz LKYMQEFXKWRVPJ-SNVBAGLBSA-N 1 0 280.328 1.337 20 5 CDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000332732603 375047268 /nfs/dbraw/zinc/04/72/68/375047268.db2.gz UVWNMUZSORMUSL-NSHDSACASA-N 1 0 294.355 1.727 20 5 CDBDRO Cc1n[nH]c(C(=O)N(C)CCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000281796683 375057240 /nfs/dbraw/zinc/05/72/40/375057240.db2.gz SRPZBYYZJMCWTP-UHFFFAOYSA-N 1 0 295.343 1.184 20 5 CDBDRO CC[NH+](CC)CCCCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299619508 375187048 /nfs/dbraw/zinc/18/70/48/375187048.db2.gz HNQVFMRQUJQRNI-UHFFFAOYSA-N 1 0 282.344 1.775 20 5 CDBDRO Cc1nn(C)c(N2CC[C@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000131683487 375315270 /nfs/dbraw/zinc/31/52/70/375315270.db2.gz XWNHYSKFWPTTES-GFCCVEGCSA-N 1 0 293.371 1.559 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000131963299 375390391 /nfs/dbraw/zinc/39/03/91/375390391.db2.gz MAVJTFZWQKKJJD-GHMZBOCLSA-N 1 0 277.324 1.713 20 5 CDBDRO COC[C@H](CCO)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344884246 375633608 /nfs/dbraw/zinc/63/36/08/375633608.db2.gz YMCZRFQXUWVAKM-BCNIOPEESA-N 1 0 294.351 1.985 20 5 CDBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000354572313 375725512 /nfs/dbraw/zinc/72/55/12/375725512.db2.gz QGTVAXYYBOLNCS-LBPRGKRZSA-N 1 0 291.355 1.553 20 5 CDBDRO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC[N@@H+]1C ZINC000345012233 375714969 /nfs/dbraw/zinc/71/49/69/375714969.db2.gz PIKONXUCNVKZJA-BDAKNGLRSA-N 1 0 266.301 1.135 20 5 CDBDRO Cc1nn(CC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000294216369 375773993 /nfs/dbraw/zinc/77/39/93/375773993.db2.gz NBRAELYOFZFFAP-UHFFFAOYSA-N 1 0 252.318 1.832 20 5 CDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000058926659 375841857 /nfs/dbraw/zinc/84/18/57/375841857.db2.gz VSCVJOKHOQVWQJ-LBPRGKRZSA-N 1 0 291.351 1.975 20 5 CDBDRO CC(C)(C(=O)NC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000428737500 247358423 /nfs/dbraw/zinc/35/84/23/247358423.db2.gz XZGZAGYDWBWPBG-UHFFFAOYSA-N 1 0 291.351 1.741 20 5 CDBDRO [NH3+]CCCc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000229831901 375960775 /nfs/dbraw/zinc/96/07/75/375960775.db2.gz OLWZCFZQLNJLOB-UHFFFAOYSA-N 1 0 261.285 1.126 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134270065 375946820 /nfs/dbraw/zinc/94/68/20/375946820.db2.gz LAOOPKCRRCCOKB-VIFPVBQESA-N 1 0 281.287 1.415 20 5 CDBDRO C[NH2+]C1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000429400508 247476521 /nfs/dbraw/zinc/47/65/21/247476521.db2.gz FJTMNQLHEMQRQP-UHFFFAOYSA-N 1 0 278.312 1.122 20 5 CDBDRO O=[N+]([O-])c1ccc(CCN(C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000435231024 248158835 /nfs/dbraw/zinc/15/88/35/248158835.db2.gz FSVZSQLWEYHZRG-HNNXBMFYSA-N 1 0 275.352 1.964 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435236588 248159355 /nfs/dbraw/zinc/15/93/55/248159355.db2.gz JVOGZLDVDSWWEQ-SECBINFHSA-N 1 0 265.269 1.154 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000189311619 377228751 /nfs/dbraw/zinc/22/87/51/377228751.db2.gz AGJPGIMCDNRNEJ-GWCFXTLKSA-N 1 0 277.324 1.774 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000189311601 377228935 /nfs/dbraw/zinc/22/89/35/377228935.db2.gz AGJPGIMCDNRNEJ-GXFFZTMASA-N 1 0 277.324 1.774 20 5 CDBDRO CCOC[C@@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000172188492 377340102 /nfs/dbraw/zinc/34/01/02/377340102.db2.gz QQEZOXWKRWPASU-LBPRGKRZSA-N 1 0 268.313 1.424 20 5 CDBDRO CCOC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000172722612 377718507 /nfs/dbraw/zinc/71/85/07/377718507.db2.gz RSRVDWLIBRCDPS-UHFFFAOYSA-N 1 0 268.317 1.292 20 5 CDBDRO CC(C)(CNc1ncc([N+](=O)[O-])cn1)C[NH+]1CCCC1 ZINC000276844458 377847047 /nfs/dbraw/zinc/84/70/47/377847047.db2.gz QGHLITUTQMMIEJ-UHFFFAOYSA-N 1 0 279.344 1.919 20 5 CDBDRO C[NH+](C)C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173624902 378736524 /nfs/dbraw/zinc/73/65/24/378736524.db2.gz WAXNSYABHMJBFX-UHFFFAOYSA-N 1 0 291.351 1.690 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574926505 378781792 /nfs/dbraw/zinc/78/17/92/378781792.db2.gz FHZKATHEMDWWCW-SKDRFNHKSA-N 1 0 277.324 1.696 20 5 CDBDRO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000266940276 378875702 /nfs/dbraw/zinc/87/57/02/378875702.db2.gz PRKXKWVJMFOCCQ-MNOVXSKESA-N 1 0 252.318 1.912 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@@H]3CCCOC3)nc2c1 ZINC000446848094 250318900 /nfs/dbraw/zinc/31/89/00/250318900.db2.gz FALVOOJBQKPZAC-JTQLQIEISA-N 1 0 290.323 1.987 20 5 CDBDRO Cc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c(=O)n1C ZINC000278873926 194192383 /nfs/dbraw/zinc/19/23/83/194192383.db2.gz YVBBEPONCGBOED-UHFFFAOYSA-N 1 0 287.319 1.892 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN(CCO)CCOC ZINC000175163247 379646890 /nfs/dbraw/zinc/64/68/90/379646890.db2.gz YPQJIIYFGNNZRK-UHFFFAOYSA-N 1 0 298.339 1.434 20 5 CDBDRO CO[C@]1(C)C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000174882554 379605783 /nfs/dbraw/zinc/60/57/83/379605783.db2.gz LOTYAADTCWECRP-TZMCWYRMSA-N 1 0 296.371 1.927 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000449596565 250925775 /nfs/dbraw/zinc/92/57/75/250925775.db2.gz XSIDUOXCSJAPSB-JGVFFNPUSA-N 1 0 267.285 1.069 20 5 CDBDRO C[C@H](O)CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450570522 251344184 /nfs/dbraw/zinc/34/41/84/251344184.db2.gz PFQWZQOHYJRNQK-QWRGUYRKSA-N 1 0 280.328 1.247 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000280260923 194770153 /nfs/dbraw/zinc/77/01/53/194770153.db2.gz JVMWPFYDULOCIB-QWHCGFSZSA-N 1 0 280.324 1.329 20 5 CDBDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000411949037 533006009 /nfs/dbraw/zinc/00/60/09/533006009.db2.gz NSCGPLPDXNCNGT-RNCFNFMXSA-N 1 0 282.344 1.622 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@H]4C[NH2+]C[C@@H]4C3)c21 ZINC000420269788 285159505 /nfs/dbraw/zinc/15/95/05/285159505.db2.gz YLWJUFXEOUQNIA-WDEREUQCSA-N 1 0 299.334 1.584 20 5 CDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000288244385 197035506 /nfs/dbraw/zinc/03/55/06/197035506.db2.gz FUXRWRLMZZMEHS-GHMZBOCLSA-N 1 0 292.339 1.622 20 5 CDBDRO CCc1ccc(C(=O)N[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000286953205 196743068 /nfs/dbraw/zinc/74/30/68/196743068.db2.gz KQQGZUYCNCEGHX-JTQLQIEISA-N 1 0 279.340 1.837 20 5 CDBDRO CO[C@H]1C[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000451513787 390628777 /nfs/dbraw/zinc/62/87/77/390628777.db2.gz YWDYGKZJEPQCPX-ZJUUUORDSA-N 1 0 268.317 1.194 20 5 CDBDRO C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@@H+](C2CC2)C1 ZINC000451079744 390593124 /nfs/dbraw/zinc/59/31/24/390593124.db2.gz AGYDERHIGMACKH-LBPRGKRZSA-N 1 0 293.371 1.207 20 5 CDBDRO COCC[NH2+]CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423322617 390826511 /nfs/dbraw/zinc/82/65/11/390826511.db2.gz NYICFOSHYKATRI-NSHDSACASA-N 1 0 267.329 1.481 20 5 CDBDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000362374993 390833083 /nfs/dbraw/zinc/83/30/83/390833083.db2.gz ZXHCSXXRUOMPIV-JOYOIKCWSA-N 1 0 263.297 1.731 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000290108569 390946081 /nfs/dbraw/zinc/94/60/81/390946081.db2.gz KIDJTADXMBTMKI-SNVBAGLBSA-N 1 0 295.343 1.840 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000070075961 390932205 /nfs/dbraw/zinc/93/22/05/390932205.db2.gz VIOMOSBNTDXFKB-GHMZBOCLSA-N 1 0 277.324 1.726 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000186775683 391015141 /nfs/dbraw/zinc/01/51/41/391015141.db2.gz LVEKIEGCIDBRBW-RPHDQRHUSA-N 1 0 289.335 1.722 20 5 CDBDRO COc1ccc(OCCN(C)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000516066117 390964419 /nfs/dbraw/zinc/96/44/19/390964419.db2.gz SBGKGEMUAXHXSB-LLVKDONJSA-N 1 0 295.339 1.276 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000148862037 390982243 /nfs/dbraw/zinc/98/22/43/390982243.db2.gz GTUHXWRIABHKAL-SSDOTTSWSA-N 1 0 257.315 1.242 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000186864131 391127542 /nfs/dbraw/zinc/12/75/42/391127542.db2.gz LTYSHJJWSJXMOG-JGVFFNPUSA-N 1 0 269.326 1.384 20 5 CDBDRO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294055427 391323321 /nfs/dbraw/zinc/32/33/21/391323321.db2.gz GVNQOGGCVOBARY-SECBINFHSA-N 1 0 292.339 1.354 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415380519 391377039 /nfs/dbraw/zinc/37/70/39/391377039.db2.gz GWDPABTXLBRTTN-VIFPVBQESA-N 1 0 281.316 1.051 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415634598 391470134 /nfs/dbraw/zinc/47/01/34/391470134.db2.gz SZTQOWKERDQOGX-VIFPVBQESA-N 1 0 282.275 1.689 20 5 CDBDRO Cc1c(CC(=O)N2CC[C@H]([NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000567245608 391476830 /nfs/dbraw/zinc/47/68/30/391476830.db2.gz RWVWLFUQRIEKHA-MFKMUULPSA-N 1 0 291.351 1.784 20 5 CDBDRO Cc1nc[nH]c1CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000345622604 391643011 /nfs/dbraw/zinc/64/30/11/391643011.db2.gz ADVQMQWHDFBDMX-UHFFFAOYSA-N 1 0 260.253 1.808 20 5 CDBDRO Cc1c(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cccc1[N+](=O)[O-] ZINC000189304927 129951259 /nfs/dbraw/zinc/95/12/59/129951259.db2.gz GSIWWMITWKMJQN-CMPLNLGQSA-N 1 0 277.324 1.774 20 5 CDBDRO CC[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304386798 130101895 /nfs/dbraw/zinc/10/18/95/130101895.db2.gz LLTBWCGTLSXBCJ-WCQYABFASA-N 1 0 282.344 1.417 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000342219765 130392508 /nfs/dbraw/zinc/39/25/08/130392508.db2.gz JYOPMQAXPWBVMH-GFCCVEGCSA-N 1 0 298.364 1.509 20 5 CDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354747192 391921472 /nfs/dbraw/zinc/92/14/72/391921472.db2.gz XNDBHRYALAUUNB-JTQLQIEISA-N 1 0 292.339 1.343 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000320788711 392002700 /nfs/dbraw/zinc/00/27/00/392002700.db2.gz FQSJBOOXRNJFJO-DTWKUNHWSA-N 1 0 266.301 1.842 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000193606258 130636846 /nfs/dbraw/zinc/63/68/46/130636846.db2.gz MPFGDLVHGXEKHZ-JOYOIKCWSA-N 1 0 293.323 1.474 20 5 CDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C(C)(C)[NH3+] ZINC000237255389 131018399 /nfs/dbraw/zinc/01/83/99/131018399.db2.gz PBOWQUMFUJLNKH-UHFFFAOYSA-N 1 0 285.731 1.944 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261610028 131156602 /nfs/dbraw/zinc/15/66/02/131156602.db2.gz DTXULGAWJUGQPZ-UHTWSYAYSA-N 1 0 289.335 1.713 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000261719092 131164456 /nfs/dbraw/zinc/16/44/56/131164456.db2.gz KPJKHVCDCJYXKN-JTQLQIEISA-N 1 0 279.340 1.597 20 5 CDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261795613 131169252 /nfs/dbraw/zinc/16/92/52/131169252.db2.gz YGZBAQXHEVLJJH-CABZTGNLSA-N 1 0 293.298 1.558 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000262749836 131258656 /nfs/dbraw/zinc/25/86/56/131258656.db2.gz GKHFSSJAIAOTGH-MNOVXSKESA-N 1 0 293.323 1.182 20 5 CDBDRO CC[C@H](NC(=O)C[C@H](C[NH3+])OC)c1cccc([N+](=O)[O-])c1 ZINC000262769442 131260390 /nfs/dbraw/zinc/26/03/90/131260390.db2.gz IFSNFVNTWAIESH-OLZOCXBDSA-N 1 0 295.339 1.526 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000262839346 131266479 /nfs/dbraw/zinc/26/64/79/131266479.db2.gz ITCJHZOGJIMQBB-NXEZZACHSA-N 1 0 293.323 1.474 20 5 CDBDRO O=c1c([N+](=O)[O-])cccn1CC[NH+]1CCCCC1 ZINC000263669382 131305743 /nfs/dbraw/zinc/30/57/43/131305743.db2.gz LVRYQVUVOFGSMA-UHFFFAOYSA-N 1 0 251.286 1.242 20 5 CDBDRO CN1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1=O ZINC000263697067 131311125 /nfs/dbraw/zinc/31/11/25/131311125.db2.gz DYSHXEOQEOEQNM-FUEXJSSKSA-N 1 0 275.308 1.428 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H]1CCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000459395424 392431312 /nfs/dbraw/zinc/43/13/12/392431312.db2.gz PJIBOZVGJPRRDM-PWSUYJOCSA-N 1 0 277.324 1.772 20 5 CDBDRO CCC[NH+]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420577712 392919482 /nfs/dbraw/zinc/91/94/82/392919482.db2.gz BEWUKWNSVXBWMJ-UHFFFAOYSA-N 1 0 292.339 1.226 20 5 CDBDRO CCC[NH2+]CCN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423305685 392960028 /nfs/dbraw/zinc/96/00/28/392960028.db2.gz CENCZBIFWHTYQM-CHWSQXEVSA-N 1 0 295.387 1.864 20 5 CDBDRO CCOc1ccc([C@@H](C)NCC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000423307400 392961043 /nfs/dbraw/zinc/96/10/43/392961043.db2.gz VXMHUKHGUGGLGE-SNVBAGLBSA-N 1 0 279.340 1.864 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000194901173 393004747 /nfs/dbraw/zinc/00/47/47/393004747.db2.gz PFIBLSYXIRJGKO-MRVPVSSYSA-N 1 0 269.326 1.150 20 5 CDBDRO COc1ccc(OCCN2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000430608119 393102873 /nfs/dbraw/zinc/10/28/73/393102873.db2.gz CFOYKZDTBZHIFG-UHFFFAOYSA-N 1 0 295.339 1.405 20 5 CDBDRO [NH3+][C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430629235 393103045 /nfs/dbraw/zinc/10/30/45/393103045.db2.gz PPKASNQRUWFVKZ-JTQLQIEISA-N 1 0 251.286 1.007 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](C[NH3+])C1 ZINC000430924459 393105525 /nfs/dbraw/zinc/10/55/25/393105525.db2.gz IGEYVPIYBXSXFY-NSHDSACASA-N 1 0 292.339 1.122 20 5 CDBDRO Cc1ccnc(N2CCC([C@@H](C)[NH3+])CC2)c1[N+](=O)[O-] ZINC000070496682 393106448 /nfs/dbraw/zinc/10/64/48/393106448.db2.gz CYZYWNPBFOIMHZ-SNVBAGLBSA-N 1 0 264.329 1.862 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](C[NH3+])C1 ZINC000430947088 393106915 /nfs/dbraw/zinc/10/69/15/393106915.db2.gz CYIRHDUXGUJJPV-LLVKDONJSA-N 1 0 292.339 1.122 20 5 CDBDRO COCC[C@H](CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000282083863 393171708 /nfs/dbraw/zinc/17/17/08/393171708.db2.gz CBCAHJXZIFUXTB-LLVKDONJSA-N 1 0 284.312 1.090 20 5 CDBDRO COC(=O)COC[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000449276115 393132047 /nfs/dbraw/zinc/13/20/47/393132047.db2.gz ATGKTLSJAVJGQX-SNVBAGLBSA-N 1 0 296.323 1.571 20 5 CDBDRO CCc1ccc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000449600157 393135521 /nfs/dbraw/zinc/13/55/21/393135521.db2.gz IWLBEPDSJJCGQA-BDAKNGLRSA-N 1 0 265.313 1.623 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000449589018 393135978 /nfs/dbraw/zinc/13/59/78/393135978.db2.gz JMWRJWJOXJTBHS-BBBLOLIVSA-N 1 0 297.380 1.927 20 5 CDBDRO Cc1cccc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000278785626 393142696 /nfs/dbraw/zinc/14/26/96/393142696.db2.gz PURFBCCHSQLJFR-TXEJJXNPSA-N 1 0 261.325 1.901 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000124865524 139799783 /nfs/dbraw/zinc/79/97/83/139799783.db2.gz MFTZULDZZPZMLJ-UHFFFAOYSA-N 1 0 257.315 1.338 20 5 CDBDRO C[N@@H+]1CC[C@H](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000187658020 140082693 /nfs/dbraw/zinc/08/26/93/140082693.db2.gz BQUPOHXZELWNEA-VIFPVBQESA-N 1 0 289.291 1.143 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N(C)CC[N@H+](C)C1CC1 ZINC000192777508 140144505 /nfs/dbraw/zinc/14/45/05/140144505.db2.gz GXEMNZNQFKJMPQ-UHFFFAOYSA-N 1 0 281.360 1.650 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000230070233 140206469 /nfs/dbraw/zinc/20/64/69/140206469.db2.gz WAHLYFGGHQGHGM-WCFLWFBJSA-N 1 0 289.335 1.794 20 5 CDBDRO Cc1c(CNC(=O)C[NH2+]CC2CC2)cccc1[N+](=O)[O-] ZINC000231856212 140219832 /nfs/dbraw/zinc/21/98/32/140219832.db2.gz VCMYNNZEIBNECY-UHFFFAOYSA-N 1 0 277.324 1.519 20 5 CDBDRO Cc1c(CNC(=O)[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000231856199 140219844 /nfs/dbraw/zinc/21/98/44/140219844.db2.gz ZBKFMLUDBRUIQN-LLVKDONJSA-N 1 0 263.297 1.271 20 5 CDBDRO Cc1c(CNC(=O)C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000231856202 140219937 /nfs/dbraw/zinc/21/99/37/140219937.db2.gz QVRCKLUZXIQFKA-UHFFFAOYSA-N 1 0 277.324 1.519 20 5 CDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000261596583 140360346 /nfs/dbraw/zinc/36/03/46/140360346.db2.gz AIAJQXZPKVSHRJ-ZWKOPEQDSA-N 1 0 290.323 1.796 20 5 CDBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)[C@H](C[NH3+])C1CC1 ZINC000261667651 140372303 /nfs/dbraw/zinc/37/23/03/140372303.db2.gz ZVEQFZFWRSQEBR-CYBMUJFWSA-N 1 0 267.304 1.903 20 5 CDBDRO [NH3+]C1(c2noc(CCn3cc([N+](=O)[O-])cn3)n2)CCCC1 ZINC000261671083 140373685 /nfs/dbraw/zinc/37/36/85/140373685.db2.gz GFLUHBJNSQJPSH-UHFFFAOYSA-N 1 0 292.299 1.145 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000261691872 140376938 /nfs/dbraw/zinc/37/69/38/140376938.db2.gz HSSRKZMTYMTBLD-GXSJLCMTSA-N 1 0 281.360 1.920 20 5 CDBDRO COc1cc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000261820854 140394697 /nfs/dbraw/zinc/39/46/97/140394697.db2.gz TYIYQJAEOUINOX-MNOVXSKESA-N 1 0 277.324 1.649 20 5 CDBDRO Cn1cnc(CC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC000095016049 147106603 /nfs/dbraw/zinc/10/66/03/147106603.db2.gz SOHWHNICSBCQSS-UHFFFAOYSA-N 1 0 267.314 1.117 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000122341665 147394375 /nfs/dbraw/zinc/39/43/75/147394375.db2.gz AXEPCJMCJHETBP-UHFFFAOYSA-N 1 0 295.314 1.441 20 5 CDBDRO CC[C@H](C)C[N@H+](CC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000177857428 148043948 /nfs/dbraw/zinc/04/39/48/148043948.db2.gz HWPGTWQLCRXNAL-AAEUAGOBSA-N 1 0 284.360 1.520 20 5 CDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)c1 ZINC000226462155 148690119 /nfs/dbraw/zinc/69/01/19/148690119.db2.gz IYDYVQSXOBUCRT-SNVBAGLBSA-N 1 0 299.352 1.015 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+][C@H]2COC[C@H]2O)cc1[N+](=O)[O-] ZINC000323366558 149263210 /nfs/dbraw/zinc/26/32/10/149263210.db2.gz DAIBJHXKOMYXKR-XHVZSJERSA-N 1 0 266.297 1.314 20 5 CDBDRO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CCC[N@@H+]1C ZINC000343449088 152181607 /nfs/dbraw/zinc/18/16/07/152181607.db2.gz OBJMMMQSGGAETI-ZJUUUORDSA-N 1 0 280.328 1.146 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C[NH+](C)C ZINC000346158698 153076200 /nfs/dbraw/zinc/07/62/00/153076200.db2.gz KYGAEZGRJIMQJK-VIFPVBQESA-N 1 0 281.312 1.283 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000261734996 292286868 /nfs/dbraw/zinc/28/68/68/292286868.db2.gz RPWFTAQQSZVUBU-CYBMUJFWSA-N 1 0 290.367 1.387 20 5 CDBDRO C[C@@H](C(=O)NCC[NH+]1CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000348041731 153758092 /nfs/dbraw/zinc/75/80/92/153758092.db2.gz LBZIWJFCQWZWMC-SNVBAGLBSA-N 1 0 295.314 1.659 20 5 CDBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C[C@@H](C)O ZINC000352186319 155004872 /nfs/dbraw/zinc/00/48/72/155004872.db2.gz KZQVRQSNIIDSOF-SNVBAGLBSA-N 1 0 268.313 1.806 20 5 CDBDRO CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C[C@H](C)O ZINC000352222425 155035434 /nfs/dbraw/zinc/03/54/34/155035434.db2.gz QNJGGKHDQZOBQN-VIFPVBQESA-N 1 0 286.303 1.945 20 5 CDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000359220406 158168056 /nfs/dbraw/zinc/16/80/56/158168056.db2.gz QJGRNKUWBVCBCL-CQSZACIVSA-N 1 0 291.351 1.738 20 5 CDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000359809528 158385295 /nfs/dbraw/zinc/38/52/95/158385295.db2.gz OJKXYOLOGFPVFW-AWEZNQCLSA-N 1 0 296.323 1.057 20 5 CDBDRO C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000359814010 158386912 /nfs/dbraw/zinc/38/69/12/158386912.db2.gz ICHXMHRZSGAFIB-LXSSAFMLSA-N 1 0 277.324 1.674 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000372993935 160163529 /nfs/dbraw/zinc/16/35/29/160163529.db2.gz YJBJZRNGJVUZDM-LLVKDONJSA-N 1 0 281.360 1.244 20 5 CDBDRO C[C@@H]([NH2+]CC1(C)COC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284257858 196015187 /nfs/dbraw/zinc/01/51/87/196015187.db2.gz WBOZHZHJXAVHBR-SECBINFHSA-N 1 0 265.313 1.864 20 5 CDBDRO C[C@H](CO)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000284337036 196033371 /nfs/dbraw/zinc/03/33/71/196033371.db2.gz BWVZHBIIRBDIPF-SNVBAGLBSA-N 1 0 254.286 1.286 20 5 CDBDRO CO[C@@H](C)C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000285682106 196363991 /nfs/dbraw/zinc/36/39/91/196363991.db2.gz NFNPZFYCVYFXAE-NSHDSACASA-N 1 0 268.313 1.940 20 5 CDBDRO CSCC[C@H]([NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676260 174373838 /nfs/dbraw/zinc/37/38/38/174373838.db2.gz YAXNIYILJIXMEX-LBPRGKRZSA-N 1 0 297.380 1.334 20 5 CDBDRO [NH3+]CCCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000043570472 175068114 /nfs/dbraw/zinc/06/81/14/175068114.db2.gz JFAVEZUUCCNCLF-UHFFFAOYSA-N 1 0 255.249 1.203 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000044537769 175199809 /nfs/dbraw/zinc/19/98/09/175199809.db2.gz FJTIHMLWALFGKJ-SNVBAGLBSA-N 1 0 292.339 1.447 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000071142886 176040752 /nfs/dbraw/zinc/04/07/52/176040752.db2.gz AKSDJTMNGNHABN-MRVPVSSYSA-N 1 0 269.326 1.338 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000071144192 176041512 /nfs/dbraw/zinc/04/15/12/176041512.db2.gz VLSRQAFQVNQUIC-JTQLQIEISA-N 1 0 278.312 1.668 20 5 CDBDRO C[NH2+]C[C@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000071148375 176044162 /nfs/dbraw/zinc/04/41/62/176044162.db2.gz ZAPKIPBWVLJVAH-MRVPVSSYSA-N 1 0 281.341 1.350 20 5 CDBDRO CCN(C(=O)c1cc([N+](=O)[O-])ccc1C)[C@H]1CC[NH2+]C1 ZINC000071312488 176119283 /nfs/dbraw/zinc/11/92/83/176119283.db2.gz FNKLXXIHCCIAJG-LBPRGKRZSA-N 1 0 277.324 1.727 20 5 CDBDRO C[C@@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000162346627 287317387 /nfs/dbraw/zinc/31/73/87/287317387.db2.gz IDMWJHDAYXLKRI-DGCLKSJQSA-N 1 0 279.340 1.925 20 5 CDBDRO CC[C@H](O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000518796128 262347043 /nfs/dbraw/zinc/34/70/43/262347043.db2.gz SQSORFZMLREGPP-JOYOIKCWSA-N 1 0 250.298 1.943 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000189303688 270276718 /nfs/dbraw/zinc/27/67/18/270276718.db2.gz KWIUHWHAIIGPJK-XNHDODSBSA-N 1 0 289.335 1.865 20 5 CDBDRO Cc1c(C(=O)N[C@H](C)C[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000320391331 270329321 /nfs/dbraw/zinc/32/93/21/270329321.db2.gz TYDYCLYERXFUCP-RKDXNWHRSA-N 1 0 265.313 1.759 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000320979977 270329618 /nfs/dbraw/zinc/32/96/18/270329618.db2.gz XMBMGRCOIXWWBB-JYLGIWJRSA-N 1 0 277.324 1.850 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C)[NH+](C)C ZINC000091555076 273782363 /nfs/dbraw/zinc/78/23/63/273782363.db2.gz HCPSFNOWZPNIHS-MRVPVSSYSA-N 1 0 255.322 1.482 20 5 CDBDRO CN1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000278852098 273939561 /nfs/dbraw/zinc/93/95/61/273939561.db2.gz VRIUXRJRQXBHKC-BXUZGUMPSA-N 1 0 289.335 1.793 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000261745703 274309284 /nfs/dbraw/zinc/30/92/84/274309284.db2.gz MLAWVAVEFOFYGQ-KBVBSXBZSA-N 1 0 280.328 1.050 20 5 CDBDRO Cc1nc(N2CCC[C@@H]([NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000295041130 274840856 /nfs/dbraw/zinc/84/08/56/274840856.db2.gz NXVIYZMWSNELIG-LLVKDONJSA-N 1 0 279.344 1.614 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000125734577 274958080 /nfs/dbraw/zinc/95/80/80/274958080.db2.gz MNSXKBYMVXZCIJ-IACUBPJLSA-N 1 0 289.335 1.794 20 5 CDBDRO O=[N+]([O-])c1c(N2CCC[NH2+]CC2)nc2sccn21 ZINC000035412568 275032596 /nfs/dbraw/zinc/03/25/96/275032596.db2.gz GYDPKSVPJVOQMB-UHFFFAOYSA-N 1 0 267.314 1.104 20 5 CDBDRO O=[N+]([O-])c1c(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)nc2sccn21 ZINC000261876286 275032679 /nfs/dbraw/zinc/03/26/79/275032679.db2.gz ZRQPLKVNHQEXSN-BDAKNGLRSA-N 1 0 293.352 1.492 20 5 CDBDRO CC(C)([NH3+])CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000236606881 275551302 /nfs/dbraw/zinc/55/13/02/275551302.db2.gz LITOVSVCJWOENN-UHFFFAOYSA-N 1 0 283.353 1.540 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000112925939 276071036 /nfs/dbraw/zinc/07/10/36/276071036.db2.gz ITPNKPPSNRZPQO-UHFFFAOYSA-N 1 0 294.355 1.342 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])c4nonc43)C[C@H]2C1 ZINC000365119489 277199056 /nfs/dbraw/zinc/19/90/56/277199056.db2.gz ZWSAUEIRMQABAF-DTORHVGOSA-N 1 0 289.295 1.129 20 5 CDBDRO C[NH2+]CCCN(C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000124886190 277267475 /nfs/dbraw/zinc/26/74/75/277267475.db2.gz UDQZKFGWFNBABU-UHFFFAOYSA-N 1 0 267.329 1.645 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000235346788 288030277 /nfs/dbraw/zinc/03/02/77/288030277.db2.gz RWFRPGMFODZMKM-XCBNKYQSSA-N 1 0 283.715 1.667 20 5 CDBDRO CC[N@H+](C)CCNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271802461 279031157 /nfs/dbraw/zinc/03/11/57/279031157.db2.gz PLAUWKLVDMKZCA-LLVKDONJSA-N 1 0 294.355 1.907 20 5 CDBDRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000076925530 279227938 /nfs/dbraw/zinc/22/79/38/279227938.db2.gz FSUWOWAQOSYZHI-ZDUSSCGKSA-N 1 0 277.324 1.665 20 5 CDBDRO C[NH+]1CCC(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000089312548 279260375 /nfs/dbraw/zinc/26/03/75/279260375.db2.gz SJVYTXYREIDSGL-UHFFFAOYSA-N 1 0 291.351 1.595 20 5 CDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C1 ZINC000211463341 280085787 /nfs/dbraw/zinc/08/57/87/280085787.db2.gz KDPCLYDEUIFBCA-UUSYTGMJSA-N 1 0 261.281 1.086 20 5 CDBDRO CCOc1ccc(C(=O)NC[C@H](C)C[NH2+]C)cc1[N+](=O)[O-] ZINC000237081203 280156342 /nfs/dbraw/zinc/15/63/42/280156342.db2.gz YIJGCMPSBOPCOO-SNVBAGLBSA-N 1 0 295.339 1.579 20 5 CDBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000522188249 281091784 /nfs/dbraw/zinc/09/17/84/281091784.db2.gz UUGODNQGLMVFMK-JTQLQIEISA-N 1 0 282.344 1.393 20 5 CDBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H]1OC ZINC000157153076 289279661 /nfs/dbraw/zinc/27/96/61/289279661.db2.gz JFMFWNFROJRSJG-MJBXVCDLSA-N 1 0 280.324 1.877 20 5 CDBDRO CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000159804497 292769929 /nfs/dbraw/zinc/76/99/29/292769929.db2.gz CPLHIEJMXZUVJZ-GPAKFWEMSA-N 1 0 289.335 1.804 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCO2)c1 ZINC000559239898 290440127 /nfs/dbraw/zinc/44/01/27/290440127.db2.gz TWIAXDLZBDGQPS-GXTWGEPZSA-N 1 0 296.323 1.103 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000561008950 293043341 /nfs/dbraw/zinc/04/33/41/293043341.db2.gz WYIQTKSJXRVHHU-JTQLQIEISA-N 1 0 294.311 1.429 20 5 CDBDRO CCC[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000562687031 293175090 /nfs/dbraw/zinc/17/50/90/293175090.db2.gz NGYASBPZODKVLZ-ZDUSSCGKSA-N 1 0 294.355 1.273 20 5 CDBDRO O=C(C[NH2+]CC1CC1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000564923373 293457754 /nfs/dbraw/zinc/45/77/54/293457754.db2.gz OPIXBJOSUWXEFU-UHFFFAOYSA-N 1 0 293.323 1.089 20 5 CDBDRO CC[NH2+]CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000570263090 294203774 /nfs/dbraw/zinc/20/37/74/294203774.db2.gz STLDJQZLPNYNNT-UHFFFAOYSA-N 1 0 296.327 1.725 20 5 CDBDRO Cc1ncc(C[NH2+]CCc2ccccc2[N+](=O)[O-])n1C ZINC000570293499 294212082 /nfs/dbraw/zinc/21/20/82/294212082.db2.gz QCXWEWFUJQVPGT-UHFFFAOYSA-N 1 0 274.324 1.969 20 5 CDBDRO CNC(=O)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000574486585 295006872 /nfs/dbraw/zinc/00/68/72/295006872.db2.gz KDLYNGCWFKJWRI-POHAHGRESA-N 1 0 263.297 1.334 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000087383565 295243504 /nfs/dbraw/zinc/24/35/04/295243504.db2.gz SIMUNVWHWVGKEH-SNVBAGLBSA-N 1 0 283.715 1.715 20 5 CDBDRO [NH3+]C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000087383564 295263950 /nfs/dbraw/zinc/26/39/50/295263950.db2.gz SIMUNVWHWVGKEH-JTQLQIEISA-N 1 0 283.715 1.715 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](CCO)C2CCCCC2)n1 ZINC000183718574 304811655 /nfs/dbraw/zinc/81/16/55/304811655.db2.gz YUFNNNOZPUZILY-ZDUSSCGKSA-N 1 0 296.371 1.712 20 5 CDBDRO CN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000384873776 323692132 /nfs/dbraw/zinc/69/21/32/323692132.db2.gz PFVTYMRNOJAZAN-UHFFFAOYSA-N 1 0 264.285 1.548 20 5 CDBDRO C[NH2+]CCCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000582894549 325064353 /nfs/dbraw/zinc/06/43/53/325064353.db2.gz YDCQJOWINFPGAQ-UHFFFAOYSA-N 1 0 266.301 1.004 20 5 CDBDRO COc1cccc(C(=O)NC2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000583498293 325188153 /nfs/dbraw/zinc/18/81/53/325188153.db2.gz JGXXHUASRXPDKW-UHFFFAOYSA-N 1 0 279.296 1.085 20 5 CDBDRO CC(=O)N1CC([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000583641221 325214677 /nfs/dbraw/zinc/21/46/77/325214677.db2.gz IOJUEQRMGBNPQN-GQCTYLIASA-N 1 0 275.308 1.428 20 5 CDBDRO C[C@H]1C[C@H](C)C[NH+](CCn2cc([N+](=O)[O-])cc(F)c2=O)C1 ZINC000584242651 327125986 /nfs/dbraw/zinc/12/59/86/327125986.db2.gz BFUSHESPUSLLKA-QWRGUYRKSA-N 1 0 297.330 1.874 20 5 CDBDRO [NH3+]Cc1cnn(-c2nc3c(cc2[N+](=O)[O-])CCCC3)c1 ZINC001168256809 1160562407 /nfs/dbraw/zinc/56/24/07/1160562407.db2.gz GVXDZKOLTCNBIY-UHFFFAOYSA-N 1 0 273.296 1.513 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000050698098 520683473 /nfs/dbraw/zinc/68/34/73/520683473.db2.gz HJWMSJBAUUOIFC-UHFFFAOYSA-N 1 0 280.328 1.249 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000340859204 523142150 /nfs/dbraw/zinc/14/21/50/523142150.db2.gz AMVJBZJAGXMMGA-LBPRGKRZSA-N 1 0 295.387 1.896 20 5 CDBDRO CN1CC[N@H+](C)C[C@H]1CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000068806561 523889374 /nfs/dbraw/zinc/88/93/74/523889374.db2.gz JPLDWNUPXYCMJM-SNVBAGLBSA-N 1 0 298.774 1.906 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000237563358 524306437 /nfs/dbraw/zinc/30/64/37/524306437.db2.gz RKODKFBHZGMZIM-SSDOTTSWSA-N 1 0 271.704 1.573 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000235368225 525257491 /nfs/dbraw/zinc/25/74/91/525257491.db2.gz ZYAQNBIAMXGDPA-KOLCDFICSA-N 1 0 278.312 1.857 20 5 CDBDRO C[NH2+][C@H](C)Cc1noc(-c2cc([N+](=O)[O-])c[nH]2)n1 ZINC000261846044 536405146 /nfs/dbraw/zinc/40/51/46/536405146.db2.gz SJYUPNUWJFEJON-ZCFIWIBFSA-N 1 0 251.246 1.123 20 5 CDBDRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000184796259 526961593 /nfs/dbraw/zinc/96/15/93/526961593.db2.gz NMOAFCIQMBZVPA-NEPJUHHUSA-N 1 0 277.324 1.729 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000236256608 527204710 /nfs/dbraw/zinc/20/47/10/527204710.db2.gz JWVNDQGULVCZOL-CYBMUJFWSA-N 1 0 295.314 1.981 20 5 CDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]1 ZINC000053253714 527636932 /nfs/dbraw/zinc/63/69/32/527636932.db2.gz WIGSSPXQRIRTQJ-ABZNLYFFSA-N 1 0 275.308 1.476 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CCC[NH3+])c1 ZINC000423691074 535428421 /nfs/dbraw/zinc/42/84/21/535428421.db2.gz PAQNFYVOPOZXAB-SNVBAGLBSA-N 1 0 295.339 1.851 20 5 CDBDRO CC[NH2+]CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417226141 535469752 /nfs/dbraw/zinc/46/97/52/535469752.db2.gz KNEIAYDPNCZNKQ-UHFFFAOYSA-N 1 0 280.328 1.046 20 5 CDBDRO COC[C@]1(CNc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261573499 536687999 /nfs/dbraw/zinc/68/79/99/536687999.db2.gz ARTMMEHTTGFBJZ-CYBMUJFWSA-N 1 0 265.313 1.775 20 5 CDBDRO COc1ccc(C(=O)N[C@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000311711853 536768972 /nfs/dbraw/zinc/76/89/72/536768972.db2.gz NSOBWDCYDGIBJK-MRVPVSSYSA-N 1 0 267.285 1.071 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccncc2)c1 ZINC000749643232 574539147 /nfs/dbraw/zinc/53/91/47/574539147.db2.gz AJCRDNMDYISGJK-AWEZNQCLSA-N 1 0 273.292 1.813 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000735491395 575472667 /nfs/dbraw/zinc/47/26/67/575472667.db2.gz KCNPHJTWKNFUFA-GHMZBOCLSA-N 1 0 281.743 1.899 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](CCO)C2CC2)c1 ZINC000771807447 575615680 /nfs/dbraw/zinc/61/56/80/575615680.db2.gz ZMWJYYDIGBODEG-UONOGXRCSA-N 1 0 280.324 1.379 20 5 CDBDRO C[NH+]1CCC(ONC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000773552322 575824640 /nfs/dbraw/zinc/82/46/40/575824640.db2.gz MROKIYSTEUUZSB-UHFFFAOYSA-N 1 0 293.323 1.279 20 5 CDBDRO C[C@]1(CO)CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000759893730 576441434 /nfs/dbraw/zinc/44/14/34/576441434.db2.gz OJRTVPRXSYXAJI-UONOGXRCSA-N 1 0 280.324 1.475 20 5 CDBDRO C[C@H]([NH2+][C@@H](CO)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000763062116 576706179 /nfs/dbraw/zinc/70/61/79/576706179.db2.gz ACQVHPFDBCAAKN-ZANVPECISA-N 1 0 293.323 1.282 20 5 CDBDRO CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000982942012 614060345 /nfs/dbraw/zinc/06/03/45/614060345.db2.gz QPUHXHKUFGNRKW-JOCQHMNTSA-N 1 0 277.324 1.599 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000892618814 617538101 /nfs/dbraw/zinc/53/81/01/617538101.db2.gz NRFRXFKXBDJBSN-LBPRGKRZSA-N 1 0 293.371 1.783 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000934011500 617840765 /nfs/dbraw/zinc/84/07/65/617840765.db2.gz MTCAROMIPYNQNL-KBPBESRZSA-N 1 0 291.351 1.718 20 5 CDBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1c([N+](=O)[O-])cnn1C ZINC000891971952 617911388 /nfs/dbraw/zinc/91/13/88/617911388.db2.gz WMBSUZRRQZCXBI-QWRGUYRKSA-N 1 0 281.360 1.861 20 5 CDBDRO CC[C@@H](C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2OC)CC1 ZINC000894101770 618409932 /nfs/dbraw/zinc/40/99/32/618409932.db2.gz JAUSSSLKJIJQLY-LLVKDONJSA-N 1 0 294.355 1.919 20 5 CDBDRO Cc1cc(N[C@H](C)[C@H]2C[N@H+](C)CCN2C)ncc1[N+](=O)[O-] ZINC000895247446 619493965 /nfs/dbraw/zinc/49/39/65/619493965.db2.gz TXLNJQIPTCEPAP-DGCLKSJQSA-N 1 0 293.371 1.344 20 5 CDBDRO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000895317455 619544896 /nfs/dbraw/zinc/54/48/96/619544896.db2.gz OJMMTPCHDDHQCG-NSHDSACASA-N 1 0 297.742 1.862 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000899859479 622486578 /nfs/dbraw/zinc/48/65/78/622486578.db2.gz KRSGDKIREUGSRN-LLVKDONJSA-N 1 0 253.302 1.283 20 5 CDBDRO CCc1ccc([C@H](C[NH2+]CC[N+](=O)[O-])N(C)C)cc1 ZINC000899858818 622486790 /nfs/dbraw/zinc/48/67/90/622486790.db2.gz CGYWDUYAQXDWRM-AWEZNQCLSA-N 1 0 265.357 1.718 20 5 CDBDRO CC(C)([NH3+])CCNCc1ccc([N+](=O)[O-])cc1F ZINC000903938477 626156596 /nfs/dbraw/zinc/15/65/96/626156596.db2.gz DJDHKABKWUPDEN-UHFFFAOYSA-N 1 0 255.293 1.951 20 5 CDBDRO COc1ccc(C2=NO[C@@H](CNCC[N+](=O)[O-])C2)cc1 ZINC000905254293 626707170 /nfs/dbraw/zinc/70/71/70/626707170.db2.gz KKTQZTFJJQKVPO-GFCCVEGCSA-N 1 0 279.296 1.055 20 5 CDBDRO C[C@H]1C[C@H]([NH2+]CC[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000905235609 626717197 /nfs/dbraw/zinc/71/71/97/626717197.db2.gz BVWZJJOZQDDEII-WDEREUQCSA-N 1 0 287.360 1.641 20 5 CDBDRO CC[C@@H](C)[NH2+][C@@H](CNCC[N+](=O)[O-])c1ccco1 ZINC000905294827 626723750 /nfs/dbraw/zinc/72/37/50/626723750.db2.gz LIJLVARBGUMTSH-MNOVXSKESA-N 1 0 255.318 1.575 20 5 CDBDRO O=[N+]([O-])CCNc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000905321039 626748386 /nfs/dbraw/zinc/74/83/86/626748386.db2.gz JSZIVZOYRNLAPA-UHFFFAOYSA-N 1 0 279.340 1.332 20 5 CDBDRO Cc1ccc(NCC[N+](=O)[O-])cc1NC(=O)CC[NH+](C)C ZINC000905327356 626753418 /nfs/dbraw/zinc/75/34/18/626753418.db2.gz AAKFQXHXEMDRBL-UHFFFAOYSA-N 1 0 294.355 1.574 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000905363638 626783812 /nfs/dbraw/zinc/78/38/12/626783812.db2.gz ZXEWJEMLCTXLOS-SECBINFHSA-N 1 0 279.123 1.893 20 5 CDBDRO [NH3+]C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000911833363 629563401 /nfs/dbraw/zinc/56/34/01/629563401.db2.gz LGNOWNZVCWXWMZ-IHRRRGAJSA-N 1 0 289.335 1.552 20 5 CDBDRO CC(C)([NH3+])CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911844771 629584453 /nfs/dbraw/zinc/58/44/53/629584453.db2.gz BKAPDERHKBYHPQ-NWDGAFQWSA-N 1 0 277.324 1.552 20 5 CDBDRO COc1ccc(C[C@H](C)N2CC([NH3+])C2)c([N+](=O)[O-])c1 ZINC001170297707 1162327755 /nfs/dbraw/zinc/32/77/55/1162327755.db2.gz QTPDKNXUTMLJPI-VIFPVBQESA-N 1 0 265.313 1.177 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]CC2COC2)c([N+](=O)[O-])c1 ZINC001170299548 1162328773 /nfs/dbraw/zinc/32/87/73/1162328773.db2.gz UYBDVLMCADVGHS-SNVBAGLBSA-N 1 0 280.324 1.770 20 5 CDBDRO COc1ccc(C[C@H](C)N(C)OCC[NH3+])c([N+](=O)[O-])c1 ZINC001170312701 1162334927 /nfs/dbraw/zinc/33/49/27/1162334927.db2.gz GVRSOFRUYWQAFG-JTQLQIEISA-N 1 0 283.328 1.357 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2COC[C@@H]2F)c([N+](=O)[O-])c1 ZINC001170328087 1162337749 /nfs/dbraw/zinc/33/77/49/1162337749.db2.gz UUKHPZWYGKMJNV-TVYUQYBPSA-N 1 0 298.314 1.861 20 5 CDBDRO [NH3+]C[C@]1(F)CCN(c2cc([N+](=O)[O-])cc(Cl)n2)C1 ZINC001157809779 1162440491 /nfs/dbraw/zinc/44/04/91/1162440491.db2.gz SVIXMIJOMHVOSC-SNVBAGLBSA-N 1 0 274.683 1.520 20 5 CDBDRO [NH3+]C[C@]1(F)CCN(c2cnc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001157810220 1162440791 /nfs/dbraw/zinc/44/07/91/1162440791.db2.gz YLWHKXYQILVNTM-CYBMUJFWSA-N 1 0 291.286 1.415 20 5 CDBDRO CCOc1cc(N[C@@H](C)[C@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC001170570416 1162955981 /nfs/dbraw/zinc/95/59/81/1162955981.db2.gz BXDKPAABIDDYAJ-IINYFYTJSA-N 1 0 295.339 1.782 20 5 CDBDRO C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2c1)[C@@H]1C[NH2+]CCO1 ZINC001170571766 1162966179 /nfs/dbraw/zinc/96/61/79/1162966179.db2.gz ZRFQZGXLRUMPCP-KOLCDFICSA-N 1 0 291.311 1.031 20 5 CDBDRO C[NH+](C)CCCCO[C@H](C[N+](=O)[O-])c1cccnc1 ZINC001224991213 1160989276 /nfs/dbraw/zinc/98/92/76/1160989276.db2.gz ORWYYOCJYUIHJN-CYBMUJFWSA-N 1 0 267.329 1.758 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)cc1N1C[C@@H]2C[NH2+][C@@H]2C1 ZINC001157619859 1162240590 /nfs/dbraw/zinc/24/05/90/1162240590.db2.gz PMJXBLYZFQHLJT-NKWVEPMBSA-N 1 0 254.677 1.051 20 5 CDBDRO CCOc1cc(-n2ccnc2CC[NH3+])ccc1[N+](=O)[O-] ZINC000111054977 1166985666 /nfs/dbraw/zinc/98/56/66/1166985666.db2.gz XJLRPKRBRNBYGK-UHFFFAOYSA-N 1 0 276.296 1.680 20 5 CDBDRO Nc1cc(N[C@@]23CCC[C@@H]2[NH2+]CC3)ncc1[N+](=O)[O-] ZINC001155402677 1167159692 /nfs/dbraw/zinc/15/96/92/1167159692.db2.gz ACKDIAOTDJUHBI-CMPLNLGQSA-N 1 0 263.301 1.269 20 5 CDBDRO O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)[C@H]1CCC[NH2+]1 ZINC001574341954 1170952328 /nfs/dbraw/zinc/95/23/28/1170952328.db2.gz VYRAJCSJUHYVMT-GFCCVEGCSA-N 1 0 286.291 1.834 20 5 CDBDRO CCC[NH2+][C@@H](C)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001577548244 1171694432 /nfs/dbraw/zinc/69/44/32/1171694432.db2.gz KFDWKVOSVHWZEU-LBPRGKRZSA-N 1 0 293.367 1.984 20 5 CDBDRO CN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@H](C[NH3+])C1CC1 ZINC001578378005 1171891888 /nfs/dbraw/zinc/89/18/88/1171891888.db2.gz AMQMPXKNZWJXLV-GFCCVEGCSA-N 1 0 295.314 1.472 20 5 CDBDRO Cc1c(OC[C@@H]2CC3(C[NH2+]C3)C(=O)O2)cccc1[N+](=O)[O-] ZINC001579541203 1172208945 /nfs/dbraw/zinc/20/89/45/1172208945.db2.gz KRSARGDWLCSZNA-JTQLQIEISA-N 1 0 292.291 1.187 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC2([C@H]3CC[NH2+]C3)CC2)n1 ZINC001579642599 1172232961 /nfs/dbraw/zinc/23/29/61/1172232961.db2.gz MHGMQOYRBNFIIN-JTQLQIEISA-N 1 0 290.323 1.170 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001580449621 1172439326 /nfs/dbraw/zinc/43/93/26/1172439326.db2.gz QAMCMUONSIOAON-STQMWFEESA-N 1 0 290.323 1.144 20 5 CDBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001580767334 1172535527 /nfs/dbraw/zinc/53/55/27/1172535527.db2.gz YRUNPZUTKJVXSS-AOOOYVTPSA-N 1 0 294.286 1.702 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(NCC(C)(C)C[NH+](C)C)n1 ZINC000124069891 1175293751 /nfs/dbraw/zinc/29/37/51/1175293751.db2.gz YODNTZYDZPGQOB-UHFFFAOYSA-N 1 0 282.344 1.998 20 5 CDBDRO Cc1cnc(NC2(C)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000229631340 1175718766 /nfs/dbraw/zinc/71/87/66/1175718766.db2.gz OVMQGYFUJHVRCX-UHFFFAOYSA-N 1 0 250.302 1.852 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(NCCCC[NH+](C)C)n1 ZINC000134218560 1175813375 /nfs/dbraw/zinc/81/33/75/1175813375.db2.gz MEHGFNBXDYZHSY-UHFFFAOYSA-N 1 0 268.317 1.752 20 5 CDBDRO C[C@@H]1[NH2+]C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000401270062 1186409597 /nfs/dbraw/zinc/40/95/97/1186409597.db2.gz UITSEDFXDVWOCQ-DCAQKATOSA-N 1 0 277.324 1.806 20 5 CDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CO1 ZINC000402054966 1186435288 /nfs/dbraw/zinc/43/52/88/1186435288.db2.gz QXIACBHJSBBLLI-XWIASGKRSA-N 1 0 266.297 1.395 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(N)n1 ZINC001164634806 719213285 /nfs/dbraw/zinc/21/32/85/719213285.db2.gz HBDODGNNLLUGEC-DTWKUNHWSA-N 1 0 265.317 1.101 20 5 CDBDRO Cc1nc(N2CCC(C[NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000450264315 721950654 /nfs/dbraw/zinc/95/06/54/721950654.db2.gz ZDUADBIGCWQVHZ-UHFFFAOYSA-N 1 0 279.344 1.471 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](CO)CC(F)F)cc1 ZINC000717834701 777730254 /nfs/dbraw/zinc/73/02/54/777730254.db2.gz JLPFFEIHWLHWHJ-MWLCHTKSSA-N 1 0 290.266 1.234 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)cc1 ZINC000712289645 773763719 /nfs/dbraw/zinc/76/37/19/773763719.db2.gz VMJBHCXTINQJST-KWCYVHTRSA-N 1 0 262.309 1.798 20 5 CDBDRO [NH3+]C[C@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886828105 773795953 /nfs/dbraw/zinc/79/59/53/773795953.db2.gz XLWGTZCLAOMHAM-SNVBAGLBSA-N 1 0 250.302 1.161 20 5 CDBDRO CNC(=O)CCC[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591325 773894750 /nfs/dbraw/zinc/89/47/50/773894750.db2.gz MZWPLQRZRSTLLN-CYBMUJFWSA-N 1 0 295.339 1.086 20 5 CDBDRO Cc1cc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)ncn1 ZINC000819188932 773924644 /nfs/dbraw/zinc/92/46/44/773924644.db2.gz OQYGUAFFVWTDCI-CQSZACIVSA-N 1 0 288.307 1.516 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000834641697 773952328 /nfs/dbraw/zinc/95/23/28/773952328.db2.gz MKNXAWMECRJHOA-MWLCHTKSSA-N 1 0 292.339 1.376 20 5 CDBDRO Cc1c([N+](=O)[O-])ccc(=O)n1CCCCCCC[NH3+] ZINC000830404630 774061759 /nfs/dbraw/zinc/06/17/59/774061759.db2.gz KNUDRIBEMGUBLR-UHFFFAOYSA-N 1 0 267.329 1.974 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCC=CO2)c1 ZINC000819246639 774312707 /nfs/dbraw/zinc/31/27/07/774312707.db2.gz OFPOZJJJFMOTOL-KGLIPLIRSA-N 1 0 278.308 1.911 20 5 CDBDRO C[NH+](C)CCCOC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000791827378 774337070 /nfs/dbraw/zinc/33/70/70/774337070.db2.gz YLCAIQGTHNNMNO-UHFFFAOYSA-N 1 0 284.316 1.021 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1COCCO1 ZINC000866237828 774410984 /nfs/dbraw/zinc/41/09/84/774410984.db2.gz HWMKKOPGEQTFHX-GXFFZTMASA-N 1 0 298.314 1.670 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCO[C@H]2CCOC2)cc1 ZINC000725000304 774482907 /nfs/dbraw/zinc/48/29/07/774482907.db2.gz WSXRYTLKHKEDFZ-ZDUSSCGKSA-N 1 0 266.297 1.490 20 5 CDBDRO O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840675402 774532975 /nfs/dbraw/zinc/53/29/75/774532975.db2.gz XNIGTUAZBCZUCM-MGPQQGTHSA-N 1 0 290.319 1.469 20 5 CDBDRO O=C(N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139519 774545074 /nfs/dbraw/zinc/54/50/74/774545074.db2.gz CLQUFNDHURRTRW-FDYHWXHSSA-N 1 0 281.356 1.079 20 5 CDBDRO CC1(C)CN(c2c(F)cccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000720832559 774601526 /nfs/dbraw/zinc/60/15/26/774601526.db2.gz BIDXNFHCWKTSJD-JTQLQIEISA-N 1 0 253.277 1.907 20 5 CDBDRO CC(C)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867941866 774732534 /nfs/dbraw/zinc/73/25/34/774732534.db2.gz KQAKPFNAEKPXNK-GFCCVEGCSA-N 1 0 251.286 1.293 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=[NH2+])N1CCC1 ZINC000848995960 774805604 /nfs/dbraw/zinc/80/56/04/774805604.db2.gz SAVKTYJSWQIFRG-UHFFFAOYSA-N 1 0 264.285 1.333 20 5 CDBDRO C[C@H]1CC2(C[N@@H+]1Cn1nccc1[N+](=O)[O-])CCOCC2 ZINC000842638084 774818213 /nfs/dbraw/zinc/81/82/13/774818213.db2.gz HUUJEQIVSMNHBG-NSHDSACASA-N 1 0 280.328 1.640 20 5 CDBDRO C[NH+]1CCC2(CCCN2C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000827674448 774872469 /nfs/dbraw/zinc/87/24/69/774872469.db2.gz HQNCUTIPPOMGCP-UHFFFAOYSA-N 1 0 297.399 1.909 20 5 CDBDRO CCC[N@H+](CC)CCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819125320 774873658 /nfs/dbraw/zinc/87/36/58/774873658.db2.gz DIXJCRUEMKGNCL-OAHLLOKOSA-N 1 0 295.383 1.950 20 5 CDBDRO C[C@H](CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000867927628 774892793 /nfs/dbraw/zinc/89/27/93/774892793.db2.gz KLIQMTFAUIXWJA-BMIGLBTASA-N 1 0 291.351 1.931 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)c1cc(F)c([N+](=O)[O-])cc1CO ZINC000865883850 774897610 /nfs/dbraw/zinc/89/76/10/774897610.db2.gz NORCEUCMOPFSNO-LLVKDONJSA-N 1 0 297.330 1.757 20 5 CDBDRO [NH3+]CCCc1cn(Cc2cc(F)ccc2[N+](=O)[O-])nn1 ZINC000229828343 775246580 /nfs/dbraw/zinc/24/65/80/775246580.db2.gz JJOGTUVEEIJMFI-UHFFFAOYSA-N 1 0 279.275 1.265 20 5 CDBDRO CCOC(=O)[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000932638031 775280068 /nfs/dbraw/zinc/28/00/68/775280068.db2.gz DPVNDRGFFMWBKF-LBPRGKRZSA-N 1 0 278.308 1.980 20 5 CDBDRO CC[C@H](C)[N@H+](CCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000805792458 775358420 /nfs/dbraw/zinc/35/84/20/775358420.db2.gz UZAHNCMOBOLLSP-FZMZJTMJSA-N 1 0 282.340 1.721 20 5 CDBDRO C[C@H]([NH3+])Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000843218892 775477332 /nfs/dbraw/zinc/47/73/32/775477332.db2.gz JFVMZHCHMWPFTO-YFKPBYRVSA-N 1 0 254.271 1.596 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000070447259 775561102 /nfs/dbraw/zinc/56/11/02/775561102.db2.gz WXWDCZIAOBRXJH-NSHDSACASA-N 1 0 285.731 1.961 20 5 CDBDRO C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000887398843 775600780 /nfs/dbraw/zinc/60/07/80/775600780.db2.gz ILRZKRNKTYLOJA-FZMZJTMJSA-N 1 0 291.351 1.909 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H](CO)C1CCCC1 ZINC000886211641 775724785 /nfs/dbraw/zinc/72/47/85/775724785.db2.gz UMLJYABACQDHIX-GFCCVEGCSA-N 1 0 265.313 1.631 20 5 CDBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840283327 775746694 /nfs/dbraw/zinc/74/66/94/775746694.db2.gz CXUWVQBSYVTSQX-ZIAGYGMSSA-N 1 0 297.399 1.622 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](c2ccncc2)C2CC2)c1 ZINC000934693722 775765845 /nfs/dbraw/zinc/76/58/45/775765845.db2.gz VORXZWNZOTWLMO-AWEZNQCLSA-N 1 0 287.323 1.927 20 5 CDBDRO CC(C)[C@H](c1nc(-c2c([N+](=O)[O-])ncn2C)no1)[C@@H](C)[NH3+] ZINC000823089026 775882085 /nfs/dbraw/zinc/88/20/85/775882085.db2.gz QJJFSARAJCDMKP-SFYZADRCSA-N 1 0 294.315 1.465 20 5 CDBDRO COc1ccc(CNC(=[NH2+])NC2CCC2)cc1[N+](=O)[O-] ZINC000848996424 775936454 /nfs/dbraw/zinc/93/64/54/775936454.db2.gz SJMZIQHOJPQRBB-UHFFFAOYSA-N 1 0 278.312 1.770 20 5 CDBDRO C[C@@H](CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-])[NH+](C)C ZINC000869244751 776031363 /nfs/dbraw/zinc/03/13/63/776031363.db2.gz WOOOALRVZBPVMX-JTQLQIEISA-N 1 0 297.330 1.733 20 5 CDBDRO C[C@@H](CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000855417160 776284752 /nfs/dbraw/zinc/28/47/52/776284752.db2.gz CZDUTACZSFYKSZ-GWCFXTLKSA-N 1 0 295.339 1.085 20 5 CDBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1(C)COC1 ZINC000859570639 776300128 /nfs/dbraw/zinc/30/01/28/776300128.db2.gz GLDRYKLGCGSUOQ-ZDUSSCGKSA-N 1 0 280.324 1.597 20 5 CDBDRO CC[C@@H](CO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000844257036 776362443 /nfs/dbraw/zinc/36/24/43/776362443.db2.gz PPVGRYNNQCWLPI-JTQLQIEISA-N 1 0 281.312 1.284 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000070303598 776564755 /nfs/dbraw/zinc/56/47/55/776564755.db2.gz AWDBNNPPHLHEHT-UHFFFAOYSA-N 1 0 271.704 1.540 20 5 CDBDRO C[NH+](C)CC[C@H](N)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000844919211 776612371 /nfs/dbraw/zinc/61/23/71/776612371.db2.gz IBZRERMQVMSBMO-VIFPVBQESA-N 1 0 285.348 1.009 20 5 CDBDRO [NH3+]CCN(Cc1cccnc1[N+](=O)[O-])CC(F)(F)F ZINC000886841029 776626062 /nfs/dbraw/zinc/62/60/62/776626062.db2.gz AESWSMLELFLFRB-UHFFFAOYSA-N 1 0 278.234 1.313 20 5 CDBDRO COCCNC(=[NH2+])NCc1cccc([N+](=O)[O-])c1C ZINC000849021709 776715909 /nfs/dbraw/zinc/71/59/09/776715909.db2.gz BEQGKNSFVOMNEL-UHFFFAOYSA-N 1 0 266.301 1.164 20 5 CDBDRO CCOC[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886030555 776816921 /nfs/dbraw/zinc/81/69/21/776816921.db2.gz NJVVTNQOKPLGBD-LLVKDONJSA-N 1 0 265.313 1.848 20 5 CDBDRO CCN1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1=O ZINC000824886924 776837253 /nfs/dbraw/zinc/83/72/53/776837253.db2.gz OCLDDIIVEQUPLI-SNVBAGLBSA-N 1 0 297.742 1.959 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCN1C ZINC000922573455 776870941 /nfs/dbraw/zinc/87/09/41/776870941.db2.gz AQUBOKVQBDGRTD-ZDUSSCGKSA-N 1 0 279.340 1.787 20 5 CDBDRO COc1ccc(CN2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000131601254 776945707 /nfs/dbraw/zinc/94/57/07/776945707.db2.gz SVACIUJHKBHBGW-JQWIXIFHSA-N 1 0 279.340 1.773 20 5 CDBDRO C[C@@]1(O)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592618 776976902 /nfs/dbraw/zinc/97/69/02/776976902.db2.gz QZUUMXFZINNBJB-CHWSQXEVSA-N 1 0 266.297 1.085 20 5 CDBDRO COC[C@@H](CO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866351080 777012939 /nfs/dbraw/zinc/01/29/39/777012939.db2.gz LISSWBLCLGVSPE-BXKDBHETSA-N 1 0 286.303 1.262 20 5 CDBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000825279571 777040906 /nfs/dbraw/zinc/04/09/06/777040906.db2.gz RYVFNEILUDHSID-KCJUWKMLSA-N 1 0 297.742 1.992 20 5 CDBDRO C[C@@H](CCO)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000132909301 777162279 /nfs/dbraw/zinc/16/22/79/777162279.db2.gz QPFKQUNMFWFZLJ-JTQLQIEISA-N 1 0 254.286 1.334 20 5 CDBDRO Cc1nn(C[N@H+](C)CC2CCOCC2)c(C)c1[N+](=O)[O-] ZINC000124716771 777177995 /nfs/dbraw/zinc/17/79/95/777177995.db2.gz ZSRUZHFVQIWRQX-UHFFFAOYSA-N 1 0 282.344 1.724 20 5 CDBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nccn1C ZINC000775387333 777232787 /nfs/dbraw/zinc/23/27/87/777232787.db2.gz XCJIUGDKYQKTTI-GWCFXTLKSA-N 1 0 290.323 1.713 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CNC(=O)C1 ZINC000866373703 777272364 /nfs/dbraw/zinc/27/23/64/777272364.db2.gz QGFVJKZMKHQZEX-UWVGGRQHSA-N 1 0 295.314 1.391 20 5 CDBDRO CC1(C)CNC(=O)[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000925383063 777368270 /nfs/dbraw/zinc/36/82/70/777368270.db2.gz QPKKGNKWGDQCMX-GFCCVEGCSA-N 1 0 293.323 1.088 20 5 CDBDRO CN(CCOCC[NH3+])C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000877058317 777396361 /nfs/dbraw/zinc/39/63/61/777396361.db2.gz ADNOVVSEXPDSQK-QPJJXVBHSA-N 1 0 293.323 1.042 20 5 CDBDRO COC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815579840 777485667 /nfs/dbraw/zinc/48/56/67/777485667.db2.gz WLHJBWFVKJZAMG-RNCFNFMXSA-N 1 0 283.328 1.225 20 5 CDBDRO C[C@]1(O)CCC[N@H+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886181343 777512239 /nfs/dbraw/zinc/51/22/39/777512239.db2.gz KAGINEQIJLRMTH-ZDUSSCGKSA-N 1 0 265.313 1.727 20 5 CDBDRO COc1ccc([C@@H]2CC[N@H+](CC[N+](=O)[O-])C2)cc1 ZINC000929431188 777534186 /nfs/dbraw/zinc/53/41/86/777534186.db2.gz UTFTWZZZEXHHQN-GFCCVEGCSA-N 1 0 250.298 1.761 20 5 CDBDRO CO[C@H](C)[C@@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819324206 777843740 /nfs/dbraw/zinc/84/37/40/777843740.db2.gz VXYKMGJEUAXMJA-BREBYQMCSA-N 1 0 268.313 1.641 20 5 CDBDRO C[C@@H]1[C@H](C)N(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000776597111 777847595 /nfs/dbraw/zinc/84/75/95/777847595.db2.gz HJIPJSSFBRMFFB-TYNCELHUSA-N 1 0 293.367 1.653 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CNCC1OCCCO1 ZINC000922279730 777940622 /nfs/dbraw/zinc/94/06/22/777940622.db2.gz XWHUYQAJJIABEB-UHFFFAOYSA-N 1 0 296.323 1.846 20 5 CDBDRO Cn1ncc(CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)n1 ZINC000815144554 778083363 /nfs/dbraw/zinc/08/33/63/778083363.db2.gz JTJUKONFGSUFPI-UHFFFAOYSA-N 1 0 293.302 1.585 20 5 CDBDRO COC[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000126723832 778100217 /nfs/dbraw/zinc/10/02/17/778100217.db2.gz OUPKSZADVHGXEC-KGLIPLIRSA-N 1 0 282.340 1.889 20 5 CDBDRO C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000856796742 778105244 /nfs/dbraw/zinc/10/52/44/778105244.db2.gz ZDIASTVDWADNEZ-OSAQELSMSA-N 1 0 294.351 1.579 20 5 CDBDRO CC1CC[NH+](C[C@@H]2CCCN(CC[N+](=O)[O-])C2)CC1 ZINC000929423069 778184317 /nfs/dbraw/zinc/18/43/17/778184317.db2.gz ZKOPUSXCCJULIL-CQSZACIVSA-N 1 0 269.389 1.707 20 5 CDBDRO CN(CC1C[NH+](C)C1)c1ccnc(F)c1[N+](=O)[O-] ZINC000882616104 778319904 /nfs/dbraw/zinc/31/99/04/778319904.db2.gz DGHNTPHSTHNISR-UHFFFAOYSA-N 1 0 254.265 1.127 20 5 CDBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000836950152 778326833 /nfs/dbraw/zinc/32/68/33/778326833.db2.gz VVGQXHLRXQJTFJ-LBPRGKRZSA-N 1 0 285.388 1.765 20 5 CDBDRO C[C@H](CC(N)=O)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866287231 778344230 /nfs/dbraw/zinc/34/42/30/778344230.db2.gz KSURRNSWLOPDCM-RKDXNWHRSA-N 1 0 283.303 1.518 20 5 CDBDRO CC[C@@H](CO)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000931765118 778372217 /nfs/dbraw/zinc/37/22/17/778372217.db2.gz CJJCBAMVZUQVRT-JTQLQIEISA-N 1 0 254.286 1.334 20 5 CDBDRO C[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[N@@H+]1C ZINC000886091486 778551604 /nfs/dbraw/zinc/55/16/04/778551604.db2.gz BBMAVLYHLBTEML-JTQLQIEISA-N 1 0 250.302 1.126 20 5 CDBDRO O=[N+]([O-])c1ccc(CCN2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000420413606 778820836 /nfs/dbraw/zinc/82/08/36/778820836.db2.gz ZOJBJEILFKUIPH-HNNXBMFYSA-N 1 0 275.352 1.965 20 5 CDBDRO C[C@H](O)C[C@H](C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843084317 778839154 /nfs/dbraw/zinc/83/91/54/778839154.db2.gz PJQNWTMUWIXUKJ-MJVIPROJSA-N 1 0 282.340 1.625 20 5 CDBDRO CC[C@H](O)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843068316 778899189 /nfs/dbraw/zinc/89/91/89/778899189.db2.gz MGZNDDFMPNWXIC-QWHCGFSZSA-N 1 0 268.313 1.379 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000805422389 778944188 /nfs/dbraw/zinc/94/41/88/778944188.db2.gz BRUBFZODUXVZFT-VIFPVBQESA-N 1 0 283.303 1.722 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000843509525 778977267 /nfs/dbraw/zinc/97/72/67/778977267.db2.gz ZEFMYYCPEVLNJQ-RKDXNWHRSA-N 1 0 283.303 1.898 20 5 CDBDRO Cc1cccc(C(=O)N(C)C[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000311052882 778984847 /nfs/dbraw/zinc/98/48/47/778984847.db2.gz VGABDPRHCPHUGE-VIFPVBQESA-N 1 0 251.286 1.322 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000886571586 779003845 /nfs/dbraw/zinc/00/38/45/779003845.db2.gz AVLCCIPWIBUAED-ADEWGFFLSA-N 1 0 263.297 1.193 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193654775 779022796 /nfs/dbraw/zinc/02/27/96/779022796.db2.gz YGYTYBVYMDKVFT-SKDRFNHKSA-N 1 0 293.323 1.474 20 5 CDBDRO CN(CCOCC[NH3+])Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843357423 779032877 /nfs/dbraw/zinc/03/28/77/779032877.db2.gz IQDYECIDJPIZJK-UHFFFAOYSA-N 1 0 287.747 1.655 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)NC2=O)cc1[N+](=O)[O-] ZINC000089751396 779099421 /nfs/dbraw/zinc/09/94/21/779099421.db2.gz NEHHQYOHPSUMKZ-MWLCHTKSSA-N 1 0 291.307 1.359 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879964620 779245874 /nfs/dbraw/zinc/24/58/74/779245874.db2.gz LAFISGDODGXPDL-LBPRGKRZSA-N 1 0 296.371 1.583 20 5 CDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cn2cc([N+](=O)[O-])cn2)C1 ZINC000129193090 779357552 /nfs/dbraw/zinc/35/75/52/779357552.db2.gz BLAVCNOPPHACSK-DGCLKSJQSA-N 1 0 279.344 1.165 20 5 CDBDRO C[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818957695 779408386 /nfs/dbraw/zinc/40/83/86/779408386.db2.gz ZGRCFVCGJKHDNY-SUZMYJTESA-N 1 0 250.298 1.874 20 5 CDBDRO Cn1ccnc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819015750 779456518 /nfs/dbraw/zinc/45/65/18/779456518.db2.gz OMKMBKQKXOCTFZ-LBPRGKRZSA-N 1 0 276.296 1.152 20 5 CDBDRO O=[N+]([O-])CC[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000791055800 779780509 /nfs/dbraw/zinc/78/05/09/779780509.db2.gz YLRPOLIUWNFBTM-AWEZNQCLSA-N 1 0 264.325 1.536 20 5 CDBDRO C[C@H]([NH3+])CN(C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000861615723 779835593 /nfs/dbraw/zinc/83/55/93/779835593.db2.gz VFJALRRLHXEEHI-JTQLQIEISA-N 1 0 280.328 1.126 20 5 CDBDRO Cc1nn(CN(C)C[C@H]2CCCOC2)c(C)c1[N+](=O)[O-] ZINC000107672241 779887486 /nfs/dbraw/zinc/88/74/86/779887486.db2.gz ZEDZXFMTVMDTPR-GFCCVEGCSA-N 1 0 282.344 1.724 20 5 CDBDRO CC(C)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)OCCO ZINC000843080382 779985596 /nfs/dbraw/zinc/98/55/96/779985596.db2.gz IELSANRNUHKYKS-ZDUSSCGKSA-N 1 0 298.339 1.005 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000886081077 780053488 /nfs/dbraw/zinc/05/34/88/780053488.db2.gz IPJOHDQHWONLGC-AAEUAGOBSA-N 1 0 277.324 1.848 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2COCC[NH2+]2)c1 ZINC000863483646 780107011 /nfs/dbraw/zinc/10/70/11/780107011.db2.gz PBAAYMOJZNAFTR-JTQLQIEISA-N 1 0 285.731 1.326 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC001173217037 912302034 /nfs/dbraw/zinc/30/20/34/912302034.db2.gz KNDFBFLVMTWKDU-YPMHNXCESA-N 1 0 291.351 1.594 20 5 CDBDRO CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173220169 912304573 /nfs/dbraw/zinc/30/45/73/912304573.db2.gz VEXPMFORKVHLLA-BPNCWPANSA-N 1 0 291.351 1.783 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](O)[C@@H](F)C1 ZINC001173221037 912306212 /nfs/dbraw/zinc/30/62/12/912306212.db2.gz FLIPZLTVFRYQRU-LEWSCRJBSA-N 1 0 282.315 1.931 20 5 CDBDRO COc1cc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C)C2)cc1F ZINC001167278806 895031906 /nfs/dbraw/zinc/03/19/06/895031906.db2.gz STFSLCFZEFIGCZ-QMMMGPOBSA-N 1 0 269.276 1.859 20 5 CDBDRO C/C=C(/C)C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001125438622 895492115 /nfs/dbraw/zinc/49/21/15/895492115.db2.gz WIDKSTXQBKVWSZ-JYOAFUTRSA-N 1 0 277.324 1.767 20 5 CDBDRO CC[C@@H]1COC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000699831827 914333331 /nfs/dbraw/zinc/33/33/31/914333331.db2.gz ABBBKKYPZBGGPJ-BXUZGUMPSA-N 1 0 280.324 1.988 20 5 CDBDRO C[NH+](C)CCCO[C@@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001206297405 914550973 /nfs/dbraw/zinc/55/09/73/914550973.db2.gz WDASLVGLGJVOAM-AWEZNQCLSA-N 1 0 296.323 1.701 20 5 CDBDRO CCOc1cnc(NC(=N)SCC[NH3+])c([N+](=O)[O-])c1 ZINC001167909170 902099157 /nfs/dbraw/zinc/09/91/57/902099157.db2.gz FNKNKXACEZXQTD-UHFFFAOYSA-N 1 0 285.329 1.427 20 5 CDBDRO CC[N@@H+]1CCC[C@H](Oc2cccnc2[N+](=O)[O-])C1 ZINC001225629099 903402884 /nfs/dbraw/zinc/40/28/84/903402884.db2.gz DQVNOEUAOPMHOZ-JTQLQIEISA-N 1 0 251.286 1.853 20 5 CDBDRO CC1(Nc2cccc3ncc([N+](=O)[O-])n32)CC[NH2+]CC1 ZINC001168189303 907788677 /nfs/dbraw/zinc/78/86/77/907788677.db2.gz OPTYNSLORCYVBG-UHFFFAOYSA-N 1 0 275.312 1.797 20 5 CDBDRO Cc1cc(C)cc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001126932104 909881851 /nfs/dbraw/zinc/88/18/51/909881851.db2.gz IVEULKNUAFLSFN-ZIAGYGMSSA-N 1 0 291.351 1.174 20 5 CDBDRO C[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(N)=O ZINC001172896208 912050317 /nfs/dbraw/zinc/05/03/17/912050317.db2.gz NFPHJOQRWOMHFW-CABZTGNLSA-N 1 0 277.324 1.306 20 5 CDBDRO Cc1ccnc(N2C[C@H](C)[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000070495728 916224981 /nfs/dbraw/zinc/22/49/81/916224981.db2.gz DUWSNCOAKIUBJX-UWVGGRQHSA-N 1 0 250.302 1.485 20 5 CDBDRO CCC1(Nc2ncnc(Cl)c2[N+](=O)[O-])C[NH2+]C1 ZINC001168575860 919246748 /nfs/dbraw/zinc/24/67/48/919246748.db2.gz SSMJXTZNUKFBEH-UHFFFAOYSA-N 1 0 257.681 1.202 20 5 CDBDRO CCOC(=O)c1cnc(NC2(CC)C[NH2+]C2)c([N+](=O)[O-])c1 ZINC001168580417 919271386 /nfs/dbraw/zinc/27/13/86/919271386.db2.gz JLDJJVMDAOHGSJ-UHFFFAOYSA-N 1 0 294.311 1.330 20 5 CDBDRO C[NH+](C)CCOc1cc(NC#N)ccc1[N+](=O)[O-] ZINC001168632663 919732243 /nfs/dbraw/zinc/73/22/43/919732243.db2.gz XFFRXVFVZRRCMZ-UHFFFAOYSA-N 1 0 250.258 1.428 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001154977988 926268377 /nfs/dbraw/zinc/26/83/77/926268377.db2.gz PMUKKVQHMDCHMW-YUMQZZPRSA-N 1 0 281.272 1.580 20 5 CDBDRO CC[C@H](O)CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843093954 937111652 /nfs/dbraw/zinc/11/16/52/937111652.db2.gz SCWHAROHLPDCHB-KBPBESRZSA-N 1 0 282.340 1.769 20 5 CDBDRO CCOC(=O)C1(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1 ZINC001168976731 927563166 /nfs/dbraw/zinc/56/31/66/927563166.db2.gz FWUFTOWBRAUFDO-NWDGAFQWSA-N 1 0 284.356 1.755 20 5 CDBDRO CN(C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977730 927563882 /nfs/dbraw/zinc/56/38/82/927563882.db2.gz LNOZFJIUOXHAQI-CRWXNKLISA-N 1 0 269.389 1.894 20 5 CDBDRO O=C(CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)NC1CCCCC1 ZINC001168978370 927565856 /nfs/dbraw/zinc/56/58/56/927565856.db2.gz RJOSZXZVSOFLDE-JSGCOSHPSA-N 1 0 297.399 1.860 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](CO)c2cccc(F)c2)C1 ZINC001168978184 927566191 /nfs/dbraw/zinc/56/61/91/927566191.db2.gz PKXAIWPDCHPHQW-HONMWMINSA-N 1 0 282.315 1.894 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCOc2cccnc2)C1 ZINC001168979238 927566318 /nfs/dbraw/zinc/56/63/18/927566318.db2.gz XRBIVIWKFPRVQU-NWDGAFQWSA-N 1 0 265.313 1.495 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CCC(CCO)CC2)C1 ZINC001168984966 927572189 /nfs/dbraw/zinc/57/21/89/927572189.db2.gz BXSXXWXPLXMVMT-FKZOYECMSA-N 1 0 270.373 1.963 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc3ccnn32)C1 ZINC001168984639 927573740 /nfs/dbraw/zinc/57/37/40/927573740.db2.gz PIVRFAKUAOEMHK-NWDGAFQWSA-N 1 0 274.324 1.869 20 5 CDBDRO Cc1nn(C)c(C)c1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168956893 927577132 /nfs/dbraw/zinc/57/71/32/927577132.db2.gz CMZYUIBICBXARZ-VXGBXAGGSA-N 1 0 266.345 1.572 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2ccc3c(c2)OCO3)C1 ZINC001168959973 927578958 /nfs/dbraw/zinc/57/89/58/927578958.db2.gz YJWJQLGORPJTLA-STQMWFEESA-N 1 0 292.335 1.993 20 5 CDBDRO CC(C)(C)OC(=O)N1CC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168960583 927579453 /nfs/dbraw/zinc/57/94/53/927579453.db2.gz FOXFQPYCSXJBCS-GHMZBOCLSA-N 1 0 299.371 1.641 20 5 CDBDRO Cc1cc(C)n(CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168964228 927587706 /nfs/dbraw/zinc/58/77/06/927587706.db2.gz SCABNZKDGZSVLL-QWHCGFSZSA-N 1 0 266.345 1.535 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cn3ccccc3n2)C1 ZINC001168968151 927592067 /nfs/dbraw/zinc/59/20/67/927592067.db2.gz WQKNSIFKNMUOAZ-RYUDHWBXSA-N 1 0 274.324 1.869 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc(CO)c2)C1 ZINC001168971379 927593435 /nfs/dbraw/zinc/59/34/35/927593435.db2.gz JYRDZGMIIKTZJH-GXTWGEPZSA-N 1 0 264.325 1.714 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](CO)[C@@H](O)c2ccccc2)C1 ZINC001168972662 927597495 /nfs/dbraw/zinc/59/74/95/927597495.db2.gz APHTYGYUZSJSFX-UNQGMJICSA-N 1 0 294.351 1.116 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccn(CCF)n2)C1 ZINC001168995825 927602296 /nfs/dbraw/zinc/60/22/96/927602296.db2.gz TYQZGFLUMJKLSS-GHMZBOCLSA-N 1 0 270.308 1.388 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3cnccn3)CC2)C1 ZINC001168997977 927602347 /nfs/dbraw/zinc/60/23/47/927602347.db2.gz GXKMEADAOMFKAY-QWRGUYRKSA-N 1 0 262.313 1.501 20 5 CDBDRO CC[C@H](C)[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)N(C)C ZINC001169004895 927609623 /nfs/dbraw/zinc/60/96/23/927609623.db2.gz RSTKSDBGYOFYCK-RNJOBUHISA-N 1 0 285.388 1.524 20 5 CDBDRO COC(=O)C12CCC([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)(CC1)C2 ZINC001169006518 927612148 /nfs/dbraw/zinc/61/21/48/927612148.db2.gz YITVBMKTNJFZLW-HGWMRPEMSA-N 1 0 296.367 1.897 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3OCCC[C@@H]3C2)C1 ZINC001169007139 927612626 /nfs/dbraw/zinc/61/26/26/927612626.db2.gz LKHSZSHRFHZMNS-YIYPIFLZSA-N 1 0 268.357 1.933 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2ccccc2O)C1 ZINC001168986647 927622005 /nfs/dbraw/zinc/62/20/05/927622005.db2.gz YCIZMPVFFNVMQC-YPMHNXCESA-N 1 0 264.325 1.970 20 5 CDBDRO CCCc1cc(C[NH3+])nn1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987904 927624065 /nfs/dbraw/zinc/62/40/65/927624065.db2.gz LEZMFTMBTNJZTG-MFKMUULPSA-N 1 0 266.345 1.912 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(CCO3)CC2)C1 ZINC001169033267 927642246 /nfs/dbraw/zinc/64/22/46/927642246.db2.gz BPONDPSEFXJXBD-VXGBXAGGSA-N 1 0 254.330 1.687 20 5 CDBDRO O=C1NCC2(CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)O1 ZINC001169039174 927651590 /nfs/dbraw/zinc/65/15/90/927651590.db2.gz NYHZDHPZRSYPMZ-MNOVXSKESA-N 1 0 283.328 1.006 20 5 CDBDRO O=c1ccc2c([nH]1)CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169040380 927652896 /nfs/dbraw/zinc/65/28/96/927652896.db2.gz ZMVFPBHTQKFSDA-WCQYABFASA-N 1 0 291.351 1.633 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1-n1ncc2c1cccc2C[NH3+] ZINC001169193357 927802435 /nfs/dbraw/zinc/80/24/35/927802435.db2.gz ZGEGNZVQHNEWNO-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO C[C@H]([NH3+])c1ccn(-c2cc([N+](=O)[O-])c3nccn3c2)n1 ZINC001169233828 927850339 /nfs/dbraw/zinc/85/03/39/927850339.db2.gz SOWJPSNRNVRYQA-QMMMGPOBSA-N 1 0 272.268 1.448 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(NCC23CC[NH+](CC2)CC3)n1 ZINC001169793434 928442149 /nfs/dbraw/zinc/44/21/49/928442149.db2.gz PXUVJDGKUKJEFH-UHFFFAOYSA-N 1 0 292.339 1.896 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)nc1NC[C@H]1COCC[NH2+]1 ZINC001170044098 929129389 /nfs/dbraw/zinc/12/93/89/929129389.db2.gz JZRWWVMMOMCRGJ-ZETCQYMHSA-N 1 0 272.692 1.044 20 5 CDBDRO O=C(CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CC1 ZINC000785856097 929183179 /nfs/dbraw/zinc/18/31/79/929183179.db2.gz DTOSUNOULZZLTL-UHFFFAOYSA-N 1 0 292.339 1.797 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@@H]2C[NH2+]C[C@H]2CO)cc2cc[nH]c21 ZINC001170777421 929943859 /nfs/dbraw/zinc/94/38/59/929943859.db2.gz CHKGJAYIESXHMN-GXSJLCMTSA-N 1 0 276.296 1.068 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1cc(Cl)cc([N+](=O)[O-])n1 ZINC001159743380 930783186 /nfs/dbraw/zinc/78/31/86/930783186.db2.gz DYMPSIRNYRMTQF-SECBINFHSA-N 1 0 260.681 1.112 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001159743295 930784173 /nfs/dbraw/zinc/78/41/73/930784173.db2.gz HTMQYYCBBHOFBU-ZDUSSCGKSA-N 1 0 276.296 1.612 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CCCC[NH2+]1 ZINC001160145584 931212081 /nfs/dbraw/zinc/21/20/81/931212081.db2.gz TWTVUYBWYDVBLY-SECBINFHSA-N 1 0 294.311 1.330 20 5 CDBDRO C[C@@]1([NH3+])CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246533964 931622416 /nfs/dbraw/zinc/62/24/16/931622416.db2.gz FCNVKNGBJSKEHV-ZIAGYGMSSA-N 1 0 261.325 1.485 20 5 CDBDRO Cc1ccnc(-n2cncc2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001155054266 937627867 /nfs/dbraw/zinc/62/78/67/937627867.db2.gz WDFVPKYERKEZEV-UHFFFAOYSA-N 1 0 287.323 1.951 20 5 CDBDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC[N+](=O)[O-])C1 ZINC001119744219 937752709 /nfs/dbraw/zinc/75/27/09/937752709.db2.gz VNWVIMKEYHPECQ-WDEREUQCSA-N 1 0 273.333 1.110 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](CO)CC2CC2)cc1 ZINC001120493466 937803428 /nfs/dbraw/zinc/80/34/28/937803428.db2.gz WKQVXPREPDZXIF-OCCSQVGLSA-N 1 0 280.324 1.379 20 5 CDBDRO CC(C)=CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001122991263 936099879 /nfs/dbraw/zinc/09/98/79/936099879.db2.gz MCUDQPVQRSZVEF-UHFFFAOYSA-N 1 0 277.324 1.767 20 5 CDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001120826535 937839745 /nfs/dbraw/zinc/83/97/45/937839745.db2.gz ANMDZXXZNRMQFO-ZYHUDNBSSA-N 1 0 291.355 1.493 20 5 CDBDRO CN(CC[NH3+])C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001121991337 937896942 /nfs/dbraw/zinc/89/69/42/937896942.db2.gz YMSNQYWQQZXIBH-VXGBXAGGSA-N 1 0 263.297 1.115 20 5 CDBDRO COc1cc(C)nc(N(C)C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001156172220 938327550 /nfs/dbraw/zinc/32/75/50/938327550.db2.gz LUXWTWLURILQRF-UHFFFAOYSA-N 1 0 280.328 1.495 20 5 CDBDRO [NH3+]Cc1cccn1-c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001156730712 938411272 /nfs/dbraw/zinc/41/12/72/938411272.db2.gz HRMIPUDBNQQZRM-UHFFFAOYSA-N 1 0 257.253 1.721 20 5 CDBDRO Cc1ccnc(-n2ccc(C[NH3+])cc2=N)c1[N+](=O)[O-] ZINC001156850173 938425968 /nfs/dbraw/zinc/42/59/68/938425968.db2.gz SDGAMZQWBLXAFT-UHFFFAOYSA-N 1 0 259.269 1.027 20 5 CDBDRO COc1cnc(N(C)[C@@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001156955242 938438407 /nfs/dbraw/zinc/43/84/07/938438407.db2.gz GXGKDLBPNQLILF-ZDUSSCGKSA-N 1 0 280.328 1.577 20 5 CDBDRO CCOc1nc(N(C)[C@]2(C)CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001156968923 938440212 /nfs/dbraw/zinc/44/02/12/938440212.db2.gz ZOZHVTGWOMPMCT-CQSZACIVSA-N 1 0 294.355 1.967 20 5 CDBDRO [NH3+][C@H]1CCc2nn(-c3ncc([N+](=O)[O-])cc3Cl)cc2C1 ZINC001157979660 938570901 /nfs/dbraw/zinc/57/09/01/938570901.db2.gz HDLMRTNLGCUUIA-QMMMGPOBSA-N 1 0 293.714 1.645 20 5 CDBDRO Cc1nc(N(CC[NH3+])c2cccnc2)ncc1[N+](=O)[O-] ZINC001158001305 938574151 /nfs/dbraw/zinc/57/41/51/938574151.db2.gz AURYWSNNPNCTMO-UHFFFAOYSA-N 1 0 274.284 1.185 20 5 CDBDRO CCN(c1nc(C)nc(Cl)c1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC001158199583 938594433 /nfs/dbraw/zinc/59/44/33/938594433.db2.gz BJVDUWKKBWIJHE-SECBINFHSA-N 1 0 299.762 1.925 20 5 CDBDRO C[C@@H]([NH3+])c1ccn(-c2cnc3cc([N+](=O)[O-])ccc3n2)n1 ZINC001158348449 938612330 /nfs/dbraw/zinc/61/23/30/938612330.db2.gz HGPILQXKCQDBKB-MRVPVSSYSA-N 1 0 284.279 1.743 20 5 CDBDRO CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C(C)(C)C1 ZINC001158569808 938638463 /nfs/dbraw/zinc/63/84/63/938638463.db2.gz YTPGGPLKOSXMQU-UHFFFAOYSA-N 1 0 279.344 1.614 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@](C)(C[NH3+])C1 ZINC001158673608 938648776 /nfs/dbraw/zinc/64/87/76/938648776.db2.gz KNQFMZHERJOJHZ-CYBMUJFWSA-N 1 0 264.329 1.863 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(-n2cc(CC[NH3+])c3ncccc32)n1 ZINC001158748695 938659847 /nfs/dbraw/zinc/65/98/47/938659847.db2.gz IYJZUOHRFTWWEL-UHFFFAOYSA-N 1 0 298.306 1.533 20 5 CDBDRO Cc1nc(Cl)nc(N2CCC3(C[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC001159039817 938694441 /nfs/dbraw/zinc/69/44/41/938694441.db2.gz PEJDOQQWGWGAHY-UHFFFAOYSA-N 1 0 297.746 1.536 20 5 CDBDRO COc1cc2ncnc(NC/C=C/C[NH3+])c2cc1[N+](=O)[O-] ZINC001160983195 938854340 /nfs/dbraw/zinc/85/43/40/938854340.db2.gz SYCCTDBBGTWKNN-NSCUHMNNSA-N 1 0 289.295 1.473 20 5 CDBDRO COCCC1([NH3+])CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC001162042084 938953633 /nfs/dbraw/zinc/95/36/33/938953633.db2.gz XDOSFPNTSFIOSG-UHFFFAOYSA-N 1 0 294.355 1.632 20 5 CDBDRO COc1cccc(N[C@@H](C)CN2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001162097501 938955598 /nfs/dbraw/zinc/95/55/98/938955598.db2.gz QYLBHXVBUAUINB-NSHDSACASA-N 1 0 294.355 1.309 20 5 CDBDRO C[C@@]1([NH3+])C[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001162328141 939024394 /nfs/dbraw/zinc/02/43/94/939024394.db2.gz JIWDIWTYVHZVLN-KTLJEJPDSA-N 1 0 273.296 1.830 20 5 CDBDRO COc1nc(N[C@@]2(C)CCC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC001162330770 939025659 /nfs/dbraw/zinc/02/56/59/939025659.db2.gz IWTUDMQUKQZZJN-LBPRGKRZSA-N 1 0 281.316 1.290 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3c2CNC3=O)C1 ZINC001162403025 939046018 /nfs/dbraw/zinc/04/60/18/939046018.db2.gz BNSQPRKPPXWJQT-RKDXNWHRSA-N 1 0 290.323 1.520 20 5 CDBDRO C[C@@H]1C[C@@H](CNc2cnc(F)c([N+](=O)[O-])c2)C[NH2+]1 ZINC001162558694 939087445 /nfs/dbraw/zinc/08/74/45/939087445.db2.gz FSZULVNAHLDCMF-HTQZYQBOSA-N 1 0 254.265 1.539 20 5 CDBDRO COc1nc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)ccc1[N+](=O)[O-] ZINC001162790906 939140337 /nfs/dbraw/zinc/14/03/37/939140337.db2.gz XPPHFZXSWTYBRV-OPRDCNLKSA-N 1 0 276.296 1.184 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1C=C[C@@H]2C[NH2+]C[C@@H]12 ZINC001162791060 939140474 /nfs/dbraw/zinc/14/04/74/939140474.db2.gz YMVVUWGSCPDJKB-SZEHBUNVSA-N 1 0 280.715 1.829 20 5 CDBDRO COc1cc(NC[C@@H]2CC[NH2+]C[C@@H]2F)ncc1[N+](=O)[O-] ZINC001162802876 939146012 /nfs/dbraw/zinc/14/60/12/939146012.db2.gz XQNDYBMYNSCQLD-IUCAKERBSA-N 1 0 284.291 1.358 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)nc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163203587 939224802 /nfs/dbraw/zinc/22/48/02/939224802.db2.gz ZQULITZHAYWWQO-RDDDGLTNSA-N 1 0 284.703 1.186 20 5 CDBDRO O=[N+]([O-])c1ncccc1NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163277623 939238745 /nfs/dbraw/zinc/23/87/45/939238745.db2.gz FIAXBUSUTQWVPA-SMDDNHRTSA-N 1 0 292.339 1.560 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)n1 ZINC001163322434 939247013 /nfs/dbraw/zinc/24/70/13/939247013.db2.gz ICXRCKYBRFOHCE-SMDDNHRTSA-N 1 0 292.339 1.621 20 5 CDBDRO [NH3+]CCONc1cnc(Oc2ccc([N+](=O)[O-])cc2)nc1 ZINC001164429694 939473050 /nfs/dbraw/zinc/47/30/50/939473050.db2.gz OUQUASPKFVTWOR-UHFFFAOYSA-N 1 0 291.267 1.479 20 5 CDBDRO COc1cc(N2C[C@H](C[NH3+])CC[C@H]2C)ncc1[N+](=O)[O-] ZINC001164462870 939476061 /nfs/dbraw/zinc/47/60/61/939476061.db2.gz VIPYASCRQFFNDN-ZJUUUORDSA-N 1 0 280.328 1.562 20 5 CDBDRO Cc1c(C)c(-n2ncc3c2CC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001165218374 939525795 /nfs/dbraw/zinc/52/57/95/939525795.db2.gz CFNRINJTNHABIU-UHFFFAOYSA-N 1 0 273.296 1.438 20 5 CDBDRO COc1cc(N2CC[C@]3(C2)CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001165236113 939530351 /nfs/dbraw/zinc/53/03/51/939530351.db2.gz FMESLUZEYGTHFU-CQSZACIVSA-N 1 0 292.339 1.578 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CCCCC23CC[NH2+]CC3)c1 ZINC001165337226 939547732 /nfs/dbraw/zinc/54/77/32/939547732.db2.gz KXQSAYYOTIFHPF-UHFFFAOYSA-N 1 0 292.339 1.341 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cc(N2CCC[C@H]3[NH2+]C[C@H]32)n1 ZINC001165392422 939557542 /nfs/dbraw/zinc/55/75/42/939557542.db2.gz POBJVGSCIQSNQK-RKDXNWHRSA-N 1 0 268.704 1.584 20 5 CDBDRO O=[N+]([O-])c1ccnc(N2CCC(C3C[NH2+]C3)CC2)c1 ZINC001165408761 939560168 /nfs/dbraw/zinc/56/01/68/939560168.db2.gz CVIUUJHKZXKMIR-UHFFFAOYSA-N 1 0 262.313 1.426 20 5 CDBDRO COC(=O)[C@@H](O[C@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001217823979 941021228 /nfs/dbraw/zinc/02/12/28/941021228.db2.gz IWTUMPMCWIHIAM-CABZTGNLSA-N 1 0 280.280 1.187 20 5 CDBDRO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@H]1CCC[NH2+]C1 ZINC001217859770 941024744 /nfs/dbraw/zinc/02/47/44/941024744.db2.gz GURKTYCAVCGAHI-JTQLQIEISA-N 1 0 294.307 1.650 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1Cl)ncnc2O[C@H]1CC[NH2+]C1 ZINC001218179891 941042414 /nfs/dbraw/zinc/04/24/14/941042414.db2.gz SFKPQNQXHDVZOS-ZETCQYMHSA-N 1 0 294.698 1.932 20 5 CDBDRO Nc1ccc(O[C@H]2C[NH2+]CC[C@H]2F)cc1[N+](=O)[O-] ZINC001218321295 941053978 /nfs/dbraw/zinc/05/39/78/941053978.db2.gz FCGYOYRBPHNNNV-KCJUWKMLSA-N 1 0 255.249 1.256 20 5 CDBDRO CC(C)[N@@H+]1CCCC[C@@H]1Cn1ncc([N+](=O)[O-])c1N ZINC001330061083 941555102 /nfs/dbraw/zinc/55/51/02/941555102.db2.gz WQVUWUOYOCPJCH-SNVBAGLBSA-N 1 0 267.333 1.636 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@H](C)C[NH+](C)C ZINC001223450114 941678696 /nfs/dbraw/zinc/67/86/96/941678696.db2.gz JURORCBRVYBPFR-SNVBAGLBSA-N 1 0 296.323 1.848 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCc1ncnn1Cc1ccccc1 ZINC001224154230 941724817 /nfs/dbraw/zinc/72/48/17/941724817.db2.gz NEIFRQXKUFRIJU-CQSZACIVSA-N 1 0 289.403 1.938 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCc1ccc(-n2ccnn2)cc1 ZINC001224190090 941729090 /nfs/dbraw/zinc/72/90/90/941729090.db2.gz AMTFRNGHSFZCTI-CYBMUJFWSA-N 1 0 275.376 1.879 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2F)C1 ZINC001225795103 941914254 /nfs/dbraw/zinc/91/42/54/941914254.db2.gz CPCUGLRIKGLQKG-SNVBAGLBSA-N 1 0 284.287 1.833 20 5 CDBDRO Cc1ccnc(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2N3C)c1[N+](=O)[O-] ZINC001226116652 941953552 /nfs/dbraw/zinc/95/35/52/941953552.db2.gz SRDQQCGFEMWTHA-MVWJERBFSA-N 1 0 291.307 1.481 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001226969719 942103906 /nfs/dbraw/zinc/10/39/06/942103906.db2.gz ULESPVHXHOVPDU-LLVKDONJSA-N 1 0 297.331 1.266 20 5 CDBDRO CCN1CC(Oc2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001227216092 942151009 /nfs/dbraw/zinc/15/10/09/942151009.db2.gz PWEXBQRBLAYONC-UHFFFAOYSA-N 1 0 289.291 1.932 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2nc3c(cccc3[N+](=O)[O-])o2)C1 ZINC001227236919 942155361 /nfs/dbraw/zinc/15/53/61/942155361.db2.gz BVBUAJWJNCPOPL-MRVPVSSYSA-N 1 0 263.253 1.819 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(c1)CCNC2=O ZINC001227918652 942243543 /nfs/dbraw/zinc/24/35/43/942243543.db2.gz XXFUVDBAKCYSRC-LLVKDONJSA-O 1 0 263.361 1.446 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227987627 942252601 /nfs/dbraw/zinc/25/26/01/942252601.db2.gz JJDVLTDBIVHFPA-LLVKDONJSA-N 1 0 251.286 1.851 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](Oc2ncncc2[N+](=O)[O-])C1 ZINC001228654562 942348918 /nfs/dbraw/zinc/34/89/18/942348918.db2.gz LAXTYSNAYHKKBS-VIFPVBQESA-N 1 0 252.274 1.246 20 5 CDBDRO CC(C)(C)[NH+]1CCC(Oc2cc[n+]([O-])cc2[N+](=O)[O-])CC1 ZINC001229455646 942476621 /nfs/dbraw/zinc/47/66/21/942476621.db2.gz KVKQOPDGTCHOEF-UHFFFAOYSA-N 1 0 295.339 1.870 20 5 CDBDRO C[N@@H+]1CCC[C@H](Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)C1 ZINC001230230369 942592396 /nfs/dbraw/zinc/59/23/96/942592396.db2.gz OSJYWQVRZHRUCN-QMMMGPOBSA-N 1 0 277.284 1.339 20 5 CDBDRO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@@H]1CC[N@@H+](C)C1 ZINC001230247140 942594684 /nfs/dbraw/zinc/59/46/84/942594684.db2.gz DQJOQFZVQYKTMV-LLVKDONJSA-N 1 0 279.296 1.636 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(N)nc1Br ZINC001234660707 943932233 /nfs/dbraw/zinc/93/22/33/943932233.db2.gz MKHUPJIUBDVYBR-QMMMGPOBSA-N 1 0 289.197 1.900 20 5 CDBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261458993 946127511 /nfs/dbraw/zinc/12/75/11/946127511.db2.gz UAJHWFJXFVJXNT-RNCFNFMXSA-N 1 0 275.308 1.435 20 5 CDBDRO C[NH+](C)C1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001262337459 946588874 /nfs/dbraw/zinc/58/88/74/946588874.db2.gz OUUZBRNNBDOZLJ-ZIAGYGMSSA-N 1 0 289.335 1.471 20 5 CDBDRO CC(=O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465640 947450262 /nfs/dbraw/zinc/45/02/62/947450262.db2.gz IDHUZPIHEIJFBU-UHFFFAOYSA-N 1 0 277.324 1.742 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H](O)CF)CC2)cc1 ZINC001254472906 947450510 /nfs/dbraw/zinc/45/05/10/947450510.db2.gz UOBQPHLKSWHXCK-AWEZNQCLSA-N 1 0 297.330 1.484 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C)C1 ZINC001254531651 947507717 /nfs/dbraw/zinc/50/77/17/947507717.db2.gz GFSLOXWMKMGFKR-DGCLKSJQSA-N 1 0 263.341 1.820 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C=CS(=O)(=O)C1 ZINC001254535140 947516297 /nfs/dbraw/zinc/51/62/97/947516297.db2.gz HNPLKYHLGBATJA-JQWIXIFHSA-N 1 0 296.348 1.426 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1cc(C[NH3+])cnc1=N ZINC001254543770 947518357 /nfs/dbraw/zinc/51/83/57/947518357.db2.gz GYHPIQOFBMLFRD-SNVBAGLBSA-N 1 0 287.323 1.533 20 5 CDBDRO CC(C)(CO)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254567429 947527584 /nfs/dbraw/zinc/52/75/84/947527584.db2.gz NWCNDXWEAUCWBY-LLVKDONJSA-N 1 0 250.298 1.423 20 5 CDBDRO COC[C@H](C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254566423 947529064 /nfs/dbraw/zinc/52/90/64/947529064.db2.gz JXWMULROEVMAND-JOYOIKCWSA-N 1 0 250.298 1.687 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCN1CCC1)C2 ZINC001254580120 947537365 /nfs/dbraw/zinc/53/73/65/947537365.db2.gz CBZUFAQKRJPQGT-ZDUSSCGKSA-N 1 0 261.325 1.357 20 5 CDBDRO CC(C)(O)CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580467 947537675 /nfs/dbraw/zinc/53/76/75/947537675.db2.gz CZVJHNLYGYPWDJ-GFCCVEGCSA-N 1 0 264.325 1.813 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1COC[C@@H]1F)C2 ZINC001254589414 947541982 /nfs/dbraw/zinc/54/19/82/947541982.db2.gz OFHBAJMEHSEOGC-WXHSDQCUSA-N 1 0 266.272 1.389 20 5 CDBDRO C[C@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1O ZINC001254592747 947543005 /nfs/dbraw/zinc/54/30/05/947543005.db2.gz GJLAOLNOVYWSSD-FZZIBODNSA-N 1 0 262.309 1.375 20 5 CDBDRO C[C@]1([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCOC1 ZINC001254590665 947543440 /nfs/dbraw/zinc/54/34/40/947543440.db2.gz YHZZXZGSVCJRIS-JSGCOSHPSA-N 1 0 262.309 1.831 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@@H]1CO)C2 ZINC001254601087 947548531 /nfs/dbraw/zinc/54/85/31/947548531.db2.gz ZBXPPJMABTXHFW-CABCVRRESA-N 1 0 276.336 1.909 20 5 CDBDRO C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601081 947550746 /nfs/dbraw/zinc/55/07/46/947550746.db2.gz YPIPJHFHVRMTLN-WPGHFRTFSA-N 1 0 289.379 1.992 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@]13CCOC3)C2 ZINC001254610525 947556175 /nfs/dbraw/zinc/55/61/75/947556175.db2.gz KLMCZAXJRWGMGT-HUUCEWRRSA-N 1 0 274.320 1.927 20 5 CDBDRO N[C@]1(C(F)(F)F)CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246565441 948283369 /nfs/dbraw/zinc/28/33/69/948283369.db2.gz CANLKEXNCRGTHQ-LPEHRKFASA-N 1 0 281.278 1.397 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CCCC[NH3+] ZINC001326324558 954321182 /nfs/dbraw/zinc/32/11/82/954321182.db2.gz CLYYWRMXNWUYRX-SNVBAGLBSA-N 1 0 294.355 1.884 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC001326361300 954339224 /nfs/dbraw/zinc/33/92/24/954339224.db2.gz LBVFEMOCASJSCJ-JTQLQIEISA-N 1 0 292.339 1.461 20 5 CDBDRO CC1=NO[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335382682 954640858 /nfs/dbraw/zinc/64/08/58/954640858.db2.gz QLOPDCLMOLWWMN-QWHCGFSZSA-N 1 0 279.296 1.383 20 5 CDBDRO CC1=NO[C@@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335382421 954641137 /nfs/dbraw/zinc/64/11/37/954641137.db2.gz QLOPDCLMOLWWMN-CHWSQXEVSA-N 1 0 279.296 1.383 20 5 CDBDRO Cc1nc(N[C@H]2CC[N@H+](CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001327983095 955147049 /nfs/dbraw/zinc/14/70/49/955147049.db2.gz NQDIRJBDMBJVNG-NSHDSACASA-N 1 0 277.328 1.589 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC2CCC1CC2 ZINC001331772260 957254000 /nfs/dbraw/zinc/25/40/00/957254000.db2.gz XBIITCUTSFONHC-UHFFFAOYSA-N 1 0 264.329 1.974 20 5 CDBDRO CN(C)C(C)(C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335385190 959763972 /nfs/dbraw/zinc/76/39/72/959763972.db2.gz XNOBUEZYQVQTSH-CYBMUJFWSA-N 1 0 281.356 1.558 20 5 CDBDRO CC1=NO[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001335426285 959795050 /nfs/dbraw/zinc/79/50/50/959795050.db2.gz OOYHXQGHBVAUTM-CHWSQXEVSA-N 1 0 279.296 1.383 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCCN(CC(F)(F)F)C1 ZINC001336830660 960639474 /nfs/dbraw/zinc/63/94/74/960639474.db2.gz JBTIXPHUMAICPW-SECBINFHSA-N 1 0 269.267 1.127 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NCC[NH+]1CCCCC1 ZINC001324269159 961274754 /nfs/dbraw/zinc/27/47/54/961274754.db2.gz WFKCGVLWGWNTGA-UHFFFAOYSA-N 1 0 264.329 1.618 20 5 CDBDRO Nc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001337732701 961390307 /nfs/dbraw/zinc/39/03/07/961390307.db2.gz DPDDJCTWHGKAMP-VHSXEESVSA-N 1 0 277.328 1.611 20 5 CDBDRO C[C@H]1CCC[N@H+](CCNc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001337734079 961392079 /nfs/dbraw/zinc/39/20/79/961392079.db2.gz NROWHMQCNDZBCB-JTQLQIEISA-N 1 0 279.344 1.716 20 5 CDBDRO C[C@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC001337788140 961419724 /nfs/dbraw/zinc/41/97/24/961419724.db2.gz MQMBRUJAAAULMS-IUCAKERBSA-N 1 0 265.317 1.467 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1C=CCC1 ZINC001338489845 961837703 /nfs/dbraw/zinc/83/77/03/961837703.db2.gz XRJBBPJFTMFBAB-VXGBXAGGSA-N 1 0 278.308 1.643 20 5 CDBDRO CSCC[C@@H]([NH3+])C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001340080468 962729046 /nfs/dbraw/zinc/72/90/46/962729046.db2.gz WEAUCNAYQZWTNN-SNVBAGLBSA-N 1 0 295.364 1.564 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341657782 963500512 /nfs/dbraw/zinc/50/05/12/963500512.db2.gz HFMPSTLMKUEBPP-AXTRIDKLSA-N 1 0 263.297 1.162 20 5 CDBDRO C[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001342519901 963757717 /nfs/dbraw/zinc/75/77/17/963757717.db2.gz WCUQBBDSERCIIK-IUCAKERBSA-N 1 0 251.286 1.380 20 5 CDBDRO C[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001344789296 964428821 /nfs/dbraw/zinc/42/88/21/964428821.db2.gz FURXRYFREYMMPL-TVQRCGJNSA-N 1 0 277.324 1.899 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001346025877 964890306 /nfs/dbraw/zinc/89/03/06/964890306.db2.gz CHRFFWRPFXVDGK-VXGBXAGGSA-N 1 0 276.340 1.759 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001349154274 966279166 /nfs/dbraw/zinc/27/91/66/966279166.db2.gz UKEHFQDBUOQIOS-NSHDSACASA-N 1 0 294.355 1.511 20 5 CDBDRO Cc1cc(F)cc(C(=O)NOCC[NH+](C)C)c1[N+](=O)[O-] ZINC001351013203 966829024 /nfs/dbraw/zinc/82/90/24/966829024.db2.gz PMEIRJRYJNCDRG-UHFFFAOYSA-N 1 0 285.275 1.265 20 5 CDBDRO C[C@H](NC(=O)[C@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001354829803 968923951 /nfs/dbraw/zinc/92/39/51/968923951.db2.gz MSPONVYYZXPIOM-GXFFZTMASA-N 1 0 277.324 1.914 20 5 CDBDRO Cc1ccc(C(=O)N2CCC[C@@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001355626381 969230811 /nfs/dbraw/zinc/23/08/11/969230811.db2.gz HYANUQIDUJMHEF-HNNXBMFYSA-N 1 0 289.335 1.871 20 5 CDBDRO COc1cccc(C(=O)N2CC[C@@H](CC[NH3+])C2)c1[N+](=O)[O-] ZINC001358251590 969713195 /nfs/dbraw/zinc/71/31/95/969713195.db2.gz ZXXAHSPFTZABBQ-SNVBAGLBSA-N 1 0 293.323 1.414 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC[C@@](C)(C[NH3+])C1 ZINC001158678818 1163412783 /nfs/dbraw/zinc/41/27/83/1163412783.db2.gz OXGYVVMZBKFXCK-ZDUSSCGKSA-N 1 0 280.328 1.102 20 5 CDBDRO C[NH+]1CC2(CN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)C2)C1 ZINC001158866226 1163742744 /nfs/dbraw/zinc/74/27/44/1163742744.db2.gz KQAZJMLQYNHXCQ-UHFFFAOYSA-N 1 0 273.296 1.223 20 5 CDBDRO COCC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001573978754 1170852978 /nfs/dbraw/zinc/85/29/78/1170852978.db2.gz XVQHHGYBGCOJIG-BXKDBHETSA-N 1 0 281.312 1.136 20 5 CDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)OC1C[NH2+]C1 ZINC001578480863 1171930207 /nfs/dbraw/zinc/93/02/07/1171930207.db2.gz MODGRBPBBVCDCH-UHFFFAOYSA-N 1 0 279.296 1.178 20 5 CDBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000588996688 342477960 /nfs/dbraw/zinc/47/79/60/342477960.db2.gz OBKVTHYEZVXWIX-PHIMTYICSA-N 1 0 292.339 1.545 20 5 CDBDRO COC[C@@](C)(CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000601140868 342479902 /nfs/dbraw/zinc/47/99/02/342479902.db2.gz CSLJMGDCAUNSBP-CYBMUJFWSA-N 1 0 284.312 1.090 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]2CC[NH2+][C@@H]2C)cccc1[N+](=O)[O-] ZINC000231857007 341994748 /nfs/dbraw/zinc/99/47/48/341994748.db2.gz QPEJYTPGBWLJFQ-ZYHUDNBSSA-N 1 0 277.324 1.517 20 5 CDBDRO COc1ccc(OCCN2C[C@@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000601330583 342554669 /nfs/dbraw/zinc/55/46/69/342554669.db2.gz UXZWCFWXSKEASV-QWRGUYRKSA-N 1 0 295.339 1.404 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000322857300 342568423 /nfs/dbraw/zinc/56/84/23/342568423.db2.gz STDMXVVRJJBQQK-XYPYZODXSA-N 1 0 277.324 1.903 20 5 CDBDRO COCC1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000590600334 342579833 /nfs/dbraw/zinc/57/98/33/342579833.db2.gz JSCBTGKZVLUGPW-UHFFFAOYSA-N 1 0 294.351 1.923 20 5 CDBDRO [NH3+]CCCCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000070203099 361789418 /nfs/dbraw/zinc/78/94/18/361789418.db2.gz VCYLZPNVXFSJMO-UHFFFAOYSA-N 1 0 265.313 1.383 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591275116 342623935 /nfs/dbraw/zinc/62/39/35/342623935.db2.gz DNBGXWCJNWXBOD-NSHDSACASA-N 1 0 295.339 1.439 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCCC[NH2+]2)c1 ZINC000591430049 342630023 /nfs/dbraw/zinc/63/00/23/342630023.db2.gz UQQXHBBMTWYVRF-LLVKDONJSA-N 1 0 293.323 1.935 20 5 CDBDRO O=[N+]([O-])c1ccc(CCN2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000591448636 342632989 /nfs/dbraw/zinc/63/29/89/342632989.db2.gz KUVFBTHDAIWWDJ-HIFRSBDPSA-N 1 0 275.352 1.821 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c(F)c1 ZINC000591442945 342632526 /nfs/dbraw/zinc/63/25/26/342632526.db2.gz WCACRIRQIDBBDH-DTWKUNHWSA-N 1 0 266.276 1.175 20 5 CDBDRO COc1cccc(C(=O)N[C@@H](C[NH3+])C2CC2)c1[N+](=O)[O-] ZINC000591679364 342641742 /nfs/dbraw/zinc/64/17/42/342641742.db2.gz RNMVSCHBXMGBLE-JTQLQIEISA-N 1 0 279.296 1.071 20 5 CDBDRO Cc1cc(C(=O)N2CCC(C)([NH3+])CC2)cc([N+](=O)[O-])c1 ZINC000592331734 342685517 /nfs/dbraw/zinc/68/55/17/342685517.db2.gz YHPKREBAFHEFDL-UHFFFAOYSA-N 1 0 277.324 1.857 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(OC[C@@H]2CC[NH2+]C2)c1 ZINC000592158476 342670492 /nfs/dbraw/zinc/67/04/92/342670492.db2.gz DREAUENKHQFEQW-SECBINFHSA-N 1 0 280.280 1.370 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000592434790 342692290 /nfs/dbraw/zinc/69/22/90/342692290.db2.gz PTNUCWMFRDWPRI-JQWIXIFHSA-N 1 0 285.294 1.866 20 5 CDBDRO CC[C@H](NC(=O)[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000592538062 342707938 /nfs/dbraw/zinc/70/79/38/342707938.db2.gz NNYHJXFVFIFHIA-QWHCGFSZSA-N 1 0 277.324 1.914 20 5 CDBDRO CC[C@@H]([NH3+])C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000592558743 342709591 /nfs/dbraw/zinc/70/95/91/342709591.db2.gz ZTAXKMHPYVZRRJ-GFCCVEGCSA-N 1 0 277.324 1.823 20 5 CDBDRO CCCN(C(=O)c1[nH]nc(C)c1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000592830994 342741451 /nfs/dbraw/zinc/74/14/51/342741451.db2.gz KBNHQCZNOXPWAO-SNVBAGLBSA-N 1 0 295.343 1.183 20 5 CDBDRO C[C@H](CCO)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000593106750 342768550 /nfs/dbraw/zinc/76/85/50/342768550.db2.gz BQFAJWKEESRHTN-LLVKDONJSA-N 1 0 295.339 1.626 20 5 CDBDRO C[C@@H]([NH2+][C@@H](CO)CCF)c1cccc([N+](=O)[O-])c1 ZINC000593718732 342828622 /nfs/dbraw/zinc/82/86/22/342828622.db2.gz QBZFESTWGYRGPA-MWLCHTKSSA-N 1 0 256.277 1.966 20 5 CDBDRO O=C(NCCC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000593918676 342851135 /nfs/dbraw/zinc/85/11/35/342851135.db2.gz IHZIUJMFCRRTAZ-UHFFFAOYSA-N 1 0 266.301 1.042 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000593901274 342853523 /nfs/dbraw/zinc/85/35/23/342853523.db2.gz DRCAUWPWEFIALT-GFCCVEGCSA-N 1 0 291.351 1.943 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000324820057 539076947 /nfs/dbraw/zinc/07/69/47/539076947.db2.gz VXFSPBUTSZJZEP-KBPBESRZSA-N 1 0 294.355 1.321 20 5 CDBDRO C[C@H](CO)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594501981 342914553 /nfs/dbraw/zinc/91/45/53/342914553.db2.gz ACGHQCOXOWXLFQ-JOYOIKCWSA-N 1 0 250.298 1.800 20 5 CDBDRO O=C1NCCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594516802 342917172 /nfs/dbraw/zinc/91/71/72/342917172.db2.gz FKKAEOKRRBVCDF-GXFFZTMASA-N 1 0 289.335 1.698 20 5 CDBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c2ccncc21 ZINC000107571416 349705877 /nfs/dbraw/zinc/70/58/77/349705877.db2.gz HOWIZPNXWCDRGG-QWRGUYRKSA-N 1 0 284.319 1.799 20 5 CDBDRO COCC[C@@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041149 342998411 /nfs/dbraw/zinc/99/84/11/342998411.db2.gz YSLFNAHKPJWEQZ-QWRGUYRKSA-N 1 0 298.339 1.651 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CNC(=O)C1 ZINC000595043785 342998669 /nfs/dbraw/zinc/99/86/69/342998669.db2.gz AFAASPPPNYSJCO-UWVGGRQHSA-N 1 0 293.323 1.390 20 5 CDBDRO CCc1ccc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000154129470 529600380 /nfs/dbraw/zinc/60/03/80/529600380.db2.gz GVWRDYDMZCWKMT-GHMZBOCLSA-N 1 0 291.351 1.980 20 5 CDBDRO CC(C)C1C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000619506668 349757235 /nfs/dbraw/zinc/75/72/35/349757235.db2.gz FEKGPKMGRIHEDG-CYBMUJFWSA-N 1 0 294.351 1.922 20 5 CDBDRO Cc1noc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000595433408 343059225 /nfs/dbraw/zinc/05/92/25/343059225.db2.gz WKKMIQGJLCJUNW-WCBMZHEXSA-N 1 0 269.301 1.796 20 5 CDBDRO Cc1noc(C[NH2+][C@@H](CO)C2CCCC2)c1[N+](=O)[O-] ZINC000595489846 343075850 /nfs/dbraw/zinc/07/58/50/343075850.db2.gz JGEUDKWKSVDOES-JTQLQIEISA-N 1 0 269.301 1.532 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1=CCSC1 ZINC000595888403 343181145 /nfs/dbraw/zinc/18/11/45/343181145.db2.gz LHPMNWXCWJSHKE-UHFFFAOYSA-N 1 0 295.364 1.362 20 5 CDBDRO Cc1c(C(=O)N(C)CC(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC000595941248 343203682 /nfs/dbraw/zinc/20/36/82/343203682.db2.gz CGCNMRPMWXJXHZ-UHFFFAOYSA-N 1 0 265.313 1.713 20 5 CDBDRO Cc1cc(C(=O)NCC2([NH3+])CCCC2)ccc1[N+](=O)[O-] ZINC000595942432 343204461 /nfs/dbraw/zinc/20/44/61/343204461.db2.gz XNGIIGJCBIEPEL-UHFFFAOYSA-N 1 0 277.324 1.905 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[NH2+]C ZINC000595983670 343211116 /nfs/dbraw/zinc/21/11/16/343211116.db2.gz QHRJASVIRIMXDV-VIFPVBQESA-N 1 0 281.312 1.331 20 5 CDBDRO Nc1ccc(N2CCC[C@H](CC[NH3+])C2)nc1[N+](=O)[O-] ZINC000596015627 343219273 /nfs/dbraw/zinc/21/92/73/343219273.db2.gz FVLBKDCBEKLTIG-SECBINFHSA-N 1 0 265.317 1.137 20 5 CDBDRO Cc1ccc(NC(=O)[C@H]2CCO[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000595925041 343193240 /nfs/dbraw/zinc/19/32/40/343193240.db2.gz TYWVNKARMLITFU-JQWIXIFHSA-N 1 0 279.296 1.206 20 5 CDBDRO C[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000596110602 343230058 /nfs/dbraw/zinc/23/00/58/343230058.db2.gz QPAVXFQNYPFAIZ-MRVPVSSYSA-N 1 0 266.301 1.590 20 5 CDBDRO Nc1ccc(N2CCC[C@@H](n3ccnc3)C2)nc1[N+](=O)[O-] ZINC000596112903 343230283 /nfs/dbraw/zinc/23/02/83/343230283.db2.gz WLINABVNKUWCCD-SNVBAGLBSA-N 1 0 288.311 1.610 20 5 CDBDRO C[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])C[NH+](C)C ZINC000596238592 343283677 /nfs/dbraw/zinc/28/36/77/343283677.db2.gz VVKLZSGEGXQPJF-MRVPVSSYSA-N 1 0 254.290 1.305 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000596246633 343286067 /nfs/dbraw/zinc/28/60/67/343286067.db2.gz XLBKEMCWHZVZKU-GXSJLCMTSA-N 1 0 281.360 1.648 20 5 CDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H](C)C[N@@H+]1C ZINC000596176941 343261186 /nfs/dbraw/zinc/26/11/86/343261186.db2.gz ACJOYNVYRXTHFR-ZJUUUORDSA-N 1 0 292.339 1.223 20 5 CDBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000296742895 529699749 /nfs/dbraw/zinc/69/97/49/529699749.db2.gz ARGGLFYRSDRLLO-JTQLQIEISA-N 1 0 280.328 1.479 20 5 CDBDRO Cc1nn(C)c(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000376261179 282272525 /nfs/dbraw/zinc/27/25/25/282272525.db2.gz XYYGASOXOVASEC-ZYHUDNBSSA-N 1 0 293.371 1.700 20 5 CDBDRO Cc1c(C(=O)N2CC[N@@H+]3CC[C@H]2C3)cccc1[N+](=O)[O-] ZINC000597710640 343607297 /nfs/dbraw/zinc/60/72/97/343607297.db2.gz XHACHWOQWNJAKU-NSHDSACASA-N 1 0 275.308 1.433 20 5 CDBDRO C[NH+](C)CC(C)(C)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000457223202 365795031 /nfs/dbraw/zinc/79/50/31/365795031.db2.gz PCDDPKFGUXJEPQ-UHFFFAOYSA-N 1 0 295.339 1.430 20 5 CDBDRO Cc1ccc(C(=O)NCC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000597999962 343685895 /nfs/dbraw/zinc/68/58/95/343685895.db2.gz UDJKKPGXBJZNOB-LLVKDONJSA-N 1 0 279.340 1.973 20 5 CDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000598342017 343770838 /nfs/dbraw/zinc/77/08/38/343770838.db2.gz JVVSQQDCUNSDQV-LBPRGKRZSA-N 1 0 295.314 1.948 20 5 CDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000598341996 343770867 /nfs/dbraw/zinc/77/08/67/343770867.db2.gz ATUKAJMPEKMWEM-JTQLQIEISA-N 1 0 280.328 1.147 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599175652 343965755 /nfs/dbraw/zinc/96/57/55/343965755.db2.gz GTACXMSZSHSWCV-LLVKDONJSA-N 1 0 265.313 1.382 20 5 CDBDRO [NH3+]C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000036753591 347031322 /nfs/dbraw/zinc/03/13/22/347031322.db2.gz IRLYNDHOMVMCRM-UHFFFAOYSA-N 1 0 264.285 1.550 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601971454 344300489 /nfs/dbraw/zinc/30/04/89/344300489.db2.gz BSJHLTIEZKQSAI-TXEJJXNPSA-N 1 0 278.308 1.552 20 5 CDBDRO COc1cc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000601973041 344300736 /nfs/dbraw/zinc/30/07/36/344300736.db2.gz KNRTYHFDYWYISJ-PHIMTYICSA-N 1 0 296.298 1.821 20 5 CDBDRO C[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000602430603 344423203 /nfs/dbraw/zinc/42/32/03/344423203.db2.gz JPAQPYBCYOHHLG-NXEZZACHSA-N 1 0 295.314 1.852 20 5 CDBDRO CC[NH2+][C@@H](C)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000602442514 344430400 /nfs/dbraw/zinc/43/04/00/344430400.db2.gz CBFNLDNJMAMDAK-JTQLQIEISA-N 1 0 265.313 1.551 20 5 CDBDRO CC[NH2+][C@H](C)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000602437663 344416603 /nfs/dbraw/zinc/41/66/03/344416603.db2.gz ISPOASPKZONUTG-SNVBAGLBSA-N 1 0 280.328 1.121 20 5 CDBDRO COc1ccc(C(=O)N2C[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000602598966 344503923 /nfs/dbraw/zinc/50/39/23/344503923.db2.gz MJBIZJICFDCAOP-SCZZXKLOSA-N 1 0 279.296 1.165 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602487961 344449970 /nfs/dbraw/zinc/44/99/70/344449970.db2.gz XLWZOABCUZAJRS-RKDXNWHRSA-N 1 0 281.287 1.543 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2CCCNC(=O)C2)cc1[N+](=O)[O-] ZINC000602525794 344453912 /nfs/dbraw/zinc/45/39/12/344453912.db2.gz BIGXVMGFLOHBMQ-LLVKDONJSA-N 1 0 293.323 1.362 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2CCCNC(=O)C2)cc1[N+](=O)[O-] ZINC000602525795 344453949 /nfs/dbraw/zinc/45/39/49/344453949.db2.gz BIGXVMGFLOHBMQ-NSHDSACASA-N 1 0 293.323 1.362 20 5 CDBDRO Cc1c(C(=O)N2CC[NH2+]C[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000602527069 344454400 /nfs/dbraw/zinc/45/44/00/344454400.db2.gz JKUHKWZCJFWMNI-CQSZACIVSA-N 1 0 291.351 1.973 20 5 CDBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000602530955 344455944 /nfs/dbraw/zinc/45/59/44/344455944.db2.gz UASDNOHZOLKVFB-CQSZACIVSA-N 1 0 291.351 1.594 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000602535563 344471129 /nfs/dbraw/zinc/47/11/29/344471129.db2.gz PYQHYKSPOPQQMS-UHFFFAOYSA-N 1 0 267.285 1.024 20 5 CDBDRO O=C1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000602586451 344477269 /nfs/dbraw/zinc/47/72/69/344477269.db2.gz BWLKAMSHUQHQKZ-LBPRGKRZSA-N 1 0 289.335 1.490 20 5 CDBDRO Cc1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)sn1 ZINC000602568007 344483795 /nfs/dbraw/zinc/48/37/95/344483795.db2.gz HSNQOWHHMQJKIS-UHFFFAOYSA-N 1 0 267.314 1.346 20 5 CDBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1c([N+](=O)[O-])ncn1C ZINC000265224803 362450618 /nfs/dbraw/zinc/45/06/18/362450618.db2.gz PGEYBWXUZNRBJA-JTQLQIEISA-N 1 0 267.333 1.106 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000602831147 344614232 /nfs/dbraw/zinc/61/42/32/344614232.db2.gz HCXTZZZFQRAYGP-PHIMTYICSA-N 1 0 281.360 1.124 20 5 CDBDRO CCOCC(C)(C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602832565 344614714 /nfs/dbraw/zinc/61/47/14/344614714.db2.gz QCMFUWFWGPLHSW-UHFFFAOYSA-N 1 0 270.333 1.504 20 5 CDBDRO CN1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602905305 344656117 /nfs/dbraw/zinc/65/61/17/344656117.db2.gz MEOVDZUJSLCGDY-LBPRGKRZSA-N 1 0 299.758 1.357 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](C)[C@H]1CO ZINC000602990533 344681586 /nfs/dbraw/zinc/68/15/86/344681586.db2.gz XPJIGGLQRVSBGP-ZYHUDNBSSA-N 1 0 282.344 1.193 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000602836737 344618880 /nfs/dbraw/zinc/61/88/80/344618880.db2.gz HLLWKKAVGGITRY-LBPRGKRZSA-N 1 0 290.327 1.243 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](O)CC2)c1 ZINC000293029488 362526280 /nfs/dbraw/zinc/52/62/80/362526280.db2.gz GDSQWIVEERXHHT-ZDUSSCGKSA-N 1 0 280.324 1.820 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000129025091 345253868 /nfs/dbraw/zinc/25/38/68/345253868.db2.gz YHSBKPLVYNHXSQ-SKDRFNHKSA-N 1 0 292.339 1.005 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000129265455 345281463 /nfs/dbraw/zinc/28/14/63/345281463.db2.gz VILSWXZNJNMQNC-BDAKNGLRSA-N 1 0 281.287 1.686 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000216281018 345291085 /nfs/dbraw/zinc/29/10/85/345291085.db2.gz OMQQBIBWWBKJIQ-APPZFPTMSA-N 1 0 267.310 1.090 20 5 CDBDRO CC(C)[N@H+](C)CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000052875606 345307182 /nfs/dbraw/zinc/30/71/82/345307182.db2.gz VYKFNJLKAIMNMS-UHFFFAOYSA-N 1 0 294.355 1.463 20 5 CDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000127460143 187307453 /nfs/dbraw/zinc/30/74/53/187307453.db2.gz HKLSYUKILYHDES-ZDUSSCGKSA-N 1 0 283.303 1.837 20 5 CDBDRO Cc1nn(C)c(N2CCC[N@@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000609560637 345807732 /nfs/dbraw/zinc/80/77/32/345807732.db2.gz AVKVMXIVFSZYIM-UHFFFAOYSA-N 1 0 295.387 1.947 20 5 CDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000609876902 346030128 /nfs/dbraw/zinc/03/01/28/346030128.db2.gz IABXGYVXRNVBKL-JTQLQIEISA-N 1 0 280.328 1.527 20 5 CDBDRO CCn1ncnc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000088590073 346071793 /nfs/dbraw/zinc/07/17/93/346071793.db2.gz TWNOTWDPQDIYOW-UHFFFAOYSA-N 1 0 275.312 1.539 20 5 CDBDRO C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000611259091 346723480 /nfs/dbraw/zinc/72/34/80/346723480.db2.gz LRFDASNKTYLFFO-FZMZJTMJSA-N 1 0 280.324 1.676 20 5 CDBDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000067413387 347553822 /nfs/dbraw/zinc/55/38/22/347553822.db2.gz SMWQSTUIJDMPNO-CQSZACIVSA-N 1 0 291.351 1.943 20 5 CDBDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000152896957 347630129 /nfs/dbraw/zinc/63/01/29/347630129.db2.gz YZWZMAZSTLQRSP-GFCCVEGCSA-N 1 0 263.297 1.305 20 5 CDBDRO CC[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000122514616 347652177 /nfs/dbraw/zinc/65/21/77/347652177.db2.gz FTQQGZMYVOFILI-GXTWGEPZSA-N 1 0 291.351 1.723 20 5 CDBDRO C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])o2)CCC[NH2+]C1 ZINC000128980932 187403049 /nfs/dbraw/zinc/40/30/49/187403049.db2.gz ISAMOASMLNWBFR-GFCCVEGCSA-N 1 0 267.285 1.307 20 5 CDBDRO COCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000066380201 348983020 /nfs/dbraw/zinc/98/30/20/348983020.db2.gz FEPOQQITQTVJRP-NSHDSACASA-N 1 0 295.339 1.890 20 5 CDBDRO COC[C@H](O)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090949679 180071986 /nfs/dbraw/zinc/07/19/86/180071986.db2.gz UDQSBWWDMZQRRT-WCQYABFASA-N 1 0 282.340 1.951 20 5 CDBDRO O=C(NCC[C@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000110791362 186323955 /nfs/dbraw/zinc/32/39/55/186323955.db2.gz FLKCPCSLBTYBKM-SECBINFHSA-N 1 0 266.301 1.042 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111010430 186343502 /nfs/dbraw/zinc/34/35/02/186343502.db2.gz LGXCPRAXJCXTBY-QMMMGPOBSA-N 1 0 283.715 1.730 20 5 CDBDRO CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CCC[NH2+]CC1 ZINC000231487020 140216488 /nfs/dbraw/zinc/21/64/88/140216488.db2.gz IFLOELLYMOTPLK-VIFPVBQESA-N 1 0 266.301 1.137 20 5 CDBDRO CC[N@H+](C)CCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000122847338 187055207 /nfs/dbraw/zinc/05/52/07/187055207.db2.gz WZJMSNURFCEWBP-UHFFFAOYSA-N 1 0 279.340 1.514 20 5 CDBDRO C[C@H]1C[C@@H](O)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000292118973 198170338 /nfs/dbraw/zinc/17/03/38/198170338.db2.gz AHRYTBZSTFZVQL-FZMZJTMJSA-N 1 0 264.325 1.983 20 5 CDBDRO COCCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000152432880 188018682 /nfs/dbraw/zinc/01/86/82/188018682.db2.gz WVFDGFQKOHSNHR-UHFFFAOYSA-N 1 0 295.339 1.293 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158638007 188386298 /nfs/dbraw/zinc/38/62/98/188386298.db2.gz OYGFTARSHLZFFX-AWEZNQCLSA-N 1 0 275.308 1.420 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000295246656 199422396 /nfs/dbraw/zinc/42/23/96/199422396.db2.gz PTDWWGPTTXCCCG-VIFPVBQESA-N 1 0 299.302 1.356 20 5 CDBDRO CC[N@@H+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000286406424 356292109 /nfs/dbraw/zinc/29/21/09/356292109.db2.gz PYTORMJZGHIABJ-LLVKDONJSA-N 1 0 264.329 1.829 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC(C)(C)C[NH+](C)C ZINC000308657845 356328213 /nfs/dbraw/zinc/32/82/13/356328213.db2.gz KDRJPPBFMCYRKY-UHFFFAOYSA-N 1 0 269.349 1.872 20 5 CDBDRO COC(=O)c1cccc(OCC2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000578646771 356768475 /nfs/dbraw/zinc/76/84/75/356768475.db2.gz LIJROPJQBDTNJP-UHFFFAOYSA-N 1 0 294.307 1.760 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000046091223 357135371 /nfs/dbraw/zinc/13/53/71/357135371.db2.gz PVZKJUANDIGKLV-UHFFFAOYSA-N 1 0 250.298 1.799 20 5 CDBDRO Cn1cncc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000388408656 357167735 /nfs/dbraw/zinc/16/77/35/357167735.db2.gz VNTMPRBGBYDZAC-UHFFFAOYSA-N 1 0 276.296 1.497 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000261979238 357349069 /nfs/dbraw/zinc/34/90/69/357349069.db2.gz LZCNFNWMGSNXBU-AWEZNQCLSA-N 1 0 293.323 1.171 20 5 CDBDRO C[C@]1(C[NH3+])CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000261979242 357349360 /nfs/dbraw/zinc/34/93/60/357349360.db2.gz LZCNFNWMGSNXBU-CQSZACIVSA-N 1 0 293.323 1.171 20 5 CDBDRO CCOc1ccc(C(=O)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000120228529 357361434 /nfs/dbraw/zinc/36/14/34/357361434.db2.gz FHOCBWHLMQYHJX-LLVKDONJSA-N 1 0 293.323 1.475 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@](C)(C[NH3+])C2)c1 ZINC000262134928 357432002 /nfs/dbraw/zinc/43/20/02/357432002.db2.gz WUJHKXGITCXEKM-CQSZACIVSA-N 1 0 293.323 1.414 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000186750394 357684330 /nfs/dbraw/zinc/68/43/30/357684330.db2.gz ITYFZROEGWXQHQ-UHFFFAOYSA-N 1 0 283.353 1.823 20 5 CDBDRO CC[NH2+]CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000135224425 357798535 /nfs/dbraw/zinc/79/85/35/357798535.db2.gz CIJZBHNUPKSPPD-UHFFFAOYSA-N 1 0 251.286 1.243 20 5 CDBDRO COCC[N@@H+]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000264668575 357926797 /nfs/dbraw/zinc/92/67/97/357926797.db2.gz ZZBNXWBDAWTYHV-SNVBAGLBSA-N 1 0 266.301 1.122 20 5 CDBDRO C[C@H](O)C[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000189343733 357999256 /nfs/dbraw/zinc/99/92/56/357999256.db2.gz LSIIALCFHRDRMW-LBPRGKRZSA-N 1 0 279.340 1.093 20 5 CDBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCC1 ZINC000361480636 358230374 /nfs/dbraw/zinc/23/03/74/358230374.db2.gz DHCYIZKKRLYRQW-CYBMUJFWSA-N 1 0 282.344 1.274 20 5 CDBDRO COc1ccc(C(=O)NC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000133118627 358601206 /nfs/dbraw/zinc/60/12/06/358601206.db2.gz RFZXVDJFMDJJOM-JTQLQIEISA-N 1 0 279.296 1.071 20 5 CDBDRO COCC(COC)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567486883 358687899 /nfs/dbraw/zinc/68/78/99/358687899.db2.gz XGDRZFKDLITJAR-ZDUSSCGKSA-N 1 0 280.324 1.833 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1OC[C@@H](O)C[N@H+](C)C1CC1 ZINC000290871250 358691520 /nfs/dbraw/zinc/69/15/20/358691520.db2.gz ZSJBOULGATTXCJ-LBPRGKRZSA-N 1 0 296.323 1.437 20 5 CDBDRO Nc1c([N+](=O)[O-])cnn1C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000567673857 358719015 /nfs/dbraw/zinc/71/90/15/358719015.db2.gz OTKBAJDXPWSFDI-KYZUINATSA-N 1 0 253.306 1.139 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000567837335 358739859 /nfs/dbraw/zinc/73/98/59/358739859.db2.gz YNICYZZEGZCDSL-SECBINFHSA-N 1 0 280.328 1.364 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000186717112 358817086 /nfs/dbraw/zinc/81/70/86/358817086.db2.gz RHSATQPWBBIGRA-GZMMTYOYSA-N 1 0 297.742 1.976 20 5 CDBDRO COc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000186729860 358818574 /nfs/dbraw/zinc/81/85/74/358818574.db2.gz LRZNOWXDZMKTJY-MWLCHTKSSA-N 1 0 293.323 1.331 20 5 CDBDRO CC(C)[C@H](CO)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000342233381 358970730 /nfs/dbraw/zinc/97/07/30/358970730.db2.gz SJZNIPZCBMAPLF-LBPRGKRZSA-N 1 0 252.314 1.949 20 5 CDBDRO [NH3+]C1(CNC(=O)CCOc2ccccc2[N+](=O)[O-])CCC1 ZINC000342609797 359138007 /nfs/dbraw/zinc/13/80/07/359138007.db2.gz SWLVHVRUNJAWRR-UHFFFAOYSA-N 1 0 293.323 1.361 20 5 CDBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000569689976 359254039 /nfs/dbraw/zinc/25/40/39/359254039.db2.gz CIXNNEIAUIYTHI-OLZOCXBDSA-N 1 0 277.324 1.599 20 5 CDBDRO C[C@H](Nc1ncc([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]C1 ZINC000050164216 359352579 /nfs/dbraw/zinc/35/25/79/359352579.db2.gz UUQORQOIXPVYFT-IUCAKERBSA-N 1 0 251.290 1.185 20 5 CDBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H](C)CO ZINC000339626518 359419935 /nfs/dbraw/zinc/41/99/35/359419935.db2.gz JNFVDORAWNEMNP-SNVBAGLBSA-N 1 0 268.313 1.806 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1N[C@@H](CO)C[NH+]1CCCCC1 ZINC000288826598 359403326 /nfs/dbraw/zinc/40/33/26/359403326.db2.gz BESDKRIHIAQIKE-GFCCVEGCSA-N 1 0 297.330 1.993 20 5 CDBDRO CCC[C@](C)([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015970 359561014 /nfs/dbraw/zinc/56/10/14/359561014.db2.gz FYDVHLRRAVMMFP-ZDUSSCGKSA-N 1 0 265.313 1.729 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCCCC[NH3+] ZINC000571443329 359573900 /nfs/dbraw/zinc/57/39/00/359573900.db2.gz CDLKBNDVGZZNJV-UHFFFAOYSA-N 1 0 281.312 1.462 20 5 CDBDRO [NH3+]C[C@H]1CCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000131985232 283511001 /nfs/dbraw/zinc/51/10/01/283511001.db2.gz LEVOTIBITOTJTA-MRVPVSSYSA-N 1 0 256.693 1.571 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CO)C1 ZINC000051887728 359949081 /nfs/dbraw/zinc/94/90/81/359949081.db2.gz FQWIJFHOOIHCCF-JTQLQIEISA-N 1 0 266.297 1.418 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000130398787 360035568 /nfs/dbraw/zinc/03/55/68/360035568.db2.gz JUDZCUHUJPDBNK-QMMMGPOBSA-N 1 0 255.274 1.435 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000235392172 360082550 /nfs/dbraw/zinc/08/25/50/360082550.db2.gz XHHRQNJNQLEKMI-PWSUYJOCSA-N 1 0 277.324 1.774 20 5 CDBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000176375286 360254871 /nfs/dbraw/zinc/25/48/71/360254871.db2.gz WEANZEWFKXWZPX-JTQLQIEISA-N 1 0 295.339 1.417 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000147906884 360500582 /nfs/dbraw/zinc/50/05/82/360500582.db2.gz BSLXKXIDNYVENY-VIFPVBQESA-N 1 0 283.715 1.682 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000043571153 283566135 /nfs/dbraw/zinc/56/61/35/283566135.db2.gz JFGJRQXVXOMONQ-MRVPVSSYSA-N 1 0 267.260 1.297 20 5 CDBDRO CC[NH+](CC)CCCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298872120 200553615 /nfs/dbraw/zinc/55/36/15/200553615.db2.gz WEIOSJNGZSHPFD-UHFFFAOYSA-N 1 0 268.317 1.385 20 5 CDBDRO CC1(O)CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178866847 189151357 /nfs/dbraw/zinc/15/13/57/189151357.db2.gz JRURXLBGFYVTMW-CYBMUJFWSA-N 1 0 280.324 1.475 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418228611 283584596 /nfs/dbraw/zinc/58/45/96/283584596.db2.gz FCRWAIJHBSURKV-QWRGUYRKSA-N 1 0 294.355 1.811 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000289734747 360803894 /nfs/dbraw/zinc/80/38/94/360803894.db2.gz VNDDMBDHJCOQLJ-NWDGAFQWSA-N 1 0 263.297 1.921 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000053202357 361204515 /nfs/dbraw/zinc/20/45/15/361204515.db2.gz AOYWATCZDGTRSQ-GFCCVEGCSA-N 1 0 277.324 1.348 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000053202155 361204151 /nfs/dbraw/zinc/20/41/51/361204151.db2.gz ZJZRNORNTDVDSO-LBPRGKRZSA-N 1 0 277.324 1.727 20 5 CDBDRO C[NH+](C)CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000035099599 361240685 /nfs/dbraw/zinc/24/06/85/361240685.db2.gz YTGGVCAFHJHHAJ-UHFFFAOYSA-N 1 0 255.303 1.278 20 5 CDBDRO Cc1c(C(=O)NC[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000053253323 361402816 /nfs/dbraw/zinc/40/28/16/361402816.db2.gz XGMIBRIHBFAIDR-SNVBAGLBSA-N 1 0 263.297 1.385 20 5 CDBDRO Cc1ccc(C(=O)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000053253146 361403208 /nfs/dbraw/zinc/40/32/08/361403208.db2.gz VRNCZDXGZCFLBL-LLVKDONJSA-N 1 0 263.297 1.385 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](C(C)C)CC1 ZINC000264497080 363952098 /nfs/dbraw/zinc/95/20/98/363952098.db2.gz UTLZDSNDWIMYNY-UHFFFAOYSA-N 1 0 264.329 1.829 20 5 CDBDRO CCC[N@H+](C)CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000063755921 363961855 /nfs/dbraw/zinc/96/18/55/363961855.db2.gz HIDBBYSANCAWKE-UHFFFAOYSA-N 1 0 265.313 1.553 20 5 CDBDRO C[C@H]([NH2+]CC[C@@H]1CCNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000581141043 363970893 /nfs/dbraw/zinc/97/08/93/363970893.db2.gz UITXRFPMJVNOLY-CMPLNLGQSA-N 1 0 277.324 1.772 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000168212395 364118047 /nfs/dbraw/zinc/11/80/47/364118047.db2.gz LJKLIDKQMPGHNV-XTZNXHDOSA-N 1 0 270.354 1.760 20 5 CDBDRO CC(C)(C)[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000545483777 364257523 /nfs/dbraw/zinc/25/75/23/364257523.db2.gz PAOZFFJLMGWVOQ-UHFFFAOYSA-N 1 0 279.344 1.695 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000268178025 364393343 /nfs/dbraw/zinc/39/33/43/364393343.db2.gz SAYZXCVHJIPVTD-BXKDBHETSA-N 1 0 262.313 1.884 20 5 CDBDRO CC[NH+](CC)[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174880357 364588220 /nfs/dbraw/zinc/58/82/20/364588220.db2.gz DAUXOJKBUMOOKZ-GFCCVEGCSA-N 1 0 281.360 1.207 20 5 CDBDRO C[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000111749236 364962453 /nfs/dbraw/zinc/96/24/53/364962453.db2.gz HTGHYYKMBRRLSQ-YUMQZZPRSA-N 1 0 269.326 1.479 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000459697205 366932041 /nfs/dbraw/zinc/93/20/41/366932041.db2.gz YIYHTFIFBJFKGK-COPLHBTASA-N 1 0 280.324 1.249 20 5 CDBDRO COC[C@@H]1C[C@H](O)C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414496339 241231895 /nfs/dbraw/zinc/23/18/95/241231895.db2.gz YPGCNCQWNMGHQT-HHAVJRIZSA-N 1 0 292.335 1.690 20 5 CDBDRO COc1cc(N(C)CC[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000271076263 366962953 /nfs/dbraw/zinc/96/29/53/366962953.db2.gz HAGBIPDVIVZKGQ-UHFFFAOYSA-N 1 0 271.292 1.740 20 5 CDBDRO CN(CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000089936199 366969138 /nfs/dbraw/zinc/96/91/38/366969138.db2.gz PADMGNJVCPYSAI-GFCCVEGCSA-N 1 0 295.364 1.971 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000414651736 241301293 /nfs/dbraw/zinc/30/12/93/241301293.db2.gz GCJMAGUQQZRPPA-SECBINFHSA-N 1 0 294.311 1.477 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000414656610 241303803 /nfs/dbraw/zinc/30/38/03/241303803.db2.gz IVYCGAWQFONKCI-SNVBAGLBSA-N 1 0 278.312 1.777 20 5 CDBDRO Cc1ccc(NC(=O)N[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414665248 241309469 /nfs/dbraw/zinc/30/94/69/241309469.db2.gz UYZIESNLOOFGHN-SNVBAGLBSA-N 1 0 264.285 1.387 20 5 CDBDRO Cc1ccc(NC(=O)NC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414669275 241312097 /nfs/dbraw/zinc/31/20/97/241312097.db2.gz ZOHFZTYJOPDLJU-LLVKDONJSA-N 1 0 278.312 1.762 20 5 CDBDRO CCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000348376252 367232459 /nfs/dbraw/zinc/23/24/59/367232459.db2.gz QNTNXOCBWMFZAH-UHFFFAOYSA-N 1 0 266.345 1.864 20 5 CDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[NH2+]C1 ZINC000417225324 242367046 /nfs/dbraw/zinc/36/70/46/242367046.db2.gz JGGQUYQPHQHCED-LBPRGKRZSA-N 1 0 292.339 1.189 20 5 CDBDRO [NH3+]C1(CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001580150555 1172362221 /nfs/dbraw/zinc/36/22/21/1172362221.db2.gz XYJPFYNHLWWAMA-UHFFFAOYSA-N 1 0 268.248 1.347 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418609340 243272450 /nfs/dbraw/zinc/27/24/50/243272450.db2.gz FHUSFPLMIKCWGS-JTQLQIEISA-N 1 0 292.339 1.270 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOC[C@H](C3CCC3)C2)n1 ZINC000367823354 370922780 /nfs/dbraw/zinc/92/27/80/370922780.db2.gz OJKLGUINRBKZLV-CYBMUJFWSA-N 1 0 294.355 1.540 20 5 CDBDRO Cc1nc(N[C@H]2CCC[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000420201406 243923763 /nfs/dbraw/zinc/92/37/63/243923763.db2.gz ONUGYHJYJYQGTM-IUCAKERBSA-N 1 0 251.290 1.233 20 5 CDBDRO CC(=O)c1cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000420269734 244001966 /nfs/dbraw/zinc/00/19/66/244001966.db2.gz YFESOPAQYUWLLP-NWDGAFQWSA-N 1 0 289.335 1.843 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH2+][C@H](C)C1 ZINC000420340188 244111851 /nfs/dbraw/zinc/11/18/51/244111851.db2.gz SCHLIXAPAWQFKX-LLVKDONJSA-N 1 0 292.339 1.135 20 5 CDBDRO C[NH2+]CCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420342416 244115112 /nfs/dbraw/zinc/11/51/12/244115112.db2.gz WYUFLZLSJVVLHL-UHFFFAOYSA-N 1 0 280.328 1.075 20 5 CDBDRO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000420387368 244186906 /nfs/dbraw/zinc/18/69/06/244186906.db2.gz WAXRSXCSKGCPQB-ZWNOBZJWSA-N 1 0 265.313 1.253 20 5 CDBDRO Cc1ccc([C@@H](C)NC[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000330870407 203334051 /nfs/dbraw/zinc/33/40/51/203334051.db2.gz FTDDNISZJAMOJE-IUODEOHRSA-N 1 0 293.367 1.620 20 5 CDBDRO COc1cc(CN[C@H](C)CC[NH3+])c([N+](=O)[O-])cc1OC ZINC000414876324 370965003 /nfs/dbraw/zinc/96/50/03/370965003.db2.gz DDNMZCBBKOTWDZ-SECBINFHSA-N 1 0 283.328 1.439 20 5 CDBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000276530509 193369167 /nfs/dbraw/zinc/36/91/67/193369167.db2.gz NLKHPGASXMFDHG-UHFFFAOYSA-N 1 0 292.339 1.345 20 5 CDBDRO COC(=O)c1cnc(NC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000276563827 193382330 /nfs/dbraw/zinc/38/23/30/193382330.db2.gz MBUYENBFOKEKKN-UHFFFAOYSA-N 1 0 294.311 1.283 20 5 CDBDRO CC1(NC(=O)COc2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000193379892 370010493 /nfs/dbraw/zinc/01/04/93/370010493.db2.gz DHPCLYUYTRUJHQ-UHFFFAOYSA-N 1 0 293.323 1.232 20 5 CDBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCCCO)CC2)c1 ZINC000170871408 369984708 /nfs/dbraw/zinc/98/47/08/369984708.db2.gz JMQQDZSFTGBNAZ-UHFFFAOYSA-N 1 0 279.340 1.489 20 5 CDBDRO CCC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000331257682 203662585 /nfs/dbraw/zinc/66/25/85/203662585.db2.gz YHDXDPNDKFZPRP-ZDUSSCGKSA-N 1 0 282.344 1.274 20 5 CDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000266180416 370544572 /nfs/dbraw/zinc/54/45/72/370544572.db2.gz SFWGERRDCCQJTM-NSHDSACASA-N 1 0 294.355 1.869 20 5 CDBDRO C[NH+](C)CCCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000299494991 370549543 /nfs/dbraw/zinc/54/95/43/370549543.db2.gz JFTAMVQQGHDKIU-UHFFFAOYSA-N 1 0 271.342 1.728 20 5 CDBDRO COc1ccc(CN[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414920659 371097341 /nfs/dbraw/zinc/09/73/41/371097341.db2.gz YIUCSPWBXKDUMZ-GFCCVEGCSA-N 1 0 279.340 1.835 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC(C)(C)C[NH3+] ZINC000422790489 245260858 /nfs/dbraw/zinc/26/08/58/245260858.db2.gz CCIBAVMXIBNTSI-UHFFFAOYSA-N 1 0 265.313 1.679 20 5 CDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368202103 371908128 /nfs/dbraw/zinc/90/81/28/371908128.db2.gz ODVZEHSZKVPIHS-NDYVEPOPSA-N 1 0 293.298 1.424 20 5 CDBDRO CCn1ccnc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000577918740 372165871 /nfs/dbraw/zinc/16/58/71/372165871.db2.gz CRLOYLIMJJZNRL-UHFFFAOYSA-N 1 0 289.339 1.777 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000133878251 372986415 /nfs/dbraw/zinc/98/64/15/372986415.db2.gz YGSZRUPRWXEOIH-NSHDSACASA-N 1 0 292.339 1.217 20 5 CDBDRO CC(C)[NH+](CCNC(=O)Cn1ccc([N+](=O)[O-])n1)C(C)C ZINC000126722856 541891663 /nfs/dbraw/zinc/89/16/63/541891663.db2.gz INGSVUDWGDWYPS-UHFFFAOYSA-N 1 0 297.359 1.026 20 5 CDBDRO CC[C@@H](C)C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266534676 373959656 /nfs/dbraw/zinc/95/96/56/373959656.db2.gz NRYAYJNGYCDQOD-ZYHUDNBSSA-N 1 0 270.333 1.130 20 5 CDBDRO Cc1nc(NCC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000161535455 374179811 /nfs/dbraw/zinc/17/98/11/374179811.db2.gz IGXFYKRKRLHPGB-UHFFFAOYSA-N 1 0 250.302 1.804 20 5 CDBDRO COc1cc(CN2CC[C@@H](C)[C@@H]2CO)c([N+](=O)[O-])cc1F ZINC000248934096 374234948 /nfs/dbraw/zinc/23/49/48/374234948.db2.gz MXCLTTMCVJPHPG-RNCFNFMXSA-N 1 0 298.314 1.945 20 5 CDBDRO C[C@@]1(F)C[NH2+]CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000420331309 374294371 /nfs/dbraw/zinc/29/43/71/374294371.db2.gz MFCNHPWUJGLFFE-CYBMUJFWSA-N 1 0 285.294 1.867 20 5 CDBDRO CC(=O)N[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000420958848 374308887 /nfs/dbraw/zinc/30/88/87/374308887.db2.gz POJHGOBDLDCDDP-LLVKDONJSA-N 1 0 279.296 1.011 20 5 CDBDRO NC(=O)C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000368578862 374317367 /nfs/dbraw/zinc/31/73/67/374317367.db2.gz QSYMMHAGFFPEPC-VIFPVBQESA-N 1 0 297.742 1.946 20 5 CDBDRO CC[C@@H](O)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000421861451 374338840 /nfs/dbraw/zinc/33/88/40/374338840.db2.gz UGQGLWNVKTUMAQ-ZWNOBZJWSA-N 1 0 295.339 1.672 20 5 CDBDRO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000368974809 374340339 /nfs/dbraw/zinc/34/03/39/374340339.db2.gz QULNLBGVQIYQER-XBFCOCLRSA-N 1 0 289.335 1.681 20 5 CDBDRO CC[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000423445111 374381041 /nfs/dbraw/zinc/38/10/41/374381041.db2.gz XKVPKAODGHLTQX-RQJABVFESA-N 1 0 261.325 1.853 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000080391889 374464962 /nfs/dbraw/zinc/46/49/62/374464962.db2.gz QQXQJVZHOFUDFD-UHFFFAOYSA-N 1 0 294.355 1.417 20 5 CDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1c([N+](=O)[O-])ncn1C ZINC000375754300 374511338 /nfs/dbraw/zinc/51/13/38/374511338.db2.gz NRVIMSBYRCXXFV-NEPJUHHUSA-N 1 0 293.371 1.387 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000424032372 246299373 /nfs/dbraw/zinc/29/93/73/246299373.db2.gz KRWJFJIWZHXYPD-UHFFFAOYSA-N 1 0 294.355 1.465 20 5 CDBDRO Cc1ccc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000377846530 374620951 /nfs/dbraw/zinc/62/09/51/374620951.db2.gz CRIJUXKKPQVIJP-LBPRGKRZSA-N 1 0 277.324 1.601 20 5 CDBDRO [NH3+]CC[C@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000070148878 374650850 /nfs/dbraw/zinc/65/08/50/374650850.db2.gz NJSZBTYCJJRLPA-CYBMUJFWSA-N 1 0 291.351 1.867 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000070172536 374654264 /nfs/dbraw/zinc/65/42/64/374654264.db2.gz WAIGWQVNUIVJHC-NXEZZACHSA-N 1 0 295.314 1.933 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000070172318 374654297 /nfs/dbraw/zinc/65/42/97/374654297.db2.gz CPLSGFVIHAOLNR-BDAKNGLRSA-N 1 0 283.353 1.856 20 5 CDBDRO Cc1ccc(C(=O)NC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000070446813 374662653 /nfs/dbraw/zinc/66/26/53/374662653.db2.gz QHKPAVPRAQQXBS-NSHDSACASA-N 1 0 265.313 1.616 20 5 CDBDRO O=[N+]([O-])c1cc(CNC[C@H]2CCC[N@H+]2CCCO)cs1 ZINC000449390293 374806023 /nfs/dbraw/zinc/80/60/23/374806023.db2.gz VTWMULBREPOHHK-GFCCVEGCSA-N 1 0 299.396 1.593 20 5 CDBDRO C[C@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])cn2)CCCO1 ZINC000277393076 374786570 /nfs/dbraw/zinc/78/65/70/374786570.db2.gz GLTPHEREIXOSBO-LBPRGKRZSA-N 1 0 294.355 1.903 20 5 CDBDRO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000330582629 374867959 /nfs/dbraw/zinc/86/79/59/374867959.db2.gz KAZKGVDRCMWGIR-OLZOCXBDSA-N 1 0 293.367 1.998 20 5 CDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)C(C)(C)C[NH+](C)C ZINC000331091133 374887911 /nfs/dbraw/zinc/88/79/11/374887911.db2.gz WEKZVQKHBJUOKU-JTQLQIEISA-N 1 0 296.371 1.639 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)COCC2CC2)cc1 ZINC000037894564 374967360 /nfs/dbraw/zinc/96/73/60/374967360.db2.gz UMOUFTFYHQLSST-AWEZNQCLSA-N 1 0 280.324 1.472 20 5 CDBDRO C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000280200397 374986406 /nfs/dbraw/zinc/98/64/06/374986406.db2.gz BKHZFDLLGLVOAX-FPMFFAJLSA-N 1 0 294.351 1.890 20 5 CDBDRO Cc1c(C[N@@H+](C)C2CC(O)C2)cccc1[N+](=O)[O-] ZINC000332441292 375032393 /nfs/dbraw/zinc/03/23/93/375032393.db2.gz JYRZZRMAMCNZHO-UHFFFAOYSA-N 1 0 250.298 1.858 20 5 CDBDRO C[S@](=O)C1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000282453802 375085505 /nfs/dbraw/zinc/08/55/05/375085505.db2.gz SQBWWINOZAOTQR-KRWDZBQOSA-N 1 0 274.367 1.657 20 5 CDBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332734256 375047479 /nfs/dbraw/zinc/04/74/79/375047479.db2.gz VINHTWZBDZEXJY-LBPRGKRZSA-N 1 0 268.317 1.065 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000170977803 375146399 /nfs/dbraw/zinc/14/63/99/375146399.db2.gz FFENUJDIARGOHP-SECBINFHSA-N 1 0 283.353 1.728 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000131818691 375353390 /nfs/dbraw/zinc/35/33/90/375353390.db2.gz AMTCWRPAGRLMOL-DTWKUNHWSA-N 1 0 281.287 1.543 20 5 CDBDRO Cc1cc(C(=O)NCC(C)(C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000049157372 375413507 /nfs/dbraw/zinc/41/35/07/375413507.db2.gz KWNIKXMXQAZIHN-UHFFFAOYSA-N 1 0 279.340 1.973 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493447676 375454194 /nfs/dbraw/zinc/45/41/94/375454194.db2.gz GUPYICHPUFXKEJ-BXKUYDPTSA-N 1 0 295.314 1.991 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](CO)C2CCCC2)c1 ZINC000289482515 197368346 /nfs/dbraw/zinc/36/83/46/197368346.db2.gz IYCFTYFMWCLOAY-LSDHHAIUSA-N 1 0 294.351 1.769 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000344830138 375550588 /nfs/dbraw/zinc/55/05/88/375550588.db2.gz RBGYOILXVFERHE-ASJRZHAZSA-N 1 0 289.335 1.818 20 5 CDBDRO CC[N@H+](CCNc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000227549859 375557576 /nfs/dbraw/zinc/55/75/76/375557576.db2.gz VDZVNLYSOWCNFB-UHFFFAOYSA-N 1 0 253.306 1.225 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](CO)C1CC1 ZINC000353071408 375574272 /nfs/dbraw/zinc/57/42/72/375574272.db2.gz JMCBYUBSFQNKCG-GFCCVEGCSA-N 1 0 250.298 1.703 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C1CC[NH+](CCO)CC1 ZINC000353367553 375600674 /nfs/dbraw/zinc/60/06/74/375600674.db2.gz ZYOLDIUVQKVHCS-UHFFFAOYSA-N 1 0 293.367 1.483 20 5 CDBDRO O=C(N[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000058233228 375699015 /nfs/dbraw/zinc/69/90/15/375699015.db2.gz GHLFOQFBOVZUOH-ZETCQYMHSA-N 1 0 269.688 1.340 20 5 CDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000058927057 375841253 /nfs/dbraw/zinc/84/12/53/375841253.db2.gz UCDRTJMBBBOVFD-SECBINFHSA-N 1 0 267.285 1.259 20 5 CDBDRO CC(C)C[NH+]1CCC(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000134305892 375951961 /nfs/dbraw/zinc/95/19/61/375951961.db2.gz WEDPFXGBTIYTQV-UHFFFAOYSA-N 1 0 295.343 1.168 20 5 CDBDRO C[C@@]1(F)CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000347383175 376062562 /nfs/dbraw/zinc/06/25/62/376062562.db2.gz OFKAHZDIHSHNLG-TZMCWYRMSA-N 1 0 298.314 1.768 20 5 CDBDRO C[C@]1(F)CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000347383174 376063108 /nfs/dbraw/zinc/06/31/08/376063108.db2.gz OFKAHZDIHSHNLG-OCCSQVGLSA-N 1 0 298.314 1.768 20 5 CDBDRO Cc1nc(NCC2([NH+](C)C)CCCC2)ncc1[N+](=O)[O-] ZINC000296450757 376155326 /nfs/dbraw/zinc/15/53/26/376155326.db2.gz IQJWXQHDZAYIDE-UHFFFAOYSA-N 1 0 279.344 1.980 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@@H]2CCCC(=O)N2)cc1[N+](=O)[O-] ZINC000433179323 248002220 /nfs/dbraw/zinc/00/22/20/248002220.db2.gz HMSDETPSMCDFAZ-LBPRGKRZSA-N 1 0 277.324 1.662 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435236589 248159614 /nfs/dbraw/zinc/15/96/14/248159614.db2.gz JVOGZLDVDSWWEQ-VIFPVBQESA-N 1 0 265.269 1.154 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173449372 378414584 /nfs/dbraw/zinc/41/45/84/378414584.db2.gz SVRKNOCGZUQJKQ-GFCCVEGCSA-N 1 0 293.367 1.984 20 5 CDBDRO COCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447519474 250379835 /nfs/dbraw/zinc/37/98/35/250379835.db2.gz QNJACKVRTLWQIA-QWRGUYRKSA-N 1 0 268.317 1.511 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000449567807 250906505 /nfs/dbraw/zinc/90/65/05/250906505.db2.gz VZUYHKCCOKMWMW-ZETCQYMHSA-N 1 0 284.291 1.173 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000449591233 250921702 /nfs/dbraw/zinc/92/17/02/250921702.db2.gz MEGOSOXSIOLTHJ-SFYZADRCSA-N 1 0 283.353 1.782 20 5 CDBDRO O=[N+]([O-])c1cccnc1NC[C@@H]1CCC[N@H+]1CCCO ZINC000450592900 251355587 /nfs/dbraw/zinc/35/55/87/251355587.db2.gz HXLWTJVSZXKPEZ-NSHDSACASA-N 1 0 280.328 1.249 20 5 CDBDRO CC(C)[C@@](C)([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000289383000 197320944 /nfs/dbraw/zinc/32/09/44/197320944.db2.gz QFYMZVASYFDWAQ-CQSZACIVSA-N 1 0 295.339 1.463 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493103408 253371357 /nfs/dbraw/zinc/37/13/57/253371357.db2.gz HELLXKBMCWHREA-WDDYJBPVSA-N 1 0 277.324 1.674 20 5 CDBDRO O=[N+]([O-])c1cccc(Cl)c1N1CCC([NH2+]CCO)CC1 ZINC000293108365 285154671 /nfs/dbraw/zinc/15/46/71/285154671.db2.gz PMXNPMFKSOUVSJ-UHFFFAOYSA-N 1 0 299.758 1.799 20 5 CDBDRO CCCC[N@H+](C)C[C@H](C)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000288681147 197144378 /nfs/dbraw/zinc/14/43/78/197144378.db2.gz ASBFOBFXMNOJCM-VIFPVBQESA-N 1 0 282.348 1.499 20 5 CDBDRO CC[N@@H+]1CC[C@@H](N(C)c2c([N+](=O)[O-])ncn2C)C[C@@H]1C ZINC000354354678 285371229 /nfs/dbraw/zinc/37/12/29/285371229.db2.gz VJCWINZSZZDHMN-WDEREUQCSA-N 1 0 281.360 1.637 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000150239321 390470772 /nfs/dbraw/zinc/47/07/72/390470772.db2.gz PZTJGYGTVWNAFM-LBPRGKRZSA-N 1 0 279.340 1.771 20 5 CDBDRO CC(C)CO[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000119746703 390547707 /nfs/dbraw/zinc/54/77/07/390547707.db2.gz XZFUKHGLQIRUCP-CYBMUJFWSA-N 1 0 282.344 1.538 20 5 CDBDRO CC(C)([NH2+]C[C@@H]1COCCO1)c1ccccc1[N+](=O)[O-] ZINC000451052968 390591070 /nfs/dbraw/zinc/59/10/70/390591070.db2.gz GRTUWJPLJKGVGV-LLVKDONJSA-N 1 0 280.324 1.835 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000044528508 390920197 /nfs/dbraw/zinc/92/01/97/390920197.db2.gz FFOHRISWWFVUJH-LLVKDONJSA-N 1 0 277.324 1.714 20 5 CDBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000449659501 391221079 /nfs/dbraw/zinc/22/10/79/391221079.db2.gz VUGXSNBPMJYPBY-SNVBAGLBSA-N 1 0 285.250 1.322 20 5 CDBDRO Cc1ccc(CNC[C@@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000415032611 391248070 /nfs/dbraw/zinc/24/80/70/391248070.db2.gz GBEYJCLTJQFQDA-ZDUSSCGKSA-N 1 0 279.340 1.371 20 5 CDBDRO COC[C@@](C)(O)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000527039382 391253353 /nfs/dbraw/zinc/25/33/53/391253353.db2.gz OZYDEVJAAYYPHJ-BLMSOEDDSA-N 1 0 294.351 1.985 20 5 CDBDRO C[C@H](CCO)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000519716139 391207899 /nfs/dbraw/zinc/20/78/99/391207899.db2.gz YDGGVYNUQDAMRE-LLVKDONJSA-N 1 0 295.339 1.532 20 5 CDBDRO COc1ccc(CN(C2CC2)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000347161977 391510056 /nfs/dbraw/zinc/51/00/56/391510056.db2.gz HYLGGDBJLWTQHP-ZDUSSCGKSA-N 1 0 291.351 1.930 20 5 CDBDRO CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000567893051 391546540 /nfs/dbraw/zinc/54/65/40/391546540.db2.gz LGLAHWUNOQYAMI-ZDUSSCGKSA-N 1 0 292.339 1.217 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000129267560 391641692 /nfs/dbraw/zinc/64/16/92/391641692.db2.gz FDCCSJODTJJLNB-BKVNPXPRSA-N 1 0 289.335 1.946 20 5 CDBDRO CCNC(=O)[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449247643 391661835 /nfs/dbraw/zinc/66/18/35/391661835.db2.gz GAKAUWDGACWMDP-QWRGUYRKSA-N 1 0 279.340 1.640 20 5 CDBDRO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449247644 391662065 /nfs/dbraw/zinc/66/20/65/391662065.db2.gz GAKAUWDGACWMDP-WDEREUQCSA-N 1 0 279.340 1.640 20 5 CDBDRO C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000189725726 130016598 /nfs/dbraw/zinc/01/65/98/130016598.db2.gz WRWNJOPTJRYZSN-GXFFZTMASA-N 1 0 250.298 1.798 20 5 CDBDRO Cc1cc(N2CC[N@@H+](C)CC[C@H]2C)ncc1[N+](=O)[O-] ZINC000348174225 391802240 /nfs/dbraw/zinc/80/22/40/391802240.db2.gz BLURBRJURIHHLS-LLVKDONJSA-N 1 0 264.329 1.829 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](O)C2CCC2)cs1 ZINC000316668798 391962499 /nfs/dbraw/zinc/96/24/99/391962499.db2.gz XVFKNDYOYSDCOU-JTQLQIEISA-N 1 0 256.327 1.907 20 5 CDBDRO C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000227806658 130853392 /nfs/dbraw/zinc/85/33/92/130853392.db2.gz QGBGRJBJROTXRR-ZMLRMANQSA-N 1 0 277.324 1.899 20 5 CDBDRO Cc1cnc(NC[C@](C)(O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000228669778 130873112 /nfs/dbraw/zinc/87/31/12/130873112.db2.gz WYNWAFKOEBWKKI-LBPRGKRZSA-N 1 0 268.317 1.023 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)CCC[NH3+])cc1[N+](=O)[O-] ZINC000237554002 131040356 /nfs/dbraw/zinc/04/03/56/131040356.db2.gz RRUKRDWOQRAELT-SNVBAGLBSA-N 1 0 265.313 1.819 20 5 CDBDRO Cc1sc(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000237639983 131049801 /nfs/dbraw/zinc/04/98/01/131049801.db2.gz CITPOSUKBVYRIR-YUMQZZPRSA-N 1 0 283.353 1.787 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000261765082 131167977 /nfs/dbraw/zinc/16/79/77/131167977.db2.gz VIXRTOWGXIWZHB-HFAKWTLXSA-N 1 0 291.351 1.640 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000262912987 131272771 /nfs/dbraw/zinc/27/27/71/131272771.db2.gz YQWUFBRFZYKHBL-CMPLNLGQSA-N 1 0 277.324 1.252 20 5 CDBDRO C[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000263705879 131312817 /nfs/dbraw/zinc/31/28/17/131312817.db2.gz MKGLLDUBXXGJAT-LLVKDONJSA-N 1 0 289.335 1.826 20 5 CDBDRO CCOC[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000459696477 392499101 /nfs/dbraw/zinc/49/91/01/392499101.db2.gz BFKFVAZWTCOWPJ-LBPRGKRZSA-N 1 0 282.344 1.682 20 5 CDBDRO C[NH+](C)C1CN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000270899570 392510740 /nfs/dbraw/zinc/51/07/40/392510740.db2.gz RXFLWYLIYGZAEN-UHFFFAOYSA-N 1 0 272.308 1.893 20 5 CDBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000266577027 131753546 /nfs/dbraw/zinc/75/35/46/131753546.db2.gz UMDFOFSKKNWJET-GHMZBOCLSA-N 1 0 292.339 1.622 20 5 CDBDRO CC(C)([NH2+]CCC(=O)NC(N)=O)c1ccccc1[N+](=O)[O-] ZINC000298428097 392699619 /nfs/dbraw/zinc/69/96/19/392699619.db2.gz PYZITRZROPQTPE-UHFFFAOYSA-N 1 0 294.311 1.005 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000417852151 392874233 /nfs/dbraw/zinc/87/42/33/392874233.db2.gz NTFYCAFGQUVSMA-PWSUYJOCSA-N 1 0 292.339 1.707 20 5 CDBDRO C[NH2+]CCCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000418289515 392879205 /nfs/dbraw/zinc/87/92/05/392879205.db2.gz YAHDQPLJBAIFKC-UHFFFAOYSA-N 1 0 294.355 1.739 20 5 CDBDRO CN(CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+]1C ZINC000421011992 392926322 /nfs/dbraw/zinc/92/63/22/392926322.db2.gz SRZKENGTAPLHLX-CYBMUJFWSA-N 1 0 293.367 2.000 20 5 CDBDRO Cc1nc(N(C)[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000268520111 132021383 /nfs/dbraw/zinc/02/13/83/132021383.db2.gz UVFILGNFKFEIRJ-LLVKDONJSA-N 1 0 264.329 1.829 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000269128291 132117165 /nfs/dbraw/zinc/11/71/65/132117165.db2.gz NEWXHIKQRMRLJA-QMMMGPOBSA-N 1 0 283.715 1.682 20 5 CDBDRO CCOc1ccc([C@H](C)N[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000423379348 392962887 /nfs/dbraw/zinc/96/28/87/392962887.db2.gz XFVWFOCBJAGAKC-UWVGGRQHSA-N 1 0 267.329 1.991 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)[C@H]1CCOC1 ZINC000449162958 393131228 /nfs/dbraw/zinc/13/12/28/393131228.db2.gz UKVAXJUIEKZDBA-OSAQELSMSA-N 1 0 294.351 1.513 20 5 CDBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000449745233 393141429 /nfs/dbraw/zinc/14/14/29/393141429.db2.gz LZUAHKMRYQIIOC-CBSYICTRSA-N 1 0 289.335 1.852 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000132569673 139853779 /nfs/dbraw/zinc/85/37/79/139853779.db2.gz HQNBSKGHDYVLPO-VIFPVBQESA-N 1 0 281.287 1.545 20 5 CDBDRO C[C@H](C[C@H]1COCCN1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000133890009 139873920 /nfs/dbraw/zinc/87/39/20/139873920.db2.gz JTDKSDUMBGFAJS-OCCSQVGLSA-N 1 0 293.367 1.494 20 5 CDBDRO C[NH+]1CCC(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000181009707 140019199 /nfs/dbraw/zinc/01/91/99/140019199.db2.gz YXEFDSDGECBSIA-UHFFFAOYSA-N 1 0 292.339 1.249 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000226576597 140181252 /nfs/dbraw/zinc/18/12/52/140181252.db2.gz IDVJIWNSAZYGQO-SNVBAGLBSA-N 1 0 260.240 1.619 20 5 CDBDRO Cc1c(CNC(=O)C[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000231855834 140220261 /nfs/dbraw/zinc/22/02/61/140220261.db2.gz FAWSFQNEPRIJOP-NSHDSACASA-N 1 0 277.324 1.519 20 5 CDBDRO COc1ccc(C(=O)N[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000232235763 140222231 /nfs/dbraw/zinc/22/22/31/140222231.db2.gz UFFAAKHXKKHEBG-NSHDSACASA-N 1 0 293.323 1.475 20 5 CDBDRO COc1cc(N2CC[C@H]([NH3+])[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000261630281 140366017 /nfs/dbraw/zinc/36/60/17/140366017.db2.gz ATNXFGGYISPWNQ-SCZZXKLOSA-N 1 0 283.303 1.916 20 5 CDBDRO COC[C@@]1(CNc2cccc(OC)c2[N+](=O)[O-])CCC[NH2+]1 ZINC000261798906 140390107 /nfs/dbraw/zinc/39/01/07/140390107.db2.gz YMWFZIJGBKVNDA-AWEZNQCLSA-N 1 0 295.339 1.784 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000261815339 140394045 /nfs/dbraw/zinc/39/40/45/140394045.db2.gz XHTSCPQNCQSYRI-QWRGUYRKSA-N 1 0 290.323 1.668 20 5 CDBDRO CC1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C[NH2+]C1 ZINC000423184587 397602206 /nfs/dbraw/zinc/60/22/06/397602206.db2.gz MCXIBWMTJMNPNK-UHFFFAOYSA-N 1 0 275.308 1.089 20 5 CDBDRO CCC[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000120978020 147354643 /nfs/dbraw/zinc/35/46/43/147354643.db2.gz VEQCZQZQOLQFJT-JSGCOSHPSA-N 1 0 296.371 1.664 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000127659450 147565732 /nfs/dbraw/zinc/56/57/32/147565732.db2.gz BLQGNJSUPFUMHC-UHFFFAOYSA-N 1 0 279.340 1.771 20 5 CDBDRO Cc1c([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cnn1C ZINC000180965816 148171168 /nfs/dbraw/zinc/17/11/68/148171168.db2.gz GTKLVSMBTWUDDV-SECBINFHSA-N 1 0 278.316 1.184 20 5 CDBDRO CC(C)(CCC[NH3+])NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000311129887 149210004 /nfs/dbraw/zinc/21/00/04/149210004.db2.gz WIGIZUUXSXKUKX-UHFFFAOYSA-N 1 0 254.290 1.170 20 5 CDBDRO O=C(NCCC[NH+]1CCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344355742 152504922 /nfs/dbraw/zinc/50/49/22/152504922.db2.gz UMUSRXWGASXKQN-UHFFFAOYSA-N 1 0 295.314 1.950 20 5 CDBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000352223629 155036494 /nfs/dbraw/zinc/03/64/94/155036494.db2.gz XGSDGCASRSZZRG-NSHDSACASA-N 1 0 268.313 1.676 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000360918068 158671368 /nfs/dbraw/zinc/67/13/68/158671368.db2.gz FLGSRQAKBQZSJI-GFCCVEGCSA-N 1 0 295.387 1.898 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1C1CC1 ZINC000372349151 160109117 /nfs/dbraw/zinc/10/91/17/160109117.db2.gz INWPMGVOHLVUPM-CYBMUJFWSA-N 1 0 277.324 1.631 20 5 CDBDRO C[C@@H](O)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447572950 287098882 /nfs/dbraw/zinc/09/88/82/287098882.db2.gz FFZUNMKHAJLXLR-OUAUKWLOSA-N 1 0 268.317 1.245 20 5 CDBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285159040 196209947 /nfs/dbraw/zinc/20/99/47/196209947.db2.gz YEXPLAVJQNWRDL-SNVBAGLBSA-N 1 0 295.343 1.312 20 5 CDBDRO CO[C@H](C)C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285704348 196372889 /nfs/dbraw/zinc/37/28/89/196372889.db2.gz ONGLHRQNXURQHK-MFKMUULPSA-N 1 0 268.313 1.595 20 5 CDBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285781230 196396485 /nfs/dbraw/zinc/39/64/85/196396485.db2.gz KCYZHSHCYGXMQK-SECBINFHSA-N 1 0 295.343 1.120 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000285945612 196449028 /nfs/dbraw/zinc/44/90/28/196449028.db2.gz GCFWHMLSXWXHRC-KKFJDGPESA-N 1 0 292.339 1.293 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000040595030 174348531 /nfs/dbraw/zinc/34/85/31/174348531.db2.gz XCFYBUYIENATLG-VIFPVBQESA-N 1 0 283.353 1.728 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000044491989 175180966 /nfs/dbraw/zinc/18/09/66/175180966.db2.gz RHXXGUVSGWAWMV-NSHDSACASA-N 1 0 277.324 1.775 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000071142884 176040720 /nfs/dbraw/zinc/04/07/20/176040720.db2.gz AKSDJTMNGNHABN-QMMMGPOBSA-N 1 0 269.326 1.338 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000071396994 176150895 /nfs/dbraw/zinc/15/08/95/176150895.db2.gz YENQQQGSQDMDPT-SECBINFHSA-N 1 0 267.260 1.216 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NCC1([NH+](C)C)CCOCC1 ZINC000071905261 176296557 /nfs/dbraw/zinc/29/65/57/176296557.db2.gz XSLWXINJBGCXSF-UHFFFAOYSA-N 1 0 294.355 1.821 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000394569473 261672875 /nfs/dbraw/zinc/67/28/75/261672875.db2.gz QZSLDGPWBZNOTA-RNFRBKRXSA-N 1 0 271.704 1.714 20 5 CDBDRO CC1(C)[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@H]2CCO[C@H]21 ZINC000521698068 270561558 /nfs/dbraw/zinc/56/15/58/270561558.db2.gz DUNBMDHYKAIORH-IJLUTSLNSA-N 1 0 280.328 1.194 20 5 CDBDRO C[C@@H](CC(N)=O)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447582110 274207843 /nfs/dbraw/zinc/20/78/43/274207843.db2.gz XZECIVWUHIUWNP-ZANVPECISA-N 1 0 277.324 1.826 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000343798765 274212616 /nfs/dbraw/zinc/21/26/16/274212616.db2.gz WHPDLFSKRQNCBL-VIFPVBQESA-N 1 0 275.312 1.900 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000192055411 274239526 /nfs/dbraw/zinc/23/95/26/274239526.db2.gz AIAWIXLNWYLOGQ-DTWKUNHWSA-N 1 0 263.297 1.467 20 5 CDBDRO Cc1nc(N2CC[NH+](C3CCC3)CC2)ncc1[N+](=O)[O-] ZINC000297265901 274841552 /nfs/dbraw/zinc/84/15/52/274841552.db2.gz WKAQZRASZDJBRV-UHFFFAOYSA-N 1 0 277.328 1.368 20 5 CDBDRO [NH3+][C@@H]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000261583954 274956462 /nfs/dbraw/zinc/95/64/62/274956462.db2.gz HONYWMJJIDEVCD-SSDOTTSWSA-N 1 0 279.325 1.527 20 5 CDBDRO CC[C@H](C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)OC ZINC000419283003 276567185 /nfs/dbraw/zinc/56/71/85/276567185.db2.gz MLBKHRAJPVBWHY-GFCCVEGCSA-N 1 0 294.355 1.537 20 5 CDBDRO C[N@@H+]1CC[C@@]2(CCN(c3ncccc3[N+](=O)[O-])C2)C1 ZINC000292192384 277161168 /nfs/dbraw/zinc/16/11/68/277161168.db2.gz GENSOUIFJJTGEH-CYBMUJFWSA-N 1 0 262.313 1.522 20 5 CDBDRO CC(C)(C)c1ccc(C(=O)N[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000127758476 277267206 /nfs/dbraw/zinc/26/72/06/277267206.db2.gz LFPZLXANUGABJT-NSHDSACASA-N 1 0 291.351 1.984 20 5 CDBDRO CO[C@@](C)([C@@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000411959162 277317558 /nfs/dbraw/zinc/31/75/58/277317558.db2.gz YBQCHUYHJIJSMP-MFKMUULPSA-N 1 0 282.344 1.585 20 5 CDBDRO CC(C)(O)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331340602 277317614 /nfs/dbraw/zinc/31/76/14/277317614.db2.gz NDLLBMNMXZIKSF-WDEREUQCSA-N 1 0 282.344 1.636 20 5 CDBDRO COC[C@H](O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279081479 277603168 /nfs/dbraw/zinc/60/31/68/277603168.db2.gz MQIHZYWAIRYMJE-BXUZGUMPSA-N 1 0 294.351 1.914 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000261628831 278844567 /nfs/dbraw/zinc/84/45/67/278844567.db2.gz AYUWNWLVOHCFRZ-JGVFFNPUSA-N 1 0 293.352 1.786 20 5 CDBDRO CC[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000268827830 288086305 /nfs/dbraw/zinc/08/63/05/288086305.db2.gz LSIAVEBYXHRECL-AAEUAGOBSA-N 1 0 277.324 1.866 20 5 CDBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355348527 279079066 /nfs/dbraw/zinc/07/90/66/279079066.db2.gz ZSGXSWDADIQDHN-VHSXEESVSA-N 1 0 252.318 1.949 20 5 CDBDRO CC[NH2+]CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000211568060 280086544 /nfs/dbraw/zinc/08/65/44/280086544.db2.gz AZAPXJLGPANZMT-FPLPWBNLSA-N 1 0 263.297 1.334 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@H]1C[NH3+] ZINC000237528432 280178886 /nfs/dbraw/zinc/17/88/86/280178886.db2.gz VSFPVOHQFLWRAG-SKDRFNHKSA-N 1 0 292.339 1.376 20 5 CDBDRO Cc1c(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000089090867 280216262 /nfs/dbraw/zinc/21/62/62/280216262.db2.gz QXSSJWZJRJUHNW-ZYHUDNBSSA-N 1 0 277.324 1.760 20 5 CDBDRO Cc1c(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000089090870 280218736 /nfs/dbraw/zinc/21/87/36/280218736.db2.gz QXSSJWZJRJUHNW-JQWIXIFHSA-N 1 0 277.324 1.760 20 5 CDBDRO CC(C)[NH2+]CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000516768519 280947717 /nfs/dbraw/zinc/94/77/17/280947717.db2.gz WYFMZMVQFFLWBT-UHFFFAOYSA-N 1 0 298.318 1.434 20 5 CDBDRO C[N@@H+]1CC[C@@H](C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000527474449 281141942 /nfs/dbraw/zinc/14/19/42/281141942.db2.gz VTHDEPWRDRSPNV-MRVPVSSYSA-N 1 0 267.260 1.624 20 5 CDBDRO Cc1cnc(N2CCO[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000266228954 281607267 /nfs/dbraw/zinc/60/72/67/281607267.db2.gz SSHIRQUDMKWRIZ-LLVKDONJSA-N 1 0 280.328 1.065 20 5 CDBDRO C[C@@](C[NH3+])(NC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000255014408 289350276 /nfs/dbraw/zinc/35/02/76/289350276.db2.gz ZEHLFTXLXYLWCY-KKTNHOPESA-N 1 0 289.335 1.852 20 5 CDBDRO C[N@@H+]1CCC[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000554129201 290145745 /nfs/dbraw/zinc/14/57/45/290145745.db2.gz BFIRCDVEQMQZRD-ZDUSSCGKSA-N 1 0 293.323 1.184 20 5 CDBDRO Cc1cnc(N2CCC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000227346035 292906119 /nfs/dbraw/zinc/90/61/19/292906119.db2.gz SLAZWPNJQOVSPT-WDEREUQCSA-N 1 0 264.329 1.862 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1CC1 ZINC000562987200 293235218 /nfs/dbraw/zinc/23/52/18/293235218.db2.gz WLUKMQUZPZIRPY-LLVKDONJSA-N 1 0 266.297 1.334 20 5 CDBDRO COCC[C@@H](CO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567123907 316744018 /nfs/dbraw/zinc/74/40/18/316744018.db2.gz VFFMKBSZMZQUOA-GXFFZTMASA-N 1 0 280.324 1.569 20 5 CDBDRO C[S@](=O)C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000380260799 323613159 /nfs/dbraw/zinc/61/31/59/323613159.db2.gz UYEQQEPKJRBEGT-SFHVURJKSA-N 1 0 268.338 1.596 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000382408666 323638892 /nfs/dbraw/zinc/63/88/92/323638892.db2.gz CKLLNEOOMYOSOT-VHSXEESVSA-N 1 0 250.302 1.980 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000382449137 323640828 /nfs/dbraw/zinc/64/08/28/323640828.db2.gz CTPNDEQKMHGREZ-GHMZBOCLSA-N 1 0 277.324 1.760 20 5 CDBDRO [NH3+]CCCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000388701505 323794376 /nfs/dbraw/zinc/79/43/76/323794376.db2.gz HFPIUCHIUVJKSW-YVMONPNESA-N 1 0 263.297 1.463 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000578769845 324022286 /nfs/dbraw/zinc/02/22/86/324022286.db2.gz AFINCHCNEKIEOJ-UHFFFAOYSA-N 1 0 295.295 1.053 20 5 CDBDRO CC[N@H+](C)CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000579104050 324104055 /nfs/dbraw/zinc/10/40/55/324104055.db2.gz JMJVQQOUEYYVNN-LLVKDONJSA-N 1 0 279.340 1.766 20 5 CDBDRO CC/C=C/C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583377026 325162921 /nfs/dbraw/zinc/16/29/21/325162921.db2.gz UKKVRYAVGQROSC-ONEGZZNKSA-N 1 0 298.364 1.924 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1-n1ccc2c1CC[NH2+]C2 ZINC001157442631 1162086568 /nfs/dbraw/zinc/08/65/68/1162086568.db2.gz NIVDTIQDFBYCDF-UHFFFAOYSA-N 1 0 262.244 1.565 20 5 CDBDRO CC(C)(C)[C@@H](CCO)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000183698064 518916657 /nfs/dbraw/zinc/91/66/57/518916657.db2.gz DKPFHDOCFSYYJH-GFCCVEGCSA-N 1 0 297.355 1.143 20 5 CDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000049070000 523850372 /nfs/dbraw/zinc/85/03/72/523850372.db2.gz DQTBAZKSXBFXSK-LBPRGKRZSA-N 1 0 278.312 1.811 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000186699299 524312324 /nfs/dbraw/zinc/31/23/24/524312324.db2.gz KKASABHTNVWYBI-JQWIXIFHSA-N 1 0 292.339 1.121 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000183311971 525562620 /nfs/dbraw/zinc/56/26/20/525562620.db2.gz HFNVDTZHOKGFAZ-LLVKDONJSA-N 1 0 250.298 1.717 20 5 CDBDRO C[C@@H](Nc1ccc([N+](=O)[O-])nc1)[C@@H]1CCC[NH2+]C1 ZINC000050163710 525711638 /nfs/dbraw/zinc/71/16/38/525711638.db2.gz SRXHFUMHIGMGDH-NXEZZACHSA-N 1 0 250.302 1.790 20 5 CDBDRO [NH3+]C1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000051693352 527141718 /nfs/dbraw/zinc/14/17/18/527141718.db2.gz VUXXCHUMBUYBSQ-UHFFFAOYSA-N 1 0 299.352 1.143 20 5 CDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000184954427 527370512 /nfs/dbraw/zinc/37/05/12/527370512.db2.gz CQBCNCJSFLCHQA-IACUBPJLSA-N 1 0 289.335 1.333 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@@H]1CO ZINC000052617024 527403897 /nfs/dbraw/zinc/40/38/97/527403897.db2.gz GWUQVHDWMQKDCY-GFCCVEGCSA-N 1 0 280.324 1.820 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000307895833 527792526 /nfs/dbraw/zinc/79/25/26/527792526.db2.gz INMVWAJNEPJKSH-NSHDSACASA-N 1 0 278.312 1.857 20 5 CDBDRO CC[NH2+]CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417952171 528313155 /nfs/dbraw/zinc/31/31/55/528313155.db2.gz XVOPWZSRYAYJFZ-UHFFFAOYSA-N 1 0 280.328 1.046 20 5 CDBDRO CCCc1n[nH]c(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000153949776 528547085 /nfs/dbraw/zinc/54/70/85/528547085.db2.gz AHZPLRZQHWECIH-DTORHVGOSA-N 1 0 295.343 1.093 20 5 CDBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc([N+](=O)[O-])c[nH]2)n1 ZINC000261846042 536346271 /nfs/dbraw/zinc/34/62/71/536346271.db2.gz SJYUPNUWJFEJON-LURJTMIESA-N 1 0 251.246 1.123 20 5 CDBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccc([N+](=O)[O-])n2C)n1 ZINC000261679692 536346902 /nfs/dbraw/zinc/34/69/02/536346902.db2.gz GSWZSBPFBRLVSK-ZETCQYMHSA-N 1 0 265.273 1.134 20 5 CDBDRO C[NH2+][C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000261809682 536363356 /nfs/dbraw/zinc/36/33/56/536363356.db2.gz SIKMVZLXOIURFQ-SNVBAGLBSA-N 1 0 290.323 1.920 20 5 CDBDRO C[NH2+][C@H](C)CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000261591329 536404775 /nfs/dbraw/zinc/40/47/75/536404775.db2.gz XPTXVQHKMINJIO-ZCFIWIBFSA-N 1 0 267.314 1.619 20 5 CDBDRO COc1ccc(C[NH2+]Cc2cncn2C)cc1[N+](=O)[O-] ZINC000263853313 536894159 /nfs/dbraw/zinc/89/41/59/536894159.db2.gz PYEMURXMQFURDO-UHFFFAOYSA-N 1 0 276.296 1.627 20 5 CDBDRO CC[NH+](CC)CCOC(=O)c1ccc([N+](=O)[O-])cc1N ZINC000768511878 576291776 /nfs/dbraw/zinc/29/17/76/576291776.db2.gz NPLQJOKSUPBROO-UHFFFAOYSA-N 1 0 281.312 1.676 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000768774543 576307458 /nfs/dbraw/zinc/30/74/58/576307458.db2.gz VESSYSFSXLBABD-JMSVASOKSA-N 1 0 293.367 1.653 20 5 CDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000742075308 576580739 /nfs/dbraw/zinc/58/07/39/576580739.db2.gz UXJLOUXEEMZEKX-AWEZNQCLSA-N 1 0 293.367 1.840 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NCC(C)(C)[NH+](C)C ZINC000891494946 617443686 /nfs/dbraw/zinc/44/36/86/617443686.db2.gz MJOYPXHQZQLWGE-UHFFFAOYSA-N 1 0 268.317 1.751 20 5 CDBDRO Nc1ccc(N2CC[NH+](CCCCO)CC2)c([N+](=O)[O-])c1 ZINC000804502373 618619834 /nfs/dbraw/zinc/61/98/34/618619834.db2.gz QYVZKFZKJVRDBK-UHFFFAOYSA-N 1 0 294.355 1.072 20 5 CDBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CC[C@H](C)O2)c1[N+](=O)[O-] ZINC000894815948 619072298 /nfs/dbraw/zinc/07/22/98/619072298.db2.gz BUAOGNMFFGQGLH-GXSJLCMTSA-N 1 0 296.323 1.966 20 5 CDBDRO CCC[C@@H]1CN(c2nccc(C)c2[N+](=O)[O-])CC[NH2+]1 ZINC000895058227 619242682 /nfs/dbraw/zinc/24/26/82/619242682.db2.gz KIWPJQDOWIWOAC-LLVKDONJSA-N 1 0 264.329 1.877 20 5 CDBDRO CN1CC[C@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000928559328 619379130 /nfs/dbraw/zinc/37/91/30/619379130.db2.gz XSNVNULUIMZKIU-QMMMGPOBSA-N 1 0 283.715 1.682 20 5 CDBDRO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1F ZINC000928560833 619383264 /nfs/dbraw/zinc/38/32/64/619383264.db2.gz WLDYXRFAXRZTAA-KOLCDFICSA-N 1 0 295.314 1.658 20 5 CDBDRO COC(=O)Cc1ccc(NC[C@@H]2CC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000895769968 619836403 /nfs/dbraw/zinc/83/64/03/619836403.db2.gz XDNJFHAFUJFTMK-NSHDSACASA-N 1 0 293.323 1.426 20 5 CDBDRO CC(C)[C@@H](CNCC[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000899869141 622495144 /nfs/dbraw/zinc/49/51/44/622495144.db2.gz ATAIEQOWWVUUPW-CYBMUJFWSA-N 1 0 257.378 1.609 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000899872399 622502350 /nfs/dbraw/zinc/50/23/50/622502350.db2.gz AMYPPECEMBYDHR-UHFFFAOYSA-N 1 0 282.315 1.740 20 5 CDBDRO CO[C@@](C)(C[NH2+]CC[N+](=O)[O-])COCc1ccccc1 ZINC000899893928 622515514 /nfs/dbraw/zinc/51/55/14/622515514.db2.gz XDSXZHULZHMRKG-AWEZNQCLSA-N 1 0 282.340 1.475 20 5 CDBDRO C[C@H]([NH2+]C[C@H]1CCN1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903317827 625970485 /nfs/dbraw/zinc/97/04/85/625970485.db2.gz NLNMOEQHSMLWDH-GXSJLCMTSA-N 1 0 264.329 1.532 20 5 CDBDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905102123 626620651 /nfs/dbraw/zinc/62/06/51/626620651.db2.gz QUVXJYRKIYZIBV-SNVBAGLBSA-N 1 0 273.333 1.252 20 5 CDBDRO C[C@@H](NCC[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000905213545 626694622 /nfs/dbraw/zinc/69/46/22/626694622.db2.gz CHKGIGHKRDEPIW-DGCLKSJQSA-N 1 0 251.330 1.544 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000905278524 626733027 /nfs/dbraw/zinc/73/30/27/626733027.db2.gz IFGQNFUNOBWESW-NWDGAFQWSA-N 1 0 251.286 1.168 20 5 CDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@H](O)c1c(F)cccc1Cl ZINC000905367244 626785792 /nfs/dbraw/zinc/78/57/92/626785792.db2.gz XTBHBRXIGJFCAE-HQJQHLMTSA-N 1 0 276.695 1.767 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(=O)n1CC[C@@H]1CCCC[N@H+]1C ZINC000906504346 627308715 /nfs/dbraw/zinc/30/87/15/627308715.db2.gz XOODINPTDVJLIU-LBPRGKRZSA-N 1 0 279.340 1.939 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000911657576 629403286 /nfs/dbraw/zinc/40/32/86/629403286.db2.gz WIHRXMZJAWZKRV-KWCYVHTRSA-N 1 0 289.335 1.519 20 5 CDBDRO C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911676827 629408117 /nfs/dbraw/zinc/40/81/17/629408117.db2.gz LTGSZIQDGWJHDK-QWHCGFSZSA-N 1 0 277.324 1.424 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911744403 629463240 /nfs/dbraw/zinc/46/32/40/629463240.db2.gz IYTLGAYYSHXTAB-BIMULSAOSA-N 1 0 277.324 1.552 20 5 CDBDRO CC[NH2+]CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911750693 629468530 /nfs/dbraw/zinc/46/85/30/629468530.db2.gz PNFUYPAUAQCSPG-OLZOCXBDSA-N 1 0 277.324 1.424 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]CCCCO)c([N+](=O)[O-])c1 ZINC001170294820 1162328030 /nfs/dbraw/zinc/32/80/30/1162328030.db2.gz CXUOQQUOGPYSLX-NSHDSACASA-N 1 0 282.340 1.897 20 5 CDBDRO COC(=O)c1ccnc(N2CCC[C@@H]([NH3+])[C@@H]2C)c1[N+](=O)[O-] ZINC001157741359 1162371608 /nfs/dbraw/zinc/37/16/08/1162371608.db2.gz KKJXUEHNJOJJJJ-WCBMZHEXSA-N 1 0 294.311 1.092 20 5 CDBDRO O=C(NCCC[NH2+]CCC1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767827 1162406381 /nfs/dbraw/zinc/40/63/81/1162406381.db2.gz WGCSOGPLBXSYSY-ZIAGYGMSSA-N 1 0 297.399 1.718 20 5 CDBDRO C[C@@H]1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)C[C@H](C)[NH2+]1 ZINC001158175127 1162753344 /nfs/dbraw/zinc/75/33/44/1162753344.db2.gz CUSPTHXVXKZBFK-AOOOYVTPSA-N 1 0 287.323 1.725 20 5 CDBDRO Cc1cc(N[C@H](C)[C@@H]2C[NH2+]CCO2)ncc1[N+](=O)[O-] ZINC001170566054 1162931450 /nfs/dbraw/zinc/93/14/50/1162931450.db2.gz DMOHFSGWEDHZLX-KOLCDFICSA-N 1 0 266.301 1.087 20 5 CDBDRO COc1nc(C)c(N[C@H](C)[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC001170569401 1162948512 /nfs/dbraw/zinc/94/85/12/1162948512.db2.gz RTYZLHPBCSHTPJ-SKDRFNHKSA-N 1 0 296.327 1.096 20 5 CDBDRO COc1nc(C)c(N[C@@H](C)[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC001170569399 1162948319 /nfs/dbraw/zinc/94/83/19/1162948319.db2.gz RTYZLHPBCSHTPJ-JOYOIKCWSA-N 1 0 296.327 1.096 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(-n2ccc(C[NH3+])cc2=N)c1F ZINC001167691227 1159428352 /nfs/dbraw/zinc/42/83/52/1159428352.db2.gz BHVRFVXFGSVKJV-UHFFFAOYSA-N 1 0 276.271 1.771 20 5 CDBDRO [NH3+]Cc1nn(-c2cccnc2[N+](=O)[O-])c2ccccc12 ZINC001167697481 1159486785 /nfs/dbraw/zinc/48/67/85/1159486785.db2.gz BGCAAQSAZLSZKW-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO Cc1c(C)c(-n2ccnc2C(N)=[NH2+])ncc1[N+](=O)[O-] ZINC001157622220 1162242885 /nfs/dbraw/zinc/24/28/85/1162242885.db2.gz AIEITKQYNQAWLA-UHFFFAOYSA-N 1 0 260.257 1.076 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cc(NC[C@H]2COCC[NH2+]2)n1 ZINC001159043139 1164013708 /nfs/dbraw/zinc/01/37/08/1164013708.db2.gz PCNMMFWNUUXSCZ-QMMMGPOBSA-N 1 0 272.692 1.044 20 5 CDBDRO O=C(CC[NH2+]CC1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000876571589 1165871979 /nfs/dbraw/zinc/87/19/79/1165871979.db2.gz NXBVIHMCZBFUJM-UHFFFAOYSA-N 1 0 289.335 1.874 20 5 CDBDRO COC(=O)c1cc(NC(=O)C2([NH3+])CC2)c(C)c([N+](=O)[O-])c1 ZINC001573938812 1170834891 /nfs/dbraw/zinc/83/48/91/1170834891.db2.gz SAMNXKVTTILSEY-UHFFFAOYSA-N 1 0 293.279 1.120 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001578621240 1171962019 /nfs/dbraw/zinc/96/20/19/1171962019.db2.gz NUMQVDQGEJDZRY-MRVPVSSYSA-N 1 0 281.287 1.479 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C1 ZINC001578664033 1171975403 /nfs/dbraw/zinc/97/54/03/1171975403.db2.gz LISFKKQBDNZGRZ-NSHDSACASA-N 1 0 292.339 1.976 20 5 CDBDRO COC(=O)Cc1ccc(SC2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC001578821102 1172020435 /nfs/dbraw/zinc/02/04/35/1172020435.db2.gz XZUUPTYQBRIALR-UHFFFAOYSA-N 1 0 282.321 1.374 20 5 CDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC001579537301 1172208221 /nfs/dbraw/zinc/20/82/21/1172208221.db2.gz MJYCDYCCZDWDHM-PSASIEDQSA-N 1 0 295.314 1.709 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1C[NH2+]CC12CC2 ZINC001579642618 1172232904 /nfs/dbraw/zinc/23/29/04/1172232904.db2.gz MOHKXDIONSHRLU-LBPRGKRZSA-N 1 0 290.323 1.777 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC001579642723 1172233042 /nfs/dbraw/zinc/23/30/42/1172233042.db2.gz SLQSUVFHJFZYCJ-MNOVXSKESA-N 1 0 292.339 1.416 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC2(C1)CCC[NH2+]C2 ZINC001580574367 1172472234 /nfs/dbraw/zinc/47/22/34/1172472234.db2.gz LWIQPPPPNAQFFJ-UHFFFAOYSA-N 1 0 289.335 1.349 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001580778332 1172537333 /nfs/dbraw/zinc/53/73/33/1172537333.db2.gz GVSFTZJQEMWEOH-USWWRNFRSA-N 1 0 276.296 1.609 20 5 CDBDRO COc1ccc(C[NH2+]CC(=O)NCC(C)C)cc1[N+](=O)[O-] ZINC000134638821 1175820291 /nfs/dbraw/zinc/82/02/91/1175820291.db2.gz PWAOJNGHFHDQBS-UHFFFAOYSA-N 1 0 295.339 1.465 20 5 CDBDRO COc1cccc(-n2ccnc2CC[NH3+])c1[N+](=O)[O-] ZINC000135069288 1175822109 /nfs/dbraw/zinc/82/21/09/1175822109.db2.gz BYGHKTJNCZMLOV-UHFFFAOYSA-N 1 0 262.269 1.290 20 5 CDBDRO CCN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000214664111 1175828119 /nfs/dbraw/zinc/82/81/19/1175828119.db2.gz VGJUBAHEABYYSY-PODYEWJSSA-N 1 0 289.335 1.818 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(O[C@H]2CCC[NH2+]C2)c1 ZINC000155936236 1178168786 /nfs/dbraw/zinc/16/87/86/1178168786.db2.gz ZVVPXRHATIAJAC-JTQLQIEISA-N 1 0 252.270 1.734 20 5 CDBDRO CC(C)CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001755529172 1185981221 /nfs/dbraw/zinc/98/12/21/1185981221.db2.gz LKGYXSMSPLVEHS-ZIAGYGMSSA-N 1 0 297.399 1.621 20 5 CDBDRO Cc1nc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000408067973 719154186 /nfs/dbraw/zinc/15/41/86/719154186.db2.gz QDQDSWQBPFTNNH-ZJUUUORDSA-N 1 0 264.329 1.827 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1COC[C@H]1O ZINC000866372184 1164774578 /nfs/dbraw/zinc/77/45/78/1164774578.db2.gz PBPAASJLXDEBQU-RLCGTCKNSA-N 1 0 284.287 1.014 20 5 CDBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)[NH+](C)C ZINC001609114219 1164777690 /nfs/dbraw/zinc/77/76/90/1164777690.db2.gz ZZPFSFMSRCOQQM-MRVPVSSYSA-N 1 0 291.315 1.137 20 5 CDBDRO C[C@@H](NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817976610 782351643 /nfs/dbraw/zinc/35/16/43/782351643.db2.gz PCHXQFARKKKXBW-MIMYLULJSA-N 1 0 282.319 1.528 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700625834 782429439 /nfs/dbraw/zinc/42/94/39/782429439.db2.gz IBPVUFNNXUOSGB-UHFFFAOYSA-N 1 0 285.731 1.978 20 5 CDBDRO Cc1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000097092620 782496973 /nfs/dbraw/zinc/49/69/73/782496973.db2.gz ROSQAAFMNHIJDS-VHSXEESVSA-N 1 0 263.297 1.969 20 5 CDBDRO CC[C@@H](CCO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843079621 782509543 /nfs/dbraw/zinc/50/95/43/782509543.db2.gz ZYUWXCGICIPUHS-AAEUAGOBSA-N 1 0 268.313 1.379 20 5 CDBDRO Cc1nn(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000795708115 782639492 /nfs/dbraw/zinc/63/94/92/782639492.db2.gz REYIRCBHLJRVQZ-WCQYABFASA-N 1 0 293.371 1.616 20 5 CDBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886082911 782644937 /nfs/dbraw/zinc/64/49/37/782644937.db2.gz CCCNVVCIKUECTD-ZYHUDNBSSA-N 1 0 265.313 1.725 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2nc(CC3CC[NH2+]CC3)no2)[nH]1 ZINC000843135309 782685595 /nfs/dbraw/zinc/68/55/95/782685595.db2.gz RWIBDIXIGORRMV-UHFFFAOYSA-N 1 0 277.284 1.515 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CC[C@H](O)C2)c1 ZINC000843092972 782686426 /nfs/dbraw/zinc/68/64/26/782686426.db2.gz OWRSUXCSIAWQFR-DDTOSNHZSA-N 1 0 280.324 1.379 20 5 CDBDRO C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000125424190 782741600 /nfs/dbraw/zinc/74/16/00/782741600.db2.gz WLQPBJOMPUYIHE-CMPLNLGQSA-N 1 0 284.360 1.424 20 5 CDBDRO CC[C@H](CO)[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000293976532 782762375 /nfs/dbraw/zinc/76/23/75/782762375.db2.gz VEXGOVCQXRSOOQ-LLVKDONJSA-N 1 0 256.277 1.937 20 5 CDBDRO [NH3+]CC1(Cc2nc(-c3ccc([N+](=O)[O-])s3)no2)CC1 ZINC000823069447 782831940 /nfs/dbraw/zinc/83/19/40/782831940.db2.gz OEYUVIPRXDRFRN-UHFFFAOYSA-N 1 0 280.309 1.988 20 5 CDBDRO C[C@H]([NH2+]CC1(CO)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788608951 782878798 /nfs/dbraw/zinc/87/87/98/782878798.db2.gz GRWPBJRYIHLYNC-VIFPVBQESA-N 1 0 265.313 1.600 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1C ZINC000884270213 782919898 /nfs/dbraw/zinc/91/98/98/782919898.db2.gz IKYRTTYESFORMI-CMPLNLGQSA-N 1 0 291.351 1.939 20 5 CDBDRO C[C@]1(C[NH3+])CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000261776185 782965223 /nfs/dbraw/zinc/96/52/23/782965223.db2.gz PCCUWPMMBJECRA-CYBMUJFWSA-N 1 0 278.312 1.797 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000837189050 783003507 /nfs/dbraw/zinc/00/35/07/783003507.db2.gz HFBZQRBQSVLFGH-LBPRGKRZSA-N 1 0 285.388 1.763 20 5 CDBDRO C[NH+](C)C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(F)cc1 ZINC000839771996 783057608 /nfs/dbraw/zinc/05/76/08/783057608.db2.gz YASXUJVSJMCHKD-JHJVBQTASA-N 1 0 295.314 1.210 20 5 CDBDRO CN(Cc1cccnc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000886827294 783063933 /nfs/dbraw/zinc/06/39/33/783063933.db2.gz ISGAVSPRMXWINC-UHFFFAOYSA-N 1 0 250.302 1.174 20 5 CDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000877243639 783171747 /nfs/dbraw/zinc/17/17/47/783171747.db2.gz RGBUWINGVFKCOO-WAAGHKOSSA-N 1 0 297.742 1.644 20 5 CDBDRO C[C@H](Cn1ccnc1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158632128 780197349 /nfs/dbraw/zinc/19/73/49/780197349.db2.gz ZDNIIAACQAHOEI-RISCZKNCSA-N 1 0 290.323 1.503 20 5 CDBDRO C[C@@H]([NH3+])CN(C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000312018450 780251868 /nfs/dbraw/zinc/25/18/68/780251868.db2.gz ULPHOQMMISOJHB-DAGBOUIGSA-N 1 0 263.297 1.414 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000219736873 780254303 /nfs/dbraw/zinc/25/43/03/780254303.db2.gz ONAKSIOAJDAQLD-RYBZSIHZSA-N 1 0 275.308 1.415 20 5 CDBDRO CC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1[N+](=O)[O-] ZINC001029180664 780258810 /nfs/dbraw/zinc/25/88/10/780258810.db2.gz XHWIYHMJTJQIBB-OKILXGFUSA-N 1 0 289.335 1.790 20 5 CDBDRO C[C@H]([NH3+])Cc1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000843171182 780367462 /nfs/dbraw/zinc/36/74/62/780367462.db2.gz STIUBYBOASKEHX-QMMMGPOBSA-N 1 0 262.269 1.458 20 5 CDBDRO COCCOCC[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000808791587 780848274 /nfs/dbraw/zinc/84/82/74/780848274.db2.gz FBTVLMJFRVKZJU-CQSZACIVSA-N 1 0 298.339 1.223 20 5 CDBDRO C[C@H]([NH2+][C@H](CCO)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815594710 780892224 /nfs/dbraw/zinc/89/22/24/780892224.db2.gz WLFPBNMNBVFUGR-TVQRCGJNSA-N 1 0 279.340 1.989 20 5 CDBDRO Cc1nn(CN2CC[N@@H+](C)C[C@H]2C(C)C)c(C)c1[N+](=O)[O-] ZINC000246963383 780916797 /nfs/dbraw/zinc/91/67/97/780916797.db2.gz GHNIUBYKEIVACZ-ZDUSSCGKSA-N 1 0 295.387 1.638 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000702679464 780928180 /nfs/dbraw/zinc/92/81/80/780928180.db2.gz WZSBCVWVJHYQGT-UHLPNAGUSA-N 1 0 275.308 1.556 20 5 CDBDRO CN(C(=O)[C@@H]1CC[N@H+](CC[N+](=O)[O-])C1)c1ccccc1 ZINC000930304548 780970602 /nfs/dbraw/zinc/97/06/02/780970602.db2.gz KABVRTBYSZLZHS-GFCCVEGCSA-N 1 0 277.324 1.248 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[C@H]3O)CC2)cn1 ZINC000877597644 781069957 /nfs/dbraw/zinc/06/99/57/781069957.db2.gz SVKMFCAIWVJTMT-CHWSQXEVSA-N 1 0 292.339 1.072 20 5 CDBDRO Cc1cccc(NCC[N@H+](C)CCO)c1[N+](=O)[O-] ZINC000884825344 781105814 /nfs/dbraw/zinc/10/58/14/781105814.db2.gz QZDLFSDBCWYQQF-UHFFFAOYSA-N 1 0 253.302 1.239 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000882959401 781288047 /nfs/dbraw/zinc/28/80/47/781288047.db2.gz FERVLTJZUHJNTE-JTQLQIEISA-N 1 0 294.311 1.283 20 5 CDBDRO COC[C@@H](C)NC(=[NH2+])NCc1cccc([N+](=O)[O-])c1C ZINC000849021819 781342878 /nfs/dbraw/zinc/34/28/78/781342878.db2.gz KTNRERCWECXXQJ-SECBINFHSA-N 1 0 280.328 1.552 20 5 CDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000825877823 781346452 /nfs/dbraw/zinc/34/64/52/781346452.db2.gz RAKXZKRVUBUMLL-GFCCVEGCSA-N 1 0 285.388 1.813 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NCCc1cccc([N+](=O)[O-])c1 ZINC000925630339 781402501 /nfs/dbraw/zinc/40/25/01/781402501.db2.gz RFMTWYRUUZCQMP-ZDUSSCGKSA-N 1 0 263.341 1.867 20 5 CDBDRO O=[N+]([O-])c1cc(F)c(N2C[C@H]3C[NH2+]C[C@@H]3C2)c(F)c1 ZINC000227888575 781631652 /nfs/dbraw/zinc/63/16/52/781631652.db2.gz JIMJPNIMFFTUTP-HTQZYQBOSA-N 1 0 269.251 1.529 20 5 CDBDRO COc1cc(N2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000111051106 781824726 /nfs/dbraw/zinc/82/47/26/781824726.db2.gz AQPVOUQFRGVUCF-SECBINFHSA-N 1 0 251.286 1.531 20 5 CDBDRO CCC[C@@H](O)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134418435 781863375 /nfs/dbraw/zinc/86/33/75/781863375.db2.gz ZDMZSAVKPLVFQU-OLZOCXBDSA-N 1 0 268.313 1.379 20 5 CDBDRO CON(C)C(=O)[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000858588382 783312190 /nfs/dbraw/zinc/31/21/90/783312190.db2.gz DHESAAKPDPDCTO-SKDRFNHKSA-N 1 0 293.323 1.580 20 5 CDBDRO C[N@@H+]1CCN(Cc2cccnc2[N+](=O)[O-])CC1(C)C ZINC000886186191 783341841 /nfs/dbraw/zinc/34/18/41/783341841.db2.gz RJHYRSQPXXVUOQ-UHFFFAOYSA-N 1 0 264.329 1.516 20 5 CDBDRO [NH3+]CCCOC1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886830233 783360261 /nfs/dbraw/zinc/36/02/61/783360261.db2.gz NYIZFSZQWUJTCG-UHFFFAOYSA-N 1 0 294.355 1.320 20 5 CDBDRO COC(=O)[C@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000853129751 783541233 /nfs/dbraw/zinc/54/12/33/783541233.db2.gz OVIVSMYWJRUVQT-NQBHXWOUSA-N 1 0 294.307 1.169 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2CC(O)C2)c1F ZINC001173175232 912282229 /nfs/dbraw/zinc/28/22/29/912282229.db2.gz MAFWDIZMNIEPGH-XNWIYYODSA-N 1 0 298.314 1.786 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@H](CO)C1 ZINC001173215972 912299016 /nfs/dbraw/zinc/29/90/16/912299016.db2.gz GKSUTCZOLXIPKC-WCFLWFBJSA-N 1 0 264.325 1.886 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(CCO)COC1 ZINC001173215808 912299096 /nfs/dbraw/zinc/29/90/96/912299096.db2.gz FHGQFYPFMSFVIH-NSHDSACASA-N 1 0 280.324 1.267 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CNC(=O)C1 ZINC001173217858 912302014 /nfs/dbraw/zinc/30/20/14/912302014.db2.gz MSNTVRHAXYTMDG-CMPLNLGQSA-N 1 0 277.324 1.252 20 5 CDBDRO CC[N@H+](CCC(N)=O)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226338 912320120 /nfs/dbraw/zinc/32/01/20/912320120.db2.gz INFRJZPYXRESAO-LLVKDONJSA-N 1 0 279.340 1.723 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1COCCN1C ZINC001173232628 912327882 /nfs/dbraw/zinc/32/78/82/912327882.db2.gz FCVGBTQRICEJSM-DOMZBBRYSA-N 1 0 293.367 1.446 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CNC(=O)C1(C)C ZINC001173229306 912323836 /nfs/dbraw/zinc/32/38/36/912323836.db2.gz MNNNQLXQXYWSOA-GWCFXTLKSA-N 1 0 291.351 1.640 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCC(=O)N(C)C ZINC001173234031 912325400 /nfs/dbraw/zinc/32/54/00/912325400.db2.gz OSGBOBIQHCSVRE-GFCCVEGCSA-N 1 0 293.367 1.936 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)C(N)=O ZINC001173233532 912329353 /nfs/dbraw/zinc/32/93/53/912329353.db2.gz JLADSCYTQFGOTL-SECBINFHSA-N 1 0 265.313 1.379 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@H](O)C1 ZINC001173212949 912335432 /nfs/dbraw/zinc/33/54/32/912335432.db2.gz DCGIYJBIAXAMHM-XHVZSJERSA-N 1 0 250.298 1.639 20 5 CDBDRO C[C@H](CO)C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214630 912334521 /nfs/dbraw/zinc/33/45/21/912334521.db2.gz CZSGCWMMAGOOAV-QWRGUYRKSA-N 1 0 252.314 1.744 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@H](O)C1 ZINC001173212950 912336449 /nfs/dbraw/zinc/33/64/49/912336449.db2.gz DCGIYJBIAXAMHM-XWIASGKRSA-N 1 0 250.298 1.639 20 5 CDBDRO Cc1ccnc(-n2ccnc2[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001167057684 894084687 /nfs/dbraw/zinc/08/46/87/894084687.db2.gz VKTYMFGWGWMGGK-LLVKDONJSA-N 1 0 287.323 1.951 20 5 CDBDRO C[N@@H+]1CC[C@H](Nc2ccc3ncc([N+](=O)[O-])n3c2)C1 ZINC001167278195 895022952 /nfs/dbraw/zinc/02/29/52/895022952.db2.gz BDUCFTYXZQPBCP-JTQLQIEISA-N 1 0 261.285 1.359 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000050228728 895556077 /nfs/dbraw/zinc/55/60/77/895556077.db2.gz RLHXNPPCZUPCLM-ZETCQYMHSA-N 1 0 269.688 1.421 20 5 CDBDRO Nc1cc(CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)ccn1 ZINC001167616475 897054412 /nfs/dbraw/zinc/05/44/12/897054412.db2.gz JBJOJJPMTQRABT-UHFFFAOYSA-N 1 0 285.307 1.787 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(-n2c(C)ncc(C[NH3+])c2=N)c1F ZINC001167675906 897744208 /nfs/dbraw/zinc/74/42/08/897744208.db2.gz SRQJOXDSTFHMHS-UHFFFAOYSA-N 1 0 291.286 1.475 20 5 CDBDRO COc1ccnc(NC2(C)CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001168182532 907709677 /nfs/dbraw/zinc/70/96/77/907709677.db2.gz TVKWLSJXWOMGFN-UHFFFAOYSA-N 1 0 266.301 1.552 20 5 CDBDRO CC1(Nc2ccc3ncc([N+](=O)[O-])n3c2)CC[NH2+]CC1 ZINC001168185030 907735849 /nfs/dbraw/zinc/73/58/49/907735849.db2.gz AJIWTRJRFGWNIE-UHFFFAOYSA-N 1 0 275.312 1.797 20 5 CDBDRO [NH3+]CCN(Cc1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000713296905 909613448 /nfs/dbraw/zinc/61/34/48/909613448.db2.gz WPBKTWXHQYESQH-UHFFFAOYSA-N 1 0 277.246 1.918 20 5 CDBDRO CC1(C)[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000714025477 909671306 /nfs/dbraw/zinc/67/13/06/909671306.db2.gz XIBDKAPENULFHC-VHSXEESVSA-N 1 0 281.287 1.590 20 5 CDBDRO COc1cc(C[NH2+]C[C@@H]2CCN2C)c([N+](=O)[O-])cc1OC ZINC000922573895 921677177 /nfs/dbraw/zinc/67/71/77/921677177.db2.gz GPXBHMDOPQHVDH-NSHDSACASA-N 1 0 295.339 1.406 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCCCO)cc1 ZINC000229128099 912070953 /nfs/dbraw/zinc/07/09/53/912070953.db2.gz KMMLQFLFXMVHAN-ZDUSSCGKSA-N 1 0 268.313 1.380 20 5 CDBDRO O=C(/C=C\C1CC1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001125237289 936358607 /nfs/dbraw/zinc/35/86/07/936358607.db2.gz RBWSSECUNSXBLS-YVMONPNESA-N 1 0 289.335 1.767 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3cc(N)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000828988004 936398848 /nfs/dbraw/zinc/39/88/48/936398848.db2.gz PMTIUFXNACTBKC-RNCFNFMXSA-N 1 0 262.313 1.317 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1 ZINC000829592511 936423932 /nfs/dbraw/zinc/42/39/32/936423932.db2.gz CXFIRUNMNNTASN-SNPRPXQTSA-N 1 0 292.335 1.739 20 5 CDBDRO CO[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000831535743 936516077 /nfs/dbraw/zinc/51/60/77/936516077.db2.gz ZJECXRDCRVGVDN-TUKIKUTGSA-N 1 0 294.351 1.985 20 5 CDBDRO CNc1ccc(-c2nc(CC[NH3+])no2)cc1[N+](=O)[O-] ZINC000843128823 919873109 /nfs/dbraw/zinc/87/31/09/919873109.db2.gz JRVGRQBZYCSKQL-UHFFFAOYSA-N 1 0 263.257 1.188 20 5 CDBDRO COc1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)nc1[N+](=O)[O-] ZINC001162390467 922467691 /nfs/dbraw/zinc/46/76/91/922467691.db2.gz FYQVGGCADMYDSK-RKDXNWHRSA-N 1 0 266.301 1.680 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](Nc2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])C1 ZINC001162391503 922478013 /nfs/dbraw/zinc/47/80/13/922478013.db2.gz NKHYUXYQCITIPZ-YUMQZZPRSA-N 1 0 286.719 1.563 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923282002 923702096 /nfs/dbraw/zinc/70/20/96/923702096.db2.gz SQPXHLNLDDVGRT-KGLIPLIRSA-N 1 0 279.340 1.441 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923283288 923704252 /nfs/dbraw/zinc/70/42/52/923704252.db2.gz UKXVHFGQGRQTRA-SWLSCSKDSA-N 1 0 293.367 1.560 20 5 CDBDRO C[C@@H]1CC[C@@H](C[NH3+])CN1c1cccc([N+](=O)[O-])n1 ZINC001164463181 924900753 /nfs/dbraw/zinc/90/07/53/924900753.db2.gz XQTAMXGHZSCCQW-ZJUUUORDSA-N 1 0 250.302 1.553 20 5 CDBDRO COc1cc(NCC(C)(C)C[NH+](C)C)cnc1[N+](=O)[O-] ZINC001168769096 925823218 /nfs/dbraw/zinc/82/32/18/925823218.db2.gz LZZZSJJFDYJFAG-UHFFFAOYSA-N 1 0 282.344 1.998 20 5 CDBDRO COC(=O)c1ccnc(N[C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001154984508 926291909 /nfs/dbraw/zinc/29/19/09/926291909.db2.gz GEVTZKQKHMLCRW-IUCAKERBSA-N 1 0 294.311 1.458 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC001154986039 926309092 /nfs/dbraw/zinc/30/90/92/926309092.db2.gz QJOXXWOCUAYRLH-DTWKUNHWSA-N 1 0 251.290 1.375 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]([NH3+])CC(F)F)CC2 ZINC000843495259 937156617 /nfs/dbraw/zinc/15/66/17/937156617.db2.gz PYPBZZFHWVKGRI-SECBINFHSA-N 1 0 299.277 1.775 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1-n1cc2c(n1)CC[C@H]([NH3+])C2 ZINC001168815946 927446963 /nfs/dbraw/zinc/44/69/63/927446963.db2.gz MGIIZKDICWUNPN-VIFPVBQESA-N 1 0 289.295 1.000 20 5 CDBDRO [NH3+][C@@H]1CCN(c2ccc(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000062202279 927487244 /nfs/dbraw/zinc/48/72/44/927487244.db2.gz MGRXOYGSEVZQGP-LLVKDONJSA-N 1 0 285.307 1.589 20 5 CDBDRO [NH3+]CCc1cnn(-c2ccc3c([N+](=O)[O-])c[nH]c3n2)c1 ZINC001168948719 927554478 /nfs/dbraw/zinc/55/44/78/927554478.db2.gz RQXOQHUHCUGZOI-UHFFFAOYSA-N 1 0 272.268 1.158 20 5 CDBDRO Cc1noc(C)c1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168976178 927561227 /nfs/dbraw/zinc/56/12/27/927561227.db2.gz ZCOCXSRTECMTNN-QWRGUYRKSA-N 1 0 253.302 1.826 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC001168976290 927563150 /nfs/dbraw/zinc/56/31/50/927563150.db2.gz CJARPENLTNUREW-UONOGXRCSA-N 1 0 298.383 1.955 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCO[C@@H]2CCCCO2)C1 ZINC001168985424 927575108 /nfs/dbraw/zinc/57/51/08/927575108.db2.gz FDVIFMGPBANSJY-JHJVBQTASA-N 1 0 272.345 1.565 20 5 CDBDRO Cc1ccc(C[NH3+])nc1N(C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168963217 927584496 /nfs/dbraw/zinc/58/44/96/927584496.db2.gz OTOOUYJEWAYDJY-AAEUAGOBSA-N 1 0 278.356 1.730 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCN2CCCCO2)C1 ZINC001168964808 927587154 /nfs/dbraw/zinc/58/71/54/927587154.db2.gz WJHRAVCAAVSQHS-VXGBXAGGSA-N 1 0 257.334 1.049 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc(O)c2)C1 ZINC001168965942 927588961 /nfs/dbraw/zinc/58/89/61/927588961.db2.gz DTDXSWCZBYKNSX-NWDGAFQWSA-N 1 0 250.298 1.927 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C1 ZINC001168969101 927591640 /nfs/dbraw/zinc/59/16/40/927591640.db2.gz CBYVRGHYTJPDJD-WUHRBBMRSA-N 1 0 256.346 1.573 20 5 CDBDRO N=c1cc(C[NH3+])ccn1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968889 927592597 /nfs/dbraw/zinc/59/25/97/927592597.db2.gz ASWCKWGVECCEDH-GHMZBOCLSA-N 1 0 250.302 1.044 20 5 CDBDRO Cc1cc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)nn1C ZINC001168973881 927596735 /nfs/dbraw/zinc/59/67/35/927596735.db2.gz PGRYLQSZYIMRTG-WDEREUQCSA-N 1 0 252.318 1.264 20 5 CDBDRO Cc1cc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)nn1C ZINC001168973879 927597136 /nfs/dbraw/zinc/59/71/36/927597136.db2.gz PGRYLQSZYIMRTG-MNOVXSKESA-N 1 0 252.318 1.264 20 5 CDBDRO COc1cccc([C@@H](CO)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169005627 927608606 /nfs/dbraw/zinc/60/86/06/927608606.db2.gz BUOXWAWNFHXUEG-CORIIIEPSA-N 1 0 294.351 1.764 20 5 CDBDRO CO[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169007208 927612229 /nfs/dbraw/zinc/61/22/29/927612229.db2.gz LTSMWPDSGNHJQM-ZDEQEGDKSA-N 1 0 256.346 1.979 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(CCCO3)C2)C1 ZINC001169012177 927617376 /nfs/dbraw/zinc/61/73/76/927617376.db2.gz OOFBYPMFXPTOOU-AGIUHOORSA-N 1 0 254.330 1.687 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCOC2CCCC2)C1 ZINC001168986958 927622881 /nfs/dbraw/zinc/62/28/81/927622881.db2.gz GOTJMQHAHJCXFF-RYUDHWBXSA-N 1 0 256.346 1.981 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1ccc2ncccc2c1[N+](=O)[O-] ZINC001168987566 927625270 /nfs/dbraw/zinc/62/52/70/927625270.db2.gz RICRULHWNQKQJJ-UHFFFAOYSA-N 1 0 298.306 1.533 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2N2CCOCC2)C1 ZINC001168989910 927630435 /nfs/dbraw/zinc/63/04/35/927630435.db2.gz XSIPJHGGSYAZHJ-CBBWQLFWSA-N 1 0 297.399 1.275 20 5 CDBDRO CCN1CCC([N@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169034525 927640256 /nfs/dbraw/zinc/64/02/56/927640256.db2.gz HILGDYDOGMJRQV-GXTWGEPZSA-N 1 0 269.389 1.848 20 5 CDBDRO COC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169033672 927641880 /nfs/dbraw/zinc/64/18/80/927641880.db2.gz DHZPEUIQASJJRO-GRYCIOLGSA-N 1 0 270.329 1.317 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H](N2CC([NH+]3CCCC3)C2)C1 ZINC001169037097 927646680 /nfs/dbraw/zinc/64/66/80/927646680.db2.gz QVHVEKUUDCYNII-NWDGAFQWSA-N 1 0 253.346 1.212 20 5 CDBDRO CC(=O)[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039102 927649732 /nfs/dbraw/zinc/64/97/32/927649732.db2.gz NBNCSICQZRUVLF-AGIUHOORSA-N 1 0 254.330 1.875 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCCC3(C2)OCCO3)C1 ZINC001169038921 927650771 /nfs/dbraw/zinc/65/07/71/927650771.db2.gz LJTQYMRQHAWDJZ-VXGBXAGGSA-N 1 0 270.329 1.271 20 5 CDBDRO CCOC(=O)C[N@H+](CC)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169041030 927653300 /nfs/dbraw/zinc/65/33/00/927653300.db2.gz AOCWTCMIXCIBMQ-GHMZBOCLSA-N 1 0 258.318 1.317 20 5 CDBDRO CNCC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001169043428 927656560 /nfs/dbraw/zinc/65/65/60/927656560.db2.gz GOZVYYCVZHRIHM-VXGBXAGGSA-N 1 0 257.378 1.752 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[NH+](C3CCOCC3)CC2)C1 ZINC001169024379 927662933 /nfs/dbraw/zinc/66/29/33/927662933.db2.gz GWBDQDQZCIMOMZ-HIFRSBDPSA-N 1 0 297.399 1.228 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001169026556 927665624 /nfs/dbraw/zinc/66/56/24/927665624.db2.gz MKKTZAVJVAWZNK-FRRDWIJNSA-N 1 0 253.346 1.212 20 5 CDBDRO CC(C)(C)C(=O)N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169046713 927667082 /nfs/dbraw/zinc/66/70/82/927667082.db2.gz MCXQYDNQMOCVFL-QWHCGFSZSA-N 1 0 297.399 1.622 20 5 CDBDRO COc1cc2c(cn1)CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169057732 927675312 /nfs/dbraw/zinc/67/53/12/927675312.db2.gz XMXLFZHSQOATLA-RISCZKNCSA-N 1 0 291.351 1.894 20 5 CDBDRO CC[C@H](C)[C@H](Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)C(N)=O ZINC001169157389 927790452 /nfs/dbraw/zinc/79/04/52/927790452.db2.gz WNANTELBGQHSLU-SDBXPKJASA-N 1 0 292.339 1.510 20 5 CDBDRO C[N@@H+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000776597415 927793613 /nfs/dbraw/zinc/79/36/13/927793613.db2.gz LFYKCLCWSOSTQL-CQSZACIVSA-N 1 0 293.367 1.654 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1-n1ccc([C@@H](C)[NH3+])n1 ZINC001169231551 927842941 /nfs/dbraw/zinc/84/29/41/927842941.db2.gz MLOHTXJJWOUAOK-SSDOTTSWSA-N 1 0 263.257 1.204 20 5 CDBDRO COC(=O)c1cc(NCC[C@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC001169567706 928184000 /nfs/dbraw/zinc/18/40/00/928184000.db2.gz PBORFTQRWCSNJW-LLVKDONJSA-N 1 0 293.323 1.935 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3nc4ccccn4c3[N+](=O)[O-])C[C@H]2C1 ZINC000784631227 937306139 /nfs/dbraw/zinc/30/61/39/937306139.db2.gz VKKKDBBIGGTIKA-PHIMTYICSA-N 1 0 287.323 1.240 20 5 CDBDRO CCOc1cnc(N(C)C(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC001170053715 929195663 /nfs/dbraw/zinc/19/56/63/929195663.db2.gz YJJSNVLBCOPYDW-UHFFFAOYSA-N 1 0 268.317 1.562 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)N(C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000861601563 929312469 /nfs/dbraw/zinc/31/24/69/929312469.db2.gz AUPKAYCCWBYYAW-MNOVXSKESA-N 1 0 294.355 1.953 20 5 CDBDRO C[NH+](C)[C@@H](CNc1ccnc(F)c1[N+](=O)[O-])C1CC1 ZINC000881925621 929919482 /nfs/dbraw/zinc/91/94/82/929919482.db2.gz YSVPAJDZBAUECG-JTQLQIEISA-N 1 0 268.292 1.881 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H](CO)CC2)cc1 ZINC000815272748 929972042 /nfs/dbraw/zinc/97/20/42/929972042.db2.gz VWKZREXMNVFYDU-WFASDCNBSA-N 1 0 294.351 1.723 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H]2C[NH2+]C[C@H]2CO)c2ccncc21 ZINC001170782995 929988513 /nfs/dbraw/zinc/98/85/13/929988513.db2.gz WXKKXFZBINYJBB-ZANVPECISA-N 1 0 288.307 1.135 20 5 CDBDRO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815563652 930053419 /nfs/dbraw/zinc/05/34/19/930053419.db2.gz JVZPPKXXRVNKJS-QUBYGPBYSA-N 1 0 293.245 1.751 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC000133799890 930453071 /nfs/dbraw/zinc/45/30/71/930453071.db2.gz GJYQVNDHDYKPNN-SNVBAGLBSA-N 1 0 292.339 1.309 20 5 CDBDRO COCC[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818991892 930743889 /nfs/dbraw/zinc/74/38/89/930743889.db2.gz KYJWSLSGPRKYMY-MFKMUULPSA-N 1 0 268.313 1.643 20 5 CDBDRO CCCCN(C)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819055954 930752238 /nfs/dbraw/zinc/75/22/38/930752238.db2.gz ILQNQSYVZYTJQP-OAHLLOKOSA-N 1 0 295.383 1.950 20 5 CDBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886170029 930819879 /nfs/dbraw/zinc/81/98/79/930819879.db2.gz NPIBLKHIYMJKDX-JOYOIKCWSA-N 1 0 251.286 1.647 20 5 CDBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886280813 930848935 /nfs/dbraw/zinc/84/89/35/930848935.db2.gz LSHXKCHAOFUGGY-MWLCHTKSSA-N 1 0 251.286 1.335 20 5 CDBDRO Cc1noc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1[N+](=O)[O-] ZINC000886815263 930965340 /nfs/dbraw/zinc/96/53/40/930965340.db2.gz AMRNDKZGWXKQLD-MNOVXSKESA-N 1 0 281.312 1.892 20 5 CDBDRO CCN(Cc1cccnc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000886846463 930972994 /nfs/dbraw/zinc/97/29/94/930972994.db2.gz ADKRINDDUNOEKF-LLVKDONJSA-N 1 0 250.302 1.174 20 5 CDBDRO Cn1c(C(=O)NCC[N@@H+]2CCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000890079655 931405788 /nfs/dbraw/zinc/40/57/88/931405788.db2.gz HVCRJTLACYIIHM-UHFFFAOYSA-N 1 0 294.355 1.395 20 5 CDBDRO O=C(N1CCc2ccc([N+](=O)[O-])cc2C1)[C@]1(F)CC[NH2+]C1 ZINC001118200999 937601975 /nfs/dbraw/zinc/60/19/75/937601975.db2.gz HFEWXIRULDVJCS-AWEZNQCLSA-N 1 0 293.298 1.181 20 5 CDBDRO Cc1ccnc(N2CCOC[C@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC001154967651 937613642 /nfs/dbraw/zinc/61/36/42/937613642.db2.gz KBVKXXWICRQVRV-LLVKDONJSA-N 1 0 280.328 1.065 20 5 CDBDRO Nc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC001154987489 937617004 /nfs/dbraw/zinc/61/70/04/937617004.db2.gz XUAVDZXFCDKPGB-JGVFFNPUSA-N 1 0 251.290 1.254 20 5 CDBDRO C[C@H](O)[C@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000929852138 933281121 /nfs/dbraw/zinc/28/11/21/933281121.db2.gz FWJQEJHRDDGUCQ-IINYFYTJSA-N 1 0 280.324 1.301 20 5 CDBDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000930176250 933329423 /nfs/dbraw/zinc/32/94/23/933329423.db2.gz XIHRMGBBRNFPCH-JTQLQIEISA-N 1 0 258.318 1.174 20 5 CDBDRO C[C@H]1CN(CC[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000930646084 933421487 /nfs/dbraw/zinc/42/14/87/933421487.db2.gz APKNOBKEPDGKDJ-AWEZNQCLSA-N 1 0 277.368 1.717 20 5 CDBDRO O=C([C@@H]1[NH2+]C[C@@H]2C[C@@H]21)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001119005637 937687498 /nfs/dbraw/zinc/68/74/98/937687498.db2.gz MRJCNTNMWXPDAC-TVYUQYBPSA-N 1 0 273.292 1.045 20 5 CDBDRO [NH3+]CCN(CCO)c1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001155949809 937690370 /nfs/dbraw/zinc/69/03/70/937690370.db2.gz XTDSMSLYXGTJGF-UHFFFAOYSA-N 1 0 295.126 1.054 20 5 CDBDRO CSCC(C)(C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000934669983 933965693 /nfs/dbraw/zinc/96/56/93/933965693.db2.gz OHZAACUPZBVZCY-UHFFFAOYSA-N 1 0 285.369 1.488 20 5 CDBDRO Cc1nn(CN2CCC[N@@H+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000779858800 934754661 /nfs/dbraw/zinc/75/46/61/934754661.db2.gz FWWBIFATJRMROF-UHFFFAOYSA-N 1 0 281.360 1.473 20 5 CDBDRO Cc1nccn1-c1ccccc1C[NH2+]CC[N+](=O)[O-] ZINC001120472073 937801650 /nfs/dbraw/zinc/80/16/50/937801650.db2.gz BQJXMNYSTZTMCC-UHFFFAOYSA-N 1 0 260.297 1.547 20 5 CDBDRO C[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC001120488456 937802905 /nfs/dbraw/zinc/80/29/05/937802905.db2.gz BLHNWOZNLFEMOY-RISCZKNCSA-N 1 0 281.356 1.416 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](CO)CC2CC2)cc1 ZINC001120493462 937803410 /nfs/dbraw/zinc/80/34/10/937803410.db2.gz WKQVXPREPDZXIF-GXTWGEPZSA-N 1 0 280.324 1.379 20 5 CDBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cn(C)nn1 ZINC000720576174 935195935 /nfs/dbraw/zinc/19/59/35/935195935.db2.gz UBFGNOHAWFZBBN-JTQLQIEISA-N 1 0 275.312 1.617 20 5 CDBDRO CC[N@@H+]1CCN(c2cc(N)c([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC001120931660 937848066 /nfs/dbraw/zinc/84/80/66/937848066.db2.gz JPURQRUYJFFOSR-VIFPVBQESA-N 1 0 265.317 1.102 20 5 CDBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001156749080 938413948 /nfs/dbraw/zinc/41/39/48/938413948.db2.gz PZXITTZWNUUYQV-SECBINFHSA-N 1 0 295.343 1.032 20 5 CDBDRO Cc1nc(N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001157260009 938470298 /nfs/dbraw/zinc/47/02/98/938470298.db2.gz GVWHTVALOWNLJO-YPMHNXCESA-N 1 0 276.340 1.829 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c(N)n3)C[C@H]21 ZINC001157271579 938473760 /nfs/dbraw/zinc/47/37/60/938473760.db2.gz ISZPRACTMZXEQQ-MWLCHTKSSA-N 1 0 277.328 1.102 20 5 CDBDRO Cc1cccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001157760292 938541592 /nfs/dbraw/zinc/54/15/92/938541592.db2.gz ATRHAOYTDLHOHH-ZIAGYGMSSA-N 1 0 291.351 1.256 20 5 CDBDRO CCC1(Nc2nccc(Cl)c2[N+](=O)[O-])C[NH2+]C1 ZINC001157777885 938544621 /nfs/dbraw/zinc/54/46/21/938544621.db2.gz YDPGLTIFQHHULZ-UHFFFAOYSA-N 1 0 256.693 1.807 20 5 CDBDRO CCOc1nc(NC2(CC)C[NH2+]C2)ccc1[N+](=O)[O-] ZINC001157785185 938545464 /nfs/dbraw/zinc/54/54/64/938545464.db2.gz UHUBNJGNYQCYFY-UHFFFAOYSA-N 1 0 266.301 1.552 20 5 CDBDRO CCN(c1cc(N)c([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]C1 ZINC001158204594 938594567 /nfs/dbraw/zinc/59/45/67/938594567.db2.gz HAUJCGNQADVVJG-VIFPVBQESA-N 1 0 265.317 1.150 20 5 CDBDRO CC(C)Oc1nc(N2CC[N@@H+]3CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC001158430663 938623941 /nfs/dbraw/zinc/62/39/41/938623941.db2.gz ICGGISIPIKJYHQ-NSHDSACASA-N 1 0 292.339 1.671 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(NCC[C@H]2CCC[NH2+]2)n1 ZINC001158627112 938643504 /nfs/dbraw/zinc/64/35/04/938643504.db2.gz FFYWJZSIGIMGPZ-SECBINFHSA-N 1 0 281.316 1.256 20 5 CDBDRO C[C@]1(C[NH3+])CCCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001158676272 938649289 /nfs/dbraw/zinc/64/92/89/938649289.db2.gz ZTCXBCIXUFTBBN-GFCCVEGCSA-N 1 0 295.299 1.463 20 5 CDBDRO C[C@@]1(C[NH3+])CCCN(c2ccc([N+](=O)[O-])c(N)n2)C1 ZINC001158679263 938649945 /nfs/dbraw/zinc/64/99/45/938649945.db2.gz SQLRFELLLSKIRH-LBPRGKRZSA-N 1 0 265.317 1.137 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC001159042652 938695979 /nfs/dbraw/zinc/69/59/79/938695979.db2.gz IMCKJRRXQUGRKJ-SNVBAGLBSA-N 1 0 288.307 1.543 20 5 CDBDRO [NH3+]CCc1cc2ccccc2n1-c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001160125023 938769853 /nfs/dbraw/zinc/76/98/53/938769853.db2.gz RTGVGECXLMEZOT-UHFFFAOYSA-N 1 0 298.302 1.673 20 5 CDBDRO Cc1cnc(-n2c(C[NH3+])nc3cnccc32)c([N+](=O)[O-])c1 ZINC001162214505 938962280 /nfs/dbraw/zinc/96/22/80/938962280.db2.gz IDJCFTQMUGEPNL-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO [NH3+]Cc1cn(-c2cc([N+](=O)[O-])cc3cc[nH]c32)cn1 ZINC001162302020 938975061 /nfs/dbraw/zinc/97/50/61/938975061.db2.gz HUDPIYXLPZEYFX-UHFFFAOYSA-N 1 0 257.253 1.721 20 5 CDBDRO C[C@@]1([NH3+])C[C@H](Nc2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001162328326 939024486 /nfs/dbraw/zinc/02/44/86/939024486.db2.gz NUVZPZXNWCJITC-KTLJEJPDSA-N 1 0 273.296 1.830 20 5 CDBDRO COc1ccnc(NC[C@]2(F)CCCC[NH2+]C2)c1[N+](=O)[O-] ZINC001162578973 939091838 /nfs/dbraw/zinc/09/18/38/939091838.db2.gz BSCJBACRPCWLAL-ZDUSSCGKSA-N 1 0 298.318 1.892 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001162798917 939144899 /nfs/dbraw/zinc/14/48/99/939144899.db2.gz VVXITURIFYEZIN-FKTZTGRPSA-N 1 0 296.714 1.068 20 5 CDBDRO [NH3+][C@H]1COC[C@H]1Nc1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001162917932 939160893 /nfs/dbraw/zinc/16/08/93/939160893.db2.gz ZIDOHUCMSSMZES-NKWVEPMBSA-N 1 0 299.718 1.054 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)nc1NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001163153663 939214970 /nfs/dbraw/zinc/21/49/70/939214970.db2.gz GTJJQDDYSNHGDW-UFBFGSQYSA-N 1 0 298.730 1.291 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])cc1N[C@H]1C[NH2+]Cc2ccsc21 ZINC001163230050 939229942 /nfs/dbraw/zinc/22/99/42/939229942.db2.gz UBQAKTCUNDPJKZ-VIFPVBQESA-N 1 0 292.320 1.546 20 5 CDBDRO COc1nc(C)c(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC001163262951 939235205 /nfs/dbraw/zinc/23/52/05/939235205.db2.gz RKKPXMHENIJURC-VWYCJHECSA-N 1 0 292.339 1.717 20 5 CDBDRO O=[N+]([O-])c1ncccc1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163323955 939247158 /nfs/dbraw/zinc/24/71/58/939247158.db2.gz QHPZFIZYRDLDCN-GXFFZTMASA-N 1 0 278.312 1.313 20 5 CDBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@H](C)C[NH+](C)C ZINC001163786471 939330920 /nfs/dbraw/zinc/33/09/20/939330920.db2.gz ODCANIJSOQIUEV-MRVPVSSYSA-N 1 0 282.300 1.138 20 5 CDBDRO COc1c(F)cc(-n2nc(C[NH3+])cc2C)cc1[N+](=O)[O-] ZINC001163985357 939372709 /nfs/dbraw/zinc/37/27/09/939372709.db2.gz NQPYYRJMCYLPIE-UHFFFAOYSA-N 1 0 280.259 1.695 20 5 CDBDRO O=[N+]([O-])c1ccc2c(ccnc2-n2cnc3c2C[NH2+]CC3)c1 ZINC001164317192 939454032 /nfs/dbraw/zinc/45/40/32/939454032.db2.gz OLVINQVJALIBTP-UHFFFAOYSA-N 1 0 295.302 1.974 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[NH+](C(C)(C)C)CC1 ZINC001165091483 939508935 /nfs/dbraw/zinc/50/89/35/939508935.db2.gz RDNISOYHROAXSQ-UHFFFAOYSA-N 1 0 294.355 1.457 20 5 CDBDRO CCOc1nc(N2CCC[C@@H]3[NH2+]C[C@H]32)ccc1[N+](=O)[O-] ZINC001165395204 939558441 /nfs/dbraw/zinc/55/84/41/939558441.db2.gz UHCZPXKFARKQEY-GXSJLCMTSA-N 1 0 278.312 1.329 20 5 CDBDRO [NH3+]C1([C@@H]2CN(c3ncc(F)cc3[N+](=O)[O-])C[C@@H]2CF)CC1 ZINC001165434052 939564706 /nfs/dbraw/zinc/56/47/06/939564706.db2.gz YDYXTKIYBLGAQU-WCBMZHEXSA-N 1 0 298.293 1.642 20 5 CDBDRO [NH3+]C1([C@@H]2CN(c3ncc(F)cc3[N+](=O)[O-])C[C@H]2CF)CC1 ZINC001165434048 939564876 /nfs/dbraw/zinc/56/48/76/939564876.db2.gz YDYXTKIYBLGAQU-PSASIEDQSA-N 1 0 298.293 1.642 20 5 CDBDRO COCc1nn(-c2nccc(C)c2[N+](=O)[O-])c2c1C[NH2+]C2 ZINC001165632847 939572878 /nfs/dbraw/zinc/57/28/78/939572878.db2.gz ZZJMSQZOHXIPCO-UHFFFAOYSA-N 1 0 289.295 1.234 20 5 CDBDRO COc1cccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001210029907 940658571 /nfs/dbraw/zinc/65/85/71/940658571.db2.gz AXVMOMYEZRSRRF-CYBMUJFWSA-N 1 0 282.360 1.196 20 5 CDBDRO COC(=O)c1cc(O[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC001218182933 941043038 /nfs/dbraw/zinc/04/30/38/941043038.db2.gz LCFWQSQKLAAWAI-JTQLQIEISA-N 1 0 266.253 1.122 20 5 CDBDRO CSc1ccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001222228994 941576233 /nfs/dbraw/zinc/57/62/33/941576233.db2.gz ZFGOROXUTYHODI-CYBMUJFWSA-N 1 0 298.428 1.909 20 5 CDBDRO COC(=O)c1ccc(CO[C@H](C)C[N+](C)(C)C)o1 ZINC001222782575 941634193 /nfs/dbraw/zinc/63/41/93/941634193.db2.gz LRHQNSJXYDMUGW-SNVBAGLBSA-N 1 0 256.322 1.678 20 5 CDBDRO COc1ccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)cc1C ZINC001223510975 941682878 /nfs/dbraw/zinc/68/28/78/941682878.db2.gz UUTRWEQICQTHEH-CQSZACIVSA-N 1 0 296.387 1.504 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCc1ccccc1S(C)(=O)=O ZINC001223716060 941693665 /nfs/dbraw/zinc/69/36/65/941693665.db2.gz VRNGZAUQWWNEPC-LBPRGKRZSA-N 1 0 286.417 1.701 20 5 CDBDRO O=c1cc[nH]c(O[C@@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001225665469 941896116 /nfs/dbraw/zinc/89/61/16/941896116.db2.gz AHGGMGAORDLZMA-SNVBAGLBSA-N 1 0 265.269 1.168 20 5 CDBDRO CC(=O)Nc1ncccc1O[C@H](C)C[N+](C)(C)C ZINC001226150964 941958050 /nfs/dbraw/zinc/95/80/50/941958050.db2.gz NJYCEQVFWFYDKK-SNVBAGLBSA-O 1 0 252.338 1.514 20 5 CDBDRO C[C@H](C[NH+](C)C)Oc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001226437016 942004707 /nfs/dbraw/zinc/00/47/07/942004707.db2.gz RIPXERPFWSYFEO-SECBINFHSA-N 1 0 276.296 1.867 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2ccc[n+]([O-])c21 ZINC001227004068 942113822 /nfs/dbraw/zinc/11/38/22/942113822.db2.gz KPKVKSWLPCCDNW-GFCCVEGCSA-N 1 0 261.345 1.947 20 5 CDBDRO COCCC[NH+]1CCC(Oc2cncc([N+](=O)[O-])c2)CC1 ZINC001227990926 942253760 /nfs/dbraw/zinc/25/37/60/942253760.db2.gz SOAMGDSQWFTBLS-UHFFFAOYSA-N 1 0 295.339 1.870 20 5 CDBDRO CC[NH+](CC)C[C@H](C)Oc1ncncc1[N+](=O)[O-] ZINC001228658538 942349906 /nfs/dbraw/zinc/34/99/06/942349906.db2.gz XUZAVPIGPVJTSM-VIFPVBQESA-N 1 0 254.290 1.494 20 5 CDBDRO Cc1cc2[nH]c(O[C@H]3CC[N@@H+](C)C3)nc2cc1[N+](=O)[O-] ZINC001228672484 942353696 /nfs/dbraw/zinc/35/36/96/942353696.db2.gz VXCLEJYJYNAMSW-VIFPVBQESA-N 1 0 276.296 1.862 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2O)C1 ZINC001229397502 942464737 /nfs/dbraw/zinc/46/47/37/942464737.db2.gz JHVMCTGCYYTUFL-SNVBAGLBSA-N 1 0 252.270 1.773 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cccn2c(=O)ccnc12 ZINC001229928649 942554766 /nfs/dbraw/zinc/55/47/66/942554766.db2.gz DLICWKWPDRFWAA-LLVKDONJSA-N 1 0 262.333 1.168 20 5 CDBDRO CCOC(=O)c1cccnc1O[C@@H](C)C[N+](C)(C)C ZINC001234619546 943917337 /nfs/dbraw/zinc/91/73/37/943917337.db2.gz XZOFKRHMHJVLNO-NSHDSACASA-N 1 0 267.349 1.732 20 5 CDBDRO CCC[C@@](C)(O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001262565298 946715174 /nfs/dbraw/zinc/71/51/74/946715174.db2.gz HVEQBULGBLGULI-UONOGXRCSA-N 1 0 282.340 1.769 20 5 CDBDRO CC(C)[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(N)=O ZINC001254538381 947515614 /nfs/dbraw/zinc/51/56/14/947515614.db2.gz UEEMDTOFNRXLRE-GWCFXTLKSA-N 1 0 279.340 1.625 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C=CS(=O)(=O)C1 ZINC001254535137 947516675 /nfs/dbraw/zinc/51/66/75/947516675.db2.gz HNPLKYHLGBATJA-CMPLNLGQSA-N 1 0 296.348 1.426 20 5 CDBDRO CC[C@H](O)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573100 947530544 /nfs/dbraw/zinc/53/05/44/947530544.db2.gz WQJVKIDPNDWYNH-YPMHNXCESA-N 1 0 250.298 1.423 20 5 CDBDRO CC1(C)OCC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CO1 ZINC001254576091 947535838 /nfs/dbraw/zinc/53/58/38/947535838.db2.gz URVHSPBPWADMEC-GFCCVEGCSA-N 1 0 292.335 1.803 20 5 CDBDRO CN1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1=O ZINC001254597993 947545354 /nfs/dbraw/zinc/54/53/54/947545354.db2.gz FXYHDVLDKYIHOQ-CQSZACIVSA-N 1 0 289.335 1.226 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@@H](CO)C1)C2 ZINC001254597883 947547554 /nfs/dbraw/zinc/54/75/54/947547554.db2.gz IRNCDBHGFAWPHX-ABAIWWIYSA-N 1 0 276.336 1.766 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC(O)CC1)C2 ZINC001254600258 947549129 /nfs/dbraw/zinc/54/91/29/947549129.db2.gz ROOUYSPRYIZIKP-ZDUSSCGKSA-N 1 0 262.309 1.519 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N[C@@H]1C[NH2+]CC[C@H]1F)C2 ZINC001246497519 948209818 /nfs/dbraw/zinc/20/98/18/948209818.db2.gz NOUPEKWVSKPZRZ-IACUBPJLSA-N 1 0 279.315 1.352 20 5 CDBDRO O=[N+]([O-])c1cc(F)cc(OCCN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC001326147057 954235140 /nfs/dbraw/zinc/23/51/40/954235140.db2.gz JMSBFHXDKGULJW-BETUJISGSA-N 1 0 296.298 1.976 20 5 CDBDRO [NH3+][C@H](CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001326339833 954332014 /nfs/dbraw/zinc/33/20/14/954332014.db2.gz FFWJRLGMHDWVEW-CYBMUJFWSA-N 1 0 275.308 1.564 20 5 CDBDRO O=C(C[NH2+]CC1CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329281887 955796790 /nfs/dbraw/zinc/79/67/90/955796790.db2.gz JDRSEJHEOQXXSS-UHFFFAOYSA-N 1 0 275.308 1.437 20 5 CDBDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC001320463380 959185915 /nfs/dbraw/zinc/18/59/15/959185915.db2.gz ULKIKGAFZSUNCD-MNOVXSKESA-N 1 0 265.317 1.670 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N1CC[NH+](CC2CC2)CC1 ZINC001320898171 959449470 /nfs/dbraw/zinc/44/94/70/959449470.db2.gz KZTRKDRINURDPB-UHFFFAOYSA-N 1 0 276.340 1.830 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCC(F)F ZINC001335954253 960121041 /nfs/dbraw/zinc/12/10/41/960121041.db2.gz LWRQCRQQCVQGBW-SECBINFHSA-N 1 0 290.266 1.579 20 5 CDBDRO Nc1cc(N2CC[C@H]([NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC001336513746 960376520 /nfs/dbraw/zinc/37/65/20/960376520.db2.gz LLVRUNWRZGYRBR-JTQLQIEISA-N 1 0 277.328 1.247 20 5 CDBDRO CC[NH2+]CCCNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001338625823 961916486 /nfs/dbraw/zinc/91/64/86/961916486.db2.gz SMEFWFORBHMFMU-LLVKDONJSA-N 1 0 294.355 1.955 20 5 CDBDRO Nc1cc(N2CCC[C@H]([NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC001339537241 962411186 /nfs/dbraw/zinc/41/11/86/962411186.db2.gz YKMVCSXUDDAUGM-NSHDSACASA-N 1 0 291.355 1.637 20 5 CDBDRO Cc1cc(NC(=O)[C@H]([NH3+])C2CCC2)cc([N+](=O)[O-])c1 ZINC001342243954 963684791 /nfs/dbraw/zinc/68/47/91/963684791.db2.gz XUSAIZHNLJCSCG-GFCCVEGCSA-N 1 0 263.297 1.969 20 5 CDBDRO CC[NH+](CC)CC[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC001348898104 966224450 /nfs/dbraw/zinc/22/44/50/966224450.db2.gz FJQOEMYCPKFRSP-NSHDSACASA-N 1 0 297.359 1.028 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CC23CCOCC3)c1 ZINC001353340002 967911198 /nfs/dbraw/zinc/91/11/98/967911198.db2.gz LTQDCEDBXJEZNQ-UONOGXRCSA-N 1 0 292.335 1.787 20 5 CDBDRO C[C@@H](COC(=O)Cn1cc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000847961615 968429334 /nfs/dbraw/zinc/42/93/34/968429334.db2.gz ZJFAYKDVNPAZFC-NSHDSACASA-N 1 0 296.327 1.209 20 5 CDBDRO C[C@H](COC(=O)c1cc([N+](=O)[O-])cn1C)[NH+]1CCCCC1 ZINC000847959196 968430720 /nfs/dbraw/zinc/43/07/20/968430720.db2.gz GHSWMFUNXAZAPS-LLVKDONJSA-N 1 0 295.339 1.965 20 5 CDBDRO O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001357968981 969673152 /nfs/dbraw/zinc/67/31/52/969673152.db2.gz BIFSAJCOAICCCZ-DEQVHRJGSA-N 1 0 287.319 1.271 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001576005314 1171311331 /nfs/dbraw/zinc/31/13/31/1171311331.db2.gz LKRJXQJLLYLKJO-SSDOTTSWSA-N 1 0 270.264 1.545 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cnc(C3CC3)o2)c1 ZINC000600143039 341979655 /nfs/dbraw/zinc/97/96/55/341979655.db2.gz VPTKNHGVBCSYMM-UHFFFAOYSA-N 1 0 277.284 1.447 20 5 CDBDRO C[C@@H]1CC[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000300325152 342466746 /nfs/dbraw/zinc/46/67/46/342466746.db2.gz KDYMUNHXCSHPPK-MDZLAQPJSA-N 1 0 282.344 1.178 20 5 CDBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000618396281 349453502 /nfs/dbraw/zinc/45/35/02/349453502.db2.gz HCAPEAXJZUSUGM-UHFFFAOYSA-N 1 0 292.339 1.527 20 5 CDBDRO C[NH+](C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000589102011 342496852 /nfs/dbraw/zinc/49/68/52/342496852.db2.gz TZTCNKQFPCZXLX-JTQLQIEISA-N 1 0 290.323 1.477 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000590141899 342522673 /nfs/dbraw/zinc/52/26/73/342522673.db2.gz HDHCBVQCLGGZBP-CYBMUJFWSA-N 1 0 279.344 1.250 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601327669 342554297 /nfs/dbraw/zinc/55/42/97/342554297.db2.gz VJGGDCARDBMUHE-JQWIXIFHSA-N 1 0 263.297 1.150 20 5 CDBDRO C[C@H]1[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])CCC[N@@H+]1C ZINC000342834858 361750940 /nfs/dbraw/zinc/75/09/40/361750940.db2.gz LARPUCXNTJGFJV-GXSJLCMTSA-N 1 0 292.339 1.588 20 5 CDBDRO O=[N+]([O-])c1ccsc1NC[C@H]1CCC[N@H+]1CCCO ZINC000590707666 342585064 /nfs/dbraw/zinc/58/50/64/342585064.db2.gz RMGOWIMPYUIBFE-SNVBAGLBSA-N 1 0 285.369 1.915 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000609287804 342100406 /nfs/dbraw/zinc/10/04/06/342100406.db2.gz URNYDRMYERNFDY-JTQLQIEISA-N 1 0 279.344 1.757 20 5 CDBDRO Cc1ccc(NC(=O)NC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000591270305 342623628 /nfs/dbraw/zinc/62/36/28/342623628.db2.gz AWJLUGXVQFXISF-MRVPVSSYSA-N 1 0 252.274 1.372 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591298960 342624496 /nfs/dbraw/zinc/62/44/96/342624496.db2.gz NGZFQZRKNZBQHM-ZWNOBZJWSA-N 1 0 290.323 1.811 20 5 CDBDRO O=[N+]([O-])c1ccsc1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591439442 342632071 /nfs/dbraw/zinc/63/20/71/342632071.db2.gz VDIFDYOLEAQZFE-IUCAKERBSA-N 1 0 253.327 1.845 20 5 CDBDRO CO[C@@H](C)CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591734233 342644628 /nfs/dbraw/zinc/64/46/28/342644628.db2.gz KTTTZJMCVGZCSO-NWDGAFQWSA-N 1 0 298.339 1.349 20 5 CDBDRO CC[C@@H](NC(=O)[C@H](C[NH3+])OC)c1cccc([N+](=O)[O-])c1 ZINC000289835541 361836123 /nfs/dbraw/zinc/83/61/23/361836123.db2.gz DVISPQBFWXPYRG-NEPJUHHUSA-N 1 0 281.312 1.136 20 5 CDBDRO CNc1ccc(C(=O)NC[C@@H](C)C[NH2+]C)cc1[N+](=O)[O-] ZINC000592297117 342684215 /nfs/dbraw/zinc/68/42/15/342684215.db2.gz MNKBJBBTEXTBBU-VIFPVBQESA-N 1 0 280.328 1.222 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCC[C@H]2F)c1 ZINC000573238209 361856007 /nfs/dbraw/zinc/85/60/07/361856007.db2.gz UHYQDXATVVOHME-YUTCNCBUSA-N 1 0 298.314 1.815 20 5 CDBDRO COc1ccc(CNC(=O)CCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000592505448 342706435 /nfs/dbraw/zinc/70/64/35/342706435.db2.gz SLIRYJOJZJLZGH-UHFFFAOYSA-N 1 0 295.339 1.737 20 5 CDBDRO C[C@@H]1[C@H](C(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000592755377 342729315 /nfs/dbraw/zinc/72/93/15/342729315.db2.gz UOSRMRKNIPNXJG-ZWNOBZJWSA-N 1 0 277.324 1.551 20 5 CDBDRO CC(C)[NH2+]CCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000573251065 361889798 /nfs/dbraw/zinc/88/97/98/361889798.db2.gz UOSYINCPQMVERQ-UHFFFAOYSA-N 1 0 277.324 1.872 20 5 CDBDRO C[C@H](CCO)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000593109994 342769573 /nfs/dbraw/zinc/76/95/73/342769573.db2.gz PTVZEGQQYOQZIK-LLVKDONJSA-N 1 0 268.313 1.676 20 5 CDBDRO Cc1cccc(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)c1[N+](=O)[O-] ZINC000322439741 342185810 /nfs/dbraw/zinc/18/58/10/342185810.db2.gz RNWOOGZNEWBWIZ-XYPYZODXSA-N 1 0 277.324 1.903 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@]2(O)CCCOC2)c1 ZINC000593691298 342823378 /nfs/dbraw/zinc/82/33/78/342823378.db2.gz VROFVCWHRGNUPE-CQSZACIVSA-N 1 0 280.324 1.616 20 5 CDBDRO COc1ccc(C[NH2+]CCc2cncn2C)cc1[N+](=O)[O-] ZINC000401803923 342831646 /nfs/dbraw/zinc/83/16/46/342831646.db2.gz OYZUCIOYIVZYDZ-UHFFFAOYSA-N 1 0 290.323 1.669 20 5 CDBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])n[nH]1 ZINC000594417708 342902931 /nfs/dbraw/zinc/90/29/31/342902931.db2.gz FENLUEFNKXDNAH-MWLCHTKSSA-N 1 0 293.327 1.065 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609384253 342267919 /nfs/dbraw/zinc/26/79/19/342267919.db2.gz AUGPKYGADVZGFR-SNVBAGLBSA-N 1 0 265.317 1.225 20 5 CDBDRO C[C@H](C[NH3+])n1cc(COc2ccccc2[N+](=O)[O-])nn1 ZINC000594652894 342933909 /nfs/dbraw/zinc/93/39/09/342933909.db2.gz QEKOIMJDRWHBIE-SECBINFHSA-N 1 0 277.284 1.285 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH+](C2CCCC2)CC1 ZINC000045032765 342276815 /nfs/dbraw/zinc/27/68/15/342276815.db2.gz JYUURGJSDASUAO-UHFFFAOYSA-N 1 0 292.339 1.623 20 5 CDBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1(CO)CC1 ZINC000594970355 342991738 /nfs/dbraw/zinc/99/17/38/342991738.db2.gz ZBUFULIKKAWECF-SECBINFHSA-N 1 0 268.288 1.985 20 5 CDBDRO C[C@H]1CC[NH2+][C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000126075043 187215537 /nfs/dbraw/zinc/21/55/37/187215537.db2.gz RQNCPBXJPYYTSS-CABZTGNLSA-N 1 0 263.297 1.921 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000595232894 343016682 /nfs/dbraw/zinc/01/66/82/343016682.db2.gz DBSQSDMTIULZIA-VIFPVBQESA-N 1 0 266.301 1.633 20 5 CDBDRO C[N@@H+]1CC[C@]2(C1)CCCN(CCn1ccc([N+](=O)[O-])n1)C2 ZINC000595507747 343080140 /nfs/dbraw/zinc/08/01/40/343080140.db2.gz QCNHGQJFORKOHK-AWEZNQCLSA-N 1 0 293.371 1.209 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000235721022 362041248 /nfs/dbraw/zinc/04/12/48/362041248.db2.gz AMABNEPWOBLJBC-CMPLNLGQSA-N 1 0 277.324 1.774 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000515174515 362084596 /nfs/dbraw/zinc/08/45/96/362084596.db2.gz QAQKLCRKLWKRAZ-UHFFFAOYSA-N 1 0 295.295 1.053 20 5 CDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000600966656 342354867 /nfs/dbraw/zinc/35/48/67/342354867.db2.gz RYJPFPVHINBXTB-LBPRGKRZSA-N 1 0 280.328 1.003 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000595932999 343185130 /nfs/dbraw/zinc/18/51/30/343185130.db2.gz FXXRFXWIGYJYCG-UHFFFAOYSA-N 1 0 279.340 1.723 20 5 CDBDRO C[C@@H]1CCCN(c2ccc(N)c([N+](=O)[O-])n2)[C@@H]1CC[NH3+] ZINC000596014567 343218812 /nfs/dbraw/zinc/21/88/12/343218812.db2.gz QUDWFKVZBDHELI-MWLCHTKSSA-N 1 0 279.344 1.526 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000120471040 362119728 /nfs/dbraw/zinc/11/97/28/362119728.db2.gz NXCYJTZANGXROD-UHFFFAOYSA-N 1 0 292.339 1.461 20 5 CDBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[NH+](C)C ZINC000596077240 343226923 /nfs/dbraw/zinc/22/69/23/343226923.db2.gz RWLGUFOLFWWODN-MRVPVSSYSA-N 1 0 266.301 1.056 20 5 CDBDRO Nc1ccc(N2CCC[C@H](n3ccnc3)C2)nc1[N+](=O)[O-] ZINC000596112902 343230296 /nfs/dbraw/zinc/23/02/96/343230296.db2.gz WLINABVNKUWCCD-JTQLQIEISA-N 1 0 288.311 1.610 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596090387 343234005 /nfs/dbraw/zinc/23/40/05/343234005.db2.gz CWVABCRJNRHDCD-SNVBAGLBSA-N 1 0 278.312 1.200 20 5 CDBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@@H+]1C ZINC000596147433 343244011 /nfs/dbraw/zinc/24/40/11/343244011.db2.gz WYZWOTHNRQFWAQ-ONGXEEELSA-N 1 0 292.339 1.588 20 5 CDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000596244760 343285860 /nfs/dbraw/zinc/28/58/60/343285860.db2.gz RIWBMLDEEKZIEG-GZMMTYOYSA-N 1 0 268.292 1.658 20 5 CDBDRO C[C@@H](CCNc1ncnc2cccc([N+](=O)[O-])c21)[NH+](C)C ZINC000596431015 343319210 /nfs/dbraw/zinc/31/92/10/343319210.db2.gz MHUSEZSALFMGQA-JTQLQIEISA-N 1 0 289.339 1.712 20 5 CDBDRO COC(=O)c1cnc(NCC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596427187 343311995 /nfs/dbraw/zinc/31/19/95/343311995.db2.gz AYRRTFFHVWLQIV-SECBINFHSA-N 1 0 296.327 1.529 20 5 CDBDRO COc1cc(N2CCC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000118296731 342429402 /nfs/dbraw/zinc/42/94/02/342429402.db2.gz OOYFUTSFDZMQQZ-UHFFFAOYSA-N 1 0 265.313 1.745 20 5 CDBDRO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])o1)[NH+](C)C ZINC000597996594 343684683 /nfs/dbraw/zinc/68/46/83/343684683.db2.gz JWKIQJGHJITPKC-QMMMGPOBSA-N 1 0 255.274 1.258 20 5 CDBDRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000598681956 343864340 /nfs/dbraw/zinc/86/43/40/343864340.db2.gz KIKGDMXQOOBFKI-TZMCWYRMSA-N 1 0 261.325 1.908 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915780 343920021 /nfs/dbraw/zinc/92/00/21/343920021.db2.gz OPQFJUQEWKGVFV-ZETCQYMHSA-N 1 0 270.264 1.593 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000599084816 343950839 /nfs/dbraw/zinc/95/08/39/343950839.db2.gz YSWJLJAOBKHFDV-IMRBUKKESA-N 1 0 299.334 1.534 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(SCC[NH+](C)C)n1 ZINC000166900527 362309495 /nfs/dbraw/zinc/30/94/95/362309495.db2.gz VPHDYZGNMOVSRY-UHFFFAOYSA-N 1 0 285.325 1.430 20 5 CDBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC000252773058 344078911 /nfs/dbraw/zinc/07/89/11/344078911.db2.gz JFMFWNFROJRSJG-BFHYXJOUSA-N 1 0 280.324 1.877 20 5 CDBDRO CN(CCOCC[NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000599584634 344093296 /nfs/dbraw/zinc/09/32/96/344093296.db2.gz BIJASUKIQMHVGZ-UHFFFAOYSA-N 1 0 282.300 1.034 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)C[C@H]21 ZINC000599988360 344160449 /nfs/dbraw/zinc/16/04/49/344160449.db2.gz AQLJXFHCUJUFDV-JZYVYDRUSA-N 1 0 281.337 1.288 20 5 CDBDRO C[NH2+]CCCNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000418074898 529968842 /nfs/dbraw/zinc/96/88/42/529968842.db2.gz DJYSYZMHJIFDIW-UHFFFAOYSA-N 1 0 280.328 1.312 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602428238 344422329 /nfs/dbraw/zinc/42/23/29/344422329.db2.gz IGWXLGCAPSOAGI-VIFPVBQESA-N 1 0 281.287 1.415 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000602595418 344502453 /nfs/dbraw/zinc/50/24/53/344502453.db2.gz IJCHULPEQHHMGM-SFYZADRCSA-N 1 0 267.260 1.296 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000602597421 344502980 /nfs/dbraw/zinc/50/29/80/344502980.db2.gz CMTPHDLTVNNIJI-MWLCHTKSSA-N 1 0 263.297 1.085 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602589250 344479172 /nfs/dbraw/zinc/47/91/72/344479172.db2.gz REXOCIJQYAGRCK-UWVGGRQHSA-N 1 0 261.281 1.090 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000602594676 344485452 /nfs/dbraw/zinc/48/54/52/344485452.db2.gz CBXSYSNJOPFIQO-GXSJLCMTSA-N 1 0 263.297 1.085 20 5 CDBDRO CO[C@H]1COCC[C@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602676422 344525439 /nfs/dbraw/zinc/52/54/39/344525439.db2.gz PKJFCAWTNYVJPQ-ZFWWWQNUSA-N 1 0 294.351 1.778 20 5 CDBDRO CCOC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C(C)C ZINC000602830109 344613861 /nfs/dbraw/zinc/61/38/61/344613861.db2.gz KLIDIQJQAQWZFE-GFCCVEGCSA-N 1 0 284.360 1.750 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000602846352 344623779 /nfs/dbraw/zinc/62/37/79/344623779.db2.gz OQSZBZGEKZAANI-JQWIXIFHSA-N 1 0 282.344 1.193 20 5 CDBDRO Cc1ccc(C(=O)N[C@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000319980180 345052167 /nfs/dbraw/zinc/05/21/67/345052167.db2.gz DMMBYPHEGUZDDN-VHSXEESVSA-N 1 0 265.313 1.759 20 5 CDBDRO Nc1ccc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000293358612 362548071 /nfs/dbraw/zinc/54/80/71/362548071.db2.gz KHHJKEFSWOVSDC-JQWIXIFHSA-N 1 0 290.323 1.001 20 5 CDBDRO C[NH+](C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000344189495 362549607 /nfs/dbraw/zinc/54/96/07/362549607.db2.gz NWXUJQDMWHVBEE-CYBMUJFWSA-N 1 0 295.314 1.804 20 5 CDBDRO Cc1cc(C(=O)NC[C@H]([NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000129214812 362539358 /nfs/dbraw/zinc/53/93/58/362539358.db2.gz YUXWVZIEMFTYKH-NSHDSACASA-N 1 0 263.297 1.370 20 5 CDBDRO C[C@]1(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000230734180 345442054 /nfs/dbraw/zinc/44/20/54/345442054.db2.gz YABSGXWGCKVOJP-ZDUSSCGKSA-N 1 0 263.297 1.006 20 5 CDBDRO CN(CCCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000610111797 346193564 /nfs/dbraw/zinc/19/35/64/346193564.db2.gz FOKVXAIGGUJDQP-UHFFFAOYSA-N 1 0 269.301 1.602 20 5 CDBDRO CC(C)[NH2+][C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000610447939 346284058 /nfs/dbraw/zinc/28/40/58/346284058.db2.gz NVZDOMJEWKIERN-LBPRGKRZSA-N 1 0 281.360 1.254 20 5 CDBDRO C[C@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000539529369 282460769 /nfs/dbraw/zinc/46/07/69/282460769.db2.gz OXPNSVPEMOHYAX-OKPNEXGHSA-N 1 0 298.364 1.631 20 5 CDBDRO CC(C)(C)[C@@H](C[NH3+])NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420373907 535041219 /nfs/dbraw/zinc/04/12/19/535041219.db2.gz ZPAXLGIVQMEXEA-GFCCVEGCSA-N 1 0 294.355 1.496 20 5 CDBDRO CC[N@@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611091913 346605212 /nfs/dbraw/zinc/60/52/12/346605212.db2.gz COJCQJBOACNXGQ-CYBMUJFWSA-N 1 0 293.367 2.000 20 5 CDBDRO COc1ccc(C[NH2+][C@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000611108192 346610533 /nfs/dbraw/zinc/61/05/33/346610533.db2.gz BYRJKEQUYKYOEB-LBPRGKRZSA-N 1 0 280.324 1.854 20 5 CDBDRO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000611259092 346723541 /nfs/dbraw/zinc/72/35/41/346723541.db2.gz LRFDASNKTYLFFO-RISCZKNCSA-N 1 0 280.324 1.676 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(c2ncccc2[N+](=O)[O-])C[C@@H]1C ZINC000611222045 346696532 /nfs/dbraw/zinc/69/65/32/346696532.db2.gz PWKFTLDEXJTQJU-QWRGUYRKSA-N 1 0 264.329 1.909 20 5 CDBDRO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[C@@H]1[NH3+] ZINC000122507366 347651502 /nfs/dbraw/zinc/65/15/02/347651502.db2.gz SWSSQHFNJBTDBU-IUCAKERBSA-N 1 0 267.285 1.387 20 5 CDBDRO CC[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000122513960 347652145 /nfs/dbraw/zinc/65/21/45/347652145.db2.gz FTQQGZMYVOFILI-OCCSQVGLSA-N 1 0 291.351 1.723 20 5 CDBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[C@H]1[NH3+] ZINC000122541451 347654688 /nfs/dbraw/zinc/65/46/88/347654688.db2.gz LTDYNGWDYWWJIZ-WCBMZHEXSA-N 1 0 266.301 1.122 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+](C)C)c1 ZINC000054455783 347822835 /nfs/dbraw/zinc/82/28/35/347822835.db2.gz ZJDYXYRPWCYNCT-UHFFFAOYSA-N 1 0 297.380 1.998 20 5 CDBDRO Cc1c(C(=O)N[C@@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000087383464 179418072 /nfs/dbraw/zinc/41/80/72/179418072.db2.gz SKEDHAYCARTSPG-NSHDSACASA-N 1 0 263.297 1.370 20 5 CDBDRO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1CO ZINC000615455830 348514478 /nfs/dbraw/zinc/51/44/78/348514478.db2.gz IRVWJSPFABWVAH-CABZTGNLSA-N 1 0 291.307 1.939 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000089091278 179699074 /nfs/dbraw/zinc/69/90/74/179699074.db2.gz LUXPDHBCMOWKHS-RCDMQAKVSA-N 1 0 289.335 1.852 20 5 CDBDRO CCCNC(=O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293701987 362932344 /nfs/dbraw/zinc/93/23/44/362932344.db2.gz LKCHXSGJMDATSX-SECBINFHSA-N 1 0 280.328 1.354 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)CC1CC1 ZINC000064516820 348942627 /nfs/dbraw/zinc/94/26/27/348942627.db2.gz MMKHXFTXXRHALT-UHFFFAOYSA-N 1 0 280.324 1.808 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccno3)C2)nc1 ZINC000072665109 349128224 /nfs/dbraw/zinc/12/82/24/349128224.db2.gz QCSUHUBCBONIPJ-JTQLQIEISA-N 1 0 289.295 1.664 20 5 CDBDRO C[C@H](CNc1c([N+](=O)[O-])ncn1C)[N@@H+]1CCC[C@H](C)C1 ZINC000251585980 350165461 /nfs/dbraw/zinc/16/54/61/350165461.db2.gz BEGCHLDNZJIGMX-WDEREUQCSA-N 1 0 281.360 1.861 20 5 CDBDRO Cc1c(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000091548073 180187695 /nfs/dbraw/zinc/18/76/95/180187695.db2.gz SEHGOEKEYQYIFJ-ZJUUUORDSA-N 1 0 263.297 1.969 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000092133466 180331277 /nfs/dbraw/zinc/33/12/77/180331277.db2.gz AUVHBOUQAADBBB-MRVPVSSYSA-N 1 0 251.286 1.697 20 5 CDBDRO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000564964900 293471999 /nfs/dbraw/zinc/47/19/99/293471999.db2.gz DYGCUCJWQJRBHM-NJZAAPMLSA-N 1 0 294.351 1.919 20 5 CDBDRO CC[N@H+](C)C[C@@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000515666276 362956421 /nfs/dbraw/zinc/95/64/21/362956421.db2.gz VIQQAGWMGLLTJA-OAHLLOKOSA-N 1 0 293.367 1.266 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000295156920 199377251 /nfs/dbraw/zinc/37/72/51/199377251.db2.gz DGGAECBXDKREPM-SNVBAGLBSA-N 1 0 280.328 1.250 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCOC1 ZINC000109546867 186261772 /nfs/dbraw/zinc/26/17/72/186261772.db2.gz HRAHRRADVBQUIU-NSHDSACASA-N 1 0 266.297 1.872 20 5 CDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1F ZINC000110795964 186324963 /nfs/dbraw/zinc/32/49/63/186324963.db2.gz NXBXGMYCDUDBMM-SECBINFHSA-N 1 0 281.287 1.463 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000311968138 350735228 /nfs/dbraw/zinc/73/52/28/350735228.db2.gz OOLMFEUGEATZKU-SECBINFHSA-N 1 0 265.317 1.468 20 5 CDBDRO C[NH+]1CCC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000378339437 282735284 /nfs/dbraw/zinc/73/52/84/282735284.db2.gz XBXKRGFZCCJEPI-UHFFFAOYSA-N 1 0 293.327 1.018 20 5 CDBDRO Cc1c[nH]nc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000291601582 198046899 /nfs/dbraw/zinc/04/68/99/198046899.db2.gz QMFZYQUOHDKSBN-UHFFFAOYSA-N 1 0 275.312 1.592 20 5 CDBDRO C[C@@H]1CC[C@@H]([N@H+](CCO)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000351628260 366056815 /nfs/dbraw/zinc/05/68/15/366056815.db2.gz LUNCFKARVJTYDY-VXGBXAGGSA-N 1 0 282.344 1.274 20 5 CDBDRO C[C@H](CCCC[NH3+])NC(=O)c1ccccc1[N+](=O)[O-] ZINC000292039260 198142489 /nfs/dbraw/zinc/14/24/89/198142489.db2.gz HZKKAVXKIGMKJF-SNVBAGLBSA-N 1 0 265.313 1.842 20 5 CDBDRO C[N@@H+](CCc1ccccn1)CCn1ccc([N+](=O)[O-])n1 ZINC000153103834 188065379 /nfs/dbraw/zinc/06/53/79/188065379.db2.gz MTJYBVLZNBYTQK-UHFFFAOYSA-N 1 0 275.312 1.361 20 5 CDBDRO COC(=O)c1cc(NC(=O)[C@@H]([NH3+])C(C)C)cc([N+](=O)[O-])c1 ZINC000153825359 188106242 /nfs/dbraw/zinc/10/62/42/188106242.db2.gz QJGQFRGFHREWFY-NSHDSACASA-N 1 0 295.295 1.303 20 5 CDBDRO CC(C)(C)[N@@H+](CC(N)=O)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154475553 188144171 /nfs/dbraw/zinc/14/41/71/188144171.db2.gz LGGLMVKNBQUSCT-GFCCVEGCSA-N 1 0 295.339 1.214 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000157564799 188324941 /nfs/dbraw/zinc/32/49/41/188324941.db2.gz SLWCQQACEGJFJD-MFKMUULPSA-N 1 0 293.323 1.217 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000295186867 199394001 /nfs/dbraw/zinc/39/40/01/199394001.db2.gz IHDLURZAFCKCKW-LLVKDONJSA-N 1 0 279.340 1.726 20 5 CDBDRO C[C@@H](NC(=O)[C@H]1CCC[C@H]1[NH3+])c1ccccc1[N+](=O)[O-] ZINC001579413021 1172169749 /nfs/dbraw/zinc/16/97/49/1172169749.db2.gz MCSZPDDYHCZZPE-ADEWGFFLSA-N 1 0 277.324 1.899 20 5 CDBDRO C[C@H](Cn1cccn1)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000264398239 366195551 /nfs/dbraw/zinc/19/55/51/366195551.db2.gz UMGDNDTXYUHTJA-GFCCVEGCSA-N 1 0 290.323 1.848 20 5 CDBDRO COC(=O)c1cc(C)nc(N[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000286241852 356235695 /nfs/dbraw/zinc/23/56/95/356235695.db2.gz BUKGDPDPNRGICG-VIFPVBQESA-N 1 0 296.327 1.447 20 5 CDBDRO CC(C)(O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336789746 356262075 /nfs/dbraw/zinc/26/20/75/356262075.db2.gz JWPSRZNQRXHBED-UHFFFAOYSA-N 1 0 256.277 1.985 20 5 CDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000286283949 356244501 /nfs/dbraw/zinc/24/45/01/356244501.db2.gz VWIKMHKDSROIQB-JTQLQIEISA-N 1 0 295.343 1.122 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000163378006 356545922 /nfs/dbraw/zinc/54/59/22/356545922.db2.gz CCMDIJDIUXPFFM-ONGXEEELSA-N 1 0 263.297 1.404 20 5 CDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC2(C[NH2+]C2)C1 ZINC001579537429 1172207660 /nfs/dbraw/zinc/20/76/60/1172207660.db2.gz RHINGBWLHMPENY-UHFFFAOYSA-N 1 0 279.271 1.088 20 5 CDBDRO CC[NH+](CC)CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000048558221 357190657 /nfs/dbraw/zinc/19/06/57/357190657.db2.gz SBSNDXVBQRMSAD-UHFFFAOYSA-N 1 0 265.313 1.553 20 5 CDBDRO [NH3+][C@H]1C[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000566246641 357439489 /nfs/dbraw/zinc/43/94/89/357439489.db2.gz HPTYJTWWEUKUHM-AOOOYVTPSA-N 1 0 261.281 1.221 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCN2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000360551179 357446633 /nfs/dbraw/zinc/44/66/33/357446633.db2.gz KRLFYLKBSNRJMI-HNNXBMFYSA-N 1 0 291.351 1.659 20 5 CDBDRO CC(C)(CC(N)=O)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000186235223 357627841 /nfs/dbraw/zinc/62/78/41/357627841.db2.gz OZUKRIDIWILVEQ-UHFFFAOYSA-N 1 0 281.312 1.217 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000186808836 357694588 /nfs/dbraw/zinc/69/45/88/357694588.db2.gz JGXKTADBCHBLKO-UHFFFAOYSA-N 1 0 292.339 1.343 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C1CC1)[NH+](C)C ZINC000360910707 357742151 /nfs/dbraw/zinc/74/21/51/357742151.db2.gz XQQFNBGCXYPANH-LLVKDONJSA-N 1 0 281.360 1.872 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135230730 357799382 /nfs/dbraw/zinc/79/93/82/357799382.db2.gz IDBDFCBREQBLAT-JTQLQIEISA-N 1 0 265.313 1.109 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000135216319 357782659 /nfs/dbraw/zinc/78/26/59/357782659.db2.gz YFRQYBHDJSBATP-LLVKDONJSA-N 1 0 263.297 1.385 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CCC[NH+]1CCCCC1 ZINC000187655636 357790679 /nfs/dbraw/zinc/79/06/79/357790679.db2.gz HBHPIDBHBFTAHS-UHFFFAOYSA-N 1 0 265.313 1.633 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000188736809 357932320 /nfs/dbraw/zinc/93/23/20/357932320.db2.gz TUMYAAKZHWEYIM-CYBMUJFWSA-N 1 0 293.367 1.402 20 5 CDBDRO C[C@@H]1C[C@H](O)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337472545 358047626 /nfs/dbraw/zinc/04/76/26/358047626.db2.gz QKINOSKFXXZLFU-MNOVXSKESA-N 1 0 293.323 1.379 20 5 CDBDRO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000361663360 358410863 /nfs/dbraw/zinc/41/08/63/358410863.db2.gz UCJXVNAEDVYOTG-CMPLNLGQSA-N 1 0 250.298 1.655 20 5 CDBDRO CCN(CC[NH3+])CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000600720431 358704946 /nfs/dbraw/zinc/70/49/46/358704946.db2.gz POLMPJGFVPKPRV-UHFFFAOYSA-N 1 0 283.328 1.263 20 5 CDBDRO C[C@]1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000567664109 358717920 /nfs/dbraw/zinc/71/79/20/358717920.db2.gz XNQVCCPBSOTHFX-CQSZACIVSA-N 1 0 277.324 1.396 20 5 CDBDRO Cc1cccc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1[N+](=O)[O-] ZINC000186718372 358817158 /nfs/dbraw/zinc/81/71/58/358817158.db2.gz CEPRXYCIFOWHSG-SKDRFNHKSA-N 1 0 277.324 1.631 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000186753555 358821680 /nfs/dbraw/zinc/82/16/80/358821680.db2.gz WYCCYXQRCXKSAO-JOYOIKCWSA-N 1 0 277.324 1.631 20 5 CDBDRO CC[C@@H](C)[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000451833339 359083345 /nfs/dbraw/zinc/08/33/45/359083345.db2.gz CUTMLGUAXYPYDH-GFCCVEGCSA-N 1 0 281.360 1.207 20 5 CDBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000342578906 359119652 /nfs/dbraw/zinc/11/96/52/359119652.db2.gz WORJGTXTPMOHNT-SNVBAGLBSA-N 1 0 282.344 1.773 20 5 CDBDRO Cc1c(C[NH+]2CCC(O)(CO)CC2)cccc1[N+](=O)[O-] ZINC000313630939 359151145 /nfs/dbraw/zinc/15/11/45/359151145.db2.gz PRVQASSYUDITHR-UHFFFAOYSA-N 1 0 280.324 1.222 20 5 CDBDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000048335487 359200187 /nfs/dbraw/zinc/20/01/87/359200187.db2.gz UODODWGFXBQRNT-JTQLQIEISA-N 1 0 296.323 1.844 20 5 CDBDRO COc1ccc(CNC(=O)[C@@H]2CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000570038831 359274045 /nfs/dbraw/zinc/27/40/45/359274045.db2.gz KMASGZFQMWAVGY-GXSJLCMTSA-N 1 0 293.323 1.218 20 5 CDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](O)CC2)c([N+](=O)[O-])c1 ZINC000339779805 359437671 /nfs/dbraw/zinc/43/76/71/359437671.db2.gz HDHWFLWRHBLPTR-GFCCVEGCSA-N 1 0 293.323 1.041 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000339804509 359448353 /nfs/dbraw/zinc/44/83/53/359448353.db2.gz QTZHBWPVTMICSO-JTQLQIEISA-N 1 0 282.344 1.393 20 5 CDBDRO C[C@H]([NH2+]CC(=O)N1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000296800803 200000580 /nfs/dbraw/zinc/00/05/80/200000580.db2.gz UCZFHFIXPARKDS-JTQLQIEISA-N 1 0 263.297 1.478 20 5 CDBDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000049956423 359526829 /nfs/dbraw/zinc/52/68/29/359526829.db2.gz CFKDKGDEVZERLK-UHFFFAOYSA-N 1 0 294.355 1.495 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1OC[C@@H]1CC[NH2+]C1 ZINC000051890674 359980433 /nfs/dbraw/zinc/98/04/33/359980433.db2.gz OXFHYFZNTMWRIE-SECBINFHSA-N 1 0 252.270 1.592 20 5 CDBDRO C[C@@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000062853127 360012070 /nfs/dbraw/zinc/01/20/70/360012070.db2.gz LGKLKKIMAYHUTP-CYBMUJFWSA-N 1 0 263.297 1.923 20 5 CDBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235375050 360066216 /nfs/dbraw/zinc/06/62/16/360066216.db2.gz AQNXCJJIPLGKIY-NXEZZACHSA-N 1 0 299.352 1.014 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@]2(O)CCSC2)cs1 ZINC000176752859 189007309 /nfs/dbraw/zinc/00/73/09/189007309.db2.gz BINNDFLTEXYGQO-JTQLQIEISA-N 1 0 274.367 1.614 20 5 CDBDRO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000385884266 360464001 /nfs/dbraw/zinc/46/40/01/360464001.db2.gz LSLWHURGSNHYGH-GXSJLCMTSA-N 1 0 268.288 1.937 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000238047075 360712769 /nfs/dbraw/zinc/71/27/69/360712769.db2.gz GZMWUUBHBUGPCD-SECBINFHSA-N 1 0 294.267 1.066 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000358127445 360785005 /nfs/dbraw/zinc/78/50/05/360785005.db2.gz HHWPXHZDJDHXBC-VIFPVBQESA-N 1 0 269.301 1.646 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H]2CO)c1 ZINC000178857783 189150872 /nfs/dbraw/zinc/15/08/72/189150872.db2.gz IECOTFYYDJRBAZ-OLZOCXBDSA-N 1 0 266.297 1.085 20 5 CDBDRO C[C@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000178859705 189151260 /nfs/dbraw/zinc/15/12/60/189151260.db2.gz MSUHNRIEZGIZMP-FZMZJTMJSA-N 1 0 280.324 1.739 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C[N@@H+]1C1CC1 ZINC000177154633 238274641 /nfs/dbraw/zinc/27/46/41/238274641.db2.gz KWDGFXBPMGUIQY-IUCAKERBSA-N 1 0 279.296 1.543 20 5 CDBDRO COc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)cc1[N+](=O)[O-] ZINC000168368303 361166746 /nfs/dbraw/zinc/16/67/46/361166746.db2.gz CLIFASQEWXSLJQ-ZYHUDNBSSA-N 1 0 280.324 1.806 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000129380975 283637830 /nfs/dbraw/zinc/63/78/30/283637830.db2.gz USUUWMZUMLLXAF-ZETCQYMHSA-N 1 0 269.688 1.421 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)C[C@@H]21 ZINC000408472091 361233602 /nfs/dbraw/zinc/23/36/02/361233602.db2.gz YVKOAVNYSNNQPP-SCZZXKLOSA-N 1 0 281.337 1.432 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000572716120 361605327 /nfs/dbraw/zinc/60/53/27/361605327.db2.gz XWVKNONUCAWSEK-ZDUSSCGKSA-N 1 0 293.367 2.000 20 5 CDBDRO CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CC([NH3+])C1 ZINC000295203060 239298316 /nfs/dbraw/zinc/29/83/16/239298316.db2.gz KKVFMNDGJTUMIX-QPJJXVBHSA-N 1 0 275.308 1.556 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCCF)C2)nc1 ZINC000137513295 363996388 /nfs/dbraw/zinc/99/63/88/363996388.db2.gz HKILZZPNEWTQJU-SNVBAGLBSA-N 1 0 268.292 1.836 20 5 CDBDRO C[C@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000545397650 364073150 /nfs/dbraw/zinc/07/31/50/364073150.db2.gz QYIJHWVVUUIUBO-CYBMUJFWSA-N 1 0 250.298 1.942 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000582241566 364077219 /nfs/dbraw/zinc/07/72/19/364077219.db2.gz YKNQLMGMDPJHQZ-YUMQZZPRSA-N 1 0 284.291 1.981 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[NH2+]C2)c1 ZINC000088147743 364259487 /nfs/dbraw/zinc/25/94/87/364259487.db2.gz AEYSSFQNWRGUSR-JTQLQIEISA-N 1 0 263.297 1.337 20 5 CDBDRO C[C@H]1SCC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000174868134 364587154 /nfs/dbraw/zinc/58/71/54/364587154.db2.gz ZBIWJGSJGKGXFB-VHSXEESVSA-N 1 0 270.358 1.617 20 5 CDBDRO COC(=O)[C@@H](C)C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000175159503 364630846 /nfs/dbraw/zinc/63/08/46/364630846.db2.gz JYQIDRILUARVDY-JTQLQIEISA-N 1 0 296.327 1.065 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCO)C2CCOCC2)c(F)c1 ZINC000275480733 193053837 /nfs/dbraw/zinc/05/38/37/193053837.db2.gz DSQDZBVYGBKHIX-UHFFFAOYSA-N 1 0 298.314 1.707 20 5 CDBDRO C[C@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000270452955 366884220 /nfs/dbraw/zinc/88/42/20/366884220.db2.gz CVWINMZRFJIMLK-JTQLQIEISA-N 1 0 278.230 1.998 20 5 CDBDRO C[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251716183 366873937 /nfs/dbraw/zinc/87/39/37/366873937.db2.gz JRNUASKNQIOYMR-WCBMZHEXSA-N 1 0 253.277 1.907 20 5 CDBDRO COc1ccc(CN(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000270498932 366890695 /nfs/dbraw/zinc/89/06/95/366890695.db2.gz HSAHUIOVJDANSJ-UHFFFAOYSA-N 1 0 267.329 1.597 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000414562932 241259609 /nfs/dbraw/zinc/25/96/09/241259609.db2.gz UEWPTQQVNWRRON-KGLIPLIRSA-N 1 0 294.351 1.780 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000414659044 241305202 /nfs/dbraw/zinc/30/52/02/241305202.db2.gz MLIVKLHKKOPRQT-VIFPVBQESA-N 1 0 266.301 1.762 20 5 CDBDRO Cc1nc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ncc1[N+](=O)[O-] ZINC000297442932 367246949 /nfs/dbraw/zinc/24/69/49/367246949.db2.gz ITXSBYHGBBFFBR-NEPJUHHUSA-N 1 0 291.355 1.614 20 5 CDBDRO COc1ccc(NC(=O)NC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000415437603 241683129 /nfs/dbraw/zinc/68/31/29/241683129.db2.gz KTJLMKJGSJGDCF-UHFFFAOYSA-N 1 0 294.311 1.477 20 5 CDBDRO C[C@@H](NC(=O)N1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000417147105 242336838 /nfs/dbraw/zinc/33/68/38/242336838.db2.gz ZBGDTERDZASAFC-SNVBAGLBSA-N 1 0 278.312 1.271 20 5 CDBDRO C[C@H](O)[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000272546611 367760145 /nfs/dbraw/zinc/76/01/45/367760145.db2.gz KEURAKIQVVMUHW-RYUDHWBXSA-N 1 0 280.324 1.676 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CC3)CC2)nc1 ZINC000301112607 367819097 /nfs/dbraw/zinc/81/90/97/367819097.db2.gz WIONBYSVVCVQMN-UHFFFAOYSA-N 1 0 262.313 1.522 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000418540745 243194914 /nfs/dbraw/zinc/19/49/14/243194914.db2.gz GTKVEUTZZFNXHS-LLVKDONJSA-N 1 0 294.355 1.516 20 5 CDBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330660678 203090108 /nfs/dbraw/zinc/09/01/08/203090108.db2.gz QYONVYIAOVNYRB-DMDPSCGWSA-N 1 0 282.344 1.415 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000330894470 203361966 /nfs/dbraw/zinc/36/19/66/203361966.db2.gz FISFNFVPXZSOEA-DGCLKSJQSA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@H]([NH2+]CCS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000037740715 370036013 /nfs/dbraw/zinc/03/60/13/370036013.db2.gz NTTORRTWYTZIKY-VIFPVBQESA-N 1 0 272.326 1.290 20 5 CDBDRO CN(C)C(=O)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000037751705 370055756 /nfs/dbraw/zinc/05/57/56/370055756.db2.gz PFUAAEJFXKSOIU-UHFFFAOYSA-N 1 0 251.286 1.163 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NCCN1CC[NH+](C)CC1 ZINC000037760130 370078245 /nfs/dbraw/zinc/07/82/45/370078245.db2.gz PJFNMKQEOWSHFE-UHFFFAOYSA-N 1 0 278.356 1.563 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000299287075 370272339 /nfs/dbraw/zinc/27/23/39/370272339.db2.gz XWLCSNRPZYYFNE-UHFFFAOYSA-N 1 0 257.315 1.338 20 5 CDBDRO CC[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000129934693 370444270 /nfs/dbraw/zinc/44/42/70/370444270.db2.gz GEPTUQAKWJGOFS-UHFFFAOYSA-N 1 0 280.328 1.385 20 5 CDBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000414845465 370591067 /nfs/dbraw/zinc/59/10/67/370591067.db2.gz LZBIFUYFHZQPDB-JTQLQIEISA-N 1 0 253.277 1.576 20 5 CDBDRO Cc1c(C(=O)NCCCC[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000272901451 372328419 /nfs/dbraw/zinc/32/84/19/372328419.db2.gz CCTYMBSWUIIGDJ-UHFFFAOYSA-N 1 0 296.283 1.280 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1C[C@@H](O)C[C@H]1CO ZINC000186531163 373159014 /nfs/dbraw/zinc/15/90/14/373159014.db2.gz LSXPJOVPKZYPNH-QWRGUYRKSA-N 1 0 286.715 1.176 20 5 CDBDRO C[C@]1(O)CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269637989 373243402 /nfs/dbraw/zinc/24/34/02/373243402.db2.gz HYOSVBUZWVVLDA-STQMWFEESA-N 1 0 266.297 1.085 20 5 CDBDRO COC[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269650357 373292059 /nfs/dbraw/zinc/29/20/59/373292059.db2.gz MDHIVELCRARXIN-FZMZJTMJSA-N 1 0 280.324 1.597 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCC[NH2+]C1 ZINC000037810223 373400971 /nfs/dbraw/zinc/40/09/71/373400971.db2.gz SJGCLECKSATMAP-NSHDSACASA-N 1 0 277.324 1.553 20 5 CDBDRO CC[NH+]1CCC(N(C)c2ncccc2[N+](=O)[O-])CC1 ZINC000301285187 373480020 /nfs/dbraw/zinc/48/00/20/373480020.db2.gz RGHSNEUPSZVBEL-UHFFFAOYSA-N 1 0 264.329 1.910 20 5 CDBDRO C[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000298368691 373513970 /nfs/dbraw/zinc/51/39/70/373513970.db2.gz SZPXRWAEPSVVOM-NSHDSACASA-N 1 0 294.355 1.463 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000441615292 373718364 /nfs/dbraw/zinc/71/83/64/373718364.db2.gz RLGAUAMOYCNLJN-QMMMGPOBSA-N 1 0 285.731 1.502 20 5 CDBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)COC)cc1[N+](=O)[O-] ZINC000153856920 374094283 /nfs/dbraw/zinc/09/42/83/374094283.db2.gz RFXVBXQSBOKIPR-PWSUYJOCSA-N 1 0 298.339 1.651 20 5 CDBDRO CCC[NH2+][C@H](C)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000423726342 246006663 /nfs/dbraw/zinc/00/66/63/246006663.db2.gz PSNLYLQUHHYBHA-SECBINFHSA-N 1 0 281.312 1.930 20 5 CDBDRO COCC[C@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000547395741 374159851 /nfs/dbraw/zinc/15/98/51/374159851.db2.gz NIXQQDCYEHOXLO-NWDGAFQWSA-N 1 0 282.340 1.951 20 5 CDBDRO CC[NH2+]CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000151346762 374202260 /nfs/dbraw/zinc/20/22/60/374202260.db2.gz BBHXWNKHSGEQKT-UHFFFAOYSA-N 1 0 280.328 1.123 20 5 CDBDRO C[NH2+][C@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420158704 374289166 /nfs/dbraw/zinc/28/91/66/374289166.db2.gz HUGVATNVYXKRJK-JTQLQIEISA-N 1 0 289.295 1.443 20 5 CDBDRO C[C@H](NC[C@H]1C[NH2+]CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000423500869 374385415 /nfs/dbraw/zinc/38/54/15/374385415.db2.gz DCIACILLTGYZSC-SMDDNHRTSA-N 1 0 279.340 1.624 20 5 CDBDRO C[C@@H](NC[C@@H]1C[NH2+]CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423487763 374386791 /nfs/dbraw/zinc/38/67/91/374386791.db2.gz XTXNJEOAVMXHCS-RISCZKNCSA-N 1 0 278.356 1.149 20 5 CDBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CNCCO2)cccc1[N+](=O)[O-] ZINC000423531725 374388176 /nfs/dbraw/zinc/38/81/76/374388176.db2.gz YOGNKLSCOWBVQP-VXGBXAGGSA-N 1 0 279.340 1.542 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[NH2+]1 ZINC000423850532 246145271 /nfs/dbraw/zinc/14/52/71/246145271.db2.gz QVIJPGMFVBWWCC-LLVKDONJSA-N 1 0 283.715 1.616 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[NH2+]CC1 ZINC000226458750 374696203 /nfs/dbraw/zinc/69/62/03/374696203.db2.gz NPXXISFARRYCSD-SNVBAGLBSA-N 1 0 278.312 1.858 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000070174916 374655086 /nfs/dbraw/zinc/65/50/86/374655086.db2.gz UGQFEWQEGZPDIZ-RKDXNWHRSA-N 1 0 295.368 1.868 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000070447222 374662835 /nfs/dbraw/zinc/66/28/35/374662835.db2.gz PDKWTWHUEXOPAM-SECBINFHSA-N 1 0 285.731 1.961 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000274411010 374674052 /nfs/dbraw/zinc/67/40/52/374674052.db2.gz CBBIJDACXFOSGP-JTQLQIEISA-N 1 0 281.312 1.790 20 5 CDBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093898971 374791145 /nfs/dbraw/zinc/79/11/45/374791145.db2.gz VLKQIGHLFMJVOY-LLVKDONJSA-N 1 0 279.340 1.717 20 5 CDBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331017402 374879812 /nfs/dbraw/zinc/87/98/12/374879812.db2.gz VOUHVPAGMGBSGC-GHMZBOCLSA-N 1 0 252.318 1.912 20 5 CDBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1[NH+](C)C ZINC000332665155 375040811 /nfs/dbraw/zinc/04/08/11/375040811.db2.gz PPPBGFPXTZUZCG-MNOVXSKESA-N 1 0 298.368 1.041 20 5 CDBDRO CS(=O)(=O)c1cccc(NCCCC[NH3+])c1[N+](=O)[O-] ZINC000137950415 375247728 /nfs/dbraw/zinc/24/77/28/375247728.db2.gz WKPZDTRFNIBMEO-UHFFFAOYSA-N 1 0 287.341 1.149 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[N@H+](CCO)C(C)(C)C1 ZINC000302559067 375215584 /nfs/dbraw/zinc/21/55/84/375215584.db2.gz SUDDOTHENNZNJI-UHFFFAOYSA-N 1 0 294.355 1.191 20 5 CDBDRO [NH3+]CC[C@@H](NC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C(F)F ZINC000383437305 375267602 /nfs/dbraw/zinc/26/76/02/375267602.db2.gz DSAWYBJRLDRLEE-DOGVGXBMSA-N 1 0 299.277 1.707 20 5 CDBDRO C[C@@H]([NH2+]C[C@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293877669 375358059 /nfs/dbraw/zinc/35/80/59/375358059.db2.gz VIEDDUBUCUZZOS-NXEZZACHSA-N 1 0 265.313 1.864 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000131859907 375368338 /nfs/dbraw/zinc/36/83/38/375368338.db2.gz KWOWOGOYRWZOFL-MNOVXSKESA-N 1 0 277.324 1.713 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)O ZINC000344824228 375532142 /nfs/dbraw/zinc/53/21/42/375532142.db2.gz YFYFQSFWSZDDLW-CDCCAWJDSA-N 1 0 250.298 1.969 20 5 CDBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000132698513 375570639 /nfs/dbraw/zinc/57/06/39/375570639.db2.gz ZDKACUMPBZXFPO-JTQLQIEISA-N 1 0 267.260 1.168 20 5 CDBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000353159212 375582144 /nfs/dbraw/zinc/58/21/44/375582144.db2.gz XLMIWYNIDSILSQ-QWRGUYRKSA-N 1 0 286.353 1.940 20 5 CDBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)CC1(O)CCC1 ZINC000353472360 375614416 /nfs/dbraw/zinc/61/44/16/375614416.db2.gz TVSIHNQBGUNPJR-UHFFFAOYSA-N 1 0 250.298 1.942 20 5 CDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000344921186 375658376 /nfs/dbraw/zinc/65/83/76/375658376.db2.gz NWVNUMGPHZQBCS-JTQLQIEISA-N 1 0 292.339 1.343 20 5 CDBDRO C[C@H](O)CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000354728716 375746316 /nfs/dbraw/zinc/74/63/16/375746316.db2.gz IHLWJUSZDZHNPE-NWDGAFQWSA-N 1 0 294.355 1.637 20 5 CDBDRO [NH3+]CCCCc1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000228372141 375753626 /nfs/dbraw/zinc/75/36/26/375753626.db2.gz COAXBRLVAHYESQ-UHFFFAOYSA-N 1 0 261.285 1.457 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C1CC[NH2+]CC1 ZINC000428296575 247277315 /nfs/dbraw/zinc/27/73/15/247277315.db2.gz QBRPZRVUGWGCLA-UHFFFAOYSA-N 1 0 278.312 1.122 20 5 CDBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 ZINC000294228993 375801147 /nfs/dbraw/zinc/80/11/47/375801147.db2.gz RKCNIRNQAFWPCT-CQSZACIVSA-N 1 0 293.323 1.746 20 5 CDBDRO C[C@@](C[NH3+])(NC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000133734776 375819513 /nfs/dbraw/zinc/81/95/13/375819513.db2.gz PCPFYVJCMSAWGK-ZDUSSCGKSA-N 1 0 278.312 1.844 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCCN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357090201 375883459 /nfs/dbraw/zinc/88/34/59/375883459.db2.gz ZWTACKXNDVMEPD-CHWSQXEVSA-N 1 0 291.351 1.515 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000357290619 375896420 /nfs/dbraw/zinc/89/64/20/375896420.db2.gz CYFLFKKXTWMTMV-IYYTYJHQSA-N 1 0 292.339 1.415 20 5 CDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C(=O)N(C)C ZINC000357830685 375935715 /nfs/dbraw/zinc/93/57/15/375935715.db2.gz FGEHLWWQUFOUJH-VXGBXAGGSA-N 1 0 293.367 1.982 20 5 CDBDRO C[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+](C)C ZINC000294244690 376007754 /nfs/dbraw/zinc/00/77/54/376007754.db2.gz FPOOMKCWVJYTLU-MRVPVSSYSA-N 1 0 285.731 1.928 20 5 CDBDRO CC1(C)CN(CC[NH2+]Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000171767069 377003649 /nfs/dbraw/zinc/00/36/49/377003649.db2.gz QYIGSDPLCGENIZ-UHFFFAOYSA-N 1 0 293.367 1.795 20 5 CDBDRO COCC[C@](C)(O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000172072140 377239847 /nfs/dbraw/zinc/23/98/47/377239847.db2.gz IMCHNPUUEFSIPQ-ZKKXHLJNSA-N 1 0 294.351 1.985 20 5 CDBDRO [NH3+][C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000129174272 377377200 /nfs/dbraw/zinc/37/72/00/377377200.db2.gz DVGZXENBNLNMAV-SSDOTTSWSA-N 1 0 255.299 1.123 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1(CO)CCCC1 ZINC000053044761 377637276 /nfs/dbraw/zinc/63/72/76/377637276.db2.gz KAUNQATUTKMHPK-UHFFFAOYSA-N 1 0 250.298 1.990 20 5 CDBDRO CC1(C)C[NH+](CCn2cc([N+](=O)[O-])cn2)CC(C)(C)O1 ZINC000190565458 377879826 /nfs/dbraw/zinc/87/98/26/377879826.db2.gz BMWLGONREXSRDP-UHFFFAOYSA-N 1 0 282.344 1.681 20 5 CDBDRO Cc1nc(N[C@H](C)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000357548520 378191854 /nfs/dbraw/zinc/19/18/54/378191854.db2.gz NYRPDBABXXIMQG-SNVBAGLBSA-N 1 0 266.345 1.861 20 5 CDBDRO CCOC[C@H](O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447538392 250384104 /nfs/dbraw/zinc/38/41/04/250384104.db2.gz BXISFNQHQXYXFI-HIFRSBDPSA-N 1 0 294.351 1.959 20 5 CDBDRO C[C@@H](CO)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447580319 250389568 /nfs/dbraw/zinc/38/95/68/250389568.db2.gz NUYTVSIOYCPITI-DCAQKATOSA-N 1 0 268.317 1.245 20 5 CDBDRO C[C@H](CO)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129398066 781968382 /nfs/dbraw/zinc/96/83/82/781968382.db2.gz MYGMONMMGAMPTD-SECBINFHSA-N 1 0 299.302 1.375 20 5 CDBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(=O)NC ZINC000449773502 251012787 /nfs/dbraw/zinc/01/27/87/251012787.db2.gz KDZUXPLHNHIHMJ-NSHDSACASA-N 1 0 265.313 1.517 20 5 CDBDRO CO[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000453157836 252278695 /nfs/dbraw/zinc/27/86/95/252278695.db2.gz HKIJBMRNCGBDDI-VXGBXAGGSA-N 1 0 280.328 1.339 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000453429241 252318233 /nfs/dbraw/zinc/31/82/33/252318233.db2.gz QFWRUVSHDSYSJL-XHDPSFHLSA-N 1 0 291.351 1.784 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493773309 253552147 /nfs/dbraw/zinc/55/21/47/253552147.db2.gz AOIZNAGKYOGXJQ-LVCFMKKZSA-N 1 0 281.287 1.458 20 5 CDBDRO COCCOCC[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000289096699 197234075 /nfs/dbraw/zinc/23/40/75/197234075.db2.gz UXKRDHRITAKQMS-UHFFFAOYSA-N 1 0 298.339 1.568 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@H]([NH+]3CCCC3)C2)s1 ZINC000190324290 285176988 /nfs/dbraw/zinc/17/69/88/285176988.db2.gz MYFLUEQVIBEMSA-VIFPVBQESA-N 1 0 268.342 1.726 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877764732 781977984 /nfs/dbraw/zinc/97/79/84/781977984.db2.gz NJKRPXSNADXYOE-VDKLAZJHSA-N 1 0 292.335 1.141 20 5 CDBDRO C[C@H]1C[N@H+](CCCNc2c([N+](=O)[O-])ncn2C)CCCO1 ZINC000432879202 390493360 /nfs/dbraw/zinc/49/33/60/390493360.db2.gz KKCVNCLZIRKGGS-NSHDSACASA-N 1 0 297.359 1.241 20 5 CDBDRO Cc1nc(N(C)CC[C@@H]([NH3+])C(C)C)ncc1[N+](=O)[O-] ZINC000420207366 390577167 /nfs/dbraw/zinc/57/71/67/390577167.db2.gz QNMQBGGGCXHYPM-SNVBAGLBSA-N 1 0 267.333 1.503 20 5 CDBDRO COC[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000452043054 390663028 /nfs/dbraw/zinc/66/30/28/390663028.db2.gz USSPINOZZAYCKW-ZDUSSCGKSA-N 1 0 295.339 1.257 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000262816423 390942244 /nfs/dbraw/zinc/94/22/44/390942244.db2.gz PCVVYDWXQDHOTQ-GZMMTYOYSA-N 1 0 297.742 1.976 20 5 CDBDRO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[NH+]1CCCCC1 ZINC000515734048 390959396 /nfs/dbraw/zinc/95/93/96/390959396.db2.gz JFNVHJILWFDNCA-UHFFFAOYSA-N 1 0 294.355 1.917 20 5 CDBDRO O=C(CC[N@@H+](CCO)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411168128 390966154 /nfs/dbraw/zinc/96/61/54/390966154.db2.gz PQQQPEGVTJGIQP-UHFFFAOYSA-N 1 0 293.323 1.380 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000148861876 390982295 /nfs/dbraw/zinc/98/22/95/390982295.db2.gz GTUHXWRIABHKAL-ZETCQYMHSA-N 1 0 257.315 1.242 20 5 CDBDRO CSc1ccc(C(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000159412994 391052078 /nfs/dbraw/zinc/05/20/78/391052078.db2.gz OBKPBGLVLMOIFK-UHFFFAOYSA-N 1 0 281.337 1.362 20 5 CDBDRO C[NH+](C)CC(C)(C)Nc1ncc([N+](=O)[O-])cc1F ZINC000413353204 391205077 /nfs/dbraw/zinc/20/50/77/391205077.db2.gz FANZLDBKWXUTGT-UHFFFAOYSA-N 1 0 256.281 1.881 20 5 CDBDRO CCc1nn(C)c(N2CC[C@@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000366112792 391340674 /nfs/dbraw/zinc/34/06/74/391340674.db2.gz RBTAMKHJFBSPEP-CQSZACIVSA-N 1 0 293.371 1.423 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415377395 391376383 /nfs/dbraw/zinc/37/63/83/391376383.db2.gz AQALFSBOVZYJJS-UWVGGRQHSA-N 1 0 293.327 1.051 20 5 CDBDRO Cc1c([C@@H](C)[NH2+]CCOCCO)cccc1[N+](=O)[O-] ZINC000159137713 391449932 /nfs/dbraw/zinc/44/99/32/391449932.db2.gz PWDSFFPFEXGXHN-LLVKDONJSA-N 1 0 268.313 1.563 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]C1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415628430 391469631 /nfs/dbraw/zinc/46/96/31/391469631.db2.gz FIZHGBITMGZODI-VIFPVBQESA-N 1 0 296.302 1.855 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[NH+](C)C ZINC000294270174 391516951 /nfs/dbraw/zinc/51/69/51/391516951.db2.gz HBTUTSPXPFSRSV-SNVBAGLBSA-N 1 0 295.339 1.673 20 5 CDBDRO CC[C@H](C)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296172229 391519963 /nfs/dbraw/zinc/51/99/63/391519963.db2.gz ZNWLLOWPIVQWQZ-NSHDSACASA-N 1 0 264.329 1.910 20 5 CDBDRO C[C@H]1[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343542653 391634195 /nfs/dbraw/zinc/63/41/95/391634195.db2.gz YQTOSXTVPMTYTH-CABZTGNLSA-N 1 0 295.314 1.946 20 5 CDBDRO C[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])[NH+](C)C ZINC000341799246 130037666 /nfs/dbraw/zinc/03/76/66/130037666.db2.gz OBMCAYZVKALJBP-QMMMGPOBSA-N 1 0 266.301 1.056 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000132769232 391900603 /nfs/dbraw/zinc/90/06/03/391900603.db2.gz KQJXMQISZVNURJ-ZANVPECISA-N 1 0 295.314 1.933 20 5 CDBDRO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)N(C)C ZINC000353421998 391902659 /nfs/dbraw/zinc/90/26/59/391902659.db2.gz MQMMOSXGCPOOFG-UHFFFAOYSA-N 1 0 293.367 1.938 20 5 CDBDRO CC[N@@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)C[C@@H]1C ZINC000354355166 391918608 /nfs/dbraw/zinc/91/86/08/391918608.db2.gz XQCMOHCBFCILPS-UWVGGRQHSA-N 1 0 294.359 1.106 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000320788713 392002957 /nfs/dbraw/zinc/00/29/57/392002957.db2.gz FQSJBOOXRNJFJO-IUCAKERBSA-N 1 0 266.301 1.842 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1(O)CCOCC1 ZINC000238133163 391946093 /nfs/dbraw/zinc/94/60/93/391946093.db2.gz ADRXDNIADAHQRH-HWKANZROSA-N 1 0 292.335 1.739 20 5 CDBDRO C[NH2+]CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000237048680 131000431 /nfs/dbraw/zinc/00/04/31/131000431.db2.gz CROJJDGHAMFHBI-UHFFFAOYSA-N 1 0 269.326 1.023 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000237080989 131002492 /nfs/dbraw/zinc/00/24/92/131002492.db2.gz LYEMGJSJUQFUEA-AWEZNQCLSA-N 1 0 291.351 1.738 20 5 CDBDRO Cc1sc(C(=O)N(C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000237456859 131032739 /nfs/dbraw/zinc/03/27/39/131032739.db2.gz MQNSFYNSKBCMDM-LURJTMIESA-N 1 0 257.315 1.384 20 5 CDBDRO [NH3+][C@H]1CC[C@H](C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000237940836 131067322 /nfs/dbraw/zinc/06/73/22/131067322.db2.gz YUIFVQSBFFIQCH-RYUDHWBXSA-N 1 0 277.324 1.381 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000261611872 131156489 /nfs/dbraw/zinc/15/64/89/131156489.db2.gz DZJLQONCFFLJSP-WCQYABFASA-N 1 0 289.335 1.585 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261821155 131171271 /nfs/dbraw/zinc/17/12/71/131171271.db2.gz OCFNMWIWHICMOG-UHFFFAOYSA-N 1 0 289.335 1.811 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000262048743 131186580 /nfs/dbraw/zinc/18/65/80/131186580.db2.gz HCHLYZCMGPFMAF-UWVGGRQHSA-N 1 0 279.296 1.158 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000262303518 131209893 /nfs/dbraw/zinc/20/98/93/131209893.db2.gz BVECKBKOJUVLEM-ZJUUUORDSA-N 1 0 265.313 1.675 20 5 CDBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000262644970 131246762 /nfs/dbraw/zinc/24/67/62/131246762.db2.gz UTMJPXMNNZKEHJ-CQSZACIVSA-N 1 0 294.355 1.670 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H]1C ZINC000262757509 131258847 /nfs/dbraw/zinc/25/88/47/131258847.db2.gz HWALFZYFLVCMFS-HTQZYQBOSA-N 1 0 269.326 1.479 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000262814508 131263438 /nfs/dbraw/zinc/26/34/38/131263438.db2.gz RONQDETZGTYHAO-MNOVXSKESA-N 1 0 277.324 1.346 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000262814506 131263972 /nfs/dbraw/zinc/26/39/72/131263972.db2.gz RONQDETZGTYHAO-GHMZBOCLSA-N 1 0 277.324 1.346 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[NH2+]1 ZINC000262821758 131264703 /nfs/dbraw/zinc/26/47/03/131264703.db2.gz GVBBOXPKRJKSOR-APPZFPTMSA-N 1 0 296.302 1.186 20 5 CDBDRO Cc1sc(C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262832857 131266193 /nfs/dbraw/zinc/26/61/93/131266193.db2.gz VNFFBPLYGRHJOY-YUMQZZPRSA-N 1 0 283.353 1.787 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CC[NH2+]1 ZINC000262904769 131272602 /nfs/dbraw/zinc/27/26/02/131272602.db2.gz QAEDVNVXMULQCM-RKDXNWHRSA-N 1 0 278.312 1.047 20 5 CDBDRO C[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000263707540 131313396 /nfs/dbraw/zinc/31/33/96/131313396.db2.gz MKGLLDUBXXGJAT-NSHDSACASA-N 1 0 289.335 1.826 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000459756246 392504150 /nfs/dbraw/zinc/50/41/50/392504150.db2.gz NLFVWDGMZIDPTJ-UUSSSYRCSA-N 1 0 278.308 1.611 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[N@H+](C)C1 ZINC000153419212 392542246 /nfs/dbraw/zinc/54/22/46/392542246.db2.gz MJJRRSKVPWBSNL-NSHDSACASA-N 1 0 295.314 1.900 20 5 CDBDRO C[C@H]1[C@@H](CO)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000488803933 392728116 /nfs/dbraw/zinc/72/81/16/392728116.db2.gz ZGSRCYVWIQSKKE-NWDGAFQWSA-N 1 0 280.324 1.676 20 5 CDBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ncc([N+](=O)[O-])c(C)n1 ZINC000297418923 392897762 /nfs/dbraw/zinc/89/77/62/392897762.db2.gz HAVGIXQGNBJJDN-NEPJUHHUSA-N 1 0 291.355 1.756 20 5 CDBDRO [NH3+]CCCCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000420237425 392911445 /nfs/dbraw/zinc/91/14/45/392911445.db2.gz QPOPFFFGBRAOEX-UHFFFAOYSA-N 1 0 250.302 1.714 20 5 CDBDRO CC[C@H](C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)[NH+](C)C ZINC000268800978 132068074 /nfs/dbraw/zinc/06/80/74/132068074.db2.gz YKDFLIWUWAYWEV-LLVKDONJSA-N 1 0 295.339 1.560 20 5 CDBDRO COC[C@](C)([NH3+])CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000269358686 132160123 /nfs/dbraw/zinc/16/01/23/132160123.db2.gz IRQRMITUNHYWDT-SNVBAGLBSA-N 1 0 274.708 1.419 20 5 CDBDRO C[C@@H](NC[C@H]1C[NH2+]CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000423486328 392963761 /nfs/dbraw/zinc/96/37/61/392963761.db2.gz WIECRKWQPQWHIE-BXUZGUMPSA-N 1 0 278.356 1.149 20 5 CDBDRO CNC(=O)CC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000170793238 393108334 /nfs/dbraw/zinc/10/83/34/393108334.db2.gz NCQFEGRDGIKTGE-UHFFFAOYSA-N 1 0 265.313 1.205 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000430580465 393100465 /nfs/dbraw/zinc/10/04/65/393100465.db2.gz HNGKAVDZPZGKLL-NSHDSACASA-N 1 0 265.313 1.397 20 5 CDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH3+])C1 ZINC000430935471 393104810 /nfs/dbraw/zinc/10/48/10/393104810.db2.gz UDGYHMFMJVPKTA-QWRGUYRKSA-N 1 0 292.339 1.202 20 5 CDBDRO CNC(=O)[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449202864 393132327 /nfs/dbraw/zinc/13/23/27/393132327.db2.gz KOIJVWYMZKCQLF-BXUZGUMPSA-N 1 0 293.367 1.886 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C(=O)NCCF ZINC000449305451 393134016 /nfs/dbraw/zinc/13/40/16/393134016.db2.gz GNBKEWZDFLITAO-GHMZBOCLSA-N 1 0 297.330 1.590 20 5 CDBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCCF ZINC000281917156 393163709 /nfs/dbraw/zinc/16/37/09/393163709.db2.gz AIOHMIYJVSBEIM-UWVGGRQHSA-N 1 0 283.303 1.720 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493638404 393215537 /nfs/dbraw/zinc/21/55/37/393215537.db2.gz AGQGFUWKUMESNX-TYTFPUTGSA-N 1 0 293.298 1.695 20 5 CDBDRO COc1ccc(NC(=O)[C@H]([NH3+])CCSC)cc1[N+](=O)[O-] ZINC000131337666 139837165 /nfs/dbraw/zinc/83/71/65/139837165.db2.gz UDWAMWSTRQZISX-SECBINFHSA-N 1 0 299.352 1.622 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[NH2+]C2)c1 ZINC000179087694 140012646 /nfs/dbraw/zinc/01/26/46/140012646.db2.gz DVFDPSXCSFFMSM-VIFPVBQESA-N 1 0 295.364 1.751 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185086166 140035836 /nfs/dbraw/zinc/03/58/36/140035836.db2.gz VZMFKBBOEOIPAX-BIMULSAOSA-N 1 0 290.323 1.108 20 5 CDBDRO Cc1nn(C)c(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000219297280 140166112 /nfs/dbraw/zinc/16/61/12/140166112.db2.gz ZRDDQAKGZIGYRS-MNOVXSKESA-N 1 0 279.344 1.675 20 5 CDBDRO Cc1cc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ncc1[N+](=O)[O-] ZINC000252639092 140321401 /nfs/dbraw/zinc/32/14/01/140321401.db2.gz JLROGEZBNFISDW-RYUDHWBXSA-N 1 0 292.339 1.573 20 5 CDBDRO [NH3+][C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)C1CC1 ZINC000261589727 140357719 /nfs/dbraw/zinc/35/77/19/140357719.db2.gz KWKZSRIOQCUVNN-QMMMGPOBSA-N 1 0 279.325 1.749 20 5 CDBDRO Cc1cc(C(=O)N2CCC[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000135220816 397910151 /nfs/dbraw/zinc/91/01/51/397910151.db2.gz VXNZBULPQFMTDZ-NSHDSACASA-N 1 0 277.324 1.714 20 5 CDBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000361067509 397910849 /nfs/dbraw/zinc/91/08/49/397910849.db2.gz NSZXJZPRYKVGLL-CMPLNLGQSA-N 1 0 262.313 1.520 20 5 CDBDRO COc1cc(C[N@@H+]2CC[C@H](CO)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000488744933 398133561 /nfs/dbraw/zinc/13/35/61/398133561.db2.gz AJKAOAVQKFDZSW-CMPLNLGQSA-N 1 0 280.324 1.806 20 5 CDBDRO Cc1ccc(C[NH2+]CCc2ncn(C)n2)cc1[N+](=O)[O-] ZINC000095016041 147105586 /nfs/dbraw/zinc/10/55/86/147105586.db2.gz OYGXSGJOPITUHC-UHFFFAOYSA-N 1 0 275.312 1.364 20 5 CDBDRO Cc1ccnc(N2CC[C@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000127248894 147547995 /nfs/dbraw/zinc/54/79/95/147547995.db2.gz JPZKVQZMLZYVJN-ZJUUUORDSA-N 1 0 250.302 1.472 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000334042444 149306118 /nfs/dbraw/zinc/30/61/18/149306118.db2.gz NADLXIIVELBMPQ-JQWIXIFHSA-N 1 0 277.324 1.807 20 5 CDBDRO C[N@@H+]1CC[C@](O)(CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000342830448 151933844 /nfs/dbraw/zinc/93/38/44/151933844.db2.gz JLJFOBNJTRPHHO-LBPRGKRZSA-N 1 0 269.276 1.212 20 5 CDBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1O ZINC000352668940 155341630 /nfs/dbraw/zinc/34/16/30/155341630.db2.gz WADMJQSABOGDJE-YPMHNXCESA-N 1 0 293.323 1.039 20 5 CDBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](CCO)CC2)cn1 ZINC000344437942 152531479 /nfs/dbraw/zinc/53/14/79/152531479.db2.gz RSDQKUGVZWFHBA-UHFFFAOYSA-N 1 0 280.328 1.106 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1C ZINC000345980503 153016075 /nfs/dbraw/zinc/01/60/75/153016075.db2.gz LCEJUWGKYOCUMJ-ZJUUUORDSA-N 1 0 280.328 1.478 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000349951816 154284220 /nfs/dbraw/zinc/28/42/20/154284220.db2.gz NNALHOFRVHDZMJ-VIFPVBQESA-N 1 0 283.353 1.540 20 5 CDBDRO COc1cccc(N2CC[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC000122696882 286457160 /nfs/dbraw/zinc/45/71/60/286457160.db2.gz DQOHDAXPMHVEME-SECBINFHSA-N 1 0 251.286 1.402 20 5 CDBDRO COC(=O)COc1ccc(C[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000355583697 157128929 /nfs/dbraw/zinc/12/89/29/157128929.db2.gz MWLVPOXQMHQQMN-UHFFFAOYSA-N 1 0 294.307 1.741 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000362090189 159067825 /nfs/dbraw/zinc/06/78/25/159067825.db2.gz XJSJVJGURDRRNX-CMPLNLGQSA-N 1 0 280.324 1.664 20 5 CDBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000362595464 159190164 /nfs/dbraw/zinc/19/01/64/159190164.db2.gz CYVZXZIQJAKPAY-RISCZKNCSA-N 1 0 291.351 1.451 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000363631785 159335680 /nfs/dbraw/zinc/33/56/80/159335680.db2.gz RNPBSECOATTXEH-NSHDSACASA-N 1 0 295.364 1.967 20 5 CDBDRO C[C@@H](C[NH3+])C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423720093 286822232 /nfs/dbraw/zinc/82/22/32/286822232.db2.gz GRFBPHXVOQVXIW-JTQLQIEISA-N 1 0 277.324 1.681 20 5 CDBDRO C[C@@H]1COCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000374341981 160275652 /nfs/dbraw/zinc/27/56/52/160275652.db2.gz RIUKTULTZSOMNQ-LBPRGKRZSA-N 1 0 280.324 1.942 20 5 CDBDRO CCNC(=O)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000035136201 172004124 /nfs/dbraw/zinc/00/41/24/172004124.db2.gz FBFAHVPJUGDCTK-SECBINFHSA-N 1 0 251.286 1.209 20 5 CDBDRO C[C@@H](Cn1ccnc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000035275171 172095457 /nfs/dbraw/zinc/09/54/57/172095457.db2.gz DGLNXVWMPCETOB-NSHDSACASA-N 1 0 260.297 1.970 20 5 CDBDRO C[C@H](Cn1ccnc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000035275173 172095753 /nfs/dbraw/zinc/09/57/53/172095753.db2.gz DGLNXVWMPCETOB-LLVKDONJSA-N 1 0 260.297 1.970 20 5 CDBDRO C[C@H]([NH2+]C[C@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC000038060660 174071589 /nfs/dbraw/zinc/07/15/89/174071589.db2.gz DMSWAOUFADTXTN-GWCFXTLKSA-N 1 0 266.297 1.661 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC000038060659 174071723 /nfs/dbraw/zinc/07/17/23/174071723.db2.gz DMSWAOUFADTXTN-ZWNOBZJWSA-N 1 0 266.297 1.661 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2COCCO2)cs1 ZINC000038061169 174072397 /nfs/dbraw/zinc/07/23/97/174072397.db2.gz OXOWXQPDUSYSRS-VIFPVBQESA-N 1 0 258.299 1.161 20 5 CDBDRO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000040630931 174358382 /nfs/dbraw/zinc/35/83/82/174358382.db2.gz AUVWLDAIVOFVNP-WDEREUQCSA-N 1 0 279.296 1.219 20 5 CDBDRO CN(C)C(=O)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040676041 174373946 /nfs/dbraw/zinc/37/39/46/174373946.db2.gz ZWYDDIAOMIKPOP-UHFFFAOYSA-N 1 0 265.313 1.205 20 5 CDBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC000040740491 174390621 /nfs/dbraw/zinc/39/06/21/174390621.db2.gz GBGBTVYIIWOTCV-FOSCPWQOSA-N 1 0 275.308 1.608 20 5 CDBDRO O=C(NCC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000044503492 175186708 /nfs/dbraw/zinc/18/67/08/175186708.db2.gz ZIYRJHVKJZKFME-UHFFFAOYSA-N 1 0 263.297 1.324 20 5 CDBDRO [NH3+]C[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000044528782 175193768 /nfs/dbraw/zinc/19/37/68/175193768.db2.gz YGSDHXNYHSPURQ-SNVBAGLBSA-N 1 0 278.312 1.797 20 5 CDBDRO CCOC[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000044723513 175237459 /nfs/dbraw/zinc/23/74/59/175237459.db2.gz HNIQZQWMOLGPTF-NSHDSACASA-N 1 0 268.313 1.988 20 5 CDBDRO NC(=O)C1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000078660989 177367917 /nfs/dbraw/zinc/36/79/17/177367917.db2.gz VUWWXGJOLLKKMP-UHFFFAOYSA-N 1 0 277.324 1.873 20 5 CDBDRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1cccc([N+](=O)[O-])c1 ZINC000390116046 262127454 /nfs/dbraw/zinc/12/74/54/262127454.db2.gz MBXRRMBVGSHVHS-GFCCVEGCSA-N 1 0 294.311 1.095 20 5 CDBDRO CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@@H](C[NH3+])C1CC1 ZINC000313483632 270324962 /nfs/dbraw/zinc/32/49/62/270324962.db2.gz OYRBDGZWTRQIHI-DFGFTWQDSA-N 1 0 289.335 1.804 20 5 CDBDRO CCc1nn(C)c(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000322894055 270331441 /nfs/dbraw/zinc/33/14/41/270331441.db2.gz FSNQHVBEIAVGOY-FGWVZKOKSA-N 1 0 293.371 1.928 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000397232130 270346755 /nfs/dbraw/zinc/34/67/55/270346755.db2.gz ROSQGLCEODCPPJ-FPLPWBNLSA-N 1 0 277.324 1.852 20 5 CDBDRO CCC[C@@H]([NH3+])C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000262468228 273617261 /nfs/dbraw/zinc/61/72/61/273617261.db2.gz MVUGSFPRCPCBMI-SNVBAGLBSA-N 1 0 263.297 1.611 20 5 CDBDRO C[NH2+]C[C@H](C)CNc1cc(OC)ccc1[N+](=O)[O-] ZINC000129523804 273966865 /nfs/dbraw/zinc/96/68/65/273966865.db2.gz NRDUNBKHOYUFFW-VIFPVBQESA-N 1 0 253.302 1.871 20 5 CDBDRO C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[NH2+]1 ZINC000029340629 274364614 /nfs/dbraw/zinc/36/46/14/274364614.db2.gz WIRIBEHWECMIRC-SNVBAGLBSA-N 1 0 272.308 1.941 20 5 in-vivo CDBDRO C[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000253189681 274562998 /nfs/dbraw/zinc/56/29/98/274562998.db2.gz KKLNFGPYTMNNCM-VHSXEESVSA-N 1 0 250.302 1.411 20 5 CDBDRO [NH3+]C1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000236159283 274943803 /nfs/dbraw/zinc/94/38/03/274943803.db2.gz BKHYVPLLTCKMIX-UHFFFAOYSA-N 1 0 290.245 1.936 20 5 CDBDRO O=[N+]([O-])c1c(N2CC[C@H]3C[NH2+]C[C@H]3C2)nc2sccn21 ZINC000261662368 275032696 /nfs/dbraw/zinc/03/26/96/275032696.db2.gz FCGOEXVCXZARTC-IUCAKERBSA-N 1 0 293.352 1.350 20 5 CDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC[NH2+]CC2)s1 ZINC000261585333 275034155 /nfs/dbraw/zinc/03/41/55/275034155.db2.gz IIAFBPQTKWAMMZ-UHFFFAOYSA-N 1 0 279.325 1.399 20 5 CDBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CC[NH2+]C2)s1 ZINC000261589000 275034340 /nfs/dbraw/zinc/03/43/40/275034340.db2.gz WBBFOAIQICFOKC-ZCFIWIBFSA-N 1 0 265.298 1.373 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000378097892 275040142 /nfs/dbraw/zinc/04/01/42/275040142.db2.gz ADYCBRCDCFBYJZ-GFCCVEGCSA-N 1 0 272.308 1.965 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000250819792 275041430 /nfs/dbraw/zinc/04/14/30/275041430.db2.gz XKBRWLFXJDZZKR-UWVGGRQHSA-N 1 0 263.301 1.424 20 5 CDBDRO CC1(C)CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000212795778 275851690 /nfs/dbraw/zinc/85/16/90/275851690.db2.gz AQWGBUUJQBZGJB-UHFFFAOYSA-N 1 0 270.720 1.831 20 5 CDBDRO CC[NH2+]CCN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423235841 276266532 /nfs/dbraw/zinc/26/65/32/276266532.db2.gz BLIFJWMSVHRWFY-NEPJUHHUSA-N 1 0 281.360 1.474 20 5 CDBDRO COc1cccc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000278770861 278017124 /nfs/dbraw/zinc/01/71/24/278017124.db2.gz OLIPMDSXHHHMMJ-PHIMTYICSA-N 1 0 277.324 1.601 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000189322701 278050059 /nfs/dbraw/zinc/05/00/59/278050059.db2.gz DNOPBOQVKDRHLT-JOYOIKCWSA-N 1 0 299.352 1.014 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000191996468 278309801 /nfs/dbraw/zinc/30/98/01/278309801.db2.gz YZMGACPSBQMRQC-RKDXNWHRSA-N 1 0 263.297 1.467 20 5 CDBDRO Cc1ccnc(N2CCC[C@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000070496728 278984797 /nfs/dbraw/zinc/98/47/97/278984797.db2.gz FUVXGBANFQBEND-MNOVXSKESA-N 1 0 264.329 1.862 20 5 CDBDRO C[C@@](C[NH3+])(NC(=O)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000127272297 279148268 /nfs/dbraw/zinc/14/82/68/279148268.db2.gz UEGSIEWRBUIGQL-AWEZNQCLSA-N 1 0 277.324 1.381 20 5 CDBDRO COc1ccc(NC(=O)C[N@H+](C)CC2CC2)c([N+](=O)[O-])c1 ZINC000053183701 279182813 /nfs/dbraw/zinc/18/28/13/279182813.db2.gz GFBVKLLCAUMYQS-UHFFFAOYSA-N 1 0 293.323 1.884 20 5 CDBDRO C[C@@H]([NH3+])C1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000110651851 279318429 /nfs/dbraw/zinc/31/84/29/279318429.db2.gz YKIQFLROFAVMFI-MRVPVSSYSA-N 1 0 295.368 1.868 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000127701128 279540205 /nfs/dbraw/zinc/54/02/05/279540205.db2.gz DNBRQJKCBPRXIE-NPQIQWPPSA-N 1 0 289.335 1.818 20 5 CDBDRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000054370216 279907769 /nfs/dbraw/zinc/90/77/69/279907769.db2.gz BHJSFRSHYGRDRD-ZETCQYMHSA-N 1 0 255.299 1.090 20 5 CDBDRO CC(C)[C@@](C)(C[NH3+])NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000430550466 280107097 /nfs/dbraw/zinc/10/70/97/280107097.db2.gz GJESTUCPBISFRL-CQSZACIVSA-N 1 0 294.355 1.157 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH2+]CC1 ZINC000244273448 280201935 /nfs/dbraw/zinc/20/19/35/280201935.db2.gz WPTWCGHTAMIYJH-UHFFFAOYSA-N 1 0 280.284 1.041 20 5 CDBDRO Cc1c(C(=O)N2CCCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000044542018 280204616 /nfs/dbraw/zinc/20/46/16/280204616.db2.gz MKCARXITESRUQL-LLVKDONJSA-N 1 0 277.324 1.857 20 5 CDBDRO C[C@@H](C(=O)N1CC[NH2+]C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000396092597 280695965 /nfs/dbraw/zinc/69/59/65/280695965.db2.gz JRRLDXGUKIAUOW-LLVKDONJSA-N 1 0 291.351 1.909 20 5 CDBDRO C[NH+](C)C1(CNc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000397751143 280709877 /nfs/dbraw/zinc/70/98/77/280709877.db2.gz BGLXOTHBEUAEGK-UHFFFAOYSA-N 1 0 281.341 1.810 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000423620813 280757677 /nfs/dbraw/zinc/75/76/77/280757677.db2.gz WZIWTZNKUURHFC-WPRPVWTQSA-N 1 0 278.312 1.047 20 5 CDBDRO Nc1c(C(=O)N[C@H](C[NH3+])C2CCCC2)cccc1[N+](=O)[O-] ZINC000423972366 280767243 /nfs/dbraw/zinc/76/72/43/280767243.db2.gz ZMHVQXXMXDLABL-LLVKDONJSA-N 1 0 292.339 1.424 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000518241447 281016777 /nfs/dbraw/zinc/01/67/77/281016777.db2.gz VUBVCBIGJBKMNI-NEPJUHHUSA-N 1 0 292.339 1.290 20 5 CDBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H]1OC ZINC000157153371 289279887 /nfs/dbraw/zinc/27/98/87/289279887.db2.gz JFMFWNFROJRSJG-MCIONIFRSA-N 1 0 280.324 1.877 20 5 CDBDRO C[NH+](C)[C@H]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255519454 289374855 /nfs/dbraw/zinc/37/48/55/289374855.db2.gz ZXEHUPDTAAHANE-WSROAFLRSA-N 1 0 289.335 1.771 20 5 CDBDRO NC(=O)c1ccc(C[NH2+]C2(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000544414732 289636963 /nfs/dbraw/zinc/63/69/63/289636963.db2.gz DRHFGQRYXWZBQR-UHFFFAOYSA-N 1 0 275.308 1.726 20 5 CDBDRO Cc1ccnc(N2CC[C@@H]([NH3+])[C@H](C)C2)c1[N+](=O)[O-] ZINC000094342633 292777435 /nfs/dbraw/zinc/77/74/35/292777435.db2.gz PCRGICDLYHDEME-NXEZZACHSA-N 1 0 250.302 1.472 20 5 CDBDRO C[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000562399959 293151511 /nfs/dbraw/zinc/15/15/11/293151511.db2.gz AXWJZLFZNGDLJD-SNVBAGLBSA-N 1 0 295.343 1.168 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000563169032 293296941 /nfs/dbraw/zinc/29/69/41/293296941.db2.gz CXTIBQFAUBJJEX-YUMQZZPRSA-N 1 0 266.301 1.033 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]CC3(O)CCCC3)nc2c1 ZINC000564444770 293357392 /nfs/dbraw/zinc/35/73/92/293357392.db2.gz VVVHFQHIGBWIEN-UHFFFAOYSA-N 1 0 290.323 1.866 20 5 CDBDRO Cc1cnc(N2CCCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000090692565 302348347 /nfs/dbraw/zinc/34/83/47/302348347.db2.gz KVDXFUZWQYHJPC-SNVBAGLBSA-N 1 0 250.302 1.616 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(=O)n1C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000569960423 316883537 /nfs/dbraw/zinc/88/35/37/316883537.db2.gz GWNWUMDIEDTQDZ-HAQNSBGRSA-N 1 0 279.340 1.830 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC(=O)N(C)C ZINC000873031154 782088395 /nfs/dbraw/zinc/08/83/95/782088395.db2.gz PBLMPXRDQBDFAD-UHFFFAOYSA-N 1 0 279.340 1.780 20 5 CDBDRO COCC[N@H+]1[C@H](C)CN(c2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000826629502 782092247 /nfs/dbraw/zinc/09/22/47/782092247.db2.gz UUFHSTNWONHGSX-TXEJJXNPSA-N 1 0 294.355 1.535 20 5 CDBDRO Cc1ccc(C(=O)N[C@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000383518021 323670159 /nfs/dbraw/zinc/67/01/59/323670159.db2.gz UNIVQZSBXPFLTA-SECBINFHSA-N 1 0 287.266 1.616 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000389756437 323809927 /nfs/dbraw/zinc/80/99/27/323809927.db2.gz QUAQQORBGLVFII-QRWLWRBWSA-N 1 0 289.335 1.722 20 5 CDBDRO C[C@H](O)CCC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000581608148 324793011 /nfs/dbraw/zinc/79/30/11/324793011.db2.gz NVWLVTHPLRAELJ-AAEUAGOBSA-N 1 0 298.339 1.085 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1F ZINC000582661421 325018574 /nfs/dbraw/zinc/01/85/74/325018574.db2.gz ZBXSISHQJAUSOK-SDDRHHMPSA-N 1 0 298.314 1.815 20 5 CDBDRO C[NH2+]C[C@@](C)(O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000583636120 325213515 /nfs/dbraw/zinc/21/35/15/325213515.db2.gz JOZREXLJZVIWQC-SMDDNHRTSA-N 1 0 281.356 1.524 20 5 CDBDRO CN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(N)n1 ZINC000167825488 1159230868 /nfs/dbraw/zinc/23/08/68/1159230868.db2.gz HBXADDQJQDXXCT-UHFFFAOYSA-N 1 0 265.317 1.104 20 5 CDBDRO [NH3+]CCc1ccn(-c2cc([N+](=O)[O-])ccc2Cl)n1 ZINC001167730444 1159582935 /nfs/dbraw/zinc/58/29/35/1159582935.db2.gz JVDOOYYCCDEJQU-UHFFFAOYSA-N 1 0 266.688 1.935 20 5 CDBDRO CC(C)(C)[C@H](CCO)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000183698088 518955715 /nfs/dbraw/zinc/95/57/15/518955715.db2.gz DKPFHDOCFSYYJH-LBPRGKRZSA-N 1 0 297.355 1.143 20 5 CDBDRO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1(CO)CCC1 ZINC000339728602 519820836 /nfs/dbraw/zinc/82/08/36/519820836.db2.gz IIMFXYYYCKHCET-ZDUSSCGKSA-N 1 0 296.371 1.568 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000234367850 522057805 /nfs/dbraw/zinc/05/78/05/522057805.db2.gz HOQZMOUHDZMQCP-QMMMGPOBSA-N 1 0 270.720 1.689 20 5 CDBDRO COc1cc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000234920636 522148281 /nfs/dbraw/zinc/14/82/81/522148281.db2.gz BTACUARCJCWEEB-KOLCDFICSA-N 1 0 293.323 1.474 20 5 CDBDRO COC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000183484601 522744253 /nfs/dbraw/zinc/74/42/53/522744253.db2.gz PPWCNHFWEGCASW-KBPBESRZSA-N 1 0 280.324 1.643 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000132525238 534727941 /nfs/dbraw/zinc/72/79/41/534727941.db2.gz JQWBOSYKKSLGGI-VIFPVBQESA-N 1 0 281.337 1.247 20 5 CDBDRO C[C@@H]1CCCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000187909130 524087222 /nfs/dbraw/zinc/08/72/22/524087222.db2.gz QRTNPWLICXQDBZ-YPMHNXCESA-N 1 0 282.344 1.274 20 5 CDBDRO C[C@H](CN1CCCC1=O)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000037783000 524326914 /nfs/dbraw/zinc/32/69/14/524326914.db2.gz MUQSVYYSUAXCPS-LLVKDONJSA-N 1 0 277.324 1.695 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000237191429 525455622 /nfs/dbraw/zinc/45/56/22/525455622.db2.gz NOEBLUJUYBOROV-SECBINFHSA-N 1 0 279.296 1.085 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000184964503 526262079 /nfs/dbraw/zinc/26/20/79/526262079.db2.gz AGEFUQHPIXTOLX-GDLCADMTSA-N 1 0 289.335 1.713 20 5 CDBDRO Cc1nc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000161541198 526998244 /nfs/dbraw/zinc/99/82/44/526998244.db2.gz BBUIGLAHYCUYCW-NEPJUHHUSA-N 1 0 292.339 1.573 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000426801588 535022199 /nfs/dbraw/zinc/02/21/99/535022199.db2.gz VAKBDUJCTKZXDO-JTQLQIEISA-N 1 0 294.355 1.636 20 5 CDBDRO CC1(NC(=O)c2ccc([N+](=O)[O-])cc2F)CC[NH2+]CC1 ZINC000189334271 535185320 /nfs/dbraw/zinc/18/53/20/535185320.db2.gz ISJOBLYLURFUTL-UHFFFAOYSA-N 1 0 281.287 1.606 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000237060307 536462624 /nfs/dbraw/zinc/46/26/24/536462624.db2.gz IEDKXLDMYIHCKC-QMMMGPOBSA-N 1 0 295.295 1.175 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179119555 536950570 /nfs/dbraw/zinc/95/05/70/536950570.db2.gz SIGUWXTZFXMTOD-JTQLQIEISA-N 1 0 279.296 1.037 20 5 CDBDRO CC(C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000093519646 574424961 /nfs/dbraw/zinc/42/49/61/574424961.db2.gz JAEDQFWCHIJLKU-UHFFFAOYSA-N 1 0 286.353 1.508 20 5 CDBDRO CN1CC[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000729681664 574820567 /nfs/dbraw/zinc/82/05/67/574820567.db2.gz HJIHNOAXORSRIR-RYWCDNDXSA-N 1 0 261.325 1.902 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC000761039881 576536477 /nfs/dbraw/zinc/53/64/77/576536477.db2.gz FWZRDTCWNIUPKA-QMMMGPOBSA-N 1 0 278.234 1.676 20 5 CDBDRO COc1cc(C[NH2+]CCOC2CCC2)c([N+](=O)[O-])cc1O ZINC000742385790 576599612 /nfs/dbraw/zinc/59/96/12/576599612.db2.gz UXNUSDJVNSEGLT-UHFFFAOYSA-N 1 0 296.323 1.968 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000891999377 617397361 /nfs/dbraw/zinc/39/73/61/617397361.db2.gz BPGQPYXSGAWYEB-SECBINFHSA-N 1 0 278.312 1.647 20 5 CDBDRO Cc1ccc(CNC(=O)NC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000892003964 617401408 /nfs/dbraw/zinc/40/14/08/617401408.db2.gz AJBMJRADIQDXHO-LBPRGKRZSA-N 1 0 292.339 1.454 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](Nc2c([N+](=O)[O-])cnn2C)C1 ZINC000892035228 617429196 /nfs/dbraw/zinc/42/91/96/617429196.db2.gz BKBUMFUNVPXTCG-VIFPVBQESA-N 1 0 253.306 1.223 20 5 CDBDRO C[C@H](CC[NH+](C)C)Nc1ccc2nonc2c1[N+](=O)[O-] ZINC000892084789 617472205 /nfs/dbraw/zinc/47/22/05/617472205.db2.gz DCJWKFYIHAQQLX-MRVPVSSYSA-N 1 0 279.300 1.883 20 5 CDBDRO COCCOC[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000892609302 617532951 /nfs/dbraw/zinc/53/29/51/617532951.db2.gz ZZUYSVKJFNKLPI-LLVKDONJSA-N 1 0 268.313 1.736 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NCC[NH+]1CCCCCC1 ZINC000891760326 617572616 /nfs/dbraw/zinc/57/26/16/617572616.db2.gz PDJRVNIKNAUOMT-UHFFFAOYSA-N 1 0 267.333 1.616 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000892285940 617694767 /nfs/dbraw/zinc/69/47/67/617694767.db2.gz AUJKSELEGFHZLR-SNVBAGLBSA-N 1 0 265.317 1.003 20 5 CDBDRO COC[C@@H](C)C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892729929 617668272 /nfs/dbraw/zinc/66/82/72/617668272.db2.gz COXPYQZDYNQCFH-VIFPVBQESA-N 1 0 284.312 1.681 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN(C)C1CC[NH2+]CC1 ZINC000036300563 618087907 /nfs/dbraw/zinc/08/79/07/618087907.db2.gz HSUWUCFXKOUOOX-UHFFFAOYSA-N 1 0 279.340 1.787 20 5 CDBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@]2(C)CO)c1[N+](=O)[O-] ZINC000893884915 618138180 /nfs/dbraw/zinc/13/81/80/618138180.db2.gz VMBWMDVVSXTFLQ-AWEZNQCLSA-N 1 0 296.323 1.656 20 5 CDBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cnn(C)n1 ZINC000924955294 618394241 /nfs/dbraw/zinc/39/42/41/618394241.db2.gz NKKKPGKPIADXLG-JTQLQIEISA-N 1 0 275.312 1.617 20 5 CDBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccc3nonc3c2[N+](=O)[O-])C1 ZINC000894427797 618881381 /nfs/dbraw/zinc/88/13/81/618881381.db2.gz NLDCETYOMBXPMM-DTORHVGOSA-N 1 0 291.311 1.883 20 5 CDBDRO O=[N+]([O-])CC[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000899864748 622497741 /nfs/dbraw/zinc/49/77/41/622497741.db2.gz NCZGSERQXRBMDH-UHFFFAOYSA-N 1 0 278.230 1.994 20 5 CDBDRO CC[NH+](CC)[C@@H](CNCC[N+](=O)[O-])c1cccc(OC)c1 ZINC000899863928 622497893 /nfs/dbraw/zinc/49/78/93/622497893.db2.gz CJFCWLZBSXWYAA-HNNXBMFYSA-N 1 0 295.383 1.944 20 5 CDBDRO [NH3+][C@]1(CO)CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000900376000 622951056 /nfs/dbraw/zinc/95/10/56/622951056.db2.gz SADGDPREZWZZGL-GFCCVEGCSA-N 1 0 285.731 1.538 20 5 CDBDRO NOCCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000904457660 626301726 /nfs/dbraw/zinc/30/17/26/626301726.db2.gz SHTQMLDJKZDXPD-UHFFFAOYSA-N 1 0 259.693 1.618 20 5 CDBDRO Cn1cc(-c2ccccc2C[NH2+]CC[N+](=O)[O-])cn1 ZINC000905191943 626669601 /nfs/dbraw/zinc/66/96/01/626669601.db2.gz WBYQWGFBCKPMHT-UHFFFAOYSA-N 1 0 260.297 1.453 20 5 CDBDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905228081 626683902 /nfs/dbraw/zinc/68/39/02/626683902.db2.gz FXAPQZBLNHYOQY-QWRGUYRKSA-N 1 0 287.360 1.689 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000905205273 626691127 /nfs/dbraw/zinc/69/11/27/626691127.db2.gz YPYKQYFUNZPMIC-UHFFFAOYSA-N 1 0 273.676 1.657 20 5 CDBDRO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC000905213871 626694508 /nfs/dbraw/zinc/69/45/08/626694508.db2.gz RXLNNDCBCBXBKU-JSGCOSHPSA-N 1 0 263.341 1.373 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000905245439 626701552 /nfs/dbraw/zinc/70/15/52/626701552.db2.gz VSICOJXHQRBSBD-OIBJUYFYSA-N 1 0 260.215 1.826 20 5 CDBDRO CC[C@@]1(C[NH2+]CC[N+](=O)[O-])OCCc2ccccc21 ZINC000905259580 626710032 /nfs/dbraw/zinc/71/00/32/626710032.db2.gz FJOJXKFWFIKIFS-AWEZNQCLSA-N 1 0 264.325 1.731 20 5 CDBDRO C[C@H](CCOCc1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000905264231 626713099 /nfs/dbraw/zinc/71/30/99/626713099.db2.gz ZVOOAYLWLPSTPA-GFCCVEGCSA-N 1 0 252.314 1.848 20 5 CDBDRO COC[C@@H](C[NH2+]CC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000905274485 626730077 /nfs/dbraw/zinc/73/00/77/626730077.db2.gz SZWBQBSYSCFLTE-LLVKDONJSA-N 1 0 272.732 1.936 20 5 CDBDRO C[N@@H+]1CCCN(c2ccc(NCC[N+](=O)[O-])cc2)CC1 ZINC000905299891 626754040 /nfs/dbraw/zinc/75/40/40/626754040.db2.gz JZDKTXLFHDLYFX-UHFFFAOYSA-N 1 0 278.356 1.517 20 5 CDBDRO O=[N+]([O-])CC[NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1 ZINC000905384250 626779770 /nfs/dbraw/zinc/77/97/70/626779770.db2.gz VHCAXOADWYHAOB-HNNXBMFYSA-N 1 0 294.351 1.749 20 5 CDBDRO [NH3+]C1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000911620375 629367658 /nfs/dbraw/zinc/36/76/58/629367658.db2.gz QQQVIYFCTAUBNN-KBPBESRZSA-N 1 0 289.335 1.648 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000911659828 629380464 /nfs/dbraw/zinc/38/04/64/629380464.db2.gz FHKGLIYXTDATJH-RTXFEEFZSA-N 1 0 275.308 1.258 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000129419849 1158991035 /nfs/dbraw/zinc/99/10/35/1158991035.db2.gz VMORTARBVSBBPM-QMMMGPOBSA-N 1 0 285.731 1.834 20 5 CDBDRO COc1c(F)cc(NCC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC001170254780 1162327111 /nfs/dbraw/zinc/32/71/11/1162327111.db2.gz RTDLYEGURHETCK-UHFFFAOYSA-N 1 0 269.276 1.716 20 5 CDBDRO COc1cc(N[C@H](C)[C@@H]2C[NH2+]CCO2)cc([N+](=O)[O-])c1C ZINC001170574879 1162985310 /nfs/dbraw/zinc/98/53/10/1162985310.db2.gz UNAKVRSWKMEQAC-YGRLFVJLSA-N 1 0 295.339 1.701 20 5 CDBDRO [NH3+]CCc1cnn(-c2cc([N+](=O)[O-])cc3cc[nH]c32)c1 ZINC001168946005 1161994407 /nfs/dbraw/zinc/99/44/07/1161994407.db2.gz DUZYKNQWCCCHMT-UHFFFAOYSA-N 1 0 271.280 1.763 20 5 CDBDRO Cc1cccc(C(=O)NCCC[NH2+]C2CC2)c1[N+](=O)[O-] ZINC000036262919 1165749001 /nfs/dbraw/zinc/74/90/01/1165749001.db2.gz BPDLKSSCNFSUTC-UHFFFAOYSA-N 1 0 277.324 1.775 20 5 CDBDRO Cc1nc(NCc2noc3c2C[NH2+]CC3)ccc1[N+](=O)[O-] ZINC001155494516 1167195117 /nfs/dbraw/zinc/19/51/17/1167195117.db2.gz AEFITNOWOVRURE-UHFFFAOYSA-N 1 0 289.295 1.544 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)n1 ZINC001155502576 1167200694 /nfs/dbraw/zinc/20/06/94/1167200694.db2.gz HHRYTZOCOJNGQX-IWSPIJDZSA-N 1 0 284.703 1.042 20 5 CDBDRO CCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000058234015 1167220244 /nfs/dbraw/zinc/22/02/44/1167220244.db2.gz YSAZTAPUGNJSDY-LLVKDONJSA-N 1 0 293.323 1.184 20 5 CDBDRO Nc1cc(N[C@H]2C[NH2+]Cc3ccsc32)ncc1[N+](=O)[O-] ZINC001155560925 1167231494 /nfs/dbraw/zinc/23/14/94/1167231494.db2.gz JMSACQOLOXXYPB-VIFPVBQESA-N 1 0 291.336 1.890 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)nc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)c1 ZINC001155634933 1167270415 /nfs/dbraw/zinc/27/04/15/1167270415.db2.gz GUCTZXNCTAUEMO-FYBVGQRMSA-N 1 0 284.703 1.184 20 5 CDBDRO CN(C[C@@H]1CC[NH2+]1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001578454036 1171919019 /nfs/dbraw/zinc/91/90/19/1171919019.db2.gz SCFDQBIPFGDWJN-KMSCOEIWSA-N 1 0 275.308 1.428 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001578621241 1171961903 /nfs/dbraw/zinc/96/19/03/1171961903.db2.gz NUMQVDQGEJDZRY-QMMMGPOBSA-N 1 0 281.287 1.479 20 5 CDBDRO CNc1ccc(C(=O)N2C[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC001578755248 1171996736 /nfs/dbraw/zinc/99/67/36/1171996736.db2.gz UKUUYPIUSHMVDC-SCZZXKLOSA-N 1 0 278.312 1.198 20 5 CDBDRO Nc1ccc(C(=O)NC[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001580439594 1172436633 /nfs/dbraw/zinc/43/66/33/1172436633.db2.gz QVOHLTYNVYZAFU-SNVBAGLBSA-N 1 0 292.339 1.297 20 5 CDBDRO O=C(NC[C@@H]1CC[NH2+]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001580660992 1172504620 /nfs/dbraw/zinc/50/46/20/1172504620.db2.gz KHGJRVMKVCKGLI-VIFPVBQESA-N 1 0 275.264 1.433 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1C[NH2+]CCO1 ZINC000134267342 1175815080 /nfs/dbraw/zinc/81/50/80/1175815080.db2.gz GNNYBPYDNCFJHC-VIFPVBQESA-N 1 0 255.249 1.134 20 5 CDBDRO CC[C@](C)(O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134757603 1175820768 /nfs/dbraw/zinc/82/07/68/1175820768.db2.gz CYNIAERLHBRFLL-OLZOCXBDSA-N 1 0 268.313 1.379 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261573993 1181670084 /nfs/dbraw/zinc/67/00/84/1181670084.db2.gz AXVRLTQUTLNDPL-KOLCDFICSA-N 1 0 265.288 1.922 20 5 CDBDRO Cc1cnc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000408068096 719154874 /nfs/dbraw/zinc/15/48/74/719154874.db2.gz RKRZROQHNRARDO-QWRGUYRKSA-N 1 0 264.329 1.827 20 5 CDBDRO CC(C)C[NH+]1CCN(c2nc(Cl)ncc2[N+](=O)[O-])CC1 ZINC000232653869 719329076 /nfs/dbraw/zinc/32/90/76/719329076.db2.gz DBAAGCCOIJSWNO-UHFFFAOYSA-N 1 0 299.762 1.816 20 5 CDBDRO CCOC[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591974 1164452099 /nfs/dbraw/zinc/45/20/99/1164452099.db2.gz NIEDOYXQYZVSRP-SWLSCSKDSA-N 1 0 294.351 1.987 20 5 CDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000870965833 1165243238 /nfs/dbraw/zinc/24/32/38/1165243238.db2.gz VKQRSWDRPFTCKT-TXEJJXNPSA-N 1 0 277.324 1.381 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1COC[C@H]1O ZINC000872076849 1165376291 /nfs/dbraw/zinc/37/62/91/1165376291.db2.gz UMWKYKVBPJKYFV-XXILOJSOSA-N 1 0 298.364 1.727 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000873130554 1165513861 /nfs/dbraw/zinc/51/38/61/1165513861.db2.gz HRCKQBJAULDXOC-HNNXBMFYSA-N 1 0 291.351 1.970 20 5 CDBDRO CCN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CCC[NH2+]C1 ZINC000110939591 1166536911 /nfs/dbraw/zinc/53/69/11/1166536911.db2.gz KPQILIPNPADQCF-SNVBAGLBSA-N 1 0 280.328 1.147 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+](C)C ZINC000050682972 1166673624 /nfs/dbraw/zinc/67/36/24/1166673624.db2.gz LDTIUOJJGAJYAR-UHFFFAOYSA-N 1 0 280.328 1.318 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@]23C[NH2+]C[C@H]2COC3)c(Cl)c1 ZINC001155510687 1167203554 /nfs/dbraw/zinc/20/35/54/1167203554.db2.gz YEZMLVWMELGPDR-UFBFGSQYSA-N 1 0 298.730 1.291 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCNC(=O)C1 ZINC001173215572 912299679 /nfs/dbraw/zinc/29/96/79/912299679.db2.gz WVRVMQNDXQWQTQ-ZYHUDNBSSA-N 1 0 277.324 1.394 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCN(C)C(=O)C1 ZINC001173227199 912321932 /nfs/dbraw/zinc/32/19/32/912321932.db2.gz OJEOASNPQKYYKL-GFCCVEGCSA-N 1 0 291.351 1.690 20 5 CDBDRO Cc1c(C(=O)N(C)CC2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000094021871 912322723 /nfs/dbraw/zinc/32/27/23/912322723.db2.gz OAFQWPRXWMRYKJ-UHFFFAOYSA-N 1 0 291.351 1.975 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCNC(=O)C1 ZINC001173231124 912324681 /nfs/dbraw/zinc/32/46/81/912324681.db2.gz XSLVGTLRDPDTJU-WCQYABFASA-N 1 0 291.351 1.784 20 5 CDBDRO C[C@@]1(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000230731206 912381536 /nfs/dbraw/zinc/38/15/36/912381536.db2.gz IQJNXINMRZOIBC-BTKRWWFXSA-N 1 0 275.308 1.476 20 5 CDBDRO CN(CCOCC[NH3+])Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000699202156 913559571 /nfs/dbraw/zinc/55/95/71/913559571.db2.gz AUHOZQQWSIYFIT-UHFFFAOYSA-N 1 0 287.747 1.655 20 5 CDBDRO COCC[NH+]1CCC(Oc2c(C)nccc2[N+](=O)[O-])CC1 ZINC001234902208 913878380 /nfs/dbraw/zinc/87/83/80/913878380.db2.gz YSPPLAGGAPBJCW-UHFFFAOYSA-N 1 0 295.339 1.788 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCO[C@@H]2CCC[NH2+]C2)cc1 ZINC001217859811 897943852 /nfs/dbraw/zinc/94/38/52/897943852.db2.gz IRGSFEBOKUHTKU-CYBMUJFWSA-N 1 0 266.297 1.742 20 5 CDBDRO CN(C(=O)c1csc([N+](=O)[O-])c1)C1CCC([NH3+])CC1 ZINC000091845277 898567560 /nfs/dbraw/zinc/56/75/60/898567560.db2.gz RNVFNXKZMWHGRY-UHFFFAOYSA-N 1 0 283.353 1.998 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@H]1CCC[NH2+]C1 ZINC001218279087 898587487 /nfs/dbraw/zinc/58/74/87/898587487.db2.gz MSSOERNRTPMACB-JTQLQIEISA-N 1 0 280.280 1.512 20 5 CDBDRO C[NH2+]CCNc1cnc(Oc2ccc([N+](=O)[O-])cc2)nc1 ZINC001167724493 899393637 /nfs/dbraw/zinc/39/36/37/899393637.db2.gz NKARTRQBTGLNOJ-UHFFFAOYSA-N 1 0 289.295 1.808 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000053202717 899793564 /nfs/dbraw/zinc/79/35/64/899793564.db2.gz XQZMFOQGUOEXEV-LLVKDONJSA-N 1 0 278.312 1.811 20 5 CDBDRO C[NH2+]CCN(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261971824 904647098 /nfs/dbraw/zinc/64/70/98/904647098.db2.gz QIQHXPDUMVCJMQ-UHFFFAOYSA-N 1 0 257.721 1.899 20 5 CDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC[NH2+]C1CC1 ZINC000054265679 906550417 /nfs/dbraw/zinc/55/04/17/906550417.db2.gz UQXOSQIMQPPNHZ-FPYGCLRLSA-N 1 0 275.308 1.476 20 5 CDBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168230982 907950852 /nfs/dbraw/zinc/95/08/52/907950852.db2.gz JOOSOGDJPQRYPM-XCBNKYQSSA-N 1 0 279.275 1.583 20 5 CDBDRO CC(C)[NH2+]CCc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000843233681 921375773 /nfs/dbraw/zinc/37/57/73/921375773.db2.gz NELWOPCIGCVOHU-UHFFFAOYSA-N 1 0 270.333 1.598 20 5 CDBDRO C[NH2+][C@@H](C)c1cn(Cc2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000714015344 909671668 /nfs/dbraw/zinc/67/16/68/909671668.db2.gz KLRZGPVSXZTALD-JTQLQIEISA-N 1 0 275.312 1.823 20 5 CDBDRO [NH3+][C@H]1C[C@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000715098067 909806596 /nfs/dbraw/zinc/80/65/96/909806596.db2.gz XXCDZIZIJBANDS-XWEPSHTISA-N 1 0 283.715 1.715 20 5 CDBDRO [NH3+][C@H]1C[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000715153632 909842966 /nfs/dbraw/zinc/84/29/66/909842966.db2.gz XXSMVYXSMTZTIP-GVJMRKKJSA-N 1 0 283.715 1.715 20 5 CDBDRO C[N+](C)(C)CCOC1CCN(c2ncccn2)CC1 ZINC001224772007 910664668 /nfs/dbraw/zinc/66/46/68/910664668.db2.gz VOZFWGJYVSCLGF-UHFFFAOYSA-N 1 0 265.381 1.168 20 5 CDBDRO CCOc1cc(-n2ccnc2C(N)=[NH2+])ccc1[N+](=O)[O-] ZINC001168419152 912194116 /nfs/dbraw/zinc/19/41/16/912194116.db2.gz CXZACJKNSUNSMC-UHFFFAOYSA-N 1 0 275.268 1.463 20 5 CDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC=CC1 ZINC001125129481 936351840 /nfs/dbraw/zinc/35/18/40/936351840.db2.gz UDPPPKNREKRSCR-UHFFFAOYSA-N 1 0 289.335 1.767 20 5 CDBDRO CC[C@@H](CO)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830348428 936456073 /nfs/dbraw/zinc/45/60/73/936456073.db2.gz GDGPACGPJBMAQG-AAEUAGOBSA-N 1 0 268.313 1.331 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)CCC(C)(C)[N+](=O)[O-])CC[C@@H]21 ZINC000827009200 936472868 /nfs/dbraw/zinc/47/28/68/936472868.db2.gz NDWQTCRYLUVBNQ-STQMWFEESA-N 1 0 297.399 1.765 20 5 CDBDRO Cc1cc(C(=O)NCC2([NH3+])CCC2)c(N)c([N+](=O)[O-])c1 ZINC000831550623 936516597 /nfs/dbraw/zinc/51/65/97/936516597.db2.gz ZXPDBTBKMUUJGW-UHFFFAOYSA-N 1 0 278.312 1.097 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000169049028 919276288 /nfs/dbraw/zinc/27/62/88/919276288.db2.gz NCMLVSQIQUTQHI-ZCFIWIBFSA-N 1 0 259.697 1.400 20 5 CDBDRO CCC1(Nc2c(Cl)cncc2[N+](=O)[O-])C[NH2+]C1 ZINC001168583512 919296088 /nfs/dbraw/zinc/29/60/88/919296088.db2.gz MUDJMSVDRSEQFU-UHFFFAOYSA-N 1 0 256.693 1.229 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000827674465 936603248 /nfs/dbraw/zinc/60/32/48/936603248.db2.gz IUIOZIGCIREYMN-GHMZBOCLSA-N 1 0 271.361 1.373 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](Nc2ncnc(Cl)c2[N+](=O)[O-])C1 ZINC001162383760 922419737 /nfs/dbraw/zinc/41/97/37/922419737.db2.gz ASJMTXMVMRULJD-BQBZGAKWSA-N 1 0 271.708 1.720 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923288499 923709768 /nfs/dbraw/zinc/70/97/68/923709768.db2.gz KPBXPEBHSWLQSU-NJZAAPMLSA-N 1 0 293.367 1.687 20 5 CDBDRO C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000923360876 923784295 /nfs/dbraw/zinc/78/42/95/923784295.db2.gz FNXJDOPRPARPDH-UHIISALHSA-N 1 0 279.340 1.310 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923373706 923788527 /nfs/dbraw/zinc/78/85/27/923788527.db2.gz OZRFVHCVRKMPOG-YIKOMLBNSA-N 1 0 293.367 1.604 20 5 CDBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839680869 936919546 /nfs/dbraw/zinc/91/95/46/936919546.db2.gz OQEKWXOQVLLPIB-JHJVBQTASA-N 1 0 297.399 1.668 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(N2C[C@@H]3C[C@]3([NH3+])C2)nc1Cl ZINC001165314138 925017167 /nfs/dbraw/zinc/01/71/67/925017167.db2.gz NTBAULNJFCONCA-CPCISQLKSA-N 1 0 268.704 1.489 20 5 CDBDRO C[C@H]([NH3+])Cc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000843169788 925736517 /nfs/dbraw/zinc/73/65/17/925736517.db2.gz PXQPNPFSLLONGN-LURJTMIESA-N 1 0 263.257 1.117 20 5 CDBDRO C[NH2+]C[C@H](C)c1noc(COc2cccc([N+](=O)[O-])c2)n1 ZINC000842576846 937062996 /nfs/dbraw/zinc/06/29/96/937062996.db2.gz OAQFETDYFZIAKN-VIFPVBQESA-N 1 0 292.295 1.880 20 5 CDBDRO C[C@@H]1CC2(C[N@@H+]1Cn1nccc1[N+](=O)[O-])CCOCC2 ZINC000842638083 937066393 /nfs/dbraw/zinc/06/63/93/937066393.db2.gz HUUJEQIVSMNHBG-LLVKDONJSA-N 1 0 280.328 1.640 20 5 CDBDRO CCC[N@H+](CCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776271944 926524152 /nfs/dbraw/zinc/52/41/52/926524152.db2.gz PENREKRLRGNQAE-CYBMUJFWSA-N 1 0 268.313 1.333 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC000776270202 926524407 /nfs/dbraw/zinc/52/44/07/926524407.db2.gz APKJHXDAGFOXLL-CHWSQXEVSA-N 1 0 266.297 1.085 20 5 CDBDRO C[C@@H](CCO)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843079397 937110026 /nfs/dbraw/zinc/11/00/26/937110026.db2.gz YIKXDXKFQREJNS-GWCFXTLKSA-N 1 0 268.313 1.236 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(CC[NH3+])n2)c1 ZINC000843222809 937122649 /nfs/dbraw/zinc/12/26/49/937122649.db2.gz KMXCZCUJWIDOBB-UHFFFAOYSA-N 1 0 278.268 1.078 20 5 CDBDRO CC(C)(CCc1noc([C@]2(C)CC[NH2+]C2)n1)[N+](=O)[O-] ZINC000843235114 937124301 /nfs/dbraw/zinc/12/43/01/937124301.db2.gz ZQTGDDQDNIEJMC-GFCCVEGCSA-N 1 0 268.317 1.309 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@@H](C)CC[NH3+])c1[N+](=O)[O-] ZINC000843455413 937152837 /nfs/dbraw/zinc/15/28/37/937152837.db2.gz OPJUNYWWAISFPE-QMMMGPOBSA-N 1 0 269.276 1.509 20 5 CDBDRO CC[N+](C)(C)Cc1ccccc1NCCn1cnnc1 ZINC001168874900 927517019 /nfs/dbraw/zinc/51/70/19/927517019.db2.gz JEGPYYFIZLBLST-UHFFFAOYSA-N 1 0 274.392 1.987 20 5 CDBDRO CC(C)(C)c1ccc(-n2nnnc2C[NH3+])c([N+](=O)[O-])c1 ZINC001168919883 927539334 /nfs/dbraw/zinc/53/93/34/927539334.db2.gz AKCSRUWAJVJUQH-UHFFFAOYSA-N 1 0 276.300 1.327 20 5 CDBDRO O=C(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)Nc1ccccc1 ZINC001168976982 927563703 /nfs/dbraw/zinc/56/37/03/927563703.db2.gz GNHWWXHTDXZSTF-DGCLKSJQSA-N 1 0 277.324 1.660 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)C1 ZINC001168961193 927582677 /nfs/dbraw/zinc/58/26/77/927582677.db2.gz HRFNPOHSVAOBQO-HQRZJTNHSA-N 1 0 276.336 1.680 20 5 CDBDRO CC(C)c1nc(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)no1 ZINC001168963872 927586400 /nfs/dbraw/zinc/58/64/00/927586400.db2.gz QLABDJKYMJBMSM-QWRGUYRKSA-N 1 0 282.344 1.771 20 5 CDBDRO COc1cc(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)ccc1O ZINC001168966544 927588889 /nfs/dbraw/zinc/58/88/89/927588889.db2.gz JKLXHRQAEHAZGD-CHWSQXEVSA-N 1 0 294.351 1.978 20 5 CDBDRO CSCC[C@@H](CO)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168965537 927588925 /nfs/dbraw/zinc/58/89/25/927588925.db2.gz ALIOFWGHAXBJPK-DCAQKATOSA-N 1 0 262.375 1.135 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)C1 ZINC001168969096 927591439 /nfs/dbraw/zinc/59/14/39/927591439.db2.gz CBYVRGHYTJPDJD-FDYHWXHSSA-N 1 0 256.346 1.573 20 5 CDBDRO Cc1ncc(CO)c(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1O ZINC001168973456 927597383 /nfs/dbraw/zinc/59/73/83/927597383.db2.gz OTRYQGIZXHUXIV-PWSUYJOCSA-N 1 0 295.339 1.123 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3ccccc3)COC2)C1 ZINC001168974969 927599438 /nfs/dbraw/zinc/59/94/38/927599438.db2.gz UCWXTTJZWDIVMX-JSGCOSHPSA-N 1 0 276.336 1.947 20 5 CDBDRO COC(=O)[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169001301 927605132 /nfs/dbraw/zinc/60/51/32/927605132.db2.gz FKPXJCDERAWBSN-YFKTTZPYSA-N 1 0 270.329 1.363 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2ccncn2)C1 ZINC001169003114 927606665 /nfs/dbraw/zinc/60/66/65/927606665.db2.gz NPPCCUKXFXGONE-JQWIXIFHSA-N 1 0 250.302 1.054 20 5 CDBDRO CC[C@H](C)[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)N(C)C ZINC001169004893 927607542 /nfs/dbraw/zinc/60/75/42/927607542.db2.gz RSTKSDBGYOFYCK-CYDGBPFRSA-N 1 0 285.388 1.524 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+](CCO)Cc2ccccc2)C1 ZINC001169009463 927614594 /nfs/dbraw/zinc/61/45/94/927614594.db2.gz WJZHYKWITMVHLX-CABCVRRESA-N 1 0 278.352 1.926 20 5 CDBDRO C[N@H+](CC1CCOCC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169010038 927614619 /nfs/dbraw/zinc/61/46/19/927614619.db2.gz AJYFIYPOKDNIHM-STQMWFEESA-N 1 0 256.346 1.790 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCc3cc(CO)ccc3C2)C1 ZINC001169011263 927616976 /nfs/dbraw/zinc/61/69/76/927616976.db2.gz JAVRGBSVGWXWPO-BLLLJJGKSA-N 1 0 290.363 1.982 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3CCCO[C@@H]3C2)C1 ZINC001169010721 927617758 /nfs/dbraw/zinc/61/77/58/927617758.db2.gz FUEGNQWNWCFWSV-YIYPIFLZSA-N 1 0 268.357 1.933 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc(F)ccn2)C1 ZINC001168987953 927624282 /nfs/dbraw/zinc/62/42/82/927624282.db2.gz LQDGYULGBIMMNL-ONGXEEELSA-N 1 0 253.277 1.756 20 5 CDBDRO CCOC(=O)[C@H](C)C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168988447 927626846 /nfs/dbraw/zinc/62/68/46/927626846.db2.gz SKOGLCJXMXLKCP-MXWKQRLJSA-N 1 0 258.318 1.221 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@]3(CCO3)C2)C1 ZINC001169035596 927644614 /nfs/dbraw/zinc/64/46/14/927644614.db2.gz KTNQXUKSQCTHHL-JHJVBQTASA-N 1 0 254.330 1.687 20 5 CDBDRO COC(=O)C[N@H+](C1CCCC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039310 927649975 /nfs/dbraw/zinc/64/99/75/927649975.db2.gz PMECEFRTQXNBAN-YPMHNXCESA-N 1 0 284.356 1.849 20 5 CDBDRO COC(=O)C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169038650 927651721 /nfs/dbraw/zinc/65/17/21/927651721.db2.gz JVIIVSBMIQUAJI-RWMBFGLXSA-N 1 0 284.356 1.707 20 5 CDBDRO COC(=O)[C@H](C(C)C)[N@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039975 927653185 /nfs/dbraw/zinc/65/31/85/927653185.db2.gz WNDWBEHPVZIBLT-TUAOUCFPSA-N 1 0 272.345 1.561 20 5 CDBDRO O=C1NC2(CO1)CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169040074 927654968 /nfs/dbraw/zinc/65/49/68/927654968.db2.gz XOAHOFPUNKBDSO-GHMZBOCLSA-N 1 0 283.328 1.006 20 5 CDBDRO CCO[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H]2CCCO[C@H]12 ZINC001169018991 927659460 /nfs/dbraw/zinc/65/94/60/927659460.db2.gz FXPSPRKGOYIIRF-RYPNDVFKSA-N 1 0 298.383 1.700 20 5 CDBDRO CC(C)(C)C(=O)N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169046714 927665515 /nfs/dbraw/zinc/66/55/15/927665515.db2.gz MCXQYDNQMOCVFL-STQMWFEESA-N 1 0 297.399 1.622 20 5 CDBDRO O=C(N[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)C1CC1 ZINC001169055386 927671898 /nfs/dbraw/zinc/67/18/98/927671898.db2.gz PWOOVRCVUXPBDB-BNOWGMLFSA-N 1 0 295.383 1.422 20 5 CDBDRO COc1cc2c(cn1)CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169057730 927676081 /nfs/dbraw/zinc/67/60/81/927676081.db2.gz XMXLFZHSQOATLA-FZMZJTMJSA-N 1 0 291.351 1.894 20 5 CDBDRO C[C@@H]1[C@H](C)N(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000776597112 927794150 /nfs/dbraw/zinc/79/41/50/927794150.db2.gz HJIPJSSFBRMFFB-XUJVJEKNSA-N 1 0 293.367 1.653 20 5 CDBDRO Cc1ccc2c(ccnc2-n2nncc2C[NH3+])c1[N+](=O)[O-] ZINC001169309056 927946033 /nfs/dbraw/zinc/94/60/33/927946033.db2.gz XLGKEIHKUBNPKL-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO COC(=O)[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000853129184 927957319 /nfs/dbraw/zinc/95/73/19/927957319.db2.gz GHLHAJRTRGLPPA-GVXVVHGQSA-N 1 0 294.307 1.169 20 5 CDBDRO CC(C)[NH2+]Cc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000854134512 928161518 /nfs/dbraw/zinc/16/15/18/928161518.db2.gz NPYNBPQEJMCTTN-UHFFFAOYSA-N 1 0 277.284 1.725 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2ncnc(NCC[C@H]3CCC[NH2+]3)c12 ZINC001169562801 928178101 /nfs/dbraw/zinc/17/81/01/928178101.db2.gz KJJCERVKHIEXQU-MRVPVSSYSA-N 1 0 276.300 1.372 20 5 CDBDRO [NH3+]Cc1ccn(-c2ccc([N+](=O)[O-])c3c2CNC3=O)c1 ZINC001169725790 928346869 /nfs/dbraw/zinc/34/68/69/928346869.db2.gz LHJRAWDEFNSJSX-UHFFFAOYSA-N 1 0 272.264 1.088 20 5 CDBDRO COc1nc(NC(C)(C)CC[NH+](C)C)nc(C)c1[N+](=O)[O-] ZINC001169711592 928366029 /nfs/dbraw/zinc/36/60/29/928366029.db2.gz MZNFLCQAXINGHC-UHFFFAOYSA-N 1 0 297.359 1.844 20 5 CDBDRO Cn1cc(NC(C)(C)CC[NH+](C)C)cc([N+](=O)[O-])c1=O ZINC001169717431 928375899 /nfs/dbraw/zinc/37/58/99/928375899.db2.gz GGMAPSZJAPUSLO-UHFFFAOYSA-N 1 0 282.344 1.436 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855812460 928490502 /nfs/dbraw/zinc/49/05/02/928490502.db2.gz VOAIWOOCXBJVOH-CYZMBNFOSA-N 1 0 281.356 1.175 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000858561973 928889105 /nfs/dbraw/zinc/88/91/05/928889105.db2.gz GRZCHQFMIODSNH-IWIIMEHWSA-N 1 0 265.288 1.730 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(NC[C@H]2COCC[NH2+]2)c1 ZINC001170044133 929129094 /nfs/dbraw/zinc/12/90/94/929129094.db2.gz KESUQQXTSSDQNC-QMMMGPOBSA-N 1 0 271.704 1.649 20 5 CDBDRO O=[N+]([O-])c1cccc2c1ccnc2N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001170773822 929920607 /nfs/dbraw/zinc/92/06/07/929920607.db2.gz QQRBOANHOWIVME-BXKDBHETSA-N 1 0 288.307 1.135 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(N[C@H]2C[NH2+]C[C@@H]2CO)c1 ZINC001170781137 929967097 /nfs/dbraw/zinc/96/70/97/929967097.db2.gz PULULYWLHJPWTM-HQJQHLMTSA-N 1 0 271.704 1.240 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000882480556 930008500 /nfs/dbraw/zinc/00/85/00/930008500.db2.gz JDAPTWHQRNYINS-JTQLQIEISA-N 1 0 278.312 1.122 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000882488016 930014416 /nfs/dbraw/zinc/01/44/16/930014416.db2.gz NESQIBQVJIBXKW-CQSZACIVSA-N 1 0 291.351 1.738 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815598108 930061365 /nfs/dbraw/zinc/06/13/65/930061365.db2.gz MXHDVOOJZXKYCW-PSASIEDQSA-N 1 0 251.286 1.617 20 5 CDBDRO C[NH+](C)C[C@@H](O)CNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000717275010 930345582 /nfs/dbraw/zinc/34/55/82/930345582.db2.gz BSACPBSZDZIJCO-VIFPVBQESA-N 1 0 289.282 1.867 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[NH3+])c1C ZINC000884274464 930505840 /nfs/dbraw/zinc/50/58/40/930505840.db2.gz NOINCZYBOBACHK-QMMMGPOBSA-N 1 0 251.286 1.289 20 5 CDBDRO C[C@@H]1C[C@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818957693 930742859 /nfs/dbraw/zinc/74/28/59/930742859.db2.gz ZGRCFVCGJKHDNY-CDMKHQONSA-N 1 0 250.298 1.874 20 5 CDBDRO C[C@@H]1COCC[C@@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819306933 930781756 /nfs/dbraw/zinc/78/17/56/930781756.db2.gz ZULDKGZSONNDAS-UXIGCNINSA-N 1 0 294.351 1.890 20 5 CDBDRO CO[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000819333050 930788723 /nfs/dbraw/zinc/78/87/23/930788723.db2.gz FRVKHVYCUZHAQV-KGLIPLIRSA-N 1 0 280.324 1.643 20 5 CDBDRO CC(C)[NH2+][C@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886065086 930798045 /nfs/dbraw/zinc/79/80/45/930798045.db2.gz PAJXVZJODKGZHQ-ZDUSSCGKSA-N 1 0 278.356 1.952 20 5 CDBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886222705 930829883 /nfs/dbraw/zinc/82/98/83/930829883.db2.gz ADMLQLGIHUCRBL-VXGBXAGGSA-N 1 0 265.313 1.583 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886830437 930971757 /nfs/dbraw/zinc/97/17/57/930971757.db2.gz QTAOXAANBDOPTA-WDEREUQCSA-N 1 0 264.329 1.549 20 5 CDBDRO COC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000886918186 930993784 /nfs/dbraw/zinc/99/37/84/930993784.db2.gz TZLFDHMJEXTXRT-OLZOCXBDSA-N 1 0 295.339 1.521 20 5 CDBDRO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[NH2+]C1 ZINC000887403640 931082515 /nfs/dbraw/zinc/08/25/15/931082515.db2.gz BVHDEABHINJXDQ-SNVBAGLBSA-N 1 0 296.302 1.950 20 5 CDBDRO C[NH2+]CCc1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000822722924 931196650 /nfs/dbraw/zinc/19/66/50/931196650.db2.gz LYDLVLHXQZIMGQ-UHFFFAOYSA-N 1 0 262.269 1.715 20 5 CDBDRO CO[C@H](C[NH3+])Cc1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000822723125 931197037 /nfs/dbraw/zinc/19/70/37/931197037.db2.gz QQCOEBUGSLOEDC-JTQLQIEISA-N 1 0 292.295 1.469 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000822863991 931215748 /nfs/dbraw/zinc/21/57/48/931215748.db2.gz WFMZLGQZJCZRLU-YUMQZZPRSA-N 1 0 277.284 1.414 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823025254 931245208 /nfs/dbraw/zinc/24/52/08/931245208.db2.gz NOBGXDLTSJLEDK-NSHDSACASA-N 1 0 273.377 1.668 20 5 CDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000887939017 931264065 /nfs/dbraw/zinc/26/40/65/931264065.db2.gz KKCZPEGQKYTELA-DOMZBBRYSA-N 1 0 289.335 1.619 20 5 CDBDRO CC(C)(CCc1noc([C@@H]2C[C@]23CC[NH2+]C3)n1)[N+](=O)[O-] ZINC000823234887 931270702 /nfs/dbraw/zinc/27/07/02/931270702.db2.gz LWACEKFPQAIUBJ-ZANVPECISA-N 1 0 280.328 1.525 20 5 CDBDRO C[C@@H](c1nc(-c2ccc([N+](=O)[O-])o2)no1)[C@H](C)[NH3+] ZINC000823269117 931279872 /nfs/dbraw/zinc/27/98/72/931279872.db2.gz CZKKXXJJHSHAKU-RITPCOANSA-N 1 0 252.230 1.689 20 5 CDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001154064413 937499383 /nfs/dbraw/zinc/49/93/83/937499383.db2.gz KULSGNJDWXLZIW-UHFFFAOYSA-N 1 0 277.324 1.601 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCC[NH2+]CC1)C2 ZINC001246521888 931571860 /nfs/dbraw/zinc/57/18/60/931571860.db2.gz BGMGGCIYWJCVRB-CQSZACIVSA-N 1 0 261.325 1.357 20 5 CDBDRO CO[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001118091480 937589706 /nfs/dbraw/zinc/58/97/06/937589706.db2.gz XDDUNWBMVKAYIX-BNOWGMLFSA-N 1 0 280.324 1.785 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC001118205063 937602510 /nfs/dbraw/zinc/60/25/10/937602510.db2.gz HKPVXJNBFLDWSJ-DTWKUNHWSA-N 1 0 280.328 1.492 20 5 CDBDRO Cc1c(C)c([N+](=O)[O-])cnc1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001155038070 937624819 /nfs/dbraw/zinc/62/48/19/937624819.db2.gz IZIWESQWZIRLMQ-UWVGGRQHSA-N 1 0 268.292 1.719 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC001155188322 937646363 /nfs/dbraw/zinc/64/63/63/937646363.db2.gz ATEUCPQNZSBDOV-RKDXNWHRSA-N 1 0 273.296 1.700 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CCC(=O)NC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000089753034 934808768 /nfs/dbraw/zinc/80/87/68/934808768.db2.gz RUTRXQBXVAGTHU-GZMMTYOYSA-N 1 0 277.280 1.051 20 5 CDBDRO O=[N+]([O-])c1cccc(CN2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000415132236 935057908 /nfs/dbraw/zinc/05/79/08/935057908.db2.gz CCVPYTHPWDVXST-AWEZNQCLSA-N 1 0 261.325 1.923 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CCOCC23CC3)cc1 ZINC000801982447 936019785 /nfs/dbraw/zinc/01/97/85/936019785.db2.gz PYBZBKSZHPCZRI-ZDUSSCGKSA-N 1 0 278.308 1.493 20 5 CDBDRO C[C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)n2)CC[NH2+]1 ZINC001156680530 938405675 /nfs/dbraw/zinc/40/56/75/938405675.db2.gz QBUZTHRTBORPMC-SSDOTTSWSA-N 1 0 256.693 1.441 20 5 CDBDRO Cc1ccnc(NC(=N)SCC[NH3+])c1[N+](=O)[O-] ZINC001157128513 938457429 /nfs/dbraw/zinc/45/74/29/938457429.db2.gz PPDONONKJFXNKY-UHFFFAOYSA-N 1 0 255.303 1.337 20 5 CDBDRO COC(=O)c1cnc(NC2(C)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001157401523 938486964 /nfs/dbraw/zinc/48/69/64/938486964.db2.gz LKTYAUVIZLPQTP-UHFFFAOYSA-N 1 0 294.311 1.330 20 5 CDBDRO O=[N+]([O-])c1ccc2ccnc(N3C[C@@H]4C[NH2+][C@@H]4C3)c2c1 ZINC001157622737 938521595 /nfs/dbraw/zinc/52/15/95/938521595.db2.gz CBOOFSITVJKFAR-GXFFZTMASA-N 1 0 270.292 1.551 20 5 CDBDRO C[C@@H]1[C@@H]([NH3+])CCCN1c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001157733624 938537783 /nfs/dbraw/zinc/53/77/83/938537783.db2.gz RAIGAISBYWGHEJ-APPZFPTMSA-N 1 0 281.272 1.214 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2cc(CC[NH3+])cn2)n1 ZINC001158098913 938582498 /nfs/dbraw/zinc/58/24/98/938582498.db2.gz OEKQNVKZYJPGRH-UHFFFAOYSA-N 1 0 281.703 1.639 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[N@@H+]2CC[C@@H]2C1 ZINC001158423536 938621602 /nfs/dbraw/zinc/62/16/02/938621602.db2.gz KZTANPUXMSIOSV-SECBINFHSA-N 1 0 252.249 1.023 20 5 CDBDRO Cc1c(C)c(N2CCC3(C[NH2+]C3)CC2)ncc1[N+](=O)[O-] ZINC001159043448 938696136 /nfs/dbraw/zinc/69/61/36/938696136.db2.gz ZZPCLUURJHEPIR-UHFFFAOYSA-N 1 0 276.340 1.796 20 5 CDBDRO CCOC(=O)c1ccnc(N(C)C(C)(C)C[NH3+])c1[N+](=O)[O-] ZINC001159059443 938698669 /nfs/dbraw/zinc/69/86/69/938698669.db2.gz GQUIGYCAYGBXFA-UHFFFAOYSA-N 1 0 296.327 1.340 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(NCC2C[NH+](C)C2)n1 ZINC001159219308 938713238 /nfs/dbraw/zinc/71/32/38/938713238.db2.gz ZZTKHFUSLSYPHV-UHFFFAOYSA-N 1 0 270.720 1.925 20 5 CDBDRO [NH3+]Cc1ccc(Nc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])cn1 ZINC001160401975 938784321 /nfs/dbraw/zinc/78/43/21/938784321.db2.gz GRYUFPSWSIINKJ-UHFFFAOYSA-N 1 0 295.686 1.479 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](Nc2cc([N+](=O)[O-])c3nccn3c2)C1 ZINC001162402699 939046197 /nfs/dbraw/zinc/04/61/97/939046197.db2.gz VRYTZVHUMTXULV-VHSXEESVSA-N 1 0 275.312 1.924 20 5 CDBDRO COc1cnc(NC[C@]2(F)CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001162579389 939091684 /nfs/dbraw/zinc/09/16/84/939091684.db2.gz JRJVACMAUBFWJE-ZDUSSCGKSA-N 1 0 298.318 1.892 20 5 CDBDRO Cc1c([N+](=O)[O-])cc(F)cc1-n1nccc1C[NH3+] ZINC001162593360 939096973 /nfs/dbraw/zinc/09/69/73/939096973.db2.gz JBWXRDATMQFEMT-UHFFFAOYSA-N 1 0 250.233 1.687 20 5 CDBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cc([N+](=O)[O-])ccc2Cl)N1 ZINC001163250950 939232424 /nfs/dbraw/zinc/23/24/24/939232424.db2.gz PSGPONRLVJZCLN-JQWIXIFHSA-N 1 0 296.714 1.238 20 5 CDBDRO Cc1c(F)cc([N+](=O)[O-])cc1N[C@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001163254709 939233342 /nfs/dbraw/zinc/23/33/42/939233342.db2.gz PMHHZAQVRLBGAN-AAEUAGOBSA-N 1 0 294.286 1.032 20 5 CDBDRO C[NH2+]CCN(C)c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001163719011 939313978 /nfs/dbraw/zinc/31/39/78/939313978.db2.gz JGWWOVQMGZUNAD-UHFFFAOYSA-N 1 0 260.297 1.799 20 5 CDBDRO COc1cc(N2C[C@H](C)CC[C@@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC001164072189 939405908 /nfs/dbraw/zinc/40/59/08/939405908.db2.gz XNUSSUKFSLYHRX-NXEZZACHSA-N 1 0 280.328 1.562 20 5 CDBDRO Cc1c(N2CC[C@H]([NH3+])C2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001164281495 939445619 /nfs/dbraw/zinc/44/56/19/939445619.db2.gz FFYXAMCJMXYKIM-QMMMGPOBSA-N 1 0 266.257 1.349 20 5 CDBDRO COc1cc(N2C[C@H](C[NH3+])CC[C@@H]2C)ncc1[N+](=O)[O-] ZINC001164462868 939476060 /nfs/dbraw/zinc/47/60/60/939476060.db2.gz VIPYASCRQFFNDN-UWVGGRQHSA-N 1 0 280.328 1.562 20 5 CDBDRO [NH3+][C@@]12C[C@@H]1CCN(c1cnc3ccc([N+](=O)[O-])cc3n1)C2 ZINC001165324044 939545209 /nfs/dbraw/zinc/54/52/09/939545209.db2.gz FSIPEFSTJXFBKE-LKFCYVNXSA-N 1 0 285.307 1.466 20 5 CDBDRO Cc1nc2c(n1-c1ncc(C)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC001165352428 939550241 /nfs/dbraw/zinc/55/02/41/939550241.db2.gz TZSYKTJYQSZTFZ-UHFFFAOYSA-N 1 0 287.323 1.481 20 5 CDBDRO CCN(c1ncc(C)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000090692631 940689102 /nfs/dbraw/zinc/68/91/02/940689102.db2.gz JSVVZMSLWFNLGO-NSHDSACASA-N 1 0 264.329 1.877 20 5 CDBDRO CC[C@@H](C)C[C@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000400987676 940862237 /nfs/dbraw/zinc/86/22/37/940862237.db2.gz ZHKZXKFDGZUEFF-MFKMUULPSA-N 1 0 279.340 1.975 20 5 CDBDRO N[C@@H](C[NH3+])C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218980005 941296204 /nfs/dbraw/zinc/29/62/04/941296204.db2.gz PAODVABIGQCDMP-NSHDSACASA-N 1 0 281.319 1.008 20 5 CDBDRO C[N+](C)(C)CCCOC1CCN(c2ncccn2)CC1 ZINC001224618813 941776332 /nfs/dbraw/zinc/77/63/32/941776332.db2.gz IIPLWNASABVYKP-UHFFFAOYSA-N 1 0 279.408 1.558 20 5 CDBDRO CCOC(=O)N1CCC(OCCC[N+](C)(C)C)CC1 ZINC001224620771 941777225 /nfs/dbraw/zinc/77/72/25/941777225.db2.gz AZWNCSNKLUGTCN-UHFFFAOYSA-N 1 0 273.397 1.720 20 5 CDBDRO C[N+](C)(C)CCOC1CCN(c2ccc(Cl)nn2)CC1 ZINC001224771625 941790156 /nfs/dbraw/zinc/79/01/56/941790156.db2.gz PJMHTIOJEXWHHK-UHFFFAOYSA-N 1 0 299.826 1.822 20 5 CDBDRO CC(C)(C)OC(=O)N1CC=C[C@H](OCC[N+](C)(C)C)C1 ZINC001224776483 941790209 /nfs/dbraw/zinc/79/02/09/941790209.db2.gz WFBQFXXVUDKJAD-ZDUSSCGKSA-N 1 0 285.408 1.885 20 5 CDBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)ncc1[N+](=O)[O-] ZINC001225661499 941895973 /nfs/dbraw/zinc/89/59/73/941895973.db2.gz LCIYOPGSKYKOHV-SNVBAGLBSA-N 1 0 254.310 1.772 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(OCC[N@H+]2CC[C@@H](OC)C2)c1 ZINC001226446043 942006574 /nfs/dbraw/zinc/00/65/74/942006574.db2.gz LJWRYZTYPDFUQY-GFCCVEGCSA-N 1 0 296.323 1.703 20 5 CDBDRO Cc1nc(Cl)nc(O[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001227337443 942167921 /nfs/dbraw/zinc/16/79/21/942167921.db2.gz GNIYUEUMMYGETE-VIFPVBQESA-N 1 0 298.730 1.820 20 5 CDBDRO COc1cccc([N+](=O)[O-])c1O[C@@H]1CC[N@H+](C)C1 ZINC001227697269 942206550 /nfs/dbraw/zinc/20/65/50/942206550.db2.gz OMHAAOPYDPIUAZ-SECBINFHSA-N 1 0 252.270 1.686 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001227745736 942218634 /nfs/dbraw/zinc/21/86/34/942218634.db2.gz NQCFZMUOQOOOJU-SNVBAGLBSA-N 1 0 276.296 1.944 20 5 CDBDRO COC(=O)c1cc(O)cc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001228092501 942268190 /nfs/dbraw/zinc/26/81/90/942268190.db2.gz JZJZTJMVHSRNCN-JTQLQIEISA-O 1 0 268.333 1.652 20 5 CDBDRO COC(=O)Cc1ccccc1O[C@H](C)C[N+](C)(C)C ZINC001228268208 942286772 /nfs/dbraw/zinc/28/67/72/942286772.db2.gz AYJMIENLBFKTRJ-GFCCVEGCSA-N 1 0 266.361 1.876 20 5 CDBDRO CCOC(=O)c1cncc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001228557812 942334709 /nfs/dbraw/zinc/33/47/09/942334709.db2.gz CQSOXDFLUXTGEV-LLVKDONJSA-N 1 0 267.349 1.732 20 5 CDBDRO CSc1cc(C)nc(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001229076118 942415510 /nfs/dbraw/zinc/41/55/10/942415510.db2.gz PQISVUCFUWDCIH-JTQLQIEISA-N 1 0 256.395 1.980 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC001230312817 942605025 /nfs/dbraw/zinc/60/50/25/942605025.db2.gz LVQKDYXABIUWSW-MRVPVSSYSA-N 1 0 267.241 1.586 20 5 CDBDRO COC(=O)c1cnc(O[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001233863516 943675325 /nfs/dbraw/zinc/67/53/25/943675325.db2.gz XDGJIUIVURLGGD-QMMMGPOBSA-N 1 0 283.284 1.105 20 5 CDBDRO COC(=O)c1ccc2[nH]nc(O[C@@H](C)C[N+](C)(C)C)c2c1 ZINC001234033279 943720981 /nfs/dbraw/zinc/72/09/81/943720981.db2.gz UTPQHZUPAIKDSH-JTQLQIEISA-O 1 0 292.359 1.823 20 5 CDBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001263216791 943791806 /nfs/dbraw/zinc/79/18/06/943791806.db2.gz XVSWONVXSUFBOJ-VHSXEESVSA-N 1 0 293.298 1.415 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000722170239 943962655 /nfs/dbraw/zinc/96/26/55/943962655.db2.gz HLXJXAZNJUUSBW-QMMMGPOBSA-N 1 0 285.731 1.976 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@H]2CC[C@@H](OC)C2)c1[N+](=O)[O-] ZINC001262365980 946613189 /nfs/dbraw/zinc/61/31/89/946613189.db2.gz QSCKJADKFILUMK-WDEREUQCSA-N 1 0 296.323 1.966 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCNC(=O)C1 ZINC001254535802 947516397 /nfs/dbraw/zinc/51/63/97/947516397.db2.gz LGFLNGJVQASAGG-PWSUYJOCSA-N 1 0 277.324 1.394 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001254551823 947522679 /nfs/dbraw/zinc/52/26/79/947522679.db2.gz GGWMTGBBRAUKCP-KYOSRNDESA-N 1 0 294.351 1.201 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[N@@H+]2CC[C@H]1C2 ZINC001254560212 947523650 /nfs/dbraw/zinc/52/36/50/947523650.db2.gz PTGVYCZPMHUGOT-JSGCOSHPSA-N 1 0 275.352 1.916 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1(O)CCC1)C2 ZINC001254578807 947535688 /nfs/dbraw/zinc/53/56/88/947535688.db2.gz NVVYJHQNEVQOAV-LBPRGKRZSA-N 1 0 262.309 1.567 20 5 CDBDRO Cc1nccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254576391 947536231 /nfs/dbraw/zinc/53/62/31/947536231.db2.gz WGJHTKQHGJHISI-AWEZNQCLSA-N 1 0 284.319 1.950 20 5 CDBDRO O=C(C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)NC1CCC1 ZINC001254584812 947539396 /nfs/dbraw/zinc/53/93/96/947539396.db2.gz JVPVYMXDAVWQQJ-ZDUSSCGKSA-N 1 0 289.335 1.320 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@H](CO)C1)C2 ZINC001254597885 947545453 /nfs/dbraw/zinc/54/54/53/947545453.db2.gz IRNCDBHGFAWPHX-NHYWBVRUSA-N 1 0 276.336 1.766 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001248164319 948953424 /nfs/dbraw/zinc/95/34/24/948953424.db2.gz GMLQYPFKECFFJP-JGVFFNPUSA-N 1 0 293.258 1.774 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001325371100 953868405 /nfs/dbraw/zinc/86/84/05/953868405.db2.gz JPOUPSHTJWPVRU-SECBINFHSA-N 1 0 278.312 1.010 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CC[NH3+] ZINC001326087169 954211840 /nfs/dbraw/zinc/21/18/40/954211840.db2.gz IDXDAJWNOQUMBU-QMMMGPOBSA-N 1 0 266.301 1.104 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC001332398886 957548081 /nfs/dbraw/zinc/54/80/81/957548081.db2.gz BXCYWOCTDXFDOA-SSDOTTSWSA-N 1 0 284.291 1.044 20 5 CDBDRO CCN(CC[NH3+])C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001335318680 959707788 /nfs/dbraw/zinc/70/77/88/959707788.db2.gz VYQLRQSZEBKSLU-JTQLQIEISA-N 1 0 280.328 1.646 20 5 CDBDRO C[C@@H]1CN(CCN2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001321373426 959751634 /nfs/dbraw/zinc/75/16/34/959751634.db2.gz RMYYRHKSOSBEBS-GFCCVEGCSA-N 1 0 291.351 1.631 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+]1CC=CC1 ZINC001322351770 960190880 /nfs/dbraw/zinc/19/08/80/960190880.db2.gz PEIOIRLXRDZMPP-UHFFFAOYSA-N 1 0 290.323 1.897 20 5 CDBDRO C[C@@H](CC[NH2+]CC[N+](=O)[O-])N(C)C(=O)OC(C)(C)C ZINC001336294678 960292106 /nfs/dbraw/zinc/29/21/06/960292106.db2.gz JJYGFZPBMONDER-JTQLQIEISA-N 1 0 275.349 1.498 20 5 CDBDRO CC[C@@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[NH+](C)C ZINC001322966890 960384018 /nfs/dbraw/zinc/38/40/18/960384018.db2.gz PMEPYZAXTJRPFT-ZDUSSCGKSA-N 1 0 277.324 1.777 20 5 CDBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[N@@H+]1C1CCCC1 ZINC001336725153 960510718 /nfs/dbraw/zinc/51/07/18/960510718.db2.gz BORPHVDFMQSNNF-NSHDSACASA-N 1 0 291.355 1.838 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341657784 963500668 /nfs/dbraw/zinc/50/06/68/963500668.db2.gz HFMPSTLMKUEBPP-KPXOXKRLSA-N 1 0 263.297 1.162 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001342518450 963757518 /nfs/dbraw/zinc/75/75/18/963757518.db2.gz MVLATJHTKAPNMH-JOYOIKCWSA-N 1 0 265.313 1.770 20 5 CDBDRO Cc1ccc(C(=O)N[C@H]2C[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC001342975697 963876104 /nfs/dbraw/zinc/87/61/04/963876104.db2.gz CUPMPMQEKWTLAR-HOMQSWHASA-N 1 0 263.297 1.370 20 5 CDBDRO CC(C)NC(=[NH2+])NCCc1ccccc1[N+](=O)[O-] ZINC000849009941 969401757 /nfs/dbraw/zinc/40/17/57/969401757.db2.gz NCNVATDSLSJLCR-UHFFFAOYSA-N 1 0 250.302 1.660 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](CO)CC2CC2)c1 ZINC001356619051 969443930 /nfs/dbraw/zinc/44/39/30/969443930.db2.gz PMVJNRWNKBKISF-SWLSCSKDSA-N 1 0 294.351 1.626 20 5 CDBDRO CO[C@@H](C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000849326937 969936466 /nfs/dbraw/zinc/93/64/66/969936466.db2.gz LVZQCCBLRNIHNE-CABZTGNLSA-N 1 0 254.286 1.253 20 5 CDBDRO COc1ccc(C(=O)N2CC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC001523026764 970633914 /nfs/dbraw/zinc/63/39/14/970633914.db2.gz CZVHTAUIGJTTJZ-JTQLQIEISA-N 1 0 293.323 1.414 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000089108421 1173983545 /nfs/dbraw/zinc/98/35/45/1173983545.db2.gz FNKIPPXMQSEBJU-NXEZZACHSA-N 1 0 250.302 1.919 20 5 CDBDRO CC(C)Oc1nc(N[C@H]2C[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC001575818081 1171277488 /nfs/dbraw/zinc/27/74/88/1171277488.db2.gz HHSQWBPFKSLKJW-MGCOHNPYSA-N 1 0 280.328 1.926 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC001576747496 1171505228 /nfs/dbraw/zinc/50/52/28/1171505228.db2.gz BPAOSUUVMKZPRQ-LDYMZIIASA-N 1 0 278.312 1.504 20 5 CDBDRO CCOc1cc(NC(=O)N2CC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001578170517 1171825827 /nfs/dbraw/zinc/82/58/27/1171825827.db2.gz JVAYXELRRASIHV-VIFPVBQESA-N 1 0 294.311 1.558 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000124410122 187136679 /nfs/dbraw/zinc/13/66/79/187136679.db2.gz INXMRFUPJZONDC-LLVKDONJSA-N 1 0 292.339 1.217 20 5 CDBDRO COc1ccc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000320183444 341993351 /nfs/dbraw/zinc/99/33/51/341993351.db2.gz ZEWIBUQJGOVXIY-IUCAKERBSA-N 1 0 281.312 1.459 20 5 CDBDRO C[NH+](C)CC1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000601216567 342514314 /nfs/dbraw/zinc/51/43/14/342514314.db2.gz FLGUVTUAJGBAOZ-UHFFFAOYSA-N 1 0 278.312 1.620 20 5 CDBDRO C[NH+](C)C[C@H](CO)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000589102012 342496854 /nfs/dbraw/zinc/49/68/54/342496854.db2.gz TZTCNKQFPCZXLX-SNVBAGLBSA-N 1 0 290.323 1.477 20 5 CDBDRO C[NH+](C)C[C@H](CO)Nc1ccc([N+](=O)[O-])cc1F ZINC000589102101 342497006 /nfs/dbraw/zinc/49/70/06/342497006.db2.gz ZSRVCBZAHMXUNZ-MRVPVSSYSA-N 1 0 257.265 1.068 20 5 CDBDRO C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])c1ncc[nH]1 ZINC000590564723 342575937 /nfs/dbraw/zinc/57/59/37/342575937.db2.gz JSZFCTRXYBBPJO-SSDOTTSWSA-N 1 0 275.268 1.391 20 5 CDBDRO CC[NH+](CC)CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000046112479 342049978 /nfs/dbraw/zinc/04/99/78/342049978.db2.gz LVOSDKBEJJOIOJ-UHFFFAOYSA-N 1 0 295.339 1.432 20 5 CDBDRO COc1ccc(C[N@H+](C)C[C@@H]2COCCO2)cc1[N+](=O)[O-] ZINC000590703856 342582527 /nfs/dbraw/zinc/58/25/27/342582527.db2.gz HXIWIZQREIFFRW-GFCCVEGCSA-N 1 0 296.323 1.451 20 5 CDBDRO Cc1nc(NC[C@H]2CC[N@@H+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000590687814 342582903 /nfs/dbraw/zinc/58/29/03/342582903.db2.gz ZGBDZUNQEOELLD-LLVKDONJSA-N 1 0 279.344 1.257 20 5 CDBDRO O=[N+]([O-])c1ncccc1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000590722024 342583915 /nfs/dbraw/zinc/58/39/15/342583915.db2.gz FKOBMMFAPGDLNZ-PHIMTYICSA-N 1 0 278.312 1.265 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+]2CCCO)s1 ZINC000590708025 342585199 /nfs/dbraw/zinc/58/51/99/342585199.db2.gz RHVWUSBIDCWKPN-SNVBAGLBSA-N 1 0 285.369 1.915 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCCn1cncn1 ZINC000609140496 342091913 /nfs/dbraw/zinc/09/19/13/342091913.db2.gz SSGBIVYMJMBIJZ-UTCJRWHESA-N 1 0 287.323 1.879 20 5 CDBDRO C[C@@H]1CCC[N@H+](CCNc2c([N+](=O)[O-])ncn2C)C1 ZINC000048560081 342093119 /nfs/dbraw/zinc/09/31/19/342093119.db2.gz OTNIYWZRPNTXTP-SNVBAGLBSA-N 1 0 267.333 1.472 20 5 CDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1cccnc1[N+](=O)[O-] ZINC000609288923 342100528 /nfs/dbraw/zinc/10/05/28/342100528.db2.gz KNGABMJRQRXTIV-LLVKDONJSA-N 1 0 279.344 1.038 20 5 CDBDRO C[NH+]1CC2(C1)CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000618920886 349556113 /nfs/dbraw/zinc/55/61/13/349556113.db2.gz HHEFUFVFQMIBPJ-UHFFFAOYSA-N 1 0 293.298 1.512 20 5 CDBDRO C[C@@H](C[NH3+])CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591278227 342624133 /nfs/dbraw/zinc/62/41/33/342624133.db2.gz AHMRLBBNUJLAKO-VIFPVBQESA-N 1 0 281.312 1.050 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](C)[NH3+] ZINC000591299349 342624497 /nfs/dbraw/zinc/62/44/97/342624497.db2.gz HSHPTOULWBEYPY-ZETCQYMHSA-N 1 0 268.273 1.072 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000591361308 342628365 /nfs/dbraw/zinc/62/83/65/342628365.db2.gz SPCURWOUZIFBBC-VIFPVBQESA-N 1 0 266.301 1.083 20 5 CDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[NH3+] ZINC000591361339 342628371 /nfs/dbraw/zinc/62/83/71/342628371.db2.gz VUIZLPCZHPISHA-LLVKDONJSA-N 1 0 294.355 1.862 20 5 CDBDRO O=[N+]([O-])c1cccc(OCCN2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000591447842 342632783 /nfs/dbraw/zinc/63/27/83/342632783.db2.gz AMBHMJLLKUCYQE-SWLSCSKDSA-N 1 0 291.351 1.657 20 5 CDBDRO C[C@H]1CC2(C[N@@H+]1CCn1ccc([N+](=O)[O-])n1)CCOCC2 ZINC000592184014 342679803 /nfs/dbraw/zinc/67/98/03/342679803.db2.gz WZFHPVRHKKJDEU-LBPRGKRZSA-N 1 0 294.355 1.682 20 5 CDBDRO COc1cc(C(=O)N(C)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000125386928 187182928 /nfs/dbraw/zinc/18/29/28/187182928.db2.gz ZEZRMKRCWVKEPK-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO CNc1ccc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000592338192 342685757 /nfs/dbraw/zinc/68/57/57/342685757.db2.gz QMRSNBOUXWVFBN-UWVGGRQHSA-N 1 0 296.302 1.066 20 5 CDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC1CC[NH2+]CC1 ZINC000592158756 342670731 /nfs/dbraw/zinc/67/07/31/342670731.db2.gz OVGZIMJFJLEGJQ-UHFFFAOYSA-N 1 0 291.307 1.892 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000159759930 361831959 /nfs/dbraw/zinc/83/19/59/361831959.db2.gz XZKSENWZZWFSKV-QMMMGPOBSA-N 1 0 255.249 1.201 20 5 CDBDRO CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CC[NH2+]C1 ZINC000592427589 342694642 /nfs/dbraw/zinc/69/46/42/342694642.db2.gz FMEUEIGWQWEVJG-NSHDSACASA-N 1 0 293.323 1.160 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000592486914 342695752 /nfs/dbraw/zinc/69/57/52/342695752.db2.gz OOCCEAFDOPQTLK-RYUDHWBXSA-N 1 0 297.330 1.605 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070231895 361846825 /nfs/dbraw/zinc/84/68/25/361846825.db2.gz RDZIBRVYVDXBDR-UHFFFAOYSA-N 1 0 285.731 1.930 20 5 CDBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CC[N@H+](C)C1 ZINC000592830065 342741329 /nfs/dbraw/zinc/74/13/29/342741329.db2.gz AZZNVKFMTIIGOU-NSHDSACASA-N 1 0 294.355 1.490 20 5 CDBDRO C[C@@H]1[C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000592751415 342721758 /nfs/dbraw/zinc/72/17/58/342721758.db2.gz URRBPVYVHRWMCA-ZWNOBZJWSA-N 1 0 277.324 1.551 20 5 CDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC(=O)N1 ZINC000593031093 342755595 /nfs/dbraw/zinc/75/55/95/342755595.db2.gz RGNAFEUTKHHWLS-LBPRGKRZSA-N 1 0 277.324 1.348 20 5 CDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000368206054 295674892 /nfs/dbraw/zinc/67/48/92/295674892.db2.gz ZKQRETXAFSDXQE-IUCAKERBSA-N 1 0 267.260 1.025 20 5 CDBDRO CC(C)N(CC[NH+](C)C)c1ncc([N+](=O)[O-])s1 ZINC000192532256 361975269 /nfs/dbraw/zinc/97/52/69/361975269.db2.gz PAJFFCXOWOAVGV-UHFFFAOYSA-N 1 0 258.347 1.828 20 5 CDBDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000159513540 361992237 /nfs/dbraw/zinc/99/22/37/361992237.db2.gz PETHYBJMNMLEFF-ZJUUUORDSA-N 1 0 281.312 1.234 20 5 CDBDRO Cc1cnc(N[C@@H]2CC[C@H](C)[NH2+]C2)c([N+](=O)[O-])c1 ZINC000600955629 342257969 /nfs/dbraw/zinc/25/79/69/342257969.db2.gz OYODBUXNJANRCW-VHSXEESVSA-N 1 0 250.302 1.851 20 5 CDBDRO C[NH2+]C(C)(C)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000594640703 342939153 /nfs/dbraw/zinc/93/91/53/342939153.db2.gz MNCHNFKVFFVCQZ-UHFFFAOYSA-N 1 0 261.285 1.630 20 5 CDBDRO CC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000595077798 343002963 /nfs/dbraw/zinc/00/29/63/343002963.db2.gz XDMNWVUKYGIQCG-IJLUTSLNSA-N 1 0 282.344 1.636 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000595231234 343009662 /nfs/dbraw/zinc/00/96/62/343009662.db2.gz NZJYBXVAXLMWPB-SECBINFHSA-N 1 0 266.301 1.633 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000595264952 343015841 /nfs/dbraw/zinc/01/58/41/343015841.db2.gz UTZMIZNJWQNOFW-UHFFFAOYSA-N 1 0 294.355 1.516 20 5 CDBDRO CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000404728483 349776903 /nfs/dbraw/zinc/77/69/03/349776903.db2.gz AHEWYOAHRNOSBS-CHWSQXEVSA-N 1 0 263.341 1.853 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1CC[NH3+] ZINC000404343854 349771913 /nfs/dbraw/zinc/77/19/13/349771913.db2.gz GCBVFHDBIIAFBM-BXKDBHETSA-N 1 0 280.328 1.512 20 5 CDBDRO CC[C@@H]([NH2+]CCc1cn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000595418945 343054719 /nfs/dbraw/zinc/05/47/19/343054719.db2.gz GRIBVVPDXGLIJA-CYBMUJFWSA-N 1 0 275.312 1.996 20 5 CDBDRO CC(C)(C)CCCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515165795 362084006 /nfs/dbraw/zinc/08/40/06/362084006.db2.gz HWEFSSNLFPUQFN-CYBMUJFWSA-N 1 0 298.387 1.958 20 5 CDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1COCCO1 ZINC000595736399 343135872 /nfs/dbraw/zinc/13/58/72/343135872.db2.gz FNRUPNYIAPKLNL-AWEZNQCLSA-N 1 0 296.323 1.321 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000595927024 343183668 /nfs/dbraw/zinc/18/36/68/343183668.db2.gz NFFSFERAYPUTDT-NSHDSACASA-N 1 0 265.313 1.252 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000080389541 342352185 /nfs/dbraw/zinc/35/21/85/342352185.db2.gz XFQUZUUGBCEOFF-BQYQJAHWSA-N 1 0 277.324 1.628 20 5 CDBDRO Cc1cc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])s1 ZINC000596081988 343220383 /nfs/dbraw/zinc/22/03/83/343220383.db2.gz FUTCMYMTEDTWSI-RKDXNWHRSA-N 1 0 253.327 1.620 20 5 CDBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC1(CO)COC1 ZINC000089117115 342387778 /nfs/dbraw/zinc/38/77/78/342387778.db2.gz SXQNPMVHIZHSHH-UHFFFAOYSA-N 1 0 294.351 1.814 20 5 CDBDRO CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[NH2+]1 ZINC000596501838 343337512 /nfs/dbraw/zinc/33/75/12/343337512.db2.gz QJWVXBBXBDSLGE-NSHDSACASA-N 1 0 280.328 1.003 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCC[C@H]2O)c1 ZINC000051993394 362169727 /nfs/dbraw/zinc/16/97/27/362169727.db2.gz AVFXBGRIQYLYBW-CHWSQXEVSA-N 1 0 250.298 1.988 20 5 CDBDRO C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000093333402 342422078 /nfs/dbraw/zinc/42/20/78/342422078.db2.gz VSBNXKPUPPBVPH-RISCZKNCSA-N 1 0 280.324 1.676 20 5 CDBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(C)(CO)CO ZINC000093502567 342429323 /nfs/dbraw/zinc/42/93/23/342429323.db2.gz UOKXLHSCHWCORM-FNORWQNLSA-N 1 0 294.351 1.531 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000219755163 342439511 /nfs/dbraw/zinc/43/95/11/342439511.db2.gz JMGMWFCENDQOLT-DOGVGXBMSA-N 1 0 261.281 1.168 20 5 CDBDRO CCc1nn(C)c(N2CC[C@H]([NH+](CC)CC)C2)c1[N+](=O)[O-] ZINC000091728520 342406949 /nfs/dbraw/zinc/40/69/49/342406949.db2.gz BPINMMKHPYQHFT-NSHDSACASA-N 1 0 295.387 1.811 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000439157164 282256674 /nfs/dbraw/zinc/25/66/74/282256674.db2.gz FLKXPNGGXYBXRK-JTQLQIEISA-N 1 0 292.339 1.224 20 5 CDBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000290543364 197745338 /nfs/dbraw/zinc/74/53/38/197745338.db2.gz ASBFOBFXMNOJCM-SECBINFHSA-N 1 0 282.348 1.499 20 5 CDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C2 ZINC000598667816 343858777 /nfs/dbraw/zinc/85/87/77/343858777.db2.gz LMBSAQGGHZZPOU-QMTHXVAHSA-N 1 0 293.298 1.687 20 5 CDBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CC([NH3+])C1 ZINC000598913965 343919622 /nfs/dbraw/zinc/91/96/22/343919622.db2.gz SFLMKLBRAMWLRK-UHFFFAOYSA-N 1 0 282.275 1.687 20 5 CDBDRO Cc1cc(NC[C@H]2CCCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC000599138660 343959488 /nfs/dbraw/zinc/95/94/88/343959488.db2.gz ITZOYDOIYGVLTG-GFCCVEGCSA-N 1 0 278.356 1.864 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+](C2CC2)C2CC2)c1 ZINC000599595186 344088698 /nfs/dbraw/zinc/08/86/98/344088698.db2.gz SVTGQIPVMCXDEQ-CQSZACIVSA-N 1 0 292.335 1.961 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000402066459 344175582 /nfs/dbraw/zinc/17/55/82/344175582.db2.gz WNDLCRYLWNHBBU-ONGXEEELSA-N 1 0 266.297 1.870 20 5 CDBDRO CCN(CC[NH3+])C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000599919391 344152897 /nfs/dbraw/zinc/15/28/97/344152897.db2.gz VLGIULBLXPSXEZ-SNVBAGLBSA-N 1 0 280.328 1.646 20 5 CDBDRO Cc1c(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cccc1[N+](=O)[O-] ZINC000601568801 344201440 /nfs/dbraw/zinc/20/14/40/344201440.db2.gz VIFYQPFYAZKRDK-UWVGGRQHSA-N 1 0 276.296 1.481 20 5 CDBDRO CC1(C)C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000601964760 344297665 /nfs/dbraw/zinc/29/76/65/344297665.db2.gz TWBZCDVKGULRCY-SNVBAGLBSA-N 1 0 268.317 1.339 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N(CC)CC[NH3+] ZINC000602535030 344470567 /nfs/dbraw/zinc/47/05/67/344470567.db2.gz LRZLJZXJJXYEQH-UHFFFAOYSA-N 1 0 281.312 1.414 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC[C@]2(O)CCCOC2)cc1 ZINC000602706373 344549267 /nfs/dbraw/zinc/54/92/67/344549267.db2.gz OXSLJADMRWZWLX-OAHLLOKOSA-N 1 0 294.351 1.659 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCCOC(C)C ZINC000602776192 344578631 /nfs/dbraw/zinc/57/86/31/344578631.db2.gz AOXGTQQJNVMYIA-UHFFFAOYSA-N 1 0 284.360 1.847 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CO)C(C)(C)C ZINC000602820427 344609411 /nfs/dbraw/zinc/60/94/11/344609411.db2.gz LBFZODACTZFWQB-JTQLQIEISA-N 1 0 270.333 1.096 20 5 CDBDRO COC[C@@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602786131 344599238 /nfs/dbraw/zinc/59/92/38/344599238.db2.gz NAJDPQMYVJYIMP-GFCCVEGCSA-N 1 0 282.344 1.458 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000602817867 344607898 /nfs/dbraw/zinc/60/78/98/344607898.db2.gz VCFDMRMOPHZPFA-LOWVWBTDSA-N 1 0 296.371 1.581 20 5 CDBDRO CO[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000602896021 344652893 /nfs/dbraw/zinc/65/28/93/344652893.db2.gz HOBKUMRWPHGKPT-CYBMUJFWSA-N 1 0 282.296 1.278 20 5 CDBDRO COC[C@](C)(CO)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000602930700 344662044 /nfs/dbraw/zinc/66/20/44/344662044.db2.gz BNCIQRJNMISAKM-AWEZNQCLSA-N 1 0 298.339 1.351 20 5 CDBDRO CC[C@@]1(O)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000602982621 344674330 /nfs/dbraw/zinc/67/43/30/344674330.db2.gz VPCINWDRWFYTHI-GFCCVEGCSA-N 1 0 268.317 1.028 20 5 CDBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])C1(C)C ZINC000602841477 344622133 /nfs/dbraw/zinc/62/21/33/344622133.db2.gz OFHQCQGINLTWBY-OASPWFOLSA-N 1 0 296.371 1.749 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000128620669 344766215 /nfs/dbraw/zinc/76/62/15/344766215.db2.gz OYNSXIYEGVGPGM-HZMBPMFUSA-N 1 0 295.339 1.151 20 5 CDBDRO CC[N@@H+]1CCC[C@H](CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000604540534 344899332 /nfs/dbraw/zinc/89/93/32/344899332.db2.gz SLVRVSJBRHQJSU-SNVBAGLBSA-N 1 0 267.333 1.472 20 5 CDBDRO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)cs1 ZINC000344080351 362542793 /nfs/dbraw/zinc/54/27/93/362542793.db2.gz ZBCMXDTUYYBBJA-GARJFASQSA-N 1 0 268.338 1.859 20 5 CDBDRO COC(=O)C(C)(C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000093715908 345407770 /nfs/dbraw/zinc/40/77/70/345407770.db2.gz WFRSJWVNZBNRTN-UHFFFAOYSA-N 1 0 280.324 1.926 20 5 CDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000033092963 345441143 /nfs/dbraw/zinc/44/11/43/345441143.db2.gz MXXIFRKJIRHJTJ-SECBINFHSA-N 1 0 251.286 1.275 20 5 CDBDRO CC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000382775086 362595492 /nfs/dbraw/zinc/59/54/92/362595492.db2.gz OAKCJPIALZSLBE-UONOGXRCSA-N 1 0 296.371 1.711 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000609619913 345978988 /nfs/dbraw/zinc/97/89/88/345978988.db2.gz FOVWOUOSYXIVHK-ZDUSSCGKSA-N 1 0 291.351 1.547 20 5 CDBDRO CC1(C)C[NH2+]CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000088138585 346012130 /nfs/dbraw/zinc/01/21/30/346012130.db2.gz RNVKRAQEUIMZJO-UHFFFAOYSA-N 1 0 269.326 1.480 20 5 CDBDRO C[C@@H](Nc1c([N+](=O)[O-])ncn1C)C(C)(C)C[NH+](C)C ZINC000610210854 346219081 /nfs/dbraw/zinc/21/90/81/346219081.db2.gz DKCKGPSMOYLNHJ-SECBINFHSA-N 1 0 269.349 1.717 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000063465864 346255934 /nfs/dbraw/zinc/25/59/34/346255934.db2.gz YVDVRXHJQHMPFT-UHFFFAOYSA-N 1 0 279.340 1.975 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCC3CC3)CC2)cn1 ZINC000610367413 346264213 /nfs/dbraw/zinc/26/42/13/346264213.db2.gz AQYZVGBADDYBJL-UHFFFAOYSA-N 1 0 276.340 1.912 20 5 CDBDRO CCn1cnnc1CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000610658239 346335546 /nfs/dbraw/zinc/33/55/46/346335546.db2.gz QNCVZHNRTNIWDC-UHFFFAOYSA-N 1 0 289.339 1.847 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC3(O)CCC3)C2)nc1 ZINC000610710252 346364739 /nfs/dbraw/zinc/36/47/39/346364739.db2.gz DSKQDFHXQURMLJ-LLVKDONJSA-N 1 0 292.339 1.391 20 5 CDBDRO CC[N@@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611087480 346602294 /nfs/dbraw/zinc/60/22/94/346602294.db2.gz JVOXHWKVKKTUME-LBPRGKRZSA-N 1 0 291.351 1.690 20 5 CDBDRO CS[C@H]1CN(c2cccnc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000611242381 346716857 /nfs/dbraw/zinc/71/68/57/346716857.db2.gz NWQSSLHQPXLHGG-QWRGUYRKSA-N 1 0 282.369 1.472 20 5 CDBDRO C[C@]1(O)CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611275978 346733586 /nfs/dbraw/zinc/73/35/86/346733586.db2.gz CZRMRDQQLKBNIP-AWEZNQCLSA-N 1 0 294.307 1.323 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)CC2CC2)c(F)c1 ZINC000611498520 346804257 /nfs/dbraw/zinc/80/42/57/346804257.db2.gz ZMTWGRGBAFNJKJ-LLVKDONJSA-N 1 0 268.288 1.985 20 5 CDBDRO [NH3+]CCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000295627638 199595030 /nfs/dbraw/zinc/59/50/30/199595030.db2.gz HJTGUSXNMUOIBI-UHFFFAOYSA-N 1 0 263.297 1.435 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000068341991 347563139 /nfs/dbraw/zinc/56/31/39/347563139.db2.gz AXZSTSJISOLGBW-CYBMUJFWSA-N 1 0 277.324 1.761 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCC[NH3+] ZINC000122212490 347616417 /nfs/dbraw/zinc/61/64/17/347616417.db2.gz BQYHVLNSCSWBHW-UHFFFAOYSA-N 1 0 251.286 1.324 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000618920842 348587056 /nfs/dbraw/zinc/58/70/56/348587056.db2.gz AASKESWTCISZEP-UHFFFAOYSA-N 1 0 289.335 1.681 20 5 CDBDRO CC(C)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000046228877 348787622 /nfs/dbraw/zinc/78/76/22/348787622.db2.gz GKZBUFFDHCACNL-UHFFFAOYSA-N 1 0 264.329 1.768 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)C2CC2)c1 ZINC000066923791 349005681 /nfs/dbraw/zinc/00/56/81/349005681.db2.gz HOMOTSPXJAVMNP-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO CNC(=O)[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000104668898 186011685 /nfs/dbraw/zinc/01/16/85/186011685.db2.gz WHLMNSZMXFYOSX-AWEZNQCLSA-N 1 0 291.351 1.738 20 5 CDBDRO [NH3+][C@H]1CC[C@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000091543271 180184632 /nfs/dbraw/zinc/18/46/32/180184632.db2.gz KGUDWJGWAVVEOW-RYUDHWBXSA-N 1 0 277.324 1.381 20 5 CDBDRO CC[N@H+](C)CCNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000136300373 362966115 /nfs/dbraw/zinc/96/61/15/362966115.db2.gz XTKSRYOZDDYZNA-UHFFFAOYSA-N 1 0 281.312 1.745 20 5 CDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000110794889 186324957 /nfs/dbraw/zinc/32/49/57/186324957.db2.gz AAXHZMZNUIVHKN-SNVBAGLBSA-N 1 0 263.297 1.324 20 5 CDBDRO Nc1ccc(N2CC[C@H]([NH+]3CCCC3)C2)nc1[N+](=O)[O-] ZINC000313082302 350815326 /nfs/dbraw/zinc/81/53/26/350815326.db2.gz XACZHIZEGWUPHV-JTQLQIEISA-N 1 0 277.328 1.247 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC23CCC3)c1 ZINC000081563858 351153748 /nfs/dbraw/zinc/15/37/48/351153748.db2.gz RLDOGIXHNYQXRX-ZDUSSCGKSA-N 1 0 292.335 1.963 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000156126599 351452588 /nfs/dbraw/zinc/45/25/88/351452588.db2.gz PGLXMFMDZSSXHP-NXEZZACHSA-N 1 0 299.352 1.095 20 5 CDBDRO C[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])C[NH+](C)C ZINC000291669928 198057624 /nfs/dbraw/zinc/05/76/24/198057624.db2.gz DLMCJMIBLJIZES-VIFPVBQESA-N 1 0 280.328 1.303 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)C[NH+](C)C)n1 ZINC000291962250 198119198 /nfs/dbraw/zinc/11/91/98/198119198.db2.gz VJJGFXVNTZZTEN-SECBINFHSA-N 1 0 252.318 1.908 20 5 CDBDRO COCC(C)(C)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000292086620 198158457 /nfs/dbraw/zinc/15/84/57/198158457.db2.gz GHKWZTWBOAWYGC-CYBMUJFWSA-N 1 0 282.340 1.985 20 5 CDBDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856432 140219873 /nfs/dbraw/zinc/21/98/73/140219873.db2.gz QUSANRQXFDVLLQ-NOZJJQNGSA-N 1 0 279.340 1.893 20 5 CDBDRO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000271598249 191233997 /nfs/dbraw/zinc/23/39/97/191233997.db2.gz HHPGHKJDELBGNX-ZDUSSCGKSA-N 1 0 293.367 1.747 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000157615725 188327961 /nfs/dbraw/zinc/32/79/61/188327961.db2.gz BMCHFMNGHKHDQV-GXTWGEPZSA-N 1 0 291.351 1.771 20 5 CDBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000162997298 188596953 /nfs/dbraw/zinc/59/69/53/188596953.db2.gz QRKVQZNXEJLHTO-QKCSRTOESA-N 1 0 280.324 1.643 20 5 CDBDRO C[C@H](CS(C)(=O)=O)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000271736139 191298094 /nfs/dbraw/zinc/29/80/94/191298094.db2.gz UDWXJGKTPOGILV-SNVBAGLBSA-N 1 0 286.353 1.160 20 5 CDBDRO C[C@@H]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC001579423290 1172174343 /nfs/dbraw/zinc/17/43/43/1172174343.db2.gz ZCJBMZMVIREODS-MNOVXSKESA-N 1 0 271.361 1.408 20 5 CDBDRO Nc1c(C(=O)NCCC[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000578133629 356163757 /nfs/dbraw/zinc/16/37/57/356163757.db2.gz PKNZCTUSJFPGLF-UHFFFAOYSA-N 1 0 278.312 1.049 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH+](C)C)c1 ZINC000266014697 363463546 /nfs/dbraw/zinc/46/35/46/363463546.db2.gz IQUXAVFQEFLZBS-UHFFFAOYSA-N 1 0 279.340 1.973 20 5 CDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000121587008 366286749 /nfs/dbraw/zinc/28/67/49/366286749.db2.gz VSCVJOKHOQVWQJ-GFCCVEGCSA-N 1 0 291.351 1.975 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc([N+](=O)[O-])c1 ZINC000366459131 363497545 /nfs/dbraw/zinc/49/75/45/363497545.db2.gz FKGYCBKLPQAMRW-QWRGUYRKSA-N 1 0 281.287 1.333 20 5 CDBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)[C@@H](C)C1 ZINC000286481687 356714289 /nfs/dbraw/zinc/71/42/89/356714289.db2.gz WRYQPHKHWGQGTB-JTQLQIEISA-N 1 0 264.329 1.829 20 5 CDBDRO CC1CC[NH+](CCNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000048559929 357190602 /nfs/dbraw/zinc/19/06/02/357190602.db2.gz BHOPNCCFRILIIR-UHFFFAOYSA-N 1 0 280.332 1.111 20 5 CDBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccn1 ZINC000181784069 357381133 /nfs/dbraw/zinc/38/11/33/357381133.db2.gz ZUTJQKCNGNQUDE-JTQLQIEISA-N 1 0 261.285 1.537 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000186730214 357679295 /nfs/dbraw/zinc/67/92/95/357679295.db2.gz ZIZNFNYATSGQAB-XVKPBYJWSA-N 1 0 296.302 1.044 20 5 CDBDRO CCc1nn(C)c(N[C@H]2CC[N@H+](CCOC)C2)c1[N+](=O)[O-] ZINC000360909560 357743410 /nfs/dbraw/zinc/74/34/10/357743410.db2.gz IRWGTWVCECIHNJ-JTQLQIEISA-N 1 0 297.359 1.023 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](C)C[C@H]1C(C)C ZINC000360991656 357767077 /nfs/dbraw/zinc/76/70/77/357767077.db2.gz VCEUWTVEDZVREX-LBPRGKRZSA-N 1 0 295.387 1.896 20 5 CDBDRO O=C(N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000361112360 357807428 /nfs/dbraw/zinc/80/74/28/357807428.db2.gz UOWUWZGFBOZNFR-ZIAGYGMSSA-N 1 0 289.335 1.713 20 5 CDBDRO CC(C)Oc1nc(N[C@@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000566478163 357837478 /nfs/dbraw/zinc/83/74/78/357837478.db2.gz HOEQLXWDQKNMKV-NSHDSACASA-N 1 0 296.371 1.951 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000264665954 357913774 /nfs/dbraw/zinc/91/37/74/357913774.db2.gz KIPOPJRBCQXGJD-LVDDQXARSA-N 1 0 289.335 1.676 20 5 CDBDRO [NH3+]C[C@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000165888650 358216164 /nfs/dbraw/zinc/21/61/64/358216164.db2.gz LILPFNFBQQOYRQ-LBPRGKRZSA-N 1 0 288.307 1.307 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000567473714 358681399 /nfs/dbraw/zinc/68/13/99/358681399.db2.gz QWSNNDMJPUPDCX-HTQZYQBOSA-N 1 0 291.311 1.327 20 5 CDBDRO CCOc1ccc(C(=O)N[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000159151438 358694712 /nfs/dbraw/zinc/69/47/12/358694712.db2.gz XPOAIZRGQRWQET-LLVKDONJSA-N 1 0 293.323 1.461 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1 ZINC000567609636 358707642 /nfs/dbraw/zinc/70/76/42/358707642.db2.gz UTXUFTUMBJGZDE-OCCSQVGLSA-N 1 0 294.355 1.682 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000338074342 358738253 /nfs/dbraw/zinc/73/82/53/358738253.db2.gz ULBBWQWBKRGYFL-NSHDSACASA-N 1 0 294.355 1.395 20 5 CDBDRO CCC[NH2+][C@H](C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000296358305 199864563 /nfs/dbraw/zinc/86/45/63/199864563.db2.gz JIUIJDWXVBQCJA-SNVBAGLBSA-N 1 0 265.313 1.599 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000104221606 358952080 /nfs/dbraw/zinc/95/20/80/358952080.db2.gz HMAXEKFPCQSXQW-MRVPVSSYSA-N 1 0 271.704 1.715 20 5 CDBDRO C[C@H]1C[C@H](C)C[NH+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176189525 188982787 /nfs/dbraw/zinc/98/27/87/188982787.db2.gz VOHAJFNZIZZFFS-QWRGUYRKSA-N 1 0 252.318 1.769 20 5 CDBDRO CO[C@@H]1C[C@@H](N(C)Cc2c([N+](=O)[O-])ncn2C)C12CCC2 ZINC000451862922 359087883 /nfs/dbraw/zinc/08/78/83/359087883.db2.gz YJNPBGIIRATGCP-VXGBXAGGSA-N 1 0 294.355 1.718 20 5 CDBDRO CO[C@@H]1C[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000451851867 359088138 /nfs/dbraw/zinc/08/81/38/359088138.db2.gz NDQCDUJTMGALSM-VXGBXAGGSA-N 1 0 294.355 1.681 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](COC(F)F)C2)c1 ZINC000353009832 359056201 /nfs/dbraw/zinc/05/62/01/359056201.db2.gz ROWVAGDDCJWBLS-SECBINFHSA-N 1 0 290.270 1.352 20 5 CDBDRO CNc1ccc(C(=O)NCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000054132468 359426424 /nfs/dbraw/zinc/42/64/24/359426424.db2.gz UGOFOYAWLXHXGM-UHFFFAOYSA-N 1 0 294.355 1.707 20 5 CDBDRO CC(C)(CO)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000339722996 359428604 /nfs/dbraw/zinc/42/86/04/359428604.db2.gz ATEGXBJQKQEGQP-LBPRGKRZSA-N 1 0 282.344 1.178 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000050245624 359407253 /nfs/dbraw/zinc/40/72/53/359407253.db2.gz AJBHVJHRZMYDAE-JTQLQIEISA-N 1 0 263.297 1.324 20 5 CDBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000289557467 359619201 /nfs/dbraw/zinc/61/92/01/359619201.db2.gz KUHNRKLEAUUJCF-OLZOCXBDSA-N 1 0 277.324 1.599 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH3+])[C@H]1C ZINC000297408096 200180008 /nfs/dbraw/zinc/18/00/08/200180008.db2.gz QCYMMDAUYCKGTN-ZWNOBZJWSA-N 1 0 277.324 1.855 20 5 CDBDRO CC(C)O[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000572153067 359926406 /nfs/dbraw/zinc/92/64/06/359926406.db2.gz ADAHTUABGORJBD-CYBMUJFWSA-N 1 0 295.339 1.256 20 5 CDBDRO CCNC(=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135721421 359950956 /nfs/dbraw/zinc/95/09/56/359950956.db2.gz NUKKNZCOPUWNHZ-SNVBAGLBSA-N 1 0 265.313 1.772 20 5 CDBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)CO ZINC000298053843 200324876 /nfs/dbraw/zinc/32/48/76/200324876.db2.gz FPGJLUTVXXVPNO-LLVKDONJSA-N 1 0 295.339 1.626 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)CC[NH2+]1 ZINC000235445804 360120914 /nfs/dbraw/zinc/12/09/14/360120914.db2.gz VSDZOPGJDFAXRV-HTQZYQBOSA-N 1 0 253.258 1.058 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1=CC[NH2+]CC1 ZINC000169254736 360154077 /nfs/dbraw/zinc/15/40/77/360154077.db2.gz RKCDQHVNTVFPLS-UHFFFAOYSA-N 1 0 275.308 1.553 20 5 CDBDRO COCCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606390 360157390 /nfs/dbraw/zinc/15/73/90/360157390.db2.gz IVLOETVYBMYSTP-UHFFFAOYSA-N 1 0 250.298 1.989 20 5 CDBDRO O=C(NCC1=CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000169280498 360193187 /nfs/dbraw/zinc/19/31/87/360193187.db2.gz RMHOBCLLFQZSSK-UHFFFAOYSA-N 1 0 261.281 1.244 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCOCC2)c1 ZINC000363379844 360210282 /nfs/dbraw/zinc/21/02/82/360210282.db2.gz YEPKELMFTVEHNP-CYBMUJFWSA-N 1 0 296.323 1.057 20 5 CDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccncc1 ZINC000348069699 360343133 /nfs/dbraw/zinc/34/31/33/360343133.db2.gz HWXPYIVBXMKABN-UHFFFAOYSA-N 1 0 275.312 1.708 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1([NH3+])CCC1 ZINC000147902497 360497949 /nfs/dbraw/zinc/49/79/49/360497949.db2.gz RLGODGFRJHJUBA-UHFFFAOYSA-N 1 0 263.297 1.435 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000147942929 360721068 /nfs/dbraw/zinc/72/10/68/360721068.db2.gz XMWMIUUSYSJEKK-VIFPVBQESA-N 1 0 267.260 1.168 20 5 CDBDRO CC(C)[N@H+](CCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178564438 189126975 /nfs/dbraw/zinc/12/69/75/189126975.db2.gz ANICHBLQXLLKON-CYBMUJFWSA-N 1 0 268.313 1.331 20 5 CDBDRO CC(C)(C)[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000178869218 189151410 /nfs/dbraw/zinc/15/14/10/189151410.db2.gz GARGQAGSIITDBI-NWDGAFQWSA-N 1 0 295.339 1.118 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000179003114 189161281 /nfs/dbraw/zinc/16/12/81/189161281.db2.gz BOHWVLZEYIDDOU-NSHDSACASA-N 1 0 292.339 1.075 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)C[C@@H]21 ZINC000408463939 361171887 /nfs/dbraw/zinc/17/18/87/361171887.db2.gz HAHNCROXGWCNGY-BDAKNGLRSA-N 1 0 281.337 1.432 20 5 CDBDRO CCn1c(CC[NH3+])nnc1Sc1ccc([N+](=O)[O-])cn1 ZINC000301475969 201021251 /nfs/dbraw/zinc/02/12/51/201021251.db2.gz AXNVRKJCMFQDPN-UHFFFAOYSA-N 1 0 294.340 1.254 20 5 CDBDRO Cc1nn(C)c(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000301513718 201040324 /nfs/dbraw/zinc/04/03/24/201040324.db2.gz FUGVOANMEZFWLJ-MNOVXSKESA-N 1 0 281.360 1.921 20 5 CDBDRO CNC(=O)c1ccc(SCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000301612432 201093939 /nfs/dbraw/zinc/09/39/39/201093939.db2.gz SIJDPGZODJVONZ-UHFFFAOYSA-N 1 0 283.353 1.608 20 5 CDBDRO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000036301099 361485069 /nfs/dbraw/zinc/48/50/69/361485069.db2.gz IVTOKCMLJZJBFI-UHFFFAOYSA-N 1 0 292.339 1.217 20 5 CDBDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000168136027 363834315 /nfs/dbraw/zinc/83/43/15/363834315.db2.gz BZRZDKWNTAPCMI-ZETCQYMHSA-N 1 0 271.704 1.602 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])nc2)C[C@@H]1C ZINC000580339855 363902285 /nfs/dbraw/zinc/90/22/85/363902285.db2.gz JHEJEOXKIWTYCD-QWRGUYRKSA-N 1 0 264.329 1.909 20 5 CDBDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000168164844 363968140 /nfs/dbraw/zinc/96/81/40/363968140.db2.gz RXROQIZOFQKTBH-HUTHGQBESA-N 1 0 256.327 1.451 20 5 CDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000268178027 364393548 /nfs/dbraw/zinc/39/35/48/364393548.db2.gz SAYZXCVHJIPVTD-CABZTGNLSA-N 1 0 262.313 1.884 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000268273657 364605974 /nfs/dbraw/zinc/60/59/74/364605974.db2.gz VTERAJLSAKTZAN-PSASIEDQSA-N 1 0 279.296 1.400 20 5 CDBDRO CC[C@@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000105790733 364780543 /nfs/dbraw/zinc/78/05/43/364780543.db2.gz BJDZNDDFDMBTQX-VXGBXAGGSA-N 1 0 294.355 1.271 20 5 CDBDRO Cc1ccc(NC(=O)NC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000414659999 241307368 /nfs/dbraw/zinc/30/73/68/241307368.db2.gz NTNCZURWYWNFOM-NSHDSACASA-N 1 0 278.312 1.777 20 5 CDBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000094340640 367349569 /nfs/dbraw/zinc/34/95/69/367349569.db2.gz FRUCEGZOGLQZCA-BXKDBHETSA-N 1 0 278.312 1.796 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000348636915 367598343 /nfs/dbraw/zinc/59/83/43/367598343.db2.gz SBNJVKNERPLBRY-ALLMMHQKSA-N 1 0 292.335 1.690 20 5 CDBDRO COc1ccc(CNC(=O)NCC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000417187768 242350725 /nfs/dbraw/zinc/35/07/25/242350725.db2.gz GYLDLWUUEOZFFQ-VIFPVBQESA-N 1 0 296.327 1.140 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269150289 283977088 /nfs/dbraw/zinc/97/70/88/283977088.db2.gz NDOMNDNNTVQCHQ-JTQLQIEISA-N 1 0 289.291 1.823 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417232471 242370294 /nfs/dbraw/zinc/37/02/94/242370294.db2.gz MISOXEQBEDJOOG-LBPRGKRZSA-N 1 0 292.339 1.128 20 5 CDBDRO C[C@H](NC(=O)N1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000417124849 242327279 /nfs/dbraw/zinc/32/72/79/242327279.db2.gz AFMWVHJEKICTPH-NSHDSACASA-N 1 0 292.339 1.661 20 5 CDBDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000272492331 367742980 /nfs/dbraw/zinc/74/29/80/367742980.db2.gz CIMOWLKHOZVOJD-ZJUUUORDSA-N 1 0 291.307 1.939 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272621592 367781829 /nfs/dbraw/zinc/78/18/29/367781829.db2.gz LWHQMCPXDTZIRH-SECBINFHSA-N 1 0 299.758 1.905 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])o1)C1(C[NH3+])CCC1 ZINC000385149330 368417168 /nfs/dbraw/zinc/41/71/68/368417168.db2.gz IQQMYPWFBRXJCY-UHFFFAOYSA-N 1 0 253.258 1.141 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000089091127 368827756 /nfs/dbraw/zinc/82/77/56/368827756.db2.gz NIFNDNPRPMJBNQ-VXGBXAGGSA-N 1 0 277.324 1.381 20 5 CDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1ncc([N+](=O)[O-])cn1 ZINC000420288296 244031038 /nfs/dbraw/zinc/03/10/38/244031038.db2.gz RYZQSAVSZUCOGB-REMFIFCHSA-N 1 0 263.301 1.313 20 5 CDBDRO C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000420394354 244195308 /nfs/dbraw/zinc/19/53/08/244195308.db2.gz KHDJFMUHORRPLH-RYUDHWBXSA-N 1 0 279.340 1.656 20 5 CDBDRO C[C@H]1C[C@H](CO)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000420952504 244492259 /nfs/dbraw/zinc/49/22/59/244492259.db2.gz XZJKGGLJQJYRMJ-STQMWFEESA-N 1 0 294.351 1.924 20 5 CDBDRO CCCN(CCC[NH+](C)C)c1ncc([N+](=O)[O-])c(N)n1 ZINC000276253215 193257895 /nfs/dbraw/zinc/25/78/95/193257895.db2.gz SNJRIYNXRWDYNC-UHFFFAOYSA-N 1 0 282.348 1.135 20 5 CDBDRO [NH3+]CC1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC001580265618 1172390154 /nfs/dbraw/zinc/39/01/54/1172390154.db2.gz NKDDGPSVEJGSPJ-UHFFFAOYSA-N 1 0 283.303 1.401 20 5 CDBDRO CN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000295198942 369620753 /nfs/dbraw/zinc/62/07/53/369620753.db2.gz JXUPQKTUBPYXAR-UHFFFAOYSA-N 1 0 267.260 1.296 20 5 CDBDRO C[NH+]1CCN(CCNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000037760117 370077785 /nfs/dbraw/zinc/07/77/85/370077785.db2.gz ZAJPIPCSPRTLOZ-UHFFFAOYSA-N 1 0 282.319 1.393 20 5 CDBDRO COc1cc(C(=O)N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000295475754 370364544 /nfs/dbraw/zinc/36/45/44/370364544.db2.gz MELWZRCLURVRIV-QMMMGPOBSA-N 1 0 299.302 1.422 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000168681524 370432512 /nfs/dbraw/zinc/43/25/12/370432512.db2.gz SXUOZORLFNOUHA-QMMMGPOBSA-N 1 0 285.731 1.928 20 5 CDBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000269635447 373249422 /nfs/dbraw/zinc/24/94/22/373249422.db2.gz HEZTZOVDPBCNQO-LBPRGKRZSA-N 1 0 268.313 1.331 20 5 CDBDRO C[NH2+]C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000347074557 373290293 /nfs/dbraw/zinc/29/02/93/373290293.db2.gz SYFPWQUUHUZKFI-GFCCVEGCSA-N 1 0 263.341 1.945 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000169002307 373856787 /nfs/dbraw/zinc/85/67/87/373856787.db2.gz XNZCZAJMPWLVCR-ZETCQYMHSA-N 1 0 265.273 1.493 20 5 CDBDRO [NH3+]CCCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423726930 246007033 /nfs/dbraw/zinc/00/70/33/246007033.db2.gz QHFSTMSGMXOEDG-UHFFFAOYSA-N 1 0 277.324 1.825 20 5 CDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000298788723 374185191 /nfs/dbraw/zinc/18/51/91/374185191.db2.gz OWHFQOYXQSBDNL-MRVPVSSYSA-N 1 0 269.276 1.414 20 5 CDBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000161584013 374276562 /nfs/dbraw/zinc/27/65/62/374276562.db2.gz NZBNIQPXNSKFOU-NSHDSACASA-N 1 0 295.339 1.896 20 5 CDBDRO C[C@H]1C[C@@H](CO)C[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000420943747 374307199 /nfs/dbraw/zinc/30/71/99/374307199.db2.gz QEPHQHMBOBXDCL-QWHCGFSZSA-N 1 0 294.351 1.924 20 5 CDBDRO [NH3+]CC1(CC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000422964883 374363627 /nfs/dbraw/zinc/36/36/27/374363627.db2.gz MYQJEVQHMMVFHG-UHFFFAOYSA-N 1 0 263.297 1.340 20 5 CDBDRO COc1ccc(CN[C@H](C)[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422949288 374364048 /nfs/dbraw/zinc/36/40/48/374364048.db2.gz UUNQORMQDXQFGP-ZYHUDNBSSA-N 1 0 279.340 1.834 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NCC[NH+]1CCC(O)CC1 ZINC000296155917 374400222 /nfs/dbraw/zinc/40/02/22/374400222.db2.gz YJQINMGDPIAAEO-UHFFFAOYSA-N 1 0 280.328 1.167 20 5 CDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000370173110 374381112 /nfs/dbraw/zinc/38/11/12/374381112.db2.gz MNIAZJGHBJGMPP-JOYOIKCWSA-N 1 0 293.298 1.558 20 5 CDBDRO Cc1c(CC(=O)N[C@@H](C[NH3+])C(C)(C)C)cccc1[N+](=O)[O-] ZINC000423946200 246243991 /nfs/dbraw/zinc/24/39/91/246243991.db2.gz BZHXLQHYSHBWBK-ZDUSSCGKSA-N 1 0 293.367 1.935 20 5 CDBDRO C[C@H](CO)[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCCC1 ZINC000347217555 374539480 /nfs/dbraw/zinc/53/94/80/374539480.db2.gz HASPKELPEDPKRJ-LLVKDONJSA-N 1 0 282.344 1.417 20 5 CDBDRO COCC[NH+]1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000299245809 374592903 /nfs/dbraw/zinc/59/29/03/374592903.db2.gz OWMVFQCDSDNZHD-UHFFFAOYSA-N 1 0 280.328 1.513 20 5 CDBDRO C[N@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000299258921 374652541 /nfs/dbraw/zinc/65/25/41/374652541.db2.gz AZKAKXJWRZGVIM-UHFFFAOYSA-N 1 0 278.312 1.811 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000070446733 374662021 /nfs/dbraw/zinc/66/20/21/374662021.db2.gz GOFGMMZRCJKGHH-GFCCVEGCSA-N 1 0 265.313 1.237 20 5 CDBDRO COC(=O)c1cnc(N[C@H](C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000276654261 374740035 /nfs/dbraw/zinc/74/00/35/374740035.db2.gz ZJDUCWNXACGLBO-SECBINFHSA-N 1 0 296.327 1.529 20 5 CDBDRO CCc1n[nH]c(C(=O)N2CCC[C@@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC000277931775 374822916 /nfs/dbraw/zinc/82/29/16/374822916.db2.gz JMULNEKRWYDRGR-SECBINFHSA-N 1 0 295.343 1.047 20 5 CDBDRO CC[N@@H+]1CC[C@@H](N(C)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000330965004 374876867 /nfs/dbraw/zinc/87/68/67/374876867.db2.gz AIGOWOWGQUPREY-QWHCGFSZSA-N 1 0 295.387 1.596 20 5 CDBDRO O=C(NCC[N@H+]1CC=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000279948562 374975673 /nfs/dbraw/zinc/97/56/73/374975673.db2.gz IDZJUAZTBFHALG-UHFFFAOYSA-N 1 0 275.308 1.587 20 5 CDBDRO C[NH+](C)C[C@H](O)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332658212 375040296 /nfs/dbraw/zinc/04/02/96/375040296.db2.gz ANYMILRONJOGMK-UKRRQHHQSA-N 1 0 293.367 1.484 20 5 CDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnc[nH]1 ZINC000282492468 375089140 /nfs/dbraw/zinc/08/91/40/375089140.db2.gz PZNYXTHFBWHGEF-UHFFFAOYSA-N 1 0 260.297 1.992 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCCF ZINC000282654638 375098975 /nfs/dbraw/zinc/09/89/75/375098975.db2.gz IFOFLHZOLVAIKI-VHSXEESVSA-N 1 0 283.303 1.720 20 5 CDBDRO CC(C)(C)OC1CC([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000352847444 375545726 /nfs/dbraw/zinc/54/57/26/375545726.db2.gz CONFBIVYAAIAHB-UHFFFAOYSA-N 1 0 282.344 1.727 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCO ZINC000344826256 375545954 /nfs/dbraw/zinc/54/59/54/375545954.db2.gz BGMOVVBQLFYWKP-FLIBITNWSA-N 1 0 250.298 1.970 20 5 CDBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000058234898 375698713 /nfs/dbraw/zinc/69/87/13/375698713.db2.gz QQTYRRBXIZOLEE-ZDUSSCGKSA-N 1 0 277.324 1.809 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)CC(F)F)c(F)c1 ZINC000428648820 247341013 /nfs/dbraw/zinc/34/10/13/247341013.db2.gz RINPQWBQLUCDGQ-MRVPVSSYSA-N 1 0 278.230 1.840 20 5 CDBDRO COc1c(C(=O)N(C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000356291806 375831627 /nfs/dbraw/zinc/83/16/27/375831627.db2.gz XWXKQGGFLYUNBB-UHFFFAOYSA-N 1 0 281.312 1.237 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000229641509 375933957 /nfs/dbraw/zinc/93/39/57/375933957.db2.gz UNDDYWHGDSBYLD-ZDUSSCGKSA-N 1 0 266.297 1.144 20 5 CDBDRO [NH3+][C@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430671058 247683940 /nfs/dbraw/zinc/68/39/40/247683940.db2.gz XBCVKNXSIGIHED-JTQLQIEISA-N 1 0 289.295 1.178 20 5 CDBDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000433186978 248005267 /nfs/dbraw/zinc/00/52/67/248005267.db2.gz MGNFWRGLEGWFIR-NTMLRVMTSA-N 1 0 292.335 1.738 20 5 CDBDRO Cc1cc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000435239384 248160416 /nfs/dbraw/zinc/16/04/16/248160416.db2.gz VVWUMWYKFBQVOG-CYBMUJFWSA-N 1 0 289.335 1.870 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@]1(O)CCOC1 ZINC000269954209 377825005 /nfs/dbraw/zinc/82/50/05/377825005.db2.gz HRQKPZAIOYPALK-LYKUJDHUSA-N 1 0 278.308 1.349 20 5 CDBDRO C[NH2+]CCCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676277 378523894 /nfs/dbraw/zinc/52/38/94/378523894.db2.gz PCJZPYHFARFBDN-UHFFFAOYSA-N 1 0 265.313 1.253 20 5 CDBDRO CCC1(O)CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000266965156 378936012 /nfs/dbraw/zinc/93/60/12/378936012.db2.gz ZEHAYNJQVQYKPE-UHFFFAOYSA-N 1 0 268.317 1.028 20 5 CDBDRO CC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)COC1 ZINC000447536829 250383170 /nfs/dbraw/zinc/38/31/70/250383170.db2.gz QHVRAGQJHXCPPL-VXGBXAGGSA-N 1 0 294.355 1.901 20 5 CDBDRO C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000245869904 379347472 /nfs/dbraw/zinc/34/74/72/379347472.db2.gz GRMTUJYXYSUKPY-WDEREUQCSA-N 1 0 252.318 1.769 20 5 CDBDRO CCCC[N@H+](CC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174651276 379547556 /nfs/dbraw/zinc/54/75/56/379547556.db2.gz NASXKYHRTRWLJP-LBPRGKRZSA-N 1 0 270.333 1.274 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CCC[N@H+]1CCCO ZINC000450598789 251359780 /nfs/dbraw/zinc/35/97/80/251359780.db2.gz RFHFRRBXAHDHPR-LBPRGKRZSA-N 1 0 297.330 1.993 20 5 CDBDRO C[C@@H]1C[N@H+](C)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000491574832 253092074 /nfs/dbraw/zinc/09/20/74/253092074.db2.gz FVQKLXITIWQMJN-FZKGZDJFSA-N 1 0 289.335 1.771 20 5 CDBDRO C[NH+](C)C/C=C\C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000491645870 253094569 /nfs/dbraw/zinc/09/45/69/253094569.db2.gz SHTPGBLRLZGDCJ-ARJAWSKDSA-N 1 0 263.297 1.329 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493773308 253551786 /nfs/dbraw/zinc/55/17/86/253551786.db2.gz AOIZNAGKYOGXJQ-AZVKUDOFSA-N 1 0 281.287 1.458 20 5 CDBDRO Cc1c(CC(=O)N[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000287265229 196818234 /nfs/dbraw/zinc/81/82/34/196818234.db2.gz SCXXGYHILTVYHS-JTQLQIEISA-N 1 0 279.340 1.512 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+]2C)c1 ZINC000359278170 390210199 /nfs/dbraw/zinc/21/01/99/390210199.db2.gz AVAOYFIASAHSHU-LLVKDONJSA-N 1 0 277.324 1.727 20 5 CDBDRO Cc1ccc(C(=O)N2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000019275684 390471773 /nfs/dbraw/zinc/47/17/73/390471773.db2.gz HTMCQIARBYTBMI-UHFFFAOYSA-N 1 0 263.297 1.339 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000261613866 390476751 /nfs/dbraw/zinc/47/67/51/390476751.db2.gz FJRCVJDKHVQXRZ-VYUIOLGVSA-N 1 0 295.314 1.850 20 5 CDBDRO CO[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000451501940 390628123 /nfs/dbraw/zinc/62/81/23/390628123.db2.gz OZUBRFCGLXWLAZ-NWDGAFQWSA-N 1 0 295.339 1.160 20 5 CDBDRO CC[N@@H+]1CCCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000287261269 390871102 /nfs/dbraw/zinc/87/11/02/390871102.db2.gz KCPIYNYJFMYBED-UHFFFAOYSA-N 1 0 264.329 1.709 20 5 CDBDRO CC(C)[C@@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000089307342 390875203 /nfs/dbraw/zinc/87/52/03/390875203.db2.gz RAKDEUHNGPYTIW-AWEZNQCLSA-N 1 0 293.367 1.840 20 5 CDBDRO [NH3+]C[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430919318 390942384 /nfs/dbraw/zinc/94/23/84/390942384.db2.gz KLSOEMDLNAEKGF-SECBINFHSA-N 1 0 276.296 1.517 20 5 CDBDRO CCc1nn(C)c(N2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000179572128 390958841 /nfs/dbraw/zinc/95/88/41/390958841.db2.gz DENPHVLEUJTSLQ-UHFFFAOYSA-N 1 0 293.371 1.423 20 5 CDBDRO CNc1ccc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000516147113 390964831 /nfs/dbraw/zinc/96/48/31/390964831.db2.gz GBQRUVBDENHYOW-ONGXEEELSA-N 1 0 292.339 1.494 20 5 CDBDRO C[C@@H]1C[C@H](O)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411425725 390966555 /nfs/dbraw/zinc/96/65/55/390966555.db2.gz ORMKZBCUPXJJHK-MFKMUULPSA-N 1 0 293.323 1.379 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183568751 391260710 /nfs/dbraw/zinc/26/07/10/391260710.db2.gz MTXMQVKEWHBDOK-UHFFFAOYSA-N 1 0 281.316 1.452 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415068793 391253890 /nfs/dbraw/zinc/25/38/90/391253890.db2.gz WMKRCZVEHOCRDN-MIQSYHDOSA-N 1 0 259.309 1.415 20 5 CDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[NH3+] ZINC000237477852 391290034 /nfs/dbraw/zinc/29/00/34/391290034.db2.gz QTENBKDIKVAIGU-SSDOTTSWSA-N 1 0 287.703 1.090 20 5 CDBDRO Nc1c(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC000449723992 391302719 /nfs/dbraw/zinc/30/27/19/391302719.db2.gz XZXXZVDADFCBIS-APPZFPTMSA-N 1 0 296.302 1.173 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415630885 391470363 /nfs/dbraw/zinc/47/03/63/391470363.db2.gz LXNGPCJJIDNFSD-MRVPVSSYSA-N 1 0 268.248 1.299 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000415763579 391471530 /nfs/dbraw/zinc/47/15/30/391471530.db2.gz OEYQRRKPZPSVIX-SNVBAGLBSA-N 1 0 278.312 1.722 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089091151 391692919 /nfs/dbraw/zinc/69/29/19/391692919.db2.gz ASZOXOMMKIZYAT-ZWNOBZJWSA-N 1 0 277.324 1.760 20 5 CDBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1(CO)CCOCC1 ZINC000190977097 130168183 /nfs/dbraw/zinc/16/81/83/130168183.db2.gz WEJQDEBQDCNNBZ-UHFFFAOYSA-N 1 0 280.324 1.568 20 5 CDBDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000487558166 391824550 /nfs/dbraw/zinc/82/45/50/391824550.db2.gz IXBYVIGSBDWOHR-UFBFGSQYSA-N 1 0 281.287 1.870 20 5 CDBDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000487558164 391825074 /nfs/dbraw/zinc/82/50/74/391825074.db2.gz IXBYVIGSBDWOHR-QPUJVOFHSA-N 1 0 281.287 1.870 20 5 CDBDRO CCC[C@@H](C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438842879 391934749 /nfs/dbraw/zinc/93/47/49/391934749.db2.gz PWTYTXWALSRRLX-PWSUYJOCSA-N 1 0 270.333 1.273 20 5 CDBDRO CCN(CCC[NH+](C)C)c1ncc([N+](=O)[O-])s1 ZINC000192546585 130466906 /nfs/dbraw/zinc/46/69/06/130466906.db2.gz BDSXQXFBBJNPBD-UHFFFAOYSA-N 1 0 258.347 1.829 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000356735081 391897617 /nfs/dbraw/zinc/89/76/17/391897617.db2.gz DKCHNDXNPACQTM-LBPRGKRZSA-N 1 0 293.367 1.982 20 5 CDBDRO CO[C@H]1C[NH+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000487987898 391930742 /nfs/dbraw/zinc/93/07/42/391930742.db2.gz LZPJYACIVMFSSQ-KBPBESRZSA-N 1 0 280.324 1.483 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000193606245 130636788 /nfs/dbraw/zinc/63/67/88/130636788.db2.gz MPFGDLVHGXEKHZ-BXKDBHETSA-N 1 0 293.323 1.474 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000592213560 392095628 /nfs/dbraw/zinc/09/56/28/392095628.db2.gz UQEOWAHTAGLOSR-UWVGGRQHSA-N 1 0 280.328 1.520 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235676217 130952467 /nfs/dbraw/zinc/95/24/67/130952467.db2.gz WNNOINZGIRVKKO-XTYWZOAOSA-N 1 0 289.335 1.865 20 5 CDBDRO [NH3+]CCCCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000262251782 131205275 /nfs/dbraw/zinc/20/52/75/131205275.db2.gz QRCFDGLTMBZJQN-UHFFFAOYSA-N 1 0 281.312 1.219 20 5 CDBDRO Nc1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000262604218 131239869 /nfs/dbraw/zinc/23/98/69/131239869.db2.gz ARASBPXHWNPLKY-ONGXEEELSA-N 1 0 278.312 1.034 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000262839350 131266794 /nfs/dbraw/zinc/26/67/94/131266794.db2.gz ITCJHZOGJIMQBB-ZJUUUORDSA-N 1 0 293.323 1.474 20 5 CDBDRO CC[NH+](CC)CCCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000263955768 131368346 /nfs/dbraw/zinc/36/83/46/131368346.db2.gz LSBIMVAMNJFZKB-UHFFFAOYSA-N 1 0 268.321 1.111 20 5 CDBDRO C[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000459395428 392431135 /nfs/dbraw/zinc/43/11/35/392431135.db2.gz PJIBOZVGJPRRDM-ZYHUDNBSSA-N 1 0 277.324 1.772 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000459824869 392510796 /nfs/dbraw/zinc/51/07/96/392510796.db2.gz KIYJYLPSNXNCJW-LEWSCRJBSA-N 1 0 280.324 1.968 20 5 CDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000266282267 131711741 /nfs/dbraw/zinc/71/17/41/131711741.db2.gz AJFIZGCWZOUXOO-NSHDSACASA-N 1 0 294.355 1.727 20 5 CDBDRO C[C@H](NC(=O)NC(C)(C)C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000418227255 392878990 /nfs/dbraw/zinc/87/89/90/392878990.db2.gz CFUDYZRIZBWAQW-VIFPVBQESA-N 1 0 280.328 1.692 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000421403808 392934993 /nfs/dbraw/zinc/93/49/93/392934993.db2.gz XYRONJHNXZQFKL-NSHDSACASA-N 1 0 288.311 1.076 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(C)C[C@@H]1C ZINC000421767836 392944274 /nfs/dbraw/zinc/94/42/74/392944274.db2.gz MFYDCUBFPGFJBZ-LBPRGKRZSA-N 1 0 291.351 1.988 20 5 CDBDRO COCC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000425273527 393014172 /nfs/dbraw/zinc/01/41/72/393014172.db2.gz OZUCJSWKLNBSAJ-UHFFFAOYSA-N 1 0 294.355 1.537 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000430206819 393093234 /nfs/dbraw/zinc/09/32/34/393093234.db2.gz PNYUQRSIYJSNSP-BXKDBHETSA-N 1 0 266.297 1.416 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)[C@H](O)C1 ZINC000430213207 393093530 /nfs/dbraw/zinc/09/35/30/393093530.db2.gz SAWZWQVWGBBDAS-GXFFZTMASA-N 1 0 280.324 1.806 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]([NH3+])C1 ZINC000430618643 393102573 /nfs/dbraw/zinc/10/25/73/393102573.db2.gz VYCLTZDXVCAOCC-LLVKDONJSA-N 1 0 292.339 1.265 20 5 CDBDRO Cc1ccc(N2CC[NH+](C[C@@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000275862256 393115000 /nfs/dbraw/zinc/11/50/00/393115000.db2.gz UIOSRCBXJSTPTR-GFCCVEGCSA-N 1 0 279.340 1.406 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493638403 393215609 /nfs/dbraw/zinc/21/56/09/393215609.db2.gz AGQGFUWKUMESNX-PHQWJBLFSA-N 1 0 293.298 1.695 20 5 CDBDRO CCOc1ccc(C(=O)NCC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000178653875 140007031 /nfs/dbraw/zinc/00/70/31/140007031.db2.gz ONEWAURROWHYPX-VIFPVBQESA-N 1 0 281.312 1.461 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000185106063 140036283 /nfs/dbraw/zinc/03/62/83/140036283.db2.gz DTZKHGHKNUCWKY-YNEHKIRRSA-N 1 0 289.335 1.713 20 5 CDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)C[C@H]2C1 ZINC000192468501 140141299 /nfs/dbraw/zinc/14/12/99/140141299.db2.gz OENLWLNMDNBCGA-DTORHVGOSA-N 1 0 281.337 1.290 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CCC[NH2+]CC1 ZINC000231481461 140216659 /nfs/dbraw/zinc/21/66/59/140216659.db2.gz SFDIXTUAAIZQBI-JTQLQIEISA-N 1 0 280.328 1.147 20 5 CDBDRO Cc1c(CNC(=O)[C@@H](C)[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000231855904 140219463 /nfs/dbraw/zinc/21/94/63/140219463.db2.gz HHUKOJCIINWZPS-WCBMZHEXSA-N 1 0 265.313 1.503 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000231856046 140219501 /nfs/dbraw/zinc/21/95/01/140219501.db2.gz SUSKRRUXCDWNDK-LBPRGKRZSA-N 1 0 277.324 1.662 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCC[NH2+]C1 ZINC000261576844 140354269 /nfs/dbraw/zinc/35/42/69/140354269.db2.gz CHSXNNQUHPGUOE-JTQLQIEISA-N 1 0 267.333 1.531 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261589118 140357632 /nfs/dbraw/zinc/35/76/32/140357632.db2.gz KLGVTVNSVCPSST-UWVGGRQHSA-N 1 0 267.304 1.903 20 5 CDBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)[NH2+]1 ZINC000261616321 140365199 /nfs/dbraw/zinc/36/51/99/140365199.db2.gz UBYZKNGYBGBSGL-AOOOYVTPSA-N 1 0 267.304 1.916 20 5 CDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000261674648 140373539 /nfs/dbraw/zinc/37/35/39/140373539.db2.gz GGGVSLASLBEWIG-GXSJLCMTSA-N 1 0 299.352 1.013 20 5 CDBDRO Cc1c(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000261773599 140387796 /nfs/dbraw/zinc/38/77/96/140387796.db2.gz WERPXYBEBYBGRX-AAEUAGOBSA-N 1 0 289.335 1.727 20 5 CDBDRO C[C@]1(C[NH3+])CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000261827682 140395497 /nfs/dbraw/zinc/39/54/97/140395497.db2.gz UNDWNUYNBSEIIB-CYBMUJFWSA-N 1 0 281.287 1.545 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)c(F)c1 ZINC000261856042 140398930 /nfs/dbraw/zinc/39/89/30/140398930.db2.gz XEWOWHQEDZWCQY-BXUZGUMPSA-N 1 0 279.315 1.918 20 5 CDBDRO CC(C)[C@@H]([NH3+])C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000269014188 397666270 /nfs/dbraw/zinc/66/62/70/397666270.db2.gz BFJZHFPSSYDDIP-GFCCVEGCSA-N 1 0 280.328 1.106 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000106790850 147244180 /nfs/dbraw/zinc/24/41/80/147244180.db2.gz XWMJEPRKLROHFV-SNVBAGLBSA-N 1 0 293.323 1.935 20 5 CDBDRO CCOC[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176244486 148030096 /nfs/dbraw/zinc/03/00/96/148030096.db2.gz KULAULUMFGQBON-GFCCVEGCSA-N 1 0 282.344 1.540 20 5 CDBDRO O=C(NCC1C[NH2+]C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000262054673 149005669 /nfs/dbraw/zinc/00/56/69/149005669.db2.gz XBUHXMQQEPONJI-UHFFFAOYSA-N 1 0 269.688 1.197 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000262078196 149011324 /nfs/dbraw/zinc/01/13/24/149011324.db2.gz XKSKKDKOYBFXPU-MNOVXSKESA-N 1 0 293.323 1.169 20 5 CDBDRO Cc1cc(F)cc(C(=O)NC2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000262515664 149071126 /nfs/dbraw/zinc/07/11/26/149071126.db2.gz RPLIFANXRZRFRT-UHFFFAOYSA-N 1 0 281.287 1.524 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000311101979 149210052 /nfs/dbraw/zinc/21/00/52/149210052.db2.gz SFNQXFZIXOZQHJ-VIFPVBQESA-N 1 0 253.306 1.525 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089091049 292283309 /nfs/dbraw/zinc/28/33/09/292283309.db2.gz OQYIVTZYQXZTMA-CMPLNLGQSA-N 1 0 277.324 1.760 20 5 CDBDRO CSc1ccc(C(=O)N[C@@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000349986620 154298987 /nfs/dbraw/zinc/29/89/87/154298987.db2.gz JJRVTDCQXIYXIV-QMMMGPOBSA-N 1 0 283.353 1.784 20 5 CDBDRO CCC[N@H+](CC)CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000350015241 154308066 /nfs/dbraw/zinc/30/80/66/154308066.db2.gz DCUFIBMYXNBQQQ-UHFFFAOYSA-N 1 0 282.344 1.395 20 5 CDBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])cnc1N)C(C)C ZINC000350220598 154350881 /nfs/dbraw/zinc/35/08/81/154350881.db2.gz GNEPHHMQMZTVET-UHFFFAOYSA-N 1 0 295.343 1.032 20 5 CDBDRO CC[N@H+](C[C@H](C)O)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000352185975 155004761 /nfs/dbraw/zinc/00/47/61/155004761.db2.gz HVRHDIIYMUVTLG-QWRGUYRKSA-N 1 0 295.339 1.625 20 5 CDBDRO CC(C)C[C@@H]([NH3+])C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354073741 156255473 /nfs/dbraw/zinc/25/54/73/156255473.db2.gz QXLULQIBZFAPCH-SNVBAGLBSA-N 1 0 291.311 1.205 20 5 CDBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000362072107 159059542 /nfs/dbraw/zinc/05/95/42/159059542.db2.gz KORGDFQEMLHZOP-CMPLNLGQSA-N 1 0 280.324 1.664 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000372699969 160141478 /nfs/dbraw/zinc/14/14/78/160141478.db2.gz FOKGUYYIZOBQKL-GFCCVEGCSA-N 1 0 293.371 1.246 20 5 CDBDRO Cc1cnc(OCCN2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC000373219473 160183008 /nfs/dbraw/zinc/18/30/08/160183008.db2.gz VCHNVHGPIXFAFJ-TXEJJXNPSA-N 1 0 293.323 1.540 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCOCC2)c1 ZINC000374026938 160246430 /nfs/dbraw/zinc/24/64/30/160246430.db2.gz LAVXXACXWKIJRH-UHFFFAOYSA-N 1 0 266.297 1.696 20 5 CDBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284226013 196007442 /nfs/dbraw/zinc/00/74/42/196007442.db2.gz UULXXZYKIBCALQ-LBPRGKRZSA-N 1 0 297.311 2.000 20 5 CDBDRO CC(C)[NH+](CCNC(=O)c1cc([N+](=O)[O-])n[nH]1)C(C)C ZINC000284994231 196174077 /nfs/dbraw/zinc/17/40/77/196174077.db2.gz MTPVKOZMHVRPBQ-UHFFFAOYSA-N 1 0 283.332 1.167 20 5 CDBDRO CC[C@H](CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000035603896 172292326 /nfs/dbraw/zinc/29/23/26/172292326.db2.gz XUPUAZVRADUJFS-SNVBAGLBSA-N 1 0 254.286 1.464 20 5 CDBDRO CCC[NH+](CCC)CCCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285285177 196241104 /nfs/dbraw/zinc/24/11/04/196241104.db2.gz JTSXVGUWIZQUCM-UHFFFAOYSA-N 1 0 297.359 1.560 20 5 CDBDRO CCCN(c1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000071332828 176125893 /nfs/dbraw/zinc/12/58/93/176125893.db2.gz SHODNVZEKBRZKD-LLVKDONJSA-N 1 0 292.339 1.272 20 5 CDBDRO Cc1ccnc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000078835317 177396242 /nfs/dbraw/zinc/39/62/42/177396242.db2.gz ZELXOTZYJFOEAR-VXGBXAGGSA-N 1 0 292.339 1.573 20 5 CDBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1cccc([N+](=O)[O-])c1 ZINC000390116049 262127472 /nfs/dbraw/zinc/12/74/72/262127472.db2.gz MBXRRMBVGSHVHS-LBPRGKRZSA-N 1 0 294.311 1.095 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000320761208 265027719 /nfs/dbraw/zinc/02/77/19/265027719.db2.gz BLRLEFIRACAMML-ZXXKLBARSA-N 1 0 277.324 1.850 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000320979994 270329625 /nfs/dbraw/zinc/32/96/25/270329625.db2.gz XMBMGRCOIXWWBB-TWHAFNCTSA-N 1 0 277.324 1.850 20 5 CDBDRO CCC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000324708578 270331961 /nfs/dbraw/zinc/33/19/61/270331961.db2.gz COVZWBJYKZOCTQ-ZIAGYGMSSA-N 1 0 296.371 1.711 20 5 CDBDRO COc1cc(NC[C@H]2C[NH2+]CCN2C)c(F)cc1[N+](=O)[O-] ZINC000394819910 270339282 /nfs/dbraw/zinc/33/92/82/270339282.db2.gz PAZVLJDARIZRBX-SECBINFHSA-N 1 0 298.318 1.058 20 5 CDBDRO CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000395507894 270343313 /nfs/dbraw/zinc/34/33/13/270343313.db2.gz ODLMPXAUCHYJRM-UHFFFAOYSA-N 1 0 292.339 1.007 20 5 CDBDRO COc1cc(C[NH2+][C@H](C)C[C@@H](C)O)c([N+](=O)[O-])cc1OC ZINC000361029113 274094441 /nfs/dbraw/zinc/09/44/41/274094441.db2.gz HLVLYGDRNFZMDB-NXEZZACHSA-N 1 0 298.339 1.861 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000261581155 274308725 /nfs/dbraw/zinc/30/87/25/274308725.db2.gz FVQPUQZOYWJZFT-VHSKPIJISA-N 1 0 266.301 1.039 20 5 CDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)C[C@H](C)[N@H+]1C ZINC000292802829 274364352 /nfs/dbraw/zinc/36/43/52/274364352.db2.gz NKDVEBCYDJAUQI-DTORHVGOSA-N 1 0 291.311 1.660 20 5 CDBDRO C[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@@H]1C[NH3+] ZINC000163937605 274563237 /nfs/dbraw/zinc/56/32/37/274563237.db2.gz KKLNFGPYTMNNCM-UWVGGRQHSA-N 1 0 250.302 1.411 20 5 CDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])cn1 ZINC000286330422 274621373 /nfs/dbraw/zinc/62/13/73/274621373.db2.gz LLBMKOZQLLNHQZ-QWRGUYRKSA-N 1 0 277.328 1.448 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000262055152 274949028 /nfs/dbraw/zinc/94/90/28/274949028.db2.gz HWEAJPZFLCTWPX-UFBFGSQYSA-N 1 0 278.312 1.034 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H]1CC[NH2+]C1)CCC2 ZINC000423220400 275038112 /nfs/dbraw/zinc/03/81/12/275038112.db2.gz XSFHCROCVRIZQD-RISCZKNCSA-N 1 0 261.325 1.924 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000236052040 275041471 /nfs/dbraw/zinc/04/14/71/275041471.db2.gz RQJQCSSNWMBFEK-SSDOTTSWSA-N 1 0 256.693 1.807 20 5 CDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000359232914 276050531 /nfs/dbraw/zinc/05/05/31/276050531.db2.gz RNDPVTNBDULXSB-VIFPVBQESA-N 1 0 266.301 1.137 20 5 CDBDRO CC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412127233 276070581 /nfs/dbraw/zinc/07/05/81/276070581.db2.gz SIINHSBQVUEFOD-UONOGXRCSA-N 1 0 291.351 1.766 20 5 CDBDRO C[NH2+]CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000151251038 277024997 /nfs/dbraw/zinc/02/49/97/277024997.db2.gz OOKKQZQBDDGFFG-UHFFFAOYSA-N 1 0 257.677 1.197 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000092136605 277025672 /nfs/dbraw/zinc/02/56/72/277025672.db2.gz ZHSNISBBBZZAHL-SECBINFHSA-N 1 0 251.286 1.067 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000261573664 277041372 /nfs/dbraw/zinc/04/13/72/277041372.db2.gz MILCGRLPEXUIAE-SECBINFHSA-N 1 0 251.286 1.241 20 5 CDBDRO COCC[C@@H](CO)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000343629275 277235692 /nfs/dbraw/zinc/23/56/92/277235692.db2.gz YBLUFCBXJZUUIB-OCCSQVGLSA-N 1 0 296.367 1.903 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000147908024 277296272 /nfs/dbraw/zinc/29/62/72/277296272.db2.gz NFIZJEREZUBSFR-SNVBAGLBSA-N 1 0 263.297 1.337 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418230858 277909121 /nfs/dbraw/zinc/90/91/21/277909121.db2.gz KCOMFJKQHCSMBZ-GXFFZTMASA-N 1 0 294.355 1.938 20 5 CDBDRO Cc1c(C(=O)N2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000019402485 278585351 /nfs/dbraw/zinc/58/53/51/278585351.db2.gz QNRPNCHYKRZQHP-UHFFFAOYSA-N 1 0 263.297 1.339 20 5 CDBDRO O=C(NCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000066067469 279200372 /nfs/dbraw/zinc/20/03/72/279200372.db2.gz YCIDZLFKXKRLPJ-UHFFFAOYSA-N 1 0 267.285 1.404 20 5 CDBDRO O=[N+]([O-])c1cccc(OCCN2CCC[NH2+]CC2)c1 ZINC000067799775 279203619 /nfs/dbraw/zinc/20/36/19/279203619.db2.gz WWIKBPDZFCIKSA-UHFFFAOYSA-N 1 0 265.313 1.269 20 5 CDBDRO Cc1sc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237701768 279282662 /nfs/dbraw/zinc/28/26/62/279282662.db2.gz OEBGRTPSBMPSMB-IUCAKERBSA-N 1 0 283.353 1.822 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000237326055 280171494 /nfs/dbraw/zinc/17/14/94/280171494.db2.gz VNZVEAJTEBKDRP-SECBINFHSA-N 1 0 281.312 1.189 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H](C)C[NH3+] ZINC000430952294 280662546 /nfs/dbraw/zinc/66/25/46/280662546.db2.gz YPCQEKXJFBHLSY-JTQLQIEISA-N 1 0 280.328 1.121 20 5 CDBDRO O=[N+]([O-])c1nn(CC[C@@H]2CC[NH2+]C2)cc1Br ZINC000396651397 280699648 /nfs/dbraw/zinc/69/96/48/280699648.db2.gz OFMWRXBIOLJPSA-ZETCQYMHSA-N 1 0 289.133 1.553 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH2+]C(C)(C)C2)n1 ZINC000212771515 281012901 /nfs/dbraw/zinc/01/29/01/281012901.db2.gz UIGDPIGHTQBDIU-UHFFFAOYSA-N 1 0 250.302 1.486 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000178243328 281013988 /nfs/dbraw/zinc/01/39/88/281013988.db2.gz WPHPZZMUSUCMNY-NEPJUHHUSA-N 1 0 276.340 1.971 20 5 CDBDRO Cc1cccc(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000302514441 281228064 /nfs/dbraw/zinc/22/80/64/281228064.db2.gz UUGGOPOBIXYZHW-CHWSQXEVSA-N 1 0 293.367 1.795 20 5 CDBDRO Cc1ccnc(N2CC[C@@H]([NH3+])[C@@H](C)C2)c1[N+](=O)[O-] ZINC000227077374 281461363 /nfs/dbraw/zinc/46/13/63/281461363.db2.gz PCRGICDLYHDEME-VHSXEESVSA-N 1 0 250.302 1.472 20 5 CDBDRO COC[C@@]1(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[NH2+]C1 ZINC000314183911 289432156 /nfs/dbraw/zinc/43/21/56/289432156.db2.gz LNULUBYJWBXNCQ-CQSZACIVSA-N 1 0 293.323 1.468 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000568512250 294050030 /nfs/dbraw/zinc/05/00/30/294050030.db2.gz REDGVGKOAIIEBT-BXKDBHETSA-N 1 0 275.308 1.482 20 5 CDBDRO O=C(CC[NH2+]C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000571655336 294480068 /nfs/dbraw/zinc/48/00/68/294480068.db2.gz FKVQEBJNCBYCFP-UHFFFAOYSA-N 1 0 275.308 1.626 20 5 CDBDRO [NH3+]C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000135240218 295263882 /nfs/dbraw/zinc/26/38/82/295263882.db2.gz OEYONBLBXZGYBM-JTQLQIEISA-N 1 0 267.260 1.201 20 5 CDBDRO C[C@H](C[S@](C)=O)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294450989 298909567 /nfs/dbraw/zinc/90/95/67/298909567.db2.gz VQKGRJWQECOOFR-MGOSUKFUSA-N 1 0 285.369 1.595 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261717294 302038264 /nfs/dbraw/zinc/03/82/64/302038264.db2.gz JXUPQVHBZBXUGF-CQSZACIVSA-N 1 0 277.324 1.714 20 5 CDBDRO CO[C@H](C)[C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000577484740 317337843 /nfs/dbraw/zinc/33/78/43/317337843.db2.gz VITXOMJWAKSYOQ-WZRBSPASSA-N 1 0 298.339 1.348 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2=CCCCC2)c1 ZINC000379794605 323606750 /nfs/dbraw/zinc/60/67/50/323606750.db2.gz CDHUMEVOASSWBR-CYBMUJFWSA-N 1 0 280.328 1.242 20 5 CDBDRO CC[C@H](CCO)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578987497 324073751 /nfs/dbraw/zinc/07/37/51/324073751.db2.gz CIDKZVJRBJHLJQ-DGCLKSJQSA-N 1 0 298.339 1.085 20 5 CDBDRO COc1cccc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000579244599 324140093 /nfs/dbraw/zinc/14/00/93/324140093.db2.gz OMCHUAVLTZBYIV-BDAKNGLRSA-N 1 0 281.312 1.459 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000579814703 324287113 /nfs/dbraw/zinc/28/71/13/324287113.db2.gz HGTNUTDEQDMJSO-NSHDSACASA-N 1 0 279.344 1.154 20 5 CDBDRO CNc1ccc(C(=O)NC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000580773070 324557171 /nfs/dbraw/zinc/55/71/71/324557171.db2.gz VUSSMUPCJYBWPE-JTQLQIEISA-N 1 0 280.328 1.350 20 5 CDBDRO CC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000582916268 325071414 /nfs/dbraw/zinc/07/14/14/325071414.db2.gz WLMYHBFJZUOTLG-UHFFFAOYSA-N 1 0 282.344 1.563 20 5 CDBDRO Cc1c(CNC(=O)NCC2([NH3+])CCC2)cccc1[N+](=O)[O-] ZINC000418086264 533857265 /nfs/dbraw/zinc/85/72/65/533857265.db2.gz ZOKXKOZUSSAGCW-UHFFFAOYSA-N 1 0 292.339 1.584 20 5 CDBDRO CC(C)C[C@H]([NH3+])C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000150755038 519366763 /nfs/dbraw/zinc/36/67/63/519366763.db2.gz FPWKQFVOSSGOCS-ZDUSSCGKSA-N 1 0 294.355 1.496 20 5 CDBDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000156423238 519625616 /nfs/dbraw/zinc/62/56/16/519625616.db2.gz URRHVYOZLMGOPO-CQSZACIVSA-N 1 0 291.351 1.895 20 5 CDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000050708749 519814422 /nfs/dbraw/zinc/81/44/22/519814422.db2.gz XIEMZXLRWNKLCX-LBPRGKRZSA-N 1 0 294.355 1.493 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000156742740 521650536 /nfs/dbraw/zinc/65/05/36/521650536.db2.gz MCSIXXMXKOSJAB-UHFFFAOYSA-N 1 0 295.339 1.851 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000050770040 522642870 /nfs/dbraw/zinc/64/28/70/522642870.db2.gz UPLKMOANXBYMME-SNVBAGLBSA-N 1 0 292.339 1.318 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417934689 534685429 /nfs/dbraw/zinc/68/54/29/534685429.db2.gz FVLFLDMGDSMQAJ-LBPRGKRZSA-N 1 0 292.339 1.128 20 5 CDBDRO C[NH+](C)C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000056129572 524032977 /nfs/dbraw/zinc/03/29/77/524032977.db2.gz UWSRGOXDPWURKT-UHFFFAOYSA-N 1 0 283.303 1.804 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000053253125 525560571 /nfs/dbraw/zinc/56/05/71/525560571.db2.gz WWVCRQQJBQUIMU-JTQLQIEISA-N 1 0 263.297 1.385 20 5 CDBDRO CC1(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000189330869 535179148 /nfs/dbraw/zinc/17/91/48/535179148.db2.gz RQSWCIVQCJFQCG-UHFFFAOYSA-N 1 0 277.324 1.396 20 5 CDBDRO CC[NH+](CC)CCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420592330 535542507 /nfs/dbraw/zinc/54/25/07/535542507.db2.gz WDSTVHHJIFRXFT-UHFFFAOYSA-N 1 0 280.328 1.447 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000128954012 536372900 /nfs/dbraw/zinc/37/29/00/536372900.db2.gz KEYDSDAIMJXLMS-SNVBAGLBSA-N 1 0 264.285 1.420 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000261582523 536400694 /nfs/dbraw/zinc/40/06/94/536400694.db2.gz RHJHWFAMTORCGR-SSDOTTSWSA-N 1 0 255.249 1.072 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000422889312 536455412 /nfs/dbraw/zinc/45/54/12/536455412.db2.gz FRRIUPGXGYXUQH-ZDUSSCGKSA-N 1 0 291.351 1.656 20 5 CDBDRO COCCC[N@H+](CCO)Cc1cccc([N+](=O)[O-])c1 ZINC000189899702 536522436 /nfs/dbraw/zinc/52/24/36/536522436.db2.gz MLNOVVIXMOSTTD-UHFFFAOYSA-N 1 0 268.313 1.426 20 5 CDBDRO COc1cc(C[N@H+](C)C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000305811614 536747279 /nfs/dbraw/zinc/74/72/79/536747279.db2.gz IEJHGVFHRKUJCL-SECBINFHSA-N 1 0 254.286 1.416 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)CC(C)(C)C[NH3+])c1 ZINC000262584021 536948861 /nfs/dbraw/zinc/94/88/61/536948861.db2.gz MPBPWOQVKMQGSO-UHFFFAOYSA-N 1 0 295.339 1.660 20 5 CDBDRO COC(=O)c1ccc(OC[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000187671668 538448409 /nfs/dbraw/zinc/44/84/09/538448409.db2.gz SYKZMGWENYNGPE-JTQLQIEISA-N 1 0 294.307 1.712 20 5 CDBDRO COC[C@@](C)([NH3+])CNc1nc2ccccn2c1[N+](=O)[O-] ZINC000733895846 575144989 /nfs/dbraw/zinc/14/49/89/575144989.db2.gz NOECDXUOHOAXOY-LBPRGKRZSA-N 1 0 279.300 1.018 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](CCO)C2CC2)c1 ZINC000763046839 576703601 /nfs/dbraw/zinc/70/36/01/576703601.db2.gz CETQQAIDSYDCCH-CQSZACIVSA-N 1 0 280.324 1.724 20 5 CDBDRO CO[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750068850 576974821 /nfs/dbraw/zinc/97/48/21/576974821.db2.gz BFKQNKYDHXRYNA-CHWSQXEVSA-N 1 0 266.297 1.349 20 5 CDBDRO CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000982942946 614949613 /nfs/dbraw/zinc/94/96/13/614949613.db2.gz XBUCIZBCNWCAFH-AULYBMBSSA-N 1 0 291.351 1.989 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNc1c([N+](=O)[O-])cnn1C ZINC000892285461 617693256 /nfs/dbraw/zinc/69/32/56/617693256.db2.gz XJILMNKGWAPRKI-VIFPVBQESA-N 1 0 255.322 1.471 20 5 CDBDRO Cc1c(-c2noc(COCC[NH3+])n2)cccc1[N+](=O)[O-] ZINC000843238810 618076030 /nfs/dbraw/zinc/07/60/30/618076030.db2.gz ZYCNZXZXXAFEER-UHFFFAOYSA-N 1 0 278.268 1.429 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1ccc2nonc2c1[N+](=O)[O-] ZINC000893859503 618097387 /nfs/dbraw/zinc/09/73/87/618097387.db2.gz WCOWNHMCLYTGQA-ZETCQYMHSA-N 1 0 265.273 1.493 20 5 CDBDRO Cc1nc(N2CC[C@@H]3C[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000893941126 618205229 /nfs/dbraw/zinc/20/52/29/618205229.db2.gz QTZRHDVBXREHJX-ZYHUDNBSSA-N 1 0 262.313 1.439 20 5 CDBDRO C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000928244624 618598439 /nfs/dbraw/zinc/59/84/39/618598439.db2.gz AHOCRQPQJRQJLL-PWSUYJOCSA-N 1 0 277.324 1.724 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841103932 618683275 /nfs/dbraw/zinc/68/32/75/618683275.db2.gz SVYNGDWRTHHRAM-SSDOTTSWSA-N 1 0 286.719 1.965 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NCC[C@H](C)[NH+](C)C ZINC000894521326 618935369 /nfs/dbraw/zinc/93/53/69/618935369.db2.gz MZULZZYZUUMZKA-VIFPVBQESA-N 1 0 268.317 1.751 20 5 CDBDRO Cc1nc(N[C@H](C)[C@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000895245964 619491760 /nfs/dbraw/zinc/49/17/60/619491760.db2.gz KSAMRHORHAZNOH-DGCLKSJQSA-N 1 0 293.371 1.344 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@@H](O)C2CC2)cs1 ZINC000898205206 621362167 /nfs/dbraw/zinc/36/21/67/621362167.db2.gz BMKDBOHVMQBMNE-SNVBAGLBSA-N 1 0 256.327 1.907 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000899872074 622495460 /nfs/dbraw/zinc/49/54/60/622495460.db2.gz XGQICVWGJOHWRJ-UHFFFAOYSA-N 1 0 264.325 1.601 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000900400824 623001342 /nfs/dbraw/zinc/00/13/42/623001342.db2.gz CQRUZFAJPASSSI-ZDUSSCGKSA-N 1 0 262.313 1.712 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000905155209 626639369 /nfs/dbraw/zinc/63/93/69/626639369.db2.gz RXXMFCJRBHFDNR-LLVKDONJSA-N 1 0 269.732 1.785 20 5 CDBDRO CC[C@@H](C[NH2+]CC[N+](=O)[O-])Oc1cccc(F)c1 ZINC000905158132 626640647 /nfs/dbraw/zinc/64/06/47/626640647.db2.gz DPYNCMWJVRJGOR-NSHDSACASA-N 1 0 256.277 1.849 20 5 CDBDRO C[C@H](C[NH2+]CC[N+](=O)[O-])c1nc(-c2ccccc2)no1 ZINC000905192313 626670230 /nfs/dbraw/zinc/67/02/30/626670230.db2.gz ZAAWRNVOFFYMAR-SNVBAGLBSA-N 1 0 276.296 1.706 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1COC2(CCCCCC2)O1 ZINC000905201995 626689567 /nfs/dbraw/zinc/68/95/67/626689567.db2.gz KYFLIFIKHPUOSR-LLVKDONJSA-N 1 0 258.318 1.319 20 5 CDBDRO C[C@@H](O)[C@](C)(C[NH2+]CC[N+](=O)[O-])Cc1ccccc1 ZINC000905366032 626785099 /nfs/dbraw/zinc/78/50/99/626785099.db2.gz SCVWGDJELLLTFB-OCCSQVGLSA-N 1 0 266.341 1.483 20 5 CDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000915090423 631647876 /nfs/dbraw/zinc/64/78/76/631647876.db2.gz VESQPRRSVKCDBY-GFCCVEGCSA-N 1 0 278.312 1.098 20 5 CDBDRO CC[C@@H](CO)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000915875619 631849625 /nfs/dbraw/zinc/84/96/25/631849625.db2.gz ULHKWQMQOFALRK-UWVGGRQHSA-N 1 0 281.312 1.282 20 5 CDBDRO COc1cc(N2CCC[C@@H]([NH3+])[C@@H]2C)ncc1[N+](=O)[O-] ZINC001157741433 1162373888 /nfs/dbraw/zinc/37/38/88/1162373888.db2.gz LAAWOEHDEJRWLS-DTWKUNHWSA-N 1 0 266.301 1.314 20 5 CDBDRO COc1cc(N2CCC[C@H]([NH3+])[C@@H]2C)ncc1[N+](=O)[O-] ZINC001157741434 1162373892 /nfs/dbraw/zinc/37/38/92/1162373892.db2.gz LAAWOEHDEJRWLS-IUCAKERBSA-N 1 0 266.301 1.314 20 5 CDBDRO Cc1cnc(C[NH3+])n1-c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001158163768 1162747465 /nfs/dbraw/zinc/74/74/65/1162747465.db2.gz DCOSIFNBEBTOKP-UHFFFAOYSA-N 1 0 272.268 1.424 20 5 CDBDRO CN(CC[NH+](C)C)c1cc([N+](=O)[O-])cc(Cl)n1 ZINC000220034642 1159780666 /nfs/dbraw/zinc/78/06/66/1159780666.db2.gz YOFCTCKIBMTKBP-UHFFFAOYSA-N 1 0 258.709 1.641 20 5 CDBDRO COC1CC[NH+](CCNc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000129082687 1160856529 /nfs/dbraw/zinc/85/65/29/1160856529.db2.gz WIMOYTFSTIDAAE-UHFFFAOYSA-N 1 0 294.355 1.821 20 5 CDBDRO [NH3+]CCN(c1cccnc1)c1ccc2ncc([N+](=O)[O-])n2c1 ZINC001168836363 1161990041 /nfs/dbraw/zinc/99/00/41/1161990041.db2.gz KEHSOZPOYMNJPQ-UHFFFAOYSA-N 1 0 298.306 1.734 20 5 CDBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000791052036 1162187435 /nfs/dbraw/zinc/18/74/35/1162187435.db2.gz KGKBGNRTUGMSEK-KBPBESRZSA-N 1 0 269.389 1.850 20 5 CDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000791055304 1162187530 /nfs/dbraw/zinc/18/75/30/1162187530.db2.gz ROSZIVKLQGGKCB-LLVKDONJSA-N 1 0 260.297 1.800 20 5 CDBDRO O=[N+]([O-])c1c(N[C@H]2C[NH2+]C[C@@H]2CO)ccc2cnccc21 ZINC001170780590 1164118326 /nfs/dbraw/zinc/11/83/26/1164118326.db2.gz HJHLWEYMIRDIBC-MFKMUULPSA-N 1 0 288.307 1.135 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C)C1 ZINC000866258953 1164758313 /nfs/dbraw/zinc/75/83/13/1164758313.db2.gz DSWJVKMLBYFNCJ-GXFFZTMASA-N 1 0 281.331 1.959 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)CN(C)C ZINC000866262559 1164760992 /nfs/dbraw/zinc/76/09/92/1164760992.db2.gz BUYNROVAJDFDOS-GWCFXTLKSA-N 1 0 299.346 1.177 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872126267 1165382115 /nfs/dbraw/zinc/38/21/15/1165382115.db2.gz KDTWCVUNOWAKKE-KWBADKCTSA-N 1 0 262.309 1.943 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000872142192 1165383176 /nfs/dbraw/zinc/38/31/76/1165383176.db2.gz MBKJQXYPZBLTCX-OASPWFOLSA-N 1 0 266.297 1.395 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)CCC2 ZINC000872141234 1165383725 /nfs/dbraw/zinc/38/37/25/1165383725.db2.gz RRQOJOPCBJMNBS-RRFJBIMHSA-N 1 0 292.335 1.712 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC([NH3+])CC1 ZINC000876499963 1165856549 /nfs/dbraw/zinc/85/65/49/1165856549.db2.gz AVSYCSZUGVBYHQ-UHFFFAOYSA-N 1 0 277.324 1.775 20 5 CDBDRO O=[N+]([O-])c1cc(NC[C@@]23C[NH2+][C@@H](CO2)C3)nc2[nH]ccc21 ZINC001155543816 1167223170 /nfs/dbraw/zinc/22/31/70/1167223170.db2.gz UAASZEURQWUXJJ-AMIZOPFISA-N 1 0 289.295 1.014 20 5 CDBDRO C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CO1 ZINC001356610927 1167508436 /nfs/dbraw/zinc/50/84/36/1167508436.db2.gz XPEUXVPFUSHGBZ-GHMZBOCLSA-N 1 0 293.323 1.690 20 5 CDBDRO C[C@@H](C(=O)NCC1([NH3+])CC1)c1ccc([N+](=O)[O-])cc1F ZINC001575068370 1171102037 /nfs/dbraw/zinc/10/20/37/1171102037.db2.gz DOYPKIDDFCOMRO-MRVPVSSYSA-N 1 0 281.287 1.445 20 5 CDBDRO C[C@@]([NH3+])(C(=O)NC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC001576080149 1171326300 /nfs/dbraw/zinc/32/63/00/1171326300.db2.gz DIHRXMFODSXHLO-OCCSQVGLSA-N 1 0 293.323 1.064 20 5 CDBDRO CNc1ccc(C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC001578755250 1171997074 /nfs/dbraw/zinc/99/70/74/1171997074.db2.gz UKUUYPIUSHMVDC-WPRPVWTQSA-N 1 0 278.312 1.198 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC001579242135 1172122683 /nfs/dbraw/zinc/12/26/83/1172122683.db2.gz JZMFBRVIOXGOCJ-NWDGAFQWSA-N 1 0 293.323 1.459 20 5 CDBDRO Cc1c(CNC(=O)[C@H]2[C@@H]3C[NH2+]CC[C@@H]32)cccc1[N+](=O)[O-] ZINC001579532007 1172207149 /nfs/dbraw/zinc/20/71/49/1172207149.db2.gz GMZQYORRFKTAHL-OUCADQQQSA-N 1 0 289.335 1.375 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1OC[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC001580874954 1172556821 /nfs/dbraw/zinc/55/68/21/1172556821.db2.gz QQEATZYFUKNONL-BXUZGUMPSA-N 1 0 296.298 1.881 20 5 CDBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CC2(C[NH2+]C2)C1 ZINC001580875184 1172557896 /nfs/dbraw/zinc/55/78/96/1172557896.db2.gz CNXWCPPYLWDFRL-UHFFFAOYSA-N 1 0 288.282 1.692 20 5 CDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000261728125 1182126918 /nfs/dbraw/zinc/12/69/18/1182126918.db2.gz KWMFEKUGFAQUPH-VHSXEESVSA-N 1 0 299.352 1.013 20 5 CDBDRO COc1cc(C)nc(N2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC001165040477 721890081 /nfs/dbraw/zinc/89/00/81/721890081.db2.gz XEVYPBMLRZYMHK-LLVKDONJSA-N 1 0 294.355 1.837 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1COC[C@@H]1O ZINC000872093311 1165381177 /nfs/dbraw/zinc/38/11/77/1165381177.db2.gz UMWKYKVBPJKYFV-AXTRIDKLSA-N 1 0 298.364 1.727 20 5 CDBDRO COC[C@@]1(C)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830530380 784068938 /nfs/dbraw/zinc/06/89/38/784068938.db2.gz ZHKMEFURPFEYRQ-CABCVRRESA-N 1 0 294.351 1.987 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1OCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000789737382 784078314 /nfs/dbraw/zinc/07/83/14/784078314.db2.gz CWQBUYNWJGZOQZ-TXEJJXNPSA-N 1 0 296.298 1.976 20 5 CDBDRO CC(C)(CCc1noc(C[C@@H]2CCC[C@H]2[NH3+])n1)[N+](=O)[O-] ZINC000844919480 784087265 /nfs/dbraw/zinc/08/72/65/784087265.db2.gz JZYSRSVAIJNMPS-VHSXEESVSA-N 1 0 282.344 1.727 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1C[C@H](O)C1)OCCO2 ZINC000873177616 784093642 /nfs/dbraw/zinc/09/36/42/784093642.db2.gz XPESLHIQKQEXCI-HOMQSWHASA-N 1 0 294.307 1.227 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1Cc1cccnc1[N+](=O)[O-] ZINC000886830587 784353017 /nfs/dbraw/zinc/35/30/17/784353017.db2.gz UNUJROUTPYCUDD-NSHDSACASA-N 1 0 250.302 1.174 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000839193144 784472013 /nfs/dbraw/zinc/47/20/13/784472013.db2.gz PQWDWOKJUXSZLY-CMPLNLGQSA-N 1 0 286.715 1.752 20 5 CDBDRO CC[C@@H]1CC[C@H]1[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877830447 784695887 /nfs/dbraw/zinc/69/58/87/784695887.db2.gz HJPOHCFZVLGOEE-JUDXGUMMSA-N 1 0 294.351 1.767 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CC[C@@H](CO)CC2)c1 ZINC000843079681 784736148 /nfs/dbraw/zinc/73/61/48/784736148.db2.gz LJOLXRJXHMHIDF-LNSITVRQSA-N 1 0 294.351 1.769 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923288497 784810274 /nfs/dbraw/zinc/81/02/74/784810274.db2.gz KPBXPEBHSWLQSU-CORIIIEPSA-N 1 0 293.367 1.687 20 5 CDBDRO Cc1c(C[NH2+]CCOCCO)cccc1[N+](=O)[O-] ZINC000052925152 784881327 /nfs/dbraw/zinc/88/13/27/784881327.db2.gz CFNKSANPCDBQHB-UHFFFAOYSA-N 1 0 254.286 1.002 20 5 CDBDRO CCOC(=O)CCN(C)Cc1cccnc1[N+](=O)[O-] ZINC000885979689 784899036 /nfs/dbraw/zinc/89/90/36/784899036.db2.gz KCUQTFZHPWIGPA-UHFFFAOYSA-N 1 0 267.285 1.375 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815563651 784981787 /nfs/dbraw/zinc/98/17/87/784981787.db2.gz JVZPPKXXRVNKJS-LHLIQPBNSA-N 1 0 293.245 1.751 20 5 CDBDRO CON(C)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000850478165 785074451 /nfs/dbraw/zinc/07/44/51/785074451.db2.gz OXLYUDLJCCHJPY-LBPRGKRZSA-N 1 0 265.313 1.665 20 5 CDBDRO [NH3+]C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000923277142 785424498 /nfs/dbraw/zinc/42/44/98/785424498.db2.gz KVHYTRUHMIEFKM-ZDUSSCGKSA-N 1 0 265.313 1.051 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCC[NH+](C)C ZINC000873735320 785579165 /nfs/dbraw/zinc/57/91/65/785579165.db2.gz DSCFBGAGQKLSOX-UHFFFAOYSA-N 1 0 279.340 1.893 20 5 CDBDRO C[N@@H+](CC1=CCCOC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852519329 785723013 /nfs/dbraw/zinc/72/30/13/785723013.db2.gz YZHIANGNMZNZGU-OAHLLOKOSA-N 1 0 292.335 1.907 20 5 CDBDRO CN(C[C@H]1CC[N@H+](CC[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000929522441 785808907 /nfs/dbraw/zinc/80/89/07/785808907.db2.gz WJFJNAVHHTVWGF-LLVKDONJSA-N 1 0 287.360 1.452 20 5 CDBDRO CC[N@@H+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000776276885 785814904 /nfs/dbraw/zinc/81/49/04/785814904.db2.gz KZPSQSBGVMEPHZ-SWLSCSKDSA-N 1 0 293.367 1.654 20 5 CDBDRO CC1(C)C[NH2+]CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886829580 785829011 /nfs/dbraw/zinc/82/90/11/785829011.db2.gz CQYNEFDQTGPHHM-UHFFFAOYSA-N 1 0 250.302 1.174 20 5 CDBDRO CN(CC[NH+]1CCCC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581927 786006595 /nfs/dbraw/zinc/00/65/95/786006595.db2.gz JHYNAZINSUNKOH-HNNXBMFYSA-N 1 0 293.367 1.656 20 5 CDBDRO [NH3+]CCN(Cc1ccc(CO)o1)c1ccc([N+](=O)[O-])cc1 ZINC000809734422 786045810 /nfs/dbraw/zinc/04/58/10/786045810.db2.gz DHQCSNVUPJXIJZ-UHFFFAOYSA-N 1 0 291.307 1.645 20 5 CDBDRO C[NH2+]C[C@@H](C)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000854232534 786049170 /nfs/dbraw/zinc/04/91/70/786049170.db2.gz SEUAIUDDIVUJIQ-BDAKNGLRSA-N 1 0 252.318 1.436 20 5 CDBDRO CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000058233467 786328669 /nfs/dbraw/zinc/32/86/69/786328669.db2.gz JWZWJBPWKZKXTD-VIFPVBQESA-N 1 0 283.715 1.682 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)c2ccccc2F)c1 ZINC000819176661 786359049 /nfs/dbraw/zinc/35/90/49/786359049.db2.gz LWMMRNFUFOAIEX-ZDUSSCGKSA-N 1 0 294.286 1.254 20 5 CDBDRO CCCC[N@H+](CCCO)Cc1cccnc1[N+](=O)[O-] ZINC000886113976 786383875 /nfs/dbraw/zinc/38/38/75/786383875.db2.gz DMKISECPGKYPDO-UHFFFAOYSA-N 1 0 267.329 1.974 20 5 CDBDRO C[NH+](C)CCCOC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838284575 786409465 /nfs/dbraw/zinc/40/94/65/786409465.db2.gz KKBHQJYNFJJCPE-GFCCVEGCSA-N 1 0 282.296 1.123 20 5 CDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000843371042 786711927 /nfs/dbraw/zinc/71/19/27/786711927.db2.gz FGNBCHWDKANWBG-WAAGHKOSSA-N 1 0 297.742 1.944 20 5 CDBDRO CN1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1=O ZINC000783611088 786824092 /nfs/dbraw/zinc/82/40/92/786824092.db2.gz QRTLWLKLZLHHKG-SECBINFHSA-N 1 0 283.715 1.569 20 5 CDBDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000876544906 786852544 /nfs/dbraw/zinc/85/25/44/786852544.db2.gz AYVLBGDJNULELU-WQLMKKEISA-N 1 0 275.308 1.945 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1C[NH2+]CCO1 ZINC000134275456 786861347 /nfs/dbraw/zinc/86/13/47/786861347.db2.gz HGMLZWVVKNVAMW-QMMMGPOBSA-N 1 0 272.692 1.044 20 5 CDBDRO [NH3+]CCN(CC[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000809734384 786876172 /nfs/dbraw/zinc/87/61/72/786876172.db2.gz CFHXSOMNFKTIRU-LBPRGKRZSA-N 1 0 279.340 1.787 20 5 CDBDRO O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020140059 787032613 /nfs/dbraw/zinc/03/26/13/787032613.db2.gz WIBFAZQXKJAESY-AAVRWANBSA-N 1 0 295.383 1.469 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923346545 787042929 /nfs/dbraw/zinc/04/29/29/787042929.db2.gz SGASGRCTCSSLNP-MISXGVKJSA-N 1 0 279.340 1.310 20 5 CDBDRO Cc1cc(NCC[N@@H+](C)CCOCCO)ccc1[N+](=O)[O-] ZINC000882951368 787125694 /nfs/dbraw/zinc/12/56/94/787125694.db2.gz AZQMBHPWFAUFMX-UHFFFAOYSA-N 1 0 297.355 1.256 20 5 CDBDRO O=[N+]([O-])c1cc([N+](=O)[O-])n(CCC[NH+]2CCCC2)n1 ZINC000829837479 787140709 /nfs/dbraw/zinc/14/07/09/787140709.db2.gz GGSXHLUVNUJVGM-UHFFFAOYSA-N 1 0 269.261 1.185 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000867996010 787356310 /nfs/dbraw/zinc/35/63/10/787356310.db2.gz NEPOUYXWNBQSHI-SNVBAGLBSA-N 1 0 265.313 1.375 20 5 CDBDRO Cc1ccnc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1[N+](=O)[O-] ZINC000261599949 787533101 /nfs/dbraw/zinc/53/31/01/787533101.db2.gz PQNZNYMDVUEOFF-QWRGUYRKSA-N 1 0 262.313 1.486 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000235351442 787546867 /nfs/dbraw/zinc/54/68/67/787546867.db2.gz FDABIRCZEWEYLB-GMSGAONNSA-N 1 0 267.260 1.153 20 5 CDBDRO C[N@@H+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000846891607 787562879 /nfs/dbraw/zinc/56/28/79/787562879.db2.gz YNZZHTVUYLZLCT-CQSZACIVSA-N 1 0 293.367 1.654 20 5 CDBDRO CO[C@H](C)C(=[NH2+])NOCc1c(F)cc([N+](=O)[O-])cc1F ZINC000853674102 787633679 /nfs/dbraw/zinc/63/36/79/787633679.db2.gz RLTCKCUDTXXRIO-ZCFIWIBFSA-N 1 0 289.238 1.906 20 5 CDBDRO Nc1ccc(C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000818002241 787793647 /nfs/dbraw/zinc/79/36/47/787793647.db2.gz XNOMMTBIQPKPJT-LBPRGKRZSA-N 1 0 292.339 1.424 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000882959278 787800533 /nfs/dbraw/zinc/80/05/33/787800533.db2.gz AFVAVYNASFTDBZ-VIFPVBQESA-N 1 0 294.311 1.283 20 5 CDBDRO C[C@@H]1C[C@H](CO)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000817277304 787802252 /nfs/dbraw/zinc/80/22/52/787802252.db2.gz HKNSPBQKAWUCNX-XUJVJEKNSA-N 1 0 294.351 1.579 20 5 CDBDRO CN(CC(C)(C)C[NH3+])C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000261973646 787872629 /nfs/dbraw/zinc/87/26/29/787872629.db2.gz FASOVQUNNXLHEZ-UHFFFAOYSA-N 1 0 280.328 1.234 20 5 CDBDRO C[N@@H+]1CCC[C@@]2(CCN(Cc3cccnc3[N+](=O)[O-])C2)C1 ZINC000886217594 787889976 /nfs/dbraw/zinc/88/99/76/787889976.db2.gz CXFXRSGZUOWDLR-OAHLLOKOSA-N 1 0 290.367 1.908 20 5 CDBDRO C[C@H]([NH2+][C@H]1CCN(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815576566 787890034 /nfs/dbraw/zinc/89/00/34/787890034.db2.gz SUOJCBMBYIRXGR-ONGXEEELSA-N 1 0 264.329 1.532 20 5 CDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@H](C)[NH3+] ZINC000863566167 788016309 /nfs/dbraw/zinc/01/63/09/788016309.db2.gz CZOZPQCGUFBPKZ-VHSXEESVSA-N 1 0 280.328 1.201 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000923266063 788036616 /nfs/dbraw/zinc/03/66/16/788036616.db2.gz ODLRTUJFUQVUEU-NWDGAFQWSA-N 1 0 283.372 1.517 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000131836490 788055078 /nfs/dbraw/zinc/05/50/78/788055078.db2.gz DSVQIKWTGWQWOP-MNOVXSKESA-N 1 0 277.324 1.333 20 5 CDBDRO Cc1c(C[NH2+]C[C@@]2(C)CCC(=O)N2)cccc1[N+](=O)[O-] ZINC000873131547 788346932 /nfs/dbraw/zinc/34/69/32/788346932.db2.gz VNZBVVVKKAUSNE-CQSZACIVSA-N 1 0 277.324 1.662 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCC[C@H]2O)cc1 ZINC000843064839 788514882 /nfs/dbraw/zinc/51/48/82/788514882.db2.gz ZLTPVWCCATVKED-UPJWGTAASA-N 1 0 266.297 1.131 20 5 CDBDRO C[C@H](O)[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886121166 788525812 /nfs/dbraw/zinc/52/58/12/788525812.db2.gz WZDCMYHWJNFSSU-UWVGGRQHSA-N 1 0 251.286 1.193 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000237320582 788592286 /nfs/dbraw/zinc/59/22/86/788592286.db2.gz KDMVCTQAHYAVRC-JTQLQIEISA-N 1 0 265.313 1.109 20 5 CDBDRO C[NH+](C)CC1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000804356460 788683508 /nfs/dbraw/zinc/68/35/08/788683508.db2.gz JGFFEZJMWXSTKL-UHFFFAOYSA-N 1 0 278.356 1.955 20 5 CDBDRO CN(CC[N+](=O)[O-])C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000791051998 788720704 /nfs/dbraw/zinc/72/07/04/788720704.db2.gz JHRNJOQMRAVFGB-HNNXBMFYSA-N 1 0 277.368 1.717 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@]3(CCOC3)C2)cc1 ZINC000776590393 788847422 /nfs/dbraw/zinc/84/74/22/788847422.db2.gz DFRRDJSHYHWWDV-HUUCEWRRSA-N 1 0 292.335 1.741 20 5 CDBDRO C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000133799665 789202666 /nfs/dbraw/zinc/20/26/66/789202666.db2.gz DPLXONOSDCPEJT-WCQYABFASA-N 1 0 279.340 1.451 20 5 CDBDRO O=C(NCC1=CC[NH2+]CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000704264444 789236587 /nfs/dbraw/zinc/23/65/87/789236587.db2.gz DJNLDFRPGZNRMI-UHFFFAOYSA-N 1 0 295.726 1.898 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886011197 789265301 /nfs/dbraw/zinc/26/53/01/789265301.db2.gz WMGYFAFMSFUXHP-NSHDSACASA-N 1 0 264.329 1.373 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C/C=C/CO ZINC000717561906 789388911 /nfs/dbraw/zinc/38/89/11/789388911.db2.gz MAXVMZVEFIHGAS-OWOJBTEDSA-N 1 0 256.689 1.886 20 5 CDBDRO C[C@H]([NH3+])CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000311069174 789446697 /nfs/dbraw/zinc/44/66/97/789446697.db2.gz YQYQWFQUHZEPQT-QMMMGPOBSA-N 1 0 252.274 1.406 20 5 CDBDRO CC[C@@H](O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850529117 789463780 /nfs/dbraw/zinc/46/37/80/789463780.db2.gz NMQOLZBDHQDOTB-PSASIEDQSA-N 1 0 253.302 1.599 20 5 CDBDRO [NH3+]CC1(c2nc(-c3ccc([N+](=O)[O-])o3)no2)CC1 ZINC000843238299 789492946 /nfs/dbraw/zinc/49/29/46/789492946.db2.gz ORDGLVBIHGUEOX-UHFFFAOYSA-N 1 0 250.214 1.228 20 5 CDBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823091813 789574547 /nfs/dbraw/zinc/57/45/47/789574547.db2.gz OIDDNWDDGZZJGM-LBPRGKRZSA-N 1 0 285.388 1.765 20 5 CDBDRO [NH3+]CCc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000843184707 789591992 /nfs/dbraw/zinc/59/19/92/789591992.db2.gz HZVOAPVHOHYKOH-UHFFFAOYSA-N 1 0 277.284 1.134 20 5 CDBDRO CN(C)C1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000097930853 789621687 /nfs/dbraw/zinc/62/16/87/789621687.db2.gz FTQBABRMBLMJSF-CQSZACIVSA-N 1 0 293.367 1.702 20 5 CDBDRO COC(=O)C[C@@](C)([NH2+]Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000886309130 789812551 /nfs/dbraw/zinc/81/25/51/789812551.db2.gz UOSPWNYUDHWZTP-CQSZACIVSA-N 1 0 293.323 1.811 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NCCc1cccc([N+](=O)[O-])c1 ZINC000925627557 789847829 /nfs/dbraw/zinc/84/78/29/789847829.db2.gz BQYDZJSSYRWVJA-FZMZJTMJSA-N 1 0 263.341 1.867 20 5 CDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000110939401 1166536786 /nfs/dbraw/zinc/53/67/86/1166536786.db2.gz ZQXMKLGLSHYAQV-ZDUSSCGKSA-N 1 0 277.324 1.809 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)Nc1nccnc1C[NH3+] ZINC001173219533 912301351 /nfs/dbraw/zinc/30/13/51/912301351.db2.gz NQQLZHYFXJELAW-SNVBAGLBSA-N 1 0 287.323 1.887 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CN(C)C1 ZINC001173218778 912303243 /nfs/dbraw/zinc/30/32/43/912303243.db2.gz MDALREADQCWDHO-LLVKDONJSA-N 1 0 263.341 1.677 20 5 CDBDRO CC(=O)NC[C@@H](C)C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173219318 912303321 /nfs/dbraw/zinc/30/33/21/912303321.db2.gz AUNMPLIXYUVJIM-RYUDHWBXSA-N 1 0 293.367 1.888 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC2(C1)OCCO2 ZINC001173227301 912320069 /nfs/dbraw/zinc/32/00/69/912320069.db2.gz PLWYAQCXBNDEIO-LBPRGKRZSA-N 1 0 292.335 1.975 20 5 CDBDRO CO[C@@H]1C[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC001173229207 912319577 /nfs/dbraw/zinc/31/95/77/912319577.db2.gz RNZSHLHGUXZXBQ-TUKIKUTGSA-N 1 0 294.351 1.871 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCC(=O)N(C)C ZINC001173234032 912325012 /nfs/dbraw/zinc/32/50/12/912325012.db2.gz OSGBOBIQHCSVRE-LBPRGKRZSA-N 1 0 293.367 1.936 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC001173229959 912327165 /nfs/dbraw/zinc/32/71/65/912327165.db2.gz WNLIKMRBEOZUIN-JKOKRWQUSA-N 1 0 282.315 1.931 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCOCCO ZINC001173213855 912334539 /nfs/dbraw/zinc/33/45/39/912334539.db2.gz ICBFWTNVFSOCRU-LLVKDONJSA-N 1 0 268.313 1.124 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1-n1ccc2cc(C[NH3+])cnc21 ZINC001167311497 895218063 /nfs/dbraw/zinc/21/80/63/895218063.db2.gz NOZPNJASFSUBHB-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO C[C@H]1COC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000699772561 914245952 /nfs/dbraw/zinc/24/59/52/914245952.db2.gz DOFRFDCEMHLFPR-KWQFWETISA-N 1 0 254.261 1.858 20 5 CDBDRO C[C@H]1COC[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000699781517 914249159 /nfs/dbraw/zinc/24/91/59/914249159.db2.gz UBLXWMKLKPBZEE-GZMMTYOYSA-N 1 0 254.261 1.858 20 5 CDBDRO C[C@H]([NH3+])c1cn(Cc2cc(Cl)ccc2[N+](=O)[O-])nn1 ZINC000124300228 900284571 /nfs/dbraw/zinc/28/45/71/900284571.db2.gz UIXRTUCEIUWKSV-ZETCQYMHSA-N 1 0 281.703 1.908 20 5 CDBDRO N=C(Nc1c(Cl)nccc1[N+](=O)[O-])SCC[NH3+] ZINC001167910760 902103032 /nfs/dbraw/zinc/10/30/32/902103032.db2.gz YYUMCSYVYYFKIL-UHFFFAOYSA-N 1 0 275.721 1.682 20 5 CDBDRO Cc1cc(NC(=O)[C@H]2CC[NH2+][C@@H]2C)cc([N+](=O)[O-])c1 ZINC001356538724 906766436 /nfs/dbraw/zinc/76/64/36/906766436.db2.gz WZMJUKRXMUKKNI-SKDRFNHKSA-N 1 0 263.297 1.840 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C[NH3+])C1CC1 ZINC000159876138 909847631 /nfs/dbraw/zinc/84/76/31/909847631.db2.gz OAGFXUJLUVUZAA-LBPRGKRZSA-N 1 0 263.297 1.404 20 5 CDBDRO O=C(NCC[NH2+]Cc1ccc(CF)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932270 909886447 /nfs/dbraw/zinc/88/64/47/909886447.db2.gz PJUFYUXMNGLCLE-CHWSQXEVSA-N 1 0 295.314 1.027 20 5 CDBDRO Cc1ccnc(N[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000070495820 916225044 /nfs/dbraw/zinc/22/50/44/916225044.db2.gz MAMDWRDRDSRDRS-NSHDSACASA-N 1 0 262.313 1.804 20 5 CDBDRO CC1(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001127845456 918746726 /nfs/dbraw/zinc/74/67/26/918746726.db2.gz GJRXODYQDLXGEB-UHFFFAOYSA-N 1 0 277.324 1.601 20 5 CDBDRO COc1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)nc1[N+](=O)[O-] ZINC001162390465 922470044 /nfs/dbraw/zinc/47/00/44/922470044.db2.gz FYQVGGCADMYDSK-DTWKUNHWSA-N 1 0 266.301 1.680 20 5 CDBDRO COC(=O)N(C)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000689525307 936761964 /nfs/dbraw/zinc/76/19/64/936761964.db2.gz KDGINXZIHYTXQZ-JTQLQIEISA-N 1 0 281.312 1.944 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC001117967065 922764680 /nfs/dbraw/zinc/76/46/80/922764680.db2.gz RAYDVIWJSCLDKM-SNVBAGLBSA-N 1 0 294.355 1.700 20 5 CDBDRO Cc1nc(Cl)nc(NCC2([NH3+])CCC2)c1[N+](=O)[O-] ZINC001163322176 923560141 /nfs/dbraw/zinc/56/01/41/923560141.db2.gz QMLZKONSEFRRDK-UHFFFAOYSA-N 1 0 271.708 1.640 20 5 CDBDRO O=c1c(Cl)cc([N+](=O)[O-])cn1C[C@H]1CCC[NH2+]C1 ZINC001118198630 923890115 /nfs/dbraw/zinc/89/01/15/923890115.db2.gz XFQORWCXCUVHJC-QMMMGPOBSA-N 1 0 271.704 1.410 20 5 CDBDRO Cc1c(C[NH2+]CC(=O)NCC(C)C)cccc1[N+](=O)[O-] ZINC000228700079 936909741 /nfs/dbraw/zinc/90/97/41/936909741.db2.gz JKXIZUPRQBHUCL-UHFFFAOYSA-N 1 0 279.340 1.765 20 5 CDBDRO O=[N+]([O-])c1cc(O)cc(Nc2cc[nH+]c(CO)c2)c1 ZINC001199818911 925855256 /nfs/dbraw/zinc/85/52/56/925855256.db2.gz GUMCCBIIZSMXKW-UHFFFAOYSA-N 1 0 261.237 1.931 20 5 CDBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(N)n1 ZINC001155024009 926415827 /nfs/dbraw/zinc/41/58/27/926415827.db2.gz GMVYDQNJSGUHPG-VHSXEESVSA-N 1 0 279.344 1.620 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@H]2COCCC23C[NH2+]C3)c(Cl)c1 ZINC001155461995 926844736 /nfs/dbraw/zinc/84/47/36/926844736.db2.gz NLXFDKFWTHPCRV-JTQLQIEISA-N 1 0 298.730 1.434 20 5 CDBDRO [NH3+][C@@H]1CCN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)C1 ZINC001156233357 927536454 /nfs/dbraw/zinc/53/64/54/927536454.db2.gz QNURAPQHZFIHDF-SNVBAGLBSA-N 1 0 285.307 1.589 20 5 CDBDRO NC(=[NH2+])N(c1ccccc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977498 927563379 /nfs/dbraw/zinc/56/33/79/927563379.db2.gz KLJNEJGBORCAGS-CMPLNLGQSA-N 1 0 262.313 1.832 20 5 CDBDRO COC1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168977766 927563479 /nfs/dbraw/zinc/56/34/79/927563479.db2.gz LTSMWPDSGNHJQM-CQLXCSJHSA-N 1 0 256.346 1.979 20 5 CDBDRO COC(=O)C1(N[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1 ZINC001168961230 927582534 /nfs/dbraw/zinc/58/25/34/927582534.db2.gz IGTFWLBANBRXLU-NXEZZACHSA-N 1 0 256.302 1.117 20 5 CDBDRO [NH3+][C@@H]1Cc2ccccc2N([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168962370 927584943 /nfs/dbraw/zinc/58/49/43/927584943.db2.gz LXPASIRKXNSVSX-IACUBPJLSA-N 1 0 275.352 1.822 20 5 CDBDRO COCC[NH+](CCOC)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007366 927611545 /nfs/dbraw/zinc/61/15/45/927611545.db2.gz MXASERJDNUDONB-NWDGAFQWSA-N 1 0 260.334 1.027 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCN2CCCCCC2)C1 ZINC001168968129 927590581 /nfs/dbraw/zinc/59/05/81/927590581.db2.gz WKIIKBRFVFDUAI-KBPBESRZSA-N 1 0 269.389 1.897 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001168968764 927591843 /nfs/dbraw/zinc/59/18/43/927591843.db2.gz AIOZTKCSDMJQNT-CMPLNLGQSA-N 1 0 265.313 1.625 20 5 CDBDRO NC(=O)[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001169006354 927611777 /nfs/dbraw/zinc/61/17/77/927611777.db2.gz XRQLTUABVVNCGH-KGYLQXTDSA-N 1 0 277.324 1.248 20 5 CDBDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@]1(C)O ZINC001169009970 927614413 /nfs/dbraw/zinc/61/44/13/927614413.db2.gz ABMRAKAAUYSVBX-LPWJVIDDSA-N 1 0 256.346 1.525 20 5 CDBDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011258 927616351 /nfs/dbraw/zinc/61/63/51/927616351.db2.gz IZACILMSOQLHGS-WHOHXGKFSA-N 1 0 252.314 1.628 20 5 CDBDRO O=C1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@H]1F ZINC001169010623 927617394 /nfs/dbraw/zinc/61/73/94/927617394.db2.gz FGAVZWUVQFTFMX-GMTAPVOTSA-N 1 0 258.293 1.435 20 5 CDBDRO [NH3+]Cc1ccc(N[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001168990505 927629063 /nfs/dbraw/zinc/62/90/63/927629063.db2.gz ZTIHRDLNFHJJEA-ZJUUUORDSA-N 1 0 250.302 1.398 20 5 CDBDRO Cc1cc(C[N@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)n(C)n1 ZINC001169027497 927632164 /nfs/dbraw/zinc/63/21/64/927632164.db2.gz QJACGIQJWIVYAD-RYUDHWBXSA-N 1 0 266.345 1.606 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(c3cccnn3)CC2)C1 ZINC001169033981 927642408 /nfs/dbraw/zinc/64/24/08/927642408.db2.gz DWLSSBNPWUHVIP-CHWSQXEVSA-N 1 0 291.355 1.044 20 5 CDBDRO CN1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1(C)C ZINC001169039154 927651123 /nfs/dbraw/zinc/65/11/23/927651123.db2.gz NSZTYQGBNQEKHV-VXGBXAGGSA-N 1 0 255.362 1.458 20 5 CDBDRO CN1CCC2(CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)C1=O ZINC001169045663 927657658 /nfs/dbraw/zinc/65/76/58/927657658.db2.gz JPSBNVWENDDITD-OLZOCXBDSA-N 1 0 295.383 1.376 20 5 CDBDRO COCc1nn([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c2c1C[NH2+]C2 ZINC001169022759 927662142 /nfs/dbraw/zinc/66/21/42/927662142.db2.gz SMHIUNJJLIVLFV-ZJUUUORDSA-N 1 0 280.328 1.251 20 5 CDBDRO CCOC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169026110 927666212 /nfs/dbraw/zinc/66/62/12/927666212.db2.gz KTABUMNIYRVTTI-VXGBXAGGSA-N 1 0 256.346 1.933 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(N3CCC3)CC2)C1 ZINC001169052549 927670127 /nfs/dbraw/zinc/67/01/27/927670127.db2.gz HEJGJPQYISKVFO-GXTWGEPZSA-N 1 0 267.373 1.602 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCO[C@H](C[NH+]3CCCC3)C2)C1 ZINC001169054827 927672501 /nfs/dbraw/zinc/67/25/01/927672501.db2.gz NSFLNMBTLHXFSE-RBSFLKMASA-N 1 0 297.399 1.228 20 5 CDBDRO O=C1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]12 ZINC001169057950 927675918 /nfs/dbraw/zinc/67/59/18/927675918.db2.gz ZIBRYQDQRMZTER-UMSGYPCISA-N 1 0 266.341 1.733 20 5 CDBDRO [NH3+]Cc1cccn1-c1ncc([N+](=O)[O-])cc1Cl ZINC001156724072 928946736 /nfs/dbraw/zinc/94/67/36/928946736.db2.gz VRCCMMAVEVCJNK-UHFFFAOYSA-N 1 0 252.661 1.893 20 5 CDBDRO [NH3+]Cc1cccn1-c1nccc(Cl)c1[N+](=O)[O-] ZINC001156724113 928948163 /nfs/dbraw/zinc/94/81/63/928948163.db2.gz XFBAFRQZPSGZTP-UHFFFAOYSA-N 1 0 252.661 1.893 20 5 CDBDRO [NH3+]CCc1ccn(-c2cc([N+](=O)[O-])cc(Cl)n2)n1 ZINC001156898916 929050351 /nfs/dbraw/zinc/05/03/51/929050351.db2.gz YWYUGDMMJCENAS-UHFFFAOYSA-N 1 0 267.676 1.330 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH2+]C[C@@H]2CO)cc2ccccc21 ZINC001170789913 930035893 /nfs/dbraw/zinc/03/58/93/930035893.db2.gz ROVPZONQCVFYLQ-RISCZKNCSA-N 1 0 287.319 1.740 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)OCCC[NH+]1CCCCC1 ZINC000800191661 930423016 /nfs/dbraw/zinc/42/30/16/930423016.db2.gz BDYNRLQZXOJYMF-UHFFFAOYSA-N 1 0 296.327 1.361 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1cc2cccnc2c([N+](=O)[O-])c1 ZINC001170864625 930510130 /nfs/dbraw/zinc/51/01/30/930510130.db2.gz UWZSQRVIYHRCLU-CYBMUJFWSA-N 1 0 276.296 1.612 20 5 CDBDRO CN(C)C(=O)CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818975515 930749450 /nfs/dbraw/zinc/74/94/50/930749450.db2.gz YJNFESNDHIABAJ-ZDUSSCGKSA-N 1 0 295.339 1.086 20 5 CDBDRO CCN(C)C(=O)[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819257561 930772832 /nfs/dbraw/zinc/77/28/32/930772832.db2.gz DQBRFWKLHZLGNP-GWCFXTLKSA-N 1 0 295.339 1.085 20 5 CDBDRO Cn1cc(CN2CCCC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])n1 ZINC000886876068 930982686 /nfs/dbraw/zinc/98/26/86/930982686.db2.gz CALAWAKBGNUYGR-AWEZNQCLSA-N 1 0 293.371 1.294 20 5 CDBDRO COc1cc(OC[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000111054798 930990922 /nfs/dbraw/zinc/99/09/22/930990922.db2.gz SURRVVRDRLEQJD-SNVBAGLBSA-N 1 0 266.297 1.982 20 5 CDBDRO COC(C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000037566699 931068792 /nfs/dbraw/zinc/06/87/92/931068792.db2.gz QHHPLXDKXRMGNY-SECBINFHSA-N 1 0 254.286 1.864 20 5 CDBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000826676653 931409625 /nfs/dbraw/zinc/40/96/25/931409625.db2.gz BLWIUJAONLUFCZ-NEPJUHHUSA-N 1 0 285.388 1.811 20 5 CDBDRO CS[C@H]1CC[C@@H](N(C)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001323271124 931771190 /nfs/dbraw/zinc/77/11/90/931771190.db2.gz YUSAUOYWROZYSF-KOLCDFICSA-N 1 0 270.358 1.965 20 5 CDBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001117779883 937552935 /nfs/dbraw/zinc/55/29/35/937552935.db2.gz BZILBXOVSSGRRY-NWDGAFQWSA-N 1 0 285.388 1.811 20 5 CDBDRO [NH3+]CCc1cc2ccccc2n1-c1nccnc1[N+](=O)[O-] ZINC001171300619 932449400 /nfs/dbraw/zinc/44/94/00/932449400.db2.gz CGUPNSDVGWWFTM-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO COc1ccnc(NC[C@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC001171328701 932689988 /nfs/dbraw/zinc/68/99/88/932689988.db2.gz QZDVMZZPKSXXGY-SECBINFHSA-N 1 0 266.301 1.552 20 5 CDBDRO C[NH+](C)C[C@@H](CNCC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001120513183 937805323 /nfs/dbraw/zinc/80/53/23/937805323.db2.gz IMYHQJQSZBYZSG-GFCCVEGCSA-N 1 0 285.775 1.852 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1nc(Cl)cc(C)c1[N+](=O)[O-] ZINC001156039923 938313340 /nfs/dbraw/zinc/31/33/40/938313340.db2.gz ZPTNWECBKVZULE-UHFFFAOYSA-N 1 0 281.703 1.904 20 5 CDBDRO [NH3+]CCc1ccn(-c2ncc([N+](=O)[O-])cc2Cl)n1 ZINC001156898803 938431374 /nfs/dbraw/zinc/43/13/74/938431374.db2.gz UTZRSABJPDWIRS-UHFFFAOYSA-N 1 0 267.676 1.330 20 5 CDBDRO [NH3+]CCN(c1cccnc1)c1cccc([N+](=O)[O-])n1 ZINC001157999834 938573735 /nfs/dbraw/zinc/57/37/35/938573735.db2.gz BMPORFABTMSILN-UHFFFAOYSA-N 1 0 259.269 1.482 20 5 CDBDRO Cc1cnc(N(C(C)C)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001158021471 938575572 /nfs/dbraw/zinc/57/55/72/938575572.db2.gz KANBXXZFDROOOJ-LLVKDONJSA-N 1 0 264.329 1.875 20 5 CDBDRO O=[N+]([O-])c1ccnc(N2CCO[C@@H](C[NH+]3CCCC3)C2)c1 ZINC001158306810 938606487 /nfs/dbraw/zinc/60/64/87/938606487.db2.gz ZLCLZBQPGNMYJM-ZDUSSCGKSA-N 1 0 292.339 1.291 20 5 CDBDRO O=[N+]([O-])c1ccc2ncc(N3CC[N@@H+]4CC[C@@H]4C3)nc2c1 ZINC001158424063 938622726 /nfs/dbraw/zinc/62/27/26/938622726.db2.gz SDZOKDAWFBRHDQ-LLVKDONJSA-N 1 0 285.307 1.432 20 5 CDBDRO O=[N+]([O-])c1cc(N2CC[N@@H+]3CC[C@@H]3C2)nc2[nH]ccc21 ZINC001158431635 938624667 /nfs/dbraw/zinc/62/46/67/938624667.db2.gz FJMUZRWTAARINY-SECBINFHSA-N 1 0 273.296 1.365 20 5 CDBDRO Cc1ccnc(N2CCC3(C[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC001159041779 938695256 /nfs/dbraw/zinc/69/52/56/938695256.db2.gz CMOOZAOEASDWCY-UHFFFAOYSA-N 1 0 262.313 1.488 20 5 CDBDRO [NH3+]Cc1ccc(Nc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])cn1 ZINC001160402111 938784596 /nfs/dbraw/zinc/78/45/96/938784596.db2.gz JQJOWEAUJJNRNR-UHFFFAOYSA-N 1 0 295.686 1.479 20 5 CDBDRO [NH3+]C/C=C/CNC(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001160977356 938853725 /nfs/dbraw/zinc/85/37/25/938853725.db2.gz WJNPFNNENZDIDG-OWOJBTEDSA-N 1 0 292.673 1.797 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2C[C@@](C)([NH3+])C2)n1 ZINC001162325140 939024055 /nfs/dbraw/zinc/02/40/55/939024055.db2.gz QBZJWUXDVWAOPZ-XGAOUMNUSA-N 1 0 271.708 1.638 20 5 CDBDRO COc1ccnc(N[C@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001162390084 939041989 /nfs/dbraw/zinc/04/19/89/939041989.db2.gz BWRFVSWAFMPJBB-BDAKNGLRSA-N 1 0 266.301 1.680 20 5 CDBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001162405298 939047321 /nfs/dbraw/zinc/04/73/21/939047321.db2.gz UFXXNFNLXSKDEM-RKDXNWHRSA-N 1 0 294.311 1.458 20 5 CDBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC001162456686 939059555 /nfs/dbraw/zinc/05/95/55/939059555.db2.gz YMNMERCSRUUNCJ-UWVGGRQHSA-N 1 0 265.317 1.432 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)c(F)c1 ZINC001162794613 939142307 /nfs/dbraw/zinc/14/23/07/939142307.db2.gz QLRSPPOYJYGDKS-POZPLHJXSA-N 1 0 264.260 1.315 20 5 CDBDRO O=[N+]([O-])c1nccnc1NCc1ccc2c(c1)CC[NH2+]C2 ZINC001162794935 939142489 /nfs/dbraw/zinc/14/24/89/939142489.db2.gz AONJYKMPPNLFBQ-UHFFFAOYSA-N 1 0 285.307 1.643 20 5 CDBDRO COc1cnc(N[C@@]23CCC[C@@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC001162984009 939169207 /nfs/dbraw/zinc/16/92/07/939169207.db2.gz PINSSJOTRUPMFV-WCQYABFASA-N 1 0 278.312 1.695 20 5 CDBDRO O=[N+]([O-])c1c(F)cc(F)cc1N[C@@H]1COCCC12C[NH2+]C2 ZINC001163073461 939190898 /nfs/dbraw/zinc/19/08/98/939190898.db2.gz OUTBCTKWBUTYSJ-LLVKDONJSA-N 1 0 299.277 1.663 20 5 CDBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cc([N+](=O)[O-])ccc2Cl)N1 ZINC001163250947 939232636 /nfs/dbraw/zinc/23/26/36/939232636.db2.gz PSGPONRLVJZCLN-CMPLNLGQSA-N 1 0 296.714 1.238 20 5 CDBDRO O=[N+]([O-])c1ncccc1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163277620 939238358 /nfs/dbraw/zinc/23/83/58/939238358.db2.gz FIAXBUSUTQWVPA-BXUZGUMPSA-N 1 0 292.339 1.560 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)n1 ZINC001163322433 939246912 /nfs/dbraw/zinc/24/69/12/939246912.db2.gz ICXRCKYBRFOHCE-RISCZKNCSA-N 1 0 292.339 1.621 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001163986351 939373660 /nfs/dbraw/zinc/37/36/60/939373660.db2.gz ZYDSTEGHXJKDCU-UHFFFAOYSA-N 1 0 272.268 1.424 20 5 CDBDRO C[C@H]1CC[C@H](C[NH3+])N(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001164072594 939405594 /nfs/dbraw/zinc/40/55/94/939405594.db2.gz AHPGZTWIFCCIKZ-DTWKUNHWSA-N 1 0 265.317 1.136 20 5 CDBDRO CC(C)N(CCC[NH3+])c1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001164120924 939412785 /nfs/dbraw/zinc/41/27/85/939412785.db2.gz BGVSBAQLXTXMAI-UHFFFAOYSA-N 1 0 278.316 1.430 20 5 CDBDRO Cc1cnc(N(CCC[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC001164127278 939414486 /nfs/dbraw/zinc/41/44/86/939414486.db2.gz UEAZJKUHELVASR-UHFFFAOYSA-N 1 0 252.318 1.862 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2-n1ncc2c1CC[NH2+]C2 ZINC001165218338 939526028 /nfs/dbraw/zinc/52/60/28/939526028.db2.gz BMXVDGLTRGKWSO-UHFFFAOYSA-N 1 0 296.290 1.369 20 5 CDBDRO [NH3+]CC1(F)CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001165259585 939535195 /nfs/dbraw/zinc/53/51/95/939535195.db2.gz OOQHMFRXMDQZPL-UHFFFAOYSA-N 1 0 288.710 1.910 20 5 CDBDRO Cn1cc(NCC[C@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1=O ZINC001165279179 939539844 /nfs/dbraw/zinc/53/98/44/939539844.db2.gz QDUAVFNCHFUUNQ-LLVKDONJSA-N 1 0 294.355 1.437 20 5 CDBDRO CCc1nnc(C[C@@H]([NH3+])c2cccc([N+](=O)[O-])c2)o1 ZINC001217734407 941013242 /nfs/dbraw/zinc/01/32/42/941013242.db2.gz WQIQXJSUYNXNDJ-SNVBAGLBSA-N 1 0 262.269 1.783 20 5 CDBDRO COC(=O)C[C@H]1CCC[C@@H](OCC[N+](C)(C)C)C1 ZINC001224776284 941789871 /nfs/dbraw/zinc/78/98/71/941789871.db2.gz UKZXTPPMFLVISG-QWHCGFSZSA-N 1 0 258.382 1.831 20 5 CDBDRO COc1ccccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225212572 941830310 /nfs/dbraw/zinc/83/03/10/941830310.db2.gz OOWGKHOOFHQQBQ-LLVKDONJSA-N 1 0 268.333 1.058 20 5 CDBDRO COc1ccc(O[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001225769631 941911663 /nfs/dbraw/zinc/91/16/63/941911663.db2.gz NQWVSWAMMJJSKV-SECBINFHSA-N 1 0 254.286 1.932 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc([N+](=O)[O-])cc1C(N)=O ZINC001226173446 941963167 /nfs/dbraw/zinc/96/31/67/941963167.db2.gz SJAFAJHBHQCDRV-VIFPVBQESA-O 1 0 282.320 1.167 20 5 CDBDRO COc1c[nH]c(=S)nc1O[C@H](C)C[N+](C)(C)C ZINC001226247583 941974115 /nfs/dbraw/zinc/97/41/15/941974115.db2.gz XRDCJQWVOMHHBJ-MRVPVSSYSA-O 1 0 258.367 1.247 20 5 CDBDRO Cc1cnc(O[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001227234268 942154654 /nfs/dbraw/zinc/15/46/54/942154654.db2.gz FLCJMVYXTDCBJB-SNVBAGLBSA-N 1 0 251.286 1.771 20 5 CDBDRO CCOC(=O)Cc1cncnc1O[C@@H](C)C[N+](C)(C)C ZINC001228316631 942298745 /nfs/dbraw/zinc/29/87/45/942298745.db2.gz LDDYEISYROKKOH-NSHDSACASA-N 1 0 282.364 1.056 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)Oc1nc2c[nH]cc([N+](=O)[O-])c-2n1 ZINC001230229036 942591818 /nfs/dbraw/zinc/59/18/18/942591818.db2.gz CZVIVLWXCIOVTH-SECBINFHSA-N 1 0 293.327 1.975 20 5 CDBDRO COc1cc(CC[N+](=O)[O-])ccc1O[C@@H](C)C[N+](C)(C)C ZINC001233988794 943707416 /nfs/dbraw/zinc/70/74/16/943707416.db2.gz XSBMMSMTEGPQCZ-LBPRGKRZSA-N 1 0 297.375 1.988 20 5 CDBDRO COc1ccc(N=O)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001234021376 943717647 /nfs/dbraw/zinc/71/76/47/943717647.db2.gz UKWVRPYBMYVSKX-SNVBAGLBSA-N 1 0 297.331 1.456 20 5 CDBDRO C[NH2+][C@@H](C)CCNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC001261370228 946079908 /nfs/dbraw/zinc/07/99/08/946079908.db2.gz CKLSNVUFJSMGIQ-JTQLQIEISA-N 1 0 297.355 1.700 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCNC(=O)C1 ZINC001254533190 947512774 /nfs/dbraw/zinc/51/27/74/947512774.db2.gz XTRKSKFNSPZTDG-NWDGAFQWSA-N 1 0 291.351 1.642 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(C(N)=O)CCCC1 ZINC001254537036 947515793 /nfs/dbraw/zinc/51/57/93/947515793.db2.gz WEYCJBYQMVQQJC-LLVKDONJSA-N 1 0 291.351 1.914 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COC[C@@H]1F ZINC001254548422 947520398 /nfs/dbraw/zinc/52/03/98/947520398.db2.gz IWQSUJVDZIVZHC-USWWRNFRSA-N 1 0 268.288 1.852 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1C[N@@H+]2C ZINC001254566302 947527814 /nfs/dbraw/zinc/52/78/14/947527814.db2.gz SNEWKGJCMZOWIG-UBHSHLNASA-N 1 0 275.352 1.914 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1C[N@@H+]2C ZINC001254566307 947528598 /nfs/dbraw/zinc/52/85/98/947528598.db2.gz SNEWKGJCMZOWIG-XBFCOCLRSA-N 1 0 275.352 1.914 20 5 CDBDRO Cn1cc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001254568870 947531395 /nfs/dbraw/zinc/53/13/95/947531395.db2.gz VLVNWDWHOGMNER-ZDUSSCGKSA-N 1 0 272.308 1.585 20 5 CDBDRO Cn1cc(CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001254574706 947532588 /nfs/dbraw/zinc/53/25/88/947532588.db2.gz KIUBKVRVFOACAN-AWEZNQCLSA-N 1 0 286.335 1.628 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H](CO)c1ccncc1)C2 ZINC001254580569 947537694 /nfs/dbraw/zinc/53/76/94/947537694.db2.gz GNNAVAUMYNWPEM-ZBFHGGJFSA-N 1 0 299.330 1.780 20 5 CDBDRO CC(C)[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254584730 947539453 /nfs/dbraw/zinc/53/94/53/947539453.db2.gz TZVLBVJGHUBFPH-AAEUAGOBSA-N 1 0 277.324 1.162 20 5 CDBDRO CC[N@H+](CCN(C)C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596671 947545825 /nfs/dbraw/zinc/54/58/25/947545825.db2.gz DXGUKHMYEMFPGW-OAHLLOKOSA-N 1 0 277.368 1.946 20 5 CDBDRO C[N@H+](Cc1ccncn1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605704 947554302 /nfs/dbraw/zinc/55/43/02/947554302.db2.gz CTCWWMNHEJZHKE-OAHLLOKOSA-N 1 0 284.319 1.984 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[NH+]3CCC1CC3)C2 ZINC001254602987 947554460 /nfs/dbraw/zinc/55/44/60/947554460.db2.gz JOVXQTDICJFFFI-INIZCTEOSA-N 1 0 287.363 1.842 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1C[NH2+]CC12CC2 ZINC001246132137 947977688 /nfs/dbraw/zinc/97/76/88/947977688.db2.gz LCTKVBPICAKUIG-RISCZKNCSA-N 1 0 275.352 1.867 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@H]3[NH2+]CC[C@H]31)C2 ZINC001246633324 948369191 /nfs/dbraw/zinc/36/91/91/948369191.db2.gz CEEZSYIWCAEWGR-RBSFLKMASA-N 1 0 273.336 1.498 20 5 CDBDRO CC(C)(C)[NH+]1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC001334032525 954081010 /nfs/dbraw/zinc/08/10/10/954081010.db2.gz KMVQOXSVZMDOOF-UHFFFAOYSA-N 1 0 278.356 1.906 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+](C)C1 ZINC001326089566 954211455 /nfs/dbraw/zinc/21/14/55/954211455.db2.gz CGHMWODLSHEZIX-LLVKDONJSA-N 1 0 264.329 1.474 20 5 CDBDRO O=C(CC[C@@H]1CCC[NH2+]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326805026 954562564 /nfs/dbraw/zinc/56/25/64/954562564.db2.gz BFWIKIXRKKFYEL-ZDUSSCGKSA-N 1 0 289.335 1.969 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326810088 954564628 /nfs/dbraw/zinc/56/46/28/954564628.db2.gz JNZGMMNFQFKAID-ZJUUUORDSA-N 1 0 292.339 1.746 20 5 CDBDRO Cc1n[nH]c(C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001318497221 958138069 /nfs/dbraw/zinc/13/80/69/958138069.db2.gz XPDPQXFFWPJHDU-VHSXEESVSA-N 1 0 295.343 1.229 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001333671279 958496721 /nfs/dbraw/zinc/49/67/21/958496721.db2.gz PZERBRPBUCGLDU-MNOVXSKESA-N 1 0 279.344 1.249 20 5 CDBDRO CCC[C@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)CC[NH2+]1 ZINC001334284692 958998241 /nfs/dbraw/zinc/99/82/41/958998241.db2.gz HFSHNMWAMQZVAW-JTQLQIEISA-N 1 0 265.317 1.272 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001335934320 960109658 /nfs/dbraw/zinc/10/96/58/960109658.db2.gz PZZPXISKNDPNCQ-SNVBAGLBSA-N 1 0 278.230 1.605 20 5 CDBDRO CC[NH+](CC)C1CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001336484952 960363799 /nfs/dbraw/zinc/36/37/99/960363799.db2.gz BLMRRLFRBSXVMX-UHFFFAOYSA-N 1 0 293.371 1.883 20 5 CDBDRO CO[C@@H](C)[C@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001336815071 960622417 /nfs/dbraw/zinc/62/24/17/960622417.db2.gz VXYKMGJEUAXMJA-KWBADKCTSA-N 1 0 268.313 1.641 20 5 CDBDRO C[C@H](c1nnc(N(C)CC[NH+]2CCCCC2)n1C)[N+](=O)[O-] ZINC001338210465 961693589 /nfs/dbraw/zinc/69/35/89/961693589.db2.gz RLQDVWZXSQKFGI-LLVKDONJSA-N 1 0 296.375 1.075 20 5 CDBDRO O=C(N1CCc2ccc([N+](=O)[O-])cc2C1)C12CC(C1)C[NH2+]2 ZINC001340066030 962721872 /nfs/dbraw/zinc/72/18/72/962721872.db2.gz VDCGGOYLFZCQNJ-UHFFFAOYSA-N 1 0 287.319 1.232 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC2(C[NH2+]C2)CC1 ZINC001340689855 963071203 /nfs/dbraw/zinc/07/12/03/963071203.db2.gz AHMYUVFMRNRFSO-UHFFFAOYSA-N 1 0 289.335 1.349 20 5 CDBDRO Cc1ccnc(C2CCN(CC[N+](=O)[O-])CC2)n1 ZINC001341075775 963265838 /nfs/dbraw/zinc/26/58/38/963265838.db2.gz HLDODJSEDQZMAX-UHFFFAOYSA-N 1 0 250.302 1.241 20 5 CDBDRO Cc1c(C(=O)N2CCC3(C[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC001341319666 963363894 /nfs/dbraw/zinc/36/38/94/963363894.db2.gz FSVOWQYGPFKUGR-UHFFFAOYSA-N 1 0 289.335 1.729 20 5 CDBDRO O=C(NC[C@@H]1CCCCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001341439575 963418228 /nfs/dbraw/zinc/41/82/28/963418228.db2.gz ZFHVOEBYZOVLRL-NSHDSACASA-N 1 0 277.324 1.857 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCCC[NH2+]1 ZINC001341558109 963463911 /nfs/dbraw/zinc/46/39/11/963463911.db2.gz FCUUVYLGJKLLDC-ZDUSSCGKSA-N 1 0 291.351 1.786 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341878316 963569538 /nfs/dbraw/zinc/56/95/38/963569538.db2.gz MYSDKMBCXQFOCR-STQMWFEESA-N 1 0 291.351 1.942 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH3+])CC2)c1C ZINC001342816507 963832362 /nfs/dbraw/zinc/83/23/62/963832362.db2.gz ZSTPQIIEBULKEE-UHFFFAOYSA-N 1 0 263.297 1.433 20 5 CDBDRO O=C([C@@H]1CCCC[NH2+]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001346046922 964898876 /nfs/dbraw/zinc/89/88/76/964898876.db2.gz NWTQVFDKLXYRAE-ZDUSSCGKSA-N 1 0 275.308 1.579 20 5 CDBDRO Cn1c2ccc(C[NH2+]CC[N+](=O)[O-])cc2nc1C1CC1 ZINC001353353251 967921822 /nfs/dbraw/zinc/92/18/22/967921822.db2.gz JYACPULUTRGUJO-UHFFFAOYSA-N 1 0 274.324 1.817 20 5 CDBDRO [NH3+]CCCCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001521513048 970307083 /nfs/dbraw/zinc/30/70/83/970307083.db2.gz OREDNBNEIBKYSE-STQMWFEESA-N 1 0 277.324 1.553 20 5 CDBDRO Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[NH2+]C3)cc1[N+](=O)[O-] ZINC001514706939 976326968 /nfs/dbraw/zinc/32/69/68/976326968.db2.gz FVOBYWUPDORCOW-WFASDCNBSA-N 1 0 289.335 1.775 20 5 CDBDRO CC[NH2+]C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001577818435 1171748491 /nfs/dbraw/zinc/74/84/91/1171748491.db2.gz MTELVWRWGLUYPM-UHFFFAOYSA-N 1 0 292.339 1.391 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001578637475 1171967953 /nfs/dbraw/zinc/96/79/53/1171967953.db2.gz HZECLPOSQFXYSU-SSDOTTSWSA-N 1 0 270.264 1.463 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000611528419 346813068 /nfs/dbraw/zinc/81/30/68/346813068.db2.gz PKDORIQCUXSVHQ-JTQLQIEISA-N 1 0 292.339 1.201 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000590402808 342544045 /nfs/dbraw/zinc/54/40/45/342544045.db2.gz GDBZAJFVPVRXGW-BXUZGUMPSA-N 1 0 291.351 1.688 20 5 CDBDRO Cc1cc(NCC[N@@H+]2CC[C@H](O)C2)c(F)cc1[N+](=O)[O-] ZINC000599199819 343979752 /nfs/dbraw/zinc/97/97/52/343979752.db2.gz RJEYXIFAWXNXKF-JTQLQIEISA-N 1 0 283.303 1.521 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000127686504 187326775 /nfs/dbraw/zinc/32/67/75/187326775.db2.gz IRBXMPCMMMHUQO-VIIAAUOXSA-N 1 0 289.335 1.818 20 5 CDBDRO C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@@H+](C2CC2)C1 ZINC000590703693 342582505 /nfs/dbraw/zinc/58/25/05/342582505.db2.gz UUYIUXGRAPZWFO-SNVBAGLBSA-N 1 0 279.344 1.249 20 5 CDBDRO C[C@@H](O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000125166783 187173207 /nfs/dbraw/zinc/17/32/07/187173207.db2.gz HYWMZBQWKYEADP-SNVBAGLBSA-N 1 0 290.323 1.466 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c(F)c1 ZINC000591438674 342632006 /nfs/dbraw/zinc/63/20/06/342632006.db2.gz PJLSUGDIONGKFY-GZMMTYOYSA-N 1 0 266.276 1.317 20 5 CDBDRO O=C(NCC[NH2+]C1CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000591678816 342641540 /nfs/dbraw/zinc/64/15/40/342641540.db2.gz ZZABWXCYEFQRBC-UHFFFAOYSA-N 1 0 289.291 1.823 20 5 CDBDRO O=[N+]([O-])c1ccc(OC[C@H]2CC[NH2+]C2)cc1CO ZINC000592167215 342671392 /nfs/dbraw/zinc/67/13/92/342671392.db2.gz HSBNALHRXQLIJW-VIFPVBQESA-N 1 0 252.270 1.075 20 5 CDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCC[NH3+] ZINC000592473556 342698518 /nfs/dbraw/zinc/69/85/18/342698518.db2.gz AOKPXHTYPKHPPH-JTQLQIEISA-N 1 0 280.328 1.202 20 5 CDBDRO CC(C)(NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000592539378 342708173 /nfs/dbraw/zinc/70/81/73/342708173.db2.gz NVVWBIZTTSJFTC-ITGUQSILSA-N 1 0 289.335 1.412 20 5 CDBDRO C[C@@H](O)C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000159517106 361984207 /nfs/dbraw/zinc/98/42/07/361984207.db2.gz MIJYUAUDTXEEGV-SNVBAGLBSA-N 1 0 281.312 1.236 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCCC1CC[NH2+]CC1 ZINC000593919220 342851433 /nfs/dbraw/zinc/85/14/33/342851433.db2.gz OIYAJWRWLXUQCI-UHFFFAOYSA-N 1 0 291.351 1.643 20 5 CDBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2COCCN2)cccc1[N+](=O)[O-] ZINC000600709267 342243407 /nfs/dbraw/zinc/24/34/07/342243407.db2.gz HXDLIQPNKMQEHS-VXGBXAGGSA-N 1 0 279.340 1.542 20 5 CDBDRO CC[C@H]([NH2+]C[C@H]1COCCN1)c1cccc([N+](=O)[O-])c1 ZINC000600710973 342243581 /nfs/dbraw/zinc/24/35/81/342243581.db2.gz RCDDCEGLUMLYGK-JSGCOSHPSA-N 1 0 279.340 1.624 20 5 CDBDRO CC(C)[C@H]1C[NH2+]CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000600716622 342244278 /nfs/dbraw/zinc/24/42/78/342244278.db2.gz ZMBJMKQOKPYVEH-OAHLLOKOSA-N 1 0 293.367 1.903 20 5 CDBDRO CN(CCOCC[NH3+])Cc1c(F)cccc1[N+](=O)[O-] ZINC000600735259 342246143 /nfs/dbraw/zinc/24/61/43/342246143.db2.gz LNSQWMIWCIXYBY-UHFFFAOYSA-N 1 0 271.292 1.141 20 5 CDBDRO COC(=O)c1ccc(OC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000592162589 539083817 /nfs/dbraw/zinc/08/38/17/539083817.db2.gz ACJHZTVAPNTFQG-SECBINFHSA-N 1 0 280.280 1.370 20 5 CDBDRO C[C@H]1C[C@H](C)C[NH+](CCn2cnc([N+](=O)[O-])n2)C1 ZINC000594885521 342968448 /nfs/dbraw/zinc/96/84/48/342968448.db2.gz GVORJQSVHLIKIR-UWVGGRQHSA-N 1 0 253.306 1.164 20 5 CDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C/C=C/CO ZINC000595072261 343002659 /nfs/dbraw/zinc/00/26/59/343002659.db2.gz RCUFDQZRYYJFFJ-KXMPLOMGSA-N 1 0 293.323 1.450 20 5 CDBDRO C[N@@H+]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595290412 343024230 /nfs/dbraw/zinc/02/42/30/343024230.db2.gz BAHKJHDVNFSHJB-UHFFFAOYSA-N 1 0 267.304 1.871 20 5 CDBDRO [NH3+][C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000404533885 349774723 /nfs/dbraw/zinc/77/47/23/349774723.db2.gz YPTUREBSNWYSPI-NWDGAFQWSA-N 1 0 290.323 1.986 20 5 CDBDRO CC[N@H+](CCCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595329961 343036888 /nfs/dbraw/zinc/03/68/88/343036888.db2.gz FNTFKRSKDYSDPF-UHFFFAOYSA-N 1 0 256.277 1.938 20 5 CDBDRO COC(=O)[C@@]1(C)CCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595347860 343044503 /nfs/dbraw/zinc/04/45/03/343044503.db2.gz NXKWXKRKKTZWKN-LBPRGKRZSA-N 1 0 283.284 1.276 20 5 CDBDRO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1CO ZINC000595459333 343069803 /nfs/dbraw/zinc/06/98/03/343069803.db2.gz NHCGFLABYCRUEF-NOZJJQNGSA-N 1 0 268.288 1.937 20 5 CDBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000595767177 343146213 /nfs/dbraw/zinc/14/62/13/343146213.db2.gz WFWZGVWARYRYGD-ZYHUDNBSSA-N 1 0 250.298 1.940 20 5 CDBDRO COc1cc(C(=O)N[C@]2(C)CC[NH2+]C2)cc([N+](=O)[O-])c1C ZINC000595993619 343213724 /nfs/dbraw/zinc/21/37/24/343213724.db2.gz YMOCHFTUAHBTDB-CQSZACIVSA-N 1 0 293.323 1.394 20 5 CDBDRO O=[N+]([O-])c1sccc1NCCC[NH+]1CCC(O)CC1 ZINC000596085944 343220018 /nfs/dbraw/zinc/22/00/18/343220018.db2.gz PVBXRSBHYWGODV-UHFFFAOYSA-N 1 0 285.369 1.915 20 5 CDBDRO CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(C)(C)[NH3+] ZINC000595898221 343186305 /nfs/dbraw/zinc/18/63/05/343186305.db2.gz HVTGCAMSQQOBMY-UHFFFAOYSA-N 1 0 278.312 1.905 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CC1(C)C ZINC000595910230 343190016 /nfs/dbraw/zinc/19/00/16/343190016.db2.gz RXNOONWYBIVWEC-NSHDSACASA-N 1 0 279.340 1.734 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595920261 343191725 /nfs/dbraw/zinc/19/17/25/343191725.db2.gz PINNDNYOZRERSN-JOYOIKCWSA-N 1 0 265.313 1.770 20 5 CDBDRO O=c1[nH]ccc(N2CCC[C@@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000596112220 343230438 /nfs/dbraw/zinc/23/04/38/343230438.db2.gz JYPCCYSNAUNGMM-SNVBAGLBSA-N 1 0 289.295 1.733 20 5 CDBDRO CC[NH+](CC)[C@@H]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596141136 343241708 /nfs/dbraw/zinc/24/17/08/343241708.db2.gz GPSRJHLHAPIWHH-SNVBAGLBSA-N 1 0 280.328 1.616 20 5 CDBDRO CC(CO)(CO)CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000596244288 343285667 /nfs/dbraw/zinc/28/56/67/343285667.db2.gz NZQAEWZWWKHCNN-UHFFFAOYSA-N 1 0 291.307 1.546 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000596244761 343285890 /nfs/dbraw/zinc/28/58/90/343285890.db2.gz RIWBMLDEEKZIEG-KCJUWKMLSA-N 1 0 268.292 1.658 20 5 CDBDRO C[NH+](C)CC1CN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000596246479 343286053 /nfs/dbraw/zinc/28/60/53/343286053.db2.gz GBHGMULFONOGNF-UHFFFAOYSA-N 1 0 253.277 1.732 20 5 CDBDRO CN(CC[NH+]1CCCCC1)c1ccc(N)c([N+](=O)[O-])n1 ZINC000596295837 343290800 /nfs/dbraw/zinc/29/08/00/343290800.db2.gz OXUYWZQJFMBWKW-UHFFFAOYSA-N 1 0 279.344 1.494 20 5 CDBDRO Cc1nc(N2CC(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000596247564 343273815 /nfs/dbraw/zinc/27/38/15/343273815.db2.gz QYGDVOQLNOHTFJ-UHFFFAOYSA-N 1 0 250.302 1.296 20 5 CDBDRO C[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000092454811 342412527 /nfs/dbraw/zinc/41/25/27/342412527.db2.gz AGCXPXYEWKATHG-FUEXJSSKSA-N 1 0 261.325 1.902 20 5 CDBDRO C[N@@H+]1CC[C@@H](C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000535447848 282257833 /nfs/dbraw/zinc/25/78/33/282257833.db2.gz VTCCWUDYJLNUBG-GFCCVEGCSA-N 1 0 277.324 1.205 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000619578690 349810057 /nfs/dbraw/zinc/81/00/57/349810057.db2.gz MWYCZRSASSRAKT-JTQLQIEISA-N 1 0 281.312 1.744 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC12CCC[NH+]1CCC2 ZINC000597587792 343571831 /nfs/dbraw/zinc/57/18/31/343571831.db2.gz YBHAEDACDFQAKB-UHFFFAOYSA-N 1 0 292.339 1.292 20 5 CDBDRO CC(C)CC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304322853 349829904 /nfs/dbraw/zinc/82/99/04/349829904.db2.gz MNPLIVPMEUBXIN-LBPRGKRZSA-N 1 0 270.333 1.130 20 5 CDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000598342585 343770832 /nfs/dbraw/zinc/77/08/32/343770832.db2.gz LKIJVWFVWIBRQI-NSHDSACASA-N 1 0 277.324 1.809 20 5 CDBDRO CC1(C)CC[C@H](CO)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000598647477 343857021 /nfs/dbraw/zinc/85/70/21/343857021.db2.gz MXRLAUBHABWTER-LLVKDONJSA-N 1 0 282.344 1.274 20 5 CDBDRO COc1cc(C[NH2+][C@H]2C[C@H](OC)C2)c([N+](=O)[O-])cc1OC ZINC000599013968 343944154 /nfs/dbraw/zinc/94/41/54/343944154.db2.gz CRKZDEAHEWMWOG-XYPYZODXSA-N 1 0 296.323 1.879 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915166 343919665 /nfs/dbraw/zinc/91/96/65/343919665.db2.gz JCICPTCOTHYOKE-ZETCQYMHSA-N 1 0 270.264 1.545 20 5 CDBDRO O=[N+]([O-])c1cccc(C[N@@H+](CCCO)C2CC2)c1 ZINC000265445151 362255660 /nfs/dbraw/zinc/25/56/60/362255660.db2.gz RJBTXNJCJOONCN-UHFFFAOYSA-N 1 0 250.298 1.942 20 5 CDBDRO C[N@@H+]1CCCC[C@@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000599140580 343960057 /nfs/dbraw/zinc/96/00/57/343960057.db2.gz WBZSUBUIKDDPET-NSHDSACASA-N 1 0 264.329 1.556 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000602597839 344503658 /nfs/dbraw/zinc/50/36/58/344503658.db2.gz GMMSPGMZKJCSGR-AULYBMBSSA-N 1 0 291.351 1.771 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602497263 344441882 /nfs/dbraw/zinc/44/18/82/344441882.db2.gz SMHGUDILJNVOKK-RKDXNWHRSA-N 1 0 281.287 1.591 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602481435 344447707 /nfs/dbraw/zinc/44/77/07/344447707.db2.gz KESGYZFTKQKJKC-BDAKNGLRSA-N 1 0 281.287 1.543 20 5 CDBDRO CC[N@@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000273195034 192071709 /nfs/dbraw/zinc/07/17/09/192071709.db2.gz QLGWQKYFJARDFH-JTQLQIEISA-N 1 0 265.317 1.671 20 5 CDBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CCO1 ZINC000602577630 344473681 /nfs/dbraw/zinc/47/36/81/344473681.db2.gz UTHLQOPRDFDPTH-IUODEOHRSA-N 1 0 293.367 1.446 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCF)CC2)cn1 ZINC000602570207 344484941 /nfs/dbraw/zinc/48/49/41/344484941.db2.gz SPDZCFMWERXQKD-UHFFFAOYSA-N 1 0 282.319 1.908 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000602833393 344614511 /nfs/dbraw/zinc/61/45/11/344614511.db2.gz YRDGAZRLSBEZAM-ZDUSSCGKSA-N 1 0 295.387 1.372 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CO)C1CCCCC1 ZINC000602807302 344615821 /nfs/dbraw/zinc/61/58/21/344615821.db2.gz RNINNYZCOQURIG-ZDUSSCGKSA-N 1 0 296.371 1.631 20 5 CDBDRO COC[C@H]1CCCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602812259 344604312 /nfs/dbraw/zinc/60/43/12/344604312.db2.gz OXRAQXFIBMAMCQ-ZDUSSCGKSA-N 1 0 296.371 1.848 20 5 CDBDRO CO[C@]1(C)CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602819398 344608572 /nfs/dbraw/zinc/60/85/72/344608572.db2.gz AUBVXNOIPNCFTF-CYBMUJFWSA-N 1 0 282.344 1.601 20 5 CDBDRO CCOc1cc(C[NH2+][C@](C)(CO)COC)ccc1[N+](=O)[O-] ZINC000602931692 344662715 /nfs/dbraw/zinc/66/27/15/344662715.db2.gz JBAKSPYWPGMHPY-CQSZACIVSA-N 1 0 298.339 1.481 20 5 CDBDRO CO[C@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CC1(C)C ZINC000602842203 344622194 /nfs/dbraw/zinc/62/21/94/344622194.db2.gz QTWSZLJWUPZDLQ-LBPRGKRZSA-N 1 0 296.371 1.847 20 5 CDBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000603432407 344803772 /nfs/dbraw/zinc/80/37/72/344803772.db2.gz IFMGGUJGVBRMMV-RYUDHWBXSA-N 1 0 267.304 1.949 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000313517705 344907433 /nfs/dbraw/zinc/90/74/33/344907433.db2.gz NMGPXUAGOAGSOP-TVQRCGJNSA-N 1 0 283.303 1.282 20 5 CDBDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CO1 ZINC000402350648 344947418 /nfs/dbraw/zinc/94/74/18/344947418.db2.gz ZKUUIBAINNYQCA-ZYHUDNBSSA-N 1 0 250.298 1.904 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000129205866 345274994 /nfs/dbraw/zinc/27/49/94/345274994.db2.gz GKLRTLPEKCZUDD-KCJUWKMLSA-N 1 0 281.287 1.686 20 5 CDBDRO CC1=CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273262096 192091991 /nfs/dbraw/zinc/09/19/91/192091991.db2.gz ZJQVCFXLLVBDTG-ZDUSSCGKSA-N 1 0 292.335 1.987 20 5 CDBDRO C[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000617698468 345921036 /nfs/dbraw/zinc/92/10/36/345921036.db2.gz XJSKLKBSMRGKFE-MNOVXSKESA-N 1 0 279.340 1.765 20 5 CDBDRO CC(C)(C)C[N@H+](CCO)CCn1ccc([N+](=O)[O-])n1 ZINC000610485044 346290762 /nfs/dbraw/zinc/29/07/62/346290762.db2.gz FLKUEERGQWJROL-UHFFFAOYSA-N 1 0 270.333 1.132 20 5 CDBDRO O=[N+]([O-])c1cccc(N2CC[NH+]([C@H]3CCCOC3)CC2)c1 ZINC000610569991 346314744 /nfs/dbraw/zinc/31/47/44/346314744.db2.gz LUNVAJJHSKIBBV-HNNXBMFYSA-N 1 0 291.351 1.896 20 5 CDBDRO C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000086469315 362712440 /nfs/dbraw/zinc/71/24/40/362712440.db2.gz AHOWYZYMQWBRQJ-NEPJUHHUSA-N 1 0 263.341 1.820 20 5 CDBDRO C[NH+](C)C[C@@](C)(O)CNc1sccc1[N+](=O)[O-] ZINC000611414771 346781591 /nfs/dbraw/zinc/78/15/91/346781591.db2.gz XYRQRFVPXYXVOQ-JTQLQIEISA-N 1 0 259.331 1.381 20 5 CDBDRO [NH3+]C1(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCC1 ZINC000230065477 140206775 /nfs/dbraw/zinc/20/67/75/140206775.db2.gz AOUGBEVDNAFXCI-UHFFFAOYSA-N 1 0 283.715 1.859 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000614711729 348199874 /nfs/dbraw/zinc/19/98/74/348199874.db2.gz NQFLCNIWTXVJAZ-RKDXNWHRSA-N 1 0 267.285 1.400 20 5 CDBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000104127810 185901154 /nfs/dbraw/zinc/90/11/54/185901154.db2.gz XYDOIZWBENBQRX-MRVPVSSYSA-N 1 0 283.353 1.856 20 5 CDBDRO C[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000057707832 348844111 /nfs/dbraw/zinc/84/41/11/348844111.db2.gz ZXAPOCYFHJLCIX-MRVPVSSYSA-N 1 0 283.353 1.869 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000063704481 348929056 /nfs/dbraw/zinc/92/90/56/348929056.db2.gz LKRAFGDKOJSTAV-LLVKDONJSA-N 1 0 289.335 1.870 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)C1CC1 ZINC000067282735 349020132 /nfs/dbraw/zinc/02/01/32/349020132.db2.gz BIXZSDPBRRRYST-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO COc1ccc(NC(=O)[C@H](C)[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000383013713 362937234 /nfs/dbraw/zinc/93/72/34/362937234.db2.gz FDRMJEORFSJQIO-QMMMGPOBSA-N 1 0 279.296 1.682 20 5 CDBDRO O=C([C@H]1CCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000073783365 350024064 /nfs/dbraw/zinc/02/40/64/350024064.db2.gz AHSBAMSMYCIYNP-LLVKDONJSA-N 1 0 261.281 1.236 20 5 CDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[NH3+] ZINC000159981886 362948217 /nfs/dbraw/zinc/94/82/17/362948217.db2.gz SZASKCSZJCSZKZ-VIFPVBQESA-N 1 0 297.380 1.929 20 5 CDBDRO C[C@H]([NH2+]CC1(CO)COC1)c1ccc([N+](=O)[O-])cc1 ZINC000090644505 180018001 /nfs/dbraw/zinc/01/80/01/180018001.db2.gz OJQWGEYBGCRZAH-JTQLQIEISA-N 1 0 266.297 1.254 20 5 CDBDRO CCc1nn(C)c(NC[C@@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000091562298 180192526 /nfs/dbraw/zinc/19/25/26/180192526.db2.gz UIGPKEPIELIIGF-VIFPVBQESA-N 1 0 267.333 1.254 20 5 CDBDRO CC(C)(O)[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000136253774 362953312 /nfs/dbraw/zinc/95/33/12/362953312.db2.gz OPKOEAFAMYJBED-LLVKDONJSA-N 1 0 268.317 1.027 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000382439719 362960181 /nfs/dbraw/zinc/96/01/81/362960181.db2.gz ZKHFNAMBIXDFHZ-BJLPKZDCSA-N 1 0 289.335 1.852 20 5 CDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000110796582 186325830 /nfs/dbraw/zinc/32/58/30/186325830.db2.gz GVWAXHFKZTXCLJ-VIFPVBQESA-N 1 0 281.287 1.463 20 5 CDBDRO COc1ccc(C[N@H+](C)C[C@@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000079767477 350965384 /nfs/dbraw/zinc/96/53/84/350965384.db2.gz ODRJBRJIEAFHPP-CYBMUJFWSA-N 1 0 280.324 1.806 20 5 CDBDRO Cc1cc(N2CC[NH+](C(C)(C)CO)CC2)ccc1[N+](=O)[O-] ZINC000080983196 351120978 /nfs/dbraw/zinc/12/09/78/351120978.db2.gz FEYWCVVDLQENKH-UHFFFAOYSA-N 1 0 293.367 1.796 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000156095025 351451325 /nfs/dbraw/zinc/45/13/25/351451325.db2.gz BISMEZJZZVGOIY-UWVGGRQHSA-N 1 0 278.312 1.938 20 5 CDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000122836698 187054635 /nfs/dbraw/zinc/05/46/35/187054635.db2.gz MNKJGVBVUBKNFC-JTQLQIEISA-N 1 0 295.343 1.122 20 5 CDBDRO CC(C)(C[NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000122972196 187063482 /nfs/dbraw/zinc/06/34/82/187063482.db2.gz LIWZOENBOORJAY-UHFFFAOYSA-N 1 0 251.286 1.196 20 5 CDBDRO C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000135221885 187808141 /nfs/dbraw/zinc/80/81/41/187808141.db2.gz UFSJIIKTFRFDLS-WCQYABFASA-N 1 0 291.351 1.642 20 5 CDBDRO [NH3+]C[C@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000135220656 187808240 /nfs/dbraw/zinc/80/82/40/187808240.db2.gz FBTJWLZPUOBFRT-GFCCVEGCSA-N 1 0 277.324 1.335 20 5 CDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])s3)C2)C1 ZINC000292364604 198259682 /nfs/dbraw/zinc/25/96/82/198259682.db2.gz WHUMXYXTWWLBPW-ZDUSSCGKSA-N 1 0 295.364 1.824 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000156531523 188267581 /nfs/dbraw/zinc/26/75/81/188267581.db2.gz VSABYORZYZVGTA-ONGXEEELSA-N 1 0 292.339 1.376 20 5 CDBDRO COc1cc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000156729864 188278146 /nfs/dbraw/zinc/27/81/46/188278146.db2.gz BXBMEKWOQITRPC-QWRGUYRKSA-N 1 0 293.323 1.461 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000156868938 188285326 /nfs/dbraw/zinc/28/53/26/188285326.db2.gz OJGGBSFJHFLBAJ-IUCAKERBSA-N 1 0 251.286 1.194 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000157267224 188307221 /nfs/dbraw/zinc/30/72/21/188307221.db2.gz INRATGJCFDDHQX-UHFFFAOYSA-N 1 0 280.328 1.249 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000157615435 188327703 /nfs/dbraw/zinc/32/77/03/188327703.db2.gz BMCHFMNGHKHDQV-TZMCWYRMSA-N 1 0 291.351 1.771 20 5 CDBDRO Cc1ccc(C(=O)NCC[N@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000280253288 363229860 /nfs/dbraw/zinc/22/98/60/363229860.db2.gz NWMSDNMWYRYFKN-UHFFFAOYSA-N 1 0 289.335 1.895 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135429488 358479287 /nfs/dbraw/zinc/47/92/87/358479287.db2.gz WKMSGJNXKOSJEQ-IUCAKERBSA-N 1 0 281.287 1.543 20 5 CDBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1[NH+](C)C ZINC000271775275 191317995 /nfs/dbraw/zinc/31/79/95/191317995.db2.gz JEELEONGFKZUHK-PSASIEDQSA-N 1 0 299.352 1.305 20 5 CDBDRO C[C@]1(CNC(=O)c2cccc([N+](=O)[O-])c2N)CCC[NH2+]C1 ZINC000272967475 192000631 /nfs/dbraw/zinc/00/06/31/192000631.db2.gz GUHZATWTRHPFGT-AWEZNQCLSA-N 1 0 292.339 1.297 20 5 CDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000273021408 192020898 /nfs/dbraw/zinc/02/08/98/192020898.db2.gz UAMAWJHYRMAOIL-LLVKDONJSA-N 1 0 289.335 1.975 20 5 CDBDRO CCCCC[N@H+](CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000174863232 188921593 /nfs/dbraw/zinc/92/15/93/188921593.db2.gz NVQPKVVGAGWJCI-UHFFFAOYSA-N 1 0 270.333 1.276 20 5 CDBDRO C[C@H](CCCC[NH3+])NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000336789301 356261705 /nfs/dbraw/zinc/26/17/05/356261705.db2.gz ITTBKCDLHYKGQN-MRVPVSSYSA-N 1 0 254.290 1.170 20 5 CDBDRO CC(C)[NH+](CCCNC(=O)c1cc([N+](=O)[O-])n[nH]1)C(C)C ZINC000286356621 356265522 /nfs/dbraw/zinc/26/55/22/356265522.db2.gz ZMEHQACTZULXSG-UHFFFAOYSA-N 1 0 297.359 1.557 20 5 CDBDRO COc1ccc(C[NH2+]C[C@H]2COCCO2)cc1[N+](=O)[O-] ZINC000038062011 356352516 /nfs/dbraw/zinc/35/25/16/356352516.db2.gz WEFMHAGELYGBRA-NSHDSACASA-N 1 0 282.296 1.108 20 5 CDBDRO CCOC(=O)c1ccnc(N[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000286536427 356956631 /nfs/dbraw/zinc/95/66/31/356956631.db2.gz VIFDKDGFDAIPOU-VIFPVBQESA-N 1 0 296.327 1.529 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])o1 ZINC000046993269 357151123 /nfs/dbraw/zinc/15/11/23/357151123.db2.gz ZMEXEXMKQZDPNA-VHSXEESVSA-N 1 0 279.296 1.544 20 5 CDBDRO C[N@H+](C[C@H](O)COc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000290537610 357212840 /nfs/dbraw/zinc/21/28/40/357212840.db2.gz DUGIZKAYXQJTFZ-NSHDSACASA-N 1 0 284.287 1.568 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(=O)n1CCC[NH+]1CCCCC1 ZINC000341400650 357258892 /nfs/dbraw/zinc/25/88/92/357258892.db2.gz QTOGREQOFOTZMR-UHFFFAOYSA-N 1 0 279.340 1.941 20 5 CDBDRO COCC[N@@H+]1CC[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000264559488 357379207 /nfs/dbraw/zinc/37/92/07/357379207.db2.gz FFHVUFWKRVPDQT-LLVKDONJSA-N 1 0 265.313 1.727 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000185197682 357520267 /nfs/dbraw/zinc/52/02/67/357520267.db2.gz AZJPNALJTAIQQA-LERXQTSPSA-N 1 0 289.335 1.713 20 5 CDBDRO O=[N+]([O-])c1cc(CN2C[C@@H](O)C[C@H]2CO)ccc1Cl ZINC000186514534 357657399 /nfs/dbraw/zinc/65/73/99/357657399.db2.gz JCBYUQALCZKRDP-UWVGGRQHSA-N 1 0 286.715 1.176 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135238093 357802594 /nfs/dbraw/zinc/80/25/94/357802594.db2.gz OVUBLULLJZRRNV-LBPRGKRZSA-N 1 0 265.313 1.237 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000188833760 357943028 /nfs/dbraw/zinc/94/30/28/357943028.db2.gz STNINQOWCIWBDE-ZYHUDNBSSA-N 1 0 250.298 1.845 20 5 CDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000287094975 358095409 /nfs/dbraw/zinc/09/54/09/358095409.db2.gz LCLQMWPWTPFCDK-JQWIXIFHSA-N 1 0 292.339 1.622 20 5 CDBDRO C[C@H](NCc1cnnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000287186544 358157296 /nfs/dbraw/zinc/15/72/96/358157296.db2.gz KRHKWQFCPPKPQY-VIFPVBQESA-N 1 0 261.285 1.574 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000192513720 358211138 /nfs/dbraw/zinc/21/11/38/358211138.db2.gz PALOUHNLQWHXTG-BETUJISGSA-N 1 0 289.335 1.537 20 5 CDBDRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296723805 283361378 /nfs/dbraw/zinc/36/13/78/283361378.db2.gz NFEOJHVRCQOJBQ-DTWKUNHWSA-N 1 0 294.311 1.090 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000422730662 535428089 /nfs/dbraw/zinc/42/80/89/535428089.db2.gz MNOWKFISJQTRTQ-SNVBAGLBSA-N 1 0 293.323 1.475 20 5 CDBDRO Cc1cc(NC[C@@H](C)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000264840917 358723257 /nfs/dbraw/zinc/72/32/57/358723257.db2.gz JVHFGMZGFIQGRD-CYBMUJFWSA-N 1 0 292.383 1.951 20 5 CDBDRO COCC[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000051624869 358944894 /nfs/dbraw/zinc/94/48/94/358944894.db2.gz AIRRYLVQBOIHBA-UHFFFAOYSA-N 1 0 293.367 1.667 20 5 CDBDRO COC[C@H](O)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539060756 358950322 /nfs/dbraw/zinc/95/03/22/358950322.db2.gz QUHMIVJMDANMTL-DGCLKSJQSA-N 1 0 282.340 1.951 20 5 CDBDRO C[C@H]([NH2+]CCN1CCCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000451107176 359035626 /nfs/dbraw/zinc/03/56/26/359035626.db2.gz YKTOQKFOFIPIFR-ZDUSSCGKSA-N 1 0 293.367 1.968 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132636108 358992431 /nfs/dbraw/zinc/99/24/31/358992431.db2.gz RMCFHQNMQYCEAQ-JTQLQIEISA-N 1 0 267.260 1.216 20 5 CDBDRO O=C(CC1CC[NH2+]CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000150845274 359070404 /nfs/dbraw/zinc/07/04/04/359070404.db2.gz NQFAMWOTANZMSA-UHFFFAOYSA-N 1 0 289.335 1.874 20 5 CDBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])[nH]1)C(C)C ZINC000338814138 359172200 /nfs/dbraw/zinc/17/22/00/359172200.db2.gz NEXAXJYWZVUQHO-UHFFFAOYSA-N 1 0 268.317 1.383 20 5 CDBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000050162588 359352525 /nfs/dbraw/zinc/35/25/25/359352525.db2.gz VOJWTCUKGODAEZ-AAEUAGOBSA-N 1 0 291.351 1.642 20 5 CDBDRO C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)[NH+]1C ZINC000339620065 359418050 /nfs/dbraw/zinc/41/80/50/359418050.db2.gz SUKGVWUBWSWTSP-CHWSQXEVSA-N 1 0 293.367 1.998 20 5 CDBDRO CN(C)C(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963805 359530187 /nfs/dbraw/zinc/53/01/87/359530187.db2.gz YSMLLUJQIQWOGZ-UHFFFAOYSA-N 1 0 285.731 1.816 20 5 CDBDRO C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000050162585 359599589 /nfs/dbraw/zinc/59/95/89/359599589.db2.gz AFMAXSQRCHZTNB-YPMHNXCESA-N 1 0 291.351 1.642 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000089106500 283463069 /nfs/dbraw/zinc/46/30/69/283463069.db2.gz QDFVECZKLCOGGH-AAEUAGOBSA-N 1 0 277.324 1.842 20 5 CDBDRO Cc1nc(N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000297359058 200161092 /nfs/dbraw/zinc/16/10/92/200161092.db2.gz BWFBKXVUNCMXPN-MWLCHTKSSA-N 1 0 279.344 1.470 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H]([NH3+])c1ccccc1 ZINC000062838481 360004159 /nfs/dbraw/zinc/00/41/59/360004159.db2.gz JJBVVRGSMWBVOE-JTQLQIEISA-N 1 0 261.285 1.440 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000237918917 360137018 /nfs/dbraw/zinc/13/70/18/360137018.db2.gz JSKIVBVPWUBROS-QWHCGFSZSA-N 1 0 292.339 1.250 20 5 CDBDRO COC[C@]1(CO)CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000451924147 360233946 /nfs/dbraw/zinc/23/39/46/360233946.db2.gz IGUIILSKDAPSHA-IUODEOHRSA-N 1 0 294.351 1.987 20 5 CDBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000177870909 189075426 /nfs/dbraw/zinc/07/54/26/189075426.db2.gz HDCCITJMKFEXKL-VHSXEESVSA-N 1 0 277.324 1.924 20 5 CDBDRO C[NH+]1CCC(NC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000600964567 360564178 /nfs/dbraw/zinc/56/41/78/360564178.db2.gz QUVVUHVHSJBUOP-UHFFFAOYSA-N 1 0 281.287 1.558 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000147902967 360730945 /nfs/dbraw/zinc/73/09/45/360730945.db2.gz RNLXNLJFPPHDMT-SECBINFHSA-N 1 0 283.715 1.682 20 5 CDBDRO CC1(C)CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544700360 360801193 /nfs/dbraw/zinc/80/11/93/360801193.db2.gz OPYASWWCJCGSKA-LLVKDONJSA-N 1 0 280.324 1.819 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NCC(C)(C)C[NH+](C)C ZINC000035121775 361265384 /nfs/dbraw/zinc/26/53/84/361265384.db2.gz ILUUMZGLXFSWSV-UHFFFAOYSA-N 1 0 255.322 1.328 20 5 CDBDRO CC(C)[N@@H+]1CCCC[C@H]1Cn1cnc([N+](=O)[O-])n1 ZINC000339114883 361297651 /nfs/dbraw/zinc/29/76/51/361297651.db2.gz IABUGXYXXSWNJK-JTQLQIEISA-N 1 0 253.306 1.449 20 5 CDBDRO Cc1c(NC(=O)CCN(C)C2C[NH2+]C2)cccc1[N+](=O)[O-] ZINC000357090142 366754494 /nfs/dbraw/zinc/75/44/94/366754494.db2.gz RALPNZBJVOGZAX-UHFFFAOYSA-N 1 0 292.339 1.135 20 5 CDBDRO [NH3+][C@@H](CC(F)F)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000345693778 361399371 /nfs/dbraw/zinc/39/93/71/361399371.db2.gz OTIIVIYQBJEIDU-VIFPVBQESA-N 1 0 287.266 1.236 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000580422060 363906490 /nfs/dbraw/zinc/90/64/90/363906490.db2.gz ZEJUDJKENBNWCY-AWEZNQCLSA-N 1 0 293.323 1.461 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000237440978 363998584 /nfs/dbraw/zinc/99/85/84/363998584.db2.gz CATDVNVYWYIHEL-ONGXEEELSA-N 1 0 292.339 1.519 20 5 CDBDRO C[NH+](C)CCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149087222 364676622 /nfs/dbraw/zinc/67/66/22/364676622.db2.gz AZLJGUXYBHORAH-UHFFFAOYSA-N 1 0 285.731 1.930 20 5 CDBDRO CC[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365520667 364728755 /nfs/dbraw/zinc/72/87/55/364728755.db2.gz YSVYFYKWMRDNCV-LLVKDONJSA-N 1 0 268.317 1.199 20 5 CDBDRO COc1ccc(OCC[N@@H+]2C[C@H](O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000340934662 364752517 /nfs/dbraw/zinc/75/25/17/364752517.db2.gz WPRPKBAFPXTJNQ-GHMZBOCLSA-N 1 0 296.323 1.437 20 5 CDBDRO C[NH+](C)CCOCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000345927986 364962303 /nfs/dbraw/zinc/96/23/03/364962303.db2.gz IMHHECQPNSFRHF-UHFFFAOYSA-N 1 0 299.302 1.042 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](c3cccnc3)C2)n1 ZINC000564208605 365406116 /nfs/dbraw/zinc/40/61/16/365406116.db2.gz MHMHENREKSMFMY-CYBMUJFWSA-N 1 0 287.323 1.676 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000414659023 241305359 /nfs/dbraw/zinc/30/53/59/241305359.db2.gz MFUIVGTVCNDVRN-NSHDSACASA-N 1 0 294.311 1.013 20 5 CDBDRO Cc1ccc(NC(=O)N[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000414656708 241305704 /nfs/dbraw/zinc/30/57/04/241305704.db2.gz JAMOKNDIYSENGH-MRVPVSSYSA-N 1 0 252.274 1.372 20 5 CDBDRO Cc1ccc(NC(=O)N(C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000414665771 241311381 /nfs/dbraw/zinc/31/13/81/241311381.db2.gz VJBFQCBLRLGFFO-UHFFFAOYSA-N 1 0 264.285 1.339 20 5 CDBDRO Cc1c(NC(=O)NCC2=CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000414718815 241351599 /nfs/dbraw/zinc/35/15/99/241351599.db2.gz ZSCLXPMWSCLGKF-UHFFFAOYSA-N 1 0 290.323 1.944 20 5 CDBDRO O=[N+]([O-])c1cc(CNC[C@@H]2CCC[NH2+]C2)cs1 ZINC000414826406 241404696 /nfs/dbraw/zinc/40/46/96/241404696.db2.gz ITRQBQSTAZHOGX-SECBINFHSA-N 1 0 255.343 1.746 20 5 CDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415627779 241731791 /nfs/dbraw/zinc/73/17/91/241731791.db2.gz COYZWPDCCZDHOM-VIFPVBQESA-N 1 0 296.302 1.855 20 5 CDBDRO C[C@@H](NC(=O)N1CCC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417127585 242330206 /nfs/dbraw/zinc/33/02/06/242330206.db2.gz GFYVORFLKWNROR-ZYHUDNBSSA-N 1 0 292.339 1.789 20 5 CDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272628266 367783685 /nfs/dbraw/zinc/78/36/85/367783685.db2.gz MVDAFGKHMWGCSU-SMDDNHRTSA-N 1 0 289.335 1.761 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+]CCc2ncn(C)n2)cc1[N+](=O)[O-] ZINC000148685967 368539629 /nfs/dbraw/zinc/53/96/29/368539629.db2.gz WIRRMZYUXPNTRI-NSHDSACASA-N 1 0 289.339 1.925 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000418735980 243389584 /nfs/dbraw/zinc/38/95/84/243389584.db2.gz UFELBEVCXTUWDR-GFCCVEGCSA-N 1 0 294.355 1.516 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(C(F)F)CC2)n1 ZINC000361694573 368986542 /nfs/dbraw/zinc/98/65/42/368986542.db2.gz ZATGHQFUSIJSGX-UHFFFAOYSA-N 1 0 274.271 1.768 20 5 CDBDRO C[C@@H]1[C@@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000420613695 244280295 /nfs/dbraw/zinc/28/02/95/244280295.db2.gz SMELXBACSPNITA-KOLCDFICSA-N 1 0 292.339 1.588 20 5 CDBDRO C[C@@H](NC[C@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330880540 203345571 /nfs/dbraw/zinc/34/55/71/203345571.db2.gz NCKRDGUDIFNKJJ-BXUZGUMPSA-N 1 0 279.340 1.312 20 5 CDBDRO C[C@H](NC[C@@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330880541 203346899 /nfs/dbraw/zinc/34/68/99/203346899.db2.gz NCKRDGUDIFNKJJ-FZMZJTMJSA-N 1 0 279.340 1.312 20 5 CDBDRO COCCC[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000299271048 369715434 /nfs/dbraw/zinc/71/54/34/369715434.db2.gz NWZNHQLSMZDDGO-UHFFFAOYSA-N 1 0 296.323 1.930 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000295237057 369731612 /nfs/dbraw/zinc/73/16/12/369731612.db2.gz OOZYQSLKCMSYAT-QMMMGPOBSA-N 1 0 266.301 1.034 20 5 CDBDRO CC(C)NC(=O)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668579 369785017 /nfs/dbraw/zinc/78/50/17/369785017.db2.gz SPIJCBVIGAPDJO-JTQLQIEISA-N 1 0 265.313 1.598 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000037669448 369786094 /nfs/dbraw/zinc/78/60/94/369786094.db2.gz VHZCUSZMPUAXDV-UHFFFAOYSA-N 1 0 283.303 1.806 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000161315076 369881413 /nfs/dbraw/zinc/88/14/13/369881413.db2.gz LQCBDZFRGZWTPH-QWRGUYRKSA-N 1 0 293.323 1.360 20 5 CDBDRO CC[C@H](O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000421874228 244869366 /nfs/dbraw/zinc/86/93/66/244869366.db2.gz IOHCGQXJWWBRQT-JQWIXIFHSA-N 1 0 252.314 1.886 20 5 CDBDRO COCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000295622132 370524702 /nfs/dbraw/zinc/52/47/02/370524702.db2.gz WLUMYRGSZOMYCZ-UHFFFAOYSA-N 1 0 295.343 1.216 20 5 CDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])n1 ZINC000422855385 245336998 /nfs/dbraw/zinc/33/69/98/245336998.db2.gz VIYLKNRRVOOBJL-NXEZZACHSA-N 1 0 295.343 1.011 20 5 CDBDRO CN1CC[NH2+]C[C@H]1CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414971847 371196927 /nfs/dbraw/zinc/19/69/27/371196927.db2.gz WXDVRRHDOKNZFC-YVARQFDVSA-N 1 0 290.367 1.101 20 5 CDBDRO COc1cccc(C(=O)N(C)CC(C)(C)C[NH3+])c1[N+](=O)[O-] ZINC000422893286 245376958 /nfs/dbraw/zinc/37/69/58/245376958.db2.gz PWEIBQKXGZUXGD-UHFFFAOYSA-N 1 0 295.339 1.660 20 5 CDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(F)cc1[N+](=O)[O-] ZINC000368192053 371880524 /nfs/dbraw/zinc/88/05/24/371880524.db2.gz DSPDBCLGPQTYBI-IUCAKERBSA-N 1 0 285.250 1.164 20 5 CDBDRO C[C@H](C[C@@H]1COCCN1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000133889595 372999378 /nfs/dbraw/zinc/99/93/78/372999378.db2.gz JTDKSDUMBGFAJS-TZMCWYRMSA-N 1 0 293.367 1.494 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000192927038 373640702 /nfs/dbraw/zinc/64/07/02/373640702.db2.gz YMJBDJFAANCYIU-PHIMTYICSA-N 1 0 279.344 1.117 20 5 CDBDRO O=[N+]([O-])c1ccn(CCN2CCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000368405269 373838017 /nfs/dbraw/zinc/83/80/17/373838017.db2.gz QPVAUPRDYMYEDB-ZDUSSCGKSA-N 1 0 293.371 1.352 20 5 CDBDRO C[C@H](NC(=O)N[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000418234990 374258873 /nfs/dbraw/zinc/25/88/73/374258873.db2.gz RJHRNBFBBZXALH-JQWIXIFHSA-N 1 0 292.339 1.707 20 5 CDBDRO C[NH+](C)CCCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000298917287 374260774 /nfs/dbraw/zinc/26/07/74/374260774.db2.gz BADDOUYCTMHLKY-UHFFFAOYSA-N 1 0 290.323 1.758 20 5 CDBDRO O=[N+]([O-])c1cc2ccccc2nc1NC[C@H]1CCC[NH2+]1 ZINC000420166942 374290665 /nfs/dbraw/zinc/29/06/65/374290665.db2.gz QPYKRPXSQHHZRW-LLVKDONJSA-N 1 0 272.308 1.729 20 5 CDBDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000420945766 374308814 /nfs/dbraw/zinc/30/88/14/374308814.db2.gz SCEVYVBIPCOQBI-WDEREUQCSA-N 1 0 280.324 1.751 20 5 CDBDRO CC1(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C[NH2+]C1 ZINC000423833177 246127114 /nfs/dbraw/zinc/12/71/14/246127114.db2.gz AXDOKCQBFHGWKP-UHFFFAOYSA-N 1 0 283.715 1.474 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)C[NH3+] ZINC000423448819 374381994 /nfs/dbraw/zinc/38/19/94/374381994.db2.gz FOTRZUPFARQIQP-MRVPVSSYSA-N 1 0 251.286 1.228 20 5 CDBDRO Cc1c([C@H](C)NC[C@@H]2C[NH2+]CCN2C)cccc1[N+](=O)[O-] ZINC000423502772 374385636 /nfs/dbraw/zinc/38/56/36/374385636.db2.gz FIWQFWVJZCOYKC-STQMWFEESA-N 1 0 292.383 1.457 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[NH2+]1 ZINC000423850534 246144638 /nfs/dbraw/zinc/14/46/38/246144638.db2.gz QVIJPGMFVBWWCC-NSHDSACASA-N 1 0 283.715 1.616 20 5 CDBDRO O=[N+]([O-])c1ccc(CN(C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000347183350 374415360 /nfs/dbraw/zinc/41/53/60/374415360.db2.gz WOMQNKMETAKXAO-AWEZNQCLSA-N 1 0 261.325 1.921 20 5 CDBDRO Cc1nn(C)c(N2CCC3(CCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000374989337 374493751 /nfs/dbraw/zinc/49/37/51/374493751.db2.gz QAJSWEVWSVENCL-UHFFFAOYSA-N 1 0 293.371 1.701 20 5 CDBDRO Cc1ccnc(N2C[C@@H](C)[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000070495726 374664288 /nfs/dbraw/zinc/66/42/88/374664288.db2.gz DUWSNCOAKIUBJX-AOOOYVTPSA-N 1 0 250.302 1.485 20 5 CDBDRO Cc1ccnc(NC[C@@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC000070496555 374664501 /nfs/dbraw/zinc/66/45/01/374664501.db2.gz BBYPTXXBZVUUSN-JTQLQIEISA-N 1 0 250.302 1.852 20 5 CDBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000276952940 374762878 /nfs/dbraw/zinc/76/28/78/374762878.db2.gz UQBHVEPLCNLPMW-GFCCVEGCSA-N 1 0 280.324 1.950 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000124557149 374822730 /nfs/dbraw/zinc/82/27/30/374822730.db2.gz JAAMSAQRIFWGDW-UHFFFAOYSA-N 1 0 265.313 1.585 20 5 CDBDRO C[C@H](Cn1cc(Br)c([N+](=O)[O-])n1)[NH+](C)C ZINC000331085069 374887610 /nfs/dbraw/zinc/88/76/10/374887610.db2.gz OHYKPQFYASQJOE-ZCFIWIBFSA-N 1 0 277.122 1.504 20 5 CDBDRO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094775830 374845105 /nfs/dbraw/zinc/84/51/05/374845105.db2.gz FGLGROIJBBDQMS-SECBINFHSA-N 1 0 284.287 1.975 20 5 CDBDRO CN(CC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000330510011 374859994 /nfs/dbraw/zinc/85/99/94/374859994.db2.gz BGRDKNHHTCGZLW-UHFFFAOYSA-N 1 0 267.285 1.356 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCC[N@H+]1CC=CCC1 ZINC000279956098 374978953 /nfs/dbraw/zinc/97/89/53/374978953.db2.gz IPGUZGQYVXQUHH-UHFFFAOYSA-N 1 0 289.335 1.515 20 5 CDBDRO Cc1n[nH]c(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299445557 375171717 /nfs/dbraw/zinc/17/17/17/375171717.db2.gz NAPBSOXSDNJKNI-SECBINFHSA-N 1 0 295.343 1.088 20 5 CDBDRO Cc1cc(NC(=O)N[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000350786540 375242759 /nfs/dbraw/zinc/24/27/59/375242759.db2.gz MWWDCKJHDHGUJM-JTQLQIEISA-N 1 0 280.328 1.975 20 5 CDBDRO COc1cc(C(=O)NC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000299656279 375192116 /nfs/dbraw/zinc/19/21/16/375192116.db2.gz YHJHKWHVMBKGAL-SECBINFHSA-N 1 0 281.312 1.283 20 5 CDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC1(O)CCOCC1 ZINC000162243756 375299929 /nfs/dbraw/zinc/29/99/29/375299929.db2.gz AZGMQONLYMSKSO-UHFFFAOYSA-N 1 0 294.351 1.611 20 5 CDBDRO C[C@@H]1CC[C@H]([N@H+](CCO)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000351633793 375314317 /nfs/dbraw/zinc/31/43/17/375314317.db2.gz MGEOIMVQACVBCS-NEPJUHHUSA-N 1 0 282.344 1.274 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+](C)C2)n1 ZINC000162599589 375389542 /nfs/dbraw/zinc/38/95/42/375389542.db2.gz TWACMDMGOGWCLY-JTQLQIEISA-N 1 0 250.302 1.662 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000237819488 375591567 /nfs/dbraw/zinc/59/15/67/375591567.db2.gz CQVVMWATLAPMIO-GHMZBOCLSA-N 1 0 293.323 1.217 20 5 CDBDRO C[C@@H](NC[C@@H](O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000305150280 375559596 /nfs/dbraw/zinc/55/95/96/375559596.db2.gz TWQHZTYIROBAAP-ZWNOBZJWSA-N 1 0 267.329 1.168 20 5 CDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000353159213 375582473 /nfs/dbraw/zinc/58/24/73/375582473.db2.gz XLMIWYNIDSILSQ-WDEREUQCSA-N 1 0 286.353 1.940 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000132949091 375645751 /nfs/dbraw/zinc/64/57/51/375645751.db2.gz NKTIYBYLESGNCU-CYBMUJFWSA-N 1 0 291.351 1.738 20 5 CDBDRO C[C@H](C[C@H](C)O)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000228112950 375694796 /nfs/dbraw/zinc/69/47/96/375694796.db2.gz IDONEMHABWULMQ-MNOVXSKESA-N 1 0 252.314 1.886 20 5 CDBDRO Cc1cc(N(C)CCO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228441919 375762032 /nfs/dbraw/zinc/76/20/32/375762032.db2.gz RRSHKOXHHCVUOT-UHFFFAOYSA-N 1 0 261.281 1.880 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCCS2(=O)=O)cc1 ZINC000134081952 375903619 /nfs/dbraw/zinc/90/36/19/375903619.db2.gz HLKLAMIKXJCZQR-CYBMUJFWSA-N 1 0 298.364 1.304 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347433883 376143761 /nfs/dbraw/zinc/14/37/61/376143761.db2.gz RHSTZSYKLFYDQQ-SNVBAGLBSA-N 1 0 287.323 1.466 20 5 CDBDRO C[NH2+]CCCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000430500982 247628850 /nfs/dbraw/zinc/62/88/50/247628850.db2.gz FUPKBHOGJDGNQF-UHFFFAOYSA-N 1 0 277.324 1.479 20 5 CDBDRO CC[N@@H+]1CC[C@@H](N(C)c2c([N+](=O)[O-])ncn2C)C[C@H]1C ZINC000354354673 376328181 /nfs/dbraw/zinc/32/81/81/376328181.db2.gz VJCWINZSZZDHMN-GHMZBOCLSA-N 1 0 281.360 1.637 20 5 CDBDRO CC[N@H+](C)CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000171200756 376409286 /nfs/dbraw/zinc/40/92/86/376409286.db2.gz DSKBAPYYFBPJRM-UHFFFAOYSA-N 1 0 280.328 1.346 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc([N+](=O)[O-])c1 ZINC000189312787 377228493 /nfs/dbraw/zinc/22/84/93/377228493.db2.gz GANFRRPXCABOPC-GXFFZTMASA-N 1 0 277.324 1.774 20 5 CDBDRO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000385671943 377844767 /nfs/dbraw/zinc/84/47/67/377844767.db2.gz HPXUCFDNXBFCGN-CMPLNLGQSA-N 1 0 250.298 1.798 20 5 CDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000069847259 378915006 /nfs/dbraw/zinc/91/50/06/378915006.db2.gz RYYVAXVWKNRPBP-NSHDSACASA-N 1 0 296.346 1.782 20 5 CDBDRO COc1cccc(C(=O)NCC(C)(C)[NH+](C)C)c1[N+](=O)[O-] ZINC000443922738 250062924 /nfs/dbraw/zinc/06/29/24/250062924.db2.gz OKJWJPWQKUFIOG-UHFFFAOYSA-N 1 0 295.339 1.673 20 5 CDBDRO C[C@H]1OCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278804246 194161959 /nfs/dbraw/zinc/16/19/59/194161959.db2.gz YANPVWZBEOCSMS-SCZZXKLOSA-N 1 0 276.296 1.738 20 5 CDBDRO CNC(=O)CC[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174844100 379593450 /nfs/dbraw/zinc/59/34/50/379593450.db2.gz CTHPGTGWTXFVPS-UHFFFAOYSA-N 1 0 285.731 1.816 20 5 CDBDRO CNC(=O)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174998297 379621507 /nfs/dbraw/zinc/62/15/07/379621507.db2.gz FVLKROWHYWAUML-UHFFFAOYSA-N 1 0 291.351 1.943 20 5 CDBDRO C[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000453405855 252313679 /nfs/dbraw/zinc/31/36/79/252313679.db2.gz QPPJBKNLGSAHDS-QMTHXVAHSA-N 1 0 277.324 1.914 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000453376958 252308802 /nfs/dbraw/zinc/30/88/02/252308802.db2.gz VJFMXSMOOVWAOT-ADEWGFFLSA-N 1 0 277.324 1.899 20 5 CDBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CO)COC)cc1[N+](=O)[O-] ZINC000280867566 195007698 /nfs/dbraw/zinc/00/76/98/195007698.db2.gz CQUJWJRVSRCENO-ZYHUDNBSSA-N 1 0 298.339 1.651 20 5 CDBDRO C[NH+](C)C/C=C/C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000491847162 253103290 /nfs/dbraw/zinc/10/32/90/253103290.db2.gz QSENZQKQJAIDJA-ONEGZZNKSA-N 1 0 292.339 1.241 20 5 CDBDRO Cc1c(C[NH2+][C@@](C)(C(N)=O)C(C)C)cccc1[N+](=O)[O-] ZINC000289411241 197334402 /nfs/dbraw/zinc/33/44/02/197334402.db2.gz SZEBYGJEUKCORL-CQSZACIVSA-N 1 0 279.340 1.893 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CCC([NH2+]CC2CC2)CC1 ZINC000133691630 285165120 /nfs/dbraw/zinc/16/51/20/285165120.db2.gz CVNNIMLEWIXUEV-UHFFFAOYSA-N 1 0 276.340 1.958 20 5 CDBDRO C[C@@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000417980383 533206863 /nfs/dbraw/zinc/20/68/63/533206863.db2.gz KHCVRXYRCOTGHX-GOONRYMUSA-N 1 0 290.323 1.173 20 5 CDBDRO Nc1ccc(C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000282066307 195493669 /nfs/dbraw/zinc/49/36/69/195493669.db2.gz WKDRQHHJFBFXFB-JTQLQIEISA-N 1 0 292.339 1.378 20 5 CDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1COCCO1 ZINC000450935458 390580419 /nfs/dbraw/zinc/58/04/19/390580419.db2.gz GLQIVWCYITZFJT-CQSZACIVSA-N 1 0 280.324 1.485 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000361969173 390523385 /nfs/dbraw/zinc/52/33/85/390523385.db2.gz ABQKZQLXQDZRMG-GXFFZTMASA-N 1 0 277.324 1.866 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1 ZINC000451496849 390628149 /nfs/dbraw/zinc/62/81/49/390628149.db2.gz KNLFAXWHMYRXJF-UHTWSYAYSA-N 1 0 292.339 1.339 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451622980 390635183 /nfs/dbraw/zinc/63/51/83/390635183.db2.gz IBCATUUAJDFWEP-SMDDNHRTSA-N 1 0 291.351 1.739 20 5 CDBDRO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)O ZINC000395296328 390840193 /nfs/dbraw/zinc/84/01/93/390840193.db2.gz HTIYGBFQKZCTOO-ONGXEEELSA-N 1 0 268.313 1.852 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000215560294 390914877 /nfs/dbraw/zinc/91/48/77/390914877.db2.gz YHLFJQSPDPVCPZ-ZADCQDASSA-N 1 0 263.297 1.462 20 5 CDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1(CO)CC1 ZINC000411726060 390968023 /nfs/dbraw/zinc/96/80/23/390968023.db2.gz IZTDIMKVXSPUCL-UHFFFAOYSA-N 1 0 293.323 1.380 20 5 CDBDRO CN1C[C@@H](C[N@H+](C)CCc2ccccc2[N+](=O)[O-])OC1=O ZINC000495790729 391122944 /nfs/dbraw/zinc/12/29/44/391122944.db2.gz ATOZWAXLHPVJRW-GFCCVEGCSA-N 1 0 293.323 1.520 20 5 CDBDRO C[C@@H](CO)[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413260846 391185702 /nfs/dbraw/zinc/18/57/02/391185702.db2.gz RNIKCKCCLQFPAO-JTQLQIEISA-N 1 0 298.318 1.022 20 5 CDBDRO CC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000422777640 535475640 /nfs/dbraw/zinc/47/56/40/535475640.db2.gz COQCYVCOUWMZBQ-UHFFFAOYSA-N 1 0 265.313 1.551 20 5 CDBDRO CCNC(=O)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344878936 391294690 /nfs/dbraw/zinc/29/46/90/391294690.db2.gz VTYSWULAZYHQQK-YRNVUSSQSA-N 1 0 277.324 1.724 20 5 CDBDRO Cc1cc(NC(=O)NC[C@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000415425913 391410465 /nfs/dbraw/zinc/41/04/65/391410465.db2.gz DIPVQFSHGSHJQU-MRVPVSSYSA-N 1 0 266.301 1.620 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000415429981 391412252 /nfs/dbraw/zinc/41/22/52/391412252.db2.gz BSPOZTFDKAKNGG-JTQLQIEISA-N 1 0 294.311 1.429 20 5 CDBDRO COCC[C@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440485161 391393504 /nfs/dbraw/zinc/39/35/04/391393504.db2.gz HYMYTEJFLLCHMQ-NWDGAFQWSA-N 1 0 294.355 1.901 20 5 CDBDRO C[NH2+]CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000415580041 391467221 /nfs/dbraw/zinc/46/72/21/391467221.db2.gz LEELIDNYHACFMI-UHFFFAOYSA-N 1 0 266.301 1.553 20 5 CDBDRO C[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000415635577 391470023 /nfs/dbraw/zinc/47/00/23/391470023.db2.gz VCNPHKRUVWXXFT-HQJQHLMTSA-N 1 0 282.275 1.545 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000237963672 391706457 /nfs/dbraw/zinc/70/64/57/391706457.db2.gz GZMWUUBHBUGPCD-VIFPVBQESA-N 1 0 294.267 1.066 20 5 CDBDRO COCCO[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000189676106 130007179 /nfs/dbraw/zinc/00/71/79/130007179.db2.gz PKZZFWZXAFCEDA-OAHLLOKOSA-N 1 0 294.351 1.875 20 5 CDBDRO C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000190430843 130103377 /nfs/dbraw/zinc/10/33/77/130103377.db2.gz ADVGSFHOMLWNFL-WCQYABFASA-N 1 0 280.324 1.676 20 5 CDBDRO C[C@H]1CSCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000190439925 130104794 /nfs/dbraw/zinc/10/47/94/130104794.db2.gz DKFWVERLCHJCKH-SNVBAGLBSA-N 1 0 270.358 1.476 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC([NH2+]C2CC2)CC1 ZINC000192700963 391773435 /nfs/dbraw/zinc/77/34/35/391773435.db2.gz UZXDFUPGGPOOMU-UHFFFAOYSA-N 1 0 293.371 1.840 20 5 CDBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356163285 391934384 /nfs/dbraw/zinc/93/43/84/391934384.db2.gz XTNGBGNFXMIURI-JTQLQIEISA-N 1 0 297.359 1.034 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000193581780 130635887 /nfs/dbraw/zinc/63/58/87/130635887.db2.gz GMKBKTKLMIMBNF-GWCFXTLKSA-N 1 0 293.323 1.230 20 5 CDBDRO C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000036932632 392029742 /nfs/dbraw/zinc/02/97/42/392029742.db2.gz MGZMLKUGHUUQJC-STQMWFEESA-N 1 0 293.367 1.966 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235441413 130950030 /nfs/dbraw/zinc/95/00/30/130950030.db2.gz VDQKPIXGUKHIJP-PSASIEDQSA-N 1 0 281.287 1.604 20 5 CDBDRO COc1cc(C[NH2+]C[C@@H]2CCCOC2)c([N+](=O)[O-])cc1O ZINC000237243220 131017135 /nfs/dbraw/zinc/01/71/35/131017135.db2.gz PAEAAIWZDQOFAF-JTQLQIEISA-N 1 0 296.323 1.825 20 5 CDBDRO C[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000237603008 131046255 /nfs/dbraw/zinc/04/62/55/131046255.db2.gz OVCVVFJZZNUYHH-QWRGUYRKSA-N 1 0 293.323 1.182 20 5 CDBDRO Cc1sc(C(=O)N2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000237697359 131052672 /nfs/dbraw/zinc/05/26/72/131052672.db2.gz WGMSVXUYEFGWRR-SSDOTTSWSA-N 1 0 255.299 1.138 20 5 CDBDRO C[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C ZINC000248336650 131113702 /nfs/dbraw/zinc/11/37/02/131113702.db2.gz HDCCITJMKFEXKL-UWVGGRQHSA-N 1 0 277.324 1.924 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000261700103 131163188 /nfs/dbraw/zinc/16/31/88/131163188.db2.gz IIFXNGYYHNMQKR-CHWSQXEVSA-N 1 0 291.351 1.629 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262166641 131196018 /nfs/dbraw/zinc/19/60/18/131196018.db2.gz JRVHZGUZUIGPGX-ZJUUUORDSA-N 1 0 290.323 1.144 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000262777532 131260990 /nfs/dbraw/zinc/26/09/90/131260990.db2.gz LXDIAAWUNLJDOY-GWCFXTLKSA-N 1 0 277.324 1.252 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000263254965 131287750 /nfs/dbraw/zinc/28/77/50/131287750.db2.gz QJJVXOVBKIAQRM-UHFFFAOYSA-N 1 0 277.280 1.632 20 5 CDBDRO CCNC(=O)C(C)(C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000459560562 392465873 /nfs/dbraw/zinc/46/58/73/392465873.db2.gz KUNOHLBOVLKZKI-UHFFFAOYSA-N 1 0 295.339 1.478 20 5 CDBDRO CC[N@H+]1C[C@@H](C)N(CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000459459012 392438699 /nfs/dbraw/zinc/43/86/99/392438699.db2.gz HRJVHYQBNIVBJK-TXEJJXNPSA-N 1 0 281.360 1.206 20 5 CDBDRO CO[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C12CCC2 ZINC000459756894 392502948 /nfs/dbraw/zinc/50/29/48/392502948.db2.gz KLCVXTXSBXSKEQ-MNOVXSKESA-N 1 0 280.328 1.376 20 5 CDBDRO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000442972405 392512545 /nfs/dbraw/zinc/51/25/45/392512545.db2.gz ZRWJUBCEBSNAGU-BRLPQQTGSA-N 1 0 289.335 1.818 20 5 CDBDRO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)[C@H]1C ZINC000419374695 392891509 /nfs/dbraw/zinc/89/15/09/392891509.db2.gz QKRBDWSIRWMPTA-BLFANLJRSA-N 1 0 282.344 1.129 20 5 CDBDRO CCCN(c1ncc([N+](=O)[O-])c(C)n1)[C@@H]1CC[NH2+]C1 ZINC000420223498 392906622 /nfs/dbraw/zinc/90/66/22/392906622.db2.gz VDSWXIGKZJVIII-SNVBAGLBSA-N 1 0 265.317 1.272 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[C@H]2CCC[NH2+]2)c1 ZINC000420234212 392910009 /nfs/dbraw/zinc/91/00/09/392910009.db2.gz HAZDJIMZUZZDNL-LLVKDONJSA-N 1 0 293.323 1.935 20 5 CDBDRO Cc1nc(N[C@H](C)CN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000268526423 132022096 /nfs/dbraw/zinc/02/20/96/132022096.db2.gz WDASYFFPGSHXGJ-LLVKDONJSA-N 1 0 293.371 1.346 20 5 CDBDRO Cc1n[nH]c(C(=O)N[C@H](C[NH3+])C2CCCCC2)c1[N+](=O)[O-] ZINC000269179355 132125626 /nfs/dbraw/zinc/12/56/26/132125626.db2.gz CROMTNLNDMPRRM-SNVBAGLBSA-N 1 0 295.343 1.264 20 5 CDBDRO [NH3+]C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000269201123 132130792 /nfs/dbraw/zinc/13/07/92/132130792.db2.gz XZHMNAANINDKDB-NSHDSACASA-N 1 0 289.291 1.808 20 5 CDBDRO C[C@]1(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]C1 ZINC000269230633 132137413 /nfs/dbraw/zinc/13/74/13/132137413.db2.gz HSRNDPMRKJRCLN-ZDUSSCGKSA-N 1 0 297.742 1.864 20 5 CDBDRO O=C(C[NH2+]CC1CC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269255547 132143797 /nfs/dbraw/zinc/14/37/97/132143797.db2.gz WFHUVHPWEOUEBC-UHFFFAOYSA-N 1 0 297.742 1.864 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]1 ZINC000423232137 392960884 /nfs/dbraw/zinc/96/08/84/392960884.db2.gz HNGPYCRAJLXHCP-WCQYABFASA-N 1 0 263.341 1.867 20 5 CDBDRO COc1ccc(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000423717213 392967148 /nfs/dbraw/zinc/96/71/48/392967148.db2.gz ACVGAFLUMGFRHA-HZMBPMFUSA-N 1 0 291.307 1.542 20 5 CDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCC[C@@H]1CC[NH2+]C1 ZINC000215354714 392970526 /nfs/dbraw/zinc/97/05/26/392970526.db2.gz IGGSGFNBRWWJAH-FJOGCWAESA-N 1 0 289.335 1.724 20 5 CDBDRO C[C@H]1CC[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000429571999 393082981 /nfs/dbraw/zinc/08/29/81/393082981.db2.gz YJKJPVNVICOMRJ-RYUDHWBXSA-N 1 0 279.340 1.877 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(CO)CCOCC1 ZINC000430218386 393092992 /nfs/dbraw/zinc/09/29/92/393092992.db2.gz LLKZEWUYPQMDGY-UHFFFAOYSA-N 1 0 296.323 1.235 20 5 CDBDRO C[NH2+]C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000430962297 393108081 /nfs/dbraw/zinc/10/80/81/393108081.db2.gz CABKUWKXKRKYNW-UHFFFAOYSA-N 1 0 279.340 1.657 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000449748217 393141680 /nfs/dbraw/zinc/14/16/80/393141680.db2.gz KVCIJVWIAVNDTO-LBPRGKRZSA-N 1 0 293.323 1.230 20 5 CDBDRO CN(CCC[NH+]1CCCC1)c1ncc([N+](=O)[O-])cn1 ZINC000282000414 393165059 /nfs/dbraw/zinc/16/50/59/393165059.db2.gz WHAFWXWJLMAGSE-UHFFFAOYSA-N 1 0 265.317 1.307 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000089091548 139670165 /nfs/dbraw/zinc/67/01/65/139670165.db2.gz XVUIINYJSCHJPY-JOYOIKCWSA-N 1 0 278.312 1.844 20 5 CDBDRO Cc1cnc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000132524488 139854745 /nfs/dbraw/zinc/85/47/45/139854745.db2.gz KNESBHGKQLKJJU-MNOVXSKESA-N 1 0 262.313 1.629 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC([C@H]3CCCO3)CC2)c1 ZINC000189119587 140108668 /nfs/dbraw/zinc/10/86/68/140108668.db2.gz BLAIBDOLCLUGFZ-CQSZACIVSA-N 1 0 294.355 1.682 20 5 CDBDRO Cc1ccc(C(=O)N[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000232233456 140221037 /nfs/dbraw/zinc/22/10/37/140221037.db2.gz POMYPYMCOHDXFY-GFCCVEGCSA-N 1 0 277.324 1.775 20 5 CDBDRO Cc1c(C(=O)N[C@@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000232231830 140221415 /nfs/dbraw/zinc/22/14/15/140221415.db2.gz ASEHFBHFGVDWAZ-LLVKDONJSA-N 1 0 277.324 1.775 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000235353786 140234235 /nfs/dbraw/zinc/23/42/35/140234235.db2.gz MLBIBFZTNLPINP-MWLCHTKSSA-N 1 0 263.297 1.322 20 5 CDBDRO [NH3+]C1(CNc2nc3sccn3c2[N+](=O)[O-])CCC1 ZINC000236219614 140238463 /nfs/dbraw/zinc/23/84/63/140238463.db2.gz MNYJFHPVHRWGSI-UHFFFAOYSA-N 1 0 267.314 1.597 20 5 CDBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000236927422 140247932 /nfs/dbraw/zinc/24/79/32/140247932.db2.gz CLNLDRTZQCUDJF-MFKMUULPSA-N 1 0 294.355 1.496 20 5 CDBDRO C[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)C[C@H]1C[NH3+] ZINC000253202059 140331861 /nfs/dbraw/zinc/33/18/61/140331861.db2.gz YPOXUSLPCVCBHR-NXEZZACHSA-N 1 0 250.302 1.411 20 5 CDBDRO COC[C@@]1(CNc2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000261582673 140356289 /nfs/dbraw/zinc/35/62/89/140356289.db2.gz GUMBJADLZQXNNL-ZDUSSCGKSA-N 1 0 265.313 1.775 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000261625797 140365720 /nfs/dbraw/zinc/36/57/20/140365720.db2.gz VELMAQBGURPPGX-PHIMTYICSA-N 1 0 265.288 1.385 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261743414 140383549 /nfs/dbraw/zinc/38/35/49/140383549.db2.gz SJXZGGNRHZQNBB-QWRGUYRKSA-N 1 0 290.323 1.668 20 5 CDBDRO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000450690250 285799494 /nfs/dbraw/zinc/79/94/94/285799494.db2.gz VHNIEPSHUVLNSO-UFGOTCBOSA-N 1 0 266.297 1.659 20 5 CDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC([NH3+])CC1 ZINC000430614363 397628858 /nfs/dbraw/zinc/62/88/58/397628858.db2.gz YKKIPGXOMZEORX-SNVBAGLBSA-N 1 0 292.339 1.345 20 5 CDBDRO C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000135221924 397910109 /nfs/dbraw/zinc/91/01/09/397910109.db2.gz UFSJIIKTFRFDLS-AAEUAGOBSA-N 1 0 291.351 1.642 20 5 CDBDRO COc1ccc(C[NH2+][C@@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000092395044 147011307 /nfs/dbraw/zinc/01/13/07/147011307.db2.gz UECFRJMDVXHLJO-NSHDSACASA-N 1 0 268.313 1.710 20 5 CDBDRO COc1ccc(CN2CC[C@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000094342168 147082442 /nfs/dbraw/zinc/08/24/42/147082442.db2.gz GCILFOASLOFDHN-PWSUYJOCSA-N 1 0 279.340 1.773 20 5 CDBDRO COCCOCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000175579703 148002807 /nfs/dbraw/zinc/00/28/07/148002807.db2.gz IOJKFSFMMWWISV-UHFFFAOYSA-N 1 0 268.313 1.690 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)[NH3+] ZINC000178696553 148076822 /nfs/dbraw/zinc/07/68/22/148076822.db2.gz SWHNCXYMKGQKFA-MRVPVSSYSA-N 1 0 267.285 1.071 20 5 CDBDRO C[C@H]1[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343422755 152167621 /nfs/dbraw/zinc/16/76/21/152167621.db2.gz CFOOSGLPSZIXPX-WPRPVWTQSA-N 1 0 283.353 1.869 20 5 CDBDRO C[C@H]1[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343429981 152171752 /nfs/dbraw/zinc/17/17/52/152171752.db2.gz IAEXELWHMKPKLK-FZMZJTMJSA-N 1 0 291.351 1.736 20 5 CDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCC[C@H]1O ZINC000352697645 155375008 /nfs/dbraw/zinc/37/50/08/155375008.db2.gz LQHVGLBALJWPFJ-UONOGXRCSA-N 1 0 280.324 1.819 20 5 CDBDRO C[C@@H]1[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000346071752 153042852 /nfs/dbraw/zinc/04/28/52/153042852.db2.gz NRYCFCOBZGXCLQ-NOZJJQNGSA-N 1 0 293.323 1.513 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000227503138 292286504 /nfs/dbraw/zinc/28/65/04/292286504.db2.gz VXHFFBNZXSWRPE-QWRGUYRKSA-N 1 0 264.329 1.862 20 5 CDBDRO CCCC[N@H+](C)CCNc1c([N+](=O)[O-])c(C)nn1C ZINC000352316584 155091179 /nfs/dbraw/zinc/09/11/79/155091179.db2.gz VWXCQRZAFPPNRH-UHFFFAOYSA-N 1 0 269.349 1.781 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)n1 ZINC000375349786 160371518 /nfs/dbraw/zinc/37/15/18/160371518.db2.gz PNLUCERHWHNKMZ-VXGBXAGGSA-N 1 0 280.328 1.435 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[C@H](CO)O2)c(F)c1 ZINC000353723791 156040447 /nfs/dbraw/zinc/04/04/47/156040447.db2.gz URMRLQHYABXRRF-VXGBXAGGSA-N 1 0 284.287 1.363 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC[C@H](CO)O2)c(F)c1 ZINC000353723787 156041092 /nfs/dbraw/zinc/04/10/92/156041092.db2.gz URMRLQHYABXRRF-NWDGAFQWSA-N 1 0 284.287 1.363 20 5 CDBDRO O=C(NCCC[NH+]1CCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000359034801 158105257 /nfs/dbraw/zinc/10/52/57/158105257.db2.gz ZDCYJQHLVCVYIB-UHFFFAOYSA-N 1 0 293.327 1.019 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCN2C(=O)OC[C@H]2C1 ZINC000363870411 159348948 /nfs/dbraw/zinc/34/89/48/159348948.db2.gz VEYMRNAXPXEWPR-CYBMUJFWSA-N 1 0 291.307 1.540 20 5 CDBDRO Cc1cccc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC000089091386 292427586 /nfs/dbraw/zinc/42/75/86/292427586.db2.gz XIPQKFDTQPNOIT-JQWIXIFHSA-N 1 0 277.324 1.760 20 5 CDBDRO CC[N@@H+]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000374001357 160243879 /nfs/dbraw/zinc/24/38/79/160243879.db2.gz KPLVEEDPQVYYJF-UHFFFAOYSA-N 1 0 283.353 1.824 20 5 CDBDRO C[C@H]1COCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000374338007 160275064 /nfs/dbraw/zinc/27/50/64/160275064.db2.gz BFSVPDWVGDUEKV-GFCCVEGCSA-N 1 0 280.324 1.942 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000374360255 160278051 /nfs/dbraw/zinc/27/80/51/160278051.db2.gz OTVHXKCOLONHHX-LBPRGKRZSA-N 1 0 294.355 1.577 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000008181600 170323250 /nfs/dbraw/zinc/32/32/50/170323250.db2.gz QACMJRBWNQFKKD-UHFFFAOYSA-N 1 0 279.340 1.975 20 5 CDBDRO C[C@@H](O)CCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284931161 196160175 /nfs/dbraw/zinc/16/01/75/196160175.db2.gz DLTRNBVWXULFIV-ZJUUUORDSA-N 1 0 267.329 1.989 20 5 CDBDRO C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285356294 196259772 /nfs/dbraw/zinc/25/97/72/196259772.db2.gz VKXJPHORTFYTDO-ODXZIHIVSA-N 1 0 299.396 1.985 20 5 CDBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285530361 196316996 /nfs/dbraw/zinc/31/69/96/196316996.db2.gz AYWFJQYRRBHHOO-UHFFFAOYSA-N 1 0 283.332 1.122 20 5 CDBDRO C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000036932560 172812878 /nfs/dbraw/zinc/81/28/78/172812878.db2.gz HRBJMJIUIWMAON-STQMWFEESA-N 1 0 293.367 1.966 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000038048550 174059296 /nfs/dbraw/zinc/05/92/96/174059296.db2.gz KYSYWBJTXWVNHJ-RKDXNWHRSA-N 1 0 269.326 1.656 20 5 CDBDRO COc1ccc(C[NH2+]C[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000038094170 174107521 /nfs/dbraw/zinc/10/75/21/174107521.db2.gz FYGQCKWMNQROFR-LLVKDONJSA-N 1 0 266.297 1.730 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000040623851 174355616 /nfs/dbraw/zinc/35/56/16/174355616.db2.gz GDYCVCIDWSGHHD-JTQLQIEISA-N 1 0 267.333 1.471 20 5 CDBDRO [NH3+]C1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000040676284 174373948 /nfs/dbraw/zinc/37/39/48/174373948.db2.gz ITKKKZRBJGDTPN-UHFFFAOYSA-N 1 0 277.324 1.525 20 5 CDBDRO NC(=O)c1ccc(NC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000044502887 175186414 /nfs/dbraw/zinc/18/64/14/175186414.db2.gz SPEHLNIOBXSNPL-VIFPVBQESA-N 1 0 278.312 1.105 20 5 CDBDRO CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000071312695 176119218 /nfs/dbraw/zinc/11/92/18/176119218.db2.gz XWTDMPZWSSACRZ-LBPRGKRZSA-N 1 0 278.312 1.811 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417933400 227225665 /nfs/dbraw/zinc/22/56/65/227225665.db2.gz DSPCNPDGGALQNA-SNVBAGLBSA-N 1 0 280.328 1.126 20 5 CDBDRO C[S@](=O)C1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000393703998 270338284 /nfs/dbraw/zinc/33/82/84/270338284.db2.gz LZWQRMDRNKQKSX-IBGZPJMESA-N 1 0 282.365 1.986 20 5 CDBDRO CN1CC[NH2+]C[C@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000394764454 270338858 /nfs/dbraw/zinc/33/88/58/270338858.db2.gz BFKYHAIHPSYNIV-VIFPVBQESA-N 1 0 286.282 1.189 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420609244 270379689 /nfs/dbraw/zinc/37/96/89/270379689.db2.gz JUYSKVURZHMULY-JTQLQIEISA-N 1 0 292.339 1.082 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CC[N@@H+]1C ZINC000525103792 270607592 /nfs/dbraw/zinc/60/75/92/270607592.db2.gz QXIMAYQOKBCRQL-UWVGGRQHSA-N 1 0 280.328 1.146 20 5 CDBDRO COC[C@@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000301214751 274042071 /nfs/dbraw/zinc/04/20/71/274042071.db2.gz XEZNJJCKUVHUFV-GFCCVEGCSA-N 1 0 279.340 1.752 20 5 CDBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000095698835 274599688 /nfs/dbraw/zinc/59/96/88/274599688.db2.gz QMMWSSSHFGFTOS-ZETCQYMHSA-N 1 0 256.693 1.441 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261582979 275033470 /nfs/dbraw/zinc/03/34/70/275033470.db2.gz HAQNUTAENVXGHZ-LBPRGKRZSA-N 1 0 282.731 1.833 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CC[NH2+]C1)CCC2 ZINC000423220398 275038528 /nfs/dbraw/zinc/03/85/28/275038528.db2.gz XSFHCROCVRIZQD-BXUZGUMPSA-N 1 0 261.325 1.924 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4C[NH2+]C[C@H]4C3)c21 ZINC000420269783 275039573 /nfs/dbraw/zinc/03/95/73/275039573.db2.gz YLWJUFXEOUQNIA-MNOVXSKESA-N 1 0 299.334 1.584 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC000261656288 275041240 /nfs/dbraw/zinc/04/12/40/275041240.db2.gz YTQYOFJJIRTNFR-KCJUWKMLSA-N 1 0 282.731 1.831 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269375267 276099353 /nfs/dbraw/zinc/09/93/53/276099353.db2.gz ZPJDHWDCRIINGV-UHFFFAOYSA-N 1 0 297.359 1.513 20 5 CDBDRO CCOC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000348438922 276332732 /nfs/dbraw/zinc/33/27/32/276332732.db2.gz HGAIAEKNUMJDGR-JTQLQIEISA-N 1 0 270.333 1.479 20 5 CDBDRO CC[C@@](C)(O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000123028886 276534944 /nfs/dbraw/zinc/53/49/44/276534944.db2.gz OLNUADSAKNWSPY-OAHLLOKOSA-N 1 0 293.367 1.878 20 5 CDBDRO CC[C@H]1CCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000285601644 276612587 /nfs/dbraw/zinc/61/25/87/276612587.db2.gz BWLOQWYFDOCHJG-WCQYABFASA-N 1 0 279.340 1.925 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000375930252 276870871 /nfs/dbraw/zinc/87/08/71/276870871.db2.gz HCPNNUPVLWIEFL-NSHDSACASA-N 1 0 264.329 1.910 20 5 CDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])cn2)C1 ZINC000301734098 277158165 /nfs/dbraw/zinc/15/81/65/277158165.db2.gz UKBHLFGGDMJXAS-DGCLKSJQSA-N 1 0 276.340 1.910 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[S@@](C)=O ZINC000449160011 278298411 /nfs/dbraw/zinc/29/84/11/278298411.db2.gz KGBHXUXYDYRTMY-JEOXALJRSA-N 1 0 284.381 1.884 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000361969177 278368880 /nfs/dbraw/zinc/36/88/80/278368880.db2.gz ABQKZQLXQDZRMG-ZWNOBZJWSA-N 1 0 277.324 1.866 20 5 CDBDRO C[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000193001696 278394618 /nfs/dbraw/zinc/39/46/18/278394618.db2.gz QDHZWTQVJXBEBP-SNVBAGLBSA-N 1 0 250.298 1.940 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000235699344 278491273 /nfs/dbraw/zinc/49/12/73/278491273.db2.gz LHEBVVCPWNXODC-JGVFFNPUSA-N 1 0 270.720 1.817 20 5 CDBDRO Cc1ccnc(N2CC[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC000261587746 278985691 /nfs/dbraw/zinc/98/56/91/278985691.db2.gz VFTHPRBCYJYJBF-GFCCVEGCSA-N 1 0 250.302 1.473 20 5 CDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000286492582 279116661 /nfs/dbraw/zinc/11/66/61/279116661.db2.gz RLSDFNLWVCXKQF-NXEZZACHSA-N 1 0 292.343 1.030 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000341699460 279119035 /nfs/dbraw/zinc/11/90/35/279119035.db2.gz MXNIYHAHXNRXIL-SECBINFHSA-N 1 0 296.327 1.156 20 5 CDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC(C)(C)O ZINC000267154045 279237159 /nfs/dbraw/zinc/23/71/59/279237159.db2.gz NMTHUOQSIGDMLN-SNVBAGLBSA-N 1 0 295.339 1.625 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1CCC1 ZINC000090548845 279278754 /nfs/dbraw/zinc/27/87/54/279278754.db2.gz DATTZBQHPHPTGZ-UHFFFAOYSA-N 1 0 265.313 1.488 20 5 CDBDRO O=C(C[C@@H]1CC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000127936729 279548610 /nfs/dbraw/zinc/54/86/10/279548610.db2.gz BLFJDBOCQCPTRV-JTQLQIEISA-N 1 0 275.308 1.484 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000237559156 280180248 /nfs/dbraw/zinc/18/02/48/280180248.db2.gz AOIZNAGKYOGXJQ-HYYFJVDXSA-N 1 0 281.287 1.458 20 5 CDBDRO Cc1c(C(=O)N2CC[NH2+][C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000262777574 280208290 /nfs/dbraw/zinc/20/82/90/280208290.db2.gz LYUZFYWCAPRXMH-GHMZBOCLSA-N 1 0 277.324 1.726 20 5 CDBDRO Cc1c(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000094339519 280210056 /nfs/dbraw/zinc/21/00/56/280210056.db2.gz YIWYFGVZMZVEFV-SKDRFNHKSA-N 1 0 277.324 1.713 20 5 CDBDRO O=[N+]([O-])c1nn(CC[C@H]2CC[NH2+]C2)cc1Br ZINC000396651395 280699637 /nfs/dbraw/zinc/69/96/37/280699637.db2.gz OFMWRXBIOLJPSA-SSDOTTSWSA-N 1 0 289.133 1.553 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CC3CC3)CC2)n1 ZINC000178179033 281012159 /nfs/dbraw/zinc/01/21/59/281012159.db2.gz AQDGQBLKZFZEOI-UHFFFAOYSA-N 1 0 276.340 1.830 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1c(OCC)cccc1[N+](=O)[O-] ZINC000521436496 281071875 /nfs/dbraw/zinc/07/18/75/281071875.db2.gz ZGKYTFDEHSKJDA-UHFFFAOYSA-N 1 0 295.339 1.723 20 5 CDBDRO CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[NH+](C)C ZINC000524418712 281110524 /nfs/dbraw/zinc/11/05/24/281110524.db2.gz ZRZHZDPBBZAKRB-NSHDSACASA-N 1 0 296.371 1.639 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000289798030 281247323 /nfs/dbraw/zinc/24/73/23/281247323.db2.gz YZGPCEOIGWLBFQ-CHWSQXEVSA-N 1 0 291.351 1.941 20 5 CDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+](C)C ZINC000154219262 289198224 /nfs/dbraw/zinc/19/82/24/289198224.db2.gz BVMHJJQPGWWUJP-UHFFFAOYSA-N 1 0 297.380 1.998 20 5 CDBDRO Cc1nn(C)cc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000157711836 289293615 /nfs/dbraw/zinc/29/36/15/289293615.db2.gz BKVBGBZWIWKYNO-UHFFFAOYSA-N 1 0 290.323 1.805 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255073139 289354420 /nfs/dbraw/zinc/35/44/20/289354420.db2.gz VOQSMUHEIQMCJM-DMEOUFDRSA-N 1 0 263.297 1.414 20 5 CDBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554856887 290195058 /nfs/dbraw/zinc/19/50/58/290195058.db2.gz CXWDWMHPDRLQBN-SNVBAGLBSA-N 1 0 295.343 1.264 20 5 CDBDRO C[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000163644061 290567615 /nfs/dbraw/zinc/56/76/15/290567615.db2.gz WAUSDHLNUTVOTG-WDEREUQCSA-N 1 0 277.324 1.652 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000571167606 294381542 /nfs/dbraw/zinc/38/15/42/294381542.db2.gz RTMAWORCLAJSKH-UWVGGRQHSA-N 1 0 295.339 1.849 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000089091653 303424930 /nfs/dbraw/zinc/42/49/30/303424930.db2.gz YDSPLTFXCYAVJH-ZJUUUORDSA-N 1 0 299.352 1.001 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@H](CO)C[NH+]2CCCCC2)c(F)c1 ZINC000570180859 316928111 /nfs/dbraw/zinc/92/81/11/316928111.db2.gz PHECNNMDSBSMNF-JTQLQIEISA-N 1 0 298.318 1.388 20 5 CDBDRO COc1cccc(C(=O)NC[C@H]([NH3+])C2CC2)c1[N+](=O)[O-] ZINC000575747182 317006604 /nfs/dbraw/zinc/00/66/04/317006604.db2.gz CHNOMRWMWFZDFV-JTQLQIEISA-N 1 0 279.296 1.071 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000383422386 323666547 /nfs/dbraw/zinc/66/65/47/323666547.db2.gz RTUKUJKRULXFHF-GQPKQTGRSA-N 1 0 275.308 1.414 20 5 CDBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000580090057 324366988 /nfs/dbraw/zinc/36/69/88/324366988.db2.gz JUGBVXJOOCWGOK-RYUDHWBXSA-N 1 0 290.323 1.720 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[NH2+]C1 ZINC000580445103 324467906 /nfs/dbraw/zinc/46/79/06/324467906.db2.gz JKMMDFSGWKOJPP-CYBMUJFWSA-N 1 0 279.340 1.787 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000580631806 324516386 /nfs/dbraw/zinc/51/63/86/324516386.db2.gz MAXXSVXECGFMBW-JQWIXIFHSA-N 1 0 292.339 1.535 20 5 CDBDRO C[C@@H](O)[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000581939061 324864005 /nfs/dbraw/zinc/86/40/05/324864005.db2.gz IPQYTOALUZQBGX-JGVFFNPUSA-N 1 0 264.285 1.330 20 5 CDBDRO CC1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000583907381 325263658 /nfs/dbraw/zinc/26/36/58/325263658.db2.gz JZVKHEVMFOLBLW-UHFFFAOYSA-N 1 0 298.364 1.758 20 5 CDBDRO Nc1ccc(O[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC001218452456 1159535762 /nfs/dbraw/zinc/53/57/62/1159535762.db2.gz KNBUDQLDPLIDRO-SNVBAGLBSA-N 1 0 273.239 1.553 20 5 CDBDRO CC(C)(C(=O)N[C@@H](C[NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000269189146 534357577 /nfs/dbraw/zinc/35/75/77/534357577.db2.gz GHGWCBZTFIGKKL-ZDUSSCGKSA-N 1 0 291.351 1.726 20 5 CDBDRO CC(C)[NH2+]CCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015967 519720107 /nfs/dbraw/zinc/72/01/07/519720107.db2.gz SDALAFIAUJGMGE-UHFFFAOYSA-N 1 0 265.313 1.599 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000068342096 522095618 /nfs/dbraw/zinc/09/56/18/522095618.db2.gz VIBSSZWDFGRZRU-VIFPVBQESA-N 1 0 267.285 1.354 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000068192462 523937494 /nfs/dbraw/zinc/93/74/94/523937494.db2.gz DNDSVUJGPSXVHH-UHFFFAOYSA-N 1 0 277.324 1.761 20 5 CDBDRO C[C@]1(c2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[NH2+]C1 ZINC000062917597 525339939 /nfs/dbraw/zinc/33/99/39/525339939.db2.gz OIMQCEVZSCFEDA-ZDUSSCGKSA-N 1 0 274.280 1.896 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000221565037 526715497 /nfs/dbraw/zinc/71/54/97/526715497.db2.gz IYHIKJYYDUPJKH-TVQRCGJNSA-N 1 0 293.298 1.558 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373879085 527313559 /nfs/dbraw/zinc/31/35/59/527313559.db2.gz BCEUTSBRIWQXAZ-GXFFZTMASA-N 1 0 290.323 1.122 20 5 CDBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000051872985 527373656 /nfs/dbraw/zinc/37/36/56/527373656.db2.gz FXBKLKONVOVZDP-VIFPVBQESA-N 1 0 267.241 1.634 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000130429158 535032374 /nfs/dbraw/zinc/03/23/74/535032374.db2.gz ALHZWIDPOWJFNM-SECBINFHSA-N 1 0 268.317 1.181 20 5 CDBDRO CC[NH2+]CCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000422780863 535466647 /nfs/dbraw/zinc/46/66/47/535466647.db2.gz HSLJKXFMWVJJAX-UHFFFAOYSA-N 1 0 265.313 1.171 20 5 CDBDRO CC[C@@H](C)C[N@H+](CC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000177857414 535509327 /nfs/dbraw/zinc/50/93/27/535509327.db2.gz HWPGTWQLCRXNAL-YPMHNXCESA-N 1 0 284.360 1.520 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000428412089 536374154 /nfs/dbraw/zinc/37/41/54/536374154.db2.gz HAQJCCZUULLAHV-SECBINFHSA-N 1 0 279.296 1.037 20 5 CDBDRO C[NH2+][C@@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000430619558 536377943 /nfs/dbraw/zinc/37/79/43/536377943.db2.gz GJRBDSIOJDHVOT-CMPLNLGQSA-N 1 0 292.339 1.216 20 5 CDBDRO COc1cc(N2C[C@H](C[NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000216206761 536832241 /nfs/dbraw/zinc/83/22/41/536832241.db2.gz MGRRWMKWOOPPRP-UWVGGRQHSA-N 1 0 265.313 1.777 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC([NH3+])CC2)c1 ZINC000237240798 536949240 /nfs/dbraw/zinc/94/92/40/536949240.db2.gz XZKCPLKLPWBPAD-UHFFFAOYSA-N 1 0 279.296 1.167 20 5 CDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CCC[NH2+]C1 ZINC000104334127 1174693722 /nfs/dbraw/zinc/69/37/22/1174693722.db2.gz FSZQJOBEUPICMA-VIFPVBQESA-N 1 0 267.285 1.402 20 5 CDBDRO CC(C)[N@H+](C)CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000726182461 574493158 /nfs/dbraw/zinc/49/31/58/574493158.db2.gz FDVIZXVTHBCYNM-UHFFFAOYSA-N 1 0 277.328 1.995 20 5 CDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000771286830 575564702 /nfs/dbraw/zinc/56/47/02/575564702.db2.gz GQHFMLYZKFCBHN-QWRGUYRKSA-N 1 0 289.339 1.771 20 5 CDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000768528302 576293387 /nfs/dbraw/zinc/29/33/87/576293387.db2.gz XMKOYOANBBOYAS-QWRGUYRKSA-N 1 0 289.339 1.771 20 5 CDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000744347724 576676240 /nfs/dbraw/zinc/67/62/40/576676240.db2.gz CHLAKWBSZJPFLJ-SECBINFHSA-N 1 0 283.353 1.870 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](CCCCO)CC1 ZINC000750181756 576980791 /nfs/dbraw/zinc/98/07/91/576980791.db2.gz UJAHQVJBHLVNMO-UHFFFAOYSA-N 1 0 293.367 1.798 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])C[C@H]2C1 ZINC000804668665 617271355 /nfs/dbraw/zinc/27/13/55/617271355.db2.gz RZOVLGZPQIZAHH-AOOOYVTPSA-N 1 0 292.295 1.501 20 5 CDBDRO COC1CCC(C[NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000893135725 617401787 /nfs/dbraw/zinc/40/17/87/617401787.db2.gz RSMPALSAXOBFCA-UHFFFAOYSA-N 1 0 282.344 1.586 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1OC ZINC000891461277 617422724 /nfs/dbraw/zinc/42/27/24/617422724.db2.gz VBKPWGSWQKHMHM-JTQLQIEISA-N 1 0 280.328 1.895 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@H]2CCOC2)c1[N+](=O)[O-] ZINC000893181270 617444442 /nfs/dbraw/zinc/44/44/42/617444442.db2.gz KRCOLUQWCSMDMZ-VIFPVBQESA-N 1 0 268.269 1.188 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](CNc2c([N+](=O)[O-])cnn2C)C1 ZINC000892081189 617468571 /nfs/dbraw/zinc/46/85/71/617468571.db2.gz VRSZLUFLSPRVKV-SNVBAGLBSA-N 1 0 267.333 1.471 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N(C)CC[N@H+](C)C1CC1 ZINC000893229762 617477684 /nfs/dbraw/zinc/47/76/84/617477684.db2.gz YHHLQLUJSDQVSV-UHFFFAOYSA-N 1 0 280.328 1.529 20 5 CDBDRO COCC[N@H+](C)CCCNc1ncc([N+](=O)[O-])cc1OC ZINC000891805356 617599831 /nfs/dbraw/zinc/59/98/31/617599831.db2.gz IKMUYDWOUIXLER-UHFFFAOYSA-N 1 0 298.343 1.379 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NCC[N@H+]1CC=CCC1 ZINC000893613206 617677041 /nfs/dbraw/zinc/67/70/41/617677041.db2.gz YTCLHVMKJBDSGD-UHFFFAOYSA-N 1 0 278.312 1.672 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NCC[N@@H+]1CCCC(C)(C)C1 ZINC000893528816 618038808 /nfs/dbraw/zinc/03/88/08/618038808.db2.gz OKBJQZOXBRWQPQ-UHFFFAOYSA-N 1 0 281.360 1.862 20 5 CDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1c([N+](=O)[O-])cnn1C ZINC000893828442 618080936 /nfs/dbraw/zinc/08/09/36/618080936.db2.gz LKWIBUAICCQWBS-WDEREUQCSA-N 1 0 279.344 1.391 20 5 CDBDRO COCCC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892427972 618186548 /nfs/dbraw/zinc/18/65/48/618186548.db2.gz XCQXUSUPRZGBMI-UHFFFAOYSA-N 1 0 270.285 1.435 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000841103102 618683012 /nfs/dbraw/zinc/68/30/12/618683012.db2.gz LKGXRFCAZHFLBL-SSDOTTSWSA-N 1 0 284.703 1.813 20 5 CDBDRO C[C@@H](CN(C)CCC[NH+](C)C)Nc1c([N+](=O)[O-])cnn1C ZINC000894494566 618921923 /nfs/dbraw/zinc/92/19/23/618921923.db2.gz GOVCNSPNLOORJP-NSHDSACASA-N 1 0 298.391 1.012 20 5 CDBDRO CCC[C@H]1CN(c2ncc(C)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000895058451 619243084 /nfs/dbraw/zinc/24/30/84/619243084.db2.gz LNVCFIAAPOIVGM-NSHDSACASA-N 1 0 264.329 1.877 20 5 CDBDRO CCC[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[NH2+]1 ZINC000895058594 619243323 /nfs/dbraw/zinc/24/33/23/619243323.db2.gz NADWRVQHGWBMKH-SECBINFHSA-N 1 0 295.368 1.882 20 5 CDBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@H]1C[N@H+](C)CCN1C ZINC000895247323 619494199 /nfs/dbraw/zinc/49/41/99/619494199.db2.gz IMWGPVJESGJHCW-ZYHUDNBSSA-N 1 0 279.344 1.036 20 5 CDBDRO CC1=NO[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000895305608 619532975 /nfs/dbraw/zinc/53/29/75/619532975.db2.gz UZZJJHRWKJOCFD-ZDUSSCGKSA-N 1 0 263.297 1.892 20 5 CDBDRO C[NH+](C)CCCCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000041677943 621683300 /nfs/dbraw/zinc/68/33/00/621683300.db2.gz GZCFZKODFARIQT-UHFFFAOYSA-N 1 0 283.303 1.806 20 5 CDBDRO CCn1cc(CN(C)CCc2cccc([N+](=O)[O-])c2)nn1 ZINC000898894023 621938902 /nfs/dbraw/zinc/93/89/02/621938902.db2.gz SQZAFKOAVHCCFZ-UHFFFAOYSA-N 1 0 289.339 1.881 20 5 CDBDRO COc1cc(C[NH2+]CC[N+](=O)[O-])ccc1OC(C)C ZINC000899871555 622496900 /nfs/dbraw/zinc/49/69/00/622496900.db2.gz SGKWALFSCAQWSL-UHFFFAOYSA-N 1 0 268.313 1.849 20 5 CDBDRO Cc1cc(F)ccc1N1CCC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905123721 626634510 /nfs/dbraw/zinc/63/45/10/626634510.db2.gz LSBMSLGSERRBJR-ZDUSSCGKSA-N 1 0 281.331 1.969 20 5 CDBDRO C[C@H]1C[C@H](NCC[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000905152489 626638138 /nfs/dbraw/zinc/63/81/38/626638138.db2.gz DXTVJBZLIAKMGU-DZGCQCFKSA-N 1 0 277.368 1.906 20 5 CDBDRO COc1ccc([C@H](OC)[C@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000905197049 626673885 /nfs/dbraw/zinc/67/38/85/626673885.db2.gz UIIAEWGOTBJWKH-GXFFZTMASA-N 1 0 268.313 1.638 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000905231006 626686048 /nfs/dbraw/zinc/68/60/48/626686048.db2.gz IIVZPKBKDZVRJG-GJZGRUSLSA-N 1 0 296.342 1.766 20 5 CDBDRO O=C(/C=C\c1ccccc1)NCCC[NH2+]CC[N+](=O)[O-] ZINC000905247607 626703173 /nfs/dbraw/zinc/70/31/73/626703173.db2.gz PNTOGULGDWKDDW-FPLPWBNLSA-N 1 0 277.324 1.072 20 5 CDBDRO CC(C)(C)OC(=O)N1CCC2(C[C@H]2[NH2+]CC[N+](=O)[O-])CC1 ZINC000905264243 626713152 /nfs/dbraw/zinc/71/31/52/626713152.db2.gz TYXVASOXHHTICI-LLVKDONJSA-N 1 0 299.371 1.642 20 5 CDBDRO CN1CC[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000905546236 626847499 /nfs/dbraw/zinc/84/74/99/626847499.db2.gz KOXGTVHCGONYQO-LLVKDONJSA-N 1 0 292.339 1.217 20 5 CDBDRO CC1(C)CN(c2ncc([N+](=O)[O-])cc2F)C[C@H]1[NH3+] ZINC000905724052 626947642 /nfs/dbraw/zinc/94/76/42/626947642.db2.gz DXYUZPWNJBMUEU-SECBINFHSA-N 1 0 254.265 1.302 20 5 CDBDRO COc1ccccc1C[C@@H](C)[N@H+](C)CC[N+](=O)[O-] ZINC000929726200 630712888 /nfs/dbraw/zinc/71/28/88/630712888.db2.gz QGGXSQOBQJYGIG-LLVKDONJSA-N 1 0 252.314 1.835 20 5 CDBDRO O=[N+]([O-])c1cnn(CN2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000151956371 630811571 /nfs/dbraw/zinc/81/15/71/630811571.db2.gz XYYBNKLXFBFKSB-ZDUSSCGKSA-N 1 0 293.371 1.699 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](CCCCO)C2CC2)c1 ZINC000154356836 632188135 /nfs/dbraw/zinc/18/81/35/632188135.db2.gz LQCRLXTZQCNFEM-OAHLLOKOSA-N 1 0 294.351 1.865 20 5 CDBDRO COC(=O)c1cc(NCC2C[NH+](C)C2)cc([N+](=O)[O-])c1 ZINC001170256662 1162320132 /nfs/dbraw/zinc/32/01/32/1162320132.db2.gz RZPUODJUHDQZDD-UHFFFAOYSA-N 1 0 279.296 1.355 20 5 CDBDRO C[NH+]1CC(CNc2ccc3ncc([N+](=O)[O-])n3c2)C1 ZINC001170253671 1162326672 /nfs/dbraw/zinc/32/66/72/1162326672.db2.gz AJUDJZTUXYDSMI-UHFFFAOYSA-N 1 0 261.285 1.216 20 5 CDBDRO CC[C@H](CO)[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170294422 1162328088 /nfs/dbraw/zinc/32/80/88/1162328088.db2.gz QTVMAHSANKHVDB-CMPLNLGQSA-N 1 0 282.340 1.895 20 5 CDBDRO CC[C@@]([NH3+])(CO)N[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170315382 1162334646 /nfs/dbraw/zinc/33/46/46/1162334646.db2.gz XJDKDCGADAVDLH-YGRLFVJLSA-N 1 0 297.355 1.181 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cn(CCF)cn2)C1 ZINC001168998060 1161996749 /nfs/dbraw/zinc/99/67/49/1161996749.db2.gz HUHPHOHHOLBYIC-MNOVXSKESA-N 1 0 270.308 1.388 20 5 CDBDRO COc1cc(C(=O)N2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1F ZINC001579141517 1172105754 /nfs/dbraw/zinc/10/57/54/1172105754.db2.gz SOELPQXTEHXBTF-QMMMGPOBSA-N 1 0 297.286 1.306 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@H]1CC[NH3+] ZINC001579438072 1172179452 /nfs/dbraw/zinc/17/94/52/1172179452.db2.gz XMQSVXSZHVFNOZ-NXEZZACHSA-N 1 0 278.312 1.047 20 5 CDBDRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(c1cc(F)c([N+](=O)[O-])cc1CO)C2 ZINC001580170191 1172368133 /nfs/dbraw/zinc/36/81/33/1172368133.db2.gz OXXADKIIXXRHBV-GDPRMGEGSA-N 1 0 295.314 1.542 20 5 CDBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001580766392 1172534859 /nfs/dbraw/zinc/53/48/59/1172534859.db2.gz DJKXYRWWXXMJNV-DTORHVGOSA-N 1 0 294.286 1.417 20 5 CDBDRO O=[N+]([O-])c1cccc(-c2ncn(C[C@H]3CCC[NH2+]C3)n2)c1 ZINC000122457704 1175240466 /nfs/dbraw/zinc/24/04/66/1175240466.db2.gz KHISDQYVFSYCLU-NSHDSACASA-N 1 0 287.323 1.853 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@]1(CO)CCOC1 ZINC000449238870 1186806748 /nfs/dbraw/zinc/80/67/48/1186806748.db2.gz TWTXACWEIOWOIM-BXUZGUMPSA-N 1 0 280.324 1.267 20 5 CDBDRO CN(c1cc(Cl)cc([N+](=O)[O-])n1)C(C)(C)C[NH3+] ZINC001159054078 1164033998 /nfs/dbraw/zinc/03/39/98/1164033998.db2.gz FNLJLIQJGMVZIB-UHFFFAOYSA-N 1 0 258.709 1.817 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)C(C)(C)C[NH3+])n1 ZINC001159055431 1164041004 /nfs/dbraw/zinc/04/10/04/1164041004.db2.gz NCTMXHFMVXOVBO-UHFFFAOYSA-N 1 0 252.318 1.780 20 5 CDBDRO Cc1nc(N2CCC[C@@H]([NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000295509394 721898106 /nfs/dbraw/zinc/89/81/06/721898106.db2.gz LJSJLTKJUBFFKX-SNVBAGLBSA-N 1 0 265.317 1.224 20 5 CDBDRO C[C@@H]1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)[C@@H](C)C[N@@H+]1C ZINC001164640917 719215733 /nfs/dbraw/zinc/21/57/33/719215733.db2.gz UDCMXAGPVXAMLG-ZJUUUORDSA-N 1 0 289.339 2.000 20 5 CDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000301658150 719371589 /nfs/dbraw/zinc/37/15/89/719371589.db2.gz LTKOXILMHHCEGG-GHMZBOCLSA-N 1 0 298.730 1.162 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC[C@@H]([NH+](C)C)C1 ZINC001165039620 721893156 /nfs/dbraw/zinc/89/31/56/721893156.db2.gz OQJZSCKFDODGKO-LLVKDONJSA-N 1 0 280.328 1.067 20 5 CDBDRO CCOc1nc(N2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001165036573 721894083 /nfs/dbraw/zinc/89/40/83/721894083.db2.gz SSKSVPMESWBKPU-LLVKDONJSA-N 1 0 294.355 1.919 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2CCC(C[NH+](C)C)CC2)n1 ZINC001165042673 721944816 /nfs/dbraw/zinc/94/48/16/721944816.db2.gz VYWMFMPBJKHTNP-UHFFFAOYSA-N 1 0 279.344 1.471 20 5 CDBDRO CC(C)(CCc1noc([C@@]2(C)CC[NH2+]C2)n1)[N+](=O)[O-] ZINC000843235118 790556269 /nfs/dbraw/zinc/55/62/69/790556269.db2.gz ZQTGDDQDNIEJMC-LBPRGKRZSA-N 1 0 268.317 1.309 20 5 CDBDRO CS[C@@H](C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000162715015 790688844 /nfs/dbraw/zinc/68/88/44/790688844.db2.gz PAKSVCNAKZTWTR-JOYOIKCWSA-N 1 0 270.354 1.969 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000886839386 790698393 /nfs/dbraw/zinc/69/83/93/790698393.db2.gz DDDCQZIPDUPDTL-CQSZACIVSA-N 1 0 276.340 1.565 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CC[NH3+])c1C ZINC000884244713 790891889 /nfs/dbraw/zinc/89/18/89/790891889.db2.gz JZAHUMVQVKMLKF-SECBINFHSA-N 1 0 265.313 1.679 20 5 CDBDRO Cn1cc(CN2CCCC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])n1 ZINC000886876069 791036124 /nfs/dbraw/zinc/03/61/24/791036124.db2.gz CALAWAKBGNUYGR-CQSZACIVSA-N 1 0 293.371 1.294 20 5 CDBDRO CN(CCCC[NH+]1CCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000882625172 791077683 /nfs/dbraw/zinc/07/76/83/791077683.db2.gz CPULVNLJMOIWSM-CHWSQXEVSA-N 1 0 283.372 1.376 20 5 CDBDRO C[N@@H+]1CCN(CC[N+](=O)[O-])[C@@H](Cc2ccccc2)C1 ZINC000930856880 791119406 /nfs/dbraw/zinc/11/94/06/791119406.db2.gz LCILXQUMBQUQRJ-AWEZNQCLSA-N 1 0 263.341 1.122 20 5 CDBDRO CCCN(Cc1cccnc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000886827960 789890660 /nfs/dbraw/zinc/89/06/60/789890660.db2.gz UUCVZZQPURAUSE-GFCCVEGCSA-N 1 0 264.329 1.564 20 5 CDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cn1nccc1[N+](=O)[O-] ZINC000808191077 789977278 /nfs/dbraw/zinc/97/72/78/789977278.db2.gz KDUQQSSFFRSLQU-NEPJUHHUSA-N 1 0 279.344 1.307 20 5 CDBDRO CC[C@@H](C)NC(=[NH2+])NCCOc1ccc([N+](=O)[O-])cc1 ZINC000849007501 789979544 /nfs/dbraw/zinc/97/95/44/789979544.db2.gz SZLLKAUBXNFPPT-SNVBAGLBSA-N 1 0 280.328 1.886 20 5 CDBDRO [NH3+][C@@H](CC(=O)NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000137299137 790032802 /nfs/dbraw/zinc/03/28/02/790032802.db2.gz ZXGDCEOLBNXUKY-LBPRGKRZSA-N 1 0 263.297 1.338 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000825201034 790038861 /nfs/dbraw/zinc/03/88/61/790038861.db2.gz IJUORYIVFVVHRX-DTWKUNHWSA-N 1 0 278.312 1.034 20 5 CDBDRO C[N@H+](CCO)CCNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000884825203 791186661 /nfs/dbraw/zinc/18/66/61/791186661.db2.gz KYUVKRVHXDRHNG-UHFFFAOYSA-N 1 0 289.282 1.868 20 5 CDBDRO CC1(C)CNC(=O)[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000931661333 791223552 /nfs/dbraw/zinc/22/35/52/791223552.db2.gz DGWBKHVWRKZRJR-LBPRGKRZSA-N 1 0 293.323 1.088 20 5 CDBDRO COc1ccc(C[NH2+]C[C@@H]2CCN2C)cc1[N+](=O)[O-] ZINC000712585374 791282444 /nfs/dbraw/zinc/28/24/44/791282444.db2.gz GEPKJHJBLMHYGR-NSHDSACASA-N 1 0 265.313 1.397 20 5 CDBDRO C[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1CO ZINC000886295721 791329134 /nfs/dbraw/zinc/32/91/34/791329134.db2.gz IMJKWHOYMUPTOR-ZYHUDNBSSA-N 1 0 265.313 1.440 20 5 CDBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C[NH2+]1 ZINC000086471535 791399332 /nfs/dbraw/zinc/39/93/32/791399332.db2.gz MRRSQBGOOCTGHL-IUCAKERBSA-N 1 0 253.277 1.921 20 5 CDBDRO [NH3+][C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000129211032 791425493 /nfs/dbraw/zinc/42/54/93/791425493.db2.gz YIWIDDJEZMQFPH-LLVKDONJSA-N 1 0 283.715 1.715 20 5 CDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C(F)F ZINC001019912497 791728881 /nfs/dbraw/zinc/72/88/81/791728881.db2.gz CRANGAWBCVADHM-MGCOHNPYSA-N 1 0 299.277 1.597 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2=CC[NH2+]CC2)c1C ZINC000884253205 791873190 /nfs/dbraw/zinc/87/31/90/791873190.db2.gz BYCCYFLFLONIFX-UHFFFAOYSA-N 1 0 289.335 1.861 20 5 CDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)OCCC[NH+]1CCCC1 ZINC000800193265 792012272 /nfs/dbraw/zinc/01/22/72/792012272.db2.gz PVZYIJRNDUKHRM-UHFFFAOYSA-N 1 0 294.311 1.215 20 5 CDBDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000794974183 792043901 /nfs/dbraw/zinc/04/39/01/792043901.db2.gz QGVVFSNENAYYMJ-WDNDVIMCSA-N 1 0 290.319 1.488 20 5 CDBDRO CCC[N@H+](CC[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000929694824 792048547 /nfs/dbraw/zinc/04/85/47/792048547.db2.gz AZBGOIHMPIQRQO-UTUOFQBUSA-N 1 0 256.346 1.789 20 5 CDBDRO [NH3+]C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000700608561 792058354 /nfs/dbraw/zinc/05/83/54/792058354.db2.gz KAIKIWKCJJWDCF-JTQLQIEISA-N 1 0 283.715 1.715 20 5 CDBDRO CC[C@H](CO)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000844256908 792128790 /nfs/dbraw/zinc/12/87/90/792128790.db2.gz NBPRSPFELXCIKJ-LLVKDONJSA-N 1 0 295.339 1.592 20 5 CDBDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886121165 792261722 /nfs/dbraw/zinc/26/17/22/792261722.db2.gz WZDCMYHWJNFSSU-NXEZZACHSA-N 1 0 251.286 1.193 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2nccs2)c1 ZINC000818988705 792353200 /nfs/dbraw/zinc/35/32/00/792353200.db2.gz RJTFPVXCHJJXPW-LBPRGKRZSA-N 1 0 293.348 1.917 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@H]1C[NH2+]CCO1 ZINC000134267361 792392327 /nfs/dbraw/zinc/39/23/27/792392327.db2.gz GNNYBPYDNCFJHC-SECBINFHSA-N 1 0 255.249 1.134 20 5 CDBDRO CC[C@@H](C)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867942365 792415329 /nfs/dbraw/zinc/41/53/29/792415329.db2.gz QUPHTUOPXCSBKF-RNCFNFMXSA-N 1 0 265.313 1.683 20 5 CDBDRO CO[C@H](C)[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819324067 792439821 /nfs/dbraw/zinc/43/98/21/792439821.db2.gz SVECBMPDSBAEIW-BREBYQMCSA-N 1 0 268.313 1.641 20 5 CDBDRO CC1(C)CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000776276504 792462438 /nfs/dbraw/zinc/46/24/38/792462438.db2.gz KGIYEYOTDLKYKW-ZDUSSCGKSA-N 1 0 280.324 1.739 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000114400717 792502665 /nfs/dbraw/zinc/50/26/65/792502665.db2.gz WPQIWTIYLBCFNG-SNVBAGLBSA-N 1 0 295.314 1.758 20 5 CDBDRO C[NH+](C)CC[C@@H](N)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000844676295 792643891 /nfs/dbraw/zinc/64/38/91/792643891.db2.gz CHOXISPXXJCMRV-LLVKDONJSA-N 1 0 291.311 1.596 20 5 CDBDRO C[C@H]([NH2+]CCN1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597667 792723202 /nfs/dbraw/zinc/72/32/02/792723202.db2.gz BICWUHSWVLLKON-JTQLQIEISA-N 1 0 264.329 1.533 20 5 CDBDRO O=[N+]([O-])c1ccnn1CN1CCC([C@@H]2CCOC2)CC1 ZINC000784007463 792884641 /nfs/dbraw/zinc/88/46/41/792884641.db2.gz NBAYHTPRPNMKAS-GFCCVEGCSA-N 1 0 280.328 1.497 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000931281282 792958030 /nfs/dbraw/zinc/95/80/30/792958030.db2.gz WJIVIODPCTWVGC-LJISPDSOSA-N 1 0 291.351 1.120 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700608430 793221171 /nfs/dbraw/zinc/22/11/71/793221171.db2.gz GYUNGGPQLXULBA-SSDOTTSWSA-N 1 0 271.704 1.573 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000886279222 793262146 /nfs/dbraw/zinc/26/21/46/793262146.db2.gz STUOIRKIPIRUQT-CQSZACIVSA-N 1 0 277.324 1.727 20 5 CDBDRO [NH3+]C[C@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000050249733 793409960 /nfs/dbraw/zinc/40/99/60/793409960.db2.gz DONKMZSILKFIKJ-SNVBAGLBSA-N 1 0 272.308 1.928 20 5 CDBDRO CO[C@]1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCOC1 ZINC000788753027 793473883 /nfs/dbraw/zinc/47/38/83/793473883.db2.gz YRFMDGDOFSUYFC-HZMBPMFUSA-N 1 0 295.339 1.633 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000129624504 793475569 /nfs/dbraw/zinc/47/55/69/793475569.db2.gz RCLKPYBCWCEDQM-UHFFFAOYSA-N 1 0 285.731 1.882 20 5 CDBDRO C[C@@H]([NH2+]CCS(=O)(=O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000840880752 793557530 /nfs/dbraw/zinc/55/75/30/793557530.db2.gz FMKVSCAILCMWGR-SNVBAGLBSA-N 1 0 298.364 1.823 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CC[C@@H](O)CC12CCC2 ZINC000886251530 793816249 /nfs/dbraw/zinc/81/62/49/793816249.db2.gz FQXYCSRVAMTTSL-GFCCVEGCSA-N 1 0 277.324 1.869 20 5 CDBDRO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000886129497 793841697 /nfs/dbraw/zinc/84/16/97/793841697.db2.gz GXUIKMLONIUZPG-ONGXEEELSA-N 1 0 251.286 1.504 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCC[C@H]2CCO)cc1 ZINC000794577325 793842079 /nfs/dbraw/zinc/84/20/79/793842079.db2.gz PIQXYGKESYMBMR-TUKIKUTGSA-N 1 0 294.351 1.769 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CO)CCF ZINC000866384451 793847974 /nfs/dbraw/zinc/84/79/74/793847974.db2.gz LOECDILZPIOVJA-SKDRFNHKSA-N 1 0 288.294 1.975 20 5 CDBDRO C[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000832949746 793855067 /nfs/dbraw/zinc/85/50/67/793855067.db2.gz OBUJXHWPIXWZLP-LBPRGKRZSA-N 1 0 297.399 1.765 20 5 CDBDRO C[NH+](C)CCCOC(=O)COc1ccccc1[N+](=O)[O-] ZINC000789945348 794047417 /nfs/dbraw/zinc/04/74/17/794047417.db2.gz HNDPUMRDONDLMN-UHFFFAOYSA-N 1 0 282.296 1.469 20 5 CDBDRO CC(C)(C[NH3+])CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000721251513 794075962 /nfs/dbraw/zinc/07/59/62/794075962.db2.gz XFFQHGOLUJWJRJ-UHFFFAOYSA-N 1 0 251.286 1.908 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000930568366 794213295 /nfs/dbraw/zinc/21/32/95/794213295.db2.gz OOLUJXVGFWLCKW-ZDUSSCGKSA-N 1 0 264.325 1.757 20 5 CDBDRO O=[N+]([O-])c1cn(CC[NH+]2CCCC2)nc1C1CC1 ZINC000789967992 794247882 /nfs/dbraw/zinc/24/78/82/794247882.db2.gz MXPPYDJXOTXNTQ-UHFFFAOYSA-N 1 0 250.302 1.765 20 5 CDBDRO O=[N+]([O-])c1ccn(CCN2CCCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000886872508 794294748 /nfs/dbraw/zinc/29/47/48/794294748.db2.gz UKOKILWBMFVUGT-CQSZACIVSA-N 1 0 293.371 1.257 20 5 CDBDRO CC(C)(Cn1cc(C[C@H]([NH3+])c2ccccc2)nn1)[N+](=O)[O-] ZINC000864642435 794332720 /nfs/dbraw/zinc/33/27/20/794332720.db2.gz OZSJQLOMWBBPPW-ZDUSSCGKSA-N 1 0 289.339 1.576 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886636426 794334123 /nfs/dbraw/zinc/33/41/23/794334123.db2.gz NMHFXVHCTUVRQH-TZMCWYRMSA-N 1 0 277.324 1.727 20 5 CDBDRO CC(=O)NCC1=CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001000345563 794489330 /nfs/dbraw/zinc/48/93/30/794489330.db2.gz KZYWMTXTYLONPY-UHFFFAOYSA-N 1 0 295.364 1.925 20 5 CDBDRO CON(C)C(=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000808743992 794684075 /nfs/dbraw/zinc/68/40/75/794684075.db2.gz SYTKYKLZNPZKRZ-SNVBAGLBSA-N 1 0 281.312 1.655 20 5 CDBDRO [NH3+]C[C@]12CC[C@H]1CCN2c1ncc([N+](=O)[O-])cc1F ZINC000900453369 794709375 /nfs/dbraw/zinc/70/93/75/794709375.db2.gz YZYCTXPPGOLPJF-QPUJVOFHSA-N 1 0 266.276 1.447 20 5 CDBDRO COc1ccc(CN(C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000090290321 794744013 /nfs/dbraw/zinc/74/40/13/794744013.db2.gz HNUVEAYTFCXSAN-UHFFFAOYSA-N 1 0 251.286 1.007 20 5 CDBDRO O=C1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CN1CC1CC1 ZINC000883404201 794822421 /nfs/dbraw/zinc/82/24/21/794822421.db2.gz SPMBGGWEZRRDDX-CYBMUJFWSA-N 1 0 289.335 1.695 20 5 CDBDRO CC1(C)CC(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001022063437 794832799 /nfs/dbraw/zinc/83/27/99/794832799.db2.gz BMMJYLKWLMDJDQ-YVECIDJPSA-N 1 0 295.383 1.325 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000089091546 794835595 /nfs/dbraw/zinc/83/55/95/794835595.db2.gz XVUIINYJSCHJPY-BXKDBHETSA-N 1 0 278.312 1.844 20 5 CDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000825981523 794850302 /nfs/dbraw/zinc/85/03/02/794850302.db2.gz VENUPGWSTDQUQY-LBPRGKRZSA-N 1 0 285.388 1.621 20 5 CDBDRO CC[C@@H](CO)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000930353318 794962133 /nfs/dbraw/zinc/96/21/33/794962133.db2.gz HUIBXUHEGKJULW-LBPRGKRZSA-N 1 0 252.314 1.840 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000876522253 795332587 /nfs/dbraw/zinc/33/25/87/795332587.db2.gz LYZYHUORWJLPKC-LLVKDONJSA-N 1 0 277.324 1.693 20 5 CDBDRO COCCCN(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873060259 795337058 /nfs/dbraw/zinc/33/70/58/795337058.db2.gz GQOLUEXEAAXWJH-UHFFFAOYSA-N 1 0 295.383 1.961 20 5 CDBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886082909 795359437 /nfs/dbraw/zinc/35/94/37/795359437.db2.gz CCCNVVCIKUECTD-PWSUYJOCSA-N 1 0 265.313 1.725 20 5 CDBDRO CO[C@H]1CCN(Cn2nccc2[N+](=O)[O-])CC1(C)C ZINC000840125920 795398850 /nfs/dbraw/zinc/39/88/50/795398850.db2.gz QYWIZFTVWLKXJH-JTQLQIEISA-N 1 0 268.317 1.496 20 5 CDBDRO COc1cccc(N2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000135049854 795462384 /nfs/dbraw/zinc/46/23/84/795462384.db2.gz JXOJTHZTPMUJJU-VIFPVBQESA-N 1 0 251.286 1.531 20 5 CDBDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000819202166 795580354 /nfs/dbraw/zinc/58/03/54/795580354.db2.gz FUKRONSFCPDEFE-MPKXVKKWSA-N 1 0 280.324 1.785 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000719068239 795648195 /nfs/dbraw/zinc/64/81/95/795648195.db2.gz SPECZJCPRQXMGP-LBPRGKRZSA-N 1 0 278.308 1.790 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000843507286 795821861 /nfs/dbraw/zinc/82/18/61/795821861.db2.gz LMLDMIXWVZKOBD-HTQZYQBOSA-N 1 0 266.301 1.033 20 5 CDBDRO CC1(C)OC[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)O1 ZINC000715134831 795837258 /nfs/dbraw/zinc/83/72/58/795837258.db2.gz WPKIHKKDDQQEBP-ZDUSSCGKSA-N 1 0 280.324 1.878 20 5 CDBDRO CN1CC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000848525389 795873672 /nfs/dbraw/zinc/87/36/72/795873672.db2.gz PSIVGVWMLOIUDR-GWCFXTLKSA-N 1 0 261.325 1.876 20 5 CDBDRO C[C@@H](Cn1ccnc1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158632230 795948492 /nfs/dbraw/zinc/94/84/92/795948492.db2.gz ZDNIIAACQAHOEI-SMDDNHRTSA-N 1 0 290.323 1.503 20 5 CDBDRO O=[N+]([O-])c1ncccc1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252890881 796008859 /nfs/dbraw/zinc/00/88/59/796008859.db2.gz IRLPPLVZJJZTDZ-WDEREUQCSA-N 1 0 278.312 1.265 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(F)CC2)c1 ZINC000880245189 796051896 /nfs/dbraw/zinc/05/18/96/796051896.db2.gz NCQPYFIIYZNORL-CYBMUJFWSA-N 1 0 298.314 1.768 20 5 CDBDRO CCC[NH+]1CCC(NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000822226858 796113136 /nfs/dbraw/zinc/11/31/36/796113136.db2.gz KOQMAHOFROBINR-UHFFFAOYSA-N 1 0 285.388 1.813 20 5 CDBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839711166 796132654 /nfs/dbraw/zinc/13/26/54/796132654.db2.gz ZYAQRPSAQLQDAA-JHJVBQTASA-N 1 0 283.372 1.136 20 5 CDBDRO COC[C@]1(C)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830530382 796197611 /nfs/dbraw/zinc/19/76/11/796197611.db2.gz ZHKMEFURPFEYRQ-HUUCEWRRSA-N 1 0 294.351 1.987 20 5 CDBDRO CC(C)NC(=O)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866218560 796205998 /nfs/dbraw/zinc/20/59/98/796205998.db2.gz RRADHEGDRMQDLL-JTQLQIEISA-N 1 0 297.330 1.779 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CC([C@@H]3CCOC3)C2)cc1 ZINC000795550605 796236497 /nfs/dbraw/zinc/23/64/97/796236497.db2.gz HNTYOTLKPBDLGO-DOMZBBRYSA-N 1 0 292.335 1.597 20 5 CDBDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CC[N+](=O)[O-])C[C@@H]2C1 ZINC000932727287 796333034 /nfs/dbraw/zinc/33/30/34/796333034.db2.gz MZUOUZLSIJPTGO-VXGBXAGGSA-N 1 0 299.371 1.452 20 5 CDBDRO CCOc1cccc(N2CC[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000135050692 796414260 /nfs/dbraw/zinc/41/42/60/796414260.db2.gz XTROENWPCGLSFW-JTQLQIEISA-N 1 0 265.313 1.779 20 5 CDBDRO O=C(CO[C@H]1CCC[NH2+]C1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000843487448 796436135 /nfs/dbraw/zinc/43/61/35/796436135.db2.gz GNBRNQPNDHZMHW-JTQLQIEISA-N 1 0 295.295 1.008 20 5 CDBDRO O=[N+]([O-])c1cccc(NCc2noc3c2C[NH2+]CC3)n1 ZINC001155496858 1167196746 /nfs/dbraw/zinc/19/67/46/1167196746.db2.gz BYCNDCGSHZZGTN-UHFFFAOYSA-N 1 0 275.268 1.236 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]1CO ZINC001173221757 912305991 /nfs/dbraw/zinc/30/59/91/912305991.db2.gz LUHRQYXRGLOQCI-FZMZJTMJSA-N 1 0 264.325 1.983 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC(=O)N(C)C ZINC001173227023 912321391 /nfs/dbraw/zinc/32/13/91/912321391.db2.gz MDVYNOZEUPRFIJ-NSHDSACASA-N 1 0 279.340 1.546 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(CO)C1 ZINC001173228342 912321679 /nfs/dbraw/zinc/32/16/79/912321679.db2.gz VASYLKUHMPGAGR-SNVBAGLBSA-N 1 0 250.298 1.450 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCn1cnnc1 ZINC001173235862 912330594 /nfs/dbraw/zinc/33/05/94/912330594.db2.gz VLTBNRDPAPNOPV-LLVKDONJSA-N 1 0 275.312 1.407 20 5 CDBDRO C[NH2+]CCNc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC001167725576 899415456 /nfs/dbraw/zinc/41/54/56/899415456.db2.gz FURTVLBLHDXGJB-UHFFFAOYSA-N 1 0 253.258 1.013 20 5 CDBDRO COc1cc([N+](=O)[O-])c(N[C@H]2C[NH2+]CC[C@H]2F)cc1F ZINC001168226333 907941255 /nfs/dbraw/zinc/94/12/55/907941255.db2.gz DLCJJRVJVJZYOZ-XCBNKYQSSA-N 1 0 287.266 1.854 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCCO)CC2 ZINC001172896679 912050036 /nfs/dbraw/zinc/05/00/36/912050036.db2.gz QXDHOMLDXPCQSD-ZDUSSCGKSA-N 1 0 264.325 1.814 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](Nc2ncnc(Cl)c2[N+](=O)[O-])C1 ZINC001162383766 922422471 /nfs/dbraw/zinc/42/24/71/922422471.db2.gz ASJMTXMVMRULJD-NKWVEPMBSA-N 1 0 271.708 1.720 20 5 CDBDRO COc1nc(C)c(N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001162402521 922518857 /nfs/dbraw/zinc/51/88/57/922518857.db2.gz SVBVJDUEZFISGZ-NXEZZACHSA-N 1 0 280.328 1.989 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(N(C)CC[NH+](C)C)nc1Cl ZINC001163589882 924012458 /nfs/dbraw/zinc/01/24/58/924012458.db2.gz KKKURVXFEAMANW-UHFFFAOYSA-N 1 0 272.736 1.949 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1ccc2nsnc2c1[N+](=O)[O-] ZINC001163776839 924202374 /nfs/dbraw/zinc/20/23/74/924202374.db2.gz MQFRVIBQZNLRPS-SSDOTTSWSA-N 1 0 281.341 1.962 20 5 CDBDRO [NH3+]C1CCN(c2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001166661694 925200387 /nfs/dbraw/zinc/20/03/87/925200387.db2.gz OZGVLHGKOVSWOU-UHFFFAOYSA-N 1 0 256.693 1.571 20 5 CDBDRO COc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC001154984042 926296010 /nfs/dbraw/zinc/29/60/10/926296010.db2.gz DHTBNMIQXGVFKL-RKDXNWHRSA-N 1 0 266.301 1.680 20 5 CDBDRO CC1(C)C[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCO1 ZINC001168977465 927563496 /nfs/dbraw/zinc/56/34/96/927563496.db2.gz KAAWXCFPFLPOMS-SDDRHHMPSA-N 1 0 256.346 1.979 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CC23CCOCC3)C1 ZINC001168979211 927565843 /nfs/dbraw/zinc/56/58/43/927565843.db2.gz XENRHACDAXJERR-UTUOFQBUSA-N 1 0 254.330 1.591 20 5 CDBDRO CC(C)(C)OC(=O)NCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168959162 927580437 /nfs/dbraw/zinc/58/04/37/927580437.db2.gz UHPFXZJBUYVNIL-MNOVXSKESA-N 1 0 287.360 1.546 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)C1 ZINC001168963044 927583892 /nfs/dbraw/zinc/58/38/92/927583892.db2.gz NNQGDZQAJXECIF-STQMWFEESA-N 1 0 292.335 1.993 20 5 CDBDRO Cc1cc(C)c(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c(=O)[nH]1 ZINC001168962428 927585305 /nfs/dbraw/zinc/58/53/05/927585305.db2.gz MRMBEYYPCVTZFP-VXGBXAGGSA-N 1 0 279.340 1.939 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](CO)c2ccc(F)cc2)C1 ZINC001168964983 927586243 /nfs/dbraw/zinc/58/62/43/927586243.db2.gz WYNVGJPFKVMUSF-LERXQTSPSA-N 1 0 282.315 1.894 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2nccnc2Cl)C1 ZINC001168963644 927587022 /nfs/dbraw/zinc/58/70/22/927587022.db2.gz PIIGNAOJLRWUIX-IUCAKERBSA-N 1 0 270.720 1.665 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)C1 ZINC001168969095 927591448 /nfs/dbraw/zinc/59/14/48/927591448.db2.gz CBYVRGHYTJPDJD-CYDGBPFRSA-N 1 0 256.346 1.573 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC001168968354 927591980 /nfs/dbraw/zinc/59/19/80/927591980.db2.gz XXWQKIJFQIFIEH-FRRDWIJNSA-N 1 0 256.346 1.981 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H](CO)Cc2ccc(O)cc2)C1 ZINC001168975233 927599041 /nfs/dbraw/zinc/59/90/41/927599041.db2.gz VDKOUCNROSKVOY-MELADBBJSA-N 1 0 294.351 1.331 20 5 CDBDRO CC[C@H](C)[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)N(C)C ZINC001169004896 927609618 /nfs/dbraw/zinc/60/96/18/927609618.db2.gz RSTKSDBGYOFYCK-RVMXOQNASA-N 1 0 285.388 1.524 20 5 CDBDRO CCC1(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)OCCO1 ZINC001169007163 927610710 /nfs/dbraw/zinc/61/07/10/927610710.db2.gz LRKVKOABYWHDSK-RYUDHWBXSA-N 1 0 272.345 1.565 20 5 CDBDRO Cn1cc(C[N@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001169008208 927614611 /nfs/dbraw/zinc/61/46/11/927614611.db2.gz RZCBQSZAFGEDEF-JQWIXIFHSA-N 1 0 252.318 1.297 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@]3(CCOC3)C2)C1 ZINC001169011513 927617594 /nfs/dbraw/zinc/61/75/94/927617594.db2.gz KMRUYXSOIKUPIW-JHJVBQTASA-N 1 0 254.330 1.544 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)C1 ZINC001169013992 927620148 /nfs/dbraw/zinc/62/01/48/927620148.db2.gz XLFQQNRUBFDGDV-YTWAJWBKSA-N 1 0 276.283 1.398 20 5 CDBDRO C[C@](CO)([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168987484 927624843 /nfs/dbraw/zinc/62/48/43/927624843.db2.gz IZOOKPMZTJJZHH-BPLDGKMQSA-N 1 0 278.352 1.929 20 5 CDBDRO C[C@](CO)([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168987486 927624951 /nfs/dbraw/zinc/62/49/51/927624951.db2.gz IZOOKPMZTJJZHH-VHDGCEQUSA-N 1 0 278.352 1.929 20 5 CDBDRO CN(C)C(=O)N1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168988331 927624982 /nfs/dbraw/zinc/62/49/82/927624982.db2.gz QYEZVQUPUWSGNT-DGCLKSJQSA-N 1 0 298.387 1.167 20 5 CDBDRO [NH3+]Cc1ncccc1N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168988858 927626711 /nfs/dbraw/zinc/62/67/11/927626711.db2.gz UFDQEDSVIHPAFK-NXEZZACHSA-N 1 0 250.302 1.398 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](N3CCCCC3)C2)C1 ZINC001169027878 927632052 /nfs/dbraw/zinc/63/20/52/927632052.db2.gz RKBMBKTZWCEEKM-RBSFLKMASA-N 1 0 281.400 1.992 20 5 CDBDRO CCOC(=O)[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169033654 927640906 /nfs/dbraw/zinc/64/09/06/927640906.db2.gz CZFWEROHJHMMQO-TUAOUCFPSA-N 1 0 270.329 1.317 20 5 CDBDRO CCOC(=O)[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169033652 927641251 /nfs/dbraw/zinc/64/12/51/927641251.db2.gz CZFWEROHJHMMQO-IJLUTSLNSA-N 1 0 270.329 1.317 20 5 CDBDRO CC(C)(C)N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169036754 927646405 /nfs/dbraw/zinc/64/64/05/927646405.db2.gz PWJYWBVVRGCTPR-QWHCGFSZSA-N 1 0 269.389 1.848 20 5 CDBDRO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H](C)N1C ZINC001169038414 927649768 /nfs/dbraw/zinc/64/97/68/927649768.db2.gz YSNZHVISCVJGSO-QNWHQSFQSA-N 1 0 255.362 1.456 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CC[C@H](N3CCCC3)C2)C1 ZINC001169039736 927650973 /nfs/dbraw/zinc/65/09/73/927650973.db2.gz SUTRDHLPEDMSMH-MJBXVCDLSA-N 1 0 267.373 1.602 20 5 CDBDRO CC(C)[C@H]1COCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169041630 927652767 /nfs/dbraw/zinc/65/27/67/927652767.db2.gz BSDNSWHOFIBNET-FRRDWIJNSA-N 1 0 256.346 1.789 20 5 CDBDRO CCOC(=O)C[N@H+](CC)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169041038 927652963 /nfs/dbraw/zinc/65/29/63/927652963.db2.gz AOCWTCMIXCIBMQ-WDEREUQCSA-N 1 0 258.318 1.317 20 5 CDBDRO O=C(C1CCC1)N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169040213 927653947 /nfs/dbraw/zinc/65/39/47/927653947.db2.gz YUSJKOFVBKWTKO-OCCSQVGLSA-N 1 0 295.383 1.376 20 5 CDBDRO Cn1ncc2c1CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169043816 927657628 /nfs/dbraw/zinc/65/76/28/927657628.db2.gz HVZAVBKJWSGWON-JQWIXIFHSA-N 1 0 264.329 1.224 20 5 CDBDRO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169025867 927662945 /nfs/dbraw/zinc/66/29/45/927662945.db2.gz ZNZDCFASTFRLGW-GUTXKFCHSA-N 1 0 295.383 1.519 20 5 CDBDRO CC(C)(C)OC(=O)N1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169053559 927671719 /nfs/dbraw/zinc/67/17/19/927671719.db2.gz IRQIDYXKVQWJAT-NEPJUHHUSA-N 1 0 299.371 1.942 20 5 CDBDRO Cc1nc2c(o1)CCN([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169055886 927672949 /nfs/dbraw/zinc/67/29/49/927672949.db2.gz QYRUFNPYUUNCCS-WDEREUQCSA-N 1 0 265.313 1.787 20 5 CDBDRO CC(C)C(=O)N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169056375 927675869 /nfs/dbraw/zinc/67/58/69/927675869.db2.gz SLGQROXASXPMML-QWHCGFSZSA-N 1 0 283.372 1.232 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH2+]C[C@H]2CO)cc2cc[nH]c21 ZINC001170777424 929944986 /nfs/dbraw/zinc/94/49/86/929944986.db2.gz CHKGJAYIESXHMN-ONGXEEELSA-N 1 0 276.296 1.068 20 5 CDBDRO C[NH+]1CCN(C(C)(C)CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC001115890297 937423751 /nfs/dbraw/zinc/42/37/51/937423751.db2.gz CJRJBKPIUCECJC-UHFFFAOYSA-N 1 0 293.371 1.428 20 5 CDBDRO CCN(C)C(=O)[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819257566 930771850 /nfs/dbraw/zinc/77/18/50/930771850.db2.gz DQBRFWKLHZLGNP-MFKMUULPSA-N 1 0 295.339 1.085 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC001117953964 937572894 /nfs/dbraw/zinc/57/28/94/937572894.db2.gz VMKSVCWBKHSELI-SECBINFHSA-N 1 0 296.327 1.723 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C/C=C\C1CC1 ZINC001118156124 937596934 /nfs/dbraw/zinc/59/69/34/937596934.db2.gz QZACFGVBZLNUIF-SCOBNMCVSA-N 1 0 292.335 1.890 20 5 CDBDRO O=C(N1CCc2ccc([N+](=O)[O-])cc2C1)[C@@]1(F)CC[NH2+]C1 ZINC001118201005 937601843 /nfs/dbraw/zinc/60/18/43/937601843.db2.gz HFEWXIRULDVJCS-CQSZACIVSA-N 1 0 293.298 1.181 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1N(c1ncccn1)C1C[NH2+]C1 ZINC001155869923 937683864 /nfs/dbraw/zinc/68/38/64/937683864.db2.gz OPGUZLNSUVGTFR-UHFFFAOYSA-N 1 0 290.258 1.029 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@H+](CCO)CC2CC2)cc1F ZINC000688442780 934602134 /nfs/dbraw/zinc/60/21/34/934602134.db2.gz ZORFTWGWRCESNY-UHFFFAOYSA-N 1 0 268.288 1.938 20 5 CDBDRO CC(C)(C[NH3+])CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001121875384 937886407 /nfs/dbraw/zinc/88/64/07/937886407.db2.gz NKLKMMFSKACNLQ-UHFFFAOYSA-N 1 0 291.351 1.855 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC001122167673 937910418 /nfs/dbraw/zinc/91/04/18/937910418.db2.gz USDWJMHYOVGLSE-RIEGTJTDSA-N 1 0 289.335 1.772 20 5 CDBDRO COC(=O)c1cnc(N(CCC[NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC001156117772 938321489 /nfs/dbraw/zinc/32/14/89/938321489.db2.gz AJNYWYVBAZMFSH-UHFFFAOYSA-N 1 0 296.327 1.340 20 5 CDBDRO COc1nc(N(C)[C@@]2(C)CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001156956946 938438741 /nfs/dbraw/zinc/43/87/41/938438741.db2.gz SRBHPFQIXUYFHZ-ZDUSSCGKSA-N 1 0 280.328 1.577 20 5 CDBDRO CCC1(Nc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C[NH2+]C1 ZINC001157785104 938544971 /nfs/dbraw/zinc/54/49/71/938544971.db2.gz SWRQKBBRRGCOBK-UHFFFAOYSA-N 1 0 272.692 1.046 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N(C(C)C)[C@@H]1CC[NH2+]C1 ZINC001158022296 938575663 /nfs/dbraw/zinc/57/56/63/938575663.db2.gz MWNTYMKPDKRTBR-LLVKDONJSA-N 1 0 264.329 1.875 20 5 CDBDRO Cc1cnc(C[NH3+])n1-c1ncnc2cccc([N+](=O)[O-])c21 ZINC001158169075 938590228 /nfs/dbraw/zinc/59/02/28/938590228.db2.gz FGVZFOZMFHQOQT-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO Cc1c(C)c(N2CC[N@@H+]3CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001158435058 938626018 /nfs/dbraw/zinc/62/60/18/938626018.db2.gz VXADNPISQFREQS-LLVKDONJSA-N 1 0 262.313 1.501 20 5 CDBDRO C[C@]1(C[NH3+])CCCN(c2ncc([N+](=O)[O-])cc2N)C1 ZINC001158682840 938650303 /nfs/dbraw/zinc/65/03/03/938650303.db2.gz FXEJGXXYWULZFW-GFCCVEGCSA-N 1 0 265.317 1.137 20 5 CDBDRO [NH3+]CCc1cn(-c2cccc([N+](=O)[O-])n2)c2cccnc12 ZINC001158745706 938659314 /nfs/dbraw/zinc/65/93/14/938659314.db2.gz JOPWHHHYSAYPRX-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO CC(C)Oc1nc(N2CC[NH2+]C3(CC3)C2)ccc1[N+](=O)[O-] ZINC001158937942 938680917 /nfs/dbraw/zinc/68/09/17/938680917.db2.gz GMVUHKOLGNSFKE-UHFFFAOYSA-N 1 0 292.339 1.719 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC2(C1)CCC[NH2+]C2 ZINC001159025700 938692346 /nfs/dbraw/zinc/69/23/46/938692346.db2.gz WMSUGDCHGLXREJ-UHFFFAOYSA-N 1 0 298.730 1.071 20 5 CDBDRO C[C@@H](Nc1nccc(Cl)c1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001159489731 938732093 /nfs/dbraw/zinc/73/20/93/938732093.db2.gz RBDKFCQRVUIMCN-APPZFPTMSA-N 1 0 286.719 1.432 20 5 CDBDRO [NH3+]Cc1cc(-c2ccncc2)nn1-c1cccc([N+](=O)[O-])n1 ZINC001160338291 938781806 /nfs/dbraw/zinc/78/18/06/938781806.db2.gz UZLHHQVWCLIQHQ-UHFFFAOYSA-N 1 0 296.290 1.696 20 5 CDBDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1cc(N)c([N+](=O)[O-])cn1)C2 ZINC001160473111 938789992 /nfs/dbraw/zinc/78/99/92/938789992.db2.gz UQGCYIAZIOGWNL-RTCCRHLQSA-N 1 0 291.355 1.999 20 5 CDBDRO Cc1nc(N[C@@]2(C[NH3+])CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC001160508241 938791593 /nfs/dbraw/zinc/79/15/93/938791593.db2.gz FCNGNFPNZGYUAU-AWEZNQCLSA-N 1 0 291.355 1.133 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCc1ccccc1C[NH3+] ZINC001160907542 938841770 /nfs/dbraw/zinc/84/17/70/938841770.db2.gz VGDSOGPQOUFPIX-UHFFFAOYSA-N 1 0 288.307 1.607 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@H]2CC=CCC2)nc1C1C[NH2+]C1 ZINC001161758025 938930385 /nfs/dbraw/zinc/93/03/85/938930385.db2.gz VWGIBDBPENTCRQ-JTQLQIEISA-N 1 0 275.312 1.592 20 5 CDBDRO Cc1c(NC[C@@H]2C[C@H](F)C[NH2+]2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001162477053 939064732 /nfs/dbraw/zinc/06/47/32/939064732.db2.gz CHJSYFASFUZBIM-IUCAKERBSA-N 1 0 298.274 1.923 20 5 CDBDRO [NH3+]C[C@@H]1Cc2ccccc2CN1c1cc([N+](=O)[O-])ccn1 ZINC001162740739 939131697 /nfs/dbraw/zinc/13/16/97/939131697.db2.gz PDDDORJAIASMDA-AWEZNQCLSA-N 1 0 284.319 1.880 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N[C@@H]1C=C[C@H]2C[NH2+]C[C@@H]21 ZINC001162791924 939141331 /nfs/dbraw/zinc/14/13/31/939141331.db2.gz FEWPDHHUFWTJNE-TVYUQYBPSA-N 1 0 297.318 1.724 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)nc1NC[C@@H]1CC[NH2+]C[C@@H]1F ZINC001162801533 939145690 /nfs/dbraw/zinc/14/56/90/939145690.db2.gz AHZLLDFQFNYTIT-BQBZGAKWSA-N 1 0 289.698 1.398 20 5 CDBDRO O=[N+]([O-])c1cc(NC[C@@H]2CC[NH2+]C[C@@H]2F)nc2[nH]ccc21 ZINC001162805414 939146874 /nfs/dbraw/zinc/14/68/74/939146874.db2.gz UKVAMFNFPIUFIF-WPRPVWTQSA-N 1 0 293.302 1.831 20 5 CDBDRO [NH3+][C@H]1COC[C@H]1Nc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001162921261 939161607 /nfs/dbraw/zinc/16/16/07/939161607.db2.gz SDSSQJFEHUGQEH-GXSJLCMTSA-N 1 0 262.269 1.214 20 5 CDBDRO Cc1cc(Cl)c(N[C@@H]2COC[C@@H]2[NH3+])c([N+](=O)[O-])c1 ZINC001162925800 939161967 /nfs/dbraw/zinc/16/19/67/939161967.db2.gz BQMZBJIGGIOVNN-DTWKUNHWSA-N 1 0 271.704 1.695 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])c(NC2CC3(C2)CCC[NH2+]C3)c1 ZINC001162980875 939167657 /nfs/dbraw/zinc/16/76/57/939167657.db2.gz COQUTECAPIGREX-UHFFFAOYSA-N 1 0 278.312 1.172 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@@]23CCC[C@@H]2[NH2+]CC3)cn2cnnc12 ZINC001162987229 939169878 /nfs/dbraw/zinc/16/98/78/939169878.db2.gz BMGVKCMZVVBOBS-WCQYABFASA-N 1 0 288.311 1.334 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163262982 939235395 /nfs/dbraw/zinc/23/53/95/939235395.db2.gz SZXIVNQREAOXCY-MIMYLULJSA-N 1 0 278.312 1.408 20 5 CDBDRO O=C(CCCF)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001164057904 939401720 /nfs/dbraw/zinc/40/17/20/939401720.db2.gz RZCBEIDISHDYTP-UHFFFAOYSA-N 1 0 297.330 1.940 20 5 CDBDRO O=[N+]([O-])c1cnc(-n2cnc3c2C[NH2+]CC3)c2ccccc21 ZINC001164313266 939452161 /nfs/dbraw/zinc/45/21/61/939452161.db2.gz CVNZORUAEMVOHV-UHFFFAOYSA-N 1 0 295.302 1.974 20 5 CDBDRO O=[N+]([O-])c1ccc2ccc(-n3ncc4c3CC[NH2+]C4)nc2c1 ZINC001165219706 939526351 /nfs/dbraw/zinc/52/63/51/939526351.db2.gz VDSKVIRBYYPQKS-UHFFFAOYSA-N 1 0 295.302 1.974 20 5 CDBDRO O=[N+]([O-])c1cc(N2CC[C@@H]3[NH2+]CC[C@H]32)nc2[nH]ccc21 ZINC001165299396 939542768 /nfs/dbraw/zinc/54/27/68/939542768.db2.gz LLQJUAGKPRDAOH-VHSXEESVSA-N 1 0 273.296 1.412 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCc1ccc(S(C)(=O)=O)cc1 ZINC001209895374 940650221 /nfs/dbraw/zinc/65/02/21/940650221.db2.gz NVTCBGBTHZEEMP-GFCCVEGCSA-N 1 0 286.417 1.701 20 5 CDBDRO [NH3+]Cc1cccc(O[C@@H](C[N+](=O)[O-])c2cccnc2)c1 ZINC001218296507 941053439 /nfs/dbraw/zinc/05/34/39/941053439.db2.gz NSJCOYHQSCGABK-AWEZNQCLSA-N 1 0 273.292 1.937 20 5 CDBDRO CN(C)c1ccccc1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001223972964 941709786 /nfs/dbraw/zinc/70/97/86/941709786.db2.gz JBTCNWRUTKALSC-CQSZACIVSA-N 1 0 295.403 1.253 20 5 CDBDRO CC[NH+](CC)CCO[C@@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001224928546 941805591 /nfs/dbraw/zinc/80/55/91/941805591.db2.gz UCZXVHJHEPHTGS-NSHDSACASA-N 1 0 284.360 1.847 20 5 CDBDRO COc1cc(OC)cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001225306682 941842426 /nfs/dbraw/zinc/84/24/26/941842426.db2.gz SUVDLPHJQQZRQV-LLVKDONJSA-N 1 0 298.359 1.066 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ncccc2[N+](=O)[O-])C1 ZINC001225593455 941886063 /nfs/dbraw/zinc/88/60/63/941886063.db2.gz QVUIMXIGWWPGEN-SNVBAGLBSA-N 1 0 251.286 1.851 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001225906756 941927553 /nfs/dbraw/zinc/92/75/53/941927553.db2.gz DWDAAEWEMJESRM-LLVKDONJSA-N 1 0 284.287 1.833 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nsc2ccccc21 ZINC001226433335 942005015 /nfs/dbraw/zinc/00/50/15/942005015.db2.gz YRWZAEUROIGWQZ-SNVBAGLBSA-N 1 0 295.384 1.659 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2nc(C)ccc2[N+](=O)[O-])C1 ZINC001227062190 942124276 /nfs/dbraw/zinc/12/42/76/942124276.db2.gz ILBXNZLHYXACON-SNVBAGLBSA-N 1 0 251.286 1.771 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncccc1Cl ZINC001227115012 942135720 /nfs/dbraw/zinc/13/57/20/942135720.db2.gz HXEJPVSLKAJYAU-SECBINFHSA-N 1 0 273.740 1.098 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2c1CCCC2 ZINC001227687679 942203388 /nfs/dbraw/zinc/20/33/88/942203388.db2.gz KJULBVXLJIAAAL-CQSZACIVSA-N 1 0 292.399 1.928 20 5 CDBDRO C[N@@H+]1CCC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001227744233 942216763 /nfs/dbraw/zinc/21/67/63/942216763.db2.gz FPMHAGKSZKILFZ-SNVBAGLBSA-N 1 0 276.296 1.944 20 5 CDBDRO Cc1ccc2c(c1)onc2OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228083554 942266573 /nfs/dbraw/zinc/26/65/73/942266573.db2.gz GUCFEVNTZGIBQH-LLVKDONJSA-N 1 0 293.343 1.499 20 5 CDBDRO Cc1cn2cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c2n1 ZINC001228841381 942383101 /nfs/dbraw/zinc/38/31/01/942383101.db2.gz IFMYNOOVRMSIPC-GFCCVEGCSA-N 1 0 292.359 1.005 20 5 CDBDRO Cc1nc2nc[nH]c2c(O[C@H](C)C[N+](C)(C)C)n1 ZINC001229438878 942474135 /nfs/dbraw/zinc/47/41/35/942474135.db2.gz YSEHJLFBQVGIFH-MRVPVSSYSA-N 1 0 250.326 1.135 20 5 CDBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccnc([N+](=O)[O-])c1)C2 ZINC001233855857 943673180 /nfs/dbraw/zinc/67/31/80/943673180.db2.gz WMAXUEDGYMENFF-PEGIJTEDSA-N 1 0 263.297 1.994 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(O[C@@H]2CCC[N@H+](C)CC2)n1 ZINC001234877887 943964341 /nfs/dbraw/zinc/96/43/41/943964341.db2.gz DMYKNHYRHYCLTR-SNVBAGLBSA-N 1 0 281.312 1.862 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3(O)CC3)CC2)cc1 ZINC001254464968 947450468 /nfs/dbraw/zinc/45/04/68/947450468.db2.gz PCLQYJDAZZHKPH-UHFFFAOYSA-N 1 0 291.351 1.678 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CC[C@@H](O)C1 ZINC001254540418 947517441 /nfs/dbraw/zinc/51/74/41/947517441.db2.gz TVKMBGWTNGHDFK-GXTWGEPZSA-N 1 0 293.367 1.182 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CNC(=O)O1 ZINC001254550495 947522975 /nfs/dbraw/zinc/52/29/75/947522975.db2.gz KTESMWWOHUTPIA-ONGXEEELSA-N 1 0 279.296 1.224 20 5 CDBDRO CC1(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)OCCO1 ZINC001254584376 947539634 /nfs/dbraw/zinc/53/96/34/947539634.db2.gz RQIISAKMXRXTFU-GFCCVEGCSA-N 1 0 278.308 1.415 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCc1ccncn1)C2 ZINC001254588306 947543668 /nfs/dbraw/zinc/54/36/68/947543668.db2.gz DERFTZRIHTUWSM-AWEZNQCLSA-N 1 0 284.319 1.684 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@H]1CO)C2 ZINC001254594581 947545947 /nfs/dbraw/zinc/54/59/47/947545947.db2.gz RSFWVMCOHTVFGX-KBPBESRZSA-N 1 0 262.309 1.519 20 5 CDBDRO C[C@@H]1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[N@@H+]1C ZINC001254602059 947551930 /nfs/dbraw/zinc/55/19/30/947551930.db2.gz ACXCERDNBLHWOS-IAQYHMDHSA-N 1 0 275.352 1.698 20 5 CDBDRO C[C@H]1C[NH2+]C[C@@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247808852 948792296 /nfs/dbraw/zinc/79/22/96/948792296.db2.gz KLOOFPAPQVLAJW-XPUUQOCRSA-N 1 0 293.258 1.502 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001326832920 954579402 /nfs/dbraw/zinc/57/94/02/954579402.db2.gz QINATRQASSHJFP-SNVBAGLBSA-N 1 0 295.339 1.260 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N[C@H](C)CC[NH+](C)C ZINC001328517344 955321630 /nfs/dbraw/zinc/32/16/30/955321630.db2.gz YMOMXQYTGWOKMI-SNVBAGLBSA-N 1 0 252.318 1.472 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001323129785 960474822 /nfs/dbraw/zinc/47/48/22/960474822.db2.gz AWIKKFJXTFTIEL-JTQLQIEISA-N 1 0 292.339 1.570 20 5 CDBDRO C[C@@H](NCC[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001337776691 961417220 /nfs/dbraw/zinc/41/72/20/961417220.db2.gz CXBBBMYJWAEYST-UKRRQHHQSA-N 1 0 277.368 1.763 20 5 CDBDRO [NH3+][C@H]1C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001342064343 963625359 /nfs/dbraw/zinc/62/53/59/963625359.db2.gz ILYKHLRLUXXPSW-XYPYZODXSA-N 1 0 263.297 1.133 20 5 CDBDRO Cc1cc(NC(=O)C[C@H]2COCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC001342135850 963649708 /nfs/dbraw/zinc/64/97/08/963649708.db2.gz QQBIWJUWRYXYIE-NSHDSACASA-N 1 0 279.296 1.220 20 5 CDBDRO C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001343460062 963992981 /nfs/dbraw/zinc/99/29/81/963992981.db2.gz VOUBZINLCNKPRP-LEWSCRJBSA-N 1 0 289.335 1.519 20 5 CDBDRO C[C@@H](CNC(=O)CC(C)(C)[NH3+])c1ccccc1[N+](=O)[O-] ZINC001345323372 964668073 /nfs/dbraw/zinc/66/80/73/964668073.db2.gz BCZYIJUPKYJOQZ-JTQLQIEISA-N 1 0 279.340 1.942 20 5 CDBDRO Cc1nc(N[C@@H]2CCC[C@H]2[NH+](C)C)ncc1[N+](=O)[O-] ZINC001349774882 966466621 /nfs/dbraw/zinc/46/66/21/966466621.db2.gz TUHHWMKFGJXXOR-NXEZZACHSA-N 1 0 265.317 1.588 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2C=CCC2)c1 ZINC001353300257 967873188 /nfs/dbraw/zinc/87/31/88/967873188.db2.gz LSSZOYAJPIFHFE-AAEUAGOBSA-N 1 0 278.308 1.643 20 5 CDBDRO C[C@@H]1CCN(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001353311073 967885510 /nfs/dbraw/zinc/88/55/10/967885510.db2.gz NOXWJVYAYSAMDB-DOMZBBRYSA-N 1 0 293.367 1.560 20 5 CDBDRO CC[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)[NH+]1CCCC1 ZINC001354069738 968452176 /nfs/dbraw/zinc/45/21/76/968452176.db2.gz IRMYGIQRTHXXAM-JTQLQIEISA-N 1 0 279.344 1.858 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCC[NH3+] ZINC001354112239 968484053 /nfs/dbraw/zinc/48/40/53/968484053.db2.gz MCMGOTQRAMSWMQ-UHFFFAOYSA-N 1 0 283.353 1.738 20 5 CDBDRO [NH3+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001354523950 968756986 /nfs/dbraw/zinc/75/69/86/968756986.db2.gz RRVRSYSWAJVVPJ-WGEPELCKSA-N 1 0 289.335 1.552 20 5 CDBDRO COCC[NH2+]CC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001355317287 969121197 /nfs/dbraw/zinc/12/11/97/969121197.db2.gz WXZJLRUELCXPNK-LLVKDONJSA-N 1 0 295.339 1.051 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001356498817 969413166 /nfs/dbraw/zinc/41/31/66/969413166.db2.gz JHZBUIRZRNLKSJ-LEWSCRJBSA-N 1 0 291.351 1.670 20 5 CDBDRO COc1ccc([C@H](C[NH+](C)C)NCC[N+](=O)[O-])cc1 ZINC001356620788 969443538 /nfs/dbraw/zinc/44/35/38/969443538.db2.gz DZGRXYSGBYZMOZ-ZDUSSCGKSA-N 1 0 267.329 1.164 20 5 CDBDRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001576120605 1171337975 /nfs/dbraw/zinc/33/79/75/1171337975.db2.gz WTDNDPJIKVYLIP-VIFPVBQESA-N 1 0 292.339 1.376 20 5 CDBDRO CN(c1c([N+](=O)[O-])c(C(F)(F)F)nn1C)C1CC([NH3+])C1 ZINC001578506004 1171936742 /nfs/dbraw/zinc/93/67/42/1171936742.db2.gz CRVHHJVNZSAJQY-UHFFFAOYSA-N 1 0 293.249 1.273 20 5 CDBDRO COCC[N@H+](C)CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601031009 342460108 /nfs/dbraw/zinc/46/01/08/342460108.db2.gz CONZLCTUPKPIKN-UHFFFAOYSA-N 1 0 299.302 1.042 20 5 CDBDRO C[NH+]1CCN(CCCNc2ccsc2[N+](=O)[O-])CC1 ZINC000601100756 342464104 /nfs/dbraw/zinc/46/41/04/342464104.db2.gz GOMWELGQUFZLQI-UHFFFAOYSA-N 1 0 284.385 1.706 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCCN1c1ncc([N+](=O)[O-])s1 ZINC000601189262 342488262 /nfs/dbraw/zinc/48/82/62/342488262.db2.gz PIFDKKNERMJLLF-SECBINFHSA-N 1 0 270.358 1.972 20 5 CDBDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000600178992 341983610 /nfs/dbraw/zinc/98/36/10/341983610.db2.gz POORIGFZROMENC-CYBMUJFWSA-N 1 0 291.351 1.956 20 5 CDBDRO CC[N@H+](C)CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000124426215 187137471 /nfs/dbraw/zinc/13/74/71/187137471.db2.gz DCGYGGWCPIWSPF-UHFFFAOYSA-N 1 0 294.355 1.388 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000320606884 341993530 /nfs/dbraw/zinc/99/35/30/341993530.db2.gz XUNWLAYFAFQPIP-BDAKNGLRSA-N 1 0 251.286 1.450 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]2CC[NH2+][C@H]2C)cccc1[N+](=O)[O-] ZINC000231857011 341994819 /nfs/dbraw/zinc/99/48/19/341994819.db2.gz QPEJYTPGBWLJFQ-CMPLNLGQSA-N 1 0 277.324 1.517 20 5 CDBDRO C[C@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000293762810 365530214 /nfs/dbraw/zinc/53/02/14/365530214.db2.gz NAOKIXCTRQCRDD-IDVQTMNDSA-N 1 0 291.351 1.922 20 5 CDBDRO [NH3+]CCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000070187579 361772589 /nfs/dbraw/zinc/77/25/89/361772589.db2.gz HFEHCTBDUIPNQZ-UHFFFAOYSA-N 1 0 277.324 1.796 20 5 CDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000590580327 342577470 /nfs/dbraw/zinc/57/74/70/342577470.db2.gz AIGSJMPXMAWLDO-ZYHUDNBSSA-N 1 0 291.355 1.493 20 5 CDBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000590722032 342583864 /nfs/dbraw/zinc/58/38/64/342583864.db2.gz JOXPWJDYTYZTMO-AOOOYVTPSA-N 1 0 283.353 1.931 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000237590617 342062162 /nfs/dbraw/zinc/06/21/62/342062162.db2.gz CMTJQEQZLUTRFK-WCQYABFASA-N 1 0 291.351 1.866 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000135359666 342070516 /nfs/dbraw/zinc/07/05/16/342070516.db2.gz PROKOLDYSISEMQ-CMPLNLGQSA-N 1 0 277.324 1.855 20 5 CDBDRO CN(CC[NH+]1CCCC1)c1cccnc1[N+](=O)[O-] ZINC000609132833 342091426 /nfs/dbraw/zinc/09/14/26/342091426.db2.gz PLKOKYJLVQWGAX-UHFFFAOYSA-N 1 0 250.302 1.522 20 5 CDBDRO O=C1NCCC[C@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000590971940 342612430 /nfs/dbraw/zinc/61/24/30/342612430.db2.gz YAEQOECDJPZVBQ-NSHDSACASA-N 1 0 263.297 1.211 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@H]4CC[NH2+][C@@H]4C3)c21 ZINC000591437331 342631853 /nfs/dbraw/zinc/63/18/53/342631853.db2.gz GKLUXBHUGSVPTL-ZYHUDNBSSA-N 1 0 299.334 1.726 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000591344098 342628632 /nfs/dbraw/zinc/62/86/32/342628632.db2.gz DVTARAUWWVOXDP-IUCAKERBSA-N 1 0 266.301 1.302 20 5 CDBDRO Cc1nc(N2CCC3(CC[NH2+]C3)CC2)ncc1[N+](=O)[O-] ZINC000591440592 342632188 /nfs/dbraw/zinc/63/21/88/342632188.db2.gz BUDJHJXOAAKYPA-UHFFFAOYSA-N 1 0 277.328 1.273 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[NH3+] ZINC000592333699 342685744 /nfs/dbraw/zinc/68/57/44/342685744.db2.gz NWJWFJHSEPTPDV-SECBINFHSA-N 1 0 251.286 1.289 20 5 CDBDRO CN(CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000592472645 342698431 /nfs/dbraw/zinc/69/84/31/342698431.db2.gz UJVYWQABESCRDQ-LBPRGKRZSA-N 1 0 265.313 1.267 20 5 CDBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CC[N@H+](C)C1 ZINC000592832157 342741671 /nfs/dbraw/zinc/74/16/71/342741671.db2.gz RWIWBWYUCOECPJ-JTQLQIEISA-N 1 0 280.328 1.479 20 5 CDBDRO C[C@@H](CCO)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000593108968 342769188 /nfs/dbraw/zinc/76/91/88/342769188.db2.gz FGKZMNXWCWXNNV-JTQLQIEISA-N 1 0 296.323 1.664 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000161156040 361900375 /nfs/dbraw/zinc/90/03/75/361900375.db2.gz YTQZNXNSMXKRIE-LBPRGKRZSA-N 1 0 293.323 1.184 20 5 CDBDRO CN(CC[NH+]1CCCCC1)c1ncc([N+](=O)[O-])cn1 ZINC000593518052 342805911 /nfs/dbraw/zinc/80/59/11/342805911.db2.gz XEWQEVUQQRRRIJ-UHFFFAOYSA-N 1 0 265.317 1.307 20 5 CDBDRO C[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593726448 342829356 /nfs/dbraw/zinc/82/93/56/342829356.db2.gz HZERAIGWLOXVOX-ZYHUDNBSSA-N 1 0 279.340 1.717 20 5 CDBDRO C[C@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCC(=O)N1 ZINC000453585520 252328140 /nfs/dbraw/zinc/32/81/40/252328140.db2.gz GQQGLIMOAGQSLN-CYBMUJFWSA-N 1 0 263.297 1.353 20 5 CDBDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000323259483 342862973 /nfs/dbraw/zinc/86/29/73/342862973.db2.gz GITKKPWSHVHADR-AXTRIDKLSA-N 1 0 252.270 1.005 20 5 CDBDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000352798877 539114031 /nfs/dbraw/zinc/11/40/31/539114031.db2.gz DTJBZJREJKCYPG-LDYMZIIASA-N 1 0 295.364 1.535 20 5 CDBDRO CNc1ccc(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)cc1[N+](=O)[O-] ZINC000594625371 342928876 /nfs/dbraw/zinc/92/88/76/342928876.db2.gz IFUMSJWKJDRZET-MWLCHTKSSA-N 1 0 292.339 1.588 20 5 CDBDRO [NH3+]CCCn1cc(COc2ccccc2[N+](=O)[O-])nn1 ZINC000594643599 342940068 /nfs/dbraw/zinc/94/00/68/342940068.db2.gz GNNGNAPETPTUGJ-UHFFFAOYSA-N 1 0 277.284 1.114 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000108344081 349736214 /nfs/dbraw/zinc/73/62/14/349736214.db2.gz ZVRWGTSFYSUXSI-NSHDSACASA-N 1 0 277.324 1.666 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCn2ccnc2C1 ZINC000619479579 349741548 /nfs/dbraw/zinc/74/15/48/349741548.db2.gz XPLRKXWJMMYBGO-UHFFFAOYSA-N 1 0 276.300 1.336 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000595269235 343019131 /nfs/dbraw/zinc/01/91/31/343019131.db2.gz RWJZXLIOAQAHGD-GHMZBOCLSA-N 1 0 294.355 1.871 20 5 CDBDRO CNC(=O)C(C)(C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000230397611 349777299 /nfs/dbraw/zinc/77/72/99/349777299.db2.gz HTDYPFYQIJBNGJ-UHFFFAOYSA-N 1 0 279.340 1.499 20 5 CDBDRO Cc1noc(CN(C)C[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000595311302 343032829 /nfs/dbraw/zinc/03/28/29/343032829.db2.gz INYWKSDBYAAYDE-JTQLQIEISA-N 1 0 269.301 1.750 20 5 CDBDRO CC(C)(C)[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075716508 342312511 /nfs/dbraw/zinc/31/25/11/342312511.db2.gz MANFAGLJZYOULL-QWHCGFSZSA-N 1 0 296.371 1.663 20 5 CDBDRO Cc1cnc(NCCC[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000078632648 342338946 /nfs/dbraw/zinc/33/89/46/342338946.db2.gz JPBJAZYCYHCVBU-UHFFFAOYSA-N 1 0 294.355 1.557 20 5 CDBDRO [NH3+]Cc1nccn1CCOc1cccc([N+](=O)[O-])c1 ZINC000600966146 342354461 /nfs/dbraw/zinc/35/44/61/342354461.db2.gz IBGACSDYHKVVOO-UHFFFAOYSA-N 1 0 262.269 1.329 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000595984073 343211431 /nfs/dbraw/zinc/21/14/31/343211431.db2.gz USGLGEOMDNJMTQ-MRVPVSSYSA-N 1 0 251.286 1.241 20 5 CDBDRO C[C@@H]1CCCN(c2ccc(N)c([N+](=O)[O-])n2)[C@H]1CC[NH3+] ZINC000596014566 343218657 /nfs/dbraw/zinc/21/86/57/343218657.db2.gz QUDWFKVZBDHELI-KOLCDFICSA-N 1 0 279.344 1.526 20 5 CDBDRO CC[NH+](CC)CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596052204 343221370 /nfs/dbraw/zinc/22/13/70/343221370.db2.gz ULOUOMPBTSDGTF-UHFFFAOYSA-N 1 0 254.290 1.449 20 5 CDBDRO CCC(CC)[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)[NH+](C)C ZINC000596069429 343224831 /nfs/dbraw/zinc/22/48/31/343224831.db2.gz GUWHAJPUICUNKE-LBPRGKRZSA-N 1 0 295.387 1.772 20 5 CDBDRO NC(=O)c1cc(NCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000596075228 343226470 /nfs/dbraw/zinc/22/64/70/343226470.db2.gz FTRPGKKSSKCZSQ-UHFFFAOYSA-N 1 0 292.339 1.592 20 5 CDBDRO NC(=O)c1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000596093032 343234444 /nfs/dbraw/zinc/23/44/44/343234444.db2.gz ZTZBGOLGHVPHAH-SECBINFHSA-N 1 0 290.323 1.342 20 5 CDBDRO O=c1[nH]ccc(N[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000596092935 343234521 /nfs/dbraw/zinc/23/45/21/343234521.db2.gz YEMGHVDNYDNVID-QMMMGPOBSA-N 1 0 264.285 1.344 20 5 CDBDRO C[C@H]1C[C@@H](Nc2ccc(N)c([N+](=O)[O-])n2)C[N@@H+]1C1CC1 ZINC000596155348 343247240 /nfs/dbraw/zinc/24/72/40/343247240.db2.gz IHFPSBBAEXXSQH-DTWKUNHWSA-N 1 0 277.328 1.031 20 5 CDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000081362900 342367466 /nfs/dbraw/zinc/36/74/66/342367466.db2.gz HDGJFUIGNNIGJH-LLVKDONJSA-N 1 0 295.339 1.992 20 5 CDBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])nc2)[C@H](C)C1 ZINC000596267942 343280762 /nfs/dbraw/zinc/28/07/62/343280762.db2.gz AIVBBLLJVQCAJY-LLVKDONJSA-N 1 0 264.329 1.910 20 5 CDBDRO C[C@@H](CCNc1c(C(N)=O)cccc1[N+](=O)[O-])[NH+](C)C ZINC000596429725 343318699 /nfs/dbraw/zinc/31/86/99/343318699.db2.gz IYIRXXHMXFMZBX-VIFPVBQESA-N 1 0 280.328 1.446 20 5 CDBDRO CCc1nn(C)c(N(C)CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000094155536 342430043 /nfs/dbraw/zinc/43/00/43/342430043.db2.gz WYTCYARZRRZXHE-UHFFFAOYSA-N 1 0 295.387 1.669 20 5 CDBDRO CNC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000140787404 342445633 /nfs/dbraw/zinc/44/56/33/342445633.db2.gz PMTGVDBNZQJHNI-UHFFFAOYSA-N 1 0 279.340 1.941 20 5 CDBDRO Cc1nn(C)c(C(=O)NCC2([NH3+])CCCCC2)c1[N+](=O)[O-] ZINC000159501863 282255783 /nfs/dbraw/zinc/25/57/83/282255783.db2.gz AZVGXLKPENATDL-UHFFFAOYSA-N 1 0 295.343 1.028 20 5 CDBDRO C[NH+]1CC2(C1)CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C2 ZINC000597573011 343574603 /nfs/dbraw/zinc/57/46/03/343574603.db2.gz WVMAGHRNZXDIEN-UHFFFAOYSA-N 1 0 293.298 1.512 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(SCC[NH3+])c1 ZINC001578874765 1172031667 /nfs/dbraw/zinc/03/16/67/1172031667.db2.gz RALIUNLOKPEKNX-UHFFFAOYSA-N 1 0 256.283 1.432 20 5 CDBDRO [NH3+]CC1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000111832852 365797416 /nfs/dbraw/zinc/79/74/16/365797416.db2.gz OWPCZZGBAGWTEB-UHFFFAOYSA-N 1 0 299.352 1.145 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598667203 343862710 /nfs/dbraw/zinc/86/27/10/343862710.db2.gz FVQQDLYWKIZJHK-IAQYHMDHSA-N 1 0 289.335 1.857 20 5 CDBDRO CN(CC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598914335 343919660 /nfs/dbraw/zinc/91/96/60/343919660.db2.gz ARLHEEULKRBCDT-UHFFFAOYSA-N 1 0 256.237 1.156 20 5 CDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000598915988 343920049 /nfs/dbraw/zinc/92/00/49/343920049.db2.gz SCMUAOPMNVQMNW-HZMBPMFUSA-N 1 0 290.323 1.940 20 5 CDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000598915991 343920135 /nfs/dbraw/zinc/92/01/35/343920135.db2.gz SCMUAOPMNVQMNW-YGRLFVJLSA-N 1 0 290.323 1.940 20 5 CDBDRO C[C@@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCCC[NH2+]1 ZINC000136159080 362305930 /nfs/dbraw/zinc/30/59/30/362305930.db2.gz OZDYVVUPYNCXAJ-AWEZNQCLSA-N 1 0 277.324 1.743 20 5 CDBDRO CCN(CC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000599603811 344100785 /nfs/dbraw/zinc/10/07/85/344100785.db2.gz JJGDVSDVNDHHLO-UHFFFAOYSA-N 1 0 266.301 1.716 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601567858 344193076 /nfs/dbraw/zinc/19/30/76/344193076.db2.gz OSZUXMQAPRCUGM-PHIMTYICSA-N 1 0 290.323 1.871 20 5 CDBDRO Cc1cc(N2CCN(C)C[C@H]2CO)c(F)cc1[N+](=O)[O-] ZINC000601979789 344306091 /nfs/dbraw/zinc/30/60/91/344306091.db2.gz MQVUMRHIGBTULD-JTQLQIEISA-N 1 0 283.303 1.155 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000602597614 344503480 /nfs/dbraw/zinc/50/34/80/344503480.db2.gz VZGXKVZIWMIQQO-GMSGAONNSA-N 1 0 267.260 1.296 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602589228 344478961 /nfs/dbraw/zinc/47/89/61/344478961.db2.gz FWWMQBYFFOZCTA-OCAPTIKFSA-N 1 0 267.310 1.233 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[NH2+]C1 ZINC000052093242 362402560 /nfs/dbraw/zinc/40/25/60/362402560.db2.gz PJWAXIHLNAYFNP-VIFPVBQESA-N 1 0 250.258 1.078 20 5 CDBDRO CO[C@@H](C)[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000536858475 282346911 /nfs/dbraw/zinc/34/69/11/282346911.db2.gz OCLSFETWNMEMHD-MNOVXSKESA-N 1 0 268.313 1.987 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000602796016 344586296 /nfs/dbraw/zinc/58/62/96/344586296.db2.gz JFAZRNFABIJFIQ-LLVKDONJSA-N 1 0 282.344 1.335 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H]1CCCOC1 ZINC000602833862 344615360 /nfs/dbraw/zinc/61/53/60/344615360.db2.gz WRBIALVIYAZQJV-LLVKDONJSA-N 1 0 268.317 1.211 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC(C)(C)CC[C@@H]1CO ZINC000602912345 344646345 /nfs/dbraw/zinc/64/63/45/344646345.db2.gz JIDPKEOPRRAEAH-GFCCVEGCSA-N 1 0 296.371 1.583 20 5 CDBDRO Cn1c(C(=O)N2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000603983820 344851305 /nfs/dbraw/zinc/85/13/05/344851305.db2.gz CCIXEUVGJGNLGA-UHFFFAOYSA-N 1 0 292.339 1.101 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000604485783 344895206 /nfs/dbraw/zinc/89/52/06/344895206.db2.gz GQKIUVAXDQWWNA-SECBINFHSA-N 1 0 268.317 1.003 20 5 CDBDRO C[N@@H+](CCc1ccccc1O)CCn1cc([N+](=O)[O-])cn1 ZINC000344165925 362547595 /nfs/dbraw/zinc/54/75/95/362547595.db2.gz LWYVWBPRTCGYNF-UHFFFAOYSA-N 1 0 290.323 1.671 20 5 CDBDRO CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC000159843841 362541756 /nfs/dbraw/zinc/54/17/56/362541756.db2.gz XHSVFJKTYSNRSS-ZDUSSCGKSA-N 1 0 277.324 1.333 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000129219586 345276998 /nfs/dbraw/zinc/27/69/98/345276998.db2.gz HJUXCDBQBIFPLA-JQWIXIFHSA-N 1 0 277.324 1.855 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(c2cccnc2[N+](=O)[O-])C1 ZINC000609595545 345822130 /nfs/dbraw/zinc/82/21/30/345822130.db2.gz DCNQXGYKLQNFDX-SNVBAGLBSA-N 1 0 250.302 1.378 20 5 CDBDRO C[C@H]([N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000610335769 346255207 /nfs/dbraw/zinc/25/52/07/346255207.db2.gz GZNHPLGTOXPUEF-CMPLNLGQSA-N 1 0 284.360 1.519 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(c3cccnc3[N+](=O)[O-])CC[C@H]21 ZINC000610807978 346444245 /nfs/dbraw/zinc/44/42/45/346444245.db2.gz CTXAOSALTMJVAI-VXGBXAGGSA-N 1 0 276.340 1.910 20 5 CDBDRO C[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000610897371 346482218 /nfs/dbraw/zinc/48/22/18/346482218.db2.gz UHJAQFSKUDDLNI-SLEUVZQESA-N 1 0 293.367 1.965 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC1 ZINC000273294046 192103274 /nfs/dbraw/zinc/10/32/74/192103274.db2.gz GBDUNTQJTXRFBR-JTQLQIEISA-N 1 0 252.270 1.040 20 5 CDBDRO Cc1cnc(N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000611299102 346740760 /nfs/dbraw/zinc/74/07/60/346740760.db2.gz OAHJPMUUPFPWNU-MNOVXSKESA-N 1 0 264.329 1.827 20 5 CDBDRO Cc1c(C(=O)N[C@H](C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000068473181 347564984 /nfs/dbraw/zinc/56/49/84/347564984.db2.gz VHZZYRDAQZSSHB-SNVBAGLBSA-N 1 0 279.340 1.973 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2CCN(C(C)=O)C2)cc1[N+](=O)[O-] ZINC000152964487 347641328 /nfs/dbraw/zinc/64/13/28/347641328.db2.gz GWFQNOBGYQMJOF-GFCCVEGCSA-N 1 0 293.323 1.314 20 5 CDBDRO CC[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122424796 347645145 /nfs/dbraw/zinc/64/51/45/347645145.db2.gz ZKFHFVCBFGLHHO-YPMHNXCESA-N 1 0 291.351 1.723 20 5 CDBDRO Cc1cnc(NC[C@@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000090692557 347817640 /nfs/dbraw/zinc/81/76/40/347817640.db2.gz RXXFRHCTRVRQPH-JTQLQIEISA-N 1 0 250.302 1.852 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000088147702 179556885 /nfs/dbraw/zinc/55/68/85/179556885.db2.gz CMVDPEYDRBJCEW-JTQLQIEISA-N 1 0 263.297 1.324 20 5 CDBDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000067413302 349024275 /nfs/dbraw/zinc/02/42/75/349024275.db2.gz NRLKXZNTFWPHBK-CQSZACIVSA-N 1 0 291.351 1.943 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CC[NH+](C)C ZINC000068468991 349068190 /nfs/dbraw/zinc/06/81/90/349068190.db2.gz MTWBXKOPPVEEFN-LLVKDONJSA-N 1 0 279.340 1.973 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(NCCN2CC[NH+](C)CC2)c1 ZINC000090788437 180041430 /nfs/dbraw/zinc/04/14/30/180041430.db2.gz LTDLKYDNNSVRRD-UHFFFAOYSA-N 1 0 294.355 1.263 20 5 CDBDRO CC[C@H]([NH2+][C@H](C)CC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000090918611 180062740 /nfs/dbraw/zinc/06/27/40/180062740.db2.gz NVUFRHTUPJAZLD-SKDRFNHKSA-N 1 0 265.313 1.899 20 5 CDBDRO COCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000108349571 186212616 /nfs/dbraw/zinc/21/26/16/186212616.db2.gz TUMDUPSSXYTQQA-UHFFFAOYSA-N 1 0 294.355 1.821 20 5 CDBDRO C[NH2+][C@@H](C)c1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000311589625 350696675 /nfs/dbraw/zinc/69/66/75/350696675.db2.gz GILCVRKKZOCUIX-VIFPVBQESA-N 1 0 261.285 1.515 20 5 CDBDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353470001 363032808 /nfs/dbraw/zinc/03/28/08/363032808.db2.gz HZNYCYXXEZXDTP-NOZJJQNGSA-N 1 0 295.339 1.593 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000125900766 351513879 /nfs/dbraw/zinc/51/38/79/351513879.db2.gz RTDRGDLOJFGRGP-MVWJERBFSA-N 1 0 292.339 1.133 20 5 CDBDRO CO[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000167358940 363172282 /nfs/dbraw/zinc/17/22/82/363172282.db2.gz UONCZRHLZRJWNR-GJZGRUSLSA-N 1 0 293.367 1.575 20 5 CDBDRO C[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000292245180 198214977 /nfs/dbraw/zinc/21/49/77/198214977.db2.gz DHSOMOJYORYEGM-NSHDSACASA-N 1 0 295.339 1.288 20 5 CDBDRO CCCc1n[nH]c(C(=O)NCC(C)(C)[NH+](C)C)c1[N+](=O)[O-] ZINC000154924368 188170826 /nfs/dbraw/zinc/17/08/26/188170826.db2.gz WPQQYNFGQIYYPG-UHFFFAOYSA-N 1 0 297.359 1.340 20 5 CDBDRO COc1cc(C(=O)N(C)[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000156708900 188277309 /nfs/dbraw/zinc/27/73/09/188277309.db2.gz UAHFKCQJSXLXGV-SNVBAGLBSA-N 1 0 279.296 1.037 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000158143193 188359779 /nfs/dbraw/zinc/35/97/79/188359779.db2.gz KZZAPFKUCOVCFO-JTQLQIEISA-N 1 0 297.742 1.740 20 5 CDBDRO C[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000065533459 363311298 /nfs/dbraw/zinc/31/12/98/363311298.db2.gz XCWPZCYKBGZILV-SNVBAGLBSA-N 1 0 292.339 1.391 20 5 CDBDRO Cc1c(NC(=O)[C@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000037029854 363315730 /nfs/dbraw/zinc/31/57/30/363315730.db2.gz QCUFPJNUEOGUSV-LLVKDONJSA-N 1 0 251.286 1.825 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000295288570 199441222 /nfs/dbraw/zinc/44/12/22/199441222.db2.gz UDCFZMYQVYWTPP-LLVKDONJSA-N 1 0 265.313 1.381 20 5 CDBDRO C[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000558747609 356044271 /nfs/dbraw/zinc/04/42/71/356044271.db2.gz HOBYDXLTEFYLQO-MRVPVSSYSA-N 1 0 283.332 1.024 20 5 CDBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000559043162 356082468 /nfs/dbraw/zinc/08/24/68/356082468.db2.gz GZMJTMSUMWMYQF-JTQLQIEISA-N 1 0 293.327 1.065 20 5 CDBDRO C[C@@H](CCCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000336813567 356273958 /nfs/dbraw/zinc/27/39/58/356273958.db2.gz CSLDHYTVJSGIQT-VIFPVBQESA-N 1 0 268.317 1.181 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000273590429 192219837 /nfs/dbraw/zinc/21/98/37/192219837.db2.gz HETRMTDNJNEVMR-JTQLQIEISA-N 1 0 265.317 1.529 20 5 CDBDRO CSCC[C@H](C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176249320 366298576 /nfs/dbraw/zinc/29/85/76/366298576.db2.gz BXWIWWJVPZGBFJ-JTQLQIEISA-N 1 0 272.374 1.865 20 5 CDBDRO CC[NH+](CC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000048391303 357181281 /nfs/dbraw/zinc/18/12/81/357181281.db2.gz XJCLNGAYMZMJAK-UHFFFAOYSA-N 1 0 251.286 1.536 20 5 CDBDRO C[NH2+][C@H]1CCN(c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000135058648 357312819 /nfs/dbraw/zinc/31/28/19/357312819.db2.gz YSWFZXWUWCZHGR-VIFPVBQESA-N 1 0 251.286 1.402 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+](C)C ZINC000181330210 357336041 /nfs/dbraw/zinc/33/60/41/357336041.db2.gz YIUMQWKTHLGVDK-UHFFFAOYSA-N 1 0 282.300 1.287 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000262161993 357432715 /nfs/dbraw/zinc/43/27/15/357432715.db2.gz YAUYRGORABJRBZ-AWEZNQCLSA-N 1 0 292.339 1.204 20 5 CDBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@H]21 ZINC000185200643 357520441 /nfs/dbraw/zinc/52/04/41/357520441.db2.gz MEDDOORJAUIFPP-AXTRIDKLSA-N 1 0 293.298 1.543 20 5 CDBDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000185776006 357575602 /nfs/dbraw/zinc/57/56/02/357575602.db2.gz MUMOARYNIWYARX-JTQLQIEISA-N 1 0 299.352 1.977 20 5 CDBDRO O=C1OCC[C@@]12CCCN2Cc1ccccc1[N+](=O)[O-] ZINC000186673459 357674503 /nfs/dbraw/zinc/67/45/03/357674503.db2.gz HQSMOQWIISPRGA-AWEZNQCLSA-N 1 0 276.292 1.876 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)C(C)C ZINC000092400561 357734098 /nfs/dbraw/zinc/73/40/98/357734098.db2.gz SNGVRXUVWKWIAE-LBPRGKRZSA-N 1 0 268.313 1.710 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000135237017 357801072 /nfs/dbraw/zinc/80/10/72/357801072.db2.gz KLUNMTGYVKYXBY-DGCLKSJQSA-N 1 0 291.351 1.723 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000135237054 357801396 /nfs/dbraw/zinc/80/13/96/357801396.db2.gz KLUNMTGYVKYXBY-YPMHNXCESA-N 1 0 291.351 1.723 20 5 CDBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000188059179 357840500 /nfs/dbraw/zinc/84/05/00/357840500.db2.gz AYJTWRXFOYVOJQ-UHFFFAOYSA-N 1 0 281.312 1.744 20 5 CDBDRO COc1cc(C[NH2+]C[C@@H]2CC[C@H](O)C2)c([N+](=O)[O-])cc1O ZINC000188853738 357945146 /nfs/dbraw/zinc/94/51/46/357945146.db2.gz SOJRQIMTXZTXGJ-KOLCDFICSA-N 1 0 296.323 1.560 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000216224194 291122180 /nfs/dbraw/zinc/12/21/80/291122180.db2.gz FVDQUZMVKYZXIT-JGVFFNPUSA-N 1 0 270.720 1.817 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000408099817 358008283 /nfs/dbraw/zinc/00/82/83/358008283.db2.gz NMOVOYXIPORYAO-NSHDSACASA-N 1 0 292.339 1.623 20 5 CDBDRO C[C@@H]([NH2+]CCNC(=O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000130860743 358315861 /nfs/dbraw/zinc/31/58/61/358315861.db2.gz HUCZTCDHHBTKJL-SNVBAGLBSA-N 1 0 277.324 1.772 20 5 CDBDRO O=[N+]([O-])c1cnn(CCN2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000584354025 366387876 /nfs/dbraw/zinc/38/78/76/366387876.db2.gz YXTFYBKHCYBKFT-KGLIPLIRSA-N 1 0 293.371 1.398 20 5 CDBDRO C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000132732502 358580006 /nfs/dbraw/zinc/58/00/06/358580006.db2.gz JGMGSMJIGCGLEU-QMMMGPOBSA-N 1 0 283.715 1.682 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000299385464 358761583 /nfs/dbraw/zinc/76/15/83/358761583.db2.gz PJGUMKJHLMJWJP-NSHDSACASA-N 1 0 294.355 1.773 20 5 CDBDRO COc1ccc(CC(=O)N[C@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000569339558 359226054 /nfs/dbraw/zinc/22/60/54/359226054.db2.gz KGQSYPCVQDJRHG-SNVBAGLBSA-N 1 0 295.339 1.390 20 5 CDBDRO COc1ccc(C[NH+]2CCC(CO)CC2)cc1[N+](=O)[O-] ZINC000048335232 359199900 /nfs/dbraw/zinc/19/99/00/359199900.db2.gz JDUDYTHZJKJHOT-UHFFFAOYSA-N 1 0 280.324 1.808 20 5 CDBDRO [NH3+]CC1(NC(=O)c2ccc([N+](=O)[O-])o2)CCCC1 ZINC000111831859 359267289 /nfs/dbraw/zinc/26/72/89/359267289.db2.gz SXPRXVAMZNPHAF-UHFFFAOYSA-N 1 0 253.258 1.189 20 5 CDBDRO Cc1sc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000153794919 237024574 /nfs/dbraw/zinc/02/45/74/237024574.db2.gz ATHYTKFBXPWPOH-YUMQZZPRSA-N 1 0 283.353 1.787 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000049840682 359503506 /nfs/dbraw/zinc/50/35/06/359503506.db2.gz AWMAWFSDIXBVCM-JTQLQIEISA-N 1 0 295.314 1.806 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000571937277 359681109 /nfs/dbraw/zinc/68/11/09/359681109.db2.gz QPMOIJUNJLCNIU-VXGBXAGGSA-N 1 0 279.340 1.785 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000050246318 359689436 /nfs/dbraw/zinc/68/94/36/359689436.db2.gz ZEDHMYUPFLSESI-SNVBAGLBSA-N 1 0 263.297 1.324 20 5 CDBDRO C[C@H](NC(=O)N(C)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000297503774 200212538 /nfs/dbraw/zinc/21/25/38/200212538.db2.gz GKOFDWCVXNHGPJ-NSHDSACASA-N 1 0 294.355 1.859 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000408468873 359815727 /nfs/dbraw/zinc/81/57/27/359815727.db2.gz RFEFOVUHYCGLLI-RISCZKNCSA-N 1 0 289.335 1.679 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000297672983 200259189 /nfs/dbraw/zinc/25/91/89/200259189.db2.gz GDLAHDNHZCRQMT-SECBINFHSA-N 1 0 279.300 1.063 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH2+]CCO2)c(F)c1 ZINC000134270416 359880651 /nfs/dbraw/zinc/88/06/51/359880651.db2.gz WDXJZHBULTWXAW-VIFPVBQESA-N 1 0 255.249 1.134 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000235375312 360068541 /nfs/dbraw/zinc/06/85/41/360068541.db2.gz XCQQPTNYBYLVEA-MNOVXSKESA-N 1 0 277.324 1.774 20 5 CDBDRO C[NH2+]CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000162836815 360534293 /nfs/dbraw/zinc/53/42/93/360534293.db2.gz NLSUZRFFFIPVRT-SECBINFHSA-N 1 0 251.286 1.300 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CC[C@@H](O)C2)cc1 ZINC000227700431 360599530 /nfs/dbraw/zinc/59/95/30/360599530.db2.gz RUONPKQBIRBNBK-GXTWGEPZSA-N 1 0 264.325 1.888 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000179003118 189161235 /nfs/dbraw/zinc/16/12/35/189161235.db2.gz BOHWVLZEYIDDOU-LLVKDONJSA-N 1 0 292.339 1.075 20 5 CDBDRO CNC(=O)CC[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000179409005 189192622 /nfs/dbraw/zinc/19/26/22/189192622.db2.gz FUALRHPBJBXBKU-UHFFFAOYSA-N 1 0 265.313 1.471 20 5 CDBDRO CC(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[NH+](C)C ZINC000345569253 361197143 /nfs/dbraw/zinc/19/71/43/361197143.db2.gz NIEJBLDYXPNBJZ-NSHDSACASA-N 1 0 296.371 1.639 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)[NH2+]1 ZINC000070076111 361237941 /nfs/dbraw/zinc/23/79/41/361237941.db2.gz KPGMZEVGVCKZPC-DTORHVGOSA-N 1 0 281.287 1.556 20 5 CDBDRO C[NH+](C)CC[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C(C)(C)C ZINC000160332087 361541949 /nfs/dbraw/zinc/54/19/49/361541949.db2.gz PWQPPKUVPYMYSV-SNVBAGLBSA-N 1 0 297.359 1.414 20 5 CDBDRO C[NH+](C)CC[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C(C)(C)C ZINC000160332217 361542512 /nfs/dbraw/zinc/54/25/12/361542512.db2.gz PWQPPKUVPYMYSV-JTQLQIEISA-N 1 0 297.359 1.414 20 5 CDBDRO Cc1sc(C(=O)N(C)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000179090630 294069525 /nfs/dbraw/zinc/06/95/25/294069525.db2.gz IRIOXCMRKCOFKZ-MRVPVSSYSA-N 1 0 269.326 1.399 20 5 CDBDRO C[C@H](C[S@](C)=O)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000168145962 363879524 /nfs/dbraw/zinc/87/95/24/363879524.db2.gz BOPLBZCBOOGQTN-VVVCHXIZSA-N 1 0 256.327 1.451 20 5 CDBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000345826263 364026471 /nfs/dbraw/zinc/02/64/71/364026471.db2.gz PYEFMVLNVNQUHN-RYUDHWBXSA-N 1 0 277.324 1.599 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1NC1C[NH2+]C1 ZINC000582295216 364082483 /nfs/dbraw/zinc/08/24/83/364082483.db2.gz GQBVBRAIBZYDBN-SMDDNHRTSA-N 1 0 275.352 1.867 20 5 CDBDRO Cc1ccnc(NCC[N@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000280326337 364049605 /nfs/dbraw/zinc/04/96/05/364049605.db2.gz UHIDNAUNBAZFSA-UHFFFAOYSA-N 1 0 262.313 1.972 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@]1(C)CCC[NH2+]C1 ZINC000129366893 364053392 /nfs/dbraw/zinc/05/33/92/364053392.db2.gz ORFRWTXIGODJDV-CYBMUJFWSA-N 1 0 281.360 1.921 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000268200661 364444414 /nfs/dbraw/zinc/44/44/14/364444414.db2.gz OOAICUYVPGGOOW-ZWNOBZJWSA-N 1 0 289.335 1.807 20 5 CDBDRO Cc1ccc(C[NH2+]CCN2CCOCC2)cc1[N+](=O)[O-] ZINC000034994942 364501943 /nfs/dbraw/zinc/50/19/43/364501943.db2.gz GQTGPNLMHKWMFO-UHFFFAOYSA-N 1 0 279.340 1.325 20 5 CDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cnn(C)c1 ZINC000174839366 364581488 /nfs/dbraw/zinc/58/14/88/364581488.db2.gz FDPBDFWSMUSYDQ-UHFFFAOYSA-N 1 0 278.316 1.047 20 5 CDBDRO CC[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000264324124 365014874 /nfs/dbraw/zinc/01/48/74/365014874.db2.gz AKGRMVZEVFTJPT-CQSZACIVSA-N 1 0 279.340 1.488 20 5 CDBDRO O=[N+]([O-])c1cccnc1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000110490124 365051259 /nfs/dbraw/zinc/05/12/59/365051259.db2.gz LBJPOVMQVYBFOY-MNOVXSKESA-N 1 0 278.312 1.265 20 5 CDBDRO NC(=O)c1ccc(NCC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000110798615 365296515 /nfs/dbraw/zinc/29/65/15/365296515.db2.gz MNRPYOMWMXJKMH-SECBINFHSA-N 1 0 278.312 1.105 20 5 CDBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)C1CC([NH3+])C1 ZINC000384713135 365395637 /nfs/dbraw/zinc/39/56/37/365395637.db2.gz FAVZQHRDAUMMQZ-UHFFFAOYSA-N 1 0 253.277 1.655 20 5 CDBDRO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000270871996 366941414 /nfs/dbraw/zinc/94/14/14/366941414.db2.gz JIBJUMBNILWFCC-WCQYABFASA-N 1 0 250.298 1.798 20 5 CDBDRO CC[N@H+](CCCO)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270714696 366925800 /nfs/dbraw/zinc/92/58/00/366925800.db2.gz JDWDDBVXRVARTH-LLVKDONJSA-N 1 0 295.339 1.626 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000152764852 366933149 /nfs/dbraw/zinc/93/31/49/366933149.db2.gz AZRLGXOPTLTNFZ-LLVKDONJSA-N 1 0 292.339 1.418 20 5 CDBDRO O=C(NC1CC[NH2+]CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000269120805 367133497 /nfs/dbraw/zinc/13/34/97/367133497.db2.gz SFVJJXHUAIPEAP-UHFFFAOYSA-N 1 0 283.715 1.730 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000094340199 367162039 /nfs/dbraw/zinc/16/20/39/367162039.db2.gz FFWHYATXGKMYJE-SKDRFNHKSA-N 1 0 263.297 1.404 20 5 CDBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[NH2+]1 ZINC000130510300 367227223 /nfs/dbraw/zinc/22/72/23/367227223.db2.gz IWQZEAAAMKBRGX-LLVKDONJSA-N 1 0 293.323 1.232 20 5 CDBDRO Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000161176272 367479227 /nfs/dbraw/zinc/47/92/27/367479227.db2.gz BHZVALCRUSKMMV-GHMZBOCLSA-N 1 0 277.324 1.903 20 5 CDBDRO C[C@@H](NC(=O)NC[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000417144679 242336439 /nfs/dbraw/zinc/33/64/39/242336439.db2.gz VWYIDBRXQKZBFG-PWSUYJOCSA-N 1 0 292.339 1.707 20 5 CDBDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000272623022 367784290 /nfs/dbraw/zinc/78/42/90/367784290.db2.gz VABKVNGNVWJDCY-ZJUUUORDSA-N 1 0 268.288 1.937 20 5 CDBDRO C[NH2+]CCCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000418279446 242887277 /nfs/dbraw/zinc/88/72/77/242887277.db2.gz PGIGSLSFKCOSEG-UHFFFAOYSA-N 1 0 280.328 1.346 20 5 CDBDRO O=C(N[C@@H]1CC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418375337 243000434 /nfs/dbraw/zinc/00/04/34/243000434.db2.gz HLSVFHZFSXHCIQ-GFCCVEGCSA-N 1 0 290.323 1.024 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000418512939 243164040 /nfs/dbraw/zinc/16/40/40/243164040.db2.gz LSBONOPXZSCJCO-SECBINFHSA-N 1 0 280.328 1.476 20 5 CDBDRO CC(C)(NC(=O)NCC1C[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000418482457 243129978 /nfs/dbraw/zinc/12/99/78/243129978.db2.gz DSKFQNNSQQCNTC-UHFFFAOYSA-N 1 0 292.339 1.349 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000089107386 368974756 /nfs/dbraw/zinc/97/47/56/368974756.db2.gz KDXQUQCOCLLBFC-YPMHNXCESA-N 1 0 277.324 1.842 20 5 CDBDRO NC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000420355218 244132965 /nfs/dbraw/zinc/13/29/65/244132965.db2.gz BWLFTOWZSBXOAC-CYBMUJFWSA-N 1 0 281.360 1.289 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000420374430 244168470 /nfs/dbraw/zinc/16/84/70/244168470.db2.gz RZGUHYHJYNDOOJ-LALPHHSUSA-N 1 0 293.367 1.950 20 5 CDBDRO [NH3+]C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000420394202 244194382 /nfs/dbraw/zinc/19/43/82/244194382.db2.gz RJQUZRNCPWCAON-AWEZNQCLSA-N 1 0 295.339 1.023 20 5 CDBDRO C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000420381593 244177894 /nfs/dbraw/zinc/17/78/94/244177894.db2.gz RULXVZPOPDJQFH-GHMZBOCLSA-N 1 0 265.313 1.253 20 5 CDBDRO C[NH2+]CCCN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000420383095 244181404 /nfs/dbraw/zinc/18/14/04/244181404.db2.gz BIOATMKEIRKCFE-LLVKDONJSA-N 1 0 294.355 1.463 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420578043 244264614 /nfs/dbraw/zinc/26/46/14/244264614.db2.gz CEFVDJKJKBIQMA-JTQLQIEISA-N 1 0 292.339 1.590 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000170802731 369272984 /nfs/dbraw/zinc/27/29/84/369272984.db2.gz CQCKPWLWJYRMOU-NSHDSACASA-N 1 0 292.339 1.464 20 5 CDBDRO CC[C@@H](NC[C@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330889417 203359180 /nfs/dbraw/zinc/35/91/80/203359180.db2.gz VEQMYJRFEGSETG-HUUCEWRRSA-N 1 0 293.367 1.702 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000299485046 369774044 /nfs/dbraw/zinc/77/40/44/369774044.db2.gz DOISPNOOTNCSKF-GFCCVEGCSA-N 1 0 263.297 1.305 20 5 CDBDRO [NH3+]CCCCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001580295192 1172395937 /nfs/dbraw/zinc/39/59/37/1172395937.db2.gz VAFSTVSRWYROTR-UHFFFAOYSA-N 1 0 289.694 1.856 20 5 CDBDRO Cc1cnc(N[C@H](CO)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000295732023 370597551 /nfs/dbraw/zinc/59/75/51/370597551.db2.gz WEPAKCZECOVTNM-LBPRGKRZSA-N 1 0 294.355 1.557 20 5 CDBDRO CCC[NH2+][C@H](C)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000295703353 370577936 /nfs/dbraw/zinc/57/79/36/370577936.db2.gz MMFHXQPMTVNLCA-MRVPVSSYSA-N 1 0 291.311 1.798 20 5 CDBDRO Cc1c(CC(=O)N2CCC(C[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000422714903 245172699 /nfs/dbraw/zinc/17/26/99/245172699.db2.gz LOUJXVKYVMZVJR-UHFFFAOYSA-N 1 0 291.351 1.643 20 5 CDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc([N+](=O)[O-])cc1F ZINC000368177899 371800033 /nfs/dbraw/zinc/80/00/33/371800033.db2.gz ILOPRNSODQBXHX-YUMQZZPRSA-N 1 0 285.250 1.164 20 5 CDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000266282265 372022391 /nfs/dbraw/zinc/02/23/91/372022391.db2.gz AJFIZGCWZOUXOO-LLVKDONJSA-N 1 0 294.355 1.727 20 5 CDBDRO CNC(=O)c1ccc(N2C[C@@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000212662712 373021860 /nfs/dbraw/zinc/02/18/60/373021860.db2.gz RUVCFMWFZSRQLR-VHSXEESVSA-N 1 0 292.339 1.128 20 5 CDBDRO Cc1cc(=O)n(C[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000187694718 373222150 /nfs/dbraw/zinc/22/21/50/373222150.db2.gz WCNHXMDMFJKIOL-JTQLQIEISA-N 1 0 251.286 1.017 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000091555693 374035769 /nfs/dbraw/zinc/03/57/69/374035769.db2.gz ZNYYOVUKBWESFE-ONGXEEELSA-N 1 0 281.360 1.920 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423729752 246009086 /nfs/dbraw/zinc/00/90/86/246009086.db2.gz VOFVKHSCLOWYFO-LLVKDONJSA-N 1 0 291.351 1.941 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000311457477 374255182 /nfs/dbraw/zinc/25/51/82/374255182.db2.gz KYDTYYKETLCVGL-GFVADAIESA-N 1 0 263.297 1.462 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000113513609 374260742 /nfs/dbraw/zinc/26/07/42/374260742.db2.gz ADNBJJOMCMWTHQ-ZDUSSCGKSA-N 1 0 293.367 1.857 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1 ZINC000368636680 374322109 /nfs/dbraw/zinc/32/21/09/374322109.db2.gz VVQGYNMGBOADOE-WDNDVIMCSA-N 1 0 278.308 1.144 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368647968 374322210 /nfs/dbraw/zinc/32/22/10/374322210.db2.gz PONZUMKXBOLFMO-RYUDHWBXSA-N 1 0 295.314 1.344 20 5 CDBDRO CC(C)(C[NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423846915 246140231 /nfs/dbraw/zinc/14/02/31/246140231.db2.gz OLBKHGLAJPDRFR-UHFFFAOYSA-N 1 0 285.731 1.849 20 5 CDBDRO Cc1c([C@@H](C)NC[C@H]2C[NH2+]CCN2C)cccc1[N+](=O)[O-] ZINC000423502769 374384783 /nfs/dbraw/zinc/38/47/83/374384783.db2.gz FIWQFWVJZCOYKC-CHWSQXEVSA-N 1 0 292.383 1.457 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423587529 374390018 /nfs/dbraw/zinc/39/00/18/374390018.db2.gz FXSRONHLLGYZBH-AOOOYVTPSA-N 1 0 290.323 1.144 20 5 CDBDRO CN(Cc1c([N+](=O)[O-])ncn1C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375750467 374512497 /nfs/dbraw/zinc/51/24/97/374512497.db2.gz MKGKIFJLRWDMEQ-FOSCPWQOSA-N 1 0 293.371 1.385 20 5 CDBDRO CN(CC[NH3+])C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000424011962 246288761 /nfs/dbraw/zinc/28/87/61/246288761.db2.gz SBZOCJHOVHZKJZ-UHFFFAOYSA-N 1 0 271.704 1.208 20 5 CDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCCCC[NH2+]1 ZINC000376335811 374552664 /nfs/dbraw/zinc/55/26/64/374552664.db2.gz UFMWYKVWGUXUSS-ZDUSSCGKSA-N 1 0 291.351 1.786 20 5 CDBDRO CN(CC[NH3+])C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000424001685 246281383 /nfs/dbraw/zinc/28/13/83/246281383.db2.gz HRRRSYNXTARWSW-UHFFFAOYSA-N 1 0 269.326 1.104 20 5 CDBDRO C[C@@H]1CC2(CN1C(=O)c1cc([N+](=O)[O-])c[nH]1)CC[NH2+]CC2 ZINC000424220744 246394627 /nfs/dbraw/zinc/39/46/27/246394627.db2.gz FNOTXBYXNZVPSU-SNVBAGLBSA-N 1 0 292.339 1.527 20 5 CDBDRO NC(=O)C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000377603661 374612691 /nfs/dbraw/zinc/61/26/91/374612691.db2.gz HMMILZIZGPDLIO-NSHDSACASA-N 1 0 293.323 1.171 20 5 CDBDRO C[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[NH+](C)C ZINC000299258923 374652676 /nfs/dbraw/zinc/65/26/76/374652676.db2.gz GGWLPQYGBDNZPL-SECBINFHSA-N 1 0 290.323 1.756 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000070172829 374654318 /nfs/dbraw/zinc/65/43/18/374654318.db2.gz NLPHXALZEHOCOF-IUCAKERBSA-N 1 0 267.285 1.387 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[C@@H](C)[NH3+] ZINC000070315656 374660735 /nfs/dbraw/zinc/66/07/35/374660735.db2.gz OYEHGNPAVOXLHV-SECBINFHSA-N 1 0 251.286 1.969 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000274478935 374674252 /nfs/dbraw/zinc/67/42/52/374674252.db2.gz ZETSQVDUJXNOBR-SNVBAGLBSA-N 1 0 280.328 1.250 20 5 CDBDRO COc1cc(C[NH2+]CCC(C)(C)O)c([N+](=O)[O-])cc1OC ZINC000274779874 374684090 /nfs/dbraw/zinc/68/40/90/374684090.db2.gz VGBPYVAKQMVQGI-UHFFFAOYSA-N 1 0 298.339 1.863 20 5 CDBDRO O=C(N[C@H]1CC[NH2+]C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000093973144 374799581 /nfs/dbraw/zinc/79/95/81/374799581.db2.gz KUJBQSOIKFNSBD-ZETCQYMHSA-N 1 0 269.688 1.340 20 5 CDBDRO C[C@]1(O)CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000280143489 374983964 /nfs/dbraw/zinc/98/39/64/374983964.db2.gz REFVGCFWBYSEOR-GJZGRUSLSA-N 1 0 294.351 1.865 20 5 CDBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000280300773 374990649 /nfs/dbraw/zinc/99/06/49/374990649.db2.gz OXVPZNHJUROANI-IUODEOHRSA-N 1 0 292.335 1.975 20 5 CDBDRO COCC[C@@H](CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000282381704 375082300 /nfs/dbraw/zinc/08/23/00/375082300.db2.gz XKRNDTCRDJBEAN-BPJJOFIESA-N 1 0 280.324 1.595 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000170977806 375146115 /nfs/dbraw/zinc/14/61/15/375146115.db2.gz FFENUJDIARGOHP-VIFPVBQESA-N 1 0 283.353 1.728 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000162039115 375262161 /nfs/dbraw/zinc/26/21/61/375262161.db2.gz ZEFDNZPBAOHILW-SFYZADRCSA-N 1 0 253.258 1.188 20 5 CDBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000352887051 375550437 /nfs/dbraw/zinc/55/04/37/375550437.db2.gz IXYXDCQZJWYUOV-NWDGAFQWSA-N 1 0 296.371 1.844 20 5 CDBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132744753 375583708 /nfs/dbraw/zinc/58/37/08/375583708.db2.gz BPGRKCQFJCNEIK-LLVKDONJSA-N 1 0 283.303 1.837 20 5 CDBDRO C[C@@H](O)CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000354728718 375745783 /nfs/dbraw/zinc/74/57/83/375745783.db2.gz IHLWJUSZDZHNPE-VXGBXAGGSA-N 1 0 294.355 1.637 20 5 CDBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000355198256 375782132 /nfs/dbraw/zinc/78/21/32/375782132.db2.gz NJPOSSLTHNOIMW-RYWCDNDXSA-N 1 0 275.308 1.428 20 5 CDBDRO Cc1ccc(NC(=O)[C@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000133729651 375817633 /nfs/dbraw/zinc/81/76/33/375817633.db2.gz HEMWTLFDZWCYDU-RKDXNWHRSA-N 1 0 251.286 1.825 20 5 CDBDRO Cc1c(C[NH+]2CCC(O)CC2)cccc1[N+](=O)[O-] ZINC000048335002 375861631 /nfs/dbraw/zinc/86/16/31/375861631.db2.gz PQZDXLQHNGKVET-UHFFFAOYSA-N 1 0 250.298 1.860 20 5 CDBDRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000218772534 375879236 /nfs/dbraw/zinc/87/92/36/375879236.db2.gz DAPDXTFEZORUNO-JBLDHEPKSA-N 1 0 270.333 1.176 20 5 CDBDRO C[N@H+]1C[C@H]2CN(CCc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000193628655 375881697 /nfs/dbraw/zinc/88/16/97/375881697.db2.gz DJQFVKRGKQQVIP-OKILXGFUSA-N 1 0 275.352 1.631 20 5 CDBDRO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C1CC1 ZINC000357433089 375908678 /nfs/dbraw/zinc/90/86/78/375908678.db2.gz CPWRDUMRRPUSOH-QWHCGFSZSA-N 1 0 294.355 1.273 20 5 CDBDRO C[N@@H+]1CC[C@](O)(CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000358303164 375959474 /nfs/dbraw/zinc/95/94/74/375959474.db2.gz KBTCMNTWQMQVDS-NSHDSACASA-N 1 0 286.719 1.122 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358395561 375963701 /nfs/dbraw/zinc/96/37/01/375963701.db2.gz OAZWCMVIXOGXGE-JTQLQIEISA-N 1 0 297.330 1.733 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCCN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435231489 248158441 /nfs/dbraw/zinc/15/84/41/248158441.db2.gz WLGGQRIJKHLYSG-ZDUSSCGKSA-N 1 0 291.351 1.800 20 5 CDBDRO O=[N+]([O-])c1cccc(OCCN(C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000435246666 248162735 /nfs/dbraw/zinc/16/27/35/248162735.db2.gz RVVLTJHCJWUPEO-AWEZNQCLSA-N 1 0 291.351 1.800 20 5 CDBDRO O=C(NCC1=CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1F ZINC000189293565 377227430 /nfs/dbraw/zinc/22/74/30/377227430.db2.gz GVYWRCNJNNCJCY-UHFFFAOYSA-N 1 0 279.271 1.383 20 5 CDBDRO [NH3+]CCCN(CC1CCCC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000357387789 377230883 /nfs/dbraw/zinc/23/08/83/377230883.db2.gz JLYAGVZGXNQJCH-UHFFFAOYSA-N 1 0 294.355 1.904 20 5 CDBDRO Cc1cc(C(=O)NCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000016503200 377815337 /nfs/dbraw/zinc/81/53/37/377815337.db2.gz BAPDTYNUVZYMAH-UHFFFAOYSA-N 1 0 277.324 1.729 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H]2CCSC2)c1 ZINC000278569989 194049424 /nfs/dbraw/zinc/04/94/24/194049424.db2.gz XGOOCTCCCUJOAU-SECBINFHSA-N 1 0 256.331 1.134 20 5 CDBDRO CCOC1CC(O)(C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000444008311 250072848 /nfs/dbraw/zinc/07/28/48/250072848.db2.gz KEENBFIUEXXLCX-UHFFFAOYSA-N 1 0 286.353 1.676 20 5 CDBDRO COc1cccc(C(=O)N[C@@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000444269828 250113088 /nfs/dbraw/zinc/11/30/88/250113088.db2.gz OPXNNJHBWQRFMZ-JTQLQIEISA-N 1 0 295.339 1.673 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CC[NH2+]CC1 ZINC000041031572 379291916 /nfs/dbraw/zinc/29/19/16/379291916.db2.gz DIQZQUVAISVXKP-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO CCC[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000246650026 379623809 /nfs/dbraw/zinc/62/38/09/379623809.db2.gz VEQCZQZQOLQFJT-GXTWGEPZSA-N 1 0 296.371 1.664 20 5 CDBDRO C[C@H](O)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449154497 250724895 /nfs/dbraw/zinc/72/48/95/250724895.db2.gz NNDCRQOGSNSGLN-QWRGUYRKSA-N 1 0 252.314 1.886 20 5 CDBDRO CC[NH+]1CCC(N(C)c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000450242570 251189859 /nfs/dbraw/zinc/18/98/59/251189859.db2.gz LRNGUHPJBQTJMO-UHFFFAOYSA-N 1 0 279.344 1.614 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000289136824 197243870 /nfs/dbraw/zinc/24/38/70/197243870.db2.gz FIZQIZMKQUXYQX-MGCOHNPYSA-N 1 0 280.328 1.418 20 5 CDBDRO C[C@@H](O)CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450570521 251344003 /nfs/dbraw/zinc/34/40/03/251344003.db2.gz PFQWZQOHYJRNQK-MNOVXSKESA-N 1 0 280.328 1.247 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000453376961 252308891 /nfs/dbraw/zinc/30/88/91/252308891.db2.gz VJFMXSMOOVWAOT-ZMLRMANQSA-N 1 0 277.324 1.899 20 5 CDBDRO C[N@H+](CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000491492266 253084822 /nfs/dbraw/zinc/08/48/22/253084822.db2.gz LMIYRPSPYFDRJZ-YVMONPNESA-N 1 0 289.335 1.818 20 5 CDBDRO C[C@@H]1C[N@H+](C)CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491577327 253091930 /nfs/dbraw/zinc/09/19/30/253091930.db2.gz VMGQIDZVJHAZNT-QDZRJHCZSA-N 1 0 289.335 1.771 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3nnnn3CC2)cc1 ZINC000421397045 285115199 /nfs/dbraw/zinc/11/51/99/285115199.db2.gz KXFOYGVLSJRWAY-LLVKDONJSA-N 1 0 288.311 1.076 20 5 CDBDRO C[C@@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000492920047 253325949 /nfs/dbraw/zinc/32/59/49/253325949.db2.gz HSPNSEOGKPEWPW-GUOLPTJISA-N 1 0 291.351 1.922 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@@H]2CCCNC2)n1 ZINC000423357956 285169566 /nfs/dbraw/zinc/16/95/66/285169566.db2.gz MRLYJRRUBZJRKM-UPJWGTAASA-N 1 0 293.371 1.617 20 5 CDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000288579252 197118584 /nfs/dbraw/zinc/11/85/84/197118584.db2.gz XHSVRKREFDMEPK-NXEZZACHSA-N 1 0 293.327 1.017 20 5 CDBDRO CC[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000288282825 197043569 /nfs/dbraw/zinc/04/35/69/197043569.db2.gz GKQYKFHIDAZIBS-GFCCVEGCSA-N 1 0 291.351 1.690 20 5 CDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261558654 390473690 /nfs/dbraw/zinc/47/36/90/390473690.db2.gz FSSRBQLIBAWKNW-LLVKDONJSA-N 1 0 265.313 1.698 20 5 CDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000106885171 390559231 /nfs/dbraw/zinc/55/92/31/390559231.db2.gz KWEIWVUMJUWFLN-ZDUSSCGKSA-N 1 0 250.298 1.858 20 5 CDBDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000451484688 390626595 /nfs/dbraw/zinc/62/65/95/390626595.db2.gz HJATYIHVGNTVMQ-ZWNOBZJWSA-N 1 0 282.344 1.622 20 5 CDBDRO C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@@H+](C2CC2)C1 ZINC000451080739 390595825 /nfs/dbraw/zinc/59/58/25/390595825.db2.gz BWFPMHIPRWBXQX-LBPRGKRZSA-N 1 0 293.371 1.207 20 5 CDBDRO CCOc1cccc(N2CCO[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000165863559 390840250 /nfs/dbraw/zinc/84/02/50/390840250.db2.gz MCJAAWPDTHBPLY-JTQLQIEISA-N 1 0 281.312 1.157 20 5 CDBDRO C[C@@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163997601 390941586 /nfs/dbraw/zinc/94/15/86/390941586.db2.gz HHOBDBVHWMSZMI-KOLCDFICSA-N 1 0 292.339 1.115 20 5 CDBDRO C[C@H]1CC[N@H+](C)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000344446291 390990752 /nfs/dbraw/zinc/99/07/52/390990752.db2.gz ZQHZDLLQWJTMCY-JTQLQIEISA-N 1 0 250.302 1.520 20 5 CDBDRO O=[N+]([O-])c1cccc(CN2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000299968748 390995159 /nfs/dbraw/zinc/99/51/59/390995159.db2.gz AVCDMIAHGPVVPW-GXTWGEPZSA-N 1 0 261.325 1.779 20 5 CDBDRO COC(=O)[C@@]1(C)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000412065328 391103631 /nfs/dbraw/zinc/10/36/31/391103631.db2.gz KQIOORJPTGXXNM-ZDUSSCGKSA-N 1 0 296.327 1.066 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000415648686 391470035 /nfs/dbraw/zinc/47/00/35/391470035.db2.gz CGYCXHZLCWSEQH-VIFPVBQESA-N 1 0 294.311 1.477 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415636662 391470422 /nfs/dbraw/zinc/47/04/22/391470422.db2.gz YCDOHHPDSJSNMS-ZCFIWIBFSA-N 1 0 256.237 1.203 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094339343 391471205 /nfs/dbraw/zinc/47/12/05/391471205.db2.gz YQWBXEBGWPEUEV-MFKMUULPSA-N 1 0 277.324 1.713 20 5 CDBDRO CC(C)C(=O)NCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449065524 391676927 /nfs/dbraw/zinc/67/69/27/391676927.db2.gz ZQRVBYNZBJJTFS-LBPRGKRZSA-N 1 0 293.367 1.888 20 5 CDBDRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000184796241 391750928 /nfs/dbraw/zinc/75/09/28/391750928.db2.gz NMOAFCIQMBZVPA-VXGBXAGGSA-N 1 0 277.324 1.729 20 5 CDBDRO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000190891845 130157393 /nfs/dbraw/zinc/15/73/93/130157393.db2.gz AKMZNZLODATKNV-NEPJUHHUSA-N 1 0 280.324 1.534 20 5 CDBDRO C[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000574179266 391769698 /nfs/dbraw/zinc/76/96/98/391769698.db2.gz DPFPMDFALWJGQQ-GHMZBOCLSA-N 1 0 292.339 1.487 20 5 CDBDRO C[NH+](C)C1(CNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000416294423 391983112 /nfs/dbraw/zinc/98/31/12/391983112.db2.gz YARPNKFVRUIPIS-UHFFFAOYSA-N 1 0 277.324 1.348 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000320788715 392002431 /nfs/dbraw/zinc/00/24/31/392002431.db2.gz FQSJBOOXRNJFJO-RKDXNWHRSA-N 1 0 266.301 1.842 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000193556232 130632098 /nfs/dbraw/zinc/63/20/98/130632098.db2.gz FQPAUXUFENSHLZ-GHMZBOCLSA-N 1 0 292.339 1.263 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC([NH+](C)C)CC1 ZINC000192490997 392089913 /nfs/dbraw/zinc/08/99/13/392089913.db2.gz DVRAOGHCZWCXND-UHFFFAOYSA-N 1 0 281.360 1.650 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000592213461 392095664 /nfs/dbraw/zinc/09/56/64/392095664.db2.gz PIGJWGOFTVRJLL-GHMZBOCLSA-N 1 0 294.355 1.562 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000592213561 392095768 /nfs/dbraw/zinc/09/57/68/392095768.db2.gz UQEOWAHTAGLOSR-VHSXEESVSA-N 1 0 280.328 1.520 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000235719357 130953793 /nfs/dbraw/zinc/95/37/93/130953793.db2.gz ABDSTLBOISGQBR-JAWJWVIGSA-N 1 0 289.335 1.865 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000237242273 131017158 /nfs/dbraw/zinc/01/71/58/131017158.db2.gz NSEFTJLYPQYACY-SECBINFHSA-N 1 0 279.296 1.085 20 5 CDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CC[NH2+]C1 ZINC000237257613 131018179 /nfs/dbraw/zinc/01/81/79/131018179.db2.gz RRHSPGIGGIIFBO-VIFPVBQESA-N 1 0 297.742 1.816 20 5 CDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([NH3+])C1 ZINC000237356129 131025460 /nfs/dbraw/zinc/02/54/60/131025460.db2.gz QCHUXIFCKZLPLX-ZJUUUORDSA-N 1 0 295.364 1.635 20 5 CDBDRO Cc1sc(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000237473540 131033859 /nfs/dbraw/zinc/03/38/59/131033859.db2.gz CITPOSUKBVYRIR-HTQZYQBOSA-N 1 0 283.353 1.787 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000237992648 131071427 /nfs/dbraw/zinc/07/14/27/131071427.db2.gz SJAPAYVVZBADMC-GWCFXTLKSA-N 1 0 293.323 1.217 20 5 CDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H](C)O ZINC000245799869 131089844 /nfs/dbraw/zinc/08/98/44/131089844.db2.gz PETHYBJMNMLEFF-VHSXEESVSA-N 1 0 281.312 1.234 20 5 CDBDRO COC(=O)[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000251857594 131131392 /nfs/dbraw/zinc/13/13/92/131131392.db2.gz SDHUTOIPUUVMMX-BXUZGUMPSA-N 1 0 292.335 1.878 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000261581773 131153764 /nfs/dbraw/zinc/15/37/64/131153764.db2.gz GGIFRZIZJSKNGT-FYBVGQRMSA-N 1 0 266.301 1.039 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000261711033 131163353 /nfs/dbraw/zinc/16/33/53/131163353.db2.gz PCZYRTJGXHJROV-STQMWFEESA-N 1 0 289.335 1.727 20 5 CDBDRO O=C(CC[C@@H]1CC[NH2+]C1)NCCc1ccccc1[N+](=O)[O-] ZINC000261889320 131175854 /nfs/dbraw/zinc/17/58/54/131175854.db2.gz SWAGUOXGXNMWFC-GFCCVEGCSA-N 1 0 291.351 1.643 20 5 CDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1CCC[NH2+]C1 ZINC000261995710 131182391 /nfs/dbraw/zinc/18/23/91/131182391.db2.gz NRWPEQRVYAVDKP-UWVGGRQHSA-N 1 0 292.339 1.295 20 5 CDBDRO Cc1sc(C(=O)NC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000262148912 131194625 /nfs/dbraw/zinc/19/46/25/131194625.db2.gz LGBGHNWNEPTBGA-UHFFFAOYSA-N 1 0 269.326 1.447 20 5 CDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000262229079 131203228 /nfs/dbraw/zinc/20/32/28/131203228.db2.gz QEHXVJDPIYFCLB-CYBMUJFWSA-N 1 0 280.328 1.280 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262749344 131258549 /nfs/dbraw/zinc/25/85/49/131258549.db2.gz JTJHSMCIOQGSGV-QPUJVOFHSA-N 1 0 297.742 1.976 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000262758364 131258972 /nfs/dbraw/zinc/25/89/72/131258972.db2.gz HZQOJNTXCLACHV-WDEREUQCSA-N 1 0 293.323 1.182 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000262801701 131263026 /nfs/dbraw/zinc/26/30/26/131263026.db2.gz FEKBVBDGZLQBPV-SCZZXKLOSA-N 1 0 278.312 1.047 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCCC[NH+](C)C ZINC000523655368 392892414 /nfs/dbraw/zinc/89/24/14/392892414.db2.gz MKKBUDHVFKBQCC-UHFFFAOYSA-N 1 0 268.317 1.005 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@@H](F)C2)c1 ZINC000521427476 392866507 /nfs/dbraw/zinc/86/65/07/392866507.db2.gz FHTWGDSMXNBSHU-NQBHXWOUSA-N 1 0 298.314 1.815 20 5 CDBDRO CC(C)[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CO ZINC000421001946 392926209 /nfs/dbraw/zinc/92/62/09/392926209.db2.gz QGIOAIVPSQFZAJ-CQSZACIVSA-N 1 0 282.340 1.201 20 5 CDBDRO COCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000268450009 132010844 /nfs/dbraw/zinc/01/08/44/132010844.db2.gz FOVSRRYIZOWUFB-LLVKDONJSA-N 1 0 280.328 1.431 20 5 CDBDRO CNC(=O)CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000268877666 132081802 /nfs/dbraw/zinc/08/18/02/132081802.db2.gz ZCDYTYXXKZBOGY-SNVBAGLBSA-N 1 0 265.313 1.772 20 5 CDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000269139509 132119689 /nfs/dbraw/zinc/11/96/89/132119689.db2.gz YDHWVBQIXOFMLA-VIFPVBQESA-N 1 0 297.742 1.864 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000429970529 393089341 /nfs/dbraw/zinc/08/93/41/393089341.db2.gz JUTKXYWZRMGIFR-GFCCVEGCSA-N 1 0 293.323 1.362 20 5 CDBDRO CC[NH+](CC)CCCCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000530646422 393054011 /nfs/dbraw/zinc/05/40/11/393054011.db2.gz PLZQXLQYRDEVIS-UHFFFAOYSA-N 1 0 296.371 1.785 20 5 CDBDRO C[NH+](C)[C@@]1(CNc2ncc([N+](=O)[O-])s2)CCSC1 ZINC000282006581 393167217 /nfs/dbraw/zinc/16/72/17/393167217.db2.gz UROZLNJQBPJCPN-SNVBAGLBSA-N 1 0 288.398 1.901 20 5 CDBDRO CCCNC(=O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449057771 393129616 /nfs/dbraw/zinc/12/96/16/393129616.db2.gz DWKCMWQRMROWIT-LLVKDONJSA-N 1 0 279.340 1.642 20 5 CDBDRO COCCOCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449099475 393129782 /nfs/dbraw/zinc/12/97/82/393129782.db2.gz TXXDXCMXDGVIHD-GFCCVEGCSA-N 1 0 282.340 1.778 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NCC1CC1 ZINC000449227830 393131126 /nfs/dbraw/zinc/13/11/26/393131126.db2.gz QWIVUKRGEKZGNK-LLVKDONJSA-N 1 0 291.351 1.642 20 5 CDBDRO COC[C@H](CO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449298274 393133412 /nfs/dbraw/zinc/13/34/12/393133412.db2.gz JCNZNLCWALDGFL-PWSUYJOCSA-N 1 0 268.313 1.123 20 5 CDBDRO CCc1ccc(C(=O)N[C@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000449600162 393135318 /nfs/dbraw/zinc/13/53/18/393135318.db2.gz IWLBEPDSJJCGQA-DTWKUNHWSA-N 1 0 265.313 1.623 20 5 CDBDRO Nc1c(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000449641771 393137368 /nfs/dbraw/zinc/13/73/68/393137368.db2.gz FCXCIQLXMIDGEH-UWVGGRQHSA-N 1 0 292.339 1.424 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000449745519 393141459 /nfs/dbraw/zinc/14/14/59/393141459.db2.gz NPUPIKAXEPFGEN-NWDGAFQWSA-N 1 0 277.324 1.647 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3c4c(ccc3[N+](=O)[O-])NCC4)C[C@H]2C1 ZINC000278787662 393143083 /nfs/dbraw/zinc/14/30/83/393143083.db2.gz PXWHRPYBIBWLRP-PHIMTYICSA-N 1 0 288.351 1.561 20 5 CDBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332613692 393153696 /nfs/dbraw/zinc/15/36/96/393153696.db2.gz DRSRRWOCJCBWNC-VHSXEESVSA-N 1 0 268.317 1.064 20 5 CDBDRO COC[C@H](CCO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000219129721 140166938 /nfs/dbraw/zinc/16/69/38/140166938.db2.gz ZIOAMVKJDIBCFT-LBPRGKRZSA-N 1 0 268.313 1.390 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000124861113 139800130 /nfs/dbraw/zinc/80/01/30/139800130.db2.gz VJCRBNCQJDQDIN-UHFFFAOYSA-N 1 0 257.315 1.338 20 5 CDBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000185435336 140040867 /nfs/dbraw/zinc/04/08/67/140040867.db2.gz UYVQLWWONVIFAN-SNVBAGLBSA-N 1 0 295.343 1.312 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000231484340 140216647 /nfs/dbraw/zinc/21/66/47/140216647.db2.gz TYNJOXUJYLTMLU-SNVBAGLBSA-N 1 0 295.314 1.948 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000232237122 140222478 /nfs/dbraw/zinc/22/24/78/140222478.db2.gz FXFGTAMQDXYJOP-SNVBAGLBSA-N 1 0 281.287 1.606 20 5 CDBDRO CCc1nn(C)c(N2CCC[C@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000250145249 140302497 /nfs/dbraw/zinc/30/24/97/140302497.db2.gz YQXBCGQDLXUWOE-UWVGGRQHSA-N 1 0 281.360 1.454 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252545788 140319369 /nfs/dbraw/zinc/31/93/69/140319369.db2.gz JTAAALWNTXBIPQ-WCQYABFASA-N 1 0 292.339 1.573 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1 ZINC000252883740 140330040 /nfs/dbraw/zinc/33/00/40/140330040.db2.gz VMJBHCXTINQJST-UBHSHLNASA-N 1 0 262.309 1.798 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000261596211 140359692 /nfs/dbraw/zinc/35/96/92/140359692.db2.gz DLHLQNDWZNDDMA-LBPRGKRZSA-N 1 0 279.340 1.627 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261637784 140367805 /nfs/dbraw/zinc/36/78/05/140367805.db2.gz IJSUWQIUYPJYQK-HNNXBMFYSA-N 1 0 289.335 1.729 20 5 CDBDRO COc1cc(N2CC[C@H]3[NH2+]CC[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000261760372 140385102 /nfs/dbraw/zinc/38/51/02/140385102.db2.gz UWKSFSMZSXTLLI-GXSJLCMTSA-N 1 0 295.314 1.931 20 5 CDBDRO Cc1nc([N+](=O)[O-])cn1Cc1nc(C2([NH3+])CCCC2)no1 ZINC000261763469 140386738 /nfs/dbraw/zinc/38/67/38/140386738.db2.gz MPWMKNZCUNXCIA-UHFFFAOYSA-N 1 0 292.299 1.259 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+](CCO)C2CCCCC2)c1 ZINC000304516122 140530970 /nfs/dbraw/zinc/53/09/70/140530970.db2.gz JAERHFVHMHPSSH-UHFFFAOYSA-N 1 0 282.344 1.418 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000107830062 140714018 /nfs/dbraw/zinc/71/40/18/140714018.db2.gz BDZAAAHMRBERJP-VHSXEESVSA-N 1 0 265.317 1.367 20 5 CDBDRO CO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C[NH3+])C1 ZINC000167195088 285709353 /nfs/dbraw/zinc/70/93/53/285709353.db2.gz RSFWHUZTKDPMEF-RKDXNWHRSA-N 1 0 299.352 1.235 20 5 CDBDRO COc1ccc(CNC[C@@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000228725890 397610030 /nfs/dbraw/zinc/61/00/30/397610030.db2.gz MZLQGTUACAESIJ-CQSZACIVSA-N 1 0 297.355 1.006 20 5 CDBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000049119214 146858936 /nfs/dbraw/zinc/85/89/36/146858936.db2.gz CULFTAKDMFNZQI-XBFCOCLRSA-N 1 0 296.371 1.711 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccncc2)C2CC2)n1 ZINC000093221342 147037999 /nfs/dbraw/zinc/03/79/99/147037999.db2.gz JNYJEILJMXNBCG-UHFFFAOYSA-N 1 0 287.323 1.851 20 5 CDBDRO C[C@]1(CNc2ccc([N+](=O)[O-])cn2)CCC[NH2+]C1 ZINC000129295083 147622134 /nfs/dbraw/zinc/62/21/34/147622134.db2.gz ONJVPNAVVKZVAQ-LBPRGKRZSA-N 1 0 250.302 1.791 20 5 CDBDRO COc1ccc(C(=O)N[C@@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000311711854 149218431 /nfs/dbraw/zinc/21/84/31/149218431.db2.gz NSOBWDCYDGIBJK-QMMMGPOBSA-N 1 0 267.285 1.071 20 5 CDBDRO O=C1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H]2CCCCN12 ZINC000313798910 149247081 /nfs/dbraw/zinc/24/70/81/149247081.db2.gz LJCNQRHMELAMOS-UONOGXRCSA-N 1 0 289.335 1.838 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC([NH+]2CCCC2)CC1 ZINC000352650175 155324150 /nfs/dbraw/zinc/32/41/50/155324150.db2.gz UOLDMVYYOKTDHP-UHFFFAOYSA-N 1 0 293.327 1.018 20 5 CDBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1O ZINC000352659473 155330155 /nfs/dbraw/zinc/33/01/55/155330155.db2.gz JTPPKHMUGCLQKJ-OLZOCXBDSA-N 1 0 250.298 1.940 20 5 CDBDRO Cc1nn(C)c(N[C@H]2CCC[N@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000343596380 152237844 /nfs/dbraw/zinc/23/78/44/152237844.db2.gz HCACDTPPAHQYGB-ZJUUUORDSA-N 1 0 267.333 1.531 20 5 CDBDRO COC1(C[NH2+]CCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000344091598 152415948 /nfs/dbraw/zinc/41/59/48/152415948.db2.gz OCKVRPZLOYHVLB-UHFFFAOYSA-N 1 0 294.351 1.923 20 5 CDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH3+])C1 ZINC000346070307 153042631 /nfs/dbraw/zinc/04/26/31/153042631.db2.gz KBUGRJOUULNSJO-GHMZBOCLSA-N 1 0 292.339 1.345 20 5 CDBDRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000347045489 153392268 /nfs/dbraw/zinc/39/22/68/153392268.db2.gz NSPAZBGALTWQPD-GXFFZTMASA-N 1 0 278.308 1.978 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)c1 ZINC000297308202 286381018 /nfs/dbraw/zinc/38/10/18/286381018.db2.gz FQTNCJJHBPPGMH-BXKDBHETSA-N 1 0 293.323 1.555 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCO[C@H](C[NH3+])C1 ZINC000420299379 292296350 /nfs/dbraw/zinc/29/63/50/292296350.db2.gz BADGEXGCVMMVOS-WCQYABFASA-N 1 0 279.340 1.624 20 5 CDBDRO C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000354042771 156237567 /nfs/dbraw/zinc/23/75/67/156237567.db2.gz RMOVDZMOTNDGMG-YPMHNXCESA-N 1 0 296.371 1.520 20 5 CDBDRO C[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000354042768 156237856 /nfs/dbraw/zinc/23/78/56/156237856.db2.gz RMOVDZMOTNDGMG-AAEUAGOBSA-N 1 0 296.371 1.520 20 5 CDBDRO O=[N+]([O-])c1ccc2oc(CN3C[C@H]4C[NH2+]C[C@H]4C3)nc2c1 ZINC000359300725 158205666 /nfs/dbraw/zinc/20/56/66/158205666.db2.gz HDHSSNZOTCETQO-AOOOYVTPSA-N 1 0 288.307 1.387 20 5 CDBDRO C[NH+](C)CC(C)(C)CNc1ncccc1[N+](=O)[O-] ZINC000021029288 171291630 /nfs/dbraw/zinc/29/16/30/171291630.db2.gz BTJPQXFTLWYOLN-UHFFFAOYSA-N 1 0 252.318 1.990 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCCO2)cc1 ZINC000035677666 172348428 /nfs/dbraw/zinc/34/84/28/172348428.db2.gz YKHKXQKVJMRGGZ-CYBMUJFWSA-N 1 0 250.298 1.906 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]CCC2(O)CCOCC2)cs1 ZINC000285619901 196346398 /nfs/dbraw/zinc/34/63/98/196346398.db2.gz WJOCJSBEWWBEMV-UHFFFAOYSA-N 1 0 286.353 1.678 20 5 CDBDRO C[C@@H]([NH2+]C[C@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC000038060661 174071702 /nfs/dbraw/zinc/07/17/02/174071702.db2.gz DMSWAOUFADTXTN-MFKMUULPSA-N 1 0 266.297 1.661 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000040596159 174349072 /nfs/dbraw/zinc/34/90/72/174349072.db2.gz KHRZKMAZMHLTOW-LBPRGKRZSA-N 1 0 291.351 1.975 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000041031584 174455317 /nfs/dbraw/zinc/45/53/17/174455317.db2.gz UOKCFYOGXMEVNU-JTQLQIEISA-N 1 0 263.297 1.467 20 5 CDBDRO C[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000043571103 175068327 /nfs/dbraw/zinc/06/83/27/175068327.db2.gz ZZVNWUGPESQFML-UHFFFAOYSA-N 1 0 255.249 1.073 20 5 CDBDRO O=C(NCC1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000044503825 175186665 /nfs/dbraw/zinc/18/66/65/175186665.db2.gz ZQAOIAXFERTHIH-UHFFFAOYSA-N 1 0 263.297 1.324 20 5 CDBDRO [NH3+]C[C@H]1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000044528486 175193179 /nfs/dbraw/zinc/19/31/79/175193179.db2.gz WSTMFIJFVDYNNH-ABZNLYFFSA-N 1 0 289.335 1.805 20 5 CDBDRO COc1ccc(CN2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000044559176 175204022 /nfs/dbraw/zinc/20/40/22/175204022.db2.gz IRADBENSXXRXON-GFCCVEGCSA-N 1 0 279.340 1.917 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000044564370 175207709 /nfs/dbraw/zinc/20/77/09/175207709.db2.gz NGOXGQPKYAFZDC-LLVKDONJSA-N 1 0 295.314 1.948 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000070447256 175939030 /nfs/dbraw/zinc/93/90/30/175939030.db2.gz MZJBVXRROGJAGK-SNVBAGLBSA-N 1 0 285.731 1.961 20 5 CDBDRO COC[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000071269815 176103381 /nfs/dbraw/zinc/10/33/81/176103381.db2.gz NMNYCGMQLLONCY-CABZTGNLSA-N 1 0 254.286 1.253 20 5 CDBDRO COc1ccc(C[NH2+]C[C@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000071305267 176115539 /nfs/dbraw/zinc/11/55/39/176115539.db2.gz UFWZZXVXHCKEKB-LBPRGKRZSA-N 1 0 266.297 1.464 20 5 CDBDRO [NH3+]C[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000213321483 261214635 /nfs/dbraw/zinc/21/46/35/261214635.db2.gz RFUJMMANPJQGND-SYAFZNNESA-N 1 0 275.308 1.462 20 5 CDBDRO O=C1C[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)CN1C1CC1 ZINC000520415594 265809752 /nfs/dbraw/zinc/80/97/52/265809752.db2.gz RYMSDMDIQLOMFW-VIFPVBQESA-N 1 0 295.364 1.757 20 5 CDBDRO CC1(NC(=O)COc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000193369586 267303227 /nfs/dbraw/zinc/30/32/27/267303227.db2.gz BFGBGYWKANLRSH-UHFFFAOYSA-N 1 0 293.323 1.232 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC([NH+](C)C)C1 ZINC000163046432 270242949 /nfs/dbraw/zinc/24/29/49/270242949.db2.gz SWOBKLQHQCOVTG-UHFFFAOYSA-N 1 0 278.312 1.681 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000314827189 270326490 /nfs/dbraw/zinc/32/64/90/270326490.db2.gz RQLZDINVWGZWGU-SZTZYQKNSA-N 1 0 289.335 1.805 20 5 CDBDRO CC(C)[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000399718129 270375083 /nfs/dbraw/zinc/37/50/83/270375083.db2.gz HGOHWJSGXVYOCC-GXFFZTMASA-N 1 0 279.340 1.830 20 5 CDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)C[NH2+]C ZINC000420195585 273963579 /nfs/dbraw/zinc/96/35/79/273963579.db2.gz KLBGGTNFYAJJQT-SECBINFHSA-N 1 0 280.328 1.222 20 5 CDBDRO COC[C@@](C)([NH3+])CNc1cc(C)ccc1[N+](=O)[O-] ZINC000268044557 274046933 /nfs/dbraw/zinc/04/69/33/274046933.db2.gz PVSLBEAEYACCPC-LBPRGKRZSA-N 1 0 253.302 1.679 20 5 CDBDRO COC[C@H](CO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000280875403 274048844 /nfs/dbraw/zinc/04/88/44/274048844.db2.gz DCWFEWXRLYFVQM-SMDDNHRTSA-N 1 0 280.324 1.569 20 5 CDBDRO CS[C@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)C[C@@H]1[NH+](C)C ZINC000270394839 274186221 /nfs/dbraw/zinc/18/62/21/274186221.db2.gz UBKBAFFIJBVETJ-RYUDHWBXSA-N 1 0 296.396 1.780 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000261865412 274240971 /nfs/dbraw/zinc/24/09/71/274240971.db2.gz YLWHKDSAPHGOAQ-SFYZADRCSA-N 1 0 293.352 1.773 20 5 CDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000359232911 276277141 /nfs/dbraw/zinc/27/71/41/276277141.db2.gz RNDPVTNBDULXSB-SECBINFHSA-N 1 0 266.301 1.137 20 5 CDBDRO C[NH+](C)C1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000271726151 276774410 /nfs/dbraw/zinc/77/44/10/276774410.db2.gz MDORXQMYFYLOIN-UHFFFAOYSA-N 1 0 283.715 1.634 20 5 CDBDRO C[N@@H+]1CCC[C@]2(CCN(c3ncccc3[N+](=O)[O-])C2)C1 ZINC000292915181 277087544 /nfs/dbraw/zinc/08/75/44/277087544.db2.gz XUMFQLNFVXVUJZ-AWEZNQCLSA-N 1 0 276.340 1.912 20 5 CDBDRO C[C@H](CCO)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447527920 279269472 /nfs/dbraw/zinc/26/94/72/279269472.db2.gz HJPGKTOKNLUKES-UPJWGTAASA-N 1 0 296.371 1.883 20 5 CDBDRO CC(C)[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000106912060 279299626 /nfs/dbraw/zinc/29/96/26/279299626.db2.gz DNZGVQIVVMIGTE-ZDUSSCGKSA-N 1 0 279.340 1.797 20 5 CDBDRO C[C@H]1C[NH2+]CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000212101308 280086736 /nfs/dbraw/zinc/08/67/36/280086736.db2.gz UKSMLCCQWBCCIW-IBHLPDHGSA-N 1 0 275.308 1.428 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000212553873 280087017 /nfs/dbraw/zinc/08/70/17/280087017.db2.gz BJDSNBBMQMHUGV-WZIXFXTNSA-N 1 0 289.335 1.817 20 5 CDBDRO C[NH2+]CCN(C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000216700849 280088016 /nfs/dbraw/zinc/08/80/16/280088016.db2.gz IMEMJEWBIWYIPW-YVMONPNESA-N 1 0 263.297 1.286 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@@H](C)[NH2+]1 ZINC000227037907 280103042 /nfs/dbraw/zinc/10/30/42/280103042.db2.gz LRTNERUJYWONOA-OBBGCOQJSA-N 1 0 289.335 1.817 20 5 CDBDRO COc1ccc(C[NH2+]C(C)(C)CC(N)=O)cc1[N+](=O)[O-] ZINC000230649867 280117538 /nfs/dbraw/zinc/11/75/38/280117538.db2.gz IONBIWCNGFQQJY-UHFFFAOYSA-N 1 0 281.312 1.347 20 5 CDBDRO Cc1c(CNC(=O)C[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000231855953 280120407 /nfs/dbraw/zinc/12/04/07/280120407.db2.gz GHOQMEOYXNAMSZ-UHFFFAOYSA-N 1 0 263.297 1.271 20 5 CDBDRO Cc1c(C(=O)NC2(C)CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000189329794 280214149 /nfs/dbraw/zinc/21/41/49/280214149.db2.gz IYIQMPSTXGVKMV-UHFFFAOYSA-N 1 0 277.324 1.775 20 5 CDBDRO COc1cc(C(=O)N2CCC[C@H]([NH3+])C2)cc([N+](=O)[O-])c1C ZINC000422688476 280746133 /nfs/dbraw/zinc/74/61/33/280746133.db2.gz KPYJEXHFEVOQBA-NSHDSACASA-N 1 0 293.323 1.475 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1N1CC[C@H]3CC[C@@H](C1)[NH2+]3)CCN2 ZINC000517903073 281013070 /nfs/dbraw/zinc/01/30/70/281013070.db2.gz NEAIQPDRYYKLKW-MNOVXSKESA-N 1 0 288.351 1.894 20 5 CDBDRO Cc1cccc(C(=O)N2CC[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC000212755544 281190664 /nfs/dbraw/zinc/19/06/64/281190664.db2.gz UQCCQMLWBHLQAP-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000307909554 281396685 /nfs/dbraw/zinc/39/66/85/281396685.db2.gz FVLDYLCICLMDQD-UJZCVKTISA-N 1 0 289.335 1.865 20 5 CDBDRO C[NH+](C)C1(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000416308945 289044844 /nfs/dbraw/zinc/04/48/44/289044844.db2.gz SOLLCUBSGJUFQR-UHFFFAOYSA-N 1 0 291.351 1.738 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000558032953 290378785 /nfs/dbraw/zinc/37/87/85/290378785.db2.gz LFNWBBCNFFCLGU-AWEZNQCLSA-N 1 0 292.339 1.101 20 5 CDBDRO CC[C@H](COC)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000562995071 293237808 /nfs/dbraw/zinc/23/78/08/293237808.db2.gz HGHGEVACHUZDGN-DGCLKSJQSA-N 1 0 298.339 1.349 20 5 CDBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@@H+](C2CC2)C1 ZINC000568719270 294087057 /nfs/dbraw/zinc/08/70/57/294087057.db2.gz UPCQPAYQLFGWEN-LLVKDONJSA-N 1 0 276.340 1.910 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000568739508 294090902 /nfs/dbraw/zinc/09/09/02/294090902.db2.gz LLMYLFYBYUZVDK-NWDGAFQWSA-N 1 0 293.371 1.435 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000568739509 294090982 /nfs/dbraw/zinc/09/09/82/294090982.db2.gz LLMYLFYBYUZVDK-RYUDHWBXSA-N 1 0 293.371 1.435 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000569421204 294192015 /nfs/dbraw/zinc/19/20/15/294192015.db2.gz ASRVUZNEILRFFT-ZDUSSCGKSA-N 1 0 293.367 2.000 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000570910819 294330583 /nfs/dbraw/zinc/33/05/83/294330583.db2.gz IDSSGIBKHOVLLG-JQWIXIFHSA-N 1 0 292.339 1.521 20 5 CDBDRO C[C@H](C[NH2+]CCc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000571790502 294506494 /nfs/dbraw/zinc/50/64/94/294506494.db2.gz QUPBBSLCGMBZEO-SNVBAGLBSA-N 1 0 286.353 1.160 20 5 CDBDRO CC(C)[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000574573211 295020640 /nfs/dbraw/zinc/02/06/40/295020640.db2.gz YWDDPWQBUDEJSH-UHFFFAOYSA-N 1 0 254.290 1.041 20 5 CDBDRO [NH3+]C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000165602278 295260268 /nfs/dbraw/zinc/26/02/68/295260268.db2.gz ABBLFTAWZJRZQT-MRVPVSSYSA-N 1 0 299.714 1.048 20 5 CDBDRO COCC[C@](C)(O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563820012 316377907 /nfs/dbraw/zinc/37/79/07/316377907.db2.gz AXMYOCLWHXKVBV-ZFWWWQNUSA-N 1 0 294.351 1.959 20 5 CDBDRO COC[C@H](O)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575881616 317034203 /nfs/dbraw/zinc/03/42/03/317034203.db2.gz XFHRNXOXWFLUJJ-ZWNOBZJWSA-N 1 0 280.324 1.569 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C1CC([NH3+])C1 ZINC000384916740 323694401 /nfs/dbraw/zinc/69/44/01/323694401.db2.gz ZFQCJIMITHHGRW-UHFFFAOYSA-N 1 0 299.352 1.013 20 5 CDBDRO C[NH+]1CCC(CCO)(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000578905619 324056722 /nfs/dbraw/zinc/05/67/22/324056722.db2.gz FDWFZDWOEMWNAX-UHFFFAOYSA-N 1 0 293.367 1.531 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000578910818 324057523 /nfs/dbraw/zinc/05/75/23/324057523.db2.gz XHQUSSQYDKERAF-ZDUSSCGKSA-N 1 0 291.351 1.690 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000580556482 324497048 /nfs/dbraw/zinc/49/70/48/324497048.db2.gz SMKSOTCYDLKMLU-NSHDSACASA-N 1 0 291.351 1.941 20 5 CDBDRO COc1cc(CN[C@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000582965643 325079684 /nfs/dbraw/zinc/07/96/84/325079684.db2.gz UGARTLALVHCYDT-VHSXEESVSA-N 1 0 297.355 1.827 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[NH2+]C(C)C ZINC000584183897 327062486 /nfs/dbraw/zinc/06/24/86/327062486.db2.gz AXGKLOAVNSFIOW-UHFFFAOYSA-N 1 0 281.312 1.218 20 5 CDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCn2cc([N+](=O)[O-])cc(F)c2=O)C1 ZINC000584242650 327125977 /nfs/dbraw/zinc/12/59/77/327125977.db2.gz BFUSHESPUSLLKA-PHIMTYICSA-N 1 0 297.330 1.874 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2cc(C[NH3+])cn2)n1 ZINC001157471510 1162106123 /nfs/dbraw/zinc/10/61/23/1162106123.db2.gz GWPDPJSCQZRGTE-UHFFFAOYSA-N 1 0 267.676 1.596 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000049281811 519687706 /nfs/dbraw/zinc/68/77/06/519687706.db2.gz WWULAQZSTNGQLN-SNVBAGLBSA-N 1 0 250.302 1.884 20 5 CDBDRO CC[NH+](CC)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000061757579 520580589 /nfs/dbraw/zinc/58/05/89/520580589.db2.gz LUAUYZJMNRHXIR-UHFFFAOYSA-N 1 0 295.295 1.604 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000070303745 522005068 /nfs/dbraw/zinc/00/50/68/522005068.db2.gz WVELTVOHASMFRZ-UHFFFAOYSA-N 1 0 271.704 1.540 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000070303719 522005660 /nfs/dbraw/zinc/00/56/60/522005660.db2.gz BFLYOSAPZQDNEV-UHFFFAOYSA-N 1 0 271.704 1.540 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000068342095 522039900 /nfs/dbraw/zinc/03/99/00/522039900.db2.gz VIBSSZWDFGRZRU-SECBINFHSA-N 1 0 267.285 1.354 20 5 CDBDRO COc1cc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000234920537 522147512 /nfs/dbraw/zinc/14/75/12/522147512.db2.gz BTACUARCJCWEEB-ONGXEEELSA-N 1 0 293.323 1.474 20 5 CDBDRO CNc1c(C(=O)NC[C@@H]2CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000161444801 522540467 /nfs/dbraw/zinc/54/04/67/522540467.db2.gz FUCRJZNDTAXZFS-JTQLQIEISA-N 1 0 292.339 1.318 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1OC[C@@H]1CCC[NH2+]C1 ZINC000050505293 522983652 /nfs/dbraw/zinc/98/36/52/522983652.db2.gz CRBYKYUJVNYSPM-SNVBAGLBSA-N 1 0 266.297 1.982 20 5 CDBDRO C[NH+](C)C(C)(C)CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000049525176 524033049 /nfs/dbraw/zinc/03/30/49/524033049.db2.gz VAGVHFZZTHNFFB-UHFFFAOYSA-N 1 0 280.328 1.247 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000186714854 524531079 /nfs/dbraw/zinc/53/10/79/524531079.db2.gz KWTQMVOEMQUYDU-ZWNOBZJWSA-N 1 0 293.323 1.088 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000070173122 524844234 /nfs/dbraw/zinc/84/42/34/524844234.db2.gz NNNRSFODOAEYJC-DTWKUNHWSA-N 1 0 266.301 1.122 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000157350478 525434265 /nfs/dbraw/zinc/43/42/65/525434265.db2.gz BQZBOHNXPVCRQS-NXEZZACHSA-N 1 0 292.339 1.390 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163999666 525574464 /nfs/dbraw/zinc/57/44/64/525574464.db2.gz SHBUGVSSEDMSDJ-MWLCHTKSSA-N 1 0 264.329 1.719 20 5 CDBDRO [NH3+]C[C@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050246154 527238485 /nfs/dbraw/zinc/23/84/85/527238485.db2.gz INWRDRAKHJSGAU-MRVPVSSYSA-N 1 0 283.715 1.669 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@](O)(C3CC3)C2)cc1 ZINC000365834046 527349585 /nfs/dbraw/zinc/34/95/85/527349585.db2.gz ACFJNEZJUNRSHX-CQSZACIVSA-N 1 0 262.309 1.942 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](O)C2)cc1 ZINC000067386385 527371833 /nfs/dbraw/zinc/37/18/33/527371833.db2.gz MPEWZZJMQKXSDS-GFCCVEGCSA-N 1 0 266.297 1.430 20 5 CDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000236812690 535307039 /nfs/dbraw/zinc/30/70/39/535307039.db2.gz OHASZBJBOASSDP-CQSZACIVSA-N 1 0 295.339 1.463 20 5 CDBDRO CCOC(=O)c1cc(NCCCC[NH3+])ccc1[N+](=O)[O-] ZINC000420230267 535680923 /nfs/dbraw/zinc/68/09/23/535680923.db2.gz IMSJRUPCAMEZPB-UHFFFAOYSA-N 1 0 281.312 1.922 20 5 CDBDRO CC[C@@H](O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000421874226 535814154 /nfs/dbraw/zinc/81/41/54/535814154.db2.gz IOHCGQXJWWBRQT-CMPLNLGQSA-N 1 0 252.314 1.886 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C[NH3+])C2)c1 ZINC000237240981 536948794 /nfs/dbraw/zinc/94/87/94/536948794.db2.gz VILJERFECCWPRA-SNVBAGLBSA-N 1 0 293.323 1.414 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1C[C@H](O)C1 ZINC000850418034 617511141 /nfs/dbraw/zinc/51/11/41/617511141.db2.gz VVNDLBZTVCAZSI-MGCOHNPYSA-N 1 0 256.689 1.861 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N1CCC[C@H]([NH+](C)C)CC1 ZINC000893492606 617989318 /nfs/dbraw/zinc/98/93/18/617989318.db2.gz RBXDDXUHUUKLAP-NSHDSACASA-N 1 0 294.355 1.919 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000893938743 618200380 /nfs/dbraw/zinc/20/03/80/618200380.db2.gz FPEMOMGAONYBII-MNOVXSKESA-N 1 0 279.344 1.260 20 5 CDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1COCO1 ZINC000894879498 619116010 /nfs/dbraw/zinc/11/60/10/619116010.db2.gz YVFWJJPQBLLMKU-DGCLKSJQSA-N 1 0 280.324 1.878 20 5 CDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000928559255 619377663 /nfs/dbraw/zinc/37/76/63/619377663.db2.gz WORDDHSBHLVUGJ-SECBINFHSA-N 1 0 288.307 1.510 20 5 CDBDRO Cc1nc(N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC000895193603 619445138 /nfs/dbraw/zinc/44/51/38/619445138.db2.gz YFQHNFUEQDDWRD-NWDGAFQWSA-N 1 0 276.340 1.971 20 5 CDBDRO C[C@@H](Nc1cccnc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895245504 619486687 /nfs/dbraw/zinc/48/66/87/619486687.db2.gz BAMVJGXOQCLNEY-PWSUYJOCSA-N 1 0 279.344 1.036 20 5 CDBDRO C[C@@H](Nc1ccsc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895246752 619493354 /nfs/dbraw/zinc/49/33/54/619493354.db2.gz DINDMFMKFNOXHR-MWLCHTKSSA-N 1 0 284.385 1.703 20 5 CDBDRO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000895326098 619564060 /nfs/dbraw/zinc/56/40/60/619564060.db2.gz ZMLYQQSFEPLHOD-LLVKDONJSA-N 1 0 297.742 1.862 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000923890085 621662073 /nfs/dbraw/zinc/66/20/73/621662073.db2.gz PBRAYQFYQZEPLM-GFCCVEGCSA-N 1 0 296.327 1.207 20 5 CDBDRO COCC[C@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])c(C)c1 ZINC000900438569 623058711 /nfs/dbraw/zinc/05/87/11/623058711.db2.gz ISAXXWLRCMQUHV-ZDUSSCGKSA-N 1 0 279.340 1.718 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C/C=C/Cl)c1 ZINC000905708736 626935471 /nfs/dbraw/zinc/93/54/71/626935471.db2.gz SNTZLRMNGHKYSX-DGXRNCNBSA-N 1 0 286.715 1.677 20 5 CDBDRO COCC1C[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000905970084 627060552 /nfs/dbraw/zinc/06/05/52/627060552.db2.gz GFZAVKHEKVTSPY-ZDUSSCGKSA-N 1 0 266.297 1.206 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911672569 629399779 /nfs/dbraw/zinc/39/97/79/629399779.db2.gz MHDKXIPFPAZGRA-BNOWGMLFSA-N 1 0 289.335 1.567 20 5 CDBDRO CN1CCN(C(=[NH2+])Nc2cc(Cl)cc([N+](=O)[O-])n2)CC1 ZINC001157914604 1162543358 /nfs/dbraw/zinc/54/33/58/1162543358.db2.gz IRAKLODDHKXIMJ-UHFFFAOYSA-N 1 0 298.734 1.237 20 5 CDBDRO C[C@@H](Nc1nc(Cl)ccc1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001170566068 1162932175 /nfs/dbraw/zinc/93/21/75/1162932175.db2.gz DMPHKLFAULFSIG-VXNVDRBHSA-N 1 0 286.719 1.432 20 5 CDBDRO COC(=O)c1ncc2n1CCC[C@H]2OCC[N+](C)(C)C ZINC001224773218 1160873298 /nfs/dbraw/zinc/87/32/98/1160873298.db2.gz GVFPOGARNNRURF-GFCCVEGCSA-N 1 0 282.364 1.227 20 5 CDBDRO O=C(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168966589 1161995769 /nfs/dbraw/zinc/99/57/69/1161995769.db2.gz JPJNNALBVSIREE-DGCLKSJQSA-N 1 0 262.309 1.904 20 5 CDBDRO CCC(=O)NC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169030304 1161998402 /nfs/dbraw/zinc/99/84/02/1161998402.db2.gz YJYJOYSUEKJQBR-DGCLKSJQSA-N 1 0 283.372 1.422 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC001155583283 1167243168 /nfs/dbraw/zinc/24/31/68/1167243168.db2.gz KDFDYCDTEMFMNQ-JEZHCXPESA-N 1 0 293.283 1.308 20 5 CDBDRO Cc1cnc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001155617084 1167259637 /nfs/dbraw/zinc/25/96/37/1167259637.db2.gz GSJDADIIKWBJMB-FZMZJTMJSA-N 1 0 292.339 1.621 20 5 CDBDRO C[C@@H](NC(=O)N(C)C[C@H]1CC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001579410923 1172170486 /nfs/dbraw/zinc/17/04/86/1172170486.db2.gz OLQJAFAMBWZXJZ-ZYHUDNBSSA-N 1 0 292.339 1.659 20 5 CDBDRO C[C@H](NC(=O)N1CC[NH2+][C@H]2C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC001579481411 1172194464 /nfs/dbraw/zinc/19/44/64/1172194464.db2.gz OGLQESSJRUDSKO-XHVZSJERSA-N 1 0 290.323 1.412 20 5 CDBDRO Cc1c(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]32)cccc1[N+](=O)[O-] ZINC001579541907 1172209019 /nfs/dbraw/zinc/20/90/19/1172209019.db2.gz KJBFFTBZUMUKAX-GXFFZTMASA-N 1 0 290.323 1.729 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@](C)(C[NH3+])CC(C)C)n1 ZINC001579642332 1172232867 /nfs/dbraw/zinc/23/28/67/1172232867.db2.gz ABMPMFCMVTUFPH-CQSZACIVSA-N 1 0 294.355 1.792 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001580371920 1172416359 /nfs/dbraw/zinc/41/63/59/1172416359.db2.gz BSNIIJCWPWDBAT-MCIONIFRSA-N 1 0 279.340 1.488 20 5 CDBDRO O=C(C[C@H]1CC[NH2+]C1)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001580565985 1172469382 /nfs/dbraw/zinc/46/93/82/1172469382.db2.gz GJTLXCGTZVDIKS-MRVPVSSYSA-N 1 0 299.277 1.489 20 5 CDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C[C@@H]1F ZINC001580570149 1172470185 /nfs/dbraw/zinc/47/01/85/1172470185.db2.gz OIZGMVPNUSMZEI-WDEREUQCSA-N 1 0 299.277 1.093 20 5 CDBDRO O=C(N[C@@H]1C[NH2+]CC12CC2)c1ccccc1[N+](=O)[O-] ZINC001580623583 1172490325 /nfs/dbraw/zinc/49/03/25/1172490325.db2.gz WCJMKLYZTDTIBQ-LLVKDONJSA-N 1 0 261.281 1.077 20 5 CDBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[NH2+][C@H]2C[C@H]21 ZINC001580874913 1172557401 /nfs/dbraw/zinc/55/74/01/1172557401.db2.gz OPPMHUPIRSJBQA-NWDGAFQWSA-N 1 0 270.292 1.694 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132782888 1175798300 /nfs/dbraw/zinc/79/83/00/1175798300.db2.gz PVFDCGIDXUUKKJ-PRHODGIISA-N 1 0 281.287 1.591 20 5 CDBDRO Cc1nn(CN2CC[C@H]3OCCC[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000246974213 1181017006 /nfs/dbraw/zinc/01/70/06/1181017006.db2.gz NWXUFEFPZUTWED-QWHCGFSZSA-N 1 0 294.355 1.867 20 5 CDBDRO C[C@@H]1[NH2+]C[C@H](C)N(C(=O)c2csc([N+](=O)[O-])c2)[C@H]1C ZINC000401236088 1186407613 /nfs/dbraw/zinc/40/76/13/1186407613.db2.gz RGVUMPOJFGTHGY-CIUDSAMLSA-N 1 0 283.353 1.867 20 5 CDBDRO COc1nc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001164635690 719169786 /nfs/dbraw/zinc/16/97/86/719169786.db2.gz LGVHDMBTJXGVLT-NXEZZACHSA-N 1 0 280.328 1.527 20 5 CDBDRO C[C@@]([NH3+])(C(=O)N[C@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000876943105 1165944792 /nfs/dbraw/zinc/94/47/92/1165944792.db2.gz BVINAONIUFCEBC-WFASDCNBSA-N 1 0 289.335 1.994 20 5 CDBDRO C[C@H]([NH3+])CN(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000877101816 1165974622 /nfs/dbraw/zinc/97/46/22/1165974622.db2.gz RYEQRFVSANTXAC-JTQLQIEISA-N 1 0 279.340 1.678 20 5 CDBDRO CCc1ccc(C(=O)N2CC[C@@](C)([NH3+])C2)cc1[N+](=O)[O-] ZINC000868077276 796490443 /nfs/dbraw/zinc/49/04/43/796490443.db2.gz VETBUJWEKHSXQM-CQSZACIVSA-N 1 0 277.324 1.721 20 5 CDBDRO C[C@H](O)[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000780357586 796537462 /nfs/dbraw/zinc/53/74/62/796537462.db2.gz CTTLSFWFMUFDAI-VHRBIJSZSA-N 1 0 280.324 1.331 20 5 CDBDRO COc1cc(C[NH2+]C[C@H]2CCN2C)c([N+](=O)[O-])cc1O ZINC000922576124 796600907 /nfs/dbraw/zinc/60/09/07/796600907.db2.gz UKKCRJBGXNZUJF-SNVBAGLBSA-N 1 0 281.312 1.103 20 5 CDBDRO COC[C@@H]([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])C1CC1 ZINC000893179731 796779307 /nfs/dbraw/zinc/77/93/07/796779307.db2.gz APCSTCNMSGPOJJ-LLVKDONJSA-N 1 0 296.323 1.824 20 5 CDBDRO C[C@@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])nc1 ZINC000827696697 796865821 /nfs/dbraw/zinc/86/58/21/796865821.db2.gz MZQMHTVWCYWVNA-SNVBAGLBSA-N 1 0 250.302 1.886 20 5 CDBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839491809 796894560 /nfs/dbraw/zinc/89/45/60/796894560.db2.gz MEUBRYXTPROFRX-ZIAGYGMSSA-N 1 0 291.351 1.242 20 5 CDBDRO O=C1NCC2(CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)O1 ZINC000781996326 796897593 /nfs/dbraw/zinc/89/75/93/796897593.db2.gz BAHIIUFMJLVNKU-UHFFFAOYSA-N 1 0 291.307 1.669 20 5 CDBDRO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCCCC1 ZINC000839503064 796902656 /nfs/dbraw/zinc/90/26/56/796902656.db2.gz NDCGXZLVYJEBMS-CHWSQXEVSA-N 1 0 283.372 1.422 20 5 CDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000827332942 796977025 /nfs/dbraw/zinc/97/70/25/796977025.db2.gz VQAQCDYUJJIGAL-QWHCGFSZSA-N 1 0 297.399 1.765 20 5 CDBDRO Cn1nccc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809734716 797037210 /nfs/dbraw/zinc/03/72/10/797037210.db2.gz KJPRXHPOGGFHEV-UHFFFAOYSA-N 1 0 275.312 1.294 20 5 CDBDRO CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000858585081 797075141 /nfs/dbraw/zinc/07/51/41/797075141.db2.gz ZUQJRGOLZJOLHJ-VHSXEESVSA-N 1 0 281.312 1.654 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000876921575 797157345 /nfs/dbraw/zinc/15/73/45/797157345.db2.gz IDGMGZLVSUKPNW-UHFFFAOYSA-N 1 0 279.340 1.893 20 5 CDBDRO CN(Cc1cccnc1[N+](=O)[O-])C[C@@H]1CCC[N@H+](C)C1 ZINC000886018547 797399522 /nfs/dbraw/zinc/39/95/22/797399522.db2.gz BZZOXWXOQLRMMC-GFCCVEGCSA-N 1 0 278.356 1.763 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CCC(CO)(CO)CC2)cc1F ZINC000879971259 797563533 /nfs/dbraw/zinc/56/35/33/797563533.db2.gz OMXUKIMMVKNESH-UHFFFAOYSA-N 1 0 298.314 1.301 20 5 CDBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877165624 797717205 /nfs/dbraw/zinc/71/72/05/797717205.db2.gz OCVIMMCEKXHAQP-YUMQZZPRSA-N 1 0 281.699 1.435 20 5 CDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000715073901 797847574 /nfs/dbraw/zinc/84/75/74/797847574.db2.gz ZWXHTIRMLCLINN-WKFQBHICSA-N 1 0 267.260 1.201 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000302394676 797884177 /nfs/dbraw/zinc/88/41/77/797884177.db2.gz JKFNLRJSLFCKEZ-UHFFFAOYSA-N 1 0 255.249 1.155 20 5 CDBDRO Cc1c(CNC(=S)NCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000790334155 797887287 /nfs/dbraw/zinc/88/72/87/797887287.db2.gz RIQKALBIRKGHQJ-UHFFFAOYSA-N 1 0 296.396 1.429 20 5 CDBDRO CC(C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000854159467 797897427 /nfs/dbraw/zinc/89/74/27/797897427.db2.gz CPMPBLDSVIBSFZ-UHFFFAOYSA-N 1 0 252.230 1.736 20 5 CDBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000165558915 797907334 /nfs/dbraw/zinc/90/73/34/797907334.db2.gz XCPHXRMSEKOFNM-SECBINFHSA-N 1 0 299.714 1.048 20 5 CDBDRO Cc1ccc(C[N@@H+](CCO)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000714018179 797969789 /nfs/dbraw/zinc/96/97/89/797969789.db2.gz CCBINYBARNHJJX-NSHDSACASA-N 1 0 268.313 1.078 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2(CO)CC2)c1F ZINC001173178903 912281218 /nfs/dbraw/zinc/28/12/18/912281218.db2.gz NIYIQHWWHQAUSX-VIFPVBQESA-N 1 0 298.314 1.788 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H]2C[C@H]2[NH3+])c1F ZINC001173190839 912285316 /nfs/dbraw/zinc/28/53/16/912285316.db2.gz HXDZPAPNBCEYLI-SZEHBUNVSA-N 1 0 283.303 1.363 20 5 CDBDRO CN(CC1CC[NH2+]CC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000094021966 912330273 /nfs/dbraw/zinc/33/02/73/912330273.db2.gz MGSPCENPIAVTSF-UHFFFAOYSA-N 1 0 277.324 1.666 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC001173211193 912332581 /nfs/dbraw/zinc/33/25/81/912332581.db2.gz QYUXJLOUSRZEGP-CMPLNLGQSA-N 1 0 298.364 1.303 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H](O)C1 ZINC001173214644 912335613 /nfs/dbraw/zinc/33/56/13/912335613.db2.gz DCGIYJBIAXAMHM-GAFUQQFSSA-N 1 0 250.298 1.639 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](C[NH3+])C1 ZINC001173214164 912336877 /nfs/dbraw/zinc/33/68/77/912336877.db2.gz MLCOTAHEJSWUQQ-SMDDNHRTSA-N 1 0 279.340 1.185 20 5 CDBDRO C[NH2+]Cc1c(C)nn(-c2nc(Cl)ncc2[N+](=O)[O-])c1C ZINC001167098364 894492046 /nfs/dbraw/zinc/49/20/46/894492046.db2.gz LJFZQQAVVSDUIV-UHFFFAOYSA-N 1 0 296.718 1.560 20 5 CDBDRO COc1cc(-n2ccc3cc(C[NH3+])cnc32)cnc1[N+](=O)[O-] ZINC001167313758 895231462 /nfs/dbraw/zinc/23/14/62/895231462.db2.gz MWEVDSDSHLJUQH-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO C[NH+](C)CCOc1cc(NC2CC(=O)C2)ccc1[N+](=O)[O-] ZINC001167344360 895348858 /nfs/dbraw/zinc/34/88/58/895348858.db2.gz HRDDIGMRRCITEL-UHFFFAOYSA-N 1 0 293.323 1.679 20 5 CDBDRO COCC(COC)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834889986 895979678 /nfs/dbraw/zinc/97/96/78/895979678.db2.gz HQEPFZRGYLZIFC-VIFPVBQESA-N 1 0 283.328 1.489 20 5 CDBDRO COc1nc(C)c(-n2cccc2C[NH3+])cc1[N+](=O)[O-] ZINC001167593107 896945868 /nfs/dbraw/zinc/94/58/68/896945868.db2.gz LDDZCEIIPSNQPH-UHFFFAOYSA-N 1 0 262.269 1.556 20 5 CDBDRO CCC(CO)(CO)Nc1ccccc1C[N+](C)(C)CC ZINC001167971079 904854751 /nfs/dbraw/zinc/85/47/51/904854751.db2.gz BNZWRKNQBWXMFT-UHFFFAOYSA-N 1 0 281.420 1.828 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](Oc2ncncc2[N+](=O)[O-])C1 ZINC001228655039 907536492 /nfs/dbraw/zinc/53/64/92/907536492.db2.gz OYYBMZBYFAJWMS-SECBINFHSA-N 1 0 252.274 1.248 20 5 CDBDRO CCCc1c[nH]c(=O)nc1O[C@@H](C)C[N+](C)(C)C ZINC001228872615 907609099 /nfs/dbraw/zinc/60/90/99/907609099.db2.gz ACLKTRROJFYRPN-JTQLQIEISA-O 1 0 254.354 1.608 20 5 CDBDRO CC1(Nc2cc([N+](=O)[O-])c3nncn3c2)CC[NH2+]CC1 ZINC001168188257 907782656 /nfs/dbraw/zinc/78/26/56/907782656.db2.gz QDBZHFKTQIPIQR-UHFFFAOYSA-N 1 0 276.300 1.192 20 5 CDBDRO CC(C)(C[NH3+])c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000843237701 921466537 /nfs/dbraw/zinc/46/65/37/921466537.db2.gz DPNOKRMIVFQCGV-UHFFFAOYSA-N 1 0 252.230 1.474 20 5 CDBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])c2nonc21)[NH+](C)C ZINC000697905099 909565196 /nfs/dbraw/zinc/56/51/96/909565196.db2.gz FBYDHMANZODTDC-QMMMGPOBSA-N 1 0 279.300 1.883 20 5 CDBDRO Cc1ccc(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000715065531 909795387 /nfs/dbraw/zinc/79/53/87/909795387.db2.gz ITFPGXUUXYDROO-JGZJWPJOSA-N 1 0 263.297 1.370 20 5 CDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000715073464 909796057 /nfs/dbraw/zinc/79/60/57/909796057.db2.gz OOJKRJISELDPMM-OCAPTIKFSA-N 1 0 267.260 1.201 20 5 CDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000715073824 909797499 /nfs/dbraw/zinc/79/74/99/909797499.db2.gz XDEKXRDXNXZFTG-OTSSQURYSA-N 1 0 267.260 1.201 20 5 CDBDRO CO[C@]1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000160346183 909951205 /nfs/dbraw/zinc/95/12/05/909951205.db2.gz JIWLMODZJWBWGC-KGLIPLIRSA-N 1 0 296.323 1.023 20 5 CDBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cn(C)nn1 ZINC000715878579 910081117 /nfs/dbraw/zinc/08/11/17/910081117.db2.gz LUIFVMOUZFHWDO-SNVBAGLBSA-N 1 0 275.312 1.617 20 5 CDBDRO CC(C)OCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001124425120 936316055 /nfs/dbraw/zinc/31/60/55/936316055.db2.gz RNMZNDIGRSGGHQ-UHFFFAOYSA-N 1 0 295.339 1.226 20 5 CDBDRO CO[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000831533493 936515694 /nfs/dbraw/zinc/51/56/94/936515694.db2.gz IGRASKYJXWYSIA-BYCMXARLSA-N 1 0 294.351 1.985 20 5 CDBDRO CCC1(Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C[NH2+]C1 ZINC001168583619 919295433 /nfs/dbraw/zinc/29/54/33/919295433.db2.gz ODWBCCWGDSDWOR-UHFFFAOYSA-N 1 0 294.311 1.249 20 5 CDBDRO CC[C@H](C)[C@@H](O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843075705 919411373 /nfs/dbraw/zinc/41/13/73/919411373.db2.gz WCHCGFUUOUISCK-LEWSCRJBSA-N 1 0 282.340 1.625 20 5 CDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000827332939 936587961 /nfs/dbraw/zinc/58/79/61/936587961.db2.gz VQAQCDYUJJIGAL-OLZOCXBDSA-N 1 0 297.399 1.765 20 5 CDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C2)C1 ZINC000832811341 936603863 /nfs/dbraw/zinc/60/38/63/936603863.db2.gz SVBJNFLCEPJHAY-AWEZNQCLSA-N 1 0 283.372 1.376 20 5 CDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702055824 922466401 /nfs/dbraw/zinc/46/64/01/922466401.db2.gz NCRKXUQWIUEEFZ-VROVMSAKSA-N 1 0 281.699 1.196 20 5 CDBDRO CSc1ccc(C(=O)N(C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000704249793 922863866 /nfs/dbraw/zinc/86/38/66/922863866.db2.gz OUYVIEXPKVMSRJ-QMMMGPOBSA-N 1 0 283.353 1.736 20 5 CDBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCC1 ZINC000706537951 923066484 /nfs/dbraw/zinc/06/64/84/923066484.db2.gz FVSTZLPQKYAHQQ-UHFFFAOYSA-N 1 0 283.715 1.859 20 5 CDBDRO CCCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000923287991 923708791 /nfs/dbraw/zinc/70/87/91/923708791.db2.gz WSGFUKHWBIPYEI-HUUCEWRRSA-N 1 0 293.367 1.702 20 5 CDBDRO CC[NH+](CC)CCOC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000837924720 936861387 /nfs/dbraw/zinc/86/13/87/936861387.db2.gz HHTANRSJBJDANM-UHFFFAOYSA-N 1 0 260.334 1.707 20 5 CDBDRO CCC[C@@H]1C[NH2+]CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923331676 923757631 /nfs/dbraw/zinc/75/76/31/923757631.db2.gz NMVFATKMOAHEGW-HUUCEWRRSA-N 1 0 293.367 1.702 20 5 CDBDRO CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)[NH3+] ZINC000923387166 923803478 /nfs/dbraw/zinc/80/34/78/923803478.db2.gz VJVMNVZDFVERNL-GFCCVEGCSA-N 1 0 267.329 1.297 20 5 CDBDRO CCn1ncc(CN(C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000839089706 936903618 /nfs/dbraw/zinc/90/36/18/936903618.db2.gz RQSVBIQVASQIQG-UHFFFAOYSA-N 1 0 289.339 1.881 20 5 CDBDRO CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839567289 936915525 /nfs/dbraw/zinc/91/55/25/936915525.db2.gz CZCRCVARNUHLNV-CHWSQXEVSA-N 1 0 283.372 1.230 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N[C@H]2C[NH+]3CCC2CC3)c1 ZINC001155667552 927029737 /nfs/dbraw/zinc/02/97/37/927029737.db2.gz IUCGETWGHIOENZ-JTQLQIEISA-N 1 0 298.730 1.388 20 5 CDBDRO [NH3+][C@H]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001156229086 927499731 /nfs/dbraw/zinc/49/97/31/927499731.db2.gz SZUWZPZEWGAIHT-VIFPVBQESA-N 1 0 258.281 1.680 20 5 CDBDRO [NH3+]Cc1nnnn1-c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001168920757 927543687 /nfs/dbraw/zinc/54/36/87/927543687.db2.gz YDRCFXOTDRXRNT-UHFFFAOYSA-N 1 0 288.189 1.048 20 5 CDBDRO [NH3+]CCc1cnn(-c2c(Cl)cncc2[N+](=O)[O-])c1 ZINC001168950076 927556345 /nfs/dbraw/zinc/55/63/45/927556345.db2.gz UPJXWEXUURPUNJ-UHFFFAOYSA-N 1 0 267.676 1.330 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(-n2cc(CC[NH3+])cn2)c1F ZINC001168952258 927558537 /nfs/dbraw/zinc/55/85/37/927558537.db2.gz GYWFLWYUWPBZLG-UHFFFAOYSA-N 1 0 264.260 1.729 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2cc(CC[NH3+])cn2)c1 ZINC001168952569 927558674 /nfs/dbraw/zinc/55/86/74/927558674.db2.gz LPMQJSKYCMEBDS-UHFFFAOYSA-N 1 0 290.279 1.068 20 5 CDBDRO NC(=O)c1cccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168978304 927565824 /nfs/dbraw/zinc/56/58/24/927565824.db2.gz QZAKGRMLSGVTKT-YPMHNXCESA-N 1 0 277.324 1.321 20 5 CDBDRO O=c1ccc2c([nH]1)CC[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001168956874 927577513 /nfs/dbraw/zinc/57/75/13/927577513.db2.gz CIPRPKMXGFBLNI-RAIGVLPGSA-N 1 0 291.351 1.680 20 5 CDBDRO CC(=O)N1CCC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168965633 927589001 /nfs/dbraw/zinc/58/90/01/927589001.db2.gz BIPXYVWCMGZGSA-AGIUHOORSA-N 1 0 269.345 1.032 20 5 CDBDRO CCNC(=O)N1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168965936 927589211 /nfs/dbraw/zinc/58/92/11/927589211.db2.gz DQQARTCYQZLBQC-YPMHNXCESA-N 1 0 298.387 1.215 20 5 CDBDRO CC(=O)N1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168965730 927589554 /nfs/dbraw/zinc/58/95/54/927589554.db2.gz CIXDYQIYDHDUSY-DGCLKSJQSA-N 1 0 269.345 1.032 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC001168968355 927591097 /nfs/dbraw/zinc/59/10/97/927591097.db2.gz XXWQKIJFQIFIEH-JHJVBQTASA-N 1 0 256.346 1.981 20 5 CDBDRO Cc1cc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)n(C)n1 ZINC001168969061 927592001 /nfs/dbraw/zinc/59/20/01/927592001.db2.gz BUKBHWCZTOAQTB-QWRGUYRKSA-N 1 0 252.318 1.264 20 5 CDBDRO O=c1cc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc[nH]1 ZINC001168970390 927595143 /nfs/dbraw/zinc/59/51/43/927595143.db2.gz HABCMHVLHZXJQD-MNOVXSKESA-N 1 0 251.286 1.322 20 5 CDBDRO Cn1cc(C2([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cn1 ZINC001168975264 927599551 /nfs/dbraw/zinc/59/95/51/927599551.db2.gz VSRGXLAJNNMKNZ-JQWIXIFHSA-N 1 0 264.329 1.444 20 5 CDBDRO CC(C)(C)C(=O)N1CC[C@@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168995709 927602727 /nfs/dbraw/zinc/60/27/27/927602727.db2.gz SQLNDHHHRFGILE-JHJVBQTASA-N 1 0 297.399 1.668 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2ccncn2)C1 ZINC001169003116 927606150 /nfs/dbraw/zinc/60/61/50/927606150.db2.gz NPPCCUKXFXGONE-ZYHUDNBSSA-N 1 0 250.302 1.054 20 5 CDBDRO O=C1CC2(CN1)CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169006411 927610786 /nfs/dbraw/zinc/61/07/86/927610786.db2.gz HVDSZXGZLNWASD-VXGBXAGGSA-N 1 0 281.356 1.034 20 5 CDBDRO CC(C)N1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169007117 927611689 /nfs/dbraw/zinc/61/16/89/927611689.db2.gz LIFHQXCXZXYBQA-CHWSQXEVSA-N 1 0 255.362 1.458 20 5 CDBDRO CC(=O)NC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169006359 927612488 /nfs/dbraw/zinc/61/24/88/927612488.db2.gz GUXBBJKKUKACAW-YPMHNXCESA-N 1 0 269.345 1.032 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cnn3ccccc23)C1 ZINC001169008675 927613760 /nfs/dbraw/zinc/61/37/60/927613760.db2.gz TVINTHRVPQDLSN-DGCLKSJQSA-N 1 0 274.324 1.869 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3CCCO[C@H]3C2)C1 ZINC001169010717 927616152 /nfs/dbraw/zinc/61/61/52/927616152.db2.gz FUEGNQWNWCFWSV-MQYQWHSLSA-N 1 0 268.357 1.933 20 5 CDBDRO Cc1cnc(C[NH3+])n1-c1cc2c(c([N+](=O)[O-])c1)NN(C)C2 ZINC001169030491 927638738 /nfs/dbraw/zinc/63/87/38/927638738.db2.gz DAVZZIFBSQPXGF-UHFFFAOYSA-N 1 0 288.311 1.320 20 5 CDBDRO CCNC(=O)OC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169035153 927644809 /nfs/dbraw/zinc/64/48/09/927644809.db2.gz ASGVHUFIIGJFHQ-NEPJUHHUSA-N 1 0 299.371 1.642 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(n3cccn3)CC2)C1 ZINC001169037120 927646523 /nfs/dbraw/zinc/64/65/23/927646523.db2.gz JBOWHZNXKSQAKQ-OCCSQVGLSA-N 1 0 278.356 1.965 20 5 CDBDRO CCC[N@H+](CC(=O)OCC)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039705 927651657 /nfs/dbraw/zinc/65/16/57/927651657.db2.gz SNHFKXJKIKBRCU-NEPJUHHUSA-N 1 0 272.345 1.707 20 5 CDBDRO C[N@H+](CCC1OCCO1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040126 927653792 /nfs/dbraw/zinc/65/37/92/927653792.db2.gz YBQCDZNBOPEHKB-GHMZBOCLSA-N 1 0 258.318 1.127 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC([NH+]3CCCCC3)C2)C1 ZINC001169040111 927655051 /nfs/dbraw/zinc/65/50/51/927655051.db2.gz XYVUITFSYXESTB-OLZOCXBDSA-N 1 0 267.373 1.602 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCOC[C@@H]2C2CC2)C1 ZINC001169047857 927665152 /nfs/dbraw/zinc/66/51/52/927665152.db2.gz RXPBESVLJRKDPF-KGYLQXTDSA-N 1 0 254.330 1.543 20 5 CDBDRO C[NH+](C)CCC(C)(C)Nc1nccc(N)c1[N+](=O)[O-] ZINC001169718728 928374564 /nfs/dbraw/zinc/37/45/64/928374564.db2.gz USTKKZQKOYEQRT-UHFFFAOYSA-N 1 0 267.333 1.714 20 5 CDBDRO CON(C)C(=O)[C@@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000858325104 928839860 /nfs/dbraw/zinc/83/98/60/928839860.db2.gz LQWZHYXXIDVHOF-LXSSAFMLSA-N 1 0 293.323 1.606 20 5 CDBDRO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000858583356 928890461 /nfs/dbraw/zinc/89/04/61/928890461.db2.gz ZUQJRGOLZJOLHJ-ZJUUUORDSA-N 1 0 281.312 1.654 20 5 CDBDRO CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000861890304 929347514 /nfs/dbraw/zinc/34/75/14/929347514.db2.gz HEZXFGMAJCLWNP-UHFFFAOYSA-N 1 0 285.388 1.765 20 5 CDBDRO C[C@@H]([NH3+])CN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000863565606 929569848 /nfs/dbraw/zinc/56/98/48/929569848.db2.gz OPUDYMFNFHOMFM-NXEZZACHSA-N 1 0 280.328 1.201 20 5 CDBDRO O=[N+]([O-])CC[NH+]1CCC(OCc2ccccc2)CC1 ZINC000798193263 937350131 /nfs/dbraw/zinc/35/01/31/937350131.db2.gz JCNBPOOKLGZXDL-UHFFFAOYSA-N 1 0 264.325 1.944 20 5 CDBDRO C[C@@H](CNc1ccnc(F)c1[N+](=O)[O-])C[NH+](C)C ZINC000882391821 929991349 /nfs/dbraw/zinc/99/13/49/929991349.db2.gz DOIIQDLXRNWPGG-QMMMGPOBSA-N 1 0 256.281 1.739 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)c1C ZINC000884288332 930510556 /nfs/dbraw/zinc/51/05/56/930510556.db2.gz CFBIZKNJSZGWFS-QWRGUYRKSA-N 1 0 277.324 1.773 20 5 CDBDRO O=C(CC1CC1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001154111703 930621923 /nfs/dbraw/zinc/62/19/23/930621923.db2.gz IAWIAMUEAVBRHZ-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO C[C@@H](NCCC[NH2+]C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817984093 930659201 /nfs/dbraw/zinc/65/92/01/930659201.db2.gz MUUHHGJTBATNGV-SNVBAGLBSA-N 1 0 278.356 1.970 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000885981457 930781347 /nfs/dbraw/zinc/78/13/47/930781347.db2.gz GEKQPYMZQXTSAS-ZDUSSCGKSA-N 1 0 276.340 1.660 20 5 CDBDRO COCC[C@@H](C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819368221 930800433 /nfs/dbraw/zinc/80/04/33/930800433.db2.gz FYJYGUCTGYPUMJ-BXUZGUMPSA-N 1 0 282.340 1.890 20 5 CDBDRO C[NH+](C)C[C@H](O)CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000717416960 930942152 /nfs/dbraw/zinc/94/21/52/930942152.db2.gz TZSTZEXTNOPUMK-MRVPVSSYSA-N 1 0 275.255 1.207 20 5 CDBDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2cccnc2[N+](=O)[O-])[C@H]1C ZINC000886841707 930972335 /nfs/dbraw/zinc/97/23/35/930972335.db2.gz SPNSWFBJPVVPDX-NTZNESFSSA-N 1 0 278.356 1.938 20 5 CDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)C[C@]2(C)C1 ZINC000887938985 931263723 /nfs/dbraw/zinc/26/37/23/931263723.db2.gz IYOLQJGQTFEESC-RNCFNFMXSA-N 1 0 295.364 1.680 20 5 CDBDRO CC[C@@H]1[NH2+]CC[C@H]1c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000823235020 931271143 /nfs/dbraw/zinc/27/11/43/931271143.db2.gz OQDHHLOQRLZWKI-ZJUUUORDSA-N 1 0 282.344 1.913 20 5 CDBDRO CC(C)(CCc1noc([C@@H]2C[C@H]3C[C@H]3[NH2+]2)n1)[N+](=O)[O-] ZINC000823235726 931271294 /nfs/dbraw/zinc/27/12/94/931271294.db2.gz VFPDZJBYIWASPD-HLTSFMKQSA-N 1 0 266.301 1.480 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@](C)([NH3+])C1 ZINC001246532603 931624579 /nfs/dbraw/zinc/62/45/79/931624579.db2.gz XCGTVIZSQZBENR-FZMZJTMJSA-N 1 0 263.341 1.949 20 5 CDBDRO C[NH+]1CCC(ONC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000846646846 932096668 /nfs/dbraw/zinc/09/66/68/932096668.db2.gz HAXMCTJLTPMNIJ-UHFFFAOYSA-N 1 0 297.286 1.490 20 5 CDBDRO CON1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000846975142 932180296 /nfs/dbraw/zinc/18/02/96/932180296.db2.gz DJPFTMTUWZMWFM-UHFFFAOYSA-N 1 0 251.286 1.274 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C/C=C\C2CC2)c1 ZINC001118089890 937589424 /nfs/dbraw/zinc/58/94/24/937589424.db2.gz BLXPNCCWDNBWOP-PYLYLYNFSA-N 1 0 292.335 1.890 20 5 CDBDRO O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CCCC[NH2+]3)cn21 ZINC001171335061 932748604 /nfs/dbraw/zinc/74/86/04/932748604.db2.gz RZRUQVKODLMWHL-JTQLQIEISA-N 1 0 275.312 1.797 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(NC[C@H]2CCC[NH2+]C[C@H]2C)n1 ZINC001155025064 937622924 /nfs/dbraw/zinc/62/29/24/937622924.db2.gz LJOUUEDLEHAXRV-MWLCHTKSSA-N 1 0 279.344 1.741 20 5 CDBDRO Cc1nc(-n2cncc2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001155052764 937627261 /nfs/dbraw/zinc/62/72/61/937627261.db2.gz FXSWDBAKUSQMLF-UHFFFAOYSA-N 1 0 287.323 1.951 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2C[NH2+][C@H](C)C2)n1 ZINC001155102184 937635582 /nfs/dbraw/zinc/63/55/82/937635582.db2.gz QDKQHCRTECPHEH-RKDXNWHRSA-N 1 0 294.311 1.186 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NCC[C@H](C)[NH+](C)C ZINC001118600386 937645911 /nfs/dbraw/zinc/64/59/11/937645911.db2.gz IEJAMDNUBLPLJE-JTQLQIEISA-N 1 0 252.318 1.472 20 5 CDBDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2CC[N+](=O)[O-])C1 ZINC000930299809 933352738 /nfs/dbraw/zinc/35/27/38/933352738.db2.gz JFBGNKMMDPYPIH-RFGFWPKPSA-N 1 0 270.373 1.915 20 5 CDBDRO CCOCCN(C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000092885232 934901622 /nfs/dbraw/zinc/90/16/22/934901622.db2.gz KQYUUXIUOQDSIF-UHFFFAOYSA-N 1 0 256.306 1.334 20 5 CDBDRO C[NH+](C)[C@H](CNc1cc(N)c([N+](=O)[O-])cn1)C1CC1 ZINC001120812480 937838255 /nfs/dbraw/zinc/83/82/55/937838255.db2.gz XSSHBHXLXJERDZ-SNVBAGLBSA-N 1 0 265.317 1.324 20 5 CDBDRO C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001122252120 937915513 /nfs/dbraw/zinc/91/55/13/937915513.db2.gz KQJVBJLJWLSGKA-PWSUYJOCSA-N 1 0 277.324 1.914 20 5 CDBDRO COc1cc(C)nc(N(CCC[NH3+])C(C)C)c1[N+](=O)[O-] ZINC001156117814 938320078 /nfs/dbraw/zinc/32/00/78/938320078.db2.gz CIGNSGOOYRMYDF-UHFFFAOYSA-N 1 0 282.344 1.870 20 5 CDBDRO Nc1ccc(C(=O)N[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000052076903 938357037 /nfs/dbraw/zinc/35/70/37/938357037.db2.gz HHFOYWCGTNGOOP-LBPRGKRZSA-N 1 0 290.323 1.001 20 5 CDBDRO Cc1ncc(C[NH3+])c(=N)n1-c1cc(Cl)ncc1[N+](=O)[O-] ZINC001156825430 938422533 /nfs/dbraw/zinc/42/25/33/938422533.db2.gz OOCZNKKHHAJDDA-UHFFFAOYSA-N 1 0 294.702 1.075 20 5 CDBDRO N=C(Nc1ncnc2cc([N+](=O)[O-])ccc21)SCC[NH3+] ZINC001157130037 938457828 /nfs/dbraw/zinc/45/78/28/938457828.db2.gz YMGMZPAYEKLNGM-UHFFFAOYSA-N 1 0 292.324 1.577 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(c3nc(Cl)ncc3[N+](=O)[O-])C[C@@H]21 ZINC001157260586 938471354 /nfs/dbraw/zinc/47/13/54/938471354.db2.gz LETKSEGTNQGORK-WPRPVWTQSA-N 1 0 297.746 1.569 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC001157266055 938472120 /nfs/dbraw/zinc/47/21/20/938472120.db2.gz NHWGVIKLTZQEDP-CABZTGNLSA-N 1 0 280.303 1.659 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N[C@H]1C[NH2+]CC[C@H]1F ZINC001157447497 938492931 /nfs/dbraw/zinc/49/29/31/938492931.db2.gz GQHNTQJDCMWKLI-PWSUYJOCSA-N 1 0 291.286 1.650 20 5 CDBDRO CC(C)Oc1nc(-n2ccnc2C(N)=[NH2+])ccc1[N+](=O)[O-] ZINC001157626021 938522682 /nfs/dbraw/zinc/52/26/82/938522682.db2.gz FMMIRJHJVVIKET-UHFFFAOYSA-N 1 0 290.283 1.247 20 5 CDBDRO CCC[NH+]1C[C@@H]2CN(c3ncc([N+](=O)[O-])c(C)n3)C[C@H]2C1 ZINC001157700142 938534186 /nfs/dbraw/zinc/53/41/86/938534186.db2.gz OEIYKQPAUFRAJN-VXGBXAGGSA-N 1 0 291.355 1.471 20 5 CDBDRO Cc1nc(Cl)nc(N2CCC[C@H]([NH3+])[C@H]2C)c1[N+](=O)[O-] ZINC001157734287 938537805 /nfs/dbraw/zinc/53/78/05/938537805.db2.gz VHTZJXBONDVMGJ-SFYZADRCSA-N 1 0 285.735 1.663 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(-n2cnc3ccc(C[NH3+])cc32)n1 ZINC001158006567 938574557 /nfs/dbraw/zinc/57/45/57/938574557.db2.gz WKSHODKXNGSHAX-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO Cc1c(C)c(N2CC[N@@H+]3CC[C@H]3C2)ncc1[N+](=O)[O-] ZINC001158435059 938626091 /nfs/dbraw/zinc/62/60/91/938626091.db2.gz VXADNPISQFREQS-NSHDSACASA-N 1 0 262.313 1.501 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@](C)(C[NH3+])C1 ZINC001158673609 938648982 /nfs/dbraw/zinc/64/89/82/938648982.db2.gz KNQFMZHERJOJHZ-ZDUSSCGKSA-N 1 0 264.329 1.863 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2ccc(C[NH3+])c2)n1 ZINC001158766913 938661617 /nfs/dbraw/zinc/66/16/17/938661617.db2.gz JNICCRJWJSVARZ-UHFFFAOYSA-N 1 0 276.252 1.026 20 5 CDBDRO COc1nc(Nc2cccc(CC[NH3+])c2)ncc1[N+](=O)[O-] ZINC001161077968 938869020 /nfs/dbraw/zinc/86/90/20/938869020.db2.gz KBOWFRNWYWVCQF-UHFFFAOYSA-N 1 0 289.295 1.638 20 5 CDBDRO Cc1c(N[C@@H](C)CN2CC[NH2+]CC2)cc(F)cc1[N+](=O)[O-] ZINC001162093537 938955345 /nfs/dbraw/zinc/95/53/45/938955345.db2.gz YIPXHGOKLKSYTH-JTQLQIEISA-N 1 0 296.346 1.748 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](Nc2ncnc3[nH]cc([N+](=O)[O-])c32)C1 ZINC001162393306 939043083 /nfs/dbraw/zinc/04/30/83/939043083.db2.gz JXYSOSWNJZUMPH-SFYZADRCSA-N 1 0 276.300 1.548 20 5 CDBDRO COc1cnc(NC[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC001162475691 939063643 /nfs/dbraw/zinc/06/36/43/939063643.db2.gz DADRGKOLMZPERR-YUMQZZPRSA-N 1 0 270.264 1.110 20 5 CDBDRO COc1cnc(N[C@@H]2CC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC001162670701 939111763 /nfs/dbraw/zinc/11/17/63/939111763.db2.gz YMCRWDOFMIBBRY-HTQZYQBOSA-N 1 0 252.274 1.161 20 5 CDBDRO Cc1ccnc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)c1[N+](=O)[O-] ZINC001162792213 939141230 /nfs/dbraw/zinc/14/12/30/939141230.db2.gz GIJRCDMLHJSCCG-HBNTYKKESA-N 1 0 260.297 1.484 20 5 CDBDRO COc1cnc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)c([N+](=O)[O-])c1 ZINC001162792787 939141846 /nfs/dbraw/zinc/14/18/46/939141846.db2.gz IBQMPUXKHXNGFX-DVVUODLYSA-N 1 0 276.296 1.184 20 5 CDBDRO COc1ncc([N+](=O)[O-])c(N[C@@]23CCC[C@@H]2[NH2+]CC3)n1 ZINC001162977525 939167267 /nfs/dbraw/zinc/16/72/67/939167267.db2.gz BSGCMEKJBOAXKA-JOYOIKCWSA-N 1 0 279.300 1.090 20 5 CDBDRO Cc1cc(Cl)c(N(CC[NH3+])CCO)c([N+](=O)[O-])c1 ZINC001163839438 939340338 /nfs/dbraw/zinc/34/03/38/939340338.db2.gz LDHKQSWTLKVVRH-UHFFFAOYSA-N 1 0 273.720 1.314 20 5 CDBDRO [NH3+][C@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC001164281778 939445723 /nfs/dbraw/zinc/44/57/23/939445723.db2.gz MSWXJHKONJLZNY-JTQLQIEISA-N 1 0 258.281 1.680 20 5 CDBDRO C[C@@H]1CC[C@H](C[NH3+])CN1c1nc(Cl)ncc1[N+](=O)[O-] ZINC001164456887 939474953 /nfs/dbraw/zinc/47/49/53/939474953.db2.gz UUDMFMSVHJRKIW-HTQZYQBOSA-N 1 0 285.735 1.602 20 5 CDBDRO C[NH+]1C[C@@H]2CN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)C[C@H]2C1 ZINC001165146792 939518072 /nfs/dbraw/zinc/51/80/72/939518072.db2.gz BRLLRYLYEBAKJR-NXEZZACHSA-N 1 0 287.323 1.469 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)C[C@H]2C1 ZINC001165150579 939519315 /nfs/dbraw/zinc/51/93/15/939519315.db2.gz RXOMZPKXMKQQES-PHIMTYICSA-N 1 0 299.334 1.536 20 5 CDBDRO Cc1cc(Cl)nc(N2C[C@@H]3C[C@]3([NH3+])C2)c1[N+](=O)[O-] ZINC001165315279 939544435 /nfs/dbraw/zinc/54/44/35/939544435.db2.gz SBSMKQZTCPVKNV-CPCISQLKSA-N 1 0 268.704 1.489 20 5 CDBDRO Cc1c(F)cc([N+](=O)[O-])cc1-n1ccnc1CC[NH3+] ZINC001166410048 939608272 /nfs/dbraw/zinc/60/82/72/939608272.db2.gz GIMPTZIBPPVVSS-UHFFFAOYSA-N 1 0 264.260 1.729 20 5 CDBDRO O=[N+]([O-])c1cncc(Cl)c1NC[C@H]1COCC[NH2+]1 ZINC000302588930 940805501 /nfs/dbraw/zinc/80/55/01/940805501.db2.gz UAYLNZUKEYSNOJ-ZETCQYMHSA-N 1 0 272.692 1.044 20 5 CDBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001218287059 941052710 /nfs/dbraw/zinc/05/27/10/941052710.db2.gz VORBATVCFZTRIR-VIFPVBQESA-N 1 0 267.241 1.634 20 5 CDBDRO COC(=O)c1ccc(CO[C@H](C)C[N+](C)(C)C)nc1 ZINC001222969414 941646208 /nfs/dbraw/zinc/64/62/08/941646208.db2.gz RASXIPGECNDHPZ-LLVKDONJSA-N 1 0 267.349 1.480 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OC/C=C/C(=O)OC(C)(C)C ZINC001224998226 941812533 /nfs/dbraw/zinc/81/25/33/941812533.db2.gz PMTYEHCTUKZSRC-IDVQTMNDSA-N 1 0 258.382 1.996 20 5 CDBDRO CC(C)c1ncccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225523539 941873767 /nfs/dbraw/zinc/87/37/67/941873767.db2.gz HMQNCCKMBAMLTI-GFCCVEGCSA-N 1 0 281.376 1.568 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOc2cccnc2[N+](=O)[O-])C1 ZINC001225629321 941891718 /nfs/dbraw/zinc/89/17/18/941891718.db2.gz KKNARLBJYMAZNM-SNVBAGLBSA-N 1 0 267.285 1.089 20 5 CDBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ncc([N+](=O)[O-])cn1)C2 ZINC001226730363 942058989 /nfs/dbraw/zinc/05/89/89/942058989.db2.gz DQHZRPDJXFZFCI-DOFRTFSJSA-N 1 0 264.285 1.389 20 5 CDBDRO C[NH+](C)C1CCC(Oc2ncc([N+](=O)[O-])cn2)CC1 ZINC001226733633 942059748 /nfs/dbraw/zinc/05/97/48/942059748.db2.gz RFUHZOPQTSEFKM-UHFFFAOYSA-N 1 0 266.301 1.636 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001227043605 942120618 /nfs/dbraw/zinc/12/06/18/942120618.db2.gz GPRCMFBWYISFOO-JTQLQIEISA-N 1 0 297.331 1.855 20 5 CDBDRO CC(=O)c1ccc(C)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001228349001 942302459 /nfs/dbraw/zinc/30/24/59/942302459.db2.gz KEUVWIRRNIJRQB-CQSZACIVSA-N 1 0 294.371 1.560 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1nc(Cl)nc2[nH]cnc21 ZINC001228507214 942328209 /nfs/dbraw/zinc/32/82/09/942328209.db2.gz JDHHMQAWDFDDIR-ZETCQYMHSA-N 1 0 270.744 1.480 20 5 CDBDRO C[N@@H+]1CCC[C@@H](Oc2ncncc2[N+](=O)[O-])CC1 ZINC001228656499 942349364 /nfs/dbraw/zinc/34/93/64/942349364.db2.gz FULZVQJCGFMHEJ-SECBINFHSA-N 1 0 252.274 1.248 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOc2cc(=O)[nH]c(C)c2[N+](=O)[O-])C1 ZINC001228688950 942359063 /nfs/dbraw/zinc/35/90/63/942359063.db2.gz NHMMJDQBHZHGBC-SNVBAGLBSA-N 1 0 297.311 1.103 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1n[nH]c(-c2cccnc2)n1 ZINC001228698172 942360906 /nfs/dbraw/zinc/36/09/06/942360906.db2.gz OGLDVNMWWFGIPA-JTQLQIEISA-N 1 0 262.337 1.340 20 5 CDBDRO COC(=O)c1ccc(C)nc1O[C@@H](C)C[N+](C)(C)C ZINC001228789501 942378040 /nfs/dbraw/zinc/37/80/40/942378040.db2.gz GHNQVMQVWVZOBP-NSHDSACASA-N 1 0 267.349 1.650 20 5 CDBDRO C[NH+]1CCC(Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)CC1 ZINC001230225417 942592471 /nfs/dbraw/zinc/59/24/71/942592471.db2.gz TZNCRCYVYPCTMS-UHFFFAOYSA-N 1 0 277.284 1.339 20 5 CDBDRO COC(=O)c1ccc(O)c(O[C@@H](C)C[N+](C)(C)C)c1C ZINC001230254930 942595927 /nfs/dbraw/zinc/59/59/27/942595927.db2.gz DKWDSPZUUVEDSC-JTQLQIEISA-O 1 0 282.360 1.961 20 5 CDBDRO CCOC(=O)Cc1ccc(O)cc1O[C@@H](C)C[N+](C)(C)C ZINC001230402867 942618696 /nfs/dbraw/zinc/61/86/96/942618696.db2.gz KZNAMEUAUIKFIJ-LBPRGKRZSA-O 1 0 296.387 1.971 20 5 CDBDRO C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001262705733 943677341 /nfs/dbraw/zinc/67/73/41/943677341.db2.gz QYFUJPZPVZTXDV-MFKMUULPSA-N 1 0 296.346 1.780 20 5 CDBDRO COCC[NH2+]CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001263197197 943783161 /nfs/dbraw/zinc/78/31/61/943783161.db2.gz OUAZMXDWDDUGPD-JTQLQIEISA-N 1 0 281.312 1.008 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2CC[C@H](CC[NH3+])C2)c1[N+](=O)[O-] ZINC001263213353 943790181 /nfs/dbraw/zinc/79/01/81/943790181.db2.gz SZLVFYNPHJCLIW-JTQLQIEISA-N 1 0 295.314 1.853 20 5 CDBDRO CC[N@@H+]1CCC[C@H](Oc2nc(OC)ccc2[N+](=O)[O-])C1 ZINC001234881669 943967215 /nfs/dbraw/zinc/96/72/15/943967215.db2.gz RXBGWWRIPKEVNR-JTQLQIEISA-N 1 0 281.312 1.862 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccns2)c1 ZINC001262559090 946707551 /nfs/dbraw/zinc/70/75/51/946707551.db2.gz ZMNAHVWKAYGNTP-LBPRGKRZSA-N 1 0 279.321 1.875 20 5 CDBDRO Nc1cc[nH+]cc1-c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC001254167715 947320213 /nfs/dbraw/zinc/32/02/13/947320213.db2.gz YHCKLXCGNVZADT-UHFFFAOYSA-N 1 0 298.262 1.356 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](O)C1 ZINC001254536263 947515778 /nfs/dbraw/zinc/51/57/78/947515778.db2.gz BEBMMEGMIIFTTF-DLOVCJGASA-N 1 0 250.298 1.639 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CCOCC1)C2 ZINC001254565611 947528726 /nfs/dbraw/zinc/52/87/26/947528726.db2.gz DUGYVWGCVGKXQV-CYBMUJFWSA-N 1 0 262.309 1.831 20 5 CDBDRO CC(C)N(CC[NH3+])[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254571977 947530202 /nfs/dbraw/zinc/53/02/02/947530202.db2.gz FTPPWEYEQYDDTI-CQSZACIVSA-N 1 0 263.341 1.731 20 5 CDBDRO CN1CCC[C@@H]1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572576 947532770 /nfs/dbraw/zinc/53/27/70/947532770.db2.gz QNWDYANVXLWXKF-DZGCQCFKSA-N 1 0 275.352 1.746 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cnccn1)C2 ZINC001254573096 947532865 /nfs/dbraw/zinc/53/28/65/947532865.db2.gz WQCFKZYSEILXBY-LBPRGKRZSA-N 1 0 270.292 1.642 20 5 CDBDRO CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254578785 947535805 /nfs/dbraw/zinc/53/58/05/947535805.db2.gz NEAPZYIUKMPRJA-MGPQQGTHSA-N 1 0 289.335 1.319 20 5 CDBDRO COC(=O)C[C@H](C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580581 947537664 /nfs/dbraw/zinc/53/76/64/947537664.db2.gz GQSUKYJBECHRRN-CABZTGNLSA-N 1 0 278.308 1.603 20 5 CDBDRO N=c1cc(C[NH3+])ccn1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254584449 947540411 /nfs/dbraw/zinc/54/04/11/947540411.db2.gz SGGMKXHEQDYGJW-CQSZACIVSA-N 1 0 284.319 1.674 20 5 CDBDRO [NH3+]CCc1ncn([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254584133 947540720 /nfs/dbraw/zinc/54/07/20/947540720.db2.gz PYOLQZQYGAWGRK-GFCCVEGCSA-N 1 0 273.296 1.027 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCc3nncn3CC1)C2 ZINC001254595864 947546032 /nfs/dbraw/zinc/54/60/32/947546032.db2.gz ZXIJGAGXVHMXBG-AWEZNQCLSA-N 1 0 299.334 1.212 20 5 CDBDRO CC1(CO)C[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254595903 947547108 /nfs/dbraw/zinc/54/71/08/947547108.db2.gz AGGVUUZLGGZJPN-ZDUSSCGKSA-N 1 0 262.309 1.376 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CC3(CC(O)C3)C1)C2 ZINC001254599682 947548512 /nfs/dbraw/zinc/54/85/12/947548512.db2.gz OLHIMEARSNOBQS-ZDUSSCGKSA-N 1 0 274.320 1.519 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@H]1CO)C2 ZINC001254601088 947549594 /nfs/dbraw/zinc/54/95/94/947549594.db2.gz ZBXPPJMABTXHFW-GJZGRUSLSA-N 1 0 276.336 1.909 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(CCO)CCO ZINC001246332373 948111686 /nfs/dbraw/zinc/11/16/86/948111686.db2.gz INDUCZTUIRLENS-NSHDSACASA-N 1 0 282.340 1.249 20 5 CDBDRO COc1ccc(C[C@H](C)N[C@H]2CC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001246447280 948178730 /nfs/dbraw/zinc/17/87/30/948178730.db2.gz VLEZAJJCMAXUQB-HZMBPMFUSA-N 1 0 291.351 1.486 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246655348 948390869 /nfs/dbraw/zinc/39/08/69/948390869.db2.gz KZXCBZKTCHHUOC-CORIIIEPSA-N 1 0 275.352 1.949 20 5 CDBDRO N[C@]12C[C@H]1C[N@@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001246870891 948495103 /nfs/dbraw/zinc/49/51/03/948495103.db2.gz PRUDTHSXKJBOKV-LZWOXQAQSA-N 1 0 287.363 1.875 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001246922889 948523060 /nfs/dbraw/zinc/52/30/60/948523060.db2.gz XFDPVJBXSQXUQT-OSMZGAPFSA-N 1 0 261.325 1.429 20 5 CDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCn2nc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001328047579 955171693 /nfs/dbraw/zinc/17/16/93/955171693.db2.gz XRAJEQFCLPLTAB-NXEZZACHSA-N 1 0 297.315 1.677 20 5 CDBDRO Cn1cc([N+](=O)[O-])c(NC[C@@H](C2CC2)[NH+](C)C)n1 ZINC001306958298 956353553 /nfs/dbraw/zinc/35/35/53/956353553.db2.gz IMRPPICRJSTILM-VIFPVBQESA-N 1 0 253.306 1.080 20 5 CDBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001337067295 960908684 /nfs/dbraw/zinc/90/86/84/960908684.db2.gz XGEPMHKAYBSPSC-UWVGGRQHSA-N 1 0 279.344 1.857 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)c1cc(N)c([N+](=O)[O-])cn1 ZINC001339751661 962517688 /nfs/dbraw/zinc/51/76/88/962517688.db2.gz CSDJIHSWZRJQOD-SECBINFHSA-N 1 0 265.317 1.102 20 5 CDBDRO C[NH2+]C1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001340701824 963079434 /nfs/dbraw/zinc/07/94/34/963079434.db2.gz PYTUJAVUCUEQJR-UHFFFAOYSA-N 1 0 293.323 1.232 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001341430680 963414508 /nfs/dbraw/zinc/41/45/08/963414508.db2.gz GWSCAPOSTVSAMU-YNEHKIRRSA-N 1 0 289.335 1.694 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N[C@@H]1CCN(c2ccccn2)C1 ZINC001341816725 963551186 /nfs/dbraw/zinc/55/11/86/963551186.db2.gz RPLJUZGWDLNWSE-GFCCVEGCSA-N 1 0 299.334 1.806 20 5 CDBDRO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC001341889599 963573535 /nfs/dbraw/zinc/57/35/35/963573535.db2.gz OOCMLCHYJHDBQF-ICGCDAGXSA-N 1 0 289.335 1.504 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001344410728 964302674 /nfs/dbraw/zinc/30/26/74/964302674.db2.gz MITHJTKTCPMPAZ-WPRPVWTQSA-N 1 0 293.348 1.503 20 5 CDBDRO C[C@@H](O)C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000847094836 967027621 /nfs/dbraw/zinc/02/76/21/967027621.db2.gz PGJRVGKOISUIDY-QMTHXVAHSA-N 1 0 280.324 1.473 20 5 CDBDRO CO[C@H](C)[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001353340348 967910959 /nfs/dbraw/zinc/91/09/59/967910959.db2.gz RIQZVZDPKFEEPM-QJPTWQEYSA-N 1 0 298.339 1.348 20 5 CDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1cc(N)c([N+](=O)[O-])cn1 ZINC001515470812 969896546 /nfs/dbraw/zinc/89/65/46/969896546.db2.gz QYHNIGLBGHUMSF-SNVBAGLBSA-N 1 0 279.344 1.350 20 5 CDBDRO COc1cc(C(=O)N2CC[C@@H](CC[NH3+])C2)ccc1[N+](=O)[O-] ZINC001523019742 970632938 /nfs/dbraw/zinc/63/29/38/970632938.db2.gz XZZNOYRQWIADAL-SNVBAGLBSA-N 1 0 293.323 1.414 20 5 CDBDRO CCOc1cc(CN2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001573801523 1170783075 /nfs/dbraw/zinc/78/30/75/1170783075.db2.gz YQUBCZOWFRMXSI-UHFFFAOYSA-N 1 0 265.313 1.399 20 5 CDBDRO CN(C(=O)[C@H]([NH3+])C(C)(C)C)c1ccc([N+](=O)[O-])nc1 ZINC001573851678 1170804502 /nfs/dbraw/zinc/80/45/02/1170804502.db2.gz XWJQMTHMHZPRCW-JTQLQIEISA-N 1 0 266.301 1.326 20 5 CDBDRO CC(C)(C[NH3+])C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC001575310326 1171149150 /nfs/dbraw/zinc/14/91/50/1171149150.db2.gz HHMRPPWVTOKZGR-UHFFFAOYSA-N 1 0 294.355 1.760 20 5 CDBDRO C[C@H]([NH3+])CN(C)C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001576153457 1171342338 /nfs/dbraw/zinc/34/23/38/1171342338.db2.gz UJLCCINHAPGYNO-MNOVXSKESA-N 1 0 294.355 1.687 20 5 CDBDRO C[NH+](C)CC1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000601217393 342515947 /nfs/dbraw/zinc/51/59/47/342515947.db2.gz PYASDBVEQBFYFJ-UHFFFAOYSA-N 1 0 296.302 1.759 20 5 CDBDRO CCOc1cc(N[C@@H](CO)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000589102029 342497022 /nfs/dbraw/zinc/49/70/22/342497022.db2.gz UJFCIKXYNDPNLE-LLVKDONJSA-N 1 0 283.328 1.328 20 5 CDBDRO COc1cc(NCC[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])cc1C ZINC000599199436 343979109 /nfs/dbraw/zinc/97/91/09/343979109.db2.gz KXIYEQOWEVFQPA-NSHDSACASA-N 1 0 295.339 1.390 20 5 CDBDRO CCOC[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231885104 341994843 /nfs/dbraw/zinc/99/48/43/341994843.db2.gz ADPWOLMQGBNXHR-GFCCVEGCSA-N 1 0 268.313 1.390 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000590402866 342544053 /nfs/dbraw/zinc/54/40/53/342544053.db2.gz IVAQYYNIYFMVMT-RNCFNFMXSA-N 1 0 295.314 1.899 20 5 CDBDRO Cc1c([C@H](C)[NH2+]CCOCCO)cccc1[N+](=O)[O-] ZINC000159137849 398172824 /nfs/dbraw/zinc/17/28/24/398172824.db2.gz PWDSFFPFEXGXHN-NSHDSACASA-N 1 0 268.313 1.563 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CCC([NH2+]CCO)CC2)cc1 ZINC000601328488 342554461 /nfs/dbraw/zinc/55/44/61/342554461.db2.gz RGQPQMYIGGWCJN-UHFFFAOYSA-N 1 0 279.340 1.141 20 5 CDBDRO COc1ccc(C(=O)NC(C)(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000293763525 365543804 /nfs/dbraw/zinc/54/38/04/365543804.db2.gz XSKVWWJNTJMELW-UHFFFAOYSA-N 1 0 295.339 1.851 20 5 CDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000590569900 342576963 /nfs/dbraw/zinc/57/69/63/342576963.db2.gz UOHCFQFQOJUYCZ-ONGXEEELSA-N 1 0 250.302 1.519 20 5 CDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000590569801 342577037 /nfs/dbraw/zinc/57/70/37/342577037.db2.gz SNNXFZWSYVWJRP-IUCAKERBSA-N 1 0 295.368 1.833 20 5 CDBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1COCCO1 ZINC000590702470 342582441 /nfs/dbraw/zinc/58/24/41/342582441.db2.gz ZPWGEOZRFSOWIV-CYBMUJFWSA-N 1 0 266.297 1.442 20 5 CDBDRO CO[C@@H](C)CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000608837828 342076875 /nfs/dbraw/zinc/07/68/75/342076875.db2.gz MMHMOXYUQQBCGP-JTQLQIEISA-N 1 0 296.323 1.881 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC000096088692 185093927 /nfs/dbraw/zinc/09/39/27/185093927.db2.gz WORMGPZRRVOOPF-TXEJJXNPSA-N 1 0 289.335 1.537 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CCC[NH2+]C1)OCCO2 ZINC000591276797 342623970 /nfs/dbraw/zinc/62/39/70/342623970.db2.gz ADZKBGCBMJLADT-LLVKDONJSA-N 1 0 293.323 1.208 20 5 CDBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1C[C@@H](O)C1 ZINC000591473438 342634420 /nfs/dbraw/zinc/63/44/20/342634420.db2.gz XYDYTSZSGVLOOQ-BJHJDKERSA-N 1 0 250.298 1.798 20 5 CDBDRO Cc1c(C(=O)N2CCC(C)([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000592331199 342685235 /nfs/dbraw/zinc/68/52/35/342685235.db2.gz OFGYYCPYYPGELT-UHFFFAOYSA-N 1 0 277.324 1.857 20 5 CDBDRO CC(=O)c1ccc(OC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000592160884 342670729 /nfs/dbraw/zinc/67/07/29/342670729.db2.gz BDGHWCMYCHUYHK-SNVBAGLBSA-N 1 0 264.281 1.786 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592438934 342693038 /nfs/dbraw/zinc/69/30/38/342693038.db2.gz WGGFWWKBEVAOQN-NXEZZACHSA-N 1 0 295.339 1.581 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)CO)o2)cc1 ZINC000059820611 342155349 /nfs/dbraw/zinc/15/53/49/342155349.db2.gz PZTGFWKMJUTPMM-GFCCVEGCSA-N 1 0 292.291 1.298 20 5 CDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000592539158 342708203 /nfs/dbraw/zinc/70/82/03/342708203.db2.gz XVEAHJGZBKKVGN-UTUOFQBUSA-N 1 0 275.308 1.004 20 5 CDBDRO C[NH2+]CCN(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000070304457 361918278 /nfs/dbraw/zinc/91/82/78/361918278.db2.gz POOSIGFHKWHRTB-UHFFFAOYSA-N 1 0 253.302 1.255 20 5 CDBDRO Cc1cnc(NC[C@H](C)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000078658240 342205039 /nfs/dbraw/zinc/20/50/39/342205039.db2.gz QUGSRQYXEQMYBP-LBPRGKRZSA-N 1 0 293.371 1.346 20 5 CDBDRO O=C([C@@H]1CCC[NH2+]CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000593902719 342853862 /nfs/dbraw/zinc/85/38/62/342853862.db2.gz UWQXVBYQEDKJPD-GFCCVEGCSA-N 1 0 289.335 1.874 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C[C@@H](C)O)C1CC1 ZINC000594054415 342872881 /nfs/dbraw/zinc/87/28/81/342872881.db2.gz GGBRQZABJLXFGB-SNVBAGLBSA-N 1 0 280.324 1.949 20 5 CDBDRO C[N@H+](CC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000600820034 342250756 /nfs/dbraw/zinc/25/07/56/342250756.db2.gz KELFVUWIJWGMQL-UHFFFAOYSA-N 1 0 291.351 1.738 20 5 CDBDRO CO[C@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000600759155 342247883 /nfs/dbraw/zinc/24/78/83/342247883.db2.gz FIULACQVNBUOPJ-MPKXVKKWSA-N 1 0 296.323 1.102 20 5 CDBDRO C[NH2+]C1(CNC(=O)c2cccc(C)c2[N+](=O)[O-])CCC1 ZINC000600823677 342251404 /nfs/dbraw/zinc/25/14/04/342251404.db2.gz IHKDYMLMYDUJFA-UHFFFAOYSA-N 1 0 277.324 1.775 20 5 CDBDRO CC(C)Oc1nc(N(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000594552702 342916500 /nfs/dbraw/zinc/91/65/00/342916500.db2.gz ISQMSOHWTKUWOD-UHFFFAOYSA-N 1 0 282.344 1.775 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000092952509 342270411 /nfs/dbraw/zinc/27/04/11/342270411.db2.gz IDALORYTIDCUDF-GXSJLCMTSA-N 1 0 263.297 1.840 20 5 CDBDRO Cc1c(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000127796955 342285414 /nfs/dbraw/zinc/28/54/14/342285414.db2.gz CXJSXVDIRVBSIL-MFKMUULPSA-N 1 0 293.323 1.091 20 5 CDBDRO COC[C@]1(CNc2ccc([N+](=O)[O-])c(C)n2)CCC[NH2+]1 ZINC000261703350 536687561 /nfs/dbraw/zinc/68/75/61/536687561.db2.gz IRNXDDUSXCLHKO-CYBMUJFWSA-N 1 0 280.328 1.479 20 5 CDBDRO Cc1nccn1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000049330189 282209092 /nfs/dbraw/zinc/20/90/92/282209092.db2.gz QCSHLQGKSYDGNP-UHFFFAOYSA-N 1 0 260.297 1.890 20 5 CDBDRO CCc1nn(C)c(NCC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000091561677 349777579 /nfs/dbraw/zinc/77/75/79/349777579.db2.gz RIFTTWHNNQZGPP-UHFFFAOYSA-N 1 0 281.360 1.644 20 5 CDBDRO CC[NH+]1CCN(CCCNc2ncccc2[N+](=O)[O-])CC1 ZINC000075469731 342311058 /nfs/dbraw/zinc/31/10/58/342311058.db2.gz AGZBHXMUWSBOOW-UHFFFAOYSA-N 1 0 293.371 1.429 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000235719527 362018462 /nfs/dbraw/zinc/01/84/62/362018462.db2.gz XCQQPTNYBYLVEA-WDEREUQCSA-N 1 0 277.324 1.774 20 5 CDBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000077995721 342332944 /nfs/dbraw/zinc/33/29/44/342332944.db2.gz BWZGDGNQZRRAMU-GFCCVEGCSA-N 1 0 279.340 1.975 20 5 CDBDRO CC1(C)CC[NH2+][C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000595930674 343184247 /nfs/dbraw/zinc/18/42/47/343184247.db2.gz CCANXTRYONGXJN-ZDUSSCGKSA-N 1 0 291.351 1.642 20 5 CDBDRO O=C1CCCC12CC[NH+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000595804639 343158427 /nfs/dbraw/zinc/15/84/27/343158427.db2.gz ASDYAQBZQDFRMF-UHFFFAOYSA-N 1 0 292.339 1.627 20 5 CDBDRO CCCc1n[nH]c(C(=O)NCC2([NH3+])CCCC2)c1[N+](=O)[O-] ZINC000595940320 343203186 /nfs/dbraw/zinc/20/31/86/343203186.db2.gz CJBLTMJZLJJIMO-UHFFFAOYSA-N 1 0 295.343 1.272 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH3+])CCCC2)c1 ZINC000595940173 343203389 /nfs/dbraw/zinc/20/33/89/343203389.db2.gz BRJDKALAFCXXLM-UHFFFAOYSA-N 1 0 277.324 1.905 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[NH2+]C ZINC000595983669 343211149 /nfs/dbraw/zinc/21/11/49/343211149.db2.gz QHRJASVIRIMXDV-SECBINFHSA-N 1 0 281.312 1.331 20 5 CDBDRO C[C@]1(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[NH2+]C1 ZINC000595993247 343213361 /nfs/dbraw/zinc/21/33/61/343213361.db2.gz XMHQCTRUYLXCAL-AWEZNQCLSA-N 1 0 289.291 1.823 20 5 CDBDRO CC(C)[NH2+]C1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596104606 343228003 /nfs/dbraw/zinc/22/80/03/343228003.db2.gz IOMHGDKRQZVFNV-UHFFFAOYSA-N 1 0 280.328 1.662 20 5 CDBDRO C[NH2+]C[C@H](C)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000596106319 343228599 /nfs/dbraw/zinc/22/85/99/343228599.db2.gz ODCGZFODFLSPKN-VIFPVBQESA-N 1 0 281.312 1.064 20 5 CDBDRO Cc1cc(NC(=O)N[C@]2(C)CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000596122160 343248339 /nfs/dbraw/zinc/24/83/39/343248339.db2.gz LTYTWURFQGZVQU-CYBMUJFWSA-N 1 0 278.312 1.777 20 5 CDBDRO Nc1ccc(NCCC[NH+]2CCCCC2)nc1[N+](=O)[O-] ZINC000596062430 343223728 /nfs/dbraw/zinc/22/37/28/343223728.db2.gz OFCQNTCWRJSINL-UHFFFAOYSA-N 1 0 279.344 1.282 20 5 CDBDRO Cc1cc(NC[C@@](C)(O)C[NH+](C)C)c([N+](=O)[O-])s1 ZINC000596173633 343259837 /nfs/dbraw/zinc/25/98/37/343259837.db2.gz ZIAPHPRWUQSBFD-LLVKDONJSA-N 1 0 273.358 1.689 20 5 CDBDRO Cc1ccnc(NCCN2C[C@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000596434023 343320523 /nfs/dbraw/zinc/32/05/23/343320523.db2.gz WOZKIGVNFZRKKS-RYUDHWBXSA-N 1 0 294.355 1.819 20 5 CDBDRO C[N@@H+]1CCC[C@H](CCNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596272239 343293901 /nfs/dbraw/zinc/29/39/01/343293901.db2.gz VGRDZTRLBYFWBT-SNVBAGLBSA-N 1 0 280.328 1.839 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH2+][C@@H](C)C1 ZINC000092454952 342412461 /nfs/dbraw/zinc/41/24/61/342412461.db2.gz XMXZRRHXRPKBQS-NSHDSACASA-N 1 0 279.340 1.787 20 5 CDBDRO Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597922648 343662498 /nfs/dbraw/zinc/66/24/98/343662498.db2.gz JYCJRBIHBQYXQT-VIFPVBQESA-N 1 0 295.343 1.229 20 5 CDBDRO C[C@H](CCNC(=O)COc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000597998139 343685229 /nfs/dbraw/zinc/68/52/29/343685229.db2.gz PFUDDZCCMZJWEV-LLVKDONJSA-N 1 0 295.339 1.430 20 5 CDBDRO Cc1cc(C(=O)N2CC[NH2+][C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000598572758 343832931 /nfs/dbraw/zinc/83/29/31/343832931.db2.gz GUEHAXAAUFGADE-ZDUSSCGKSA-N 1 0 291.351 1.973 20 5 CDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1ccc(F)cc1[N+](=O)[O-])C2 ZINC000598670298 343872358 /nfs/dbraw/zinc/87/23/58/343872358.db2.gz UCHHNLQGJXYVFA-OTYXRUKQSA-N 1 0 293.298 1.687 20 5 CDBDRO [NH3+][C@]12CCC[C@H]1CN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000598680383 343875316 /nfs/dbraw/zinc/87/53/16/343875316.db2.gz AJBROWRKMGOFRG-JSGCOSHPSA-N 1 0 261.325 1.908 20 5 CDBDRO CCOc1cc(C[N@H+](C)CCC(=O)NC)ccc1[N+](=O)[O-] ZINC000276976001 362257756 /nfs/dbraw/zinc/25/77/56/362257756.db2.gz XOOFPNSFNAJBEC-UHFFFAOYSA-N 1 0 295.339 1.561 20 5 CDBDRO Cc1nn(C)c(NC[C@@H]2CCCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000599140569 343959764 /nfs/dbraw/zinc/95/97/64/343959764.db2.gz VUKQGDAXOODREF-NSHDSACASA-N 1 0 281.360 1.781 20 5 CDBDRO Cc1cccc(NCC[N@@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000599176363 343966179 /nfs/dbraw/zinc/96/61/79/343966179.db2.gz RNDNMDDHRFPSCD-LLVKDONJSA-N 1 0 265.313 1.382 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1[N+](=O)[O-] ZINC000599989165 344160585 /nfs/dbraw/zinc/16/05/85/344160585.db2.gz UKEDTCFJXIRDLE-IMRBUKKESA-N 1 0 289.335 1.535 20 5 CDBDRO Cc1ccc(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1[N+](=O)[O-] ZINC000601566230 344193045 /nfs/dbraw/zinc/19/30/45/344193045.db2.gz HSAPQFCERVHZFB-QWRGUYRKSA-N 1 0 276.296 1.481 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000127217401 187290261 /nfs/dbraw/zinc/29/02/61/187290261.db2.gz LIZXMFHXWWJRCZ-NTYUQYKDSA-N 1 0 275.308 1.428 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000128541341 344324203 /nfs/dbraw/zinc/32/42/03/344324203.db2.gz YNCPSOCWSBUYPC-BXUZGUMPSA-N 1 0 279.340 1.185 20 5 CDBDRO C[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000602432999 344424998 /nfs/dbraw/zinc/42/49/98/344424998.db2.gz JLYBYEKBTDNCNF-QMMMGPOBSA-N 1 0 267.260 1.168 20 5 CDBDRO COc1ccc(CN2CC[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000263246887 362387184 /nfs/dbraw/zinc/38/71/84/362387184.db2.gz NEXHPRGUDAAXTP-UHFFFAOYSA-N 1 0 279.340 1.787 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000602598909 344503956 /nfs/dbraw/zinc/50/39/56/344503956.db2.gz LBAWXURYBVECNM-ONGXEEELSA-N 1 0 263.297 1.465 20 5 CDBDRO [NH3+][C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000602481168 344447574 /nfs/dbraw/zinc/44/75/74/344447574.db2.gz AFJCOFWNFCYWAP-SECBINFHSA-N 1 0 267.260 1.201 20 5 CDBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000602531666 344455954 /nfs/dbraw/zinc/45/59/54/344455954.db2.gz WISZFXBKGRVUMS-CQSZACIVSA-N 1 0 291.351 1.594 20 5 CDBDRO CCOCC[N@H+](CC)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602775662 344578353 /nfs/dbraw/zinc/57/83/53/344578353.db2.gz LYWQNCVLRBKAHZ-UHFFFAOYSA-N 1 0 270.333 1.458 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602826859 344612477 /nfs/dbraw/zinc/61/24/77/344612477.db2.gz OHWIZTPOCXUMAY-CMPLNLGQSA-N 1 0 282.344 1.599 20 5 CDBDRO CCOC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C(C)C ZINC000602830110 344613490 /nfs/dbraw/zinc/61/34/90/344613490.db2.gz KLIDIQJQAQWZFE-LBPRGKRZSA-N 1 0 284.360 1.750 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000602812019 344604197 /nfs/dbraw/zinc/60/41/97/344604197.db2.gz RPKOUBORPYAKGD-ONGXEEELSA-N 1 0 268.317 1.114 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCC[C@H]1C ZINC000602817354 344607317 /nfs/dbraw/zinc/60/73/17/344607317.db2.gz BANKSKKWENFWOR-MWLCHTKSSA-N 1 0 252.318 1.878 20 5 CDBDRO CC[C@@]1(O)CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602983347 344675235 /nfs/dbraw/zinc/67/52/35/344675235.db2.gz IPQIKKJFISSDLQ-CYBMUJFWSA-N 1 0 282.344 1.337 20 5 CDBDRO CC[C@@H]([NH3+])c1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000603202589 344734256 /nfs/dbraw/zinc/73/42/56/344734256.db2.gz KYZPSHIVPXCGLR-SNVBAGLBSA-N 1 0 279.275 1.784 20 5 CDBDRO C[C@@](C[NH3+])(NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000127277143 187293544 /nfs/dbraw/zinc/29/35/44/187293544.db2.gz DUBOSBFDKDBOBM-ULYATVDSSA-N 1 0 289.335 1.852 20 5 CDBDRO COCC[N@H+](C)CCCNc1cccnc1[N+](=O)[O-] ZINC000603853571 344840350 /nfs/dbraw/zinc/84/03/50/344840350.db2.gz FSBPPGASDJTQQT-UHFFFAOYSA-N 1 0 268.317 1.370 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@H](C[NH3+])C1CC1 ZINC000159796177 362522242 /nfs/dbraw/zinc/52/22/42/362522242.db2.gz KJGPXIHXBQJPJR-GFCCVEGCSA-N 1 0 281.287 1.543 20 5 CDBDRO COC[C@@](C)([NH3+])CNc1cc(C)c([N+](=O)[O-])cc1F ZINC000292772568 362505740 /nfs/dbraw/zinc/50/57/40/362505740.db2.gz WXSQRGSMOJRERH-LBPRGKRZSA-N 1 0 271.292 1.818 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cccc(O)c2Cl)c1 ZINC000293205586 362540132 /nfs/dbraw/zinc/54/01/32/362540132.db2.gz IYZDJRLIDNMMCW-UHFFFAOYSA-N 1 0 296.714 1.940 20 5 CDBDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC001578948894 1172058366 /nfs/dbraw/zinc/05/83/66/1172058366.db2.gz QRGNJULIGJRICX-FZMZJTMJSA-N 1 0 293.323 1.609 20 5 CDBDRO CCOc1ccc(C(=O)NC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000033093456 345441606 /nfs/dbraw/zinc/44/16/06/345441606.db2.gz MELAGKXHIPDCMJ-SNVBAGLBSA-N 1 0 295.339 1.673 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000129585515 345640698 /nfs/dbraw/zinc/64/06/98/345640698.db2.gz BPCGYPLCVYFEHK-QWHCGFSZSA-N 1 0 280.324 1.852 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000085370623 179040851 /nfs/dbraw/zinc/04/08/51/179040851.db2.gz MRHWMXMIIMNSKH-UONOGXRCSA-N 1 0 291.351 1.771 20 5 CDBDRO COCC[C@@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001579012686 1172082252 /nfs/dbraw/zinc/08/22/52/1172082252.db2.gz PKWINDJJVCUDGK-GFCCVEGCSA-N 1 0 297.330 1.544 20 5 CDBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000611084420 346603633 /nfs/dbraw/zinc/60/36/33/346603633.db2.gz VPDBTDARMTVJKJ-JTQLQIEISA-N 1 0 250.302 1.520 20 5 CDBDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000152892486 347630172 /nfs/dbraw/zinc/63/01/72/347630172.db2.gz JQCYFJKMNQHPRS-GFCCVEGCSA-N 1 0 263.297 1.305 20 5 CDBDRO CC[NH2+]Cc1cn(Cc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000090296139 347651385 /nfs/dbraw/zinc/65/13/85/347651385.db2.gz OYNOPCXOBACSEH-UHFFFAOYSA-N 1 0 295.730 1.998 20 5 CDBDRO CN(CC1([NH+](C)C)CCC1)c1cccnc1[N+](=O)[O-] ZINC000614982743 348292459 /nfs/dbraw/zinc/29/24/59/348292459.db2.gz HIZFVJDKTSVNRV-UHFFFAOYSA-N 1 0 264.329 1.910 20 5 CDBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC1 ZINC000060792998 358454196 /nfs/dbraw/zinc/45/41/96/358454196.db2.gz KHTDDTOOTHQDSR-UHFFFAOYSA-N 1 0 272.264 1.626 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[N@H+](C)CC1 ZINC000015261240 348522208 /nfs/dbraw/zinc/52/22/08/348522208.db2.gz LUUSSOHOGXXVAP-UHFFFAOYSA-N 1 0 279.340 1.741 20 5 CDBDRO CC(C)C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000065961752 348969934 /nfs/dbraw/zinc/96/99/34/348969934.db2.gz ANFXSKAITVWFIN-ZDUSSCGKSA-N 1 0 282.340 1.922 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091546653 180187113 /nfs/dbraw/zinc/18/71/13/180187113.db2.gz AESFQYBGUXRNFM-UWVGGRQHSA-N 1 0 263.297 1.969 20 5 CDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000106880495 186145702 /nfs/dbraw/zinc/14/57/02/186145702.db2.gz LVUXBAHBTWTUOF-GFCCVEGCSA-N 1 0 266.297 1.694 20 5 CDBDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000092470811 180392617 /nfs/dbraw/zinc/39/26/17/180392617.db2.gz IBVJRCCOMRIQAT-GFCCVEGCSA-N 1 0 250.298 1.860 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000412104859 365967850 /nfs/dbraw/zinc/96/78/50/365967850.db2.gz OHKUOVSQQIKPEC-SLEUVZQESA-N 1 0 294.351 1.639 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000109849872 186277475 /nfs/dbraw/zinc/27/74/75/186277475.db2.gz DQRLTWKLDXEOOQ-JTQLQIEISA-N 1 0 263.297 1.276 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000110463493 186296828 /nfs/dbraw/zinc/29/68/28/186296828.db2.gz GRPFQTGBQLNVAJ-GFCCVEGCSA-N 1 0 266.297 1.430 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1C[C@@H](C)O ZINC000312781125 350792386 /nfs/dbraw/zinc/79/23/86/350792386.db2.gz FWBNOEITDNEYHG-PWSUYJOCSA-N 1 0 282.344 1.335 20 5 CDBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C1CC1 ZINC000079767432 350966759 /nfs/dbraw/zinc/96/67/59/350966759.db2.gz KWSJTMQCBHZQQM-ZDUSSCGKSA-N 1 0 250.298 1.798 20 5 CDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000209367955 351120018 /nfs/dbraw/zinc/12/00/18/351120018.db2.gz XZQYKRQHMNQPRR-QDSCNLCFSA-N 1 0 287.319 1.428 20 5 CDBDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000036781487 363012388 /nfs/dbraw/zinc/01/23/88/363012388.db2.gz UUUBXAIRPAOKFT-JTQLQIEISA-N 1 0 265.313 1.770 20 5 CDBDRO CC[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000124750884 351194746 /nfs/dbraw/zinc/19/47/46/351194746.db2.gz RGSSXGNRLXPZSA-NSHDSACASA-N 1 0 254.286 1.464 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000124807251 351373072 /nfs/dbraw/zinc/37/30/72/351373072.db2.gz VHGCYCDOZDVSCY-GXSJLCMTSA-N 1 0 263.297 1.547 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000156443365 351491025 /nfs/dbraw/zinc/49/10/25/351491025.db2.gz NTMNSKFGODJHMA-CABZTGNLSA-N 1 0 294.311 1.175 20 5 CDBDRO CO[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000167249941 363071193 /nfs/dbraw/zinc/07/11/93/363071193.db2.gz CAUGICYBCLZJLB-ZJUUUORDSA-N 1 0 299.352 1.235 20 5 CDBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000454358412 252344377 /nfs/dbraw/zinc/34/43/77/252344377.db2.gz QKEYKXINZGACCG-UHFFFAOYSA-N 1 0 280.328 1.527 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000122637696 187043527 /nfs/dbraw/zinc/04/35/27/187043527.db2.gz XDZNEMGTLVMXDB-QMMMGPOBSA-N 1 0 269.326 1.480 20 5 CDBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000152241468 188004929 /nfs/dbraw/zinc/00/49/29/188004929.db2.gz FOCCKUKZSRGLIF-SNVBAGLBSA-N 1 0 282.296 1.049 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000295165726 199383420 /nfs/dbraw/zinc/38/34/20/199383420.db2.gz FKWUOYMWROQKIB-MRVPVSSYSA-N 1 0 269.276 1.591 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)C[NH+](C)C ZINC000292512192 198315437 /nfs/dbraw/zinc/31/54/37/198315437.db2.gz YFCPVMFQPKRDOX-SNVBAGLBSA-N 1 0 279.340 1.831 20 5 CDBDRO C[C@H](O)C[C@H]1COCCN1Cc1ccccc1[N+](=O)[O-] ZINC000157282509 188307712 /nfs/dbraw/zinc/30/77/12/188307712.db2.gz FIHNZNGXTTVEOU-AAEUAGOBSA-N 1 0 280.324 1.567 20 5 CDBDRO COc1cc(C(=O)N2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000156670832 188275307 /nfs/dbraw/zinc/27/53/07/188275307.db2.gz GSHOGFXRECLMIZ-UHFFFAOYSA-N 1 0 279.296 1.039 20 5 CDBDRO COc1cc(C(=O)N[C@H](C[NH3+])CC(C)C)ccc1[N+](=O)[O-] ZINC000156719341 188278362 /nfs/dbraw/zinc/27/83/62/188278362.db2.gz XUGUVJUNLZDTCF-NSHDSACASA-N 1 0 295.339 1.707 20 5 CDBDRO Cc1cc(NC[C@@](C)(O)C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000292540562 198326184 /nfs/dbraw/zinc/32/61/84/198326184.db2.gz IGYKHNGSUNYBLD-CYBMUJFWSA-N 1 0 285.319 1.767 20 5 CDBDRO Cn1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000112837749 366158083 /nfs/dbraw/zinc/15/80/83/366158083.db2.gz BFXVRYPIVDLUNW-UHFFFAOYSA-N 1 0 260.297 1.661 20 5 CDBDRO O=C(NCC1=CC[NH2+]CC1)c1csc([N+](=O)[O-])c1 ZINC000169288693 188655739 /nfs/dbraw/zinc/65/57/39/188655739.db2.gz GXSMYIBSWPUWHB-UHFFFAOYSA-N 1 0 267.310 1.306 20 5 CDBDRO Cc1c(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000411942608 363379617 /nfs/dbraw/zinc/37/96/17/363379617.db2.gz PWTNUYMYVGGCEN-ZDUSSCGKSA-N 1 0 291.351 1.813 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063198895 363397640 /nfs/dbraw/zinc/39/76/40/363397640.db2.gz FMVGLLPTSZDBTG-NSHDSACASA-N 1 0 293.323 1.792 20 5 CDBDRO C[NH+](C)CC1(CNc2ncc([N+](=O)[O-])c(N)n2)CCCC1 ZINC000273528537 192189824 /nfs/dbraw/zinc/18/98/24/192189824.db2.gz UDLMXTBAKWAUJV-UHFFFAOYSA-N 1 0 294.359 1.501 20 5 CDBDRO CC(C)[C@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000219416942 356341095 /nfs/dbraw/zinc/34/10/95/356341095.db2.gz JPLGSQLGGDKKKT-LBPRGKRZSA-N 1 0 297.311 2.000 20 5 CDBDRO CC(C)(C)NC(=O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000134593123 356355388 /nfs/dbraw/zinc/35/53/88/356355388.db2.gz UMHCSSSQVSVFDY-UHFFFAOYSA-N 1 0 279.340 1.989 20 5 CDBDRO C[N@@H+]1CC[C@H]2CCN(c3ncccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272190775 283153205 /nfs/dbraw/zinc/15/32/05/283153205.db2.gz MHOYBHZSEGEQHT-CMPLNLGQSA-N 1 0 262.313 1.520 20 5 CDBDRO CC(C)[NH+]1CCC(N(C)c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273604883 192226735 /nfs/dbraw/zinc/22/67/35/192226735.db2.gz KGFMWVWOXDXNEF-UHFFFAOYSA-N 1 0 279.344 1.694 20 5 CDBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1O ZINC000286449532 356423861 /nfs/dbraw/zinc/42/38/61/356423861.db2.gz JTPPKHMUGCLQKJ-CHWSQXEVSA-N 1 0 250.298 1.940 20 5 CDBDRO COc1cccc(NC[C@@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000134919837 356534178 /nfs/dbraw/zinc/53/41/78/356534178.db2.gz XQIKHPPQGMEBDY-LLVKDONJSA-N 1 0 294.355 1.261 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(CCCO)CC2)n1 ZINC000360085092 356674544 /nfs/dbraw/zinc/67/45/44/356674544.db2.gz OWKCANPMZNJBFV-UHFFFAOYSA-N 1 0 282.344 1.276 20 5 CDBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000119040374 357223754 /nfs/dbraw/zinc/22/37/54/357223754.db2.gz VKLOVJKRAMLEKR-RYUDHWBXSA-N 1 0 280.324 1.988 20 5 CDBDRO Cc1cccc(C(=O)NCC(C)(C)[NH+](C)C)c1[N+](=O)[O-] ZINC000048411967 357182654 /nfs/dbraw/zinc/18/26/54/357182654.db2.gz MQKNOUIFSDGIQG-UHFFFAOYSA-N 1 0 279.340 1.973 20 5 CDBDRO CC[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331262197 357292392 /nfs/dbraw/zinc/29/23/92/357292392.db2.gz CVEBOFNILCVOGJ-PWSUYJOCSA-N 1 0 268.317 1.027 20 5 CDBDRO C[C@@H](O)CC[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182249054 357424738 /nfs/dbraw/zinc/42/47/38/357424738.db2.gz BPDWVVPHNSXPMY-NEPJUHHUSA-N 1 0 298.339 1.037 20 5 CDBDRO CC(C)[N@H+](CCOCCO)Cc1cccc([N+](=O)[O-])c1 ZINC000283776225 357599892 /nfs/dbraw/zinc/59/98/92/357599892.db2.gz QIFGSYYNVOCBPH-UHFFFAOYSA-N 1 0 282.340 1.814 20 5 CDBDRO CN(C(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000135228398 357799348 /nfs/dbraw/zinc/79/93/48/357799348.db2.gz JPCQVJYHYYBXBQ-VIFPVBQESA-N 1 0 267.260 1.168 20 5 CDBDRO CC1(C)C[NH2+]CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135241258 357805993 /nfs/dbraw/zinc/80/59/93/357805993.db2.gz KEZHVIMNZDKMGA-UHFFFAOYSA-N 1 0 277.324 1.348 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000236865478 357928974 /nfs/dbraw/zinc/92/89/74/357928974.db2.gz ZTSYBUBXHDSYBG-JTQLQIEISA-N 1 0 295.339 1.851 20 5 CDBDRO O=[N+]([O-])c1c(F)cccc1NCC[N@@H+]1CCCOCC1 ZINC000188501372 357904083 /nfs/dbraw/zinc/90/40/83/357904083.db2.gz PERDXUBEFGUFRY-UHFFFAOYSA-N 1 0 283.303 1.868 20 5 CDBDRO C[C@H](O)C[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000189361045 357999712 /nfs/dbraw/zinc/99/97/12/357999712.db2.gz UMMGFDDIMHAMBV-LBPRGKRZSA-N 1 0 279.340 1.093 20 5 CDBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000286885303 358023550 /nfs/dbraw/zinc/02/35/50/358023550.db2.gz AMUQEFYFHVIJIO-JTQLQIEISA-N 1 0 293.327 1.065 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000286965251 358047014 /nfs/dbraw/zinc/04/70/14/358047014.db2.gz LMIZDBWPEDSYAJ-VIFPVBQESA-N 1 0 299.302 1.179 20 5 CDBDRO CCC[NH2+][C@@H](C)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000294685507 199133795 /nfs/dbraw/zinc/13/37/95/199133795.db2.gz FOWVIQJPOWQDMY-NSHDSACASA-N 1 0 294.355 1.511 20 5 CDBDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000193622629 358309838 /nfs/dbraw/zinc/30/98/38/358309838.db2.gz HCKAEFPJNNKAJV-GWCFXTLKSA-N 1 0 277.324 1.252 20 5 CDBDRO Cc1nc(N(C)CC2([NH+](C)C)CCC2)ncc1[N+](=O)[O-] ZINC000294838520 199206164 /nfs/dbraw/zinc/20/61/64/199206164.db2.gz BDTSKAFIYLCNPB-UHFFFAOYSA-N 1 0 279.344 1.614 20 5 CDBDRO CC[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341583091 358666350 /nfs/dbraw/zinc/66/63/50/358666350.db2.gz JZLPQDFZIAKQAV-NSHDSACASA-N 1 0 265.313 1.631 20 5 CDBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000264904833 358761777 /nfs/dbraw/zinc/76/17/77/358761777.db2.gz CTDORSCWHCJTPG-SNVBAGLBSA-N 1 0 294.359 1.643 20 5 CDBDRO C[NH2+]CCSCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000567808827 358737806 /nfs/dbraw/zinc/73/78/06/358737806.db2.gz ABRJRACYOVOJJQ-UHFFFAOYSA-N 1 0 295.364 1.437 20 5 CDBDRO CCOC(=O)CN(CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000176215014 358741084 /nfs/dbraw/zinc/74/10/84/358741084.db2.gz QSLCFBHOFQOXHM-UHFFFAOYSA-N 1 0 284.316 1.065 20 5 CDBDRO Cc1c(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000186807839 358825473 /nfs/dbraw/zinc/82/54/73/358825473.db2.gz SODYGDUDGVHLMY-BXKDBHETSA-N 1 0 277.324 1.631 20 5 CDBDRO [NH3+]C1(CO)CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000301248990 283407397 /nfs/dbraw/zinc/40/73/97/283407397.db2.gz CNQUBOGSPYUEBU-UHFFFAOYSA-N 1 0 269.276 1.024 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000084726591 358975716 /nfs/dbraw/zinc/97/57/16/358975716.db2.gz QWSAWCPWMSICQT-LBPRGKRZSA-N 1 0 278.356 1.561 20 5 CDBDRO Cc1ccc(NC(=O)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000070201610 358924574 /nfs/dbraw/zinc/92/45/74/358924574.db2.gz LOFNIQBVMABIKB-UHFFFAOYSA-N 1 0 251.286 1.971 20 5 CDBDRO Cc1cccc(C(=O)N[C@H](C)[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000381332890 359038364 /nfs/dbraw/zinc/03/83/64/359038364.db2.gz BXTDTWXPTRPPED-RKDXNWHRSA-N 1 0 251.286 1.369 20 5 CDBDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000451731977 359073759 /nfs/dbraw/zinc/07/37/59/359073759.db2.gz SFRAUGWBUGPIMF-LLVKDONJSA-N 1 0 281.360 1.244 20 5 CDBDRO CNC(=O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549590 359062105 /nfs/dbraw/zinc/06/21/05/359062105.db2.gz POCWVIADALNPTP-LBPRGKRZSA-N 1 0 277.324 1.520 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(N)=O)cc1[N+](=O)[O-] ZINC000035792700 359241000 /nfs/dbraw/zinc/24/10/00/359241000.db2.gz ZKUFQGKVEBSZSL-IUCAKERBSA-N 1 0 251.286 1.428 20 5 CDBDRO C[C@H](NC(=O)[C@H](C)[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000296523663 199919497 /nfs/dbraw/zinc/91/94/97/199919497.db2.gz SFIVDCZBGKWGLY-UWVGGRQHSA-N 1 0 277.324 1.913 20 5 CDBDRO CC[NH+]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000033304833 359311524 /nfs/dbraw/zinc/31/15/24/359311524.db2.gz PKFLBUOTMDPGEA-SREVYHEPSA-N 1 0 289.335 1.772 20 5 CDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000111829038 359267264 /nfs/dbraw/zinc/26/72/64/359267264.db2.gz FCEPIMSIRNOCDT-QMMMGPOBSA-N 1 0 271.342 1.760 20 5 CDBDRO [NH3+]CCCCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000570028740 359272920 /nfs/dbraw/zinc/27/29/20/359272920.db2.gz LYDPNCQPGYVGOO-UHFFFAOYSA-N 1 0 266.301 1.133 20 5 CDBDRO COC(=O)[C@H]1CCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000050050746 359281253 /nfs/dbraw/zinc/28/12/53/359281253.db2.gz GZQWMNZXMIFNPI-CYBMUJFWSA-N 1 0 278.308 1.775 20 5 CDBDRO COc1ccc(C[NH2+]CC(C)(C)O)cc1[N+](=O)[O-] ZINC000112675296 359342210 /nfs/dbraw/zinc/34/22/10/359342210.db2.gz PZHASUYBGNQYIO-UHFFFAOYSA-N 1 0 254.286 1.464 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1N[C@H](CO)C[NH+]1CCCCC1 ZINC000288826604 359403350 /nfs/dbraw/zinc/40/33/50/359403350.db2.gz BESDKRIHIAQIKE-LBPRGKRZSA-N 1 0 297.330 1.993 20 5 CDBDRO [NH3+]C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000050246402 359407783 /nfs/dbraw/zinc/40/77/83/359407783.db2.gz ISDSKQCFFTXONG-SECBINFHSA-N 1 0 264.285 1.407 20 5 CDBDRO CSC[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296736823 359443141 /nfs/dbraw/zinc/44/31/41/359443141.db2.gz ONAYOAIVWKPXQL-JOYOIKCWSA-N 1 0 270.354 1.969 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000571831747 359618387 /nfs/dbraw/zinc/61/83/87/359618387.db2.gz OAFUKBNUINIUKO-CQSZACIVSA-N 1 0 289.335 1.838 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000130340351 359643592 /nfs/dbraw/zinc/64/35/92/359643592.db2.gz PFHYYERHMHHTBJ-MRVPVSSYSA-N 1 0 271.342 1.904 20 5 CDBDRO CC[NH+](CC)CCOCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000347875381 359898616 /nfs/dbraw/zinc/89/86/16/359898616.db2.gz IHXNQKVHYBABLP-UHFFFAOYSA-N 1 0 296.371 1.490 20 5 CDBDRO CCCN(CCC[NH+](C)C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000347898650 359924989 /nfs/dbraw/zinc/92/49/89/359924989.db2.gz DVHWBUOJJUYMKP-UHFFFAOYSA-N 1 0 297.359 1.132 20 5 CDBDRO CC[NH2+]CCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000054263458 360064849 /nfs/dbraw/zinc/06/48/49/360064849.db2.gz GFQMHLHZZORWJD-UHFFFAOYSA-N 1 0 251.286 1.243 20 5 CDBDRO CC[NH2+]CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000054263358 360065030 /nfs/dbraw/zinc/06/50/30/360065030.db2.gz SPPQYNRDLQFCFN-VMPITWQZSA-N 1 0 263.297 1.334 20 5 CDBDRO C[NH2+]CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000063159389 360071473 /nfs/dbraw/zinc/07/14/73/360071473.db2.gz FMKHBWLVVDALBP-UHFFFAOYSA-N 1 0 291.351 1.975 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@]2(O)CCSC2)cc1 ZINC000176751158 189007340 /nfs/dbraw/zinc/00/73/40/189007340.db2.gz QZQOCZHSQDZGMW-LBPRGKRZSA-N 1 0 268.338 1.552 20 5 CDBDRO C[C@@H]1[NH2+]CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000514783989 360225741 /nfs/dbraw/zinc/22/57/41/360225741.db2.gz ZUJKIYGJHOTNBE-QWRGUYRKSA-N 1 0 292.339 1.487 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)[NH+](C)C)n1 ZINC000166738843 360270326 /nfs/dbraw/zinc/27/03/26/360270326.db2.gz FCRKYTPCEMVPSB-QMMMGPOBSA-N 1 0 282.300 1.138 20 5 CDBDRO CCC[N@H+](C)CC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000340431858 360706232 /nfs/dbraw/zinc/70/62/32/360706232.db2.gz JUOJIDSDNFXQBO-UHFFFAOYSA-N 1 0 279.340 1.595 20 5 CDBDRO CC(C)([NH3+])CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000129617111 360783745 /nfs/dbraw/zinc/78/37/45/360783745.db2.gz WQSMLNOWTLCUGA-UHFFFAOYSA-N 1 0 252.274 1.454 20 5 CDBDRO C[N@@H+]1CC[C@@](O)(CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000358297689 360936871 /nfs/dbraw/zinc/93/68/71/360936871.db2.gz FSYGKTUKZXBEQS-LLVKDONJSA-N 1 0 286.719 1.122 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000294710122 361227618 /nfs/dbraw/zinc/22/76/18/361227618.db2.gz BLIOBCHZCLRWFV-JTQLQIEISA-N 1 0 281.312 1.217 20 5 CDBDRO CC[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000295851595 370693692 /nfs/dbraw/zinc/69/36/92/370693692.db2.gz DYQHDAGOIQMETC-JHJVBQTASA-N 1 0 266.297 1.395 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000382423631 361352932 /nfs/dbraw/zinc/35/29/32/361352932.db2.gz CUZARMUUVPIVKO-KOLCDFICSA-N 1 0 278.312 1.844 20 5 CDBDRO [NH3+][C@H](CC(F)F)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000345682673 361394373 /nfs/dbraw/zinc/39/43/73/361394373.db2.gz AZZGVOURGIIBNB-SECBINFHSA-N 1 0 285.250 1.466 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000168704523 361397016 /nfs/dbraw/zinc/39/70/16/361397016.db2.gz CGIVWJCHYFTOCS-ZYHUDNBSSA-N 1 0 277.324 1.713 20 5 CDBDRO CC[NH2+]CCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000036282005 361420296 /nfs/dbraw/zinc/42/02/96/361420296.db2.gz PNQWOHXJKWBOGO-UHFFFAOYSA-N 1 0 265.313 1.253 20 5 CDBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])s2)CC[N@@H+](C2CC2)C1 ZINC000294891597 361609580 /nfs/dbraw/zinc/60/95/80/361609580.db2.gz HCGTXIZASVIYFW-SECBINFHSA-N 1 0 282.369 1.972 20 5 CDBDRO CCOc1cc(N2CC([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000301996200 201292610 /nfs/dbraw/zinc/29/26/10/201292610.db2.gz HQCNUSFMDKNCDR-UHFFFAOYSA-N 1 0 265.313 1.744 20 5 CDBDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000580431702 363907476 /nfs/dbraw/zinc/90/74/76/363907476.db2.gz XWSWZVUGYRBFFQ-TUAOUCFPSA-N 1 0 298.339 1.084 20 5 CDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCn2nccc2[N+](=O)[O-])C1 ZINC000581835578 364044916 /nfs/dbraw/zinc/04/49/16/364044916.db2.gz DXLFELYCUNDRPZ-PHIMTYICSA-N 1 0 252.318 1.769 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ncn(C)n2)cc1[N+](=O)[O-] ZINC000148685743 364104829 /nfs/dbraw/zinc/10/48/29/364104829.db2.gz WIRRMZYUXPNTRI-LLVKDONJSA-N 1 0 289.339 1.925 20 5 CDBDRO CN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C)C1 ZINC000172755889 364181551 /nfs/dbraw/zinc/18/15/51/364181551.db2.gz ROAUYSDRMDALDV-SNVBAGLBSA-N 1 0 283.353 1.823 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C[NH3+])CC2)c1 ZINC000088147692 364262267 /nfs/dbraw/zinc/26/22/67/364262267.db2.gz DBQAUEJIBAIZMN-UHFFFAOYSA-N 1 0 277.324 1.714 20 5 CDBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(C)C ZINC000174818637 364574317 /nfs/dbraw/zinc/57/43/17/364574317.db2.gz LLCWFPLPTRQGHJ-UHFFFAOYSA-N 1 0 270.333 1.396 20 5 CDBDRO Cc1c(C[NH2+][C@H](CO)[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000411998524 239898030 /nfs/dbraw/zinc/89/80/30/239898030.db2.gz WGPWZOQRPKFKPK-ZIAGYGMSSA-N 1 0 294.351 1.780 20 5 CDBDRO O=C(NCC[C@H]1CCC[NH2+]C1)c1csc([N+](=O)[O-])c1 ZINC000104359259 364806786 /nfs/dbraw/zinc/80/67/86/364806786.db2.gz IMGGBCZIARQOGI-SECBINFHSA-N 1 0 283.353 1.776 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCO)C2CCOCC2)cc1 ZINC000275617882 193087842 /nfs/dbraw/zinc/08/78/42/193087842.db2.gz TXHZWCBFOFJIJQ-UHFFFAOYSA-N 1 0 280.324 1.568 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000459756988 366934497 /nfs/dbraw/zinc/93/44/97/366934497.db2.gz OQLAIHNGHVAWIY-VHRBIJSZSA-N 1 0 280.324 1.529 20 5 CDBDRO C[NH2+][C@H](C)Cc1noc(-c2ccc([N+](=O)[O-])cc2OC)n1 ZINC000414644364 241293734 /nfs/dbraw/zinc/29/37/34/241293734.db2.gz MHADKFNDJQTDFH-MRVPVSSYSA-N 1 0 292.295 1.804 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1([NH3+])CCC1 ZINC000414651322 241300865 /nfs/dbraw/zinc/30/08/65/241300865.db2.gz BXXJZERUFBEREC-UHFFFAOYSA-N 1 0 278.312 1.906 20 5 CDBDRO Cc1c(NC(=O)NC[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000414697261 241333240 /nfs/dbraw/zinc/33/32/40/241333240.db2.gz IHXQLFHFDPZNAW-SNVBAGLBSA-N 1 0 278.312 1.777 20 5 CDBDRO Cc1c(NC(=O)NC2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000414699936 241336794 /nfs/dbraw/zinc/33/67/94/241336794.db2.gz JVYZHOCIXZQMSS-UHFFFAOYSA-N 1 0 278.312 1.777 20 5 CDBDRO C[C@H](NC(=O)N(C)CC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417135994 242333473 /nfs/dbraw/zinc/33/34/73/242333473.db2.gz JXTVPTMISVKSNW-VIFPVBQESA-N 1 0 266.301 1.256 20 5 CDBDRO C[C@@H](NC(=O)NC[C@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000417145704 242336608 /nfs/dbraw/zinc/33/66/08/242336608.db2.gz XHPSUQGQUWAYLE-RNCFNFMXSA-N 1 0 292.339 1.692 20 5 CDBDRO C[NH2+]CCCNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000417187729 242351363 /nfs/dbraw/zinc/35/13/63/242351363.db2.gz GXSKODCDVUTCPN-UHFFFAOYSA-N 1 0 296.327 1.012 20 5 CDBDRO [NH3+]CCCCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417225181 242367185 /nfs/dbraw/zinc/36/71/85/242367185.db2.gz IYBDERMUYFEBCS-UHFFFAOYSA-N 1 0 280.328 1.175 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000272297780 367674099 /nfs/dbraw/zinc/67/40/99/367674099.db2.gz QCAMLNONZZURTJ-MNOVXSKESA-N 1 0 293.323 1.169 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000054613246 367729492 /nfs/dbraw/zinc/72/94/92/367729492.db2.gz DWARFIZHANVIFV-LLVKDONJSA-N 1 0 250.302 1.886 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)[C@@H]2C1 ZINC000272437755 367732440 /nfs/dbraw/zinc/73/24/40/367732440.db2.gz IFVOUKAZDJMLSK-MWLCHTKSSA-N 1 0 278.312 1.089 20 5 CDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418375267 243000419 /nfs/dbraw/zinc/00/04/19/243000419.db2.gz HINFPJVFIMLLTD-GFCCVEGCSA-N 1 0 292.339 1.141 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000418704048 243355569 /nfs/dbraw/zinc/35/55/69/243355569.db2.gz MNSBWGHWRNWDJL-LLVKDONJSA-N 1 0 294.355 1.864 20 5 CDBDRO C[S@](=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000280561876 291451774 /nfs/dbraw/zinc/45/17/74/291451774.db2.gz FXQGZYUYDICFJJ-IBGZPJMESA-N 1 0 282.365 1.986 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](CN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)C1 ZINC000420292676 244036289 /nfs/dbraw/zinc/03/62/89/244036289.db2.gz XDKLRSPDAOCNDO-NXEZZACHSA-N 1 0 289.339 1.822 20 5 CDBDRO C[NH2+]CCCN(C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420391186 244193320 /nfs/dbraw/zinc/19/33/20/244193320.db2.gz RSXLAXCVPZTCIS-LLVKDONJSA-N 1 0 294.355 1.463 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000037646939 369495243 /nfs/dbraw/zinc/49/52/43/369495243.db2.gz HZCYPUXGOMUDOB-VIFPVBQESA-N 1 0 297.742 1.930 20 5 CDBDRO O=C(N[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000052092984 284205068 /nfs/dbraw/zinc/20/50/68/284205068.db2.gz MIIXNHUDBCAQSK-QMMMGPOBSA-N 1 0 269.688 1.340 20 5 CDBDRO C[NH2+]CCN[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414830346 370451357 /nfs/dbraw/zinc/45/13/57/370451357.db2.gz NXTYQJUXAVTVCK-NSHDSACASA-N 1 0 251.330 1.725 20 5 CDBDRO Cc1c(CC(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000422832110 245311991 /nfs/dbraw/zinc/31/19/91/245311991.db2.gz XOKZRQIBCSGUSA-QWRGUYRKSA-N 1 0 291.351 1.655 20 5 CDBDRO O=C(NCC[NH2+]C1CCCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000422858232 245342705 /nfs/dbraw/zinc/34/27/05/245342705.db2.gz IDMVOHDXJYFKIK-UHFFFAOYSA-N 1 0 295.343 1.360 20 5 CDBDRO Cc1c(CC(=O)N2CCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000422878673 245364612 /nfs/dbraw/zinc/36/46/12/245364612.db2.gz JNXFRANURAHZIV-GFCCVEGCSA-N 1 0 277.324 1.395 20 5 CDBDRO C[NH+](C)CCCNC(=O)CSc1ccc([N+](=O)[O-])cn1 ZINC000180002347 372330220 /nfs/dbraw/zinc/33/02/20/372330220.db2.gz IUHNIUZVZNABDQ-UHFFFAOYSA-N 1 0 298.368 1.150 20 5 CDBDRO CC[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000344643255 372791603 /nfs/dbraw/zinc/79/16/03/372791603.db2.gz VFFSQEKKQHDZQD-UHFFFAOYSA-N 1 0 280.328 1.479 20 5 CDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000266378125 372778105 /nfs/dbraw/zinc/77/81/05/372778105.db2.gz HRNWJPJJNRNCJY-SNVBAGLBSA-N 1 0 295.343 1.040 20 5 CDBDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000164319601 373232061 /nfs/dbraw/zinc/23/20/61/373232061.db2.gz FRFHDXJYVLTQNT-QZTNRIJFSA-N 1 0 262.356 1.513 20 5 CDBDRO Cc1ccc(NC(=O)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000298421434 373520751 /nfs/dbraw/zinc/52/07/51/373520751.db2.gz VOODFGLAMVLRPS-JTQLQIEISA-N 1 0 280.328 1.975 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@H]2CO)cc1 ZINC000065534023 373654317 /nfs/dbraw/zinc/65/43/17/373654317.db2.gz HEZFNKIZVDOWDQ-ZDUSSCGKSA-N 1 0 280.324 1.820 20 5 CDBDRO Cc1ccc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000368372673 373832077 /nfs/dbraw/zinc/83/20/77/373832077.db2.gz AXGXNZVLAPGFSR-CYBMUJFWSA-N 1 0 289.335 1.775 20 5 CDBDRO Cc1c(CC(=O)N[C@H]2CC[NH2+][C@H](C)C2)cccc1[N+](=O)[O-] ZINC000423624490 245944608 /nfs/dbraw/zinc/94/46/08/245944608.db2.gz PSJBTNUDUFVSLG-MFKMUULPSA-N 1 0 291.351 1.702 20 5 CDBDRO Cc1occc1C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266561781 373987623 /nfs/dbraw/zinc/98/76/23/373987623.db2.gz JQFVOALSKBRSSG-ZDUSSCGKSA-N 1 0 294.311 1.186 20 5 CDBDRO C[C@@H]([NH3+])CCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423717774 246000535 /nfs/dbraw/zinc/00/05/35/246000535.db2.gz BNSXRQZWGUVGDL-SSDOTTSWSA-N 1 0 277.284 1.537 20 5 CDBDRO Cc1c(CC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000423751773 246028015 /nfs/dbraw/zinc/02/80/15/246028015.db2.gz WJHWGGHWKDLNIR-DGCLKSJQSA-N 1 0 291.351 1.689 20 5 CDBDRO C[C@H](NC(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000417993631 374254948 /nfs/dbraw/zinc/25/49/48/374254948.db2.gz YCNFBONYKCJGRV-QWRGUYRKSA-N 1 0 292.339 1.707 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](O)C2)cc1 ZINC000065208351 374256786 /nfs/dbraw/zinc/25/67/86/374256786.db2.gz MPEWZZJMQKXSDS-LBPRGKRZSA-N 1 0 266.297 1.430 20 5 CDBDRO C[C@H](NCc1cnn(C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000296136208 374372124 /nfs/dbraw/zinc/37/21/24/374372124.db2.gz UVNRFRNKCGDRFZ-VIFPVBQESA-N 1 0 261.285 1.574 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC3(CCOCC3)C2)n1 ZINC000370030268 374374345 /nfs/dbraw/zinc/37/43/45/374374345.db2.gz WFUHQHXAGBTAHG-UHFFFAOYSA-N 1 0 294.355 1.684 20 5 CDBDRO O=C(C[C@H]1CC[NH2+]C1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423856680 246150201 /nfs/dbraw/zinc/15/02/01/246150201.db2.gz XWNHIPGESAVVEX-SECBINFHSA-N 1 0 297.742 1.864 20 5 CDBDRO Cc1c(CC(=O)N2C[C@H](C[NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000423477402 374383081 /nfs/dbraw/zinc/38/30/81/374383081.db2.gz TYWGZPPQNSUGEL-PWSUYJOCSA-N 1 0 291.351 1.641 20 5 CDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000115442504 374407423 /nfs/dbraw/zinc/40/74/23/374407423.db2.gz VKHCVAFODVTERN-SNVBAGLBSA-N 1 0 281.312 1.602 20 5 CDBDRO Cc1ccnc(NCC2CC[NH+](CCO)CC2)c1[N+](=O)[O-] ZINC000115517141 374412446 /nfs/dbraw/zinc/41/24/46/374412446.db2.gz ZKOXBPBLJLFVEM-UHFFFAOYSA-N 1 0 294.355 1.414 20 5 CDBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299147814 374453994 /nfs/dbraw/zinc/45/39/94/374453994.db2.gz RJTSGSZZSPBVLY-MNOVXSKESA-N 1 0 294.355 1.773 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000376894602 374575502 /nfs/dbraw/zinc/57/55/02/374575502.db2.gz IJZZYZNQECJSEG-ZDUSSCGKSA-N 1 0 262.309 1.860 20 5 CDBDRO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000351949833 374697772 /nfs/dbraw/zinc/69/77/72/374697772.db2.gz APIKWQQAZHENCO-PWSUYJOCSA-N 1 0 266.297 1.286 20 5 CDBDRO CC[C@@H](NC[C@H](O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000154340913 374697819 /nfs/dbraw/zinc/69/78/19/374697819.db2.gz VUKCWGFDSVDNPU-UONOGXRCSA-N 1 0 281.356 1.558 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000070174918 374655928 /nfs/dbraw/zinc/65/59/28/374655928.db2.gz UGQFEWQEGZPDIZ-BDAKNGLRSA-N 1 0 295.368 1.868 20 5 CDBDRO CCOc1cc(C[N@H+](CCO)CCCO)ccc1[N+](=O)[O-] ZINC000276900654 374757053 /nfs/dbraw/zinc/75/70/53/374757053.db2.gz LQNLOEKQYQNYHE-UHFFFAOYSA-N 1 0 298.339 1.170 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CO)[C@@H]2CCCO2)c1 ZINC000447907488 374720597 /nfs/dbraw/zinc/72/05/97/374720597.db2.gz RWFNHCJXUSONAN-STQMWFEESA-N 1 0 266.297 1.224 20 5 CDBDRO CC1=C(C)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000280751715 375018499 /nfs/dbraw/zinc/01/84/99/375018499.db2.gz NIXYJJBFPVUICB-UHFFFAOYSA-N 1 0 277.324 1.799 20 5 CDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280810616 375024699 /nfs/dbraw/zinc/02/46/99/375024699.db2.gz LYGCQEGFHKBKFQ-DOMZBBRYSA-N 1 0 289.335 1.601 20 5 CDBDRO C[C@H](O)C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000131266547 375208454 /nfs/dbraw/zinc/20/84/54/375208454.db2.gz BWMNYJHHULYJNV-JTQLQIEISA-N 1 0 254.286 1.286 20 5 CDBDRO CC[C@@H]([NH3+])c1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000603223783 375545413 /nfs/dbraw/zinc/54/54/13/375545413.db2.gz ITIGQRMEIXUIOA-SNVBAGLBSA-N 1 0 279.275 1.784 20 5 CDBDRO CC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000151397910 375670131 /nfs/dbraw/zinc/67/01/31/375670131.db2.gz YCGNBSPZDNRAIJ-UHFFFAOYSA-N 1 0 296.283 1.151 20 5 CDBDRO O=[N+]([O-])c1cccc(OCCN2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357099741 375728972 /nfs/dbraw/zinc/72/89/72/375728972.db2.gz DDDQZKUGNPUHOA-CHWSQXEVSA-N 1 0 291.351 1.515 20 5 CDBDRO O=C(NC[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1F ZINC000133589436 375803806 /nfs/dbraw/zinc/80/38/06/375803806.db2.gz KHJNKDFRFRYRBJ-QMMMGPOBSA-N 1 0 267.260 1.073 20 5 CDBDRO CC1(C)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C1CC1 ZINC000357433087 375908433 /nfs/dbraw/zinc/90/84/33/375908433.db2.gz CPWRDUMRRPUSOH-OLZOCXBDSA-N 1 0 294.355 1.273 20 5 CDBDRO C[NH2+][C@H]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000430621563 247671016 /nfs/dbraw/zinc/67/10/16/247671016.db2.gz DPGJTWOKEXQTEP-NSHDSACASA-N 1 0 292.339 1.135 20 5 CDBDRO CC1(C)CCC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000347496550 376310541 /nfs/dbraw/zinc/31/05/41/376310541.db2.gz YUWWUCJVVPEBTM-UHFFFAOYSA-N 1 0 294.355 1.775 20 5 CDBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000073994232 376789011 /nfs/dbraw/zinc/78/90/11/376789011.db2.gz BXWAIXWIWARZLG-GXTWGEPZSA-N 1 0 289.335 1.904 20 5 CDBDRO COCC[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000172070149 377240137 /nfs/dbraw/zinc/24/01/37/377240137.db2.gz REUVZUMTDYWHEC-ZDUSSCGKSA-N 1 0 268.313 1.472 20 5 CDBDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000443332465 250024145 /nfs/dbraw/zinc/02/41/45/250024145.db2.gz HSYFZBQSPODMIG-UTUOFQBUSA-N 1 0 282.344 1.273 20 5 CDBDRO O=[N+]([O-])c1ccsc1N1CC2(C1)CC[NH2+]CC2 ZINC001580875174 1172556546 /nfs/dbraw/zinc/55/65/46/1172556546.db2.gz CGULJINNSRDNTB-UHFFFAOYSA-N 1 0 253.327 1.846 20 5 CDBDRO CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@@H+]1C ZINC000490296203 253033778 /nfs/dbraw/zinc/03/37/78/253033778.db2.gz DCJYZCMJOKPROA-NSHDSACASA-N 1 0 280.328 1.335 20 5 CDBDRO C[NH+](C)C1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000492300288 253193657 /nfs/dbraw/zinc/19/36/57/253193657.db2.gz QDJPDPMFOSAXPB-FPLPWBNLSA-N 1 0 275.308 1.380 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493087982 253366388 /nfs/dbraw/zinc/36/63/88/253366388.db2.gz BQJUBZMXYHGOJB-TXNVCOODSA-N 1 0 293.298 1.697 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([C@@H]3CCC[NH2+]3)CC2)nc1 ZINC000063201303 285121173 /nfs/dbraw/zinc/12/11/73/285121173.db2.gz ICDWGOCYGMPSPW-ZDUSSCGKSA-N 1 0 276.340 1.958 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493087981 253366481 /nfs/dbraw/zinc/36/64/81/253366481.db2.gz BQJUBZMXYHGOJB-RNZFLTOJSA-N 1 0 293.298 1.697 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH+]3CCCC3)CC2)nc1 ZINC000273612621 285172858 /nfs/dbraw/zinc/17/28/58/285172858.db2.gz MJBBFZIFXBHCDD-GFCCVEGCSA-N 1 0 291.355 1.840 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000094340490 184784110 /nfs/dbraw/zinc/78/41/10/184784110.db2.gz IQHNXCQMPIJUAW-CMPLNLGQSA-N 1 0 277.324 1.713 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000071310176 390484063 /nfs/dbraw/zinc/48/40/63/390484063.db2.gz SFRLOJRTMRLDSF-SNVBAGLBSA-N 1 0 263.297 1.337 20 5 CDBDRO COC(=O)Cc1ccc(NC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000420180857 390575352 /nfs/dbraw/zinc/57/53/52/390575352.db2.gz DJRUHOJKHCFVTL-NSHDSACASA-N 1 0 295.339 1.706 20 5 CDBDRO Cc1cc(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000435247477 390609886 /nfs/dbraw/zinc/60/98/86/390609886.db2.gz WXBZWHBHISKTMQ-ZDUSSCGKSA-N 1 0 289.335 1.870 20 5 CDBDRO COc1cc(C(=O)N(C)C2(C[NH3+])CCC2)ccc1[N+](=O)[O-] ZINC000395396368 390882453 /nfs/dbraw/zinc/88/24/53/390882453.db2.gz RCMIWLVYUKVRJP-UHFFFAOYSA-N 1 0 293.323 1.557 20 5 CDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000285468439 390820488 /nfs/dbraw/zinc/82/04/88/390820488.db2.gz ZZOCPGCGDPOWPG-LBPRGKRZSA-N 1 0 250.298 1.858 20 5 CDBDRO [NH3+][C@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000050244194 390827205 /nfs/dbraw/zinc/82/72/05/390827205.db2.gz WGXFOZNVDCHIOP-VIFPVBQESA-N 1 0 258.281 1.680 20 5 CDBDRO [NH3+]C[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430919319 390942436 /nfs/dbraw/zinc/94/24/36/390942436.db2.gz KLSOEMDLNAEKGF-VIFPVBQESA-N 1 0 276.296 1.517 20 5 CDBDRO COC[C@](C)(O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000517173220 390968596 /nfs/dbraw/zinc/96/85/96/390968596.db2.gz RUKNARDETJHNAQ-TZMCWYRMSA-N 1 0 280.324 1.569 20 5 CDBDRO C[N@H+](CCCO)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265178806 391157476 /nfs/dbraw/zinc/15/74/76/391157476.db2.gz DGNQZWFBFCIYQD-UHFFFAOYSA-N 1 0 293.367 1.878 20 5 CDBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000449651803 391190063 /nfs/dbraw/zinc/19/00/63/391190063.db2.gz AECVEMSVZSHJDF-JTQLQIEISA-N 1 0 285.250 1.322 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000408067741 391232827 /nfs/dbraw/zinc/23/28/27/391232827.db2.gz NXXYQKOQBCFNTJ-DTWKUNHWSA-N 1 0 295.368 1.833 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(N)c3F)C[C@@H]21 ZINC000519864657 391242434 /nfs/dbraw/zinc/24/24/34/391242434.db2.gz BAFIPYOIEKJDKT-KCJUWKMLSA-N 1 0 280.303 1.456 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@H](C)C[NH3+] ZINC000415499206 391467737 /nfs/dbraw/zinc/46/77/37/391467737.db2.gz JVWBPZNEGITGQP-MRVPVSSYSA-N 1 0 282.300 1.414 20 5 CDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)NC1CC[NH2+]CC1 ZINC000415637136 391470322 /nfs/dbraw/zinc/47/03/22/391470322.db2.gz YZMFGDNRLBHUDO-UHFFFAOYSA-N 1 0 282.275 1.607 20 5 CDBDRO CC[NH2+]CCNC(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000415766735 391471514 /nfs/dbraw/zinc/47/15/14/391471514.db2.gz SPXGDTNSIOYGPT-UHFFFAOYSA-N 1 0 280.328 1.888 20 5 CDBDRO C[C@H]1C[N@H+](C)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000408450440 391515924 /nfs/dbraw/zinc/51/59/24/391515924.db2.gz JEZVAZUPWZIRBM-VIFPVBQESA-N 1 0 275.312 1.611 20 5 CDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 ZINC000292261410 391570744 /nfs/dbraw/zinc/57/07/44/391570744.db2.gz PNCZZPOOUKLYHX-ZDUSSCGKSA-N 1 0 279.296 1.356 20 5 CDBDRO Cc1cnc(N2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000266240408 391688285 /nfs/dbraw/zinc/68/82/85/391688285.db2.gz WRGAOMCIZFHWAG-NSHDSACASA-N 1 0 264.329 1.686 20 5 CDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000354004488 391733733 /nfs/dbraw/zinc/73/37/33/391733733.db2.gz BTLFSUYXFHPCPE-LLVKDONJSA-N 1 0 277.324 1.761 20 5 CDBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000109705414 391811844 /nfs/dbraw/zinc/81/18/44/391811844.db2.gz UQLRJHIEONLACB-LLVKDONJSA-N 1 0 265.313 1.698 20 5 CDBDRO CC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000297274075 391858620 /nfs/dbraw/zinc/85/86/20/391858620.db2.gz WZFRYFHLCHICOX-UHFFFAOYSA-N 1 0 265.317 1.225 20 5 CDBDRO CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000416336370 392010069 /nfs/dbraw/zinc/01/00/69/392010069.db2.gz YWOMZUODUOYUAE-UHFFFAOYSA-N 1 0 295.343 1.264 20 5 CDBDRO CC[NH+]1CCN(CCNc2ncc([N+](=O)[O-])s2)CC1 ZINC000195508233 130745022 /nfs/dbraw/zinc/74/50/22/130745022.db2.gz LKVMLHPKNUXYEP-UHFFFAOYSA-N 1 0 285.373 1.101 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000235445781 130949869 /nfs/dbraw/zinc/94/98/69/130949869.db2.gz QBMQVABZYAJVMS-RKDXNWHRSA-N 1 0 281.287 1.604 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000237634450 131049555 /nfs/dbraw/zinc/04/95/55/131049555.db2.gz MYSUNBKJAGFSKH-SSDOTTSWSA-N 1 0 255.249 1.153 20 5 CDBDRO Cc1sc(C(=O)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000237700379 131052938 /nfs/dbraw/zinc/05/29/38/131052938.db2.gz MIDWLHQKANPQNO-MRVPVSSYSA-N 1 0 269.326 1.447 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261716317 131164498 /nfs/dbraw/zinc/16/44/98/131164498.db2.gz PPCKKHAWMJGPKG-NWDGAFQWSA-N 1 0 289.335 1.585 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000261743021 131166639 /nfs/dbraw/zinc/16/66/39/131166639.db2.gz LZVIETKUWASVOX-CMPLNLGQSA-N 1 0 277.324 1.729 20 5 CDBDRO Nc1c(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000262605874 131239382 /nfs/dbraw/zinc/23/93/82/131239382.db2.gz BRDVDOVONJQVKB-SCZZXKLOSA-N 1 0 278.312 1.034 20 5 CDBDRO CO[C@H](C[NH3+])CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000262952342 131275747 /nfs/dbraw/zinc/27/57/47/131275747.db2.gz VOTUIKGUIFXGOT-JQWIXIFHSA-N 1 0 295.339 1.444 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000417847631 392874237 /nfs/dbraw/zinc/87/42/37/392874237.db2.gz KDVUVHWOEVQDQZ-LLVKDONJSA-N 1 0 292.339 1.579 20 5 CDBDRO O=C(N[C@H]1CC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418375339 392880809 /nfs/dbraw/zinc/88/08/09/392880809.db2.gz HLSVFHZFSXHCIQ-LBPRGKRZSA-N 1 0 290.323 1.024 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000268836147 132073929 /nfs/dbraw/zinc/07/39/29/132073929.db2.gz NQGDFGSMBWCORZ-CMPLNLGQSA-N 1 0 277.324 1.785 20 5 CDBDRO C[N@@H+]1CC[C@@H](C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000527183755 392975472 /nfs/dbraw/zinc/97/54/72/392975472.db2.gz UZZRBHRWKDJCHJ-GFCCVEGCSA-N 1 0 277.324 1.205 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CO)CC1 ZINC000430210238 393092683 /nfs/dbraw/zinc/09/26/83/393092683.db2.gz UCASTCWVMAWYBM-UHFFFAOYSA-N 1 0 280.324 1.808 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(C)(C)O ZINC000430206154 393093515 /nfs/dbraw/zinc/09/35/15/393093515.db2.gz KBARMDUGKKYWKC-UHFFFAOYSA-N 1 0 268.313 1.806 20 5 CDBDRO C[C@](C[NH3+])(NCCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000430555542 393101225 /nfs/dbraw/zinc/10/12/25/393101225.db2.gz IVXUHQXHDBFFAC-CQSZACIVSA-N 1 0 279.340 1.691 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000430552221 393101333 /nfs/dbraw/zinc/10/13/33/393101333.db2.gz JLTVTCILEHDIPM-VIFPVBQESA-N 1 0 253.277 1.657 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430957442 393107578 /nfs/dbraw/zinc/10/75/78/393107578.db2.gz SJAMNAAGFXHCKV-LBPRGKRZSA-N 1 0 279.340 1.515 20 5 CDBDRO C[C@H](CO)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449094554 393130060 /nfs/dbraw/zinc/13/00/60/393130060.db2.gz SBZZMHIHOJQSPN-QWRGUYRKSA-N 1 0 252.314 1.744 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCOC1 ZINC000449215898 393132180 /nfs/dbraw/zinc/13/21/80/393132180.db2.gz ZJDOTYIWTMQVCV-RISCZKNCSA-N 1 0 280.324 1.267 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCO[C@@H]1C ZINC000449291608 393133991 /nfs/dbraw/zinc/13/39/91/393133991.db2.gz MTGKXHULOPXZES-JMSVASOKSA-N 1 0 294.351 1.655 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000195308629 393164960 /nfs/dbraw/zinc/16/49/60/393164960.db2.gz JLDJVZANUZFXED-UHFFFAOYSA-N 1 0 295.339 1.675 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCCO)n1 ZINC000494481230 393233203 /nfs/dbraw/zinc/23/32/03/393233203.db2.gz FCDHITKDBJEZHM-NEPJUHHUSA-N 1 0 282.344 1.637 20 5 CDBDRO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[C@@H]1C ZINC000487981020 393378962 /nfs/dbraw/zinc/37/89/62/393378962.db2.gz MRPSUOAQUSEDKH-QWHCGFSZSA-N 1 0 296.371 1.928 20 5 CDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CC(C)(C)O ZINC000275623398 135110854 /nfs/dbraw/zinc/11/08/54/135110854.db2.gz VDPMZCXDYQGZEW-GFCCVEGCSA-N 1 0 293.367 1.876 20 5 CDBDRO Cc1ccc(NC(=O)[C@@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000133729473 139871264 /nfs/dbraw/zinc/87/12/64/139871264.db2.gz HEMWTLFDZWCYDU-DTWKUNHWSA-N 1 0 251.286 1.825 20 5 CDBDRO Cc1nn(C)c(N[C@H]2CCC[NH2+][C@H]2C)c1[N+](=O)[O-] ZINC000229611490 140202434 /nfs/dbraw/zinc/20/24/34/140202434.db2.gz HAUPEAOHLVOXOW-CBAPKCEASA-N 1 0 253.306 1.189 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])s1 ZINC000232237262 140221746 /nfs/dbraw/zinc/22/17/46/140221746.db2.gz BLEIZNLLVUQMSL-QMMMGPOBSA-N 1 0 269.326 1.528 20 5 CDBDRO [NH3+][C@@H]1CC[C@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@@H]12 ZINC000261588947 140358132 /nfs/dbraw/zinc/35/81/32/140358132.db2.gz VYZDIKAJKWCQSH-HBNTYKKESA-N 1 0 267.354 1.825 20 5 CDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261782433 140388212 /nfs/dbraw/zinc/38/82/12/140388212.db2.gz WYXSAGNZZWUISM-KOLCDFICSA-N 1 0 293.298 1.415 20 5 CDBDRO COC[C@@]1(CNc2cc(OC)ccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261785714 140389395 /nfs/dbraw/zinc/38/93/95/140389395.db2.gz XGKZSSBEGWSXGC-AWEZNQCLSA-N 1 0 295.339 1.784 20 5 CDBDRO Cn1c(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000036257874 397923325 /nfs/dbraw/zinc/92/33/25/397923325.db2.gz STKQWDMNHRWWPT-JTQLQIEISA-N 1 0 292.339 1.338 20 5 CDBDRO COc1cc(C[N@@H+]2CC[C@@H](CO)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000488744935 398133496 /nfs/dbraw/zinc/13/34/96/398133496.db2.gz AJKAOAVQKFDZSW-JQWIXIFHSA-N 1 0 280.324 1.806 20 5 CDBDRO Cn1cnc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC000095016017 147106447 /nfs/dbraw/zinc/10/64/47/147106447.db2.gz SLQAIVCRAPTUEB-UHFFFAOYSA-N 1 0 261.285 1.056 20 5 CDBDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000323315045 149263265 /nfs/dbraw/zinc/26/32/65/149263265.db2.gz SDBALAKOYFRCHE-AXTRIDKLSA-N 1 0 252.270 1.005 20 5 CDBDRO C[C@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000336794988 151712040 /nfs/dbraw/zinc/71/20/40/151712040.db2.gz HAFYYICXBMFDIE-ZDUSSCGKSA-N 1 0 250.298 1.845 20 5 CDBDRO C[C@@H]1[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343429979 152171602 /nfs/dbraw/zinc/17/16/02/152171602.db2.gz IAEXELWHMKPKLK-BXUZGUMPSA-N 1 0 291.351 1.736 20 5 CDBDRO COc1ccc(C[N@H+](C)[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000352679390 155358314 /nfs/dbraw/zinc/35/83/14/155358314.db2.gz ZRPWMUOOLUCUKQ-AAEUAGOBSA-N 1 0 280.324 1.949 20 5 CDBDRO COc1ccc(CN2CC[NH2+][C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000346684197 153271741 /nfs/dbraw/zinc/27/17/41/153271741.db2.gz RJIINFYZSLPBDA-WDEREUQCSA-N 1 0 279.340 1.786 20 5 CDBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000348967888 154017187 /nfs/dbraw/zinc/01/71/87/154017187.db2.gz WNRCFZSQLZYNRA-LLVKDONJSA-N 1 0 280.328 1.335 20 5 CDBDRO CCC[N@H+](C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355582108 157129658 /nfs/dbraw/zinc/12/96/58/157129658.db2.gz JXDDJASZYZZGHX-UHFFFAOYSA-N 1 0 296.323 1.988 20 5 CDBDRO NC(=O)c1ccnc(N2CCc3c[nH+]ccc32)c1[N+](=O)[O-] ZINC000357513799 157760751 /nfs/dbraw/zinc/76/07/51/157760751.db2.gz NXINNAABTDCKIB-UHFFFAOYSA-N 1 0 285.263 1.178 20 5 CDBDRO O=C(NCC[N@H+]1CC=CCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000357620621 157779734 /nfs/dbraw/zinc/77/97/34/157779734.db2.gz LFETVHHUQYTXPP-UHFFFAOYSA-N 1 0 293.298 1.726 20 5 CDBDRO C[N@@H+]1CC[C@@H](Cn2cc([N+](=O)[O-])cc(Cl)c2=O)C1 ZINC000361969232 159027476 /nfs/dbraw/zinc/02/74/76/159027476.db2.gz AHHYJBXGSKCRDY-MRVPVSSYSA-N 1 0 271.704 1.362 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000372426182 160119930 /nfs/dbraw/zinc/11/99/30/160119930.db2.gz LHNNHDSWRNFUFF-JTQLQIEISA-N 1 0 293.323 1.475 20 5 CDBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCn1cccn1 ZINC000285321800 196250802 /nfs/dbraw/zinc/25/08/02/196250802.db2.gz NBNIGCINWSJBAQ-UHFFFAOYSA-N 1 0 274.324 1.966 20 5 CDBDRO C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285358713 196259670 /nfs/dbraw/zinc/25/96/70/196259670.db2.gz VNLNWWJZTWPLQC-LXGOIASLSA-N 1 0 297.380 1.739 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000285493654 196304177 /nfs/dbraw/zinc/30/41/77/196304177.db2.gz POQNUGWAECQXIG-SNVBAGLBSA-N 1 0 293.327 1.018 20 5 CDBDRO Cc1c(C[N@@H+](C)C2(CO)CC2)cccc1[N+](=O)[O-] ZINC000285511298 196309182 /nfs/dbraw/zinc/30/91/82/196309182.db2.gz NNKJGBHQPVAREZ-UHFFFAOYSA-N 1 0 250.298 1.860 20 5 CDBDRO CC(C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000037395887 173176126 /nfs/dbraw/zinc/17/61/26/173176126.db2.gz JZEOPOONZVEEFQ-UHFFFAOYSA-N 1 0 251.286 1.921 20 5 CDBDRO C[NH+]1CCN(CCNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000037497015 173236151 /nfs/dbraw/zinc/23/61/51/173236151.db2.gz LOPVAJHLCKPUQE-UHFFFAOYSA-N 1 0 298.774 1.908 20 5 CDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[NH2+]1 ZINC000040676236 174374006 /nfs/dbraw/zinc/37/40/06/174374006.db2.gz GLBCNPGVODQWEJ-ZDUSSCGKSA-N 1 0 277.324 1.396 20 5 CDBDRO O=C(NCC1CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000044503784 175186646 /nfs/dbraw/zinc/18/66/46/175186646.db2.gz XVCUXPURVYHQOP-UHFFFAOYSA-N 1 0 297.742 1.978 20 5 CDBDRO Cc1c(C(=O)N2CCC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000044528692 175193640 /nfs/dbraw/zinc/19/36/40/175193640.db2.gz JLKBEVKJYKILEZ-LLVKDONJSA-N 1 0 277.324 1.714 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000071397193 176150871 /nfs/dbraw/zinc/15/08/71/176150871.db2.gz HMCWZLJJCOKWIQ-JTQLQIEISA-N 1 0 263.297 1.385 20 5 CDBDRO Cc1c(C[N@H+](C)CCN2CCOCC2)cccc1[N+](=O)[O-] ZINC000071900809 176294143 /nfs/dbraw/zinc/29/41/43/176294143.db2.gz VGRMLJNJSVHZRM-UHFFFAOYSA-N 1 0 293.367 1.667 20 5 CDBDRO Nc1ccc(NCC[NH+]2CCSCC2)c([N+](=O)[O-])c1 ZINC000287372021 270318211 /nfs/dbraw/zinc/31/82/11/270318211.db2.gz OEKSHYFNYCQTKN-UHFFFAOYSA-N 1 0 282.369 1.638 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)C2CCC2)c(F)c1 ZINC000316250898 270329037 /nfs/dbraw/zinc/32/90/37/270329037.db2.gz VHPGNWZCYXJYMM-CYBMUJFWSA-N 1 0 268.288 1.985 20 5 CDBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1C[NH3+] ZINC000397419683 270350064 /nfs/dbraw/zinc/35/00/64/270350064.db2.gz YWTOWMSKTRKLHE-KXUCPTDWSA-N 1 0 281.312 1.633 20 5 CDBDRO C[NH2+][C@@H](C)Cc1noc(-c2n[nH]c(C(C)C)c2[N+](=O)[O-])n1 ZINC000349883955 273971384 /nfs/dbraw/zinc/97/13/84/273971384.db2.gz PUERGNZAZPXEIN-ZETCQYMHSA-N 1 0 294.315 1.642 20 5 CDBDRO C[C@@H]1CC[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000429572000 274311622 /nfs/dbraw/zinc/31/16/22/274311622.db2.gz YJKJPVNVICOMRJ-VXGBXAGGSA-N 1 0 279.340 1.877 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000288780744 274631121 /nfs/dbraw/zinc/63/11/21/274631121.db2.gz QAHHQDWDWDQIED-DGCLKSJQSA-N 1 0 291.351 1.941 20 5 CDBDRO CC(C)c1n[nH]c(C(=O)N[C@@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000269486795 276041350 /nfs/dbraw/zinc/04/13/50/276041350.db2.gz XACZJUKQAUISHZ-VIFPVBQESA-N 1 0 297.359 1.511 20 5 CDBDRO C[NH2+]CCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418325700 277024346 /nfs/dbraw/zinc/02/43/46/277024346.db2.gz JWJAICTXLJJWBB-UHFFFAOYSA-N 1 0 292.339 1.488 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3cccc(F)c3[N+](=O)[O-])C[C@H]2C1 ZINC000278654254 277199297 /nfs/dbraw/zinc/19/92/97/277199297.db2.gz DUTOEWPTHYMTKL-AOOOYVTPSA-N 1 0 265.288 1.732 20 5 CDBDRO C[C@@H]([NH3+])C1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000110651858 278305223 /nfs/dbraw/zinc/30/52/23/278305223.db2.gz YMMUVYBKFAUYNU-SECBINFHSA-N 1 0 292.339 1.257 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000063192917 278312508 /nfs/dbraw/zinc/31/25/08/278312508.db2.gz FEPJIHBSDLHYFP-KCJUWKMLSA-N 1 0 266.301 1.265 20 5 CDBDRO Cc1cc(C(=O)NC[C@H](C2CC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000076925365 279227804 /nfs/dbraw/zinc/22/78/04/279227804.db2.gz QTVSBXKTEWMXRP-CQSZACIVSA-N 1 0 291.351 1.973 20 5 CDBDRO COCCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000133736637 279751986 /nfs/dbraw/zinc/75/19/86/279751986.db2.gz GAWOHFRRVFRJQL-UHFFFAOYSA-N 1 0 279.340 1.753 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000214394926 280087300 /nfs/dbraw/zinc/08/73/00/280087300.db2.gz RXCBOIMOWBJJCS-CFHLNLSMSA-N 1 0 289.335 1.676 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000214395758 280087427 /nfs/dbraw/zinc/08/74/27/280087427.db2.gz WHIXRVWWDITGFC-DGMVEKRQSA-N 1 0 289.335 1.676 20 5 CDBDRO O=[N+]([O-])c1ccccc1N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261859941 280375526 /nfs/dbraw/zinc/37/55/26/280375526.db2.gz XSICHIXKQOJXSP-LBPRGKRZSA-N 1 0 276.340 1.079 20 5 CDBDRO C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000248956676 280397650 /nfs/dbraw/zinc/39/76/50/280397650.db2.gz QIYFIGWYJIMCSQ-RISCZKNCSA-N 1 0 280.324 1.676 20 5 CDBDRO Cc1cccc(C(=O)NCC[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000101955649 281193694 /nfs/dbraw/zinc/19/36/94/281193694.db2.gz KGOHZNGFZZDALB-UHFFFAOYSA-N 1 0 279.340 1.973 20 5 CDBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332614986 281226963 /nfs/dbraw/zinc/22/69/63/281226963.db2.gz DXXVZJQMPPSBIM-ZJUUUORDSA-N 1 0 252.318 1.949 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC([NH+](C)C)C1 ZINC000278844367 281256938 /nfs/dbraw/zinc/25/69/38/281256938.db2.gz WCLNWDOIQLCMFV-UHFFFAOYSA-N 1 0 263.297 1.289 20 5 CDBDRO Cc1cnc(N2C[C@@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000216237543 281613249 /nfs/dbraw/zinc/61/32/49/281613249.db2.gz NYJVRUWWENGGEX-VHSXEESVSA-N 1 0 250.302 1.472 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CC(N)=O ZINC000551679786 290012102 /nfs/dbraw/zinc/01/21/02/290012102.db2.gz CANFISBQHBNVEA-UWVGGRQHSA-N 1 0 265.313 1.818 20 5 CDBDRO CC1(C)CC[N@H+](CC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000553026544 290090756 /nfs/dbraw/zinc/09/07/56/290090756.db2.gz RCLMTYYLYOWVAO-UHFFFAOYSA-N 1 0 291.351 1.943 20 5 CDBDRO CCc1nn(C)c(N(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000558023127 290377794 /nfs/dbraw/zinc/37/77/94/290377794.db2.gz UWYRBBBPVNFXNB-UHFFFAOYSA-N 1 0 269.349 1.279 20 5 CDBDRO CC(C)[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570799272 294310176 /nfs/dbraw/zinc/31/01/76/294310176.db2.gz JZZDOSKQJSBDSQ-UHFFFAOYSA-N 1 0 265.313 1.713 20 5 CDBDRO CCC[C@H](O)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000574989259 295084854 /nfs/dbraw/zinc/08/48/54/295084854.db2.gz KRODPEISPYNIAH-NSHDSACASA-N 1 0 295.339 1.674 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN(CCC[NH3+])CC1CCCC1 ZINC000352504712 303018742 /nfs/dbraw/zinc/01/87/42/303018742.db2.gz UAUFUINCJYEMKI-UHFFFAOYSA-N 1 0 295.387 1.669 20 5 CDBDRO O=C1NCC[C@H]1CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000563349248 316260477 /nfs/dbraw/zinc/26/04/77/316260477.db2.gz FSDAVTVXHDIAFE-LBPRGKRZSA-N 1 0 289.335 1.479 20 5 CDBDRO CNc1nc(C(=O)N(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000564049881 316415793 /nfs/dbraw/zinc/41/57/93/316415793.db2.gz HQXSCCPAINVAQH-UHFFFAOYSA-N 1 0 295.343 1.055 20 5 CDBDRO COc1cccc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000566210877 316515790 /nfs/dbraw/zinc/51/57/90/316515790.db2.gz DRJYRSJLVWUHJZ-VHSXEESVSA-N 1 0 293.323 1.461 20 5 CDBDRO COCC[C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000569715473 316835230 /nfs/dbraw/zinc/83/52/30/316835230.db2.gz LAKLACANGJTFQO-YPMHNXCESA-N 1 0 298.339 1.349 20 5 CDBDRO CC(C)(C)[NH2+][C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000576475898 317145871 /nfs/dbraw/zinc/14/58/71/317145871.db2.gz PKRMRIPRKWFVRO-LLVKDONJSA-N 1 0 291.307 1.615 20 5 CDBDRO COC(C)(C)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576862990 317220865 /nfs/dbraw/zinc/22/08/65/317220865.db2.gz IRXLOXUNPPVQRI-GFCCVEGCSA-N 1 0 298.339 1.349 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000577103968 317266480 /nfs/dbraw/zinc/26/64/80/317266480.db2.gz HKECCMRUIWIQAL-UHFFFAOYSA-N 1 0 294.355 1.884 20 5 CDBDRO CC[N@H+](C)CCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185130480 323382885 /nfs/dbraw/zinc/38/28/85/323382885.db2.gz PJEKVZPDGHATNH-JTQLQIEISA-N 1 0 297.330 1.905 20 5 CDBDRO CC[N@H+](C)C[C@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000579021864 324086362 /nfs/dbraw/zinc/08/63/62/324086362.db2.gz IVORNVCJTAWZQA-HNNXBMFYSA-N 1 0 295.383 1.382 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000579100251 324102467 /nfs/dbraw/zinc/10/24/67/324102467.db2.gz CKXRNRLGVNTDJX-UHFFFAOYSA-N 1 0 295.295 1.005 20 5 CDBDRO COc1ccc(C[NH2+]C[C@@H](O)CSC)cc1[N+](=O)[O-] ZINC000579305161 324149430 /nfs/dbraw/zinc/14/94/30/324149430.db2.gz MOPKHVSZKDIPSR-SNVBAGLBSA-N 1 0 286.353 1.417 20 5 CDBDRO CCc1[nH]nc(-c2nc(C[C@H](C)[NH2+]C)no2)c1[N+](=O)[O-] ZINC000580645991 324520848 /nfs/dbraw/zinc/52/08/48/324520848.db2.gz FEKQSOAAPWNWBP-LURJTMIESA-N 1 0 280.288 1.081 20 5 CDBDRO CC(C)[C@@H]1C[C@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000583199228 325125990 /nfs/dbraw/zinc/12/59/90/325125990.db2.gz DOQQFEYRNHKCKH-DRZSPHRISA-N 1 0 282.344 1.034 20 5 CDBDRO CC(C)Oc1nc(N[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000583575364 325203262 /nfs/dbraw/zinc/20/32/62/325203262.db2.gz CGDUXTDLNQFWML-JTQLQIEISA-N 1 0 282.344 1.561 20 5 CDBDRO CN(CCC[NH2+]CCC(C)(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001754370357 1159189912 /nfs/dbraw/zinc/18/99/12/1159189912.db2.gz ABHLVULXBCIRDP-VXGBXAGGSA-N 1 0 285.388 1.526 20 5 CDBDRO CCOC[C@@H]1CCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000354402458 520119142 /nfs/dbraw/zinc/11/91/42/520119142.db2.gz HTUGWOOTHADHBP-WCQYABFASA-N 1 0 282.344 1.586 20 5 CDBDRO CC[NH+](CC)[C@H](C)CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341552776 520859324 /nfs/dbraw/zinc/85/93/24/520859324.db2.gz UBGSXBPNMOAACP-SNVBAGLBSA-N 1 0 294.355 1.836 20 5 CDBDRO CC[N@H+](CCO)CCNCc1csc([N+](=O)[O-])c1 ZINC000184540665 521118700 /nfs/dbraw/zinc/11/87/00/521118700.db2.gz BVJAAOHCLMAIAL-UHFFFAOYSA-N 1 0 273.358 1.060 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC000157932169 521328554 /nfs/dbraw/zinc/32/85/54/521328554.db2.gz AYJBPAUVCMCPJO-BDAKNGLRSA-N 1 0 295.343 1.128 20 5 CDBDRO CCC[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000049480653 521486034 /nfs/dbraw/zinc/48/60/34/521486034.db2.gz VYTLPIXMRBFDSZ-UHFFFAOYSA-N 1 0 251.286 1.875 20 5 CDBDRO C[NH2+]CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000063159237 521976234 /nfs/dbraw/zinc/97/62/34/521976234.db2.gz DPNCYBYYBKFAMN-UHFFFAOYSA-N 1 0 295.314 1.806 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000148772797 522070868 /nfs/dbraw/zinc/07/08/68/522070868.db2.gz GXOAEUAEUHICLU-JTQLQIEISA-N 1 0 265.313 1.109 20 5 CDBDRO CCc1nn(C)c(N2CC[C@H](C)[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000164002563 522667879 /nfs/dbraw/zinc/66/78/79/522667879.db2.gz KXNIAQGGQPDYEH-VHSXEESVSA-N 1 0 281.360 1.312 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CC[NH2+]C1 ZINC000062114889 523391614 /nfs/dbraw/zinc/39/16/14/523391614.db2.gz RPEXPYUPIHAKCE-SNVBAGLBSA-N 1 0 263.297 1.163 20 5 CDBDRO COc1ccc(C[NH2+]CCn2ccnc2)cc1[N+](=O)[O-] ZINC000049077276 524071709 /nfs/dbraw/zinc/07/17/09/524071709.db2.gz XJKFCPNAQIYHJM-UHFFFAOYSA-N 1 0 276.296 1.590 20 5 CDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)[N@H+](C)C1CC1 ZINC000184369800 524714630 /nfs/dbraw/zinc/71/46/30/524714630.db2.gz WJYYUDHNFVCOOI-VIFPVBQESA-N 1 0 292.339 1.390 20 5 CDBDRO O=C(NCC[NH+]1CCCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000049575379 526308003 /nfs/dbraw/zinc/30/80/03/526308003.db2.gz ZZHTYABOVHIBCN-UHFFFAOYSA-N 1 0 295.314 1.950 20 5 CDBDRO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000125253125 527386605 /nfs/dbraw/zinc/38/66/05/527386605.db2.gz GCMFZXXKVSYUAM-YUTCNCBUSA-N 1 0 262.309 1.798 20 5 CDBDRO CC[NH2+]CCNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000418079603 528318025 /nfs/dbraw/zinc/31/80/25/528318025.db2.gz LFLDOPRVCKAARW-UHFFFAOYSA-N 1 0 280.328 1.312 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000262502074 535511650 /nfs/dbraw/zinc/51/16/50/535511650.db2.gz YPVZOFZVFVJUJF-LLVKDONJSA-N 1 0 279.340 1.642 20 5 CDBDRO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H]1CC[NH2+]C1 ZINC000269148455 536068026 /nfs/dbraw/zinc/06/80/26/536068026.db2.gz KRFYCSRNFMRIFH-NSHDSACASA-N 1 0 289.291 1.775 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000417125687 536372185 /nfs/dbraw/zinc/37/21/85/536372185.db2.gz BNGYPRRCCRQHJF-ZYHUDNBSSA-N 1 0 292.339 1.659 20 5 CDBDRO CNC(=O)c1ccc(NC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000212639839 536433983 /nfs/dbraw/zinc/43/39/83/536433983.db2.gz OJGMJGNDJPYRBL-SNVBAGLBSA-N 1 0 292.339 1.366 20 5 CDBDRO COc1cc(C(=O)N[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1C ZINC000422736313 536520537 /nfs/dbraw/zinc/52/05/37/536520537.db2.gz VWQPYLGDCDFXGN-NSHDSACASA-N 1 0 293.323 1.394 20 5 CDBDRO COc1ccc(C(=O)N(C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000237165248 536699034 /nfs/dbraw/zinc/69/90/34/536699034.db2.gz PYMVPBLLKGKDAU-QMMMGPOBSA-N 1 0 267.285 1.023 20 5 CDBDRO COc1cc(C(=O)N2CC[NH2+][C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000422839027 536888630 /nfs/dbraw/zinc/88/86/30/536888630.db2.gz PMLKGSQFIRSDBA-SECBINFHSA-N 1 0 293.323 1.346 20 5 CDBDRO Cc1nn(CN2CC[NH+](C3CCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000733296285 575113313 /nfs/dbraw/zinc/11/33/13/575113313.db2.gz KLNNFZPRAXJCFI-UHFFFAOYSA-N 1 0 293.371 1.536 20 5 CDBDRO C[C@@H]([NH2+]C1CCN(C=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000774135474 575183386 /nfs/dbraw/zinc/18/33/86/575183386.db2.gz CGOHZNNHCKGMPW-LLVKDONJSA-N 1 0 277.324 1.866 20 5 CDBDRO CN(c1nc2ccccn2c1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000741750455 576570915 /nfs/dbraw/zinc/57/09/15/576570915.db2.gz VNPDLIFINYQJLZ-LLVKDONJSA-N 1 0 289.339 1.773 20 5 CDBDRO C[NH+](C)C1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCC1 ZINC000763055509 576705048 /nfs/dbraw/zinc/70/50/48/576705048.db2.gz NRTVBNHNONRWJD-UHFFFAOYSA-N 1 0 291.351 1.738 20 5 CDBDRO Cc1nn(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c(C)c1[N+](=O)[O-] ZINC000749799281 576963474 /nfs/dbraw/zinc/96/34/74/576963474.db2.gz WDLMXTUVJYGMLU-CHWSQXEVSA-N 1 0 294.355 1.724 20 5 CDBDRO Cc1cc(F)cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000753092639 577145084 /nfs/dbraw/zinc/14/50/84/577145084.db2.gz FQAMTVKJPRTROA-JTQLQIEISA-N 1 0 295.314 1.724 20 5 CDBDRO CNC(=O)c1ccc(N2CCC[C@H]2C[NH2+]C)c([N+](=O)[O-])c1 ZINC000212662325 620699120 /nfs/dbraw/zinc/69/91/20/620699120.db2.gz CAWLKWYOVDDBIW-NSHDSACASA-N 1 0 292.339 1.143 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NCCCN1CCOCC1 ZINC000891408023 617385772 /nfs/dbraw/zinc/38/57/72/617385772.db2.gz FGFHCXKRDXARJP-UHFFFAOYSA-N 1 0 296.327 1.133 20 5 CDBDRO CC(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000963792431 614144442 /nfs/dbraw/zinc/14/44/42/614144442.db2.gz YBRNCUPXOLJINV-UBDGZGRMSA-N 1 0 295.383 1.325 20 5 CDBDRO C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])o2)C[NH+]2CCC1CC2 ZINC000892802999 617764156 /nfs/dbraw/zinc/76/41/56/617764156.db2.gz XLOFUMZJRGZOJA-CYBMUJFWSA-N 1 0 279.296 1.402 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000893871296 618114128 /nfs/dbraw/zinc/11/41/28/618114128.db2.gz JENKVCTWVWDNLF-GPAKFWEMSA-N 1 0 289.335 1.818 20 5 CDBDRO Cc1cc(-c2noc(CCC[NH3+])n2)cc([N+](=O)[O-])c1 ZINC000843240472 618154979 /nfs/dbraw/zinc/15/49/79/618154979.db2.gz WVRPBKNIJNURGW-UHFFFAOYSA-N 1 0 262.269 1.845 20 5 CDBDRO Cc1cc(N2CC[C@@H]3C[N@@H+](C)C[C@H]32)ncc1[N+](=O)[O-] ZINC000893940336 618204119 /nfs/dbraw/zinc/20/41/19/618204119.db2.gz MVXLZKUUIRJNAO-ZYHUDNBSSA-N 1 0 262.313 1.439 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccc2nonc2c1[N+](=O)[O-] ZINC000894247487 618752987 /nfs/dbraw/zinc/75/29/87/618752987.db2.gz GEFVAPFOEYIRHI-SECBINFHSA-N 1 0 291.311 1.661 20 5 CDBDRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840675222 618824146 /nfs/dbraw/zinc/82/41/46/618824146.db2.gz VAJFHQLAIJDRLD-IJLUTSLNSA-N 1 0 270.329 1.458 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@H]2C[C@H](OC)C2)c1[N+](=O)[O-] ZINC000895666652 619794718 /nfs/dbraw/zinc/79/47/18/619794718.db2.gz PXDQYEBEMNXRSH-MGCOHNPYSA-N 1 0 282.296 1.576 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@H](O)C2CC2)cs1 ZINC000898205205 621361920 /nfs/dbraw/zinc/36/19/20/621361920.db2.gz BMKDBOHVMQBMNE-JTQLQIEISA-N 1 0 256.327 1.907 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000899865753 622498592 /nfs/dbraw/zinc/49/85/92/622498592.db2.gz UFSWNDLAVCRJFC-UHFFFAOYSA-N 1 0 286.715 1.520 20 5 CDBDRO Cc1nccn1-c1ccc(C[NH2+]CC[N+](=O)[O-])cc1F ZINC000899875988 622499918 /nfs/dbraw/zinc/49/99/18/622499918.db2.gz MBTPISNMPOPQOW-UHFFFAOYSA-N 1 0 278.287 1.686 20 5 CDBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNCC[N+](=O)[O-])C1 ZINC000905062208 626611519 /nfs/dbraw/zinc/61/15/19/626611519.db2.gz LFLYXCRCRMLXKU-TXEJJXNPSA-N 1 0 257.378 1.609 20 5 CDBDRO COc1ccc(CC[C@@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000905064957 626612370 /nfs/dbraw/zinc/61/23/70/626612370.db2.gz GKFCANZBECGOPX-LLVKDONJSA-N 1 0 252.314 1.883 20 5 CDBDRO COc1ccc(OC)c(CCC[NH2+]CC[N+](=O)[O-])c1 ZINC000905191613 626669504 /nfs/dbraw/zinc/66/95/04/626669504.db2.gz UJDMVWSPAGFDGF-UHFFFAOYSA-N 1 0 268.313 1.503 20 5 CDBDRO O=[N+]([O-])CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000905161386 626672563 /nfs/dbraw/zinc/67/25/63/626672563.db2.gz RXXWBMSOEAHYDF-UHFFFAOYSA-N 1 0 259.649 1.615 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)c1c(F)cccc1Cl ZINC000905357575 626768367 /nfs/dbraw/zinc/76/83/67/626768367.db2.gz AXKHMCYBTBRGKN-VIFPVBQESA-N 1 0 262.668 1.379 20 5 CDBDRO C[C@@H](CC[NH2+]CC[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000905385012 626780425 /nfs/dbraw/zinc/78/04/25/626780425.db2.gz JLGNYJWFDBYJAL-VIFPVBQESA-N 1 0 261.322 1.156 20 5 CDBDRO [NH3+][C@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000906507787 627294681 /nfs/dbraw/zinc/29/46/81/627294681.db2.gz CDNDNYMOAOXGRI-KYZUINATSA-N 1 0 255.705 1.828 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)CO)c([N+](=O)[O-])c1 ZINC001170300304 1162328530 /nfs/dbraw/zinc/32/85/30/1162328530.db2.gz ZAJMCYROXHWHNA-NXEZZACHSA-N 1 0 268.313 1.505 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)CO)c([N+](=O)[O-])c1 ZINC001170300310 1162328902 /nfs/dbraw/zinc/32/89/02/1162328902.db2.gz ZAJMCYROXHWHNA-ZJUUUORDSA-N 1 0 268.313 1.505 20 5 CDBDRO COc1nc(N2CCC[C@H]([NH3+])[C@@H]2C)ccc1[N+](=O)[O-] ZINC001157731761 1162359533 /nfs/dbraw/zinc/35/95/33/1162359533.db2.gz FWSQKRXKZJGCEM-IUCAKERBSA-N 1 0 266.301 1.314 20 5 CDBDRO Cc1nn(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c(C)c1[N+](=O)[O-] ZINC000793744459 1162442197 /nfs/dbraw/zinc/44/21/97/1162442197.db2.gz LTJHWQZKHRWCGC-CQSZACIVSA-N 1 0 293.371 1.393 20 5 CDBDRO COC[C@@](C)([NH3+])CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804458544 1162477324 /nfs/dbraw/zinc/47/73/24/1162477324.db2.gz MDUDOLBLHBJGOC-NSHDSACASA-N 1 0 284.272 1.279 20 5 CDBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc(N)cc1[N+](=O)[O-] ZINC000804460951 1162478089 /nfs/dbraw/zinc/47/80/89/1162478089.db2.gz BVAXNQRIGBPVNI-NSHDSACASA-N 1 0 278.356 1.955 20 5 CDBDRO [NH3+][C@@H]1CCc2nn(-c3ncc(F)cc3[N+](=O)[O-])cc2C1 ZINC001157979685 1162638265 /nfs/dbraw/zinc/63/82/65/1162638265.db2.gz HJDIARKYHPMZQS-SECBINFHSA-N 1 0 277.259 1.131 20 5 CDBDRO CCn1ccnc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809736212 1163079302 /nfs/dbraw/zinc/07/93/02/1163079302.db2.gz KESQXOATLQEMOI-UHFFFAOYSA-N 1 0 289.339 1.777 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1NC[C@H]1COCCO1)C[NH2+]C2 ZINC001168268783 1160609554 /nfs/dbraw/zinc/60/95/54/1160609554.db2.gz VXEQZOMFBCNUCH-NSHDSACASA-N 1 0 279.296 1.025 20 5 CDBDRO COc1cc(-c2nc(CC[NH3+])no2)ccc1[N+](=O)[O-] ZINC000164978830 1160973589 /nfs/dbraw/zinc/97/35/89/1160973589.db2.gz SJRYQGYDZQNBGU-UHFFFAOYSA-N 1 0 264.241 1.155 20 5 CDBDRO O=C1Nc2ccccc2C[C@@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967066 1161995997 /nfs/dbraw/zinc/99/59/97/1161995997.db2.gz NAAPHPUNNLIXHM-JKOKRWQUSA-N 1 0 289.335 1.585 20 5 CDBDRO CC(C)[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)NC(C)(C)C ZINC001168999374 1161996834 /nfs/dbraw/zinc/99/68/34/1161996834.db2.gz SLKKUYUBFMESPF-AGIUHOORSA-N 1 0 299.415 1.961 20 5 CDBDRO C[C@H]([NH2+]CCN1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788500345 1162056433 /nfs/dbraw/zinc/05/64/33/1162056433.db2.gz ASNDRVUTEQJRRU-NSHDSACASA-N 1 0 278.356 1.923 20 5 CDBDRO O=[N+]([O-])c1cc(CO)c(N[C@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000865465835 1164650760 /nfs/dbraw/zinc/65/07/60/1164650760.db2.gz KYIKOWFKAYJERB-JTQLQIEISA-N 1 0 295.314 1.875 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CNC(=O)C1 ZINC000866373704 1164773924 /nfs/dbraw/zinc/77/39/24/1164773924.db2.gz QGFVJKZMKHQZEX-VHSXEESVSA-N 1 0 295.314 1.391 20 5 CDBDRO Cc1ccc(CNC(=O)C[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000870961924 1165241499 /nfs/dbraw/zinc/24/14/99/1165241499.db2.gz JOCHMUTWUNRSGC-LBPRGKRZSA-N 1 0 277.324 1.662 20 5 CDBDRO Cc1c(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000873129478 1165514522 /nfs/dbraw/zinc/51/45/22/1165514522.db2.gz NOYQAZCDRKCNPL-CMPLNLGQSA-N 1 0 277.324 1.647 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)CC[NH3+] ZINC000876919277 1165940493 /nfs/dbraw/zinc/94/04/93/1165940493.db2.gz RZLQTWXMUZQQRK-UHFFFAOYSA-N 1 0 251.286 1.242 20 5 CDBDRO [NH3+]CC12CCC(CC1)N2C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000877192181 1165992795 /nfs/dbraw/zinc/99/27/95/1165992795.db2.gz GYJWFTVQTKKEPT-UHFFFAOYSA-N 1 0 275.308 1.691 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877394375 1166030156 /nfs/dbraw/zinc/03/01/56/1166030156.db2.gz VMCRTNQORVZRTO-ZFWWWQNUSA-N 1 0 289.335 1.918 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CCC(N)=O ZINC000877520538 1166052071 /nfs/dbraw/zinc/05/20/71/1166052071.db2.gz AJMXSZPLPHCYNB-UHFFFAOYSA-N 1 0 265.313 1.519 20 5 CDBDRO O=C(COc1cc(Cl)ccc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000051609510 1166731233 /nfs/dbraw/zinc/73/12/33/1166731233.db2.gz AZUDARBLMNKZNU-UHFFFAOYSA-N 1 0 299.714 1.059 20 5 CDBDRO O=[N+]([O-])c1ccc(CCO[C@H]2CCC[NH2+]C2)cc1 ZINC000051787420 1166744701 /nfs/dbraw/zinc/74/47/01/1166744701.db2.gz PACGBTNOGWEHFF-ZDUSSCGKSA-N 1 0 250.298 1.906 20 5 CDBDRO C[C@@H](CNC(=O)OC1C[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001576029622 1171316374 /nfs/dbraw/zinc/31/63/74/1171316374.db2.gz OVJBFBTVXGOKSM-VIFPVBQESA-N 1 0 279.296 1.396 20 5 CDBDRO O=[N+]([O-])c1c(N2CC3(C2)CC[NH2+]CC3)nc2sccn21 ZINC001580874795 1172556771 /nfs/dbraw/zinc/55/67/71/1172556771.db2.gz JDGKYQJIJVDRNL-UHFFFAOYSA-N 1 0 293.352 1.494 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000220561625 1177912528 /nfs/dbraw/zinc/91/25/28/1177912528.db2.gz UESOCEIMDXOUNX-WPRPVWTQSA-N 1 0 250.302 1.472 20 5 CDBDRO CO[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000234862196 1178228519 /nfs/dbraw/zinc/22/85/19/1178228519.db2.gz AODSRHXPMMZDHJ-MRVWCRGKSA-N 1 0 280.324 1.785 20 5 CDBDRO [NH3+][C@@H]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000312576752 1186700783 /nfs/dbraw/zinc/70/07/83/1186700783.db2.gz ABAGUHAOYNAFQB-VHSXEESVSA-N 1 0 278.312 1.844 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)cc1NC[C@@H]1COCC[NH2+]1 ZINC001159042507 1164010821 /nfs/dbraw/zinc/01/08/21/1164010821.db2.gz GXIBFXOWCZBTMG-SSDOTTSWSA-N 1 0 272.692 1.044 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CNc1cccnc1[N+](=O)[O-] ZINC000228387347 1164412203 /nfs/dbraw/zinc/41/22/03/1164412203.db2.gz PJAPPELMRQZUOA-JTQLQIEISA-N 1 0 250.302 1.886 20 5 CDBDRO CC(C)NC(=O)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866218561 1164753469 /nfs/dbraw/zinc/75/34/69/1164753469.db2.gz RRADHEGDRMQDLL-SNVBAGLBSA-N 1 0 297.330 1.779 20 5 CDBDRO C[C@@]([NH3+])(C(=O)NCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000867944603 812868086 /nfs/dbraw/zinc/86/80/86/812868086.db2.gz YDQOYRVIWMGOAG-NSHDSACASA-N 1 0 273.239 1.150 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@@H](C)[NH3+])CC2 ZINC000843495551 805074407 /nfs/dbraw/zinc/07/44/07/805074407.db2.gz URSJNJVMLISSCS-SECBINFHSA-N 1 0 263.297 1.530 20 5 CDBDRO C[C@@H](O)CC[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279845 805334515 /nfs/dbraw/zinc/33/45/15/805334515.db2.gz YIGKCOGPZFAXKK-ZWNOBZJWSA-N 1 0 268.313 1.331 20 5 CDBDRO CCN(c1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CC[NH2+]C1 ZINC000094772163 811069658 /nfs/dbraw/zinc/06/96/58/811069658.db2.gz BZOQPJZAGVPXGX-SNVBAGLBSA-N 1 0 275.312 1.659 20 5 CDBDRO CN(Cc1cccnc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000886005684 811340153 /nfs/dbraw/zinc/34/01/53/811340153.db2.gz HXJBABWGMKPVPL-CYBMUJFWSA-N 1 0 276.340 1.658 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000782632863 811344165 /nfs/dbraw/zinc/34/41/65/811344165.db2.gz LXZILBGCRXRJAZ-SMDDNHRTSA-N 1 0 278.308 1.288 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](O)[C@@H](O)CC2)cc1[N+](=O)[O-] ZINC000886257983 811386630 /nfs/dbraw/zinc/38/66/30/811386630.db2.gz QYSGXBBQJVHZSY-XMQYKBBCSA-N 1 0 294.351 1.657 20 5 CDBDRO O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022064099 811711274 /nfs/dbraw/zinc/71/12/74/811711274.db2.gz WIBFAZQXKJAESY-XJFOESAGSA-N 1 0 295.383 1.469 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886832179 811804764 /nfs/dbraw/zinc/80/47/64/811804764.db2.gz CHHUNUSSPMMPOH-NXEZZACHSA-N 1 0 250.302 1.159 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000873036613 811826335 /nfs/dbraw/zinc/82/63/35/811826335.db2.gz VEAVPBFIZSMAHC-LLVKDONJSA-N 1 0 277.324 1.532 20 5 CDBDRO C[N@H+](CCO)CCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000884824307 811871230 /nfs/dbraw/zinc/87/12/30/811871230.db2.gz VMEURVXTCAKSNV-UHFFFAOYSA-N 1 0 273.720 1.584 20 5 CDBDRO CC[C@@H](C)[NH+]1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886236346 811906011 /nfs/dbraw/zinc/90/60/11/811906011.db2.gz FHLMRTFISFEJMS-GFCCVEGCSA-N 1 0 278.356 1.906 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN(C1CC1)C1CC[NH2+]CC1 ZINC000886827980 811917606 /nfs/dbraw/zinc/91/76/06/811917606.db2.gz VGAFBDYQHYKPQN-UHFFFAOYSA-N 1 0 276.340 1.706 20 5 CDBDRO CCN1C[C@@H]([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1=O ZINC000873131879 812037737 /nfs/dbraw/zinc/03/77/37/812037737.db2.gz YJOOBQIREOLOIJ-LBPRGKRZSA-N 1 0 291.351 1.922 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCN(C3CC3)C2)c1 ZINC000818976339 812294875 /nfs/dbraw/zinc/29/48/75/812294875.db2.gz AIUQHGZASQYHOC-WFASDCNBSA-N 1 0 291.351 1.455 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000054373899 812532752 /nfs/dbraw/zinc/53/27/52/812532752.db2.gz GEPFBCBBJVRJFA-SECBINFHSA-N 1 0 253.277 1.528 20 5 CDBDRO COC(=O)C[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000878412892 812616411 /nfs/dbraw/zinc/61/64/11/812616411.db2.gz AYZATCPVNWDEOC-LLVKDONJSA-N 1 0 296.327 1.031 20 5 CDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000931039340 812673535 /nfs/dbraw/zinc/67/35/35/812673535.db2.gz QZRQXFIRCKXBHF-JQWIXIFHSA-N 1 0 264.329 1.514 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCN1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000840092388 812691784 /nfs/dbraw/zinc/69/17/84/812691784.db2.gz VGXZTGVJRPHJRN-LLVKDONJSA-N 1 0 267.333 1.083 20 5 CDBDRO CC(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001045437183 812816623 /nfs/dbraw/zinc/81/66/23/812816623.db2.gz HOGHZDGGRQFYGX-VXGBXAGGSA-N 1 0 283.372 1.278 20 5 CDBDRO [NH3+][C@@H](CC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000123888052 812830250 /nfs/dbraw/zinc/83/02/50/812830250.db2.gz KXSJEAUSFCJWGZ-ZDUSSCGKSA-N 1 0 277.324 1.381 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702055883 812837998 /nfs/dbraw/zinc/83/79/98/812837998.db2.gz OBHGEORMVKMHQP-UHFFFAOYSA-N 1 0 271.704 1.669 20 5 CDBDRO O=[N+]([O-])c1c(NC[C@H]2CSCC[NH2+]2)nc2ccccn21 ZINC000882728874 812838969 /nfs/dbraw/zinc/83/89/69/812838969.db2.gz KXAPYDRNFNIXQP-VIFPVBQESA-N 1 0 293.352 1.359 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886841512 812873683 /nfs/dbraw/zinc/87/36/83/812873683.db2.gz NJGVHCUKKUQJGC-KOLCDFICSA-N 1 0 250.302 1.301 20 5 CDBDRO CO[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000886232108 812997831 /nfs/dbraw/zinc/99/78/31/812997831.db2.gz PVVJQJSEAUTHNM-JQWIXIFHSA-N 1 0 265.313 1.847 20 5 CDBDRO CC1([NH3+])CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000923345654 813098511 /nfs/dbraw/zinc/09/85/11/813098511.db2.gz KVUANURCFVTBBY-ZDUSSCGKSA-N 1 0 279.340 1.441 20 5 CDBDRO C[N@@H+]1C[C@H]2CCN(Cc3cccnc3[N+](=O)[O-])[C@H]2C1 ZINC000886216174 813338113 /nfs/dbraw/zinc/33/81/13/813338113.db2.gz YOBIZMFKPFXBOL-PWSUYJOCSA-N 1 0 262.313 1.126 20 5 CDBDRO [NH3+][C@]12CCC[C@@H]1CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000923398002 813352977 /nfs/dbraw/zinc/35/29/77/813352977.db2.gz IDYTZHNIZOEWNZ-YUELXQCFSA-N 1 0 291.351 1.441 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701068475 813370281 /nfs/dbraw/zinc/37/02/81/813370281.db2.gz WJVHEIJZPAUQLG-ZETCQYMHSA-N 1 0 271.704 1.715 20 5 CDBDRO COc1cccc(C(=O)N2CC[C@@](C)([NH3+])C2)c1[N+](=O)[O-] ZINC000868080759 813398884 /nfs/dbraw/zinc/39/88/84/813398884.db2.gz YUHXZYMAZJNDTA-CYBMUJFWSA-N 1 0 279.296 1.167 20 5 CDBDRO CCNC(=O)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439755 813591738 /nfs/dbraw/zinc/59/17/38/813591738.db2.gz CMNLPJWJYKJGSY-UHFFFAOYSA-N 1 0 271.704 1.474 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000843356681 813614925 /nfs/dbraw/zinc/61/49/25/813614925.db2.gz VOIIPMHUKWYIQR-ZDUSSCGKSA-N 1 0 290.367 1.326 20 5 CDBDRO CC(C)NC(=[NH2+])NCCOc1ccc([N+](=O)[O-])cc1 ZINC000849007499 813661317 /nfs/dbraw/zinc/66/13/17/813661317.db2.gz SYEKPFILFVCFMO-UHFFFAOYSA-N 1 0 266.301 1.496 20 5 CDBDRO O=[N+]([O-])c1ccc(Cc2noc(C[C@@H]3CC[NH2+]C3)n2)nc1 ZINC000822864312 813802341 /nfs/dbraw/zinc/80/23/41/813802341.db2.gz YFRFGSFXWPBSLO-VIFPVBQESA-N 1 0 289.295 1.116 20 5 CDBDRO COC[C@]1(c2nc(-c3ccc([N+](=O)[O-])o3)no2)CC[NH2+]C1 ZINC000823270619 813817061 /nfs/dbraw/zinc/81/70/61/813817061.db2.gz UFNHCXRVIHLQKI-LBPRGKRZSA-N 1 0 294.267 1.115 20 5 CDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887939308 813838857 /nfs/dbraw/zinc/83/88/57/813838857.db2.gz YWXNZBYPZCSHIN-DOMZBBRYSA-N 1 0 289.335 1.619 20 5 CDBDRO [NH3+]CCCCCCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000843042126 813868806 /nfs/dbraw/zinc/86/88/06/813868806.db2.gz NJGLAOGRZHUIET-UHFFFAOYSA-N 1 0 281.316 1.052 20 5 CDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020138987 813873883 /nfs/dbraw/zinc/87/38/83/813873883.db2.gz LGRRIQLCPDJOFX-AAVRWANBSA-N 1 0 289.335 1.089 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H]2CCO)cc1 ZINC000778273302 814003018 /nfs/dbraw/zinc/00/30/18/814003018.db2.gz YMFYHYUZWIBWQR-JSGCOSHPSA-N 1 0 280.324 1.475 20 5 CDBDRO Cc1cc(N[C@@H]2CCC[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000092027816 814004044 /nfs/dbraw/zinc/00/40/44/814004044.db2.gz XHDCNGMPMFPEOO-VHSXEESVSA-N 1 0 250.302 1.838 20 5 CDBDRO CC(C)C[NH+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000822236530 814020956 /nfs/dbraw/zinc/02/09/56/814020956.db2.gz DDTMQIYSZZXPBT-UHFFFAOYSA-N 1 0 285.388 1.622 20 5 CDBDRO C[NH+](C)CCCOC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000791751983 814181965 /nfs/dbraw/zinc/18/19/65/814181965.db2.gz BKZWZVKGFLYACX-UHFFFAOYSA-N 1 0 285.275 1.425 20 5 CDBDRO [NH3+]CCc1cn(Cc2cc(Cl)ccc2[N+](=O)[O-])nn1 ZINC000158204474 814327225 /nfs/dbraw/zinc/32/72/25/814327225.db2.gz YDRNIIXADJDFQP-UHFFFAOYSA-N 1 0 281.703 1.389 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)[NH+](C)C ZINC000824046425 814333530 /nfs/dbraw/zinc/33/35/30/814333530.db2.gz NFSNPCUBNZSBSS-JTQLQIEISA-N 1 0 279.340 1.892 20 5 CDBDRO CC(=O)N1CCCCC[C@H]1C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929611099 814356407 /nfs/dbraw/zinc/35/64/07/814356407.db2.gz DSBRHLASXMURLG-HNNXBMFYSA-N 1 0 297.399 1.766 20 5 CDBDRO CC[NH+](CC)CCCOC(=O)c1c([N+](=O)[O-])cnn1C ZINC000800191677 814357367 /nfs/dbraw/zinc/35/73/67/814357367.db2.gz BQGHHZVWFWGNDL-UHFFFAOYSA-N 1 0 284.316 1.217 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000700609231 814501821 /nfs/dbraw/zinc/50/18/21/814501821.db2.gz VVZRLJWGGIBOCT-MRVPVSSYSA-N 1 0 269.688 1.421 20 5 CDBDRO CC1CC[NH+](CCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839535816 814533362 /nfs/dbraw/zinc/53/33/62/814533362.db2.gz IIAAITFREITFIX-CHWSQXEVSA-N 1 0 283.372 1.280 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1cc(F)c([N+](=O)[O-])cc1CO ZINC000865883851 814629360 /nfs/dbraw/zinc/62/93/60/814629360.db2.gz NORCEUCMOPFSNO-NSHDSACASA-N 1 0 297.330 1.757 20 5 CDBDRO CC(C)[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000856485194 814662008 /nfs/dbraw/zinc/66/20/08/814662008.db2.gz MFNGMBPBGDOEKX-LBPRGKRZSA-N 1 0 295.314 1.804 20 5 CDBDRO Cc1noc(CONC(=[NH2+])COC(C)(C)C)c1[N+](=O)[O-] ZINC000853688011 816760130 /nfs/dbraw/zinc/76/01/30/816760130.db2.gz BYBITXCRMUOMMI-UHFFFAOYSA-N 1 0 286.288 1.705 20 5 CDBDRO C[C@H](NC(=O)[C@H]([NH3+])CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000312443677 816826700 /nfs/dbraw/zinc/82/67/00/816826700.db2.gz WCJSFNZHEXTVIQ-TVQRCGJNSA-N 1 0 277.324 1.899 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000156601692 816883675 /nfs/dbraw/zinc/88/36/75/816883675.db2.gz OVDQYGUGXKKNBH-GFCCVEGCSA-N 1 0 278.312 1.811 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877763608 817155239 /nfs/dbraw/zinc/15/52/39/817155239.db2.gz DIGLVVXOOSVJLQ-BETUJISGSA-N 1 0 294.351 1.244 20 5 CDBDRO Cn1ncc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000311469359 817212572 /nfs/dbraw/zinc/21/25/72/817212572.db2.gz OBQRESGCASREKJ-UHFFFAOYSA-N 1 0 261.285 1.056 20 5 CDBDRO CC[C@@H](CCO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843079628 817260264 /nfs/dbraw/zinc/26/02/64/817260264.db2.gz ZYUWXCGICIPUHS-WCQYABFASA-N 1 0 268.313 1.379 20 5 CDBDRO C[C@H]([NH2+]C/C=C\CO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850506826 817262662 /nfs/dbraw/zinc/26/26/62/817262662.db2.gz CGQGHSMSZGSHGI-XADBCAIWSA-N 1 0 251.286 1.376 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834809347 817303002 /nfs/dbraw/zinc/30/30/02/817303002.db2.gz NGVQALHAMMLEIE-MRVPVSSYSA-N 1 0 266.301 1.034 20 5 CDBDRO Cn1c(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000089106375 817428228 /nfs/dbraw/zinc/42/82/28/817428228.db2.gz SQSXEUDYEDLDFO-VHSXEESVSA-N 1 0 280.328 1.181 20 5 CDBDRO C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000925153199 817506175 /nfs/dbraw/zinc/50/61/75/817506175.db2.gz KOJAHHYMRSVULR-AAEUAGOBSA-N 1 0 291.351 1.784 20 5 CDBDRO Cc1nc(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000889424139 817640873 /nfs/dbraw/zinc/64/08/73/817640873.db2.gz OTXOFONRLWXRDL-ONGXEEELSA-N 1 0 292.339 1.967 20 5 CDBDRO C[C@H]([NH2+][C@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815598111 817655322 /nfs/dbraw/zinc/65/53/22/817655322.db2.gz MXHDVOOJZXKYCW-WPRPVWTQSA-N 1 0 251.286 1.617 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[C@@]34CC[NH2+]C4)n2)o1 ZINC000823269473 817740204 /nfs/dbraw/zinc/74/02/04/817740204.db2.gz HFFZJMWSCBPWCN-JVXZTZIISA-N 1 0 276.252 1.705 20 5 CDBDRO Cn1nccc1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000230753492 817793156 /nfs/dbraw/zinc/79/31/56/817793156.db2.gz YTAUNRBDAAPMTB-UHFFFAOYSA-N 1 0 274.324 1.703 20 5 CDBDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000821323061 817821452 /nfs/dbraw/zinc/82/14/52/817821452.db2.gz PXDFVDJQAXOSDZ-OKILXGFUSA-N 1 0 289.335 1.505 20 5 CDBDRO CCC[C@@H]1C[NH2+]CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923331668 817850190 /nfs/dbraw/zinc/85/01/90/817850190.db2.gz NMVFATKMOAHEGW-CABCVRRESA-N 1 0 293.367 1.702 20 5 CDBDRO CC[C@H](CCO)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158664608 817907908 /nfs/dbraw/zinc/90/79/08/817907908.db2.gz NJLQZZVTZBVQOR-BXUZGUMPSA-N 1 0 282.340 1.626 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@@H]([NH3+])C2)c1F ZINC001173180300 912281231 /nfs/dbraw/zinc/28/12/31/912281231.db2.gz UUOXFALZJTZZOR-VHSXEESVSA-N 1 0 297.330 1.707 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2COC2)c1F ZINC001173175974 912282645 /nfs/dbraw/zinc/28/26/45/912282645.db2.gz WNLPFTHJJCARDE-QMMMGPOBSA-N 1 0 284.287 1.662 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C(N)=O ZINC001173225056 912316569 /nfs/dbraw/zinc/31/65/69/912316569.db2.gz BDJNBCKMCZHNRM-SMDDNHRTSA-N 1 0 291.351 1.866 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCC(=O)NC1 ZINC001173234307 912327266 /nfs/dbraw/zinc/32/72/66/912327266.db2.gz OEEJOSWYDDUFAC-DGCLKSJQSA-N 1 0 291.351 1.784 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](C[NH3+])C1 ZINC001173214158 912336426 /nfs/dbraw/zinc/33/64/26/912336426.db2.gz MLCOTAHEJSWUQQ-BXUZGUMPSA-N 1 0 279.340 1.185 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](C)CO ZINC001173214631 912336930 /nfs/dbraw/zinc/33/69/30/912336930.db2.gz CZSGCWMMAGOOAV-WDEREUQCSA-N 1 0 252.314 1.744 20 5 CDBDRO C/C=C(/C)C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001125438139 895488298 /nfs/dbraw/zinc/48/82/98/895488298.db2.gz QENKFKYODUUXJN-JYOAFUTRSA-N 1 0 277.324 1.767 20 5 CDBDRO CC(C)(C)c1cnc(-n2ccc(CC[NH3+])n2)c([N+](=O)[O-])c1 ZINC001167727999 899462443 /nfs/dbraw/zinc/46/24/43/899462443.db2.gz HTEXOQDSVQMORM-UHFFFAOYSA-N 1 0 289.339 1.974 20 5 CDBDRO COC(=O)COc1c(C)cc(NC=[NH2+])cc1[N+](=O)[O-] ZINC001167871973 901533557 /nfs/dbraw/zinc/53/35/57/901533557.db2.gz YXCYERAPYOQTOG-UHFFFAOYSA-N 1 0 267.241 1.474 20 5 CDBDRO Cc1ccnc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c1[N+](=O)[O-] ZINC000711693983 904020353 /nfs/dbraw/zinc/02/03/53/904020353.db2.gz XDAOCPABJCSLHC-GXFFZTMASA-N 1 0 262.313 1.995 20 5 CDBDRO CCOc1cnc(N[C@H]2C[NH2+]CC[C@H]2F)c([N+](=O)[O-])c1 ZINC001168227323 907943706 /nfs/dbraw/zinc/94/37/06/907943706.db2.gz OHMODJVIOGBVBM-ZJUUUORDSA-N 1 0 284.291 1.500 20 5 CDBDRO [NH3+]Cc1cnn(-c2ccc3cc([N+](=O)[O-])ccc3n2)c1 ZINC001168253897 907996767 /nfs/dbraw/zinc/99/67/67/907996767.db2.gz FLGCCZUETSUOMP-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO CCCNC(=O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000036781118 909758198 /nfs/dbraw/zinc/75/81/98/909758198.db2.gz MRSMHHZNSQYZPS-UHFFFAOYSA-N 1 0 265.313 1.519 20 5 CDBDRO C[N@H+](C[C@H](O)CO)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904910 912037722 /nfs/dbraw/zinc/03/77/22/912037722.db2.gz PMESAVXSWIMOMB-ZFWWWQNUSA-N 1 0 294.351 1.127 20 5 CDBDRO Nc1nc(NC[C@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000094261863 915727923 /nfs/dbraw/zinc/72/79/23/915727923.db2.gz FFOUUIKZMPDEBU-MRVPVSSYSA-N 1 0 251.290 1.126 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H](F)C2)c1 ZINC000830480763 936461351 /nfs/dbraw/zinc/46/13/51/936461351.db2.gz SYDZTBQKNDDWEV-CMPLNLGQSA-N 1 0 254.261 1.672 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000704329986 922869714 /nfs/dbraw/zinc/86/97/14/922869714.db2.gz IFCVXYJIHFWKFR-QMMMGPOBSA-N 1 0 283.715 1.669 20 5 CDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000843485709 937155301 /nfs/dbraw/zinc/15/53/01/937155301.db2.gz DGLKLWVAVGIRMZ-HTQZYQBOSA-N 1 0 296.283 1.277 20 5 CDBDRO CNC(=O)[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001168986178 927572441 /nfs/dbraw/zinc/57/24/41/927572441.db2.gz WWRKZIUSQOWPCL-HBNTYKKESA-N 1 0 271.361 1.182 20 5 CDBDRO CC(C)(C)OC(=O)N1CC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168960586 927579722 /nfs/dbraw/zinc/57/97/22/927579722.db2.gz FOXFQPYCSXJBCS-MNOVXSKESA-N 1 0 299.371 1.641 20 5 CDBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H](O)c1cccc(O)c1 ZINC001168986227 927580089 /nfs/dbraw/zinc/58/00/89/927580089.db2.gz XEOSEWNTEQCYBE-UHXUCMFUSA-N 1 0 294.351 1.849 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccccn2)C1 ZINC001168986257 927580469 /nfs/dbraw/zinc/58/04/69/927580469.db2.gz XJYPTGMQBCMBIX-MDZLAQPJSA-N 1 0 265.313 1.150 20 5 CDBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1nnc2ccccn21 ZINC001168960711 927582851 /nfs/dbraw/zinc/58/28/51/927582851.db2.gz GJAJNTZBSODOKK-TUAOUCFPSA-N 1 0 289.339 1.825 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2nccnc2Cl)C1 ZINC001168963645 927586349 /nfs/dbraw/zinc/58/63/49/927586349.db2.gz PIIGNAOJLRWUIX-RKDXNWHRSA-N 1 0 270.720 1.665 20 5 CDBDRO CC1(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)OCCO1 ZINC001168965953 927589141 /nfs/dbraw/zinc/58/91/41/927589141.db2.gz FDOVNSDQKWVTLQ-GHMZBOCLSA-N 1 0 258.318 1.175 20 5 CDBDRO O=C(C1CC1)N1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168966074 927589778 /nfs/dbraw/zinc/58/97/78/927589778.db2.gz GAWVUICMVJDGDO-SMDDNHRTSA-N 1 0 295.383 1.422 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2(c3ccccc3)COC2)C1 ZINC001168968518 927590827 /nfs/dbraw/zinc/59/08/27/927590827.db2.gz ZSLMIEBPPNNXEA-ZFWWWQNUSA-N 1 0 290.363 1.990 20 5 CDBDRO COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1(C)C ZINC001168969788 927592401 /nfs/dbraw/zinc/59/24/01/927592401.db2.gz FPNCFWSTVIIDNE-BJDJZHNGSA-N 1 0 284.356 1.609 20 5 CDBDRO COc1ccc(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001168972524 927596971 /nfs/dbraw/zinc/59/69/71/927596971.db2.gz ABTFDRFUUNEZJA-STQMWFEESA-N 1 0 279.340 1.668 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3ccccc3)COC2)C1 ZINC001168974966 927599331 /nfs/dbraw/zinc/59/93/31/927599331.db2.gz UCWXTTJZWDIVMX-GXTWGEPZSA-N 1 0 276.336 1.947 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc3nccn3c2)C1 ZINC001169003580 927605006 /nfs/dbraw/zinc/60/50/06/927605006.db2.gz OKICIIVTBZAJPH-AAEUAGOBSA-N 1 0 274.324 1.869 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1cc([N+](=O)[O-])ccc1Cl ZINC001168987528 927625297 /nfs/dbraw/zinc/62/52/97/927625297.db2.gz PYXOBXXBPJWHFN-UHFFFAOYSA-N 1 0 281.703 1.639 20 5 CDBDRO COc1cc(-n2nc(CC[NH3+])nc2C)cc([N+](=O)[O-])c1C ZINC001168989093 927627809 /nfs/dbraw/zinc/62/78/09/927627809.db2.gz HKMDPSVSNJYJLA-UHFFFAOYSA-N 1 0 291.311 1.302 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCc3ncccc3C2)C1 ZINC001169034529 927641169 /nfs/dbraw/zinc/64/11/69/927641169.db2.gz HKBXNNWRIFSLDO-AAEUAGOBSA-N 1 0 261.325 1.885 20 5 CDBDRO CCN(CC)[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169036494 927644464 /nfs/dbraw/zinc/64/44/64/927644464.db2.gz GBSHLYWVUQCONX-MELADBBJSA-N 1 0 269.389 1.848 20 5 CDBDRO CN(C)C[C@@H]1CCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037697 927647765 /nfs/dbraw/zinc/64/77/65/927647765.db2.gz SWITWOLAJCSDHV-AVGNSLFASA-N 1 0 255.362 1.458 20 5 CDBDRO CC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169040243 927653569 /nfs/dbraw/zinc/65/35/69/927653569.db2.gz ZBGOGPPVEKEVJZ-YNEHKIRRSA-N 1 0 254.330 1.733 20 5 CDBDRO COC[C@]12COC[C@H]1C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169018907 927659944 /nfs/dbraw/zinc/65/99/44/927659944.db2.gz DHZSSMHDVGRRLU-YIYPIFLZSA-N 1 0 284.356 1.027 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CC3(C2)CCOCC3)C1 ZINC001169021899 927663396 /nfs/dbraw/zinc/66/33/96/927663396.db2.gz AYKBXDXOGGNMOT-VXGBXAGGSA-N 1 0 254.330 1.544 20 5 CDBDRO [NH3+]Cc1cnnn1-c1ccnc2c1cccc2[N+](=O)[O-] ZINC001169312464 927918340 /nfs/dbraw/zinc/91/83/40/927918340.db2.gz ZUZHYSRXTDNJMZ-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cc(NCC[C@H]2CCC[NH2+]2)n1 ZINC001169559071 928173805 /nfs/dbraw/zinc/17/38/05/928173805.db2.gz ZHSNUUQINJHLCA-SECBINFHSA-N 1 0 294.311 1.330 20 5 CDBDRO COc1cc(NCC[C@H]2CCC[NH2+]2)cnc1[N+](=O)[O-] ZINC001169566754 928184875 /nfs/dbraw/zinc/18/48/75/928184875.db2.gz BBVCDMJCDHJFPA-SECBINFHSA-N 1 0 266.301 1.552 20 5 CDBDRO COc1c(F)cc(-n2ccc(C[NH3+])c2)cc1[N+](=O)[O-] ZINC001169725951 928348034 /nfs/dbraw/zinc/34/80/34/928348034.db2.gz OMHKOZONSVVKMP-UHFFFAOYSA-N 1 0 265.244 1.992 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(N[C@@H]3C[NH2+]C[C@H]3CO)ccc2c1 ZINC001170772975 929912369 /nfs/dbraw/zinc/91/23/69/929912369.db2.gz KJXKMKKLCDKZPD-GXFFZTMASA-N 1 0 288.307 1.135 20 5 CDBDRO O=C(NCC1([NH2+]CC2CC2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530765 937390601 /nfs/dbraw/zinc/39/06/01/937390601.db2.gz QDVZQKBZMUJZCV-CHWSQXEVSA-N 1 0 295.383 1.470 20 5 CDBDRO CO[C@@H](C)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819001401 930746451 /nfs/dbraw/zinc/74/64/51/930746451.db2.gz MQFLSIFVVOKIGR-GWCFXTLKSA-N 1 0 268.313 1.643 20 5 CDBDRO CO[C@@]1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000819235623 930772154 /nfs/dbraw/zinc/77/21/54/930772154.db2.gz RBCZWWMDEOPJHR-UONOGXRCSA-N 1 0 296.323 1.023 20 5 CDBDRO C[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1CO ZINC000886295719 930851964 /nfs/dbraw/zinc/85/19/64/930851964.db2.gz IMJKWHOYMUPTOR-JQWIXIFHSA-N 1 0 265.313 1.440 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001160144988 931212058 /nfs/dbraw/zinc/21/20/58/931212058.db2.gz NPKUJCNRECMZQE-QMMMGPOBSA-N 1 0 281.272 1.452 20 5 CDBDRO CCCC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001154149300 937509267 /nfs/dbraw/zinc/50/92/67/937509267.db2.gz GHLCUACVXBXZII-UHFFFAOYSA-N 1 0 279.340 1.991 20 5 CDBDRO CC1(C)C[NH2+][C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001118200114 937602054 /nfs/dbraw/zinc/60/20/54/937602054.db2.gz ZLQMHPGTEZKQMC-CYBMUJFWSA-N 1 0 289.335 1.478 20 5 CDBDRO [NH3+]Cc1cn(-c2cc(Cl)cc([N+](=O)[O-])n2)cn1 ZINC001154906485 937602135 /nfs/dbraw/zinc/60/21/35/937602135.db2.gz GNHXWGNOFOBBAE-UHFFFAOYSA-N 1 0 253.649 1.288 20 5 CDBDRO Cc1nc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)ncc1[N+](=O)[O-] ZINC001155029037 937623424 /nfs/dbraw/zinc/62/34/24/937623424.db2.gz IBPDCRITBYIMDC-ONGXEEELSA-N 1 0 279.344 1.741 20 5 CDBDRO C[C@H]1COC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000932491020 933719578 /nfs/dbraw/zinc/71/95/78/933719578.db2.gz HBGKQKOZJMCGOO-JQWIXIFHSA-N 1 0 293.323 1.548 20 5 CDBDRO CC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC001120499780 937804507 /nfs/dbraw/zinc/80/45/07/937804507.db2.gz GNESOZVBSJGFQB-STQMWFEESA-N 1 0 282.340 1.767 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001122598827 937945190 /nfs/dbraw/zinc/94/51/90/937945190.db2.gz BFXHXCAQCWOBJH-NSHDSACASA-N 1 0 251.286 1.840 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001156043810 938313456 /nfs/dbraw/zinc/31/34/56/938313456.db2.gz FWGMJOXXGGSWAR-UHFFFAOYSA-N 1 0 291.311 1.730 20 5 CDBDRO COc1cc(C)nc(-n2ccc(C[NH3+])cc2=N)c1[N+](=O)[O-] ZINC001156851106 938426086 /nfs/dbraw/zinc/42/60/86/938426086.db2.gz YMRLUFCRQHJKKW-UHFFFAOYSA-N 1 0 289.295 1.036 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(c3cc([N+](=O)[O-])ccn3)C[C@H]21 ZINC001157259713 938470501 /nfs/dbraw/zinc/47/05/01/938470501.db2.gz FSDQAQRPNISPLK-CMPLNLGQSA-N 1 0 262.313 1.520 20 5 CDBDRO CCOc1nc(-n2cc(C[NH3+])cn2)ccc1[N+](=O)[O-] ZINC001157474841 938498761 /nfs/dbraw/zinc/49/87/61/938498761.db2.gz LUSSGIJHTYLYOJ-UHFFFAOYSA-N 1 0 263.257 1.033 20 5 CDBDRO COc1nc(NCC(C)(C)C[NH+](C)C)ncc1[N+](=O)[O-] ZINC001157940675 938566525 /nfs/dbraw/zinc/56/65/25/938566525.db2.gz UVOCAZYOVYEPOW-UHFFFAOYSA-N 1 0 283.332 1.393 20 5 CDBDRO COc1cc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)ncc1[N+](=O)[O-] ZINC001157987831 938572351 /nfs/dbraw/zinc/57/23/51/938572351.db2.gz INILORBNPWDUQZ-SECBINFHSA-N 1 0 289.295 1.000 20 5 CDBDRO [NH3+]CCN(c1cccnc1)c1cc([N+](=O)[O-])ccn1 ZINC001157999901 938573704 /nfs/dbraw/zinc/57/37/04/938573704.db2.gz DKLFTOLQYALXMB-UHFFFAOYSA-N 1 0 259.269 1.482 20 5 CDBDRO CCN(c1ncc([N+](=O)[O-])cc1F)[C@H]1CCC[NH2+]C1 ZINC001158199551 938594443 /nfs/dbraw/zinc/59/44/43/938594443.db2.gz BDWQMHXQJWVBSO-VIFPVBQESA-N 1 0 268.292 1.707 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC([NH2+]C2CCC2)CC1 ZINC001158567986 938638080 /nfs/dbraw/zinc/63/80/80/938638080.db2.gz VDSNSQUTLSNIFM-UHFFFAOYSA-N 1 0 293.327 1.065 20 5 CDBDRO C[C@]1(C[NH3+])CCCN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001158678991 938650000 /nfs/dbraw/zinc/65/00/00/938650000.db2.gz QREMMDCNDMEMMD-GFCCVEGCSA-N 1 0 265.317 1.137 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC2(C1)CCC[NH2+]C2 ZINC001159019516 938691265 /nfs/dbraw/zinc/69/12/65/938691265.db2.gz KSTXNINXOGSARO-UHFFFAOYSA-N 1 0 299.334 1.728 20 5 CDBDRO Cc1cc(Cl)nc(NC[C@@H]2COCC[NH2+]2)c1[N+](=O)[O-] ZINC001159042804 938695609 /nfs/dbraw/zinc/69/56/09/938695609.db2.gz LCFGJPVNKJYOCW-MRVPVSSYSA-N 1 0 286.719 1.352 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CCC2(C[NH2+]C2)CC1 ZINC001159042438 938695709 /nfs/dbraw/zinc/69/57/09/938695709.db2.gz VBOLBSHZEGDJKG-UHFFFAOYSA-N 1 0 282.731 1.833 20 5 CDBDRO O=[N+]([O-])c1c2nsnc2ccc1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162478072 939064739 /nfs/dbraw/zinc/06/47/39/939064739.db2.gz TVDYGGGHDKIGTJ-BQBZGAKWSA-N 1 0 297.315 1.711 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[NH2+][C@@H]1C ZINC001162670639 939111405 /nfs/dbraw/zinc/11/14/05/939111405.db2.gz VBIXMVOATURBBJ-VXNVDRBHSA-N 1 0 251.290 1.194 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC001162677247 939113217 /nfs/dbraw/zinc/11/32/17/939113217.db2.gz CKWWMIAMSGQKAA-RNFRBKRXSA-N 1 0 256.693 1.806 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163263015 939235406 /nfs/dbraw/zinc/23/54/06/939235406.db2.gz UYRMPMBSXGDDMQ-UTLUCORTSA-N 1 0 278.312 1.408 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1N[C@H]1C[NH+]2CCC1CC2 ZINC001163392685 939261300 /nfs/dbraw/zinc/26/13/00/939261300.db2.gz AVHIOJXKGHXFMN-LBPRGKRZSA-N 1 0 278.312 1.505 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N(C)CC[NH+](C)C)n1 ZINC001163589649 939290392 /nfs/dbraw/zinc/29/03/92/939290392.db2.gz HKQUXWJDJZUPRD-UHFFFAOYSA-N 1 0 273.724 1.344 20 5 CDBDRO Cc1c(C)c(N(C)CCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001163596017 939291973 /nfs/dbraw/zinc/29/19/73/939291973.db2.gz RMUGCQCHDJMUSI-UHFFFAOYSA-N 1 0 266.345 1.995 20 5 CDBDRO COc1nc(C)nc(N[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC001163773739 939328039 /nfs/dbraw/zinc/32/80/39/939328039.db2.gz VTHWUANNOVMBLH-ZETCQYMHSA-N 1 0 269.305 1.064 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1cc2c(c([N+](=O)[O-])c1)NN(C)C2 ZINC001163988994 939374272 /nfs/dbraw/zinc/37/42/72/939374272.db2.gz ZFTISOSBNFXTAY-UHFFFAOYSA-N 1 0 288.311 1.320 20 5 CDBDRO C[C@@H]1CC[C@@H](C[NH3+])N(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC001164066852 939403937 /nfs/dbraw/zinc/40/39/37/939403937.db2.gz APYIDPGZLSHROS-SCZZXKLOSA-N 1 0 268.292 1.693 20 5 CDBDRO CC[N+](C)(C)Cc1ccccc1NC[C@H]1CCC(=O)N1 ZINC001164166662 939424443 /nfs/dbraw/zinc/42/44/43/939424443.db2.gz IKSPUZJSUNPBMT-CQSZACIVSA-O 1 0 276.404 1.973 20 5 CDBDRO CC(=O)N1CCc2cc(N3CC[C@H]([NH3+])C3)cc([N+](=O)[O-])c21 ZINC001164286954 939447204 /nfs/dbraw/zinc/44/72/04/939447204.db2.gz ZVWXXEAHVBZDCG-NSHDSACASA-N 1 0 290.323 1.041 20 5 CDBDRO Cc1nc(N2CCC3(CCCC[NH2+]3)CC2)ncc1[N+](=O)[O-] ZINC001165248119 939533014 /nfs/dbraw/zinc/53/30/14/939533014.db2.gz FPZJSPNPQAUBLK-UHFFFAOYSA-N 1 0 291.355 1.806 20 5 CDBDRO CC(C)Oc1nc(N2CCC[C@@H]3[NH2+]C[C@@H]32)ccc1[N+](=O)[O-] ZINC001165393965 939558060 /nfs/dbraw/zinc/55/80/60/939558060.db2.gz GXDONPWGVNWERU-JQWIXIFHSA-N 1 0 292.339 1.718 20 5 CDBDRO Cc1nc(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)ccc1[N+](=O)[O-] ZINC001165427705 939563147 /nfs/dbraw/zinc/56/31/47/939563147.db2.gz SJZFOBZNEJOZDK-WDEREUQCSA-N 1 0 294.330 1.811 20 5 CDBDRO [NH3+]C1([C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@@H]2CF)CC1 ZINC001165432106 939564458 /nfs/dbraw/zinc/56/44/58/939564458.db2.gz SYLKACNCODROIA-WCBMZHEXSA-N 1 0 298.293 1.642 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(N2CCC([NH3+])CC2)nc1Cl ZINC001166661996 939623325 /nfs/dbraw/zinc/62/33/25/939623325.db2.gz GNYFAVQLBCJPMP-UHFFFAOYSA-N 1 0 270.720 1.879 20 5 CDBDRO COc1ccccc1C(=O)CO[C@@H](C)C[N+](C)(C)C ZINC001204739240 939787156 /nfs/dbraw/zinc/78/71/56/939787156.db2.gz VUSKHGFJJDPFFG-LBPRGKRZSA-N 1 0 266.361 1.989 20 5 CDBDRO C[C@@]1([NH3+])CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000405739529 940995694 /nfs/dbraw/zinc/99/56/94/940995694.db2.gz BPIBWCFOOXHBFR-HJHHMULASA-N 1 0 275.308 1.558 20 5 CDBDRO C[C@@H](Oc1ccc(N)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001218007583 941035670 /nfs/dbraw/zinc/03/56/70/941035670.db2.gz ZMWWJZDMAJJTNJ-SECBINFHSA-N 1 0 265.313 1.944 20 5 CDBDRO Nc1ccc(O[C@H]2CC[C@@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001218122663 941041029 /nfs/dbraw/zinc/04/10/29/941041029.db2.gz HRIBDUDRMFIGCY-STQMWFEESA-N 1 0 263.297 1.698 20 5 CDBDRO COC(=O)c1sc([N+](=O)[O-])cc1O[C@@H]1CCC[NH2+]C1 ZINC001218283582 941050955 /nfs/dbraw/zinc/05/09/55/941050955.db2.gz PETCVYUXHCHLEQ-SSDOTTSWSA-N 1 0 286.309 1.574 20 5 CDBDRO CCOC(=O)c1ccc(CO[C@H](C)C[N+](C)(C)C)nc1 ZINC001222977492 941646046 /nfs/dbraw/zinc/64/60/46/941646046.db2.gz NQHJVOWLTUVRHT-GFCCVEGCSA-N 1 0 281.376 1.870 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCc1ccc(-n2cncn2)cc1 ZINC001223380982 941674097 /nfs/dbraw/zinc/67/40/97/941674097.db2.gz CQGJUEDWNKBJTB-ZDUSSCGKSA-N 1 0 275.376 1.879 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCCNC(=O)OC(C)(C)C ZINC001224332861 941743953 /nfs/dbraw/zinc/74/39/53/941743953.db2.gz XDHVTCJRQUWDBT-LLVKDONJSA-O 1 0 261.386 1.622 20 5 CDBDRO C[N+](C)(C)CCOC[C@@H]1COc2ccccc2O1 ZINC001224771310 941790264 /nfs/dbraw/zinc/79/02/64/941790264.db2.gz JPBXWYDYTPROGP-GFCCVEGCSA-N 1 0 252.334 1.549 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(c1)OCC2=O ZINC001225340043 941845435 /nfs/dbraw/zinc/84/54/35/941845435.db2.gz AQFWIVKABMXTIW-JTQLQIEISA-N 1 0 250.318 1.735 20 5 CDBDRO CCc1ncccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225453548 941862116 /nfs/dbraw/zinc/86/21/16/941862116.db2.gz OURAABNVZPXUCD-LLVKDONJSA-N 1 0 267.349 1.007 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccnc(Cl)c1 ZINC001225781055 941912681 /nfs/dbraw/zinc/91/26/81/941912681.db2.gz HLZBBRUSVUGHKF-SECBINFHSA-N 1 0 273.740 1.098 20 5 CDBDRO COC(=O)c1ccc(OC)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001226277782 941979376 /nfs/dbraw/zinc/97/93/76/941979376.db2.gz WKWSBBXMQVXLEJ-LLVKDONJSA-N 1 0 282.360 1.955 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cncc2ccccc21 ZINC001226746282 942061909 /nfs/dbraw/zinc/06/19/09/942061909.db2.gz ODKSKYYXDJBNRV-CYBMUJFWSA-N 1 0 289.355 1.597 20 5 CDBDRO C[C@@H](C[NH+](C)C)Oc1cc(Cl)c([N+](=O)[O-])cn1 ZINC001226918510 942095159 /nfs/dbraw/zinc/09/51/59/942095159.db2.gz YBAWPPRDISGTPP-ZETCQYMHSA-N 1 0 259.693 1.972 20 5 CDBDRO Cc1ccc(OC[C@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC001226951647 942101693 /nfs/dbraw/zinc/10/16/93/942101693.db2.gz COZVKNBKBPOUMP-GFCCVEGCSA-N 1 0 266.297 1.613 20 5 CDBDRO C[NH+]1CCC(Oc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001227104995 942132520 /nfs/dbraw/zinc/13/25/20/942132520.db2.gz GFRHVLATQFYRDZ-UHFFFAOYSA-N 1 0 282.256 1.371 20 5 CDBDRO COC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1CCC[N@H+](C)C1 ZINC001227121686 942135640 /nfs/dbraw/zinc/13/56/40/942135640.db2.gz FGIUUZXWFRAZTJ-JTQLQIEISA-N 1 0 294.307 1.854 20 5 CDBDRO CC[N@@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])c3nc[nH]c32)C1 ZINC001227690954 942204649 /nfs/dbraw/zinc/20/46/49/942204649.db2.gz LJOVUWANNUSQIY-VIFPVBQESA-N 1 0 291.311 1.729 20 5 CDBDRO Cn1ccc2c1cccc2OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001229039632 942410826 /nfs/dbraw/zinc/41/08/26/942410826.db2.gz KRJCYQWBCHQIIM-GFCCVEGCSA-N 1 0 291.371 1.541 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CC[N@H+](C)C1 ZINC001229054761 942412528 /nfs/dbraw/zinc/41/25/28/942412528.db2.gz AQGAMLYBTSCFGZ-JTQLQIEISA-N 1 0 280.280 1.464 20 5 CDBDRO CC(=O)NCCc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001229668363 942508054 /nfs/dbraw/zinc/50/80/54/942508054.db2.gz JLKXYCVNBWAJJO-ZDUSSCGKSA-O 1 0 279.404 1.839 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001233577849 943619957 /nfs/dbraw/zinc/61/99/57/943619957.db2.gz LLCASNKJXVRQRQ-SECBINFHSA-N 1 0 284.292 1.977 20 5 CDBDRO COC(=O)c1cc(F)c(=O)[nH]c1O[C@H](C)C[N+](C)(C)C ZINC001234606818 943913499 /nfs/dbraw/zinc/91/34/99/943913499.db2.gz OLFGDXWUQHUTCC-MRVPVSSYSA-O 1 0 287.311 1.186 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(c1)CCN(C)C2=O ZINC001234612223 943915960 /nfs/dbraw/zinc/91/59/60/943915960.db2.gz LCJOSZBSCYJJCK-LBPRGKRZSA-N 1 0 277.388 1.788 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)[C@@H]1CCOC1 ZINC001254548109 947518269 /nfs/dbraw/zinc/51/82/69/947518269.db2.gz KCPVFEJUOHVGAD-BNOWGMLFSA-N 1 0 294.351 1.513 20 5 CDBDRO Cc1cnc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001254565258 947527281 /nfs/dbraw/zinc/52/72/81/947527281.db2.gz CSTMCMLNSUQKDC-CYBMUJFWSA-N 1 0 284.319 1.950 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[C@@H](O)C1)C2 ZINC001254565141 947527315 /nfs/dbraw/zinc/52/73/15/947527315.db2.gz CAKKMSDKUHXXJX-OUCADQQQSA-N 1 0 262.309 1.565 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1(O)CCCC1)C2 ZINC001254566216 947527329 /nfs/dbraw/zinc/52/73/29/947527329.db2.gz ITIWZEFPSBYBLD-CYBMUJFWSA-N 1 0 276.336 1.957 20 5 CDBDRO COC(=O)CN(C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254564736 947527779 /nfs/dbraw/zinc/52/77/79/947527779.db2.gz MQYSLTPSCGDAFN-JTQLQIEISA-N 1 0 266.297 1.631 20 5 CDBDRO CCOCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254569412 947531457 /nfs/dbraw/zinc/53/14/57/947531457.db2.gz XTWXRFLAFCJBJI-LBPRGKRZSA-N 1 0 250.298 1.688 20 5 CDBDRO [NH3+]CCN(c1ccccn1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573513 947532388 /nfs/dbraw/zinc/53/23/88/947532388.db2.gz BDWOIRMUFKSZDK-OAHLLOKOSA-N 1 0 298.346 1.922 20 5 CDBDRO Cc1cc(C[NH3+])nn1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572453 947533275 /nfs/dbraw/zinc/53/32/75/947533275.db2.gz NVTAOKMICLRHJM-CQSZACIVSA-N 1 0 272.308 1.898 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](O)c1ccccn1)C2 ZINC001254578564 947535162 /nfs/dbraw/zinc/53/51/62/947535162.db2.gz MKTBDWHTHWQJCT-XJKSGUPXSA-N 1 0 299.330 1.780 20 5 CDBDRO CC(C)CNC(=O)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254576514 947535191 /nfs/dbraw/zinc/53/51/91/947535191.db2.gz WQHHNDRYRLHPIV-CYBMUJFWSA-N 1 0 291.351 1.424 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cnoc1)C2 ZINC001254585837 947539860 /nfs/dbraw/zinc/53/98/60/947539860.db2.gz XQIXOBKKQUKZJQ-GFCCVEGCSA-N 1 0 259.265 1.840 20 5 CDBDRO CCOC(=O)CCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254583908 947540164 /nfs/dbraw/zinc/54/01/64/947540164.db2.gz OWWZNTJGVNTMEZ-CYBMUJFWSA-N 1 0 292.335 1.995 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N[C@H]1CCCC[NH2+]C1)C2 ZINC001246089411 947938695 /nfs/dbraw/zinc/93/86/95/947938695.db2.gz DWKWAIGAGCZCRJ-KBPBESRZSA-N 1 0 275.352 1.794 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246103696 947955521 /nfs/dbraw/zinc/95/55/21/947955521.db2.gz YMBHPQPRQBVTNA-RIEGTJTDSA-N 1 0 275.352 1.650 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N[C@H]1CCC[NH2+]C1)C2 ZINC001246119054 947970727 /nfs/dbraw/zinc/97/07/27/947970727.db2.gz ANGJIZLUZGFDLS-STQMWFEESA-N 1 0 261.325 1.404 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC001246526476 948228821 /nfs/dbraw/zinc/22/88/21/948228821.db2.gz XYIBNRTYWMSLHQ-LBPRGKRZSA-N 1 0 263.341 1.821 20 5 CDBDRO C[C@@H]1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1[NH3+] ZINC001246561233 948273071 /nfs/dbraw/zinc/27/30/71/948273071.db2.gz JOEFDXFLPZMIQR-BIGNPOOSSA-N 1 0 261.325 1.341 20 5 CDBDRO C[NH2+][C@@H](C)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247490145 948646108 /nfs/dbraw/zinc/64/61/08/948646108.db2.gz BVYDWDFSGUQGNB-YFKPBYRVSA-N 1 0 267.220 1.459 20 5 CDBDRO CC(C)(CCC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)[N+](=O)[O-] ZINC001324412074 953378465 /nfs/dbraw/zinc/37/84/65/953378465.db2.gz QFFLFCOZVQNZME-LBPRGKRZSA-N 1 0 283.372 1.519 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C)[NH+](C)C ZINC001326005985 954181280 /nfs/dbraw/zinc/18/12/80/954181280.db2.gz XCDRBTQFWQKZBN-SECBINFHSA-N 1 0 296.327 1.675 20 5 CDBDRO CC[NH+](CC)C1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC001318525221 958154070 /nfs/dbraw/zinc/15/40/70/958154070.db2.gz VLYUWZQQBGMOLV-UHFFFAOYSA-N 1 0 295.387 1.947 20 5 CDBDRO CCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC001333273498 958203658 /nfs/dbraw/zinc/20/36/58/958203658.db2.gz RBBGQNBROLWIJA-GFCCVEGCSA-N 1 0 293.323 1.184 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001318681059 958225777 /nfs/dbraw/zinc/22/57/77/958225777.db2.gz ZHHNGBHDELRKPC-NXEZZACHSA-N 1 0 267.333 1.613 20 5 CDBDRO Cc1cc(N)nc(N2CCc3ccc([N+](=O)[O-])cc3C2)[nH+]1 ZINC001333711062 958534539 /nfs/dbraw/zinc/53/45/39/958534539.db2.gz NSLJXLGEGJHICA-UHFFFAOYSA-N 1 0 285.307 1.838 20 5 CDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CO1 ZINC001335969389 960129936 /nfs/dbraw/zinc/12/99/36/960129936.db2.gz SVRPVFGDKZNVHJ-NQBHXWOUSA-N 1 0 296.323 1.102 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@]2(O)CCSC2)c1 ZINC001336802377 960602351 /nfs/dbraw/zinc/60/23/51/960602351.db2.gz CJOKIKWDHZUZGY-QWHCGFSZSA-N 1 0 298.364 1.086 20 5 CDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc(N)c([N+](=O)[O-])cn1 ZINC001337050068 960892478 /nfs/dbraw/zinc/89/24/78/960892478.db2.gz VKUQZJFKEPLZSC-NSHDSACASA-N 1 0 293.371 1.883 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](CNc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001337755445 961406570 /nfs/dbraw/zinc/40/65/70/961406570.db2.gz LLTZGPUAOJOKSO-JTQLQIEISA-N 1 0 279.344 1.716 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc(N)c([N+](=O)[O-])n1 ZINC001339608469 962447672 /nfs/dbraw/zinc/44/76/72/962447672.db2.gz BWDXMRJTZWIUBM-KCJUWKMLSA-N 1 0 277.328 1.467 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341664755 963504376 /nfs/dbraw/zinc/50/43/76/963504376.db2.gz FOZGBGCWZUEJHN-HONMWMINSA-N 1 0 291.351 1.813 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001342358293 963719241 /nfs/dbraw/zinc/71/92/41/963719241.db2.gz JKUUYZDPLMLPAK-WFASDCNBSA-N 1 0 289.335 1.396 20 5 CDBDRO C[NH+]1CCN(C(C)(C)CNc2ncc([N+](=O)[O-])s2)CC1 ZINC001344595736 964376330 /nfs/dbraw/zinc/37/63/30/964376330.db2.gz UWJCYXACAVFFDL-UHFFFAOYSA-N 1 0 299.400 1.489 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001345048232 964550194 /nfs/dbraw/zinc/55/01/94/964550194.db2.gz BBCYSJPVQPHFPX-WCBMZHEXSA-N 1 0 281.337 1.338 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001346025873 964889232 /nfs/dbraw/zinc/88/92/32/964889232.db2.gz CHRFFWRPFXVDGK-NWDGAFQWSA-N 1 0 276.340 1.759 20 5 CDBDRO C[C@@H](CC[NH+]1CCCC1)OC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC001350299237 966627149 /nfs/dbraw/zinc/62/71/49/966627149.db2.gz ANJPMVWVMOWRMC-NSHDSACASA-N 1 0 296.327 1.209 20 5 CDBDRO COc1ccc(NC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC001352095039 967092938 /nfs/dbraw/zinc/09/29/38/967092938.db2.gz FWUXSOJOFKCRFL-QOSJWCAFSA-N 1 0 277.280 1.150 20 5 CDBDRO COC[C@@H](C)NC(=[NH2+])NCCOc1ccc([N+](=O)[O-])cc1 ZINC000849007242 969400770 /nfs/dbraw/zinc/40/07/70/969400770.db2.gz DWIJCPKRRFBPKW-SNVBAGLBSA-N 1 0 296.327 1.122 20 5 CDBDRO COC[C@@]1(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC001356536086 969420553 /nfs/dbraw/zinc/42/05/53/969420553.db2.gz BDRNJIAVIBGAOA-CQSZACIVSA-N 1 0 293.323 1.468 20 5 CDBDRO C[C@H](CNC(=O)[C@@H]1CCCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001358388741 969729897 /nfs/dbraw/zinc/72/98/97/969729897.db2.gz NYUSEXZCKJFYBF-YPMHNXCESA-N 1 0 291.351 1.957 20 5 CDBDRO O=[N+]([O-])c1ccc(CO[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000089065572 1173973199 /nfs/dbraw/zinc/97/31/99/1173973199.db2.gz HNVNITXYUHJLHV-LLVKDONJSA-N 1 0 281.268 1.772 20 5 CDBDRO Cc1cc(COC(=O)[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC001574133408 1170891782 /nfs/dbraw/zinc/89/17/82/1170891782.db2.gz CFIJVHBYEOSJGL-LLVKDONJSA-N 1 0 264.281 1.698 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001576005317 1171312490 /nfs/dbraw/zinc/31/24/90/1171312490.db2.gz LKRJXQJLLYLKJO-ZETCQYMHSA-N 1 0 270.264 1.545 20 5 CDBDRO CN(C[C@H]1CC[NH2+]1)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001578456067 1171919607 /nfs/dbraw/zinc/91/96/07/1171919607.db2.gz MEXVHBTZKXMGPB-SSDOTTSWSA-N 1 0 290.245 1.807 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000275832452 341978497 /nfs/dbraw/zinc/97/84/97/341978497.db2.gz YEWNNWOTMHWPTN-RKDXNWHRSA-N 1 0 269.326 1.656 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000587973714 342487552 /nfs/dbraw/zinc/48/75/52/342487552.db2.gz WXLSANNRWJBTQA-SNVBAGLBSA-N 1 0 292.339 1.447 20 5 CDBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1(C)C ZINC000601186667 342489336 /nfs/dbraw/zinc/48/93/36/342489336.db2.gz UIYWSGRXAGWGIV-UHFFFAOYSA-N 1 0 292.339 1.224 20 5 CDBDRO C[NH+](C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000589102041 342497025 /nfs/dbraw/zinc/49/70/25/342497025.db2.gz UUPDPFNLAPHUSY-QMMMGPOBSA-N 1 0 273.720 1.583 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000590140435 342522907 /nfs/dbraw/zinc/52/29/07/342522907.db2.gz IMXMYLDTTIBDON-JTQLQIEISA-N 1 0 290.327 1.025 20 5 CDBDRO COc1ccc(CN2C[C@@H]3C[C@H]2C[NH2+]3)cc1[N+](=O)[O-] ZINC000601327806 342554272 /nfs/dbraw/zinc/55/42/72/342554272.db2.gz YTKRCGMMFQKUGX-QWRGUYRKSA-N 1 0 263.297 1.150 20 5 CDBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000235585645 342050602 /nfs/dbraw/zinc/05/06/02/342050602.db2.gz XDNGBPNMKIZPQS-APPZFPTMSA-N 1 0 265.269 1.237 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[C@H](F)C1)OCCO2 ZINC000590658755 342581305 /nfs/dbraw/zinc/58/13/05/342581305.db2.gz VYDIXHNGFQBWND-JTQLQIEISA-N 1 0 282.271 1.910 20 5 CDBDRO C[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000565215676 365605201 /nfs/dbraw/zinc/60/52/01/365605201.db2.gz MUHPAOKCWGRKPN-UWVGGRQHSA-N 1 0 265.313 1.688 20 5 CDBDRO CC[C@@H]1C[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591765594 342645757 /nfs/dbraw/zinc/64/57/57/342645757.db2.gz AEFWAWTWEZVMHO-MPKXVKKWSA-N 1 0 280.324 1.723 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NCc1ccc([N+](=O)[O-])cc1F ZINC000592439027 342693007 /nfs/dbraw/zinc/69/30/07/342693007.db2.gz XVQPFBPCEPVVJG-DTWKUNHWSA-N 1 0 255.293 1.949 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1[N+](=O)[O-] ZINC000592541700 342708811 /nfs/dbraw/zinc/70/88/11/342708811.db2.gz JOAANYNBAHPLFD-SQNXGDPESA-N 1 0 289.335 1.831 20 5 CDBDRO C[C@H](C(=O)N1CC[N@@H+]2CC[C@H]1C2)c1cccc([N+](=O)[O-])c1 ZINC000597709105 539088289 /nfs/dbraw/zinc/08/82/89/539088289.db2.gz URJZQUFVECFQFV-FZMZJTMJSA-N 1 0 289.335 1.615 20 5 CDBDRO O=C1CC[C@@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)N1 ZINC000593020175 342758397 /nfs/dbraw/zinc/75/83/97/342758397.db2.gz MQZXXXMKQXPBCI-LBPRGKRZSA-N 1 0 289.335 1.838 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(C2CCC2)CC1 ZINC000593081377 342763179 /nfs/dbraw/zinc/76/31/79/342763179.db2.gz NDPYFGACWAAZDH-UHFFFAOYSA-N 1 0 277.324 1.679 20 5 CDBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])o1 ZINC000594201686 342879868 /nfs/dbraw/zinc/87/98/68/342879868.db2.gz PGFQPJJAORTTFO-WDEREUQCSA-N 1 0 293.323 1.935 20 5 CDBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000609383443 342264736 /nfs/dbraw/zinc/26/47/36/342264736.db2.gz NZQYLVNJAQMSRG-ZDUSSCGKSA-N 1 0 289.335 1.809 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)C[C@H]21 ZINC000125661377 187195005 /nfs/dbraw/zinc/19/50/05/187195005.db2.gz DNYKOXCNAJOLFJ-FBIMIBRVSA-N 1 0 295.364 1.856 20 5 CDBDRO C[NH+](C)CCN(Cc1ccco1)c1ncc([N+](=O)[O-])cn1 ZINC000273144389 192056334 /nfs/dbraw/zinc/05/63/34/192056334.db2.gz FTXSJBZLYLMWAO-UHFFFAOYSA-N 1 0 291.311 1.546 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)CO ZINC000595011620 342990310 /nfs/dbraw/zinc/99/03/10/342990310.db2.gz CHFCCCHAFQFWHE-IUCAKERBSA-N 1 0 254.286 1.635 20 5 CDBDRO COCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595005844 342989364 /nfs/dbraw/zinc/98/93/64/342989364.db2.gz DTLMQXCZKJOYCZ-SECBINFHSA-N 1 0 254.286 1.900 20 5 CDBDRO C[C@@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000595228778 343009414 /nfs/dbraw/zinc/00/94/14/343009414.db2.gz LIVRDRHZTWKGRY-MFKMUULPSA-N 1 0 293.323 1.169 20 5 CDBDRO COc1cccc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000595260519 343014381 /nfs/dbraw/zinc/01/43/81/343014381.db2.gz ANZKMFOAYZMRRI-NXEZZACHSA-N 1 0 297.286 1.115 20 5 CDBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000404728489 349776846 /nfs/dbraw/zinc/77/68/46/349776846.db2.gz AHEWYOAHRNOSBS-STQMWFEESA-N 1 0 263.341 1.853 20 5 CDBDRO CC[C@H](C)[N@H+](CC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000595598462 343115201 /nfs/dbraw/zinc/11/52/01/343115201.db2.gz DJJQIVIGZVEZBL-NSHDSACASA-N 1 0 267.329 1.877 20 5 CDBDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000595674539 343128960 /nfs/dbraw/zinc/12/89/60/343128960.db2.gz LERDUMWFLUYKEZ-AAEUAGOBSA-N 1 0 282.344 1.274 20 5 CDBDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595868046 343176461 /nfs/dbraw/zinc/17/64/61/343176461.db2.gz QYZYHHSYBKCECU-SCRDCRAPSA-N 1 0 296.371 1.805 20 5 CDBDRO [NH3+]C1(CNC(=O)CNc2ccccc2[N+](=O)[O-])CCCC1 ZINC000595966465 343198367 /nfs/dbraw/zinc/19/83/67/343198367.db2.gz GKPGVEVAODZGOD-UHFFFAOYSA-N 1 0 292.339 1.394 20 5 CDBDRO CN(CC[NH+](C)C)c1nc2sccn2c1[N+](=O)[O-] ZINC000080684884 342359140 /nfs/dbraw/zinc/35/91/40/342359140.db2.gz CLLQRXYGKFJKGX-UHFFFAOYSA-N 1 0 269.330 1.302 20 5 CDBDRO COc1cc(C[NH2+]CCOCCF)c([N+](=O)[O-])cc1O ZINC000596057000 343222494 /nfs/dbraw/zinc/22/24/94/343222494.db2.gz FDGZIAVCIOQAAH-UHFFFAOYSA-N 1 0 288.275 1.385 20 5 CDBDRO C[C@]1(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000595992935 343213273 /nfs/dbraw/zinc/21/32/73/343213273.db2.gz UJHWVFFFGDPHSR-AWEZNQCLSA-N 1 0 277.324 1.396 20 5 CDBDRO C[C@H]1CCCN(c2ccc(N)c([N+](=O)[O-])n2)[C@@H]1CC[NH3+] ZINC000596014565 343218861 /nfs/dbraw/zinc/21/88/61/343218861.db2.gz QUDWFKVZBDHELI-GXSJLCMTSA-N 1 0 279.344 1.526 20 5 CDBDRO CC(C)[N@H+](C)CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596109788 343229908 /nfs/dbraw/zinc/22/99/08/343229908.db2.gz JRMPDLRCSRVKST-UHFFFAOYSA-N 1 0 254.290 1.448 20 5 CDBDRO CCC[N@H+](C)C[C@@H]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596143858 343242451 /nfs/dbraw/zinc/24/24/51/343242451.db2.gz WKFGQCZQQJRZOS-NSHDSACASA-N 1 0 294.355 1.864 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000596123093 343248363 /nfs/dbraw/zinc/24/83/63/343248363.db2.gz OCNORSRKNZOKFI-ZDUSSCGKSA-N 1 0 278.312 1.777 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000596448116 343324012 /nfs/dbraw/zinc/32/40/12/343324012.db2.gz VFLODRFLOUWZHM-JTQLQIEISA-N 1 0 294.355 1.536 20 5 CDBDRO Cn1ccnc1[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000535316699 282250908 /nfs/dbraw/zinc/25/09/08/282250908.db2.gz RGYAEWIIWBTPHB-LLVKDONJSA-N 1 0 290.327 1.014 20 5 CDBDRO CCc1nn(C)c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000092830494 342419430 /nfs/dbraw/zinc/41/94/30/342419430.db2.gz HCNFOQNVSXUFQP-MNOVXSKESA-N 1 0 293.371 1.564 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000219755085 342439543 /nfs/dbraw/zinc/43/95/43/342439543.db2.gz JMGMWFCENDQOLT-WYGGZMRJSA-N 1 0 261.281 1.168 20 5 CDBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])o1)C2 ZINC000597714848 343608682 /nfs/dbraw/zinc/60/86/82/343608682.db2.gz KFYYXGIXNPCYCW-CQSZACIVSA-N 1 0 293.323 1.746 20 5 CDBDRO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])s1)[NH+](C)C ZINC000597994632 343684299 /nfs/dbraw/zinc/68/42/99/343684299.db2.gz CLMIVOVAZPHIQN-QMMMGPOBSA-N 1 0 271.342 1.726 20 5 CDBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000598261684 343743868 /nfs/dbraw/zinc/74/38/68/343743868.db2.gz SQIHMJXDWNZITK-JTQLQIEISA-N 1 0 295.343 1.168 20 5 CDBDRO C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000598644837 343854930 /nfs/dbraw/zinc/85/49/30/343854930.db2.gz AQMURWWMHJIWRR-OLZOCXBDSA-N 1 0 294.351 1.924 20 5 CDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)Cc1ccccc1[N+](=O)[O-])C2 ZINC000598667449 343862573 /nfs/dbraw/zinc/86/25/73/343862573.db2.gz HONVHSLEWNFASN-WFASDCNBSA-N 1 0 289.335 1.477 20 5 CDBDRO [NH3+]CC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000598916628 343920472 /nfs/dbraw/zinc/92/04/72/343920472.db2.gz HOGXPJSGNJQHRC-UHFFFAOYSA-N 1 0 296.302 1.937 20 5 CDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1C[C@@H](O)C1 ZINC000599673817 344115000 /nfs/dbraw/zinc/11/50/00/344115000.db2.gz TWQXMRGZWUFXKI-BJHJDKERSA-N 1 0 280.324 1.676 20 5 CDBDRO C[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000602430606 344423324 /nfs/dbraw/zinc/42/33/24/344423324.db2.gz JPAQPYBCYOHHLG-ZJUUUORDSA-N 1 0 295.314 1.852 20 5 CDBDRO COc1cc(C(=O)N2C[C@H]([NH3+])C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000602596757 344502909 /nfs/dbraw/zinc/50/29/09/344502909.db2.gz QRZIIJYTNMHDTO-LDYMZIIASA-N 1 0 293.323 1.474 20 5 CDBDRO CSc1ccc(C(=O)N2C[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000602596777 344502914 /nfs/dbraw/zinc/50/29/14/344502914.db2.gz QZZWUZQOLUGIHV-SCZZXKLOSA-N 1 0 295.364 1.878 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000602597602 344503535 /nfs/dbraw/zinc/50/35/35/344503535.db2.gz VWIZRJJCNMVLOS-ONGXEEELSA-N 1 0 263.297 1.465 20 5 CDBDRO COc1ccc(C(=O)N2C[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000602598965 344504038 /nfs/dbraw/zinc/50/40/38/344504038.db2.gz MJBIZJICFDCAOP-PSASIEDQSA-N 1 0 279.296 1.165 20 5 CDBDRO Cc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1[N+](=O)[O-] ZINC000602588499 344479068 /nfs/dbraw/zinc/47/90/68/344479068.db2.gz ATBPVSMMYRKOMP-PHIMTYICSA-N 1 0 275.308 1.480 20 5 CDBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602590729 344479868 /nfs/dbraw/zinc/47/98/68/344479868.db2.gz ZBGWWRLZKUOWFF-ONGXEEELSA-N 1 0 287.275 1.527 20 5 CDBDRO COc1ncc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)s1 ZINC000602569697 344484904 /nfs/dbraw/zinc/48/49/04/344484904.db2.gz RCZKWSAZMMNLKV-UHFFFAOYSA-N 1 0 283.313 1.046 20 5 CDBDRO C[C@H](O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602575777 344488207 /nfs/dbraw/zinc/48/82/07/344488207.db2.gz KADBYRRTVKGZDL-YFKPBYRVSA-N 1 0 295.158 1.889 20 5 CDBDRO CCOc1ccc(C(=O)N2C[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000602594786 344501891 /nfs/dbraw/zinc/50/18/91/344501891.db2.gz DEPLGEVOJZCAFR-MWLCHTKSSA-N 1 0 293.323 1.555 20 5 CDBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1(CO)CC1 ZINC000602710238 344552128 /nfs/dbraw/zinc/55/21/28/344552128.db2.gz VYQLSDKPHPYLHE-NSHDSACASA-N 1 0 264.325 1.888 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000602775615 344577989 /nfs/dbraw/zinc/57/79/89/344577989.db2.gz KIBCSMAJADFHHF-ZYHUDNBSSA-N 1 0 282.344 1.335 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000602795311 344586731 /nfs/dbraw/zinc/58/67/31/344586731.db2.gz AIBMAMAPOXRDCQ-MNOVXSKESA-N 1 0 281.360 1.124 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C(C)(C)c1cnn(C)c1 ZINC000602809879 344602394 /nfs/dbraw/zinc/60/23/94/344602394.db2.gz JDXBFRSUMMQGPS-UHFFFAOYSA-N 1 0 292.343 1.358 20 5 CDBDRO C[C@@H]1[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343516067 362491065 /nfs/dbraw/zinc/49/10/65/362491065.db2.gz KNIUTDNPKHPKBK-DGCLKSJQSA-N 1 0 291.351 1.736 20 5 CDBDRO CC[C@]1(O)CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602983348 344675284 /nfs/dbraw/zinc/67/52/84/344675284.db2.gz IPQIKKJFISSDLQ-ZDUSSCGKSA-N 1 0 282.344 1.337 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C1CC1)C1(CO)CCC1 ZINC000602838700 344620859 /nfs/dbraw/zinc/62/08/59/344620859.db2.gz BDZFTDUBYNSKGP-UHFFFAOYSA-N 1 0 294.355 1.479 20 5 CDBDRO CC[C@H]([NH3+])c1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000603202586 344734408 /nfs/dbraw/zinc/73/44/08/344734408.db2.gz KYZPSHIVPXCGLR-JTQLQIEISA-N 1 0 279.275 1.784 20 5 CDBDRO COc1cc([N+](=O)[O-])cn(CC[NH+]2CCC(C)CC2)c1=O ZINC000603358298 344782775 /nfs/dbraw/zinc/78/27/75/344782775.db2.gz HVEVZOPIYOZWHJ-UHFFFAOYSA-N 1 0 295.339 1.497 20 5 CDBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000603840364 344837514 /nfs/dbraw/zinc/83/75/14/344837514.db2.gz KEUKHWMSAGVKIE-GFCCVEGCSA-N 1 0 294.355 1.759 20 5 CDBDRO O=C(N[C@@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000604431606 344890425 /nfs/dbraw/zinc/89/04/25/344890425.db2.gz BFSRFVNWDHSQTC-MRVPVSSYSA-N 1 0 281.337 1.623 20 5 CDBDRO C[N@@H+]1CCCN(CCCNc2cccnc2[N+](=O)[O-])CC1 ZINC000604527597 344899906 /nfs/dbraw/zinc/89/99/06/344899906.db2.gz GTNUROUARTZZTC-UHFFFAOYSA-N 1 0 293.371 1.429 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000537610116 282374531 /nfs/dbraw/zinc/37/45/31/282374531.db2.gz DPTUMYVCPHMXLB-GWCFXTLKSA-N 1 0 292.339 1.100 20 5 CDBDRO C[NH2+][C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000129089804 362504817 /nfs/dbraw/zinc/50/48/17/362504817.db2.gz YWLHWCDNOLDFJT-MRVPVSSYSA-N 1 0 256.693 1.441 20 5 CDBDRO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)CO ZINC000293452417 362553420 /nfs/dbraw/zinc/55/34/20/362553420.db2.gz PLMITYXUUKURKA-JTQLQIEISA-N 1 0 268.313 1.806 20 5 CDBDRO COC[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000265776498 362602319 /nfs/dbraw/zinc/60/23/19/362602319.db2.gz JQNTUCVWOAMMFE-LBPRGKRZSA-N 1 0 280.324 1.942 20 5 CDBDRO CC(C)[N@H+](C)CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000049401758 345989455 /nfs/dbraw/zinc/98/94/55/345989455.db2.gz GALMADGXSCRAML-UHFFFAOYSA-N 1 0 265.313 1.551 20 5 CDBDRO CC1(C)C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000088138760 346012150 /nfs/dbraw/zinc/01/21/50/346012150.db2.gz NPYGQUHYTPQPRT-UHFFFAOYSA-N 1 0 281.287 1.558 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[NH2+]2)c1 ZINC000088147688 346013564 /nfs/dbraw/zinc/01/35/64/346013564.db2.gz IQOGHNFPCAQNFD-LLVKDONJSA-N 1 0 277.324 1.775 20 5 CDBDRO CC1(C)CC(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000128354941 187365268 /nfs/dbraw/zinc/36/52/68/187365268.db2.gz UJKCNTDGJHMLIN-UHFFFAOYSA-N 1 0 295.343 1.357 20 5 CDBDRO C[C@@H](CNc1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000057838203 347101508 /nfs/dbraw/zinc/10/15/08/347101508.db2.gz QXWQQFICNMJSQK-LBPRGKRZSA-N 1 0 278.356 1.643 20 5 CDBDRO Cc1noc(C)c1[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000611409054 346778629 /nfs/dbraw/zinc/77/86/29/346778629.db2.gz HMDYCWQIQSCXEC-QMMMGPOBSA-N 1 0 279.300 1.747 20 5 CDBDRO C[N@H+](CCNC(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000063116644 347463909 /nfs/dbraw/zinc/46/39/09/347463909.db2.gz LSQMHPSRTYBGIK-UHFFFAOYSA-N 1 0 269.326 1.480 20 5 CDBDRO CC1CC[NH+](CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000054374164 347821460 /nfs/dbraw/zinc/82/14/60/347821460.db2.gz ORMQVVVEUHNMTI-UHFFFAOYSA-N 1 0 294.355 1.775 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000614712424 348200301 /nfs/dbraw/zinc/20/03/01/348200301.db2.gz BUSJAYYPSAIRTG-CHWSQXEVSA-N 1 0 295.314 1.946 20 5 CDBDRO CO[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273421780 192145456 /nfs/dbraw/zinc/14/54/56/192145456.db2.gz ZAMKFAZQBRJVNL-RYUDHWBXSA-N 1 0 296.323 1.055 20 5 CDBDRO CCOCC[C@@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000564853397 293433142 /nfs/dbraw/zinc/43/31/42/293433142.db2.gz BVQGNUOSLUKIID-CYBMUJFWSA-N 1 0 282.340 1.514 20 5 CDBDRO COCC[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000041423034 348707106 /nfs/dbraw/zinc/70/71/06/348707106.db2.gz ITWYBFXGDCBIIV-UHFFFAOYSA-N 1 0 295.339 1.293 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000066137350 348974425 /nfs/dbraw/zinc/97/44/25/348974425.db2.gz PPESNMKYJFNQKT-GFCCVEGCSA-N 1 0 293.367 1.984 20 5 CDBDRO C[N@H+](CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000067701854 349033965 /nfs/dbraw/zinc/03/39/65/349033965.db2.gz LMIYRPSPYFDRJZ-VMPITWQZSA-N 1 0 289.335 1.818 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000105567802 186064022 /nfs/dbraw/zinc/06/40/22/186064022.db2.gz VVEVHCSDVQHDQY-LLVKDONJSA-N 1 0 277.324 1.205 20 5 CDBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000105822113 186074014 /nfs/dbraw/zinc/07/40/14/186074014.db2.gz JEPNYSKEITYARJ-CHWSQXEVSA-N 1 0 293.367 1.482 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000109849875 186277246 /nfs/dbraw/zinc/27/72/46/186277246.db2.gz IKRZLUYVIJZYGJ-SECBINFHSA-N 1 0 297.742 1.930 20 5 CDBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000110646427 186308695 /nfs/dbraw/zinc/30/86/95/186308695.db2.gz TUGCHEXAFDHYEP-SNVBAGLBSA-N 1 0 277.324 1.794 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000109804501 186273662 /nfs/dbraw/zinc/27/36/62/186273662.db2.gz REKMSIMWFCEBRU-AWEZNQCLSA-N 1 0 293.367 2.000 20 5 CDBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000454311871 252341406 /nfs/dbraw/zinc/34/14/06/252341406.db2.gz HAFWCNZSIZJXLS-UHFFFAOYSA-N 1 0 282.344 1.773 20 5 CDBDRO CC(=O)c1ccc(N(C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000111138273 186357552 /nfs/dbraw/zinc/35/75/52/186357552.db2.gz XZYXQXXCTKXLJI-UHFFFAOYSA-N 1 0 265.313 1.795 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000080388845 351064298 /nfs/dbraw/zinc/06/42/98/351064298.db2.gz SVSPOFYMLPOBCI-UHFFFAOYSA-N 1 0 251.286 1.228 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000124781672 351371306 /nfs/dbraw/zinc/37/13/06/351371306.db2.gz YXFGOSPXTWKSKB-IONNQARKSA-N 1 0 269.326 1.608 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000122484012 187034118 /nfs/dbraw/zinc/03/41/18/187034118.db2.gz IKSOVIIOKKOMEL-BDAKNGLRSA-N 1 0 281.337 1.623 20 5 CDBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000292047211 198144516 /nfs/dbraw/zinc/14/45/16/198144516.db2.gz BGSODHMODLFXRM-UHFFFAOYSA-N 1 0 250.298 1.942 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000135222849 187808710 /nfs/dbraw/zinc/80/87/10/187808710.db2.gz BPYHNLCHQUTKRL-QMMMGPOBSA-N 1 0 267.260 1.155 20 5 CDBDRO C[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000278623637 358475391 /nfs/dbraw/zinc/47/53/91/358475391.db2.gz CJQWVKXCZAWWOX-MJVIPROJSA-N 1 0 280.324 1.785 20 5 CDBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1N)C1CC[NH+](C)CC1 ZINC000157269093 188307328 /nfs/dbraw/zinc/30/73/28/188307328.db2.gz PQZLQLVDIUCGKF-UHFFFAOYSA-N 1 0 292.339 1.343 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000158215238 188364231 /nfs/dbraw/zinc/36/42/31/188364231.db2.gz XSTLFGRQMLMCCU-LLVKDONJSA-N 1 0 293.323 1.313 20 5 CDBDRO C[C@H]([NH2+]CC(=O)N1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000271712190 191286992 /nfs/dbraw/zinc/28/69/92/191286992.db2.gz WAMRPLUZCUVVOZ-JTQLQIEISA-N 1 0 263.297 1.478 20 5 CDBDRO C[C@@H]([NH2+]C1CC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000295235280 199416459 /nfs/dbraw/zinc/41/64/59/199416459.db2.gz SFJYEGQOHMCMIA-SNVBAGLBSA-N 1 0 277.324 1.394 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000163251396 356110920 /nfs/dbraw/zinc/11/09/20/356110920.db2.gz RMPQDPDNFNSZKH-WCQYABFASA-N 1 0 263.341 1.806 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000164881394 356304602 /nfs/dbraw/zinc/30/46/02/356304602.db2.gz ZXYSMKOEJQXTSC-SECBINFHSA-N 1 0 267.285 1.071 20 5 CDBDRO CC(C)(CN1CCOCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000308637729 356329999 /nfs/dbraw/zinc/32/99/99/356329999.db2.gz BIABRUHAZRWCFJ-UHFFFAOYSA-N 1 0 293.367 1.795 20 5 CDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ncc([N+](=O)[O-])cn1 ZINC000273637834 192240287 /nfs/dbraw/zinc/24/02/87/192240287.db2.gz RLDSCKADRWKGKA-SNVBAGLBSA-N 1 0 265.317 1.163 20 5 CDBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000235323926 140234815 /nfs/dbraw/zinc/23/48/15/140234815.db2.gz MYLXZJPSRFLRES-LDYMZIIASA-N 1 0 264.285 1.406 20 5 CDBDRO C[C@@H]1[NH2+]CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000379501978 357167950 /nfs/dbraw/zinc/16/79/50/357167950.db2.gz XDFYYPHTWIGBMQ-XPOJSHTGSA-N 1 0 289.335 1.817 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261595993 357246065 /nfs/dbraw/zinc/24/60/65/357246065.db2.gz ACGPJXGFSSXKLY-SDDRHHMPSA-N 1 0 289.335 1.713 20 5 CDBDRO C[S@@](=O)C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000380260797 357433086 /nfs/dbraw/zinc/43/30/86/357433086.db2.gz UYEQQEPKJRBEGT-GOSISDBHSA-N 1 0 268.338 1.596 20 5 CDBDRO C[C@H]([NH2+]C1CCN(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283933705 357621246 /nfs/dbraw/zinc/62/12/46/357621246.db2.gz FCPZAIVYBBQINR-JTQLQIEISA-N 1 0 278.356 1.922 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC2=CC[NH2+]CC2)c1 ZINC000186361069 357642563 /nfs/dbraw/zinc/64/25/63/357642563.db2.gz HOUSHLXATVHHQX-UHFFFAOYSA-N 1 0 291.307 1.253 20 5 CDBDRO C[C@@H](O)C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000361016506 357773663 /nfs/dbraw/zinc/77/36/63/357773663.db2.gz IMULDOJRGPWTPR-JPVGGKMYSA-N 1 0 250.298 1.921 20 5 CDBDRO CC[NH2+]CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135224276 357798565 /nfs/dbraw/zinc/79/85/65/357798565.db2.gz SOVVFUPLFZOXBY-UHFFFAOYSA-N 1 0 255.249 1.073 20 5 CDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135239312 357801901 /nfs/dbraw/zinc/80/19/01/357801901.db2.gz GZZJOABVXWOLEF-AWEZNQCLSA-N 1 0 279.340 1.627 20 5 CDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000408122511 358164338 /nfs/dbraw/zinc/16/43/38/358164338.db2.gz XWUFSEWGOHXAAA-ONGXEEELSA-N 1 0 293.327 1.017 20 5 CDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](C)OC ZINC000361572437 358325692 /nfs/dbraw/zinc/32/56/92/358325692.db2.gz DLESSXPVVRRSGJ-SNVBAGLBSA-N 1 0 256.306 1.148 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1COCC[NH2+]1 ZINC000236057103 358539479 /nfs/dbraw/zinc/53/94/79/358539479.db2.gz LOEXIEPDFSMNML-QMMMGPOBSA-N 1 0 272.692 1.044 20 5 CDBDRO Cc1c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000185123979 358776099 /nfs/dbraw/zinc/77/60/99/358776099.db2.gz IVQNYPOOGAOARB-CYZMBNFOSA-N 1 0 289.335 1.713 20 5 CDBDRO COc1ccc(CN2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000051562686 358899289 /nfs/dbraw/zinc/89/92/89/358899289.db2.gz ZIZZHIKIQATBKQ-JTQLQIEISA-N 1 0 279.296 1.053 20 5 CDBDRO C[C@@H](O)C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000291250952 358901623 /nfs/dbraw/zinc/90/16/23/358901623.db2.gz NWINCQYCDWXZEZ-MRVPVSSYSA-N 1 0 265.269 1.549 20 5 CDBDRO COc1ccc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000234914418 358990146 /nfs/dbraw/zinc/99/01/46/358990146.db2.gz IEDSAKKCPWNZSF-ONGXEEELSA-N 1 0 293.323 1.474 20 5 CDBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccncc1F ZINC000338357429 359118378 /nfs/dbraw/zinc/11/83/78/359118378.db2.gz QAHGYCGZSHLGTA-SECBINFHSA-N 1 0 279.275 1.676 20 5 CDBDRO [NH3+]CC1(NC(=O)c2ccc([N+](=O)[O-])s2)CCCC1 ZINC000111831755 359266983 /nfs/dbraw/zinc/26/69/83/359266983.db2.gz VRQZPAPOZHVAMC-UHFFFAOYSA-N 1 0 269.326 1.658 20 5 CDBDRO Cc1ccc(CN2CC[C@@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000339001874 359269028 /nfs/dbraw/zinc/26/90/28/359269028.db2.gz ZPPMBZIXVKDNBI-ZDUSSCGKSA-N 1 0 268.288 1.810 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC[C@@H]21 ZINC000408338065 359467631 /nfs/dbraw/zinc/46/76/31/359467631.db2.gz ISDLTZGAKPCEGT-MFKMUULPSA-N 1 0 292.339 1.479 20 5 CDBDRO CN(CCn1ccc([N+](=O)[O-])n1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375762677 359585392 /nfs/dbraw/zinc/58/53/92/359585392.db2.gz KOGIXCIOSNTCGH-FUNVUKJBSA-N 1 0 293.371 1.348 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000571771365 359611701 /nfs/dbraw/zinc/61/17/01/359611701.db2.gz DCXYZWWWATTYOH-NSHDSACASA-N 1 0 278.312 1.729 20 5 CDBDRO Cc1nc(NCC2([NH+](C)C)CCOCC2)ncc1[N+](=O)[O-] ZINC000297147245 200096995 /nfs/dbraw/zinc/09/69/95/200096995.db2.gz OCCXGOURYMENRZ-UHFFFAOYSA-N 1 0 295.343 1.216 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000149409551 283469680 /nfs/dbraw/zinc/46/96/80/283469680.db2.gz KYXDDLDGOPQGES-QMMMGPOBSA-N 1 0 270.720 1.818 20 5 CDBDRO Cc1nc(N[C@H]2C[N@H+](C3CC3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000297332688 200152259 /nfs/dbraw/zinc/15/22/59/200152259.db2.gz AHUZFPIITIZRAM-KCJUWKMLSA-N 1 0 277.328 1.588 20 5 CDBDRO COc1ccc(OCC[N@H+](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000173525588 237346324 /nfs/dbraw/zinc/34/63/24/237346324.db2.gz IAVVYNNDYRUPCX-UHFFFAOYSA-N 1 0 296.323 1.439 20 5 CDBDRO CC[NH+](CC)CCOCCNc1c([N+](=O)[O-])c(C)nn1C ZINC000347848153 359861584 /nfs/dbraw/zinc/86/15/84/359861584.db2.gz AEHUTHFGRMAZAE-UHFFFAOYSA-N 1 0 299.375 1.407 20 5 CDBDRO CCOc1ccc(C(=O)N(C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000237079715 363707347 /nfs/dbraw/zinc/70/73/47/363707347.db2.gz MCAIVQPHDJNSFI-SECBINFHSA-N 1 0 281.312 1.413 20 5 CDBDRO COc1cc(C[NH2+]CCC[C@@H](C)CO)c([N+](=O)[O-])cc1O ZINC000270238909 359935947 /nfs/dbraw/zinc/93/59/47/359935947.db2.gz CEZAQMBAGSPVFU-SNVBAGLBSA-N 1 0 298.339 1.807 20 5 CDBDRO COc1ccc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000159462019 359945130 /nfs/dbraw/zinc/94/51/30/359945130.db2.gz CWPIQSCKCZWOPY-MFKMUULPSA-N 1 0 280.324 1.806 20 5 CDBDRO O=[N+]([O-])c1cnc2c(c1)CN(C[C@@H]1CCCC[C@H]1O)CC2 ZINC000572164316 359949286 /nfs/dbraw/zinc/94/92/86/359949286.db2.gz ZTODOXKWBVINPA-XHDPSFHLSA-N 1 0 291.351 1.899 20 5 CDBDRO C[NH+](C)CCCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000298082508 200329332 /nfs/dbraw/zinc/32/93/32/200329332.db2.gz LOYYAXOOMQNTBV-UHFFFAOYSA-N 1 0 290.323 1.758 20 5 CDBDRO Cc1cnc(N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000277878903 366675318 /nfs/dbraw/zinc/67/53/18/366675318.db2.gz VXKQJGUYIAHHII-VXGBXAGGSA-N 1 0 294.355 1.190 20 5 CDBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1csc([N+](=O)[O-])c1 ZINC000166668362 360210450 /nfs/dbraw/zinc/21/04/50/360210450.db2.gz AUXULDCZRQLYEI-SECBINFHSA-N 1 0 269.326 1.528 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[NH+](C)C)c1 ZINC000176388134 360266419 /nfs/dbraw/zinc/26/64/19/360266419.db2.gz WZPOKPBBWFALEM-UHFFFAOYSA-N 1 0 265.313 1.537 20 5 CDBDRO Cc1cnc(N[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000382413240 360294273 /nfs/dbraw/zinc/29/42/73/360294273.db2.gz FUVSFRXHXUUQGU-ZJUUUORDSA-N 1 0 250.302 1.980 20 5 CDBDRO C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1C ZINC000177870897 189075113 /nfs/dbraw/zinc/07/51/13/189075113.db2.gz HDCCITJMKFEXKL-NXEZZACHSA-N 1 0 277.324 1.924 20 5 CDBDRO C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000136048821 360675356 /nfs/dbraw/zinc/67/53/56/360675356.db2.gz IJDDNTZBVCXJJE-GHMZBOCLSA-N 1 0 277.324 1.346 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000168400780 361180696 /nfs/dbraw/zinc/18/06/96/361180696.db2.gz LSBOADPEWUXZLL-GHMZBOCLSA-N 1 0 280.324 1.806 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000382421622 361350738 /nfs/dbraw/zinc/35/07/38/361350738.db2.gz KIGJCVYWZMYHIX-LDFZLWBNSA-N 1 0 289.335 1.852 20 5 CDBDRO C[C@H](CNc1ccc(N)cc1[N+](=O)[O-])C[NH+](C)C ZINC000291807880 239241813 /nfs/dbraw/zinc/24/18/13/239241813.db2.gz JYDWURWELVSZNK-SECBINFHSA-N 1 0 252.318 1.787 20 5 CDBDRO C[C@]1(CO)CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000545398693 364073658 /nfs/dbraw/zinc/07/36/58/364073658.db2.gz ZFTVGOWAKNPZAO-CYBMUJFWSA-N 1 0 250.298 1.942 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CO)[C@H]2CCCOC2)cc1 ZINC000411996570 239898015 /nfs/dbraw/zinc/89/80/15/239898015.db2.gz SCWPRFADIHGXIX-DZGCQCFKSA-N 1 0 294.351 1.514 20 5 CDBDRO CC[C@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365520668 364728687 /nfs/dbraw/zinc/72/86/87/364728687.db2.gz YSVYFYKWMRDNCV-NSHDSACASA-N 1 0 268.317 1.199 20 5 CDBDRO C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H](CO)O1 ZINC000249510535 364787513 /nfs/dbraw/zinc/78/75/13/364787513.db2.gz ZTZYHUDFPQLRJR-FZMZJTMJSA-N 1 0 296.323 1.055 20 5 CDBDRO C[C@@]1(CO)CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000546104637 365203937 /nfs/dbraw/zinc/20/39/37/365203937.db2.gz MFJHBHRLOZWIER-AWEZNQCLSA-N 1 0 280.324 1.820 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+](CCO)C2CCC2)cc1 ZINC000275791070 193128391 /nfs/dbraw/zinc/12/83/91/193128391.db2.gz DSQHDJZLVACGBY-UHFFFAOYSA-N 1 0 280.324 1.820 20 5 CDBDRO CC[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000270944240 366947503 /nfs/dbraw/zinc/94/75/03/366947503.db2.gz RXUNTRXKNSYZPN-DDTOSNHZSA-N 1 0 280.324 1.331 20 5 CDBDRO CO[C@@H](C[NH3+])CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000232113913 366947811 /nfs/dbraw/zinc/94/78/11/366947811.db2.gz HWZFWXSXVGMKLP-SNVBAGLBSA-N 1 0 267.285 1.206 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CCC[NH3+] ZINC000414649729 241300558 /nfs/dbraw/zinc/30/05/58/241300558.db2.gz CJWDCZHFPFYLJY-SECBINFHSA-N 1 0 296.327 1.852 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000414657361 241306061 /nfs/dbraw/zinc/30/60/61/241306061.db2.gz ONFXRCVGWSGLTD-MRVPVSSYSA-N 1 0 282.300 1.462 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000414664094 241309369 /nfs/dbraw/zinc/30/93/69/241309369.db2.gz SZBPZHKUHRGHAR-SNVBAGLBSA-N 1 0 278.312 1.729 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415297877 241638398 /nfs/dbraw/zinc/63/83/98/241638398.db2.gz OKYPNDKJDHBPIR-IWIIMEHWSA-N 1 0 290.323 1.551 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415627331 241731519 /nfs/dbraw/zinc/73/15/19/241731519.db2.gz BJACZUHGPQHWGU-UFBFGSQYSA-N 1 0 296.302 1.983 20 5 CDBDRO Cc1nc(N2CC[C@H]3CC[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000272258578 367570318 /nfs/dbraw/zinc/57/03/18/367570318.db2.gz ZPZYGOKGKHWGQD-DGCLKSJQSA-N 1 0 276.340 1.829 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417226581 242367341 /nfs/dbraw/zinc/36/73/41/242367341.db2.gz KVUXAWQKIGYZLP-NSHDSACASA-N 1 0 280.328 1.174 20 5 CDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418383253 243009706 /nfs/dbraw/zinc/00/97/06/243009706.db2.gz NHBPCMYNZJOEQM-GFCCVEGCSA-N 1 0 292.339 1.141 20 5 CDBDRO C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCCC1 ZINC000047297921 412769560 /nfs/dbraw/zinc/76/95/60/412769560.db2.gz NIQUDOVSXCLPFR-VXGBXAGGSA-N 1 0 283.372 1.422 20 5 CDBDRO CCC[N@H+](CC(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441272669 368887534 /nfs/dbraw/zinc/88/75/34/368887534.db2.gz AOYDWPCPNRDFSF-CYBMUJFWSA-N 1 0 284.360 1.520 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000420239986 243965286 /nfs/dbraw/zinc/96/52/86/243965286.db2.gz PSVLBVCVIUMQNR-RKDXNWHRSA-N 1 0 294.311 1.458 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H](C)CC[NH3+] ZINC000420229301 243949378 /nfs/dbraw/zinc/94/93/78/243949378.db2.gz ULPSRXTWICUFJS-SECBINFHSA-N 1 0 281.312 1.839 20 5 CDBDRO Cc1nc(NC[C@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420271426 244005233 /nfs/dbraw/zinc/00/52/33/244005233.db2.gz CPHPEZWMBGZDRU-WDEREUQCSA-N 1 0 264.329 1.650 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000420382711 244179634 /nfs/dbraw/zinc/17/96/34/244179634.db2.gz ZYCRCCMGEYHTSG-JMSVASOKSA-N 1 0 293.367 1.950 20 5 CDBDRO C[C@@H](C[NH3+])C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414876948 370965600 /nfs/dbraw/zinc/96/56/00/370965600.db2.gz MAJMTBIBEIWKEI-QWRGUYRKSA-N 1 0 294.355 1.496 20 5 CDBDRO O=[N+]([O-])c1cc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)cs1 ZINC000385237776 370129626 /nfs/dbraw/zinc/12/96/26/370129626.db2.gz ABJRHYOBXITVST-ZJUUUORDSA-N 1 0 253.327 1.450 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000226433189 370600716 /nfs/dbraw/zinc/60/07/16/370600716.db2.gz WLKIUMITURYIFU-MJVIPROJSA-N 1 0 279.340 1.704 20 5 CDBDRO CN(CC(C)(C)C[NH3+])C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000422892359 245377270 /nfs/dbraw/zinc/37/72/70/245377270.db2.gz MWKRZYILYBKEGY-UHFFFAOYSA-N 1 0 280.328 1.234 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000356765595 373055628 /nfs/dbraw/zinc/05/56/28/373055628.db2.gz KXJKXYALYFUWFT-JTQLQIEISA-N 1 0 282.344 1.392 20 5 CDBDRO Cc1cc(=O)n(C[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000187694699 373222259 /nfs/dbraw/zinc/22/22/59/373222259.db2.gz WCNHXMDMFJKIOL-SNVBAGLBSA-N 1 0 251.286 1.017 20 5 CDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[NH+](C)C ZINC000298364629 373514247 /nfs/dbraw/zinc/51/42/47/373514247.db2.gz RCYRFAOHNAPWIG-MRVPVSSYSA-N 1 0 296.283 1.183 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(O)CC2)c1 ZINC000269677491 373674128 /nfs/dbraw/zinc/67/41/28/373674128.db2.gz WSRBFPPTXLRTRG-CYBMUJFWSA-N 1 0 266.297 1.085 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000091555695 374035785 /nfs/dbraw/zinc/03/57/85/374035785.db2.gz ZNYYOVUKBWESFE-KOLCDFICSA-N 1 0 281.360 1.920 20 5 CDBDRO CC[N@H+](CCCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000266581976 374086045 /nfs/dbraw/zinc/08/60/45/374086045.db2.gz RLCDAVWRQBHYBR-UHFFFAOYSA-N 1 0 268.313 1.678 20 5 CDBDRO C[C@H](NC(=O)NC[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000418229536 374256721 /nfs/dbraw/zinc/25/67/21/374256721.db2.gz HIIRLOFDMLQHJM-QWRGUYRKSA-N 1 0 292.339 1.565 20 5 CDBDRO [NH3+]CCCCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000311657722 374262167 /nfs/dbraw/zinc/26/21/67/374262167.db2.gz FBUQPCBOZISDBE-FPLPWBNLSA-N 1 0 263.297 1.463 20 5 CDBDRO CO[C@H](C[NH3+])C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423729776 374394540 /nfs/dbraw/zinc/39/45/40/374394540.db2.gz VVGGETPNQVVJTO-CYBMUJFWSA-N 1 0 293.323 1.060 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@]12C[C@H]1CC[NH2+]2 ZINC000423844030 246137910 /nfs/dbraw/zinc/13/79/10/246137910.db2.gz LJLSVWFSXRNISQ-RNCFNFMXSA-N 1 0 295.726 1.616 20 5 CDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000356882710 374419339 /nfs/dbraw/zinc/41/93/39/374419339.db2.gz PTENCNJWVOAYHV-VXGBXAGGSA-N 1 0 291.351 1.688 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000070146230 374650318 /nfs/dbraw/zinc/65/03/18/374650318.db2.gz RWQGRCBDAYMJJF-SKDRFNHKSA-N 1 0 277.324 1.713 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000070172555 374654351 /nfs/dbraw/zinc/65/43/51/374654351.db2.gz RIUJFSLRZFZNIV-VHSXEESVSA-N 1 0 280.328 1.133 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070174854 374656299 /nfs/dbraw/zinc/65/62/99/374656299.db2.gz CZKOTEREMATQRE-GHMZBOCLSA-N 1 0 264.329 1.862 20 5 CDBDRO CO[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1OC ZINC000276845517 374753362 /nfs/dbraw/zinc/75/33/62/374753362.db2.gz IHRWZVLTEWOMRV-OKILXGFUSA-N 1 0 280.324 1.749 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](CO)[C@@H]2CCCO2)cc1 ZINC000447906417 374722012 /nfs/dbraw/zinc/72/20/12/374722012.db2.gz OSFNCOQZYDNFHF-KGLIPLIRSA-N 1 0 296.323 1.103 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)OCCO ZINC000449327760 374799275 /nfs/dbraw/zinc/79/92/75/374799275.db2.gz GAJAUBHKKBTLRD-LBPRGKRZSA-N 1 0 296.367 1.903 20 5 CDBDRO CN(C[C@@H]1CC[NH2+]C1)c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC000095071250 374863519 /nfs/dbraw/zinc/86/35/19/374863519.db2.gz KONXBQMYTAHYPP-SNVBAGLBSA-N 1 0 287.323 1.584 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000331408768 374950647 /nfs/dbraw/zinc/95/06/47/374950647.db2.gz QWYKQXNTIARGEE-LBPRGKRZSA-N 1 0 289.335 1.490 20 5 CDBDRO C[N@H+](CCCCCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000279760052 374957819 /nfs/dbraw/zinc/95/78/19/374957819.db2.gz RISNFFVCYKATMP-AWEZNQCLSA-N 1 0 282.340 1.723 20 5 CDBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000280300778 374990375 /nfs/dbraw/zinc/99/03/75/374990375.db2.gz OXVPZNHJUROANI-WFASDCNBSA-N 1 0 292.335 1.975 20 5 CDBDRO Cc1c(C(=O)NCCCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000299517320 375178165 /nfs/dbraw/zinc/17/81/65/375178165.db2.gz WTUHVJOMTPZYKY-UHFFFAOYSA-N 1 0 279.340 1.975 20 5 CDBDRO COCCOCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283693807 375121874 /nfs/dbraw/zinc/12/18/74/375121874.db2.gz AOASMUXRUUWVBX-SNVBAGLBSA-N 1 0 283.328 1.491 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351744732 375325036 /nfs/dbraw/zinc/32/50/36/375325036.db2.gz WWUDYSAXJKXWSE-QMMMGPOBSA-N 1 0 284.291 1.806 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000131707492 375323737 /nfs/dbraw/zinc/32/37/37/375323737.db2.gz RLUARGDDCSJJHK-MNOVXSKESA-N 1 0 292.339 1.202 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000351938039 375342946 /nfs/dbraw/zinc/34/29/46/375342946.db2.gz WTNIJYUSUPFNAK-QWHCGFSZSA-N 1 0 293.367 1.998 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000131869312 375369652 /nfs/dbraw/zinc/36/96/52/375369652.db2.gz ABELFTNHHOOCAK-JQWIXIFHSA-N 1 0 277.324 1.333 20 5 CDBDRO COC[C@H](O)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000304253176 375419440 /nfs/dbraw/zinc/41/94/40/375419440.db2.gz YKTYIZCEAZZMFZ-GFCCVEGCSA-N 1 0 282.340 1.815 20 5 CDBDRO CC[N@@H+]1CC[C@H](NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000493331041 375443492 /nfs/dbraw/zinc/44/34/92/375443492.db2.gz FZYBADACXRTDNA-FWWRYZNZSA-N 1 0 289.335 1.818 20 5 CDBDRO CCOC[C@@H](O)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344818116 375526884 /nfs/dbraw/zinc/52/68/84/375526884.db2.gz FCPQSPJMOPEZMB-BLMSOEDDSA-N 1 0 294.351 1.985 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CO)C2CCCC2)c1 ZINC000289482509 197367815 /nfs/dbraw/zinc/36/78/15/197367815.db2.gz IYCFTYFMWCLOAY-HUUCEWRRSA-N 1 0 294.351 1.769 20 5 CDBDRO Cc1nc(N2C[C@@H](C[NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000228084590 375688304 /nfs/dbraw/zinc/68/83/04/375688304.db2.gz VZVYWZLMCKFJSK-PSASIEDQSA-N 1 0 250.302 1.472 20 5 CDBDRO CC[C@](C)(NCc1cc([N+](=O)[O-])ccc1OC)C(N)=O ZINC000133189032 375716634 /nfs/dbraw/zinc/71/66/34/375716634.db2.gz GYIHAJISTMQCPH-ZDUSSCGKSA-N 1 0 281.312 1.347 20 5 CDBDRO [NH3+]CC[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000307830528 375803114 /nfs/dbraw/zinc/80/31/14/375803114.db2.gz ZUDCSVIRWXHNSN-SECBINFHSA-N 1 0 291.229 1.604 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCCS2(=O)=O)cc1 ZINC000134081756 375902760 /nfs/dbraw/zinc/90/27/60/375902760.db2.gz HLKLAMIKXJCZQR-ZDUSSCGKSA-N 1 0 298.364 1.304 20 5 CDBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2COCCO2)cccc1[N+](=O)[O-] ZINC000358224652 375957492 /nfs/dbraw/zinc/95/74/92/375957492.db2.gz RDQGSJODOQMZHM-VXGBXAGGSA-N 1 0 280.324 1.969 20 5 CDBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000059391587 375933785 /nfs/dbraw/zinc/93/37/85/375933785.db2.gz HKCBCNKFZJLEDI-AWEZNQCLSA-N 1 0 291.351 1.690 20 5 CDBDRO [NH3+]C[C@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000357973469 375943277 /nfs/dbraw/zinc/94/32/77/375943277.db2.gz WZLSUEDFOCMHDV-DXTPNHAXSA-N 1 0 277.324 1.268 20 5 CDBDRO O=C1CCC[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])N1 ZINC000433194109 248007139 /nfs/dbraw/zinc/00/71/39/248007139.db2.gz UTHHAVWRUXQISJ-LLVKDONJSA-N 1 0 263.297 1.353 20 5 CDBDRO COc1cc(C[NH2+]C[C@@](C)(O)C(C)C)c([N+](=O)[O-])cc1O ZINC000171842607 377095846 /nfs/dbraw/zinc/09/58/46/377095846.db2.gz FBVMUEPSCWGKBJ-CQSZACIVSA-N 1 0 298.339 1.806 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000172171111 377322800 /nfs/dbraw/zinc/32/28/00/377322800.db2.gz GEDZMVZAAHJYKD-LLVKDONJSA-N 1 0 292.339 1.322 20 5 CDBDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc([N+](=O)[O-])cc1 ZINC000294295247 377393634 /nfs/dbraw/zinc/39/36/34/377393634.db2.gz NAOAHADTSKUEOK-HONMWMINSA-N 1 0 280.324 1.785 20 5 CDBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](OCCO)C2)c1 ZINC000172296681 377432011 /nfs/dbraw/zinc/43/20/11/377432011.db2.gz AOUXRIIYFGITPY-AWEZNQCLSA-N 1 0 280.324 1.568 20 5 CDBDRO CCN(C)C(=O)CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000130668122 377623983 /nfs/dbraw/zinc/62/39/83/377623983.db2.gz WZRHKEWNGAELEJ-UHFFFAOYSA-N 1 0 291.351 1.821 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCCC[NH+]1CCCC1 ZINC000172970073 377792919 /nfs/dbraw/zinc/79/29/19/377792919.db2.gz YHOQMIKTKUFTNN-UHFFFAOYSA-N 1 0 291.351 1.739 20 5 CDBDRO CCOC[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173439339 378399310 /nfs/dbraw/zinc/39/93/10/378399310.db2.gz BVXIWJNCPLVTRT-GXFFZTMASA-N 1 0 268.313 1.643 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3ncc[nH]3)CC2)c1 ZINC000266908665 378604480 /nfs/dbraw/zinc/60/44/80/378604480.db2.gz CITDMONDHQYQRM-UHFFFAOYSA-N 1 0 290.327 1.394 20 5 CDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](CO)C1 ZINC000266919989 378673009 /nfs/dbraw/zinc/67/30/09/378673009.db2.gz LPHYXYGFJLRAPX-GHMZBOCLSA-N 1 0 250.298 1.970 20 5 CDBDRO CC[N@H+](CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C(C)C ZINC000445190163 250211333 /nfs/dbraw/zinc/21/13/33/250211333.db2.gz PMVGIWHVVABJKM-UHFFFAOYSA-N 1 0 296.327 1.156 20 5 CDBDRO CC(C)N(CC(N)=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042428674 379592786 /nfs/dbraw/zinc/59/27/86/379592786.db2.gz FYGGHSLMWFWKSK-UHFFFAOYSA-N 1 0 285.731 1.944 20 5 CDBDRO CO[C@]1(C)C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000174882568 379605758 /nfs/dbraw/zinc/60/57/58/379605758.db2.gz LOTYAADTCWECRP-GXTWGEPZSA-N 1 0 296.371 1.927 20 5 CDBDRO CN1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000042565031 379611906 /nfs/dbraw/zinc/61/19/06/379611906.db2.gz UEQLWASTDDJDAK-UHFFFAOYSA-N 1 0 255.299 1.044 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449638241 250944456 /nfs/dbraw/zinc/94/44/56/250944456.db2.gz JUQFOYICYCROLG-AAEUAGOBSA-N 1 0 291.351 1.771 20 5 CDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@H](O)C1 ZINC000449756749 251002746 /nfs/dbraw/zinc/00/27/46/251002746.db2.gz WQPGIGAECHEKQC-XWIASGKRSA-N 1 0 293.323 1.425 20 5 CDBDRO CC[NH+](CC)C[C@H](C)Nc1ncc([N+](=O)[O-])c(C)n1 ZINC000450278987 251206079 /nfs/dbraw/zinc/20/60/79/251206079.db2.gz RYMVJCDXTFCUDJ-VIFPVBQESA-N 1 0 267.333 1.835 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000382447597 412954619 /nfs/dbraw/zinc/95/46/19/412954619.db2.gz KLOBXMSCMRQWAH-NXEZZACHSA-N 1 0 299.352 1.001 20 5 CDBDRO C[NH+](C)CC1(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000281003572 195065565 /nfs/dbraw/zinc/06/55/65/195065565.db2.gz DLNGFIRBNMTJDA-UHFFFAOYSA-N 1 0 291.351 1.738 20 5 CDBDRO C[NH+](C)C/C=C/C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000492303476 253194220 /nfs/dbraw/zinc/19/42/20/253194220.db2.gz GHUMQAVRLXOPGQ-ONEGZZNKSA-N 1 0 289.295 1.527 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@H]1CCC[NH2+]C1)CC2 ZINC000346844072 285142663 /nfs/dbraw/zinc/14/26/63/285142663.db2.gz KRILGBPBRBJGRY-LBPRGKRZSA-N 1 0 275.352 1.953 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N3C[C@H]4C[NH2+]C[C@H]4C3)c21 ZINC000420236309 285159368 /nfs/dbraw/zinc/15/93/68/285159368.db2.gz DLXTVEZSPUMTAM-AOOOYVTPSA-N 1 0 285.307 1.194 20 5 CDBDRO CSCCC[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000281393952 195223900 /nfs/dbraw/zinc/22/39/00/195223900.db2.gz NCCHESYGEWZRJZ-UHFFFAOYSA-N 1 0 258.347 1.476 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[C@H]1[NH3+] ZINC000094339237 184783594 /nfs/dbraw/zinc/78/35/94/184783594.db2.gz CKICDDRJYHBVOM-HTQZYQBOSA-N 1 0 269.326 1.466 20 5 CDBDRO CO[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000281632139 195315712 /nfs/dbraw/zinc/31/57/12/195315712.db2.gz IJMISLUKHYVSLH-MNOVXSKESA-N 1 0 268.317 1.291 20 5 CDBDRO C[C@H]1C[NH2+]CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000262052293 390495722 /nfs/dbraw/zinc/49/57/22/390495722.db2.gz VCKYJYFPTAQPRV-ZETCQYMHSA-N 1 0 279.325 1.398 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000451425438 390619466 /nfs/dbraw/zinc/61/94/66/390619466.db2.gz UEBQIIFQGOTRLG-MCIONIFRSA-N 1 0 294.355 1.417 20 5 CDBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000135228733 390621453 /nfs/dbraw/zinc/62/14/53/390621453.db2.gz JRQKSNOXEUAPCQ-JTQLQIEISA-N 1 0 295.314 1.853 20 5 CDBDRO CO[C@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000451501939 390628743 /nfs/dbraw/zinc/62/87/43/390628743.db2.gz OZUBRFCGLXWLAZ-NEPJUHHUSA-N 1 0 295.339 1.160 20 5 CDBDRO NC(=O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544842 390630397 /nfs/dbraw/zinc/63/03/97/390630397.db2.gz FYFSZXAVOAZXLL-LLVKDONJSA-N 1 0 263.297 1.260 20 5 CDBDRO CC1(C)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000396073774 390678613 /nfs/dbraw/zinc/67/86/13/390678613.db2.gz QSJOVBBMEIWQIO-UHFFFAOYSA-N 1 0 278.312 1.811 20 5 CDBDRO CO[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H]1O ZINC000395323592 390870536 /nfs/dbraw/zinc/87/05/36/390870536.db2.gz NWUGMZHDXGUEEW-CHWSQXEVSA-N 1 0 266.297 1.095 20 5 CDBDRO Cc1cnccc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000337344328 390810105 /nfs/dbraw/zinc/81/01/05/390810105.db2.gz KELARXDCJLEYRO-UHFFFAOYSA-N 1 0 260.253 1.311 20 5 CDBDRO O=C(NCCN1CCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000337343154 390810330 /nfs/dbraw/zinc/81/03/30/390810330.db2.gz XFVMGZKUCISICS-UHFFFAOYSA-N 1 0 267.260 1.169 20 5 CDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@](C)(O)C1 ZINC000248345448 390935175 /nfs/dbraw/zinc/93/51/75/390935175.db2.gz MTZHGOQGAVEWSM-YGRLFVJLSA-N 1 0 293.323 1.379 20 5 CDBDRO C[C@H](C[NH3+])N(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000430922388 390942488 /nfs/dbraw/zinc/94/24/88/390942488.db2.gz ZZHVDBJGXUJMLM-SECBINFHSA-N 1 0 291.311 1.424 20 5 CDBDRO COc1ccc(CNCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000415072207 391254502 /nfs/dbraw/zinc/25/45/02/391254502.db2.gz VLJDCBNCYFCPFY-UHFFFAOYSA-N 1 0 279.340 1.835 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000519709259 391204167 /nfs/dbraw/zinc/20/41/67/391204167.db2.gz RIBFBTJWWPMBHJ-RQJHMYQMSA-N 1 0 284.291 1.172 20 5 CDBDRO Cc1nn(C)c(NCCCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000413349174 391204512 /nfs/dbraw/zinc/20/45/12/391204512.db2.gz QVNZXHHUUVMRGY-UHFFFAOYSA-N 1 0 281.360 1.923 20 5 CDBDRO C[C@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295014485 391360459 /nfs/dbraw/zinc/36/04/59/391360459.db2.gz UEEJXNWJBZZUNQ-LLVKDONJSA-N 1 0 276.340 1.910 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]([NH3+])C1 ZINC000415500883 391467896 /nfs/dbraw/zinc/46/78/96/391467896.db2.gz LULKIXKVLYOPIN-QMMMGPOBSA-N 1 0 280.284 1.168 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415630862 391470130 /nfs/dbraw/zinc/47/01/30/391470130.db2.gz LQOWIKXHPYJICC-DTWKUNHWSA-N 1 0 296.302 1.935 20 5 CDBDRO C[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000415634261 391470427 /nfs/dbraw/zinc/47/04/27/391470427.db2.gz SDWFNBOVWWCFQW-PRHODGIISA-N 1 0 296.302 1.935 20 5 CDBDRO C[C@]1(C(=O)N2CCc3c2cccc3[N+](=O)[O-])CC[NH2+]C1 ZINC000521028509 391481696 /nfs/dbraw/zinc/48/16/96/391481696.db2.gz OKGVZXUFIAZRKC-AWEZNQCLSA-N 1 0 275.308 1.484 20 5 CDBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[N@@H+](C2CCC2)C1 ZINC000292155018 391529899 /nfs/dbraw/zinc/52/98/99/391529899.db2.gz CODRCVOXRFGJFN-LLVKDONJSA-N 1 0 291.355 1.695 20 5 CDBDRO CO[C@@H](C)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000248419334 391626179 /nfs/dbraw/zinc/62/61/79/391626179.db2.gz LACBIKVMHQCCDF-WDEREUQCSA-N 1 0 280.328 1.511 20 5 CDBDRO C[N@H+](Cc1ccccc1)C1CN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000343602716 391636041 /nfs/dbraw/zinc/63/60/41/391636041.db2.gz XNESHIGTVMUDTL-UHFFFAOYSA-N 1 0 299.334 1.705 20 5 CDBDRO C[NH+](C)C1CN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000293089511 391638689 /nfs/dbraw/zinc/63/86/89/391638689.db2.gz OKHSPYCTQZBBRV-UHFFFAOYSA-N 1 0 255.705 1.998 20 5 CDBDRO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304283997 130062811 /nfs/dbraw/zinc/06/28/11/130062811.db2.gz FFUOBTHFXTWIBW-NQBHXWOUSA-N 1 0 282.344 1.130 20 5 CDBDRO CC[C@]1(CO)CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000189662441 391783528 /nfs/dbraw/zinc/78/35/28/391783528.db2.gz WERJJTJXAQOFBQ-LSDHHAIUSA-N 1 0 294.351 1.865 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235398347 130949806 /nfs/dbraw/zinc/94/98/06/130949806.db2.gz TYLWKQNKKWSUPB-ZJUUUORDSA-N 1 0 263.297 1.465 20 5 CDBDRO CCc1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000237137783 131007102 /nfs/dbraw/zinc/00/71/02/131007102.db2.gz STYTZNZXMSQFNB-LLVKDONJSA-N 1 0 263.297 1.330 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000237242311 131017328 /nfs/dbraw/zinc/01/73/28/131017328.db2.gz ZDTXCNKQBRENEW-BXKDBHETSA-N 1 0 293.323 1.461 20 5 CDBDRO C[NH2+]CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000237352573 131025569 /nfs/dbraw/zinc/02/55/69/131025569.db2.gz AJXMVCDRPXOZGI-UHFFFAOYSA-N 1 0 292.339 1.249 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000237419467 131029492 /nfs/dbraw/zinc/02/94/92/131029492.db2.gz IMVKDCRMHOXDKD-JTQLQIEISA-N 1 0 265.313 1.333 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)CC[NH3+])cc1[N+](=O)[O-] ZINC000237603700 131045985 /nfs/dbraw/zinc/04/59/85/131045985.db2.gz LDINIYLFYUBCDE-VIFPVBQESA-N 1 0 251.286 1.429 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000237819361 131059544 /nfs/dbraw/zinc/05/95/44/131059544.db2.gz SJAPAYVVZBADMC-ZWNOBZJWSA-N 1 0 293.323 1.217 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261728000 131164857 /nfs/dbraw/zinc/16/48/57/131164857.db2.gz QTDQHHPQIGNLEX-NWDGAFQWSA-N 1 0 289.335 1.585 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261770827 131167772 /nfs/dbraw/zinc/16/77/72/131167772.db2.gz KIQAOASGYMXLKO-AOOOYVTPSA-N 1 0 279.296 1.259 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000262821130 131264469 /nfs/dbraw/zinc/26/44/69/131264469.db2.gz POBYAODLLSZJOH-KWQFWETISA-N 1 0 297.742 1.976 20 5 CDBDRO Cc1ccc(C[NH2+][C@H]2CC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000263790593 131331586 /nfs/dbraw/zinc/33/15/86/131331586.db2.gz XTUZTLLJRFHWDZ-NSHDSACASA-N 1 0 263.297 1.224 20 5 CDBDRO C[NH+](C)C1CN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000271710682 392605723 /nfs/dbraw/zinc/60/57/23/392605723.db2.gz GXRIAHCRYKKYHK-UHFFFAOYSA-N 1 0 257.240 1.623 20 5 CDBDRO C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000268855252 132077676 /nfs/dbraw/zinc/07/76/76/132077676.db2.gz QQSRSXDFBNYJBT-IUODEOHRSA-N 1 0 293.367 1.702 20 5 CDBDRO CC(C)([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269096004 132111085 /nfs/dbraw/zinc/11/10/85/132111085.db2.gz MGRIUGSCQLHIJZ-UHFFFAOYSA-N 1 0 271.704 1.602 20 5 CDBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[NH2+]CC1 ZINC000269101184 132112035 /nfs/dbraw/zinc/11/20/35/132112035.db2.gz CWIIWZYCLXUFSG-UHFFFAOYSA-N 1 0 275.264 1.386 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000269200165 132129905 /nfs/dbraw/zinc/12/99/05/132129905.db2.gz XZHMNAANINDKDB-LLVKDONJSA-N 1 0 289.291 1.808 20 5 CDBDRO NCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423180161 392958654 /nfs/dbraw/zinc/95/86/54/392958654.db2.gz IHDPAWAZJXVGPO-YPMHNXCESA-N 1 0 263.341 1.854 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]([NH3+])CC)c1 ZINC000423670297 392965887 /nfs/dbraw/zinc/96/58/87/392965887.db2.gz AOPRHXBXAYWIND-SECBINFHSA-N 1 0 281.312 1.461 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@@H](C)C[NH3+] ZINC000430934859 393104797 /nfs/dbraw/zinc/10/47/97/393104797.db2.gz QYJYVVRGRJJBRK-JTQLQIEISA-N 1 0 280.328 1.121 20 5 CDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CC[NH2+]C1 ZINC000215399861 393059670 /nfs/dbraw/zinc/05/96/70/393059670.db2.gz FUBDYWOAVAWKQT-RJNRQISESA-N 1 0 289.335 1.724 20 5 CDBDRO COc1ccc(OCCN(C)[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000430943037 393107994 /nfs/dbraw/zinc/10/79/94/393107994.db2.gz OAESDFNUMBMPKG-JTQLQIEISA-N 1 0 283.328 1.261 20 5 CDBDRO Cc1cnc(N(C)CC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000274424100 393111929 /nfs/dbraw/zinc/11/19/29/393111929.db2.gz COQCJWOIUXHGDC-UHFFFAOYSA-N 1 0 264.329 1.829 20 5 CDBDRO C[NH+](C)C1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000275376426 393113015 /nfs/dbraw/zinc/11/30/15/393113015.db2.gz OKKCWZWGECRDCP-UHFFFAOYSA-N 1 0 262.313 1.313 20 5 CDBDRO CC(=O)NCCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449071010 393129158 /nfs/dbraw/zinc/12/91/58/393129158.db2.gz MNBIRDMYLRBYRG-NSHDSACASA-N 1 0 279.340 1.642 20 5 CDBDRO CCC1(C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])COC1 ZINC000449600211 393135708 /nfs/dbraw/zinc/13/57/08/393135708.db2.gz NQFOMWRICNUAFY-UHFFFAOYSA-N 1 0 296.323 1.825 20 5 CDBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000278750856 393143302 /nfs/dbraw/zinc/14/33/02/393143302.db2.gz WKPIKRUXJYWXHY-KGLIPLIRSA-N 1 0 280.324 1.878 20 5 CDBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332727466 393155163 /nfs/dbraw/zinc/15/51/63/393155163.db2.gz SPTHPAVPQFUGJI-ZJUUUORDSA-N 1 0 252.318 1.949 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000493871121 393223113 /nfs/dbraw/zinc/22/31/13/393223113.db2.gz HBYMQOVKWRLQLB-NXEZZACHSA-N 1 0 280.328 1.106 20 5 CDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000132667801 139855935 /nfs/dbraw/zinc/85/59/35/139855935.db2.gz ZOJOWLMZPQRMMR-VIFPVBQESA-N 1 0 297.742 1.978 20 5 CDBDRO Cc1cc(N[C@@H]2CNC(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000225825171 140177777 /nfs/dbraw/zinc/17/77/77/140177777.db2.gz OBGMUOSXPXKPIE-VIFPVBQESA-N 1 0 286.291 1.752 20 5 CDBDRO C[C@]1(C[NH3+])CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000261592800 140358893 /nfs/dbraw/zinc/35/88/93/140358893.db2.gz YRRRUBBXJWHYIB-GFCCVEGCSA-N 1 0 253.277 1.909 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261595991 140360383 /nfs/dbraw/zinc/36/03/83/140360383.db2.gz ACGPJXGFSSXKLY-QJPTWQEYSA-N 1 0 289.335 1.713 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261637808 140367917 /nfs/dbraw/zinc/36/79/17/140367917.db2.gz IKANUDMBBQNEPL-CQSZACIVSA-N 1 0 290.367 1.074 20 5 CDBDRO COC[C@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000261848943 140397898 /nfs/dbraw/zinc/39/78/98/140397898.db2.gz WNFFFGYKOZZQRE-ZDUSSCGKSA-N 1 0 279.296 1.159 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)c(F)c1 ZINC000261856045 140398963 /nfs/dbraw/zinc/39/89/63/140398963.db2.gz XEWOWHQEDZWCQY-SMDDNHRTSA-N 1 0 279.315 1.918 20 5 CDBDRO C[C@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000253189218 398131986 /nfs/dbraw/zinc/13/19/86/398131986.db2.gz KHBVSLWYTQOVCV-DTWKUNHWSA-N 1 0 295.368 1.725 20 5 CDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000061014377 146880830 /nfs/dbraw/zinc/88/08/30/146880830.db2.gz YZMKQLOZMNQXNU-UHFFFAOYSA-N 1 0 263.297 1.211 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[NH2+]CC1 ZINC000093631667 147059524 /nfs/dbraw/zinc/05/95/24/147059524.db2.gz FASWVLZEDBGSEH-UHFFFAOYSA-N 1 0 255.705 1.653 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCCC[C@@H]1O ZINC000181469807 148202132 /nfs/dbraw/zinc/20/21/32/148202132.db2.gz RGZVTZWBUOMUCL-NEPJUHHUSA-N 1 0 282.344 1.274 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH2+]CC1 ZINC000262240714 149038305 /nfs/dbraw/zinc/03/83/05/149038305.db2.gz QJNUDYVLQFBNHT-UHFFFAOYSA-N 1 0 279.296 1.085 20 5 CDBDRO COC[C@H]([NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000262293736 149047978 /nfs/dbraw/zinc/04/79/78/149047978.db2.gz YVYIJVYRFHTXBT-ZDUSSCGKSA-N 1 0 295.339 1.306 20 5 CDBDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000312618907 149235587 /nfs/dbraw/zinc/23/55/87/149235587.db2.gz WGPPVPNWAVBUGY-TVQRCGJNSA-N 1 0 284.287 1.363 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+][C@H]2COC[C@@H]2O)cc1[N+](=O)[O-] ZINC000323366547 149263221 /nfs/dbraw/zinc/26/32/21/149263221.db2.gz DAIBJHXKOMYXKR-GAFUQQFSSA-N 1 0 266.297 1.314 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000336787433 151706318 /nfs/dbraw/zinc/70/63/18/151706318.db2.gz DYQVPOMAJSFKQX-SSDOTTSWSA-N 1 0 255.249 1.201 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC([NH+]2CCCC2)CC1 ZINC000344585817 152578731 /nfs/dbraw/zinc/57/87/31/152578731.db2.gz CHONVPZUDJNTSW-UHFFFAOYSA-N 1 0 292.339 1.623 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N(C)CC[NH+](C)C)c1 ZINC000267076418 286381879 /nfs/dbraw/zinc/38/18/79/286381879.db2.gz RNRHREKYKVTSGG-UHFFFAOYSA-N 1 0 253.302 1.601 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000349823227 154229913 /nfs/dbraw/zinc/22/99/13/154229913.db2.gz SVMPBWJDGGJEOO-UHFFFAOYSA-N 1 0 266.301 1.089 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000375251569 160357602 /nfs/dbraw/zinc/35/76/02/160357602.db2.gz XGBJZBFMFIINMK-AAEUAGOBSA-N 1 0 261.281 1.533 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N(C)CC[NH+]1CCCC1 ZINC000359486105 158262438 /nfs/dbraw/zinc/26/24/38/158262438.db2.gz SFECZKFYKUFPDA-UHFFFAOYSA-N 1 0 281.360 1.652 20 5 CDBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000359765527 158367200 /nfs/dbraw/zinc/36/72/00/158367200.db2.gz RUPHYCYHBAPULK-VIFPVBQESA-N 1 0 283.332 1.168 20 5 CDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000362015812 159039816 /nfs/dbraw/zinc/03/98/16/159039816.db2.gz OUMPYWYVYJXEQT-LSDHHAIUSA-N 1 0 294.351 1.921 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000363917965 159354683 /nfs/dbraw/zinc/35/46/83/159354683.db2.gz MZHAMEGLEYSMOX-SNVBAGLBSA-N 1 0 295.364 1.967 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC([C@H]3CCOC3)CC2)c1 ZINC000372349415 160109347 /nfs/dbraw/zinc/10/93/47/160109347.db2.gz PFGWUCVKDOMPNG-ZDUSSCGKSA-N 1 0 294.355 1.540 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CC([C@H]3CCOC3)C2)c1 ZINC000373642939 160217865 /nfs/dbraw/zinc/21/78/65/160217865.db2.gz WCFGWOKHGLSZCX-SWLSCSKDSA-N 1 0 292.335 1.597 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000276923208 286828270 /nfs/dbraw/zinc/82/82/70/286828270.db2.gz LGEIFNIDUABABF-LURJTMIESA-N 1 0 257.677 1.325 20 5 CDBDRO Cc1c(NC(=O)C[NH2+]C(C)C)cccc1[N+](=O)[O-] ZINC000037386099 173168851 /nfs/dbraw/zinc/16/88/51/173168851.db2.gz LFRLDQZVYGLLPN-UHFFFAOYSA-N 1 0 251.286 1.840 20 5 CDBDRO C[NH+]1CCN(CCNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000037502076 173238410 /nfs/dbraw/zinc/23/84/10/173238410.db2.gz SKDCHQBNTRQGLN-UHFFFAOYSA-N 1 0 282.319 1.393 20 5 CDBDRO Cc1cccc(C(=O)NCCCC[NH3+])c1[N+](=O)[O-] ZINC000037714543 173633069 /nfs/dbraw/zinc/63/30/69/173633069.db2.gz HPAWUEWWXYDOOD-UHFFFAOYSA-N 1 0 251.286 1.372 20 5 CDBDRO Cc1ccc(C(=O)NCCCC[NH3+])cc1[N+](=O)[O-] ZINC000037714553 173633533 /nfs/dbraw/zinc/63/35/33/173633533.db2.gz FQZPSPPYVMEWAM-UHFFFAOYSA-N 1 0 251.286 1.372 20 5 CDBDRO CC(C)C[C@H]([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000040459102 174269264 /nfs/dbraw/zinc/26/92/64/174269264.db2.gz SOTUAAYDAUWHSE-NSHDSACASA-N 1 0 251.286 1.907 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000040595046 174348598 /nfs/dbraw/zinc/34/85/98/174348598.db2.gz YLHXDNMAHWDNAZ-VIFPVBQESA-N 1 0 267.285 1.259 20 5 CDBDRO CCN1C[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1=O ZINC000391607473 264552938 /nfs/dbraw/zinc/55/29/38/264552938.db2.gz UYTNGCLAZDWFGO-LLVKDONJSA-N 1 0 293.323 1.314 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1NCC[NH+]1CCC(O)CC1 ZINC000321384877 270329686 /nfs/dbraw/zinc/32/96/86/270329686.db2.gz QCTHIIRNONUXMO-UHFFFAOYSA-N 1 0 283.303 1.603 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC(C)(C)CC[NH3+] ZINC000397198886 270346752 /nfs/dbraw/zinc/34/67/52/270346752.db2.gz UNPDLDNGXSUILC-UHFFFAOYSA-N 1 0 265.313 1.760 20 5 CDBDRO C[NH2+][C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000133101400 273972587 /nfs/dbraw/zinc/97/25/87/273972587.db2.gz KJQFREKQCISUJS-SNVBAGLBSA-N 1 0 272.308 1.941 20 5 CDBDRO C[NH2+][C@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000129110334 273974994 /nfs/dbraw/zinc/97/49/94/273974994.db2.gz OCGNISHPAASLIL-ZETCQYMHSA-N 1 0 267.314 1.102 20 5 CDBDRO COC[C@H](O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279081481 274051615 /nfs/dbraw/zinc/05/16/15/274051615.db2.gz MQIHZYWAIRYMJE-RISCZKNCSA-N 1 0 294.351 1.914 20 5 CDBDRO COc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000278731898 274097003 /nfs/dbraw/zinc/09/70/03/274097003.db2.gz KXUWPTIGOCYEBW-PHIMTYICSA-N 1 0 277.324 1.601 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc([N+](=O)[O-])c1 ZINC000128903488 274680436 /nfs/dbraw/zinc/68/04/36/274680436.db2.gz VLGFDZUBPCEUCD-CHWSQXEVSA-N 1 0 277.324 1.903 20 5 CDBDRO CCOc1cccc(N2CC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000135050562 276381491 /nfs/dbraw/zinc/38/14/91/276381491.db2.gz NXWUDSCCBYPDIU-VIFPVBQESA-N 1 0 251.286 1.531 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(CCn3ccc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000158819826 277083606 /nfs/dbraw/zinc/08/36/06/277083606.db2.gz JWIWRPJQSGFBKI-STQMWFEESA-N 1 0 293.371 1.207 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856136 277281164 /nfs/dbraw/zinc/28/11/64/277281164.db2.gz HJVCHRKVRWDMAF-VIFPVBQESA-N 1 0 265.313 1.375 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000234384774 277285853 /nfs/dbraw/zinc/28/58/53/277285853.db2.gz LWKSKPATASCGMP-MRVPVSSYSA-N 1 0 270.720 1.831 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH3+])C2)c1 ZINC000155918784 277431418 /nfs/dbraw/zinc/43/14/18/277431418.db2.gz LHYJOCQCTOARQP-VIFPVBQESA-N 1 0 251.286 1.531 20 5 CDBDRO COC[C@]1(CNC(=O)c2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261768304 277609457 /nfs/dbraw/zinc/60/94/57/277609457.db2.gz VQVYYCMEEKWJQK-CQSZACIVSA-N 1 0 293.323 1.093 20 5 CDBDRO C[C@@H]([NH3+])CCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000178635526 278307475 /nfs/dbraw/zinc/30/74/75/278307475.db2.gz UAVBICRRPMQCIA-NXEZZACHSA-N 1 0 297.380 1.929 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000063193383 278316993 /nfs/dbraw/zinc/31/69/93/278316993.db2.gz JKHTZRVZCKMOGF-RKDXNWHRSA-N 1 0 283.353 1.998 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000343419339 279029879 /nfs/dbraw/zinc/02/98/79/279029879.db2.gz QAHHQDWDWDQIED-AAEUAGOBSA-N 1 0 291.351 1.941 20 5 CDBDRO C[NH+](C)[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000076925531 279227748 /nfs/dbraw/zinc/22/77/48/279227748.db2.gz FSUWOWAQOSYZHI-CYBMUJFWSA-N 1 0 277.324 1.665 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000108337975 279305469 /nfs/dbraw/zinc/30/54/69/279305469.db2.gz OSTRVTAFUWCLPY-LLVKDONJSA-N 1 0 277.324 1.666 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417148011 279396936 /nfs/dbraw/zinc/39/69/36/279396936.db2.gz ZZVOFXISHFIWCP-UWVGGRQHSA-N 1 0 280.328 1.692 20 5 CDBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000070148962 279631774 /nfs/dbraw/zinc/63/17/74/279631774.db2.gz FKKXROOIBAAXMX-GFCCVEGCSA-N 1 0 277.324 1.938 20 5 CDBDRO C[NH+](C)CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000193656226 280007704 /nfs/dbraw/zinc/00/77/04/280007704.db2.gz MSEKYEJDFAYWAI-UHFFFAOYSA-N 1 0 281.312 1.042 20 5 CDBDRO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000261613665 280113693 /nfs/dbraw/zinc/11/36/93/280113693.db2.gz SVGGQDLNEVIWHT-IONNQARKSA-N 1 0 283.715 1.810 20 5 CDBDRO CC(C)[C@H](C[NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000087533428 280236933 /nfs/dbraw/zinc/23/69/33/280236933.db2.gz VFQQFPMHHIAEIL-NSHDSACASA-N 1 0 265.313 1.442 20 5 CDBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000127753481 280278437 /nfs/dbraw/zinc/27/84/37/280278437.db2.gz JBKWIQYIKHWFOH-CQSZACIVSA-N 1 0 293.367 1.969 20 5 CDBDRO Cc1cc(N2C[C@@H](C)[NH2+]C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000092027788 280582900 /nfs/dbraw/zinc/58/29/00/280582900.db2.gz JLLYEORFQJFMSZ-ZJUUUORDSA-N 1 0 250.302 1.485 20 5 CDBDRO Cc1ccnc(N2CC[C@H]([NH3+])[C@H](C)C2)c1[N+](=O)[O-] ZINC000094342632 281462086 /nfs/dbraw/zinc/46/20/86/281462086.db2.gz PCRGICDLYHDEME-ZJUUUORDSA-N 1 0 250.302 1.472 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000157336366 289283944 /nfs/dbraw/zinc/28/39/44/289283944.db2.gz OYWMPXWZFNVKRX-JTQLQIEISA-N 1 0 292.339 1.249 20 5 CDBDRO C[C@@H]([NH2+]CCN1CCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000405370543 289446599 /nfs/dbraw/zinc/44/65/99/289446599.db2.gz PGXLUJDTESKVRO-LLVKDONJSA-N 1 0 277.324 1.868 20 5 CDBDRO C[C@H]([NH3+])CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000442661433 289772583 /nfs/dbraw/zinc/77/25/83/289772583.db2.gz NLTUDCBFLVVGOZ-NSHDSACASA-N 1 0 264.329 1.064 20 5 CDBDRO Cc1ccnc(N2C[C@H](C[NH3+])C[C@@H]2C)c1[N+](=O)[O-] ZINC000216228563 292782543 /nfs/dbraw/zinc/78/25/43/292782543.db2.gz LYCKPBUDIVKVHB-UWVGGRQHSA-N 1 0 250.302 1.472 20 5 CDBDRO C[N@@H+]1CCCC12CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])CC2 ZINC000554864394 290195278 /nfs/dbraw/zinc/19/52/78/290195278.db2.gz ZTXLOZYEYCSLDW-UHFFFAOYSA-N 1 0 293.327 1.018 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000320291322 292929649 /nfs/dbraw/zinc/92/96/49/292929649.db2.gz YQNCDYIVQUXPKT-VHSXEESVSA-N 1 0 265.313 1.759 20 5 CDBDRO O=c1c([N+](=O)[O-])cccn1CCC1CC[NH2+]CC1 ZINC000563082512 293267258 /nfs/dbraw/zinc/26/72/58/293267258.db2.gz ZUYNMIFSBSCRJH-UHFFFAOYSA-N 1 0 251.286 1.146 20 5 CDBDRO CCC[C@H](O)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000563142194 293288112 /nfs/dbraw/zinc/28/81/12/293288112.db2.gz OLFZARJGRGISLL-STQMWFEESA-N 1 0 298.339 1.085 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000565293750 293584936 /nfs/dbraw/zinc/58/49/36/293584936.db2.gz OFFQUWGEYJQVOK-AWEZNQCLSA-N 1 0 292.339 1.475 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000568983034 294134249 /nfs/dbraw/zinc/13/42/49/294134249.db2.gz YQMOMUZUAHGSEB-UHFFFAOYSA-N 1 0 284.291 1.046 20 5 CDBDRO CC(=O)N1CC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000569138428 294166649 /nfs/dbraw/zinc/16/66/49/294166649.db2.gz OARFVVJQJWTDKZ-SNVBAGLBSA-N 1 0 277.324 1.785 20 5 CDBDRO O=c1ccn(CC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000569219921 294176455 /nfs/dbraw/zinc/17/64/55/294176455.db2.gz ABOYICUOJSAVHS-JTQLQIEISA-N 1 0 251.286 1.146 20 5 CDBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000574210236 294965687 /nfs/dbraw/zinc/96/56/87/294965687.db2.gz PLQCQIQCBTVTFL-NXEZZACHSA-N 1 0 270.333 1.215 20 5 CDBDRO O=C(NCCC[NH2+]C1CCCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000574788076 295055107 /nfs/dbraw/zinc/05/51/07/295055107.db2.gz HGHSJIFVXHZDAZ-UHFFFAOYSA-N 1 0 295.343 1.360 20 5 CDBDRO Cc1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])no1 ZINC000459555967 301271485 /nfs/dbraw/zinc/27/14/85/301271485.db2.gz HKTKKCILCDMHSX-UHFFFAOYSA-N 1 0 276.296 1.857 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000382462694 323642584 /nfs/dbraw/zinc/64/25/84/323642584.db2.gz XLDMMAPXHPIACT-ZYHUDNBSSA-N 1 0 277.324 1.760 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000382531828 323644024 /nfs/dbraw/zinc/64/40/24/323644024.db2.gz WGSNXWBJMSUNTL-MWLCHTKSSA-N 1 0 263.297 1.452 20 5 CDBDRO CN(C(=O)c1ccccc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000385331253 323704320 /nfs/dbraw/zinc/70/43/20/323704320.db2.gz PYWZUAOWXLIECN-UHFFFAOYSA-N 1 0 263.297 1.548 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cc[nH]n2)n1 ZINC000578832504 324032464 /nfs/dbraw/zinc/03/24/64/324032464.db2.gz SQPXTJBXQIYIQQ-RYUDHWBXSA-N 1 0 290.327 1.788 20 5 CDBDRO Cc1c(NC(=O)N(C)[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000580049363 324350900 /nfs/dbraw/zinc/35/09/00/324350900.db2.gz LONRUPYPRJTDEP-SNVBAGLBSA-N 1 0 278.312 1.729 20 5 CDBDRO [NH3+]Cc1cccn1-c1ncnc2sc([N+](=O)[O-])cc21 ZINC001167589894 1159141280 /nfs/dbraw/zinc/14/12/80/1159141280.db2.gz OCFUBYQBEWYSGB-UHFFFAOYSA-N 1 0 275.293 1.849 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417933399 533781783 /nfs/dbraw/zinc/78/17/83/533781783.db2.gz DSPCNPDGGALQNA-JTQLQIEISA-N 1 0 280.328 1.126 20 5 CDBDRO C[C@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000192766727 534072505 /nfs/dbraw/zinc/07/25/05/534072505.db2.gz IOUYUXVSNBEEQU-JTQLQIEISA-N 1 0 250.298 1.940 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000054263801 519917844 /nfs/dbraw/zinc/91/78/44/519917844.db2.gz AJEZRWDJCVWWRD-UHFFFAOYSA-N 1 0 257.315 1.386 20 5 CDBDRO CCOC[C@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000069277492 520160381 /nfs/dbraw/zinc/16/03/81/520160381.db2.gz SZYYXRUIOMDKHM-GFCCVEGCSA-N 1 0 254.286 1.082 20 5 CDBDRO CCC[C@](C)([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943255 521275600 /nfs/dbraw/zinc/27/56/00/521275600.db2.gz UEZCUNIQFNHVLB-ZDUSSCGKSA-N 1 0 265.313 1.729 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000148814900 522029220 /nfs/dbraw/zinc/02/92/20/522029220.db2.gz UKZJZFZCWNHVJX-MRVPVSSYSA-N 1 0 269.276 1.319 20 5 CDBDRO COc1cc(C(=O)N2CCC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000156687071 522074142 /nfs/dbraw/zinc/07/41/42/522074142.db2.gz BIAPGZJIORPEQW-JTQLQIEISA-N 1 0 293.323 1.414 20 5 CDBDRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000049948310 522195886 /nfs/dbraw/zinc/19/58/86/522195886.db2.gz YGYWLLCGKURVPT-GHMZBOCLSA-N 1 0 279.340 1.988 20 5 CDBDRO CO[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000226413437 523997510 /nfs/dbraw/zinc/99/75/10/523997510.db2.gz HHSSWDWAWXAFCS-MNOVXSKESA-N 1 0 285.369 1.594 20 5 CDBDRO C[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163602920 524243982 /nfs/dbraw/zinc/24/39/82/524243982.db2.gz YZJMPRBHGWPCHZ-AAEUAGOBSA-N 1 0 291.351 1.581 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000237563922 524308055 /nfs/dbraw/zinc/30/80/55/524308055.db2.gz BAYNXPBEZJMGJO-SSDOTTSWSA-N 1 0 255.249 1.059 20 5 CDBDRO Cc1ccc(C[NH2+][C@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000037273378 524603371 /nfs/dbraw/zinc/60/33/71/524603371.db2.gz BGRITAQOOGHEOK-CYBMUJFWSA-N 1 0 293.367 1.714 20 5 CDBDRO CS(=O)(=O)c1cccc(NCC2([NH3+])CCC2)c1[N+](=O)[O-] ZINC000235027469 525271530 /nfs/dbraw/zinc/27/15/30/525271530.db2.gz ASOFOAQLUXNRKX-UHFFFAOYSA-N 1 0 299.352 1.292 20 5 CDBDRO Cc1cc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)ccc1[N+](=O)[O-] ZINC000221566627 526252064 /nfs/dbraw/zinc/25/20/64/526252064.db2.gz LVGZNJFDFNATBQ-GXTWGEPZSA-N 1 0 289.335 1.727 20 5 CDBDRO CNC(=O)c1ccc(N(C)CC(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC000212642469 536430003 /nfs/dbraw/zinc/43/00/03/536430003.db2.gz TYLLWWZBROYEJB-UHFFFAOYSA-N 1 0 294.355 1.376 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000236239754 527204834 /nfs/dbraw/zinc/20/48/34/527204834.db2.gz BVWHZEKUCUIBPL-CQSZACIVSA-N 1 0 291.351 1.771 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000101984961 535006170 /nfs/dbraw/zinc/00/61/70/535006170.db2.gz SMBCZPFJNBNQDP-UHFFFAOYSA-N 1 0 294.355 1.734 20 5 CDBDRO CC1(C)C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C(C)(C)O1 ZINC000090538526 535367575 /nfs/dbraw/zinc/36/75/75/535367575.db2.gz YMLMSAWMNSQPLQ-NSHDSACASA-N 1 0 282.344 1.727 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H](C)[NH3+])c1 ZINC000422781278 535427356 /nfs/dbraw/zinc/42/73/56/535427356.db2.gz LIUQMZNBJZBCAP-VIFPVBQESA-N 1 0 281.312 1.461 20 5 CDBDRO CC[NH2+]CCNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000417196195 535471520 /nfs/dbraw/zinc/47/15/20/535471520.db2.gz SXKCZRZUYPSVNE-UHFFFAOYSA-N 1 0 296.327 1.012 20 5 CDBDRO CC[C@@H](NC(=O)[C@H]([NH3+])COC)c1cccc([N+](=O)[O-])c1 ZINC000262329312 535798817 /nfs/dbraw/zinc/79/88/17/535798817.db2.gz RKRGQTSDDAESLW-VXGBXAGGSA-N 1 0 281.312 1.136 20 5 CDBDRO CN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000179053319 535977429 /nfs/dbraw/zinc/97/74/29/535977429.db2.gz NYDDGJJSSUWRPE-ZDUSSCGKSA-N 1 0 277.324 1.348 20 5 CDBDRO COc1ccc(C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262842800 536725430 /nfs/dbraw/zinc/72/54/30/536725430.db2.gz XPABOMLDOZRYQJ-ZJUUUORDSA-N 1 0 293.323 1.426 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCCCO2)c1 ZINC000749691700 576957984 /nfs/dbraw/zinc/95/79/84/576957984.db2.gz RCIQTXVISPCBOK-KBPBESRZSA-N 1 0 280.324 1.787 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CCn3cccc3C2)cc1 ZINC000932528352 617325535 /nfs/dbraw/zinc/32/55/35/617325535.db2.gz CTGBJKFBWDDIKA-OAHLLOKOSA-N 1 0 287.319 1.946 20 5 CDBDRO C[NH+](C)C1CCN(c2ccc3nonc3c2[N+](=O)[O-])CC1 ZINC000891780047 617585019 /nfs/dbraw/zinc/58/50/19/617585019.db2.gz RRROCRUMINLLDQ-UHFFFAOYSA-N 1 0 291.311 1.661 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]2CO)c(Cl)c1 ZINC000934018775 617857960 /nfs/dbraw/zinc/85/79/60/617857960.db2.gz YJNVXKQZTYLROG-JTQLQIEISA-N 1 0 256.689 1.815 20 5 CDBDRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000893007033 618051896 /nfs/dbraw/zinc/05/18/96/618051896.db2.gz FTKAHWIKHSNQMX-YVECIDJPSA-N 1 0 283.372 1.373 20 5 CDBDRO C[N@@H+]1C[C@H]2CCN(c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000893934239 618193357 /nfs/dbraw/zinc/19/33/57/618193357.db2.gz GGYZTUAISVYMBH-RNCFNFMXSA-N 1 0 265.288 1.874 20 5 CDBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000892432392 618196132 /nfs/dbraw/zinc/19/61/32/618196132.db2.gz OHAHVBYNWZJSCM-SNVBAGLBSA-N 1 0 282.296 1.578 20 5 CDBDRO Cc1cc(N2CCC(O)(C[NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000894955997 619159112 /nfs/dbraw/zinc/15/91/12/619159112.db2.gz MRHUDCFNIWHKTN-UHFFFAOYSA-N 1 0 294.355 1.191 20 5 CDBDRO Cc1nc(N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000895245968 619492377 /nfs/dbraw/zinc/49/23/77/619492377.db2.gz KSAMRHORHAZNOH-YPMHNXCESA-N 1 0 293.371 1.344 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000905104819 626621986 /nfs/dbraw/zinc/62/19/86/626621986.db2.gz HIDCHFQPAQFOBV-UHFFFAOYSA-N 1 0 296.714 1.799 20 5 CDBDRO COCCCOc1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905182125 626664575 /nfs/dbraw/zinc/66/45/75/626664575.db2.gz WZVFKSOERNOSNG-UHFFFAOYSA-N 1 0 268.313 1.468 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000905206289 626691928 /nfs/dbraw/zinc/69/19/28/626691928.db2.gz BUVFUXXHHXFVLN-OLZOCXBDSA-N 1 0 268.288 1.912 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCO[C@@H]2CCOC2)c1 ZINC000905608872 626873208 /nfs/dbraw/zinc/87/32/08/626873208.db2.gz KPLMUNJJEOEEKS-ZIAGYGMSSA-N 1 0 296.323 1.023 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCO[C@H]2CCOC2)cc1 ZINC000905610737 626894219 /nfs/dbraw/zinc/89/42/19/626894219.db2.gz VXWPLLDAAIIVBA-KBPBESRZSA-N 1 0 296.323 1.023 20 5 CDBDRO C[C@H]([NH2+][C@@H]1COC[C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000905868296 627010970 /nfs/dbraw/zinc/01/09/70/627010970.db2.gz QYQDUSNKHMYLOG-JFGNBEQYSA-N 1 0 293.323 1.546 20 5 CDBDRO C[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[NH+](C)C ZINC000149143488 627198756 /nfs/dbraw/zinc/19/87/56/627198756.db2.gz LJJKZVXSMJUMQR-MRVPVSSYSA-N 1 0 285.731 1.928 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000911832219 629562708 /nfs/dbraw/zinc/56/27/08/629562708.db2.gz GRBHMIQBRUGWCH-LLVKDONJSA-N 1 0 295.364 1.784 20 5 CDBDRO C[NH+](C)CCCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000912593353 630081844 /nfs/dbraw/zinc/08/18/44/630081844.db2.gz ZBTKBIBCALVSIH-UHFFFAOYSA-N 1 0 297.267 1.612 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000153826784 631900208 /nfs/dbraw/zinc/90/02/08/631900208.db2.gz IPBCTCADBJAUJS-UWVGGRQHSA-N 1 0 292.339 1.308 20 5 CDBDRO Cc1cnc(OC[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000917148813 632164615 /nfs/dbraw/zinc/16/46/15/632164615.db2.gz FWNMWCCHPVGJHB-SNVBAGLBSA-N 1 0 251.286 1.771 20 5 CDBDRO COc1nc(N2CCC[C@H]([NH3+])[C@H]2C)ccc1[N+](=O)[O-] ZINC001157731759 1162359587 /nfs/dbraw/zinc/35/95/87/1162359587.db2.gz FWSQKRXKZJGCEM-BDAKNGLRSA-N 1 0 266.301 1.314 20 5 CDBDRO [NH3+][C@@H]1CCc2nn(-c3nc(Cl)ncc3[N+](=O)[O-])cc2C1 ZINC001157980404 1162644975 /nfs/dbraw/zinc/64/49/75/1162644975.db2.gz VDVVAQZUWWQYKG-SSDOTTSWSA-N 1 0 294.702 1.040 20 5 CDBDRO Cc1nc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)ccc1[N+](=O)[O-] ZINC001155514735 1167205797 /nfs/dbraw/zinc/20/57/97/1167205797.db2.gz LNSZNHTXUPIJOJ-NQBHXWOUSA-N 1 0 292.339 1.335 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)n1 ZINC001155623944 1167266121 /nfs/dbraw/zinc/26/61/21/1167266121.db2.gz ULLCKRWXZPHDCA-GWCFXTLKSA-N 1 0 293.327 1.016 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001307195205 1167456336 /nfs/dbraw/zinc/45/63/36/1167456336.db2.gz MOSDHLRSAHENKE-SNVBAGLBSA-N 1 0 278.312 1.200 20 5 CDBDRO C[C@@H](NC(=O)[C@H](N)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC001579406571 1172168674 /nfs/dbraw/zinc/16/86/74/1172168674.db2.gz RCRVHJVRGQDRDP-ZWNOBZJWSA-N 1 0 294.355 1.051 20 5 CDBDRO C[C@H](NC(=O)CC1([NH3+])CC1)c1ccccc1[N+](=O)[O-] ZINC001579481030 1172194845 /nfs/dbraw/zinc/19/48/45/1172194845.db2.gz MPVXVDDBDSXHSC-VIFPVBQESA-N 1 0 263.297 1.653 20 5 CDBDRO Cc1c(NC(=O)C2(F)CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC001579537983 1172209035 /nfs/dbraw/zinc/20/90/35/1172209035.db2.gz KEYAJHMBTNJKLX-UHFFFAOYSA-N 1 0 281.287 1.933 20 5 CDBDRO Cc1ccc(NC(=O)[C@H]2[C@@H]3C[NH2+]CC[C@@H]32)c(N)c1[N+](=O)[O-] ZINC001579715525 1172246885 /nfs/dbraw/zinc/24/68/85/1172246885.db2.gz VLEFJTJXSWXRQZ-IQJOONFLSA-N 1 0 290.323 1.279 20 5 CDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1CC[NH2+]C[C@H]1F ZINC001580574550 1172471895 /nfs/dbraw/zinc/47/18/95/1172471895.db2.gz SEERHTDPAMREMS-GHMZBOCLSA-N 1 0 299.277 1.093 20 5 CDBDRO O=[N+]([O-])c1cc(CO)c(NC[C@@H]2CCC[NH2+]2)cc1F ZINC001580875067 1172558191 /nfs/dbraw/zinc/55/81/91/1172558191.db2.gz WQURXVWQJDGSRL-VIFPVBQESA-N 1 0 269.276 1.390 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@H]1C ZINC001590309850 1173348933 /nfs/dbraw/zinc/34/89/33/1173348933.db2.gz QVNNCAJMPHSFCR-BDAKNGLRSA-N 1 0 288.311 1.615 20 5 CDBDRO [NH3+][C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000404489123 1186521170 /nfs/dbraw/zinc/52/11/70/1186521170.db2.gz OUNWMZQFDFWCGE-NEPJUHHUSA-N 1 0 275.308 1.595 20 5 CDBDRO C[N@@H+]1CCO[C@@H]2CN(c3cc(Cl)cc([N+](=O)[O-])n3)C[C@H]21 ZINC001164664974 719386399 /nfs/dbraw/zinc/38/63/99/719386399.db2.gz DFPGDJFSTOSHHP-NXEZZACHSA-N 1 0 298.730 1.162 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)n1 ZINC000357630731 719399000 /nfs/dbraw/zinc/39/90/00/719399000.db2.gz QJKCWZZGUDTJOV-NEPJUHHUSA-N 1 0 292.339 1.126 20 5 CDBDRO CC(C)(Cn1cc(C[C@@H]([NH3+])c2ccccc2)nn1)[N+](=O)[O-] ZINC000864642434 1164567691 /nfs/dbraw/zinc/56/76/91/1164567691.db2.gz OZSJQLOMWBBPPW-CYBMUJFWSA-N 1 0 289.339 1.576 20 5 CDBDRO C[NH+](C)C[C@@H](O)CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000827373294 818057088 /nfs/dbraw/zinc/05/70/88/818057088.db2.gz IBFFIZHSWDCKHU-JTQLQIEISA-N 1 0 290.323 1.477 20 5 CDBDRO CC(=O)N[C@@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000133993819 818073742 /nfs/dbraw/zinc/07/37/42/818073742.db2.gz CJTQRWDMAGFAFH-LLVKDONJSA-N 1 0 297.742 1.959 20 5 CDBDRO C[C@H](CCO)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843079531 818117193 /nfs/dbraw/zinc/11/71/93/818117193.db2.gz YIKXDXKFQREJNS-ZWNOBZJWSA-N 1 0 268.313 1.236 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865819466 818200731 /nfs/dbraw/zinc/20/07/31/818200731.db2.gz KDNCXEOEUPFREI-UHFFFAOYSA-N 1 0 297.330 1.733 20 5 CDBDRO O=C1OCCN1[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000852432291 818269972 /nfs/dbraw/zinc/26/99/72/818269972.db2.gz YFIDWANNIMMYRY-CYBMUJFWSA-N 1 0 291.307 1.621 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000931039341 818332366 /nfs/dbraw/zinc/33/23/66/818332366.db2.gz QZRQXFIRCKXBHF-PWSUYJOCSA-N 1 0 264.329 1.514 20 5 CDBDRO [NH3+]CCCCc1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000843170522 818393156 /nfs/dbraw/zinc/39/31/56/818393156.db2.gz DBADBMGQVCHDEN-UHFFFAOYSA-N 1 0 276.296 1.850 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C/C=C/CO)CC2)cc1 ZINC000850509733 818471440 /nfs/dbraw/zinc/47/14/40/818471440.db2.gz RIWWASTYYCCVRL-OWOJBTEDSA-N 1 0 291.351 1.702 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701911627 818472378 /nfs/dbraw/zinc/47/23/78/818472378.db2.gz TYZJCCWWZRYLAG-SSDOTTSWSA-N 1 0 271.704 1.586 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CCC[C@@H]([NH+](C)C)CC1 ZINC000893491225 818535425 /nfs/dbraw/zinc/53/54/25/818535425.db2.gz GSLUHMSCBVMTSU-SNVBAGLBSA-N 1 0 267.333 1.249 20 5 CDBDRO CC(C)(CCC(=O)NCC[NH+]1CCCCC1)[N+](=O)[O-] ZINC000822518183 818560948 /nfs/dbraw/zinc/56/09/48/818560948.db2.gz IFAJEXQCPDQVTI-UHFFFAOYSA-N 1 0 271.361 1.424 20 5 CDBDRO C[C@H]([NH2+]CCc1ccn(C)n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815616032 818598321 /nfs/dbraw/zinc/59/83/21/818598321.db2.gz DTWPPSMLZSEJBM-JTQLQIEISA-N 1 0 289.339 1.804 20 5 CDBDRO Cc1nn(C)c(-c2nc([C@@H]([NH3+])C(C)C)no2)c1[N+](=O)[O-] ZINC000843149406 818736156 /nfs/dbraw/zinc/73/61/56/818736156.db2.gz MJLQZVMONBBFAG-ZETCQYMHSA-N 1 0 280.288 1.343 20 5 CDBDRO [NH3+]C[C@@]12CC[C@H]1CCN2c1ncc([N+](=O)[O-])cc1F ZINC000900453370 818742193 /nfs/dbraw/zinc/74/21/93/818742193.db2.gz YZYCTXPPGOLPJF-UFBFGSQYSA-N 1 0 266.276 1.447 20 5 CDBDRO Cc1ccc(N2CC[C@](O)(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000713678137 818785414 /nfs/dbraw/zinc/78/54/14/818785414.db2.gz QEBGFZWCXJLAEA-AWEZNQCLSA-N 1 0 279.340 1.406 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000886280720 818844261 /nfs/dbraw/zinc/84/42/61/818844261.db2.gz JQKORVFAEWDOFP-GHMZBOCLSA-N 1 0 263.297 1.383 20 5 CDBDRO Cc1nc([N+](=O)[O-])c(-c2noc(CC3([NH3+])CCC3)n2)n1C ZINC000843221985 818855715 /nfs/dbraw/zinc/85/57/15/818855715.db2.gz NYYWPXZUUKURSE-UHFFFAOYSA-N 1 0 292.299 1.111 20 5 CDBDRO [NH3+]CCc1noc(-c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000843131602 818966589 /nfs/dbraw/zinc/96/65/89/818966589.db2.gz XTRJPMBEWLGUJZ-UHFFFAOYSA-N 1 0 289.295 1.720 20 5 CDBDRO COc1ccc(C[NH2+]C2CCS(=O)CC2)cc1[N+](=O)[O-] ZINC000158147792 819019028 /nfs/dbraw/zinc/01/90/28/819019028.db2.gz PWWUYEUJMUMYOY-UHFFFAOYSA-N 1 0 298.364 1.604 20 5 CDBDRO CC(C)[C@H]([NH3+])CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817957330 819019711 /nfs/dbraw/zinc/01/97/11/819019711.db2.gz AYRNLWZKLSHFRO-JOYOIKCWSA-N 1 0 266.345 1.811 20 5 CDBDRO C[C@H]([NH3+])CN(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000310946699 819218134 /nfs/dbraw/zinc/21/81/34/819218134.db2.gz XUVCIOKFBXCPSR-ZETCQYMHSA-N 1 0 271.704 1.667 20 5 CDBDRO C[NH+](C)CCCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000129577995 819221577 /nfs/dbraw/zinc/22/15/77/819221577.db2.gz DFYLXWOECWRBIB-UHFFFAOYSA-N 1 0 285.731 1.930 20 5 CDBDRO COC[C@@H](NCC[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000791053882 819344545 /nfs/dbraw/zinc/34/45/45/819344545.db2.gz JNEBIABMASLZBC-LLVKDONJSA-N 1 0 260.240 1.519 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CCN1C ZINC000110732373 819359651 /nfs/dbraw/zinc/35/96/51/819359651.db2.gz GPWMGQDKGNVSFT-SECBINFHSA-N 1 0 281.287 1.510 20 5 CDBDRO COc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000921860395 819377043 /nfs/dbraw/zinc/37/70/43/819377043.db2.gz CGDKOPOOUYGGDS-UHFFFAOYSA-N 1 0 290.323 1.898 20 5 CDBDRO C[C@H]([NH2+]C[C@@H]1COCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815561841 819386164 /nfs/dbraw/zinc/38/61/64/819386164.db2.gz RAXVJPJRFOKSRM-GXSJLCMTSA-N 1 0 281.312 1.243 20 5 CDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826734800 819399423 /nfs/dbraw/zinc/39/94/23/819399423.db2.gz TUVHOOBPHYNATN-OLZOCXBDSA-N 1 0 297.399 1.907 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)C[C@H](C)[NH3+] ZINC000863569249 819510148 /nfs/dbraw/zinc/51/01/48/819510148.db2.gz SFQYHPUWIYNKJI-JTQLQIEISA-N 1 0 267.329 1.773 20 5 CDBDRO CCN(Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000886854174 819645629 /nfs/dbraw/zinc/64/56/29/819645629.db2.gz DLHCDKJIDWSHOP-SNVBAGLBSA-N 1 0 267.304 1.918 20 5 CDBDRO C[NH+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000837239294 819759346 /nfs/dbraw/zinc/75/93/46/819759346.db2.gz ONYFLTCICYPNKU-UHFFFAOYSA-N 1 0 298.318 1.386 20 5 CDBDRO CC[C@H](CO)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000931765119 819801283 /nfs/dbraw/zinc/80/12/83/819801283.db2.gz CJJCBAMVZUQVRT-SNVBAGLBSA-N 1 0 254.286 1.334 20 5 CDBDRO C[C@]1(c2nc(Cc3ccccc3[N+](=O)[O-])no2)CC[NH2+]C1 ZINC000843170627 819811541 /nfs/dbraw/zinc/81/15/41/819811541.db2.gz IGXVPBBRBJYZQQ-AWEZNQCLSA-N 1 0 288.307 1.820 20 5 CDBDRO O=C(CC[NH2+]CC1CC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000717165061 819886373 /nfs/dbraw/zinc/88/63/73/819886373.db2.gz KYKGNZHLTJAKRZ-UHFFFAOYSA-N 1 0 277.324 1.601 20 5 CDBDRO COC[C@H](O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000230155827 819898140 /nfs/dbraw/zinc/89/81/40/819898140.db2.gz SLGGZTIMHGEBOD-GFCCVEGCSA-N 1 0 268.313 1.390 20 5 CDBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840264773 819899625 /nfs/dbraw/zinc/89/96/25/819899625.db2.gz YPRNKNMMOFSWFU-ZYHUDNBSSA-N 1 0 293.323 1.361 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)C[NH3+] ZINC000876786414 820016961 /nfs/dbraw/zinc/01/69/61/820016961.db2.gz HFPHOUZGAGFTHY-MRVPVSSYSA-N 1 0 265.313 1.536 20 5 CDBDRO CNc1ccc(C(=O)OCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000789945678 820071024 /nfs/dbraw/zinc/07/10/24/820071024.db2.gz OBSZJVCWUCUQDA-UHFFFAOYSA-N 1 0 281.312 1.745 20 5 CDBDRO [NH3+][C@@H]1C[C@@H]1c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000823069892 820312141 /nfs/dbraw/zinc/31/21/41/820312141.db2.gz WDPNLGWLKQSUJJ-CRCLSJGQSA-N 1 0 252.255 1.521 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000852815539 820715543 /nfs/dbraw/zinc/71/55/43/820715543.db2.gz WGSGLGRJFIFNMH-CMPLNLGQSA-N 1 0 297.742 1.992 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000088147683 820839584 /nfs/dbraw/zinc/83/95/84/820839584.db2.gz WRKKUDPPSDXGGO-FOSCPWQOSA-N 1 0 289.335 1.916 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCCCO2)cc1 ZINC000105908934 820852532 /nfs/dbraw/zinc/85/25/32/820852532.db2.gz XVOQBADYVQEFKN-UONOGXRCSA-N 1 0 280.324 1.787 20 5 CDBDRO CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000923359145 820859794 /nfs/dbraw/zinc/85/97/94/820859794.db2.gz OBOFEXRTUUUQBU-KGLIPLIRSA-N 1 0 279.340 1.297 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818015249 820873507 /nfs/dbraw/zinc/87/35/07/820873507.db2.gz MVQSWWPMTLDBJU-CQSZACIVSA-N 1 0 275.308 1.563 20 5 CDBDRO C[C@H](O)CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000227710848 820992198 /nfs/dbraw/zinc/99/21/98/820992198.db2.gz KLYRQNLSYSFKDC-GWCFXTLKSA-N 1 0 268.313 1.379 20 5 CDBDRO CC[N@@H+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000796316660 821204569 /nfs/dbraw/zinc/20/45/69/821204569.db2.gz NUNIAIPEVZWOBU-IUODEOHRSA-N 1 0 293.367 1.654 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1C[C@H](O)C1 ZINC000873177498 821247776 /nfs/dbraw/zinc/24/77/76/821247776.db2.gz PTOGYRIVWIUSMC-KWSYRDCBSA-N 1 0 262.309 1.969 20 5 CDBDRO C[C@H]([NH2+][C@@H](CCO)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815594711 821314616 /nfs/dbraw/zinc/31/46/16/821314616.db2.gz WLFPBNMNBVFUGR-ZANVPECISA-N 1 0 279.340 1.989 20 5 CDBDRO C[NH+](C)Cc1ccc(-c2noc([C@@H]3CC3[N+](=O)[O-])n2)cc1 ZINC000841737144 821792380 /nfs/dbraw/zinc/79/23/80/821792380.db2.gz BVOCPYPLRDVPAD-VXGBXAGGSA-N 1 0 288.307 1.931 20 5 CDBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132558783 821810367 /nfs/dbraw/zinc/81/03/67/821810367.db2.gz PNWIRUSNOFQFCG-FOSCPWQOSA-N 1 0 293.298 1.747 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831217853 821897923 /nfs/dbraw/zinc/89/79/23/821897923.db2.gz MMCYLIYGSBYZNW-LDYMZIIASA-N 1 0 297.742 1.862 20 5 CDBDRO C[C@H](N[C@H]1CC[NH2+][C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817970801 821973320 /nfs/dbraw/zinc/97/33/20/821973320.db2.gz FIXSVFJBZJDATD-SCVCMEIPSA-N 1 0 278.356 1.968 20 5 CDBDRO CC1(C)OC[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])O1 ZINC000230212359 822028535 /nfs/dbraw/zinc/02/85/35/822028535.db2.gz WMTNWJDSELPQAG-NSHDSACASA-N 1 0 266.297 1.836 20 5 CDBDRO Cc1cccc(N2CC[C@@H](N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000261744929 822045662 /nfs/dbraw/zinc/04/56/62/822045662.db2.gz SLLXAUXEFNRGPZ-CYBMUJFWSA-N 1 0 290.367 1.387 20 5 CDBDRO CC(C)CNC(=O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040676133 1167010287 /nfs/dbraw/zinc/01/02/87/1167010287.db2.gz HFYLQXFGUFLSHG-UHFFFAOYSA-N 1 0 279.340 1.499 20 5 CDBDRO C[C@@H]([NH2+][C@H]1CCN(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815576564 822095026 /nfs/dbraw/zinc/09/50/26/822095026.db2.gz SUOJCBMBYIRXGR-KOLCDFICSA-N 1 0 264.329 1.532 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000882485813 822238380 /nfs/dbraw/zinc/23/83/80/822238380.db2.gz WPZMVMJEXMNGBG-GFCCVEGCSA-N 1 0 277.324 1.727 20 5 CDBDRO CCC1([NH+]2CCC2)CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000884718857 822333076 /nfs/dbraw/zinc/33/30/76/822333076.db2.gz RQFFDLXEQLLIEV-UHFFFAOYSA-N 1 0 293.371 1.783 20 5 CDBDRO C[C@@H](NC[C@@H]1C[NH2+]CCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817981250 822379843 /nfs/dbraw/zinc/37/98/43/822379843.db2.gz HWPPXWBECUGENA-PWSUYJOCSA-N 1 0 294.355 1.206 20 5 CDBDRO CC[NH+](CC)CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822121801 822566462 /nfs/dbraw/zinc/56/64/62/822566462.db2.gz LGDJLNNBKPAVIV-UHFFFAOYSA-N 1 0 259.350 1.280 20 5 CDBDRO CC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)OCCO1 ZINC000877118293 822575012 /nfs/dbraw/zinc/57/50/12/822575012.db2.gz VDEXKLDADIIJNU-UHFFFAOYSA-N 1 0 266.297 1.490 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001155410796 1167163076 /nfs/dbraw/zinc/16/30/76/1167163076.db2.gz MXRFYGSEUATRMW-CMPLNLGQSA-N 1 0 263.301 1.269 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC001173217029 912301715 /nfs/dbraw/zinc/30/17/15/912301715.db2.gz KNDFBFLVMTWKDU-AAEUAGOBSA-N 1 0 291.351 1.594 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](O)C[C@H]1C ZINC001173225267 912315903 /nfs/dbraw/zinc/31/59/03/912315903.db2.gz JCESUBRVLGZMMD-MISXGVKJSA-N 1 0 264.325 1.981 20 5 CDBDRO CNC(=O)[C@H](C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173234773 912326010 /nfs/dbraw/zinc/32/60/10/912326010.db2.gz PXIUXUFYNLHXLF-ZJUUUORDSA-N 1 0 265.313 1.250 20 5 CDBDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173233949 912326043 /nfs/dbraw/zinc/32/60/43/912326043.db2.gz LZKPDLQVKAQDAO-FZMZJTMJSA-N 1 0 291.351 1.736 20 5 CDBDRO C[NH2+]Cc1c(C)nn(-c2ccc([N+](=O)[O-])c(C)n2)c1C ZINC001167098200 894489443 /nfs/dbraw/zinc/48/94/43/894489443.db2.gz GUPCGYXOYBHWJM-UHFFFAOYSA-N 1 0 275.312 1.820 20 5 CDBDRO C[C@H]1COC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000699772557 914245287 /nfs/dbraw/zinc/24/52/87/914245287.db2.gz DOFRFDCEMHLFPR-GZMMTYOYSA-N 1 0 254.261 1.858 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H](C)[NH3+] ZINC000310862369 898551887 /nfs/dbraw/zinc/55/18/87/898551887.db2.gz CWXKPYGCVVQZHE-VIFPVBQESA-N 1 0 251.286 1.322 20 5 CDBDRO C[NH+](C)CCO[C@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001206286713 914314292 /nfs/dbraw/zinc/31/42/92/914314292.db2.gz NNKSMZZORKJIIP-CYBMUJFWSA-N 1 0 282.296 1.311 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(O[C@H]2CC[N@H+](C)C2)c1 ZINC001226442399 905189005 /nfs/dbraw/zinc/18/90/05/905189005.db2.gz BAHNBYSDJWDPET-JTQLQIEISA-N 1 0 252.270 1.686 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233083 907112554 /nfs/dbraw/zinc/11/25/54/907112554.db2.gz KPSJEXKLMUHBCK-LURJTMIESA-N 1 0 272.692 1.717 20 5 CDBDRO Cc1ccc(Cn2cc(CC[NH3+])nn2)cc1[N+](=O)[O-] ZINC000714049719 909671469 /nfs/dbraw/zinc/67/14/69/909671469.db2.gz VPNDAZKSIVDWIP-UHFFFAOYSA-N 1 0 261.285 1.044 20 5 CDBDRO Cc1cccc(NC(=[NH2+])N2CCN(C)CC2)c1[N+](=O)[O-] ZINC001168735722 921851819 /nfs/dbraw/zinc/85/18/19/921851819.db2.gz FXZHALWPPISNGV-UHFFFAOYSA-N 1 0 277.328 1.497 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[C@H]([NH3+])C1 ZINC001162384681 922439043 /nfs/dbraw/zinc/43/90/43/922439043.db2.gz IJFDDQLGZHNOCM-IUCAKERBSA-N 1 0 266.301 1.680 20 5 CDBDRO C[N@@H+]1CC[C@](O)(CNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000702594023 922569168 /nfs/dbraw/zinc/56/91/68/922569168.db2.gz RYIQWTZPWKTVQU-ZDUSSCGKSA-N 1 0 299.758 1.404 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N[C@H](C)C[NH+](C)C ZINC001163776821 924202537 /nfs/dbraw/zinc/20/25/37/924202537.db2.gz MGNYDNHRRREXFO-SECBINFHSA-N 1 0 281.312 1.743 20 5 CDBDRO CCCCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001195769785 924713612 /nfs/dbraw/zinc/71/36/12/924713612.db2.gz NJVQIDHDZCFWJK-CHWSQXEVSA-N 1 0 283.372 1.376 20 5 CDBDRO COc1cc(C)nc(N[C@@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001154984043 926294522 /nfs/dbraw/zinc/29/45/22/926294522.db2.gz DHYUNYMYVRVZCH-NXEZZACHSA-N 1 0 280.328 1.989 20 5 CDBDRO COc1cc(C)nc(N[C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001154984044 926296276 /nfs/dbraw/zinc/29/62/76/926296276.db2.gz DHYUNYMYVRVZCH-UWVGGRQHSA-N 1 0 280.328 1.989 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1N(CC[NH3+])c1cccnc1 ZINC001168829908 927477026 /nfs/dbraw/zinc/47/70/26/927477026.db2.gz DQMBSBHWHJKGRF-UHFFFAOYSA-N 1 0 288.311 1.523 20 5 CDBDRO [NH3+][C@@H]1CCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001156228703 927510251 /nfs/dbraw/zinc/51/02/51/927510251.db2.gz LAMNPAYJYLFXMK-SSDOTTSWSA-N 1 0 293.714 1.729 20 5 CDBDRO CC(C)(C)c1cnc(-n2cc(CC[NH3+])cn2)c([N+](=O)[O-])c1 ZINC001168948328 927553690 /nfs/dbraw/zinc/55/36/90/927553690.db2.gz MLFPYMHUOIYYOX-UHFFFAOYSA-N 1 0 289.339 1.974 20 5 CDBDRO [NH3+][C@@H]1CCc2nn([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)cc2C1 ZINC001168977801 927564880 /nfs/dbraw/zinc/56/48/80/927564880.db2.gz MAWKHRDUNKGEIF-YUSALJHKSA-N 1 0 264.329 1.317 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(c3ncccn3)C2)C1 ZINC001168956332 927576935 /nfs/dbraw/zinc/57/69/35/927576935.db2.gz DQTIZPZAYSJKAX-FRRDWIJNSA-N 1 0 291.355 1.090 20 5 CDBDRO C[C@@]1(O)CC[C@@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168960604 927580169 /nfs/dbraw/zinc/58/01/69/927580169.db2.gz FSDDBPPQPJNWCH-FDYHWXHSSA-N 1 0 256.346 1.715 20 5 CDBDRO Cn1cc2c(n1)[C@H](C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)OCC2 ZINC001168964689 927587257 /nfs/dbraw/zinc/58/72/57/927587257.db2.gz VHORXTZLLBMDHL-DRZSPHRISA-N 1 0 294.355 1.069 20 5 CDBDRO O=C(NCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168965840 927588641 /nfs/dbraw/zinc/58/86/41/927588641.db2.gz CPLLYEPMCLMLKE-TZMCWYRMSA-N 1 0 291.351 1.451 20 5 CDBDRO CCN1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168968146 927591159 /nfs/dbraw/zinc/59/11/59/927591159.db2.gz WQDHTECYIXUZBT-DGCLKSJQSA-N 1 0 255.362 1.506 20 5 CDBDRO NC(=O)c1ccccc1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968502 927592521 /nfs/dbraw/zinc/59/25/21/927592521.db2.gz ZRDFUPCHYOQNKG-ZYHUDNBSSA-N 1 0 277.324 1.321 20 5 CDBDRO O=c1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c[nH]1 ZINC001168970367 927593804 /nfs/dbraw/zinc/59/38/04/927593804.db2.gz GZFHDUKATQOFMT-MWLCHTKSSA-N 1 0 251.286 1.322 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(CCO)c2)C1 ZINC001168996593 927603681 /nfs/dbraw/zinc/60/36/81/927603681.db2.gz WJEXPYSBKVAIGQ-HUUCEWRRSA-N 1 0 278.352 1.756 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccncc2)C1 ZINC001169001921 927606282 /nfs/dbraw/zinc/60/62/82/927606282.db2.gz IOPNOGHYOAQXSB-RTXFEEFZSA-N 1 0 265.313 1.150 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+](CCO)Cc2ccccc2)C1 ZINC001169009467 927613866 /nfs/dbraw/zinc/61/38/66/927613866.db2.gz WJZHYKWITMVHLX-HUUCEWRRSA-N 1 0 278.352 1.926 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H](N2CCn3ccnc3C2)C1 ZINC001169010091 927614432 /nfs/dbraw/zinc/61/44/32/927614432.db2.gz ATVOYGJUGYPCDU-WDEREUQCSA-N 1 0 250.302 1.144 20 5 CDBDRO C[C@]1(CO)CC(F)(F)CN1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169010269 927614909 /nfs/dbraw/zinc/61/49/09/927614909.db2.gz BZYZDPHCOMTLPU-OUAUKWLOSA-N 1 0 278.299 1.524 20 5 CDBDRO C[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@]1(C)O ZINC001169010919 927617628 /nfs/dbraw/zinc/61/76/28/927617628.db2.gz GEAZCCMZVDQICX-NDBYEHHHSA-N 1 0 256.346 1.525 20 5 CDBDRO CC1(C)C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@](C)(CO)C1 ZINC001169014011 927619287 /nfs/dbraw/zinc/61/92/87/927619287.db2.gz XTAGSYIFPIRGCC-OUCADQQQSA-N 1 0 270.373 1.915 20 5 CDBDRO [NH3+]C[C@@H]1COc2ccccc2N1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168988147 927624273 /nfs/dbraw/zinc/62/42/73/927624273.db2.gz OKLDMYZOMOHWAA-JHJVBQTASA-N 1 0 291.351 1.658 20 5 CDBDRO CCOc1nccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168990004 927629382 /nfs/dbraw/zinc/62/93/82/927629382.db2.gz ALYBHCOPUHLMFH-WDEREUQCSA-N 1 0 280.328 1.410 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](n3cncn3)C2)C1 ZINC001169034199 927641977 /nfs/dbraw/zinc/64/19/77/927641977.db2.gz FXEPGWYDTKJOGP-FRRDWIJNSA-N 1 0 279.344 1.360 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCc3ccncc3C2)C1 ZINC001169037989 927646782 /nfs/dbraw/zinc/64/67/82/927646782.db2.gz UUOUXVYFWJIMBA-FZMZJTMJSA-N 1 0 261.325 1.885 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCc3ccncc3C2)C1 ZINC001169037991 927647494 /nfs/dbraw/zinc/64/74/94/927647494.db2.gz UUOUXVYFWJIMBA-SMDDNHRTSA-N 1 0 261.325 1.885 20 5 CDBDRO CC[N@H+](CCn1cccn1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039070 927649392 /nfs/dbraw/zinc/64/93/92/927649392.db2.gz MWVVHUFGHFXRMJ-QWHCGFSZSA-N 1 0 266.345 1.650 20 5 CDBDRO C[N@H+](CCN1CCCC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039830 927653130 /nfs/dbraw/zinc/65/31/30/927653130.db2.gz UPXPTCALFROYDR-CHWSQXEVSA-N 1 0 255.362 1.459 20 5 CDBDRO O=C(C1CCC1)N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169040211 927654353 /nfs/dbraw/zinc/65/43/53/927654353.db2.gz YUSJKOFVBKWTKO-GXTWGEPZSA-N 1 0 295.383 1.376 20 5 CDBDRO CN1CC2(C1)CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169044648 927656653 /nfs/dbraw/zinc/65/66/53/927656653.db2.gz INCHBZCYXBWOSD-NWDGAFQWSA-N 1 0 253.346 1.069 20 5 CDBDRO CC(C)N(C)[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169047014 927665357 /nfs/dbraw/zinc/66/53/57/927665357.db2.gz PPHXOYRABKPQQF-HZSPNIEDSA-N 1 0 269.389 1.846 20 5 CDBDRO CCC(=O)N(C)C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169054256 927672716 /nfs/dbraw/zinc/67/27/16/927672716.db2.gz LIVHFSIPDRAHNE-JSGCOSHPSA-N 1 0 297.399 1.765 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@]3(CCOC3)C2)cc1 ZINC000776590398 927778873 /nfs/dbraw/zinc/77/88/73/927778873.db2.gz DFRRDJSHYHWWDV-LSDHHAIUSA-N 1 0 292.335 1.741 20 5 CDBDRO CCCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000783911855 937286125 /nfs/dbraw/zinc/28/61/25/937286125.db2.gz QWSBCRMJHRTGNQ-UHFFFAOYSA-N 1 0 286.353 1.758 20 5 CDBDRO CO[C@@]1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCOC1 ZINC000788753032 929587221 /nfs/dbraw/zinc/58/72/21/929587221.db2.gz YRFMDGDOFSUYFC-QMTHXVAHSA-N 1 0 295.339 1.633 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(N[C@@H]2C[NH2+]C[C@H]2CO)c1 ZINC001170781140 929967799 /nfs/dbraw/zinc/96/77/99/929967799.db2.gz PULULYWLHJPWTM-WRWORJQWSA-N 1 0 271.704 1.240 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H]2C[NH2+]C[C@@H]2CO)c2ccncc21 ZINC001170782992 929988282 /nfs/dbraw/zinc/98/82/82/929988282.db2.gz WXKKXFZBINYJBB-NOZJJQNGSA-N 1 0 288.307 1.135 20 5 CDBDRO COc1c(F)cc(NCC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001170891410 930684926 /nfs/dbraw/zinc/68/49/26/930684926.db2.gz WNZXAVGTJSOTQJ-SSDOTTSWSA-N 1 0 257.265 1.892 20 5 CDBDRO CCN(CCOc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000886854675 930975140 /nfs/dbraw/zinc/97/51/40/930975140.db2.gz XRDZSRJSUURVOX-GFCCVEGCSA-N 1 0 279.340 1.657 20 5 CDBDRO COCCC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001154021344 937493092 /nfs/dbraw/zinc/49/30/92/937493092.db2.gz IKOBVSIWTHXXIU-UHFFFAOYSA-N 1 0 295.339 1.227 20 5 CDBDRO CC[NH+](CC)C[C@H](C)Nc1c(C)cncc1[N+](=O)[O-] ZINC001117248445 937504161 /nfs/dbraw/zinc/50/41/61/937504161.db2.gz GKZLRDGINLAEKU-NSHDSACASA-N 1 0 266.345 1.862 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000843452428 931482960 /nfs/dbraw/zinc/48/29/60/931482960.db2.gz JJWVXZPIEJHUOI-UHFFFAOYSA-N 1 0 296.283 1.103 20 5 CDBDRO CC[C@]1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]C1 ZINC001118082070 937588180 /nfs/dbraw/zinc/58/81/80/937588180.db2.gz MDGWMCRCUWFARI-HNNXBMFYSA-N 1 0 289.335 1.827 20 5 CDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CC[NH2+][C@@H]1C ZINC001155188157 937646405 /nfs/dbraw/zinc/64/64/05/937646405.db2.gz SWEZGHQULDYEKG-LDYMZIIASA-N 1 0 294.311 1.329 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC001118788360 937667013 /nfs/dbraw/zinc/66/70/13/937667013.db2.gz IAJCRDQGIZKSEJ-MRVPVSSYSA-N 1 0 284.291 1.711 20 5 CDBDRO O=C(N[C@H]1CC[NH2+]C1)c1ccnc2c1ccc1cccnc12 ZINC001155817708 937677314 /nfs/dbraw/zinc/67/73/14/937677314.db2.gz MVRJGQSGDNRYMQ-LBPRGKRZSA-N 1 0 292.342 1.875 20 5 CDBDRO CCO[C@H]1C[C@H]([NH2+]CC[N+](=O)[O-])C12CCCCC2 ZINC001119852150 937760282 /nfs/dbraw/zinc/76/02/82/937760282.db2.gz RESHKWRCOKBNSO-RYUDHWBXSA-N 1 0 256.346 1.981 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@]1(C)CC[NH2+]C1 ZINC001122079071 937904151 /nfs/dbraw/zinc/90/41/51/937904151.db2.gz GMLWAWUSUDVCTP-CYBMUJFWSA-N 1 0 295.364 1.799 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH2+]C2CC2)c1 ZINC001122086667 937904524 /nfs/dbraw/zinc/90/45/24/937904524.db2.gz XJJWIDYHHADBKG-UHFFFAOYSA-N 1 0 293.323 1.475 20 5 CDBDRO O=C(CC1CC1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001122533260 937940078 /nfs/dbraw/zinc/94/00/78/937940078.db2.gz XKCINCKRCOJYJW-UHFFFAOYSA-N 1 0 277.324 1.601 20 5 CDBDRO C[N@@H+]1CC[C@H](Nc2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001156575963 938387629 /nfs/dbraw/zinc/38/76/29/938387629.db2.gz PQLHPHXWLZHUBW-ZETCQYMHSA-N 1 0 256.693 1.759 20 5 CDBDRO CCOC(=O)c1ccnc(-n2cccc2C[NH3+])c1[N+](=O)[O-] ZINC001156730826 938411251 /nfs/dbraw/zinc/41/12/51/938411251.db2.gz PPXGSTKHWGBNHD-UHFFFAOYSA-N 1 0 290.279 1.416 20 5 CDBDRO O=[N+]([O-])c1cc2ccccc2nc1N1C[C@@H]2C[NH2+][C@@H]2C1 ZINC001157623198 938522216 /nfs/dbraw/zinc/52/22/16/938522216.db2.gz IQMRFIGIMLIBQL-CMPLNLGQSA-N 1 0 270.292 1.551 20 5 CDBDRO [NH3+][C@@H]1CCc2nn(-c3ncc([N+](=O)[O-])cc3F)cc2C1 ZINC001157990561 938572675 /nfs/dbraw/zinc/57/26/75/938572675.db2.gz UWVDEJHEQKRGKR-MRVPVSSYSA-N 1 0 277.259 1.131 20 5 CDBDRO Cc1cnc(C[NH3+])n1-c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001158167303 938589630 /nfs/dbraw/zinc/58/96/30/938589630.db2.gz SKNSJNHYYGXYJA-UHFFFAOYSA-N 1 0 272.268 1.424 20 5 CDBDRO C[C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)n2)C[C@@H](C)[NH2+]1 ZINC001158172208 938589932 /nfs/dbraw/zinc/58/99/32/938589932.db2.gz CBFOVXITFZFOEN-HTQZYQBOSA-N 1 0 270.720 1.830 20 5 CDBDRO O=[N+]([O-])c1cccc(NCc2ncn3c2C[NH2+]CCC3)n1 ZINC001158356660 938614283 /nfs/dbraw/zinc/61/42/83/938614283.db2.gz XWLXUDWCCLAYKJ-UHFFFAOYSA-N 1 0 288.311 1.292 20 5 CDBDRO CC(C)[N@@H+]1CCN(c2nc(Cl)ncc2[N+](=O)[O-])C[C@@H]1C ZINC001158493914 938629948 /nfs/dbraw/zinc/62/99/48/938629948.db2.gz RFOXASZMYOMIHA-VIFPVBQESA-N 1 0 299.762 1.957 20 5 CDBDRO Cc1cnc(N2CCC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001158675836 938649487 /nfs/dbraw/zinc/64/94/87/938649487.db2.gz UINUYCFTQNLMMM-CYBMUJFWSA-N 1 0 264.329 1.863 20 5 CDBDRO COc1cc2ncnc(-n3ccc(C[NH3+])c3)c2cc1[N+](=O)[O-] ZINC001158766894 938661741 /nfs/dbraw/zinc/66/17/41/938661741.db2.gz PBPCPTQVXIQRPK-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001159677620 938744662 /nfs/dbraw/zinc/74/46/62/938744662.db2.gz LGDNPCVSSGTBHH-PWSUYJOCSA-N 1 0 288.307 1.135 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(NC[C@H]2CCCC[NH2+]2)c1 ZINC001160147912 938771302 /nfs/dbraw/zinc/77/13/02/938771302.db2.gz MFNHOKUEOYEMOT-MRVPVSSYSA-N 1 0 286.719 1.436 20 5 CDBDRO C[NH+](C)CCOc1cc(NCC2COC2)ccc1[N+](=O)[O-] ZINC001161951404 938947742 /nfs/dbraw/zinc/94/77/42/938947742.db2.gz ODVCBOXZZJRFMP-UHFFFAOYSA-N 1 0 295.339 1.594 20 5 CDBDRO CC(C)(C)[NH+]1CC(Nc2ccc([N+](=O)[O-])c(N)n2)C1 ZINC001162226953 938966192 /nfs/dbraw/zinc/96/61/92/938966192.db2.gz ZETVQPPRRWXCSN-UHFFFAOYSA-N 1 0 265.317 1.467 20 5 CDBDRO COc1nc(N[C@@]2(C)CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC001162340520 939029327 /nfs/dbraw/zinc/02/93/27/939029327.db2.gz DDHTXGQIRLBDRW-ZDUSSCGKSA-N 1 0 280.328 1.895 20 5 CDBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cnc([N+](=O)[O-])cn1 ZINC001162467094 939062200 /nfs/dbraw/zinc/06/22/00/939062200.db2.gz PFZIIYTZEAQPAA-NXEZZACHSA-N 1 0 265.317 1.432 20 5 CDBDRO O=[N+]([O-])c1nccnc1NC[C@]1(F)CCCC[NH2+]C1 ZINC001162573621 939090957 /nfs/dbraw/zinc/09/09/57/939090957.db2.gz SCOLVRDOOWQSME-NSHDSACASA-N 1 0 269.280 1.279 20 5 CDBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1-n1nccc1C[NH3+] ZINC001162597373 939098833 /nfs/dbraw/zinc/09/88/33/939098833.db2.gz MHDGEFDFJBGQNN-UHFFFAOYSA-N 1 0 290.279 1.334 20 5 CDBDRO O=[N+]([O-])c1ccc2ncc(N[C@@H]3C=C[C@H]4C[NH2+]C[C@@H]43)nc2c1 ZINC001162789679 939139968 /nfs/dbraw/zinc/13/99/68/939139968.db2.gz JZRMVVMAXXFSKX-ZMLRMANQSA-N 1 0 297.318 1.724 20 5 CDBDRO Cc1c(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)cc(F)cc1[N+](=O)[O-] ZINC001163342558 939251450 /nfs/dbraw/zinc/25/14/50/939251450.db2.gz UBBRNMSNXADPTQ-CDMKHQONSA-N 1 0 281.287 1.584 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](Nc2cc([N+](=O)[O-])cc[n+]2[O-])[C@H](C)C1 ZINC001163357881 939256848 /nfs/dbraw/zinc/25/68/48/939256848.db2.gz NDRYZCAXBOFRTA-DGCLKSJQSA-N 1 0 294.355 1.759 20 5 CDBDRO C[NH+](C)C1CN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)C1 ZINC001163940886 939358753 /nfs/dbraw/zinc/35/87/53/939358753.db2.gz YULKDMXVJFPAAQ-UHFFFAOYSA-N 1 0 299.334 1.802 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H](C)CC[C@H]2C[NH3+])n1 ZINC001164070876 939405220 /nfs/dbraw/zinc/40/52/20/939405220.db2.gz POWGUNKLKGXDQF-APPZFPTMSA-N 1 0 299.762 1.910 20 5 CDBDRO C[NH+](C)C1(C)CN(c2cnc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001165116507 939512122 /nfs/dbraw/zinc/51/21/22/939512122.db2.gz FHWPRWKTMKMMSW-UHFFFAOYSA-N 1 0 287.323 1.678 20 5 CDBDRO COc1nc(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001165182520 939521264 /nfs/dbraw/zinc/52/12/64/939521264.db2.gz VJTXNLRKFKVFKO-HZMBPMFUSA-N 1 0 292.339 1.386 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC([N@@H+](C)[C@@H]2CCOC2)C1 ZINC001165204261 939524172 /nfs/dbraw/zinc/52/41/72/939524172.db2.gz YMPITDPWWPYDDH-LLVKDONJSA-N 1 0 292.339 1.208 20 5 CDBDRO [NH3+][C@@]12C[C@@H]1CCN(c1ncnc3cccc([N+](=O)[O-])c31)C2 ZINC001165329527 939546623 /nfs/dbraw/zinc/54/66/23/939546623.db2.gz QOZCZYZNWBBRNG-LKFCYVNXSA-N 1 0 285.307 1.466 20 5 CDBDRO Cc1nc2c(n1-c1ncc(F)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC001165351352 939549939 /nfs/dbraw/zinc/54/99/39/939549939.db2.gz BUVZNNNGPPJOBV-UHFFFAOYSA-N 1 0 291.286 1.311 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2CCC(C3C[NH2+]C3)CC2)n1 ZINC001165410433 939560440 /nfs/dbraw/zinc/56/04/40/939560440.db2.gz GTJNWGCQIFFFAZ-UHFFFAOYSA-N 1 0 277.328 1.129 20 5 CDBDRO CN(c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)C(C)(C)C ZINC001166528234 939610271 /nfs/dbraw/zinc/61/02/71/939610271.db2.gz LMFZSCTUCWLPEX-UHFFFAOYSA-N 1 0 265.317 1.306 20 5 CDBDRO [NH3+][C@@H]1CN(c2cc(Cl)cc([N+](=O)[O-])n2)C[C@@H]1F ZINC001166928655 939651115 /nfs/dbraw/zinc/65/11/15/939651115.db2.gz JSMHWAKQFTXUDE-NKWVEPMBSA-N 1 0 260.656 1.129 20 5 CDBDRO [NH3+]C[C@H]1CN(c2ccc3ccc([N+](=O)[O-])cc3n2)CCO1 ZINC001166938441 939654044 /nfs/dbraw/zinc/65/40/44/939654044.db2.gz XTHWYBSDNDMTGU-LBPRGKRZSA-N 1 0 288.307 1.307 20 5 CDBDRO Cc1c(C)c(N2CC[C@H]([NH3+])C(F)(F)C2)ncc1[N+](=O)[O-] ZINC001166959560 939660246 /nfs/dbraw/zinc/66/02/46/939660246.db2.gz ZOSWXEPECWHGFO-JTQLQIEISA-N 1 0 286.282 1.779 20 5 CDBDRO Cc1cccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001204668767 939784520 /nfs/dbraw/zinc/78/45/20/939784520.db2.gz XYDVRJGISKVSCU-CQSZACIVSA-N 1 0 266.361 1.495 20 5 CDBDRO C[C@@H](OCCC[NH3+])c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001217833834 941022219 /nfs/dbraw/zinc/02/22/19/941022219.db2.gz POFMODBHRHQOPN-MRVPVSSYSA-N 1 0 268.269 1.750 20 5 CDBDRO O=[N+]([O-])c1cc(CO[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC001217856584 941024125 /nfs/dbraw/zinc/02/41/25/941024125.db2.gz MIWSYMWUJJJVPX-LBPRGKRZSA-N 1 0 281.268 1.772 20 5 CDBDRO O=[N+]([O-])C[C@@H](OC[C@H]1CCC[NH2+]C1)c1cccnc1 ZINC001217867099 941025580 /nfs/dbraw/zinc/02/55/80/941025580.db2.gz XPVHTOHMPWTNDG-WCQYABFASA-N 1 0 265.313 1.416 20 5 CDBDRO Nc1ccc(O[C@H]2CC[NH2+]CC[C@H]2F)cc1[N+](=O)[O-] ZINC001218026876 941036302 /nfs/dbraw/zinc/03/63/02/941036302.db2.gz WAWHFIHWSWXLSJ-SKDRFNHKSA-N 1 0 269.276 1.646 20 5 CDBDRO O=[N+]([O-])c1cc2nc(O[C@H]3CC[NH2+]C3)[nH]c2cc1Cl ZINC001218182950 941042676 /nfs/dbraw/zinc/04/26/76/941042676.db2.gz HOFMNOOLLPETIQ-LURJTMIESA-N 1 0 282.687 1.865 20 5 CDBDRO COC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1CCC[NH2+]C1 ZINC001218281224 941050662 /nfs/dbraw/zinc/05/06/62/941050662.db2.gz BDPFVBYRQHBLPK-VIFPVBQESA-N 1 0 280.280 1.512 20 5 CDBDRO O=[N+]([O-])c1cc(F)cc([N+](=O)[O-])c1O[C@H]1CCC[NH2+]C1 ZINC001218278950 941050780 /nfs/dbraw/zinc/05/07/80/941050780.db2.gz KTHUQCUGPWLGTH-QMMMGPOBSA-N 1 0 285.231 1.773 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)C2CCC2)cc1 ZINC000316240831 941478201 /nfs/dbraw/zinc/47/82/01/941478201.db2.gz DTOCFQRKFAXBII-KGLIPLIRSA-N 1 0 280.324 1.379 20 5 CDBDRO COC(=O)c1c(CO[C@@H]2CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC001223293402 941667730 /nfs/dbraw/zinc/66/77/30/941667730.db2.gz OAYJDEFKAPWICT-LLVKDONJSA-N 1 0 294.307 1.602 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1CO[C@@H]1CC[N@H+](C)C1 ZINC001223942730 941708501 /nfs/dbraw/zinc/70/85/01/941708501.db2.gz CCQFQDXSAREDTK-GFCCVEGCSA-N 1 0 266.297 1.824 20 5 CDBDRO COC(=O)c1ncc2n1CCC[C@H]2OCCC[N+](C)(C)C ZINC001224620796 941777249 /nfs/dbraw/zinc/77/72/49/941777249.db2.gz DVEJZVHCVFPQEL-CYBMUJFWSA-N 1 0 296.391 1.618 20 5 CDBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](OCC[N+](C)(C)C)[C@H]2C1 ZINC001224775443 941790230 /nfs/dbraw/zinc/79/02/30/941790230.db2.gz KUJHSNFSYCWCOI-IHRRRGAJSA-N 1 0 299.435 1.965 20 5 CDBDRO Cc1cc(OC[C@H]2CN(C)CCO2)ncc1[N+](=O)[O-] ZINC001225661302 941894850 /nfs/dbraw/zinc/89/48/50/941894850.db2.gz JPSJEMNIIBOXFX-SNVBAGLBSA-N 1 0 267.285 1.008 20 5 CDBDRO Cc1cc(OC[C@@H]2CN(C)CCO2)ncc1[N+](=O)[O-] ZINC001225661295 941895199 /nfs/dbraw/zinc/89/51/99/941895199.db2.gz JPSJEMNIIBOXFX-JTQLQIEISA-N 1 0 267.285 1.008 20 5 CDBDRO CCOC(=O)c1c[nH]c(=O)cc1O[C@@H](C)C[N+](C)(C)C ZINC001225822416 941917245 /nfs/dbraw/zinc/91/72/45/941917245.db2.gz PGRIDOPUPIIDNU-JTQLQIEISA-O 1 0 283.348 1.437 20 5 CDBDRO CC[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226173714 941963101 /nfs/dbraw/zinc/96/31/01/941963101.db2.gz VFHBZIWGTVUVTR-NSHDSACASA-N 1 0 293.323 1.557 20 5 CDBDRO CCOC(=O)c1cncnc1O[C@@H](C)C[N+](C)(C)C ZINC001226552185 942024651 /nfs/dbraw/zinc/02/46/51/942024651.db2.gz UUAZKMIBJZDZMC-JTQLQIEISA-N 1 0 268.337 1.127 20 5 CDBDRO Cc1ccc(O[C@H]2CCc3nccn3C2)c([N+](=O)[O-])n1 ZINC001227224591 942153574 /nfs/dbraw/zinc/15/35/74/942153574.db2.gz WLSLLGDBAGAMRO-JTQLQIEISA-N 1 0 274.280 1.889 20 5 CDBDRO CC[NH+]1CCC(Oc2cc(=O)[nH]c(C)c2[N+](=O)[O-])CC1 ZINC001228685772 942357795 /nfs/dbraw/zinc/35/77/95/942357795.db2.gz KHTUZSUGCQOWSA-UHFFFAOYSA-N 1 0 281.312 1.867 20 5 CDBDRO COC(=O)c1c(O[C@@H](C)C[N+](C)(C)C)cccc1[N+](=O)[O-] ZINC001229049767 942411986 /nfs/dbraw/zinc/41/19/86/942411986.db2.gz KPAKRQCHARFATI-JTQLQIEISA-N 1 0 297.331 1.855 20 5 CDBDRO CCc1cccc(O)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001230371443 942613647 /nfs/dbraw/zinc/61/36/47/942613647.db2.gz FWSJVZKSMDLTAY-GFCCVEGCSA-O 1 0 282.360 1.317 20 5 CDBDRO C[C@H](Nc1cc(N)c([N+](=O)[O-])cn1)C(C)(C)C[NH+](C)C ZINC001262684187 943668889 /nfs/dbraw/zinc/66/88/89/943668889.db2.gz LJKAVZDNCOANRM-VIFPVBQESA-N 1 0 281.360 1.960 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cc(C(F)(F)F)[nH]n1 ZINC001234858776 943961805 /nfs/dbraw/zinc/96/18/05/943961805.db2.gz KTKRQUCJKOGHCK-SSDOTTSWSA-N 1 0 252.260 1.902 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)[NH2+]C ZINC001261461536 946127633 /nfs/dbraw/zinc/12/76/33/946127633.db2.gz PAXBNUCCPWNKOG-SECBINFHSA-N 1 0 280.328 1.364 20 5 CDBDRO CCC[NH+]1CCN(c2c(C)cncc2[N+](=O)[O-])CC1 ZINC001261849414 946303533 /nfs/dbraw/zinc/30/35/33/946303533.db2.gz FZRIIWLBZDJIEF-UHFFFAOYSA-N 1 0 264.329 1.830 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCO1 ZINC001254536785 947516072 /nfs/dbraw/zinc/51/60/72/947516072.db2.gz SYPQFGMBVGLTPS-JQWIXIFHSA-N 1 0 250.298 1.904 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCCn1ccnc1)C2 ZINC001254568391 947530960 /nfs/dbraw/zinc/53/09/60/947530960.db2.gz UEMYLOCMDRDLSR-AWEZNQCLSA-N 1 0 286.335 1.938 20 5 CDBDRO Cc1noc(CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254573001 947532930 /nfs/dbraw/zinc/53/29/30/947532930.db2.gz VENVOOYBHUAOJF-LBPRGKRZSA-N 1 0 288.307 1.586 20 5 CDBDRO O=C1CCC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CN1 ZINC001254579916 947537331 /nfs/dbraw/zinc/53/73/31/947537331.db2.gz XARAMLPVAYOEAE-STQMWFEESA-N 1 0 289.335 1.320 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cncnc1)C2 ZINC001254581180 947537599 /nfs/dbraw/zinc/53/75/99/947537599.db2.gz JLBSMIBEKGGDTK-CYBMUJFWSA-N 1 0 270.292 1.642 20 5 CDBDRO C[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1O ZINC001254592728 947543623 /nfs/dbraw/zinc/54/36/23/947543623.db2.gz GHMHFOUCQPNNKC-KMUNFCNLSA-N 1 0 276.336 1.765 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](n1cnc3c1C[NH2+]CC3)C2 ZINC001254594978 947545968 /nfs/dbraw/zinc/54/59/68/947545968.db2.gz ULJHDXPZGYSRQY-ZDUSSCGKSA-N 1 0 284.319 1.777 20 5 CDBDRO CC[NH+]1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254597328 947547356 /nfs/dbraw/zinc/54/73/56/947547356.db2.gz HKZDUJMSRWWUJQ-HNNXBMFYSA-N 1 0 275.352 1.700 20 5 CDBDRO C[C@]1(CO)CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254599702 947551218 /nfs/dbraw/zinc/55/12/18/947551218.db2.gz PCLKEYCFSJAWHD-GJZGRUSLSA-N 1 0 276.336 1.766 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(CCO)CCO ZINC001246332372 948111435 /nfs/dbraw/zinc/11/14/35/948111435.db2.gz INDUCZTUIRLENS-LLVKDONJSA-N 1 0 282.340 1.249 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@@H]3[NH2+]CC[C@H]31)C2 ZINC001246628769 948365102 /nfs/dbraw/zinc/36/51/02/948365102.db2.gz CEEZSYIWCAEWGR-QLFBSQMISA-N 1 0 273.336 1.498 20 5 CDBDRO C[C@H]1C[NH2+][C@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001247735362 948734673 /nfs/dbraw/zinc/73/46/73/948734673.db2.gz FPSQHAVTBMBIOJ-SVRRBLITSA-N 1 0 293.258 1.849 20 5 CDBDRO C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC001325743537 954053248 /nfs/dbraw/zinc/05/32/48/954053248.db2.gz NQBDDDFMXHBMOP-ZJUUUORDSA-N 1 0 266.345 1.683 20 5 CDBDRO O=[N+]([O-])CC[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC001333208097 958157690 /nfs/dbraw/zinc/15/76/90/958157690.db2.gz JQRNRHDAZPARRG-GFCCVEGCSA-N 1 0 250.298 1.664 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NC1CC[NH+](C)CC1 ZINC001321100223 959591277 /nfs/dbraw/zinc/59/12/77/959591277.db2.gz GQFYKNMXBMKIRL-UHFFFAOYSA-N 1 0 250.302 1.226 20 5 CDBDRO CN(C)C(=O)OCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001321288663 959699993 /nfs/dbraw/zinc/69/99/93/959699993.db2.gz RIAOKDCLWHZRPA-UHFFFAOYSA-N 1 0 295.339 1.767 20 5 CDBDRO CN1CCCC[C@@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335368960 959746609 /nfs/dbraw/zinc/74/66/09/959746609.db2.gz TWQCLRIBZLMTQE-CABCVRRESA-N 1 0 293.367 1.702 20 5 CDBDRO CC[C@](C)(O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335401092 959777505 /nfs/dbraw/zinc/77/75/05/959777505.db2.gz XRJBMHKKLAMLIX-STQMWFEESA-N 1 0 268.313 1.379 20 5 CDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2C=CCC2)cc1 ZINC001335969504 960129543 /nfs/dbraw/zinc/12/95/43/960129543.db2.gz VTTAVKVMAJYMIW-NSHDSACASA-N 1 0 296.348 1.677 20 5 CDBDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CO1 ZINC001336770066 960567670 /nfs/dbraw/zinc/56/76/70/960567670.db2.gz FNJBUMPLCHEBCO-GRYCIOLGSA-N 1 0 296.323 1.102 20 5 CDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CO1 ZINC001336770070 960568548 /nfs/dbraw/zinc/56/85/48/960568548.db2.gz FNJBUMPLCHEBCO-UTUOFQBUSA-N 1 0 296.323 1.102 20 5 CDBDRO [NH3+]CC[C@@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC001341120601 963284712 /nfs/dbraw/zinc/28/47/12/963284712.db2.gz BUGATPWDJSDPIM-ACVFHECNSA-N 1 0 289.335 1.805 20 5 CDBDRO C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC001341889979 963573134 /nfs/dbraw/zinc/57/31/34/963573134.db2.gz OOCMLCHYJHDBQF-WBMYTEFPSA-N 1 0 289.335 1.504 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001342942314 963866560 /nfs/dbraw/zinc/86/65/60/963866560.db2.gz CTFPMSLPUVVEOC-PWSUYJOCSA-N 1 0 279.340 1.813 20 5 CDBDRO Cc1cc(NC(=O)[C@H](C)[NH2+]C2CC2)cc([N+](=O)[O-])c1 ZINC001343777900 964136961 /nfs/dbraw/zinc/13/69/61/964136961.db2.gz UUMXFTAVFMLKSB-VIFPVBQESA-N 1 0 263.297 1.982 20 5 CDBDRO Cc1cc(NC(=O)[C@@]2(C)CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC001346504244 965146946 /nfs/dbraw/zinc/14/69/46/965146946.db2.gz JQQVQSULGVKNPA-ZDUSSCGKSA-N 1 0 263.297 1.841 20 5 CDBDRO [NH3+]C1(CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CCC1 ZINC001353602977 968097990 /nfs/dbraw/zinc/09/79/90/968097990.db2.gz XOTTXAHHTCHELO-OLZOCXBDSA-N 1 0 289.335 1.696 20 5 CDBDRO CCCCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001200472892 968288580 /nfs/dbraw/zinc/28/85/80/968288580.db2.gz UAOINSZYTFSQQI-CHWSQXEVSA-N 1 0 283.372 1.422 20 5 CDBDRO CC[N@@H+]1CCN(c2cc(OC)c([N+](=O)[O-])cn2)C(C)(C)C1 ZINC001158562954 1163214353 /nfs/dbraw/zinc/21/43/53/1163214353.db2.gz OZUKYIHRICMRIW-UHFFFAOYSA-N 1 0 294.355 1.919 20 5 CDBDRO C[C@](CO)(NC[C@]12C[C@H]1C[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC001576035937 1171317092 /nfs/dbraw/zinc/31/70/92/1171317092.db2.gz FVCPTYUFKCVLGG-NWANDNLSSA-N 1 0 291.351 1.001 20 5 CDBDRO C[NH+](C)[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000601001946 342457616 /nfs/dbraw/zinc/45/76/16/342457616.db2.gz FACOSAMMPSBGEX-GFCCVEGCSA-N 1 0 295.314 1.804 20 5 CDBDRO C[NH+]1CCC(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601030660 342459947 /nfs/dbraw/zinc/45/99/47/342459947.db2.gz XCYQRXBUSOQAPN-UHFFFAOYSA-N 1 0 295.314 1.806 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1C[C@@H](CO)C1 ZINC000601139853 342479796 /nfs/dbraw/zinc/47/97/96/342479796.db2.gz MDLVWBVZMKDSTD-NCJBQBKSSA-N 1 0 262.309 1.969 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000589879256 342516066 /nfs/dbraw/zinc/51/60/66/342516066.db2.gz YNNUHZITNPDJOL-CQSZACIVSA-N 1 0 293.371 1.652 20 5 CDBDRO Cc1cc(NCC[N@@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000599199790 343979742 /nfs/dbraw/zinc/97/97/42/343979742.db2.gz QFKGVUURKMZFMQ-LBPRGKRZSA-N 1 0 265.313 1.382 20 5 CDBDRO C[NH2+]C[C@H]1CCCCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC001578737350 1171991210 /nfs/dbraw/zinc/99/12/10/1171991210.db2.gz WKVPUXBMFWWXDB-SNVBAGLBSA-N 1 0 265.317 1.272 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1COCC[C@H]1O ZINC000601306402 342551299 /nfs/dbraw/zinc/55/12/99/342551299.db2.gz IAAQAWPIBXTCHN-LERXQTSPSA-N 1 0 280.324 1.704 20 5 CDBDRO O=[N+]([O-])c1cccc(CN[C@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000601327949 342554369 /nfs/dbraw/zinc/55/43/69/342554369.db2.gz ALAQAYFPYJBRCM-OCCSQVGLSA-N 1 0 261.325 1.827 20 5 CDBDRO COc1ccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000601330773 342554681 /nfs/dbraw/zinc/55/46/81/342554681.db2.gz WWWXOZXEEIMZKA-TXEJJXNPSA-N 1 0 277.324 1.540 20 5 CDBDRO Cc1sc(C(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000082655300 178143918 /nfs/dbraw/zinc/14/39/18/178143918.db2.gz ZLORXEDBNJGIIF-UHFFFAOYSA-N 1 0 255.299 1.010 20 5 CDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000070169862 361738354 /nfs/dbraw/zinc/73/83/54/361738354.db2.gz GFGWKXFALPKEAR-JTQLQIEISA-N 1 0 295.314 1.935 20 5 CDBDRO Cc1sc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000289991424 197553792 /nfs/dbraw/zinc/55/37/92/197553792.db2.gz YKANZKMHPKKCSN-UWVGGRQHSA-N 1 0 295.364 1.646 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000590566942 342575993 /nfs/dbraw/zinc/57/59/93/342575993.db2.gz TWBOOLUTLIVEJU-BXUZGUMPSA-N 1 0 291.351 1.688 20 5 CDBDRO C[C@@H]1CCC[N@H+](CCNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000590572004 342577064 /nfs/dbraw/zinc/57/70/64/342577064.db2.gz IJNUNUAMWGLNOG-SNVBAGLBSA-N 1 0 279.344 1.138 20 5 CDBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000590578146 342577289 /nfs/dbraw/zinc/57/72/89/342577289.db2.gz NPRJVSZQWWRZHJ-JTQLQIEISA-N 1 0 279.344 1.350 20 5 CDBDRO CC[C@H](C)[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000590726017 342584370 /nfs/dbraw/zinc/58/43/70/342584370.db2.gz LIKDHTZGVVTZTI-NSHDSACASA-N 1 0 264.329 1.910 20 5 CDBDRO CC[C@@H](C)[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000590726016 342584426 /nfs/dbraw/zinc/58/44/26/342584426.db2.gz LIKDHTZGVVTZTI-LLVKDONJSA-N 1 0 264.329 1.910 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@](C)(C[NH3+])C2CC2)c1 ZINC000133719885 342069227 /nfs/dbraw/zinc/06/92/27/342069227.db2.gz OYCVIVMXYMBFFK-AWEZNQCLSA-N 1 0 277.324 1.760 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@@H]4CC[NH2+][C@H]4C3)nc2c1 ZINC000591438117 342631999 /nfs/dbraw/zinc/63/19/99/342631999.db2.gz LAMHZXWTJLMSNW-ZANVPECISA-N 1 0 287.323 1.659 20 5 CDBDRO O=C(NCC[NH2+]C1CC1)NCCc1cccc([N+](=O)[O-])c1 ZINC000591355928 342627442 /nfs/dbraw/zinc/62/74/42/342627442.db2.gz DLBGADJHQWZDNP-UHFFFAOYSA-N 1 0 292.339 1.189 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591448498 342632795 /nfs/dbraw/zinc/63/27/95/342632795.db2.gz JICOBQYZYLZKFQ-ZWNOBZJWSA-N 1 0 279.315 1.918 20 5 CDBDRO O=[N+]([O-])c1cccc(OCCN2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000591447841 342632819 /nfs/dbraw/zinc/63/28/19/342632819.db2.gz AMBHMJLLKUCYQE-IUODEOHRSA-N 1 0 291.351 1.657 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000591448950 342632939 /nfs/dbraw/zinc/63/29/39/342632939.db2.gz RNNCACSLNGXHEA-TZMCWYRMSA-N 1 0 261.325 1.779 20 5 CDBDRO CNC(=O)c1ccc(N2CC[C@@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000218201525 290628240 /nfs/dbraw/zinc/62/82/40/290628240.db2.gz YNZFWLYZTRUPMB-GXSJLCMTSA-N 1 0 292.339 1.128 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000312860292 342145640 /nfs/dbraw/zinc/14/56/40/342145640.db2.gz QQSRTPDWEAULPP-LLVKDONJSA-N 1 0 282.344 1.193 20 5 CDBDRO CN(CCC[NH3+])C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000591679327 342641707 /nfs/dbraw/zinc/64/17/07/342641707.db2.gz QXJAVXMBBTVOJF-UHFFFAOYSA-N 1 0 277.280 1.762 20 5 CDBDRO CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[NH2+]1 ZINC000592246373 342681055 /nfs/dbraw/zinc/68/10/55/342681055.db2.gz KSEMZECYSIWHPI-SNVBAGLBSA-N 1 0 280.328 1.003 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000592289297 342683634 /nfs/dbraw/zinc/68/36/34/342683634.db2.gz KOFQSLWVTZJYKW-UHFFFAOYSA-N 1 0 295.339 1.641 20 5 CDBDRO CNc1ccc(C(=O)NCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000592295468 342684027 /nfs/dbraw/zinc/68/40/27/342684027.db2.gz NZVGCPFZCCOMGW-UHFFFAOYSA-N 1 0 278.312 1.118 20 5 CDBDRO COc1ccc(CNC(=O)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000592045456 342661279 /nfs/dbraw/zinc/66/12/79/342661279.db2.gz QGBUQECPHCSDPK-UHFFFAOYSA-N 1 0 281.312 1.347 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC1CCC([NH3+])CC1 ZINC000592469092 342698089 /nfs/dbraw/zinc/69/80/89/342698089.db2.gz YFLZDLNOSMHIMM-UHFFFAOYSA-N 1 0 278.312 1.177 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000592554621 342709384 /nfs/dbraw/zinc/70/93/84/342709384.db2.gz KCWSWTHKPJUAEG-LLVKDONJSA-N 1 0 290.323 1.049 20 5 CDBDRO Cc1sc(C(=O)N(C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000125413466 187183597 /nfs/dbraw/zinc/18/35/97/187183597.db2.gz MVGLFWDKFYVGLY-UHFFFAOYSA-N 1 0 283.353 1.789 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000070253670 361871006 /nfs/dbraw/zinc/87/10/06/361871006.db2.gz XSIBEAHKZSNURW-CYBMUJFWSA-N 1 0 289.335 1.601 20 5 CDBDRO Cc1cccc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000382466376 361937888 /nfs/dbraw/zinc/93/78/88/361937888.db2.gz MJQADHCQEAMVGH-GHMZBOCLSA-N 1 0 277.324 1.760 20 5 CDBDRO Cc1cnn([C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000290038237 361981081 /nfs/dbraw/zinc/98/10/81/361981081.db2.gz WHKWUWWQFHYDPH-LBPRGKRZSA-N 1 0 290.327 1.243 20 5 CDBDRO CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000290049112 361985285 /nfs/dbraw/zinc/98/52/85/361985285.db2.gz DYGCUCJWQJRBHM-WHOFXGATSA-N 1 0 294.351 1.919 20 5 CDBDRO CCNC(=O)C[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055904488 342265383 /nfs/dbraw/zinc/26/53/83/342265383.db2.gz CKWFBMCSGMDPHA-UHFFFAOYSA-N 1 0 295.339 1.432 20 5 CDBDRO C[NH2+]C1(CNC(=O)c2cccc([N+](=O)[O-])c2C)CCC1 ZINC000600824740 342251578 /nfs/dbraw/zinc/25/15/78/342251578.db2.gz ORNFBZLHWMYKGW-UHFFFAOYSA-N 1 0 277.324 1.775 20 5 CDBDRO C[NH2+]C1(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000600825448 342251778 /nfs/dbraw/zinc/25/17/78/342251778.db2.gz UQWGWTMDJRPHBY-UHFFFAOYSA-N 1 0 291.351 1.786 20 5 CDBDRO C[NH2+]C1(CNC(=O)c2cc([N+](=O)[O-])ccc2C)CCC1 ZINC000600826083 342251840 /nfs/dbraw/zinc/25/18/40/342251840.db2.gz XQYUMWAYFJZRQB-UHFFFAOYSA-N 1 0 277.324 1.775 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000092956602 342270436 /nfs/dbraw/zinc/27/04/36/342270436.db2.gz QOVASLVQOBGQMH-JOYOIKCWSA-N 1 0 263.297 1.209 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1C[C@@H](O)C1 ZINC000595053549 343000082 /nfs/dbraw/zinc/00/00/82/343000082.db2.gz WCWYUHVVXWUCFE-KKZNHRDASA-N 1 0 266.297 1.777 20 5 CDBDRO COc1ccc(NC(=O)N(C)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000595230995 343009546 /nfs/dbraw/zinc/00/95/46/343009546.db2.gz MFQQWQREYBHLCG-UHFFFAOYSA-N 1 0 296.327 1.804 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000595262617 343014914 /nfs/dbraw/zinc/01/49/14/343014914.db2.gz ORQWSNHHVLSBTM-SNVBAGLBSA-N 1 0 280.328 1.044 20 5 CDBDRO COCCO[C@H]1CCCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595391721 343046553 /nfs/dbraw/zinc/04/65/53/343046553.db2.gz OMYJSDUVJPVELI-NSHDSACASA-N 1 0 299.327 1.519 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595415753 343054291 /nfs/dbraw/zinc/05/42/91/343054291.db2.gz SHTZSOZDWKDLNU-WFASDCNBSA-N 1 0 295.383 1.947 20 5 CDBDRO C[C@@H]1CCC[C@H](C)[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075767317 342317222 /nfs/dbraw/zinc/31/72/22/342317222.db2.gz OQNVLSUAKNMOFG-DYEKYZERSA-N 1 0 296.371 1.663 20 5 CDBDRO CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H](C)CO ZINC000595501868 343078954 /nfs/dbraw/zinc/07/89/54/343078954.db2.gz NOBYZAJWBVFPOL-SECBINFHSA-N 1 0 256.277 1.937 20 5 CDBDRO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCC[N@@H+]1C ZINC000436918724 362123016 /nfs/dbraw/zinc/12/30/16/362123016.db2.gz JSTLVZCHRLITNW-BXKDBHETSA-N 1 0 293.323 1.513 20 5 CDBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000595940181 343203206 /nfs/dbraw/zinc/20/32/06/343203206.db2.gz BTGVDWLAXBRISY-UHFFFAOYSA-N 1 0 281.287 1.735 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000595922252 343192156 /nfs/dbraw/zinc/19/21/56/343192156.db2.gz BZXBDTSHVLMMFI-GFCCVEGCSA-N 1 0 281.312 1.088 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000596246637 343286060 /nfs/dbraw/zinc/28/60/60/343286060.db2.gz XLBKEMCWHZVZKU-MWLCHTKSSA-N 1 0 281.360 1.648 20 5 CDBDRO CC(C)[NH2+]C1(CO)CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000596250635 343274444 /nfs/dbraw/zinc/27/44/44/343274444.db2.gz JLWRKENIZBQHAR-UHFFFAOYSA-N 1 0 293.367 1.924 20 5 CDBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])cn1C)[NH+](C)C ZINC000596452978 343324758 /nfs/dbraw/zinc/32/47/58/343324758.db2.gz GMKUPAXQYLJZGN-VIFPVBQESA-N 1 0 268.317 1.003 20 5 CDBDRO Cn1ccnc1[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000535316700 282251090 /nfs/dbraw/zinc/25/10/90/282251090.db2.gz RGYAEWIIWBTPHB-NSHDSACASA-N 1 0 290.327 1.014 20 5 CDBDRO C[NH+](C)C1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000596668063 343366514 /nfs/dbraw/zinc/36/65/14/343366514.db2.gz YLWMMDQXBPDQGQ-UHFFFAOYSA-N 1 0 292.339 1.217 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000139669905 342432761 /nfs/dbraw/zinc/43/27/61/342432761.db2.gz XVUUQJRHYANLMW-LLVKDONJSA-N 1 0 290.323 1.953 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000216206918 342439339 /nfs/dbraw/zinc/43/93/39/342439339.db2.gz VDOLNZDUOJZZHS-ZJUUUORDSA-N 1 0 265.313 1.777 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C1([NH+](C)C)CC1 ZINC000596869677 343400902 /nfs/dbraw/zinc/40/09/02/343400902.db2.gz OBZXSEHRJXEDAK-UHFFFAOYSA-N 1 0 293.323 1.314 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@@H+](CCCO)C2)s1 ZINC000295029874 199309080 /nfs/dbraw/zinc/30/90/80/199309080.db2.gz VKUNBOJKCLUWKX-SECBINFHSA-N 1 0 286.357 1.310 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000597698211 343614917 /nfs/dbraw/zinc/61/49/17/343614917.db2.gz GWSUSYICGIWCMR-KOLCDFICSA-N 1 0 280.328 1.098 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(CF)CC1 ZINC000295077571 199333887 /nfs/dbraw/zinc/33/38/87/199333887.db2.gz DOXXIMWOJJJTJG-UHFFFAOYSA-N 1 0 283.303 1.438 20 5 CDBDRO Nc1c(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598668694 343871793 /nfs/dbraw/zinc/87/17/93/343871793.db2.gz XSKIVAHIUZSDBH-YMTOWFKASA-N 1 0 290.323 1.130 20 5 CDBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])CC(F)F ZINC000599023030 343941406 /nfs/dbraw/zinc/94/14/06/343941406.db2.gz QAGZTMLUUBHYGY-UHFFFAOYSA-N 1 0 273.283 1.881 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598914341 343919624 /nfs/dbraw/zinc/91/96/24/343919624.db2.gz ASPDDZOTNPDHBA-SNVBAGLBSA-N 1 0 284.291 1.839 20 5 CDBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H](C)C[NH2+]1 ZINC000598914502 343919641 /nfs/dbraw/zinc/91/96/41/343919641.db2.gz GOSYOYNETMJIPS-RKDXNWHRSA-N 1 0 296.302 1.948 20 5 CDBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1[NH3+] ZINC000598916308 343920065 /nfs/dbraw/zinc/92/00/65/343920065.db2.gz XRFJUVSZROJJPY-KCJUWKMLSA-N 1 0 296.302 1.935 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598916285 343920154 /nfs/dbraw/zinc/92/01/54/343920154.db2.gz WUGIXPDOXNDFCR-ZETCQYMHSA-N 1 0 270.264 1.593 20 5 CDBDRO Cc1c(CNC(=O)C2(C[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000602147812 344351179 /nfs/dbraw/zinc/35/11/79/344351179.db2.gz KDTXSURQBWPLLS-UHFFFAOYSA-N 1 0 291.351 1.861 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602427331 344422273 /nfs/dbraw/zinc/42/22/73/344422273.db2.gz FGMUZMUOLUWZSA-QMMMGPOBSA-N 1 0 267.260 1.155 20 5 CDBDRO CC[NH2+][C@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000602441251 344418404 /nfs/dbraw/zinc/41/84/04/344418404.db2.gz VMTAUMWDZHJYDR-SECBINFHSA-N 1 0 251.286 1.209 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602588560 344479037 /nfs/dbraw/zinc/47/90/37/344479037.db2.gz BNZGSLKPADNFOM-DTORHVGOSA-N 1 0 295.726 1.825 20 5 CDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602591900 344479920 /nfs/dbraw/zinc/47/99/20/344479920.db2.gz MEXZTHPEJZXAFN-PHIMTYICSA-N 1 0 279.271 1.310 20 5 CDBDRO CO[C@H](C[NH2+]CCn1cc([N+](=O)[O-])cn1)CC(C)C ZINC000602568811 344484268 /nfs/dbraw/zinc/48/42/68/344484268.db2.gz NHLREHQYGJCUIX-LBPRGKRZSA-N 1 0 270.333 1.442 20 5 CDBDRO Cc1nnsc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000602659652 344533068 /nfs/dbraw/zinc/53/30/68/344533068.db2.gz QDHXICBLCDFJBG-UHFFFAOYSA-N 1 0 293.352 1.720 20 5 CDBDRO C[C@@H](CF)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602660911 344533508 /nfs/dbraw/zinc/53/35/08/344533508.db2.gz AVOGMCGGCWYPSH-JTQLQIEISA-N 1 0 282.319 1.906 20 5 CDBDRO [NH3+]CCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000147875797 362441341 /nfs/dbraw/zinc/44/13/41/362441341.db2.gz WHMQVQODISPVFJ-UHFFFAOYSA-N 1 0 257.677 1.327 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000147971110 362443649 /nfs/dbraw/zinc/44/36/49/362443649.db2.gz RPRFPERGZNUFHN-SSDOTTSWSA-N 1 0 255.299 1.090 20 5 CDBDRO C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265565791 362450422 /nfs/dbraw/zinc/45/04/22/362450422.db2.gz UBEGWXUNKYVMPT-UHFFFAOYSA-N 1 0 270.720 1.785 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](CO)CC(C)(C)C ZINC000602842001 344622219 /nfs/dbraw/zinc/62/22/19/344622219.db2.gz UWTRLYJZNMCYCE-LBPRGKRZSA-N 1 0 298.387 1.829 20 5 CDBDRO [NH3+]CCSCc1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000603160133 344724395 /nfs/dbraw/zinc/72/43/95/344724395.db2.gz FKVOXKAUPWCIMU-UHFFFAOYSA-N 1 0 293.352 1.427 20 5 CDBDRO CC[C@@H]([NH3+])c1cn(Cc2c(F)cc([N+](=O)[O-])cc2F)nn1 ZINC000603247049 344750877 /nfs/dbraw/zinc/75/08/77/344750877.db2.gz ITMYENSSTGEWEC-LLVKDONJSA-N 1 0 297.265 1.923 20 5 CDBDRO [NH3+]CCc1cn(Cc2c(F)cc([N+](=O)[O-])cc2F)nn1 ZINC000603249427 344751589 /nfs/dbraw/zinc/75/15/89/344751589.db2.gz VYODYXJVBNILSU-UHFFFAOYSA-N 1 0 283.238 1.014 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000603983873 344851444 /nfs/dbraw/zinc/85/14/44/344851444.db2.gz GARQDGXKEPFNKG-UHFFFAOYSA-N 1 0 292.339 1.101 20 5 CDBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000604467856 344893403 /nfs/dbraw/zinc/89/34/03/344893403.db2.gz FBTBTQSHTGZAPM-JTQLQIEISA-N 1 0 280.328 1.479 20 5 CDBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000604467857 344893552 /nfs/dbraw/zinc/89/35/52/344893552.db2.gz FBTBTQSHTGZAPM-SNVBAGLBSA-N 1 0 280.328 1.479 20 5 CDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000314490227 344912290 /nfs/dbraw/zinc/91/22/90/344912290.db2.gz INZKJWBKDWBHEJ-GXSJLCMTSA-N 1 0 292.339 1.342 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000537610119 282374392 /nfs/dbraw/zinc/37/43/92/282374392.db2.gz DPTUMYVCPHMXLB-ZWNOBZJWSA-N 1 0 292.339 1.100 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000293065614 362521923 /nfs/dbraw/zinc/52/19/23/362521923.db2.gz MNMGWYAPFJPSBT-NSHDSACASA-N 1 0 290.367 1.951 20 5 CDBDRO CCOCC(C)(C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000293152387 362531729 /nfs/dbraw/zinc/53/17/29/362531729.db2.gz DXUJVSXXQOEFIU-UHFFFAOYSA-N 1 0 295.339 1.598 20 5 CDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000129340674 345315095 /nfs/dbraw/zinc/31/50/95/345315095.db2.gz NYUVPWIMLDAMRB-CHWSQXEVSA-N 1 0 264.325 1.886 20 5 CDBDRO C[C@@]1(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000230734569 345442216 /nfs/dbraw/zinc/44/22/16/345442216.db2.gz GLASTDOAGODDHE-GFCCVEGCSA-N 1 0 264.285 1.468 20 5 CDBDRO C[C@H](C(=O)NCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000617690001 345913285 /nfs/dbraw/zinc/91/32/85/345913285.db2.gz FXLVYAZLJCEBIX-LBPRGKRZSA-N 1 0 291.351 1.910 20 5 CDBDRO Cc1nn(C)c(NC[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000037649740 346362781 /nfs/dbraw/zinc/36/27/81/346362781.db2.gz NKLZFXSSDLMVGO-SNVBAGLBSA-N 1 0 279.344 1.533 20 5 CDBDRO CC(C)[C@@H](O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000124844590 346590208 /nfs/dbraw/zinc/59/02/08/346590208.db2.gz RJGIOEIPCIDFQO-ZDUSSCGKSA-N 1 0 252.314 1.744 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000612588246 347217907 /nfs/dbraw/zinc/21/79/07/347217907.db2.gz XLDZJAWGQMPJIW-UNIPXTFRSA-N 1 0 278.308 1.036 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000086467273 179296848 /nfs/dbraw/zinc/29/68/48/179296848.db2.gz SAHGLKALOOKZTP-GHMZBOCLSA-N 1 0 277.324 1.726 20 5 CDBDRO C[C@H]1C[C@H](Nc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1C ZINC000090794953 348157054 /nfs/dbraw/zinc/15/70/54/348157054.db2.gz DNLUGODZACHQSO-DTWKUNHWSA-N 1 0 253.306 1.223 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000614711093 348199380 /nfs/dbraw/zinc/19/93/80/348199380.db2.gz FVEZDOPGWVVEML-RKDXNWHRSA-N 1 0 283.353 1.869 20 5 CDBDRO COc1cc(CNC[C@H]2CCCC[NH2+]2)c([N+](=O)[O-])cc1O ZINC001579153229 1172108388 /nfs/dbraw/zinc/10/83/88/1172108388.db2.gz UJANBXHFJWVESG-LLVKDONJSA-N 1 0 295.339 1.541 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000057838498 348847875 /nfs/dbraw/zinc/84/78/75/348847875.db2.gz TUMKQBDNZICBNR-JTQLQIEISA-N 1 0 250.302 1.520 20 5 CDBDRO O=C1C[C@@]2(CN1)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000072829824 349135257 /nfs/dbraw/zinc/13/52/57/349135257.db2.gz IASZMGLACKKETP-OAHLLOKOSA-N 1 0 289.335 1.697 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](C)C1 ZINC000091549310 180188700 /nfs/dbraw/zinc/18/87/00/180188700.db2.gz MIHKEHIWUWHUCK-JTQLQIEISA-N 1 0 267.333 1.483 20 5 CDBDRO [NH3+]CC1(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000109705938 186270145 /nfs/dbraw/zinc/27/01/45/186270145.db2.gz AYJPZJQDZCOEMP-UHFFFAOYSA-N 1 0 277.324 1.525 20 5 CDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000110992295 186340179 /nfs/dbraw/zinc/34/01/79/186340179.db2.gz YUFVXNOWRIAOAV-JTQLQIEISA-N 1 0 281.312 1.792 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000311949671 350733674 /nfs/dbraw/zinc/73/36/74/350733674.db2.gz YYXRSPAYAIJZFD-QMMMGPOBSA-N 1 0 269.276 1.591 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000123815186 351288576 /nfs/dbraw/zinc/28/85/76/351288576.db2.gz SOYLYNDBCKAEGB-MFKMUULPSA-N 1 0 265.313 1.143 20 5 CDBDRO C[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000122358847 187028699 /nfs/dbraw/zinc/02/86/99/187028699.db2.gz QHNJWGCKACOQPX-JTQLQIEISA-N 1 0 295.343 1.168 20 5 CDBDRO C[C@H](CC(=O)N(C)C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123257431 187080716 /nfs/dbraw/zinc/08/07/16/187080716.db2.gz ZNYXNSMMBXPSFB-LLVKDONJSA-N 1 0 279.340 1.594 20 5 CDBDRO COc1ccc(NC(=O)[C@@H]([NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000136482255 363111214 /nfs/dbraw/zinc/11/12/14/363111214.db2.gz CAHFSJBHZYURFI-JTQLQIEISA-N 1 0 281.312 1.915 20 5 CDBDRO C[NH2+]CCCC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000136475590 363111299 /nfs/dbraw/zinc/11/12/99/363111299.db2.gz UXDZVQQGZSBZOQ-UHFFFAOYSA-N 1 0 267.285 1.542 20 5 CDBDRO CC1(NC(=O)Cc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000189327439 535179099 /nfs/dbraw/zinc/17/90/99/535179099.db2.gz UDXPDYAJAWZDBL-UHFFFAOYSA-N 1 0 277.324 1.396 20 5 CDBDRO O=C(CC[C@H]1CC[NH2+]C1)NCc1ccccc1[N+](=O)[O-] ZINC000134553352 187759737 /nfs/dbraw/zinc/75/97/37/187759737.db2.gz JLVVKAATRVXSNE-NSHDSACASA-N 1 0 277.324 1.601 20 5 CDBDRO C[C@H]1C[C@@H](O)CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000292427907 198285538 /nfs/dbraw/zinc/28/55/38/198285538.db2.gz NINOMCNBHKILCQ-BPNCWPANSA-N 1 0 280.324 1.473 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000156287137 188253581 /nfs/dbraw/zinc/25/35/81/188253581.db2.gz UOTHNAIVLUVPCD-ZJUUUORDSA-N 1 0 292.339 1.376 20 5 CDBDRO COC(=O)CC[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(C)C ZINC000157829353 188340936 /nfs/dbraw/zinc/34/09/36/188340936.db2.gz VUIFAABJHJHHBQ-UHFFFAOYSA-N 1 0 298.343 1.312 20 5 CDBDRO CSc1ccc(C(=O)N2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000158303663 188369240 /nfs/dbraw/zinc/36/92/40/188369240.db2.gz WQIBPFJATUULHM-JTQLQIEISA-N 1 0 295.364 1.880 20 5 CDBDRO COc1cc(N2CC[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000293022120 198498282 /nfs/dbraw/zinc/49/82/82/198498282.db2.gz JILRSULUWVJEMI-LLVKDONJSA-N 1 0 279.340 1.991 20 5 CDBDRO C[C@@H]1[NH2+]CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@H]1C ZINC000436058436 366117744 /nfs/dbraw/zinc/11/77/44/366117744.db2.gz KXPQOYGMSMFRDT-UWVGGRQHSA-N 1 0 267.304 1.916 20 5 CDBDRO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000036976515 363303297 /nfs/dbraw/zinc/30/32/97/363303297.db2.gz FFLFGSXXJICYPW-GWCFXTLKSA-N 1 0 277.324 1.914 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000411981069 363392382 /nfs/dbraw/zinc/39/23/82/363392382.db2.gz IJAYEVSXNFKMCA-QWHCGFSZSA-N 1 0 280.324 1.472 20 5 CDBDRO C[N@H+]1CC=C(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000271814673 191343253 /nfs/dbraw/zinc/34/32/53/191343253.db2.gz FPCIVANHRVBHCJ-UHFFFAOYSA-N 1 0 289.335 1.515 20 5 CDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC1(CO)COC1 ZINC000558739413 356042725 /nfs/dbraw/zinc/04/27/25/356042725.db2.gz IORLPCZJQWONQZ-UHFFFAOYSA-N 1 0 280.324 1.078 20 5 CDBDRO Cc1ccc(NC(=O)[C@@H]([NH3+])CC(F)F)cc1[N+](=O)[O-] ZINC000336814015 356272142 /nfs/dbraw/zinc/27/21/42/356272142.db2.gz WDWCFCKAHJNZRS-QMMMGPOBSA-N 1 0 273.239 1.824 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000163643939 357036229 /nfs/dbraw/zinc/03/62/29/357036229.db2.gz WAUSDHLNUTVOTG-GHMZBOCLSA-N 1 0 277.324 1.652 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866329 357111877 /nfs/dbraw/zinc/11/18/77/357111877.db2.gz RHQKPMHUIIVXKU-SNVBAGLBSA-N 1 0 250.302 1.886 20 5 CDBDRO CC(C)(O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000070940330 357174692 /nfs/dbraw/zinc/17/46/92/357174692.db2.gz QSPHCJOBTOJFMV-UHFFFAOYSA-N 1 0 279.340 1.488 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+](C)C)c1 ZINC000283655603 357577229 /nfs/dbraw/zinc/57/72/29/357577229.db2.gz QYXYIRRTJLBKRF-UHFFFAOYSA-N 1 0 295.339 1.675 20 5 CDBDRO Cc1c(C[N@H+](CCO)CCCO)cccc1[N+](=O)[O-] ZINC000264641450 357579609 /nfs/dbraw/zinc/57/96/09/357579609.db2.gz VKUKFPLKHYGKDH-UHFFFAOYSA-N 1 0 268.313 1.080 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c(F)c1 ZINC000360763377 357683600 /nfs/dbraw/zinc/68/36/00/357683600.db2.gz JVEABCRBXUKZFS-VXGBXAGGSA-N 1 0 298.314 1.469 20 5 CDBDRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1csc([N+](=O)[O-])c1 ZINC000361096574 357797933 /nfs/dbraw/zinc/79/79/33/357797933.db2.gz MHTZIQNTJVXCFW-WDEREUQCSA-N 1 0 295.364 1.774 20 5 CDBDRO CC[C@H](NC(=O)[C@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000187979424 357831523 /nfs/dbraw/zinc/83/15/23/357831523.db2.gz SMCWNWSZRDKJDD-QWHCGFSZSA-N 1 0 293.323 1.151 20 5 CDBDRO Cc1ccc(CN2CC[NH+](C[C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000188729686 357931179 /nfs/dbraw/zinc/93/11/79/357931179.db2.gz NGPDWNWUFYVJMY-CYBMUJFWSA-N 1 0 293.367 1.402 20 5 CDBDRO CC[C@]1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000062899062 357981191 /nfs/dbraw/zinc/98/11/91/357981191.db2.gz HSJGBQHCQGLNSL-HNNXBMFYSA-N 1 0 291.351 1.643 20 5 CDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000287094979 358096135 /nfs/dbraw/zinc/09/61/35/358096135.db2.gz LCLQMWPWTPFCDK-PWSUYJOCSA-N 1 0 292.339 1.622 20 5 CDBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC(C)(C)C ZINC000361523383 358263496 /nfs/dbraw/zinc/26/34/96/358263496.db2.gz XOBGVANFVARKTJ-LBPRGKRZSA-N 1 0 284.360 1.520 20 5 CDBDRO COCC[N@H+](C)CCCNc1ncc([N+](=O)[O-])s1 ZINC000195508639 358434089 /nfs/dbraw/zinc/43/40/89/358434089.db2.gz OGGXMJDSHLQJDW-UHFFFAOYSA-N 1 0 274.346 1.432 20 5 CDBDRO C[C@@H](CCCC[NH3+])NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000567714643 293849572 /nfs/dbraw/zinc/84/95/72/293849572.db2.gz LVVYFIAPBAWBLB-NSHDSACASA-N 1 0 294.355 1.912 20 5 CDBDRO C[C@H]1C[C@H](C)C[NH+](CCn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000567487147 358688319 /nfs/dbraw/zinc/68/83/19/358688319.db2.gz CDUZOAGRCRSSJL-RYUDHWBXSA-N 1 0 279.340 1.734 20 5 CDBDRO CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567486957 358688620 /nfs/dbraw/zinc/68/86/20/358688620.db2.gz ZEJJNUAPYVKMMN-BXKDBHETSA-N 1 0 277.324 1.696 20 5 CDBDRO Cc1ccc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000186746371 358821833 /nfs/dbraw/zinc/82/18/33/358821833.db2.gz APDFPARIFQCIBM-SKDRFNHKSA-N 1 0 277.324 1.631 20 5 CDBDRO CC[N@H+](C)CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000264933041 358779385 /nfs/dbraw/zinc/77/93/85/358779385.db2.gz SYKMQGRFBHMKJV-UHFFFAOYSA-N 1 0 281.312 1.042 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(OC[C@H](O)C[N@@H+](C)C(C)C)c1 ZINC000380765648 358893001 /nfs/dbraw/zinc/89/30/01/358893001.db2.gz YRSXBSHXUOHGKN-GFCCVEGCSA-N 1 0 282.340 1.983 20 5 CDBDRO C[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000342420712 359049188 /nfs/dbraw/zinc/04/91/88/359049188.db2.gz OAHHTPYEVSYCFN-BXKDBHETSA-N 1 0 284.337 1.118 20 5 CDBDRO Cc1ccc(C(=O)NCCOCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000539748429 359029647 /nfs/dbraw/zinc/02/96/47/359029647.db2.gz MCLOUPZXJXQJEG-UHFFFAOYSA-N 1 0 295.339 1.211 20 5 CDBDRO CCOc1cc(CN2C[C@@H](O)[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000451767209 359078565 /nfs/dbraw/zinc/07/85/65/359078565.db2.gz YTZHEFCTVBQLQY-TZMCWYRMSA-N 1 0 296.323 1.185 20 5 CDBDRO COC[C@@](C)([NH3+])CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000265071231 359083626 /nfs/dbraw/zinc/08/36/26/359083626.db2.gz WONAICHDJRMRDK-AWEZNQCLSA-N 1 0 290.323 1.919 20 5 CDBDRO C[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000381498450 359052363 /nfs/dbraw/zinc/05/23/63/359052363.db2.gz SAUKGOPUBXJDQH-LOSXEJPUSA-N 1 0 263.297 1.460 20 5 CDBDRO C[C@H](Cn1cccn1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000049075685 359249645 /nfs/dbraw/zinc/24/96/45/359249645.db2.gz LYOSBMKCJZYROS-GFCCVEGCSA-N 1 0 290.323 1.848 20 5 CDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000111829286 359266937 /nfs/dbraw/zinc/26/69/37/359266937.db2.gz IDBXNXDYDPGOER-QMMMGPOBSA-N 1 0 254.290 1.026 20 5 CDBDRO CC(C)[C@@H]([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015911 359275819 /nfs/dbraw/zinc/27/58/19/359275819.db2.gz YAJCCNCJVPJWHY-LLVKDONJSA-N 1 0 251.286 1.194 20 5 CDBDRO O=C(CC[C@@H]1CCC[NH2+]C1)NCc1ccccc1[N+](=O)[O-] ZINC000050015980 359276061 /nfs/dbraw/zinc/27/60/61/359276061.db2.gz WUSDRDXJQPSURP-LBPRGKRZSA-N 1 0 291.351 1.991 20 5 CDBDRO C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000153476637 237017052 /nfs/dbraw/zinc/01/70/52/237017052.db2.gz ZTMAYDMOZSHUNL-QWRGUYRKSA-N 1 0 293.323 1.182 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054150130 359544673 /nfs/dbraw/zinc/54/46/73/359544673.db2.gz NHJIPQJDRHWKTP-LLVKDONJSA-N 1 0 295.314 1.948 20 5 CDBDRO COC[C@]1(C)CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296837959 200012148 /nfs/dbraw/zinc/01/21/48/200012148.db2.gz SOECYUQTLYMMEH-LSDHHAIUSA-N 1 0 294.351 1.987 20 5 CDBDRO COCC[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000054187736 359860238 /nfs/dbraw/zinc/86/02/38/359860238.db2.gz NZHILIKIQRCCLR-UHFFFAOYSA-N 1 0 279.340 1.359 20 5 CDBDRO C[NH+](C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])o2)CCSC1 ZINC000267343895 359976307 /nfs/dbraw/zinc/97/63/07/359976307.db2.gz TYDIMQPYZGDASK-GFCCVEGCSA-N 1 0 299.352 1.355 20 5 CDBDRO [NH3+]CCCCc1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000228372025 360161646 /nfs/dbraw/zinc/16/16/46/360161646.db2.gz HUQGLQSBWSEONU-UHFFFAOYSA-N 1 0 261.285 1.457 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000044528509 360494403 /nfs/dbraw/zinc/49/44/03/360494403.db2.gz FFOHRISWWFVUJH-NSHDSACASA-N 1 0 277.324 1.714 20 5 CDBDRO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000178859688 189151241 /nfs/dbraw/zinc/15/12/41/189151241.db2.gz MSUHNRIEZGIZMP-RISCZKNCSA-N 1 0 280.324 1.739 20 5 CDBDRO [NH3+]CCCc1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000229823605 360934221 /nfs/dbraw/zinc/93/42/21/360934221.db2.gz YLIDPSMKFREABN-UHFFFAOYSA-N 1 0 281.703 1.720 20 5 CDBDRO CCc1nn(C)c(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000575155311 360971722 /nfs/dbraw/zinc/97/17/22/360971722.db2.gz ILSOLKSMEJJRCY-UWVGGRQHSA-N 1 0 293.371 1.928 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000053201954 361203593 /nfs/dbraw/zinc/20/35/93/361203593.db2.gz MPNGYRPJEFSKJD-SNVBAGLBSA-N 1 0 281.287 1.558 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000382423634 361352865 /nfs/dbraw/zinc/35/28/65/361352865.db2.gz CUZARMUUVPIVKO-ONGXEEELSA-N 1 0 278.312 1.844 20 5 CDBDRO COCC[N@H+](C)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000171127073 376190176 /nfs/dbraw/zinc/19/01/76/376190176.db2.gz HMKKJDUAEISORH-UHFFFAOYSA-N 1 0 295.339 1.211 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C[NH3+])C2)c1 ZINC000088147694 364258396 /nfs/dbraw/zinc/25/83/96/364258396.db2.gz ROIDNXSBOXQEIG-NSHDSACASA-N 1 0 277.324 1.714 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000133694734 365413168 /nfs/dbraw/zinc/41/31/68/365413168.db2.gz KYOPXPMYNKSABV-JTQLQIEISA-N 1 0 263.297 1.243 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000386324506 366969647 /nfs/dbraw/zinc/96/96/47/366969647.db2.gz UOXGOCPQJPLTKL-WDEREUQCSA-N 1 0 280.324 1.806 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000414649238 241299943 /nfs/dbraw/zinc/29/99/43/241299943.db2.gz CEGCGCXNAREQGU-LLVKDONJSA-N 1 0 294.311 1.462 20 5 CDBDRO C[NH2+]CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000414654529 241303571 /nfs/dbraw/zinc/30/35/71/241303571.db2.gz GDVXYVWRHPJSHR-UHFFFAOYSA-N 1 0 252.274 1.244 20 5 CDBDRO C[N@H+]1CC=C(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271987246 367046559 /nfs/dbraw/zinc/04/65/59/367046559.db2.gz REJHXNMTGCBXMW-UHFFFAOYSA-N 1 0 290.323 1.978 20 5 CDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090321604 367031188 /nfs/dbraw/zinc/03/11/88/367031188.db2.gz BGQOTUFBKWRLKC-DTORHVGOSA-N 1 0 279.271 1.025 20 5 CDBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000272185470 367292963 /nfs/dbraw/zinc/29/29/63/367292963.db2.gz MKNOXTBFJMRUTA-JTQLQIEISA-N 1 0 294.355 1.725 20 5 CDBDRO CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)CC1 ZINC000301105835 367789185 /nfs/dbraw/zinc/78/91/85/367789185.db2.gz SBSIRBOLNUXMEK-UHFFFAOYSA-N 1 0 292.339 1.096 20 5 CDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[NH2+]1 ZINC000130633110 368057077 /nfs/dbraw/zinc/05/70/77/368057077.db2.gz YJDGHQRETFITIM-NSHDSACASA-N 1 0 292.339 1.265 20 5 CDBDRO C[C@H]1C[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090795053 368131440 /nfs/dbraw/zinc/13/14/40/368131440.db2.gz OGKMFMVZYHMRHL-ONGXEEELSA-N 1 0 292.339 1.588 20 5 CDBDRO C[C@H]1C[NH2+]CCN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000125892713 368256774 /nfs/dbraw/zinc/25/67/74/368256774.db2.gz HCKUBQZSJQLITC-GFAPAMAISA-N 1 0 293.298 1.567 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000133783580 368540096 /nfs/dbraw/zinc/54/00/96/368540096.db2.gz IBAJAMMECOQCSY-LLVKDONJSA-N 1 0 294.355 1.261 20 5 CDBDRO CC(C)[N@H+](CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000170695026 368548458 /nfs/dbraw/zinc/54/84/58/368548458.db2.gz WXRZIXXFOGRJPQ-UHFFFAOYSA-N 1 0 268.313 1.676 20 5 CDBDRO C[NH2+]CCCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414861339 370898709 /nfs/dbraw/zinc/89/87/09/370898709.db2.gz RYJZNCMVVJECTM-UHFFFAOYSA-N 1 0 289.282 1.895 20 5 CDBDRO CC(C)(C[NH2+]Cc1csc([N+](=O)[O-])c1)N1CCOCC1 ZINC000037562550 369079018 /nfs/dbraw/zinc/07/90/18/369079018.db2.gz LMUXKTVPMSTKJB-UHFFFAOYSA-N 1 0 299.396 1.857 20 5 CDBDRO C[C@]1(F)C[NH2+]CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000420331883 244097258 /nfs/dbraw/zinc/09/72/58/244097258.db2.gz MRQDTLZLGZGJHS-AWEZNQCLSA-N 1 0 297.330 1.607 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000330894472 203363137 /nfs/dbraw/zinc/36/31/37/203363137.db2.gz FISFNFVPXZSOEA-YPMHNXCESA-N 1 0 291.351 1.736 20 5 CDBDRO CCCC[C@@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668517 369785403 /nfs/dbraw/zinc/78/54/03/369785403.db2.gz IMVIEVSBCZYVGJ-GFCCVEGCSA-N 1 0 265.313 1.729 20 5 CDBDRO CN(C(=O)CCNc1ccccc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000295353734 370024872 /nfs/dbraw/zinc/02/48/72/370024872.db2.gz YZLHZLOIJRFYTO-UHFFFAOYSA-N 1 0 292.339 1.345 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000422707609 245167092 /nfs/dbraw/zinc/16/70/92/245167092.db2.gz HTFIEZPBFUKSHW-JTQLQIEISA-N 1 0 293.323 1.427 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000422732616 245189544 /nfs/dbraw/zinc/18/95/44/245189544.db2.gz PZYWYTGHRJGJIL-SNVBAGLBSA-N 1 0 293.323 1.475 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000331585924 203989177 /nfs/dbraw/zinc/98/91/77/203989177.db2.gz KFAKEKGCJUDOFF-PWSUYJOCSA-N 1 0 292.339 1.527 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000422855899 245338161 /nfs/dbraw/zinc/33/81/61/245338161.db2.gz DEVFYXASYROMDB-GFCCVEGCSA-N 1 0 291.351 1.987 20 5 CDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000344644631 372792210 /nfs/dbraw/zinc/79/22/10/372792210.db2.gz CPHBVBKAIAIVSV-JTQLQIEISA-N 1 0 280.328 1.005 20 5 CDBDRO Cc1ccnc(N(C)CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000301289463 373480190 /nfs/dbraw/zinc/48/01/90/373480190.db2.gz MZCTUNYJYBHUNL-UHFFFAOYSA-N 1 0 264.329 1.830 20 5 CDBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000274064979 374092992 /nfs/dbraw/zinc/09/29/92/374092992.db2.gz QQNZVALRXDJJLU-RYUDHWBXSA-N 1 0 280.324 1.988 20 5 CDBDRO Cc1c(C(=O)N2CC[C@H](C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000113451970 374257696 /nfs/dbraw/zinc/25/76/96/374257696.db2.gz DZBZQLFXMUSQKN-GFCCVEGCSA-N 1 0 291.351 1.927 20 5 CDBDRO CCC[N@H+](CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065534227 374274127 /nfs/dbraw/zinc/27/41/27/374274127.db2.gz HGHGOXFDSFUTTL-UHFFFAOYSA-N 1 0 268.313 1.678 20 5 CDBDRO CCOc1ccc(C(=O)NCC[N@H+](C)CC)cc1[N+](=O)[O-] ZINC000066959073 374376240 /nfs/dbraw/zinc/37/62/40/374376240.db2.gz KPFAPAPDBVOTAR-UHFFFAOYSA-N 1 0 295.339 1.675 20 5 CDBDRO C[C@@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423844150 246137570 /nfs/dbraw/zinc/13/75/70/246137570.db2.gz LNVKRKICJHPXSP-ZCFIWIBFSA-N 1 0 257.677 1.212 20 5 CDBDRO O=C([C@@H]1CCC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000152018897 284477999 /nfs/dbraw/zinc/47/79/99/284477999.db2.gz PANHMKUNAHVSMW-LLVKDONJSA-N 1 0 275.308 1.484 20 5 CDBDRO Cn1cc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000069786622 374615204 /nfs/dbraw/zinc/61/52/04/374615204.db2.gz WSPVRVRBPMHIDN-UHFFFAOYSA-N 1 0 260.297 1.661 20 5 CDBDRO CC[C@H](NC[C@@H](O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000154341013 374697790 /nfs/dbraw/zinc/69/77/90/374697790.db2.gz VUKCWGFDSVDNPU-KGLIPLIRSA-N 1 0 281.356 1.558 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000070172295 374654182 /nfs/dbraw/zinc/65/41/82/374654182.db2.gz GGGZQYNMFZRDJM-CMPLNLGQSA-N 1 0 277.324 1.794 20 5 CDBDRO CC[NH+](CC)C[C@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000347236006 374663112 /nfs/dbraw/zinc/66/31/12/374663112.db2.gz ODXONKKGLUPLLO-LBPRGKRZSA-N 1 0 293.367 1.984 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000277599333 374798051 /nfs/dbraw/zinc/79/80/51/374798051.db2.gz PTGOWWRITPRKPG-VKYBYORPSA-N 1 0 289.335 1.722 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(N3CCOCC3)CC2)cc1 ZINC000277515762 374792321 /nfs/dbraw/zinc/79/23/21/374792321.db2.gz RSFLYENISUXYGN-UHFFFAOYSA-N 1 0 291.351 1.549 20 5 CDBDRO C[NH+]1CC2(C1)CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000279373843 374893044 /nfs/dbraw/zinc/89/30/44/374893044.db2.gz XHTDRLPHPJAEBY-UHFFFAOYSA-N 1 0 290.323 1.764 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280812359 375024901 /nfs/dbraw/zinc/02/49/01/375024901.db2.gz TZCXUQIIKLELTO-CQSZACIVSA-N 1 0 293.323 1.301 20 5 CDBDRO CCN(C)C(=O)CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332683760 375042240 /nfs/dbraw/zinc/04/22/40/375042240.db2.gz NKTPJNYLXWWLJY-UHFFFAOYSA-N 1 0 292.339 1.216 20 5 CDBDRO CN(C)C(=O)CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282562323 375093298 /nfs/dbraw/zinc/09/32/98/375093298.db2.gz YOFJBTJVGXCKAC-UHFFFAOYSA-N 1 0 279.340 1.547 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CCn1cccc([N+](=O)[O-])c1=O ZINC000283777301 375123935 /nfs/dbraw/zinc/12/39/35/375123935.db2.gz CTSTYWRDIQUDAI-NSHDSACASA-N 1 0 265.313 1.631 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+](C)C2)n1 ZINC000162599691 375390498 /nfs/dbraw/zinc/39/04/98/375390498.db2.gz TWACMDMGOGWCLY-SNVBAGLBSA-N 1 0 250.302 1.662 20 5 CDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000132668035 375559332 /nfs/dbraw/zinc/55/93/32/375559332.db2.gz ZOJOWLMZPQRMMR-SECBINFHSA-N 1 0 297.742 1.978 20 5 CDBDRO CC[N@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000305168080 375562874 /nfs/dbraw/zinc/56/28/74/375562874.db2.gz DMMPTWNFOOQPSI-UHFFFAOYSA-N 1 0 281.312 1.238 20 5 CDBDRO C[NH+](C)C[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1F ZINC000133011635 375660908 /nfs/dbraw/zinc/66/09/08/375660908.db2.gz VUZVIVHMXKTNPN-LBPRGKRZSA-N 1 0 271.292 1.458 20 5 CDBDRO Cc1cccc(C(=O)NC[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000294078171 375664797 /nfs/dbraw/zinc/66/47/97/375664797.db2.gz HTCQRQPOTJOGGN-JTQLQIEISA-N 1 0 279.340 1.831 20 5 CDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)n1 ZINC000427378451 247134350 /nfs/dbraw/zinc/13/43/50/247134350.db2.gz CKBGWQCQEOEUEF-UWVGGRQHSA-N 1 0 295.343 1.024 20 5 CDBDRO C[C@H]([NH2+]C[C@@H]1CN(C)C(=O)O1)c1ccccc1[N+](=O)[O-] ZINC000496250474 375725683 /nfs/dbraw/zinc/72/56/83/375725683.db2.gz AQUQWPZPJRNOGX-VHSXEESVSA-N 1 0 279.296 1.696 20 5 CDBDRO CCOC1(C)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000428726323 247356365 /nfs/dbraw/zinc/35/63/65/247356365.db2.gz DIIOAGTWIAHYCY-UHFFFAOYSA-N 1 0 282.344 1.682 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C1C[NH2+]C1 ZINC000357086595 375884592 /nfs/dbraw/zinc/88/45/92/375884592.db2.gz MDEKCVONQDELDU-UHFFFAOYSA-N 1 0 292.339 1.135 20 5 CDBDRO Cc1ccc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000357109249 375886875 /nfs/dbraw/zinc/88/68/75/375886875.db2.gz XDEVWKVCPPZJQS-KGLIPLIRSA-N 1 0 275.352 1.945 20 5 CDBDRO C[NH2+]C[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430937136 247730943 /nfs/dbraw/zinc/73/09/43/247730943.db2.gz ZKKCXQCHGXYJSD-SNVBAGLBSA-N 1 0 267.304 1.775 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000172173089 377334182 /nfs/dbraw/zinc/33/41/82/377334182.db2.gz BILNHIIIURVUKL-GFCCVEGCSA-N 1 0 291.351 1.927 20 5 CDBDRO C[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000266863366 378074350 /nfs/dbraw/zinc/07/43/50/378074350.db2.gz LSMWYUAZLUDMPW-CHWSQXEVSA-N 1 0 293.367 1.966 20 5 CDBDRO C[C@H](NC(=O)C(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000040922812 378976269 /nfs/dbraw/zinc/97/62/69/378976269.db2.gz GBRHSVUGMYXEPX-QMMMGPOBSA-N 1 0 251.286 1.509 20 5 CDBDRO CC(=O)c1ccc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000278830860 194174344 /nfs/dbraw/zinc/17/43/44/194174344.db2.gz UXRYHYKURDQVFP-BETUJISGSA-N 1 0 289.335 1.795 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000041028420 379250156 /nfs/dbraw/zinc/25/01/56/379250156.db2.gz NNIFSODWIWRUJH-SNVBAGLBSA-N 1 0 263.297 1.467 20 5 CDBDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000246538036 379606448 /nfs/dbraw/zinc/60/64/48/379606448.db2.gz BFCRSODXYBCXOG-XWUBHJNHSA-N 1 0 296.371 1.567 20 5 CDBDRO COc1cc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc([N+](=O)[O-])c1OC ZINC000449595108 250924335 /nfs/dbraw/zinc/92/43/35/250924335.db2.gz ZUJNTIBGOYGLHT-SFYZADRCSA-N 1 0 297.311 1.078 20 5 CDBDRO Cc1c(CNC(=O)/C=C/C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000493328233 253430307 /nfs/dbraw/zinc/43/03/07/253430307.db2.gz CENQTVDKFITWBC-VMPITWQZSA-N 1 0 277.324 1.637 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@H+]1CC=CCC1 ZINC000288281086 197042647 /nfs/dbraw/zinc/04/26/47/197042647.db2.gz ANYYCCYNQQPCTD-UHFFFAOYSA-N 1 0 279.344 1.793 20 5 CDBDRO CC[N@@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000288249282 197035991 /nfs/dbraw/zinc/03/59/91/197035991.db2.gz FAELNIPXYWZHCY-GFCCVEGCSA-N 1 0 291.351 1.690 20 5 CDBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000281243047 195165605 /nfs/dbraw/zinc/16/56/05/195165605.db2.gz UQGKSCUXHITTGX-AWEZNQCLSA-N 1 0 277.324 1.553 20 5 CDBDRO CC(C)[C@@H](O)CN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000433199376 390498106 /nfs/dbraw/zinc/49/81/06/390498106.db2.gz CBAHMCUKYUEPRM-ZDUSSCGKSA-N 1 0 280.324 1.806 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000261613867 390476895 /nfs/dbraw/zinc/47/68/95/390476895.db2.gz FJRCVJDKHVQXRZ-ZDMBXUJBSA-N 1 0 295.314 1.850 20 5 CDBDRO CC1(C)[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@@H]2CCCO[C@@H]21 ZINC000451474757 390625683 /nfs/dbraw/zinc/62/56/83/390625683.db2.gz BHUJDEPMFXNOAB-UHTWSYAYSA-N 1 0 294.355 1.585 20 5 CDBDRO CC[NH2+]CC1CCN(c2c([N+](=O)[O-])nc(C)n2CC)CC1 ZINC000261605641 390662025 /nfs/dbraw/zinc/66/20/25/390662025.db2.gz CTHVFOFCJAFBFO-UHFFFAOYSA-N 1 0 295.387 1.946 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(O)CCC1 ZINC000127466878 390658540 /nfs/dbraw/zinc/65/85/40/390658540.db2.gz VFGLRSBCADGSIL-UHFFFAOYSA-N 1 0 266.297 1.608 20 5 CDBDRO C[C@@H]1C[C@H](O)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000412027799 390681900 /nfs/dbraw/zinc/68/19/00/390681900.db2.gz AEWKZHBEHMHDKY-YPMHNXCESA-N 1 0 280.324 1.676 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCC2(O)CCC2)c1 ZINC000283813645 195924605 /nfs/dbraw/zinc/92/46/05/195924605.db2.gz BVANTWSCRDCORT-UHFFFAOYSA-N 1 0 250.298 1.990 20 5 CDBDRO CCC[C@H]([NH3+])C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000262468225 391211145 /nfs/dbraw/zinc/21/11/45/391211145.db2.gz MVUGSFPRCPCBMI-JTQLQIEISA-N 1 0 263.297 1.611 20 5 CDBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268508880 391336170 /nfs/dbraw/zinc/33/61/70/391336170.db2.gz RQLGQAJSFKRDBY-UHFFFAOYSA-N 1 0 264.329 1.830 20 5 CDBDRO CC[C@@H](CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000186520084 391322926 /nfs/dbraw/zinc/32/29/26/391322926.db2.gz LFFZEWYSKNUQGP-PZBABLGHSA-N 1 0 250.298 1.969 20 5 CDBDRO Cc1cc(NC(=O)N2CC[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000415410673 391402357 /nfs/dbraw/zinc/40/23/57/391402357.db2.gz AIHTYAUPJSBVFA-JTQLQIEISA-N 1 0 278.312 1.729 20 5 CDBDRO C[N@@H+]1CC[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000521071608 391508095 /nfs/dbraw/zinc/50/80/95/391508095.db2.gz WYSHSHGUIHNZOH-LLVKDONJSA-N 1 0 275.308 1.436 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]21 ZINC000230068709 391633130 /nfs/dbraw/zinc/63/31/30/391633130.db2.gz MSKOMYPYVMPYBK-KXUCPTDWSA-N 1 0 279.296 1.387 20 5 CDBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])c(N)c3F)C2)C1 ZINC000292278275 391590161 /nfs/dbraw/zinc/59/01/61/391590161.db2.gz LZPOTATUXLGWGM-AWEZNQCLSA-N 1 0 294.330 1.848 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000292884890 391651319 /nfs/dbraw/zinc/65/13/19/391651319.db2.gz VCOYSMZXKHTBAJ-PHIMTYICSA-N 1 0 264.329 1.827 20 5 CDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]C1 ZINC000237988641 391717075 /nfs/dbraw/zinc/71/70/75/391717075.db2.gz VUIAYJYXJFAYQP-LLVKDONJSA-N 1 0 292.339 1.123 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000237946194 391700087 /nfs/dbraw/zinc/70/00/87/391700087.db2.gz OYBBKXOBYVVDRH-GFCCVEGCSA-N 1 0 293.323 1.313 20 5 CDBDRO CC1CCC([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304286304 130064463 /nfs/dbraw/zinc/06/44/63/130064463.db2.gz FPUGOBKXIZBDBM-ORHYLEIMSA-N 1 0 296.371 1.663 20 5 CDBDRO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H](C)C[NH2+]1 ZINC000237428576 131030251 /nfs/dbraw/zinc/03/02/51/131030251.db2.gz OGSYFCLPSJABMS-GHMZBOCLSA-N 1 0 293.323 1.182 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000261765090 131167990 /nfs/dbraw/zinc/16/79/90/131167990.db2.gz VIXRTOWGXIWZHB-UEKVPHQBSA-N 1 0 291.351 1.640 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000262369181 131214886 /nfs/dbraw/zinc/21/48/86/131214886.db2.gz LLUKFUCCGSIZON-WCBMZHEXSA-N 1 0 279.296 1.028 20 5 CDBDRO COCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000263814178 131337596 /nfs/dbraw/zinc/33/75/96/131337596.db2.gz XRVBRZIZNWOLAS-UHFFFAOYSA-N 1 0 295.339 1.211 20 5 CDBDRO C[C@H](C[NH+]1CCCCC1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000263953742 131368336 /nfs/dbraw/zinc/36/83/36/131368336.db2.gz KNHKVOKLORBKEG-SECBINFHSA-N 1 0 280.332 1.253 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000549183204 392542135 /nfs/dbraw/zinc/54/21/35/392542135.db2.gz CSHNFYIZEMIYSW-SECBINFHSA-N 1 0 293.327 1.065 20 5 CDBDRO C[C@H]1[C@H](CO)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000488803935 392727689 /nfs/dbraw/zinc/72/76/89/392727689.db2.gz ZGSRCYVWIQSKKE-RYUDHWBXSA-N 1 0 280.324 1.676 20 5 CDBDRO CC[C@](C)(O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000123028714 392729140 /nfs/dbraw/zinc/72/91/40/392729140.db2.gz OLNUADSAKNWSPY-HNNXBMFYSA-N 1 0 293.367 1.878 20 5 CDBDRO COc1ccc(C[N@H+](C[C@H](O)CO)C(C)C)cc1[N+](=O)[O-] ZINC000421004813 392925851 /nfs/dbraw/zinc/92/58/51/392925851.db2.gz UJFBLBLDXWRIED-LBPRGKRZSA-N 1 0 298.339 1.167 20 5 CDBDRO COc1ccc(CNC(=O)[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000269054640 132104699 /nfs/dbraw/zinc/10/46/99/132104699.db2.gz VRAXGBZWOHTVDX-LLVKDONJSA-N 1 0 293.323 1.362 20 5 CDBDRO COc1cc(C(=O)NCC[C@H](C)[NH3+])cc([N+](=O)[O-])c1OC ZINC000269167362 132124105 /nfs/dbraw/zinc/12/41/05/132124105.db2.gz QXZFYSDWTSOJQS-QMMMGPOBSA-N 1 0 297.311 1.079 20 5 CDBDRO Cc1c(CC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000423587161 392963744 /nfs/dbraw/zinc/96/37/44/392963744.db2.gz FKBFUXLYVWPGLR-STQMWFEESA-N 1 0 291.351 1.832 20 5 CDBDRO Cc1c(CC(=O)NCC2=CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000423550671 392964315 /nfs/dbraw/zinc/96/43/15/392964315.db2.gz OGBKDPVONCIFQL-UHFFFAOYSA-N 1 0 289.335 1.482 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423636368 392965792 /nfs/dbraw/zinc/96/57/92/392965792.db2.gz SGNXKYWGJYXOJD-VIFPVBQESA-N 1 0 288.307 1.481 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000423678657 392967118 /nfs/dbraw/zinc/96/71/18/392967118.db2.gz LERRCKZJHPNREL-NSHDSACASA-N 1 0 265.313 1.299 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[NH2+]CC1CC1 ZINC000429977039 393088464 /nfs/dbraw/zinc/08/84/64/393088464.db2.gz UUJDADGLFWKSEE-UHFFFAOYSA-N 1 0 293.323 1.219 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000429970533 393088732 /nfs/dbraw/zinc/08/87/32/393088732.db2.gz JUTKXYWZRMGIFR-LBPRGKRZSA-N 1 0 293.323 1.362 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](CO)C1 ZINC000430227918 393095366 /nfs/dbraw/zinc/09/53/66/393095366.db2.gz QQVNTNVHNOMATO-JTQLQIEISA-N 1 0 266.297 1.418 20 5 CDBDRO [NH3+][C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000430608111 393102591 /nfs/dbraw/zinc/10/25/91/393102591.db2.gz DOZQRAVXNCKAOT-SNVBAGLBSA-N 1 0 251.286 1.007 20 5 CDBDRO Cc1c(NC(=O)CCN(C)[C@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000430942760 393107888 /nfs/dbraw/zinc/10/78/88/393107888.db2.gz DYDZXDWWOICBKS-SNVBAGLBSA-N 1 0 294.355 1.511 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H](C[NH3+])C1 ZINC000430965504 393107930 /nfs/dbraw/zinc/10/79/30/393107930.db2.gz KAIOGNSWUCNPSS-LLVKDONJSA-N 1 0 292.339 1.122 20 5 CDBDRO COCC[C@@]1([NH2+]Cc2ccccc2[N+](=O)[O-])CCOC1 ZINC000447387169 393115363 /nfs/dbraw/zinc/11/53/63/393115363.db2.gz SZSVTIKBNWQPBP-CQSZACIVSA-N 1 0 280.324 1.880 20 5 CDBDRO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000132585877 393228808 /nfs/dbraw/zinc/22/88/08/393228808.db2.gz NDLRMVHGBIGMIC-ZJUUUORDSA-N 1 0 295.314 1.852 20 5 CDBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000185435316 140039929 /nfs/dbraw/zinc/03/99/29/140039929.db2.gz UYVQLWWONVIFAN-JTQLQIEISA-N 1 0 295.343 1.312 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC([C@H]3CCCO3)CC2)n1 ZINC000189206981 140110372 /nfs/dbraw/zinc/11/03/72/140110372.db2.gz CKTSKKWZSSGEET-CYBMUJFWSA-N 1 0 294.355 1.682 20 5 CDBDRO Cn1c(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000236080329 140238876 /nfs/dbraw/zinc/23/88/76/140238876.db2.gz OJOIMUBSITUDFD-LLVKDONJSA-N 1 0 294.355 1.441 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000252551795 140319475 /nfs/dbraw/zinc/31/94/75/140319475.db2.gz PYASEPOENMUAGQ-UONOGXRCSA-N 1 0 277.324 1.870 20 5 CDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000261545571 140344978 /nfs/dbraw/zinc/34/49/78/140344978.db2.gz DRUJNGUAIWJBQS-SECBINFHSA-N 1 0 254.290 1.026 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000261669612 140372804 /nfs/dbraw/zinc/37/28/04/140372804.db2.gz FVNMRONNHZOTCZ-MWLCHTKSSA-N 1 0 299.352 1.013 20 5 CDBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2ncc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000488759072 398133977 /nfs/dbraw/zinc/13/39/77/398133977.db2.gz KBPUEAUDWHSBTN-GVXVVHGQSA-N 1 0 291.355 1.551 20 5 CDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000061014375 146881429 /nfs/dbraw/zinc/88/14/29/146881429.db2.gz UCQMQQOLNMUYMV-UHFFFAOYSA-N 1 0 263.297 1.211 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000168694578 147760490 /nfs/dbraw/zinc/76/04/90/147760490.db2.gz YHYXXBZBCPVYMX-QWRGUYRKSA-N 1 0 277.324 1.713 20 5 CDBDRO CCC[NH+]1CCC(N(C)CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176238016 148030037 /nfs/dbraw/zinc/03/00/37/148030037.db2.gz GBXDQHOOMZJLIC-UHFFFAOYSA-N 1 0 295.387 1.598 20 5 CDBDRO O=C(C[C@@H]1CCC[NH2+]1)NCCNc1ccccc1[N+](=O)[O-] ZINC000178344352 148052244 /nfs/dbraw/zinc/05/22/44/148052244.db2.gz RBIPIQBNURNVJF-NSHDSACASA-N 1 0 292.339 1.265 20 5 CDBDRO C[C@H](NC(=O)[C@@]1(F)CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000178401328 148057969 /nfs/dbraw/zinc/05/79/69/148057969.db2.gz ZJNLKIMTVSURFU-TVQRCGJNSA-N 1 0 281.287 1.474 20 5 CDBDRO CCOc1ccc(C(=O)NCCCC[NH3+])cc1[N+](=O)[O-] ZINC000181086465 148176307 /nfs/dbraw/zinc/17/63/07/148176307.db2.gz IFLUEWUVNRUQET-UHFFFAOYSA-N 1 0 281.312 1.462 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1CCO ZINC000312334824 149230668 /nfs/dbraw/zinc/23/06/68/149230668.db2.gz FHHRCTDRNDNOMZ-GFCCVEGCSA-N 1 0 280.324 1.950 20 5 CDBDRO Cc1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000342412256 151828211 /nfs/dbraw/zinc/82/82/11/151828211.db2.gz DIHVEOHQOWVNDX-PWSUYJOCSA-N 1 0 298.364 1.426 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[N@@H+]1CCCC[C@@H]1C ZINC000343069699 152020139 /nfs/dbraw/zinc/02/01/39/152020139.db2.gz ZYDQRUKXCRJRLX-QWRGUYRKSA-N 1 0 294.355 1.916 20 5 CDBDRO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CCC[N@@H+]1C ZINC000343480493 152197421 /nfs/dbraw/zinc/19/74/21/152197421.db2.gz DLADSRKBJNDBEU-RNCFNFMXSA-N 1 0 295.314 1.946 20 5 CDBDRO C[NH2+][C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000346681257 153270634 /nfs/dbraw/zinc/27/06/34/153270634.db2.gz CQQAJHIXWJVSKZ-BPJJOFIESA-N 1 0 261.325 1.902 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH3+])CCC2)c1 ZINC000230067097 292283111 /nfs/dbraw/zinc/28/31/11/292283111.db2.gz ACJBMABJPBFXPO-UHFFFAOYSA-N 1 0 263.297 1.514 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[NH2+]C2(CO)CCOCC2)c1 ZINC000354295843 156372351 /nfs/dbraw/zinc/37/23/51/156372351.db2.gz KASGRYAWHLVHBP-UHFFFAOYSA-N 1 0 296.323 1.105 20 5 CDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1COCCO1 ZINC000358230614 157897205 /nfs/dbraw/zinc/89/72/05/157897205.db2.gz YLOMFMLWSXUSJI-JSGCOSHPSA-N 1 0 294.351 1.921 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359297258 158204640 /nfs/dbraw/zinc/20/46/40/158204640.db2.gz YXJFZCSEGSRREB-RYUDHWBXSA-N 1 0 277.324 1.125 20 5 CDBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000359745455 158359380 /nfs/dbraw/zinc/35/93/80/158359380.db2.gz STOCPGHADLYYTH-VIFPVBQESA-N 1 0 297.359 1.477 20 5 CDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@]1(CO)CCOC1 ZINC000359839004 158394488 /nfs/dbraw/zinc/39/44/88/158394488.db2.gz XCZBFRAQXXVVTN-CQSZACIVSA-N 1 0 280.324 1.221 20 5 CDBDRO Cc1c(C[N@H+]2C[C@H](C)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000362090279 159067760 /nfs/dbraw/zinc/06/77/60/159067760.db2.gz MUOXSACJUTVWCO-GWCFXTLKSA-N 1 0 264.325 1.963 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CCCNC1=O ZINC000362201136 159096660 /nfs/dbraw/zinc/09/66/60/159096660.db2.gz UAOJKJVPKLHZIS-LBPRGKRZSA-N 1 0 263.297 1.305 20 5 CDBDRO C[C@@]1([NH2+]CCn2ccc([N+](=O)[O-])n2)CCO[C@@H]1C1CC1 ZINC000373280910 160188943 /nfs/dbraw/zinc/18/89/43/160188943.db2.gz NKEITZPXMAHDNU-CHWSQXEVSA-N 1 0 280.328 1.339 20 5 CDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000373428775 160200217 /nfs/dbraw/zinc/20/02/17/160200217.db2.gz ZMENROANZZHDRQ-HIFRSBDPSA-N 1 0 289.335 1.253 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C(N)=O ZINC000284750728 196123332 /nfs/dbraw/zinc/12/33/32/196123332.db2.gz FHDFJILTZMPNCI-BXKDBHETSA-N 1 0 263.297 1.148 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000262513766 412103590 /nfs/dbraw/zinc/10/35/90/412103590.db2.gz FGSCZVVJQDCYEV-VIFPVBQESA-N 1 0 279.340 1.969 20 5 CDBDRO O=C(NCC[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000034929639 171895820 /nfs/dbraw/zinc/89/58/20/171895820.db2.gz ZRZQZZGJUJPTSP-UHFFFAOYSA-N 1 0 278.312 1.812 20 5 CDBDRO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000035136204 172003993 /nfs/dbraw/zinc/00/39/93/172003993.db2.gz PJYSKNGTJSWQGC-SECBINFHSA-N 1 0 251.286 1.209 20 5 CDBDRO CCCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)C1CC[NH2+]CC1 ZINC000037537726 173257694 /nfs/dbraw/zinc/25/76/94/173257694.db2.gz MRFHLSJAXHZITH-UHFFFAOYSA-N 1 0 280.328 1.527 20 5 CDBDRO CSCC[C@H]([NH3+])C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000040458746 174268995 /nfs/dbraw/zinc/26/89/95/174268995.db2.gz RXPOOHRSNAWMAA-JTQLQIEISA-N 1 0 283.353 1.922 20 5 CDBDRO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000040634203 174360606 /nfs/dbraw/zinc/36/06/06/174360606.db2.gz XZDWIEVDFWHYAX-TVYUQYBPSA-N 1 0 293.323 1.149 20 5 CDBDRO [NH3+]CCCCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000040713333 174381764 /nfs/dbraw/zinc/38/17/64/174381764.db2.gz HQIQZHMPUAQAOW-UHFFFAOYSA-N 1 0 289.133 1.903 20 5 CDBDRO Cc1ccc(NC(=O)C[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000042165775 174648115 /nfs/dbraw/zinc/64/81/15/174648115.db2.gz LTAGUKXNZAKNDT-SNVBAGLBSA-N 1 0 263.297 1.984 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]C1)Nc1cccc([N+](=O)[O-])c1 ZINC000044502082 175186248 /nfs/dbraw/zinc/18/62/48/175186248.db2.gz DIVVTPGEWMXPTE-JTQLQIEISA-N 1 0 278.312 1.716 20 5 CDBDRO [NH3+]CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000044512566 175188338 /nfs/dbraw/zinc/18/83/38/175188338.db2.gz OFEPJWDBLXDDQL-UHFFFAOYSA-N 1 0 263.297 1.406 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1F ZINC000071396951 176150431 /nfs/dbraw/zinc/15/04/31/176150431.db2.gz HBZTZVVDGXARKE-QMMMGPOBSA-N 1 0 267.260 1.216 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000071397192 176150731 /nfs/dbraw/zinc/15/07/31/176150731.db2.gz HMCWZLJJCOKWIQ-SNVBAGLBSA-N 1 0 263.297 1.385 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])s1 ZINC000071397191 176150986 /nfs/dbraw/zinc/15/09/86/176150986.db2.gz HHCBKXNAXKHCNA-ZETCQYMHSA-N 1 0 255.299 1.138 20 5 CDBDRO Cc1c(CNC(=O)N[C@@H](C)CCC[NH3+])cccc1[N+](=O)[O-] ZINC000418079529 228013606 /nfs/dbraw/zinc/01/36/06/228013606.db2.gz KXUTYERPYJKICA-JTQLQIEISA-N 1 0 294.355 1.830 20 5 CDBDRO Cc1cc(NC[C@@H]2C[NH2+]CCN2C)ccc1[N+](=O)[O-] ZINC000394738409 270338757 /nfs/dbraw/zinc/33/87/57/270338757.db2.gz KTZPMTSAJOLNLD-LBPRGKRZSA-N 1 0 264.329 1.219 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1C[NH2+]CCN1C ZINC000394744690 270338744 /nfs/dbraw/zinc/33/87/44/270338744.db2.gz PKHQKEIZGHRCRS-NSHDSACASA-N 1 0 264.329 1.219 20 5 CDBDRO COC[C@H](CO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000280875399 274049285 /nfs/dbraw/zinc/04/92/85/274049285.db2.gz DCWFEWXRLYFVQM-FZMZJTMJSA-N 1 0 280.324 1.569 20 5 CDBDRO [NH3+][C@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000236337035 274962983 /nfs/dbraw/zinc/96/29/83/274962983.db2.gz VCRQZZHBKDTGBR-LURJTMIESA-N 1 0 276.218 1.546 20 5 CDBDRO CC(C)(C)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000106444939 275526677 /nfs/dbraw/zinc/52/66/77/275526677.db2.gz QEOPUGHWNVLXED-LBPRGKRZSA-N 1 0 279.340 1.627 20 5 CDBDRO CC[N@@H+]1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000264661973 276165289 /nfs/dbraw/zinc/16/52/89/276165289.db2.gz RFSUYCFPKMEGST-UHFFFAOYSA-N 1 0 250.302 1.522 20 5 CDBDRO CC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000236968014 276266377 /nfs/dbraw/zinc/26/63/77/276266377.db2.gz GPGPPUYKBZWWLL-UHFFFAOYSA-N 1 0 280.328 1.000 20 5 CDBDRO CC[N@H+](CCNC(=O)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000338767574 276345420 /nfs/dbraw/zinc/34/54/20/276345420.db2.gz OQXCTLYVYHOTCO-UHFFFAOYSA-N 1 0 293.367 1.984 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000109806338 276831134 /nfs/dbraw/zinc/83/11/34/276831134.db2.gz XRJLJMPYCRAMSQ-CYBMUJFWSA-N 1 0 293.367 2.000 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000053201955 277041965 /nfs/dbraw/zinc/04/19/65/277041965.db2.gz MPNGYRPJEFSKJD-JTQLQIEISA-N 1 0 281.287 1.558 20 5 CDBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ncc([N+](=O)[O-])cn3)C2)C1 ZINC000292913301 277072937 /nfs/dbraw/zinc/07/29/37/277072937.db2.gz XSHBUQCHTUHWCR-CYBMUJFWSA-N 1 0 277.328 1.307 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000366942115 277280595 /nfs/dbraw/zinc/28/05/95/277280595.db2.gz CMXAREZTJNERFT-JQWIXIFHSA-N 1 0 281.287 1.367 20 5 CDBDRO COC[C@@]1(CNc2c(F)cccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261778613 277583423 /nfs/dbraw/zinc/58/34/23/277583423.db2.gz PJRRWFJRWRUASK-ZDUSSCGKSA-N 1 0 283.303 1.914 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000189322675 278512769 /nfs/dbraw/zinc/51/27/69/278512769.db2.gz DNOPBOQVKDRHLT-BXKDBHETSA-N 1 0 299.352 1.014 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000261613864 278571069 /nfs/dbraw/zinc/57/10/69/278571069.db2.gz FJRCVJDKHVQXRZ-JRKPZEMJSA-N 1 0 295.314 1.850 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000347271543 279118976 /nfs/dbraw/zinc/11/89/76/279118976.db2.gz LXDVVGPGBTYWHV-SECBINFHSA-N 1 0 268.317 1.383 20 5 CDBDRO C[C@H](C[NH+]1CCCCC1)Nc1c([N+](=O)[O-])ncn1C ZINC000029623927 279304018 /nfs/dbraw/zinc/30/40/18/279304018.db2.gz IHDXZSPOMBTKKW-SNVBAGLBSA-N 1 0 267.333 1.615 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C[S@@](C)=O ZINC000449237108 279382797 /nfs/dbraw/zinc/38/27/97/279382797.db2.gz AODOMFBREROSSH-XCJKDKRRSA-N 1 0 284.381 1.882 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000237168090 280162147 /nfs/dbraw/zinc/16/21/47/280162147.db2.gz YLIJGUACUZIRII-VIFPVBQESA-N 1 0 297.380 1.902 20 5 CDBDRO Cc1sc(C(=O)N2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000237696830 280184988 /nfs/dbraw/zinc/18/49/88/280184988.db2.gz AGEROMRDJBEVDC-SECBINFHSA-N 1 0 283.353 1.776 20 5 CDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000237732851 280186228 /nfs/dbraw/zinc/18/62/28/280186228.db2.gz VJAYSOOBSUHZEE-SNVBAGLBSA-N 1 0 299.352 1.015 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@H](C[NH3+])C[C@@H]1C ZINC000216218927 280665562 /nfs/dbraw/zinc/66/55/62/280665562.db2.gz QQRMCBFEOMRFTA-UWVGGRQHSA-N 1 0 250.302 1.472 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000261658653 281013376 /nfs/dbraw/zinc/01/33/76/281013376.db2.gz YZUNYRVARUWPKV-CYBMUJFWSA-N 1 0 262.313 1.488 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000414655136 281018269 /nfs/dbraw/zinc/01/82/69/281018269.db2.gz GRHCMSROULYXHT-VIFPVBQESA-N 1 0 266.301 1.714 20 5 CDBDRO CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[NH+](C)C ZINC000524418711 281110474 /nfs/dbraw/zinc/11/04/74/281110474.db2.gz ZRZHZDPBBZAKRB-LLVKDONJSA-N 1 0 296.371 1.639 20 5 CDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000525021068 281114998 /nfs/dbraw/zinc/11/49/98/281114998.db2.gz NKKJUPNKUXVSGY-ZYHUDNBSSA-N 1 0 294.355 1.346 20 5 CDBDRO COC[C@](C)(O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532498946 281991583 /nfs/dbraw/zinc/99/15/83/281991583.db2.gz WBXVNNIPVRWVJS-SMDDNHRTSA-N 1 0 282.340 1.951 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NCC1(C[NH+](C)C)CCCC1 ZINC000353279370 282075366 /nfs/dbraw/zinc/07/53/66/282075366.db2.gz VUZACFHGYXNBFT-UHFFFAOYSA-N 1 0 281.360 1.862 20 5 CDBDRO C[NH+](C)CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000153849708 289184125 /nfs/dbraw/zinc/18/41/25/289184125.db2.gz XHTTYBUBKHLCNX-UHFFFAOYSA-N 1 0 277.324 1.647 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCSC1 ZINC000562990427 293236259 /nfs/dbraw/zinc/23/62/59/293236259.db2.gz YBRJSLQHXNUHPG-WDEREUQCSA-N 1 0 298.364 1.430 20 5 CDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000570910818 294330736 /nfs/dbraw/zinc/33/07/36/294330736.db2.gz IDSSGIBKHOVLLG-CMPLNLGQSA-N 1 0 292.339 1.521 20 5 CDBDRO CNc1ccc(-c2nc(C[C@H](C)[NH2+]C)no2)cc1[N+](=O)[O-] ZINC000572482106 294630867 /nfs/dbraw/zinc/63/08/67/294630867.db2.gz AZNPOKPILNDUJQ-QMMMGPOBSA-N 1 0 291.311 1.837 20 5 CDBDRO C[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000574179270 294960804 /nfs/dbraw/zinc/96/08/04/294960804.db2.gz DPFPMDFALWJGQQ-MNOVXSKESA-N 1 0 292.339 1.487 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000132026956 295253199 /nfs/dbraw/zinc/25/31/99/295253199.db2.gz JVWWKMNDSSSXDJ-ZETCQYMHSA-N 1 0 267.314 1.232 20 5 CDBDRO Cc1cnc(N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000272255904 302352739 /nfs/dbraw/zinc/35/27/39/302352739.db2.gz ZEWGPTDUEZJBEF-WCQYABFASA-N 1 0 276.340 1.829 20 5 CDBDRO CO[C@H](C)CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000574982626 316945319 /nfs/dbraw/zinc/94/53/19/316945319.db2.gz FTRLKVIHASWJPR-DGCLKSJQSA-N 1 0 298.339 1.349 20 5 CDBDRO CNc1ccc(C(=O)N[C@@](C)(C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000576944739 317235576 /nfs/dbraw/zinc/23/55/76/317235576.db2.gz GVKWYUOGUABLSQ-AWEZNQCLSA-N 1 0 294.355 1.740 20 5 CDBDRO COCC(C)(C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181726122 323245626 /nfs/dbraw/zinc/24/56/26/323245626.db2.gz OKFMXJBBJXAREP-NSHDSACASA-N 1 0 298.339 1.349 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH2+][C@H](C)[C@H]1C ZINC000379432339 323598373 /nfs/dbraw/zinc/59/83/73/323598373.db2.gz JHVAPNKJWRSZLS-GHMZBOCLSA-N 1 0 279.340 1.786 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000382421620 323639120 /nfs/dbraw/zinc/63/91/20/323639120.db2.gz KIGJCVYWZMYHIX-CFLAWFISSA-N 1 0 289.335 1.852 20 5 CDBDRO CN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC000384844230 323692385 /nfs/dbraw/zinc/69/23/85/323692385.db2.gz WPULQKHRSHLHMO-CKXPSTMWSA-N 1 0 289.335 1.804 20 5 CDBDRO CNc1ccc(C(=O)NCC2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000397731991 323864947 /nfs/dbraw/zinc/86/49/47/323864947.db2.gz ANXOXFPGFWQOHN-UHFFFAOYSA-N 1 0 292.339 1.461 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000578750738 324012992 /nfs/dbraw/zinc/01/29/92/324012992.db2.gz ZDEMNMIIXCBQEK-VHSXEESVSA-N 1 0 275.308 1.482 20 5 CDBDRO Cc1nc(N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000579796542 324280974 /nfs/dbraw/zinc/28/09/74/324280974.db2.gz WMRNSWFIZWVJEW-UWVGGRQHSA-N 1 0 265.317 1.222 20 5 CDBDRO O=C1CCCN1CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000582671162 325022113 /nfs/dbraw/zinc/02/21/13/325022113.db2.gz IIOIUEZKAMUYLO-UTCJRWHESA-N 1 0 289.335 1.820 20 5 CDBDRO COc1cc(C(=O)N(C)[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1C ZINC000583198586 325125826 /nfs/dbraw/zinc/12/58/26/325125826.db2.gz PFTAZFNPIRUNCS-NSHDSACASA-N 1 0 293.323 1.346 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000287455893 533731021 /nfs/dbraw/zinc/73/10/21/533731021.db2.gz XHDWYFJAVBEHCV-QWRGUYRKSA-N 1 0 294.355 1.905 20 5 CDBDRO Cc1c(CNC(=O)N2CC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000418076668 533856161 /nfs/dbraw/zinc/85/61/61/533856161.db2.gz GXQMPLVYILFEBG-LLVKDONJSA-N 1 0 278.312 1.146 20 5 CDBDRO Cc1cnc(C[NH3+])n1-c1cc(F)cc([N+](=O)[O-])c1C ZINC001169029592 1161997592 /nfs/dbraw/zinc/99/75/92/1161997592.db2.gz WONKXRXGMSDITP-UHFFFAOYSA-N 1 0 264.260 1.995 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2)C1 ZINC001168967146 1161996196 /nfs/dbraw/zinc/99/61/96/1161996196.db2.gz NRNSTLSAPYXGQG-RDBSUJKOSA-N 1 0 294.351 1.461 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1NCC[C@H]1CCC[NH2+]1 ZINC001169564774 1162012695 /nfs/dbraw/zinc/01/26/95/1162012695.db2.gz SLDBHHQTZYGCLT-SECBINFHSA-N 1 0 266.301 1.552 20 5 CDBDRO CC(C)(CC(N)=O)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000186214652 519201765 /nfs/dbraw/zinc/20/17/65/519201765.db2.gz HBCNFEVLVPFDJL-UHFFFAOYSA-N 1 0 251.286 1.338 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000338420315 519618231 /nfs/dbraw/zinc/61/82/31/519618231.db2.gz GFIKLPIARAYXMG-UHFFFAOYSA-N 1 0 295.339 1.430 20 5 CDBDRO CC(C)[NH+](CCNC(=O)c1ccc([N+](=O)[O-])[nH]1)C(C)C ZINC000340460372 519648130 /nfs/dbraw/zinc/64/81/30/519648130.db2.gz OSBOFASNAMWENW-UHFFFAOYSA-N 1 0 282.344 1.772 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000050708950 520717993 /nfs/dbraw/zinc/71/79/93/520717993.db2.gz UKHQVRNERPNGRH-SNVBAGLBSA-N 1 0 294.355 1.637 20 5 CDBDRO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C[NH3+] ZINC000163526141 524269731 /nfs/dbraw/zinc/26/97/31/524269731.db2.gz PSULRNUGEOLMKM-IUCAKERBSA-N 1 0 283.353 1.713 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000235364405 524853083 /nfs/dbraw/zinc/85/30/83/524853083.db2.gz HNAVCVHCUPPTQD-RDDDGLTNSA-N 1 0 267.260 1.153 20 5 CDBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000340935288 525281638 /nfs/dbraw/zinc/28/16/38/525281638.db2.gz WVUYNIGECCNQGX-ZYHUDNBSSA-N 1 0 266.297 1.429 20 5 CDBDRO C[NH2+][C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261669917 536412950 /nfs/dbraw/zinc/41/29/50/536412950.db2.gz ZWKIFNPJQXAWEG-NSHDSACASA-N 1 0 267.304 1.918 20 5 CDBDRO Cc1nc([N+](=O)[O-])cn1Cc1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000339391118 527090174 /nfs/dbraw/zinc/09/01/74/527090174.db2.gz XATWAXSXXLPRLD-VIFPVBQESA-N 1 0 294.315 1.577 20 5 CDBDRO CC[N@H+](CCNc1ncc([N+](=O)[O-])s1)C1CC1 ZINC000193856459 535741529 /nfs/dbraw/zinc/74/15/29/535741529.db2.gz KSDKRUQEGBAPHW-UHFFFAOYSA-N 1 0 256.331 1.948 20 5 CDBDRO CC[C@H](NC(=O)[C@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000262530038 535839876 /nfs/dbraw/zinc/83/98/76/535839876.db2.gz LVYNZFBSJDVQJC-SKDRFNHKSA-N 1 0 265.313 1.757 20 5 CDBDRO CCc1nn(C)c(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000250144218 536182965 /nfs/dbraw/zinc/18/29/65/536182965.db2.gz XQUQXUHNOGWLPB-QWRGUYRKSA-N 1 0 293.371 1.929 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(CC(N)=O)CC1 ZINC000421353711 538430222 /nfs/dbraw/zinc/43/02/22/538430222.db2.gz UIFLSKBERAFBFJ-NSHDSACASA-N 1 0 291.351 1.771 20 5 CDBDRO CN1CC[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000774165666 575185984 /nfs/dbraw/zinc/18/59/84/575185984.db2.gz QOCJQQWBHCOWTE-RWMBFGLXSA-N 1 0 293.371 1.569 20 5 CDBDRO CC(C)(C)C[N@H+](CCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750068388 576974855 /nfs/dbraw/zinc/97/48/55/576974855.db2.gz VKEDPKZBNHAKLG-CQSZACIVSA-N 1 0 296.367 1.969 20 5 CDBDRO CCOc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)o1 ZINC000893136636 617403840 /nfs/dbraw/zinc/40/38/40/617403840.db2.gz YOWMADKVTCCVDZ-UHFFFAOYSA-N 1 0 280.284 1.573 20 5 CDBDRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925640743 617584671 /nfs/dbraw/zinc/58/46/71/617584671.db2.gz IZHGLECCDFBRRC-DGCLKSJQSA-N 1 0 291.351 1.784 20 5 CDBDRO COc1ccc(CN2CC[C@H]2CO)cc1[N+](=O)[O-] ZINC000934027044 617852248 /nfs/dbraw/zinc/85/22/48/617852248.db2.gz QOZUSUPXOPHIIX-JTQLQIEISA-N 1 0 252.270 1.170 20 5 CDBDRO CC[NH+]1CCC(CNc2c([N+](=O)[O-])cnn2C)CC1 ZINC000891981791 617935927 /nfs/dbraw/zinc/93/59/27/617935927.db2.gz BAMIZTOHKSKDCJ-UHFFFAOYSA-N 1 0 267.333 1.472 20 5 CDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2c2ncc([N+](=O)[O-])s2)C1 ZINC000893938841 618201575 /nfs/dbraw/zinc/20/15/75/618201575.db2.gz GNEKWRSQGIDKKL-YUMQZZPRSA-N 1 0 254.315 1.192 20 5 CDBDRO Cc1nc(N2CC[C@H]3C[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000893941119 618204146 /nfs/dbraw/zinc/20/41/46/618204146.db2.gz QTZRHDVBXREHJX-CMPLNLGQSA-N 1 0 262.313 1.439 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841103925 618683226 /nfs/dbraw/zinc/68/32/26/618683226.db2.gz SRKIJDBMSNPLHH-ZCFIWIBFSA-N 1 0 272.692 1.717 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@@H]2C[C@]2(C)OC)c1[N+](=O)[O-] ZINC000895459033 619676169 /nfs/dbraw/zinc/67/61/69/619676169.db2.gz KQUARQPQKCHYJX-MFKMUULPSA-N 1 0 282.296 1.576 20 5 CDBDRO O=[N+]([O-])CC[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000905080969 626393641 /nfs/dbraw/zinc/39/36/41/626393641.db2.gz FINMIGSOUBPFSG-UHFFFAOYSA-N 1 0 260.240 1.697 20 5 CDBDRO CC(C)(C)OC(=O)N1CC[C@@H](CC[NH2+]CC[N+](=O)[O-])C1 ZINC000905098371 626637410 /nfs/dbraw/zinc/63/74/10/626637410.db2.gz RXUIZKZJIOKCPM-LLVKDONJSA-N 1 0 287.360 1.500 20 5 CDBDRO COc1ccc(C2(C[NH2+]CC[N+](=O)[O-])CCC2)cc1 ZINC000905209191 626692920 /nfs/dbraw/zinc/69/29/20/626692920.db2.gz PMFVJHFFJQROTB-UHFFFAOYSA-N 1 0 264.325 1.983 20 5 CDBDRO O=[N+]([O-])CCNCc1c(F)cccc1N1CCCC1 ZINC000905255831 626707818 /nfs/dbraw/zinc/70/78/18/626707818.db2.gz NUPZUOQQUHXVLB-UHFFFAOYSA-N 1 0 267.304 1.792 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000905234819 626716544 /nfs/dbraw/zinc/71/65/44/626716544.db2.gz WEIDFVPXMLZMFZ-CQSZACIVSA-N 1 0 295.408 1.470 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)c1ccccc1Br ZINC000905366757 626785948 /nfs/dbraw/zinc/78/59/48/626785948.db2.gz HYJSLISVEDTZOY-SNVBAGLBSA-N 1 0 289.129 1.349 20 5 CDBDRO C[C@]1([NH3+])CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000906634397 627362106 /nfs/dbraw/zinc/36/21/06/627362106.db2.gz AOSPVTASHRYIGB-YDHLFZDLSA-N 1 0 289.335 1.648 20 5 CDBDRO C[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000911677838 629408812 /nfs/dbraw/zinc/40/88/12/629408812.db2.gz UIPMKJHUASHGQF-UHFFFAOYSA-N 1 0 283.353 1.656 20 5 CDBDRO CCCCCCNC(=O)[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929423145 630639916 /nfs/dbraw/zinc/63/99/16/630639916.db2.gz FEIBOWDOBOKGRU-ZDUSSCGKSA-N 1 0 285.388 1.672 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)CCO)c([N+](=O)[O-])c1 ZINC001170297905 1162328891 /nfs/dbraw/zinc/32/88/91/1162328891.db2.gz VLYNCJJFNWFFMV-MNOVXSKESA-N 1 0 282.340 1.895 20 5 CDBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ncccc2[N+](=O)[O-])O1 ZINC001170278442 1162330911 /nfs/dbraw/zinc/33/09/11/1162330911.db2.gz PPKNWHBSJGAWNG-NQBHXWOUSA-N 1 0 296.327 1.127 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170307817 1162339974 /nfs/dbraw/zinc/33/99/74/1162339974.db2.gz IHYQLHDAJWWCMQ-GMXVVIOVSA-N 1 0 294.351 1.895 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]CC(C)=O)c([N+](=O)[O-])c1 ZINC001170308110 1162339990 /nfs/dbraw/zinc/33/99/90/1162339990.db2.gz KIOQBABTAPTTHD-SECBINFHSA-N 1 0 266.297 1.713 20 5 CDBDRO COc1cc(N2CCC[C@@H]([NH3+])[C@H]2C)ncc1[N+](=O)[O-] ZINC001157741435 1162373560 /nfs/dbraw/zinc/37/35/60/1162373560.db2.gz LAAWOEHDEJRWLS-RKDXNWHRSA-N 1 0 266.301 1.314 20 5 CDBDRO Cc1ccnc(N(C(C)C)[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC001158020648 1162682566 /nfs/dbraw/zinc/68/25/66/1162682566.db2.gz BCVXXHIYNFLKGC-NSHDSACASA-N 1 0 264.329 1.875 20 5 CDBDRO CCOC(=O)c1cnc(-n2cccc2C[NH3+])c([N+](=O)[O-])c1 ZINC001167581743 1159133662 /nfs/dbraw/zinc/13/36/62/1159133662.db2.gz IZWSBVOBFAXAOQ-UHFFFAOYSA-N 1 0 290.279 1.416 20 5 CDBDRO [NH3+][C@H]1CCN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])C1 ZINC001156229343 1161990702 /nfs/dbraw/zinc/99/07/02/1161990702.db2.gz ZGTGCZLDDWQIOR-BYPYZUCNSA-N 1 0 278.099 1.229 20 5 CDBDRO CC(=O)Nc1ccc(-n2c(C)cnc2C[NH3+])cc1[N+](=O)[O-] ZINC001169029511 1161997865 /nfs/dbraw/zinc/99/78/65/1161997865.db2.gz TXPSPBRVHNFBMO-UHFFFAOYSA-N 1 0 289.295 1.506 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(-n2ccc3c2CC[NH2+]C3)n1 ZINC001157444822 1162087598 /nfs/dbraw/zinc/08/75/98/1162087598.db2.gz UJWYHRASROCZNW-UHFFFAOYSA-N 1 0 259.269 1.130 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCCOCC2)c1 ZINC000819211247 1164199133 /nfs/dbraw/zinc/19/91/33/1164199133.db2.gz XOMQXZBUIYZZSB-TZMCWYRMSA-N 1 0 280.324 1.787 20 5 CDBDRO O=[N+]([O-])c1ccc(CNc2cc[nH+]cc2-c2nn[nH]n2)cc1 ZINC001609601392 1164999792 /nfs/dbraw/zinc/99/97/92/1164999792.db2.gz KFRQQFJIYXJTQK-UHFFFAOYSA-N 1 0 297.278 1.204 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000876525489 1165861594 /nfs/dbraw/zinc/86/15/94/1165861594.db2.gz LFLSGUFOXBYHFP-GFCCVEGCSA-N 1 0 291.351 1.941 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000876518752 1165862302 /nfs/dbraw/zinc/86/23/02/1165862302.db2.gz YFYUNMGRKOEROE-LLVKDONJSA-N 1 0 277.324 1.632 20 5 CDBDRO Nc1nc(N[C@H]2C[NH2+]Cc3ccsc32)ccc1[N+](=O)[O-] ZINC001155560142 1167231720 /nfs/dbraw/zinc/23/17/20/1167231720.db2.gz ABSKFLXRSAEVAK-QMMMGPOBSA-N 1 0 291.336 1.890 20 5 CDBDRO CC(C)(C)c1ccc(C(=O)NC[C@@H]2CC[NH2+]2)cc1[N+](=O)[O-] ZINC001575273185 1171142282 /nfs/dbraw/zinc/14/22/82/1171142282.db2.gz VSBCMCVGKZPKKX-NSHDSACASA-N 1 0 291.351 1.984 20 5 CDBDRO C[C@@H](NC(=O)N1C[C@H]([NH3+])C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001576607929 1171467201 /nfs/dbraw/zinc/46/72/01/1171467201.db2.gz LMFIEOMATWYRAB-HOSYDEDBSA-N 1 0 292.339 1.787 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](CC[NH3+])C1 ZINC000070171260 1171646006 /nfs/dbraw/zinc/64/60/06/1171646006.db2.gz DAPXGCCAXONRLB-LLVKDONJSA-N 1 0 264.329 1.863 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]C[C@H]1F ZINC001579734143 1172250570 /nfs/dbraw/zinc/25/05/70/1172250570.db2.gz PKSZMJLSBRPYAE-NEPJUHHUSA-N 1 0 281.287 1.333 20 5 CDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CNC2C[NH2+]C2)c1 ZINC001580875749 1172557159 /nfs/dbraw/zinc/55/71/59/1172557159.db2.gz QACXPBXHUBNSFS-UHFFFAOYSA-N 1 0 273.239 1.258 20 5 CDBDRO C[NH2+][C@@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000234466582 1178218416 /nfs/dbraw/zinc/21/84/16/1178218416.db2.gz OVJQBDOSCZAWPB-SSDOTTSWSA-N 1 0 290.245 1.807 20 5 CDBDRO [NH3+][C@@H]1C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C12CCC2 ZINC000404634315 1186530363 /nfs/dbraw/zinc/53/03/63/1186530363.db2.gz IMXNFKQYUBFPSL-RKDXNWHRSA-N 1 0 281.337 1.656 20 5 CDBDRO COc1cc(N2CC[NH+](CC(C)C)CC2)ncc1[N+](=O)[O-] ZINC001164654373 719332176 /nfs/dbraw/zinc/33/21/76/719332176.db2.gz OOAWMCHXWSTHMG-UHFFFAOYSA-N 1 0 294.355 1.776 20 5 CDBDRO C[N@@H+]1CCO[C@@H]2CN(c3cc(Cl)ncc3[N+](=O)[O-])C[C@H]21 ZINC001164669522 719377841 /nfs/dbraw/zinc/37/78/41/719377841.db2.gz QNDSIHRJKWXSEG-GHMZBOCLSA-N 1 0 298.730 1.162 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCN(C3CC3)C2)c1 ZINC000818976336 828395808 /nfs/dbraw/zinc/39/58/08/828395808.db2.gz AIUQHGZASQYHOC-DOMZBBRYSA-N 1 0 291.351 1.455 20 5 CDBDRO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000854496948 828410703 /nfs/dbraw/zinc/41/07/03/828410703.db2.gz VDNVQOOMFLYYNE-LBPRGKRZSA-N 1 0 292.339 1.990 20 5 CDBDRO [NH3+][C@H](Cc1nc(-c2ccc([N+](=O)[O-])s2)no1)C1CC1 ZINC000843218737 822668991 /nfs/dbraw/zinc/66/89/91/822668991.db2.gz FCFLMHSWLKNTIL-SSDOTTSWSA-N 1 0 280.309 1.986 20 5 CDBDRO C[C@H](C[NH3+])c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000822635110 822677551 /nfs/dbraw/zinc/67/75/51/822677551.db2.gz PWIIJPAUWDNGAE-ZCFIWIBFSA-N 1 0 263.257 1.289 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843474689 822719287 /nfs/dbraw/zinc/71/92/87/822719287.db2.gz VJBBTHITVJLFEB-LURJTMIESA-N 1 0 289.694 1.393 20 5 CDBDRO C[C@H]1CCCN(Cc2cccnc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000886830790 828486105 /nfs/dbraw/zinc/48/61/05/828486105.db2.gz XJILXMIPQSGYMK-JQWIXIFHSA-N 1 0 264.329 1.549 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CC[NH2+][C@@H]1C)CC2 ZINC000843492899 828499697 /nfs/dbraw/zinc/49/96/97/828499697.db2.gz AFAFAVBXYJNBKS-ZYHUDNBSSA-N 1 0 289.335 1.790 20 5 CDBDRO CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1(C)C ZINC000110733007 828539451 /nfs/dbraw/zinc/53/94/51/828539451.db2.gz LBDVLCWBSIOAAY-UHFFFAOYSA-N 1 0 295.314 1.900 20 5 CDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000128517404 823755574 /nfs/dbraw/zinc/75/55/74/823755574.db2.gz XAYLYMCHHCMGRF-NWDGAFQWSA-N 1 0 295.295 1.752 20 5 CDBDRO CC1(C)CNC(=O)[C@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000931650735 823823364 /nfs/dbraw/zinc/82/33/64/823823364.db2.gz BSPINZHHOJSJSR-LLVKDONJSA-N 1 0 297.742 1.862 20 5 CDBDRO [NH3+]CCc1noc(COc2ccc([N+](=O)[O-])cc2)n1 ZINC000843129771 823834860 /nfs/dbraw/zinc/83/48/60/823834860.db2.gz VXJGDEAXCOSDLA-UHFFFAOYSA-N 1 0 264.241 1.058 20 5 CDBDRO CCCNC(=O)C1([NH2+]CC[N+](=O)[O-])CCCCC1 ZINC000930017923 823870586 /nfs/dbraw/zinc/87/05/86/823870586.db2.gz LVFZSGTUXMGFDQ-UHFFFAOYSA-N 1 0 257.334 1.082 20 5 CDBDRO CC(C)=CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001045437173 824059626 /nfs/dbraw/zinc/05/96/26/824059626.db2.gz HCKVPNURBOXFHS-CHWSQXEVSA-N 1 0 295.383 1.589 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000876792918 824230066 /nfs/dbraw/zinc/23/00/66/824230066.db2.gz ZIDROYKQSSDGFQ-UHFFFAOYSA-N 1 0 265.313 1.503 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)O[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000810840518 824331712 /nfs/dbraw/zinc/33/17/12/824331712.db2.gz HIMRDYIXDAVNTL-JQWIXIFHSA-N 1 0 293.323 1.717 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865537308 824353658 /nfs/dbraw/zinc/35/36/58/824353658.db2.gz GVGJWMXRRVIMCP-SNVBAGLBSA-N 1 0 297.330 1.614 20 5 CDBDRO Cn1nccc1CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000231033191 824385300 /nfs/dbraw/zinc/38/53/00/824385300.db2.gz QGJFIMOCUGNLNY-UHFFFAOYSA-N 1 0 260.297 1.661 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(CO)(CO)CC2)cc1 ZINC000877798441 824442924 /nfs/dbraw/zinc/44/29/24/824442924.db2.gz RNECOEPHHYISJH-UHFFFAOYSA-N 1 0 294.351 1.204 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000886325865 828651126 /nfs/dbraw/zinc/65/11/26/828651126.db2.gz SSLMWLKUAPUJRA-NTZNESFSSA-N 1 0 278.308 1.286 20 5 CDBDRO CCC[N@H+](Cc1cccnc1[N+](=O)[O-])CC(C)(C)O ZINC000885989212 824519032 /nfs/dbraw/zinc/51/90/32/824519032.db2.gz YNAHKMAOJIVOIZ-UHFFFAOYSA-N 1 0 267.329 1.973 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)c1[N+](=O)[O-] ZINC000261616308 824545047 /nfs/dbraw/zinc/54/50/47/824545047.db2.gz UBXDVPFDWBKGEK-GXSJLCMTSA-N 1 0 263.297 1.465 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H](C)N1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923332902 824647176 /nfs/dbraw/zinc/64/71/76/824647176.db2.gz NLEPHABBRXHSBW-WDMOLILDSA-N 1 0 279.340 1.310 20 5 CDBDRO CC(C)(CCc1nc(C2([NH3+])CCCC2)no1)[N+](=O)[O-] ZINC000842592678 824801549 /nfs/dbraw/zinc/80/15/49/824801549.db2.gz OLTQJERKQOSIIC-UHFFFAOYSA-N 1 0 268.317 1.786 20 5 CDBDRO C[N@@H+]1CC[C@H]2CN(Cc3cccnc3[N+](=O)[O-])CC[C@H]21 ZINC000886310508 824812571 /nfs/dbraw/zinc/81/25/71/824812571.db2.gz MQHPBXBKBXQFLV-WCQYABFASA-N 1 0 276.340 1.516 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923284540 824828859 /nfs/dbraw/zinc/82/88/59/824828859.db2.gz OSOGWQHIXASDDG-TZMCWYRMSA-N 1 0 279.340 1.312 20 5 CDBDRO Cc1ccc(Cn2cc([C@H](C)[NH3+])nn2)cc1[N+](=O)[O-] ZINC000714021694 824977720 /nfs/dbraw/zinc/97/77/20/824977720.db2.gz WDDUHPXHSYPPQF-VIFPVBQESA-N 1 0 261.285 1.563 20 5 CDBDRO COC(=O)N[C@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000886848898 824996503 /nfs/dbraw/zinc/99/65/03/824996503.db2.gz SNQBJFPLULEMEO-LBPRGKRZSA-N 1 0 293.323 1.834 20 5 CDBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000856795749 825078023 /nfs/dbraw/zinc/07/80/23/825078023.db2.gz IVKRKZQNOHWEDN-KYOSRNDESA-N 1 0 294.351 1.579 20 5 CDBDRO C[C@@H]1CCC[N@@H+]1CCNc1ncc([N+](=O)[O-])s1 ZINC000799939171 825078228 /nfs/dbraw/zinc/07/82/28/825078228.db2.gz FGFVUXZEMNSHQC-MRVPVSSYSA-N 1 0 256.331 1.948 20 5 CDBDRO C[C@H](CO)CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819190650 825083664 /nfs/dbraw/zinc/08/36/64/825083664.db2.gz KYYIAHWRNRSFNL-FZMZJTMJSA-N 1 0 282.340 1.626 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000089090805 825107764 /nfs/dbraw/zinc/10/77/64/825107764.db2.gz PVNMNALHKVOMRO-WCQYABFASA-N 1 0 277.324 1.381 20 5 CDBDRO C[C@@H]1CC[C@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000877832032 825118281 /nfs/dbraw/zinc/11/82/81/825118281.db2.gz FHHHEDBFUDAQGF-DZGBDDFRSA-N 1 0 294.351 1.767 20 5 CDBDRO CCCc1[nH]nc(C(=O)OCC[NH+](CC)CC)c1[N+](=O)[O-] ZINC000796265345 825166038 /nfs/dbraw/zinc/16/60/38/825166038.db2.gz KUEGKFJXHPVAQI-UHFFFAOYSA-N 1 0 298.343 1.769 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H](C)[NH3+])c1C ZINC000884022799 825187080 /nfs/dbraw/zinc/18/70/80/825187080.db2.gz QSYQIENNKUPPQJ-VIFPVBQESA-N 1 0 265.313 1.679 20 5 CDBDRO CC[NH2+][C@H](C)c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000863676899 828746614 /nfs/dbraw/zinc/74/66/14/828746614.db2.gz DVEHFCWFZUVAMQ-ZCFIWIBFSA-N 1 0 252.230 1.908 20 5 CDBDRO C[C@H]1[NH2+]CCN(Cc2cccnc2[N+](=O)[O-])[C@@H]1C ZINC000886838308 825244498 /nfs/dbraw/zinc/24/44/98/825244498.db2.gz VHJFDDZYLFQANG-NXEZZACHSA-N 1 0 250.302 1.172 20 5 CDBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000776771385 825248480 /nfs/dbraw/zinc/24/84/80/825248480.db2.gz GXMKYMRVCJGFJQ-GFCCVEGCSA-N 1 0 280.328 1.640 20 5 CDBDRO CCn1nncc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863561407 825316889 /nfs/dbraw/zinc/31/68/89/825316889.db2.gz YPPYBOGYLZAGKY-ZDUSSCGKSA-N 1 0 291.311 1.029 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2C[NH2+]CCO2)n1 ZINC000822807998 825373787 /nfs/dbraw/zinc/37/37/87/825373787.db2.gz NHXQOTLOMQQVKZ-LLVKDONJSA-N 1 0 290.279 1.614 20 5 CDBDRO C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCCCC1 ZINC000840268661 825482413 /nfs/dbraw/zinc/48/24/13/825482413.db2.gz VNXLGFWDCRNKLT-JHJVBQTASA-N 1 0 283.372 1.278 20 5 CDBDRO CC[C@H](C)NC(=[NH2+])NCCOc1ccc([N+](=O)[O-])cc1 ZINC000849007500 825493593 /nfs/dbraw/zinc/49/35/93/825493593.db2.gz SZLLKAUBXNFPPT-JTQLQIEISA-N 1 0 280.328 1.886 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000701446558 825579533 /nfs/dbraw/zinc/57/95/33/825579533.db2.gz LQTHGJPPUURQSR-DAGBOUIGSA-N 1 0 263.297 1.332 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@H](C)[NH3+] ZINC000877106555 828809254 /nfs/dbraw/zinc/80/92/54/828809254.db2.gz SKRXZWYPKIBOJN-JTQLQIEISA-N 1 0 279.340 1.939 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H]2CCO)c1 ZINC000778267222 828817239 /nfs/dbraw/zinc/81/72/39/828817239.db2.gz CECLBYOSBOVYNC-OCCSQVGLSA-N 1 0 280.324 1.475 20 5 CDBDRO CC(C)[C@@H](CCO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000227011871 825781099 /nfs/dbraw/zinc/78/10/99/825781099.db2.gz NICZYAMAOLKMRB-ZIAGYGMSSA-N 1 0 282.340 1.625 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877394373 825824167 /nfs/dbraw/zinc/82/41/67/825824167.db2.gz VMCRTNQORVZRTO-HIFRSBDPSA-N 1 0 289.335 1.918 20 5 CDBDRO Cc1c(C[NH2+][C@H]2CCCN(C)C2=O)cccc1[N+](=O)[O-] ZINC000704365876 825866793 /nfs/dbraw/zinc/86/67/93/825866793.db2.gz FBESWPBERISXPH-LBPRGKRZSA-N 1 0 277.324 1.614 20 5 CDBDRO Cc1nn(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1[N+](=O)[O-] ZINC000174088584 825876044 /nfs/dbraw/zinc/87/60/44/825876044.db2.gz IWGCHNZUAOLGOQ-OLZOCXBDSA-N 1 0 293.371 1.534 20 5 CDBDRO CC(C)CN(CC[NH+](C)C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823123586 826034377 /nfs/dbraw/zinc/03/43/77/826034377.db2.gz BUUWEPYVMVKLJA-UHFFFAOYSA-N 1 0 287.404 1.868 20 5 CDBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC1CCOCC1 ZINC000776597463 826072629 /nfs/dbraw/zinc/07/26/29/826072629.db2.gz MJSWDZOPDQEGRF-HNNXBMFYSA-N 1 0 294.351 1.987 20 5 CDBDRO C[NH+](C)C[C@@H](CO)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000716783587 826175901 /nfs/dbraw/zinc/17/59/01/826175901.db2.gz VQGROUHNGWINMA-VIFPVBQESA-N 1 0 273.720 1.583 20 5 CDBDRO C[C@@H]([NH2+][C@H](CO)CC(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815620347 826275545 /nfs/dbraw/zinc/27/55/45/826275545.db2.gz OLXDNGUZMOIXRJ-APPZFPTMSA-N 1 0 289.282 1.844 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000715067705 826382044 /nfs/dbraw/zinc/38/20/44/826382044.db2.gz YOHMMLOXQPVMJH-AOOOYVTPSA-N 1 0 263.297 1.370 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H](CCCO)C2)c1 ZINC000832783336 826386299 /nfs/dbraw/zinc/38/62/99/826386299.db2.gz QCJGMHNVAQHELX-WFASDCNBSA-N 1 0 294.351 1.723 20 5 CDBDRO C[C@H]1CC[NH2+][C@@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000126885092 826541930 /nfs/dbraw/zinc/54/19/30/826541930.db2.gz PDTWNPQXBZOFKU-SMDDNHRTSA-N 1 0 291.351 1.642 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823987872 826744944 /nfs/dbraw/zinc/74/49/44/826744944.db2.gz SCLUCQLCEKTSNB-VIFPVBQESA-N 1 0 295.343 1.639 20 5 CDBDRO O=[N+]([O-])CC[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000929929302 826755376 /nfs/dbraw/zinc/75/53/76/826755376.db2.gz HKKFYUOHVKTMTO-KGLIPLIRSA-N 1 0 264.325 1.851 20 5 CDBDRO C[NH+](C)CCn1ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])n1 ZINC000822883423 826763799 /nfs/dbraw/zinc/76/37/99/826763799.db2.gz DAAUILNZNHTYFH-UHFFFAOYSA-N 1 0 297.359 1.219 20 5 CDBDRO CC[C@@H]1[NH2+]CC[C@H]1c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000823087399 826768702 /nfs/dbraw/zinc/76/87/02/826768702.db2.gz BLKIENBDFWHBMR-SFYZADRCSA-N 1 0 292.299 1.234 20 5 CDBDRO CCC1([NH+]2CCC2)CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000884474543 826817034 /nfs/dbraw/zinc/81/70/34/826817034.db2.gz DNQQYNOWASXPNR-UHFFFAOYSA-N 1 0 293.371 1.699 20 5 CDBDRO CO[C@@H]1COC[C@@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839200714 826830715 /nfs/dbraw/zinc/83/07/15/826830715.db2.gz ZEEMWTLLOSXRDC-CMPLNLGQSA-N 1 0 286.715 1.752 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H](OCCO)C1 ZINC000172295423 826841024 /nfs/dbraw/zinc/84/10/24/826841024.db2.gz QMXOVAUQDXUHCP-CYBMUJFWSA-N 1 0 298.314 1.707 20 5 CDBDRO CO[C@@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000840128034 826841105 /nfs/dbraw/zinc/84/11/05/826841105.db2.gz UMEFNTALUYPYNU-MWLCHTKSSA-N 1 0 254.290 1.106 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)c2ccccn2)cc1 ZINC000853063083 826858446 /nfs/dbraw/zinc/85/84/46/826858446.db2.gz ZOXNBCZGIOJJDY-OAHLLOKOSA-N 1 0 287.319 1.856 20 5 CDBDRO CO[C@H](C)C[N@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000795754064 826867272 /nfs/dbraw/zinc/86/72/72/826867272.db2.gz YIOCLJUZJAUUGC-SNVBAGLBSA-N 1 0 278.312 1.869 20 5 CDBDRO C[C@H](NCC1([NH3+])CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817964785 826880598 /nfs/dbraw/zinc/88/05/98/826880598.db2.gz INIINMURRMVZRW-VIFPVBQESA-N 1 0 264.329 1.709 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866370805 826883566 /nfs/dbraw/zinc/88/35/66/826883566.db2.gz FCSZWQIFEFFJLE-NXEZZACHSA-N 1 0 297.330 1.779 20 5 CDBDRO C[C@H]([NH3+])CN(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000877101966 826887963 /nfs/dbraw/zinc/88/79/63/826887963.db2.gz VZLIJIQLZOHGEG-JTQLQIEISA-N 1 0 265.313 1.333 20 5 CDBDRO C[C@H](CO)CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000228353026 826895089 /nfs/dbraw/zinc/89/50/89/826895089.db2.gz QCHBJSQUXRYEGL-SMDDNHRTSA-N 1 0 282.340 1.626 20 5 CDBDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000720950427 826939305 /nfs/dbraw/zinc/93/93/05/826939305.db2.gz SOJXISNZUZJJDR-XYPYZODXSA-N 1 0 266.297 1.464 20 5 CDBDRO [NH3+][C@H](CC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000123888307 826983288 /nfs/dbraw/zinc/98/32/88/826983288.db2.gz KXSJEAUSFCJWGZ-CYBMUJFWSA-N 1 0 277.324 1.381 20 5 CDBDRO CC(C)(O)C1C[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000780280065 827170149 /nfs/dbraw/zinc/17/01/49/827170149.db2.gz SUYJJXDDLYBOAV-ZDUSSCGKSA-N 1 0 280.324 1.331 20 5 CDBDRO C[C@@]1(O)CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000791632752 827261556 /nfs/dbraw/zinc/26/15/56/827261556.db2.gz RDRVAZGHNFOKAN-HUUCEWRRSA-N 1 0 294.351 1.865 20 5 CDBDRO C[NH2+]CCCNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000876508395 827387459 /nfs/dbraw/zinc/38/74/59/827387459.db2.gz ZUYHQLQUNZXVIZ-UHFFFAOYSA-N 1 0 265.313 1.551 20 5 CDBDRO C[C@@H]([NH2+]CCN1CCCC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846206334 827418863 /nfs/dbraw/zinc/41/88/63/827418863.db2.gz PQDCHWCKLGGIFM-SNVBAGLBSA-N 1 0 292.339 1.450 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000843482812 827464348 /nfs/dbraw/zinc/46/43/48/827464348.db2.gz CGYALLIQFIWHMT-VIFPVBQESA-N 1 0 269.276 1.509 20 5 CDBDRO CCN(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CC1 ZINC000192992549 827571261 /nfs/dbraw/zinc/57/12/61/827571261.db2.gz IKXPJHGCQJPXJG-UHFFFAOYSA-N 1 0 289.291 1.633 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1COC[C@@H]1C ZINC000932493459 827573195 /nfs/dbraw/zinc/57/31/95/827573195.db2.gz GHZUWFOAAXQQCA-GWCFXTLKSA-N 1 0 293.323 1.466 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107578021 827594713 /nfs/dbraw/zinc/59/47/13/827594713.db2.gz NRSFMWUHGNUUKV-GHMZBOCLSA-N 1 0 265.288 1.385 20 5 CDBDRO Cc1c[nH]nc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000811506944 827648279 /nfs/dbraw/zinc/64/82/79/827648279.db2.gz LUOSREHLBWIEOF-UHFFFAOYSA-N 1 0 275.312 1.592 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)c1[N+](=O)[O-] ZINC000261616311 827659746 /nfs/dbraw/zinc/65/97/46/827659746.db2.gz UBXDVPFDWBKGEK-MWLCHTKSSA-N 1 0 263.297 1.465 20 5 CDBDRO C[C@@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000840808450 827732852 /nfs/dbraw/zinc/73/28/52/827732852.db2.gz CLSWHGHRNXGORM-VIFPVBQESA-N 1 0 282.369 1.831 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(C2(C[NH3+])CC2)n1 ZINC000843187058 827745382 /nfs/dbraw/zinc/74/53/82/827745382.db2.gz KFXLOVKZNUUUBX-UHFFFAOYSA-N 1 0 274.280 1.944 20 5 CDBDRO [NH3+]CC1(c2nc(Cc3ccccc3[N+](=O)[O-])no2)CC1 ZINC000843170861 827857995 /nfs/dbraw/zinc/85/79/95/827857995.db2.gz KVPJBUITFGRYRN-UHFFFAOYSA-N 1 0 274.280 1.559 20 5 CDBDRO C[C@H](NCC(C)(C)[NH3+])c1ccc(N)c([N+](=O)[O-])c1 ZINC000817960243 828013670 /nfs/dbraw/zinc/01/36/70/828013670.db2.gz KXOAUIUEAJUKMB-QMMMGPOBSA-N 1 0 252.318 1.565 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000852888271 828046653 /nfs/dbraw/zinc/04/66/53/828046653.db2.gz IAXCRKBLWYMGLI-NSHDSACASA-N 1 0 277.324 1.790 20 5 CDBDRO CCOCCOCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927087660 828082433 /nfs/dbraw/zinc/08/24/33/828082433.db2.gz PNCDONFCOYSBPG-LLVKDONJSA-N 1 0 297.355 1.881 20 5 CDBDRO Cc1cc(F)cc(C(=O)NCC(F)(F)CN)c1[N+](=O)[O-] ZINC000190248903 828275058 /nfs/dbraw/zinc/27/50/58/828275058.db2.gz VSDKRWZTHVEZER-UHFFFAOYSA-N 1 0 291.229 1.366 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000261541021 828307398 /nfs/dbraw/zinc/30/73/98/828307398.db2.gz IPLPXFRXRILDFB-ZETCQYMHSA-N 1 0 256.693 1.571 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001354844004 1167503046 /nfs/dbraw/zinc/50/30/46/1167503046.db2.gz ZGKQDZWYLGHUBA-CABZTGNLSA-N 1 0 263.297 1.524 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC[C@@H](O)C1 ZINC001173223362 912309510 /nfs/dbraw/zinc/30/95/10/912309510.db2.gz ZMHFIDZPOKGFJE-RISCZKNCSA-N 1 0 280.324 1.219 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC2(CC(O)C2)C1 ZINC001173229931 912328204 /nfs/dbraw/zinc/32/82/04/912328204.db2.gz WFGBIXRQXSHILP-NSHDSACASA-N 1 0 276.336 1.983 20 5 CDBDRO C[NH2+]Cc1c(C)nn(-c2ncc(C)cc2[N+](=O)[O-])c1C ZINC001167098948 894498473 /nfs/dbraw/zinc/49/84/73/894498473.db2.gz ZCNMCZOWFPBALN-UHFFFAOYSA-N 1 0 275.312 1.820 20 5 CDBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])nc1)C2 ZINC001226709355 905486783 /nfs/dbraw/zinc/48/67/83/905486783.db2.gz HSVIBFHIXDKYTH-IAZYJMLFSA-N 1 0 263.297 1.994 20 5 CDBDRO Cc1ncc(CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)cn1 ZINC001168391330 911443400 /nfs/dbraw/zinc/44/34/00/911443400.db2.gz KQOCTHXNYJSOID-UHFFFAOYSA-N 1 0 285.307 1.909 20 5 CDBDRO C[C@@H](O)[C@@H](CO)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895407 912052315 /nfs/dbraw/zinc/05/23/15/912052315.db2.gz COLWVONDADBFJC-WDBKCZKBSA-N 1 0 294.351 1.174 20 5 CDBDRO Cc1cc(Cl)nc(N2CCO[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC001166937965 925354796 /nfs/dbraw/zinc/35/47/96/925354796.db2.gz JOBBYMUKXIVWJG-QMMMGPOBSA-N 1 0 286.719 1.116 20 5 CDBDRO CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001086287877 926939405 /nfs/dbraw/zinc/93/94/05/926939405.db2.gz VXHKIQQUFCRFLL-JOCQHMNTSA-N 1 0 277.324 1.599 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2cccc(O)c2)C1 ZINC001168978226 927565681 /nfs/dbraw/zinc/56/56/81/927565681.db2.gz QBADOVPVOOFNCR-OSMZGAPFSA-N 1 0 280.324 1.461 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2CO)C1 ZINC001168979766 927568339 /nfs/dbraw/zinc/56/83/39/927568339.db2.gz ZVFSUSMMRPREQL-SMDDNHRTSA-N 1 0 264.325 1.714 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC001168956395 927578404 /nfs/dbraw/zinc/57/84/04/927578404.db2.gz FAEMZOZHEWYAFI-KWCYVHTRSA-N 1 0 264.325 1.755 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cn3cccnc3n2)C1 ZINC001168957997 927579918 /nfs/dbraw/zinc/57/99/18/927579918.db2.gz KPWMYZDYYBUXIN-MNOVXSKESA-N 1 0 275.312 1.264 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cn3ccccc3n2)C1 ZINC001168968152 927591648 /nfs/dbraw/zinc/59/16/48/927591648.db2.gz WQKNSIFKNMUOAZ-VXGBXAGGSA-N 1 0 274.324 1.869 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CC(O)(C(F)(F)F)C2)C1 ZINC001168974692 927599008 /nfs/dbraw/zinc/59/90/08/927599008.db2.gz SLRRTRIUZDKZME-AFWXGSBKSA-N 1 0 282.262 1.477 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1O ZINC001168997482 927603139 /nfs/dbraw/zinc/60/31/39/927603139.db2.gz ZWYBKUXFKWGZKZ-NWDGAFQWSA-N 1 0 280.324 1.936 20 5 CDBDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@]1(C)O ZINC001169010915 927617950 /nfs/dbraw/zinc/61/79/50/927617950.db2.gz GEAZCCMZVDQICX-FDYHWXHSSA-N 1 0 256.346 1.525 20 5 CDBDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169011435 927617981 /nfs/dbraw/zinc/61/79/81/927617981.db2.gz KIFKDNOFAONIQB-IJLUTSLNSA-N 1 0 254.330 1.733 20 5 CDBDRO COc1cccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168990239 927630264 /nfs/dbraw/zinc/63/02/64/927630264.db2.gz YYHRBXCDJPDRGR-GHMZBOCLSA-N 1 0 265.313 1.625 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(N3CC(F)C3)CC2)C1 ZINC001169036002 927645032 /nfs/dbraw/zinc/64/50/32/927645032.db2.gz MMCDYDQDUACYFI-RISCZKNCSA-N 1 0 285.363 1.550 20 5 CDBDRO CN1CC[C@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169038619 927649372 /nfs/dbraw/zinc/64/93/72/927649372.db2.gz JJCYJMOHTPZEIR-YVECIDJPSA-N 1 0 253.346 1.068 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CC(c3cccnc3)C2)C1 ZINC001169040138 927652807 /nfs/dbraw/zinc/65/28/07/927652807.db2.gz YFPADRQLOGUODS-BXUZGUMPSA-N 1 0 261.325 1.926 20 5 CDBDRO Cn1ncc2c1CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169043817 927657203 /nfs/dbraw/zinc/65/72/03/927657203.db2.gz HVZAVBKJWSGWON-PWSUYJOCSA-N 1 0 264.329 1.224 20 5 CDBDRO CN1C(=O)CC[C@@H]2C[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@H]21 ZINC001169050611 927668551 /nfs/dbraw/zinc/66/85/51/927668551.db2.gz BYIVNGXZLGEHDF-RFQIPJPRSA-N 1 0 295.383 1.375 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3OCCC[C@@H]3C2)C1 ZINC001169054265 927671283 /nfs/dbraw/zinc/67/12/83/927671283.db2.gz LKHSZSHRFHZMNS-AAVRWANBSA-N 1 0 268.357 1.933 20 5 CDBDRO [NH3+]Cc1ccn(-c2ccc3ncc([N+](=O)[O-])n3c2)c1 ZINC001169725285 928346111 /nfs/dbraw/zinc/34/61/11/928346111.db2.gz DUAOJMAGHWWTHL-UHFFFAOYSA-N 1 0 257.253 1.492 20 5 CDBDRO COc1cnc(N2CC[C@H]([N@H+](C)C(C)C)C2)c([N+](=O)[O-])c1 ZINC001157009069 929103380 /nfs/dbraw/zinc/10/33/80/929103380.db2.gz DIQFNDGAYDZNBY-NSHDSACASA-N 1 0 294.355 1.917 20 5 CDBDRO CN(C)c1ccc(NC[C@H]2COCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001170044060 929133429 /nfs/dbraw/zinc/13/34/29/929133429.db2.gz JVKGBLBCYPOOAL-JTQLQIEISA-N 1 0 280.328 1.061 20 5 CDBDRO COc1c(F)cc(NC[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC001170045910 929143707 /nfs/dbraw/zinc/14/37/07/929143707.db2.gz XISYFCKEUVNLDR-VIFPVBQESA-N 1 0 285.275 1.143 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1cc(F)cc([N+](=O)[O-])c1C ZINC001170866002 930523006 /nfs/dbraw/zinc/52/30/06/930523006.db2.gz SASCUKUAKRQRNP-NSHDSACASA-N 1 0 257.265 1.512 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1ccc([N+](=O)[O-])c(C)c1C(=O)OC ZINC001170865939 930533846 /nfs/dbraw/zinc/53/38/46/930533846.db2.gz LEVYDYCIEUZDDQ-CYBMUJFWSA-N 1 0 297.311 1.159 20 5 CDBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1c(C)cccc1[N+](=O)[O-] ZINC001170873709 930561411 /nfs/dbraw/zinc/56/14/11/930561411.db2.gz IRLLRUDOHWQKGE-GHMZBOCLSA-N 1 0 293.323 1.466 20 5 CDBDRO CN1Cc2cc(NCC(C)(C)[NH3+])cc([N+](=O)[O-])c2N1 ZINC001171195005 931862417 /nfs/dbraw/zinc/86/24/17/931862417.db2.gz QRDHBJKDMANKOZ-UHFFFAOYSA-N 1 0 265.317 1.516 20 5 CDBDRO Nc1nc(NC[C@@]2(F)CCCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001155117164 937637292 /nfs/dbraw/zinc/63/72/92/937637292.db2.gz ORWMROAMHBSIEW-GFCCVEGCSA-N 1 0 283.307 1.466 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[NH+](C)C ZINC001118724421 937658992 /nfs/dbraw/zinc/65/89/92/937658992.db2.gz AJLMPHPWNZWAKR-JTQLQIEISA-N 1 0 294.355 1.707 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000088056016 934781294 /nfs/dbraw/zinc/78/12/94/934781294.db2.gz YVJNIBYLSMECNR-MWLCHTKSSA-N 1 0 292.339 1.390 20 5 CDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001120826532 937839420 /nfs/dbraw/zinc/83/94/20/937839420.db2.gz ANMDZXXZNRMQFO-CMPLNLGQSA-N 1 0 291.355 1.493 20 5 CDBDRO CC(C)N(CCC[NH3+])c1ncc(F)cc1[N+](=O)[O-] ZINC001156118411 938321219 /nfs/dbraw/zinc/32/12/19/938321219.db2.gz ISBSJXMULVITQV-UHFFFAOYSA-N 1 0 256.281 1.693 20 5 CDBDRO CCOc1nc(-n2ccnc2CC[NH3+])ccc1[N+](=O)[O-] ZINC001156484620 938374296 /nfs/dbraw/zinc/37/42/96/938374296.db2.gz SDDAQXPDUQPXFK-UHFFFAOYSA-N 1 0 277.284 1.075 20 5 CDBDRO C[N@@H+]1CC[C@H](Nc2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001156580818 938389013 /nfs/dbraw/zinc/38/90/13/938389013.db2.gz UVUMLYOHFZNXLU-VIFPVBQESA-N 1 0 273.296 1.654 20 5 CDBDRO CC(C)[N@H+](C)[C@H]1CCN(c2cc([N+](=O)[O-])ccn2)C1 ZINC001157002063 938445024 /nfs/dbraw/zinc/44/50/24/938445024.db2.gz SSZMXUFCGHEXNW-LBPRGKRZSA-N 1 0 264.329 1.909 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH3+])[C@@H]2C)n1 ZINC001157746913 938539964 /nfs/dbraw/zinc/53/99/64/938539964.db2.gz OJMHDNMKEGDNRN-DTWKUNHWSA-N 1 0 294.311 1.092 20 5 CDBDRO CCC1(Nc2ncc([N+](=O)[O-])cc2Cl)C[NH2+]C1 ZINC001157777821 938544553 /nfs/dbraw/zinc/54/45/53/938544553.db2.gz VMDQJPCXGDUHIT-UHFFFAOYSA-N 1 0 256.693 1.807 20 5 CDBDRO O=[N+]([O-])c1cnc(NCCC2CCC2)nc1C1C[NH2+]C1 ZINC001158053014 938579186 /nfs/dbraw/zinc/57/91/86/938579186.db2.gz FPYQGYCAHKGYHG-UHFFFAOYSA-N 1 0 277.328 1.674 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1nccc(Cl)c1[N+](=O)[O-] ZINC001158126438 938585753 /nfs/dbraw/zinc/58/57/53/938585753.db2.gz VHFOXOCTYFTANK-UHFFFAOYSA-N 1 0 282.691 1.034 20 5 CDBDRO C[C@@]1(C[NH3+])CCCN(c2ncc([N+](=O)[O-])cc2N)C1 ZINC001158682843 938650238 /nfs/dbraw/zinc/65/02/38/938650238.db2.gz FXEJGXXYWULZFW-LBPRGKRZSA-N 1 0 265.317 1.137 20 5 CDBDRO C[C@@H](Nc1cc(Cl)cc([N+](=O)[O-])n1)[C@H]1C[NH2+]CCO1 ZINC001159501182 938736095 /nfs/dbraw/zinc/73/60/95/938736095.db2.gz YVUINHGMKKYXCI-VXNVDRBHSA-N 1 0 286.719 1.432 20 5 CDBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1cccc([N+](=O)[O-])n1 ZINC001160195538 938774887 /nfs/dbraw/zinc/77/48/87/938774887.db2.gz NHBCQDBKCJOSCR-SNVBAGLBSA-N 1 0 286.291 1.848 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ncc1NCCCC[NH+](C)C ZINC001161736330 938927848 /nfs/dbraw/zinc/92/78/48/938927848.db2.gz PJACAWTUIDLDNK-UHFFFAOYSA-N 1 0 296.327 1.530 20 5 CDBDRO [NH3+]Cc1cn(-c2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC001162302542 938975216 /nfs/dbraw/zinc/97/52/16/938975216.db2.gz VQOMOIGXEPITFP-UHFFFAOYSA-N 1 0 252.661 1.893 20 5 CDBDRO [NH3+]Cc1cn(-c2ccc3cnccc3c2[N+](=O)[O-])cn1 ZINC001162304490 938976418 /nfs/dbraw/zinc/97/64/18/938976418.db2.gz UGVIENHJJZIOJU-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO CCOC(=O)c1cc(-n2nccc2C[NH3+])ccc1[N+](=O)[O-] ZINC001162597428 939099134 /nfs/dbraw/zinc/09/91/34/939099134.db2.gz PEOSWDLSEOHLMI-UHFFFAOYSA-N 1 0 290.279 1.416 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2ncnc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)c12 ZINC001163261302 939234477 /nfs/dbraw/zinc/23/44/77/939234477.db2.gz PPOASQOSQYAKLH-VGMNWLOBSA-N 1 0 288.311 1.276 20 5 CDBDRO Cc1nonc1CNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001164059385 939401953 /nfs/dbraw/zinc/40/19/53/939401953.db2.gz QLTSMDNNECJGNZ-UHFFFAOYSA-N 1 0 275.268 1.502 20 5 CDBDRO COc1cc(N2C[C@@H](C)CC[C@@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC001164072191 939405998 /nfs/dbraw/zinc/40/59/98/939405998.db2.gz XNUSSUKFSLYHRX-VHSXEESVSA-N 1 0 280.328 1.562 20 5 CDBDRO [NH3+][C@@H]1CCN(c2cc3cccnc3c([N+](=O)[O-])c2)C1 ZINC001164281747 939445703 /nfs/dbraw/zinc/44/57/03/939445703.db2.gz LYPZUNNUIQFINC-SNVBAGLBSA-N 1 0 258.281 1.680 20 5 CDBDRO C[NH+](C)C[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001165071380 939506827 /nfs/dbraw/zinc/50/68/27/939506827.db2.gz FMFPKOMVALGDFM-SECBINFHSA-N 1 0 295.299 1.428 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3nccc(Cl)c3[N+](=O)[O-])C[C@H]2C1 ZINC001165144468 939517210 /nfs/dbraw/zinc/51/72/10/939517210.db2.gz IINZJESRQJUNCB-DTORHVGOSA-N 1 0 282.731 1.641 20 5 CDBDRO C[NH+](C)C[C@]12C[C@H]1CN(c1nc(Cl)ncc1[N+](=O)[O-])C2 ZINC001165182892 939521258 /nfs/dbraw/zinc/52/12/58/939521258.db2.gz XUCHMKGGRJQAQS-UFBFGSQYSA-N 1 0 297.746 1.426 20 5 CDBDRO Cc1c[n+]([O-])c(NCC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001165261352 939535713 /nfs/dbraw/zinc/53/57/13/939535713.db2.gz OYKYVPUMUNGJBX-LBPRGKRZSA-N 1 0 294.355 1.680 20 5 CDBDRO [NH3+][C@]12C[C@H]1CN(c1cc(Cl)cc([N+](=O)[O-])n1)C2 ZINC001165316081 939544765 /nfs/dbraw/zinc/54/47/65/939544765.db2.gz ZFMOFFFWMCOYLC-WKEGUHRASA-N 1 0 254.677 1.181 20 5 CDBDRO COc1nc(N2CCC(C3C[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC001165411417 939560894 /nfs/dbraw/zinc/56/08/94/939560894.db2.gz WRPQMJJCFAQXOU-UHFFFAOYSA-N 1 0 292.339 1.434 20 5 CDBDRO [NH3+]C1([C@H]2CN(c3cc([N+](=O)[O-])ccn3)C[C@H]2CF)CC1 ZINC001165426964 939563185 /nfs/dbraw/zinc/56/31/85/939563185.db2.gz KSDGEAHAKHZLBL-KOLCDFICSA-N 1 0 280.303 1.503 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001165430390 939563613 /nfs/dbraw/zinc/56/36/13/939563613.db2.gz AHGBYLAVQHTRAD-PSASIEDQSA-N 1 0 295.318 1.085 20 5 CDBDRO [NH3+]C1CCN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001166662637 939623136 /nfs/dbraw/zinc/62/31/36/939623136.db2.gz WETONBZWZCPLCQ-UHFFFAOYSA-N 1 0 292.126 1.619 20 5 CDBDRO [NH3+][C@@H]1CCN(c2cc(Cl)ncc2[N+](=O)[O-])CC1(F)F ZINC001166960823 939661459 /nfs/dbraw/zinc/66/14/59/939661459.db2.gz LGVIRVLVPKTSAU-MRVPVSSYSA-N 1 0 292.673 1.816 20 5 CDBDRO O=C1CCCN1CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000405424564 940987813 /nfs/dbraw/zinc/98/78/13/940987813.db2.gz UWHGHBXUUXMZOS-UHFFFAOYSA-N 1 0 297.742 1.960 20 5 CDBDRO C[C@H](OCCC[NH3+])c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001217833836 941022444 /nfs/dbraw/zinc/02/24/44/941022444.db2.gz POFMODBHRHQOPN-QMMMGPOBSA-N 1 0 268.269 1.750 20 5 CDBDRO COC(=O)c1ccc(O[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001218285028 941051544 /nfs/dbraw/zinc/05/15/44/941051544.db2.gz AXIZWFKGBFLERL-SNVBAGLBSA-N 1 0 280.280 1.512 20 5 CDBDRO C[N@@H+]1CC[C@H](OCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001222925304 941642498 /nfs/dbraw/zinc/64/24/98/941642498.db2.gz LBXZMEXQSGPYMH-JTQLQIEISA-N 1 0 277.280 1.957 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OC[C@H]1CCCC[N@@H+]1C ZINC001224702560 941784306 /nfs/dbraw/zinc/78/43/06/941784306.db2.gz NLOVCUCUCQFITQ-DGCLKSJQSA-N 1 0 296.371 1.989 20 5 CDBDRO CC[NH+](CC)CCO[C@@H](C[N+](=O)[O-])c1cccnc1 ZINC001224927264 941805516 /nfs/dbraw/zinc/80/55/16/941805516.db2.gz GQUGAPRZIJIBTI-ZDUSSCGKSA-N 1 0 267.329 1.758 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2C(=O)OC)C1 ZINC001225449630 941862148 /nfs/dbraw/zinc/86/21/48/941862148.db2.gz XDHLWNMRQNPOGH-LLVKDONJSA-N 1 0 294.307 1.854 20 5 CDBDRO Cc1cc(O[C@@H]2C[NH+]3CCC2CC3)ncc1[N+](=O)[O-] ZINC001225664057 941895889 /nfs/dbraw/zinc/89/58/89/941895889.db2.gz XISSBUBSJAHEHK-GFCCVEGCSA-N 1 0 263.297 1.771 20 5 CDBDRO CN1[C@@H]2C[C@@H](Oc3ncc(F)cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001226757976 942063538 /nfs/dbraw/zinc/06/35/38/942063538.db2.gz ZBCAXCGERBQAFU-MKPLZMMCSA-N 1 0 295.270 1.312 20 5 CDBDRO COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CC[N@H+](C)C1 ZINC001227122732 942137241 /nfs/dbraw/zinc/13/72/41/942137241.db2.gz TXBOJCMZLSIEAU-SECBINFHSA-N 1 0 280.280 1.464 20 5 CDBDRO Cc1[nH]c(=O)cc(O[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001228687002 942358096 /nfs/dbraw/zinc/35/80/96/942358096.db2.gz STVYENDTKIRROO-SECBINFHSA-N 1 0 267.285 1.477 20 5 CDBDRO CC(=O)c1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc1C ZINC001234320954 943800837 /nfs/dbraw/zinc/80/08/37/943800837.db2.gz DSMIDDXFRJQQLU-CYBMUJFWSA-N 1 0 294.371 1.560 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261376893 946085437 /nfs/dbraw/zinc/08/54/37/946085437.db2.gz ATLBZGMMBORPFQ-SECBINFHSA-N 1 0 278.312 1.357 20 5 CDBDRO Cc1nc(N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)ncc1[N+](=O)[O-] ZINC001262373042 946620533 /nfs/dbraw/zinc/62/05/33/946620533.db2.gz KOWNDKYTOWKRHP-WDEREUQCSA-N 1 0 277.328 1.366 20 5 CDBDRO CC1([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)COC1 ZINC001254465991 947449681 /nfs/dbraw/zinc/44/96/81/947449681.db2.gz TYKOHAZOBLVAKU-UHFFFAOYSA-N 1 0 291.351 1.942 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC001254539846 947519326 /nfs/dbraw/zinc/51/93/26/947519326.db2.gz KQBLWJAXRKFISS-NWDGAFQWSA-N 1 0 291.351 1.594 20 5 CDBDRO CN1C(=O)CC[C@@H]1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254574544 947533098 /nfs/dbraw/zinc/53/30/98/947533098.db2.gz IDCCHQPIRXUOPS-TZMCWYRMSA-N 1 0 289.335 1.272 20 5 CDBDRO CC[C@H](O)C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573097 947533391 /nfs/dbraw/zinc/53/33/91/947533391.db2.gz WQJVKIDPNDWYNH-AAEUAGOBSA-N 1 0 250.298 1.423 20 5 CDBDRO CC(=O)OCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254589862 947542200 /nfs/dbraw/zinc/54/22/00/947542200.db2.gz SOSQAVUKQNRVJA-LBPRGKRZSA-N 1 0 264.281 1.215 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC(CO)CC1)C2 ZINC001254592151 947543952 /nfs/dbraw/zinc/54/39/52/947543952.db2.gz BQVMGCGNHOVCSW-OAHLLOKOSA-N 1 0 276.336 1.766 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@H](O)[C@@H](F)CC1)C2 ZINC001254595472 947546198 /nfs/dbraw/zinc/54/61/98/947546198.db2.gz XONCJCBSCRLYHD-QLFBSQMISA-N 1 0 294.326 1.857 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCCOCC1)C2 ZINC001254601120 947548743 /nfs/dbraw/zinc/54/87/43/947548743.db2.gz ZPKQEGHVXWUKQO-CQSZACIVSA-N 1 0 262.309 1.784 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C23CC(C2)C[NH2+]3)n1 ZINC001247897916 948854208 /nfs/dbraw/zinc/85/42/08/948854208.db2.gz OMLQZQCCXMFNEA-UHFFFAOYSA-N 1 0 291.242 1.387 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NCC1CC[NH+](C)CC1 ZINC001326377987 954348784 /nfs/dbraw/zinc/34/87/84/954348784.db2.gz HOUODKDESOPHKC-UHFFFAOYSA-N 1 0 264.329 1.474 20 5 CDBDRO COCCC[NH+]1CCC(Nc2c([N+](=O)[O-])cnn2C)CC1 ZINC001334920841 954367120 /nfs/dbraw/zinc/36/71/20/954367120.db2.gz MSRJHONLRHYACD-UHFFFAOYSA-N 1 0 297.359 1.241 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CN(CC[C@@H]1CC[NH2+]C1)C2 ZINC001328772582 955469253 /nfs/dbraw/zinc/46/92/53/955469253.db2.gz PIWJZPDSGSXNCB-NSHDSACASA-N 1 0 261.325 1.910 20 5 CDBDRO Cn1c2ccccc2nc1CCC[NH2+]CC[N+](=O)[O-] ZINC001336785109 955982019 /nfs/dbraw/zinc/98/20/19/955982019.db2.gz KRMBCVXCKZAOOE-UHFFFAOYSA-N 1 0 262.313 1.372 20 5 CDBDRO CCC(CC)[NH2+]CCNc1ncc([N+](=O)[O-])c(C)n1 ZINC001329754946 956097485 /nfs/dbraw/zinc/09/74/85/956097485.db2.gz OUIXECHSIKFWIZ-UHFFFAOYSA-N 1 0 267.333 1.883 20 5 CDBDRO Cc1noc(C[NH2+]C2(C3CC3)CCOCC2)c1[N+](=O)[O-] ZINC001329894428 956166594 /nfs/dbraw/zinc/16/65/94/956166594.db2.gz ILNMYIGBKABHCL-UHFFFAOYSA-N 1 0 281.312 1.940 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1NC ZINC001332173423 957465089 /nfs/dbraw/zinc/46/50/89/957465089.db2.gz IHNAWMOLRFUELI-JTQLQIEISA-N 1 0 294.355 1.884 20 5 CDBDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CC[N+](=O)[O-])C1CC1 ZINC001334767951 959341328 /nfs/dbraw/zinc/34/13/28/959341328.db2.gz QGTBQPQEBADWPT-SNVBAGLBSA-N 1 0 273.333 1.156 20 5 CDBDRO CC1(C)CC[N@H+](CCNc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001336740458 960528640 /nfs/dbraw/zinc/52/86/40/960528640.db2.gz PDWIQWVJNVYMFI-UHFFFAOYSA-N 1 0 279.344 1.716 20 5 CDBDRO C[C@H](NCC[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001337776692 961418010 /nfs/dbraw/zinc/41/80/10/961418010.db2.gz CXBBBMYJWAEYST-ZFWWWQNUSA-N 1 0 277.368 1.763 20 5 CDBDRO CC[C@H](C[NH+]1CCCC1)Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001337783229 961419464 /nfs/dbraw/zinc/41/94/64/961419464.db2.gz QPRCZWSDZNCJCQ-SNVBAGLBSA-N 1 0 279.344 1.858 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NCC1([NH+](C)C)CCOCC1 ZINC001338681139 961947207 /nfs/dbraw/zinc/94/72/07/961947207.db2.gz KBEVEDTZNKIJLS-UHFFFAOYSA-N 1 0 294.355 1.243 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001339267434 962284670 /nfs/dbraw/zinc/28/46/70/962284670.db2.gz WMSMYDCLDOQTAK-LBPRGKRZSA-N 1 0 295.314 1.948 20 5 CDBDRO Cc1c(CC(=O)N2CC[C@@H](CC[NH3+])C2)cccc1[N+](=O)[O-] ZINC001341874619 963567644 /nfs/dbraw/zinc/56/76/44/963567644.db2.gz XEWJBBIQMPBGFB-GFCCVEGCSA-N 1 0 291.351 1.643 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001343973923 964198871 /nfs/dbraw/zinc/19/88/71/964198871.db2.gz ISVJVYOVNMGLGO-OLZOCXBDSA-N 1 0 291.351 1.894 20 5 CDBDRO C[NH+]1CCC(Oc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC000090504942 1174171185 /nfs/dbraw/zinc/17/11/85/1174171185.db2.gz KCZBOLQFLNRMNN-UHFFFAOYSA-N 1 0 281.268 1.976 20 5 CDBDRO Cc1ccc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000600178993 341983546 /nfs/dbraw/zinc/98/35/46/341983546.db2.gz POORIGFZROMENC-ZDUSSCGKSA-N 1 0 291.351 1.956 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000127681731 187325542 /nfs/dbraw/zinc/32/55/42/187325542.db2.gz CTYSSNHANKQORN-GFCCVEGCSA-N 1 0 277.324 1.348 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1CCC([NH2+]CCO)CC1 ZINC000601328079 342554349 /nfs/dbraw/zinc/55/43/49/342554349.db2.gz GGBQGRUNICDLRA-UHFFFAOYSA-N 1 0 279.340 1.141 20 5 CDBDRO COc1ccc(CN2C[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000601330307 342554730 /nfs/dbraw/zinc/55/47/30/342554730.db2.gz RIPUHJOSLAUONQ-ONGXEEELSA-N 1 0 265.313 1.525 20 5 CDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000070169962 361738137 /nfs/dbraw/zinc/73/81/37/361738137.db2.gz YGSILNNMBOWBAK-VIFPVBQESA-N 1 0 266.301 1.124 20 5 CDBDRO Cc1ccc(NC(=O)N(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000565351058 365631014 /nfs/dbraw/zinc/63/10/14/365631014.db2.gz VDAIEOVTOAMNII-UHFFFAOYSA-N 1 0 266.301 1.716 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000046998053 342093038 /nfs/dbraw/zinc/09/30/38/342093038.db2.gz CKOCKDYPASWOIX-UONOGXRCSA-N 1 0 289.335 1.951 20 5 CDBDRO COCC[N@@H+]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000591146718 342618576 /nfs/dbraw/zinc/61/85/76/342618576.db2.gz VCVIXIJRMRTPCZ-JTQLQIEISA-N 1 0 298.318 1.652 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](C)[NH3+] ZINC000591301600 342624506 /nfs/dbraw/zinc/62/45/06/342624506.db2.gz HDWDBHGGPNOYLG-VIFPVBQESA-N 1 0 266.301 1.680 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3CC[NH2+][C@H]3C2)n1 ZINC000591437737 342631908 /nfs/dbraw/zinc/63/19/08/342631908.db2.gz JWICHNBDMAMDDU-NEPJUHHUSA-N 1 0 276.340 1.795 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000591444755 342632621 /nfs/dbraw/zinc/63/26/21/342632621.db2.gz NXMVPTACOKNUQR-ZJUUUORDSA-N 1 0 282.369 1.877 20 5 CDBDRO CC1(C)C[NH2+][C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000591669657 342641282 /nfs/dbraw/zinc/64/12/82/342641282.db2.gz UKORLGNNTBRBBW-GFCCVEGCSA-N 1 0 277.324 1.252 20 5 CDBDRO Cn1cc([C@@H]2CN(c3sccc3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC000591688974 342643329 /nfs/dbraw/zinc/64/33/29/342643329.db2.gz QWXQBQWDFJZHQM-VHSXEESVSA-N 1 0 293.352 1.321 20 5 CDBDRO CC[N@H+](C)C[C@@H](O)COc1cc(C)ccc1[N+](=O)[O-] ZINC000311404062 342149565 /nfs/dbraw/zinc/14/95/65/342149565.db2.gz AQGNICILPIFWGV-LLVKDONJSA-N 1 0 268.313 1.595 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000592242573 342680760 /nfs/dbraw/zinc/68/07/60/342680760.db2.gz VRCOTQMBSYTBQG-CQSZACIVSA-N 1 0 291.351 1.973 20 5 CDBDRO CC(=O)c1ccc(OC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000592160883 342670888 /nfs/dbraw/zinc/67/08/88/342670888.db2.gz BDGHWCMYCHUYHK-JTQLQIEISA-N 1 0 264.281 1.786 20 5 CDBDRO [NH3+][C@@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592424761 342690204 /nfs/dbraw/zinc/69/02/04/342690204.db2.gz YJHFYQYVZSTKPT-LLVKDONJSA-N 1 0 293.323 1.289 20 5 CDBDRO C[C@@H]1[C@H](C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000592749232 342721454 /nfs/dbraw/zinc/72/14/54/342721454.db2.gz KXCWMAKORSWZCJ-DGCLKSJQSA-N 1 0 291.351 1.893 20 5 CDBDRO C[C@@H]1[C@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C ZINC000592765326 342725411 /nfs/dbraw/zinc/72/54/11/342725411.db2.gz DKLUVKAWLZUZFF-GHMZBOCLSA-N 1 0 289.335 1.824 20 5 CDBDRO C[C@H](CCO)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000593109027 342769298 /nfs/dbraw/zinc/76/92/98/342769298.db2.gz GLXCQPINLIMHNZ-LLVKDONJSA-N 1 0 268.313 1.676 20 5 CDBDRO C[C@H]1C[NH2+]CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000261887156 300322899 /nfs/dbraw/zinc/32/28/99/300322899.db2.gz SDNQCRJLCVVJKS-VIFPVBQESA-N 1 0 253.277 1.528 20 5 CDBDRO C[C@H]([NH2+][C@H](CO)CCF)c1cccc([N+](=O)[O-])c1 ZINC000593718733 342828417 /nfs/dbraw/zinc/82/84/17/342828417.db2.gz QBZFESTWGYRGPA-ONGXEEELSA-N 1 0 256.277 1.966 20 5 CDBDRO C[C@H](NC(=O)[C@@H](N)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000593902426 342853695 /nfs/dbraw/zinc/85/36/95/342853695.db2.gz SWINMJKILKDOAC-GWCFXTLKSA-N 1 0 294.355 1.051 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C[C@@H](C)O)C1CC1 ZINC000594061971 342869993 /nfs/dbraw/zinc/86/99/93/342869993.db2.gz FCOLTGOLQVINKD-SNVBAGLBSA-N 1 0 280.324 1.949 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000127354406 342226983 /nfs/dbraw/zinc/22/69/83/342226983.db2.gz GCJBXAFDONYVEE-LBPRGKRZSA-N 1 0 294.355 1.571 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000050225469 342285987 /nfs/dbraw/zinc/28/59/87/342285987.db2.gz BACUMCPFNQKBHV-NSHDSACASA-N 1 0 296.352 1.312 20 5 CDBDRO COC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCOCC1 ZINC000123184814 349760241 /nfs/dbraw/zinc/76/02/41/349760241.db2.gz UTAPZNABDGVCRN-UHFFFAOYSA-N 1 0 286.353 1.942 20 5 CDBDRO Cc1noc(CN2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000595284996 343023318 /nfs/dbraw/zinc/02/33/18/343023318.db2.gz ISGGUCJQEYSGRH-UHFFFAOYSA-N 1 0 282.344 1.665 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCN1CCOCC1 ZINC000075713567 342312284 /nfs/dbraw/zinc/31/22/84/342312284.db2.gz ONDLUAUGZBEJSR-ZDUSSCGKSA-N 1 0 293.367 1.920 20 5 CDBDRO C[C@@H](O)CC[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000075782620 342317363 /nfs/dbraw/zinc/31/73/63/342317363.db2.gz MZRVDHSXIFOWEX-LLVKDONJSA-N 1 0 268.313 1.676 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000405486411 349793093 /nfs/dbraw/zinc/79/30/93/349793093.db2.gz YQJYJGDDXRBKKF-WCQYABFASA-N 1 0 277.324 1.729 20 5 CDBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000076513750 342322045 /nfs/dbraw/zinc/32/20/45/342322045.db2.gz WWEBDTLEXHWUCV-JTQLQIEISA-N 1 0 294.359 1.643 20 5 CDBDRO Cc1noc(C[N@H+]2CCC[C@@H](C)[C@H]2CCO)c1[N+](=O)[O-] ZINC000595690139 343132472 /nfs/dbraw/zinc/13/24/72/343132472.db2.gz VNLVNNPJLMAKJK-MWLCHTKSSA-N 1 0 283.328 1.874 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595810896 343161271 /nfs/dbraw/zinc/16/12/71/343161271.db2.gz PKCVYLBMEXIOBZ-GHMZBOCLSA-N 1 0 263.297 1.098 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000595984623 343211531 /nfs/dbraw/zinc/21/15/31/343211531.db2.gz XEBCBJRVRYKASE-VIFPVBQESA-N 1 0 251.286 1.241 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000382511588 362129687 /nfs/dbraw/zinc/12/96/87/362129687.db2.gz PBNKCRHWMFNVOA-ONGXEEELSA-N 1 0 263.297 1.452 20 5 CDBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCC(O)CC2)s1 ZINC000596085082 343220510 /nfs/dbraw/zinc/22/05/10/343220510.db2.gz ICGDMXXXDGCPSO-UHFFFAOYSA-N 1 0 285.369 1.915 20 5 CDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC(C)(C)[NH3+] ZINC000595904041 343187989 /nfs/dbraw/zinc/18/79/89/343187989.db2.gz XEUGFHIMELCRMX-JTQLQIEISA-N 1 0 294.355 1.591 20 5 CDBDRO CCC[N@@H+]1CC[C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596090478 343233924 /nfs/dbraw/zinc/23/39/24/343233924.db2.gz VXFOJOJRHDOZOV-SNVBAGLBSA-N 1 0 280.328 1.839 20 5 CDBDRO C[C@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596099202 343235939 /nfs/dbraw/zinc/23/59/39/343235939.db2.gz UHRZCEMBBHADCT-SECBINFHSA-N 1 0 280.328 1.446 20 5 CDBDRO C[N@H+]1CC=C(CNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596185429 343251748 /nfs/dbraw/zinc/25/17/48/343251748.db2.gz LLRNOOUISFGSEA-UHFFFAOYSA-N 1 0 264.285 1.369 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000588977173 342446559 /nfs/dbraw/zinc/44/65/59/342446559.db2.gz GXKKUZKKAFQAKT-MNOVXSKESA-N 1 0 277.324 1.853 20 5 CDBDRO Cc1cc(C(=O)NCC[N@@H+](C)C2CC2)cc([N+](=O)[O-])c1 ZINC000139981020 342444525 /nfs/dbraw/zinc/44/45/25/342444525.db2.gz DWQNSCBPDKZWBC-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H](C[NH3+])C1CC1 ZINC000598913511 343918986 /nfs/dbraw/zinc/91/89/86/343918986.db2.gz JSFLAFDEHKOPTK-GFCCVEGCSA-N 1 0 296.302 1.935 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598913566 343919049 /nfs/dbraw/zinc/91/90/49/343919049.db2.gz MHYREAUTFCZCPM-YUMQZZPRSA-N 1 0 284.291 1.981 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598916279 343920016 /nfs/dbraw/zinc/92/00/16/343920016.db2.gz WPDVPTYJJRPMFN-SSDOTTSWSA-N 1 0 286.719 1.978 20 5 CDBDRO O=C(NCC1C[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915813 343920143 /nfs/dbraw/zinc/92/01/43/343920143.db2.gz QFNDXGSSVGVMJX-UHFFFAOYSA-N 1 0 268.248 1.075 20 5 CDBDRO CC(C)Oc1nc(N2C[C@@H](C)[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000599110473 343960679 /nfs/dbraw/zinc/96/06/79/343960679.db2.gz SUHDPPWOUVVSDE-PHIMTYICSA-N 1 0 294.355 1.964 20 5 CDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1c(Cl)cccc1[N+](=O)[O-] ZINC000250782606 344050236 /nfs/dbraw/zinc/05/02/36/344050236.db2.gz JOYJNQSRJHNBCM-IIDWOEFGSA-N 1 0 281.699 1.196 20 5 CDBDRO CC[C@]1(C(C)C)C[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515467589 362319396 /nfs/dbraw/zinc/31/93/96/362319396.db2.gz DQIGZTALYYAZFF-MGPQQGTHSA-N 1 0 296.371 1.567 20 5 CDBDRO CCN(CC[NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000599917222 344151950 /nfs/dbraw/zinc/15/19/50/344151950.db2.gz AQGNTVCZQLTHNZ-UHFFFAOYSA-N 1 0 280.328 1.128 20 5 CDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC000210683118 344177655 /nfs/dbraw/zinc/17/76/55/344177655.db2.gz BUSBQDWCTMWHKL-SREVYHEPSA-N 1 0 275.308 1.430 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3c(F)cccc3[N+](=O)[O-])C[C@H]21 ZINC000601616713 344203568 /nfs/dbraw/zinc/20/35/68/344203568.db2.gz GZRGBUJGYAPLFE-WOFXILAISA-N 1 0 293.298 1.366 20 5 CDBDRO C[NH+](C)CC1(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000602112377 344339115 /nfs/dbraw/zinc/33/91/15/344339115.db2.gz ZJZFVXOMEONXHI-UHFFFAOYSA-N 1 0 291.351 1.595 20 5 CDBDRO CC[NH2+]CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602427161 344422225 /nfs/dbraw/zinc/42/22/25/344422225.db2.gz CRUSGALJOJLFBU-UHFFFAOYSA-N 1 0 255.249 1.073 20 5 CDBDRO C[C@@H](CCCC[NH3+])NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602492700 344450707 /nfs/dbraw/zinc/45/07/07/344450707.db2.gz WKPFKZIDAYMWSI-VIFPVBQESA-N 1 0 283.303 1.981 20 5 CDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000602532471 344470170 /nfs/dbraw/zinc/47/01/70/344470170.db2.gz XTIVYZZFPGSSLY-ZDUSSCGKSA-N 1 0 295.314 1.804 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000602535501 344470856 /nfs/dbraw/zinc/47/08/56/344470856.db2.gz OIWYVEQFVRNYBM-UHFFFAOYSA-N 1 0 281.312 1.333 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000602588545 344479256 /nfs/dbraw/zinc/47/92/56/344479256.db2.gz BGNNGDFJMZMSIB-AOOOYVTPSA-N 1 0 291.307 1.180 20 5 CDBDRO [NH3+][C@H]1CC[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000602604928 344490445 /nfs/dbraw/zinc/49/04/45/344490445.db2.gz RMROGTNCDAIVSY-KYZUINATSA-N 1 0 281.287 1.734 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000602801113 344590569 /nfs/dbraw/zinc/59/05/69/344590569.db2.gz ZUUADOHEEMDOPQ-WDEREUQCSA-N 1 0 281.360 1.124 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000154641382 529998402 /nfs/dbraw/zinc/99/84/02/529998402.db2.gz OVMHIQZTVJQMSU-VIFPVBQESA-N 1 0 281.312 1.189 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000602798627 344589465 /nfs/dbraw/zinc/58/94/65/344589465.db2.gz QXSWDFSSAZWXAP-PWSUYJOCSA-N 1 0 282.344 1.193 20 5 CDBDRO CO[C@@H]1C[C@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])C1(C)C ZINC000602843582 344622668 /nfs/dbraw/zinc/62/26/68/344622668.db2.gz XTWQZSIHBNLXJU-WDEREUQCSA-N 1 0 282.344 1.503 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000603460920 344810976 /nfs/dbraw/zinc/81/09/76/344810976.db2.gz RGFOGZPCZYTTGN-UHFFFAOYSA-N 1 0 292.339 1.290 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000129024699 345254187 /nfs/dbraw/zinc/25/41/87/345254187.db2.gz YHSBKPLVYNHXSQ-BXKDBHETSA-N 1 0 292.339 1.005 20 5 CDBDRO CC[C@@H](C[NH+]1CCCC1)Nc1c([N+](=O)[O-])ncn1C ZINC000609839878 346005620 /nfs/dbraw/zinc/00/56/20/346005620.db2.gz FWLOQJYKQQEGOL-JTQLQIEISA-N 1 0 267.333 1.615 20 5 CDBDRO [NH3+]C1(CC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000094294975 346063972 /nfs/dbraw/zinc/06/39/72/346063972.db2.gz OBBXNSJXSGMQMX-UHFFFAOYSA-N 1 0 277.324 1.525 20 5 CDBDRO COC(=O)C[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000610447432 346283973 /nfs/dbraw/zinc/28/39/73/346283973.db2.gz JITJVQADAKMQKP-LLVKDONJSA-N 1 0 296.327 1.209 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](C(C)(C)CO)CC1 ZINC000610575745 346316557 /nfs/dbraw/zinc/31/65/57/346316557.db2.gz ILWMQQVCZNUCQA-UHFFFAOYSA-N 1 0 293.367 1.796 20 5 CDBDRO NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000610585166 346320079 /nfs/dbraw/zinc/32/00/79/346320079.db2.gz CTTGMUVAVFSGKJ-JQWIXIFHSA-N 1 0 275.308 1.678 20 5 CDBDRO CN(c1ccc([N+](=O)[O-])cn1)[C@@H]1CCC[N@H+](C)C1 ZINC000266061600 362710851 /nfs/dbraw/zinc/71/08/51/362710851.db2.gz ZHPPTKCHPQLTNT-LLVKDONJSA-N 1 0 250.302 1.520 20 5 CDBDRO C[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000037886764 346369584 /nfs/dbraw/zinc/36/95/84/346369584.db2.gz PKPCKNLXMXTUSF-WZRBSPASSA-N 1 0 282.344 1.321 20 5 CDBDRO C[NH+](C)CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413024120 362733837 /nfs/dbraw/zinc/73/38/37/362733837.db2.gz LTCXCIJIDMDTIQ-UHFFFAOYSA-N 1 0 278.234 1.982 20 5 CDBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)C[C@H]1C ZINC000611084789 346604329 /nfs/dbraw/zinc/60/43/29/346604329.db2.gz TWRSWZYAHOPCCS-SNVBAGLBSA-N 1 0 264.329 1.829 20 5 CDBDRO C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000611259093 346723518 /nfs/dbraw/zinc/72/35/18/346723518.db2.gz LRFDASNKTYLFFO-SMDDNHRTSA-N 1 0 280.324 1.676 20 5 CDBDRO CCc1nn(C)c(N2CCC[C@@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000611281003 346735003 /nfs/dbraw/zinc/73/50/03/346735003.db2.gz DVKRLBDKOAZRFI-LLVKDONJSA-N 1 0 295.387 1.858 20 5 CDBDRO O=[N+]([O-])c1ccsc1N1CC[NH+](C2CCOCC2)CC1 ZINC000611413023 346779751 /nfs/dbraw/zinc/77/97/51/346779751.db2.gz UURZTRHLXSDZPM-UHFFFAOYSA-N 1 0 297.380 1.957 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCOC1)CC2 ZINC000088606154 347234557 /nfs/dbraw/zinc/23/45/57/347234557.db2.gz LUXUCQDQVZTUTH-NSHDSACASA-N 1 0 262.309 1.989 20 5 CDBDRO CC[N@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128504671 187375552 /nfs/dbraw/zinc/37/55/52/187375552.db2.gz BUTNOJIOANRCFK-UHFFFAOYSA-N 1 0 299.302 1.377 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000090322517 347653456 /nfs/dbraw/zinc/65/34/56/347653456.db2.gz WHNLFCQEBWCZGE-QWRGUYRKSA-N 1 0 281.743 1.899 20 5 CDBDRO COc1ccc(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000086467868 179299101 /nfs/dbraw/zinc/29/91/01/179299101.db2.gz PQSMLUVVHGSMFN-VHSXEESVSA-N 1 0 293.323 1.426 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000615835368 348843352 /nfs/dbraw/zinc/84/33/52/348843352.db2.gz MHPBYGIDZSLLLC-QCNRNOMUSA-N 1 0 278.308 1.036 20 5 CDBDRO COc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000089091434 179699368 /nfs/dbraw/zinc/69/93/68/179699368.db2.gz WRHBMPDNRKPJTN-GHMZBOCLSA-N 1 0 293.323 1.461 20 5 CDBDRO CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C)C[C@@H]1[NH+](C)C ZINC000271281375 191049390 /nfs/dbraw/zinc/04/93/90/191049390.db2.gz CMWCDWJDISKRGE-NWDGAFQWSA-N 1 0 296.396 1.780 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000105471763 186058715 /nfs/dbraw/zinc/05/87/15/186058715.db2.gz LMGMTIWXPYXTLB-CYBMUJFWSA-N 1 0 279.340 1.323 20 5 CDBDRO CN1CCO[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000105471995 186059768 /nfs/dbraw/zinc/05/97/68/186059768.db2.gz QJTPHUUDLAFHES-GFCCVEGCSA-N 1 0 265.313 1.015 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111302047 350459795 /nfs/dbraw/zinc/45/97/95/350459795.db2.gz KOXWELTWBGSWSY-LURJTMIESA-N 1 0 257.677 1.325 20 5 CDBDRO CCC(CC)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000109705807 186270086 /nfs/dbraw/zinc/27/00/86/186270086.db2.gz SSYAFRDMJFYASM-UHFFFAOYSA-N 1 0 255.274 1.435 20 5 CDBDRO C[NH+](C)CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000207940455 350699367 /nfs/dbraw/zinc/69/93/67/350699367.db2.gz OUOWDKVVYFXSRB-YVMONPNESA-N 1 0 263.297 1.286 20 5 CDBDRO Nc1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1[N+](=O)[O-] ZINC000312522552 350783378 /nfs/dbraw/zinc/78/33/78/350783378.db2.gz OSMMFDWSXLPOSB-VHSXEESVSA-N 1 0 277.328 1.611 20 5 CDBDRO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CCn1cccn1 ZINC000111282305 186388359 /nfs/dbraw/zinc/38/83/59/186388359.db2.gz MENSBXKITFUZPP-UHFFFAOYSA-N 1 0 274.324 1.966 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000130828898 187522422 /nfs/dbraw/zinc/52/24/22/187522422.db2.gz VNPLWLONHDKFRY-GFCCVEGCSA-N 1 0 293.323 1.313 20 5 CDBDRO C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000292429149 198285585 /nfs/dbraw/zinc/28/55/85/198285585.db2.gz QNLMXVQQFXKLAZ-LLVKDONJSA-N 1 0 279.340 1.451 20 5 CDBDRO C[NH+](C)C1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000158369557 188372424 /nfs/dbraw/zinc/37/24/24/188372424.db2.gz UCUGODCZQSLONB-UHFFFAOYSA-N 1 0 283.715 1.634 20 5 CDBDRO CC(C)(C)[C@H]([NH3+])C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000236691011 363370528 /nfs/dbraw/zinc/37/05/28/363370528.db2.gz UXURNTQSCTYFRU-GFCCVEGCSA-N 1 0 294.355 1.496 20 5 CDBDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000411939107 363382961 /nfs/dbraw/zinc/38/29/61/363382961.db2.gz NIZYRMVMDVYSRV-LBPRGKRZSA-N 1 0 277.324 1.505 20 5 CDBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1(O)CCC1 ZINC000353493201 363408051 /nfs/dbraw/zinc/40/80/51/363408051.db2.gz WDKUNNTZNFESJG-UHFFFAOYSA-N 1 0 293.323 1.041 20 5 CDBDRO CC1(C)CN(CC[NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000171766762 188758560 /nfs/dbraw/zinc/75/85/60/188758560.db2.gz QEMHVAOKLCRIDL-UHFFFAOYSA-N 1 0 299.396 1.857 20 5 CDBDRO Cc1nn(C)c(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000219297302 356306136 /nfs/dbraw/zinc/30/61/36/356306136.db2.gz ZRDDQAKGZIGYRS-QWRGUYRKSA-N 1 0 279.344 1.675 20 5 CDBDRO Cc1ccc(C[NH2+]CC2(O)CCC2)cc1[N+](=O)[O-] ZINC000134515280 356332964 /nfs/dbraw/zinc/33/29/64/356332964.db2.gz UZAVLAMZPIZCMU-UHFFFAOYSA-N 1 0 250.298 1.908 20 5 CDBDRO C[N@H+](CCNc1ncc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000273583348 192216592 /nfs/dbraw/zinc/21/65/92/192216592.db2.gz GFFKINOVEDVRSA-UHFFFAOYSA-N 1 0 287.323 1.929 20 5 CDBDRO CC[N@@H+]1CCN(c2ncccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286430862 356375773 /nfs/dbraw/zinc/37/57/73/356375773.db2.gz RUWYGLHNJLKUJT-JTQLQIEISA-N 1 0 250.302 1.520 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000127267316 538440020 /nfs/dbraw/zinc/44/00/20/538440020.db2.gz QSYOJIADDBHLBI-AEZGRPFRSA-N 1 0 277.324 1.580 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC12C[NH2+]C2 ZINC001579576883 1172215212 /nfs/dbraw/zinc/21/52/12/1172215212.db2.gz AEQZRWZFWPZTFM-UHFFFAOYSA-N 1 0 275.308 1.400 20 5 CDBDRO COc1cc(C[NH2+]CCC2CC(O)C2)c([N+](=O)[O-])cc1O ZINC000432369448 357253362 /nfs/dbraw/zinc/25/33/62/357253362.db2.gz QEMCKKFMJNRUFV-UHFFFAOYSA-N 1 0 296.323 1.560 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000261873576 357338562 /nfs/dbraw/zinc/33/85/62/357338562.db2.gz ZJHLIADNKYRXQD-HTQZYQBOSA-N 1 0 293.352 1.773 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000262008051 357352125 /nfs/dbraw/zinc/35/21/25/357352125.db2.gz IOZZYSJPYBDDPL-SECBINFHSA-N 1 0 289.291 1.775 20 5 CDBDRO Cc1nc([N+](=O)[O-])cn1CCc1nc(C2([NH3+])CCC2)no1 ZINC000262035742 357355652 /nfs/dbraw/zinc/35/56/52/357355652.db2.gz XRGALLCZTYNHRS-UHFFFAOYSA-N 1 0 292.299 1.063 20 5 CDBDRO C[C@]1(C(=O)NCc2cccc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000062861028 357499309 /nfs/dbraw/zinc/49/93/09/357499309.db2.gz UNVDDQPOHZEZLQ-AWEZNQCLSA-N 1 0 277.324 1.601 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000149449756 357447481 /nfs/dbraw/zinc/44/74/81/357447481.db2.gz PFIDWKKVWPJPHY-HTQZYQBOSA-N 1 0 268.704 1.299 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000283497821 357565678 /nfs/dbraw/zinc/56/56/78/357565678.db2.gz OQAFEZXDHCRXQD-JTQLQIEISA-N 1 0 295.339 1.673 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000186730249 357680224 /nfs/dbraw/zinc/68/02/24/357680224.db2.gz ZIZNFNYATSGQAB-OIBJUYFYSA-N 1 0 296.302 1.044 20 5 CDBDRO Cc1cc(C(=O)NC2(C[NH3+])CCCC2)cc([N+](=O)[O-])c1 ZINC000135230408 357799586 /nfs/dbraw/zinc/79/95/86/357799586.db2.gz XEQRHACVYOERKH-UHFFFAOYSA-N 1 0 277.324 1.905 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000294703677 199142378 /nfs/dbraw/zinc/14/23/78/199142378.db2.gz AYQDGMKKNKBFGO-NSHDSACASA-N 1 0 295.339 1.607 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000193556254 358302761 /nfs/dbraw/zinc/30/27/61/358302761.db2.gz FQPAUXUFENSHLZ-MNOVXSKESA-N 1 0 292.339 1.263 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000287233308 358331264 /nfs/dbraw/zinc/33/12/64/358331264.db2.gz POKKXLJDLFMTHK-VIFPVBQESA-N 1 0 297.380 1.997 20 5 CDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCCO ZINC000194216082 358350897 /nfs/dbraw/zinc/35/08/97/358350897.db2.gz FDUSIOHXYVCVSI-NSHDSACASA-N 1 0 295.339 1.674 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000132676594 358574777 /nfs/dbraw/zinc/57/47/77/358574777.db2.gz QNTYLBBJJSIIBF-SECBINFHSA-N 1 0 297.742 1.930 20 5 CDBDRO COC[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592993979 358606676 /nfs/dbraw/zinc/60/66/76/358606676.db2.gz PXLMFZASCGXUEU-JTQLQIEISA-N 1 0 281.312 1.548 20 5 CDBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341597112 358680871 /nfs/dbraw/zinc/68/08/71/358680871.db2.gz XJWGJAUPJLOILJ-RYUDHWBXSA-N 1 0 279.340 1.877 20 5 CDBDRO CSC[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000135449261 358754702 /nfs/dbraw/zinc/75/47/02/358754702.db2.gz ZHILFRRANTUHPZ-SNVBAGLBSA-N 1 0 270.358 1.619 20 5 CDBDRO Cc1ccncc1CCC[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000290453500 366519079 /nfs/dbraw/zinc/51/90/79/366519079.db2.gz SXNSYJLTQBPJRR-UHFFFAOYSA-N 1 0 289.339 1.717 20 5 CDBDRO COc1ccc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000234938048 359021526 /nfs/dbraw/zinc/02/15/26/359021526.db2.gz IEDSAKKCPWNZSF-GXSJLCMTSA-N 1 0 293.323 1.474 20 5 CDBDRO COC[C@@](C)([NH3+])CNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000265064687 359083554 /nfs/dbraw/zinc/08/35/54/359083554.db2.gz UHOWRMCPPIHFQT-ZDUSSCGKSA-N 1 0 281.312 1.573 20 5 CDBDRO CCOC(=O)CC[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000338781134 359169290 /nfs/dbraw/zinc/16/92/90/359169290.db2.gz GWJMLFLWXCAILD-UHFFFAOYSA-N 1 0 296.323 1.859 20 5 CDBDRO C[NH+](C)CCO[C@@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000342639541 359302712 /nfs/dbraw/zinc/30/27/12/359302712.db2.gz UHLMQILMKZPGCM-LLVKDONJSA-N 1 0 297.330 1.891 20 5 CDBDRO COC[C@H]1CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339004675 359268660 /nfs/dbraw/zinc/26/86/60/359268660.db2.gz WUMMYQMDJJHXJS-JTQLQIEISA-N 1 0 266.297 1.769 20 5 CDBDRO CC[C@H]1CN(CC[NH2+]Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000487149694 359320139 /nfs/dbraw/zinc/32/01/39/359320139.db2.gz FZTJGABPAILJGK-AWEZNQCLSA-N 1 0 293.367 1.795 20 5 CDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CCC[NH2+]C1 ZINC000050162322 359352238 /nfs/dbraw/zinc/35/22/38/359352238.db2.gz JPZZHXUEKNTSSA-VHSXEESVSA-N 1 0 280.328 1.051 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000050246369 359407761 /nfs/dbraw/zinc/40/77/61/359407761.db2.gz IDPUOHMHXXGOBL-VIFPVBQESA-N 1 0 264.285 1.407 20 5 CDBDRO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015928 359561777 /nfs/dbraw/zinc/56/17/77/359561777.db2.gz QIAKHLVNQQATHA-JOYOIKCWSA-N 1 0 265.313 1.584 20 5 CDBDRO C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000050162582 359599652 /nfs/dbraw/zinc/59/96/52/359599652.db2.gz AFMAXSQRCHZTNB-WCQYABFASA-N 1 0 291.351 1.642 20 5 CDBDRO O=[N+]([O-])c1ncccc1NCCN1CCSCC1 ZINC000226230529 359651107 /nfs/dbraw/zinc/65/11/07/359651107.db2.gz NVFVLMNSBJDODW-UHFFFAOYSA-N 1 0 268.342 1.451 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000238032428 283507218 /nfs/dbraw/zinc/50/72/18/283507218.db2.gz KVMLPPMKXUBWDO-LLVKDONJSA-N 1 0 292.339 1.347 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000408244702 360040479 /nfs/dbraw/zinc/04/04/79/360040479.db2.gz DGPCHWDUQPEGNO-NXEZZACHSA-N 1 0 250.302 1.560 20 5 CDBDRO [NH3+]C[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CCO1 ZINC000420244204 283524203 /nfs/dbraw/zinc/52/42/03/283524203.db2.gz QPHCDTWSTYLDPI-NSHDSACASA-N 1 0 288.307 1.307 20 5 CDBDRO COC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000089580556 360496036 /nfs/dbraw/zinc/49/60/36/360496036.db2.gz YPWIEKOAYQWKSE-AWEZNQCLSA-N 1 0 280.324 1.988 20 5 CDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])o1 ZINC000177762457 189068249 /nfs/dbraw/zinc/06/82/49/189068249.db2.gz OBVCVCNRMLEUKR-MNOVXSKESA-N 1 0 293.323 1.887 20 5 CDBDRO C[C@@]1(O)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000177970298 189082520 /nfs/dbraw/zinc/08/25/20/189082520.db2.gz FWZUCLZEDJEJBE-CYBMUJFWSA-N 1 0 250.298 1.594 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[NH2+]C2)n1 ZINC000162855540 360574619 /nfs/dbraw/zinc/57/46/19/360574619.db2.gz YPNYAMMRPCVLMI-JTQLQIEISA-N 1 0 250.302 1.710 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000178075720 189089051 /nfs/dbraw/zinc/08/90/51/189089051.db2.gz FHRNOUZWRGKNAJ-UHFFFAOYSA-N 1 0 280.328 1.027 20 5 CDBDRO Cc1c(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000235687544 360589065 /nfs/dbraw/zinc/58/90/65/360589065.db2.gz MXDVIGUWZDWGIZ-ONGXEEELSA-N 1 0 277.324 1.774 20 5 CDBDRO COC[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)OC ZINC000227708000 360688353 /nfs/dbraw/zinc/68/83/53/360688353.db2.gz BDOHSZRMXDJSBV-LBPRGKRZSA-N 1 0 254.286 1.346 20 5 CDBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[NH2+]C1 ZINC000179083786 189168043 /nfs/dbraw/zinc/16/80/43/189168043.db2.gz CQCLKMYMARTSAF-NSHDSACASA-N 1 0 297.742 1.611 20 5 CDBDRO CCc1ccc(C(=O)N(C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000179202302 189176755 /nfs/dbraw/zinc/17/67/55/189176755.db2.gz UMNMLTYAMHTFSG-SECBINFHSA-N 1 0 265.313 1.576 20 5 CDBDRO CCOCCNC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180430703 189254694 /nfs/dbraw/zinc/25/46/94/189254694.db2.gz YQDILNQUVVMLCE-LLVKDONJSA-N 1 0 295.339 1.398 20 5 CDBDRO O=C(NCCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])o1 ZINC000036262894 361375356 /nfs/dbraw/zinc/37/53/56/361375356.db2.gz ZQRZWALKCSDXBY-UHFFFAOYSA-N 1 0 253.258 1.060 20 5 CDBDRO Cc1c(C(=O)NC[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000053253321 361403123 /nfs/dbraw/zinc/40/31/23/361403123.db2.gz XGMIBRIHBFAIDR-JTQLQIEISA-N 1 0 263.297 1.385 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000168716810 361409317 /nfs/dbraw/zinc/40/93/17/361409317.db2.gz BTEGZJJMFGFFKD-ZYHUDNBSSA-N 1 0 277.324 1.333 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000274475783 361492045 /nfs/dbraw/zinc/49/20/45/361492045.db2.gz YQGGYTZSRWZQOI-SSDOTTSWSA-N 1 0 271.704 1.254 20 5 CDBDRO Cc1nc(NCC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000166901349 361567563 /nfs/dbraw/zinc/56/75/63/361567563.db2.gz NMSPWULEHYFSJF-SNVBAGLBSA-N 1 0 250.302 1.852 20 5 CDBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+]C(CO)CO)c1 ZINC000580960197 363959763 /nfs/dbraw/zinc/95/97/63/363959763.db2.gz HAYOSHIYOYWRGE-UHFFFAOYSA-N 1 0 294.229 1.056 20 5 CDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000345816314 364023579 /nfs/dbraw/zinc/02/35/79/364023579.db2.gz LFINIIAJXVJUKR-OLZOCXBDSA-N 1 0 291.351 1.908 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000268185576 364401956 /nfs/dbraw/zinc/40/19/56/364401956.db2.gz XVFHXRHQBAYCEX-UHFFFAOYSA-N 1 0 269.276 1.368 20 5 CDBDRO CC[C@@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000105791299 364781272 /nfs/dbraw/zinc/78/12/72/364781272.db2.gz GGEXKBYKENLODF-GFCCVEGCSA-N 1 0 294.355 1.537 20 5 CDBDRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000270507532 366892007 /nfs/dbraw/zinc/89/20/07/366892007.db2.gz RDQTXXRJTFZRPD-MNOVXSKESA-N 1 0 268.317 1.027 20 5 CDBDRO Cc1c(NC(=O)N2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000414705120 241341240 /nfs/dbraw/zinc/34/12/40/241341240.db2.gz NOJBNZWWXUYJPY-UHFFFAOYSA-N 1 0 264.285 1.340 20 5 CDBDRO O=[N+]([O-])c1ccc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414814229 241399079 /nfs/dbraw/zinc/39/90/79/241399079.db2.gz NPQGXMPXYKQSLB-FUNVUKJBSA-N 1 0 261.325 1.967 20 5 CDBDRO Cc1nc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ncc1[N+](=O)[O-] ZINC000297442964 367246966 /nfs/dbraw/zinc/24/69/66/367246966.db2.gz ITXSBYHGBBFFBR-VXGBXAGGSA-N 1 0 291.355 1.614 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000348636918 367598410 /nfs/dbraw/zinc/59/84/10/367598410.db2.gz SBNJVKNERPLBRY-WTMFUUHESA-N 1 0 292.335 1.690 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235447092 367638896 /nfs/dbraw/zinc/63/88/96/367638896.db2.gz IUAHAHKVIOSWGX-MWLCHTKSSA-N 1 0 263.297 1.465 20 5 CDBDRO [NH3+]C1(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000417227165 242366311 /nfs/dbraw/zinc/36/63/11/242366311.db2.gz LOZXGBVSSVAIMV-UHFFFAOYSA-N 1 0 292.339 1.318 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)[C@H]2C1 ZINC000272437753 367732516 /nfs/dbraw/zinc/73/25/16/367732516.db2.gz IFVOUKAZDJMLSK-KOLCDFICSA-N 1 0 278.312 1.089 20 5 CDBDRO CCC[C@@H](NC[C@H](O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000154318968 368156077 /nfs/dbraw/zinc/15/60/77/368156077.db2.gz QNUSOKKMVAHSME-LSDHHAIUSA-N 1 0 295.383 1.948 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441195663 368419159 /nfs/dbraw/zinc/41/91/59/368419159.db2.gz JDKTVVXSARVPMV-RYUDHWBXSA-N 1 0 294.355 1.577 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000418705538 243358295 /nfs/dbraw/zinc/35/82/95/243358295.db2.gz DUFHACDKMAGRCH-LBPRGKRZSA-N 1 0 294.355 1.516 20 5 CDBDRO Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000089091322 368862417 /nfs/dbraw/zinc/86/24/17/368862417.db2.gz VMOIXJMUNSITKX-RYUDHWBXSA-N 1 0 277.324 1.760 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000170734328 368854601 /nfs/dbraw/zinc/85/46/01/368854601.db2.gz NUBWRWPKNUSTGF-VIFPVBQESA-N 1 0 296.327 1.156 20 5 CDBDRO C[NH2+]CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000422789403 245257659 /nfs/dbraw/zinc/25/76/59/245257659.db2.gz WOCKKHNBSLZAQY-UHFFFAOYSA-N 1 0 265.313 1.469 20 5 CDBDRO Cc1c(CC(=O)NC[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000422793939 245265474 /nfs/dbraw/zinc/26/54/74/245265474.db2.gz XTSYKGZBKBEFJR-LBPRGKRZSA-N 1 0 277.324 1.314 20 5 CDBDRO COc1cccc(C(=O)NC[C@@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000422845205 245324586 /nfs/dbraw/zinc/32/45/86/245324586.db2.gz BABRILCLYMDGCV-SNVBAGLBSA-N 1 0 281.312 1.317 20 5 CDBDRO Cc1c(CC(=O)N(C)[C@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000422826491 245304742 /nfs/dbraw/zinc/30/47/42/245304742.db2.gz CEORPAKEZOFLRC-SECBINFHSA-N 1 0 265.313 1.251 20 5 CDBDRO COc1cc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)ccc1[N+](=O)[O-] ZINC000368192043 371880047 /nfs/dbraw/zinc/88/00/47/371880047.db2.gz DPRXZHFZPWEYMA-UWVGGRQHSA-N 1 0 297.286 1.033 20 5 CDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000332696090 204905168 /nfs/dbraw/zinc/90/51/68/204905168.db2.gz LKYMQEFXKWRVPJ-JTQLQIEISA-N 1 0 280.328 1.337 20 5 CDBDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266434529 372783241 /nfs/dbraw/zinc/78/32/41/372783241.db2.gz LJOWWJFAKBODTM-CQSZACIVSA-N 1 0 290.323 1.284 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(C3CC3)CC2)n1 ZINC000368333260 373307012 /nfs/dbraw/zinc/30/70/12/373307012.db2.gz SNTPGCKYUVPQOM-UHFFFAOYSA-N 1 0 264.329 1.913 20 5 CDBDRO COC(=O)c1cnc(NCC[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000190171381 373330464 /nfs/dbraw/zinc/33/04/64/373330464.db2.gz SDLUBSYDRFQEKT-UHFFFAOYSA-N 1 0 296.327 1.529 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1C[NH2+]C1 ZINC000423477871 245841175 /nfs/dbraw/zinc/84/11/75/245841175.db2.gz MDAYSPBSDPEGMQ-UHFFFAOYSA-N 1 0 263.297 1.161 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000104334939 373599479 /nfs/dbraw/zinc/59/94/79/373599479.db2.gz TUPJYCNYYMUCNP-UHFFFAOYSA-N 1 0 285.731 1.978 20 5 CDBDRO CC(C)[N@H+](C)CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000298444882 373603348 /nfs/dbraw/zinc/60/33/48/373603348.db2.gz QLYYXLVRBQZAJJ-UHFFFAOYSA-N 1 0 293.367 1.984 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000441607562 373610441 /nfs/dbraw/zinc/61/04/41/373610441.db2.gz ACNFDRAQAKMCMM-SSDOTTSWSA-N 1 0 271.704 1.573 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171451152 373676898 /nfs/dbraw/zinc/67/68/98/373676898.db2.gz UIPUMTFZCYWBNH-AWEZNQCLSA-N 1 0 289.335 1.905 20 5 CDBDRO C[C@@]1(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000423527103 245888178 /nfs/dbraw/zinc/88/81/78/245888178.db2.gz RDAPZOVMARSOFB-CQSZACIVSA-N 1 0 292.339 1.297 20 5 CDBDRO CCc1nn(C)c(NCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000091560451 374042256 /nfs/dbraw/zinc/04/22/56/374042256.db2.gz GPURNCNRJQSCLU-UHFFFAOYSA-N 1 0 281.360 1.789 20 5 CDBDRO C[C@H](NC(=O)N1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000418234029 374258751 /nfs/dbraw/zinc/25/87/51/374258751.db2.gz PNONJKWLGFGVSJ-NSHDSACASA-N 1 0 292.339 1.661 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000113246877 374247672 /nfs/dbraw/zinc/24/76/72/374247672.db2.gz PZYDOJUNHOZCGG-NSHDSACASA-N 1 0 292.339 1.343 20 5 CDBDRO [NH3+][C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000422935087 374364464 /nfs/dbraw/zinc/36/44/64/374364464.db2.gz KNVMAKSFBQOUSU-ZDUSSCGKSA-N 1 0 292.339 1.250 20 5 CDBDRO Cn1cc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000067386536 374409312 /nfs/dbraw/zinc/40/93/12/374409312.db2.gz LCXQFLKIHKAHEG-UHFFFAOYSA-N 1 0 290.323 1.839 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000429144488 374567900 /nfs/dbraw/zinc/56/79/00/374567900.db2.gz SWPSYDNFOSEVHW-PELKAZGASA-N 1 0 278.312 1.108 20 5 CDBDRO CS(=O)(=O)CCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000424176512 246370459 /nfs/dbraw/zinc/37/04/59/246370459.db2.gz XXVBLFQHBZKJNY-UHFFFAOYSA-N 1 0 286.353 1.509 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC3(CC3)CC2)n1 ZINC000378326693 374640315 /nfs/dbraw/zinc/64/03/15/374640315.db2.gz OWAWUJISTJBWKN-UHFFFAOYSA-N 1 0 250.302 1.667 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000070446772 374662203 /nfs/dbraw/zinc/66/22/03/374662203.db2.gz QGELNBBJOPVVOO-JTQLQIEISA-N 1 0 269.276 1.447 20 5 CDBDRO Cc1ccc(N2CC[NH+](C[C@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000275053867 374689461 /nfs/dbraw/zinc/68/94/61/374689461.db2.gz UIOSRCBXJSTPTR-LBPRGKRZSA-N 1 0 279.340 1.406 20 5 CDBDRO C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000154771624 374749406 /nfs/dbraw/zinc/74/94/06/374749406.db2.gz BGUCFJQLXIYTTH-MWLCHTKSSA-N 1 0 266.301 1.121 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCCN2CCCO)c1 ZINC000449385995 374805838 /nfs/dbraw/zinc/80/58/38/374805838.db2.gz HAMOWPCATMXQRQ-HNNXBMFYSA-N 1 0 293.367 1.531 20 5 CDBDRO CN(CC(C)(C)C[NH3+])C(=O)c1ccc([N+](=O)[O-])o1 ZINC000093873285 374789797 /nfs/dbraw/zinc/78/97/97/374789797.db2.gz TYNCEBPPGVUBJN-UHFFFAOYSA-N 1 0 255.274 1.245 20 5 CDBDRO C[NH2+]CCCN(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000124965718 374875297 /nfs/dbraw/zinc/87/52/97/374875297.db2.gz QRWJBIDSJOZTKJ-UHFFFAOYSA-N 1 0 267.329 1.645 20 5 CDBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000280499968 374998714 /nfs/dbraw/zinc/99/87/14/374998714.db2.gz BEGSICNMDYITMI-CQSZACIVSA-N 1 0 295.314 1.692 20 5 CDBDRO Cc1ccc(C[N@H+](C)CCOCCO)cc1[N+](=O)[O-] ZINC000282790427 375100314 /nfs/dbraw/zinc/10/03/14/375100314.db2.gz RDUUTPUKEASCJQ-UHFFFAOYSA-N 1 0 268.313 1.344 20 5 CDBDRO C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC(C)(C)O1 ZINC000131346614 375241444 /nfs/dbraw/zinc/24/14/44/375241444.db2.gz KHDNOEAERMAZNI-LLVKDONJSA-N 1 0 295.339 1.256 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000161934182 375224029 /nfs/dbraw/zinc/22/40/29/375224029.db2.gz SRKIGKKYWKOPFQ-NEPJUHHUSA-N 1 0 277.324 1.903 20 5 CDBDRO Cc1c(C[N@H+](CCO)C2CC2)cccc1[N+](=O)[O-] ZINC000048065120 375268962 /nfs/dbraw/zinc/26/89/62/375268962.db2.gz PACMUYRXAQLDPD-UHFFFAOYSA-N 1 0 250.298 1.860 20 5 CDBDRO O=[N+]([O-])c1ccc(CCN2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000601330949 375400794 /nfs/dbraw/zinc/40/07/94/375400794.db2.gz ZRHHRKDWYMQQJQ-BETUJISGSA-N 1 0 261.325 1.574 20 5 CDBDRO O=C(NCC[NH2+]C1CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132641122 375550085 /nfs/dbraw/zinc/55/00/85/375550085.db2.gz SMVYYTWSTVHTNM-UHFFFAOYSA-N 1 0 267.260 1.216 20 5 CDBDRO CC(C)[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000026712428 375561790 /nfs/dbraw/zinc/56/17/90/375561790.db2.gz FPNLLWSCRGPLGJ-UHFFFAOYSA-N 1 0 250.302 1.520 20 5 CDBDRO C[C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000057700937 375562108 /nfs/dbraw/zinc/56/21/08/375562108.db2.gz LFHXABDKAHWRRJ-VIFPVBQESA-N 1 0 295.314 1.946 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCCC[C@@H]1O ZINC000305810564 375659156 /nfs/dbraw/zinc/65/91/56/375659156.db2.gz LZFRCEMZGKYSLR-YPMHNXCESA-N 1 0 282.344 1.274 20 5 CDBDRO CC[C@](C)(NCc1ccc(Cl)cc1[N+](=O)[O-])C(N)=O ZINC000133183454 375716351 /nfs/dbraw/zinc/71/63/51/375716351.db2.gz QNHBSXZAPGCQIW-LBPRGKRZSA-N 1 0 285.731 1.992 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000058920353 375839016 /nfs/dbraw/zinc/83/90/16/375839016.db2.gz HYTWVASIRRPZNO-NSHDSACASA-N 1 0 293.323 1.888 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccoc1 ZINC000358269854 375959062 /nfs/dbraw/zinc/95/90/62/375959062.db2.gz CPEYTTJOHFPOSS-UHFFFAOYSA-N 1 0 250.258 1.516 20 5 CDBDRO C[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000130272629 376391243 /nfs/dbraw/zinc/39/12/43/376391243.db2.gz ZLWSITUGYUGYPX-CMPLNLGQSA-N 1 0 293.323 1.151 20 5 CDBDRO Cc1nc(N2CC[N@@H+]3CCCC[C@H]3C2)ncc1[N+](=O)[O-] ZINC000296666539 376689306 /nfs/dbraw/zinc/68/93/06/376689306.db2.gz YXSIMAZPZJXBJK-NSHDSACASA-N 1 0 277.328 1.368 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000189314093 377230807 /nfs/dbraw/zinc/23/08/07/377230807.db2.gz VBBAPXCGWDOBLB-UFBFGSQYSA-N 1 0 281.287 1.604 20 5 CDBDRO C[NH2+]C[C@@H](C)CNc1cc(OC)ccc1[N+](=O)[O-] ZINC000129523985 377315163 /nfs/dbraw/zinc/31/51/63/377315163.db2.gz NRDUNBKHOYUFFW-SECBINFHSA-N 1 0 253.302 1.871 20 5 CDBDRO C[NH+]1CCC(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173398335 378309179 /nfs/dbraw/zinc/30/91/79/378309179.db2.gz FUAHCOSTIREBKY-UHFFFAOYSA-N 1 0 291.351 1.595 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574926502 378781887 /nfs/dbraw/zinc/78/18/87/378781887.db2.gz FHZKATHEMDWWCW-BXKDBHETSA-N 1 0 277.324 1.696 20 5 CDBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001580767146 1172536064 /nfs/dbraw/zinc/53/60/64/1172536064.db2.gz ROGMMZQMTGQEAM-SDBXPKJASA-N 1 0 279.271 1.672 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CCOCC1 ZINC000449126772 250704951 /nfs/dbraw/zinc/70/49/51/250704951.db2.gz NAQKVHNGIDEKIV-LBPRGKRZSA-N 1 0 294.351 1.657 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000449584955 250915024 /nfs/dbraw/zinc/91/50/24/250915024.db2.gz DYMQRLRAJHQCQZ-ZJUUUORDSA-N 1 0 279.340 1.724 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000449757141 251002440 /nfs/dbraw/zinc/00/24/40/251002440.db2.gz XKMRGEYSZZCZCF-ZDUSSCGKSA-N 1 0 291.351 1.784 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+]2CCCO)c(F)c1 ZINC000450593449 251356801 /nfs/dbraw/zinc/35/68/01/251356801.db2.gz IMROFVBELMLHRV-LBPRGKRZSA-N 1 0 297.330 1.993 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000382453493 412954546 /nfs/dbraw/zinc/95/45/46/412954546.db2.gz OUFWLSHGJAVFFN-CMPLNLGQSA-N 1 0 277.324 1.760 20 5 CDBDRO O=[N+]([O-])c1c(N2CC[C@@H]3C[NH2+]C[C@H]3C2)nc2sccn21 ZINC000261662363 285078001 /nfs/dbraw/zinc/07/80/01/285078001.db2.gz FCGOEXVCXZARTC-BDAKNGLRSA-N 1 0 293.352 1.350 20 5 CDBDRO C[C@@H](NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000493141647 253381215 /nfs/dbraw/zinc/38/12/15/253381215.db2.gz RWDFKIMDPKDRSK-HNEWHRDISA-N 1 0 281.287 1.599 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000363911019 285172877 /nfs/dbraw/zinc/17/28/77/285172877.db2.gz SWCXERMPBDJJFK-SNVBAGLBSA-N 1 0 263.301 1.059 20 5 CDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000288579254 197118836 /nfs/dbraw/zinc/11/88/36/197118836.db2.gz XHSVRKREFDMEPK-UWVGGRQHSA-N 1 0 293.327 1.017 20 5 CDBDRO C[C@@H](NC(=O)NCCCC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000417985695 227369150 /nfs/dbraw/zinc/36/91/50/227369150.db2.gz PYXXHQJUNOGVKV-SNVBAGLBSA-N 1 0 280.328 1.694 20 5 CDBDRO C[S@@](=O)C1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000282194291 195533679 /nfs/dbraw/zinc/53/36/79/195533679.db2.gz CEMHDGAOPBKWHA-GOSISDBHSA-N 1 0 268.338 1.596 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000281834815 390435185 /nfs/dbraw/zinc/43/51/85/390435185.db2.gz INUHJOOMFKQBRN-APPZFPTMSA-N 1 0 268.342 1.946 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000320784265 390520505 /nfs/dbraw/zinc/52/05/05/390520505.db2.gz FBLXSWOTGXQYBJ-BQBZGAKWSA-N 1 0 257.315 1.512 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000044747930 390659264 /nfs/dbraw/zinc/65/92/64/390659264.db2.gz ABZVCOOTOCRKCL-SNVBAGLBSA-N 1 0 263.297 1.467 20 5 CDBDRO CCN1C[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000391622043 390965025 /nfs/dbraw/zinc/96/50/25/390965025.db2.gz HJARUCRIKPQHOW-LBPRGKRZSA-N 1 0 277.324 1.614 20 5 CDBDRO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC(C)(C)C1 ZINC000343990823 391095034 /nfs/dbraw/zinc/09/50/34/391095034.db2.gz KDTUOBXKTLEZMT-AAEUAGOBSA-N 1 0 296.371 1.520 20 5 CDBDRO O=[N+]([O-])c1cnc(NCCC[NH+]2CCC(O)CC2)c(F)c1 ZINC000413062268 391154114 /nfs/dbraw/zinc/15/41/14/391154114.db2.gz BADJDUHZLCCIHK-UHFFFAOYSA-N 1 0 298.318 1.388 20 5 CDBDRO [NH3+]CC[C@@H](NCc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000414987783 391230589 /nfs/dbraw/zinc/23/05/89/391230589.db2.gz JZKSANHAQWRIIM-SNVBAGLBSA-N 1 0 259.256 1.667 20 5 CDBDRO CC[N@@H+]1CCCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000264624439 391283658 /nfs/dbraw/zinc/28/36/58/391283658.db2.gz JALSTSQAFRZLKJ-UHFFFAOYSA-N 1 0 295.368 1.836 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000415497522 391467792 /nfs/dbraw/zinc/46/77/92/391467792.db2.gz HXUZUQHVXURTLG-LLVKDONJSA-N 1 0 278.312 1.762 20 5 CDBDRO O=C1C[C@@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CN1 ZINC000567178690 391468647 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C[C@H]1CCNC(=O)[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000193622603 391907867 /nfs/dbraw/zinc/90/78/67/391907867.db2.gz HCKAEFPJNNKAJV-GXFFZTMASA-N 1 0 277.324 1.252 20 5 CDBDRO [NH3+][C@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000133120053 391917951 /nfs/dbraw/zinc/91/79/51/391917951.db2.gz FSCKPQNCSNFJSX-WXJAXGNASA-N 1 0 275.308 1.462 20 5 CDBDRO CO[C@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000487985021 391927643 /nfs/dbraw/zinc/92/76/43/391927643.db2.gz GBSDLBFEOBVIFG-STQMWFEESA-N 1 0 266.297 1.440 20 5 CDBDRO CO[C@H]1C[NH+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000487988238 391930006 /nfs/dbraw/zinc/93/00/06/391930006.db2.gz NFVSRKWIHRYKJI-KBPBESRZSA-N 1 0 296.323 1.319 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000261684925 131161987 /nfs/dbraw/zinc/16/19/87/131161987.db2.gz MTEGDYSUUONTHW-BXUZGUMPSA-N 1 0 289.335 1.727 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261791414 131169590 /nfs/dbraw/zinc/16/95/90/131169590.db2.gz LYQPLTAAUDLJOL-TXEJJXNPSA-N 1 0 289.335 1.666 20 5 CDBDRO Nc1c(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000262657308 131247625 /nfs/dbraw/zinc/24/76/25/131247625.db2.gz XJUVPEPISGFRCZ-ZJUUUORDSA-N 1 0 290.323 1.144 20 5 CDBDRO CO[C@H]1C[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000459783199 392507397 /nfs/dbraw/zinc/50/73/97/392507397.db2.gz ZNBROSGFXDKZRC-QWRGUYRKSA-N 1 0 280.328 1.339 20 5 CDBDRO COCC[N@@H+]1CC[C@@H](Nc2ncc(C)cc2[N+](=O)[O-])C1 ZINC000266240492 131705584 /nfs/dbraw/zinc/70/55/84/131705584.db2.gz WYBUIIIXCPPHIL-LLVKDONJSA-N 1 0 280.328 1.431 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000523352920 392887082 /nfs/dbraw/zinc/88/70/82/392887082.db2.gz UZGKDCOOQKTRMC-JTQLQIEISA-N 1 0 280.328 1.383 20 5 CDBDRO O=[N+]([O-])c1cnc(NCC[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000420210046 392905462 /nfs/dbraw/zinc/90/54/62/392905462.db2.gz SBWWVQWTPFERAQ-SECBINFHSA-N 1 0 268.292 1.931 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(NCC[C@H]3CCC[NH2+]3)c21 ZINC000420244964 392913572 /nfs/dbraw/zinc/91/35/72/392913572.db2.gz ZJHKVQVIXAAXCL-SNVBAGLBSA-N 1 0 287.323 1.514 20 5 CDBDRO NC(=O)CC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000421355150 392933454 /nfs/dbraw/zinc/93/34/54/392933454.db2.gz YNJSOGJJAYJHQP-UHFFFAOYSA-N 1 0 281.287 1.479 20 5 CDBDRO COCCN1CC[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000268891122 132083881 /nfs/dbraw/zinc/08/38/81/132083881.db2.gz JJSWVHUURASZJY-TZMCWYRMSA-N 1 0 293.367 1.966 20 5 CDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000269139508 132118990 /nfs/dbraw/zinc/11/89/90/132118990.db2.gz YDHWVBQIXOFMLA-SECBINFHSA-N 1 0 297.742 1.864 20 5 CDBDRO CCCc1n[nH]c(C(=O)N2CCC(C[NH3+])CC2)c1[N+](=O)[O-] ZINC000269185717 132126898 /nfs/dbraw/zinc/12/68/98/132126898.db2.gz KYOFIQULVHXHAS-UHFFFAOYSA-N 1 0 295.343 1.081 20 5 CDBDRO [NH3+]C1(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000269221204 132134753 /nfs/dbraw/zinc/13/47/53/132134753.db2.gz AYLBZTJWJYPPGP-UHFFFAOYSA-N 1 0 269.688 1.356 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000313942097 392958511 /nfs/dbraw/zinc/95/85/11/392958511.db2.gz OPCPOJIGTKFENQ-NFAHFFEMSA-N 1 0 289.335 1.805 20 5 CDBDRO Cc1c(CC(=O)N(C)C2CC([NH3+])C2)cccc1[N+](=O)[O-] ZINC000423710261 392967193 /nfs/dbraw/zinc/96/71/93/392967193.db2.gz RQLVJKAWYGCXBB-UHFFFAOYSA-N 1 0 277.324 1.394 20 5 CDBDRO O=[N+]([O-])c1cnn(CCN2CCC([NH2+]CC3CC3)CC2)c1 ZINC000430582195 393100989 /nfs/dbraw/zinc/10/09/89/393100989.db2.gz JPZJETUFGQSOPZ-UHFFFAOYSA-N 1 0 293.371 1.255 20 5 CDBDRO [NH3+][C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430620274 393102434 /nfs/dbraw/zinc/10/24/34/393102434.db2.gz BBSCPPGIBUITKH-QMMMGPOBSA-N 1 0 262.269 1.269 20 5 CDBDRO [NH3+]C[C@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430600201 393102534 /nfs/dbraw/zinc/10/25/34/393102534.db2.gz ATXHZFPUTCKWFY-SNVBAGLBSA-N 1 0 267.304 1.905 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H](C[NH3+])C1 ZINC000430965506 393107499 /nfs/dbraw/zinc/10/74/99/393107499.db2.gz KAIOGNSWUCNPSS-NSHDSACASA-N 1 0 292.339 1.122 20 5 CDBDRO C[C@@H](C[NH3+])N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000430941047 393107630 /nfs/dbraw/zinc/10/76/30/393107630.db2.gz TXCYUZMJINERSR-JTQLQIEISA-N 1 0 253.302 1.253 20 5 CDBDRO COCC[C@@](C)(O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449143261 393129220 /nfs/dbraw/zinc/12/92/20/393129220.db2.gz PPYNBKXXUVIYTE-SWLSCSKDSA-N 1 0 296.367 1.903 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CCC[NH3+] ZINC000449574701 393134128 /nfs/dbraw/zinc/13/41/28/393134128.db2.gz VSTFIKCKSUHXST-VIFPVBQESA-N 1 0 281.312 1.461 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3nc4sccn4c3[N+](=O)[O-])C[C@H]2C1 ZINC000278866271 393142969 /nfs/dbraw/zinc/14/29/69/393142969.db2.gz YVVOBQVJOWMTLW-DTORHVGOSA-N 1 0 293.352 1.302 20 5 CDBDRO Cc1cc(N2CCC[C@H](CC[NH3+])C2)ncc1[N+](=O)[O-] ZINC000092027752 139688990 /nfs/dbraw/zinc/68/89/90/139688990.db2.gz FGEFHZZNXONVRD-LLVKDONJSA-N 1 0 264.329 1.863 20 5 CDBDRO [NH3+]CCCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000165287263 139924929 /nfs/dbraw/zinc/92/49/29/139924929.db2.gz DLWGGQLOTJDWKS-UHFFFAOYSA-N 1 0 255.249 1.203 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC000231856494 140219389 /nfs/dbraw/zinc/21/93/89/140219389.db2.gz IESXSOWYTDFHDR-BXKDBHETSA-N 1 0 277.324 1.375 20 5 CDBDRO Cn1c(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1[N+](=O)[O-] ZINC000252843601 140326717 /nfs/dbraw/zinc/32/67/17/140326717.db2.gz DEGYVBRHUGDKPF-DCAQKATOSA-N 1 0 292.339 1.133 20 5 CDBDRO Cn1c(C(=O)N[C@@H](C[NH3+])C(C)(C)C)ccc1[N+](=O)[O-] ZINC000261559929 140348646 /nfs/dbraw/zinc/34/86/46/140348646.db2.gz ZUSPJSLUCKRUKC-VIFPVBQESA-N 1 0 268.317 1.037 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]([NH3+])C1 ZINC000261569526 140350986 /nfs/dbraw/zinc/35/09/86/140350986.db2.gz JXUPGAYPTWKLKL-SECBINFHSA-N 1 0 253.306 1.047 20 5 CDBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000261580420 140354365 /nfs/dbraw/zinc/35/43/65/140354365.db2.gz QBHICZXLZUQDHF-VIFPVBQESA-N 1 0 253.277 1.528 20 5 CDBDRO C[C@]1(C[NH3+])CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261590520 140357626 /nfs/dbraw/zinc/35/76/26/140357626.db2.gz LHAGFDXZJGPERG-CYBMUJFWSA-N 1 0 267.304 1.905 20 5 CDBDRO COc1ccc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000261604221 140362078 /nfs/dbraw/zinc/36/20/78/140362078.db2.gz CLWCSGLFQQCJLM-STQMWFEESA-N 1 0 291.351 1.787 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000261685431 140375091 /nfs/dbraw/zinc/37/50/91/140375091.db2.gz KGXKSXANIODWIM-MNOVXSKESA-N 1 0 290.323 1.668 20 5 CDBDRO COC[C@]1(CNc2ncc(C)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261743468 140383383 /nfs/dbraw/zinc/38/33/83/140383383.db2.gz MCKCSSPVUZFYQH-CYBMUJFWSA-N 1 0 280.328 1.479 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@]1(C)CCC[NH2+]C1 ZINC000261813946 140392631 /nfs/dbraw/zinc/39/26/31/140392631.db2.gz SRFMZJWEKNABDS-ZDUSSCGKSA-N 1 0 281.360 1.921 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000261813039 140392914 /nfs/dbraw/zinc/39/29/14/140392914.db2.gz ZXDBBCKKQLCQMW-UHFFFAOYSA-N 1 0 292.339 1.529 20 5 CDBDRO C[C@@H]([NH3+])CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000261829386 140395276 /nfs/dbraw/zinc/39/52/76/140395276.db2.gz JDECZTABVPRTSC-SNVBAGLBSA-N 1 0 277.324 1.823 20 5 CDBDRO CN(CC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000343454306 152186489 /nfs/dbraw/zinc/18/64/89/152186489.db2.gz AHQUHPTWLXEPLJ-UHFFFAOYSA-N 1 0 266.301 1.091 20 5 CDBDRO CC[N@H+](CCCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343729045 152281673 /nfs/dbraw/zinc/28/16/73/152281673.db2.gz YBJVVMGDDFSDGT-UHFFFAOYSA-N 1 0 295.339 1.628 20 5 CDBDRO CN(CCC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000343748381 152289170 /nfs/dbraw/zinc/28/91/70/152289170.db2.gz LHZHDAVEGABRHX-UHFFFAOYSA-N 1 0 280.328 1.481 20 5 CDBDRO CCC[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000343999358 152384070 /nfs/dbraw/zinc/38/40/70/152384070.db2.gz SVRWFSIFLCSQSS-SECBINFHSA-N 1 0 270.358 1.760 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[C@](C)(C[NH3+])C2)n1 ZINC000311592184 292289183 /nfs/dbraw/zinc/28/91/83/292289183.db2.gz GSOYMNRLZDRVDI-NOZJJQNGSA-N 1 0 264.329 1.719 20 5 CDBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000349917896 154271223 /nfs/dbraw/zinc/27/12/23/154271223.db2.gz BVLYZKZCAZDAIR-ZETCQYMHSA-N 1 0 280.259 1.934 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cncn1C ZINC000349958222 154288181 /nfs/dbraw/zinc/28/81/81/154288181.db2.gz AJBXMZBIOFXTSS-UHFFFAOYSA-N 1 0 289.295 1.958 20 5 CDBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000352211507 155025166 /nfs/dbraw/zinc/02/51/66/155025166.db2.gz KRGZGTJFKYTMHY-NSHDSACASA-N 1 0 295.339 1.626 20 5 CDBDRO C[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000354042769 156237157 /nfs/dbraw/zinc/23/71/57/156237157.db2.gz RMOVDZMOTNDGMG-DGCLKSJQSA-N 1 0 296.371 1.520 20 5 CDBDRO CC(C)[NH+](CCN(C)C(=O)c1n[nH]cc1[N+](=O)[O-])C(C)C ZINC000357059449 157644491 /nfs/dbraw/zinc/64/44/91/157644491.db2.gz OGFJFKNHDIBRGF-UHFFFAOYSA-N 1 0 297.359 1.509 20 5 CDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000359203771 158162302 /nfs/dbraw/zinc/16/23/02/158162302.db2.gz UNPFDWPJLFVUGF-CYBMUJFWSA-N 1 0 277.324 1.809 20 5 CDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000359214686 158166091 /nfs/dbraw/zinc/16/60/91/158166091.db2.gz LUNNKJAZYIXJFC-JTQLQIEISA-N 1 0 292.339 1.391 20 5 CDBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)CO ZINC000359667951 158329070 /nfs/dbraw/zinc/32/90/70/158329070.db2.gz AXEKFSPSBKMKTP-ZDUSSCGKSA-N 1 0 268.313 1.158 20 5 CDBDRO O=C1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)[C@H]2CCCCN12 ZINC000376588524 160490212 /nfs/dbraw/zinc/49/02/12/160490212.db2.gz CRSWZDZYRAKSRS-UONOGXRCSA-N 1 0 289.335 1.838 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2C2CC2)c1 ZINC000363572907 159329650 /nfs/dbraw/zinc/32/96/50/159329650.db2.gz KYDQDEYRUMJEGT-OLZOCXBDSA-N 1 0 280.328 1.027 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000373193348 160181348 /nfs/dbraw/zinc/18/13/48/160181348.db2.gz XXMPYZVNKIRZIC-YNEHKIRRSA-N 1 0 292.339 1.339 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)CO ZINC000284372275 196041839 /nfs/dbraw/zinc/04/18/39/196041839.db2.gz FALSFOAOHZPULH-LLVKDONJSA-N 1 0 295.339 1.544 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1COCCO1 ZINC000038060690 174071491 /nfs/dbraw/zinc/07/14/91/174071491.db2.gz CEQGJKCQSPYTMW-LLVKDONJSA-N 1 0 252.270 1.100 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000040595037 174348499 /nfs/dbraw/zinc/34/84/99/174348499.db2.gz VJMRZYCBAHPOCB-GFCCVEGCSA-N 1 0 291.351 1.975 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000040595049 174348599 /nfs/dbraw/zinc/34/85/99/174348599.db2.gz YLHXDNMAHWDNAZ-SECBINFHSA-N 1 0 267.285 1.259 20 5 CDBDRO C[NH+](C)CC1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CCCC1 ZINC000286168635 196515594 /nfs/dbraw/zinc/51/55/94/196515594.db2.gz TYKFPFVNIYGLQB-UHFFFAOYSA-N 1 0 295.343 1.170 20 5 CDBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000044491643 175180562 /nfs/dbraw/zinc/18/05/62/175180562.db2.gz XRTNYDXFISDGAM-LLVKDONJSA-N 1 0 263.297 1.467 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[NH2+]1 ZINC000044492191 175181031 /nfs/dbraw/zinc/18/10/31/175181031.db2.gz VAMPGMVTDKBZIS-LBPRGKRZSA-N 1 0 277.324 1.396 20 5 CDBDRO COC[C@H](O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000071272715 176105378 /nfs/dbraw/zinc/10/53/78/176105378.db2.gz HZUPVQNWJUYKQI-SNVBAGLBSA-N 1 0 274.704 1.345 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C[NH2+]1 ZINC000086468166 296921783 /nfs/dbraw/zinc/92/17/83/296921783.db2.gz MIMCCLWJKDYJST-BDAKNGLRSA-N 1 0 281.287 1.556 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCCO[C@@H](C[NH3+])C1 ZINC000313347505 260285581 /nfs/dbraw/zinc/28/55/81/260285581.db2.gz SHPOYGRGSXXXKD-ZDUSSCGKSA-N 1 0 295.339 1.153 20 5 CDBDRO C[N@@H+]1CC[C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000518358328 260382533 /nfs/dbraw/zinc/38/25/33/260382533.db2.gz IROXHGCNSUWWCE-LLVKDONJSA-N 1 0 263.297 1.163 20 5 CDBDRO CC1(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CC[NH2+]CC1 ZINC000129095084 260383327 /nfs/dbraw/zinc/38/33/27/260383327.db2.gz SUKUKBQPOFEPDI-UHFFFAOYSA-N 1 0 295.314 1.853 20 5 CDBDRO C[C@@H](CCO)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000519716142 265548786 /nfs/dbraw/zinc/54/87/86/265548786.db2.gz YDGGVYNUQDAMRE-NSHDSACASA-N 1 0 295.339 1.532 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000085362109 270229483 /nfs/dbraw/zinc/22/94/83/270229483.db2.gz GIYYFQKQMCPFAY-FNORWQNLSA-N 1 0 295.314 1.767 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000397766890 270350821 /nfs/dbraw/zinc/35/08/21/270350821.db2.gz KECZXKXSQBRVPB-UHFFFAOYSA-N 1 0 296.302 1.140 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000186837564 274306965 /nfs/dbraw/zinc/30/69/65/274306965.db2.gz IDKTUWLISIRRAO-SKDRFNHKSA-N 1 0 263.297 1.323 20 5 CDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000286477452 274387533 /nfs/dbraw/zinc/38/75/33/274387533.db2.gz WHQNVIDVFNAYSU-NXEZZACHSA-N 1 0 292.343 1.030 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000038048666 274955892 /nfs/dbraw/zinc/95/58/92/274955892.db2.gz GXKFPBGCMKXIDE-VXGBXAGGSA-N 1 0 263.297 1.595 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]2C[NH+]2CCCC2)nc1 ZINC000275084253 275040916 /nfs/dbraw/zinc/04/09/16/275040916.db2.gz ZFWQTYQUEQTJAB-NSHDSACASA-N 1 0 277.328 1.449 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000262436368 276270388 /nfs/dbraw/zinc/27/03/88/276270388.db2.gz GJYLQKTWNRMVSJ-MRVPVSSYSA-N 1 0 269.276 1.462 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000375065881 277280644 /nfs/dbraw/zinc/28/06/44/277280644.db2.gz QNFVWKSOGKIJQX-JQWIXIFHSA-N 1 0 281.287 1.367 20 5 CDBDRO C[C@@H](CO)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000127526426 278290584 /nfs/dbraw/zinc/29/05/84/278290584.db2.gz FLEZULKLSAHEEN-GXFFZTMASA-N 1 0 264.325 1.886 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000163532358 278863216 /nfs/dbraw/zinc/86/32/16/278863216.db2.gz RCRAJSCGPCGJLB-RYUDHWBXSA-N 1 0 291.351 1.960 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000063582329 279196467 /nfs/dbraw/zinc/19/64/67/279196467.db2.gz UMXFFDGXXWLKND-AWEZNQCLSA-N 1 0 291.351 1.973 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417225684 279396825 /nfs/dbraw/zinc/39/68/25/279396825.db2.gz JVUGFGFZKMABNT-JTQLQIEISA-N 1 0 280.328 1.174 20 5 CDBDRO [NH3+][C@@H]1CCN(c2cnc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000095072106 279677686 /nfs/dbraw/zinc/67/76/86/279677686.db2.gz PYZVYNOAGJMRRV-MRVPVSSYSA-N 1 0 259.269 1.075 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCCC[C@H]1C[NH3+] ZINC000261605318 280533781 /nfs/dbraw/zinc/53/37/81/280533781.db2.gz RICRCXPIGUGQLI-JTQLQIEISA-N 1 0 267.333 1.437 20 5 CDBDRO COC1(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[NH2+]CC1 ZINC000314438317 280625947 /nfs/dbraw/zinc/62/59/47/280625947.db2.gz BNGNRRYYDBMDNS-UHFFFAOYSA-N 1 0 293.323 1.610 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)C2CCC2)cc1 ZINC000316585175 280630356 /nfs/dbraw/zinc/63/03/56/280630356.db2.gz NNKPUFGQDRUTTI-CYBMUJFWSA-N 1 0 250.298 1.845 20 5 CDBDRO Cc1ccnc(NC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000070495858 281470003 /nfs/dbraw/zinc/47/00/03/281470003.db2.gz MKOFIRXCRGASFE-UHFFFAOYSA-N 1 0 250.302 1.804 20 5 CDBDRO C[C@@H]1CC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000562488173 290531656 /nfs/dbraw/zinc/53/16/56/290531656.db2.gz OTNPTFFCRBKHBL-ZWNOBZJWSA-N 1 0 298.364 1.757 20 5 CDBDRO COc1ccc(NC(=O)N(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000562761266 293192714 /nfs/dbraw/zinc/19/27/14/293192714.db2.gz JDNFOCGCLLCJNF-UHFFFAOYSA-N 1 0 282.300 1.416 20 5 CDBDRO CNc1ccc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000563108943 293276879 /nfs/dbraw/zinc/27/68/79/293276879.db2.gz RPJPYEGRQXGNSZ-NXEZZACHSA-N 1 0 292.339 1.446 20 5 CDBDRO CCC[C@H](O)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000563142193 293287921 /nfs/dbraw/zinc/28/79/21/293287921.db2.gz OLFZARJGRGISLL-QWHCGFSZSA-N 1 0 298.339 1.085 20 5 CDBDRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000184824424 295149052 /nfs/dbraw/zinc/14/90/52/295149052.db2.gz VKGHUNLVZFXMJV-CABZTGNLSA-N 1 0 295.314 1.868 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000423599224 295363371 /nfs/dbraw/zinc/36/33/71/295363371.db2.gz WZZZVUYTWXOQPL-IUCAKERBSA-N 1 0 278.312 1.177 20 5 CDBDRO C[C@@H]1C[N@H+](C)C[C@@H]1c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351139290 316239824 /nfs/dbraw/zinc/23/98/24/316239824.db2.gz ACINQCNGPASGRM-SFYZADRCSA-N 1 0 278.268 1.903 20 5 CDBDRO C[C@@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000381465065 323628069 /nfs/dbraw/zinc/62/80/69/323628069.db2.gz JUTZPJXLMWVITB-FGRQDEOASA-N 1 0 263.297 1.460 20 5 CDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000382450554 323641540 /nfs/dbraw/zinc/64/15/40/323641540.db2.gz DYDBDFBEUISSQY-GZMMTYOYSA-N 1 0 281.287 1.591 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000385817864 323721777 /nfs/dbraw/zinc/72/17/77/323721777.db2.gz WNNOINZGIRVKKO-GGCNOCFKSA-N 1 0 289.335 1.865 20 5 CDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000389739568 323809385 /nfs/dbraw/zinc/80/93/85/323809385.db2.gz SFCJLBCFVKDDNZ-GFCCVEGCSA-N 1 0 295.314 1.852 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000579712937 324261743 /nfs/dbraw/zinc/26/17/43/324261743.db2.gz PLZVKJGHXHPHBF-CQSZACIVSA-N 1 0 290.323 1.003 20 5 CDBDRO Cc1[nH]c(=O)cc(O[C@@H]2CCC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC001228686609 1160473214 /nfs/dbraw/zinc/47/32/14/1160473214.db2.gz PBIJPOJFXCLFDB-SNVBAGLBSA-N 1 0 281.312 1.867 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H](CO)c2cccc(F)c2)C1 ZINC001168998651 1161996671 /nfs/dbraw/zinc/99/66/71/1161996671.db2.gz PKXAIWPDCHPHQW-LEWSCRJBSA-N 1 0 282.315 1.894 20 5 CDBDRO CC(C)[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000055899742 519644906 /nfs/dbraw/zinc/64/49/06/519644906.db2.gz OJYWPWQPRUMCHQ-UHFFFAOYSA-N 1 0 295.339 1.559 20 5 CDBDRO CC(C)[C@@]1(CO)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000368067825 519808823 /nfs/dbraw/zinc/80/88/23/519808823.db2.gz BGJRMAJAVXZEFS-ZDUSSCGKSA-N 1 0 282.344 1.132 20 5 CDBDRO CC[NH2+]CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000049900682 519924083 /nfs/dbraw/zinc/92/40/83/519924083.db2.gz ZFXGMJKBGBVVRW-UHFFFAOYSA-N 1 0 287.341 1.020 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000161418103 520685163 /nfs/dbraw/zinc/68/51/63/520685163.db2.gz BYIRCPIBXCGBMW-UHFFFAOYSA-N 1 0 294.355 1.708 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000068554539 522039991 /nfs/dbraw/zinc/03/99/91/522039991.db2.gz BUXZVSACGQOOHY-CQSZACIVSA-N 1 0 293.367 2.000 20 5 CDBDRO CO[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000363675371 523599005 /nfs/dbraw/zinc/59/90/05/523599005.db2.gz OESZYUVZYSVEPA-LLVKDONJSA-N 1 0 268.317 1.292 20 5 CDBDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000049948311 523985266 /nfs/dbraw/zinc/98/52/66/523985266.db2.gz YGYWLLCGKURVPT-WDEREUQCSA-N 1 0 279.340 1.988 20 5 CDBDRO CNC(=O)CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000068817866 524064774 /nfs/dbraw/zinc/06/47/74/524064774.db2.gz KPCSDYXFIVFTJM-UHFFFAOYSA-N 1 0 265.313 1.253 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C[NH3+] ZINC000163526027 524487628 /nfs/dbraw/zinc/48/76/28/524487628.db2.gz PSULRNUGEOLMKM-BDAKNGLRSA-N 1 0 283.353 1.713 20 5 CDBDRO C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@H]1CCC[NH2+]C1 ZINC000226779509 525730022 /nfs/dbraw/zinc/73/00/22/525730022.db2.gz XRVSFJPPLBQECU-SFYZADRCSA-N 1 0 256.331 1.851 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)cc1 ZINC000188812678 527351707 /nfs/dbraw/zinc/35/17/07/527351707.db2.gz SMRJMTYUKCDITA-YPMHNXCESA-N 1 0 250.298 1.845 20 5 CDBDRO Cc1nccn1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000049330346 527431624 /nfs/dbraw/zinc/43/16/24/527431624.db2.gz RORPPOCQKQECCF-UHFFFAOYSA-N 1 0 274.324 1.932 20 5 CDBDRO COCCC[N@H+](C)CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000178237875 536512095 /nfs/dbraw/zinc/51/20/95/536512095.db2.gz YTJDTAHCHSFQEM-UHFFFAOYSA-N 1 0 282.344 1.678 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417935288 528406713 /nfs/dbraw/zinc/40/67/13/528406713.db2.gz GQGYEAYNWFMJIV-LLVKDONJSA-N 1 0 294.355 1.435 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]([NH3+])C(C)C)c1 ZINC000422848873 535426879 /nfs/dbraw/zinc/42/68/79/535426879.db2.gz KTMCYKRAPBNMRT-GFCCVEGCSA-N 1 0 295.339 1.707 20 5 CDBDRO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000263897596 535959654 /nfs/dbraw/zinc/95/96/54/535959654.db2.gz BHGGCKKHJKYKSQ-SECBINFHSA-N 1 0 267.285 1.354 20 5 CDBDRO CO[C@H](C[NH3+])CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000262827910 536563091 /nfs/dbraw/zinc/56/30/91/536563091.db2.gz HLYDARRKOCFVMA-LBPRGKRZSA-N 1 0 295.339 1.310 20 5 CDBDRO CCOC1CC([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000286709939 538435486 /nfs/dbraw/zinc/43/54/86/538435486.db2.gz FMTKBRRIYIYCBE-UHFFFAOYSA-N 1 0 295.339 1.256 20 5 CDBDRO C[NH+](C)CC1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000738077698 574579262 /nfs/dbraw/zinc/57/92/62/574579262.db2.gz WZYTUZULYPNEIO-UHFFFAOYSA-N 1 0 267.333 1.022 20 5 CDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000742075309 576580752 /nfs/dbraw/zinc/58/07/52/576580752.db2.gz UXJLOUXEEMZEKX-CQSZACIVSA-N 1 0 293.367 1.840 20 5 CDBDRO CC[N@@H+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000749694341 576958284 /nfs/dbraw/zinc/95/82/84/576958284.db2.gz VYDGFMHPHFPFGG-SWLSCSKDSA-N 1 0 293.367 1.654 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@@]2(C)CCOC2)c1[N+](=O)[O-] ZINC000893240704 617483232 /nfs/dbraw/zinc/48/32/32/617483232.db2.gz GZGXXGLDUCECMW-ZDUSSCGKSA-N 1 0 282.296 1.578 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000892286327 617695022 /nfs/dbraw/zinc/69/50/22/617695022.db2.gz IXMDAUVAMUFUDH-NSHDSACASA-N 1 0 292.339 1.673 20 5 CDBDRO C[C@H](CNc1c([N+](=O)[O-])cnn1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000891829645 617624693 /nfs/dbraw/zinc/62/46/93/617624693.db2.gz HCQKNIAOFIKZBL-GHMZBOCLSA-N 1 0 281.360 1.861 20 5 CDBDRO Cc1cnc(N2CC[C@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000893941782 618205519 /nfs/dbraw/zinc/20/55/19/618205519.db2.gz WJLWHXJKOVEHGG-CMPLNLGQSA-N 1 0 262.313 1.439 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000843322176 618706248 /nfs/dbraw/zinc/70/62/48/618706248.db2.gz TVENXOKKHCSDIY-SECBINFHSA-N 1 0 278.312 1.049 20 5 CDBDRO COc1c(O)ccc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)c1[N+](=O)[O-] ZINC000894398166 618855742 /nfs/dbraw/zinc/85/57/42/618855742.db2.gz QLZKIBYTSSUZAE-PHIMTYICSA-N 1 0 296.323 1.918 20 5 CDBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H](O)CC2)c1[N+](=O)[O-] ZINC000894652002 619005549 /nfs/dbraw/zinc/00/55/49/619005549.db2.gz WMXSGYAEDBAUBJ-LLVKDONJSA-N 1 0 296.323 1.656 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1COCO1 ZINC000894878753 619116483 /nfs/dbraw/zinc/11/64/83/619116483.db2.gz LVQGQLKVFVGJQT-GJIAFCOMSA-N 1 0 278.308 1.961 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1COCO1 ZINC000894878759 619116499 /nfs/dbraw/zinc/11/64/99/619116499.db2.gz LVQGQLKVFVGJQT-RKXVYHDYSA-N 1 0 278.308 1.961 20 5 CDBDRO CCC[C@H]1CN(c2ncc([N+](=O)[O-])cc2C)CC[NH2+]1 ZINC000895056556 619240959 /nfs/dbraw/zinc/24/09/59/619240959.db2.gz ADELEOXFPVCFSR-NSHDSACASA-N 1 0 264.329 1.877 20 5 CDBDRO CCC[C@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)CC[NH2+]1 ZINC000895058171 619242732 /nfs/dbraw/zinc/24/27/32/619242732.db2.gz ITKBMTJYTNDKRB-NSHDSACASA-N 1 0 297.330 1.805 20 5 CDBDRO Cc1ccc([C@H](C[NH2+]CC[N+](=O)[O-])N2CCOCC2)cc1 ZINC000899869787 622495694 /nfs/dbraw/zinc/49/56/94/622495694.db2.gz ACOLGXQQUVBSBE-HNNXBMFYSA-N 1 0 293.367 1.235 20 5 CDBDRO Cc1nn(CN2CC[N@@H+](C)C[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000902544513 624939450 /nfs/dbraw/zinc/93/94/50/624939450.db2.gz XZVQQVXKIKICCL-CYBMUJFWSA-N 1 0 295.387 1.719 20 5 CDBDRO COc1ccccc1N1CC[C@H](C[NH2+]CC[N+](=O)[O-])C1 ZINC000905078671 626392907 /nfs/dbraw/zinc/39/29/07/626392907.db2.gz FRMNHTBGWJVNQN-GFCCVEGCSA-N 1 0 279.340 1.388 20 5 CDBDRO COc1ccc(CC[C@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000905064958 626612784 /nfs/dbraw/zinc/61/27/84/626612784.db2.gz GKFCANZBECGOPX-NSHDSACASA-N 1 0 252.314 1.883 20 5 CDBDRO C[C@H]1C[C@@H](NCC[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000905162427 626673491 /nfs/dbraw/zinc/67/34/91/626673491.db2.gz ZLWUAUDBVCJMFP-GXTWGEPZSA-N 1 0 263.341 1.516 20 5 CDBDRO C[N@@H+]1CC[C@@H](Cn2nnc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000912458998 630009901 /nfs/dbraw/zinc/00/99/01/630009901.db2.gz NIOSMMMWBPSJRH-SNVBAGLBSA-N 1 0 288.311 1.200 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC001170298392 1162328512 /nfs/dbraw/zinc/32/85/12/1162328512.db2.gz KUIFEVOPWIVOQQ-ZYHUDNBSSA-N 1 0 280.324 1.913 20 5 CDBDRO CNC(=O)CN(C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170327205 1162337381 /nfs/dbraw/zinc/33/73/81/1162337381.db2.gz FRCRNCKTCTTZNJ-SNVBAGLBSA-N 1 0 295.339 1.212 20 5 CDBDRO COc1ccc(C[C@H](C)N2CC(C)([NH3+])C2)c([N+](=O)[O-])c1 ZINC001170328791 1162338239 /nfs/dbraw/zinc/33/82/39/1162338239.db2.gz UZGJTRYYHYSYEV-JTQLQIEISA-N 1 0 279.340 1.567 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]CCOC(C)=O)c([N+](=O)[O-])c1 ZINC001170329299 1162338422 /nfs/dbraw/zinc/33/84/22/1162338422.db2.gz ZJXYDTJXKGMPAH-JTQLQIEISA-N 1 0 296.323 1.687 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCCN1c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001157744772 1162385656 /nfs/dbraw/zinc/38/56/56/1162385656.db2.gz XXSSNRZYAUYYKX-CBAPKCEASA-N 1 0 270.720 1.959 20 5 CDBDRO O=C(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)NCc1ccccc1 ZINC001168967935 1161996302 /nfs/dbraw/zinc/99/63/02/1161996302.db2.gz UVCMRXXILRBHFG-KBPBESRZSA-N 1 0 291.351 1.338 20 5 CDBDRO C[NH+]1CC2(CN(c3cnc4ccc([N+](=O)[O-])cc4n3)C2)C1 ZINC001158864594 1163723073 /nfs/dbraw/zinc/72/30/73/1163723073.db2.gz UFHCPZJZOMNNAT-UHFFFAOYSA-N 1 0 285.307 1.290 20 5 CDBDRO O=[N+]([O-])c1c(N[C@@H]2C[NH2+]C[C@H]2CO)ccc2cnccc21 ZINC001170780589 1164118251 /nfs/dbraw/zinc/11/82/51/1164118251.db2.gz HJHLWEYMIRDIBC-GXFFZTMASA-N 1 0 288.307 1.135 20 5 CDBDRO C[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000053712350 1166878244 /nfs/dbraw/zinc/87/82/44/1166878244.db2.gz UGNDEZVWQFKNPH-DTORHVGOSA-N 1 0 253.277 1.921 20 5 CDBDRO Cc1cnc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001155617085 1167259320 /nfs/dbraw/zinc/25/93/20/1167259320.db2.gz GSJDADIIKWBJMB-RISCZKNCSA-N 1 0 292.339 1.621 20 5 CDBDRO C[C@@H](C(=O)N1CCc2c1ccc([N+](=O)[O-])c2F)[C@H](C)[NH3+] ZINC001576087440 1171328851 /nfs/dbraw/zinc/32/88/51/1171328851.db2.gz AMVUWIYZHSKABO-SFYZADRCSA-N 1 0 281.287 1.606 20 5 CDBDRO C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001576153454 1171342253 /nfs/dbraw/zinc/34/22/53/1171342253.db2.gz UJLCCINHAPGYNO-GHMZBOCLSA-N 1 0 294.355 1.687 20 5 CDBDRO C[C@@H](NC(=O)N1C[C@@H]([NH3+])C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001576607928 1171466888 /nfs/dbraw/zinc/46/68/88/1171466888.db2.gz LMFIEOMATWYRAB-FOGDFJRCSA-N 1 0 292.339 1.787 20 5 CDBDRO Nc1c(Cl)cc(C(=O)N2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001580431940 1172432430 /nfs/dbraw/zinc/43/24/30/1172432430.db2.gz ZVGKJKCXAAHJRC-MRVPVSSYSA-N 1 0 298.730 1.394 20 5 CDBDRO Cc1c(C(=O)NCCC(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC000405879965 1186580396 /nfs/dbraw/zinc/58/03/96/1186580396.db2.gz JPSLEKHRBOZUMI-UHFFFAOYSA-N 1 0 265.313 1.760 20 5 CDBDRO Nc1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)nc1[N+](=O)[O-] ZINC000312471157 1186699462 /nfs/dbraw/zinc/69/94/62/1186699462.db2.gz GTVBQISCARTNEW-MNOVXSKESA-N 1 0 277.328 1.611 20 5 CDBDRO Cc1nc(N2CCC[C@H]([NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000295509392 721898196 /nfs/dbraw/zinc/89/81/96/721898196.db2.gz LJSJLTKJUBFFKX-JTQLQIEISA-N 1 0 265.317 1.224 20 5 CDBDRO COC(=O)[C@@H](Nc1nc(C)cc(C)c1[N+](=O)[O-])C(C)(C)[NH3+] ZINC001155369471 1167143815 /nfs/dbraw/zinc/14/38/15/1167143815.db2.gz VJYPNSIXKPNECJ-SNVBAGLBSA-N 1 0 296.327 1.297 20 5 CDBDRO COc1cc(N2CC([NH+](C)C)C2)c([N+](=O)[O-])cc1C ZINC000853460716 833060192 /nfs/dbraw/zinc/06/01/92/833060192.db2.gz PDOOPFKBFKTLMZ-UHFFFAOYSA-N 1 0 265.313 1.662 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000825275339 833084764 /nfs/dbraw/zinc/08/47/64/833084764.db2.gz HZIMBZKRBILEOZ-NSHDSACASA-N 1 0 278.312 1.047 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000852920538 833134152 /nfs/dbraw/zinc/13/41/52/833134152.db2.gz VDZGMZUXZUENCX-ZETCQYMHSA-N 1 0 296.283 1.149 20 5 CDBDRO C[C@@H]1CC[C@H](CO)[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886318154 833216487 /nfs/dbraw/zinc/21/64/87/833216487.db2.gz LAQWNQGCUBXGSE-MWLCHTKSSA-N 1 0 251.286 1.335 20 5 CDBDRO C[C@H](NCCC[NH2+]C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817984092 833294282 /nfs/dbraw/zinc/29/42/82/833294282.db2.gz MUUHHGJTBATNGV-JTQLQIEISA-N 1 0 278.356 1.970 20 5 CDBDRO CC[C@@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000075626835 833325498 /nfs/dbraw/zinc/32/54/98/833325498.db2.gz IIURJOYLXVTKEK-CQSZACIVSA-N 1 0 279.340 1.488 20 5 CDBDRO C[C@H](CN)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841061283 828847692 /nfs/dbraw/zinc/84/76/92/828847692.db2.gz WTCWELIOTCSJOH-LLVKDONJSA-N 1 0 278.356 1.500 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCN2CC[C@@H](O)C2)c1 ZINC000858297804 828925872 /nfs/dbraw/zinc/92/58/72/828925872.db2.gz ITBXFNVBDYAKFT-GFCCVEGCSA-N 1 0 299.758 1.404 20 5 CDBDRO NC(=O)c1ccc(N[C@H]2CCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000089105928 829028771 /nfs/dbraw/zinc/02/87/71/829028771.db2.gz SOLDCXHYGUEANS-UWVGGRQHSA-N 1 0 278.312 1.233 20 5 CDBDRO CC1([NH+]2CCC2)CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000882963022 829029389 /nfs/dbraw/zinc/02/93/89/829029389.db2.gz KZVVPXRPRFEAIN-UHFFFAOYSA-N 1 0 291.355 1.637 20 5 CDBDRO CC[N@@H+]1CCCN(Cc2cccnc2[N+](=O)[O-])[C@@H](C)C1 ZINC000886245260 833353886 /nfs/dbraw/zinc/35/38/86/833353886.db2.gz PMUQUSKDHLSCLZ-LBPRGKRZSA-N 1 0 278.356 1.906 20 5 CDBDRO CN(C(=[NH2+])NCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000849007283 829091461 /nfs/dbraw/zinc/09/14/61/829091461.db2.gz HWXGNAHIPFDAEA-UHFFFAOYSA-N 1 0 278.312 1.592 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000111303528 829202487 /nfs/dbraw/zinc/20/24/87/829202487.db2.gz BTYVTWOEGUUKJS-MRVPVSSYSA-N 1 0 255.249 1.201 20 5 CDBDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231851893 833401502 /nfs/dbraw/zinc/40/15/02/833401502.db2.gz YHOZZXFWMQTWDA-LLVKDONJSA-N 1 0 279.340 1.860 20 5 CDBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591494 833405884 /nfs/dbraw/zinc/40/58/84/833405884.db2.gz QYHWMUIILAFTMU-KGLIPLIRSA-N 1 0 294.351 1.864 20 5 CDBDRO COC(=O)CC(C)(C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886075025 829457311 /nfs/dbraw/zinc/45/73/11/829457311.db2.gz BENHMZWPCXMDJZ-UHFFFAOYSA-N 1 0 267.285 1.421 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886568659 829471797 /nfs/dbraw/zinc/47/17/97/829471797.db2.gz QMSSHQSQDGADEI-PHIMTYICSA-N 1 0 295.364 1.051 20 5 CDBDRO COc1ccc(CC(=O)N2CC[C@@](C)([NH3+])C2)cc1[N+](=O)[O-] ZINC000868078918 829522837 /nfs/dbraw/zinc/52/28/37/829522837.db2.gz QBYRAGLIZPKERZ-CQSZACIVSA-N 1 0 293.323 1.096 20 5 CDBDRO C[C@@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000070145815 829681533 /nfs/dbraw/zinc/68/15/33/829681533.db2.gz BMXRVXHTNZGMQX-ZHVYSYIMSA-N 1 0 289.335 1.804 20 5 CDBDRO COCCN(C)C(=[NH2+])NCc1ccccc1[N+](=O)[O-] ZINC000871603468 829739971 /nfs/dbraw/zinc/73/99/71/829739971.db2.gz UTRHNDCFCXRKBE-UHFFFAOYSA-N 1 0 266.301 1.197 20 5 CDBDRO CCc1ccc(C(=O)N(C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000877101450 829842038 /nfs/dbraw/zinc/84/20/38/829842038.db2.gz KZRVZJSYWLIAAM-VIFPVBQESA-N 1 0 265.313 1.576 20 5 CDBDRO C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000042168296 829854064 /nfs/dbraw/zinc/85/40/64/829854064.db2.gz IZFGJJCCTOZAMD-PWSUYJOCSA-N 1 0 277.324 1.914 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2C[NH2+]CCOC2)c1 ZINC000925581223 829979981 /nfs/dbraw/zinc/97/99/81/829979981.db2.gz QSNHISPLXRUZPX-JTQLQIEISA-N 1 0 285.731 1.326 20 5 CDBDRO C[N@H+](CCCCCO)Cc1cccnc1[N+](=O)[O-] ZINC000886179377 830024622 /nfs/dbraw/zinc/02/46/22/830024622.db2.gz UFZKVJFWNYMVKF-UHFFFAOYSA-N 1 0 253.302 1.584 20 5 CDBDRO C[C@@H](CC(N)=O)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000161579731 830111424 /nfs/dbraw/zinc/11/14/24/830111424.db2.gz GRMXITYBXZALMM-ZETCQYMHSA-N 1 0 271.704 1.602 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2OCCCO2)c1 ZINC000716369368 830226721 /nfs/dbraw/zinc/22/67/21/830226721.db2.gz JFFJYAJFZQBUIY-UHFFFAOYSA-N 1 0 252.270 1.447 20 5 CDBDRO C[C@@H](C[NH3+])c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000823069881 830227901 /nfs/dbraw/zinc/22/79/01/830227901.db2.gz WCBYBSOQEKYAJD-YFKPBYRVSA-N 1 0 254.271 1.769 20 5 CDBDRO CSC(C)(C)CC[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000877093702 830299508 /nfs/dbraw/zinc/29/95/08/830299508.db2.gz CFGCESONGIXMIX-UHFFFAOYSA-N 1 0 272.374 1.913 20 5 CDBDRO [NH3+][C@H]1CC[C@@H](C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000870894459 830344414 /nfs/dbraw/zinc/34/44/14/830344414.db2.gz UPKPWFUAIGDISC-BETUJISGSA-N 1 0 291.351 1.771 20 5 CDBDRO CN(CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000158642353 830344661 /nfs/dbraw/zinc/34/46/61/830344661.db2.gz OYMMSRTWPIMTJL-CQSZACIVSA-N 1 0 279.340 1.312 20 5 CDBDRO [NH3+][C@@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000843372258 830361096 /nfs/dbraw/zinc/36/10/96/830361096.db2.gz RAOOGVGPUQAGFB-LBPRGKRZSA-N 1 0 275.308 1.611 20 5 CDBDRO C[NH+](C)C1(CNC(=O)CCC(C)(C)[N+](=O)[O-])CCCC1 ZINC000822546462 830430932 /nfs/dbraw/zinc/43/09/32/830430932.db2.gz ULWOGCGGHLENKK-UHFFFAOYSA-N 1 0 285.388 1.813 20 5 CDBDRO CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)CO ZINC000127658413 830621992 /nfs/dbraw/zinc/62/19/92/830621992.db2.gz SMLLFZOBALDLJL-UHFFFAOYSA-N 1 0 283.284 1.706 20 5 CDBDRO CO[C@@H](C)[C@@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819324207 832164152 /nfs/dbraw/zinc/16/41/52/832164152.db2.gz VXYKMGJEUAXMJA-GBIKHYSHSA-N 1 0 268.313 1.641 20 5 CDBDRO COc1ccc([C@H]([NH2+]CC[N+](=O)[O-])C2CC2)cn1 ZINC000931337505 832253676 /nfs/dbraw/zinc/25/36/76/832253676.db2.gz HFBLFQKCLPRNOT-GFCCVEGCSA-N 1 0 251.286 1.408 20 5 CDBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886300476 833803500 /nfs/dbraw/zinc/80/35/00/833803500.db2.gz ITQFZGZSCZTSIJ-KLBPJQLPSA-N 1 0 265.313 1.891 20 5 CDBDRO CC[NH+]1CCC(N(C)C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000823019761 832309783 /nfs/dbraw/zinc/30/97/83/832309783.db2.gz AAIATFQGMDMKQK-UHFFFAOYSA-N 1 0 285.388 1.765 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH3+])c1C ZINC000884038893 832360550 /nfs/dbraw/zinc/36/05/50/832360550.db2.gz XEYRUDHSPMUJND-UHFFFAOYSA-N 1 0 265.313 1.679 20 5 CDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886144812 832423762 /nfs/dbraw/zinc/42/37/62/832423762.db2.gz HWVRXRIZEPRNIL-NWDGAFQWSA-N 1 0 281.312 1.273 20 5 CDBDRO Cn1c(C(=O)OC[C@@H]2CC[N@@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000845736524 833850369 /nfs/dbraw/zinc/85/03/69/833850369.db2.gz AWXMXDOQTOXZTK-JTQLQIEISA-N 1 0 295.339 1.963 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3F)C[C@@H]21 ZINC000839412209 833851988 /nfs/dbraw/zinc/85/19/88/833851988.db2.gz PDNIZWBYDMLHCC-RNCFNFMXSA-N 1 0 293.298 1.510 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000818001248 832466196 /nfs/dbraw/zinc/46/61/96/832466196.db2.gz JXLBYOYVZQNEDX-LDYMZIIASA-N 1 0 281.287 1.462 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@@H](O)C2)cc1Cl ZINC000825256784 833864006 /nfs/dbraw/zinc/86/40/06/833864006.db2.gz GYQULQHLFZIMAY-DTORHVGOSA-N 1 0 256.689 1.861 20 5 CDBDRO C[N@H+](CCO)CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000884823975 832478168 /nfs/dbraw/zinc/47/81/68/832478168.db2.gz MLOFSVDJTGKYQS-UHFFFAOYSA-N 1 0 290.323 1.479 20 5 CDBDRO CC[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000035114962 833877345 /nfs/dbraw/zinc/87/73/45/833877345.db2.gz BUMZDYHGMFNPGI-JTQLQIEISA-N 1 0 254.286 1.464 20 5 CDBDRO O=[N+]([O-])c1cc(CO)c(NCC[NH+]2CCCC2)cc1F ZINC000865414014 833885882 /nfs/dbraw/zinc/88/58/82/833885882.db2.gz GFWGHFREKXBNMQ-UHFFFAOYSA-N 1 0 283.303 1.734 20 5 CDBDRO CCc1ccc(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000870965197 832812420 /nfs/dbraw/zinc/81/24/20/832812420.db2.gz KKQNWVCFUCQONW-WVSHTKLVSA-N 1 0 277.324 1.624 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000261904774 832850278 /nfs/dbraw/zinc/85/02/78/832850278.db2.gz XBRBNUGTMPVJGG-UWVGGRQHSA-N 1 0 292.339 1.295 20 5 CDBDRO CC[NH+](CC)CC(C)(C)COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842366454 832873741 /nfs/dbraw/zinc/87/37/41/832873741.db2.gz LBUGVXYAKHTCDY-GHMZBOCLSA-N 1 0 272.345 1.563 20 5 CDBDRO Cc1cc(Cc2noc(CCC[NH3+])n2)ccc1[N+](=O)[O-] ZINC000843191793 832887328 /nfs/dbraw/zinc/88/73/28/832887328.db2.gz NDJBJBFMBCKWKI-UHFFFAOYSA-N 1 0 276.296 1.768 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@]12C[C@H]1COC2 ZINC000886201494 833545847 /nfs/dbraw/zinc/54/58/47/833545847.db2.gz HAEQSAHWPFBRJP-FLBZCCBISA-N 1 0 260.293 1.987 20 5 CDBDRO CC[NH2+][C@@H](C)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000876905407 833620648 /nfs/dbraw/zinc/62/06/48/833620648.db2.gz TVRBBBNHXSHULU-JTQLQIEISA-N 1 0 277.324 1.790 20 5 CDBDRO C[N@H+](CCO)CCNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000884826018 833776036 /nfs/dbraw/zinc/77/60/36/833776036.db2.gz CZKAKTSHRAQFHY-UHFFFAOYSA-N 1 0 290.323 1.479 20 5 CDBDRO C[C@H](Cn1ccnc1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818959073 834012753 /nfs/dbraw/zinc/01/27/53/834012753.db2.gz BYUQVKQEWIUAAN-BXUZGUMPSA-N 1 0 290.323 1.503 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000825221460 834048995 /nfs/dbraw/zinc/04/89/95/834048995.db2.gz NRGIVINHWWZLKF-TVQRCGJNSA-N 1 0 290.323 1.001 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000844642300 834056572 /nfs/dbraw/zinc/05/65/72/834056572.db2.gz IVDCDRYBNMLXPB-IJLUTSLNSA-N 1 0 285.388 1.761 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](O)C1 ZINC000866368792 834307645 /nfs/dbraw/zinc/30/76/45/834307645.db2.gz HBKBDQIFSXREEM-KPXOXKRLSA-N 1 0 268.288 1.778 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841857019 834606511 /nfs/dbraw/zinc/60/65/11/834606511.db2.gz VYKGEWGFCCRMIE-SECBINFHSA-N 1 0 298.730 1.491 20 5 CDBDRO COCC[NH2+]C1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886839423 834807884 /nfs/dbraw/zinc/80/78/84/834807884.db2.gz DNNCHBLDCCGPCC-UHFFFAOYSA-N 1 0 294.355 1.190 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000882487863 834853223 /nfs/dbraw/zinc/85/32/23/834853223.db2.gz KMWOPQNUAZOMJX-NSHDSACASA-N 1 0 277.324 1.727 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2cscn2)cc1 ZINC000819163068 834866672 /nfs/dbraw/zinc/86/66/72/834866672.db2.gz FTRDSQOLDAQTDC-CYBMUJFWSA-N 1 0 293.348 1.917 20 5 CDBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839680872 834877659 /nfs/dbraw/zinc/87/76/59/834877659.db2.gz OQEKWXOQVLLPIB-YNEHKIRRSA-N 1 0 297.399 1.668 20 5 CDBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839568141 834904157 /nfs/dbraw/zinc/90/41/57/834904157.db2.gz NQRZXNHAALHCGA-YVECIDJPSA-N 1 0 297.399 1.524 20 5 CDBDRO C[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]1CCCCC1 ZINC000822663219 834958876 /nfs/dbraw/zinc/95/88/76/834958876.db2.gz OJUSQAMSHYKJTJ-LBPRGKRZSA-N 1 0 285.388 1.813 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc([C@H]3C[C@]34CC[NH2+]C4)n2)o1 ZINC000823269474 835090012 /nfs/dbraw/zinc/09/00/12/835090012.db2.gz HFFZJMWSCBPWCN-KRTXAFLBSA-N 1 0 276.252 1.705 20 5 CDBDRO [NH3+][C@@H]1C[C@@H]1c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000822648083 835122209 /nfs/dbraw/zinc/12/22/09/835122209.db2.gz YZEHHFOBSFRSQI-DTWKUNHWSA-N 1 0 260.253 1.383 20 5 CDBDRO C[NH2+]C1(CNc2nc(C)ccc2[N+](=O)[O-])CCC1 ZINC000856762185 835165102 /nfs/dbraw/zinc/16/51/02/835165102.db2.gz CLDVKPIXUABPJR-UHFFFAOYSA-N 1 0 250.302 1.852 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(NC[C@H]2CC[NH2+]C2)c1 ZINC000133838547 835223376 /nfs/dbraw/zinc/22/33/76/835223376.db2.gz QJMYPSBGCHHJJR-VIFPVBQESA-N 1 0 251.286 1.625 20 5 CDBDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886171272 835403702 /nfs/dbraw/zinc/40/37/02/835403702.db2.gz CJRAYNDBSQTJEJ-KOLCDFICSA-N 1 0 251.286 1.504 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2C=C[C@H](CO)C2)cc1 ZINC000843080424 835590238 /nfs/dbraw/zinc/59/02/38/835590238.db2.gz VMWQWQYQDBABTH-SUHUHFCYSA-N 1 0 278.308 1.155 20 5 CDBDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000848108560 835596670 /nfs/dbraw/zinc/59/66/70/835596670.db2.gz PEWVKZGPBDSTMV-ZWNOBZJWSA-N 1 0 292.339 1.708 20 5 CDBDRO CCc1cc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)on1 ZINC000819095691 835619307 /nfs/dbraw/zinc/61/93/07/835619307.db2.gz ZFMUEDROTBLJNJ-CQSZACIVSA-N 1 0 291.307 1.968 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[NH2+]C2)c1C ZINC000884028286 835636072 /nfs/dbraw/zinc/63/60/72/835636072.db2.gz CCGCMXMWVDMTPT-NSHDSACASA-N 1 0 277.324 1.646 20 5 CDBDRO C[C@@H](CNc1nc2ccccn2c1[N+](=O)[O-])[NH+](C)C ZINC000829093244 835638764 /nfs/dbraw/zinc/63/87/64/835638764.db2.gz WRMAZPJAQSXGTI-VIFPVBQESA-N 1 0 263.301 1.605 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC[C@@H](O)C1 ZINC001173223360 912308532 /nfs/dbraw/zinc/30/85/32/912308532.db2.gz ZMHFIDZPOKGFJE-FZMZJTMJSA-N 1 0 280.324 1.219 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1[C@H](O)CCC[C@@H]1O ZINC001173229267 912320246 /nfs/dbraw/zinc/32/02/46/912320246.db2.gz SDGCCCCVRSMYCU-RABLLNBGSA-N 1 0 294.351 1.390 20 5 CDBDRO CCNC(=O)C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173212850 912335860 /nfs/dbraw/zinc/33/58/60/912335860.db2.gz CBWCWZQVEMNZJI-JTQLQIEISA-N 1 0 265.313 1.252 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH2+][C@@H](C)C1 ZINC000088059891 912596537 /nfs/dbraw/zinc/59/65/37/912596537.db2.gz HKANGDYXDBYRLR-JTQLQIEISA-N 1 0 265.313 1.397 20 5 CDBDRO COc1ccc(C[NH2+]C[C@](C)(O)C(F)F)cc1[N+](=O)[O-] ZINC000698678642 912694555 /nfs/dbraw/zinc/69/45/55/912694555.db2.gz UPTJBIHTQFLADL-LBPRGKRZSA-N 1 0 290.266 1.709 20 5 CDBDRO C[NH2+]Cc1c(C)nn(-c2cccc([N+](=O)[O-])n2)c1C ZINC001167098569 894491653 /nfs/dbraw/zinc/49/16/53/894491653.db2.gz PSGKNGSYMSKOEA-UHFFFAOYSA-N 1 0 261.285 1.512 20 5 CDBDRO CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001021743868 895734046 /nfs/dbraw/zinc/73/40/46/895734046.db2.gz SCSGANUPHRUQAI-TXEJJXNPSA-N 1 0 277.324 1.742 20 5 CDBDRO COc1ccc(-n2nc(C[NH3+])c3ccccc32)nc1[N+](=O)[O-] ZINC001167695180 898475082 /nfs/dbraw/zinc/47/50/82/898475082.db2.gz FMHXANAFMIZPPJ-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001029305137 905383772 /nfs/dbraw/zinc/38/37/72/905383772.db2.gz TTXMBAQANDJFFB-XJFOESAGSA-N 1 0 293.367 1.127 20 5 CDBDRO C[NH+](C)CCC(=O)NCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001094089590 910322321 /nfs/dbraw/zinc/32/23/21/910322321.db2.gz AREUGRMPJLSLLD-UHFFFAOYSA-N 1 0 298.318 1.214 20 5 CDBDRO C[N+](C)(C)CCO[C@@H]1CCN(c2ccnc(Cl)n2)C1 ZINC001224773194 910673359 /nfs/dbraw/zinc/67/33/59/910673359.db2.gz FKIKOGXACCNLAE-LLVKDONJSA-N 1 0 285.799 1.432 20 5 CDBDRO [NH3+]Cc1cnnn1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904745 912037265 /nfs/dbraw/zinc/03/72/65/912037265.db2.gz AFVUVOOUOHSAIH-GFCCVEGCSA-N 1 0 287.323 1.765 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CC(O)C1 ZINC001254538660 936406879 /nfs/dbraw/zinc/40/68/79/936406879.db2.gz YCZRRHLYNZWGGZ-ZBOXLXRLSA-N 1 0 264.325 1.886 20 5 CDBDRO O=C(CCC1CC1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001125019795 917885783 /nfs/dbraw/zinc/88/57/83/917885783.db2.gz NBGPDZJWQBDEML-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO CCOC(=O)c1ccc(NC2(CC)C[NH2+]C2)c([N+](=O)[O-])c1 ZINC001168582123 919284234 /nfs/dbraw/zinc/28/42/34/919284234.db2.gz IIWYEUCKGGUYMJ-UHFFFAOYSA-N 1 0 293.323 1.935 20 5 CDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1nccnc1[N+](=O)[O-] ZINC001168593222 919363559 /nfs/dbraw/zinc/36/35/59/919363559.db2.gz JJRVNBLSBGWWBY-UWVGGRQHSA-N 1 0 265.317 1.670 20 5 CDBDRO COc1ncc([N+](=O)[O-])c(N[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC001162392680 922476658 /nfs/dbraw/zinc/47/66/58/922476658.db2.gz RKHNBXXESLTMFV-YUMQZZPRSA-N 1 0 267.289 1.075 20 5 CDBDRO [NH3+]CCN(CCO)c1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001163831817 924286471 /nfs/dbraw/zinc/28/64/71/924286471.db2.gz IVTBGCHHYURTOY-UHFFFAOYSA-N 1 0 294.286 1.040 20 5 CDBDRO [NH3+][C@H]1CCN(c2ncc3cccc([N+](=O)[O-])c3n2)C1 ZINC001164281265 924744333 /nfs/dbraw/zinc/74/43/33/924744333.db2.gz WVWOOXGHVIYIIY-VIFPVBQESA-N 1 0 259.269 1.075 20 5 CDBDRO COc1cc(C)c([N+](=O)[O-])cc1N1CC[C@@H]([NH3+])C1 ZINC001164281692 924749625 /nfs/dbraw/zinc/74/96/25/924749625.db2.gz KMDZVDNWDYKQSS-SECBINFHSA-N 1 0 251.286 1.449 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1-n1cc2c(n1)CC[C@H]([NH3+])C2 ZINC001168813001 927466386 /nfs/dbraw/zinc/46/63/86/927466386.db2.gz UNFJBOGQORNTJJ-VIFPVBQESA-N 1 0 288.311 1.033 20 5 CDBDRO [NH3+]Cc1nnnn1-c1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC001168925116 927545985 /nfs/dbraw/zinc/54/59/85/927545985.db2.gz VWIQOTSZJMXYCS-ONEGZZNKSA-N 1 0 280.675 1.022 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C23CCC(O)(CC2)CC3)C1 ZINC001168976283 927563803 /nfs/dbraw/zinc/56/38/03/927563803.db2.gz CHMYFFSAURJXHO-MRFVTOPCSA-N 1 0 268.357 1.859 20 5 CDBDRO CC(=O)N1CCC(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168979208 927565143 /nfs/dbraw/zinc/56/51/43/927565143.db2.gz XEABDACXLYLOLA-ZIAGYGMSSA-N 1 0 283.372 1.280 20 5 CDBDRO CNC(=O)[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001168986181 927572340 /nfs/dbraw/zinc/57/23/40/927572340.db2.gz WWRKZIUSQOWPCL-OUAUKWLOSA-N 1 0 271.361 1.182 20 5 CDBDRO COc1ccc(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)nc1 ZINC001168984646 927573405 /nfs/dbraw/zinc/57/34/05/927573405.db2.gz PKPGIXJRLPZXSH-AAEUAGOBSA-N 1 0 279.340 1.668 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cnc3ccccn23)C1 ZINC001168962845 927584952 /nfs/dbraw/zinc/58/49/52/927584952.db2.gz NDQMTPULRLXODT-RYUDHWBXSA-N 1 0 274.324 1.869 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ncccc2F)C1 ZINC001168964762 927587768 /nfs/dbraw/zinc/58/77/68/927587768.db2.gz VYAGVOOSTCDXAT-UWVGGRQHSA-N 1 0 253.277 1.756 20 5 CDBDRO O=C(CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)N1CCCCC1 ZINC001168965977 927590073 /nfs/dbraw/zinc/59/00/73/927590073.db2.gz FINAKSPZAUTEAF-CHWSQXEVSA-N 1 0 283.372 1.424 20 5 CDBDRO O=C(CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)NCc1ccco1 ZINC001168968358 927591488 /nfs/dbraw/zinc/59/14/88/927591488.db2.gz XZGSXQKBDJUFDS-NWDGAFQWSA-N 1 0 295.339 1.321 20 5 CDBDRO COc1cccc([C@H](CO)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168972869 927597255 /nfs/dbraw/zinc/59/72/55/927597255.db2.gz BUOXWAWNFHXUEG-LNSITVRQSA-N 1 0 294.351 1.764 20 5 CDBDRO Cn1cc(C2([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cn1 ZINC001168975266 927598866 /nfs/dbraw/zinc/59/88/66/927598866.db2.gz VSRGXLAJNNMKNZ-ZYHUDNBSSA-N 1 0 264.329 1.444 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cnc(Cl)cn2)C1 ZINC001169001929 927605544 /nfs/dbraw/zinc/60/55/44/927605544.db2.gz IQHGSCNGOAGPDR-DTWKUNHWSA-N 1 0 270.720 1.665 20 5 CDBDRO CN1CCC[C@](C)([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169006767 927612463 /nfs/dbraw/zinc/61/24/63/927612463.db2.gz YVXWUZDVENAVCR-UPJWGTAASA-N 1 0 255.362 1.506 20 5 CDBDRO C[N@H+](CC1CCOCC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169010035 927613979 /nfs/dbraw/zinc/61/39/79/927613979.db2.gz AJYFIYPOKDNIHM-OLZOCXBDSA-N 1 0 256.346 1.790 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@](F)(CO)CC2)C1 ZINC001169010518 927616460 /nfs/dbraw/zinc/61/64/60/927616460.db2.gz CWOLODCJFKZKGL-AGIUHOORSA-N 1 0 274.336 1.618 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)C1 ZINC001169013990 927619169 /nfs/dbraw/zinc/61/91/69/927619169.db2.gz XLFQQNRUBFDGDV-DBIOUOCHSA-N 1 0 276.283 1.398 20 5 CDBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987737 927624259 /nfs/dbraw/zinc/62/42/59/927624259.db2.gz JYJBIXZOOTZBSQ-LOWDOPEQSA-N 1 0 284.356 1.753 20 5 CDBDRO CCC(=O)N1CCC(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168990948 927629137 /nfs/dbraw/zinc/62/91/37/927629137.db2.gz FTLJVSHGZGDKNI-UONOGXRCSA-N 1 0 297.399 1.670 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CC(N3CC[C@H](F)C3)C2)C1 ZINC001169036110 927644037 /nfs/dbraw/zinc/64/40/37/927644037.db2.gz MZWSXSKLYRVKQF-SRVKXCTJSA-N 1 0 271.336 1.160 20 5 CDBDRO C[N@H+](C[C@@H]1CCCCO1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035366 927644881 /nfs/dbraw/zinc/64/48/81/927644881.db2.gz KPSUNJGDKBAGPC-XQQFMLRXSA-N 1 0 256.346 1.933 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCc3nc(Cl)ncc3C2)C1 ZINC001169038448 927651683 /nfs/dbraw/zinc/65/16/83/927651683.db2.gz YWMYWSJRCYHORI-ONGXEEELSA-N 1 0 296.758 1.934 20 5 CDBDRO C[NH2+]CCc1c(C)nn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1C ZINC001169039878 927653343 /nfs/dbraw/zinc/65/33/43/927653343.db2.gz VGIPJBXUMQQDRB-CHWSQXEVSA-N 1 0 280.372 1.880 20 5 CDBDRO O=C(C1CCC1)N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169040212 927654015 /nfs/dbraw/zinc/65/40/15/927654015.db2.gz YUSJKOFVBKWTKO-JSGCOSHPSA-N 1 0 295.383 1.376 20 5 CDBDRO CCN1CCO[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169024817 927662539 /nfs/dbraw/zinc/66/25/39/927662539.db2.gz RAYVDGHUDXGOFW-BYNSBNAKSA-N 1 0 297.399 1.084 20 5 CDBDRO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169023904 927663534 /nfs/dbraw/zinc/66/35/34/927663534.db2.gz GLKDBPMTQWDTSI-IZXDZPFWSA-N 1 0 284.356 1.310 20 5 CDBDRO O=C1CCCC2(CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)N1 ZINC001169024127 927664029 /nfs/dbraw/zinc/66/40/29/927664029.db2.gz PZPHBOBULDFOAO-QWHCGFSZSA-N 1 0 295.383 1.567 20 5 CDBDRO [NH3+]CCONc1cc([N+](=O)[O-])cc2c(Cl)ncnc12 ZINC001156293774 927965493 /nfs/dbraw/zinc/96/54/93/927965493.db2.gz RDEGLRJVDKSKDF-UHFFFAOYSA-N 1 0 283.675 1.494 20 5 CDBDRO O=[N+]([O-])c1cc2cc[nH]c2c(NC[C@@H]2COCC[NH2+]2)c1 ZINC001170046205 929144615 /nfs/dbraw/zinc/14/46/15/929144615.db2.gz VWLPGQOEAUAQNM-SNVBAGLBSA-N 1 0 276.296 1.476 20 5 CDBDRO CN(CC[NH3+])CCNc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001159438674 930109785 /nfs/dbraw/zinc/10/97/85/930109785.db2.gz GCAKRUBFOOGINT-UHFFFAOYSA-N 1 0 289.339 1.445 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1cc([N+](=O)[O-])c(C)cc1OC ZINC001170862305 930498972 /nfs/dbraw/zinc/49/89/72/930498972.db2.gz HXJFOJUOBQORHV-GFCCVEGCSA-N 1 0 269.301 1.381 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1cccc(OC)c1[N+](=O)[O-] ZINC001170865234 930516599 /nfs/dbraw/zinc/51/65/99/930516599.db2.gz KXSNHIPKHTXROK-NSHDSACASA-N 1 0 255.274 1.073 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246870925 932307394 /nfs/dbraw/zinc/30/73/94/932307394.db2.gz QBAYSYSMQANXRA-MPKXVKKWSA-N 1 0 261.325 1.559 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1NC[C@H]1CCCC[NH2+]1 ZINC001171328167 932681771 /nfs/dbraw/zinc/68/17/71/932681771.db2.gz MGUKUNSFUQBQCF-SECBINFHSA-N 1 0 265.317 1.586 20 5 CDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@@H](C)C[NH+](C)C)n1 ZINC001155924558 937689745 /nfs/dbraw/zinc/68/97/45/937689745.db2.gz WANHHYHCUOWQCQ-ZETCQYMHSA-N 1 0 296.331 1.014 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@]1(O)CCCc2ccccc21 ZINC001120489984 937803116 /nfs/dbraw/zinc/80/31/16/937803116.db2.gz ZTXAYGNQWXUJPH-CYBMUJFWSA-N 1 0 250.298 1.077 20 5 CDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc(N)c([N+](=O)[O-])cn1 ZINC001120932221 937848329 /nfs/dbraw/zinc/84/83/29/937848329.db2.gz POIHEMXYMNSROG-GHMZBOCLSA-N 1 0 291.355 1.635 20 5 CDBDRO CN(CC[NH3+])C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001121991334 937896878 /nfs/dbraw/zinc/89/68/78/937896878.db2.gz YMSNQYWQQZXIBH-NEPJUHHUSA-N 1 0 263.297 1.115 20 5 CDBDRO CSCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001122252350 937915756 /nfs/dbraw/zinc/91/57/56/937915756.db2.gz PXUPUPUJTWHDER-JOYOIKCWSA-N 1 0 297.380 1.852 20 5 CDBDRO CC(C)(F)C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001122510147 937938391 /nfs/dbraw/zinc/93/83/91/937938391.db2.gz IOGSINFIVQMPHV-UHFFFAOYSA-N 1 0 283.303 1.549 20 5 CDBDRO Cc1cc(NC(=O)[C@@]2(F)CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC001122600809 937944973 /nfs/dbraw/zinc/94/49/73/937944973.db2.gz YNWQUFHXPQCYGC-GFCCVEGCSA-N 1 0 267.260 1.543 20 5 CDBDRO CN(c1ncnc2cc([N+](=O)[O-])ccc21)C1CC[NH2+]CC1 ZINC001156172681 938327884 /nfs/dbraw/zinc/32/78/84/938327884.db2.gz VVVRYRFJOSHJGM-UHFFFAOYSA-N 1 0 287.323 1.726 20 5 CDBDRO Cc1c(C)c(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC001156385070 938361518 /nfs/dbraw/zinc/36/15/18/938361518.db2.gz HLFBXDALKNBKSW-IUODEOHRSA-N 1 0 290.367 1.995 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(-n2ccc(C[NH3+])cc2=N)n1 ZINC001156850808 938425989 /nfs/dbraw/zinc/42/59/89/938425989.db2.gz SSLFRVCIJHCGAQ-UHFFFAOYSA-N 1 0 273.296 1.336 20 5 CDBDRO CC(C)[N@H+](C)[C@H]1CCN(c2nc(Cl)ncc2[N+](=O)[O-])C1 ZINC001157001186 938445008 /nfs/dbraw/zinc/44/50/08/938445008.db2.gz KGDWYXOGACYYOP-VIFPVBQESA-N 1 0 299.762 1.957 20 5 CDBDRO O=[N+]([O-])c1cccc(N[C@@H]2CCCN(C3COC3)C2)n1 ZINC001157580712 938514727 /nfs/dbraw/zinc/51/47/27/938514727.db2.gz FGTVQZRDXIOYDJ-SNVBAGLBSA-N 1 0 278.312 1.265 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1C[C@@H]2C[NH2+][C@@H]2C1 ZINC001157619932 938521270 /nfs/dbraw/zinc/52/12/70/938521270.db2.gz SHPQZPMLIPHNPN-CAHLUQPWSA-N 1 0 289.122 1.705 20 5 CDBDRO Cc1cnc(-n2cc3c(n2)CC[C@H]([NH3+])C3)c([N+](=O)[O-])c1 ZINC001157980184 938570931 /nfs/dbraw/zinc/57/09/31/938570931.db2.gz OAZITTMVGGHGAX-JTQLQIEISA-N 1 0 273.296 1.300 20 5 CDBDRO [NH3+]CCc1cnn(-c2ncc([N+](=O)[O-])cc2Cl)c1 ZINC001158096242 938582455 /nfs/dbraw/zinc/58/24/55/938582455.db2.gz PLJMAMSZYURDDH-UHFFFAOYSA-N 1 0 267.676 1.330 20 5 CDBDRO [NH3+]CCc1cnn(-c2cc([N+](=O)[O-])c3cc[nH]c3n2)c1 ZINC001158100648 938582978 /nfs/dbraw/zinc/58/29/78/938582978.db2.gz RWKWLTNUNAWDHG-UHFFFAOYSA-N 1 0 272.268 1.158 20 5 CDBDRO CCN(c1ncc(OC)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC001158205166 938595271 /nfs/dbraw/zinc/59/52/71/938595271.db2.gz MGAQIOTWKNAKRM-SNVBAGLBSA-N 1 0 280.328 1.577 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2CC[N@@H+](C)CC23CCCC3)n1 ZINC001158408936 938619181 /nfs/dbraw/zinc/61/91/81/938619181.db2.gz SKNPHGMIAKZETI-UHFFFAOYSA-N 1 0 291.355 1.758 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(N2CC[N@@H+]3CC[C@@H]3C2)nc1Cl ZINC001158423927 938622146 /nfs/dbraw/zinc/62/21/46/938622146.db2.gz OSEPADWPKJKZJL-SECBINFHSA-N 1 0 282.731 1.846 20 5 CDBDRO CC(C)[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2N)C[C@@H]1C ZINC001158495562 938629870 /nfs/dbraw/zinc/62/98/70/938629870.db2.gz XSWNKCFAWFNNJJ-JTQLQIEISA-N 1 0 279.344 1.491 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NCC2C[NH+](C)C2)n1 ZINC001159219021 938713252 /nfs/dbraw/zinc/71/32/52/938713252.db2.gz VWBQPEMEINFAFO-UHFFFAOYSA-N 1 0 271.708 1.320 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCC[NH2+]1 ZINC001160150437 938771578 /nfs/dbraw/zinc/77/15/78/938771578.db2.gz JEUMIZRUHSHCPF-QMMMGPOBSA-N 1 0 251.290 1.126 20 5 CDBDRO Nc1cc(NC[C@]2(CC3CC3)CCC[NH2+]2)ncc1[N+](=O)[O-] ZINC001162350834 939033200 /nfs/dbraw/zinc/03/32/00/939033200.db2.gz PHPQZAMAQNPYFJ-CQSZACIVSA-N 1 0 291.355 1.906 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cc(N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC001162390865 939041818 /nfs/dbraw/zinc/04/18/18/939041818.db2.gz JEXMSTJQDONJLL-DTWKUNHWSA-N 1 0 294.311 1.458 20 5 CDBDRO [NH3+]Cc1ccc(Nc2cc([N+](=O)[O-])cc[n+]2[O-])cc1F ZINC001162522849 939077782 /nfs/dbraw/zinc/07/77/82/939077782.db2.gz SLFPMMOSWGTXLN-UHFFFAOYSA-N 1 0 278.243 1.570 20 5 CDBDRO COc1c(F)cc(N[C@@H]2CC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC001162677236 939113187 /nfs/dbraw/zinc/11/31/87/939113187.db2.gz BVNJIFMBMOQIDY-GMSGAONNSA-N 1 0 269.276 1.905 20 5 CDBDRO Nc1ccnc(N2C[C@H]([NH3+])Cc3ccccc32)c1[N+](=O)[O-] ZINC001162847221 939151431 /nfs/dbraw/zinc/15/14/31/939151431.db2.gz KLTAYRMLSWBLBZ-SNVBAGLBSA-N 1 0 285.307 1.594 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001162978414 939167924 /nfs/dbraw/zinc/16/79/24/939167924.db2.gz ZNQYCWFQGSSEEC-CMPLNLGQSA-N 1 0 298.730 1.578 20 5 CDBDRO Cc1cc(NCC[C@@H]2CCOC23C[NH2+]C3)ncc1[N+](=O)[O-] ZINC001163090342 939197662 /nfs/dbraw/zinc/19/76/62/939197662.db2.gz UOBWGXXVGIEWEM-LLVKDONJSA-N 1 0 292.339 1.479 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH+]3CCC2CC3)cn2ccnc12 ZINC001163393007 939261151 /nfs/dbraw/zinc/26/11/51/939261151.db2.gz KUOZMVWGKYDOPT-LBPRGKRZSA-N 1 0 287.323 1.749 20 5 CDBDRO C[C@]1(C[NH3+])CCCN(c2cc([N+](=O)[O-])ccn2)CC1 ZINC001164242436 939439393 /nfs/dbraw/zinc/43/93/93/939439393.db2.gz KWPVSDFIKACQJH-ZDUSSCGKSA-N 1 0 264.329 1.945 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1-n1cnc2c1C[NH2+]CC2 ZINC001164309838 939451252 /nfs/dbraw/zinc/45/12/52/939451252.db2.gz FHGSCVSOZQDMRJ-UHFFFAOYSA-N 1 0 259.269 1.130 20 5 CDBDRO CC[NH+]1CCC(N(C)c2ncnc(OC)c2[N+](=O)[O-])CC1 ZINC001165067198 939506251 /nfs/dbraw/zinc/50/62/51/939506251.db2.gz CIWBYTKETHYTJF-UHFFFAOYSA-N 1 0 295.343 1.314 20 5 CDBDRO Cc1nc(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC001165182698 939521241 /nfs/dbraw/zinc/52/12/41/939521241.db2.gz MUBIHSDPKOGNPG-GWCFXTLKSA-N 1 0 277.328 1.081 20 5 CDBDRO Nc1cc(N2CCC3(CCCC[NH2+]3)CC2)ncc1[N+](=O)[O-] ZINC001165247589 939533170 /nfs/dbraw/zinc/53/31/70/939533170.db2.gz URDUJFMCBMNIIT-UHFFFAOYSA-N 1 0 291.355 1.685 20 5 CDBDRO [NH3+]CC1(F)CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001165262854 939536284 /nfs/dbraw/zinc/53/62/84/939536284.db2.gz OTQJQPJFONTLKO-UHFFFAOYSA-N 1 0 272.255 1.396 20 5 CDBDRO C[N@@H+]1CCC[C@H](CCNc2nccc(N)c2[N+](=O)[O-])C1 ZINC001165273686 939538475 /nfs/dbraw/zinc/53/84/75/939538475.db2.gz UGXVPDYJJOPZCO-SNVBAGLBSA-N 1 0 279.344 1.716 20 5 CDBDRO [NH3+][C@H]1[C@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)C[C@@H]12 ZINC001165380429 939552733 /nfs/dbraw/zinc/55/27/33/939552733.db2.gz AFFIXAOGCKJGGY-SRSLHRDFSA-N 1 0 254.677 1.037 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(N3CCC[C@H]4[NH2+]C[C@@H]43)cnc2c1 ZINC001165389002 939556789 /nfs/dbraw/zinc/55/67/89/939556789.db2.gz DKVJHMLYGOMQIG-YPMHNXCESA-N 1 0 285.307 1.479 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC[C@@H]4[NH2+]C[C@H]43)c21 ZINC001165392607 939557496 /nfs/dbraw/zinc/55/74/96/939557496.db2.gz CLYXPYVYCHTXPH-JOYOIKCWSA-N 1 0 285.307 1.479 20 5 CDBDRO [NH3+][C@@H]1CCN(c2cccc([N+](=O)[O-])n2)CC1(F)F ZINC001166962549 939662244 /nfs/dbraw/zinc/66/22/44/939662244.db2.gz UXAYETRWUPVTOU-SSDOTTSWSA-N 1 0 258.228 1.163 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@](C)([NH3+])C2)cc1[N+](=O)[O-] ZINC000405853961 940998506 /nfs/dbraw/zinc/99/85/06/940998506.db2.gz ZKLCWUVKNSYQQU-ZDUSSCGKSA-N 1 0 263.297 1.467 20 5 CDBDRO O=[N+]([O-])c1ccc2oc(CO[C@H]3CC[NH2+]C3)nc2c1 ZINC001217823676 941021324 /nfs/dbraw/zinc/02/13/24/941021324.db2.gz BNLDHJMPVHBRPX-VIFPVBQESA-N 1 0 263.253 1.615 20 5 CDBDRO O=[N+]([O-])c1cnc(O[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001218282614 941051053 /nfs/dbraw/zinc/05/10/53/941051053.db2.gz YSKDXZPYXFYUJT-SSDOTTSWSA-N 1 0 257.677 1.774 20 5 CDBDRO CC(C)(C)OC(=O)N1CC[C@@H](OCC[N+](C)(C)C)C1 ZINC001224772205 941790311 /nfs/dbraw/zinc/79/03/11/941790311.db2.gz WVNWWIZFKDJVGK-GFCCVEGCSA-N 1 0 273.397 1.719 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001226761134 942064951 /nfs/dbraw/zinc/06/49/51/942064951.db2.gz FYPUPXHHIWUOKI-GFCCVEGCSA-N 1 0 263.297 1.771 20 5 CDBDRO CC(C)N1C(=S)N=NC1O[C@H](C)C[N+](C)(C)C ZINC001227228033 942153617 /nfs/dbraw/zinc/15/36/17/942153617.db2.gz OPRYTCYTQYMCEW-SECBINFHSA-O 1 0 259.399 1.621 20 5 CDBDRO COC(=O)c1ccccc1O[C@@H](C)C[N+](C)(C)C ZINC001227600283 942193364 /nfs/dbraw/zinc/19/33/64/942193364.db2.gz ODOGFHOUWJYQSA-NSHDSACASA-N 1 0 252.334 1.947 20 5 CDBDRO COc1cc2c(O[C@H](C)C[N+](C)(C)C)nc[nH]c-2cc1=O ZINC001227800833 942228059 /nfs/dbraw/zinc/22/80/59/942228059.db2.gz HYFGVQRDACJRLJ-SNVBAGLBSA-O 1 0 292.359 1.818 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2ccccc2n1 ZINC001228084726 942266147 /nfs/dbraw/zinc/26/61/47/942266147.db2.gz MCOURWJMPABEFB-CYBMUJFWSA-N 1 0 289.355 1.597 20 5 CDBDRO Cc1cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1F ZINC001228219085 942282566 /nfs/dbraw/zinc/28/25/66/942282566.db2.gz IKMTWKASBNKIHI-LLVKDONJSA-N 1 0 270.324 1.497 20 5 CDBDRO CCOc1ncc(F)c(O[C@H](C)C[N+](C)(C)C)n1 ZINC001228367389 942304843 /nfs/dbraw/zinc/30/48/43/942304843.db2.gz IICZVBANYYATTA-SECBINFHSA-N 1 0 258.317 1.488 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCC[N@H+](C)C1 ZINC001229055843 942412889 /nfs/dbraw/zinc/41/28/89/942412889.db2.gz FSADYQQHFHVCOP-LLVKDONJSA-N 1 0 294.307 1.854 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2nc(N)sc2n1 ZINC001229991785 942563704 /nfs/dbraw/zinc/56/37/04/942563704.db2.gz DFRJXCFJWXYPIM-QMMMGPOBSA-N 1 0 267.378 1.747 20 5 CDBDRO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@H]1CC[N@@H+](C)C1 ZINC001230247141 942594304 /nfs/dbraw/zinc/59/43/04/942594304.db2.gz DQJOQFZVQYKTMV-NSHDSACASA-N 1 0 279.296 1.636 20 5 CDBDRO COC(=O)[C@@H]1Cc2ccc(O[C@H](C)C[N+](C)(C)C)cc2O1 ZINC001231001651 942754818 /nfs/dbraw/zinc/75/48/18/942754818.db2.gz NKXOEHRPEZZMQB-ABAIWWIYSA-N 1 0 294.371 1.637 20 5 CDBDRO C[N@H+](CCCNC(=O)C1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001231064314 942773013 /nfs/dbraw/zinc/77/30/13/942773013.db2.gz FEBIEQJSDZRFPC-UHFFFAOYSA-N 1 0 291.351 1.943 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000721846551 943311414 /nfs/dbraw/zinc/31/14/14/943311414.db2.gz QVUYFQKGRNMBEW-VIFPVBQESA-N 1 0 266.301 1.714 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(O[C@@H]2C[NH+]3CCC2CC3)n1 ZINC001234880055 943965297 /nfs/dbraw/zinc/96/52/97/943965297.db2.gz WDSVWXJHOWRCPW-LLVKDONJSA-N 1 0 279.296 1.471 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001261220681 946002963 /nfs/dbraw/zinc/00/29/63/946002963.db2.gz WDNBSGLFHYNSRX-AWEZNQCLSA-N 1 0 276.340 1.830 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[NH2+]C ZINC001261461537 946128328 /nfs/dbraw/zinc/12/83/28/946128328.db2.gz PAXBNUCCPWNKOG-VIFPVBQESA-N 1 0 280.328 1.364 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CC1 ZINC001254532218 947508323 /nfs/dbraw/zinc/50/83/23/947508323.db2.gz KYBUVTDPPBYSNQ-JTQLQIEISA-N 1 0 250.298 1.640 20 5 CDBDRO [NH3+][C@H]1CCCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254580545 947538414 /nfs/dbraw/zinc/53/84/14/947538414.db2.gz DURFGJNGKFJVPK-GXTWGEPZSA-N 1 0 261.325 1.485 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1(CO)CCOCC1)C2 ZINC001254584969 947541216 /nfs/dbraw/zinc/54/12/16/947541216.db2.gz USSWFRRJGLZDQL-ZDUSSCGKSA-N 1 0 292.335 1.193 20 5 CDBDRO COC(=O)[C@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254593249 947545693 /nfs/dbraw/zinc/54/56/93/947545693.db2.gz KKOZJLYTCZOQRC-FZMZJTMJSA-N 1 0 290.319 1.557 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001246485595 948201261 /nfs/dbraw/zinc/20/12/61/948201261.db2.gz BPJBWLQAQLQDCA-LERXQTSPSA-N 1 0 281.331 1.815 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246629103 948365522 /nfs/dbraw/zinc/36/55/22/948365522.db2.gz DLTMCNSZPOBGIO-CORIIIEPSA-N 1 0 275.352 1.962 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(C1CC1)C1C[NH2+]C1 ZINC001246864872 948491509 /nfs/dbraw/zinc/49/15/09/948491509.db2.gz PTDLONMBHHBZPO-LLVKDONJSA-N 1 0 275.352 1.962 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1C[C@H]3C[NH2+]C[C@@H]31)CC2 ZINC001246917127 948518530 /nfs/dbraw/zinc/51/85/30/948518530.db2.gz KBAGLDSWPDHUQU-FMKPAKJESA-N 1 0 287.363 1.746 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@]23C[C@@H]2C[NH2+]C3)n1 ZINC001247878446 948838971 /nfs/dbraw/zinc/83/89/71/948838971.db2.gz BCVLDZOLUFOLFM-SREIQFSDSA-N 1 0 291.242 1.040 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(C2(C)C[NH2+]C2)n1 ZINC001325665622 954017503 /nfs/dbraw/zinc/01/75/03/954017503.db2.gz GNPAJFHIRXQOAM-UHFFFAOYSA-N 1 0 274.280 1.814 20 5 CDBDRO O=c1c2cc([N+](=O)[O-])sc2ncn1C[C@@H]1CCC[NH2+]C1 ZINC001326052608 954198567 /nfs/dbraw/zinc/19/85/67/954198567.db2.gz VAOBBGFVIJKCBP-MRVPVSSYSA-N 1 0 294.336 1.366 20 5 CDBDRO C[C@@H]1CN(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC001308255156 956504104 /nfs/dbraw/zinc/50/41/04/956504104.db2.gz ARQCMZSKDDEMSR-GFCCVEGCSA-N 1 0 279.340 1.405 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001318082141 957902845 /nfs/dbraw/zinc/90/28/45/957902845.db2.gz SFDIEXHIYLFISE-UHFFFAOYSA-N 1 0 294.355 1.490 20 5 CDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC001318416182 958094003 /nfs/dbraw/zinc/09/40/03/958094003.db2.gz ZWWLQAIYWCXJCW-IUCAKERBSA-N 1 0 280.332 1.252 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NCC1(C)CC[NH+](C)CC1 ZINC001333736933 958557349 /nfs/dbraw/zinc/55/73/49/958557349.db2.gz FGJGNQVJPKESIT-UHFFFAOYSA-N 1 0 267.333 1.472 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2(O)CCC2)c1 ZINC001336740432 960529232 /nfs/dbraw/zinc/52/92/32/960529232.db2.gz XENRNZAHRWJTQZ-LBPRGKRZSA-N 1 0 266.297 1.133 20 5 CDBDRO CN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC001341778373 963539079 /nfs/dbraw/zinc/53/90/79/963539079.db2.gz QYFULSIWQRXJSF-CCAROEGRSA-N 1 0 289.335 1.646 20 5 CDBDRO CC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001342518456 963757532 /nfs/dbraw/zinc/75/75/32/963757532.db2.gz NBQZHIOOACJIEN-KWQFWETISA-N 1 0 251.286 1.509 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001342944338 963867277 /nfs/dbraw/zinc/86/72/77/963867277.db2.gz QNSCOODXMJZEKV-JIMOISOXSA-N 1 0 275.308 1.526 20 5 CDBDRO COc1c(O)ccc(C[NH2+]C[C@@]2(C)CCOC2)c1[N+](=O)[O-] ZINC001342959228 963872092 /nfs/dbraw/zinc/87/20/92/963872092.db2.gz FHTBBCDDOLEAMA-CQSZACIVSA-N 1 0 296.323 1.825 20 5 CDBDRO C[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001343460060 963992824 /nfs/dbraw/zinc/99/28/24/963992824.db2.gz VOUBZINLCNKPRP-GDLCADMTSA-N 1 0 289.335 1.519 20 5 CDBDRO C[NH2+][C@H](C)CCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC001345103451 964573537 /nfs/dbraw/zinc/57/35/37/964573537.db2.gz FJOAYRIJXHFXSO-SNVBAGLBSA-N 1 0 267.329 1.691 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC001345810054 964823062 /nfs/dbraw/zinc/82/30/62/964823062.db2.gz OFLVHPLBVRVALS-SKDRFNHKSA-N 1 0 292.339 1.446 20 5 CDBDRO COc1ccc(C[N@H+](CC[N+](=O)[O-])[C@H](CO)C(C)C)cc1 ZINC001351187972 966882876 /nfs/dbraw/zinc/88/28/76/966882876.db2.gz XFKAXVSVFLNMOS-OAHLLOKOSA-N 1 0 296.367 1.791 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CC23CCOCC3)c1 ZINC001353340001 967911387 /nfs/dbraw/zinc/91/13/87/967911387.db2.gz LTQDCEDBXJEZNQ-KGLIPLIRSA-N 1 0 292.335 1.787 20 5 CDBDRO CN(C)C1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001356609824 969442153 /nfs/dbraw/zinc/44/21/53/969442153.db2.gz DWGLTJBBLQJIMN-ZDUSSCGKSA-N 1 0 279.340 1.312 20 5 CDBDRO O=C(NC[C@H]1CCCCC[NH2+]1)c1c(F)cccc1[N+](=O)[O-] ZINC001358474927 969743269 /nfs/dbraw/zinc/74/32/69/969743269.db2.gz KNJWBPZBRTZDDW-SNVBAGLBSA-N 1 0 295.314 1.996 20 5 CDBDRO Cc1cc(NC(=O)C[NH2+]C[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC001515789109 969917268 /nfs/dbraw/zinc/91/72/68/969917268.db2.gz LCXDGXHNRWAGFS-CYBMUJFWSA-N 1 0 293.323 1.610 20 5 CDBDRO COc1cc(NCC[N@@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000599175497 343976116 /nfs/dbraw/zinc/97/61/16/343976116.db2.gz CXXYEKBTGYBSTF-LLVKDONJSA-N 1 0 281.312 1.082 20 5 CDBDRO CN(CC[NH+]1CCCC1)c1ncc(F)cc1[N+](=O)[O-] ZINC000601114587 342471734 /nfs/dbraw/zinc/47/17/34/342471734.db2.gz SUXYAKXZLBXAEQ-UHFFFAOYSA-N 1 0 268.292 1.661 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601129282 342473883 /nfs/dbraw/zinc/47/38/83/342473883.db2.gz PKDLINWPBGPCPD-SNVBAGLBSA-N 1 0 295.314 1.806 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCCN1c1ncc([N+](=O)[O-])cn1 ZINC000601190627 342488341 /nfs/dbraw/zinc/48/83/41/342488341.db2.gz ATTPPWLLZPJZDS-JTQLQIEISA-N 1 0 265.317 1.305 20 5 CDBDRO CC[C@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)OC ZINC000589326538 342503476 /nfs/dbraw/zinc/50/34/76/342503476.db2.gz XOUVLVLIELAOMZ-LLVKDONJSA-N 1 0 296.323 1.881 20 5 CDBDRO O=C(NCC[NH+]1CCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000533111310 282087074 /nfs/dbraw/zinc/08/70/74/282087074.db2.gz FVHLOVBOTGQNIG-UHFFFAOYSA-N 1 0 278.312 1.100 20 5 CDBDRO C[N@@H+]1CC[C@]2(CCN(c3cccnc3[N+](=O)[O-])C2)C1 ZINC000589879247 342516162 /nfs/dbraw/zinc/51/61/62/342516162.db2.gz VPFONTMVOCKYDI-ZDUSSCGKSA-N 1 0 262.313 1.522 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NCC[N@@H+]1CC[C@H](O)C1 ZINC000599199184 343979240 /nfs/dbraw/zinc/97/92/40/343979240.db2.gz GTACXMSZSHSWCV-NSHDSACASA-N 1 0 265.313 1.382 20 5 CDBDRO Cc1cc(N[C@H]2CCC[C@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000382435510 361744015 /nfs/dbraw/zinc/74/40/15/361744015.db2.gz VLRAFQNEKTZPJR-UWVGGRQHSA-N 1 0 250.302 1.980 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000070174958 361745686 /nfs/dbraw/zinc/74/56/86/361745686.db2.gz CQJOLPZYYKZKSI-NXEZZACHSA-N 1 0 250.302 1.553 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@]2(O)CCSC2)cc1 ZINC000590594258 342579137 /nfs/dbraw/zinc/57/91/37/342579137.db2.gz OQPIZFXKESLSPA-ZDUSSCGKSA-N 1 0 282.365 1.595 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)C[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000237602421 342064284 /nfs/dbraw/zinc/06/42/84/342064284.db2.gz ZNRWFCMYLGRSRO-SNVBAGLBSA-N 1 0 277.324 1.832 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000600311587 342077289 /nfs/dbraw/zinc/07/72/89/342077289.db2.gz PSYXFCHUJYOVJX-NSHDSACASA-N 1 0 294.355 1.395 20 5 CDBDRO CNc1ccc(C(=O)NC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000047852666 342104316 /nfs/dbraw/zinc/10/43/16/342104316.db2.gz ZIQZFAHTACNSSR-SECBINFHSA-N 1 0 280.328 1.316 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1CCC[NH2+]1)OCCO2 ZINC000591275506 342623919 /nfs/dbraw/zinc/62/39/19/342623919.db2.gz FDJXVLHTNQXKGI-NSHDSACASA-N 1 0 293.323 1.208 20 5 CDBDRO CC(=O)c1cc(N2CC[C@H]3CC[NH2+][C@@H]3C2)ccc1[N+](=O)[O-] ZINC000591439038 342632057 /nfs/dbraw/zinc/63/20/57/342632057.db2.gz QWWJJYDMUIJKPJ-BXUZGUMPSA-N 1 0 289.335 1.986 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)s1 ZINC000591439397 342632093 /nfs/dbraw/zinc/63/20/93/342632093.db2.gz ULGVUOPOGQPJGJ-JGVFFNPUSA-N 1 0 254.315 1.240 20 5 CDBDRO COc1ccc(CC(=O)NCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000591678815 342641549 /nfs/dbraw/zinc/64/15/49/342641549.db2.gz ZFSBVOBTQROOOX-UHFFFAOYSA-N 1 0 293.323 1.014 20 5 CDBDRO COc1cccc(C(=O)NC[C@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC000591677708 342641564 /nfs/dbraw/zinc/64/15/64/342641564.db2.gz UHHHUICKEFNDKM-SNVBAGLBSA-N 1 0 293.323 1.475 20 5 CDBDRO [NH3+][C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000261982414 342150550 /nfs/dbraw/zinc/15/05/50/342150550.db2.gz WPIMBMNEMXDALS-LLVKDONJSA-N 1 0 292.339 1.250 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000592275915 342682950 /nfs/dbraw/zinc/68/29/50/342682950.db2.gz XFTYIPQPIIYAEG-GZMMTYOYSA-N 1 0 297.742 1.862 20 5 CDBDRO Cc1c(CC(=O)N[C@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000592329148 342685273 /nfs/dbraw/zinc/68/52/73/342685273.db2.gz MMDQMBHEWHHSGG-ZDUSSCGKSA-N 1 0 291.351 1.704 20 5 CDBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000592427566 342694596 /nfs/dbraw/zinc/69/45/96/342694596.db2.gz CFFWWVXDMVVQOG-RYWCDNDXSA-N 1 0 261.325 1.902 20 5 CDBDRO Cc1ccc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000592478119 342699308 /nfs/dbraw/zinc/69/93/08/342699308.db2.gz YSZIQDLKOIVVPP-IAZYJMLFSA-N 1 0 261.281 1.307 20 5 CDBDRO CC[NH2+]Cc1cn(Cc2cc([N+](=O)[O-])ccc2OC)nn1 ZINC000090295968 342181498 /nfs/dbraw/zinc/18/14/98/342181498.db2.gz JBFQSFTZBFFTSP-UHFFFAOYSA-N 1 0 291.311 1.353 20 5 CDBDRO [NH3+]C1(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000342601838 539042086 /nfs/dbraw/zinc/04/20/86/539042086.db2.gz YGQDRSRYKCFQRH-UHFFFAOYSA-N 1 0 289.295 1.082 20 5 CDBDRO CC(C)Oc1nc(N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000593930871 342852636 /nfs/dbraw/zinc/85/26/36/342852636.db2.gz GDWLJYCXDQGTLY-GHMZBOCLSA-N 1 0 294.355 1.881 20 5 CDBDRO COc1ccc(NC(=O)[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000593908049 342855049 /nfs/dbraw/zinc/85/50/49/342855049.db2.gz ZLQXIPDQRFQKGK-SNVBAGLBSA-N 1 0 293.323 1.932 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000594427139 342897099 /nfs/dbraw/zinc/89/70/99/342897099.db2.gz GJOOZCPLWISFHX-HIFRSBDPSA-N 1 0 289.335 1.601 20 5 CDBDRO CCc1nn(C)c(N[C@H]2CC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000588818461 342222563 /nfs/dbraw/zinc/22/25/63/342222563.db2.gz UGSWTIHNZYCRIE-NSHDSACASA-N 1 0 293.371 1.787 20 5 CDBDRO CCN(CC[NH3+])[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600715177 342246470 /nfs/dbraw/zinc/24/64/70/342246470.db2.gz GHXCJNYVLVJKBG-JTQLQIEISA-N 1 0 280.328 1.202 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCCN1c1ncccc1[N+](=O)[O-] ZINC000594873683 342972891 /nfs/dbraw/zinc/97/28/91/342972891.db2.gz KWPBZMPONFILKS-LLVKDONJSA-N 1 0 264.329 1.910 20 5 CDBDRO Cc1c(C(=O)NC[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000108347068 349736592 /nfs/dbraw/zinc/73/65/92/349736592.db2.gz SGZVTYZKKFMXGG-GFCCVEGCSA-N 1 0 291.351 1.975 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](C)O ZINC000595005289 342995532 /nfs/dbraw/zinc/99/55/32/342995532.db2.gz BHPIEXKEGAYDJQ-DTWKUNHWSA-N 1 0 254.286 1.635 20 5 CDBDRO [NH3+][C@@H]1C[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000404523795 349774972 /nfs/dbraw/zinc/77/49/72/349774972.db2.gz RLIDKCGKUNDIFE-NEPJUHHUSA-N 1 0 290.323 1.986 20 5 CDBDRO Cc1noc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000595396490 343047563 /nfs/dbraw/zinc/04/75/63/343047563.db2.gz VWYGRIVMPXMGSY-WDEREUQCSA-N 1 0 281.312 1.750 20 5 CDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000075841735 342317874 /nfs/dbraw/zinc/31/78/74/342317874.db2.gz YPBCAUMRDSDLJM-ZDUSSCGKSA-N 1 0 280.324 1.819 20 5 CDBDRO Cc1noc(CN2CCC[C@@]2(C)CO)c1[N+](=O)[O-] ZINC000595437826 343060687 /nfs/dbraw/zinc/06/06/87/343060687.db2.gz JZRMPDJODMPHGT-NSHDSACASA-N 1 0 255.274 1.238 20 5 CDBDRO Cc1noc(C[NH2+][C@@H]2CSC[C@H]2C)c1[N+](=O)[O-] ZINC000595481277 343065223 /nfs/dbraw/zinc/06/52/23/343065223.db2.gz CRMXGMZEKJKPSA-HTRCEHHLSA-N 1 0 257.315 1.732 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+](CCCO)C2)nc1 ZINC000294980669 199282866 /nfs/dbraw/zinc/28/28/66/199282866.db2.gz PCXOMUPTHZAVPQ-NSHDSACASA-N 1 0 280.328 1.249 20 5 CDBDRO CNc1ccc(C(=O)N[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595992902 343213363 /nfs/dbraw/zinc/21/33/63/343213363.db2.gz UAQUZGOZCJSWKG-ZDUSSCGKSA-N 1 0 278.312 1.118 20 5 CDBDRO CC1(C)CC[NH2+][C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595923687 343192429 /nfs/dbraw/zinc/19/24/29/343192429.db2.gz AXDMOKRYBHLLIS-LLVKDONJSA-N 1 0 263.297 1.921 20 5 CDBDRO O=c1[nH]ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596119962 343232630 /nfs/dbraw/zinc/23/26/30/343232630.db2.gz FLBAVFDSMSAUCC-LLVKDONJSA-N 1 0 292.339 1.760 20 5 CDBDRO CC[NH+](CC)C[C@H]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596140197 343241603 /nfs/dbraw/zinc/24/16/03/343241603.db2.gz FCFPEMUZHIGPKS-LLVKDONJSA-N 1 0 294.355 1.864 20 5 CDBDRO CC(C)[NH+]1CCC(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596062865 343223911 /nfs/dbraw/zinc/22/39/11/343223911.db2.gz SLXLOYHIHDDMBI-UHFFFAOYSA-N 1 0 280.328 1.980 20 5 CDBDRO Cc1nn(C)c(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000376261177 282272237 /nfs/dbraw/zinc/27/22/37/282272237.db2.gz XYYGASOXOVASEC-JQWIXIFHSA-N 1 0 293.371 1.700 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[NH2+]C1 ZINC000126899950 187268508 /nfs/dbraw/zinc/26/85/08/187268508.db2.gz DYGQMMICDOSPFX-VIFPVBQESA-N 1 0 283.715 1.269 20 5 CDBDRO Cc1cc(N2C[C@H](C[NH3+])C[C@H]2C)ncc1[N+](=O)[O-] ZINC000228081320 140190188 /nfs/dbraw/zinc/19/01/88/140190188.db2.gz JBJBNLDHSYGMFA-ZJUUUORDSA-N 1 0 250.302 1.472 20 5 CDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000598668475 343871180 /nfs/dbraw/zinc/87/11/80/343871180.db2.gz UHBYHSQVDAJIHP-SMDDNHRTSA-N 1 0 275.308 1.548 20 5 CDBDRO CC[NH2+]CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598916237 343919968 /nfs/dbraw/zinc/91/99/68/343919968.db2.gz UEZWKJZZYBFYPK-UHFFFAOYSA-N 1 0 286.719 1.979 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000598915807 343920054 /nfs/dbraw/zinc/92/00/54/343920054.db2.gz PKRIMEBFAVJTQC-DTWKUNHWSA-N 1 0 296.302 1.996 20 5 CDBDRO C[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000602047560 344324689 /nfs/dbraw/zinc/32/46/89/344324689.db2.gz ZATUGKGGMOQVKD-SNVBAGLBSA-N 1 0 280.328 1.073 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000602108866 344337765 /nfs/dbraw/zinc/33/77/65/344337765.db2.gz KYVFXEUFMLMEEU-AWEZNQCLSA-N 1 0 291.351 1.738 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000602597419 344503160 /nfs/dbraw/zinc/50/31/60/344503160.db2.gz CMTPHDLTVNNIJI-KOLCDFICSA-N 1 0 263.297 1.085 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417940630 529982974 /nfs/dbraw/zinc/98/29/74/529982974.db2.gz MAZWOWRYFOHJFI-LLVKDONJSA-N 1 0 294.355 1.292 20 5 CDBDRO C[C@@H]1CN(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602543297 344460974 /nfs/dbraw/zinc/46/09/74/344460974.db2.gz ADIHNOCGUOCGGQ-CYBMUJFWSA-N 1 0 293.367 1.448 20 5 CDBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000162249957 529980513 /nfs/dbraw/zinc/98/05/13/529980513.db2.gz WAYQVJKDDHMIPF-UHFFFAOYSA-N 1 0 298.314 1.707 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000154570484 529981458 /nfs/dbraw/zinc/98/14/58/529981458.db2.gz HCLORQNTBQPTMT-LLVKDONJSA-N 1 0 294.355 1.369 20 5 CDBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)NCCF ZINC000602651667 344516423 /nfs/dbraw/zinc/51/64/23/344516423.db2.gz KLDTVKICTCZGGQ-SNVBAGLBSA-N 1 0 283.303 1.201 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000147937375 362443278 /nfs/dbraw/zinc/44/32/78/362443278.db2.gz KTGRLVLATCCWKC-JTQLQIEISA-N 1 0 263.297 1.337 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CC1CCC1)[C@H](C)CO ZINC000602819493 344608665 /nfs/dbraw/zinc/60/86/65/344608665.db2.gz DCTCLGSATCAZGF-LLVKDONJSA-N 1 0 296.371 1.583 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000128576831 344684740 /nfs/dbraw/zinc/68/47/40/344684740.db2.gz QZLIJXDBHVLLNV-RNCFNFMXSA-N 1 0 299.758 1.796 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000302442163 344868859 /nfs/dbraw/zinc/86/88/59/344868859.db2.gz NPEZERDKXACPIA-UHFFFAOYSA-N 1 0 255.249 1.155 20 5 CDBDRO COC[C@@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000619466055 345178878 /nfs/dbraw/zinc/17/88/78/345178878.db2.gz YBXOUBRPQDEBOU-WDEREUQCSA-N 1 0 268.313 1.561 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000129265018 345281931 /nfs/dbraw/zinc/28/19/31/345281931.db2.gz VILSWXZNJNMQNC-RKDXNWHRSA-N 1 0 281.287 1.686 20 5 CDBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000087818635 345810227 /nfs/dbraw/zinc/81/02/27/345810227.db2.gz YHWCMZPVMVOEAV-JTQLQIEISA-N 1 0 252.314 1.886 20 5 CDBDRO COc1ccc(C(=O)N2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000127545958 187315328 /nfs/dbraw/zinc/31/53/28/187315328.db2.gz MWDJHMYHBQYLDH-SNVBAGLBSA-N 1 0 279.296 1.167 20 5 CDBDRO CC(C)N1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000610480773 346290048 /nfs/dbraw/zinc/29/00/48/346290048.db2.gz VOSJQHPYIKDRBJ-CQSZACIVSA-N 1 0 291.351 1.736 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CC[C@@H](CO)C2)c1 ZINC000295142994 199370155 /nfs/dbraw/zinc/37/01/55/199370155.db2.gz ZWNPTUQQFYPBRD-NEPJUHHUSA-N 1 0 250.298 1.845 20 5 CDBDRO COCC[C@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001579012688 1172081737 /nfs/dbraw/zinc/08/17/37/1172081737.db2.gz PKWINDJJVCUDGK-LBPRGKRZSA-N 1 0 297.330 1.544 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2cccs2)c1 ZINC000037880449 346369595 /nfs/dbraw/zinc/36/95/95/346369595.db2.gz MGYLXKBKHCYAPM-NSHDSACASA-N 1 0 296.352 1.046 20 5 CDBDRO C[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000230417855 346550222 /nfs/dbraw/zinc/55/02/22/346550222.db2.gz KDYMUNHXCSHPPK-NQBHXWOUSA-N 1 0 282.344 1.178 20 5 CDBDRO CC[N@@H+]1CCN(c2ncccc2[N+](=O)[O-])C[C@@H]1C ZINC000611084425 346603362 /nfs/dbraw/zinc/60/33/62/346603362.db2.gz ZRHUWJLYHXWKGI-JTQLQIEISA-N 1 0 250.302 1.520 20 5 CDBDRO C[NH+]1CCC2(CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000611265431 346726952 /nfs/dbraw/zinc/72/69/52/346726952.db2.gz VLUNJUYZKYVPSK-UHFFFAOYSA-N 1 0 292.339 1.623 20 5 CDBDRO Cc1noc(C)c1[C@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000612461605 347170828 /nfs/dbraw/zinc/17/08/28/347170828.db2.gz KOZXRIGAIVJSBB-QMMMGPOBSA-N 1 0 279.300 1.747 20 5 CDBDRO C[NH+](C)CCOCCNc1sccc1[N+](=O)[O-] ZINC000613113981 347397994 /nfs/dbraw/zinc/39/79/94/347397994.db2.gz LOJQTHCVGLUGBO-UHFFFAOYSA-N 1 0 259.331 1.646 20 5 CDBDRO CC1(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)COC1 ZINC000094722034 347599640 /nfs/dbraw/zinc/59/96/40/347599640.db2.gz QXBHWGZRFMRSDZ-UHFFFAOYSA-N 1 0 266.297 1.600 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2(CO)CC2)cc1 ZINC000122403349 347642115 /nfs/dbraw/zinc/64/21/15/347642115.db2.gz HBXUWDTWJDGLTJ-UHFFFAOYSA-N 1 0 250.298 1.499 20 5 CDBDRO Cc1nn(C)c(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000090795244 348157579 /nfs/dbraw/zinc/15/75/79/348157579.db2.gz URSHFVKPLVZEJE-PSASIEDQSA-N 1 0 267.333 1.531 20 5 CDBDRO COc1ccc(C(=O)N[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000087383641 179418203 /nfs/dbraw/zinc/41/82/03/179418203.db2.gz VRLHWWBJEDROQJ-SNVBAGLBSA-N 1 0 279.296 1.071 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132776254 535075466 /nfs/dbraw/zinc/07/54/66/535075466.db2.gz IVRJHHZOXMZOAR-LLVKDONJSA-N 1 0 269.276 1.447 20 5 CDBDRO CNC(=O)c1ccc(NCC[NH2+]C(C)(C)C)c([N+](=O)[O-])c1 ZINC000057839404 348848859 /nfs/dbraw/zinc/84/88/59/348848859.db2.gz OEOSRBJYWMBTNC-UHFFFAOYSA-N 1 0 294.355 1.754 20 5 CDBDRO C[N@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000063116959 348918925 /nfs/dbraw/zinc/91/89/25/348918925.db2.gz KTTAEHWPMMYMHH-UHFFFAOYSA-N 1 0 263.297 1.419 20 5 CDBDRO C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000454293751 252340616 /nfs/dbraw/zinc/34/06/16/252340616.db2.gz VMESGNLJIIPKQH-JTQLQIEISA-N 1 0 280.328 1.344 20 5 CDBDRO CC[N@H+](C)C[C@H](O)COc1cccc(C)c1[N+](=O)[O-] ZINC000311460611 350685744 /nfs/dbraw/zinc/68/57/44/350685744.db2.gz LUQCVFVFFDEHNF-NSHDSACASA-N 1 0 268.313 1.595 20 5 CDBDRO CNC(=O)[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000111267853 186382690 /nfs/dbraw/zinc/38/26/90/186382690.db2.gz SYCFUWKAYNWESU-ZDUSSCGKSA-N 1 0 291.351 1.595 20 5 CDBDRO CCCC[C@@H]([NH3+])C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353472638 363042128 /nfs/dbraw/zinc/04/21/28/363042128.db2.gz QSSSEDNAHLQQKQ-LLVKDONJSA-N 1 0 295.339 1.737 20 5 CDBDRO CCc1ccc(C(=O)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000120364078 186894783 /nfs/dbraw/zinc/89/47/83/186894783.db2.gz AXJAYTKRHHEMPR-LBPRGKRZSA-N 1 0 277.324 1.639 20 5 CDBDRO COc1ccc(NC(=O)[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000136484217 363121954 /nfs/dbraw/zinc/12/19/54/363121954.db2.gz WSUBOIXPNBZWIT-CYBMUJFWSA-N 1 0 279.296 1.542 20 5 CDBDRO O=C(CC[C@H]1CCC[NH2+]1)NCCc1ccccc1[N+](=O)[O-] ZINC000292077091 198155513 /nfs/dbraw/zinc/15/55/13/198155513.db2.gz LTLRHFWNBCKUKJ-CYBMUJFWSA-N 1 0 291.351 1.786 20 5 CDBDRO CCOc1ccc([C@@H](C)[NH2+]CCOCCO)cc1[N+](=O)[O-] ZINC000152624550 188033160 /nfs/dbraw/zinc/03/31/60/188033160.db2.gz RJKSYOVKDXDVLB-LLVKDONJSA-N 1 0 298.339 1.653 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000157615578 188327795 /nfs/dbraw/zinc/32/77/95/188327795.db2.gz BMCHFMNGHKHDQV-OCCSQVGLSA-N 1 0 291.351 1.771 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158232867 188364543 /nfs/dbraw/zinc/36/45/43/188364543.db2.gz CCNSSDMMWQBLBW-HNNXBMFYSA-N 1 0 289.335 1.349 20 5 CDBDRO Cc1ccc(C[NH2+]CC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000112717191 366125693 /nfs/dbraw/zinc/12/56/93/366125693.db2.gz WBJMCWNBWZLPRA-UHFFFAOYSA-N 1 0 280.324 1.534 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(O)CCOCC2)c1 ZINC000112717158 366126520 /nfs/dbraw/zinc/12/65/20/366126520.db2.gz IOHLHNRBJMZFKY-UHFFFAOYSA-N 1 0 266.297 1.226 20 5 CDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000121561676 366127274 /nfs/dbraw/zinc/12/72/74/366127274.db2.gz YUQBWJYVTTXFBD-LBPRGKRZSA-N 1 0 291.351 1.975 20 5 CDBDRO Cc1sc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000332702998 356059468 /nfs/dbraw/zinc/05/94/68/356059468.db2.gz XLLJRZDHJHDORA-XPUUQOCRSA-N 1 0 269.326 1.384 20 5 CDBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000304508325 356283837 /nfs/dbraw/zinc/28/38/37/356283837.db2.gz HKWHNUURSBUOFY-STQMWFEESA-N 1 0 282.344 1.417 20 5 CDBDRO C[NH+](C)CCn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000132433966 357002440 /nfs/dbraw/zinc/00/24/40/357002440.db2.gz ICCKWZVKAWLKBF-UHFFFAOYSA-N 1 0 290.117 1.081 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000379677598 357213858 /nfs/dbraw/zinc/21/38/58/357213858.db2.gz LHEKVPRVFUISOV-DMTLFAOVSA-N 1 0 275.308 1.558 20 5 CDBDRO [NH3+][C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000261959063 357345640 /nfs/dbraw/zinc/34/56/40/357345640.db2.gz RLJRHCNQIQQMSH-NSHDSACASA-N 1 0 289.291 1.808 20 5 CDBDRO COc1cc(CN2C[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000262041122 357355238 /nfs/dbraw/zinc/35/52/38/357355238.db2.gz PDIKVTUGEAHVEA-ONGXEEELSA-N 1 0 295.339 1.391 20 5 CDBDRO COCCC[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181577678 357362335 /nfs/dbraw/zinc/36/23/35/357362335.db2.gz NPAGAVPEYLSRDT-GFCCVEGCSA-N 1 0 298.339 1.303 20 5 CDBDRO CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000182204650 357419569 /nfs/dbraw/zinc/41/95/69/357419569.db2.gz SXPCWBNGXOUGFC-GFCCVEGCSA-N 1 0 280.324 1.819 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000185171335 357517689 /nfs/dbraw/zinc/51/76/89/357517689.db2.gz RETUBBALKJXZKQ-UPJWGTAASA-N 1 0 289.335 1.713 20 5 CDBDRO O=c1c([N+](=O)[O-])cc(Cl)cn1CC[C@H]1CC[NH2+]C1 ZINC000566559589 358091893 /nfs/dbraw/zinc/09/18/93/358091893.db2.gz LHRZTHDHROJICG-MRVPVSSYSA-N 1 0 271.704 1.410 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[NH+](CCO)CC1 ZINC000033299929 358178713 /nfs/dbraw/zinc/17/87/13/358178713.db2.gz XTLNYLRQJWXZRM-HYXAFXHYSA-N 1 0 291.351 1.218 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC001579733744 1172248222 /nfs/dbraw/zinc/24/82/22/1172248222.db2.gz AIKLBILHHMNFQL-WDEREUQCSA-N 1 0 264.281 1.936 20 5 CDBDRO C[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000094340332 358655158 /nfs/dbraw/zinc/65/51/58/358655158.db2.gz CTBJIAAQLKOKHI-CBAPKCEASA-N 1 0 269.326 1.466 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@]2(O)CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000227975870 358688518 /nfs/dbraw/zinc/68/85/18/358688518.db2.gz FJHPAOHWAWTMFN-SMDDNHRTSA-N 1 0 280.324 1.533 20 5 CDBDRO CC[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000176239394 358745628 /nfs/dbraw/zinc/74/56/28/358745628.db2.gz NSIBMMSEFUQGKI-WDEREUQCSA-N 1 0 268.317 1.291 20 5 CDBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC1CC1 ZINC000176245129 358750380 /nfs/dbraw/zinc/75/03/80/358750380.db2.gz ONVCNXFKMPBMRK-UHFFFAOYSA-N 1 0 252.318 1.913 20 5 CDBDRO Cc1c(C(=O)NCC[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000120344013 358764012 /nfs/dbraw/zinc/76/40/12/358764012.db2.gz WZSJFNUCNGILEB-UHFFFAOYSA-N 1 0 296.283 1.103 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])CCC1 ZINC000342624044 359145454 /nfs/dbraw/zinc/14/54/54/359145454.db2.gz WSHRCFRWVGSEEG-UHFFFAOYSA-N 1 0 279.296 1.215 20 5 CDBDRO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000237068534 363638111 /nfs/dbraw/zinc/63/81/11/363638111.db2.gz SXJXVRFEKAPUSE-GXFFZTMASA-N 1 0 294.355 1.496 20 5 CDBDRO Cc1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000073000361 360048125 /nfs/dbraw/zinc/04/81/25/360048125.db2.gz VWPGBVATDCCUKJ-SNVBAGLBSA-N 1 0 262.313 1.947 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000235438258 360114990 /nfs/dbraw/zinc/11/49/90/360114990.db2.gz ABDSTLBOISGQBR-BCMFZCSUSA-N 1 0 289.335 1.865 20 5 CDBDRO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCCOC1 ZINC000348150324 360524844 /nfs/dbraw/zinc/52/48/44/360524844.db2.gz XWDBCMMKRABMFE-ZJUUUORDSA-N 1 0 268.317 1.233 20 5 CDBDRO CSc1ccc(C(=O)N2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000178567269 189127670 /nfs/dbraw/zinc/12/76/70/189127670.db2.gz DPGYCLCSKDZJOL-SECBINFHSA-N 1 0 295.364 1.738 20 5 CDBDRO CC1(O)CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178866831 189151351 /nfs/dbraw/zinc/15/13/51/189151351.db2.gz JRURXLBGFYVTMW-ZDUSSCGKSA-N 1 0 280.324 1.475 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000070076382 361239736 /nfs/dbraw/zinc/23/97/36/361239736.db2.gz VVMORRZKOLWKAR-IDDPWSFUSA-N 1 0 289.335 1.817 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H](C)N1CC[NH+](C)CC1 ZINC000080611192 361314960 /nfs/dbraw/zinc/31/49/60/361314960.db2.gz GKLLQJZHTZACIN-ZDUSSCGKSA-N 1 0 292.383 1.951 20 5 CDBDRO CC(C)C[C@H]([NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000236689183 361358168 /nfs/dbraw/zinc/35/81/68/361358168.db2.gz DIJIWVJSWDXKQX-LBPRGKRZSA-N 1 0 279.340 1.627 20 5 CDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ncc([N+](=O)[O-])c(N)n1 ZINC000301587228 201084540 /nfs/dbraw/zinc/08/45/40/201084540.db2.gz RTZBVIUYWDFIAB-ZJUUUORDSA-N 1 0 292.343 1.030 20 5 CDBDRO CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C)C1 ZINC000053251028 361403030 /nfs/dbraw/zinc/40/30/30/361403030.db2.gz LHCHQCJUFMMNAL-LLVKDONJSA-N 1 0 292.339 1.343 20 5 CDBDRO CC(C)[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000351310500 361638221 /nfs/dbraw/zinc/63/82/21/361638221.db2.gz ZZBMCCWSESKDMF-LLVKDONJSA-N 1 0 268.317 1.148 20 5 CDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000345826261 364026132 /nfs/dbraw/zinc/02/61/32/364026132.db2.gz PYEFMVLNVNQUHN-NEPJUHHUSA-N 1 0 277.324 1.599 20 5 CDBDRO Cc1nn(C)c(N(C)CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000301257244 364196938 /nfs/dbraw/zinc/19/69/38/364196938.db2.gz GADDBHLWMRKCRU-UHFFFAOYSA-N 1 0 267.333 1.169 20 5 CDBDRO CC(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000035011585 364616252 /nfs/dbraw/zinc/61/62/52/364616252.db2.gz NMVFPHOJDMGYHZ-UHFFFAOYSA-N 1 0 277.324 1.695 20 5 CDBDRO C[NH+](C)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000275709658 193110191 /nfs/dbraw/zinc/11/01/91/193110191.db2.gz CJFGEMGLIJOWCD-UHFFFAOYSA-N 1 0 291.351 1.738 20 5 CDBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000457074087 365374686 /nfs/dbraw/zinc/37/46/86/365374686.db2.gz LANZHKJAORUTPE-UHFFFAOYSA-N 1 0 280.328 1.527 20 5 CDBDRO Cc1ccc(C[NH2+][C@H](CO)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000414562934 241260447 /nfs/dbraw/zinc/26/04/47/241260447.db2.gz UEWPTQQVNWRRON-UONOGXRCSA-N 1 0 294.351 1.780 20 5 CDBDRO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000414483828 241223736 /nfs/dbraw/zinc/22/37/36/241223736.db2.gz FWDVYOHTHSWSPV-KBPBESRZSA-N 1 0 280.324 1.485 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000414653267 241302294 /nfs/dbraw/zinc/30/22/94/241302294.db2.gz HUZKGLQIJRUIOA-QMMMGPOBSA-N 1 0 280.284 1.087 20 5 CDBDRO Cc1ccc(NC(=O)N[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414665247 241310092 /nfs/dbraw/zinc/31/00/92/241310092.db2.gz UYZIESNLOOFGHN-JTQLQIEISA-N 1 0 264.285 1.387 20 5 CDBDRO COc1cc(N2CCC[N@H+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000271125477 366970840 /nfs/dbraw/zinc/97/08/40/366970840.db2.gz ZNFUUTVDNSOYQW-UHFFFAOYSA-N 1 0 283.303 1.884 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000094339745 367258665 /nfs/dbraw/zinc/25/86/65/367258665.db2.gz FJPPBBJWTKIUIH-GWCFXTLKSA-N 1 0 277.324 1.713 20 5 CDBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000130531159 367284806 /nfs/dbraw/zinc/28/48/06/367284806.db2.gz BWBMETPKHQNZHR-PELKAZGASA-N 1 0 281.312 1.915 20 5 CDBDRO C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090520407 367568570 /nfs/dbraw/zinc/56/85/70/367568570.db2.gz HRGNRKFXKRZYTR-GFCCVEGCSA-N 1 0 279.340 1.879 20 5 CDBDRO CCOC[C@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000441249799 368757493 /nfs/dbraw/zinc/75/74/93/368757493.db2.gz PARFOYWUMNETTH-CQSZACIVSA-N 1 0 294.351 1.957 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000089091128 368827865 /nfs/dbraw/zinc/82/78/65/368827865.db2.gz NIFNDNPRPMJBNQ-NEPJUHHUSA-N 1 0 277.324 1.381 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000089107086 368974713 /nfs/dbraw/zinc/97/47/13/368974713.db2.gz HUOMLEQXIFGXBD-BDAKNGLRSA-N 1 0 267.285 1.435 20 5 CDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@H](C)C1 ZINC000420334574 244101483 /nfs/dbraw/zinc/10/14/83/244101483.db2.gz IZHUMQMHIXXBPV-GHMZBOCLSA-N 1 0 292.339 1.216 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000330889053 203355256 /nfs/dbraw/zinc/35/52/56/203355256.db2.gz BBHKBXVYUTUDFE-DGCLKSJQSA-N 1 0 291.351 1.736 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000161315721 369890098 /nfs/dbraw/zinc/89/00/98/369890098.db2.gz WOCUIMKJEGBHDC-RKDXNWHRSA-N 1 0 281.287 1.734 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCCC[NH3+] ZINC000037714472 369983321 /nfs/dbraw/zinc/98/33/21/369983321.db2.gz GZCSRAVVYHSOLD-UHFFFAOYSA-N 1 0 251.286 1.372 20 5 CDBDRO C[C@@H](NC(=O)C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000037766488 370079366 /nfs/dbraw/zinc/07/93/66/370079366.db2.gz UXHREXXIYMFMSR-SNVBAGLBSA-N 1 0 277.324 1.772 20 5 CDBDRO CN(CC[NH+]1CCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000001657941 370461248 /nfs/dbraw/zinc/46/12/48/370461248.db2.gz BQJDDAHSMWNLQN-UHFFFAOYSA-N 1 0 291.351 1.692 20 5 CDBDRO C[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000422728388 245185127 /nfs/dbraw/zinc/18/51/27/245185127.db2.gz GCNNFXWHTZIVTJ-UHFFFAOYSA-N 1 0 265.313 1.551 20 5 CDBDRO CC1(NCc2ccc([N+](=O)[O-])cc2F)CC[NH2+]CC1 ZINC000414930847 371112375 /nfs/dbraw/zinc/11/23/75/371112375.db2.gz BDEGHCNYADIWAM-UHFFFAOYSA-N 1 0 267.304 1.966 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[C@@H](C)[NH3+] ZINC000422777505 245245941 /nfs/dbraw/zinc/24/59/41/245245941.db2.gz GFIGLVPNSYFBST-SECBINFHSA-N 1 0 281.312 1.461 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)[NH3+] ZINC000422877297 245364099 /nfs/dbraw/zinc/36/40/99/245364099.db2.gz HMSXPJZCDXMWMY-UHFFFAOYSA-N 1 0 281.312 1.461 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](CCO)C2CC2)c1 ZINC000269630400 373193140 /nfs/dbraw/zinc/19/31/40/373193140.db2.gz FHRSAMXNDRQGJF-ZDUSSCGKSA-N 1 0 266.297 1.085 20 5 CDBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000269635533 373244356 /nfs/dbraw/zinc/24/43/56/373244356.db2.gz HGUFBRHZDGWUIY-RISCZKNCSA-N 1 0 280.324 1.597 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[NH2+]CC1CC1 ZINC000037810266 373400215 /nfs/dbraw/zinc/40/02/15/373400215.db2.gz VHYJLLGSQSNIKA-UHFFFAOYSA-N 1 0 277.324 1.553 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](CNc2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000301301188 373504431 /nfs/dbraw/zinc/50/44/31/373504431.db2.gz VCOOUKZBDAJISG-NSHDSACASA-N 1 0 281.360 1.781 20 5 CDBDRO COc1cc(CN2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000347089853 373740806 /nfs/dbraw/zinc/74/08/06/373740806.db2.gz DQNXRCKLTCHUCL-SNVBAGLBSA-N 1 0 295.339 1.393 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CC23CC[NH2+]CC3)cc([N+](=O)[O-])c1 ZINC000368386360 373837032 /nfs/dbraw/zinc/83/70/32/373837032.db2.gz WMGQBTKLFOLJCN-ZDUSSCGKSA-N 1 0 289.335 1.775 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C(N)=O)CC1 ZINC000266534391 373958562 /nfs/dbraw/zinc/95/85/62/373958562.db2.gz NJGQJHCXSARAOR-SNVBAGLBSA-N 1 0 277.324 1.853 20 5 CDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])n1 ZINC000423687994 245982103 /nfs/dbraw/zinc/98/21/03/245982103.db2.gz WFJNCSGZRWDSTE-ZJUUUORDSA-N 1 0 295.343 1.011 20 5 CDBDRO C[NH+](C)CCCC1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000274009539 374064952 /nfs/dbraw/zinc/06/49/52/374064952.db2.gz URUVWRICBVIWDK-UHFFFAOYSA-N 1 0 293.371 1.943 20 5 CDBDRO C[C@H](NC(=O)N(C)C1CC([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000418237740 374259129 /nfs/dbraw/zinc/25/91/29/374259129.db2.gz WIMWEUCCRYJUMJ-FJJSSXBZSA-N 1 0 292.339 1.787 20 5 CDBDRO [NH3+][C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000422940357 374364705 /nfs/dbraw/zinc/36/47/05/374364705.db2.gz SPELUAMETYCKDV-ZDUSSCGKSA-N 1 0 292.339 1.250 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000423843884 246137417 /nfs/dbraw/zinc/13/74/17/246137417.db2.gz LBQFRDXNMQUJBP-PSASIEDQSA-N 1 0 297.742 1.992 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)CC[NH3+] ZINC000423526860 374388103 /nfs/dbraw/zinc/38/81/03/374388103.db2.gz LTSPSUFHUXXNLA-SECBINFHSA-N 1 0 281.312 1.461 20 5 CDBDRO Cc1c(CC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000423528136 374388143 /nfs/dbraw/zinc/38/81/43/374388143.db2.gz NCPIMCANVVSLCZ-YPMHNXCESA-N 1 0 291.351 1.641 20 5 CDBDRO NC(=O)NC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000081542014 374518138 /nfs/dbraw/zinc/51/81/38/374518138.db2.gz WAZYJAQWAAWKIR-UHFFFAOYSA-N 1 0 292.339 1.270 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000376645476 374566596 /nfs/dbraw/zinc/56/65/96/374566596.db2.gz UNQVEXJUMDGHLK-NEPJUHHUSA-N 1 0 293.371 1.244 20 5 CDBDRO C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000070075158 374645822 /nfs/dbraw/zinc/64/58/22/374645822.db2.gz DJSZPGJZMMIYOQ-DTORHVGOSA-N 1 0 255.343 1.839 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000299508556 374677859 /nfs/dbraw/zinc/67/78/59/374677859.db2.gz LXCAZJXTCQCQBC-CYBMUJFWSA-N 1 0 277.324 1.348 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000449589019 374822962 /nfs/dbraw/zinc/82/29/62/374822962.db2.gz JMWRJWJOXJTBHS-GUBZILKMSA-N 1 0 297.380 1.927 20 5 CDBDRO CC(C)[C@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CS1 ZINC000277066155 374770150 /nfs/dbraw/zinc/77/01/50/374770150.db2.gz DNGYNRVQLBGIHX-CMPLNLGQSA-N 1 0 284.385 1.911 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCO)n1 ZINC000331028025 374881997 /nfs/dbraw/zinc/88/19/97/374881997.db2.gz XNRNFTSFFGZQBX-GHMZBOCLSA-N 1 0 268.317 1.247 20 5 CDBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000331989017 374996455 /nfs/dbraw/zinc/99/64/55/374996455.db2.gz NNWYTAFQCUHWJG-WDEREUQCSA-N 1 0 292.339 1.622 20 5 CDBDRO Cc1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000097092616 375146605 /nfs/dbraw/zinc/14/66/05/375146605.db2.gz ROSQAAFMNHIJDS-UWVGGRQHSA-N 1 0 263.297 1.969 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000283567415 375118583 /nfs/dbraw/zinc/11/85/83/375118583.db2.gz ZPVXNAMWGACVHJ-LLVKDONJSA-N 1 0 294.355 1.511 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000296275595 375295799 /nfs/dbraw/zinc/29/57/99/375295799.db2.gz HAEMVDQXWASPQR-SNVBAGLBSA-N 1 0 265.317 1.589 20 5 CDBDRO Cc1c(C(=O)N[C@H](CC[NH3+])C(F)F)cccc1[N+](=O)[O-] ZINC000383438243 375268576 /nfs/dbraw/zinc/26/85/76/375268576.db2.gz DUOJNRDOJVVNDN-SECBINFHSA-N 1 0 287.266 1.616 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCn1cncn1 ZINC000344788138 375445050 /nfs/dbraw/zinc/44/50/50/375445050.db2.gz DOGDRMWQWABKSE-GHXNOFRVSA-N 1 0 287.323 1.879 20 5 CDBDRO C[C@@H]1CSC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000352799988 375540647 /nfs/dbraw/zinc/54/06/47/375540647.db2.gz ZGCPVGLPZNXIML-SCZZXKLOSA-N 1 0 256.331 1.132 20 5 CDBDRO CCC[C@@]1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CCOC1 ZINC000352833291 375541949 /nfs/dbraw/zinc/54/19/49/375541949.db2.gz QZSOTTODRXFYNK-GFCCVEGCSA-N 1 0 268.317 1.377 20 5 CDBDRO COc1ccc(NC(=O)[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000132496250 375506816 /nfs/dbraw/zinc/50/68/16/375506816.db2.gz IJNGWFXGVMZTSX-JTQLQIEISA-N 1 0 279.296 1.684 20 5 CDBDRO Cc1ccc(CN2CCN3C(=O)CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000352865772 375547286 /nfs/dbraw/zinc/54/72/86/375547286.db2.gz DMGYYZUOQXAPBI-ZDUSSCGKSA-N 1 0 289.335 1.710 20 5 CDBDRO CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000132695637 375570942 /nfs/dbraw/zinc/57/09/42/375570942.db2.gz SLKIXUKCJWEGNY-SNVBAGLBSA-N 1 0 283.715 1.682 20 5 CDBDRO COc1cc(C[NH2+][C@@H]2CO[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000574277715 294976550 /nfs/dbraw/zinc/97/65/50/294976550.db2.gz ZLSMKBSWUWXJIN-ONGXEEELSA-N 1 0 296.323 1.879 20 5 CDBDRO CC(C)[C@H](CNc1c([N+](=O)[O-])ncn1C)[NH+]1CCCC1 ZINC000353348113 375599679 /nfs/dbraw/zinc/59/96/79/375599679.db2.gz PBKBOKPUPNBEGW-NSHDSACASA-N 1 0 281.360 1.861 20 5 CDBDRO COc1ccc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000227971032 375658819 /nfs/dbraw/zinc/65/88/19/375658819.db2.gz UTSLKGFMKPZJHX-QMTHXVAHSA-N 1 0 296.323 1.233 20 5 CDBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@](C)(O)C[NH+](C)C ZINC000133036034 375667714 /nfs/dbraw/zinc/66/77/14/375667714.db2.gz GGDXKRCMCAQMJA-AWEZNQCLSA-N 1 0 297.355 1.466 20 5 CDBDRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000164319472 375861519 /nfs/dbraw/zinc/86/15/19/375861519.db2.gz FRFHDXJYVLTQNT-GYKQLYQFSA-N 1 0 262.356 1.513 20 5 CDBDRO CCC[NH2+][C@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000296471079 376178496 /nfs/dbraw/zinc/17/84/96/376178496.db2.gz PNGWJDTUJKZAHV-SNVBAGLBSA-N 1 0 265.313 1.599 20 5 CDBDRO C[C@@H]([NH2+]C1CC1)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000296577905 376525679 /nfs/dbraw/zinc/52/56/79/376525679.db2.gz WNUCADAZZZGPGW-SNVBAGLBSA-N 1 0 277.324 1.694 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCCC(=O)N1 ZINC000433195262 248007627 /nfs/dbraw/zinc/00/76/27/248007627.db2.gz SNMQXKAADXENFO-GFCCVEGCSA-N 1 0 277.324 1.662 20 5 CDBDRO C[C@@H]([NH3+])CCC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000434688347 248128160 /nfs/dbraw/zinc/12/81/60/248128160.db2.gz LFEYWAYQCRYFQI-SNVBAGLBSA-N 1 0 280.328 1.250 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000134271064 378058269 /nfs/dbraw/zinc/05/82/69/378058269.db2.gz BJIMLIJLSGRBAS-VIFPVBQESA-N 1 0 271.704 1.649 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCO[C@H](C(N)=O)C1 ZINC000182718770 378096006 /nfs/dbraw/zinc/09/60/06/378096006.db2.gz UIIFYGWZJTWYJG-GWCFXTLKSA-N 1 0 293.323 1.150 20 5 CDBDRO CCC[N@H+](CC)CCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000266912159 378658959 /nfs/dbraw/zinc/65/89/59/378658959.db2.gz LUFZVXSJTUESIF-UHFFFAOYSA-N 1 0 283.332 1.088 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000173620033 378729169 /nfs/dbraw/zinc/72/91/69/378729169.db2.gz AGIGJCFYWKJPQW-LBPRGKRZSA-N 1 0 291.351 1.975 20 5 CDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000069847261 378914905 /nfs/dbraw/zinc/91/49/05/378914905.db2.gz RYYVAXVWKNRPBP-LLVKDONJSA-N 1 0 296.346 1.782 20 5 CDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(C)(C)C[NH+](C)C ZINC000443535648 250037829 /nfs/dbraw/zinc/03/78/29/250037829.db2.gz UWYKNFBCTOGJEX-SECBINFHSA-N 1 0 282.344 1.629 20 5 CDBDRO CC(C)[C@H](CCO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444671722 250164911 /nfs/dbraw/zinc/16/49/11/250164911.db2.gz DMQWBPOHHNOMJQ-NSHDSACASA-N 1 0 292.339 1.968 20 5 CDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCO1 ZINC000174863647 379596510 /nfs/dbraw/zinc/59/65/10/379596510.db2.gz XHXUZKNIQPDCIX-LBPRGKRZSA-N 1 0 268.317 1.292 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOCCO ZINC000449062438 250674422 /nfs/dbraw/zinc/67/44/22/250674422.db2.gz JMSDADRKKQOPDA-NSHDSACASA-N 1 0 268.313 1.124 20 5 CDBDRO Cn1c(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000458180998 252537690 /nfs/dbraw/zinc/53/76/90/252537690.db2.gz ZDVAVZRCKCGOSH-NSHDSACASA-N 1 0 294.355 1.395 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000268927872 190452623 /nfs/dbraw/zinc/45/26/23/190452623.db2.gz LMXLERSHPWTNPZ-JTQLQIEISA-N 1 0 265.313 1.252 20 5 CDBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(=O)NC ZINC000449771017 251008697 /nfs/dbraw/zinc/00/86/97/251008697.db2.gz GHQAQELUXSYFDW-SNVBAGLBSA-N 1 0 281.312 1.218 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000450613726 251366659 /nfs/dbraw/zinc/36/66/59/251366659.db2.gz MOJLTZPJGGZUGW-LBPRGKRZSA-N 1 0 297.330 1.993 20 5 CDBDRO CC(C)[C@](C)([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000289382998 197321175 /nfs/dbraw/zinc/32/11/75/197321175.db2.gz QFYMZVASYFDWAQ-AWEZNQCLSA-N 1 0 295.339 1.463 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493192885 253395078 /nfs/dbraw/zinc/39/50/78/253395078.db2.gz WODOILMVJPZDRQ-RYEJSQLPSA-N 1 0 267.260 1.211 20 5 CDBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1c([N+](=O)[O-])ncn1C ZINC000505577208 254090064 /nfs/dbraw/zinc/09/00/64/254090064.db2.gz RUJAWBKOBFOEOO-QWRGUYRKSA-N 1 0 281.360 1.861 20 5 CDBDRO C[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[NH+](C)C ZINC000288653807 197137148 /nfs/dbraw/zinc/13/71/48/197137148.db2.gz ZUWUMFHEDSLPDH-QMMMGPOBSA-N 1 0 291.311 1.606 20 5 CDBDRO Cc1nn(CCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000288432231 197076874 /nfs/dbraw/zinc/07/68/74/197076874.db2.gz DKNLYZOWLSQEME-UHFFFAOYSA-N 1 0 252.318 1.976 20 5 CDBDRO Cc1nn(C(C)C)cc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000281343935 195205176 /nfs/dbraw/zinc/20/51/76/195205176.db2.gz MBNCDHPHJXYFEO-UHFFFAOYSA-N 1 0 292.343 1.667 20 5 CDBDRO [NH3+]CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417986881 227371259 /nfs/dbraw/zinc/37/12/59/227371259.db2.gz IUGMITNGBCWKMV-UHFFFAOYSA-N 1 0 286.719 1.049 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000094340193 184784132 /nfs/dbraw/zinc/78/41/32/184784132.db2.gz QPBXYPNXBYFSNM-FKULILBMSA-N 1 0 289.335 1.804 20 5 CDBDRO C[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000394551318 390186403 /nfs/dbraw/zinc/18/64/03/390186403.db2.gz HZKQYJHURVKGNH-ACMYFRETSA-N 1 0 263.297 1.460 20 5 CDBDRO CO[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000281819784 195396601 /nfs/dbraw/zinc/39/66/01/195396601.db2.gz WUPZKWAOPDTHKE-JQWIXIFHSA-N 1 0 268.317 1.291 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000320759949 390508845 /nfs/dbraw/zinc/50/88/45/390508845.db2.gz XBZWVUKKJXOCGG-VHSXEESVSA-N 1 0 265.313 1.379 20 5 CDBDRO CN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000071310006 390484123 /nfs/dbraw/zinc/48/41/23/390484123.db2.gz HHCHZRICIQUIPJ-MRVPVSSYSA-N 1 0 255.299 1.090 20 5 CDBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000451501655 390628553 /nfs/dbraw/zinc/62/85/53/390628553.db2.gz OUXYPRJYFUOEMI-ADEWGFFLSA-N 1 0 282.344 1.440 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)n1 ZINC000451605860 390635543 /nfs/dbraw/zinc/63/55/43/390635543.db2.gz LLYGOLHCYHCJGB-OCCSQVGLSA-N 1 0 294.355 1.178 20 5 CDBDRO C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000430943150 390942547 /nfs/dbraw/zinc/94/25/47/390942547.db2.gz GLRAAFIIZKMQFK-NXEZZACHSA-N 1 0 267.304 1.916 20 5 CDBDRO COc1cccc(C(=O)N(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000192674099 533393304 /nfs/dbraw/zinc/39/33/04/533393304.db2.gz MQCVGDGRPCPLLY-UHFFFAOYSA-N 1 0 281.312 1.237 20 5 CDBDRO C[NH2+]CCCN(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000415140922 391261421 /nfs/dbraw/zinc/26/14/21/391261421.db2.gz ZUGDXVVOUVDADR-UHFFFAOYSA-N 1 0 251.330 1.945 20 5 CDBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000133677962 391313352 /nfs/dbraw/zinc/31/33/52/391313352.db2.gz MOWNRAVAFZZKAN-MRVPVSSYSA-N 1 0 283.715 1.588 20 5 CDBDRO Cc1cc(NC(=O)N2CCO[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000415444618 391441739 /nfs/dbraw/zinc/44/17/39/391441739.db2.gz VKMMHKQLOFQYKY-NSHDSACASA-N 1 0 294.311 1.095 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415628938 391469742 /nfs/dbraw/zinc/46/97/42/391469742.db2.gz HCFFMCRJECFPRV-WPRPVWTQSA-N 1 0 296.302 1.983 20 5 CDBDRO CCC1(CC)[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C[C@@H]1OC ZINC000191386514 391475893 /nfs/dbraw/zinc/47/58/93/391475893.db2.gz FTRCQFPUMCTBIF-RYUDHWBXSA-N 1 0 296.371 1.975 20 5 CDBDRO C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000189728882 130016828 /nfs/dbraw/zinc/01/68/28/130016828.db2.gz KSZBBIGRRKDHLI-GXFFZTMASA-N 1 0 250.298 1.798 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC([NH2+]C3CC3)CC2)s1 ZINC000189987969 130048395 /nfs/dbraw/zinc/04/83/95/130048395.db2.gz BWXSJTJZGDOBAW-UHFFFAOYSA-N 1 0 268.342 1.772 20 5 CDBDRO [NH3+]CCCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237801598 131058530 /nfs/dbraw/zinc/05/85/30/131058530.db2.gz RAEPIJJMDDAAKX-UHFFFAOYSA-N 1 0 292.339 1.274 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000237907981 131064861 /nfs/dbraw/zinc/06/48/61/131064861.db2.gz ONPMSQFHUPLREH-OLZOCXBDSA-N 1 0 291.351 1.771 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000237992742 131070569 /nfs/dbraw/zinc/07/05/69/131070569.db2.gz CQVVMWATLAPMIO-QWRGUYRKSA-N 1 0 293.323 1.217 20 5 CDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[NH2+]C1 ZINC000237994736 131071724 /nfs/dbraw/zinc/07/17/24/131071724.db2.gz RFYFGQHACMMNTP-NSHDSACASA-N 1 0 293.323 1.089 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261711094 131163499 /nfs/dbraw/zinc/16/34/99/131163499.db2.gz PDIQMKOGDVPSNO-OLZOCXBDSA-N 1 0 289.335 1.205 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000261791007 131169020 /nfs/dbraw/zinc/16/90/20/131169020.db2.gz QXNWMPHXSICHCO-LURJTMIESA-N 1 0 257.315 1.302 20 5 CDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000262229081 131203400 /nfs/dbraw/zinc/20/34/00/131203400.db2.gz QEHXVJDPIYFCLB-ZDUSSCGKSA-N 1 0 280.328 1.280 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000262303516 131209585 /nfs/dbraw/zinc/20/95/85/131209585.db2.gz BVECKBKOJUVLEM-UWVGGRQHSA-N 1 0 265.313 1.675 20 5 CDBDRO Cc1cc(C(=O)NCC[C@@H]2CC[NH2+]C2)c(N)c([N+](=O)[O-])c1 ZINC000262566461 131234221 /nfs/dbraw/zinc/23/42/21/131234221.db2.gz DLOVPWGYSLMYQX-JTQLQIEISA-N 1 0 292.339 1.215 20 5 CDBDRO C[NH+]1CCC2(CCCN2C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000549198523 392546809 /nfs/dbraw/zinc/54/68/09/392546809.db2.gz NQWMQAWXXFWCII-UHFFFAOYSA-N 1 0 293.327 1.018 20 5 CDBDRO CC(C)[C@@H]([NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000269055618 132105074 /nfs/dbraw/zinc/10/50/74/132105074.db2.gz GPXDFQYUJQRZBZ-GFCCVEGCSA-N 1 0 265.313 1.237 20 5 CDBDRO C[NH2+]CCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000269188253 132127154 /nfs/dbraw/zinc/12/71/54/132127154.db2.gz NQWUOYSIOLRESH-UHFFFAOYSA-N 1 0 279.340 1.598 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000430231308 393095328 /nfs/dbraw/zinc/09/53/28/393095328.db2.gz BOYFTCBOSPFIBI-CHWSQXEVSA-N 1 0 296.323 1.233 20 5 CDBDRO [NH3+]C[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430954062 393106342 /nfs/dbraw/zinc/10/63/42/393106342.db2.gz DGSYTFLHHXSFRX-LLVKDONJSA-N 1 0 265.313 1.254 20 5 CDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C[NH3+])C1 ZINC000430965396 393107393 /nfs/dbraw/zinc/10/73/93/393107393.db2.gz LEUPPNULZNMIDY-MNOVXSKESA-N 1 0 292.339 1.202 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000449584953 393135421 /nfs/dbraw/zinc/13/54/21/393135421.db2.gz DYMQRLRAJHQCQZ-UWVGGRQHSA-N 1 0 279.340 1.724 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](O)C1 ZINC000449748286 393141880 /nfs/dbraw/zinc/14/18/80/393141880.db2.gz BEBMMEGMIIFTTF-ZMLRMANQSA-N 1 0 250.298 1.639 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000215560343 393199899 /nfs/dbraw/zinc/19/98/99/393199899.db2.gz YHLFJQSPDPVCPZ-JMEBYUIHSA-N 1 0 263.297 1.462 20 5 CDBDRO CC(C)C[NH+]1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193375387 393329147 /nfs/dbraw/zinc/32/91/47/393329147.db2.gz IBIZBNOVNYSYOJ-UHFFFAOYSA-N 1 0 278.356 1.955 20 5 CDBDRO Cc1nc(N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000275369287 135105114 /nfs/dbraw/zinc/10/51/14/135105114.db2.gz NAVFAGSEMKUHAH-WDEREUQCSA-N 1 0 294.355 1.190 20 5 CDBDRO Cc1nn(C)c(NCC2(C)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000227306973 140183995 /nfs/dbraw/zinc/18/39/95/140183995.db2.gz GMBHKFALQCXYME-UHFFFAOYSA-N 1 0 281.360 1.781 20 5 CDBDRO CC1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000229625768 140203324 /nfs/dbraw/zinc/20/33/24/140203324.db2.gz AUFNQMUICIBDEH-UHFFFAOYSA-N 1 0 299.352 1.015 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000261581156 140354639 /nfs/dbraw/zinc/35/46/39/140354639.db2.gz FVQPUQZOYWJZFT-XLDPMVHQSA-N 1 0 266.301 1.039 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000261596577 140360036 /nfs/dbraw/zinc/36/00/36/140360036.db2.gz AIAJQXZPKVSHRJ-JIMOISOXSA-N 1 0 290.323 1.796 20 5 CDBDRO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000261611045 140362719 /nfs/dbraw/zinc/36/27/19/140362719.db2.gz SKWCDYSMOWLVQL-KOLCDFICSA-N 1 0 263.297 1.085 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000261815336 140394533 /nfs/dbraw/zinc/39/45/33/140394533.db2.gz XHTSCPQNCQSYRI-MNOVXSKESA-N 1 0 290.323 1.668 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000127269246 147548732 /nfs/dbraw/zinc/54/87/32/147548732.db2.gz CUKPEMYUMVIDTN-VIFPVBQESA-N 1 0 281.312 1.189 20 5 CDBDRO C[C@@]1(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000129313101 147622161 /nfs/dbraw/zinc/62/21/61/147622161.db2.gz MJUQCAUXNQQLMH-CQSZACIVSA-N 1 0 292.339 1.495 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C(C1CC1)C1CC1 ZINC000174836629 147964427 /nfs/dbraw/zinc/96/44/27/147964427.db2.gz SMLKVZWRKYFPGL-UHFFFAOYSA-N 1 0 264.329 1.912 20 5 CDBDRO C[C@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000311932082 149223565 /nfs/dbraw/zinc/22/35/65/149223565.db2.gz IGGCPMVIGPMKSR-ZDUSSCGKSA-N 1 0 268.288 1.985 20 5 CDBDRO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)C[NH+](C)C ZINC000312550206 149234452 /nfs/dbraw/zinc/23/44/52/149234452.db2.gz RSZMAUMRJVQJEK-VIFPVBQESA-N 1 0 280.328 1.105 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000314986855 149257025 /nfs/dbraw/zinc/25/70/25/149257025.db2.gz RBDIEZOXTARHMU-JTQLQIEISA-N 1 0 294.355 1.834 20 5 CDBDRO [NH3+][C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000346056636 153038264 /nfs/dbraw/zinc/03/82/64/153038264.db2.gz BYJLFFKPKHZOBG-NSHDSACASA-N 1 0 265.313 1.397 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[NH+](C)C ZINC000348167982 153799851 /nfs/dbraw/zinc/79/98/51/153799851.db2.gz NJZACWGJEPLMPM-SECBINFHSA-N 1 0 296.327 1.675 20 5 CDBDRO COC(=O)COc1ccc(C[NH2+]C2CCC2)cc1[N+](=O)[O-] ZINC000353775531 156076440 /nfs/dbraw/zinc/07/64/40/156076440.db2.gz JHYNJHZRNRTBAN-UHFFFAOYSA-N 1 0 294.307 1.789 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC2(C1)CC[NH2+]CC2 ZINC000374515896 160291314 /nfs/dbraw/zinc/29/13/14/160291314.db2.gz XLLIXEGTUZZLFJ-UHFFFAOYSA-N 1 0 295.364 1.872 20 5 CDBDRO C[C@@H](O)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449154495 287079432 /nfs/dbraw/zinc/07/94/32/287079432.db2.gz NNDCRQOGSNSGLN-GHMZBOCLSA-N 1 0 252.314 1.886 20 5 CDBDRO Cc1cccc(N2CC[C@H](N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000261744932 292560895 /nfs/dbraw/zinc/56/08/95/292560895.db2.gz SLLXAUXEFNRGPZ-ZDUSSCGKSA-N 1 0 290.367 1.387 20 5 CDBDRO C[C@@H]([NH2+]CCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037177112 173010819 /nfs/dbraw/zinc/01/08/19/173010819.db2.gz SHJNKIKQFSAHFX-CYBMUJFWSA-N 1 0 293.367 1.968 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000040593895 174348134 /nfs/dbraw/zinc/34/81/34/174348134.db2.gz ROZAKLFRTIQFLI-LLVKDONJSA-N 1 0 277.324 1.666 20 5 CDBDRO O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[NH2+]CCO3)n2)c1 ZINC000043705264 175099004 /nfs/dbraw/zinc/09/90/04/175099004.db2.gz KRTOCTQKYYYUSJ-JTQLQIEISA-N 1 0 276.252 1.306 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000071143901 176041144 /nfs/dbraw/zinc/04/11/44/176041144.db2.gz OGVNKBKDVVIFNX-QMMMGPOBSA-N 1 0 269.326 1.338 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1csc([N+](=O)[O-])c1 ZINC000071396990 176150699 /nfs/dbraw/zinc/15/06/99/176150699.db2.gz AEYBWVDCDCGLPA-MRVPVSSYSA-N 1 0 255.299 1.138 20 5 CDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1cccc(F)c1[N+](=O)[O-] ZINC000078543604 177352309 /nfs/dbraw/zinc/35/23/09/177352309.db2.gz UIJRZZYVQSJPLN-NSHDSACASA-N 1 0 296.346 1.782 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@@H]1CCO ZINC000049801360 424449031 /nfs/dbraw/zinc/44/90/31/424449031.db2.gz RIGXNWWJUWHBBW-GFCCVEGCSA-N 1 0 282.344 1.337 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)C2CCC2)c(F)c1 ZINC000316250901 270329073 /nfs/dbraw/zinc/32/90/73/270329073.db2.gz VHPGNWZCYXJYMM-ZDUSSCGKSA-N 1 0 268.288 1.985 20 5 CDBDRO CC(C)[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000514727326 270406102 /nfs/dbraw/zinc/40/61/02/270406102.db2.gz TUBGLAZNCYBMFY-UHFFFAOYSA-N 1 0 255.274 1.306 20 5 CDBDRO Cc1nc(N2CC[C@H]([NH+]3CCCC3)[C@H]2C)ncc1[N+](=O)[O-] ZINC000295626561 274842505 /nfs/dbraw/zinc/84/25/05/274842505.db2.gz BGUOMPXBYWLTHH-NEPJUHHUSA-N 1 0 291.355 1.756 20 5 CDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ncc([N+](=O)[O-])cn1 ZINC000273696967 276234362 /nfs/dbraw/zinc/23/43/62/276234362.db2.gz CDUOGICHPWVRMN-MNOVXSKESA-N 1 0 277.328 1.448 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000289447295 276642025 /nfs/dbraw/zinc/64/20/25/276642025.db2.gz BGNMHEATZVQCNR-CHWSQXEVSA-N 1 0 289.335 1.872 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418376513 276995567 /nfs/dbraw/zinc/99/55/67/276995567.db2.gz URDMDDOLQFEEGJ-GFCCVEGCSA-N 1 0 292.339 1.488 20 5 CDBDRO CN(c1nc2sccn2c1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000266056144 277004223 /nfs/dbraw/zinc/00/42/23/277004223.db2.gz XZFZCVMAQDPNGB-VIFPVBQESA-N 1 0 295.368 1.834 20 5 CDBDRO CN(c1ncnc2sc([N+](=O)[O-])cc21)[C@H]1CC[NH2+]C1 ZINC000261597880 277005017 /nfs/dbraw/zinc/00/50/17/277005017.db2.gz PAXUTWHHDZWFPZ-ZETCQYMHSA-N 1 0 279.325 1.398 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000040601975 277031766 /nfs/dbraw/zinc/03/17/66/277031766.db2.gz TTXRBXOIDLATMB-SNVBAGLBSA-N 1 0 292.339 1.130 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000071145935 277279811 /nfs/dbraw/zinc/27/98/11/277279811.db2.gz GLARQAIMGFBVRW-NSHDSACASA-N 1 0 292.339 1.075 20 5 CDBDRO COC[C@@H](CO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000280875396 277564880 /nfs/dbraw/zinc/56/48/80/277564880.db2.gz DCWFEWXRLYFVQM-BXUZGUMPSA-N 1 0 280.324 1.569 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(C)C1=O ZINC000449179063 278298853 /nfs/dbraw/zinc/29/88/53/278298853.db2.gz VDKSLVMKCNFGBH-AAEUAGOBSA-N 1 0 291.351 1.736 20 5 CDBDRO CC[NH+](CC)CCN(CCOC)c1ncccc1[N+](=O)[O-] ZINC000177046537 279103155 /nfs/dbraw/zinc/10/31/55/279103155.db2.gz JJMFDFDZSDJJQD-UHFFFAOYSA-N 1 0 296.371 1.784 20 5 CDBDRO CC(C)[N@H+](C)CCCNc1c([N+](=O)[O-])ncn1C ZINC000029624053 279137490 /nfs/dbraw/zinc/13/74/90/279137490.db2.gz ONVJRAZZPSKRQW-UHFFFAOYSA-N 1 0 255.322 1.471 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(O)CCCC1 ZINC000087028749 279253926 /nfs/dbraw/zinc/25/39/26/279253926.db2.gz TUNSESSUFTTZTP-UHFFFAOYSA-N 1 0 280.324 1.998 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[NH2+]Cc2ccccc21 ZINC000430936619 279384658 /nfs/dbraw/zinc/38/46/58/279384658.db2.gz VHTUIXHWWPKGSB-UHFFFAOYSA-N 1 0 287.323 1.438 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H]1C[NH3+] ZINC000261994529 279663570 /nfs/dbraw/zinc/66/35/70/279663570.db2.gz NGJVPUJFCBOHSY-ZANVPECISA-N 1 0 292.339 1.376 20 5 CDBDRO C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])s2)CCC[N@@H+]1C ZINC000337021198 280106920 /nfs/dbraw/zinc/10/69/20/280106920.db2.gz RJLYPBIEIQUAAS-YUMQZZPRSA-N 1 0 256.331 1.946 20 5 CDBDRO CCCc1n[nH]c(C(=O)N2CCC[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000236884008 280144150 /nfs/dbraw/zinc/14/41/50/280144150.db2.gz LSFHYOWUWCYNAH-VIFPVBQESA-N 1 0 295.343 1.081 20 5 CDBDRO C[C@]1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]C1 ZINC000237538342 280179232 /nfs/dbraw/zinc/17/92/32/280179232.db2.gz VPRNMTQDBYMICG-HNNXBMFYSA-N 1 0 289.335 1.479 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229098980 280665182 /nfs/dbraw/zinc/66/51/82/280665182.db2.gz SHBUGVSSEDMSDJ-ONGXEEELSA-N 1 0 264.329 1.719 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000520815686 281056615 /nfs/dbraw/zinc/05/66/15/281056615.db2.gz VXJRWAKBSXCADF-HTQZYQBOSA-N 1 0 266.301 1.033 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1[N+](=O)[O-] ZINC000094340223 281191703 /nfs/dbraw/zinc/19/17/03/281191703.db2.gz BKJFCDLMGKNEDF-PWSUYJOCSA-N 1 0 277.324 1.713 20 5 CDBDRO C[NH+](C)C(C)(C)CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266017608 282015504 /nfs/dbraw/zinc/01/55/04/282015504.db2.gz JEMANDDLHWSGKR-UHFFFAOYSA-N 1 0 279.340 1.594 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000158061792 289300232 /nfs/dbraw/zinc/30/02/32/289300232.db2.gz KZVZNCHAXRXYKK-FVOPLDGLSA-N 1 0 293.298 1.697 20 5 CDBDRO C[NH+](C)CCCCC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000556204699 290258587 /nfs/dbraw/zinc/25/85/87/290258587.db2.gz DMHOALNMFJGFSK-UHFFFAOYSA-N 1 0 293.367 1.985 20 5 CDBDRO CNc1ccc(C(=O)NC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000561936345 293106676 /nfs/dbraw/zinc/10/66/76/293106676.db2.gz ZTLCZMRQWBYBRO-UHFFFAOYSA-N 1 0 278.312 1.118 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CC[NH2+]C1CC1 ZINC000567486676 293794764 /nfs/dbraw/zinc/79/47/64/293794764.db2.gz QRAZLFWJCVLEPD-UHFFFAOYSA-N 1 0 293.323 1.362 20 5 CDBDRO CC(=O)N1CC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000569138425 294166802 /nfs/dbraw/zinc/16/68/02/294166802.db2.gz OARFVVJQJWTDKZ-JTQLQIEISA-N 1 0 277.324 1.785 20 5 CDBDRO O=C1C[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000573732971 294877194 /nfs/dbraw/zinc/87/71/94/294877194.db2.gz ZNOLEONJSTWCIQ-NSHDSACASA-N 1 0 289.335 1.695 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423689129 295362796 /nfs/dbraw/zinc/36/27/96/295362796.db2.gz BZJJWBCVWGLXOD-NXEZZACHSA-N 1 0 292.339 1.424 20 5 CDBDRO Cc1ccnc(N2C[C@@H](C[NH3+])C[C@@H]2C)c1[N+](=O)[O-] ZINC000216228608 302275086 /nfs/dbraw/zinc/27/50/86/302275086.db2.gz LYCKPBUDIVKVHB-VHSXEESVSA-N 1 0 250.302 1.472 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC2CCC1(C[NH3+])CC2 ZINC000563421661 316305076 /nfs/dbraw/zinc/30/50/76/316305076.db2.gz PACNVKSQWVCHNC-UHFFFAOYSA-N 1 0 279.344 1.032 20 5 CDBDRO NC(=O)CC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000578786807 324026571 /nfs/dbraw/zinc/02/65/71/324026571.db2.gz VJYCJYSZUDGTEM-GFCCVEGCSA-N 1 0 289.335 1.827 20 5 CDBDRO CC[C@H](CCO)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578987499 324073966 /nfs/dbraw/zinc/07/39/66/324073966.db2.gz CIDKZVJRBJHLJQ-YPMHNXCESA-N 1 0 298.339 1.085 20 5 CDBDRO CNc1ccc(C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000579241574 324138744 /nfs/dbraw/zinc/13/87/44/324138744.db2.gz CJEIBQNBVZZTQB-ZJUUUORDSA-N 1 0 292.339 1.459 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1N1CC[C@]3(CC[NH2+]C3)C1)CCN2 ZINC000579454896 324189417 /nfs/dbraw/zinc/18/94/17/324189417.db2.gz HNTMSEPOAHHTGM-HNNXBMFYSA-N 1 0 288.351 1.753 20 5 CDBDRO C[N@@H+]1CC[C@](O)(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000579494195 324206708 /nfs/dbraw/zinc/20/67/08/324206708.db2.gz GPACXNCDOVQPQY-ZFWWWQNUSA-N 1 0 291.351 1.238 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000579580817 324221566 /nfs/dbraw/zinc/22/15/66/324221566.db2.gz MYMWKTWHTXKUCZ-FZMZJTMJSA-N 1 0 279.340 1.561 20 5 CDBDRO CC(C)[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000584052120 326908449 /nfs/dbraw/zinc/90/84/49/326908449.db2.gz ONOPFZVXRGBTIC-UHFFFAOYSA-N 1 0 283.303 1.852 20 5 CDBDRO Cc1c([N+](=O)[O-])cc(F)cc1-n1c(C)ncc(C[NH3+])c1=N ZINC001167673595 1159271780 /nfs/dbraw/zinc/27/17/80/1159271780.db2.gz CPYGSRRBNWUWKK-UHFFFAOYSA-N 1 0 291.286 1.475 20 5 CDBDRO Cc1cc(O)c(O[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001218284303 1159491120 /nfs/dbraw/zinc/49/11/20/1159491120.db2.gz UZDYNJMMCKWCED-SECBINFHSA-N 1 0 252.270 1.740 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000148787625 1159861525 /nfs/dbraw/zinc/86/15/25/1159861525.db2.gz AJUMUTPZVSRSCT-QMMMGPOBSA-N 1 0 285.731 1.834 20 5 CDBDRO CC(C)(C)c1cnc(-n2cc(C[NH3+])cn2)c([N+](=O)[O-])c1 ZINC001168257416 1160562749 /nfs/dbraw/zinc/56/27/49/1160562749.db2.gz WGVSKYVPDJXZGD-UHFFFAOYSA-N 1 0 275.312 1.932 20 5 CDBDRO C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000163525799 483170184 /nfs/dbraw/zinc/17/01/84/483170184.db2.gz UUEBVOLALIEWMB-DGCLKSJQSA-N 1 0 291.351 1.581 20 5 CDBDRO Cc1nc(Cl)nc(OC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000234322884 1178217052 /nfs/dbraw/zinc/21/70/52/1178217052.db2.gz FERBADWTSZJMPH-UHFFFAOYSA-N 1 0 286.719 1.820 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365331605 518202103 /nfs/dbraw/zinc/20/21/03/518202103.db2.gz PAVLUZBIFBJZKS-RKDXNWHRSA-N 1 0 265.269 1.012 20 5 CDBDRO CC[NH+]1CCN([C@H](C)CNc2ncccc2[N+](=O)[O-])CC1 ZINC000059389344 521694885 /nfs/dbraw/zinc/69/48/85/521694885.db2.gz XQPBHWYOPPMMJD-GFCCVEGCSA-N 1 0 293.371 1.428 20 5 CDBDRO CC[C@H]1[C@H](C)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000185615341 523435994 /nfs/dbraw/zinc/43/59/94/523435994.db2.gz GFROVFBPSCTIQP-MNOVXSKESA-N 1 0 252.318 1.912 20 5 CDBDRO CCc1n[nH]c(C(=O)N(C)CC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000184501830 523666916 /nfs/dbraw/zinc/66/69/16/523666916.db2.gz QXLMMNNWPUJMEV-UHFFFAOYSA-N 1 0 295.343 1.047 20 5 CDBDRO CNC(=O)CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444009 524068876 /nfs/dbraw/zinc/06/88/76/524068876.db2.gz PWPMUSVZLZRFBR-UHFFFAOYSA-N 1 0 271.704 1.474 20 5 CDBDRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196788 524077824 /nfs/dbraw/zinc/07/78/24/524077824.db2.gz GDJVQJGXFHMXIH-DTWKUNHWSA-N 1 0 294.311 1.090 20 5 CDBDRO C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000068803082 525397189 /nfs/dbraw/zinc/39/71/89/525397189.db2.gz DMCHJNBQTLJVMV-SWLSCSKDSA-N 1 0 292.383 1.491 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1C[NH3+] ZINC000156110201 526088400 /nfs/dbraw/zinc/08/84/00/526088400.db2.gz MJQMZRQLUFBPCB-LLVKDONJSA-N 1 0 299.352 1.015 20 5 CDBDRO Cn1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000054860847 527216635 /nfs/dbraw/zinc/21/66/35/527216635.db2.gz BIWSUNFLNZGBDX-UHFFFAOYSA-N 1 0 261.285 1.056 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373879086 527312895 /nfs/dbraw/zinc/31/28/95/527312895.db2.gz BCEUTSBRIWQXAZ-MFKMUULPSA-N 1 0 290.323 1.122 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(NC[C@H]3C[NH2+]CCO3)ccc2c1 ZINC000157397858 527381301 /nfs/dbraw/zinc/38/13/01/527381301.db2.gz LKDYDXLLSUMOST-GFCCVEGCSA-N 1 0 288.307 1.543 20 5 CDBDRO CCc1nn(C)c(N[C@H](C)[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000091559560 536182677 /nfs/dbraw/zinc/18/26/77/536182677.db2.gz DNUNISHVIHPHLC-ZJUUUORDSA-N 1 0 281.360 1.691 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418609341 536395433 /nfs/dbraw/zinc/39/54/33/536395433.db2.gz FHUSFPLMIKCWGS-SNVBAGLBSA-N 1 0 292.339 1.270 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000261570808 536401267 /nfs/dbraw/zinc/40/12/67/536401267.db2.gz KPHLEQCSVXALGZ-MRVPVSSYSA-N 1 0 251.286 1.241 20 5 CDBDRO C[NH2+][C@H](C)Cc1noc(-c2cc(F)cc([N+](=O)[O-])c2N)n1 ZINC000261757142 536405242 /nfs/dbraw/zinc/40/52/42/536405242.db2.gz MFHJDDUAVXTFBL-ZCFIWIBFSA-N 1 0 295.274 1.517 20 5 CDBDRO COc1ccc(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000269273723 536888163 /nfs/dbraw/zinc/88/81/63/536888163.db2.gz YHXZYGILVHUSRG-WDEREUQCSA-N 1 0 293.323 1.347 20 5 CDBDRO COc1cc(C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000262761291 536888258 /nfs/dbraw/zinc/88/82/58/536888258.db2.gz IMXOJZQKQSHYNU-UWVGGRQHSA-N 1 0 293.323 1.426 20 5 CDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000744348557 576676338 /nfs/dbraw/zinc/67/63/38/576676338.db2.gz UWFKTNNHGXCZPN-VIFPVBQESA-N 1 0 283.353 1.870 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H](CCO)C2)c1 ZINC000750050084 576973738 /nfs/dbraw/zinc/97/37/38/576973738.db2.gz ALANKIOREVJXIE-IUODEOHRSA-N 1 0 294.351 1.723 20 5 CDBDRO C[C@H]1COCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750117454 576976432 /nfs/dbraw/zinc/97/64/32/576976432.db2.gz WCBLSUDOLFXBKK-FZMZJTMJSA-N 1 0 280.324 1.739 20 5 CDBDRO O=[N+]([O-])c1ccccc1CCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925514469 617421702 /nfs/dbraw/zinc/42/17/02/617421702.db2.gz ONOULVFHUTXLLZ-UNPMEBSKSA-N 1 0 287.363 1.723 20 5 CDBDRO CC(C)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589349 613896389 /nfs/dbraw/zinc/89/63/89/613896389.db2.gz UIIARXMENICLSA-XJFOESAGSA-N 1 0 295.383 1.230 20 5 CDBDRO Cc1ccc(CNC(=O)N[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000892537712 617485515 /nfs/dbraw/zinc/48/55/15/617485515.db2.gz ZFYSDDWRWSLUJT-AWEZNQCLSA-N 1 0 292.339 1.454 20 5 CDBDRO CCC[NH+]1CCC(CNc2c([N+](=O)[O-])cnn2C)CC1 ZINC000892166815 617521359 /nfs/dbraw/zinc/52/13/59/617521359.db2.gz OMDYWBSLQJUJFO-UHFFFAOYSA-N 1 0 281.360 1.862 20 5 CDBDRO COCCC[N@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891817976 617608458 /nfs/dbraw/zinc/60/84/58/617608458.db2.gz GTYWGEUKZGGMGZ-UHFFFAOYSA-N 1 0 284.312 1.777 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]1CO ZINC000934021902 617861059 /nfs/dbraw/zinc/86/10/59/617861059.db2.gz SCOITXDOBRBDED-GFCCVEGCSA-N 1 0 293.323 1.298 20 5 CDBDRO CC1(C)CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000148073543 617946137 /nfs/dbraw/zinc/94/61/37/617946137.db2.gz CZTJRLPZFDXSIM-UHFFFAOYSA-N 1 0 281.287 1.558 20 5 CDBDRO CC[C@]1(O)CC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000893719316 617971815 /nfs/dbraw/zinc/97/18/15/617971815.db2.gz LGLSTNUOMDGQHK-AWEZNQCLSA-N 1 0 296.323 1.656 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000894778734 619053779 /nfs/dbraw/zinc/05/37/79/619053779.db2.gz RCHLXEJMSIROET-AOOOYVTPSA-N 1 0 256.689 1.861 20 5 CDBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1F)[C@H]1C[N@H+](C)CCN1C ZINC000895245406 619486432 /nfs/dbraw/zinc/48/64/32/619486432.db2.gz ASXSLXJZOAKESP-IINYFYTJSA-N 1 0 296.346 1.780 20 5 CDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(N)CC1 ZINC000902418744 624784170 /nfs/dbraw/zinc/78/41/70/624784170.db2.gz ZHMRCJCPEIFKLQ-LLVKDONJSA-N 1 0 263.341 1.997 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000905066660 626614554 /nfs/dbraw/zinc/61/45/54/626614554.db2.gz DFJUSEUQEDCHAZ-LLVKDONJSA-N 1 0 267.304 1.518 20 5 CDBDRO Cc1ccc(N2CCC[C@@H]([NH2+]CC[N+](=O)[O-])C2)cc1 ZINC000905140962 626653208 /nfs/dbraw/zinc/65/32/08/626653208.db2.gz ZGQLLVSSARTSOB-CYBMUJFWSA-N 1 0 263.341 1.830 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000905278523 626733049 /nfs/dbraw/zinc/73/30/49/626733049.db2.gz IFGQNFUNOBWESW-NEPJUHHUSA-N 1 0 251.286 1.168 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000905367767 626786455 /nfs/dbraw/zinc/78/64/55/626786455.db2.gz VCRQLSVGCKWKKY-STQMWFEESA-N 1 0 268.288 1.158 20 5 CDBDRO CC[N@@H+]1CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](C)C1 ZINC000910271517 628945194 /nfs/dbraw/zinc/94/51/94/628945194.db2.gz RVGZTDFIJCLNOJ-LBPRGKRZSA-N 1 0 285.388 1.765 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000493916904 631372109 /nfs/dbraw/zinc/37/21/09/631372109.db2.gz NSZNNKGQVRKTBQ-DTWKUNHWSA-N 1 0 281.312 1.203 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](O)c2ccco2)cc1 ZINC000914795468 631574190 /nfs/dbraw/zinc/57/41/90/631574190.db2.gz MXJPXRAPQDYBJR-OLZOCXBDSA-N 1 0 292.291 1.544 20 5 CDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000915622644 631778227 /nfs/dbraw/zinc/77/82/27/631778227.db2.gz CVDZDMXBDGYHKO-CYBMUJFWSA-N 1 0 293.367 1.840 20 5 CDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000915625615 631780084 /nfs/dbraw/zinc/78/00/84/631780084.db2.gz VNVDDKOERRQXFW-VIFPVBQESA-N 1 0 285.369 1.972 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC000154128789 632053874 /nfs/dbraw/zinc/05/38/74/632053874.db2.gz UNYOCLGPXVONRC-NXEZZACHSA-N 1 0 295.314 1.865 20 5 CDBDRO Cc1cc(=O)n(C[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000917221605 632177791 /nfs/dbraw/zinc/17/77/91/632177791.db2.gz YUJKFKCQKJEQJT-SNVBAGLBSA-N 1 0 251.286 1.159 20 5 CDBDRO COc1ccc(C[C@H](C)N2CC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001170295212 1162327751 /nfs/dbraw/zinc/32/77/51/1162327751.db2.gz BBOGUZNRSZYHFD-JQWIXIFHSA-N 1 0 279.340 1.567 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC001170294826 1162328147 /nfs/dbraw/zinc/32/81/47/1162328147.db2.gz CYTTYWJRULCXAJ-DGCLKSJQSA-N 1 0 293.367 1.828 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]CCN(C)C)c([N+](=O)[O-])c1 ZINC001170290424 1162333413 /nfs/dbraw/zinc/33/34/13/1162333413.db2.gz CBUHLFZAJSXAJF-NSHDSACASA-N 1 0 281.356 1.686 20 5 CDBDRO COc1cc(NCCN(C)CC[NH3+])cc([N+](=O)[O-])c1C ZINC001170502763 1162664947 /nfs/dbraw/zinc/66/49/47/1162664947.db2.gz NBMGWKWOMWQIDS-UHFFFAOYSA-N 1 0 282.344 1.214 20 5 CDBDRO CC(C)N(c1cccc([N+](=O)[O-])n1)[C@H]1CC[NH2+]C1 ZINC001158023171 1162682613 /nfs/dbraw/zinc/68/26/13/1162682613.db2.gz UTMNGJOQLSQMJL-JTQLQIEISA-N 1 0 250.302 1.567 20 5 CDBDRO COc1cc(-n2ccc([C@@H](C)[NH3+])n2)ncc1[N+](=O)[O-] ZINC001158348884 1162900124 /nfs/dbraw/zinc/90/01/24/1162900124.db2.gz MLEJAPBPXZURFL-SSDOTTSWSA-N 1 0 263.257 1.204 20 5 CDBDRO C[C@H](Nc1c(Cl)nccc1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001170565185 1162930320 /nfs/dbraw/zinc/93/03/20/1162930320.db2.gz UGOBGXZHTDPKIL-IONNQARKSA-N 1 0 286.719 1.432 20 5 CDBDRO CCOc1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@H]1C[NH2+]CCO1 ZINC001170568752 1162947813 /nfs/dbraw/zinc/94/78/13/1162947813.db2.gz PBIVNVRYIIRDGF-IINYFYTJSA-N 1 0 295.339 1.782 20 5 CDBDRO C[C@H](Nc1cc2cc[nH]c2c([N+](=O)[O-])c1)[C@@H]1C[NH2+]CCO1 ZINC001170571086 1162958488 /nfs/dbraw/zinc/95/84/88/1162958488.db2.gz XYMIIRXCWPMEMP-ZANVPECISA-N 1 0 290.323 1.865 20 5 CDBDRO NC(=[NH2+])c1nccn1-c1cc2cccnc2c([N+](=O)[O-])c1 ZINC001168417459 1161035477 /nfs/dbraw/zinc/03/54/77/1161035477.db2.gz FYZCQWXTAIECPD-UHFFFAOYSA-N 1 0 282.263 1.613 20 5 CDBDRO O=C(CN[C@@H]1CC[C@H](C[N+](=O)[O-])C1)OCc1ccccc1 ZINC001168966806 1161996292 /nfs/dbraw/zinc/99/62/92/1161996292.db2.gz LGGGGFCPJJTWNH-UONOGXRCSA-N 1 0 292.335 1.765 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001168967724 1161996490 /nfs/dbraw/zinc/99/64/90/1161996490.db2.gz SQDSYMBEEOOXIO-JOYOIKCWSA-N 1 0 253.277 1.756 20 5 CDBDRO Cc1nc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC001155622535 1167264629 /nfs/dbraw/zinc/26/46/29/1167264629.db2.gz ZMTQTDHQVMLRIS-SMDDNHRTSA-N 1 0 292.339 1.621 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)n1 ZINC001155623946 1167266103 /nfs/dbraw/zinc/26/61/03/1167266103.db2.gz ULLCKRWXZPHDCA-MFKMUULPSA-N 1 0 293.327 1.016 20 5 CDBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000063167749 1169104862 /nfs/dbraw/zinc/10/48/62/1169104862.db2.gz YTJVXWYPDJGVQC-VIFPVBQESA-N 1 0 267.285 1.402 20 5 CDBDRO COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H](C)C[NH3+])c2c1 ZINC001579258567 1172128051 /nfs/dbraw/zinc/12/80/51/1172128051.db2.gz JRABWIWTWZKZSN-VIFPVBQESA-N 1 0 290.323 1.580 20 5 CDBDRO C[C@@H](NC(=O)NC(C)(C)C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001579410687 1172170452 /nfs/dbraw/zinc/17/04/52/1172170452.db2.gz CFUDYZRIZBWAQW-SECBINFHSA-N 1 0 280.328 1.692 20 5 CDBDRO C[C@H](NC(=O)C[C@H]([NH3+])C1CC1)c1ccccc1[N+](=O)[O-] ZINC001579481366 1172194723 /nfs/dbraw/zinc/19/47/23/1172194723.db2.gz ZHFHZHBSJDODCV-CABZTGNLSA-N 1 0 277.324 1.899 20 5 CDBDRO Cc1cc(C(=O)N(C)C[C@H]2CC[NH2+]2)ccc1[N+](=O)[O-] ZINC001579556956 1172211170 /nfs/dbraw/zinc/21/11/70/1172211170.db2.gz QXIZXFNZOVXXNF-LLVKDONJSA-N 1 0 263.297 1.337 20 5 CDBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@H]2CC[NH2+]C[C@H]21 ZINC001579608686 1172223697 /nfs/dbraw/zinc/22/36/97/1172223697.db2.gz UBMQGFITLKKYEJ-NOZJJQNGSA-N 1 0 293.298 1.476 20 5 CDBDRO NC(=O)c1cc(N[C@@H]2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001580101044 1172347489 /nfs/dbraw/zinc/34/74/89/1172347489.db2.gz KRAIJHFBHQRFCJ-SECBINFHSA-N 1 0 278.312 1.248 20 5 CDBDRO [NH3+]CCCC(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001580289966 1172395338 /nfs/dbraw/zinc/39/53/38/1172395338.db2.gz ZXQHKBTYDWDAAS-UHFFFAOYSA-N 1 0 274.280 1.820 20 5 CDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1CC[NH2+]C[C@@H]1F ZINC001580574553 1172472269 /nfs/dbraw/zinc/47/22/69/1172472269.db2.gz SEERHTDPAMREMS-WDEREUQCSA-N 1 0 299.277 1.093 20 5 CDBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNC2C[NH2+]C2)o1 ZINC001580875235 1172559072 /nfs/dbraw/zinc/55/90/72/1172559072.db2.gz GAEWJPVWVCVMQI-UHFFFAOYSA-N 1 0 273.292 1.916 20 5 CDBDRO CCN(c1ncnc2ccc([N+](=O)[O-])cc21)[C@H]1CC[NH2+]C1 ZINC000081590575 1173112301 /nfs/dbraw/zinc/11/23/01/1173112301.db2.gz AATUXWDRKUQGCX-NSHDSACASA-N 1 0 287.323 1.726 20 5 CDBDRO Cc1cnc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000408068095 719154105 /nfs/dbraw/zinc/15/41/05/719154105.db2.gz RKRZROQHNRARDO-MNOVXSKESA-N 1 0 264.329 1.827 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001165035489 721888571 /nfs/dbraw/zinc/88/85/71/721888571.db2.gz NMECHAAXVIVXDO-SECBINFHSA-N 1 0 295.299 1.428 20 5 CDBDRO CCN(CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000886854163 837524213 /nfs/dbraw/zinc/52/42/13/837524213.db2.gz CZNISLJVBFCTHQ-ZDUSSCGKSA-N 1 0 279.340 1.657 20 5 CDBDRO C[C@H](NC(=O)C[C@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000123765127 837592173 /nfs/dbraw/zinc/59/21/73/837592173.db2.gz URIMIUOGPQKPDH-ZANVPECISA-N 1 0 277.324 1.899 20 5 CDBDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000791054216 837757308 /nfs/dbraw/zinc/75/73/08/837757308.db2.gz YSLYYYOWNITHDJ-RYUDHWBXSA-N 1 0 271.361 1.280 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000866252781 837811951 /nfs/dbraw/zinc/81/19/51/837811951.db2.gz PUXHJORDFLQRLM-JOYOIKCWSA-N 1 0 295.314 1.485 20 5 CDBDRO C[C@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000832949745 837824015 /nfs/dbraw/zinc/82/40/15/837824015.db2.gz OBUJXHWPIXWZLP-GFCCVEGCSA-N 1 0 297.399 1.765 20 5 CDBDRO O=C(NCCC[NH+]1CCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000038102923 835772507 /nfs/dbraw/zinc/77/25/07/835772507.db2.gz QHUCSHCGWJWFRJ-UHFFFAOYSA-N 1 0 295.314 1.950 20 5 CDBDRO C[N@H+](CCNc1sccc1[N+](=O)[O-])CCOCCO ZINC000882951545 835882065 /nfs/dbraw/zinc/88/20/65/835882065.db2.gz KAPXFOPNEOEPRD-UHFFFAOYSA-N 1 0 289.357 1.009 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCn2cccc2C1 ZINC000932527070 835918373 /nfs/dbraw/zinc/91/83/73/835918373.db2.gz VUYKWWRJHCQCCU-UHFFFAOYSA-N 1 0 275.312 1.417 20 5 CDBDRO Cc1c(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000873119862 836049028 /nfs/dbraw/zinc/04/90/28/836049028.db2.gz QFMHPMNOIPRSEP-KGLIPLIRSA-N 1 0 294.351 1.638 20 5 CDBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839568133 836096242 /nfs/dbraw/zinc/09/62/42/836096242.db2.gz NQRZXNHAALHCGA-FDYHWXHSSA-N 1 0 297.399 1.524 20 5 CDBDRO C[NH+](C)CC[C@@H](N)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000844919210 836224511 /nfs/dbraw/zinc/22/45/11/836224511.db2.gz IBZRERMQVMSBMO-SECBINFHSA-N 1 0 285.348 1.009 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000702065885 836251078 /nfs/dbraw/zinc/25/10/78/836251078.db2.gz LARONBHPDTUCDU-VIFPVBQESA-N 1 0 283.715 1.682 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H](CO)C1CCOCC1 ZINC000782528565 836367974 /nfs/dbraw/zinc/36/79/74/836367974.db2.gz AIEQKRWZIUXFFD-ZDUSSCGKSA-N 1 0 298.314 1.611 20 5 CDBDRO Cc1nn(CN2CC[C@@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000779861618 836494260 /nfs/dbraw/zinc/49/42/60/836494260.db2.gz XHRMDCGFAGLJOZ-CYBMUJFWSA-N 1 0 293.371 1.617 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000123585417 836602052 /nfs/dbraw/zinc/60/20/52/836602052.db2.gz CNGWBLILTQGIQP-LBPRGKRZSA-N 1 0 267.304 1.918 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(CCC[NH3+])n2)c1 ZINC000843223231 836651981 /nfs/dbraw/zinc/65/19/81/836651981.db2.gz MSCJFEZJHTZAQH-UHFFFAOYSA-N 1 0 292.295 1.469 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)C[C@@H](C)[NH3+] ZINC000310910296 836880380 /nfs/dbraw/zinc/88/03/80/836880380.db2.gz OWGOFTIUQMVXBI-SECBINFHSA-N 1 0 251.286 1.322 20 5 CDBDRO C[C@H](CNc1ccnc(F)c1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000881908387 836890008 /nfs/dbraw/zinc/89/00/08/836890008.db2.gz OMNKMAPZFSLQHU-SNVBAGLBSA-N 1 0 297.334 1.177 20 5 CDBDRO Cc1nn(C)c(N[C@H](C)[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000050163946 836906062 /nfs/dbraw/zinc/90/60/62/836906062.db2.gz VQVZWQJRLMSYGQ-PSASIEDQSA-N 1 0 267.333 1.437 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCn2ccnc2)cc1 ZINC000105909050 836970995 /nfs/dbraw/zinc/97/09/95/836970995.db2.gz BTJHEKGQCRONNO-CYBMUJFWSA-N 1 0 276.296 1.115 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)C[C@H]2CCCO2)cc1 ZINC000886231925 837020030 /nfs/dbraw/zinc/02/00/30/837020030.db2.gz NFRMTAJISKDEKG-TZMCWYRMSA-N 1 0 280.324 1.614 20 5 CDBDRO O=[N+]([O-])c1cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1Cl ZINC000131236875 837098344 /nfs/dbraw/zinc/09/83/44/837098344.db2.gz VWVCBDUZEMTBRI-QWRGUYRKSA-N 1 0 281.743 1.899 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818019327 837118680 /nfs/dbraw/zinc/11/86/80/837118680.db2.gz VPIJAQVZRBQNQU-HNNXBMFYSA-N 1 0 289.335 1.871 20 5 CDBDRO CC[C@H](CSC)N(C)Cn1nccc1[N+](=O)[O-] ZINC000179783872 837128612 /nfs/dbraw/zinc/12/86/12/837128612.db2.gz FYFDBKZQBKCLNF-SECBINFHSA-N 1 0 258.347 1.822 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000886274035 837149171 /nfs/dbraw/zinc/14/91/71/837149171.db2.gz LBKCYRXMGBFYGP-KGYLQXTDSA-N 1 0 277.324 1.583 20 5 CDBDRO CCC[C@H]1C[NH2+]CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923331672 837204506 /nfs/dbraw/zinc/20/45/06/837204506.db2.gz NMVFATKMOAHEGW-GJZGRUSLSA-N 1 0 293.367 1.702 20 5 CDBDRO CCC[C@H](CCO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000716971032 837309396 /nfs/dbraw/zinc/30/93/96/837309396.db2.gz MTYWOHONIVLSLT-TZMCWYRMSA-N 1 0 282.340 1.769 20 5 CDBDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000877633543 837357823 /nfs/dbraw/zinc/35/78/23/837357823.db2.gz APICYKGEPVFKEZ-TXEJJXNPSA-N 1 0 278.308 1.944 20 5 CDBDRO CCn1nccc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809734547 837840228 /nfs/dbraw/zinc/84/02/28/837840228.db2.gz JIGKSCPJXXVGIY-UHFFFAOYSA-N 1 0 289.339 1.777 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(=O)N(C)C ZINC000873007770 837887110 /nfs/dbraw/zinc/88/71/10/837887110.db2.gz FDOHJWZCHNWKJN-UHFFFAOYSA-N 1 0 265.313 1.389 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000843356680 837943570 /nfs/dbraw/zinc/94/35/70/837943570.db2.gz VOIIPMHUKWYIQR-CYBMUJFWSA-N 1 0 290.367 1.326 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccnc(F)c3[N+](=O)[O-])C[C@@H]21 ZINC000882422385 837988466 /nfs/dbraw/zinc/98/84/66/837988466.db2.gz RYMJTQUJTDUWAK-SCZZXKLOSA-N 1 0 266.276 1.269 20 5 CDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000853646454 838801964 /nfs/dbraw/zinc/80/19/64/838801964.db2.gz SJVMEPPPIUDCDE-WDEREUQCSA-N 1 0 289.339 1.771 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@]1(O)CCO[C@H]1C ZINC000873116529 838886913 /nfs/dbraw/zinc/88/69/13/838886913.db2.gz IUJHKASXMAYCDY-WFASDCNBSA-N 1 0 294.351 1.841 20 5 CDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839535923 838898072 /nfs/dbraw/zinc/89/80/72/838898072.db2.gz KQDZKIVDNHBNLZ-FDYHWXHSSA-N 1 0 283.372 1.136 20 5 CDBDRO Cc1cnc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000252513114 839247423 /nfs/dbraw/zinc/24/74/23/839247423.db2.gz KRBCUDIMASFGPW-NWDGAFQWSA-N 1 0 292.339 1.573 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000843503962 839426678 /nfs/dbraw/zinc/42/66/78/839426678.db2.gz NAXXDGVEGJJJAI-HTQZYQBOSA-N 1 0 266.301 1.033 20 5 CDBDRO CN(CC[NH3+])C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702057679 839457092 /nfs/dbraw/zinc/45/70/92/839457092.db2.gz YVLBZWWKLPRSLT-UHFFFAOYSA-N 1 0 257.677 1.279 20 5 CDBDRO CC[C@H]([NH3+])CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817979854 839717661 /nfs/dbraw/zinc/71/76/61/839717661.db2.gz PUBKKYJDHYPKPN-SCZZXKLOSA-N 1 0 252.318 1.565 20 5 CDBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2C[NH2+]CCCO2)cc1Cl ZINC000841087229 839818180 /nfs/dbraw/zinc/81/81/80/839818180.db2.gz RWCCPWPXKTVWGE-NSHDSACASA-N 1 0 299.758 1.716 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000089090806 839824803 /nfs/dbraw/zinc/82/48/03/839824803.db2.gz PVNMNALHKVOMRO-AAEUAGOBSA-N 1 0 277.324 1.381 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000886194773 839928658 /nfs/dbraw/zinc/92/86/58/839928658.db2.gz ZEDPUZCNKZOWKD-AWEZNQCLSA-N 1 0 277.324 1.992 20 5 CDBDRO Cn1c(C(=O)O[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000810843901 839932297 /nfs/dbraw/zinc/93/22/97/839932297.db2.gz YNTKKOOZXJONBN-QWRGUYRKSA-N 1 0 293.323 1.717 20 5 CDBDRO COCc1cc([N+](=O)[O-])ccc1N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000828987779 839968819 /nfs/dbraw/zinc/96/88/19/839968819.db2.gz LAWGDOUCXROULC-XHDPSFHLSA-N 1 0 291.351 1.882 20 5 CDBDRO COC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819216387 840266695 /nfs/dbraw/zinc/26/66/95/840266695.db2.gz FYUFDRVCPAHKEB-ZDUSSCGKSA-N 1 0 280.324 1.787 20 5 CDBDRO COC[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1C)OC ZINC000234711802 840266880 /nfs/dbraw/zinc/26/68/80/840266880.db2.gz XSNFIXRBUJSNGR-GFCCVEGCSA-N 1 0 268.313 1.654 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089091050 840275777 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20 5 CDBDRO CCOC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168975194 927599585 /nfs/dbraw/zinc/59/95/85/927599585.db2.gz UNRYHPWFTODVNX-HBNTYKKESA-N 1 0 258.318 1.363 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2(c3cnccn3)CC2)C1 ZINC001168992491 927601004 /nfs/dbraw/zinc/60/10/04/927601004.db2.gz KCKJXCJADTUZDX-NWDGAFQWSA-N 1 0 276.340 1.543 20 5 CDBDRO [NH3+][C@H]1CCc2nn([C@H]3CC[C@@H](C[N+](=O)[O-])C3)cc2C1 ZINC001168993224 927601528 /nfs/dbraw/zinc/60/15/28/927601528.db2.gz MAWKHRDUNKGEIF-USWWRNFRSA-N 1 0 264.329 1.317 20 5 CDBDRO C[C@@]1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@@H](O)CC1 ZINC001169001293 927605168 /nfs/dbraw/zinc/60/51/68/927605168.db2.gz FJUBSCPRUCQBFU-YVECIDJPSA-N 1 0 256.346 1.715 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(c3cnccn3)CC2)C1 ZINC001169005767 927608520 /nfs/dbraw/zinc/60/85/20/927608520.db2.gz CWSPFGLCYOMHBO-STQMWFEESA-N 1 0 291.355 1.044 20 5 CDBDRO [NH3+]C[C@H](CO)c1ccc(N[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169004173 927609075 /nfs/dbraw/zinc/60/90/75/927609075.db2.gz QJPDXUKKYNUOFV-NJZAAPMLSA-N 1 0 293.367 1.579 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc3n(n2)CCCO3)C1 ZINC001169007590 927612426 /nfs/dbraw/zinc/61/24/26/927612426.db2.gz OIVDUSOUTBKDSW-MNOVXSKESA-N 1 0 280.328 1.201 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCc3cnccc3C2)C1 ZINC001169008682 927615139 /nfs/dbraw/zinc/61/51/39/927615139.db2.gz TVYNVJXTWSAHLL-BXUZGUMPSA-N 1 0 261.325 1.885 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(CC2)OCCO3)C1 ZINC001169010570 927617093 /nfs/dbraw/zinc/61/70/93/927617093.db2.gz DSYKFRZGDXGAQN-NEPJUHHUSA-N 1 0 270.329 1.271 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](n2cnc3c2C[NH2+]CC3)C1 ZINC001169010700 927617615 /nfs/dbraw/zinc/61/76/15/927617615.db2.gz FQPZSCQAXWEXBE-NXEZZACHSA-N 1 0 250.302 1.147 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CC3(C2)CCCOC3)C1 ZINC001169012988 927619067 /nfs/dbraw/zinc/61/90/67/927619067.db2.gz SROAQKDNHYCBHP-VXGBXAGGSA-N 1 0 254.330 1.544 20 5 CDBDRO CCOC(=O)C(C)(C)C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168988230 927625397 /nfs/dbraw/zinc/62/53/97/927625397.db2.gz PJNADCOUVKDSGY-QWRGUYRKSA-N 1 0 272.345 1.611 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3nccnc32)C1 ZINC001168990005 927630308 /nfs/dbraw/zinc/63/03/08/927630308.db2.gz ALYUBDYGKTXLBN-MDZLAQPJSA-N 1 0 276.340 1.889 20 5 CDBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169027009 927632514 /nfs/dbraw/zinc/63/25/14/927632514.db2.gz OQXIVCUSIMZBSI-XQQFMLRXSA-N 1 0 283.372 1.232 20 5 CDBDRO CCN(CC)[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169036496 927644056 /nfs/dbraw/zinc/64/40/56/927644056.db2.gz GBSHLYWVUQCONX-MGPQQGTHSA-N 1 0 269.389 1.848 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3OCC[C@@H]3C2)C1 ZINC001169039090 927649942 /nfs/dbraw/zinc/64/99/42/927649942.db2.gz MYZWQPOCGSMXOX-NDBYEHHHSA-N 1 0 254.330 1.543 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCOC3(CCOCC3)C2)C1 ZINC001169039519 927650666 /nfs/dbraw/zinc/65/06/66/927650666.db2.gz QVOUUTYJXYOSFI-CHWSQXEVSA-N 1 0 284.356 1.313 20 5 CDBDRO C[C@@H]1CN(C2C[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C[C@@H](C)O1 ZINC001169053114 927673179 /nfs/dbraw/zinc/67/31/79/927673179.db2.gz HMLNHJAGTCXHOJ-AAVRWANBSA-N 1 0 297.399 1.225 20 5 CDBDRO C[C@@H]([NH3+])Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001206000211 927743151 /nfs/dbraw/zinc/74/31/51/927743151.db2.gz IKRDOKCLTBGFFL-RXMQYKEDSA-N 1 0 267.220 1.069 20 5 CDBDRO COc1cc([N+](=O)[O-])c(-n2ccc([C@H](C)[NH3+])n2)cc1F ZINC001169232225 927839898 /nfs/dbraw/zinc/83/98/98/927839898.db2.gz BBQFARMLYLFJJS-ZETCQYMHSA-N 1 0 280.259 1.948 20 5 CDBDRO Cc1c[n+]([O-])c(NCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC001169558638 928174337 /nfs/dbraw/zinc/17/43/37/928174337.db2.gz KXBDWLZYWLROMW-SNVBAGLBSA-N 1 0 266.301 1.091 20 5 CDBDRO C[NH+](C)CCC(C)(C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001169718225 928375912 /nfs/dbraw/zinc/37/59/12/928375912.db2.gz PXJOQWJWZPPBBL-UHFFFAOYSA-N 1 0 295.343 1.231 20 5 CDBDRO [NH3+]CCc1nccn1-c1ncnc2cccc([N+](=O)[O-])c21 ZINC001156483526 928658585 /nfs/dbraw/zinc/65/85/85/928658585.db2.gz PJMBBXYMQWULKW-UHFFFAOYSA-N 1 0 284.279 1.225 20 5 CDBDRO Cc1cc(Cl)nc(NC(=N)SCC[NH3+])c1[N+](=O)[O-] ZINC001157128097 929205393 /nfs/dbraw/zinc/20/53/93/929205393.db2.gz AGJVJOWEYOTPJM-UHFFFAOYSA-N 1 0 289.748 1.990 20 5 CDBDRO COC(=O)Cc1ccc(N(C)C(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC001170059349 929237203 /nfs/dbraw/zinc/23/72/03/929237203.db2.gz HBYHLMPLZRJATA-UHFFFAOYSA-N 1 0 295.339 1.484 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH3+])c1C ZINC000884251821 930499964 /nfs/dbraw/zinc/49/99/64/930499964.db2.gz SVYAIVDWMZUXCX-MRVPVSSYSA-N 1 0 251.286 1.289 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1cc([N+](=O)[O-])ccc1Cl ZINC001170865876 930534084 /nfs/dbraw/zinc/53/40/84/930534084.db2.gz RMDOAIVKGCDKOP-SNVBAGLBSA-N 1 0 259.693 1.717 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818002698 930653281 /nfs/dbraw/zinc/65/32/81/930653281.db2.gz CWZADYUNMPSLPE-NSHDSACASA-N 1 0 280.328 1.280 20 5 CDBDRO C[NH2+]CCc1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000822863374 931215960 /nfs/dbraw/zinc/21/59/60/931215960.db2.gz QQTNSMSCAPDOIM-UHFFFAOYSA-N 1 0 276.296 1.639 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001118060305 937586602 /nfs/dbraw/zinc/58/66/02/937586602.db2.gz YHVRLYXPCADKSY-QMTHXVAHSA-N 1 0 289.335 1.825 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC001118205062 937602537 /nfs/dbraw/zinc/60/25/37/937602537.db2.gz HKPVXJNBFLDWSJ-BDAKNGLRSA-N 1 0 280.328 1.492 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC[C@H]1CCC[NH2+]C[C@H]1C ZINC001155035001 937624449 /nfs/dbraw/zinc/62/44/49/937624449.db2.gz ZVJPWEPXTZCADP-ZYHUDNBSSA-N 1 0 294.355 1.584 20 5 CDBDRO C[C@@H]([NH2+]CCNc1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC001120559253 937809914 /nfs/dbraw/zinc/80/99/14/937809914.db2.gz PRFHKWFZRGXJPB-ZJUUUORDSA-N 1 0 253.302 1.366 20 5 CDBDRO C[C@H](CC[NH+](C)C)Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001120889305 937844967 /nfs/dbraw/zinc/84/49/67/937844967.db2.gz LRSIABSAOWZMTM-MRVPVSSYSA-N 1 0 253.306 1.324 20 5 CDBDRO C[N@@H+]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C(C)(C)C1 ZINC001156597657 938391293 /nfs/dbraw/zinc/39/12/93/938391293.db2.gz KSYXDNYUQUDHPO-GFCCVEGCSA-N 1 0 292.339 1.247 20 5 CDBDRO C[C@H]1[C@H]([NH3+])CCCN1c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001157732512 938537854 /nfs/dbraw/zinc/53/78/54/938537854.db2.gz JTAQIGVPVVUCQT-IONNQARKSA-N 1 0 270.720 1.959 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCCN1c1nc(Cl)ncc1[N+](=O)[O-] ZINC001157734974 938538400 /nfs/dbraw/zinc/53/84/00/938538400.db2.gz ZVEDIKUCXPPKEB-RNFRBKRXSA-N 1 0 271.708 1.354 20 5 CDBDRO CCC1(Nc2cnc3cc([N+](=O)[O-])ccc3n2)C[NH2+]C1 ZINC001157779368 938544573 /nfs/dbraw/zinc/54/45/73/938544573.db2.gz RZXPPMKYFWGMIW-UHFFFAOYSA-N 1 0 273.296 1.702 20 5 CDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1NC1(CC)C[NH2+]C1 ZINC001157785108 938545564 /nfs/dbraw/zinc/54/55/64/938545564.db2.gz SZYMYLROPPWPKF-UHFFFAOYSA-N 1 0 294.311 1.330 20 5 CDBDRO CC(C)[N@@H+]1CCN(c2cc([N+](=O)[O-])ccn2)C[C@@H]1C ZINC001158493784 938629129 /nfs/dbraw/zinc/62/91/29/938629129.db2.gz LMVBQAJICCILNL-NSHDSACASA-N 1 0 264.329 1.909 20 5 CDBDRO Cc1nc(Cl)nc(N2CCC[C@@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001158674273 938648978 /nfs/dbraw/zinc/64/89/78/938648978.db2.gz VQLJGQMCLOZIAL-LBPRGKRZSA-N 1 0 299.762 1.912 20 5 CDBDRO CO[C@@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)C[C@@H]1[NH3+] ZINC001158705047 938652760 /nfs/dbraw/zinc/65/27/60/938652760.db2.gz ATLGTNJTNPFXPX-WCQYABFASA-N 1 0 288.307 1.305 20 5 CDBDRO CCOc1nc(N[C@H](C)[C@@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC001159498232 938734264 /nfs/dbraw/zinc/73/42/64/938734264.db2.gz KXRFHRCPPYDSHA-KOLCDFICSA-N 1 0 296.327 1.177 20 5 CDBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@H]2C[NH2+]C[C@H]2CO)c1 ZINC001159681302 938744933 /nfs/dbraw/zinc/74/49/33/938744933.db2.gz CGOGDIVPHHINGC-GWCFXTLKSA-N 1 0 288.307 1.135 20 5 CDBDRO Cc1nc(N[C@]2(C[NH3+])CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC001160508242 938791523 /nfs/dbraw/zinc/79/15/23/938791523.db2.gz FCNGNFPNZGYUAU-CQSZACIVSA-N 1 0 291.355 1.133 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CCNc1cc(N)c([N+](=O)[O-])cn1 ZINC001160964408 938851558 /nfs/dbraw/zinc/85/15/58/938851558.db2.gz NVEOMKFEBAQDBH-SECBINFHSA-N 1 0 265.317 1.468 20 5 CDBDRO CC(C)[C@H](CO)Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001161740270 938928424 /nfs/dbraw/zinc/92/84/24/938928424.db2.gz CKPWBAMDLIFPCQ-LBPRGKRZSA-N 1 0 265.313 1.627 20 5 CDBDRO COCCC1([NH3+])CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC001162042062 938953709 /nfs/dbraw/zinc/95/37/09/938953709.db2.gz WWBPUFGGXMEQLR-UHFFFAOYSA-N 1 0 294.355 1.632 20 5 CDBDRO [NH3+]Cc1nc2cnccc2n1-c1cc([N+](=O)[O-])ccn1 ZINC001162215350 938962421 /nfs/dbraw/zinc/96/24/21/938962421.db2.gz VHSWLRUWLZEGKX-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1C[C@@](C)([NH3+])C1 ZINC001162325314 939024224 /nfs/dbraw/zinc/02/42/24/939024224.db2.gz VILZLDXRZJXWBA-OGXFKERWSA-N 1 0 280.284 1.068 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001162404956 939046363 /nfs/dbraw/zinc/04/63/63/939046363.db2.gz RUIQLEMNFGEFSK-DTWKUNHWSA-N 1 0 294.311 1.458 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N[C@H]1CCC[C@H]([NH3+])C1 ZINC001162404957 939046683 /nfs/dbraw/zinc/04/66/83/939046683.db2.gz RUIQLEMNFGEFSK-IUCAKERBSA-N 1 0 294.311 1.458 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@@]2(F)CCCC[NH2+]C2)nc1 ZINC001162573785 939091055 /nfs/dbraw/zinc/09/10/55/939091055.db2.gz ULKLGQOQQZAGAL-GFCCVEGCSA-N 1 0 268.292 1.884 20 5 CDBDRO Cn1cc(NC(=[NH2+])C(C)(C)C)cc([N+](=O)[O-])c1=O ZINC001162661224 939110543 /nfs/dbraw/zinc/11/05/43/939110543.db2.gz RTMASFYCAMWGQV-UHFFFAOYSA-N 1 0 252.274 1.729 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2Cc3ccccc3C[C@H]2C[NH3+])n1 ZINC001162740798 939132094 /nfs/dbraw/zinc/13/20/94/939132094.db2.gz RYUZZSYARZOMFP-ZDUSSCGKSA-N 1 0 299.334 1.583 20 5 CDBDRO Cc1cnc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC001163321166 939246384 /nfs/dbraw/zinc/24/63/84/939246384.db2.gz BGXWTLAFYZURER-BXUZGUMPSA-N 1 0 292.339 1.621 20 5 CDBDRO C[NH2+]CCN(C)c1nc(SC)nc(Cl)c1[N+](=O)[O-] ZINC001163718726 939313994 /nfs/dbraw/zinc/31/39/94/939313994.db2.gz BTNFCEOYRZHHAG-UHFFFAOYSA-N 1 0 291.764 1.416 20 5 CDBDRO COc1cc(N2C[C@H](C)CC[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC001164072192 939405979 /nfs/dbraw/zinc/40/59/79/939405979.db2.gz XNUSSUKFSLYHRX-ZJUUUORDSA-N 1 0 280.328 1.562 20 5 CDBDRO Cc1nc(N2C[C@H](C)CC[C@@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC001164076587 939407063 /nfs/dbraw/zinc/40/70/63/939407063.db2.gz FLOVBHNHPKEBLD-PSASIEDQSA-N 1 0 265.317 1.257 20 5 CDBDRO COC(=O)CNc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001164566621 939494319 /nfs/dbraw/zinc/49/43/19/939494319.db2.gz VWXSSJCIROQYGJ-UHFFFAOYSA-N 1 0 297.311 1.120 20 5 CDBDRO Cc1ccnc(N2CC(C)([NH+](C)C)C2)c1[N+](=O)[O-] ZINC001165116509 939511797 /nfs/dbraw/zinc/51/17/97/939511797.db2.gz FKUCLYKTOQNJQS-UHFFFAOYSA-N 1 0 250.302 1.439 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2C[NH+](C)C[C@H]2C1 ZINC001165143442 939517110 /nfs/dbraw/zinc/51/71/10/939517110.db2.gz CLEVCZFGNMWFIO-QWRGUYRKSA-N 1 0 262.313 1.296 20 5 CDBDRO C[NH+](C)C[C@]12C[C@H]1CN(c1ncc(F)cc1[N+](=O)[O-])C2 ZINC001165181316 939520934 /nfs/dbraw/zinc/52/09/34/939520934.db2.gz LYCRDIBHKHWMME-ZANVPECISA-N 1 0 280.303 1.517 20 5 CDBDRO O=[N+]([O-])c1cccc2ccc(-n3ncc4c3CC[NH2+]C4)nc21 ZINC001165219038 939526542 /nfs/dbraw/zinc/52/65/42/939526542.db2.gz OPFSGIZZGDIJFN-UHFFFAOYSA-N 1 0 295.302 1.974 20 5 CDBDRO COc1cc(N2CCC(F)(C[NH3+])CC2)ncc1[N+](=O)[O-] ZINC001165261584 939535643 /nfs/dbraw/zinc/53/56/43/939535643.db2.gz AGMPLLFRAQRPPL-UHFFFAOYSA-N 1 0 284.291 1.266 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CCNc2nccc(N)c2[N+](=O)[O-])C1 ZINC001165273684 939538487 /nfs/dbraw/zinc/53/84/87/939538487.db2.gz UGXVPDYJJOPZCO-JTQLQIEISA-N 1 0 279.344 1.716 20 5 CDBDRO Cc1ccnc(N2CCC(C3C[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC001165411384 939561087 /nfs/dbraw/zinc/56/10/87/939561087.db2.gz VBXFYZRVWJOICW-UHFFFAOYSA-N 1 0 276.340 1.734 20 5 CDBDRO C[C@H]1CC[C@H](C[NH3+])CN1c1ncc(F)cc1[N+](=O)[O-] ZINC000401159059 940864243 /nfs/dbraw/zinc/86/42/43/940864243.db2.gz KCDNUWXVAPAQPH-DTWKUNHWSA-N 1 0 268.292 1.693 20 5 CDBDRO Nc1ccc(O[C@H]2CSC3(C[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC001218103110 941039824 /nfs/dbraw/zinc/03/98/24/941039824.db2.gz PHPPFEILMTUDGQ-SECBINFHSA-N 1 0 281.337 1.403 20 5 CDBDRO O=c1[nH]nc(O[C@@H]2CCC[NH2+]C2)c2c1cccc2[N+](=O)[O-] ZINC001218284648 941051459 /nfs/dbraw/zinc/05/14/59/941051459.db2.gz ZLJMRJIDLRYEMN-MRVPVSSYSA-N 1 0 290.279 1.374 20 5 CDBDRO [NH3+]Cc1cccc(O[C@@H]2COc3nc([N+](=O)[O-])cn3C2)c1 ZINC001218337670 941054498 /nfs/dbraw/zinc/05/44/98/941054498.db2.gz YUMVITVCRAXQRF-NSHDSACASA-N 1 0 290.279 1.090 20 5 CDBDRO CCc1c(C)nc2n(c1=O)CCC[C@H]2OCC[N+](C)(C)C ZINC001224771153 941790281 /nfs/dbraw/zinc/79/02/81/941790281.db2.gz HNLZMPYZLIWGLB-CQSZACIVSA-N 1 0 294.419 1.672 20 5 CDBDRO Cc1cc2c(cc1O[C@H](C)C[N+](C)(C)C)CC(=O)N2 ZINC001225511031 941871175 /nfs/dbraw/zinc/87/11/75/941871175.db2.gz CJKZNTRHECXTTQ-LLVKDONJSA-O 1 0 263.361 1.963 20 5 CDBDRO COCC[NH+]1CCC(Oc2cccnc2[N+](=O)[O-])CC1 ZINC001225629430 941891274 /nfs/dbraw/zinc/89/12/74/941891274.db2.gz NGLSCXQSSRSHEU-UHFFFAOYSA-N 1 0 281.312 1.479 20 5 CDBDRO COCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cn2)CC1 ZINC001225629962 941891371 /nfs/dbraw/zinc/89/13/71/941891371.db2.gz DIFFPJVNRUUMQA-UHFFFAOYSA-N 1 0 281.312 1.479 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cccnc2[N+](=O)[O-])C1 ZINC001225628996 941891756 /nfs/dbraw/zinc/89/17/56/941891756.db2.gz BSWJEJPAIJCCAT-SNVBAGLBSA-N 1 0 251.286 1.851 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(S(C)(=O)=O)cc1F ZINC001226084837 941949119 /nfs/dbraw/zinc/94/91/19/941949119.db2.gz BMTSNNYVNQEQDN-JTQLQIEISA-N 1 0 290.380 1.703 20 5 CDBDRO Cc1cnc(Cl)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001226356295 941993139 /nfs/dbraw/zinc/99/31/39/941993139.db2.gz MNDONASLUPVFKV-SNVBAGLBSA-N 1 0 287.767 1.406 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2ccc[n+]([O-])c21 ZINC001227004073 942113328 /nfs/dbraw/zinc/11/33/28/942113328.db2.gz KPKVKSWLPCCDNW-LBPRGKRZSA-N 1 0 261.345 1.947 20 5 CDBDRO CC(C)c1ccc(O)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227018830 942116844 /nfs/dbraw/zinc/11/68/44/942116844.db2.gz LRFNFVCPBWJBAO-CYBMUJFWSA-O 1 0 296.387 1.878 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cnc(Br)nc1 ZINC001227756605 942220430 /nfs/dbraw/zinc/22/04/30/942220430.db2.gz VLGPNDKVWYQFSF-MRVPVSSYSA-N 1 0 275.170 1.713 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncccc1C1CC1 ZINC001229019672 942408322 /nfs/dbraw/zinc/40/83/22/942408322.db2.gz DFBJIDNPBFWNFM-GFCCVEGCSA-N 1 0 279.360 1.322 20 5 CDBDRO CC[NH+](CC)C[C@H](C)Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229454810 942476707 /nfs/dbraw/zinc/47/67/07/942476707.db2.gz QLKJWLASNWEKHU-JTQLQIEISA-N 1 0 269.301 1.337 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1-c1nn[nH]n1 ZINC001229955360 942557669 /nfs/dbraw/zinc/55/76/69/942557669.db2.gz VBEUSTVIHNQHLC-SNVBAGLBSA-N 1 0 262.337 1.340 20 5 CDBDRO COc1cnc(SC)nc1O[C@H](C)C[N+](C)(C)C ZINC001230032963 942576323 /nfs/dbraw/zinc/57/63/23/942576323.db2.gz UTVVZBZDFSNIKX-SECBINFHSA-N 1 0 272.394 1.681 20 5 CDBDRO C[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001233701777 943643985 /nfs/dbraw/zinc/64/39/85/943643985.db2.gz GJBVTEDIPQQUBY-JTQLQIEISA-N 1 0 281.268 1.976 20 5 CDBDRO C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001262705734 943677290 /nfs/dbraw/zinc/67/72/90/943677290.db2.gz QYFUJPZPVZTXDV-ZWNOBZJWSA-N 1 0 296.346 1.780 20 5 CDBDRO Cc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc(C)c1C ZINC001234389218 943820148 /nfs/dbraw/zinc/82/01/48/943820148.db2.gz NOIRJUQKDVBBHD-CQSZACIVSA-N 1 0 280.388 1.974 20 5 CDBDRO Cc1cc(NC(=O)C[C@H]([NH3+])C2CC2)cc([N+](=O)[O-])c1 ZINC001263329630 943834598 /nfs/dbraw/zinc/83/45/98/943834598.db2.gz LPWZMNZQPDIMEN-LBPRGKRZSA-N 1 0 263.297 1.969 20 5 CDBDRO Cc1nccc([N+](=O)[O-])c1OC[C@H]1CN(C)CCO1 ZINC001234900239 943968880 /nfs/dbraw/zinc/96/88/80/943968880.db2.gz GTTZTMWTTPLFKK-SNVBAGLBSA-N 1 0 267.285 1.008 20 5 CDBDRO CCO[C@@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@H]1OC ZINC001262363843 946611615 /nfs/dbraw/zinc/61/16/15/946611615.db2.gz FIWVVZCDZJUVJQ-RRFJBIMHSA-N 1 0 294.351 1.919 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCS(=O)(=O)C1 ZINC001254532386 947510061 /nfs/dbraw/zinc/51/00/61/947510061.db2.gz NSGLVBAXRDCHLZ-PWSUYJOCSA-N 1 0 298.364 1.303 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1COC1 ZINC001254534318 947513632 /nfs/dbraw/zinc/51/36/32/947513632.db2.gz WOCPZUJAGMWBKC-SNVBAGLBSA-N 1 0 250.298 1.762 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCO[C@@H](CO)C1 ZINC001254553165 947521709 /nfs/dbraw/zinc/52/17/09/947521709.db2.gz UAOZAKVGMBCVIT-DGCLKSJQSA-N 1 0 280.324 1.219 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[C@H](O)C1)C2 ZINC001254565139 947527393 /nfs/dbraw/zinc/52/73/93/947527393.db2.gz CAKKMSDKUHXXJX-OBJOEFQTSA-N 1 0 262.309 1.565 20 5 CDBDRO CN1CCC[C@H]1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572579 947532224 /nfs/dbraw/zinc/53/22/24/947532224.db2.gz QNWDYANVXLWXKF-ZFWWWQNUSA-N 1 0 275.352 1.746 20 5 CDBDRO CN1CCC[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254572627 947532696 /nfs/dbraw/zinc/53/26/96/947532696.db2.gz RFWTVRUHZWEOHX-UONOGXRCSA-N 1 0 275.352 1.746 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCCOC1)C2 ZINC001254572668 947532922 /nfs/dbraw/zinc/53/29/22/947532922.db2.gz ROENCNLDKPLOET-OLZOCXBDSA-N 1 0 262.309 1.831 20 5 CDBDRO CC(=O)NC[C@@H](C)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254578153 947535553 /nfs/dbraw/zinc/53/55/53/947535553.db2.gz AQYXLLWYTVTNNP-QMTHXVAHSA-N 1 0 291.351 1.424 20 5 CDBDRO O=C1CCC[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CN1 ZINC001254579915 947537063 /nfs/dbraw/zinc/53/70/63/947537063.db2.gz XARAMLPVAYOEAE-QWHCGFSZSA-N 1 0 289.335 1.320 20 5 CDBDRO C[C@H](O)CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254584701 947539440 /nfs/dbraw/zinc/53/94/40/947539440.db2.gz JAMVGZDCVYICQY-CABZTGNLSA-N 1 0 250.298 1.423 20 5 CDBDRO C[C@@]1(O)CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254592463 947541932 /nfs/dbraw/zinc/54/19/32/947541932.db2.gz DNEOECIJNHLVAX-UONOGXRCSA-N 1 0 262.309 1.519 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC001254597394 947546581 /nfs/dbraw/zinc/54/65/81/947546581.db2.gz DBQKDZMZZIUEHD-HZPDHXFCSA-N 1 0 287.363 1.842 20 5 CDBDRO COCC[NH+](CCOC)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598494 947546635 /nfs/dbraw/zinc/54/66/35/947546635.db2.gz KCXKGECJUFKDPO-HNNXBMFYSA-N 1 0 294.351 1.657 20 5 CDBDRO CC[N@H+](CCC(N)=O)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599970 947549648 /nfs/dbraw/zinc/54/96/48/947549648.db2.gz NKNIQPJFJXGQNV-CYBMUJFWSA-N 1 0 277.324 1.259 20 5 CDBDRO CN(C)C(=O)CC[N@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602857 947553778 /nfs/dbraw/zinc/55/37/78/947553778.db2.gz JIBWMVIAHOSHBZ-AWEZNQCLSA-N 1 0 291.351 1.472 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(CCO)CCO ZINC001246340938 948118531 /nfs/dbraw/zinc/11/85/31/948118531.db2.gz VXNSUIKZINDHCU-LLVKDONJSA-N 1 0 282.340 1.249 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[C@H]3[NH2+]CCC[C@@H]3C2)C1 ZINC001247012427 948574907 /nfs/dbraw/zinc/57/49/07/948574907.db2.gz DKMVIEVPCUFOKW-YIYPIFLZSA-N 1 0 267.373 1.506 20 5 CDBDRO CCC1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C[NH2+]C1 ZINC001248700605 949096264 /nfs/dbraw/zinc/09/62/64/949096264.db2.gz GHTQIFGVZSSUNW-UHFFFAOYSA-N 1 0 293.258 1.430 20 5 CDBDRO C[C@H]([NH2+]C1CC1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326340989 954331431 /nfs/dbraw/zinc/33/14/31/954331431.db2.gz PSYAINUWFSZHMO-VIFPVBQESA-N 1 0 275.308 1.578 20 5 CDBDRO CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC001306059176 956301794 /nfs/dbraw/zinc/30/17/94/956301794.db2.gz ZQLCWUXKUCPCRZ-LLVKDONJSA-N 1 0 292.339 1.464 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001331760445 957248249 /nfs/dbraw/zinc/24/82/49/957248249.db2.gz VXSGTHMUCUBDKK-STQMWFEESA-N 1 0 294.355 1.601 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC001332398888 957547405 /nfs/dbraw/zinc/54/74/05/957547405.db2.gz BXCYWOCTDXFDOA-ZETCQYMHSA-N 1 0 284.291 1.044 20 5 CDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001318401623 958086339 /nfs/dbraw/zinc/08/63/39/958086339.db2.gz CXNISOKWIPWSFX-ONGXEEELSA-N 1 0 280.328 1.526 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001333502497 958381792 /nfs/dbraw/zinc/38/17/92/958381792.db2.gz NJDTWJJHDNWCSC-SNVBAGLBSA-N 1 0 296.302 1.950 20 5 CDBDRO C[NH2+]CCN(C)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001336941477 960770747 /nfs/dbraw/zinc/77/07/47/960770747.db2.gz KWMHEBQOSKALIW-SNVBAGLBSA-N 1 0 280.328 1.517 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NC[C@H](C)C[NH+](C)C ZINC001324328015 961307912 /nfs/dbraw/zinc/30/79/12/961307912.db2.gz UXBSBAMWTSFQMU-VIFPVBQESA-N 1 0 252.318 1.330 20 5 CDBDRO C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC001342589279 963771909 /nfs/dbraw/zinc/77/19/09/963771909.db2.gz HOVOVDJURIBDRM-FBIMIBRVSA-N 1 0 263.297 1.509 20 5 CDBDRO CC[N@H+](CCNc1cc(N)c([N+](=O)[O-])cn1)C(C)C ZINC001347968898 965770123 /nfs/dbraw/zinc/77/01/23/965770123.db2.gz AHOPTDMQZLXJAE-UHFFFAOYSA-N 1 0 267.333 1.714 20 5 CDBDRO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](CC[N+](=O)[O-])C2)C1 ZINC001351302546 966906345 /nfs/dbraw/zinc/90/63/45/966906345.db2.gz AFVDRGMLJKMIQA-CQSZACIVSA-N 1 0 299.371 1.596 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[NH3+] ZINC001352010733 967058718 /nfs/dbraw/zinc/05/87/18/967058718.db2.gz RFBJOGODZMKXJS-QMMMGPOBSA-N 1 0 266.301 1.104 20 5 CDBDRO Cc1cccc(N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC001354267242 968586097 /nfs/dbraw/zinc/58/60/97/968586097.db2.gz XZPVGTNAKCRKOO-JSGCOSHPSA-N 1 0 292.383 1.949 20 5 CDBDRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C2 ZINC001523549610 970731736 /nfs/dbraw/zinc/73/17/36/970731736.db2.gz AHEPMMJJDHSGBU-UWJYBYFXSA-N 1 0 293.298 1.686 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@](C)(C[NH3+])C2)n1 ZINC001158674660 1163383097 /nfs/dbraw/zinc/38/30/97/1163383097.db2.gz ADMUOGASSXSJSM-GFCCVEGCSA-N 1 0 299.762 1.912 20 5 CDBDRO O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)C1CC[NH2+]CC1 ZINC001574326883 1170948804 /nfs/dbraw/zinc/94/88/04/1170948804.db2.gz IBCWPPPFQZDISQ-UHFFFAOYSA-N 1 0 299.277 1.489 20 5 CDBDRO Nc1c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC000275825750 341977662 /nfs/dbraw/zinc/97/76/62/341977662.db2.gz XAIXRUUJFPPLLD-BDAKNGLRSA-N 1 0 296.302 1.316 20 5 CDBDRO C[NH+](C)C[C@H](CO)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000589101778 342496911 /nfs/dbraw/zinc/49/69/11/342496911.db2.gz KPHHEGZUMKZNCJ-SNVBAGLBSA-N 1 0 290.323 1.477 20 5 CDBDRO Cc1ccc(N[C@@H](CO)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000589101843 342496945 /nfs/dbraw/zinc/49/69/45/342496945.db2.gz NTXUBYAEMDZUPF-SNVBAGLBSA-N 1 0 253.302 1.238 20 5 CDBDRO CC(C)[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000041926618 342000650 /nfs/dbraw/zinc/00/06/50/342000650.db2.gz DWEXUIUGIYQLOL-UHFFFAOYSA-N 1 0 269.301 1.648 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCN[C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000601328350 342554450 /nfs/dbraw/zinc/55/44/50/342554450.db2.gz MNOWTDXAMVBNFV-DOMZBBRYSA-N 1 0 291.351 1.705 20 5 CDBDRO O=[N+]([O-])c1ccc2oc(CN3C[C@H]4CC[C@@H](C3)[NH2+]4)nc2c1 ZINC000601330636 342554779 /nfs/dbraw/zinc/55/47/79/342554779.db2.gz VXTBWIUDHVSEPJ-AOOOYVTPSA-N 1 0 288.307 1.672 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000564955845 365556290 /nfs/dbraw/zinc/55/62/90/365556290.db2.gz BGDAFFPMLNBCIJ-DTWKUNHWSA-N 1 0 295.343 1.128 20 5 CDBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000235300426 342049151 /nfs/dbraw/zinc/04/91/51/342049151.db2.gz QIZAXAVTZOMEIR-MBNYWOFBSA-N 1 0 296.371 1.711 20 5 CDBDRO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@H]2C)cc1[N+](=O)[O-] ZINC000590661446 342581360 /nfs/dbraw/zinc/58/13/60/342581360.db2.gz PDOJGACJEAVADA-BXKDBHETSA-N 1 0 266.297 1.559 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1COC[C@H]1O ZINC000565346018 365628840 /nfs/dbraw/zinc/62/88/40/365628840.db2.gz JYQSTVXBXCGPHI-ZWKOPEQDSA-N 1 0 266.297 1.314 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](C3CCC3)C2)c1 ZINC000591062202 342614833 /nfs/dbraw/zinc/61/48/33/342614833.db2.gz XJBLVFGHHGSXHB-TZMCWYRMSA-N 1 0 294.355 1.274 20 5 CDBDRO [NH3+][C@@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000591278204 342624204 /nfs/dbraw/zinc/62/42/04/342624204.db2.gz CNKRVARQFIZJRX-NSHDSACASA-N 1 0 293.323 1.193 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCCN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591448172 342632811 /nfs/dbraw/zinc/63/28/11/342632811.db2.gz GABJUSWSKHVAQH-OLZOCXBDSA-N 1 0 291.351 1.657 20 5 CDBDRO CC1(F)CC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591768217 342646029 /nfs/dbraw/zinc/64/60/29/342646029.db2.gz QPGRAZRUECWWHB-CVZZAPKMSA-N 1 0 298.314 1.815 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592475258 342699002 /nfs/dbraw/zinc/69/90/02/342699002.db2.gz FRYNSPYUUYWZNA-SMDDNHRTSA-N 1 0 295.339 1.022 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(C3CCC3)CC2)c1 ZINC000593078833 342762914 /nfs/dbraw/zinc/76/29/14/342762914.db2.gz BRHKRNFGYOYIOE-UHFFFAOYSA-N 1 0 250.302 1.714 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000305965483 342181312 /nfs/dbraw/zinc/18/13/12/342181312.db2.gz JFQILLNAZDUGCZ-UHFFFAOYSA-N 1 0 255.249 1.155 20 5 CDBDRO O=[N+]([O-])c1cnn(CCN(C2CC2)C2CC[NH2+]CC2)c1 ZINC000592984098 342751333 /nfs/dbraw/zinc/75/13/33/342751333.db2.gz HIKFZUCWJVAFMK-UHFFFAOYSA-N 1 0 279.344 1.008 20 5 CDBDRO COc1cccc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC000573606148 361910352 /nfs/dbraw/zinc/91/03/52/361910352.db2.gz XLYKLKOGUDMKMR-NXEZZACHSA-N 1 0 293.323 1.474 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC1CC[NH+](C2CC2)CC1 ZINC000073350512 342186291 /nfs/dbraw/zinc/18/62/91/342186291.db2.gz LGTPOOACSWKTHG-UHFFFAOYSA-N 1 0 265.317 1.367 20 5 CDBDRO Cc1ccc(C[NH2+]CC[C@@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000593691242 342823491 /nfs/dbraw/zinc/82/34/91/342823491.db2.gz OLCQKVZWPDJTEH-HNNXBMFYSA-N 1 0 294.351 1.924 20 5 CDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000594003744 342862528 /nfs/dbraw/zinc/86/25/28/342862528.db2.gz SIFNTKSVCKYHKT-VXGBXAGGSA-N 1 0 268.288 1.983 20 5 CDBDRO CC(C)[C@@H]1C[NH2+]CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000600716621 342244340 /nfs/dbraw/zinc/24/43/40/342244340.db2.gz ZMBJMKQOKPYVEH-HNNXBMFYSA-N 1 0 293.367 1.903 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)ccc1[N+](=O)[O-] ZINC000209381495 342272775 /nfs/dbraw/zinc/27/27/75/342272775.db2.gz ZJKMCTQBCPFBIX-YPMHNXCESA-N 1 0 275.308 1.337 20 5 CDBDRO [NH3+][C@@H](c1cn(-c2ccc([N+](=O)[O-])cc2)nn1)[C@@H]1CCCO1 ZINC000594639758 342938806 /nfs/dbraw/zinc/93/88/06/342938806.db2.gz AKSRSEYULSUPMK-STQMWFEESA-N 1 0 289.295 1.354 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000295213036 529567204 /nfs/dbraw/zinc/56/72/04/529567204.db2.gz LVMCLBBCTSMCTE-SSDOTTSWSA-N 1 0 271.704 1.715 20 5 CDBDRO C[C@H](Cn1cncn1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000595020157 342996067 /nfs/dbraw/zinc/99/60/67/342996067.db2.gz UXTSXLINBLGJEO-LLVKDONJSA-N 1 0 291.311 1.243 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000595264314 343015639 /nfs/dbraw/zinc/01/56/39/343015639.db2.gz UITOKQWMQXZYCS-SECBINFHSA-N 1 0 296.327 1.011 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000595269244 343019057 /nfs/dbraw/zinc/01/90/57/343019057.db2.gz RWJZXLIOAQAHGD-WDEREUQCSA-N 1 0 294.355 1.871 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H]1CC[NH3+] ZINC000404276930 349769655 /nfs/dbraw/zinc/76/96/55/349769655.db2.gz NRYHIWSDAPGXRN-ZJUUUORDSA-N 1 0 281.312 1.777 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(Cc2onc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000595405555 343050097 /nfs/dbraw/zinc/05/00/97/343050097.db2.gz YCIJUFCELBXYML-NXEZZACHSA-N 1 0 282.344 1.806 20 5 CDBDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595427732 343057366 /nfs/dbraw/zinc/05/73/66/343057366.db2.gz BTUMNGFKWIWXHF-ZJUUUORDSA-N 1 0 268.288 1.937 20 5 CDBDRO CN(CCOCCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595477537 343064761 /nfs/dbraw/zinc/06/47/61/343064761.db2.gz UEBHQRDQYSLAMY-UHFFFAOYSA-N 1 0 272.276 1.175 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCN1Cc1onc(C)c1[N+](=O)[O-] ZINC000595505891 343080172 /nfs/dbraw/zinc/08/01/72/343080172.db2.gz WPNDLOAWAFAYMG-JTQLQIEISA-N 1 0 268.317 1.417 20 5 CDBDRO C[C@@H](CCN1CC[NH+](C)CC1)Nc1ncc([N+](=O)[O-])s1 ZINC000192535497 362012224 /nfs/dbraw/zinc/01/22/24/362012224.db2.gz ZOTQTPDKUJJRIP-JTQLQIEISA-N 1 0 299.400 1.489 20 5 CDBDRO CN(CCOc1ccc([N+](=O)[O-])cc1)Cc1c[nH]cn1 ZINC000595597420 343114289 /nfs/dbraw/zinc/11/42/89/343114289.db2.gz PUZWYOVTSMGNGR-UHFFFAOYSA-N 1 0 276.296 1.829 20 5 CDBDRO C[NH+](C)CC(C)(C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000457207668 365708863 /nfs/dbraw/zinc/70/88/63/365708863.db2.gz MXZLSIYQNZOQSY-UHFFFAOYSA-N 1 0 294.355 1.463 20 5 CDBDRO Cc1ccnc(N2CCN(C[C@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000265285395 362092352 /nfs/dbraw/zinc/09/23/52/362092352.db2.gz XDHGMJSJENVIKH-RYUDHWBXSA-N 1 0 294.355 1.190 20 5 CDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000595735565 343135266 /nfs/dbraw/zinc/13/52/66/343135266.db2.gz BBDSEAHDJKETDC-GFCCVEGCSA-N 1 0 296.323 1.321 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1[C@@H](C)O ZINC000595764581 343145221 /nfs/dbraw/zinc/14/52/21/343145221.db2.gz BYFFGLZBLBCLQW-ZWNOBZJWSA-N 1 0 280.324 1.949 20 5 CDBDRO CC[NH+]1CCN(CCNc2ccsc2[N+](=O)[O-])CC1 ZINC000596073290 343225896 /nfs/dbraw/zinc/22/58/96/343225896.db2.gz JNNHPAAXDHNUCY-UHFFFAOYSA-N 1 0 284.385 1.706 20 5 CDBDRO Cc1cc(N[C@@H](CO)C[NH+](C)C)c([N+](=O)[O-])s1 ZINC000596244009 343285706 /nfs/dbraw/zinc/28/57/06/343285706.db2.gz NSGDRQXTYCFZFQ-MRVPVSSYSA-N 1 0 259.331 1.299 20 5 CDBDRO Cc1cnc(N2CC[C@H]([NH+](C)C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000596246643 343286266 /nfs/dbraw/zinc/28/62/66/343286266.db2.gz XMZMAEXCGNVIIG-MNOVXSKESA-N 1 0 264.329 1.827 20 5 CDBDRO Cc1cc(N[C@H]2CCC[N@H+](CCCO)C2)ncc1[N+](=O)[O-] ZINC000294989828 199286971 /nfs/dbraw/zinc/28/69/71/199286971.db2.gz QEZIAAMVNUPELI-LBPRGKRZSA-N 1 0 294.355 1.557 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000209447766 342438648 /nfs/dbraw/zinc/43/86/48/342438648.db2.gz XHUXINDGKYRIFO-SKDRFNHKSA-N 1 0 276.296 1.420 20 5 CDBDRO O=C(NCC12CCC[NH+]1CCC2)c1cc([N+](=O)[O-])c[nH]1 ZINC000619574098 349808142 /nfs/dbraw/zinc/80/81/42/349808142.db2.gz OPYXNIGOWJZSMV-UHFFFAOYSA-N 1 0 278.312 1.281 20 5 CDBDRO CCc1n[nH]c(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c1[N+](=O)[O-] ZINC000597700548 343603504 /nfs/dbraw/zinc/60/35/04/343603504.db2.gz NJFHJCATRYCEBS-PSASIEDQSA-N 1 0 295.343 1.045 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC(C[NH+](C)C)C1 ZINC000597706384 343605043 /nfs/dbraw/zinc/60/50/43/343605043.db2.gz UYRTWEIAAFAQCZ-UHFFFAOYSA-N 1 0 291.351 1.845 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCN(CCCO)C2)cc1 ZINC000295047077 199317629 /nfs/dbraw/zinc/31/76/29/199317629.db2.gz FMSSAMFGXIOTIF-CQSZACIVSA-N 1 0 293.367 1.531 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000597859958 343648509 /nfs/dbraw/zinc/64/85/09/343648509.db2.gz IZLAMOCATHSMKL-VIFPVBQESA-N 1 0 295.343 1.168 20 5 CDBDRO CC[C@H](CO)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000295061670 199325249 /nfs/dbraw/zinc/32/52/49/199325249.db2.gz GPNWBFUHDQNIRC-GFCCVEGCSA-N 1 0 296.323 1.664 20 5 CDBDRO C[C@@H](CCNC(=O)c1cccc([N+](=O)[O-])c1N)[NH+](C)C ZINC000597990992 343681728 /nfs/dbraw/zinc/68/17/28/343681728.db2.gz CCUPNQGCJPUMRP-VIFPVBQESA-N 1 0 280.328 1.247 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[NH+](C)C ZINC000597992874 343682525 /nfs/dbraw/zinc/68/25/25/343682525.db2.gz OOTGFCBOEWLBOT-NSHDSACASA-N 1 0 279.340 1.973 20 5 CDBDRO COC(=O)c1ccnc(NC[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000598627934 343848148 /nfs/dbraw/zinc/84/81/48/343848148.db2.gz WCDZAFVTCCCILP-VIFPVBQESA-N 1 0 296.327 1.386 20 5 CDBDRO [NH3+][C@]12CCC[C@H]1CN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000598680423 343863761 /nfs/dbraw/zinc/86/37/61/343863761.db2.gz BOVXBAYCDVHSNN-JSGCOSHPSA-N 1 0 261.325 1.908 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598684707 343865019 /nfs/dbraw/zinc/86/50/19/343865019.db2.gz XTDDDKVLCGETCO-IUODEOHRSA-N 1 0 291.351 1.917 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000429978937 290706698 /nfs/dbraw/zinc/70/66/98/290706698.db2.gz XWXIMJFKMJEQQC-VIFPVBQESA-N 1 0 281.312 1.075 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCOC[C@H]1O ZINC000599080835 343956654 /nfs/dbraw/zinc/95/66/54/343956654.db2.gz KNSYGGFENPNLJL-ZWKOPEQDSA-N 1 0 296.323 1.404 20 5 CDBDRO C[N@@H+]1CCCC[C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000599141799 343960359 /nfs/dbraw/zinc/96/03/59/343960359.db2.gz RLEGKSLXUMCFCD-JTQLQIEISA-N 1 0 280.328 1.839 20 5 CDBDRO Cc1cc(NCC[N@@H+]2CC[C@@H](O)C2)c(F)cc1[N+](=O)[O-] ZINC000599176349 343966056 /nfs/dbraw/zinc/96/60/56/343966056.db2.gz RJEYXIFAWXNXKF-SNVBAGLBSA-N 1 0 283.303 1.521 20 5 CDBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000599176328 343966307 /nfs/dbraw/zinc/96/63/07/343966307.db2.gz QYMAZQAKGATCOK-GFCCVEGCSA-N 1 0 251.286 1.073 20 5 CDBDRO COc1cc(C[NH2+]C[C@H]2CC[C@H](C)O2)c([N+](=O)[O-])cc1O ZINC000453635833 252330154 /nfs/dbraw/zinc/33/01/54/252330154.db2.gz VKGXMVBCYGNWMB-GXSJLCMTSA-N 1 0 296.323 1.966 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1c(F)cccc1[N+](=O)[O-] ZINC000602429442 344422796 /nfs/dbraw/zinc/42/27/96/344422796.db2.gz DKOZAAVPPVWYQZ-SECBINFHSA-N 1 0 281.287 1.463 20 5 CDBDRO C[C@]1(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000602487655 344449813 /nfs/dbraw/zinc/44/98/13/344449813.db2.gz XOFIKAOCWIQBFH-AWEZNQCLSA-N 1 0 295.314 1.853 20 5 CDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000602530542 344455684 /nfs/dbraw/zinc/45/56/84/344455684.db2.gz RYGPVYLJFMMUQQ-AWEZNQCLSA-N 1 0 291.351 1.594 20 5 CDBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C)CCO1 ZINC000602577629 344473359 /nfs/dbraw/zinc/47/33/59/344473359.db2.gz UTHLQOPRDFDPTH-DOMZBBRYSA-N 1 0 293.367 1.446 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602590116 344479356 /nfs/dbraw/zinc/47/93/56/344479356.db2.gz WZVMWKXVNMXWRB-RYUDHWBXSA-N 1 0 289.335 1.706 20 5 CDBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCN3CCC3)nc2c1 ZINC000602572598 344486751 /nfs/dbraw/zinc/48/67/51/344486751.db2.gz RMDVMNAXRXMZAM-UHFFFAOYSA-N 1 0 276.296 1.531 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000154649100 529994952 /nfs/dbraw/zinc/99/49/52/529994952.db2.gz CGCKJOTVLAMKHU-VIFPVBQESA-N 1 0 299.758 1.762 20 5 CDBDRO CC[N@@H+]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602839918 344621027 /nfs/dbraw/zinc/62/10/27/344621027.db2.gz LSJKGOQJNNKVMP-LBPRGKRZSA-N 1 0 295.387 1.516 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](CO)CC(C)(C)C ZINC000602841999 344622227 /nfs/dbraw/zinc/62/22/27/344622227.db2.gz UWTRLYJZNMCYCE-GFCCVEGCSA-N 1 0 298.387 1.829 20 5 CDBDRO COC1([C@@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])CCC1 ZINC000602843250 344622718 /nfs/dbraw/zinc/62/27/18/344622718.db2.gz DTQYGEXHWMHKKR-SNVBAGLBSA-N 1 0 282.344 1.647 20 5 CDBDRO O=[N+]([O-])c1sccc1NC[C@@H]1CSCC[NH2+]1 ZINC000603419895 344799967 /nfs/dbraw/zinc/79/99/67/344799967.db2.gz QPYFNSKYEVZJSG-SSDOTTSWSA-N 1 0 259.356 1.773 20 5 CDBDRO C[C@H](Cn1cncn1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000604532671 344898380 /nfs/dbraw/zinc/89/83/80/344898380.db2.gz OJBDGTVOXHYIOQ-SNVBAGLBSA-N 1 0 261.285 1.365 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)C1 ZINC000292962339 362522262 /nfs/dbraw/zinc/52/22/62/362522262.db2.gz CYNUNADXFZCXHX-SECBINFHSA-N 1 0 282.319 1.704 20 5 CDBDRO CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H](C)CO ZINC000293334188 362548280 /nfs/dbraw/zinc/54/82/80/362548280.db2.gz GTGDSCVKHUTMFN-JTQLQIEISA-N 1 0 296.323 1.664 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344041572 362539908 /nfs/dbraw/zinc/53/99/08/362539908.db2.gz WKQZWWAAEGXKHH-OBJOEFQTSA-N 1 0 292.335 1.676 20 5 CDBDRO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000293533675 362572534 /nfs/dbraw/zinc/57/25/34/362572534.db2.gz XFZWFPRBLXEWOL-WCQYABFASA-N 1 0 298.339 1.037 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000265975983 362633766 /nfs/dbraw/zinc/63/37/66/362633766.db2.gz KCRSPAQINRAHFQ-LLVKDONJSA-N 1 0 292.339 1.481 20 5 CDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000609877889 346031355 /nfs/dbraw/zinc/03/13/55/346031355.db2.gz QCVXYQSEGAGCJT-LLVKDONJSA-N 1 0 294.355 1.538 20 5 CDBDRO CC[NH+](CC)[C@@H]1CCN(c2cccnc2[N+](=O)[O-])C1 ZINC000610283163 346243270 /nfs/dbraw/zinc/24/32/70/346243270.db2.gz MGSDBXHSFCRKGP-LLVKDONJSA-N 1 0 264.329 1.910 20 5 CDBDRO C[NH+](C)[C@@]1(CNc2cccnc2[N+](=O)[O-])CCSC1 ZINC000610489113 346293045 /nfs/dbraw/zinc/29/30/45/346293045.db2.gz JKNCOWWMZOPJFY-GFCCVEGCSA-N 1 0 282.369 1.839 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCCCCC1 ZINC000610652450 346332522 /nfs/dbraw/zinc/33/25/22/346332522.db2.gz JAAGKVXHKMTXRO-UHFFFAOYSA-N 1 0 252.318 1.976 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C[N@@H+]1C1CC1 ZINC000610653927 346336461 /nfs/dbraw/zinc/33/64/61/346336461.db2.gz CABVMWLVEXPWCG-IUCAKERBSA-N 1 0 278.312 1.278 20 5 CDBDRO CC(C)C[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000037887241 346369609 /nfs/dbraw/zinc/36/96/09/346369609.db2.gz WVOVPHXVJXJWKH-PWSUYJOCSA-N 1 0 270.333 1.176 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])nc3)CC[C@H]21 ZINC000610808010 346443746 /nfs/dbraw/zinc/44/37/46/346443746.db2.gz OLGILFAOPVFTHQ-WCQYABFASA-N 1 0 276.340 1.910 20 5 CDBDRO CCc1nn(C)c(N2CCC[C@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000611281004 346734964 /nfs/dbraw/zinc/73/49/64/346734964.db2.gz DVKRLBDKOAZRFI-NSHDSACASA-N 1 0 295.387 1.858 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCSCC1 ZINC000611468585 346796005 /nfs/dbraw/zinc/79/60/05/346796005.db2.gz YYIFWUDLDNBUIF-UHFFFAOYSA-N 1 0 256.331 1.149 20 5 CDBDRO C[NH2+]Cc1cn(Cc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000090295539 347651032 /nfs/dbraw/zinc/65/10/32/347651032.db2.gz YXLHHILXHJCLMO-UHFFFAOYSA-N 1 0 281.703 1.607 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090320426 347653137 /nfs/dbraw/zinc/65/31/37/347653137.db2.gz JBENYCSBCMSASW-IJLUTSLNSA-N 1 0 261.325 1.807 20 5 CDBDRO CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000054376444 347821465 /nfs/dbraw/zinc/82/14/65/347821465.db2.gz OTFOAYNBMOCQMZ-UHFFFAOYSA-N 1 0 266.301 1.137 20 5 CDBDRO C[C@H]1C[NH2+]CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000054375102 347821489 /nfs/dbraw/zinc/82/14/89/347821489.db2.gz UCFLFAYYIBXSEQ-ZETCQYMHSA-N 1 0 267.314 1.102 20 5 CDBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C[NH2+]1 ZINC000086467498 179297840 /nfs/dbraw/zinc/29/78/40/179297840.db2.gz UUIIFTBIZTXWNL-GHMZBOCLSA-N 1 0 277.324 1.346 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000614712773 348200541 /nfs/dbraw/zinc/20/05/41/348200541.db2.gz YEFWSSGXIMSUFB-DGCLKSJQSA-N 1 0 277.324 1.807 20 5 CDBDRO [NH3+]C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000087383766 179418285 /nfs/dbraw/zinc/41/82/85/179418285.db2.gz LYQFSGUQMPFBIS-GUOLPTJISA-N 1 0 275.308 1.462 20 5 CDBDRO CC[C@@]1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000128967013 187402216 /nfs/dbraw/zinc/40/22/16/187402216.db2.gz WTVUBPKSLZRGMM-HNNXBMFYSA-N 1 0 291.351 1.786 20 5 CDBDRO CC[NH+]1CCN(CCNc2ncccc2[N+](=O)[O-])CC1 ZINC000058734065 348868792 /nfs/dbraw/zinc/86/87/92/348868792.db2.gz UZMGBUIRFYRWQZ-UHFFFAOYSA-N 1 0 279.344 1.039 20 5 CDBDRO CC[N@H+](CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000067386907 349024218 /nfs/dbraw/zinc/02/42/18/349024218.db2.gz FJBNCDCUSPNQBT-UHFFFAOYSA-N 1 0 254.286 1.288 20 5 CDBDRO CCCC[C@H](COC)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090538837 180000504 /nfs/dbraw/zinc/00/05/04/180000504.db2.gz PCFWMCFMUSGWSE-LLVKDONJSA-N 1 0 270.333 1.586 20 5 CDBDRO COc1ccc(C[NH2+]C[C@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000105932529 186091780 /nfs/dbraw/zinc/09/17/80/186091780.db2.gz FJJMBENUKQAFAL-LBPRGKRZSA-N 1 0 295.339 1.024 20 5 CDBDRO CC[NH+](CC)C[C@H](C)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000076269111 350540857 /nfs/dbraw/zinc/54/08/57/350540857.db2.gz GFWBDQIOWNDAGR-QMMMGPOBSA-N 1 0 268.321 1.109 20 5 CDBDRO COCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000107673732 186185521 /nfs/dbraw/zinc/18/55/21/186185521.db2.gz ZLBVCCCHNLSURS-JTQLQIEISA-N 1 0 266.301 1.122 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NCCN1CC[NH+](C)CC1 ZINC000112208973 186474997 /nfs/dbraw/zinc/47/49/97/186474997.db2.gz DTJCJENEYVDPAB-UHFFFAOYSA-N 1 0 278.356 1.563 20 5 CDBDRO CCOc1ccc(C(=O)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000120228683 186884901 /nfs/dbraw/zinc/88/49/01/186884901.db2.gz FHOCBWHLMQYHJX-NSHDSACASA-N 1 0 293.323 1.475 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCC[NH2+]CC1 ZINC000231469716 140216155 /nfs/dbraw/zinc/21/61/55/140216155.db2.gz ZPWUNHSPJFFVPZ-VIFPVBQESA-N 1 0 266.301 1.137 20 5 CDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000122125738 187016504 /nfs/dbraw/zinc/01/65/04/187016504.db2.gz LSLNAFXJXJRCGM-LLVKDONJSA-N 1 0 254.290 1.026 20 5 CDBDRO [NH3+]C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000122212413 187021567 /nfs/dbraw/zinc/02/15/67/187021567.db2.gz CYZWEYQGORWIEG-UHFFFAOYSA-N 1 0 283.715 1.812 20 5 CDBDRO Cc1ccc(C(=O)NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000122282584 187024706 /nfs/dbraw/zinc/02/47/06/187024706.db2.gz YUUIKAJDGDNZFL-UHFFFAOYSA-N 1 0 251.286 1.370 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000122331732 187027143 /nfs/dbraw/zinc/02/71/43/187027143.db2.gz VMDJWFTWXRNATN-SSDOTTSWSA-N 1 0 255.299 1.220 20 5 CDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC1(O)CCOCC1 ZINC000123794101 187109364 /nfs/dbraw/zinc/10/93/64/187109364.db2.gz FRLVEVWCSVFKEL-UHFFFAOYSA-N 1 0 280.324 1.568 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@H](C)CCCC[NH3+])c1[N+](=O)[O-] ZINC000292095423 198161311 /nfs/dbraw/zinc/16/13/11/198161311.db2.gz NVWANBVDKQROCY-SECBINFHSA-N 1 0 297.359 1.518 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000295164622 199381100 /nfs/dbraw/zinc/38/11/00/199381100.db2.gz FGUATEDWTDFDSO-QMMMGPOBSA-N 1 0 291.311 1.328 20 5 CDBDRO Cc1sc(C(=O)N[C@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000154905379 188168976 /nfs/dbraw/zinc/16/89/76/188168976.db2.gz RVIFDJJGQCTEMN-GFCCVEGCSA-N 1 0 283.353 1.822 20 5 CDBDRO COc1cc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000156722068 188278535 /nfs/dbraw/zinc/27/85/35/188278535.db2.gz CUOIKGYITCGOAQ-ONGXEEELSA-N 1 0 293.323 1.413 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000295176250 199389607 /nfs/dbraw/zinc/38/96/07/199389607.db2.gz GWDGIONUGRKANO-SECBINFHSA-N 1 0 251.286 1.452 20 5 CDBDRO O=C1NCCCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000036976555 363303527 /nfs/dbraw/zinc/30/35/27/363303527.db2.gz FIJPKHFXTDQTJW-GFCCVEGCSA-N 1 0 263.297 1.353 20 5 CDBDRO C[C@@H](O)CN(CCO)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000289696240 363363090 /nfs/dbraw/zinc/36/30/90/363363090.db2.gz HCIZPLPQPQLUJF-SECBINFHSA-N 1 0 288.731 1.423 20 5 CDBDRO CC[C@H](NC(=O)[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000237025517 363379354 /nfs/dbraw/zinc/37/93/54/363379354.db2.gz MBWUYRKDJYGXRD-YPMHNXCESA-N 1 0 277.324 1.772 20 5 CDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ncccc2[N+](=O)[O-])C1 ZINC000269088234 283099928 /nfs/dbraw/zinc/09/99/28/283099928.db2.gz ISYXRXXFZGIPMJ-VXGBXAGGSA-N 1 0 276.340 1.910 20 5 CDBDRO C[C@H](NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001579480289 1172194102 /nfs/dbraw/zinc/19/41/02/1172194102.db2.gz HLKSCCISTVBDMR-CWSCBRNRSA-N 1 0 295.314 1.720 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493453589 356270849 /nfs/dbraw/zinc/27/08/49/356270849.db2.gz AQMVZXYQOAAJJK-LDTRIUGDSA-N 1 0 275.308 1.556 20 5 CDBDRO COc1ccc(C[NH2+]CC2(O)CCC2)cc1[N+](=O)[O-] ZINC000134518158 356333337 /nfs/dbraw/zinc/33/33/37/356333337.db2.gz UCANUAKEPFPQCN-UHFFFAOYSA-N 1 0 266.297 1.608 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H](CO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000359947905 356447785 /nfs/dbraw/zinc/44/77/85/356447785.db2.gz UWZFUZZYQFHORA-AWEZNQCLSA-N 1 0 294.351 1.780 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[C@H]1[NH3+] ZINC000094339382 366246480 /nfs/dbraw/zinc/24/64/80/366246480.db2.gz FHBPKEICLFUFNC-QPUJVOFHSA-N 1 0 281.287 1.543 20 5 CDBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000273718027 192276716 /nfs/dbraw/zinc/27/67/16/192276716.db2.gz GJAQMRGXDVONRG-NSHDSACASA-N 1 0 279.344 1.775 20 5 CDBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000037154596 363489172 /nfs/dbraw/zinc/48/91/72/363489172.db2.gz KAUJBJHOBFHMPV-NSHDSACASA-N 1 0 260.297 1.970 20 5 CDBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000119040447 357223881 /nfs/dbraw/zinc/22/38/81/357223881.db2.gz VKLOVJKRAMLEKR-NEPJUHHUSA-N 1 0 280.324 1.988 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000566203424 357434816 /nfs/dbraw/zinc/43/48/16/357434816.db2.gz USBVTNRBRAOARJ-UHFFFAOYSA-N 1 0 291.311 1.201 20 5 CDBDRO C[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000149457067 357462581 /nfs/dbraw/zinc/46/25/81/357462581.db2.gz IQVHXYWKUPVIHE-CBAPKCEASA-N 1 0 270.720 1.817 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC[C@H]1C[N@@H+](C)CCN1C ZINC000096474972 357479112 /nfs/dbraw/zinc/47/91/12/357479112.db2.gz MEFVHCMFUNBWKG-LBPRGKRZSA-N 1 0 278.356 1.561 20 5 CDBDRO O=[N+]([O-])c1ccccc1NCC[N@@H+]1CCCOCC1 ZINC000188499984 357904141 /nfs/dbraw/zinc/90/41/41/357904141.db2.gz IDWMQZVOWOHWFW-UHFFFAOYSA-N 1 0 265.313 1.729 20 5 CDBDRO CC[N@@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000286757347 357988473 /nfs/dbraw/zinc/98/84/73/357988473.db2.gz ZCNUQQBGEXWFIH-CYBMUJFWSA-N 1 0 293.367 2.000 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1OC[C@@H](O)C[N@H+](C)C1CC1 ZINC000290760006 358009053 /nfs/dbraw/zinc/00/90/53/358009053.db2.gz JYALDKPLDKCZOA-LBPRGKRZSA-N 1 0 296.323 1.437 20 5 CDBDRO C[C@H]1C[N@H+](C)C[C@H]1c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000361251899 358019741 /nfs/dbraw/zinc/01/97/41/358019741.db2.gz NOOGCBFSOWJYAV-JGVFFNPUSA-N 1 0 292.299 1.043 20 5 CDBDRO COc1ccc(CN[C@@H](C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000422951047 358064640 /nfs/dbraw/zinc/06/46/40/358064640.db2.gz ZPHCXAKTGAFDKF-VIFPVBQESA-N 1 0 265.313 1.301 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3[NH2+]CCC[C@H]3C2)c(F)c1 ZINC000337528446 358079464 /nfs/dbraw/zinc/07/94/64/358079464.db2.gz ZBHXXNASEIONHN-FZMZJTMJSA-N 1 0 279.315 1.918 20 5 CDBDRO COC(=O)Cc1ccc(NC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000296191643 199813967 /nfs/dbraw/zinc/81/39/67/199813967.db2.gz BNEWNDIBROQVFK-SNVBAGLBSA-N 1 0 295.339 1.672 20 5 CDBDRO COc1ccc(OCC[N@H+]2CC[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000361370815 358171540 /nfs/dbraw/zinc/17/15/40/358171540.db2.gz COJSGLLVBSBYEH-GFCCVEGCSA-N 1 0 296.323 1.703 20 5 CDBDRO C[C@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000192734027 358231044 /nfs/dbraw/zinc/23/10/44/358231044.db2.gz AREWQRSIUXLHNG-NSHDSACASA-N 1 0 280.324 1.819 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCOCCO)CCC2 ZINC000192612041 358221805 /nfs/dbraw/zinc/22/18/05/358221805.db2.gz PUBFGOVOOBGMAE-CQSZACIVSA-N 1 0 280.324 1.571 20 5 CDBDRO Cc1cccc(C(=O)NCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000176005252 358314430 /nfs/dbraw/zinc/31/44/30/358314430.db2.gz BDQVEEYEOYJTQL-UHFFFAOYSA-N 1 0 277.324 1.729 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000195116424 358411706 /nfs/dbraw/zinc/41/17/06/358411706.db2.gz KFRIOLZMXMEEPP-NSHDSACASA-N 1 0 292.339 1.347 20 5 CDBDRO C[C@@H]1CC[C@@H]([N@H+](CCO)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000351633796 366438943 /nfs/dbraw/zinc/43/89/43/366438943.db2.gz MGEOIMVQACVBCS-VXGBXAGGSA-N 1 0 282.344 1.274 20 5 CDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408228226 358450572 /nfs/dbraw/zinc/45/05/72/358450572.db2.gz WKYMWYHPDWTEKD-CABZTGNLSA-N 1 0 280.328 1.335 20 5 CDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264767329 358428115 /nfs/dbraw/zinc/42/81/15/358428115.db2.gz NQXHGBMGKJSEDS-JTQLQIEISA-N 1 0 280.328 1.527 20 5 CDBDRO C[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1C ZINC000176262163 358764180 /nfs/dbraw/zinc/76/41/80/358764180.db2.gz CSZXWNOYANGEHE-GHMZBOCLSA-N 1 0 252.318 1.912 20 5 CDBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000290910668 358769458 /nfs/dbraw/zinc/76/94/58/358769458.db2.gz LPOLERGZQAMJFR-VIFPVBQESA-N 1 0 283.332 1.168 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC1CCCC1 ZINC000176220344 358741176 /nfs/dbraw/zinc/74/11/76/358741176.db2.gz QQIUDUDNEZJTEV-UHFFFAOYSA-N 1 0 252.318 1.913 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000408197369 358812558 /nfs/dbraw/zinc/81/25/58/358812558.db2.gz IDOPEFFABMTWNK-LBPRGKRZSA-N 1 0 293.371 1.783 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435244140 359044724 /nfs/dbraw/zinc/04/47/24/359044724.db2.gz BVDBCKVWEGEZAR-ZDUSSCGKSA-N 1 0 289.335 1.870 20 5 CDBDRO CC(C)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])OCCO ZINC000342328335 359009883 /nfs/dbraw/zinc/00/98/83/359009883.db2.gz WWHOEDNNFWQMHC-FNORWQNLSA-N 1 0 294.351 1.985 20 5 CDBDRO COC[C@](C)([NH3+])CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000265069924 359084162 /nfs/dbraw/zinc/08/41/62/359084162.db2.gz WDOXFBYBFXSXPF-CQSZACIVSA-N 1 0 290.323 1.919 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000381498453 359052505 /nfs/dbraw/zinc/05/25/05/359052505.db2.gz SAUKGOPUBXJDQH-QTPDZXDFSA-N 1 0 263.297 1.460 20 5 CDBDRO C[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000287853775 359132271 /nfs/dbraw/zinc/13/22/71/359132271.db2.gz LSRUQXSGEUYDAM-NSHDSACASA-N 1 0 293.371 1.225 20 5 CDBDRO COC[C@H](C)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000045696645 359168363 /nfs/dbraw/zinc/16/83/63/359168363.db2.gz RYBZCQINNBYJPG-SNVBAGLBSA-N 1 0 268.313 1.976 20 5 CDBDRO CO[C@@H](C)CN(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339197713 359318303 /nfs/dbraw/zinc/31/83/03/359318303.db2.gz QJYFJZWHDYYGNT-VIFPVBQESA-N 1 0 254.286 1.767 20 5 CDBDRO C[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000050163905 359603962 /nfs/dbraw/zinc/60/39/62/359603962.db2.gz DWYRDJVVWROAEW-GXSJLCMTSA-N 1 0 292.339 1.494 20 5 CDBDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000449462753 359674321 /nfs/dbraw/zinc/67/43/21/359674321.db2.gz VQBFICDHEWNIIR-SMDDNHRTSA-N 1 0 298.314 1.875 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000089108776 283465050 /nfs/dbraw/zinc/46/50/50/283465050.db2.gz PYFGHBCSWQFTSN-ONGXEEELSA-N 1 0 250.302 1.919 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000297300613 200140966 /nfs/dbraw/zinc/14/09/66/200140966.db2.gz DYGJNHGWKDCGKO-PSASIEDQSA-N 1 0 278.312 1.129 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000297468762 200201396 /nfs/dbraw/zinc/20/13/96/200201396.db2.gz YKBPBPDSTAIVNF-BXUZGUMPSA-N 1 0 291.351 1.866 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000429649532 283509238 /nfs/dbraw/zinc/50/92/38/283509238.db2.gz FEKLDRRRFIECHN-LLVKDONJSA-N 1 0 289.291 1.904 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000235374706 360062446 /nfs/dbraw/zinc/06/24/46/360062446.db2.gz ABDSTLBOISGQBR-VVTYTDBCSA-N 1 0 289.335 1.865 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235687510 360606070 /nfs/dbraw/zinc/60/60/70/360606070.db2.gz IUAHAHKVIOSWGX-ONGXEEELSA-N 1 0 263.297 1.465 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(N)=O)cc1[N+](=O)[O-] ZINC000178689577 189137745 /nfs/dbraw/zinc/13/77/45/189137745.db2.gz GVJSOXRCSDNGMW-DTWKUNHWSA-N 1 0 294.311 1.137 20 5 CDBDRO CNc1nc(C(=O)NCCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000455659542 360894893 /nfs/dbraw/zinc/89/48/93/360894893.db2.gz GBDNXWOJCHREHD-UHFFFAOYSA-N 1 0 295.343 1.103 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](Cn2cc([N+](=O)[O-])cc(F)c2=O)CC1 ZINC000572998663 360950080 /nfs/dbraw/zinc/95/00/80/360950080.db2.gz JWHWOPUFCJJXLG-MGCOHNPYSA-N 1 0 283.303 1.661 20 5 CDBDRO CCN(C)C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180454238 189256246 /nfs/dbraw/zinc/25/62/46/189256246.db2.gz USDLAGIKZCVTBY-JTQLQIEISA-N 1 0 265.313 1.724 20 5 CDBDRO C[NH2+][C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000053203228 361204773 /nfs/dbraw/zinc/20/47/73/361204773.db2.gz DIWZIFWYRPXVFL-LBPRGKRZSA-N 1 0 279.340 1.787 20 5 CDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000267680951 361283117 /nfs/dbraw/zinc/28/31/17/361283117.db2.gz MRMYBLLLUYGEGT-MNOVXSKESA-N 1 0 292.339 1.622 20 5 CDBDRO CC1=CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000546586528 366727117 /nfs/dbraw/zinc/72/71/17/366727117.db2.gz JZQYQQVHBZCQQM-UHFFFAOYSA-N 1 0 292.339 1.315 20 5 CDBDRO Cc1c(C[NH2+]C2CCS(=O)(=O)CC2)cccc1[N+](=O)[O-] ZINC000036331958 361672595 /nfs/dbraw/zinc/67/25/95/361672595.db2.gz HQOPEHSYOAUNFW-UHFFFAOYSA-N 1 0 298.364 1.570 20 5 CDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000345813496 363965717 /nfs/dbraw/zinc/96/57/17/363965717.db2.gz GDUGWFVPNGJAHU-CHWSQXEVSA-N 1 0 277.324 1.599 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000582321888 364084392 /nfs/dbraw/zinc/08/43/92/364084392.db2.gz IUHWKYATHFWDOO-ZJUUUORDSA-N 1 0 281.360 1.648 20 5 CDBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000352889763 364438287 /nfs/dbraw/zinc/43/82/87/364438287.db2.gz ZBHPIBNGLKSSCH-QWHCGFSZSA-N 1 0 296.371 1.807 20 5 CDBDRO CC[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174819633 364573749 /nfs/dbraw/zinc/57/37/49/364573749.db2.gz SMCYMMUDKRJHRM-LLVKDONJSA-N 1 0 252.318 1.913 20 5 CDBDRO CC[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000267318443 364772374 /nfs/dbraw/zinc/77/23/74/364772374.db2.gz NZNZNLXVHUBAQU-UHFFFAOYSA-N 1 0 292.339 1.345 20 5 CDBDRO COc1cc(C[NH2+]C[C@H]2CCCN2C)c([N+](=O)[O-])cc1O ZINC000237277818 364869626 /nfs/dbraw/zinc/86/96/26/364869626.db2.gz OWLSZUQCBODRMZ-LLVKDONJSA-N 1 0 295.339 1.493 20 5 CDBDRO O=[N+]([O-])c1ccccc1NCC[NH+]1CCC(O)CC1 ZINC000295978950 370815129 /nfs/dbraw/zinc/81/51/29/370815129.db2.gz KXFHVXCXPUGNMN-UHFFFAOYSA-N 1 0 265.313 1.463 20 5 CDBDRO CC(C)C[C@H]([NH3+])c1noc(-c2cc([N+](=O)[O-])nn2C)n1 ZINC000414614506 241277641 /nfs/dbraw/zinc/27/76/41/241277641.db2.gz HDQIUOXCAQVRQN-ZETCQYMHSA-N 1 0 280.288 1.424 20 5 CDBDRO Cc1ccc(NC(=O)N2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000414651287 241301349 /nfs/dbraw/zinc/30/13/49/241301349.db2.gz BQEMDALBJGAVFU-SNVBAGLBSA-N 1 0 278.312 1.858 20 5 CDBDRO Cc1ccc(NC(=O)N2CCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000414666426 241311143 /nfs/dbraw/zinc/31/11/43/241311143.db2.gz WJRYUSHOIZYYAA-NSHDSACASA-N 1 0 294.311 1.095 20 5 CDBDRO Cc1ccc(NC(=O)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414665825 241311277 /nfs/dbraw/zinc/31/12/77/241311277.db2.gz VMZQDJILJPCQJB-NSHDSACASA-N 1 0 278.312 1.777 20 5 CDBDRO [NH3+]C[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000414814061 241399099 /nfs/dbraw/zinc/39/90/99/241399099.db2.gz YXJVWHGZDSOVGH-LQPUYASZSA-N 1 0 261.325 1.935 20 5 CDBDRO CCOc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000090322686 367031263 /nfs/dbraw/zinc/03/12/63/367031263.db2.gz GKRQPIKDGDGKNW-PHIMTYICSA-N 1 0 277.324 1.649 20 5 CDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CC[NH2+]C2)c1 ZINC000414893844 241444430 /nfs/dbraw/zinc/44/44/30/241444430.db2.gz ZPOFSQDDHHEIGU-VIFPVBQESA-N 1 0 287.266 1.648 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1CCC[NH2+]C1 ZINC000414861090 370898585 /nfs/dbraw/zinc/89/85/85/370898585.db2.gz DXMPMRUOQOJAAL-ACVFHECNSA-N 1 0 261.325 1.950 20 5 CDBDRO O=[N+]([O-])c1ccc(CN[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000414868524 370918169 /nfs/dbraw/zinc/91/81/69/370918169.db2.gz QBAWGPZLMYOPBV-JTQLQIEISA-N 1 0 253.277 1.576 20 5 CDBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1C[NH2+]C1 ZINC000420318977 244077540 /nfs/dbraw/zinc/07/75/40/244077540.db2.gz QWIPISJVYXTITI-UHFFFAOYSA-N 1 0 298.730 1.090 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420347085 244121442 /nfs/dbraw/zinc/12/14/42/244121442.db2.gz FQAUEFMUXBVDBK-BETUJISGSA-N 1 0 291.351 1.930 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000420374432 244167980 /nfs/dbraw/zinc/16/79/80/244167980.db2.gz RZGUHYHJYNDOOJ-XUJVJEKNSA-N 1 0 293.367 1.950 20 5 CDBDRO C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000420405486 244206824 /nfs/dbraw/zinc/20/68/24/244206824.db2.gz SXFLSWUHLCGCKB-RYUDHWBXSA-N 1 0 279.340 1.656 20 5 CDBDRO C[NH+](C)CC(C)(C)CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420590845 244269121 /nfs/dbraw/zinc/26/91/21/244269121.db2.gz UMJUJSYMCURBPD-UHFFFAOYSA-N 1 0 294.355 1.693 20 5 CDBDRO CCCN1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1=O ZINC000421350175 244656833 /nfs/dbraw/zinc/65/68/33/244656833.db2.gz KOVDYFICAXHVDV-ZDUSSCGKSA-N 1 0 291.351 1.943 20 5 CDBDRO CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)C1CC([NH3+])C1 ZINC000295363492 370047088 /nfs/dbraw/zinc/04/70/88/370047088.db2.gz ZQBXSZZLPVZIGX-UHFFFAOYSA-N 1 0 295.364 1.635 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@H](C)C[NH3+] ZINC000414928822 370384933 /nfs/dbraw/zinc/38/49/33/370384933.db2.gz NFXVROOQQJVVKH-SECBINFHSA-N 1 0 253.302 1.430 20 5 CDBDRO Cc1nc(NC[C@H](C)C[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000295564652 370489125 /nfs/dbraw/zinc/48/91/25/370489125.db2.gz QQPJWUSIQKJSJC-JTQLQIEISA-N 1 0 279.344 1.837 20 5 CDBDRO Cn1c(C(=O)NCC[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000331582761 203987180 /nfs/dbraw/zinc/98/71/80/203987180.db2.gz WUJFYDNFUPPXQC-UHFFFAOYSA-N 1 0 294.355 1.539 20 5 CDBDRO Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000471800055 372803586 /nfs/dbraw/zinc/80/35/86/372803586.db2.gz SUIMUROKEQAKFW-ZYHUDNBSSA-N 1 0 250.298 1.858 20 5 CDBDRO Cc1nc(N2CC[C@@H](C)[C@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000581062684 372809731 /nfs/dbraw/zinc/80/97/31/372809731.db2.gz LDWYISLIOZOOFT-PSASIEDQSA-N 1 0 265.317 1.114 20 5 CDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[NH+](C)C ZINC000298355537 373512040 /nfs/dbraw/zinc/51/20/40/373512040.db2.gz OAZBGKATRGHUSP-SSDOTTSWSA-N 1 0 257.315 1.336 20 5 CDBDRO C[C@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000253184412 373650369 /nfs/dbraw/zinc/65/03/69/373650369.db2.gz HHOBDBVHWMSZMI-GXSJLCMTSA-N 1 0 292.339 1.115 20 5 CDBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000330541852 373698612 /nfs/dbraw/zinc/69/86/12/373698612.db2.gz AEJUOXBKUYHJIY-NSHDSACASA-N 1 0 294.355 1.395 20 5 CDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])n1 ZINC000423687991 245981440 /nfs/dbraw/zinc/98/14/40/245981440.db2.gz WFJNCSGZRWDSTE-UWVGGRQHSA-N 1 0 295.343 1.011 20 5 CDBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000274125287 374132886 /nfs/dbraw/zinc/13/28/86/374132886.db2.gz XNSKXCITLOJQAM-NWDGAFQWSA-N 1 0 280.324 1.988 20 5 CDBDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000113349652 374252799 /nfs/dbraw/zinc/25/27/99/374252799.db2.gz MSNMAYWFUJHCJL-JTQLQIEISA-N 1 0 286.353 1.508 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418230288 374257187 /nfs/dbraw/zinc/25/71/87/374257187.db2.gz JDTGDPKVNMTKLJ-UWVGGRQHSA-N 1 0 280.328 1.563 20 5 CDBDRO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H]3C[C@@H](O)C3)CC2)c1 ZINC000420906595 374304476 /nfs/dbraw/zinc/30/44/76/374304476.db2.gz SSSHVJZZCIEBKZ-JNSHFYNHSA-N 1 0 291.351 1.488 20 5 CDBDRO NC(=O)C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000368578603 374317980 /nfs/dbraw/zinc/31/79/80/374317980.db2.gz OPBCLPUZFODUTA-JTQLQIEISA-N 1 0 263.297 1.292 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000423672004 374392287 /nfs/dbraw/zinc/39/22/87/374392287.db2.gz DGCTVTJRHMBOSB-BDAKNGLRSA-N 1 0 281.312 1.459 20 5 CDBDRO C[C@H](NC[C@H]1C[NH2+]CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423487764 374384738 /nfs/dbraw/zinc/38/47/38/374384738.db2.gz XTXNJEOAVMXHCS-SMDDNHRTSA-N 1 0 278.356 1.149 20 5 CDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000375802693 374514426 /nfs/dbraw/zinc/51/44/26/374514426.db2.gz VSUJVWWNNRKLGZ-STQMWFEESA-N 1 0 293.371 1.350 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000423951086 246247252 /nfs/dbraw/zinc/24/72/52/246247252.db2.gz OSHIPWHCWWZJNK-LBPRGKRZSA-N 1 0 295.339 1.463 20 5 CDBDRO [NH3+][C@@H]1C[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000424143997 246355326 /nfs/dbraw/zinc/35/53/26/246355326.db2.gz RMCVKIZMSONUQB-QWHCGFSZSA-N 1 0 277.324 1.381 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC3CCC2CC3)c1 ZINC000378378441 374643758 /nfs/dbraw/zinc/64/37/58/374643758.db2.gz FNDSWHKIJPIYOW-GCZXYKMCSA-N 1 0 280.328 1.027 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000070174917 374655841 /nfs/dbraw/zinc/65/58/41/374655841.db2.gz UGQFEWQEGZPDIZ-IUCAKERBSA-N 1 0 295.368 1.868 20 5 CDBDRO C[C@@H]([NH3+])CCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000070317331 374660771 /nfs/dbraw/zinc/66/07/71/374660771.db2.gz RGUUPNDARXLEOM-SNVBAGLBSA-N 1 0 265.313 1.381 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000070577327 374666176 /nfs/dbraw/zinc/66/61/76/374666176.db2.gz WOHQWWJBIJCCIJ-QWHCGFSZSA-N 1 0 291.351 1.771 20 5 CDBDRO CCOC(=O)[C@@](C)(O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000274676846 374680773 /nfs/dbraw/zinc/68/07/73/374680773.db2.gz VDUSOKUDAZAMCZ-HZMBPMFUSA-N 1 0 296.323 1.560 20 5 CDBDRO CN(CC(C)(C)C[NH3+])C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000093873501 374789938 /nfs/dbraw/zinc/78/99/38/374789938.db2.gz OHDIREBLFYHNQX-UHFFFAOYSA-N 1 0 265.313 1.652 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C[S@@](C)=O ZINC000449237107 374793519 /nfs/dbraw/zinc/79/35/19/374793519.db2.gz AODOMFBREROSSH-RMDKCXRXSA-N 1 0 284.381 1.882 20 5 CDBDRO CC(=O)N[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000330450260 374856377 /nfs/dbraw/zinc/85/63/77/374856377.db2.gz JICGCJFLSWKYCA-AWEZNQCLSA-N 1 0 291.351 1.738 20 5 CDBDRO CC(C)OC[C@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282479513 375088613 /nfs/dbraw/zinc/08/86/13/375088613.db2.gz OOSFFUBUUWBFHD-OAHLLOKOSA-N 1 0 296.367 1.855 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000162447759 375354590 /nfs/dbraw/zinc/35/45/90/375354590.db2.gz BWABLXYYFUKZLD-RYUDHWBXSA-N 1 0 277.324 1.903 20 5 CDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000493240212 375428733 /nfs/dbraw/zinc/42/87/33/375428733.db2.gz OEASLOLXHNMYIA-UOVPLHEMSA-N 1 0 291.282 1.081 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000132288923 375441107 /nfs/dbraw/zinc/44/11/07/375441107.db2.gz UCWRDNLJKJJBNQ-NXEZZACHSA-N 1 0 278.312 1.796 20 5 CDBDRO CC[N@@H+]1CC[C@@H](NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000493331039 375444204 /nfs/dbraw/zinc/44/42/04/375444204.db2.gz FZYBADACXRTDNA-FMFIFOJESA-N 1 0 289.335 1.818 20 5 CDBDRO COC[C@H](O)CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344787248 375445642 /nfs/dbraw/zinc/44/56/42/375445642.db2.gz DDHOBFAQAAIHMO-INDWDQIESA-N 1 0 294.351 1.985 20 5 CDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H]1C ZINC000353235800 375589898 /nfs/dbraw/zinc/58/98/98/375589898.db2.gz SAHFLBLJUASLAS-VHSXEESVSA-N 1 0 295.343 1.263 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCC(=O)NC1 ZINC000344846462 375595938 /nfs/dbraw/zinc/59/59/38/375595938.db2.gz IVUFQZQJUKRPAM-YLBKJLTLSA-N 1 0 289.335 1.866 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)NC1CC1 ZINC000344845415 375564938 /nfs/dbraw/zinc/56/49/38/375564938.db2.gz IJKVHBQAJDGZJM-YRNVUSSQSA-N 1 0 289.335 1.866 20 5 CDBDRO CCOC[C@H]1CCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000354402490 375704597 /nfs/dbraw/zinc/70/45/97/375704597.db2.gz HTUGWOOTHADHBP-YPMHNXCESA-N 1 0 282.344 1.586 20 5 CDBDRO O=[N+]([O-])c1cccc(OCCN2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428047700 247236400 /nfs/dbraw/zinc/23/64/00/247236400.db2.gz ZGQNTAZMNVTUMD-IUODEOHRSA-N 1 0 291.351 1.657 20 5 CDBDRO CSC[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000217848100 375748196 /nfs/dbraw/zinc/74/81/96/375748196.db2.gz KCWOTCOQTUYSHF-GFCCVEGCSA-N 1 0 270.354 1.798 20 5 CDBDRO O=[N+]([O-])c1cccc(OCCN2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428047699 247235948 /nfs/dbraw/zinc/23/59/48/247235948.db2.gz ZGQNTAZMNVTUMD-DOMZBBRYSA-N 1 0 291.351 1.657 20 5 CDBDRO COCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047742791 375854945 /nfs/dbraw/zinc/85/49/45/375854945.db2.gz RBGBMWXMOSIVBJ-UHFFFAOYSA-N 1 0 265.313 1.363 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000134163954 375926436 /nfs/dbraw/zinc/92/64/36/375926436.db2.gz DXSCJRICRCVPQL-DTWKUNHWSA-N 1 0 251.286 1.194 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[NH2+]CCO1 ZINC000134266985 375945795 /nfs/dbraw/zinc/94/57/95/375945795.db2.gz HLOSHWKHHDEWHG-NSHDSACASA-N 1 0 251.286 1.304 20 5 CDBDRO COc1ccc(C[N@H+](C)CCn2cccn2)cc1[N+](=O)[O-] ZINC000171040853 376044888 /nfs/dbraw/zinc/04/48/88/376044888.db2.gz IFPXPCFNSNFYHH-UHFFFAOYSA-N 1 0 290.323 1.932 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347410570 376108839 /nfs/dbraw/zinc/10/88/39/376108839.db2.gz PBAOJGJSMKAELR-JTQLQIEISA-N 1 0 287.323 1.324 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000172171114 377322568 /nfs/dbraw/zinc/32/25/68/377322568.db2.gz GEDZMVZAAHJYKD-NSHDSACASA-N 1 0 292.339 1.322 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000331585918 284665923 /nfs/dbraw/zinc/66/59/23/284665923.db2.gz KFAKEKGCJUDOFF-CMPLNLGQSA-N 1 0 292.339 1.527 20 5 CDBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000385671952 377844930 /nfs/dbraw/zinc/84/49/30/377844930.db2.gz HPXUCFDNXBFCGN-ZYHUDNBSSA-N 1 0 250.298 1.798 20 5 CDBDRO CCc1ccc(C(=O)NC[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000266924946 378742032 /nfs/dbraw/zinc/74/20/32/378742032.db2.gz LNPCRUXOIQIFQE-LLVKDONJSA-N 1 0 291.351 1.839 20 5 CDBDRO C[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000278768551 194147699 /nfs/dbraw/zinc/14/76/99/194147699.db2.gz LBGSAFVJODXWRJ-MJVIPROJSA-N 1 0 280.324 1.785 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[NH+]1CCCC1 ZINC000288209178 197027404 /nfs/dbraw/zinc/02/74/04/197027404.db2.gz UHWWUQGRXPHWLY-UHFFFAOYSA-N 1 0 267.333 1.627 20 5 CDBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000449682009 250967261 /nfs/dbraw/zinc/96/72/61/250967261.db2.gz NEQGRWXFBYDSPW-GFCCVEGCSA-N 1 0 295.314 1.996 20 5 CDBDRO CC[NH2+]CCCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493141322 253381294 /nfs/dbraw/zinc/38/12/94/253381294.db2.gz QDVMJUUMCOZCPO-FNORWQNLSA-N 1 0 295.314 1.863 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261598650 285156507 /nfs/dbraw/zinc/15/65/07/285156507.db2.gz PERPGEGOIJGCFX-UWVGGRQHSA-N 1 0 265.288 1.780 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000285930126 390188285 /nfs/dbraw/zinc/18/82/85/390188285.db2.gz FLRIKKWYSWFZMV-VYUIOLGVSA-N 1 0 292.339 1.293 20 5 CDBDRO C[C@@H]1CCSCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000286242705 390193541 /nfs/dbraw/zinc/19/35/41/390193541.db2.gz RUWXQARPUIALQU-SNVBAGLBSA-N 1 0 270.358 1.619 20 5 CDBDRO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1C[NH3+] ZINC000163606791 390416786 /nfs/dbraw/zinc/41/67/86/390416786.db2.gz SYSDDADZQFTFBK-IUCAKERBSA-N 1 0 267.285 1.245 20 5 CDBDRO C[C@H](CC[NH+](C)C)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000282259234 195554164 /nfs/dbraw/zinc/55/41/64/195554164.db2.gz SAMBISNZBNIWIQ-SECBINFHSA-N 1 0 252.318 1.929 20 5 CDBDRO CC1(C)CCC[N@@H+]1CCNc1ncc([N+](=O)[O-])s1 ZINC000450948180 390580653 /nfs/dbraw/zinc/58/06/53/390580653.db2.gz DXQZRKPZXSYZBT-UHFFFAOYSA-N 1 0 270.358 1.760 20 5 CDBDRO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551350 390629597 /nfs/dbraw/zinc/62/95/97/390629597.db2.gz UKTFPVSGVHPRQU-PWSUYJOCSA-N 1 0 277.324 1.648 20 5 CDBDRO CC(C)c1n[nH]c(C(=O)NCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000269447218 391092348 /nfs/dbraw/zinc/09/23/48/391092348.db2.gz QQUBXJCPOKKSAR-UHFFFAOYSA-N 1 0 295.343 1.265 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000088059112 391247410 /nfs/dbraw/zinc/24/74/10/391247410.db2.gz ANKTXOWALHLBIF-MRVPVSSYSA-N 1 0 267.260 1.168 20 5 CDBDRO Cc1cc(N2CC[C@@H](C[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000266798904 391357472 /nfs/dbraw/zinc/35/74/72/391357472.db2.gz BIBPKBRCBUFYIL-NSHDSACASA-N 1 0 264.329 1.686 20 5 CDBDRO COCCN1CC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000268891120 391461607 /nfs/dbraw/zinc/46/16/07/391461607.db2.gz JJSWVHUURASZJY-JSGCOSHPSA-N 1 0 293.367 1.966 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH2+]CC1 ZINC000415484384 391466230 /nfs/dbraw/zinc/46/62/30/391466230.db2.gz OCOPBMDYNHGWAE-UHFFFAOYSA-N 1 0 278.312 1.649 20 5 CDBDRO C[NH2+]CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000415481421 391466466 /nfs/dbraw/zinc/46/64/66/391466466.db2.gz JBIJYQFXDNRRBH-UHFFFAOYSA-N 1 0 266.301 1.553 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000415497493 391467579 /nfs/dbraw/zinc/46/75/79/391467579.db2.gz HWBOTBBRJCIMIO-VIFPVBQESA-N 1 0 280.328 1.880 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[NH2+]C ZINC000415653178 391470865 /nfs/dbraw/zinc/47/08/65/391470865.db2.gz HZODJJFXTCLSCL-UHFFFAOYSA-N 1 0 296.327 1.677 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000307915412 391471204 /nfs/dbraw/zinc/47/12/04/391471204.db2.gz RQVSMFXAOCJCFR-LBPRGKRZSA-N 1 0 277.324 1.774 20 5 CDBDRO C[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094342353 391519019 /nfs/dbraw/zinc/51/90/19/391519019.db2.gz GNJBQOBGJFRGRQ-YUMQZZPRSA-N 1 0 281.341 1.478 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000266326216 391713974 /nfs/dbraw/zinc/71/39/74/391713974.db2.gz GEPXAZYZRAKUQV-RYUDHWBXSA-N 1 0 294.355 1.190 20 5 CDBDRO COCCO[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000189676125 130006367 /nfs/dbraw/zinc/00/63/67/130006367.db2.gz PKZZFWZXAFCEDA-HNNXBMFYSA-N 1 0 294.351 1.875 20 5 CDBDRO Cc1c(C[N@H+]2C[C@@H](C)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000190846954 130153493 /nfs/dbraw/zinc/15/34/93/130153493.db2.gz MUOXSACJUTVWCO-MFKMUULPSA-N 1 0 264.325 1.963 20 5 CDBDRO CC[C@@]1(O)CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000495228726 391907489 /nfs/dbraw/zinc/90/74/89/391907489.db2.gz LWLLVKLLQQIVJK-CQSZACIVSA-N 1 0 280.324 1.950 20 5 CDBDRO C[C@H]([NH2+]C[C@@H]1CN(C)C(=O)O1)c1ccc([N+](=O)[O-])cc1 ZINC000496846448 391928236 /nfs/dbraw/zinc/92/82/36/391928236.db2.gz LMQKCTHEDGAJCF-JOYOIKCWSA-N 1 0 279.296 1.696 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(c3ncccc3[N+](=O)[O-])CC[C@@H]21 ZINC000133454191 391930424 /nfs/dbraw/zinc/93/04/24/391930424.db2.gz SQIFWFXVQCGKIJ-RYUDHWBXSA-N 1 0 276.340 1.910 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235447659 130950887 /nfs/dbraw/zinc/95/08/87/130950887.db2.gz TYLWKQNKKWSUPB-NXEZZACHSA-N 1 0 263.297 1.465 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000237228243 131016003 /nfs/dbraw/zinc/01/60/03/131016003.db2.gz PUZKZFBSMJWTAF-GFCCVEGCSA-N 1 0 293.323 1.184 20 5 CDBDRO C[NH2+]CCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000237292323 131021320 /nfs/dbraw/zinc/02/13/20/131021320.db2.gz RVAQZVHKAQYSSH-UHFFFAOYSA-N 1 0 285.731 1.469 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000237624047 131047871 /nfs/dbraw/zinc/04/78/71/131047871.db2.gz IXNBLQXOBZLQRE-ZJUUUORDSA-N 1 0 297.380 1.881 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000237944823 131068203 /nfs/dbraw/zinc/06/82/03/131068203.db2.gz FRNYXKNXBBBMES-ZDUSSCGKSA-N 1 0 277.324 1.477 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[NH2+]C1 ZINC000238067499 131074945 /nfs/dbraw/zinc/07/49/45/131074945.db2.gz SIQHJQDKAOHHQR-GFCCVEGCSA-N 1 0 277.324 1.396 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261584986 131153886 /nfs/dbraw/zinc/15/38/86/131153886.db2.gz ICIYHIILDOYYNY-PSASIEDQSA-N 1 0 281.337 1.338 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000261684935 131161956 /nfs/dbraw/zinc/16/19/56/131161956.db2.gz MTEGDYSUUONTHW-SMDDNHRTSA-N 1 0 289.335 1.727 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000262597218 131238270 /nfs/dbraw/zinc/23/82/70/131238270.db2.gz LCLCTSTYJYSHNC-SECBINFHSA-N 1 0 298.318 1.563 20 5 CDBDRO CC(C)([NH3+])CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000262616800 131242180 /nfs/dbraw/zinc/24/21/80/131242180.db2.gz GIZWLGUSNGSDBX-UHFFFAOYSA-N 1 0 281.312 1.217 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000262844538 131266688 /nfs/dbraw/zinc/26/66/88/131266688.db2.gz RPLTYXHVGMPCIS-GXFFZTMASA-N 1 0 277.324 1.631 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000262906809 131272612 /nfs/dbraw/zinc/27/26/12/131272612.db2.gz YCZMVOOBOROQFH-GXFFZTMASA-N 1 0 293.323 1.088 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H]2CC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000263790587 131332041 /nfs/dbraw/zinc/33/20/41/131332041.db2.gz XTUZTLLJRFHWDZ-LLVKDONJSA-N 1 0 263.297 1.224 20 5 CDBDRO Cc1cc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000524775388 392919043 /nfs/dbraw/zinc/91/90/43/392919043.db2.gz JZWUXJMVSNDRER-LLVKDONJSA-N 1 0 291.351 1.975 20 5 CDBDRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000419804398 392897303 /nfs/dbraw/zinc/89/73/03/392897303.db2.gz DALXGDFQPYVECV-OLZOCXBDSA-N 1 0 268.313 1.206 20 5 CDBDRO Cc1nc(NCC[NH2+]C2CCCCCC2)ncc1[N+](=O)[O-] ZINC000420196242 392904225 /nfs/dbraw/zinc/90/42/25/392904225.db2.gz LIPHPOOPUHXXHH-UHFFFAOYSA-N 1 0 293.371 1.839 20 5 CDBDRO C[NH2+]C[C@@H](C)CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000420212958 392905449 /nfs/dbraw/zinc/90/54/49/392905449.db2.gz UPMQNPATRUQJMT-MRVPVSSYSA-N 1 0 252.318 1.874 20 5 CDBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)NCCF ZINC000521643477 392868140 /nfs/dbraw/zinc/86/81/40/392868140.db2.gz FXIHBQABULLBKR-SKDRFNHKSA-N 1 0 295.314 1.646 20 5 CDBDRO COC[C@@](C)([NH3+])CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000268451726 132011106 /nfs/dbraw/zinc/01/11/06/132011106.db2.gz FVVCTULLMAINLT-NSHDSACASA-N 1 0 254.290 1.074 20 5 CDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000525803870 392937682 /nfs/dbraw/zinc/93/76/82/392937682.db2.gz VZBIINFQZUBAKX-SNVBAGLBSA-N 1 0 295.314 1.806 20 5 CDBDRO CC(C)(C(=O)N1CC[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000269200554 132129888 /nfs/dbraw/zinc/12/98/88/132129888.db2.gz MINNRIHGHHJSQP-NSHDSACASA-N 1 0 277.324 1.432 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000421699673 392942836 /nfs/dbraw/zinc/94/28/36/392942836.db2.gz BTYAEYMGOPOSDV-CQSZACIVSA-N 1 0 291.351 1.690 20 5 CDBDRO CCOc1ccc([C@H](C)NCC[NH3+])cc1[N+](=O)[O-] ZINC000423175976 392958339 /nfs/dbraw/zinc/95/83/39/392958339.db2.gz BIJRJCQFHFARAB-VIFPVBQESA-N 1 0 253.302 1.603 20 5 CDBDRO Cc1c(CC(=O)N[C@@H](C)[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000423683929 392967047 /nfs/dbraw/zinc/96/70/47/392967047.db2.gz QSANKRWUHFJPGM-UWVGGRQHSA-N 1 0 265.313 1.298 20 5 CDBDRO C[NH2+][C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430644718 393102309 /nfs/dbraw/zinc/10/23/09/393102309.db2.gz ZFFLMHCLHKEMCB-LLVKDONJSA-N 1 0 265.313 1.267 20 5 CDBDRO CC(=O)NCCCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131421288 393037070 /nfs/dbraw/zinc/03/70/70/393037070.db2.gz NSXJCSXUQMBJCQ-UHFFFAOYSA-N 1 0 277.324 1.479 20 5 CDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH3+])C1 ZINC000430935470 393105509 /nfs/dbraw/zinc/10/55/09/393105509.db2.gz UDGYHMFMJVPKTA-MNOVXSKESA-N 1 0 292.339 1.202 20 5 CDBDRO COC[C@](C)(O)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000532500351 393074831 /nfs/dbraw/zinc/07/48/31/393074831.db2.gz PXLMXXWLMUCQKS-SWLSCSKDSA-N 1 0 296.367 1.903 20 5 CDBDRO Nc1c(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000449641773 393137695 /nfs/dbraw/zinc/13/76/95/393137695.db2.gz FCXCIQLXMIDGEH-ZJUUUORDSA-N 1 0 292.339 1.424 20 5 CDBDRO [NH3+]C1(CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000493662913 393217449 /nfs/dbraw/zinc/21/74/49/393217449.db2.gz PXWHWODETLFKCA-HWKANZROSA-N 1 0 293.298 1.745 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493749729 393220011 /nfs/dbraw/zinc/22/00/11/393220011.db2.gz SPQKZCFCWKKHSN-SBXZVLJPSA-N 1 0 295.314 1.989 20 5 CDBDRO O=[N+]([O-])c1cnn(CCNc2cc[nH+]c3ccccc23)c1 ZINC000493790140 393221394 /nfs/dbraw/zinc/22/13/94/393221394.db2.gz FYIQAWUQGWLLHE-UHFFFAOYSA-N 1 0 283.291 1.874 20 5 CDBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494226630 393228859 /nfs/dbraw/zinc/22/88/59/393228859.db2.gz IYYHUANPBZBGKZ-IINYFYTJSA-N 1 0 293.323 1.690 20 5 CDBDRO CO[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC000487954483 393355947 /nfs/dbraw/zinc/35/59/47/393355947.db2.gz FGPQSTLUWIGLBS-OKILXGFUSA-N 1 0 296.323 1.319 20 5 CDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000275751257 135112172 /nfs/dbraw/zinc/11/21/72/135112172.db2.gz DFRNXZNCDDDEEK-LBPRGKRZSA-N 1 0 293.367 1.876 20 5 CDBDRO O=[N+]([O-])c1cccc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000149393956 139900683 /nfs/dbraw/zinc/90/06/83/139900683.db2.gz VOLMDLJMANIQAC-OLZOCXBDSA-N 1 0 261.325 1.921 20 5 CDBDRO Cc1ccc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000159865419 139906865 /nfs/dbraw/zinc/90/68/65/139906865.db2.gz IKKKSFNYHLJPRT-ZDUSSCGKSA-N 1 0 277.324 1.713 20 5 CDBDRO O=C(NCC1=CC[NH2+]CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000169269612 139936534 /nfs/dbraw/zinc/93/65/34/139936534.db2.gz KDDRPJNBZWAUDT-UHFFFAOYSA-N 1 0 279.271 1.383 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC1(O)CCCCCC1 ZINC000187342635 140078491 /nfs/dbraw/zinc/07/84/91/140078491.db2.gz NNNAORYCEQEZIK-UHFFFAOYSA-N 1 0 296.371 1.808 20 5 CDBDRO CNC(=O)c1ccc(N[C@H]2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000212642059 140161124 /nfs/dbraw/zinc/16/11/24/140161124.db2.gz XPZKXMCTHZICDI-MNOVXSKESA-N 1 0 292.339 1.494 20 5 CDBDRO COCC[NH2+]CCNc1ccc([N+](=O)[O-])cc1C ZINC000215521038 140161969 /nfs/dbraw/zinc/16/19/69/140161969.db2.gz MMHSPZMSELDHBZ-UHFFFAOYSA-N 1 0 253.302 1.551 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000229590342 140202730 /nfs/dbraw/zinc/20/27/30/140202730.db2.gz ZLPDGFUMELDSNW-CABZTGNLSA-N 1 0 278.312 1.857 20 5 CDBDRO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000229578374 140202811 /nfs/dbraw/zinc/20/28/11/140202811.db2.gz CWPIQSCKCZWOPY-GXFFZTMASA-N 1 0 280.324 1.806 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCC[NH2+]CC1 ZINC000231467565 140216129 /nfs/dbraw/zinc/21/61/29/140216129.db2.gz ZISSNPMSTMMEFQ-VIFPVBQESA-N 1 0 283.353 1.870 20 5 CDBDRO CC(C)(NC(=O)C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000236650142 140241955 /nfs/dbraw/zinc/24/19/55/140241955.db2.gz KFZIPODAVQHZNM-UHFFFAOYSA-N 1 0 291.351 1.946 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]([NH3+])C1CC1 ZINC000261584427 140356014 /nfs/dbraw/zinc/35/60/14/140356014.db2.gz SFCYSNULBWMWIO-VIFPVBQESA-N 1 0 253.306 1.269 20 5 CDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000261596581 140360080 /nfs/dbraw/zinc/36/00/80/140360080.db2.gz AIAJQXZPKVSHRJ-TVYUQYBPSA-N 1 0 290.323 1.796 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@]1(COC)CCC[NH2+]1 ZINC000261609065 140363930 /nfs/dbraw/zinc/36/39/30/140363930.db2.gz DNQUTRZIHWVWKX-CYBMUJFWSA-N 1 0 297.359 1.300 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000261621056 140364979 /nfs/dbraw/zinc/36/49/79/140364979.db2.gz GKERLTIHJCQYOI-OLZOCXBDSA-N 1 0 289.335 1.585 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261653659 140369350 /nfs/dbraw/zinc/36/93/50/140369350.db2.gz YLDPBGRQZTYRNN-DGCLKSJQSA-N 1 0 261.325 1.636 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CC[C@]3(CC[NH2+]C3)C2)c(F)c1 ZINC000261696774 140376127 /nfs/dbraw/zinc/37/61/27/140376127.db2.gz IBXASHVMQYQJEE-AWEZNQCLSA-N 1 0 279.315 1.919 20 5 CDBDRO C[C@]1(C[NH3+])CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000261843335 140398330 /nfs/dbraw/zinc/39/83/30/140398330.db2.gz WACTTYBMHOLFJX-CQSZACIVSA-N 1 0 277.324 1.335 20 5 CDBDRO CCc1ccc(C(=O)N2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000174004059 397608102 /nfs/dbraw/zinc/60/81/02/397608102.db2.gz DKBSUTRQSBIEMB-UHFFFAOYSA-N 1 0 291.351 1.935 20 5 CDBDRO O=C(C[C@H]1CCC[NH2+]1)NCCc1ccccc1[N+](=O)[O-] ZINC000262406384 149059445 /nfs/dbraw/zinc/05/94/45/149059445.db2.gz OQHOYIRYQCZVKR-GFCCVEGCSA-N 1 0 277.324 1.396 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CC[NH3+])c1 ZINC000336793529 151711356 /nfs/dbraw/zinc/71/13/56/151711356.db2.gz XBXIOCXLCWENKS-VIFPVBQESA-N 1 0 251.286 1.370 20 5 CDBDRO C[C@@H]1[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343542655 152217093 /nfs/dbraw/zinc/21/70/93/152217093.db2.gz YQTOSXTVPMTYTH-SKDRFNHKSA-N 1 0 295.314 1.946 20 5 CDBDRO Cc1cnc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])n1C ZINC000348937326 154010737 /nfs/dbraw/zinc/01/07/37/154010737.db2.gz VVJOLQIPEPBEDG-UHFFFAOYSA-N 1 0 289.339 1.602 20 5 CDBDRO CC(C)[N@@H+]1CCCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000350071160 154319857 /nfs/dbraw/zinc/31/98/57/154319857.db2.gz IHFDFUMMLAINPL-UHFFFAOYSA-N 1 0 281.360 1.207 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CC[C@@H](CO)O2)c1 ZINC000353711991 156034324 /nfs/dbraw/zinc/03/43/24/156034324.db2.gz UZLBONAPBDWNGP-STQMWFEESA-N 1 0 266.297 1.224 20 5 CDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000354019634 156229915 /nfs/dbraw/zinc/22/99/15/156229915.db2.gz JNQJRYGRHWMHBE-VIFPVBQESA-N 1 0 267.285 1.354 20 5 CDBDRO COC[C@H]([NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000354069134 156251652 /nfs/dbraw/zinc/25/16/52/156251652.db2.gz XZBVTHVDKDGFLM-ZDUSSCGKSA-N 1 0 295.339 1.007 20 5 CDBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CC[C@H](C)C1 ZINC000362158606 159087821 /nfs/dbraw/zinc/08/78/21/159087821.db2.gz SODYEMYJFSKNDD-STQMWFEESA-N 1 0 296.371 1.928 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CC3(C2)CCCCC3)c1 ZINC000363981151 159361114 /nfs/dbraw/zinc/36/11/14/159361114.db2.gz ZZCPYFORXOJMHX-ZDUSSCGKSA-N 1 0 294.355 1.418 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000374506344 160290714 /nfs/dbraw/zinc/29/07/14/160290714.db2.gz NAVSXOXSSYOHSA-UHFFFAOYSA-N 1 0 295.364 1.872 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000285493652 196304454 /nfs/dbraw/zinc/30/44/54/196304454.db2.gz POQNUGWAECQXIG-JTQLQIEISA-N 1 0 293.327 1.018 20 5 CDBDRO CNC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000037224698 173044766 /nfs/dbraw/zinc/04/47/66/173044766.db2.gz VOQKBGZZSJNCRK-VIFPVBQESA-N 1 0 251.286 1.300 20 5 CDBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1csc([N+](=O)[O-])c1 ZINC000044491663 175180928 /nfs/dbraw/zinc/18/09/28/175180928.db2.gz VSAXBFSWLLSERQ-SECBINFHSA-N 1 0 269.326 1.528 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000044491653 175181074 /nfs/dbraw/zinc/18/10/74/175181074.db2.gz YVUBEENFJUMUFC-LBPRGKRZSA-N 1 0 277.324 1.775 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000044491991 175181113 /nfs/dbraw/zinc/18/11/13/175181113.db2.gz RHXXGUVSGWAWMV-LLVKDONJSA-N 1 0 277.324 1.775 20 5 CDBDRO CCCNC(=O)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000045073783 175302403 /nfs/dbraw/zinc/30/24/03/175302403.db2.gz WDGAKESYEUNPFQ-UHFFFAOYSA-N 1 0 279.340 1.643 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000071143049 176040807 /nfs/dbraw/zinc/04/08/07/176040807.db2.gz XPHONERNDCNIHV-LLVKDONJSA-N 1 0 277.324 1.585 20 5 CDBDRO C[C@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000088059073 260253903 /nfs/dbraw/zinc/25/39/03/260253903.db2.gz SWVDKEQGPUBDPH-QRGHLMKCSA-N 1 0 275.308 1.428 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000518188313 260353113 /nfs/dbraw/zinc/35/31/13/260353113.db2.gz RFQYYCWNFTUNRE-CYBMUJFWSA-N 1 0 278.312 1.139 20 5 CDBDRO CC1(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000189329030 270276801 /nfs/dbraw/zinc/27/68/01/270276801.db2.gz ZMGNNHMCWFUSKZ-AATRIKPKSA-N 1 0 289.335 1.866 20 5 CDBDRO Cc1ccc(NC(=O)[C@@H]([NH3+])C2CCC2)cc1[N+](=O)[O-] ZINC000399226635 270371124 /nfs/dbraw/zinc/37/11/24/270371124.db2.gz NIYAYTBIGMYTIT-LBPRGKRZSA-N 1 0 263.297 1.969 20 5 CDBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)C[C@@H]1[NH+](C)C ZINC000271025698 274186847 /nfs/dbraw/zinc/18/68/47/274186847.db2.gz GLCXSXYBEHOPQO-RYUDHWBXSA-N 1 0 296.396 1.780 20 5 CDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000286025949 274387089 /nfs/dbraw/zinc/38/70/89/274387089.db2.gz ZUYSFYKBSJUFEV-GHMZBOCLSA-N 1 0 293.323 1.887 20 5 CDBDRO Cc1cc(C(=O)N2CCCC[C@@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000135221329 274677994 /nfs/dbraw/zinc/67/79/94/274677994.db2.gz DNOLRCLGQHGXKH-GFCCVEGCSA-N 1 0 277.324 1.857 20 5 CDBDRO O=C([C@H]1CCC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000159606205 275008244 /nfs/dbraw/zinc/00/82/44/275008244.db2.gz MUXLMERZWDMRJY-LBPRGKRZSA-N 1 0 289.335 1.479 20 5 CDBDRO CC(C)(C)c1ccc(C(=O)NCCC[NH3+])cc1[N+](=O)[O-] ZINC000160159327 275846424 /nfs/dbraw/zinc/84/64/24/275846424.db2.gz NZFPAHWVGQAHPW-UHFFFAOYSA-N 1 0 279.340 1.971 20 5 CDBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000414486558 276053457 /nfs/dbraw/zinc/05/34/57/276053457.db2.gz REUFOAQGFDEKKP-GFCCVEGCSA-N 1 0 291.351 1.944 20 5 CDBDRO CCc1nn(C)c(N2CCC(C[NH2+]C)CC2)c1[N+](=O)[O-] ZINC000091559164 276699841 /nfs/dbraw/zinc/69/98/41/276699841.db2.gz RWXXTYAXMVPSKQ-UHFFFAOYSA-N 1 0 281.360 1.327 20 5 CDBDRO CN(CCC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000281601448 276932133 /nfs/dbraw/zinc/93/21/33/276932133.db2.gz DEAYRPBQZMFKRQ-UHFFFAOYSA-N 1 0 281.312 1.746 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000269119998 277042361 /nfs/dbraw/zinc/04/23/61/277042361.db2.gz JBLISOJCRZCQDR-NSHDSACASA-N 1 0 292.339 1.217 20 5 CDBDRO C[NH+]1C[C@@H]2CN(c3c(F)cccc3[N+](=O)[O-])C[C@H]2C1 ZINC000343055544 277198919 /nfs/dbraw/zinc/19/89/19/277198919.db2.gz UHZURSHFXACVGN-NXEZZACHSA-N 1 0 265.288 1.732 20 5 CDBDRO CNC(=O)c1ccc(N2C[C@@H](C)[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000127937927 277259283 /nfs/dbraw/zinc/25/92/83/277259283.db2.gz BRPPOEVCVUGLNT-NXEZZACHSA-N 1 0 292.339 1.141 20 5 CDBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)[C@@H](C)C[NH2+]1 ZINC000235327084 278814999 /nfs/dbraw/zinc/81/49/99/278814999.db2.gz BYBJJHRLYRUXBD-SFYZADRCSA-N 1 0 270.720 1.830 20 5 CDBDRO C[C@@H]1[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@H]1C ZINC000262701847 279037050 /nfs/dbraw/zinc/03/70/50/279037050.db2.gz AVYLCYVMJPKSOT-YUMQZZPRSA-N 1 0 269.326 1.479 20 5 CDBDRO C[C@@H]1[C@@H](N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCC[N@@H+]1C ZINC000447684585 279090147 /nfs/dbraw/zinc/09/01/47/279090147.db2.gz BTOPQCNJLSSIRE-KOLCDFICSA-N 1 0 289.339 1.788 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@@H+](C3CC3)C2)nc1 ZINC000040454707 279142457 /nfs/dbraw/zinc/14/24/57/279142457.db2.gz RJQBWJBGKUHNIB-SECBINFHSA-N 1 0 263.301 1.281 20 5 CDBDRO Cc1ccc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000047921656 279155369 /nfs/dbraw/zinc/15/53/69/279155369.db2.gz SRDKGNXCBAKTAU-AWEZNQCLSA-N 1 0 291.351 1.973 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000178657108 279396727 /nfs/dbraw/zinc/39/67/27/279396727.db2.gz YBDYYHQROTYYMS-QMMMGPOBSA-N 1 0 285.731 1.644 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000127186439 279522790 /nfs/dbraw/zinc/52/27/90/279522790.db2.gz KGUYMKSRRZRPOS-BQYQJAHWSA-N 1 0 277.324 1.676 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000127337909 279528859 /nfs/dbraw/zinc/52/88/59/279528859.db2.gz BDDIMYMYDNKCGT-SFYZADRCSA-N 1 0 281.341 1.478 20 5 CDBDRO O=C(C[C@H]1CC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000127936978 279548623 /nfs/dbraw/zinc/54/86/23/279548623.db2.gz BLFJDBOCQCPTRV-SNVBAGLBSA-N 1 0 275.308 1.484 20 5 CDBDRO C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000070078132 279859879 /nfs/dbraw/zinc/85/98/79/279859879.db2.gz YYFHIUQZEKDDCZ-RYUDHWBXSA-N 1 0 263.341 1.820 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000211373686 280085281 /nfs/dbraw/zinc/08/52/81/280085281.db2.gz XQMMDOTVSGEYIA-XURPKSDJSA-N 1 0 289.335 1.818 20 5 CDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCC1CC[NH2+]CC1 ZINC000217468703 280088817 /nfs/dbraw/zinc/08/88/17/280088817.db2.gz HXWCWTCPROKRIR-WAYWQWQTSA-N 1 0 289.335 1.724 20 5 CDBDRO COc1ccc(NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000234971284 280125877 /nfs/dbraw/zinc/12/58/77/280125877.db2.gz RKAAXHRLWFWNFI-UWVGGRQHSA-N 1 0 293.323 1.930 20 5 CDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000237733731 280186304 /nfs/dbraw/zinc/18/63/04/280186304.db2.gz VJAYSOOBSUHZEE-JTQLQIEISA-N 1 0 299.352 1.015 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)n1 ZINC000362664687 280399691 /nfs/dbraw/zinc/39/96/91/280399691.db2.gz CFFMHGHUSGCITQ-TXEJJXNPSA-N 1 0 276.340 1.604 20 5 CDBDRO COc1ccc(CNC(=O)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000269051055 280547317 /nfs/dbraw/zinc/54/73/17/280547317.db2.gz QSNSOXCWQFYUNX-UHFFFAOYSA-N 1 0 293.323 1.219 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](C3CCC3)CC2)n1 ZINC000268777899 281012291 /nfs/dbraw/zinc/01/22/91/281012291.db2.gz AXWIOVYGXPHIIT-UHFFFAOYSA-N 1 0 276.340 1.973 20 5 CDBDRO Cc1cccc(N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302514443 281228084 /nfs/dbraw/zinc/22/80/84/281228084.db2.gz UUGGOPOBIXYZHW-QWHCGFSZSA-N 1 0 293.367 1.795 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+](C)C(C)C ZINC000194704997 281257824 /nfs/dbraw/zinc/25/78/24/281257824.db2.gz IDVDLSYXFGATBF-UHFFFAOYSA-N 1 0 279.340 1.973 20 5 CDBDRO COC[C@@H](CCO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532516505 281994142 /nfs/dbraw/zinc/99/41/42/281994142.db2.gz BYSYFAGXFZHZDP-NWDGAFQWSA-N 1 0 282.340 1.951 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255889729 289389435 /nfs/dbraw/zinc/38/94/35/289389435.db2.gz MNSSKYAEKLVNFB-GIBSZGAASA-N 1 0 289.335 1.994 20 5 CDBDRO C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000552143920 290054533 /nfs/dbraw/zinc/05/45/33/290054533.db2.gz AGCXPXYEWKATHG-TXNVCOODSA-N 1 0 261.325 1.902 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCN1c1ncccc1[N+](=O)[O-] ZINC000555241229 290210105 /nfs/dbraw/zinc/21/01/05/290210105.db2.gz JBEAJNNIMVCSTD-SNVBAGLBSA-N 1 0 250.302 1.520 20 5 CDBDRO CNc1ccc(C(=O)N[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000565479434 293619491 /nfs/dbraw/zinc/61/94/91/293619491.db2.gz ANRYARYZXKHOSS-LLVKDONJSA-N 1 0 278.312 1.104 20 5 CDBDRO C[C@H](C(=O)N(C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000569171042 294169204 /nfs/dbraw/zinc/16/92/04/294169204.db2.gz NANJYZHGFHZSSU-NSHDSACASA-N 1 0 279.340 1.718 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000570429362 294237691 /nfs/dbraw/zinc/23/76/91/294237691.db2.gz AKVNPPWLKJTKFR-AWEZNQCLSA-N 1 0 276.340 1.878 20 5 CDBDRO C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000563716943 316360705 /nfs/dbraw/zinc/36/07/05/316360705.db2.gz RKOISJDSASBYRX-VHSXEESVSA-N 1 0 292.339 1.295 20 5 CDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C(F)(F)F ZINC000181309354 323233158 /nfs/dbraw/zinc/23/31/58/323233158.db2.gz CWENZLAJLBPOLZ-LLVKDONJSA-N 1 0 292.257 1.992 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cc[nH]n2)n1 ZINC000578832505 324032456 /nfs/dbraw/zinc/03/24/56/324032456.db2.gz SQPXTJBXQIYIQQ-VXGBXAGGSA-N 1 0 290.327 1.788 20 5 CDBDRO COC(=O)c1cccc([N+](=O)[O-])c1O[C@H](C)C[N+](C)(C)C ZINC001227124619 1160293115 /nfs/dbraw/zinc/29/31/15/1160293115.db2.gz OAMQAEOIXDNUHE-SNVBAGLBSA-N 1 0 297.331 1.855 20 5 CDBDRO Cc1c(F)cnc(-n2cc(C[NH3+])cn2)c1[N+](=O)[O-] ZINC001168257455 1160563347 /nfs/dbraw/zinc/56/33/47/1160563347.db2.gz YPPWWEFHEHMCIC-UHFFFAOYSA-N 1 0 251.221 1.082 20 5 CDBDRO COCC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000338390591 521974079 /nfs/dbraw/zinc/97/40/79/521974079.db2.gz VNEQSBWPHNXVDD-LBPRGKRZSA-N 1 0 284.360 1.832 20 5 CDBDRO Cc1cc(N2CC[C@H](C)[C@@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000229095905 525092167 /nfs/dbraw/zinc/09/21/67/525092167.db2.gz AWHQUYBVZKSFEB-ONGXEEELSA-N 1 0 264.329 1.719 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185197650 525561319 /nfs/dbraw/zinc/56/13/19/525561319.db2.gz AZJPNALJTAIQQA-HONMWMINSA-N 1 0 289.335 1.713 20 5 CDBDRO Cc1c(NC(=O)[C@H](C)N2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000226409832 525855588 /nfs/dbraw/zinc/85/55/88/525855588.db2.gz DFXPAVQTVXEZSM-NSHDSACASA-N 1 0 292.339 1.135 20 5 CDBDRO Cc1nc(NCC2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000150771946 526997035 /nfs/dbraw/zinc/99/70/35/526997035.db2.gz IAMPDOKZZXMIJU-UHFFFAOYSA-N 1 0 294.355 1.414 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)C(F)(F)F)cc1 ZINC000068879463 527347402 /nfs/dbraw/zinc/34/74/02/527347402.db2.gz SUBSBSRSGLMFAK-JTQLQIEISA-N 1 0 278.230 1.650 20 5 CDBDRO CC(C)CCO[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000177373988 527769038 /nfs/dbraw/zinc/76/90/38/527769038.db2.gz HFKKVEKWZBLIHW-CYBMUJFWSA-N 1 0 296.371 1.928 20 5 CDBDRO C[NH2+][C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000261781818 536362310 /nfs/dbraw/zinc/36/23/10/536362310.db2.gz PJKFOQAHCKKANX-GFCCVEGCSA-N 1 0 279.340 1.657 20 5 CDBDRO COC[C@@H]([NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000262293735 536654099 /nfs/dbraw/zinc/65/40/99/536654099.db2.gz YVYIJVYRFHTXBT-CYBMUJFWSA-N 1 0 295.339 1.306 20 5 CDBDRO COc1ccc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000262846640 536770281 /nfs/dbraw/zinc/77/02/81/536770281.db2.gz RUHXSXRLBQAOML-KOLCDFICSA-N 1 0 293.323 1.331 20 5 CDBDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761526404 576580831 /nfs/dbraw/zinc/58/08/31/576580831.db2.gz BNKDECOHKUIBJC-ZETCQYMHSA-N 1 0 271.704 1.602 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804856652 617386416 /nfs/dbraw/zinc/38/64/16/617386416.db2.gz ZIDQREHTJHBVJS-QMMMGPOBSA-N 1 0 268.273 1.865 20 5 CDBDRO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCC(C)(C)C)C1 ZINC000950055602 614651206 /nfs/dbraw/zinc/65/12/06/614651206.db2.gz GDKWDLNJTQZEBY-CHWSQXEVSA-N 1 0 297.399 1.621 20 5 CDBDRO CC[C@@H]1C[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C[C@@H]1O ZINC000892242010 617573349 /nfs/dbraw/zinc/57/33/49/617573349.db2.gz NNMDJMRLVZPLKZ-SKDRFNHKSA-N 1 0 296.323 1.512 20 5 CDBDRO C[C@H]1C[C@H](Nc2c([N+](=O)[O-])cnn2C)CC[N@@H+]1C ZINC000892674491 617581046 /nfs/dbraw/zinc/58/10/46/617581046.db2.gz WBWBOKZSYOUOPH-DTWKUNHWSA-N 1 0 253.306 1.223 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000783579316 617601254 /nfs/dbraw/zinc/60/12/54/617601254.db2.gz CHZRVHCZTHXMQQ-QWRGUYRKSA-N 1 0 281.743 1.899 20 5 CDBDRO CC[N@H+](CCC(=O)NC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000933867303 617708724 /nfs/dbraw/zinc/70/87/24/617708724.db2.gz NEEDCPQXBROANK-UHFFFAOYSA-N 1 0 295.339 1.561 20 5 CDBDRO C[N@@H+]1C[C@H]2CCN(c3nc4ccccn4c3[N+](=O)[O-])[C@H]2C1 ZINC000893939183 618201408 /nfs/dbraw/zinc/20/14/08/618201408.db2.gz IHHGWIVJCFCMSI-MNOVXSKESA-N 1 0 287.323 1.383 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@H]2CCOC[C@H]2C)c1[N+](=O)[O-] ZINC000894041457 618284177 /nfs/dbraw/zinc/28/41/77/618284177.db2.gz CEXPDVSCJKPHOI-KOLCDFICSA-N 1 0 296.323 1.824 20 5 CDBDRO O=[N+]([O-])c1ccc(CNC[C@H]2C[NH2+]CCO2)cc1Cl ZINC000841101289 618683147 /nfs/dbraw/zinc/68/31/47/618683147.db2.gz RLPNFHWEGAXNLP-SNVBAGLBSA-N 1 0 285.731 1.326 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000894524060 618939132 /nfs/dbraw/zinc/93/91/32/618939132.db2.gz TVBJCQNCJCCPMN-SNVBAGLBSA-N 1 0 282.296 1.578 20 5 CDBDRO CN1CC[C@@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000896595843 620161282 /nfs/dbraw/zinc/16/12/82/620161282.db2.gz PTZIUKQRWXAAIP-SNVBAGLBSA-N 1 0 276.296 1.530 20 5 CDBDRO C[NH+](C)CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000899919824 622529697 /nfs/dbraw/zinc/52/96/97/622529697.db2.gz GTPDRPAZEVJQEU-UHFFFAOYSA-N 1 0 289.694 1.679 20 5 CDBDRO O=[N+]([O-])CCNCc1cccc(C[NH+]2CCCC2)c1 ZINC000905037205 626378327 /nfs/dbraw/zinc/37/83/27/626378327.db2.gz WWMFPLNDWUCOGW-UHFFFAOYSA-N 1 0 263.341 1.649 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000905087179 626603664 /nfs/dbraw/zinc/60/36/64/626603664.db2.gz DYYRQVPOTRFEEV-UHFFFAOYSA-N 1 0 269.370 1.821 20 5 CDBDRO CN(C)[C@H](C[NH2+]CC[N+](=O)[O-])c1ccc(F)cc1 ZINC000905055744 626605622 /nfs/dbraw/zinc/60/56/22/626605622.db2.gz RNXZQZQZDSZFOT-GFCCVEGCSA-N 1 0 255.293 1.295 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000905065898 626613144 /nfs/dbraw/zinc/61/31/44/626613144.db2.gz QNXWIKGVFRXHCJ-CQSZACIVSA-N 1 0 297.330 1.065 20 5 CDBDRO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]CC[N+](=O)[O-] ZINC000905104830 626621795 /nfs/dbraw/zinc/62/17/95/626621795.db2.gz HRRZUBOASYRDCK-NSHDSACASA-N 1 0 289.376 1.792 20 5 CDBDRO O=C(C1CCC1)N(CCC[NH2+]CC[N+](=O)[O-])C1CC1 ZINC000905105888 626621819 /nfs/dbraw/zinc/62/18/19/626621819.db2.gz MIIKBNSQXRWNKX-UHFFFAOYSA-N 1 0 269.345 1.034 20 5 CDBDRO COc1ccc2c(c1)CCC[C@H]2C[NH2+]CC[N+](=O)[O-] ZINC000905215333 626695887 /nfs/dbraw/zinc/69/58/87/626695887.db2.gz NMAPACHYBFTTNH-LBPRGKRZSA-N 1 0 264.325 1.981 20 5 CDBDRO CC(C)(C)OC(=O)N(CCC[NH2+]CC[N+](=O)[O-])C1CC1 ZINC000905294388 626723024 /nfs/dbraw/zinc/72/30/24/626723024.db2.gz GFZZVAAHRUDXBN-UHFFFAOYSA-N 1 0 287.360 1.642 20 5 CDBDRO COc1cc(CC[NH2+]CC[N+](=O)[O-])ccc1Cl ZINC000905273654 626729539 /nfs/dbraw/zinc/72/95/39/626729539.db2.gz LNDFXUGOTURDGV-UHFFFAOYSA-N 1 0 258.705 1.757 20 5 CDBDRO COc1cccc([C@@H](C[NH2+]CC[N+](=O)[O-])OC)c1 ZINC000905383400 626779221 /nfs/dbraw/zinc/77/92/21/626779221.db2.gz BJIMNGNBXSSTIJ-GFCCVEGCSA-N 1 0 254.286 1.249 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NCc1ccc(CC[NH3+])cc1 ZINC000905625243 626886440 /nfs/dbraw/zinc/88/64/40/626886440.db2.gz JOKLDLBNXJHCAL-UHFFFAOYSA-N 1 0 275.312 1.442 20 5 CDBDRO O=C(N[C@@H]1CC[NH2+]C1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911698498 629422538 /nfs/dbraw/zinc/42/25/38/629422538.db2.gz JOFXKDCFSMCCLQ-WXHSDQCUSA-N 1 0 275.308 1.176 20 5 CDBDRO CSCC[C@H]([NH3+])CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000912254714 629888009 /nfs/dbraw/zinc/88/80/09/629888009.db2.gz AACKBLJRIMXKHX-NSHDSACASA-N 1 0 297.380 1.682 20 5 CDBDRO C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000914239344 631281158 /nfs/dbraw/zinc/28/11/58/631281158.db2.gz BCTHIIRKXGLWSD-MFKMUULPSA-N 1 0 292.339 1.659 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]C2CC(O)C2)c([N+](=O)[O-])c1 ZINC001170298305 1162328532 /nfs/dbraw/zinc/32/85/32/1162328532.db2.gz IRHUYVHCAFSGFQ-GCVQQVDUSA-N 1 0 280.324 1.647 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)CO)c([N+](=O)[O-])c1 ZINC001170300306 1162328840 /nfs/dbraw/zinc/32/88/40/1162328840.db2.gz ZAJMCYROXHWHNA-UWVGGRQHSA-N 1 0 268.313 1.505 20 5 CDBDRO COc1ccc(C[C@H](C)N2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001170310991 1162333850 /nfs/dbraw/zinc/33/38/50/1162333850.db2.gz YAPMBTOYDQHTSY-AAEUAGOBSA-N 1 0 293.367 1.958 20 5 CDBDRO CC[C@]([NH3+])(CO)N[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170315372 1162334871 /nfs/dbraw/zinc/33/48/71/1162334871.db2.gz XJDKDCGADAVDLH-IINYFYTJSA-N 1 0 297.355 1.181 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2)C1 ZINC001168967145 1161996101 /nfs/dbraw/zinc/99/61/01/1161996101.db2.gz NRNSTLSAPYXGQG-MGPQQGTHSA-N 1 0 294.351 1.461 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ccnc1N[C@@H]1COCCC12C[NH2+]C2 ZINC001155463012 1167180104 /nfs/dbraw/zinc/18/01/04/1167180104.db2.gz VNBXOWJROKCIND-SECBINFHSA-N 1 0 298.730 1.434 20 5 CDBDRO C[C@H](OC(=O)[C@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001574107791 1170881951 /nfs/dbraw/zinc/88/19/51/1170881951.db2.gz MZHSPMSEUCRLAB-UWVGGRQHSA-N 1 0 264.281 1.809 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC001579642724 1172232626 /nfs/dbraw/zinc/23/26/26/1172232626.db2.gz SLQSUVFHJFZYCJ-QWRGUYRKSA-N 1 0 292.339 1.416 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1F ZINC001579642777 1172233299 /nfs/dbraw/zinc/23/32/99/1172233299.db2.gz VMOKCKRTRULHKU-AOOOYVTPSA-N 1 0 293.298 1.619 20 5 CDBDRO Cc1cnc(CO[C@H]2CCC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000232242977 1178189446 /nfs/dbraw/zinc/18/94/46/1178189446.db2.gz JKXXWTSVAKUZMS-NSHDSACASA-N 1 0 265.313 1.875 20 5 CDBDRO [NH3+][C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000404489126 1186521257 /nfs/dbraw/zinc/52/12/57/1186521257.db2.gz OUNWMZQFDFWCGE-NWDGAFQWSA-N 1 0 275.308 1.595 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC001164629416 719153206 /nfs/dbraw/zinc/15/32/06/719153206.db2.gz ASMNMVPDCMYWHE-MNOVXSKESA-N 1 0 264.329 1.827 20 5 CDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCC[NH2+]C1 ZINC000110939847 1166537075 /nfs/dbraw/zinc/53/70/75/1166537075.db2.gz HFDDRRHXTVXZLD-VIFPVBQESA-N 1 0 266.301 1.137 20 5 CDBDRO Cc1cnc(N2C[C@@H](C[NH3+])CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000227346081 1166897121 /nfs/dbraw/zinc/89/71/21/1166897121.db2.gz PPPAEOYQQFJYFR-GHMZBOCLSA-N 1 0 264.329 1.862 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCOCC2CC2)cc1 ZINC000236527404 844144030 /nfs/dbraw/zinc/14/40/30/844144030.db2.gz WHVUPEYDBAIOFN-AWEZNQCLSA-N 1 0 280.324 1.644 20 5 CDBDRO CC[C@H](C)[C@@H](O)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843075703 844313276 /nfs/dbraw/zinc/31/32/76/844313276.db2.gz WCHCGFUUOUISCK-BPNCWPANSA-N 1 0 282.340 1.625 20 5 CDBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000252686402 844317238 /nfs/dbraw/zinc/31/72/38/844317238.db2.gz JPWOQWJEDQSVCC-ZLKJLUDKSA-N 1 0 280.324 1.785 20 5 CDBDRO C[NH+](C)C(C)(C)CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865406804 844356358 /nfs/dbraw/zinc/35/63/58/844356358.db2.gz INYSXILDQIFBPJ-UHFFFAOYSA-N 1 0 285.319 1.978 20 5 CDBDRO C[C@H](CCO)[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000844448215 844387449 /nfs/dbraw/zinc/38/74/49/844387449.db2.gz WEGZEXZHBOWRPV-SECBINFHSA-N 1 0 256.277 1.937 20 5 CDBDRO CC(C)C[C@H](O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843068130 844496301 /nfs/dbraw/zinc/49/63/01/844496301.db2.gz FDLKTHFHLNTQJY-UONOGXRCSA-N 1 0 282.340 1.625 20 5 CDBDRO CN1CC[C@@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000712323030 844502823 /nfs/dbraw/zinc/50/28/23/844502823.db2.gz JDRJPIYXYRPEOZ-MRVPVSSYSA-N 1 0 283.715 1.682 20 5 CDBDRO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000886004183 844535346 /nfs/dbraw/zinc/53/53/46/844535346.db2.gz UWUYMOLAWQANLF-LLVKDONJSA-N 1 0 265.313 1.848 20 5 CDBDRO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000876578599 843251674 /nfs/dbraw/zinc/25/16/74/843251674.db2.gz UDSGRGMDBZFJMR-VXGBXAGGSA-N 1 0 277.324 1.584 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000122457097 843339752 /nfs/dbraw/zinc/33/97/52/843339752.db2.gz PGYKPQCVJLAGSO-BXKDBHETSA-N 1 0 295.314 1.933 20 5 CDBDRO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000840120783 843342871 /nfs/dbraw/zinc/34/28/71/843342871.db2.gz OOSLREFCJULGHN-QJPTWQEYSA-N 1 0 280.328 1.374 20 5 CDBDRO O=C1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CN1CC1CC1 ZINC000883404202 843348873 /nfs/dbraw/zinc/34/88/73/843348873.db2.gz SPMBGGWEZRRDDX-ZDUSSCGKSA-N 1 0 289.335 1.695 20 5 CDBDRO COc1cc(NC[C@H]([NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000129306310 843435180 /nfs/dbraw/zinc/43/51/80/843435180.db2.gz SSJNTVAAPCVYQA-JTQLQIEISA-N 1 0 251.286 1.753 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CC[NH2+][C@@H]1C)CC2 ZINC000843492896 843457342 /nfs/dbraw/zinc/45/73/42/843457342.db2.gz AFAFAVBXYJNBKS-PWSUYJOCSA-N 1 0 289.335 1.790 20 5 CDBDRO CC(C)[C@@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[NH+](C)C ZINC000854497236 843575771 /nfs/dbraw/zinc/57/57/71/843575771.db2.gz LCESPGWWJNFQJK-LBPRGKRZSA-N 1 0 280.328 1.702 20 5 CDBDRO C[C@@H](O)c1ncc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)s1 ZINC000809626569 843638992 /nfs/dbraw/zinc/63/89/92/843638992.db2.gz HJPXJWPWPGGMQZ-MRVPVSSYSA-N 1 0 297.340 1.091 20 5 CDBDRO CC[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)OC ZINC000312018820 843807963 /nfs/dbraw/zinc/80/79/63/843807963.db2.gz YEQVJKBMGQGDLP-CHWSQXEVSA-N 1 0 268.313 1.643 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819008307 843868773 /nfs/dbraw/zinc/86/87/73/843868773.db2.gz WIRSYPYQWGCLSK-WFASDCNBSA-N 1 0 295.383 1.948 20 5 CDBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000842619594 844658002 /nfs/dbraw/zinc/65/80/02/844658002.db2.gz WMYMCRGPKITDRD-CHWSQXEVSA-N 1 0 294.355 1.948 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]([NH3+])CC1CC1 ZINC000312719733 844773432 /nfs/dbraw/zinc/77/34/32/844773432.db2.gz FJLUTUZTFLSFJM-LBPRGKRZSA-N 1 0 277.324 1.681 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3CC3)CC2)cn1 ZINC000133691413 844883344 /nfs/dbraw/zinc/88/33/44/844883344.db2.gz LZROBJNVGHXVGA-UHFFFAOYSA-N 1 0 276.340 1.958 20 5 CDBDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886202759 844959990 /nfs/dbraw/zinc/95/99/90/844959990.db2.gz DOYJVOUKCZAKRJ-PSASIEDQSA-N 1 0 253.327 1.831 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)cc1 ZINC000719068818 845031712 /nfs/dbraw/zinc/03/17/12/845031712.db2.gz VYJBKPMMAKMANM-GFCCVEGCSA-N 1 0 278.308 1.790 20 5 CDBDRO CC(C)(CCc1noc(CC[C@@H]2CCC[NH2+]C2)n1)[N+](=O)[O-] ZINC000857253991 845342842 /nfs/dbraw/zinc/34/28/42/845342842.db2.gz VLEYQOBZUSOFMO-NSHDSACASA-N 1 0 296.371 1.990 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](CCO)CC2CC2)cc1 ZINC000776578582 845350643 /nfs/dbraw/zinc/35/06/43/845350643.db2.gz GRNIERFCAUMJFB-AWEZNQCLSA-N 1 0 280.324 1.333 20 5 CDBDRO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000700603651 845417874 /nfs/dbraw/zinc/41/78/74/845417874.db2.gz ZNSVFYXEXZUDOK-SKDRFNHKSA-N 1 0 295.726 1.682 20 5 CDBDRO CC[NH+](CC)C[C@H](C)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819058577 845466768 /nfs/dbraw/zinc/46/67/68/845466768.db2.gz MTXNFAJGNLIGFY-SWLSCSKDSA-N 1 0 295.383 1.948 20 5 CDBDRO C[C@@H](c1nc(Cc2ccc([N+](=O)[O-])cn2)no1)[C@H](C)[NH3+] ZINC000822863988 845558686 /nfs/dbraw/zinc/55/86/86/845558686.db2.gz WFMZLGQZJCZRLU-SFYZADRCSA-N 1 0 277.284 1.414 20 5 CDBDRO CC1(C)C[NH2+]C[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000711382510 845560024 /nfs/dbraw/zinc/56/00/24/845560024.db2.gz OUNVSEODYSWTFB-NSHDSACASA-N 1 0 263.297 1.779 20 5 CDBDRO CCC[C@H](O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843074583 845758772 /nfs/dbraw/zinc/75/87/72/845758772.db2.gz NBOAQBLNSLZEGS-QWHCGFSZSA-N 1 0 268.313 1.379 20 5 CDBDRO C[NH2+]C[C@H](C)c1noc(-c2cccc(OC)c2[N+](=O)[O-])n1 ZINC000842581906 845926135 /nfs/dbraw/zinc/92/61/35/845926135.db2.gz NAMPZNCWYYGGAM-QMMMGPOBSA-N 1 0 292.295 1.976 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)CNCc2ccon2)cc1 ZINC000134758673 845960463 /nfs/dbraw/zinc/96/04/63/845960463.db2.gz HCEFYXQBYAJLHH-GFCCVEGCSA-N 1 0 263.253 1.406 20 5 CDBDRO Cc1ccccc1C[NH+]1CCN(CC[N+](=O)[O-])CC1 ZINC000791052845 846177229 /nfs/dbraw/zinc/17/72/29/846177229.db2.gz GAJGHVPKGNEPPA-UHFFFAOYSA-N 1 0 263.341 1.389 20 5 CDBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839672375 846182587 /nfs/dbraw/zinc/18/25/87/846182587.db2.gz FTQFZHKQMABCGW-UXIGCNINSA-N 1 0 294.351 1.721 20 5 CDBDRO [NH3+][C@H]1CC[C@@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000870873063 846257594 /nfs/dbraw/zinc/25/75/94/846257594.db2.gz XOGZFNYTKCGWNX-BETUJISGSA-N 1 0 291.351 1.771 20 5 CDBDRO C[NH+](C)CCSc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865604280 846380519 /nfs/dbraw/zinc/38/05/19/846380519.db2.gz RNFMCIIBXZHBCH-UHFFFAOYSA-N 1 0 274.317 1.880 20 5 CDBDRO C[NH2+]CCCN(C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000124910926 846474448 /nfs/dbraw/zinc/47/44/48/846474448.db2.gz OAHUXNZQOIMFFS-UHFFFAOYSA-N 1 0 255.293 1.775 20 5 CDBDRO Cn1ccnc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819015749 846525692 /nfs/dbraw/zinc/52/56/92/846525692.db2.gz OMKMBKQKXOCTFZ-GFCCVEGCSA-N 1 0 276.296 1.152 20 5 CDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C(F)F ZINC001021756816 846551324 /nfs/dbraw/zinc/55/13/24/846551324.db2.gz KLSUBZCZFAKGQJ-AOOOYVTPSA-N 1 0 299.277 1.597 20 5 CDBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2c([N+](=O)[O-])cnn2C)C1 ZINC000892894089 846636631 /nfs/dbraw/zinc/63/66/31/846636631.db2.gz SZWUNHUSKRIQIG-NSHDSACASA-N 1 0 281.360 1.718 20 5 CDBDRO COC(=O)[C@H]1[C@@H]2CN(Cc3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000794984740 846772462 /nfs/dbraw/zinc/77/24/62/846772462.db2.gz BQMSAXFTICHBEG-PJXYFTJBSA-N 1 0 294.282 1.585 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[C@H]([NH3+])C2)c1C ZINC000884469369 846807060 /nfs/dbraw/zinc/80/70/60/846807060.db2.gz GCVBUUVPGLPYIS-XYPYZODXSA-N 1 0 277.324 1.679 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841855768 846807286 /nfs/dbraw/zinc/80/72/86/846807286.db2.gz LZYWFPRGQSJXRW-ZETCQYMHSA-N 1 0 286.719 1.395 20 5 CDBDRO C[C@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000853389913 846881510 /nfs/dbraw/zinc/88/15/10/846881510.db2.gz DKNZBFPFUJITIG-JTQLQIEISA-N 1 0 292.339 1.590 20 5 CDBDRO O=[N+]([O-])c1cc(F)c(N2C[C@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000227888570 846890289 /nfs/dbraw/zinc/89/02/89/846890289.db2.gz JIMJPNIMFFTUTP-OCAPTIKFSA-N 1 0 269.251 1.529 20 5 CDBDRO Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cc1[N+](=O)[O-] ZINC000783741393 846967037 /nfs/dbraw/zinc/96/70/37/846967037.db2.gz LXJHHOURLODFBJ-OCCSQVGLSA-N 1 0 262.309 1.717 20 5 CDBDRO CC(C)(CO)[NH+]1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000800852258 847223533 /nfs/dbraw/zinc/22/35/33/847223533.db2.gz ATRVFDHHJLBHHL-UHFFFAOYSA-N 1 0 294.355 1.070 20 5 CDBDRO Cc1c(-c2noc(C[C@H](C)[NH3+])n2)cccc1[N+](=O)[O-] ZINC000843237461 847300986 /nfs/dbraw/zinc/30/09/86/847300986.db2.gz BQXHYHGIOSUVHR-ZETCQYMHSA-N 1 0 262.269 1.843 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCCCC[C@@H]2CO)cc1 ZINC000847014488 847410443 /nfs/dbraw/zinc/41/04/43/847410443.db2.gz JWYBFLDGUVLZMH-HUUCEWRRSA-N 1 0 294.351 1.865 20 5 CDBDRO C[C@H]([NH3+])CN(C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000877098143 847427308 /nfs/dbraw/zinc/42/73/08/847427308.db2.gz OCRSWIOFJCNYLK-UWVGGRQHSA-N 1 0 297.380 1.881 20 5 CDBDRO C[NH+](C)CC[C@@H](N)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000844676514 847464397 /nfs/dbraw/zinc/46/43/97/847464397.db2.gz KOSLNEWLPHWWHY-LLVKDONJSA-N 1 0 291.311 1.596 20 5 CDBDRO Cc1c(C[NH2+][C@@H](C)C(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000229012712 847550658 /nfs/dbraw/zinc/55/06/58/847550658.db2.gz IAXRYJWFCNOWEC-NSHDSACASA-N 1 0 279.340 1.906 20 5 CDBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1C[C@@H](O)C1 ZINC000859970054 847560943 /nfs/dbraw/zinc/56/09/43/847560943.db2.gz NQBAKJACJDUOOC-GDLCADMTSA-N 1 0 280.324 1.331 20 5 CDBDRO C[C@H](CNC(=O)C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000887402330 847592305 /nfs/dbraw/zinc/59/23/05/847592305.db2.gz ALKOCWLAJLBQTN-SNVBAGLBSA-N 1 0 265.313 1.376 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000812332098 847595937 /nfs/dbraw/zinc/59/59/37/847595937.db2.gz IRCLLDNQUFUJOF-KOLCDFICSA-N 1 0 295.364 1.680 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000702679457 847598232 /nfs/dbraw/zinc/59/82/32/847598232.db2.gz WZSBCVWVJHYQGT-BABHQGDISA-N 1 0 275.308 1.556 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815576565 847719018 /nfs/dbraw/zinc/71/90/18/847719018.db2.gz SUOJCBMBYIRXGR-MWLCHTKSSA-N 1 0 264.329 1.532 20 5 CDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](CF)C2)c([N+](=O)[O-])c1 ZINC000880297208 847743733 /nfs/dbraw/zinc/74/37/33/847743733.db2.gz KPTYUCVYHIDZMC-VIFPVBQESA-N 1 0 281.287 1.485 20 5 CDBDRO CN1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818940885 847747885 /nfs/dbraw/zinc/74/78/85/847747885.db2.gz IYBWVUVAUMJAEP-AWEZNQCLSA-N 1 0 279.340 1.312 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NOC1CC[NH+](C)CC1 ZINC000819693411 847766544 /nfs/dbraw/zinc/76/65/44/847766544.db2.gz YFAPFLZWXQTICQ-UHFFFAOYSA-N 1 0 293.323 1.659 20 5 CDBDRO C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000879365299 847863534 /nfs/dbraw/zinc/86/35/34/847863534.db2.gz AUWHPMXYHXTEQL-KCPJHIHWSA-N 1 0 294.351 1.721 20 5 CDBDRO C[C@@H]1COCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776593547 847936789 /nfs/dbraw/zinc/93/67/89/847936789.db2.gz LCGHGHKTAYZGFQ-SMDDNHRTSA-N 1 0 280.324 1.597 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000714065072 847947510 /nfs/dbraw/zinc/94/75/10/847947510.db2.gz VZOSGZUSLOPTDY-VIFPVBQESA-N 1 0 281.287 1.545 20 5 CDBDRO CC[C@@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[NH+](C)C ZINC000854497691 847968391 /nfs/dbraw/zinc/96/83/91/847968391.db2.gz VDTQYKDWRRVYQQ-JTQLQIEISA-N 1 0 266.301 1.456 20 5 CDBDRO COC1CCC([N@H+](C)Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC000779861620 848010499 /nfs/dbraw/zinc/01/04/99/848010499.db2.gz XIBFIPWSACVFRL-UHFFFAOYSA-N 1 0 282.344 1.947 20 5 CDBDRO CC1(C)[C@H](O)CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886213189 848022160 /nfs/dbraw/zinc/02/21/60/848022160.db2.gz NPXHOSCUHLDKQJ-SNVBAGLBSA-N 1 0 251.286 1.335 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)C1CC1 ZINC001173220516 912306626 /nfs/dbraw/zinc/30/66/26/912306626.db2.gz FQSUTWKADRWMSG-HZMBPMFUSA-N 1 0 264.325 1.886 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CNC(=O)O1 ZINC001173229692 912323426 /nfs/dbraw/zinc/32/34/26/912323426.db2.gz OXQBTUDAOIZFPK-SKDRFNHKSA-N 1 0 279.296 1.224 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@]1(CO)CCOC1 ZINC001173231467 912326681 /nfs/dbraw/zinc/32/66/81/912326681.db2.gz ZOUDFSNOJSOKMH-RISCZKNCSA-N 1 0 280.324 1.267 20 5 CDBDRO C[C@H](CCO)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173213788 912337006 /nfs/dbraw/zinc/33/70/06/912337006.db2.gz KLZXCLGXLXNTBU-GHMZBOCLSA-N 1 0 252.314 1.886 20 5 CDBDRO Cc1c(F)ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1F ZINC001234934002 913904852 /nfs/dbraw/zinc/90/48/52/913904852.db2.gz ZXDHUNNFODDZHC-SNVBAGLBSA-N 1 0 288.314 1.636 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1COC[C@@H]1C ZINC000699805436 914293063 /nfs/dbraw/zinc/29/30/63/914293063.db2.gz KWXCZONBRPKAQD-JOYOIKCWSA-N 1 0 266.297 1.728 20 5 CDBDRO COc1cccc(NC(=N)SCC[NH3+])c1[N+](=O)[O-] ZINC001167913826 901026059 /nfs/dbraw/zinc/02/60/59/901026059.db2.gz FKBXDZICLBGZSU-UHFFFAOYSA-N 1 0 270.314 1.642 20 5 CDBDRO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCO1 ZINC001161697041 905511252 /nfs/dbraw/zinc/51/12/52/905511252.db2.gz WPZRZGQWXZRELT-WPRPVWTQSA-N 1 0 293.327 1.051 20 5 CDBDRO Cc1c(F)cnc(NC2(C)CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001168183308 907717859 /nfs/dbraw/zinc/71/78/59/907717859.db2.gz CLTOIFYAVHVTOR-UHFFFAOYSA-N 1 0 268.292 1.991 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C(=N)NO)c(F)c1 ZINC001229081465 907894745 /nfs/dbraw/zinc/89/47/45/907894745.db2.gz QLSKRDGRARTBMM-VIFPVBQESA-N 1 0 270.328 1.603 20 5 CDBDRO COc1ccc(N[C@H]2C[NH2+]CC[C@H]2F)nc1[N+](=O)[O-] ZINC001168226810 907942386 /nfs/dbraw/zinc/94/23/86/907942386.db2.gz FUCWRFSTZBUFCE-SFYZADRCSA-N 1 0 270.264 1.110 20 5 CDBDRO O=[N+]([O-])c1cnc2cccc(N[C@H]3C[NH2+]CC[C@H]3F)n21 ZINC001168233937 907957496 /nfs/dbraw/zinc/95/74/96/907957496.db2.gz KMDBQIOUOOGMFX-BDAKNGLRSA-N 1 0 279.275 1.354 20 5 CDBDRO COc1nc(C)c(Nc2nccnc2C[NH3+])cc1[N+](=O)[O-] ZINC001171447573 910636399 /nfs/dbraw/zinc/63/63/99/910636399.db2.gz IHCIRTBENKZYMN-UHFFFAOYSA-N 1 0 290.283 1.299 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CC(CO)C1)CC2 ZINC001172914591 912050065 /nfs/dbraw/zinc/05/00/65/912050065.db2.gz IBFAZFUFMSEJRG-CQSZACIVSA-N 1 0 276.336 1.766 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1CC(O)C1)CC2 ZINC001172895663 912050581 /nfs/dbraw/zinc/05/05/81/912050581.db2.gz GYGQGQKFLGJMPB-OPFPJEHXSA-N 1 0 276.336 1.955 20 5 CDBDRO CN(OCC[NH3+])[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172913516 912102940 /nfs/dbraw/zinc/10/29/40/912102940.db2.gz WQNRHYQLHRKOFP-CYBMUJFWSA-N 1 0 279.340 1.664 20 5 CDBDRO O=C(/C=C/C1CC1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001125236964 936357880 /nfs/dbraw/zinc/35/78/80/936357880.db2.gz MVVCSJIDJPVEKA-VOTSOKGWSA-N 1 0 289.335 1.767 20 5 CDBDRO CCC1(Nc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2C)C[NH2+]C1 ZINC001168583218 919292417 /nfs/dbraw/zinc/29/24/17/919292417.db2.gz IZHJEIASDOEPGG-UHFFFAOYSA-N 1 0 280.284 1.975 20 5 CDBDRO CC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000074231176 919773280 /nfs/dbraw/zinc/77/32/80/919773280.db2.gz DISYINLMYIWVOL-UHFFFAOYSA-N 1 0 251.286 1.211 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCOCCF)cc1 ZINC000702546867 922564075 /nfs/dbraw/zinc/56/40/75/922564075.db2.gz MSQBWZGSSKWUGN-GFCCVEGCSA-N 1 0 272.276 1.204 20 5 CDBDRO CCOc1cc([N+](=O)[O-])ccc1-n1cnc(CN)n1 ZINC001168754975 922646143 /nfs/dbraw/zinc/64/61/43/922646143.db2.gz WQBFLWREGXHOJS-UHFFFAOYSA-N 1 0 263.257 1.033 20 5 CDBDRO COC(=O)c1ccnc(N[C@@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001154984509 926291202 /nfs/dbraw/zinc/29/12/02/926291202.db2.gz GEVTZKQKHMLCRW-RKDXNWHRSA-N 1 0 294.311 1.458 20 5 CDBDRO COc1ccnc(N(CC[NH3+])c2cccnc2)c1[N+](=O)[O-] ZINC001168831871 927478952 /nfs/dbraw/zinc/47/89/52/927478952.db2.gz KXTAORBYMYTAOV-UHFFFAOYSA-N 1 0 289.295 1.490 20 5 CDBDRO [NH3+]CCN(c1ccccn1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168977684 927562778 /nfs/dbraw/zinc/56/27/78/927562778.db2.gz LFCLKYDZFOGFQT-VXGBXAGGSA-N 1 0 264.329 1.292 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H](CO)C2CCCCC2)C1 ZINC001168978148 927564755 /nfs/dbraw/zinc/56/47/55/927564755.db2.gz OVQIBQDVGVVBNG-IACUBPJLSA-N 1 0 270.373 1.963 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2cccc(O)c2)C1 ZINC001168978227 927565386 /nfs/dbraw/zinc/56/53/86/927565386.db2.gz QBADOVPVOOFNCR-QKCSRTOESA-N 1 0 280.324 1.461 20 5 CDBDRO [NH3+]Cc1ccc2c(n1)N([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CCC2 ZINC001168979256 927567367 /nfs/dbraw/zinc/56/73/67/927567367.db2.gz XVJONHHWGNNROZ-SMDDNHRTSA-N 1 0 290.367 1.738 20 5 CDBDRO O=C1NCc2ccccc2[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168981307 927569074 /nfs/dbraw/zinc/56/90/74/927569074.db2.gz HGFZXZFDSHMAHU-QKCSRTOESA-N 1 0 289.335 1.393 20 5 CDBDRO CC(C)[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)N1CCCC1 ZINC001168984923 927573231 /nfs/dbraw/zinc/57/32/31/927573231.db2.gz RFELXKVNUWDKGP-MJBXVCDLSA-N 1 0 297.399 1.668 20 5 CDBDRO Cc1cc(C)c(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c(=O)[nH]1 ZINC001168962427 927584342 /nfs/dbraw/zinc/58/43/42/927584342.db2.gz MRMBEYYPCVTZFP-RYUDHWBXSA-N 1 0 279.340 1.939 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2ccc(O)cc2)C1 ZINC001168964512 927587423 /nfs/dbraw/zinc/58/74/23/927587423.db2.gz ULMXTPUXFYUYJK-STQMWFEESA-N 1 0 264.325 1.970 20 5 CDBDRO O=C(C1CC1)N1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168966072 927589601 /nfs/dbraw/zinc/58/96/01/927589601.db2.gz GAWVUICMVJDGDO-RISCZKNCSA-N 1 0 295.383 1.422 20 5 CDBDRO O=C1Cc2cc(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)ccc2N1 ZINC001169003562 927606218 /nfs/dbraw/zinc/60/62/18/927606218.db2.gz OCEXPAQVGVNYNQ-YPMHNXCESA-N 1 0 289.335 1.716 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc3nccn3c2)C1 ZINC001169003582 927606258 /nfs/dbraw/zinc/60/62/58/927606258.db2.gz OKICIIVTBZAJPH-WCQYABFASA-N 1 0 274.324 1.869 20 5 CDBDRO O=C1CC2(CN1)CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169006409 927610814 /nfs/dbraw/zinc/61/08/14/927610814.db2.gz HVDSZXGZLNWASD-NWDGAFQWSA-N 1 0 281.356 1.034 20 5 CDBDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCC1=O ZINC001169006740 927610819 /nfs/dbraw/zinc/61/08/19/927610819.db2.gz JFWTZBWIPKLVRN-IJLUTSLNSA-N 1 0 254.330 1.733 20 5 CDBDRO COCC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169007219 927610861 /nfs/dbraw/zinc/61/08/61/927610861.db2.gz LWVCWIMJJSNFHE-QWHCGFSZSA-N 1 0 256.346 1.790 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(C3CC3)CC2)C1 ZINC001169007379 927612204 /nfs/dbraw/zinc/61/22/04/927612204.db2.gz MZAZLKKFKLBIAL-WCQYABFASA-N 1 0 253.346 1.212 20 5 CDBDRO C[N@H+](CC1CCOCC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169010033 927613485 /nfs/dbraw/zinc/61/34/85/927613485.db2.gz AJYFIYPOKDNIHM-CHWSQXEVSA-N 1 0 256.346 1.790 20 5 CDBDRO CC[N@H+](CCCC(=O)OC)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169013366 927620350 /nfs/dbraw/zinc/62/03/50/927620350.db2.gz UJTCDPMGEDUEHY-NEPJUHHUSA-N 1 0 272.345 1.707 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1ccc([N+](=O)[O-])c2cnccc21 ZINC001168987781 927624661 /nfs/dbraw/zinc/62/46/61/927624661.db2.gz YBYDZPQSRJIZFT-UHFFFAOYSA-N 1 0 298.306 1.533 20 5 CDBDRO CCOC(=O)[C@H](C)C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168988446 927627819 /nfs/dbraw/zinc/62/78/19/927627819.db2.gz SKOGLCJXMXLKCP-GMTAPVOTSA-N 1 0 258.318 1.221 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H](N2CC[NH+](C3CCCC3)CC2)C1 ZINC001169028372 927631849 /nfs/dbraw/zinc/63/18/49/927631849.db2.gz RWDAKZXGZCZNDM-DZGCQCFKSA-N 1 0 281.400 1.992 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(CCO3)CC2)C1 ZINC001169033256 927641356 /nfs/dbraw/zinc/64/13/56/927641356.db2.gz BPONDPSEFXJXBD-NEPJUHHUSA-N 1 0 254.330 1.687 20 5 CDBDRO C[N@H+](Cc1cnccn1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037452 927647219 /nfs/dbraw/zinc/64/72/19/927647219.db2.gz RXABYTJUFFMNAO-PWSUYJOCSA-N 1 0 250.302 1.354 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCc3nc(Cl)ncc3C2)C1 ZINC001169038445 927651268 /nfs/dbraw/zinc/65/12/68/927651268.db2.gz YWMYWSJRCYHORI-KOLCDFICSA-N 1 0 296.758 1.934 20 5 CDBDRO Cn1cnnc1C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169039809 927652630 /nfs/dbraw/zinc/65/26/30/927652630.db2.gz UEAKMABIWHZTJW-DGCLKSJQSA-N 1 0 293.371 1.440 20 5 CDBDRO CCO[C@@H]1C[C@H]2CN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC[N@@H+]2C1 ZINC001169019207 927660169 /nfs/dbraw/zinc/66/01/69/927660169.db2.gz FPJFCUCAXAJRBY-ZQDZILKHSA-N 1 0 297.399 1.227 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC001169026558 927665873 /nfs/dbraw/zinc/66/58/73/927665873.db2.gz MKKTZAVJVAWZNK-UPJWGTAASA-N 1 0 253.346 1.212 20 5 CDBDRO CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169026918 927667237 /nfs/dbraw/zinc/66/72/37/927667237.db2.gz OJKWTZALYLXKCV-XQQFMLRXSA-N 1 0 269.345 1.032 20 5 CDBDRO C[C@H]([NH3+])c1ccn(-c2ncnc3[nH]cc([N+](=O)[O-])c32)n1 ZINC001169230856 927837238 /nfs/dbraw/zinc/83/72/38/927837238.db2.gz WTHUJDJSJGMKBF-LURJTMIESA-N 1 0 273.256 1.072 20 5 CDBDRO COc1nc(C)nc(NCC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC001169558592 928174709 /nfs/dbraw/zinc/17/47/09/928174709.db2.gz JDKKVKIPIYGKLJ-SECBINFHSA-N 1 0 281.316 1.256 20 5 CDBDRO Cc1c[n+]([O-])c(NC(C)(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC001169712144 928369640 /nfs/dbraw/zinc/36/96/40/928369640.db2.gz ZMYHGJDHLZYOOY-UHFFFAOYSA-N 1 0 282.344 1.679 20 5 CDBDRO C[NH+](C)CCC(C)(C)Nc1cc([N+](=O)[O-])c2nncn2c1 ZINC001169717996 928374318 /nfs/dbraw/zinc/37/43/18/928374318.db2.gz IMVHYWDHSOGCHE-UHFFFAOYSA-N 1 0 292.343 1.780 20 5 CDBDRO C[C@@H](Nc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000695904504 937270214 /nfs/dbraw/zinc/27/02/14/937270214.db2.gz KJTPAMBUNRLHGD-BXUZGUMPSA-N 1 0 278.356 1.641 20 5 CDBDRO COc1cnc(NC(=N)SCC[NH3+])c([N+](=O)[O-])c1 ZINC001157130063 929210782 /nfs/dbraw/zinc/21/07/82/929210782.db2.gz ZQUVVKFHLFWLMI-UHFFFAOYSA-N 1 0 271.302 1.037 20 5 CDBDRO C[NH+](C)C1(C)CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC001152152013 937340084 /nfs/dbraw/zinc/34/00/84/937340084.db2.gz YWGNFKPQNXXVBJ-UHFFFAOYSA-N 1 0 294.355 1.916 20 5 CDBDRO CC(C)(C)c1cnc(N[C@@H]2C[NH2+]C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001170773917 929921721 /nfs/dbraw/zinc/92/17/21/929921721.db2.gz KJCJBRJOGNGLJO-GXSJLCMTSA-N 1 0 294.355 1.280 20 5 CDBDRO CCOC(=O)CN(CC[NH3+])c1cccc(C)c1[N+](=O)[O-] ZINC001170994187 931184743 /nfs/dbraw/zinc/18/47/43/931184743.db2.gz MCHCMBWVULMMCU-UHFFFAOYSA-N 1 0 281.312 1.231 20 5 CDBDRO [NH3+]Cc1ccc2cn(-c3ncc([N+](=O)[O-])cn3)nc2c1 ZINC001171316135 932628871 /nfs/dbraw/zinc/62/88/71/932628871.db2.gz YVVAZLLSPNYORD-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO O=[N+]([O-])c1cc(NC[C@H]2CCCC[NH2+]2)cn2ccnc12 ZINC001171334748 932745504 /nfs/dbraw/zinc/74/55/04/932745504.db2.gz PEDWQNWVWNPUOE-SNVBAGLBSA-N 1 0 275.312 1.797 20 5 CDBDRO CC(C)(C)C(=N)Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001155181916 937645301 /nfs/dbraw/zinc/64/53/01/937645301.db2.gz XEIQITKHLRMFAS-UHFFFAOYSA-N 1 0 278.316 1.507 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001155187537 937646248 /nfs/dbraw/zinc/64/62/48/937646248.db2.gz JMNAQLYKMOGOEF-HTRCEHHLSA-N 1 0 267.245 1.060 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC001155894915 937686435 /nfs/dbraw/zinc/68/64/35/937686435.db2.gz ZQCIQKVMNRRQCG-DTWKUNHWSA-N 1 0 295.343 1.093 20 5 CDBDRO CC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC001120499779 937804428 /nfs/dbraw/zinc/80/44/28/937804428.db2.gz GNESOZVBSJGFQB-QWHCGFSZSA-N 1 0 282.340 1.767 20 5 CDBDRO C[C@@H](O)[C@@H](C)[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC001120559243 937810396 /nfs/dbraw/zinc/81/03/96/937810396.db2.gz PRFHKWFZRGXJPB-NXEZZACHSA-N 1 0 253.302 1.366 20 5 CDBDRO Cc1cnc(NC(=N)SCC[NH3+])c([N+](=O)[O-])c1 ZINC001157128417 938457408 /nfs/dbraw/zinc/45/74/08/938457408.db2.gz MTTGZTPWDXAWHH-UHFFFAOYSA-N 1 0 255.303 1.337 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(c3nc(Cl)ncc3[N+](=O)[O-])C[C@H]21 ZINC001157260585 938471096 /nfs/dbraw/zinc/47/10/96/938471096.db2.gz LETKSEGTNQGORK-WCBMZHEXSA-N 1 0 297.746 1.569 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@H]2C[NH2+]CC[C@H]2F)c([N+](=O)[O-])c1 ZINC001157447383 938492935 /nfs/dbraw/zinc/49/29/35/938492935.db2.gz FDXVRBWFWFGVBB-SFYZADRCSA-N 1 0 285.235 1.010 20 5 CDBDRO NC(=[NH2+])c1nccn1-c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001157622933 938521443 /nfs/dbraw/zinc/52/14/43/938521443.db2.gz LZTOKQRFEMNOLE-UHFFFAOYSA-N 1 0 282.263 1.613 20 5 CDBDRO NC(=[NH2+])c1nccn1-c1ncc([N+](=O)[O-])c2ccccc21 ZINC001157622973 938521917 /nfs/dbraw/zinc/52/19/17/938521917.db2.gz OAUZRYVQDPXLLQ-UHFFFAOYSA-N 1 0 282.263 1.613 20 5 CDBDRO Nc1nc(N2CC[NH2+][C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001157764833 938542762 /nfs/dbraw/zinc/54/27/62/938542762.db2.gz ICFFVSCFDPUXDM-LBPRGKRZSA-N 1 0 299.334 1.723 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1-n1cnc2ccc(C[NH3+])cc21 ZINC001158008399 938574795 /nfs/dbraw/zinc/57/47/95/938574795.db2.gz BIALMYCXTWKCMW-UHFFFAOYSA-N 1 0 284.279 1.370 20 5 CDBDRO Cc1nc(N(C(C)C)[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001158021824 938575568 /nfs/dbraw/zinc/57/55/68/938575568.db2.gz LOGXJMMPJFNWFU-LLVKDONJSA-N 1 0 264.329 1.875 20 5 CDBDRO Cc1nc(Cl)nc(NCC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC001158628334 938643493 /nfs/dbraw/zinc/64/34/93/938643493.db2.gz FKCCGOMGPBBKFI-MRVPVSSYSA-N 1 0 285.735 1.901 20 5 CDBDRO O=[N+]([O-])c1ccc2ncc(N3CCC4(C[NH2+]C4)CC3)nc2c1 ZINC001159042068 938695384 /nfs/dbraw/zinc/69/53/84/938695384.db2.gz NPPQPMKLJFOKJH-UHFFFAOYSA-N 1 0 299.334 1.728 20 5 CDBDRO CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160107605 938769363 /nfs/dbraw/zinc/76/93/63/938769363.db2.gz PBKLSJKQJKKGQU-ZIAGYGMSSA-N 1 0 295.383 1.590 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1NCCCC[NH+](C)C ZINC001161728557 938926789 /nfs/dbraw/zinc/92/67/89/938926789.db2.gz OPAVWVYIKYADTE-UHFFFAOYSA-N 1 0 267.333 1.785 20 5 CDBDRO COc1nc(NC2C[NH+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001162220919 938963822 /nfs/dbraw/zinc/96/38/22/938963822.db2.gz DNBCDRZXMIYUNR-UHFFFAOYSA-N 1 0 280.328 1.893 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[NH2+][C@@H]1C ZINC001162666588 939110392 /nfs/dbraw/zinc/11/03/92/939110392.db2.gz IGERFDPHQADMSV-VXNVDRBHSA-N 1 0 252.274 1.161 20 5 CDBDRO Cc1nc(Cl)nc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)c1[N+](=O)[O-] ZINC001162789646 939139758 /nfs/dbraw/zinc/13/97/58/939139758.db2.gz JMZPTTJXZRBZCC-IWSPIJDZSA-N 1 0 295.730 1.533 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1C=C[C@@H]2C[NH2+]C[C@H]12 ZINC001162791058 939140452 /nfs/dbraw/zinc/14/04/52/939140452.db2.gz YMVVUWGSCPDJKB-FKTZTGRPSA-N 1 0 280.715 1.829 20 5 CDBDRO Cc1cccc(N[C@@H]2COCCC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001163074535 939190876 /nfs/dbraw/zinc/19/08/76/939190876.db2.gz UNNOIXCGIIKZKN-GFCCVEGCSA-N 1 0 277.324 1.694 20 5 CDBDRO Cc1c(N[C@@H]2COCCC23C[NH2+]C3)cc(F)cc1[N+](=O)[O-] ZINC001163073326 939190893 /nfs/dbraw/zinc/19/08/93/939190893.db2.gz NMLMBAHPJCPTOQ-CYBMUJFWSA-N 1 0 295.314 1.833 20 5 CDBDRO COc1cc([N+](=O)[O-])c(NC[C@@]23C[NH2+][C@@H](CO2)C3)cc1F ZINC001163202031 939224170 /nfs/dbraw/zinc/22/41/70/939224170.db2.gz CHZBSXDAZTXRPE-AMIZOPFISA-N 1 0 297.286 1.285 20 5 CDBDRO Cc1nnc(C[NH3+])n1-c1nccc2ccc([N+](=O)[O-])cc21 ZINC001163351938 939255581 /nfs/dbraw/zinc/25/55/81/939255581.db2.gz ZOMQQFRHPGYMIH-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO Cc1c(F)cnc(N[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001163385545 939259406 /nfs/dbraw/zinc/25/94/06/939259406.db2.gz AKBILBGHVJQXRM-NSHDSACASA-N 1 0 280.303 1.943 20 5 CDBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1N[C@H]1C[NH+]2CCC1CC2 ZINC001163395118 939262008 /nfs/dbraw/zinc/26/20/08/939262008.db2.gz NBTFGFJXRSMTOB-LBPRGKRZSA-N 1 0 287.323 1.977 20 5 CDBDRO C[NH2+]CCN(C)c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001163718705 939313626 /nfs/dbraw/zinc/31/36/26/939313626.db2.gz APZWCYBMRDDPFK-UHFFFAOYSA-N 1 0 261.285 1.194 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2C[C@H](C)CC[C@H]2C[NH3+])n1 ZINC001164067484 939404540 /nfs/dbraw/zinc/40/45/40/939404540.db2.gz CPFHYEGAYRXMGP-SCZZXKLOSA-N 1 0 265.317 1.257 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC(C)([NH+](C)C)C2)n1 ZINC001165116929 939511592 /nfs/dbraw/zinc/51/15/92/939511592.db2.gz NDRQTWFOWFFROG-UHFFFAOYSA-N 1 0 285.735 1.487 20 5 CDBDRO C[NH+](C)C1(C)CN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001165116661 939511620 /nfs/dbraw/zinc/51/16/20/939511620.db2.gz IBZMZWALXYBDOD-UHFFFAOYSA-N 1 0 270.720 1.784 20 5 CDBDRO C[NH+]1C[C@H]2CN(c3cnc4ccc([N+](=O)[O-])cc4n3)C[C@@H]2C1 ZINC001165147853 939518673 /nfs/dbraw/zinc/51/86/73/939518673.db2.gz KGKJDXWBBWCWBC-QWRGUYRKSA-N 1 0 299.334 1.536 20 5 CDBDRO O=[N+]([O-])c1cc2ccccc2nc1-n1ncc2c1CC[NH2+]C2 ZINC001165219666 939526977 /nfs/dbraw/zinc/52/69/77/939526977.db2.gz CPGGRIWKKHYIIA-UHFFFAOYSA-N 1 0 295.302 1.974 20 5 CDBDRO Cc1cc(Cl)nc(N2CCC[C@@H]3[NH2+]C[C@H]32)c1[N+](=O)[O-] ZINC001165394798 939558377 /nfs/dbraw/zinc/55/83/77/939558377.db2.gz ZCCJWBFQAXTGOC-DTWKUNHWSA-N 1 0 282.731 1.892 20 5 CDBDRO [NH3+]C1([C@H]2CN(c3ncc(F)cc3[N+](=O)[O-])C[C@@H]2CF)CC1 ZINC001165434054 939564684 /nfs/dbraw/zinc/56/46/84/939564684.db2.gz YDYXTKIYBLGAQU-WPRPVWTQSA-N 1 0 298.293 1.642 20 5 CDBDRO [NH3+]C[C@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)CCO1 ZINC001166940772 939654556 /nfs/dbraw/zinc/65/45/56/939654556.db2.gz OYAGJRMPOGVOFO-JTQLQIEISA-N 1 0 288.307 1.307 20 5 CDBDRO CN(c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1)C1C[NH2+]C1 ZINC001166978282 939666127 /nfs/dbraw/zinc/66/61/27/939666127.db2.gz LUGSSGGAUAXGLB-UHFFFAOYSA-N 1 0 285.307 1.460 20 5 CDBDRO CC[C@@H](C)C[C@@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000400987677 940862335 /nfs/dbraw/zinc/86/23/35/940862335.db2.gz ZHKZXKFDGZUEFF-ZWNOBZJWSA-N 1 0 279.340 1.975 20 5 CDBDRO CC[C@H](C)C[C@@H]([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000400987181 940862462 /nfs/dbraw/zinc/86/24/62/940862462.db2.gz ZGDSLFKIMKIBMM-GXFFZTMASA-N 1 0 279.340 1.975 20 5 CDBDRO Cc1cc2[nH]c(O[C@H]3CC[NH2+]C3)nc2cc1[N+](=O)[O-] ZINC001218181162 941042495 /nfs/dbraw/zinc/04/24/95/941042495.db2.gz DAIVIUAGBBSGSR-QMMMGPOBSA-N 1 0 262.269 1.520 20 5 CDBDRO COC(=O)c1ccc(O[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218281515 941050576 /nfs/dbraw/zinc/05/05/76/941050576.db2.gz FNQDMOVLVIRZHG-SNVBAGLBSA-N 1 0 280.280 1.512 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ccnc1O[C@H]1CCC[NH2+]C1 ZINC001218282746 941051125 /nfs/dbraw/zinc/05/11/25/941051125.db2.gz BBOJNMVSBYJIAC-ZETCQYMHSA-N 1 0 257.677 1.774 20 5 CDBDRO O=[N+]([O-])c1cc(CN2C[C@H](O)[C@H](CO)C2)ccc1Cl ZINC000316511492 941487167 /nfs/dbraw/zinc/48/71/67/941487167.db2.gz HPUKQLGTSVYVJP-CABZTGNLSA-N 1 0 286.715 1.033 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1cccs1 ZINC001223865903 941704217 /nfs/dbraw/zinc/70/42/17/941704217.db2.gz WPMUTBFEZFWSER-SNVBAGLBSA-N 1 0 258.363 1.249 20 5 CDBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](OCC[N+](C)(C)C)[C@@H]2C1 ZINC001224775445 941790490 /nfs/dbraw/zinc/79/04/90/941790490.db2.gz KUJHSNFSYCWCOI-MJBXVCDLSA-N 1 0 299.435 1.965 20 5 CDBDRO COc1cc(OCC[N@H+]2CC[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC001225440805 941859906 /nfs/dbraw/zinc/85/99/06/941859906.db2.gz HTQHAKXCNQDJFK-GFCCVEGCSA-N 1 0 296.323 1.703 20 5 CDBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccnc1[N+](=O)[O-])C2 ZINC001225628790 941890251 /nfs/dbraw/zinc/89/02/51/941890251.db2.gz VQXIMWSGRJMWDL-URLYPYJESA-N 1 0 263.297 1.994 20 5 CDBDRO C[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cn2)CC1 ZINC001225633521 941892311 /nfs/dbraw/zinc/89/23/11/941892311.db2.gz PVHWQUAZNAJCQR-NSHDSACASA-N 1 0 251.286 1.853 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001225683422 941900310 /nfs/dbraw/zinc/90/03/10/941900310.db2.gz UKECCOFNPPTXAJ-LLVKDONJSA-N 1 0 297.331 1.266 20 5 CDBDRO COC(=O)Cc1ccc(O[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001226214451 941968548 /nfs/dbraw/zinc/96/85/48/941968548.db2.gz MONABQWTQNRXNG-SNVBAGLBSA-N 1 0 296.323 1.639 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(C(F)(F)F)nn1C ZINC001226227033 941970394 /nfs/dbraw/zinc/97/03/94/941970394.db2.gz VHTNOCNXQHWGBP-QMMMGPOBSA-N 1 0 266.287 1.912 20 5 CDBDRO COCC[NH+]1CCC(Oc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC001227063073 942123878 /nfs/dbraw/zinc/12/38/78/942123878.db2.gz ZQJPIDUQRHTAAO-UHFFFAOYSA-N 1 0 295.339 1.788 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(NC(N)=O)c1 ZINC001227196577 942148160 /nfs/dbraw/zinc/14/81/60/942148160.db2.gz AZJKQIFBBAQYMA-SNVBAGLBSA-O 1 0 252.338 1.651 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cc2n[nH]cc2cc1[N+](=O)[O-] ZINC001230601646 942654821 /nfs/dbraw/zinc/65/48/21/942654821.db2.gz PHXDRHJTUOVAGC-VIFPVBQESA-N 1 0 279.320 1.945 20 5 CDBDRO Cc1ccnc([N+](=O)[O-])c1O[C@H](C)C[N+](C)(C)C ZINC001233557751 943617188 /nfs/dbraw/zinc/61/71/88/943617188.db2.gz VSHHWDWVHPRPAG-SNVBAGLBSA-N 1 0 254.310 1.772 20 5 CDBDRO COC(=O)c1ccc(O[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001234049508 943728363 /nfs/dbraw/zinc/72/83/63/943728363.db2.gz YDVKZARGPSFAMN-JTQLQIEISA-N 1 0 280.280 1.464 20 5 CDBDRO Cc1cc(NC(=O)[C@H]2[NH2+]CC2(C)C)cc([N+](=O)[O-])c1 ZINC001263329474 943834571 /nfs/dbraw/zinc/83/45/71/943834571.db2.gz GUMLXWQBKFKEPN-LLVKDONJSA-N 1 0 263.297 1.840 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000722179949 943968665 /nfs/dbraw/zinc/96/86/65/943968665.db2.gz QVNNTKQOAOZSGC-QMMMGPOBSA-N 1 0 285.731 1.976 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCO3)CC2)cc1 ZINC001254465858 947451718 /nfs/dbraw/zinc/45/17/18/947451718.db2.gz NLPJAIVXCKLIOK-OAHLLOKOSA-N 1 0 291.351 1.942 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCO[C@@H](C[NH3+])C1 ZINC001254536903 947516633 /nfs/dbraw/zinc/51/66/33/947516633.db2.gz VFKMKNQPQLXZNK-YPMHNXCESA-N 1 0 279.340 1.185 20 5 CDBDRO Cc1nc(CC[NH3+])nn1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254539724 947517495 /nfs/dbraw/zinc/51/74/95/947517495.db2.gz KBXZUYDRDCHDHT-SNVBAGLBSA-N 1 0 289.339 1.800 20 5 CDBDRO [NH3+]Cc1cn([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001254566466 947528752 /nfs/dbraw/zinc/52/87/52/947528752.db2.gz KIVQXAKUQFDFIZ-ZDUSSCGKSA-N 1 0 258.281 1.590 20 5 CDBDRO O=C1OCCN1CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254575045 947532844 /nfs/dbraw/zinc/53/28/44/947532844.db2.gz MZZUWSFGFAKYFA-GFCCVEGCSA-N 1 0 291.307 1.104 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CC[C@@H](F)[C@H](O)C1)C2 ZINC001254593153 947543907 /nfs/dbraw/zinc/54/39/07/947543907.db2.gz JMLMZPFUKTUSML-BFHYXJOUSA-N 1 0 280.299 1.467 20 5 CDBDRO C[NH+](C)[C@H]1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254600835 947549029 /nfs/dbraw/zinc/54/90/29/947549029.db2.gz VPGOJLJVNVAXJR-LSDHHAIUSA-N 1 0 275.352 1.698 20 5 CDBDRO CN1CC2(C1)CC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254607668 947551989 /nfs/dbraw/zinc/55/19/89/947551989.db2.gz LXJWKAAGFGHBNW-HNNXBMFYSA-N 1 0 287.363 1.700 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1C[C@H]3C[C@@H](C1)O3)C2 ZINC001254603989 947552125 /nfs/dbraw/zinc/55/21/25/947552125.db2.gz ROAWDMZUERONPB-MCIONIFRSA-N 1 0 260.293 1.535 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCc3nccn3CC1)C2 ZINC001254605503 947553905 /nfs/dbraw/zinc/55/39/05/947553905.db2.gz ANBVDEYWKRCQNR-HNNXBMFYSA-N 1 0 298.346 1.817 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCNC[C@H]1F ZINC001246100222 947951639 /nfs/dbraw/zinc/95/16/39/947951639.db2.gz SIIOATUUEMRQLW-HONMWMINSA-N 1 0 281.331 1.815 20 5 CDBDRO N[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1(F)F ZINC001246603305 948338853 /nfs/dbraw/zinc/33/88/53/948338853.db2.gz YLJFOWHDSBKELK-IVZWLZJFSA-N 1 0 263.288 1.100 20 5 CDBDRO [NH3+]C12CC(c3nc(-c4ncc(F)cc4[N+](=O)[O-])no3)(C1)C2 ZINC001247869522 948831402 /nfs/dbraw/zinc/83/14/02/948831402.db2.gz RTYXKZXGPODSLZ-UHFFFAOYSA-N 1 0 291.242 1.312 20 5 CDBDRO [NH3+][C@H]1CC[C@@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001248243629 948981705 /nfs/dbraw/zinc/98/17/05/948981705.db2.gz JGSYWZVQBFNMKX-SVRRBLITSA-N 1 0 293.258 1.774 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC001330577413 956491529 /nfs/dbraw/zinc/49/15/29/956491529.db2.gz GOQNJLZLBONADS-SNVBAGLBSA-N 1 0 279.340 1.939 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)NC(C)(C)C[NH+](C)C ZINC001310522487 956696289 /nfs/dbraw/zinc/69/62/89/956696289.db2.gz WWRREJGXSSDTON-UHFFFAOYSA-N 1 0 295.343 1.182 20 5 CDBDRO Cc1nn(CN2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001320041595 958891578 /nfs/dbraw/zinc/89/15/78/958891578.db2.gz QMLACBHGZJHBKA-UHFFFAOYSA-N 1 0 281.360 1.473 20 5 CDBDRO CC(C)[NH+]1CCC(N(C)c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001336448585 960352637 /nfs/dbraw/zinc/35/26/37/960352637.db2.gz CNUNJXSCHZBKST-UHFFFAOYSA-N 1 0 293.371 1.881 20 5 CDBDRO Nc1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC001337851135 961466511 /nfs/dbraw/zinc/46/65/11/961466511.db2.gz LIGPLWOKQZWBMP-LLVKDONJSA-N 1 0 291.355 1.637 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001339267431 962285416 /nfs/dbraw/zinc/28/54/16/962285416.db2.gz WMSMYDCLDOQTAK-GFCCVEGCSA-N 1 0 295.314 1.948 20 5 CDBDRO CC[NH+](CC)C[C@H](C)Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001339548104 962421128 /nfs/dbraw/zinc/42/11/28/962421128.db2.gz UORJZLXAPDTGIU-VIFPVBQESA-N 1 0 267.333 1.714 20 5 CDBDRO CC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001341740209 963525415 /nfs/dbraw/zinc/52/54/15/963525415.db2.gz NBQZHIOOACJIEN-LDYMZIIASA-N 1 0 251.286 1.509 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341750631 963529081 /nfs/dbraw/zinc/52/90/81/963529081.db2.gz HFMPSTLMKUEBPP-ZHAHWJHGSA-N 1 0 263.297 1.162 20 5 CDBDRO CC[NH2+]CC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001342519399 963757657 /nfs/dbraw/zinc/75/76/57/963757657.db2.gz RLOJPOUPZQLGKU-SECBINFHSA-N 1 0 251.286 1.382 20 5 CDBDRO CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@@H]1CCC[NH2+]C1 ZINC001343715363 964114970 /nfs/dbraw/zinc/11/49/70/964114970.db2.gz CIRQTMZRHSLRMY-LLVKDONJSA-N 1 0 292.339 1.512 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCOc1ccc2c(c1)CCC2 ZINC001345184042 964624174 /nfs/dbraw/zinc/62/41/74/964624174.db2.gz QUSCWCIUZYLWJZ-UHFFFAOYSA-N 1 0 250.298 1.420 20 5 CDBDRO [NH3+]C1(CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCC1 ZINC001353602981 968098088 /nfs/dbraw/zinc/09/80/88/968098088.db2.gz XOTTXAHHTCHELO-STQMWFEESA-N 1 0 289.335 1.696 20 5 CDBDRO CCC1([NH+](C)C)CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001515925984 969923934 /nfs/dbraw/zinc/92/39/34/969923934.db2.gz AWOFUPDPAAFTPJ-UHFFFAOYSA-N 1 0 293.371 1.883 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)nc1NCC12CC[NH+](CC1)CC2 ZINC001158823671 1163613863 /nfs/dbraw/zinc/61/38/63/1163613863.db2.gz BZIVOMJLLJOHGE-UHFFFAOYSA-N 1 0 297.746 1.936 20 5 CDBDRO C[C@@H](C[NH3+])C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001575978328 1171308520 /nfs/dbraw/zinc/30/85/20/1171308520.db2.gz XYAILJKNXIZMSI-IUCAKERBSA-N 1 0 251.286 1.367 20 5 CDBDRO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC000273976830 398136132 /nfs/dbraw/zinc/13/61/32/398136132.db2.gz PZYLEYFFJMPLTE-DTWKUNHWSA-N 1 0 263.301 1.422 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000590402864 342544002 /nfs/dbraw/zinc/54/40/02/342544002.db2.gz IVAQYYNIYFMVMT-NOZJJQNGSA-N 1 0 295.314 1.899 20 5 CDBDRO C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]1 ZINC000564826501 365527227 /nfs/dbraw/zinc/52/72/27/365527227.db2.gz QBGDEXCXVORCTF-SMDDNHRTSA-N 1 0 279.340 1.704 20 5 CDBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000070169861 361738228 /nfs/dbraw/zinc/73/82/28/361738228.db2.gz GFGWKXFALPKEAR-SNVBAGLBSA-N 1 0 295.314 1.935 20 5 CDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000070170035 361739543 /nfs/dbraw/zinc/73/95/43/361739543.db2.gz OSCIZHGLRLKSIR-VIFPVBQESA-N 1 0 266.301 1.124 20 5 CDBDRO C[C@@H]1C[C@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572751404 361739852 /nfs/dbraw/zinc/73/98/52/361739852.db2.gz HASPXIUBOBDINZ-WOPDTQHZSA-N 1 0 280.324 1.580 20 5 CDBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])cn1C)C1CC1 ZINC000608789714 342048014 /nfs/dbraw/zinc/04/80/14/342048014.db2.gz GUTZFQKOTDRUCO-UHFFFAOYSA-N 1 0 280.328 1.147 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3nc[nH]c3C2)cc1 ZINC000590599509 342579683 /nfs/dbraw/zinc/57/96/83/342579683.db2.gz IBMZREGUXZANNU-UHFFFAOYSA-N 1 0 272.308 1.919 20 5 CDBDRO C[C@]1(O)CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000125008626 187165749 /nfs/dbraw/zinc/16/57/49/187165749.db2.gz NQLATRPDZOIERG-AWEZNQCLSA-N 1 0 280.324 1.820 20 5 CDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])s1 ZINC000609289036 342100514 /nfs/dbraw/zinc/10/05/14/342100514.db2.gz OTBYANRTRXSXRG-JTQLQIEISA-N 1 0 284.385 1.704 20 5 CDBDRO CCC[N@H+](CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000047496460 342101458 /nfs/dbraw/zinc/10/14/58/342101458.db2.gz DWBVGYFROSTRQU-UHFFFAOYSA-N 1 0 268.313 1.678 20 5 CDBDRO Cc1c(NC(=O)NC[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000591272248 342623777 /nfs/dbraw/zinc/62/37/77/342623777.db2.gz OJZWBPCBXWWFKW-ZETCQYMHSA-N 1 0 252.274 1.372 20 5 CDBDRO CC(C)[C@H]([NH3+])CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591275111 342623959 /nfs/dbraw/zinc/62/39/59/342623959.db2.gz DNBGXWCJNWXBOD-LLVKDONJSA-N 1 0 295.339 1.439 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C)[NH3+] ZINC000591299348 342624522 /nfs/dbraw/zinc/62/45/22/342624522.db2.gz HSHPTOULWBEYPY-SSDOTTSWSA-N 1 0 268.273 1.072 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NCC1CC[NH2+]CC1 ZINC000591348283 342626930 /nfs/dbraw/zinc/62/69/30/342626930.db2.gz KRQAYZKXYIQHBG-UHFFFAOYSA-N 1 0 292.339 1.394 20 5 CDBDRO CC[NH2+]CCCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000591344146 342628624 /nfs/dbraw/zinc/62/86/24/342628624.db2.gz KSBWBYVSUGHEST-LLVKDONJSA-N 1 0 294.355 1.955 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(F)c1 ZINC000591440777 342632238 /nfs/dbraw/zinc/63/22/38/342632238.db2.gz XPPJJHLQIZJXGV-KCJUWKMLSA-N 1 0 266.276 1.317 20 5 CDBDRO CC1(C)C[NH2+]CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000591678046 342641553 /nfs/dbraw/zinc/64/15/53/342641553.db2.gz HKWNIXJFWMDPRZ-UHFFFAOYSA-N 1 0 293.323 1.184 20 5 CDBDRO CC[C@@H]1C[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591765670 342645825 /nfs/dbraw/zinc/64/58/25/342645825.db2.gz VASWJGVMGFNGCG-IJLUTSLNSA-N 1 0 280.324 1.723 20 5 CDBDRO CC(C)([NH3+])CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000592229999 342680645 /nfs/dbraw/zinc/68/06/45/342680645.db2.gz KQCCUBJDFBLCCK-UHFFFAOYSA-N 1 0 277.284 1.537 20 5 CDBDRO COc1cccc(C(=O)N2CCC[NH2+]CC2)c1[N+](=O)[O-] ZINC000592287596 342683610 /nfs/dbraw/zinc/68/36/10/342683610.db2.gz XQZTXMATNQSSDC-UHFFFAOYSA-N 1 0 279.296 1.039 20 5 CDBDRO CNc1ccc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000592297320 342684150 /nfs/dbraw/zinc/68/41/50/342684150.db2.gz ZYQFHDICOAWCDZ-KOLCDFICSA-N 1 0 292.339 1.446 20 5 CDBDRO CC1([NH3+])CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000592328353 342685154 /nfs/dbraw/zinc/68/51/54/342685154.db2.gz DVNHNAAZHJUHGK-UHFFFAOYSA-N 1 0 277.324 1.477 20 5 CDBDRO C[C@@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[NH+](C)C ZINC000593404916 342791635 /nfs/dbraw/zinc/79/16/35/342791635.db2.gz YRVPXXKGPLUHLL-VIFPVBQESA-N 1 0 283.303 1.343 20 5 CDBDRO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCC1(F)F ZINC000289957674 361918440 /nfs/dbraw/zinc/91/84/40/361918440.db2.gz WKVGRRQMEVBOBL-VIFPVBQESA-N 1 0 274.271 1.768 20 5 CDBDRO Cc1n[nH]c(C(=O)N(C)CC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000593884667 342844654 /nfs/dbraw/zinc/84/46/54/342844654.db2.gz WFLFSHKNSFPDAM-UHFFFAOYSA-N 1 0 295.343 1.184 20 5 CDBDRO O=C(NCCC1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000593918050 342851151 /nfs/dbraw/zinc/85/11/51/342851151.db2.gz AEQFEUJMMGXKRF-UHFFFAOYSA-N 1 0 277.324 1.714 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCC1CC[NH2+]CC1 ZINC000593918997 342851381 /nfs/dbraw/zinc/85/13/81/342851381.db2.gz LOAQFGLLHBBNEZ-UHFFFAOYSA-N 1 0 280.328 1.053 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](CC)[C@H](C)C1 ZINC000588822477 342222300 /nfs/dbraw/zinc/22/23/00/342222300.db2.gz GRIGWQJJFFHPFR-SNVBAGLBSA-N 1 0 281.360 1.650 20 5 CDBDRO C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000042506800 342262405 /nfs/dbraw/zinc/26/24/05/342262405.db2.gz LNQDUIACHQPXHN-GFCCVEGCSA-N 1 0 291.351 1.738 20 5 CDBDRO Cn1c(C(=O)NC[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000609383235 342264430 /nfs/dbraw/zinc/26/44/30/342264430.db2.gz QLSNCGJLIVZQMT-JTQLQIEISA-N 1 0 280.328 1.005 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCCCCO)OCCO2 ZINC000619199913 349650397 /nfs/dbraw/zinc/65/03/97/349650397.db2.gz PIKSVLDIHOZASH-UHFFFAOYSA-N 1 0 296.323 1.618 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCC2CCC2)c1 ZINC000594731229 342957361 /nfs/dbraw/zinc/95/73/61/342957361.db2.gz GXODLKHMBVEZTO-CYBMUJFWSA-N 1 0 282.344 1.322 20 5 CDBDRO O=[N+]([O-])c1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c2ccncc21 ZINC000107571412 349705558 /nfs/dbraw/zinc/70/55/58/349705558.db2.gz HOWIZPNXWCDRGG-GHMZBOCLSA-N 1 0 284.319 1.799 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107571818 349706726 /nfs/dbraw/zinc/70/67/26/349706726.db2.gz XLQQLGBHUHTLRV-RKDXNWHRSA-N 1 0 267.716 1.904 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CO)CCF ZINC000595049120 342999362 /nfs/dbraw/zinc/99/93/62/342999362.db2.gz YBPSMZRVZRQJIY-VHSXEESVSA-N 1 0 286.303 1.975 20 5 CDBDRO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075021218 342306774 /nfs/dbraw/zinc/30/67/74/342306774.db2.gz LGINNPRIFUQOIZ-LOWVWBTDSA-N 1 0 282.344 1.415 20 5 CDBDRO COC[C@@H](O)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000230160827 349773872 /nfs/dbraw/zinc/77/38/72/349773872.db2.gz UMEOUZQRPHJMRD-ZDUSSCGKSA-N 1 0 268.313 1.124 20 5 CDBDRO CNC(=O)CCC[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595394177 343047113 /nfs/dbraw/zinc/04/71/13/343047113.db2.gz AERKFIVHJXLULD-UHFFFAOYSA-N 1 0 283.303 1.692 20 5 CDBDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595427731 343057319 /nfs/dbraw/zinc/05/73/19/343057319.db2.gz BTUMNGFKWIWXHF-VHSXEESVSA-N 1 0 268.288 1.937 20 5 CDBDRO C[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[NH+](C)C ZINC000342909042 362016608 /nfs/dbraw/zinc/01/66/08/362016608.db2.gz WTAOHBOVCBMCKA-VIFPVBQESA-N 1 0 290.323 1.756 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000235727179 362039341 /nfs/dbraw/zinc/03/93/41/362039341.db2.gz XHHRQNJNQLEKMI-CMPLNLGQSA-N 1 0 277.324 1.774 20 5 CDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cnc[nH]1 ZINC000595595394 343113735 /nfs/dbraw/zinc/11/37/35/343113735.db2.gz GKVAOJHSOXLDHA-UHFFFAOYSA-N 1 0 260.297 1.992 20 5 CDBDRO CC[NH+](CC)[C@H]1CCN(c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000078576451 342338495 /nfs/dbraw/zinc/33/84/95/342338495.db2.gz XBCPXVBCXYGCFD-NSHDSACASA-N 1 0 281.360 1.557 20 5 CDBDRO Cc1cnc(N[C@H](C)CN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000078660583 342339471 /nfs/dbraw/zinc/33/94/71/342339471.db2.gz CLBAOYGTPFYSQB-GFCCVEGCSA-N 1 0 293.371 1.346 20 5 CDBDRO [NH3+][C@H]1C[C@H](C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000595956454 343195698 /nfs/dbraw/zinc/19/56/98/343195698.db2.gz IPYHDQOEYXWDNU-HAQNSBGRSA-N 1 0 289.335 1.823 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000595945017 343205316 /nfs/dbraw/zinc/20/53/16/343205316.db2.gz MNIPDLLEWZCQEK-UHFFFAOYSA-N 1 0 265.313 1.333 20 5 CDBDRO CCC[N@H+](CC)CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000080678001 342358976 /nfs/dbraw/zinc/35/89/76/342358976.db2.gz XQIXUQFPJNVVAH-UHFFFAOYSA-N 1 0 268.321 1.111 20 5 CDBDRO C[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000596014854 343219337 /nfs/dbraw/zinc/21/93/37/343219337.db2.gz UNHLZGZRBKMTDX-SECBINFHSA-N 1 0 298.318 1.330 20 5 CDBDRO C[NH+](C)C1(CNc2cc[nH]c(=O)c2[N+](=O)[O-])CCOCC1 ZINC000596128238 343237786 /nfs/dbraw/zinc/23/77/86/343237786.db2.gz KOCCDVFAQUTBJG-UHFFFAOYSA-N 1 0 296.327 1.218 20 5 CDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(C)(C)C[NH+](C)C ZINC000085288978 342382561 /nfs/dbraw/zinc/38/25/61/342382561.db2.gz WCLVBPRTLBTPHG-VIFPVBQESA-N 1 0 282.344 1.629 20 5 CDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596231470 343261620 /nfs/dbraw/zinc/26/16/20/343261620.db2.gz JORQUIIQJDEENQ-WDEREUQCSA-N 1 0 292.339 1.758 20 5 CDBDRO CC(C)N(CC[NH+](C)C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596219651 343269817 /nfs/dbraw/zinc/26/98/17/343269817.db2.gz UPCLUEYBAIEMAP-UHFFFAOYSA-N 1 0 294.355 1.470 20 5 CDBDRO CC[N@@H+]1CCCN(c2c([N+](=O)[O-])ncn2C)[C@H](C)C1 ZINC000596270276 343281607 /nfs/dbraw/zinc/28/16/07/343281607.db2.gz YEORKBLCKABMJF-SNVBAGLBSA-N 1 0 267.333 1.249 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000596447837 343323971 /nfs/dbraw/zinc/32/39/71/343323971.db2.gz VPIZEFXSFRMQRJ-SECBINFHSA-N 1 0 280.328 1.526 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1([NH+](C)C)CC1 ZINC000596776146 343385516 /nfs/dbraw/zinc/38/55/16/343385516.db2.gz JIVWORQYYNCLLG-UHFFFAOYSA-N 1 0 277.324 1.647 20 5 CDBDRO O=C1[C@H](NCc2csc([N+](=O)[O-])c2)C[C@@H]2CCCCN12 ZINC000453622180 252329475 /nfs/dbraw/zinc/32/94/75/252329475.db2.gz JHENWNDJSMVVIQ-WDEREUQCSA-N 1 0 295.364 1.899 20 5 CDBDRO C[NH+](C)CC(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000457218938 365770807 /nfs/dbraw/zinc/77/08/07/365770807.db2.gz JGJUBVDKXYIQEN-UHFFFAOYSA-N 1 0 265.313 1.665 20 5 CDBDRO Cc1c(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598667453 343862650 /nfs/dbraw/zinc/86/26/50/343862650.db2.gz HSQXQRHUAOAAEJ-IAQYHMDHSA-N 1 0 289.335 1.857 20 5 CDBDRO Cc1nc(NC2CC[NH+](CC3CC3)CC2)ncc1[N+](=O)[O-] ZINC000295520444 199545710 /nfs/dbraw/zinc/54/57/10/199545710.db2.gz MHOXLUJUXGTZBM-UHFFFAOYSA-N 1 0 291.355 1.980 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598913284 343918975 /nfs/dbraw/zinc/91/89/75/343918975.db2.gz IKNDODZAKSEVCZ-MRVPVSSYSA-N 1 0 284.291 1.853 20 5 CDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ncc([N+](=O)[O-])s1 ZINC000249104796 362255333 /nfs/dbraw/zinc/25/53/33/362255333.db2.gz WYGVPARGQQQKDT-RKDXNWHRSA-N 1 0 270.358 1.828 20 5 CDBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1C[C@@H](O)C1 ZINC000599673871 344114741 /nfs/dbraw/zinc/11/47/41/344114741.db2.gz VAVDMUHFWXHMGV-WVSHTKLVSA-N 1 0 268.288 1.937 20 5 CDBDRO C[C@]1(CO)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000599624242 344097562 /nfs/dbraw/zinc/09/75/62/344097562.db2.gz SQJFUXHGYJBVAY-GASCZTMLSA-N 1 0 294.351 1.408 20 5 CDBDRO CCN(C(=O)c1[nH]nc(C)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000599985389 344159863 /nfs/dbraw/zinc/15/98/63/344159863.db2.gz DOZSIHAJLIABKB-UHFFFAOYSA-N 1 0 295.343 1.183 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCSCC[NH+](C)C ZINC000601912391 344279195 /nfs/dbraw/zinc/27/91/95/344279195.db2.gz KUGACSVBPYLKCL-UHFFFAOYSA-N 1 0 258.347 1.395 20 5 CDBDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000601964342 344297842 /nfs/dbraw/zinc/29/78/42/344297842.db2.gz NRLROKWCXMPECN-CYBMUJFWSA-N 1 0 290.323 1.284 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601975521 344305099 /nfs/dbraw/zinc/30/50/99/344305099.db2.gz QCPAAYFNRMAMEE-DOMZBBRYSA-N 1 0 289.335 1.396 20 5 CDBDRO C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000602430604 344423345 /nfs/dbraw/zinc/42/33/45/344423345.db2.gz JPAQPYBCYOHHLG-UWVGGRQHSA-N 1 0 295.314 1.852 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1[N+](=O)[O-] ZINC000602599156 344504087 /nfs/dbraw/zinc/50/40/87/344504087.db2.gz FAYFYDDBHHITLI-QWRGUYRKSA-N 1 0 261.281 1.090 20 5 CDBDRO [NH3+]CC[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])C(F)F ZINC000602493738 344451036 /nfs/dbraw/zinc/45/10/36/344451036.db2.gz DNEQVXOZYXWPKS-SSDOTTSWSA-N 1 0 291.229 1.446 20 5 CDBDRO C[C@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000602512405 344459440 /nfs/dbraw/zinc/45/94/40/344459440.db2.gz YEZRAWYBGFEZOD-UWVGGRQHSA-N 1 0 295.314 1.791 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602514428 344460033 /nfs/dbraw/zinc/46/00/33/344460033.db2.gz MVYNCDZKCIKPIN-JGVFFNPUSA-N 1 0 269.276 1.590 20 5 CDBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cn1)c1ccco1 ZINC000273196488 192071728 /nfs/dbraw/zinc/07/17/28/192071728.db2.gz QRKIPCUYOGQGBC-SNVBAGLBSA-N 1 0 277.284 1.693 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000602535783 344470847 /nfs/dbraw/zinc/47/08/47/344470847.db2.gz SJRMFTPKLYYJBL-UHFFFAOYSA-N 1 0 267.285 1.024 20 5 CDBDRO CC[C@H](C)[C@H](C[NH2+]CCn1cc([N+](=O)[O-])cn1)OC ZINC000602568775 344484555 /nfs/dbraw/zinc/48/45/55/344484555.db2.gz MHOMLRIJSBQVBT-JQWIXIFHSA-N 1 0 270.333 1.442 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CO)CC(F)F)cc1 ZINC000602636482 344510232 /nfs/dbraw/zinc/51/02/32/344510232.db2.gz IMIZVIQOMWZACK-JTQLQIEISA-N 1 0 274.267 1.743 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCN2CCCOCC2)cc1 ZINC000602663776 344535246 /nfs/dbraw/zinc/53/52/46/344535246.db2.gz TUDNREDGTDOQAY-UHFFFAOYSA-N 1 0 293.367 1.449 20 5 CDBDRO Cc1ccc(CN2CC[N@@H+](C)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000602714674 344554725 /nfs/dbraw/zinc/55/47/25/344554725.db2.gz IZKNHBIUUINQMN-CYBMUJFWSA-N 1 0 279.340 1.012 20 5 CDBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602780774 344596438 /nfs/dbraw/zinc/59/64/38/344596438.db2.gz RTIOFZZNQLDDEM-CHWSQXEVSA-N 1 0 296.371 1.725 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(OC(C)C)CC1 ZINC000602774726 344577814 /nfs/dbraw/zinc/57/78/14/344577814.db2.gz ADZQIMGMDKCDDU-UHFFFAOYSA-N 1 0 296.371 1.989 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CCC[C@@H]1C ZINC000602817367 344607468 /nfs/dbraw/zinc/60/74/68/344607468.db2.gz BANKSKKWENFWOR-ONGXEEELSA-N 1 0 252.318 1.878 20 5 CDBDRO CSC1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602921665 344651039 /nfs/dbraw/zinc/65/10/39/344651039.db2.gz WTEIIYLRFMEJLD-UHFFFAOYSA-N 1 0 284.385 1.927 20 5 CDBDRO Cc1c(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)cccc1[N+](=O)[O-] ZINC000602907222 344644134 /nfs/dbraw/zinc/64/41/34/344644134.db2.gz LIWAEOXVWWBBSS-TZMCWYRMSA-N 1 0 280.324 1.221 20 5 CDBDRO C[NH2+]Cc1cn([C@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603250585 344751725 /nfs/dbraw/zinc/75/17/25/344751725.db2.gz KINIDBLNSXVWCD-SNVBAGLBSA-N 1 0 275.312 1.823 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)n1cc(CCC[NH3+])nn1 ZINC000603251951 344752578 /nfs/dbraw/zinc/75/25/78/344752578.db2.gz QNYVICJPNIHICF-NSHDSACASA-N 1 0 289.339 1.995 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CSCC[NH2+]1 ZINC000603420624 344799658 /nfs/dbraw/zinc/79/96/58/344799658.db2.gz VCZNNQLFXNGGRQ-VIFPVBQESA-N 1 0 271.317 1.851 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000314490230 344912027 /nfs/dbraw/zinc/91/20/27/344912027.db2.gz INZKJWBKDWBHEJ-KOLCDFICSA-N 1 0 292.339 1.342 20 5 CDBDRO CC(C)(C)[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000344213901 362555285 /nfs/dbraw/zinc/55/52/85/362555285.db2.gz OLQQFOZVYXZLSI-AAEUAGOBSA-N 1 0 296.371 1.520 20 5 CDBDRO CC[C@]1(C)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000344240980 362558567 /nfs/dbraw/zinc/55/85/67/362558567.db2.gz RMIFFORLEAJDCN-CHWSQXEVSA-N 1 0 282.344 1.274 20 5 CDBDRO C[C@@]1(NC(=O)Cc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000230733074 345440746 /nfs/dbraw/zinc/44/07/46/345440746.db2.gz XJNVGQYRFJVUCN-CYBMUJFWSA-N 1 0 263.297 1.006 20 5 CDBDRO CC[C@H](C[NH+]1CCCC1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000609839871 346005598 /nfs/dbraw/zinc/00/55/98/346005598.db2.gz FPQHLWUVFAOVBT-SECBINFHSA-N 1 0 280.332 1.084 20 5 CDBDRO CC(C)(C(=O)N1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000219578291 346229752 /nfs/dbraw/zinc/22/97/52/346229752.db2.gz IEGCMPCHNZTZNY-UHFFFAOYSA-N 1 0 277.324 1.304 20 5 CDBDRO CCC[C@H]([NH3+])C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000228890993 140198336 /nfs/dbraw/zinc/19/83/36/140198336.db2.gz QJURNHUOSUNXCX-VIFPVBQESA-N 1 0 267.285 1.669 20 5 CDBDRO CC[C@@H]([NH3+])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766544 346368093 /nfs/dbraw/zinc/36/80/93/346368093.db2.gz QNTLMENDYYIIBQ-LDYMZIIASA-N 1 0 251.286 1.509 20 5 CDBDRO C[N@@H+]1CC[C@@](O)(CNc2sccc2[N+](=O)[O-])C1 ZINC000613049749 347383287 /nfs/dbraw/zinc/38/32/87/347383287.db2.gz XOOOECWKVPYKIP-SNVBAGLBSA-N 1 0 257.315 1.135 20 5 CDBDRO C[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000164686387 347536751 /nfs/dbraw/zinc/53/67/51/347536751.db2.gz SRJRNOVRJLLPOS-UHFFFAOYSA-N 1 0 272.308 1.895 20 5 CDBDRO CC(C)[C@H]([NH3+])CCN(C)Cc1c([N+](=O)[O-])ncn1C ZINC000430557217 535063850 /nfs/dbraw/zinc/06/38/50/535063850.db2.gz SFGQJQAPSRUTAB-SNVBAGLBSA-N 1 0 269.349 1.134 20 5 CDBDRO CC[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000122514403 347651905 /nfs/dbraw/zinc/65/19/05/347651905.db2.gz FTQQGZMYVOFILI-TZMCWYRMSA-N 1 0 291.351 1.723 20 5 CDBDRO CC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000122616037 347669320 /nfs/dbraw/zinc/66/93/20/347669320.db2.gz KKQPKDHBIRYOJG-GXFFZTMASA-N 1 0 277.324 1.794 20 5 CDBDRO C[C@H](O)CCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000618969394 348405199 /nfs/dbraw/zinc/40/51/99/348405199.db2.gz QBBPROWESNKFIY-JTQLQIEISA-N 1 0 296.323 1.617 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000060626306 348894830 /nfs/dbraw/zinc/89/48/30/348894830.db2.gz MWOSRWZWQXWSBV-VIFPVBQESA-N 1 0 283.353 1.870 20 5 CDBDRO COc1ccc(C[N@H+](C)CC2CC(O)C2)cc1[N+](=O)[O-] ZINC000091499378 180173629 /nfs/dbraw/zinc/17/36/29/180173629.db2.gz DCUYYDTZPOTULN-UHFFFAOYSA-N 1 0 280.324 1.806 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000109849793 186277480 /nfs/dbraw/zinc/27/74/80/186277480.db2.gz HGCWXQDSEJZJPE-LLVKDONJSA-N 1 0 293.323 1.042 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000111051872 186348533 /nfs/dbraw/zinc/34/85/33/186348533.db2.gz MMGIKSZTAGMVSE-JTQLQIEISA-N 1 0 265.313 1.649 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000312403885 350768291 /nfs/dbraw/zinc/76/82/91/350768291.db2.gz HXLMIRXMVRNKKY-VDDIYKPWSA-N 1 0 280.328 1.050 20 5 CDBDRO CCC(CC)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000125016891 351394567 /nfs/dbraw/zinc/39/45/67/351394567.db2.gz UGEXPOTXVUQTRJ-GFCCVEGCSA-N 1 0 270.333 1.178 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000156157630 351451880 /nfs/dbraw/zinc/45/18/80/351451880.db2.gz JJVRRDIFGSRYTO-UWVGGRQHSA-N 1 0 299.352 1.095 20 5 CDBDRO C[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])C[NH+](C)C ZINC000291669927 198057056 /nfs/dbraw/zinc/05/70/56/198057056.db2.gz DLMCJMIBLJIZES-SECBINFHSA-N 1 0 280.328 1.303 20 5 CDBDRO COc1ccc(NC(=O)CC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000136483773 363122569 /nfs/dbraw/zinc/12/25/69/363122569.db2.gz UTJXMLIJWAFMEW-SNVBAGLBSA-N 1 0 293.323 1.932 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000292398293 198273063 /nfs/dbraw/zinc/27/30/63/198273063.db2.gz OEHXIUAGVWKHDA-VIFPVBQESA-N 1 0 283.303 1.661 20 5 CDBDRO CCC(CC)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000156714848 188278118 /nfs/dbraw/zinc/27/81/18/188278118.db2.gz ILJYBEORIZBCAB-UHFFFAOYSA-N 1 0 295.339 1.851 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000295186929 199395047 /nfs/dbraw/zinc/39/50/47/199395047.db2.gz IIQOMTVQBSUWSH-NSHDSACASA-N 1 0 294.355 1.640 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[NH2+]C1 ZINC000273020247 192021614 /nfs/dbraw/zinc/02/16/14/192021614.db2.gz KTWYPGDQUQMTOF-GFCCVEGCSA-N 1 0 277.324 1.253 20 5 CDBDRO C[C@H]1CC[NH2+][C@H](C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000127089574 356267315 /nfs/dbraw/zinc/26/73/15/356267315.db2.gz LJFQSODOXPOKKK-JQWIXIFHSA-N 1 0 277.324 1.599 20 5 CDBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])cn1 ZINC000273659665 192250784 /nfs/dbraw/zinc/25/07/84/192250784.db2.gz VVBZDHICHWPFSN-WDEREUQCSA-N 1 0 279.344 1.917 20 5 CDBDRO CCC[N@H+](CCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136812771 366294510 /nfs/dbraw/zinc/29/45/10/366294510.db2.gz SHMDXNXAUGXQDU-CYBMUJFWSA-N 1 0 268.313 1.333 20 5 CDBDRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cn1 ZINC000274499467 356685143 /nfs/dbraw/zinc/68/51/43/356685143.db2.gz RRRFOZNHAROMEO-LBPRGKRZSA-N 1 0 293.371 1.428 20 5 CDBDRO C[C@H]([NH2+]C[C@@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293877674 198807786 /nfs/dbraw/zinc/80/77/86/198807786.db2.gz VIEDDUBUCUZZOS-UWVGGRQHSA-N 1 0 265.313 1.864 20 5 CDBDRO [NH3+][C@@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000149407942 357288135 /nfs/dbraw/zinc/28/81/35/357288135.db2.gz QNQILXDPFDTSFK-MRVPVSSYSA-N 1 0 256.693 1.571 20 5 CDBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000261606807 357252151 /nfs/dbraw/zinc/25/21/51/357252151.db2.gz AHBUQYPXFXTNRX-QMMMGPOBSA-N 1 0 292.295 1.804 20 5 CDBDRO COCC[NH2+]CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000261868912 357337126 /nfs/dbraw/zinc/33/71/26/357337126.db2.gz YSNWFNVXEQLSCB-UHFFFAOYSA-N 1 0 297.340 1.247 20 5 CDBDRO CCNC(=O)CN(CC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000119304459 357368010 /nfs/dbraw/zinc/36/80/10/357368010.db2.gz VOHIUYWNYZGQIO-UHFFFAOYSA-N 1 0 279.340 1.861 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000566184413 357425814 /nfs/dbraw/zinc/42/58/14/357425814.db2.gz PTOPQBHDUACDLA-LLVKDONJSA-N 1 0 278.287 1.981 20 5 CDBDRO C[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000311652978 357434894 /nfs/dbraw/zinc/43/48/94/357434894.db2.gz FCZCQYCCFUYJFL-UHFFFAOYSA-N 1 0 267.304 1.871 20 5 CDBDRO CC(C)(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(N)=O ZINC000283039894 357520412 /nfs/dbraw/zinc/52/04/12/357520412.db2.gz IHXYTUHEMPWGGG-NSHDSACASA-N 1 0 283.303 1.724 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c(F)c1 ZINC000360763374 357683629 /nfs/dbraw/zinc/68/36/29/357683629.db2.gz JVEABCRBXUKZFS-NEPJUHHUSA-N 1 0 298.314 1.469 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000135227369 357798587 /nfs/dbraw/zinc/79/85/87/357798587.db2.gz OCNOVIYGFDGUNK-LBPRGKRZSA-N 1 0 277.324 1.205 20 5 CDBDRO Cc1cc(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000135245456 357810186 /nfs/dbraw/zinc/81/01/86/357810186.db2.gz MUOHIGLNZCCYIL-ZWNOBZJWSA-N 1 0 293.323 1.091 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000188833787 357943039 /nfs/dbraw/zinc/94/30/39/357943039.db2.gz STNINQOWCIWBDE-CMPLNLGQSA-N 1 0 250.298 1.845 20 5 CDBDRO O=[N+]([O-])c1ccc(CCN2CCC[C@@](F)(CO)C2)cc1 ZINC000286702462 357959133 /nfs/dbraw/zinc/95/91/33/357959133.db2.gz BIOYQPPOJVVBCD-AWEZNQCLSA-N 1 0 282.315 1.934 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+]2C)n1 ZINC000225807759 358091937 /nfs/dbraw/zinc/09/19/37/358091937.db2.gz JEDUIFKRRKRUBN-SECBINFHSA-N 1 0 294.311 1.283 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000193581765 358305388 /nfs/dbraw/zinc/30/53/88/358305388.db2.gz GMKBKTKLMIMBNF-MFKMUULPSA-N 1 0 293.323 1.230 20 5 CDBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1csc([N+](=O)[O-])c1 ZINC000294798551 199188227 /nfs/dbraw/zinc/18/82/27/199188227.db2.gz IGIVYJHJJDMQQJ-SNVBAGLBSA-N 1 0 283.353 1.918 20 5 CDBDRO CC(=O)c1ccc(NCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000098128791 358653412 /nfs/dbraw/zinc/65/34/12/358653412.db2.gz LJWQDHBLYZCDON-UHFFFAOYSA-N 1 0 251.286 1.771 20 5 CDBDRO CCC[N@H+](CC)C[C@@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000290856005 358683029 /nfs/dbraw/zinc/68/30/29/358683029.db2.gz QEBNLJSCRDUOSF-SNVBAGLBSA-N 1 0 269.349 1.861 20 5 CDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000567487148 358688458 /nfs/dbraw/zinc/68/84/58/358688458.db2.gz CDUZOAGRCRSSJL-TXEJJXNPSA-N 1 0 279.340 1.734 20 5 CDBDRO C[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072874664 358797379 /nfs/dbraw/zinc/79/73/79/358797379.db2.gz GXEXRARFSRNYGJ-SECBINFHSA-N 1 0 263.297 1.678 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC001579734008 1172250320 /nfs/dbraw/zinc/25/03/20/1172250320.db2.gz JPMOGFSNGSMSSX-UWVGGRQHSA-N 1 0 278.312 1.857 20 5 CDBDRO CC(C)(O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000540601076 359075748 /nfs/dbraw/zinc/07/57/48/359075748.db2.gz QEMALQLOIHNBKG-ALCCZGGFSA-N 1 0 250.298 1.969 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](CO)CC(C)(C)C ZINC000451774918 359078067 /nfs/dbraw/zinc/07/80/67/359078067.db2.gz CDXUPOCWFWNRBL-LLVKDONJSA-N 1 0 284.360 1.520 20 5 CDBDRO C[C@H](O)CN(C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000159400544 359059055 /nfs/dbraw/zinc/05/90/55/359059055.db2.gz XONMFDZPLFEGBU-UWVGGRQHSA-N 1 0 281.312 1.234 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000127703303 359278534 /nfs/dbraw/zinc/27/85/34/359278534.db2.gz VQSVZSHWPQTJPE-SNVBAGLBSA-N 1 0 281.287 1.558 20 5 CDBDRO C[NH2+]CCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000237060809 363638216 /nfs/dbraw/zinc/63/82/16/363638216.db2.gz WSVBBYCXRXPAGL-SECBINFHSA-N 1 0 283.353 1.411 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H]2C[C@@H]3C=C[C@H]2C3)c1 ZINC000151289474 236968144 /nfs/dbraw/zinc/96/81/44/236968144.db2.gz FCSUTRKZHYTABR-WOPDTQHZSA-N 1 0 262.313 1.593 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000050394697 359440207 /nfs/dbraw/zinc/44/02/07/359440207.db2.gz OAZBVFZZZHWIAL-JQWIXIFHSA-N 1 0 277.324 1.832 20 5 CDBDRO O=C(C[C@H]1CCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000157472862 237104405 /nfs/dbraw/zinc/10/44/05/237104405.db2.gz QSSXCWIGTKWHJF-CYBMUJFWSA-N 1 0 289.335 1.622 20 5 CDBDRO C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000050163057 359601864 /nfs/dbraw/zinc/60/18/64/359601864.db2.gz FOJHXCGYCOZUAH-BDAKNGLRSA-N 1 0 283.353 1.774 20 5 CDBDRO Cc1c(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000487309899 359945709 /nfs/dbraw/zinc/94/57/09/359945709.db2.gz PHFUNDKCPXMMNQ-GWCFXTLKSA-N 1 0 291.351 1.717 20 5 CDBDRO [NH3+]C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000087383604 360138887 /nfs/dbraw/zinc/13/88/87/360138887.db2.gz JAYBYZMWFXSORL-QMMMGPOBSA-N 1 0 255.299 1.123 20 5 CDBDRO Nc1c(C(=O)N2CCCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000237957862 360217131 /nfs/dbraw/zinc/21/71/31/360217131.db2.gz JFZCFSYRNBMESN-SECBINFHSA-N 1 0 278.312 1.130 20 5 CDBDRO C[C@H](C(=O)NCC[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000514822742 360234672 /nfs/dbraw/zinc/23/46/72/360234672.db2.gz ZMEPVKHANJBJNU-NSHDSACASA-N 1 0 291.351 1.909 20 5 CDBDRO [NH3+]CCCCC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000514860592 360238686 /nfs/dbraw/zinc/23/86/86/360238686.db2.gz MWAVPAWLCLRIJG-UHFFFAOYSA-N 1 0 265.313 1.383 20 5 CDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1c([N+](=O)[O-])ncn1C ZINC000408393343 360786854 /nfs/dbraw/zinc/78/68/54/360786854.db2.gz LNCGNOLXBDSHRR-MNOVXSKESA-N 1 0 279.344 1.391 20 5 CDBDRO Cc1cc(C(=O)N(C)[C@@H](C)C[NH3+])cc([N+](=O)[O-])c1 ZINC000179204407 189177299 /nfs/dbraw/zinc/17/72/99/189177299.db2.gz RBKKRGGDVKEZLS-VIFPVBQESA-N 1 0 251.286 1.322 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000053202359 361204259 /nfs/dbraw/zinc/20/42/59/361204259.db2.gz CYFYQFQZZOZANN-GFCCVEGCSA-N 1 0 277.324 1.348 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)[NH2+]1 ZINC000070076112 361238308 /nfs/dbraw/zinc/23/83/08/361238308.db2.gz KPGMZEVGVCKZPC-IUCAKERBSA-N 1 0 281.287 1.556 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCCC1 ZINC000053284114 361541193 /nfs/dbraw/zinc/54/11/93/361541193.db2.gz DSCRCNAQIAREFE-UHFFFAOYSA-N 1 0 293.323 1.429 20 5 CDBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cn1)C1CC1 ZINC000302087577 201337533 /nfs/dbraw/zinc/33/75/33/201337533.db2.gz FQGUPAWQLJJLQP-SNVBAGLBSA-N 1 0 251.290 1.137 20 5 CDBDRO Cc1c([N+](=O)[O-])ccc(=O)n1CC[C@H]1CC[NH2+]C1 ZINC000580560590 363923415 /nfs/dbraw/zinc/92/34/15/363923415.db2.gz NNVFJFAXNLBPGA-SNVBAGLBSA-N 1 0 251.286 1.065 20 5 CDBDRO C[C@H]1SCC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000174868125 364586069 /nfs/dbraw/zinc/58/60/69/364586069.db2.gz ZBIWJGSJGKGXFB-NXEZZACHSA-N 1 0 270.358 1.617 20 5 CDBDRO C[C@@H]1[C@H](C)SCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174868104 364586231 /nfs/dbraw/zinc/58/62/31/364586231.db2.gz ZBIWJGSJGKGXFB-ZJUUUORDSA-N 1 0 270.358 1.617 20 5 CDBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000036793808 299345689 /nfs/dbraw/zinc/34/56/89/299345689.db2.gz ZSICAPYZPVIKEX-UWVGGRQHSA-N 1 0 265.313 1.722 20 5 CDBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000457036266 365278361 /nfs/dbraw/zinc/27/83/61/365278361.db2.gz PYCSBHBJCHQDQZ-UHFFFAOYSA-N 1 0 281.312 1.792 20 5 CDBDRO Cc1n[nH]c(C(=O)N(C)CC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000275796138 193130355 /nfs/dbraw/zinc/13/03/55/193130355.db2.gz HETNYGWNWHYDFJ-UHFFFAOYSA-N 1 0 295.343 1.183 20 5 CDBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548419861 366904040 /nfs/dbraw/zinc/90/40/40/366904040.db2.gz UOGNUUSMKIPOFF-JTQLQIEISA-N 1 0 295.343 1.312 20 5 CDBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2cc([N+](=O)[O-])n[nH]2)n1 ZINC000414621274 241279859 /nfs/dbraw/zinc/27/98/59/241279859.db2.gz LTUWWHIMJQFBJX-ZCFIWIBFSA-N 1 0 266.261 1.414 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)C[NH3+] ZINC000414656066 241304320 /nfs/dbraw/zinc/30/43/20/241304320.db2.gz MHIGQPHBTBDTLY-UHFFFAOYSA-N 1 0 282.300 1.462 20 5 CDBDRO Cc1ccc(NC(=O)N2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000414657527 241305630 /nfs/dbraw/zinc/30/56/30/241305630.db2.gz KISGRRHVWSHNLA-VIFPVBQESA-N 1 0 264.285 1.468 20 5 CDBDRO Cc1c(NC(=O)NC[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000414697259 241333541 /nfs/dbraw/zinc/33/35/41/241333541.db2.gz IHXQLFHFDPZNAW-JTQLQIEISA-N 1 0 278.312 1.777 20 5 CDBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC000269135833 367322852 /nfs/dbraw/zinc/32/28/52/367322852.db2.gz QIEFQCCKOHLQRM-UHFFFAOYSA-N 1 0 283.715 1.684 20 5 CDBDRO Cc1ccc(CN(C)[C@@H]2COC[C@@H]2O)cc1[N+](=O)[O-] ZINC000348639748 367598604 /nfs/dbraw/zinc/59/86/04/367598604.db2.gz DTFUKAHUTALXCQ-OLZOCXBDSA-N 1 0 266.297 1.095 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000272734885 367813700 /nfs/dbraw/zinc/81/37/00/367813700.db2.gz PWSXZEWTQNIRPT-VIFPVBQESA-N 1 0 281.316 1.452 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000272591215 367778955 /nfs/dbraw/zinc/77/89/55/367778955.db2.gz PMHKAIXIHLMNNX-NWDGAFQWSA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000418565737 243217889 /nfs/dbraw/zinc/21/78/89/243217889.db2.gz LSBONOPXZSCJCO-VIFPVBQESA-N 1 0 280.328 1.476 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000418621689 243285696 /nfs/dbraw/zinc/28/56/96/243285696.db2.gz TXXWOXDQWRSANL-JTQLQIEISA-N 1 0 280.328 1.126 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000276009630 193187200 /nfs/dbraw/zinc/18/72/00/193187200.db2.gz PTQMPYCYTQNRBF-UHFFFAOYSA-N 1 0 277.324 1.809 20 5 CDBDRO CC[NH+]1CCC(N(C)C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000330626512 203055070 /nfs/dbraw/zinc/05/50/70/203055070.db2.gz IYDACKIKJSFVDS-UHFFFAOYSA-N 1 0 295.343 1.183 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000089107262 368970417 /nfs/dbraw/zinc/97/04/17/368970417.db2.gz YVKZRDSBQNRBSF-BDAKNGLRSA-N 1 0 266.301 1.170 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000420293527 244038213 /nfs/dbraw/zinc/03/82/13/244038213.db2.gz YDCHRYSBBSFWGI-JGVFFNPUSA-N 1 0 256.331 1.403 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000276053422 193199587 /nfs/dbraw/zinc/19/95/87/193199587.db2.gz UOOZBEHDUFFDNU-UHFFFAOYSA-N 1 0 295.314 1.948 20 5 CDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](C)C1 ZINC000420342668 244116620 /nfs/dbraw/zinc/11/66/20/244116620.db2.gz XSHVHWNDSWIDAM-QWRGUYRKSA-N 1 0 292.339 1.216 20 5 CDBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1CO ZINC000276110298 193216299 /nfs/dbraw/zinc/21/62/99/193216299.db2.gz XJSSOBNGBNIOCD-RNCFNFMXSA-N 1 0 268.288 1.937 20 5 CDBDRO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCC1(F)F ZINC000289698924 369625354 /nfs/dbraw/zinc/62/53/54/369625354.db2.gz HGIGOFKONKGOLV-SECBINFHSA-N 1 0 274.271 1.768 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000295216454 369673776 /nfs/dbraw/zinc/67/37/76/369673776.db2.gz MEKBIQUCABSWFM-UWVGGRQHSA-N 1 0 297.380 1.929 20 5 CDBDRO COC[C@](C)([NH3+])CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000276538212 193372444 /nfs/dbraw/zinc/37/24/44/193372444.db2.gz CSFRUJUZGJJEEJ-CQSZACIVSA-N 1 0 290.323 1.919 20 5 CDBDRO COc1ccc(OCC[N@@H+]2C[C@@H](C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000351836723 369784871 /nfs/dbraw/zinc/78/48/71/369784871.db2.gz WYMHDTRBZSWPJN-MFKMUULPSA-N 1 0 296.323 1.295 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C1CC([NH3+])C1 ZINC000295309442 369920230 /nfs/dbraw/zinc/92/02/30/369920230.db2.gz VUSXTIAGPKUDOH-UHFFFAOYSA-N 1 0 267.260 1.296 20 5 CDBDRO CC[C@@H](CO)[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000295599877 370512910 /nfs/dbraw/zinc/51/29/10/370512910.db2.gz CDVKQNIFKCLMDB-JTQLQIEISA-N 1 0 286.303 1.945 20 5 CDBDRO COc1ccc(NC(=O)NC(C)(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000422579543 245121582 /nfs/dbraw/zinc/12/15/82/245121582.db2.gz YWFWMIMODIIBNU-UHFFFAOYSA-N 1 0 296.327 1.852 20 5 CDBDRO Cc1c(CC(=O)NC2(C[NH3+])CCCC2)cccc1[N+](=O)[O-] ZINC000422817601 245294189 /nfs/dbraw/zinc/29/41/89/245294189.db2.gz HYWCPUZVPFYHGD-UHFFFAOYSA-N 1 0 291.351 1.833 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000422856322 245339810 /nfs/dbraw/zinc/33/98/10/245339810.db2.gz WVXAQKPGKDFFQB-SNVBAGLBSA-N 1 0 295.339 1.707 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000277510683 193676949 /nfs/dbraw/zinc/67/69/49/193676949.db2.gz KKELBAOSFSRWDP-FKULILBMSA-N 1 0 289.335 1.722 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000224047612 373365981 /nfs/dbraw/zinc/36/59/81/373365981.db2.gz JRUVKWFUEUOJDX-SNVBAGLBSA-N 1 0 278.312 1.001 20 5 CDBDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810237 373399837 /nfs/dbraw/zinc/39/98/37/373399837.db2.gz LXRLTPBMAIVMPE-ZWNOBZJWSA-N 1 0 279.340 1.927 20 5 CDBDRO Cc1cc(C(=O)NCCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000121824347 373461739 /nfs/dbraw/zinc/46/17/39/373461739.db2.gz LYUDTGBEKMSHBP-UHFFFAOYSA-N 1 0 265.313 1.585 20 5 CDBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000352129269 373509999 /nfs/dbraw/zinc/50/99/99/373509999.db2.gz OVPZJPHMKDHWNA-CQSZACIVSA-N 1 0 295.339 1.027 20 5 CDBDRO C[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)C(C)(C)C[NH+](C)C ZINC000301355080 373511397 /nfs/dbraw/zinc/51/13/97/373511397.db2.gz OEJDESGXHNNLOR-QMMMGPOBSA-N 1 0 282.348 1.355 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[NH+](C)C ZINC000298339818 373518905 /nfs/dbraw/zinc/51/89/05/373518905.db2.gz IIAIUJHCWUYDJA-SNVBAGLBSA-N 1 0 265.313 1.583 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000441611395 373594339 /nfs/dbraw/zinc/59/43/39/373594339.db2.gz MWUFNCGRLACSRF-MRVPVSSYSA-N 1 0 277.280 1.666 20 5 CDBDRO Cc1c(CC(=O)N[C@H](C)CC[NH3+])cccc1[N+](=O)[O-] ZINC000423504835 245862924 /nfs/dbraw/zinc/86/29/24/245862924.db2.gz LCWQZOGZDVFLIU-SECBINFHSA-N 1 0 265.313 1.299 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCC[NH2+]C1 ZINC000091558635 374033366 /nfs/dbraw/zinc/03/33/66/374033366.db2.gz YKYVYZUIJSCAGM-VIFPVBQESA-N 1 0 253.306 1.284 20 5 CDBDRO Cc1cnc(N(C)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000420137329 374286802 /nfs/dbraw/zinc/28/68/02/374286802.db2.gz KWVKTJQSGMIRNQ-UHFFFAOYSA-N 1 0 250.302 1.486 20 5 CDBDRO C[NH+](C)[C@@H](CNc1ncccc1[N+](=O)[O-])C1CC1 ZINC000078542656 374316751 /nfs/dbraw/zinc/31/67/51/374316751.db2.gz ACPNHYDUPIAZGC-NSHDSACASA-N 1 0 250.302 1.742 20 5 CDBDRO CCN1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421736933 374327272 /nfs/dbraw/zinc/32/72/72/374327272.db2.gz GNEMMAQNXRTFKX-UHFFFAOYSA-N 1 0 291.351 1.989 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000161614705 374354694 /nfs/dbraw/zinc/35/46/94/374354694.db2.gz IIVOHDHTFZOWET-NXEZZACHSA-N 1 0 263.297 1.595 20 5 CDBDRO COc1cc(C(=O)NCCCC[NH3+])cc([N+](=O)[O-])c1C ZINC000423513934 374388911 /nfs/dbraw/zinc/38/89/11/374388911.db2.gz VVGVUMLDWBMDOU-UHFFFAOYSA-N 1 0 281.312 1.381 20 5 CDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000373440553 374466516 /nfs/dbraw/zinc/46/65/16/374466516.db2.gz OETYYIOPFMVPGF-SMDDNHRTSA-N 1 0 275.308 1.211 20 5 CDBDRO CCOc1cc(C(=O)N(C)CC[NH3+])c([N+](=O)[O-])cc1OC ZINC000424004602 246283448 /nfs/dbraw/zinc/28/34/48/246283448.db2.gz MXDCQRBUJZUESW-UHFFFAOYSA-N 1 0 297.311 1.033 20 5 CDBDRO CC[C@H](NC[C@H](O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000154340801 374697683 /nfs/dbraw/zinc/69/76/83/374697683.db2.gz VUKCWGFDSVDNPU-KBPBESRZSA-N 1 0 281.356 1.558 20 5 CDBDRO COCCC[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000299263490 374654153 /nfs/dbraw/zinc/65/41/53/374654153.db2.gz JACDLQZDRUVFPL-UHFFFAOYSA-N 1 0 268.313 1.942 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000070446821 374662406 /nfs/dbraw/zinc/66/24/06/374662406.db2.gz ASLWMVXGITVJHK-SNVBAGLBSA-N 1 0 285.731 1.961 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000070577325 374665913 /nfs/dbraw/zinc/66/59/13/374665913.db2.gz WOHQWWJBIJCCIJ-STQMWFEESA-N 1 0 291.351 1.771 20 5 CDBDRO Cc1c(C[NH2+][C@@H](CO)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000447920939 374723851 /nfs/dbraw/zinc/72/38/51/374723851.db2.gz YQEQATHKKNNJQC-GXTWGEPZSA-N 1 0 280.324 1.533 20 5 CDBDRO C[C@H]1C[N@H+](CCCNc2ncccc2[N+](=O)[O-])CCCO1 ZINC000278209326 374835201 /nfs/dbraw/zinc/83/52/01/374835201.db2.gz RDFZTQTWZVWDEC-LBPRGKRZSA-N 1 0 294.355 1.903 20 5 CDBDRO C[NH+](C)C1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000332471001 375034332 /nfs/dbraw/zinc/03/43/32/375034332.db2.gz RVEJKQZNXOMCFW-UHFFFAOYSA-N 1 0 282.275 1.512 20 5 CDBDRO Nc1ccc([N+](=O)[O-])c(NCC[N@H+]2CC=CCC2)c1 ZINC000282140336 375066874 /nfs/dbraw/zinc/06/68/74/375066874.db2.gz AUHJLGGIIZFQBT-UHFFFAOYSA-N 1 0 262.313 1.851 20 5 CDBDRO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1O ZINC000283266513 375113257 /nfs/dbraw/zinc/11/32/57/375113257.db2.gz WLAZCQBLSXRQRG-GWCFXTLKSA-N 1 0 268.288 1.937 20 5 CDBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000131225117 375195813 /nfs/dbraw/zinc/19/58/13/375195813.db2.gz XXDJYDWQDKOZSC-UHFFFAOYSA-N 1 0 281.287 1.558 20 5 CDBDRO Cc1nc(N2CC[N@H+](CCO)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000302566502 375217437 /nfs/dbraw/zinc/21/74/37/375217437.db2.gz WOHUHAUPIUDTHK-UHFFFAOYSA-N 1 0 294.355 1.191 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000226519029 375355596 /nfs/dbraw/zinc/35/55/96/375355596.db2.gz OKXYYEQBFASEOM-MRVPVSSYSA-N 1 0 298.318 1.386 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@H](CO)C1 ZINC000304298396 375426581 /nfs/dbraw/zinc/42/65/81/375426581.db2.gz NZOOTXREBVIXDC-VIFPVBQESA-N 1 0 254.261 1.548 20 5 CDBDRO C[C@@H](O)[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000162819113 375525251 /nfs/dbraw/zinc/52/52/51/375525251.db2.gz WDFTUWXHPPYSTH-YPMHNXCESA-N 1 0 264.325 1.840 20 5 CDBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1(CCO)CCOCC1 ZINC000352995800 375561162 /nfs/dbraw/zinc/56/11/62/375561162.db2.gz COZXFJVKPFUSCN-UHFFFAOYSA-N 1 0 294.351 1.958 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000133581653 375802336 /nfs/dbraw/zinc/80/23/36/375802336.db2.gz DYGKSDNJVUKHRG-AAEUAGOBSA-N 1 0 276.340 1.910 20 5 CDBDRO Cc1ccnc(N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000229097513 375842614 /nfs/dbraw/zinc/84/26/14/375842614.db2.gz KABPHWCUEQKZFQ-KOLCDFICSA-N 1 0 264.329 1.719 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000358248951 375957730 /nfs/dbraw/zinc/95/77/30/375957730.db2.gz IQIJVDXEAHNOFK-NXEZZACHSA-N 1 0 286.353 1.679 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NCC(C)(C)C[NH+]1CCCC1 ZINC000357967659 375942854 /nfs/dbraw/zinc/94/28/54/375942854.db2.gz WPLSTHCTMSGBGQ-UHFFFAOYSA-N 1 0 281.360 1.862 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1(C[NH3+])CCC1 ZINC000385538203 376046610 /nfs/dbraw/zinc/04/66/10/376046610.db2.gz VHBAVANPIWIVBF-UHFFFAOYSA-N 1 0 277.324 1.857 20 5 CDBDRO C[C@@H]1[NH2+]CCN(CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000436061293 248219425 /nfs/dbraw/zinc/21/94/25/248219425.db2.gz HARJBNDMPZDPOO-RYUDHWBXSA-N 1 0 279.340 1.656 20 5 CDBDRO O=C(NCC1=CC[NH2+]CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000189293740 377226590 /nfs/dbraw/zinc/22/65/90/377226590.db2.gz XAJIDBFKBMNJDQ-UHFFFAOYSA-N 1 0 295.726 1.898 20 5 CDBDRO C[C@H]1[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000345166586 377404408 /nfs/dbraw/zinc/40/44/08/377404408.db2.gz SQUNEEYHRCNZNN-UWVGGRQHSA-N 1 0 293.327 1.016 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@]2(CCO)CCOC2)c(F)c1 ZINC000447101751 250341072 /nfs/dbraw/zinc/34/10/72/250341072.db2.gz QEOMSBUUDOCIGI-ZDUSSCGKSA-N 1 0 284.287 1.365 20 5 CDBDRO COCCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447507718 250377453 /nfs/dbraw/zinc/37/74/53/250377453.db2.gz INPWAZJPTQPKHR-RYUDHWBXSA-N 1 0 282.344 1.901 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000041028540 379243981 /nfs/dbraw/zinc/24/39/81/379243981.db2.gz WHOPKIZETFPLJJ-SECBINFHSA-N 1 0 283.715 1.812 20 5 CDBDRO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000245959588 379368640 /nfs/dbraw/zinc/36/86/40/379368640.db2.gz UPDWYDZJAYOLCM-VXGBXAGGSA-N 1 0 279.340 1.734 20 5 CDBDRO CNC(=O)CCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449103737 250688977 /nfs/dbraw/zinc/68/89/77/250688977.db2.gz RVBGVVJSMGGBTF-LLVKDONJSA-N 1 0 279.340 1.642 20 5 CDBDRO C[NH+](C)CCO[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000450384627 251256419 /nfs/dbraw/zinc/25/64/19/251256419.db2.gz CAMOYNYCXFCXAA-LBPRGKRZSA-N 1 0 280.328 1.147 20 5 CDBDRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000451589758 251763070 /nfs/dbraw/zinc/76/30/70/251763070.db2.gz ASYPCQXCDCAFDT-AAEUAGOBSA-N 1 0 298.387 1.707 20 5 CDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCC1 ZINC000492189706 253172387 /nfs/dbraw/zinc/17/23/87/253172387.db2.gz JRCFYHDAUXPUDL-DAXSKMNVSA-N 1 0 275.308 1.430 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289286151 197284712 /nfs/dbraw/zinc/28/47/12/197284712.db2.gz QPEKWTYAVXUIDL-ZDUSSCGKSA-N 1 0 295.364 1.872 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c1 ZINC000153329985 533212818 /nfs/dbraw/zinc/21/28/18/533212818.db2.gz CCNKJWGUQYHDQY-UWVGGRQHSA-N 1 0 293.323 1.426 20 5 CDBDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000336817610 390201500 /nfs/dbraw/zinc/20/15/00/390201500.db2.gz QZOYASITDQUHMH-KOLCDFICSA-N 1 0 263.297 1.476 20 5 CDBDRO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000048909445 390465138 /nfs/dbraw/zinc/46/51/38/390465138.db2.gz ZBQWCLFQETZTEB-JTQLQIEISA-N 1 0 264.285 1.420 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])s2)C1 ZINC000450951949 390582987 /nfs/dbraw/zinc/58/29/87/390582987.db2.gz GWMRQCZIPFBSEG-SECBINFHSA-N 1 0 270.358 1.970 20 5 CDBDRO CC(C)(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000106444608 390544258 /nfs/dbraw/zinc/54/42/58/390544258.db2.gz VZNPIFYIYRPJMB-NSHDSACASA-N 1 0 265.313 1.584 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)n1 ZINC000451424967 390618880 /nfs/dbraw/zinc/61/88/80/390618880.db2.gz SYYAZAAFDRUDRI-UPJWGTAASA-N 1 0 294.355 1.417 20 5 CDBDRO CCC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000451442316 390620351 /nfs/dbraw/zinc/62/03/51/390620351.db2.gz VJXCRFJCQSKWOM-QWHCGFSZSA-N 1 0 298.387 1.957 20 5 CDBDRO [NH3+]C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CCCO1 ZINC000415116537 391035794 /nfs/dbraw/zinc/03/57/94/391035794.db2.gz VYKILSYZPBDJGP-BOTMBNHJSA-N 1 0 291.351 1.658 20 5 CDBDRO CC(=O)NCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000121393502 391333680 /nfs/dbraw/zinc/33/36/80/391333680.db2.gz NVDBUGAHBRJGTD-UHFFFAOYSA-N 1 0 265.313 1.553 20 5 CDBDRO C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000294140169 391338548 /nfs/dbraw/zinc/33/85/48/391338548.db2.gz KWLUAHGILJVPDZ-NSHDSACASA-N 1 0 295.339 1.288 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415629397 391469575 /nfs/dbraw/zinc/46/95/75/391469575.db2.gz ICPPPBLHQIUMEP-VIFPVBQESA-N 1 0 282.275 1.560 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415634247 391470144 /nfs/dbraw/zinc/47/01/44/391470144.db2.gz SCPKOTYKELSGRY-RQJHMYQMSA-N 1 0 270.264 1.591 20 5 CDBDRO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC(C)(C)C1 ZINC000343990825 391639065 /nfs/dbraw/zinc/63/90/65/391639065.db2.gz KDTUOBXKTLEZMT-WCQYABFASA-N 1 0 296.371 1.520 20 5 CDBDRO C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000190342870 130092618 /nfs/dbraw/zinc/09/26/18/130092618.db2.gz QIYFIGWYJIMCSQ-BXUZGUMPSA-N 1 0 280.324 1.676 20 5 CDBDRO C[C@@H]1CSCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000190439944 130104612 /nfs/dbraw/zinc/10/46/12/130104612.db2.gz DKFWVERLCHJCKH-JTQLQIEISA-N 1 0 270.358 1.476 20 5 CDBDRO CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000487060942 391868347 /nfs/dbraw/zinc/86/83/47/391868347.db2.gz QPHICNCMIDAXMF-LBPRGKRZSA-N 1 0 264.329 1.766 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357043535 391937446 /nfs/dbraw/zinc/93/74/46/391937446.db2.gz GMHZJUMUNDLYBG-JSGCOSHPSA-N 1 0 275.352 1.945 20 5 CDBDRO CC[C@@]1(O)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000495243681 391908068 /nfs/dbraw/zinc/90/80/68/391908068.db2.gz LTSNISIHTRXUCY-CQSZACIVSA-N 1 0 280.324 1.950 20 5 CDBDRO COC(=O)N1CC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000496746027 391926848 /nfs/dbraw/zinc/92/68/48/391926848.db2.gz QPFFRAPZSRREOP-LBPRGKRZSA-N 1 0 291.307 1.622 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C(F)F ZINC000449176775 392017444 /nfs/dbraw/zinc/01/74/44/392017444.db2.gz ULLKKZMGNZZAAP-KWQFWETISA-N 1 0 274.267 1.741 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000193588608 130635928 /nfs/dbraw/zinc/63/59/28/130635928.db2.gz GUXKPZZPOJSDLQ-KCJUWKMLSA-N 1 0 278.312 1.047 20 5 CDBDRO CC[NH+]1CCC(Nc2ncc([N+](=O)[O-])s2)CC1 ZINC000226770652 130831700 /nfs/dbraw/zinc/83/17/00/130831700.db2.gz LLDKQEVOIZJBDL-UHFFFAOYSA-N 1 0 256.331 1.948 20 5 CDBDRO C[C@](C[NH3+])(NC(=O)CNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000237594433 131045321 /nfs/dbraw/zinc/04/53/21/131045321.db2.gz HAWKUTRDSLQFFH-CQSZACIVSA-N 1 0 292.339 1.250 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000237982587 131071146 /nfs/dbraw/zinc/07/11/46/131071146.db2.gz FHTFFOIBSYKWDQ-SECBINFHSA-N 1 0 283.715 1.350 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261612057 131156097 /nfs/dbraw/zinc/15/60/97/131156097.db2.gz FCRJWOZZSDMRNU-AAEUAGOBSA-N 1 0 289.335 1.727 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261813407 131170801 /nfs/dbraw/zinc/17/08/01/131170801.db2.gz NOTVRNHPOJIFEP-UHFFFAOYSA-N 1 0 278.312 1.139 20 5 CDBDRO Cc1sc(C(=O)NC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000262535236 131230539 /nfs/dbraw/zinc/23/05/39/131230539.db2.gz AQNWUFJCKYCCQF-UHFFFAOYSA-N 1 0 257.315 1.432 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000262912992 131272993 /nfs/dbraw/zinc/27/29/93/131272993.db2.gz YQWUFBRFZYKHBL-ZYHUDNBSSA-N 1 0 277.324 1.252 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCOCC3CC3)CC2)n1 ZINC000488733892 392723237 /nfs/dbraw/zinc/72/32/37/392723237.db2.gz MUCODZODGXZQSM-UHFFFAOYSA-N 1 0 294.355 1.855 20 5 CDBDRO C[NH2+]C[C@@H](C)CNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC000420210058 392904073 /nfs/dbraw/zinc/90/40/73/392904073.db2.gz SDTPHDIQQYVPMJ-SECBINFHSA-N 1 0 295.339 1.957 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000417854910 392874348 /nfs/dbraw/zinc/87/43/48/392874348.db2.gz QOEYJVVMAGFDAH-MWLCHTKSSA-N 1 0 294.355 1.858 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCc3nnnn3CC2)cs1 ZINC000421395433 392935152 /nfs/dbraw/zinc/93/51/52/392935152.db2.gz INYLGSBYYZPJHN-VIFPVBQESA-N 1 0 294.340 1.138 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CC[N@@H+]1C ZINC000525103793 392920897 /nfs/dbraw/zinc/92/08/97/392920897.db2.gz QXIMAYQOKBCRQL-VHSXEESVSA-N 1 0 280.328 1.146 20 5 CDBDRO C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000269205927 132131467 /nfs/dbraw/zinc/13/14/67/132131467.db2.gz LURPHDZODWPXDD-FZMZJTMJSA-N 1 0 291.351 1.723 20 5 CDBDRO Cc1c(CC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000423575827 392963725 /nfs/dbraw/zinc/96/37/25/392963725.db2.gz YZVWXIKAAMMYGP-GWCFXTLKSA-N 1 0 291.351 1.560 20 5 CDBDRO Cc1c(CC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000423622901 392965776 /nfs/dbraw/zinc/96/57/76/392965776.db2.gz ZQHIYMANGSLCDJ-NEPJUHHUSA-N 1 0 291.351 1.655 20 5 CDBDRO CC[C@]1(O)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000425924686 393031328 /nfs/dbraw/zinc/03/13/28/393031328.db2.gz VZAKYEIAQVTIQD-AWEZNQCLSA-N 1 0 280.324 1.820 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@](C)(O)C1 ZINC000430197334 393090311 /nfs/dbraw/zinc/09/03/11/393090311.db2.gz UVAVMBYLHNZCDQ-ZDUSSCGKSA-N 1 0 266.297 1.560 20 5 CDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C[NH3+])C1 ZINC000430965398 393107327 /nfs/dbraw/zinc/10/73/27/393107327.db2.gz LEUPPNULZNMIDY-QWRGUYRKSA-N 1 0 292.339 1.202 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000449595133 393135588 /nfs/dbraw/zinc/13/55/88/393135588.db2.gz ZYQLMOMITYQMAK-HTQZYQBOSA-N 1 0 285.731 1.643 20 5 CDBDRO Cc1cccc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)c1[N+](=O)[O-] ZINC000449658745 393137560 /nfs/dbraw/zinc/13/75/60/393137560.db2.gz UHJIXYCZECZMKZ-JTQLQIEISA-N 1 0 299.277 1.630 20 5 CDBDRO Cc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000278846460 393143801 /nfs/dbraw/zinc/14/38/01/393143801.db2.gz WUAXZNZXKMCFAB-PHIMTYICSA-N 1 0 262.313 1.296 20 5 CDBDRO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCC[C@H]1C ZINC000487981019 393378377 /nfs/dbraw/zinc/37/83/77/393378377.db2.gz MRPSUOAQUSEDKH-OLZOCXBDSA-N 1 0 296.371 1.928 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+](C)C)c1 ZINC000072035982 139642642 /nfs/dbraw/zinc/64/26/42/139642642.db2.gz SMVAAUVXUMHDKE-UHFFFAOYSA-N 1 0 281.312 1.285 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000089108771 139669536 /nfs/dbraw/zinc/66/95/36/139669536.db2.gz BGQHQUZBMYNYOJ-GXSJLCMTSA-N 1 0 250.302 1.919 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000131963118 139846392 /nfs/dbraw/zinc/84/63/92/139846392.db2.gz MAVJTFZWQKKJJD-MNOVXSKESA-N 1 0 277.324 1.713 20 5 CDBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000185587116 140043687 /nfs/dbraw/zinc/04/36/87/140043687.db2.gz CHYWFAMWGGLKNO-KGYLQXTDSA-N 1 0 282.344 1.273 20 5 CDBDRO Cc1c(CNCc2cn(C)nn2)cccc1[N+](=O)[O-] ZINC000231884270 140220364 /nfs/dbraw/zinc/22/03/64/140220364.db2.gz GBVAQZLSJJPWFN-UHFFFAOYSA-N 1 0 261.285 1.322 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000235356913 140234967 /nfs/dbraw/zinc/23/49/67/140234967.db2.gz GIUTXVGZFMQIBM-SKDRFNHKSA-N 1 0 263.297 1.322 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000261572595 140351900 /nfs/dbraw/zinc/35/19/00/140351900.db2.gz LTAWCRWWFWHAJR-SECBINFHSA-N 1 0 253.277 1.528 20 5 CDBDRO COc1cccc(N2CC[C@@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC000261591525 140358533 /nfs/dbraw/zinc/35/85/33/140358533.db2.gz LZHNAEIMHLZAOX-ZDUSSCGKSA-N 1 0 265.313 1.779 20 5 CDBDRO CCC[NH2+]CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000261658252 140370663 /nfs/dbraw/zinc/37/06/63/140370663.db2.gz NLDLASYYOPPXBH-UHFFFAOYSA-N 1 0 295.339 1.480 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000262793853 140431126 /nfs/dbraw/zinc/43/11/26/140431126.db2.gz DKVYDGOYQBHHAT-IUCAKERBSA-N 1 0 295.343 1.141 20 5 CDBDRO C[C@@]1(CNc2ccc([N+](=O)[O-])cn2)CCC[NH2+]C1 ZINC000129295304 147620960 /nfs/dbraw/zinc/62/09/60/147620960.db2.gz ONJVPNAVVKZVAQ-GFCCVEGCSA-N 1 0 250.302 1.791 20 5 CDBDRO Cc1ccc(N2CC[N@H+](CCO)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000302521270 292134590 /nfs/dbraw/zinc/13/45/90/292134590.db2.gz ISOLQGVRJQGVGI-UHFFFAOYSA-N 1 0 293.367 1.796 20 5 CDBDRO C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094342108 147084032 /nfs/dbraw/zinc/08/40/32/147084032.db2.gz QISNQWFADVFCID-SKDRFNHKSA-N 1 0 267.304 1.903 20 5 CDBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176240485 148030869 /nfs/dbraw/zinc/03/08/69/148030869.db2.gz XQDSIUAUDVHZIQ-VXGBXAGGSA-N 1 0 282.344 1.417 20 5 CDBDRO CCn1cc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000181445562 148201107 /nfs/dbraw/zinc/20/11/07/148201107.db2.gz UDTVCZHIYAKFHZ-SNVBAGLBSA-N 1 0 278.316 1.359 20 5 CDBDRO O=C(C[C@@H]1CCC[NH2+]1)NCCc1ccccc1[N+](=O)[O-] ZINC000262406386 149059519 /nfs/dbraw/zinc/05/95/19/149059519.db2.gz OQHOYIRYQCZVKR-LBPRGKRZSA-N 1 0 277.324 1.396 20 5 CDBDRO [NH3+][C@H](CC(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000311019150 149207620 /nfs/dbraw/zinc/20/76/20/149207620.db2.gz NSVWESGIRPDGCM-MRVPVSSYSA-N 1 0 259.212 1.516 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H]([NH3+])C1 ZINC000346091624 153049784 /nfs/dbraw/zinc/04/97/84/153049784.db2.gz MHRRNPAXLWCZSW-LLVKDONJSA-N 1 0 292.339 1.265 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+](C)C ZINC000346183414 153088068 /nfs/dbraw/zinc/08/80/68/153088068.db2.gz CVZBHKDVDBNSFH-SECBINFHSA-N 1 0 281.312 1.283 20 5 CDBDRO C[C@@H]1[NH2+]CCN(Cc2csc([N+](=O)[O-])c2)[C@H]1C ZINC000346633516 153250669 /nfs/dbraw/zinc/25/06/69/153250669.db2.gz FCQIEWMEQBMYMW-IUCAKERBSA-N 1 0 255.343 1.839 20 5 CDBDRO Cn1c(C(=O)N2CCC[C@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000347039478 153389120 /nfs/dbraw/zinc/38/91/20/153389120.db2.gz HCTMXRDUNRVWFL-NSHDSACASA-N 1 0 294.355 1.490 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@H]2C[NH+](C)C[C@@H]2C1 ZINC000358918570 158071933 /nfs/dbraw/zinc/07/19/33/158071933.db2.gz YMJBDJFAANCYIU-GHMZBOCLSA-N 1 0 279.344 1.117 20 5 CDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000359200259 158160990 /nfs/dbraw/zinc/16/09/90/158160990.db2.gz ALPLFBGXFCRADO-JTQLQIEISA-N 1 0 283.353 1.870 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](C3CCOCC3)C2)c1 ZINC000361955650 159023980 /nfs/dbraw/zinc/02/39/80/159023980.db2.gz UGWSRDWOFAAHHR-ZDUSSCGKSA-N 1 0 294.355 1.540 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000362446623 159150818 /nfs/dbraw/zinc/15/08/18/159150818.db2.gz IVDNAZICKNRTNR-GHMZBOCLSA-N 1 0 280.328 1.329 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[C@@H]1[NH+](C)C ZINC000362681013 159212314 /nfs/dbraw/zinc/21/23/14/159212314.db2.gz LZMSYYPCQZGCIY-IUCAKERBSA-N 1 0 253.306 1.223 20 5 CDBDRO O=[N+]([O-])c1ccn(CCN2CCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000368405268 159643052 /nfs/dbraw/zinc/64/30/52/159643052.db2.gz QPVAUPRDYMYEDB-CYBMUJFWSA-N 1 0 293.371 1.352 20 5 CDBDRO Cc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000019477459 170808308 /nfs/dbraw/zinc/80/83/08/170808308.db2.gz BYZBKOJJZIJTFJ-JTQLQIEISA-N 1 0 263.297 1.841 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](C[NH3+])C1 ZINC000044529420 175193827 /nfs/dbraw/zinc/19/38/27/175193827.db2.gz ZGZPOPWZJISNRI-NSHDSACASA-N 1 0 279.340 1.774 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCN(C3CC3)C2)c1 ZINC000044685239 175231310 /nfs/dbraw/zinc/23/13/10/175231310.db2.gz NCCXXPYLBLXXLX-GFCCVEGCSA-N 1 0 261.325 1.921 20 5 CDBDRO CN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000071310209 176117294 /nfs/dbraw/zinc/11/72/94/176117294.db2.gz WBKAARPGALQBLH-NSHDSACASA-N 1 0 264.285 1.420 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCC[NH2+]C1 ZINC000071397175 176150836 /nfs/dbraw/zinc/15/08/36/176150836.db2.gz OTUDQCULCHBGBW-NSHDSACASA-N 1 0 263.297 1.006 20 5 CDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]C1 ZINC000071397182 176150949 /nfs/dbraw/zinc/15/09/49/176150949.db2.gz ALNPZNLBRQNNEM-ABZNLYFFSA-N 1 0 275.308 1.476 20 5 CDBDRO CCOC(=O)c1ccnc(NCC[N@H+](C)CC)c1[N+](=O)[O-] ZINC000077935909 177311715 /nfs/dbraw/zinc/31/17/15/177311715.db2.gz OSEGQLGCYADCDQ-UHFFFAOYSA-N 1 0 296.327 1.530 20 5 CDBDRO Cc1ccnc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000078835327 177396032 /nfs/dbraw/zinc/39/60/32/177396032.db2.gz ZELXOTZYJFOEAR-NEPJUHHUSA-N 1 0 292.339 1.573 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[NH2+]CCN1C ZINC000394717254 270338707 /nfs/dbraw/zinc/33/87/07/270338707.db2.gz ABIFZPSJVSVNFL-LBPRGKRZSA-N 1 0 264.329 1.219 20 5 CDBDRO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC000273976836 274395161 /nfs/dbraw/zinc/39/51/61/274395161.db2.gz PZYLEYFFJMPLTE-RKDXNWHRSA-N 1 0 263.301 1.422 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N[C@H]3CC[NH2+]C3)c21 ZINC000420150537 275039858 /nfs/dbraw/zinc/03/98/58/275039858.db2.gz KTTLHPVDVDYPGQ-QMMMGPOBSA-N 1 0 259.269 1.312 20 5 CDBDRO CC[N@H+](CCNC(=O)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000263694981 276125618 /nfs/dbraw/zinc/12/56/18/276125618.db2.gz HQFWWGRYWFHFGO-UHFFFAOYSA-N 1 0 291.351 1.738 20 5 CDBDRO CCc1ccc(C(=O)N2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000237135899 276665927 /nfs/dbraw/zinc/66/59/27/276665927.db2.gz GJSDFCRDPCHQGN-UHFFFAOYSA-N 1 0 277.324 1.593 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC([C@H](C)[NH3+])CC1 ZINC000091558637 276722000 /nfs/dbraw/zinc/72/20/00/276722000.db2.gz KROCRFGUZCOSEF-VIFPVBQESA-N 1 0 281.360 1.683 20 5 CDBDRO CO[C@@](C)([C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000411935211 277698940 /nfs/dbraw/zinc/69/89/40/277698940.db2.gz BCOXPROINYRMPB-MFKMUULPSA-N 1 0 282.344 1.585 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(CO)CC1 ZINC000449226547 278298509 /nfs/dbraw/zinc/29/85/09/278298509.db2.gz XXZKTAFZZBACGZ-JTQLQIEISA-N 1 0 250.298 1.640 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[S@](C)=O ZINC000449160013 278298597 /nfs/dbraw/zinc/29/85/97/278298597.db2.gz KGBHXUXYDYRTMY-WLRWDXFRSA-N 1 0 284.381 1.884 20 5 CDBDRO C[C@@](CN)([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000430599109 279149095 /nfs/dbraw/zinc/14/90/95/279149095.db2.gz UYIAIGLRFJUOQH-AWEZNQCLSA-N 1 0 263.341 1.854 20 5 CDBDRO CC(C)CCO[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000083246915 279247609 /nfs/dbraw/zinc/24/76/09/279247609.db2.gz FOXHBEBDICTVEO-CQSZACIVSA-N 1 0 296.371 1.928 20 5 CDBDRO C[C@H](CO)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000129300391 279360446 /nfs/dbraw/zinc/36/04/46/279360446.db2.gz FLEZULKLSAHEEN-MFKMUULPSA-N 1 0 264.325 1.886 20 5 CDBDRO C[C@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000261821224 279710395 /nfs/dbraw/zinc/71/03/95/279710395.db2.gz OCZBDRNOGLHECE-ONGXEEELSA-N 1 0 292.339 1.376 20 5 CDBDRO C[C@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000213976107 280087436 /nfs/dbraw/zinc/08/74/36/280087436.db2.gz SWVDKEQGPUBDPH-GZTOBOFZSA-N 1 0 275.308 1.428 20 5 CDBDRO [NH3+]CCCCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000238041225 280197756 /nfs/dbraw/zinc/19/77/56/280197756.db2.gz LXEKWHSIABVSFC-GQCTYLIASA-N 1 0 281.287 1.602 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000238061246 280197997 /nfs/dbraw/zinc/19/79/97/280197997.db2.gz BYLTUWNFPAGZOD-NSHDSACASA-N 1 0 292.339 1.204 20 5 CDBDRO Cc1cc(C(=O)N2CCC[N@@H+](C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000122315979 280324533 /nfs/dbraw/zinc/32/45/33/280324533.db2.gz LFHLDKKKZWBZMG-UHFFFAOYSA-N 1 0 292.339 1.263 20 5 CDBDRO Cc1cc(C(=O)NCC[C@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000166672880 280349214 /nfs/dbraw/zinc/34/92/14/280349214.db2.gz AIRHNSKOSRKONR-GFCCVEGCSA-N 1 0 277.324 1.775 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C[C@@H](C)O)[C@H](C)CO ZINC000248889874 280391309 /nfs/dbraw/zinc/39/13/09/280391309.db2.gz FPVMGGDKKQDSJX-GHMZBOCLSA-N 1 0 298.339 1.167 20 5 CDBDRO Cc1cnc(N2CC[C@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000266230544 280542247 /nfs/dbraw/zinc/54/22/47/280542247.db2.gz UEJKELAUNCMNMD-LBPRGKRZSA-N 1 0 274.324 1.749 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C)C[NH+](C)C ZINC000291867117 281598035 /nfs/dbraw/zinc/59/80/35/281598035.db2.gz NGTASMODKZVFAF-VIFPVBQESA-N 1 0 269.349 1.729 20 5 CDBDRO CCc1nn(C)c(N(C)CC(C)(C)C[NH3+])c1[N+](=O)[O-] ZINC000093874747 288647342 /nfs/dbraw/zinc/64/73/42/288647342.db2.gz YPIROXADAFIVFH-UHFFFAOYSA-N 1 0 269.349 1.312 20 5 CDBDRO CC1(C)CCC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000149833414 289070036 /nfs/dbraw/zinc/07/00/36/289070036.db2.gz NQVYZCXYISIPSJ-YPMHNXCESA-N 1 0 296.371 1.711 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](CO)C2CCCCC2)n1 ZINC000541053362 289481183 /nfs/dbraw/zinc/48/11/83/289481183.db2.gz FINWODYCEIACQU-LBPRGKRZSA-N 1 0 282.344 1.322 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000558032957 290378652 /nfs/dbraw/zinc/37/86/52/290378652.db2.gz LFNWBBCNFFCLGU-CQSZACIVSA-N 1 0 292.339 1.101 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000563146021 293290035 /nfs/dbraw/zinc/29/00/35/293290035.db2.gz ILVYAEKGIHVBNO-SNVBAGLBSA-N 1 0 292.339 1.249 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)N(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000564552880 293370834 /nfs/dbraw/zinc/37/08/34/293370834.db2.gz XMNFXSKEXCQSED-LLVKDONJSA-N 1 0 294.355 1.954 20 5 CDBDRO Cc1sc(C(=O)N2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237696089 294070069 /nfs/dbraw/zinc/07/00/69/294070069.db2.gz OBHJWOFLOWOTIE-VIFPVBQESA-N 1 0 283.353 1.918 20 5 CDBDRO CNc1ccc(C(=O)NC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000568864564 294113193 /nfs/dbraw/zinc/11/31/93/294113193.db2.gz WQCSLKHBXRSWSB-JTQLQIEISA-N 1 0 278.312 1.104 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)n1 ZINC000574914382 295076275 /nfs/dbraw/zinc/07/62/75/295076275.db2.gz MKNJMAHHTPXZHW-OLZOCXBDSA-N 1 0 294.355 1.682 20 5 CDBDRO C[C@H](CC(N)=O)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449184378 298351740 /nfs/dbraw/zinc/35/17/40/298351740.db2.gz HNUBECPEQUBIAO-VHSXEESVSA-N 1 0 265.313 1.379 20 5 CDBDRO C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000563716946 316360895 /nfs/dbraw/zinc/36/08/95/316360895.db2.gz RKOISJDSASBYRX-ZJUUUORDSA-N 1 0 292.339 1.295 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000577652295 317378646 /nfs/dbraw/zinc/37/86/46/317378646.db2.gz HCVLIUJPSCTRRS-ZJUUUORDSA-N 1 0 281.360 1.648 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000577652291 317378672 /nfs/dbraw/zinc/37/86/72/317378672.db2.gz HCVLIUJPSCTRRS-NXEZZACHSA-N 1 0 281.360 1.648 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000577740936 317393847 /nfs/dbraw/zinc/39/38/47/317393847.db2.gz HSTPHYYXPCCAPO-SECBINFHSA-N 1 0 279.296 1.037 20 5 CDBDRO COc1ccc(C[NH2+]CCN2CCOCC2)cc1[N+](=O)[O-] ZINC000020557069 323206961 /nfs/dbraw/zinc/20/69/61/323206961.db2.gz LAQZKZXXDZVSRH-UHFFFAOYSA-N 1 0 295.339 1.025 20 5 CDBDRO Cc1nc(N[C@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000382409637 323639229 /nfs/dbraw/zinc/63/92/29/323639229.db2.gz DAIOBTRBPOHIQH-ZJUUUORDSA-N 1 0 250.302 1.980 20 5 CDBDRO CN(C(=O)Cc1ccccc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000385436462 323707475 /nfs/dbraw/zinc/70/74/75/323707475.db2.gz GGMCGOYTRZKURT-UHFFFAOYSA-N 1 0 277.324 1.477 20 5 CDBDRO COc1ccc(OCC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000396631691 323855105 /nfs/dbraw/zinc/85/51/05/323855105.db2.gz GAQPIUFPVQXRDM-SNVBAGLBSA-N 1 0 266.297 1.982 20 5 CDBDRO CC(C)[C@]1(C)C[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000397150301 323861391 /nfs/dbraw/zinc/86/13/91/323861391.db2.gz LRKZBACJXQTOTM-AVGNSLFASA-N 1 0 282.344 1.176 20 5 CDBDRO COc1cc(C(=O)N[C@H](C)C[C@H](C)[NH3+])cc([N+](=O)[O-])c1C ZINC000579356781 324166529 /nfs/dbraw/zinc/16/65/29/324166529.db2.gz OKCWNMCWLBLGPW-DTWKUNHWSA-N 1 0 295.339 1.767 20 5 CDBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)O ZINC000579952512 324324446 /nfs/dbraw/zinc/32/44/46/324324446.db2.gz FNBGEOMDUSDKBG-GHMZBOCLSA-N 1 0 295.339 1.672 20 5 CDBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N(C)C ZINC000584241960 327125615 /nfs/dbraw/zinc/12/56/15/327125615.db2.gz BFQPLCLYULBSKX-CABZTGNLSA-N 1 0 277.324 1.648 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000036281765 329506336 /nfs/dbraw/zinc/50/63/36/329506336.db2.gz RZKBJVIFGYVABD-UHFFFAOYSA-N 1 0 251.286 1.324 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC001122209144 1161130568 /nfs/dbraw/zinc/13/05/68/1161130568.db2.gz BJGJBHOHUYVVEB-RYUDHWBXSA-N 1 0 291.351 1.960 20 5 CDBDRO CC(C)(C(=O)N[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000269124786 534365727 /nfs/dbraw/zinc/36/57/27/534365727.db2.gz CBQXYFSDGZEXFZ-LLVKDONJSA-N 1 0 277.324 1.351 20 5 CDBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000236619380 519817751 /nfs/dbraw/zinc/81/77/51/519817751.db2.gz WGVVDOUTZGSETN-LLVKDONJSA-N 1 0 294.355 1.622 20 5 CDBDRO CCOCC[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182382109 519904278 /nfs/dbraw/zinc/90/42/78/519904278.db2.gz IGKBPGMDTNNYPW-LBPRGKRZSA-N 1 0 298.339 1.303 20 5 CDBDRO CC[N@H+](CCO)CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000184589941 521106980 /nfs/dbraw/zinc/10/69/80/521106980.db2.gz KCMOSATXFBXNQJ-UHFFFAOYSA-N 1 0 296.327 1.031 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000053202401 522382804 /nfs/dbraw/zinc/38/28/04/522382804.db2.gz IFQAZZYXJPEKBR-MRVPVSSYSA-N 1 0 253.258 1.012 20 5 CDBDRO COC(=O)[C@@H](C)C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000338422704 523501706 /nfs/dbraw/zinc/50/17/06/523501706.db2.gz RDUJXKJOYDQLJT-NSHDSACASA-N 1 0 296.323 1.715 20 5 CDBDRO C[NH+]1CCC(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000050709801 523763784 /nfs/dbraw/zinc/76/37/84/523763784.db2.gz MYKLDUHLOYHQRD-UHFFFAOYSA-N 1 0 292.339 1.249 20 5 CDBDRO C[NH+](C)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000157336871 524039283 /nfs/dbraw/zinc/03/92/83/524039283.db2.gz NHXCIGORBUVIRE-UHFFFAOYSA-N 1 0 292.339 1.343 20 5 CDBDRO C[NH+](C)CC1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCCC1 ZINC000353323498 524047531 /nfs/dbraw/zinc/04/75/31/524047531.db2.gz ZMEUMWDKYCGTKD-UHFFFAOYSA-N 1 0 294.355 1.775 20 5 CDBDRO C[C@H](Cn1cccn1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000035272179 524779687 /nfs/dbraw/zinc/77/96/87/524779687.db2.gz MGMYKUYNAZWSFU-LLVKDONJSA-N 1 0 260.297 1.970 20 5 CDBDRO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000186826343 524957998 /nfs/dbraw/zinc/95/79/98/524957998.db2.gz KXYDZGSUYFLPRT-YPMHNXCESA-N 1 0 280.324 1.676 20 5 CDBDRO C[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000245468012 525448210 /nfs/dbraw/zinc/44/82/10/525448210.db2.gz STJIMPVXQHVUOG-CHWSQXEVSA-N 1 0 293.367 1.966 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2(CO)CCCC2)cc1 ZINC000053069225 527372790 /nfs/dbraw/zinc/37/27/90/527372790.db2.gz JTKAVZFQHJMUEJ-UHFFFAOYSA-N 1 0 280.324 1.868 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000423984673 535427369 /nfs/dbraw/zinc/42/73/69/535427369.db2.gz UQICAFPQAUWRRN-BXKDBHETSA-N 1 0 293.323 1.413 20 5 CDBDRO CC[NH2+]CCNC(=O)c1cc(OCC)ccc1[N+](=O)[O-] ZINC000422792791 535476125 /nfs/dbraw/zinc/47/61/25/535476125.db2.gz WLTIWLCNBNKQKJ-UHFFFAOYSA-N 1 0 281.312 1.333 20 5 CDBDRO C[NH2+]CCc1nc(-c2cc([N+](=O)[O-])c[nH]2)cs1 ZINC000434658660 536447198 /nfs/dbraw/zinc/44/71/98/536447198.db2.gz HFMVCSOODREVHR-UHFFFAOYSA-N 1 0 252.299 1.808 20 5 CDBDRO COc1ccc(CNC(=O)C[NH2+]CC2CC2)cc1[N+](=O)[O-] ZINC000269240291 536872525 /nfs/dbraw/zinc/87/25/25/536872525.db2.gz HTZXSMSKFXUKNB-UHFFFAOYSA-N 1 0 293.323 1.219 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000261929728 536949731 /nfs/dbraw/zinc/94/97/31/536949731.db2.gz JLNWUFZBGTVNGK-UWVGGRQHSA-N 1 0 293.323 1.413 20 5 CDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000744347727 574445946 /nfs/dbraw/zinc/44/59/46/574445946.db2.gz CHLAKWBSZJPFLJ-VIFPVBQESA-N 1 0 283.353 1.870 20 5 CDBDRO COC[C@](C)([NH3+])CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000733895836 575144996 /nfs/dbraw/zinc/14/49/96/575144996.db2.gz NIXOLUCKOBZGMP-GFCCVEGCSA-N 1 0 296.352 1.980 20 5 CDBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H](CCO)C3CC3)nc2c1 ZINC000771797303 575611764 /nfs/dbraw/zinc/61/17/64/575611764.db2.gz YMMGDEFOQKBYNY-NSHDSACASA-N 1 0 291.307 1.987 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CCO)C2CC2)c1 ZINC000771807449 575615841 /nfs/dbraw/zinc/61/58/41/575615841.db2.gz ZMWJYYDIGBODEG-ZIAGYGMSSA-N 1 0 280.324 1.379 20 5 CDBDRO CC[NH+](CC)CCOC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000772052504 575655651 /nfs/dbraw/zinc/65/56/51/575655651.db2.gz MPYITWMFARBLHY-UHFFFAOYSA-N 1 0 298.343 1.375 20 5 CDBDRO C[C@H]1CCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cn1 ZINC000760552833 576492969 /nfs/dbraw/zinc/49/29/69/576492969.db2.gz ROXFVZSOVQEDHD-VIFPVBQESA-N 1 0 251.290 1.281 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C)[C@H](C)C1 ZINC000761078522 576544284 /nfs/dbraw/zinc/54/42/84/576544284.db2.gz XCMCSMQTSXFAFX-LLVKDONJSA-N 1 0 279.340 1.739 20 5 CDBDRO Cc1cc(C(=O)NCC[NH+]2CCCC2)c(N)c([N+](=O)[O-])c1 ZINC000749335858 576943662 /nfs/dbraw/zinc/94/36/62/576943662.db2.gz SEIFXNNSBZVOPV-UHFFFAOYSA-N 1 0 292.339 1.311 20 5 CDBDRO CC[N@H+](CCOC)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749942881 576969064 /nfs/dbraw/zinc/96/90/64/576969064.db2.gz CYTOBJIBPZFGDP-UHFFFAOYSA-N 1 0 293.327 1.574 20 5 CDBDRO Cc1c(C[NH2+][C@@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000035648624 617423344 /nfs/dbraw/zinc/42/33/44/617423344.db2.gz RDCVFXNVNTWPQH-LLVKDONJSA-N 1 0 284.337 1.180 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@H](C)[NH+](C)C ZINC000892031796 617425570 /nfs/dbraw/zinc/42/55/70/617425570.db2.gz OOEVUOAVKPXVGZ-QMMMGPOBSA-N 1 0 254.290 1.360 20 5 CDBDRO CC[C@H]1C[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C[C@@H]1O ZINC000892242006 617573148 /nfs/dbraw/zinc/57/31/48/617573148.db2.gz NNMDJMRLVZPLKZ-CABZTGNLSA-N 1 0 296.323 1.512 20 5 CDBDRO C[C@H](C[NH+]1CCCCC1)Nc1c([N+](=O)[O-])cnn1C ZINC000891792781 617593196 /nfs/dbraw/zinc/59/31/96/617593196.db2.gz LUFPFAPTKJSYAV-SNVBAGLBSA-N 1 0 267.333 1.615 20 5 CDBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000891871155 617697092 /nfs/dbraw/zinc/69/70/92/617697092.db2.gz UYZRFNNGJUKYKO-SECBINFHSA-N 1 0 282.296 1.123 20 5 CDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]1CO ZINC000934022950 617861947 /nfs/dbraw/zinc/86/19/47/617861947.db2.gz BJTBVYMUKFRBQA-CYBMUJFWSA-N 1 0 280.324 1.949 20 5 CDBDRO CCCC[N@H+](C)C[C@H](C)Nc1c([N+](=O)[O-])cnn1C ZINC000893893611 618165100 /nfs/dbraw/zinc/16/51/00/618165100.db2.gz BJAIDXWKBBHFKT-JTQLQIEISA-N 1 0 269.349 1.861 20 5 CDBDRO Cc1cnc(N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000893941784 618204892 /nfs/dbraw/zinc/20/48/92/618204892.db2.gz WJLWHXJKOVEHGG-PWSUYJOCSA-N 1 0 262.313 1.439 20 5 CDBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CC[C@H](C)O2)c1[N+](=O)[O-] ZINC000894815951 619072318 /nfs/dbraw/zinc/07/23/18/619072318.db2.gz BUAOGNMFFGQGLH-ONGXEEELSA-N 1 0 296.323 1.966 20 5 CDBDRO Cc1cc(OCC(=O)OCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000792280162 619074287 /nfs/dbraw/zinc/07/42/87/619074287.db2.gz HASZHIUKMCVZPG-UHFFFAOYSA-N 1 0 296.323 1.777 20 5 CDBDRO CCC[C@H]1CN(c2cccnc2[N+](=O)[O-])CC[NH2+]1 ZINC000895059101 619244423 /nfs/dbraw/zinc/24/44/23/619244423.db2.gz RFKXMHCIYVXOQV-JTQLQIEISA-N 1 0 250.302 1.568 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000895245343 619487118 /nfs/dbraw/zinc/48/71/18/619487118.db2.gz FTPRLVFXACJEAC-DOMZBBRYSA-N 1 0 292.383 1.949 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000899871114 622497265 /nfs/dbraw/zinc/49/72/65/622497265.db2.gz OFFGJALLMXKYDJ-UHFFFAOYSA-N 1 0 278.230 1.994 20 5 CDBDRO O=[N+]([O-])CC[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000899876893 622500855 /nfs/dbraw/zinc/50/08/55/622500855.db2.gz VHQQESNLCMFYGT-UHFFFAOYSA-N 1 0 264.260 1.378 20 5 CDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(N)CC1 ZINC000902418745 624783657 /nfs/dbraw/zinc/78/36/57/624783657.db2.gz ZHMRCJCPEIFKLQ-NSHDSACASA-N 1 0 263.341 1.997 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H]1CCN1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903317840 625970551 /nfs/dbraw/zinc/97/05/51/625970551.db2.gz NLNMOEQHSMLWDH-KOLCDFICSA-N 1 0 264.329 1.532 20 5 CDBDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905204141 626689927 /nfs/dbraw/zinc/68/99/27/626689927.db2.gz YALFJFUIPJTIOC-CABZTGNLSA-N 1 0 256.277 1.768 20 5 CDBDRO C[C@H]1CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000905971442 627061222 /nfs/dbraw/zinc/06/12/22/627061222.db2.gz BKIQQPBIZSJTCQ-CMPLNLGQSA-N 1 0 266.297 1.429 20 5 CDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]C1 ZINC000911673051 629384175 /nfs/dbraw/zinc/38/41/75/629384175.db2.gz JIINMVDFAOLSDZ-GFCCVEGCSA-N 1 0 295.314 1.535 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000911655262 629401050 /nfs/dbraw/zinc/40/10/50/629401050.db2.gz FXRQJDOIQHRXNX-VIFPVBQESA-N 1 0 295.364 1.751 20 5 CDBDRO CC(C)(CCC(=O)NCC[N@@H+]1CCCC1(C)C)[N+](=O)[O-] ZINC000837175013 631788298 /nfs/dbraw/zinc/78/82/98/631788298.db2.gz MCKOFRCRAKYOPE-UHFFFAOYSA-N 1 0 285.388 1.813 20 5 CDBDRO C[NH+](C)CCCOC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000919678158 632654095 /nfs/dbraw/zinc/65/40/95/632654095.db2.gz NTFDVYCJMLJXCX-UHFFFAOYSA-N 1 0 270.260 1.842 20 5 CDBDRO CCNC(=O)C[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170297986 1162328762 /nfs/dbraw/zinc/32/87/62/1162328762.db2.gz XRRULZOOSKGKRJ-JTQLQIEISA-N 1 0 295.339 1.260 20 5 CDBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cccnc2[N+](=O)[O-])O1 ZINC001170278258 1162331141 /nfs/dbraw/zinc/33/11/41/1162331141.db2.gz VYIOMMWYZVUPGK-NQBHXWOUSA-N 1 0 296.327 1.127 20 5 CDBDRO COc1ccc(C[C@H](C)NC2(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001170327478 1162337534 /nfs/dbraw/zinc/33/75/34/1162337534.db2.gz SBYVBUVRBNDSCV-JTQLQIEISA-N 1 0 279.340 1.615 20 5 CDBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC001170334540 1162338089 /nfs/dbraw/zinc/33/80/89/1162338089.db2.gz GOZPWXKGEVUOKY-AAEUAGOBSA-N 1 0 294.351 1.991 20 5 CDBDRO COc1ccc(C[C@@H](C)[N@@H+]2C[C@H](O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170329770 1162338468 /nfs/dbraw/zinc/33/84/68/1162338468.db2.gz UCAOFXHAQCPGSH-NQBHXWOUSA-N 1 0 294.351 1.990 20 5 CDBDRO COc1cc([N+](=O)[O-])c(NCCN(C)CC[NH3+])cc1F ZINC001170502851 1162662281 /nfs/dbraw/zinc/66/22/81/1162662281.db2.gz QURQRGUPDMXUNW-UHFFFAOYSA-N 1 0 286.307 1.045 20 5 CDBDRO CCOc1cc(NCCN(C)CC[NH3+])ccc1[N+](=O)[O-] ZINC001170505561 1162670290 /nfs/dbraw/zinc/67/02/90/1162670290.db2.gz XFMBMORKMZYPSW-UHFFFAOYSA-N 1 0 282.344 1.296 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC001122209145 1161130459 /nfs/dbraw/zinc/13/04/59/1161130459.db2.gz BJGJBHOHUYVVEB-VXGBXAGGSA-N 1 0 291.351 1.960 20 5 CDBDRO [NH3+]Cc1nnnn1-c1nc2ccccc2c2ccccc21 ZINC001168923229 1161993037 /nfs/dbraw/zinc/99/30/37/1161993037.db2.gz IKOKAKRZKLFSNC-UHFFFAOYSA-N 1 0 276.303 1.822 20 5 CDBDRO COC(=O)c1ccc(C[NH3+])n1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168999014 1161996708 /nfs/dbraw/zinc/99/67/08/1161996708.db2.gz QZSAAIFBALEWQR-UWVGGRQHSA-N 1 0 281.312 1.351 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cnn(CCF)c2)C1 ZINC001168998612 1161997014 /nfs/dbraw/zinc/99/70/14/1161997014.db2.gz PAHKWSRGJUVHRU-JQWIXIFHSA-N 1 0 270.308 1.388 20 5 CDBDRO CC(C)(C)N1CC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168998245 1161997091 /nfs/dbraw/zinc/99/70/91/1161997091.db2.gz KLZXPUPNBVJZDM-QWRGUYRKSA-N 1 0 255.362 1.504 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CO[C@@H]1CCC[NH2+]C1 ZINC000051787237 1166744416 /nfs/dbraw/zinc/74/44/16/1166744416.db2.gz LCPLPFGULNLHGO-GFCCVEGCSA-N 1 0 266.297 1.872 20 5 CDBDRO Cc1nc(N2C[C@H]([NH3+])Cc3ccccc32)ncc1[N+](=O)[O-] ZINC001155307424 1167123073 /nfs/dbraw/zinc/12/30/73/1167123073.db2.gz VJVGHZSHVQDNCQ-LLVKDONJSA-N 1 0 285.307 1.715 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NCc1noc2c1C[NH2+]CC2 ZINC001155495889 1167197208 /nfs/dbraw/zinc/19/72/08/1167197208.db2.gz UXMXLWGXELHQOP-UHFFFAOYSA-N 1 0 289.295 1.544 20 5 CDBDRO Cc1c(C)c([N+](=O)[O-])cnc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001155506590 1167202409 /nfs/dbraw/zinc/20/24/09/1167202409.db2.gz VONXOUGYBDDRJB-GMTAPVOTSA-N 1 0 278.312 1.005 20 5 CDBDRO CCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000058233962 1167220510 /nfs/dbraw/zinc/22/05/10/1167220510.db2.gz SFLMCTLVERUXMC-LBPRGKRZSA-N 1 0 277.324 1.727 20 5 CDBDRO C[C@H](OC(=O)[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC001573590853 1170702538 /nfs/dbraw/zinc/70/25/38/1170702538.db2.gz YCSASZOEOPTGRE-CABZTGNLSA-N 1 0 264.281 1.951 20 5 CDBDRO [NH3+]C1(C(=O)CSc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001574264062 1170934368 /nfs/dbraw/zinc/93/43/68/1170934368.db2.gz JUUJOWNBLYSVLP-UHFFFAOYSA-N 1 0 270.285 1.886 20 5 CDBDRO C[C@H](N[C@@H](C)[C@H]1C[NH2+]CCO1)c1ccccc1[N+](=O)[O-] ZINC001576252231 1171372894 /nfs/dbraw/zinc/37/28/94/1171372894.db2.gz QHPSWQDZMXXWPP-COPLHBTASA-N 1 0 279.340 1.622 20 5 CDBDRO CN(C[C@H]1CC[NH2+]1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001578454038 1171919910 /nfs/dbraw/zinc/91/99/10/1171919910.db2.gz SCFDQBIPFGDWJN-RPTYSRGTSA-N 1 0 275.308 1.428 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH2+][C@H]2C[C@H]21 ZINC001579642602 1172232998 /nfs/dbraw/zinc/23/29/98/1172232998.db2.gz MICWYABLAYBVQL-NWDGAFQWSA-N 1 0 261.281 1.090 20 5 CDBDRO Cc1ccc(CNC(=O)N2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC001579695349 1172242357 /nfs/dbraw/zinc/24/23/57/1172242357.db2.gz CGYPQFMYCFWWIH-GFCCVEGCSA-N 1 0 292.339 1.393 20 5 CDBDRO C[NH+](C)CCCNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001591016487 1173563526 /nfs/dbraw/zinc/56/35/26/1173563526.db2.gz ZLLKMNQZLIKKGC-UHFFFAOYSA-N 1 0 291.315 1.139 20 5 CDBDRO CC(C)C[N@H+](C)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603287875 1175533036 /nfs/dbraw/zinc/53/30/36/1175533036.db2.gz AFAQUHCXLQLUQA-UHFFFAOYSA-N 1 0 290.327 1.863 20 5 CDBDRO Cc1c(C[NH2+]C2CCS(=O)CC2)cccc1[N+](=O)[O-] ZINC000158161883 1178214995 /nfs/dbraw/zinc/21/49/95/1178214995.db2.gz FRKYOMOKNDVRGO-UHFFFAOYSA-N 1 0 282.365 1.904 20 5 CDBDRO O=C(NCC1([NH2+]CC2CCCC2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001754980598 1185778433 /nfs/dbraw/zinc/77/84/33/1185778433.db2.gz JNOWPSGHYUYPTF-CHWSQXEVSA-N 1 0 295.383 1.470 20 5 CDBDRO C[C@H]([NH2+][C@H]1CCC(=O)NC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000089753039 697765649 /nfs/dbraw/zinc/76/56/49/697765649.db2.gz RUTRXQBXVAGTHU-KWQFWETISA-N 1 0 277.280 1.051 20 5 CDBDRO C[NH2+][C@H](C)c1cn(Cc2ccc([N+](=O)[O-])c(F)c2)nn1 ZINC000313551968 697823091 /nfs/dbraw/zinc/82/30/91/697823091.db2.gz SBPGZMJXOZZEDE-MRVPVSSYSA-N 1 0 279.275 1.654 20 5 CDBDRO C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)C1C[NH2+]C1 ZINC000817907702 697835997 /nfs/dbraw/zinc/83/59/97/697835997.db2.gz QTGJZOJILTTYFJ-QMMMGPOBSA-N 1 0 269.732 1.946 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[C@H]([NH3+])C2)c1 ZINC000715073185 697839510 /nfs/dbraw/zinc/83/95/10/697839510.db2.gz IPYFVMAQYSFTTN-KYZUINATSA-N 1 0 295.364 1.784 20 5 CDBDRO Cc1ncc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000819364145 697878175 /nfs/dbraw/zinc/87/81/75/697878175.db2.gz PFIHBYJLQVKTDG-CYBMUJFWSA-N 1 0 277.280 1.714 20 5 CDBDRO CCOc1cc(NCC[N@H+](C)CCO)ccc1[N+](=O)[O-] ZINC000884824594 697878350 /nfs/dbraw/zinc/87/83/50/697878350.db2.gz CYJCJCCUDYVSFP-UHFFFAOYSA-N 1 0 283.328 1.330 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1C ZINC000884270215 697992044 /nfs/dbraw/zinc/99/20/44/697992044.db2.gz IKYRTTYESFORMI-PWSUYJOCSA-N 1 0 291.351 1.939 20 5 CDBDRO COC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776277756 698031959 /nfs/dbraw/zinc/03/19/59/698031959.db2.gz RWAPRIHRONDQEK-AWEZNQCLSA-N 1 0 280.324 1.739 20 5 CDBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000840120765 698078073 /nfs/dbraw/zinc/07/80/73/698078073.db2.gz OFEBYNABHPCFJG-BZPMIXESSA-N 1 0 294.355 1.683 20 5 CDBDRO O=[N+]([O-])c1ccc(Cc2noc(C[C@@H]3CCC[NH2+]3)n2)nc1 ZINC000843191057 698078277 /nfs/dbraw/zinc/07/82/77/698078277.db2.gz BAHFWENVEDINJT-VIFPVBQESA-N 1 0 289.295 1.258 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CC[C@H](CO)CC2)c1 ZINC000843078105 698244906 /nfs/dbraw/zinc/24/49/06/698244906.db2.gz LJOLXRJXHMHIDF-WHOFXGATSA-N 1 0 294.351 1.769 20 5 CDBDRO C[C@@H]([NH2+]CC(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000134892434 698301625 /nfs/dbraw/zinc/30/16/25/698301625.db2.gz UNWKFXPMOJQORA-LLVKDONJSA-N 1 0 277.324 1.868 20 5 CDBDRO Cc1ccc(C(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000715140652 698323175 /nfs/dbraw/zinc/32/31/75/698323175.db2.gz ITFPGXUUXYDROO-HOMQSWHASA-N 1 0 263.297 1.370 20 5 CDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)(C)C[NH+]1CCCCCC1 ZINC000840426480 698323501 /nfs/dbraw/zinc/32/35/01/698323501.db2.gz PHKXDIHLTJVUBB-CHWSQXEVSA-N 1 0 297.399 1.765 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)OCC[NH+]1CCCCC1 ZINC000844264166 698327294 /nfs/dbraw/zinc/32/72/94/698327294.db2.gz GTODXHVEBZNAFZ-UHFFFAOYSA-N 1 0 281.312 1.576 20 5 CDBDRO C[NH2+]C[C@@H](C)c1noc(-c2ccc([N+](=O)[O-])n2C)n1 ZINC000842578075 698359635 /nfs/dbraw/zinc/35/96/35/698359635.db2.gz ZUKHITQCWJQXJB-SSDOTTSWSA-N 1 0 265.273 1.306 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000300667263 698365909 /nfs/dbraw/zinc/36/59/09/698365909.db2.gz HEFCRHHCAOHTAP-DOMZBBRYSA-N 1 0 295.383 1.948 20 5 CDBDRO Cc1c(C(=O)N[C@H](C)[C@H](C)[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000834821406 698468178 /nfs/dbraw/zinc/46/81/78/698468178.db2.gz PNGLRMIXPLRYCA-JGVFFNPUSA-N 1 0 296.283 1.277 20 5 CDBDRO Cc1nn(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000840087086 698485157 /nfs/dbraw/zinc/48/51/57/698485157.db2.gz PWRXHEBVAIDDRP-CQSZACIVSA-N 1 0 293.371 1.475 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](C)[C@@H](C)[NH3+])CC2 ZINC000818608374 698660000 /nfs/dbraw/zinc/66/00/00/698660000.db2.gz BBYYQNWKPKNMLO-VHSXEESVSA-N 1 0 277.324 1.776 20 5 CDBDRO CC1([NH+]2CCC2)CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000882506437 698881398 /nfs/dbraw/zinc/88/13/98/698881398.db2.gz XGMADIDQRGMIFY-UHFFFAOYSA-N 1 0 293.327 1.018 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000415141845 698882538 /nfs/dbraw/zinc/88/25/38/698882538.db2.gz XXHYCTINFKAGAX-AWEZNQCLSA-N 1 0 261.325 1.923 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCCC[C@@H]2O)cc1 ZINC000158652946 698943367 /nfs/dbraw/zinc/94/33/67/698943367.db2.gz BTCYDJSPXGESIF-VHDGCEQUSA-N 1 0 294.351 1.769 20 5 CDBDRO CN(CCC[NH+](C)C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823967983 698943429 /nfs/dbraw/zinc/94/34/29/698943429.db2.gz KEHPYEXPYKYVOV-UHFFFAOYSA-N 1 0 295.343 1.592 20 5 CDBDRO CN(C(=O)OC(C)(C)C)[C@H]1CCN(CC[N+](=O)[O-])C1 ZINC000929794800 698950214 /nfs/dbraw/zinc/95/02/14/698950214.db2.gz DGMCQUFMLRGFOF-JTQLQIEISA-N 1 0 273.333 1.204 20 5 CDBDRO C[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000851876769 698984109 /nfs/dbraw/zinc/98/41/09/698984109.db2.gz MQYDPYXAEVNMPS-JTQLQIEISA-N 1 0 267.304 1.870 20 5 CDBDRO C[N@@H+]1CC[C@H]2CN(c3ccnc(F)c3[N+](=O)[O-])CC[C@@H]21 ZINC000882700103 704890930 /nfs/dbraw/zinc/89/09/30/704890930.db2.gz SKZABUGIWZGHRH-UWVGGRQHSA-N 1 0 280.303 1.659 20 5 CDBDRO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCOC1 ZINC000776578473 704925307 /nfs/dbraw/zinc/92/53/07/704925307.db2.gz GADQIFWJBONPIH-SWLSCSKDSA-N 1 0 294.351 1.987 20 5 CDBDRO C[NH+](C)[C@@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)C1CC1 ZINC000865513154 704956222 /nfs/dbraw/zinc/95/62/22/704956222.db2.gz WQTSXCPHVOUOSL-AWEZNQCLSA-N 1 0 297.330 1.978 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](CO)CC2CCC2)cc1 ZINC000843118612 705045628 /nfs/dbraw/zinc/04/56/28/705045628.db2.gz OFMKYIFLFKRDSL-ZFWWWQNUSA-N 1 0 294.351 1.769 20 5 CDBDRO CN1CC[C@@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000922574479 705097098 /nfs/dbraw/zinc/09/70/98/705097098.db2.gz NWFDTLISHWSKQP-DIECRNLCSA-N 1 0 261.325 1.902 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCCOCC2)cc1 ZINC000313433225 705097329 /nfs/dbraw/zinc/09/73/29/705097329.db2.gz ZKCCCEXLBMNOMQ-OCCSQVGLSA-N 1 0 280.324 1.787 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000923362616 705262102 /nfs/dbraw/zinc/26/21/02/705262102.db2.gz PLYBWUNKOUCHPR-CFVMTHIKSA-N 1 0 291.351 1.312 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[NH+](CC(C)C)CC1 ZINC001164654056 719334869 /nfs/dbraw/zinc/33/48/69/719334869.db2.gz MLSLKYYUPWSHTJ-UHFFFAOYSA-N 1 0 294.355 1.315 20 5 CDBDRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCCCC1 ZINC000840268662 848130391 /nfs/dbraw/zinc/13/03/91/848130391.db2.gz VNXLGFWDCRNKLT-UPJWGTAASA-N 1 0 283.372 1.278 20 5 CDBDRO C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000785517242 848165039 /nfs/dbraw/zinc/16/50/39/848165039.db2.gz JBKXWJYFZVVUKV-LERXQTSPSA-N 1 0 280.324 1.331 20 5 CDBDRO O=[N+]([O-])CC[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000930638938 848198389 /nfs/dbraw/zinc/19/83/89/848198389.db2.gz NAWHOFPUFSUVMM-NEPJUHHUSA-N 1 0 254.330 1.544 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884081620 848228759 /nfs/dbraw/zinc/22/87/59/848228759.db2.gz DTLAFGPYBGEVRP-GFCCVEGCSA-N 1 0 291.351 1.799 20 5 CDBDRO COCCOC[C@@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819104512 848260006 /nfs/dbraw/zinc/26/00/06/848260006.db2.gz QRAJNLJBGRNMRK-RISCZKNCSA-N 1 0 298.339 1.269 20 5 CDBDRO COc1c(O)ccc(CN[C@@H](C[NH3+])C(C)(C)C)c1[N+](=O)[O-] ZINC001579136450 1167697392 /nfs/dbraw/zinc/69/73/92/1167697392.db2.gz KMMITZVAFUTZJP-NSHDSACASA-N 1 0 297.355 1.772 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000091556758 848484989 /nfs/dbraw/zinc/48/49/89/848484989.db2.gz WVDGXPAKMFJDRJ-MWLCHTKSSA-N 1 0 281.360 1.683 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877394374 848566896 /nfs/dbraw/zinc/56/68/96/848566896.db2.gz VMCRTNQORVZRTO-UKRRQHHQSA-N 1 0 289.335 1.918 20 5 CDBDRO C[C@@H](CCO)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843085136 848657058 /nfs/dbraw/zinc/65/70/58/848657058.db2.gz FSEWCQCOFQLNGJ-BXUZGUMPSA-N 1 0 282.340 1.626 20 5 CDBDRO O=C(NCC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702064887 848765819 /nfs/dbraw/zinc/76/58/19/848765819.db2.gz FCGNBIJERJTZOB-UHFFFAOYSA-N 1 0 297.742 1.978 20 5 CDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC[NH2+]C1CC1 ZINC000211591530 848817023 /nfs/dbraw/zinc/81/70/23/848817023.db2.gz UQXOSQIMQPPNHZ-BAQGIRSFSA-N 1 0 275.308 1.476 20 5 CDBDRO O=[N+]([O-])c1ccnn1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000176198547 848856040 /nfs/dbraw/zinc/85/60/40/848856040.db2.gz BOZZSSQUIXYSJC-PHIMTYICSA-N 1 0 250.302 1.871 20 5 CDBDRO CC(C)(CO)[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000886217630 848868553 /nfs/dbraw/zinc/86/85/53/848868553.db2.gz DMDUGYRUZMAKKQ-GFCCVEGCSA-N 1 0 279.340 1.877 20 5 CDBDRO CN(CC[NH+]1CCCC1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000063055043 848914723 /nfs/dbraw/zinc/91/47/23/848914723.db2.gz DSPXMLQAWPZNDM-UHFFFAOYSA-N 1 0 292.339 1.345 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(F)CC1 ZINC000880239903 848994904 /nfs/dbraw/zinc/99/49/04/848994904.db2.gz JHIMABHZVHORFB-GFCCVEGCSA-N 1 0 298.314 1.768 20 5 CDBDRO C[C@@H](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000839726698 849031426 /nfs/dbraw/zinc/03/14/26/849031426.db2.gz RKHXWFSNIYUXCG-QJPTWQEYSA-N 1 0 269.345 1.032 20 5 CDBDRO Cc1nonc1CNCc1cccc([N+](=O)[O-])c1C ZINC000231885659 849032042 /nfs/dbraw/zinc/03/20/42/849032042.db2.gz FITFOIXPZPPDHG-UHFFFAOYSA-N 1 0 262.269 1.884 20 5 CDBDRO C[N@@H+](CC1=CCCOC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852519337 849035584 /nfs/dbraw/zinc/03/55/84/849035584.db2.gz ZDKLIVUOQOWDDO-OAHLLOKOSA-N 1 0 292.335 1.907 20 5 CDBDRO CC(C)COC[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000049592667 849089005 /nfs/dbraw/zinc/08/90/05/849089005.db2.gz ZFFRWVDDSXFFFF-AWEZNQCLSA-N 1 0 282.340 1.718 20 5 CDBDRO C[C@@H]1C[C@@H](CO)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000817278161 849304496 /nfs/dbraw/zinc/30/44/96/849304496.db2.gz TVDWPPAZNQMKDG-JMSVASOKSA-N 1 0 294.351 1.579 20 5 CDBDRO CC(C)(CCc1noc(CC[C@@H]2CC[NH2+]C2)n1)[N+](=O)[O-] ZINC000843232785 849351871 /nfs/dbraw/zinc/35/18/71/849351871.db2.gz CVVQPABJKXDWLE-SNVBAGLBSA-N 1 0 282.344 1.600 20 5 CDBDRO C[C@H](NC[C@@H]([NH3+])C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817965439 849378696 /nfs/dbraw/zinc/37/86/96/849378696.db2.gz QLRIOORNMBRIMS-QPUJVOFHSA-N 1 0 264.329 1.565 20 5 CDBDRO CC[N@@H+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776276884 849402003 /nfs/dbraw/zinc/40/20/03/849402003.db2.gz KZPSQSBGVMEPHZ-IUODEOHRSA-N 1 0 293.367 1.654 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](c3ccccn3)C2)c1 ZINC000799191466 849490889 /nfs/dbraw/zinc/49/08/89/849490889.db2.gz LMPWQVKYYPZGHG-LBPRGKRZSA-N 1 0 287.323 1.676 20 5 CDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000794578322 849516498 /nfs/dbraw/zinc/51/64/98/849516498.db2.gz YBSSDGPPTLFJAU-PWSUYJOCSA-N 1 0 295.314 1.738 20 5 CDBDRO Cc1noc(CN2CCC[C@@H](CO)CC2)c1[N+](=O)[O-] ZINC000852093330 849627771 /nfs/dbraw/zinc/62/77/71/849627771.db2.gz IDNYLKVQLIGJLI-SNVBAGLBSA-N 1 0 269.301 1.486 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc(CC[C@H]3CC[NH2+]C3)n2)o1 ZINC000843237459 850157064 /nfs/dbraw/zinc/15/70/64/850157064.db2.gz BQONRZQGWNGQLS-QMMMGPOBSA-N 1 0 278.268 1.780 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000876855953 850226331 /nfs/dbraw/zinc/22/63/31/850226331.db2.gz HEUBINYKYGFPEZ-QWRGUYRKSA-N 1 0 295.314 1.641 20 5 CDBDRO C[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776602172 850237587 /nfs/dbraw/zinc/23/75/87/850237587.db2.gz TZVIRABEUCJTRC-JIMOISOXSA-N 1 0 266.297 1.083 20 5 CDBDRO C[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)N(C)C ZINC000788668675 850294722 /nfs/dbraw/zinc/29/47/22/850294722.db2.gz XRECLGFGBXEDTH-RKDXNWHRSA-N 1 0 280.328 1.304 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000876978590 850418426 /nfs/dbraw/zinc/41/84/26/850418426.db2.gz QWOHINLHYMEXLM-VIFPVBQESA-N 1 0 265.313 1.549 20 5 CDBDRO CC(C)(CCC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[N+](=O)[O-] ZINC000822878915 850466349 /nfs/dbraw/zinc/46/63/49/850466349.db2.gz OFBDOIQITUNXFD-CYBMUJFWSA-N 1 0 297.399 1.909 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC(=O)NC1 ZINC001173215398 912299280 /nfs/dbraw/zinc/29/92/80/912299280.db2.gz WCQKXKAREHYXMD-ZYHUDNBSSA-N 1 0 277.324 1.394 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)C1CC1 ZINC001173220818 912305118 /nfs/dbraw/zinc/30/51/18/912305118.db2.gz GYYMSYYRSHVVEW-QMTHXVAHSA-N 1 0 264.325 1.886 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC(=O)N(C)CC1 ZINC001173228640 912321819 /nfs/dbraw/zinc/32/18/19/912321819.db2.gz YJZDHRJICFWGHY-LBPRGKRZSA-N 1 0 291.351 1.690 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCOC1 ZINC001173211584 912335875 /nfs/dbraw/zinc/33/58/75/912335875.db2.gz SZOOLRQNBPJYOH-PWSUYJOCSA-N 1 0 250.298 1.904 20 5 CDBDRO O=C(NCC1C[NH2+]C1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001122010797 913326111 /nfs/dbraw/zinc/32/61/11/913326111.db2.gz ZKJJTTITOYRHOX-QWHCGFSZSA-N 1 0 275.308 1.034 20 5 CDBDRO C[NH2+]Cc1c(C)nn(-c2ncc(F)cc2[N+](=O)[O-])c1C ZINC001167098851 894498945 /nfs/dbraw/zinc/49/89/45/894498945.db2.gz XSKNIQDTBWJGMQ-UHFFFAOYSA-N 1 0 279.275 1.651 20 5 CDBDRO Cc1c[n+]([O-])c(-n2nc(C[NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC001167695089 898472615 /nfs/dbraw/zinc/47/26/15/898472615.db2.gz CCKQNFNYTJVWDS-UHFFFAOYSA-N 1 0 299.290 1.334 20 5 CDBDRO C[NH2+][C@@H](C)c1cn(Cc2ccc([N+](=O)[O-])c(F)c2)nn1 ZINC000313551969 900440498 /nfs/dbraw/zinc/44/04/98/900440498.db2.gz SBPGZMJXOZZEDE-QMMMGPOBSA-N 1 0 279.275 1.654 20 5 CDBDRO CC(C)CNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001161647282 904697346 /nfs/dbraw/zinc/69/73/46/904697346.db2.gz UZLSWNWXXNIHOT-UHFFFAOYSA-N 1 0 251.290 1.140 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cnccc1Cl ZINC001226293760 905078465 /nfs/dbraw/zinc/07/84/65/905078465.db2.gz MTOIBBIKRGHJLH-SECBINFHSA-N 1 0 273.740 1.098 20 5 CDBDRO CCOC(=O)[C@H]1CC[C@H](OCCC[N+](C)(C)C)CO1 ZINC001224622703 909979827 /nfs/dbraw/zinc/97/98/27/909979827.db2.gz IXONLSMBHRSAJP-QWHCGFSZSA-N 1 0 274.381 1.210 20 5 CDBDRO CCCCNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001162202396 922046854 /nfs/dbraw/zinc/04/68/54/922046854.db2.gz UQYVMJDIQLGKJW-UHFFFAOYSA-N 1 0 251.290 1.284 20 5 CDBDRO CC(C)C[C@H](CO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158628352 923573621 /nfs/dbraw/zinc/57/36/21/923573621.db2.gz UDQWHXDLJQZSTB-TZMCWYRMSA-N 1 0 282.340 1.625 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCOC(F)(F)F)C1 ZINC001168976052 927560967 /nfs/dbraw/zinc/56/09/67/927560967.db2.gz YXBLLAALXVMALY-HTQZYQBOSA-N 1 0 256.224 1.558 20 5 CDBDRO CN(C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977733 927563332 /nfs/dbraw/zinc/56/33/32/927563332.db2.gz LNOZFJIUOXHAQI-XUXIUFHCSA-N 1 0 269.389 1.894 20 5 CDBDRO Cc1c(CC[NH3+])c(=O)[nH]n1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168984361 927572200 /nfs/dbraw/zinc/57/22/00/927572200.db2.gz MJXJOKBQBVBIAU-ZJUUUORDSA-N 1 0 268.317 1.016 20 5 CDBDRO CC(C)[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)N1CCCC1 ZINC001168984916 927572923 /nfs/dbraw/zinc/57/29/23/927572923.db2.gz RFELXKVNUWDKGP-IHRRRGAJSA-N 1 0 297.399 1.668 20 5 CDBDRO COc1cc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)ccn1 ZINC001168956908 927576709 /nfs/dbraw/zinc/57/67/09/927576709.db2.gz CPOOCOGLFPEURL-NEPJUHHUSA-N 1 0 265.313 1.625 20 5 CDBDRO CC(C)(C)OC(=O)CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168965068 927586361 /nfs/dbraw/zinc/58/63/61/927586361.db2.gz XRSGTRRVYRKNCJ-MNOVXSKESA-N 1 0 272.345 1.753 20 5 CDBDRO CCOC(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)OCC ZINC001168965325 927588905 /nfs/dbraw/zinc/58/89/05/927588905.db2.gz ZTNIRIFRWAKAKY-GHMZBOCLSA-N 1 0 260.334 1.421 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001168968768 927591892 /nfs/dbraw/zinc/59/18/92/927591892.db2.gz AIOZTKCSDMJQNT-PWSUYJOCSA-N 1 0 265.313 1.625 20 5 CDBDRO CC(C)N1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168972377 927596218 /nfs/dbraw/zinc/59/62/18/927596218.db2.gz MTSHDGDKUCKOEN-UPJWGTAASA-N 1 0 255.362 1.504 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCOc2ccccn2)C1 ZINC001168972629 927596917 /nfs/dbraw/zinc/59/69/17/927596917.db2.gz AKCGQTFZINPERB-NWDGAFQWSA-N 1 0 265.313 1.495 20 5 CDBDRO CC(C)Oc1ccnc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001169006256 927609095 /nfs/dbraw/zinc/60/90/95/927609095.db2.gz GLCNOXZKCVDQAC-NWDGAFQWSA-N 1 0 294.355 1.799 20 5 CDBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169009047 927614083 /nfs/dbraw/zinc/61/40/83/927614083.db2.gz UOJYTEPTLIDUSM-RNJOBUHISA-N 1 0 284.356 1.753 20 5 CDBDRO C[N@H+](Cc1ncccn1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169008153 927614296 /nfs/dbraw/zinc/61/42/96/927614296.db2.gz RKJOHHCILYGVNQ-WDEREUQCSA-N 1 0 250.302 1.354 20 5 CDBDRO COC(=O)CC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169012351 927616711 /nfs/dbraw/zinc/61/67/11/927616711.db2.gz PKJRSNRBGITGHV-QWHCGFSZSA-N 1 0 284.356 1.707 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CC[C@H]3CCCO[C@@H]3C2)C1 ZINC001169010720 927616832 /nfs/dbraw/zinc/61/68/32/927616832.db2.gz FUEGNQWNWCFWSV-RFQIPJPRSA-N 1 0 268.357 1.933 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@](O)(CF)C2)C1 ZINC001169013773 927619329 /nfs/dbraw/zinc/61/93/29/927619329.db2.gz WHXHBPDTYRUUSO-UPJWGTAASA-N 1 0 274.336 1.618 20 5 CDBDRO O=C1COC2(C1)CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169014043 927620537 /nfs/dbraw/zinc/62/05/37/927620537.db2.gz YJMSWEUFOBZXEF-NWDGAFQWSA-N 1 0 282.340 1.256 20 5 CDBDRO Nc1ccc([C@H](CCO)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168990938 927629998 /nfs/dbraw/zinc/62/99/98/927629998.db2.gz FQSCSIQQMBMFHT-GLQYFDAESA-N 1 0 293.367 1.727 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCc3cccnc3C2)C1 ZINC001169036136 927645159 /nfs/dbraw/zinc/64/51/59/927645159.db2.gz FMCPCMIGELUMDY-WCQYABFASA-N 1 0 261.325 1.885 20 5 CDBDRO C[N@H+](CCC1OCCO1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040127 927653593 /nfs/dbraw/zinc/65/35/93/927653593.db2.gz YBQCDZNBOPEHKB-MNOVXSKESA-N 1 0 258.318 1.127 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CC[C@H](Oc3ccccn3)C2)C1 ZINC001169042471 927655960 /nfs/dbraw/zinc/65/59/60/927655960.db2.gz DUWWLIUQYUNSBW-IHRRRGAJSA-N 1 0 291.351 1.980 20 5 CDBDRO CCN1CCO[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169024818 927662808 /nfs/dbraw/zinc/66/28/08/927662808.db2.gz RAYVDGHUDXGOFW-CBBWQLFWSA-N 1 0 297.399 1.084 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCOC[C@H]2C2CC2)C1 ZINC001169047859 927665595 /nfs/dbraw/zinc/66/55/95/927665595.db2.gz RXPBESVLJRKDPF-RTXFEEFZSA-N 1 0 254.330 1.543 20 5 CDBDRO CN1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169050050 927669874 /nfs/dbraw/zinc/66/98/74/927669874.db2.gz YJYAOKYRLOILGR-SYQHCUMBSA-N 1 0 267.373 1.458 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(N3CCC3)CC2)C1 ZINC001169052552 927672514 /nfs/dbraw/zinc/67/25/14/927672514.db2.gz HEJGJPQYISKVFO-TZMCWYRMSA-N 1 0 267.373 1.602 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1-n1ccc([C@H](C)[NH3+])n1 ZINC001169231633 927841536 /nfs/dbraw/zinc/84/15/36/927841536.db2.gz OMGDFRMZPBYFIY-ZETCQYMHSA-N 1 0 263.257 1.204 20 5 CDBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[NH+](C)C ZINC000855414824 928410860 /nfs/dbraw/zinc/41/08/60/928410860.db2.gz BVYBZDHPBUMFHA-MRVPVSSYSA-N 1 0 298.318 1.386 20 5 CDBDRO O=[N+]([O-])c1cnc(NCC23CC[NH+](CC2)CC3)nc1 ZINC001169793730 928442233 /nfs/dbraw/zinc/44/22/33/928442233.db2.gz ZKFFLINNIYEDNL-UHFFFAOYSA-N 1 0 263.301 1.283 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CCNc2ncc([N+](=O)[O-])cc2N)C1 ZINC001156390128 928480152 /nfs/dbraw/zinc/48/01/52/928480152.db2.gz WGNKYELHVILUFO-JTQLQIEISA-N 1 0 279.344 1.716 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH2+]C[C@H]2CO)cc2cccnc21 ZINC001170781305 929973035 /nfs/dbraw/zinc/97/30/35/929973035.db2.gz JXOQURZBDALIFR-JQWIXIFHSA-N 1 0 288.307 1.135 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1cc(F)c(OC)cc1[N+](=O)[O-] ZINC001170863674 930505971 /nfs/dbraw/zinc/50/59/71/930505971.db2.gz CTYGHUMFZDMFGF-LLVKDONJSA-N 1 0 273.264 1.212 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1C ZINC001170865863 930533135 /nfs/dbraw/zinc/53/31/35/930533135.db2.gz RAPBXWFTRUZWNE-LLVKDONJSA-N 1 0 284.272 1.281 20 5 CDBDRO CC(C)([NH3+])CNc1cc([N+](=O)[O-])cc(Br)n1 ZINC001171194761 931860883 /nfs/dbraw/zinc/86/08/83/931860883.db2.gz DIOSCONWZOUGPX-UHFFFAOYSA-N 1 0 289.133 1.902 20 5 CDBDRO C[NH2+][C@@H](C)CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC001118122175 937593924 /nfs/dbraw/zinc/59/39/24/937593924.db2.gz QNALOOSHLXFLOE-UWVGGRQHSA-N 1 0 266.345 1.826 20 5 CDBDRO [NH3+]Cc1ccc2cn(-c3nccnc3[N+](=O)[O-])nc2c1 ZINC001171314410 932616797 /nfs/dbraw/zinc/61/67/97/932616797.db2.gz AJCMBBTZHRRHDM-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO O=C1NCc2c1c([N+](=O)[O-])ccc2NC[C@@H]1CCCC[NH2+]1 ZINC001171339483 932796364 /nfs/dbraw/zinc/79/63/64/932796364.db2.gz MTSBGOLMFIAFDM-VIFPVBQESA-N 1 0 290.323 1.392 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+](C)C ZINC000929162216 933210370 /nfs/dbraw/zinc/21/03/70/933210370.db2.gz IXTAHNXQXKHHIF-UHFFFAOYSA-N 1 0 297.380 1.998 20 5 CDBDRO C[C@@H](CNc1cc(N)c([N+](=O)[O-])cn1)C[NH+](C)C ZINC001120848195 937841439 /nfs/dbraw/zinc/84/14/39/937841439.db2.gz BUEYAAMRGNJCIO-QMMMGPOBSA-N 1 0 253.306 1.182 20 5 CDBDRO Nc1nc(-n2ccc3cc(C[NH3+])cnc32)ccc1[N+](=O)[O-] ZINC001156594262 938390979 /nfs/dbraw/zinc/39/09/79/938390979.db2.gz FVTDWOCDWDUBMZ-UHFFFAOYSA-N 1 0 284.279 1.370 20 5 CDBDRO [NH3+]Cc1cccn1-c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001156723694 938410939 /nfs/dbraw/zinc/41/09/39/938410939.db2.gz BKDSOFDUXKDBRH-UHFFFAOYSA-N 1 0 263.213 1.147 20 5 CDBDRO [NH3+]Cc1nn(-c2cc([N+](=O)[O-])ccn2)c2ccccc12 ZINC001156856491 938426871 /nfs/dbraw/zinc/42/68/71/938426871.db2.gz VIFXKLSCQVXUCC-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO Cc1c(C)c(-n2ccc(CC[NH3+])n2)ncc1[N+](=O)[O-] ZINC001156898411 938430864 /nfs/dbraw/zinc/43/08/64/938430864.db2.gz OSQHMSWQFWZLMQ-UHFFFAOYSA-N 1 0 261.285 1.294 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(c3cc([N+](=O)[O-])ccn3)C[C@@H]21 ZINC001157259715 938469994 /nfs/dbraw/zinc/46/99/94/938469994.db2.gz FSDQAQRPNISPLK-JQWIXIFHSA-N 1 0 262.313 1.520 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(c3cccc([N+](=O)[O-])n3)C[C@@H]21 ZINC001157261595 938470945 /nfs/dbraw/zinc/47/09/45/938470945.db2.gz SCABSFFFQNKKRW-MNOVXSKESA-N 1 0 262.313 1.520 20 5 CDBDRO O=[N+]([O-])c1ccc2ncc(-n3ccc4c3CC[NH2+]C4)nc2c1 ZINC001157441475 938492123 /nfs/dbraw/zinc/49/21/23/938492123.db2.gz BCILKMKCJJSXPL-UHFFFAOYSA-N 1 0 295.302 1.974 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1-n1ccc2c1CC[NH2+]C2 ZINC001157443838 938492436 /nfs/dbraw/zinc/49/24/36/938492436.db2.gz XZROWBMYBZSUOX-UHFFFAOYSA-N 1 0 258.281 1.735 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCCN1c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001157733183 938537594 /nfs/dbraw/zinc/53/75/94/938537594.db2.gz NNHRIIJAVWJSED-ONGXEEELSA-N 1 0 287.323 1.854 20 5 CDBDRO C[C@@H]1[C@@H]([NH3+])CCCN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC001157747750 938539745 /nfs/dbraw/zinc/53/97/45/938539745.db2.gz RHHFSYPDADEVHR-ZJUUUORDSA-N 1 0 287.323 1.854 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001157765454 938543143 /nfs/dbraw/zinc/54/31/43/938543143.db2.gz RZNSKBGOVUSVIV-AWEZNQCLSA-N 1 0 299.334 1.723 20 5 CDBDRO O=[N+]([O-])c1ccnc(NCc2ncn3c2C[NH2+]CCC3)c1 ZINC001158356554 938614265 /nfs/dbraw/zinc/61/42/65/938614265.db2.gz UPTYRNRWGIILQY-UHFFFAOYSA-N 1 0 288.311 1.292 20 5 CDBDRO COc1cnc(N2CCC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001158676035 938649378 /nfs/dbraw/zinc/64/93/78/938649378.db2.gz WVXDLGSEILSNOK-ZDUSSCGKSA-N 1 0 280.328 1.564 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(N2CC[NH2+]C3(CC3)C2)nc1Cl ZINC001158936588 938680417 /nfs/dbraw/zinc/68/04/17/938680417.db2.gz JWSMQQZZEKVEHW-UHFFFAOYSA-N 1 0 282.731 1.894 20 5 CDBDRO Cc1nc(N2CCC3(C[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC001159039677 938694369 /nfs/dbraw/zinc/69/43/69/938694369.db2.gz IUYRFKOZNXRKOP-UHFFFAOYSA-N 1 0 262.313 1.488 20 5 CDBDRO CN(c1cc([N+](=O)[O-])c2cc[nH]c2n1)C(C)(C)C[NH3+] ZINC001159054976 938698366 /nfs/dbraw/zinc/69/83/66/938698366.db2.gz DLEUMCDEGNHBBR-UHFFFAOYSA-N 1 0 263.301 1.645 20 5 CDBDRO O=C(NCCC1=CC[N@H+](CCCF)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160097480 938768935 /nfs/dbraw/zinc/76/89/35/938768935.db2.gz KHHBJHZCRLJIOS-CHWSQXEVSA-N 1 0 299.346 1.150 20 5 CDBDRO CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001160152857 938772067 /nfs/dbraw/zinc/77/20/67/938772067.db2.gz IQXYWMXEHIGXBV-LLVKDONJSA-N 1 0 277.324 1.761 20 5 CDBDRO CN(C)c1ccc(NCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001161671233 938918715 /nfs/dbraw/zinc/91/87/15/938918715.db2.gz LNTREOFGAYHFFA-UHFFFAOYSA-N 1 0 252.318 1.634 20 5 CDBDRO [NH3+]CCN(c1ccc(F)cc1)c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001161877287 938939159 /nfs/dbraw/zinc/93/91/59/938939159.db2.gz GFUZDKSERLXICZ-UHFFFAOYSA-N 1 0 292.270 1.464 20 5 CDBDRO [NH3+]Cc1cn(-c2ccc3nc[nH]c3c2[N+](=O)[O-])cn1 ZINC001162304461 938976200 /nfs/dbraw/zinc/97/62/00/938976200.db2.gz SMRHIEUOQPGVRA-UHFFFAOYSA-N 1 0 258.241 1.116 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](Nc2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])C1 ZINC001162391501 939042384 /nfs/dbraw/zinc/04/23/84/939042384.db2.gz NKHYUXYQCITIPZ-JGVFFNPUSA-N 1 0 286.719 1.563 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001162395907 939043765 /nfs/dbraw/zinc/04/37/65/939043765.db2.gz WVVPIYRZTMNWKF-BDAKNGLRSA-N 1 0 265.317 1.713 20 5 CDBDRO C[C@@H]1C[C@@H](CNc2ncnc(Cl)c2[N+](=O)[O-])C[NH2+]1 ZINC001162555284 939086353 /nfs/dbraw/zinc/08/63/53/939086353.db2.gz PNIQNDCTBPTCQP-RNFRBKRXSA-N 1 0 271.708 1.448 20 5 CDBDRO O=[N+]([O-])c1ccc2ncc(N[C@@H]3C=C[C@@H]4C[NH2+]C[C@H]34)nc2c1 ZINC001162789676 939139950 /nfs/dbraw/zinc/13/99/50/939139950.db2.gz JZRMVVMAXXFSKX-ADEWGFFLSA-N 1 0 297.318 1.724 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)n1 ZINC001162791640 939141057 /nfs/dbraw/zinc/14/10/57/939141057.db2.gz CWRITEYNTMUPMK-FXBDTBDDSA-N 1 0 280.715 1.829 20 5 CDBDRO COc1cc(C)c([N+](=O)[O-])cc1N[C@@H]1COC[C@@H]1[NH3+] ZINC001162924925 939162136 /nfs/dbraw/zinc/16/21/36/939162136.db2.gz JMMRKUVRVBPWKV-WCBMZHEXSA-N 1 0 267.285 1.050 20 5 CDBDRO CC(=O)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001163060572 939187290 /nfs/dbraw/zinc/18/72/90/939187290.db2.gz LCEITTFIKCUDMO-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ncc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163141350 939211689 /nfs/dbraw/zinc/21/16/89/939211689.db2.gz XQZOWLKMLASCCU-ZXFLCMHBSA-N 1 0 284.703 1.042 20 5 CDBDRO C[C@@H]1CCC[C@@H](C)N1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001163550036 939285066 /nfs/dbraw/zinc/28/50/66/939285066.db2.gz LBRPJLHSQHWIJZ-NXEZZACHSA-N 1 0 291.355 1.839 20 5 CDBDRO C[C@H]1CC[C@@H](C[NH3+])N(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC001164066856 939403726 /nfs/dbraw/zinc/40/37/26/939403726.db2.gz APYIDPGZLSHROS-WPRPVWTQSA-N 1 0 268.292 1.693 20 5 CDBDRO Cc1cnc(N2CC([N@@H+](C)[C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001165204135 939524226 /nfs/dbraw/zinc/52/42/26/939524226.db2.gz VBSSLKZMPYSMNO-LLVKDONJSA-N 1 0 292.339 1.208 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2CCC3(CC([NH3+])C3)CC2)n1 ZINC001165243403 939532157 /nfs/dbraw/zinc/53/21/57/939532157.db2.gz KAHVHZURZVILEC-UHFFFAOYSA-N 1 0 277.328 1.401 20 5 CDBDRO Cc1ccnc(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1[N+](=O)[O-] ZINC001165288264 939540588 /nfs/dbraw/zinc/54/05/88/939540588.db2.gz INHHCDQJTZRWHR-VXGBXAGGSA-N 1 0 292.339 1.113 20 5 CDBDRO Cc1cc(Cl)nc(N2CCC[C@@H]3[NH2+]C[C@@H]32)c1[N+](=O)[O-] ZINC001165394801 939558312 /nfs/dbraw/zinc/55/83/12/939558312.db2.gz ZCCJWBFQAXTGOC-IUCAKERBSA-N 1 0 282.731 1.892 20 5 CDBDRO Cc1nc(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)ccc1[N+](=O)[O-] ZINC001165427704 939563308 /nfs/dbraw/zinc/56/33/08/939563308.db2.gz SJZFOBZNEJOZDK-QWRGUYRKSA-N 1 0 294.330 1.811 20 5 CDBDRO COc1cc(-n2ccnc2CC[NH3+])cc([N+](=O)[O-])c1C ZINC001166369684 939606432 /nfs/dbraw/zinc/60/64/32/939606432.db2.gz HUGRTQPYXCUMFH-UHFFFAOYSA-N 1 0 276.296 1.599 20 5 CDBDRO [NH3+][C@@H]1CN(c2nccc(Cl)c2[N+](=O)[O-])C[C@@H]1F ZINC001166927640 939650731 /nfs/dbraw/zinc/65/07/31/939650731.db2.gz HGBRHAKDOKEVER-NKWVEPMBSA-N 1 0 260.656 1.129 20 5 CDBDRO [NH3+][C@@H]1CCN(c2nccc(Cl)c2[N+](=O)[O-])CC1(F)F ZINC001166960369 939661121 /nfs/dbraw/zinc/66/11/21/939661121.db2.gz OZWXZWDODGOOSA-SSDOTTSWSA-N 1 0 292.673 1.816 20 5 CDBDRO CC[C@@H](C)C[C@@H]([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000400987184 940862196 /nfs/dbraw/zinc/86/21/96/940862196.db2.gz ZGDSLFKIMKIBMM-ZWNOBZJWSA-N 1 0 279.340 1.975 20 5 CDBDRO CCOC(=O)c1ccc(CO[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001217824959 941021700 /nfs/dbraw/zinc/02/17/00/941021700.db2.gz ZVRPVCVCIHOSFM-LBPRGKRZSA-N 1 0 294.307 1.650 20 5 CDBDRO [NH3+]CCCO[C@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001217912278 941028541 /nfs/dbraw/zinc/02/85/41/941028541.db2.gz IFSXAXFCBMLBCJ-GFCCVEGCSA-N 1 0 268.269 1.099 20 5 CDBDRO O=[N+]([O-])c1cccc(O[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC001218183808 941043712 /nfs/dbraw/zinc/04/37/12/941043712.db2.gz UDTYLHOQVZDZTE-ZETCQYMHSA-N 1 0 253.214 1.244 20 5 CDBDRO Cc1noc(C)c1-c1nc(CO[C@@H](C)C[N+](C)(C)C)no1 ZINC001223180916 941662233 /nfs/dbraw/zinc/66/22/33/941662233.db2.gz OGOAEYZQHMJNLV-VIFPVBQESA-N 1 0 295.363 1.953 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCc1ccc([N+](=O)[O-])nc1 ZINC001224115974 941722306 /nfs/dbraw/zinc/72/23/06/941722306.db2.gz XTXGLOSDSOMGAD-JTQLQIEISA-N 1 0 254.310 1.601 20 5 CDBDRO CCc1ccccc1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224218497 941731142 /nfs/dbraw/zinc/73/11/42/941731142.db2.gz PRLPWDPORIAZAF-OAHLLOKOSA-N 1 0 280.388 1.749 20 5 CDBDRO Cc1ccnc(O[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001226115874 941953005 /nfs/dbraw/zinc/95/30/05/941953005.db2.gz JWKBLKNLFZBJQE-JTQLQIEISA-N 1 0 251.286 1.771 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2c(C(=O)OC)cccc2[N+](=O)[O-])C1 ZINC001227122482 942137167 /nfs/dbraw/zinc/13/71/67/942137167.db2.gz QIDGWYIWLLDQJT-SNVBAGLBSA-N 1 0 294.307 1.854 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2ncc(C)cc2[N+](=O)[O-])C1 ZINC001227234546 942154146 /nfs/dbraw/zinc/15/41/46/942154146.db2.gz HAILLMYSHJXVBK-JTQLQIEISA-N 1 0 251.286 1.771 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001227465787 942179429 /nfs/dbraw/zinc/17/94/29/942179429.db2.gz JKYBBWRKHJFSOB-VIFPVBQESA-N 1 0 284.292 1.977 20 5 CDBDRO CC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)c(C(N)=O)c1 ZINC001229335023 942455161 /nfs/dbraw/zinc/45/51/61/942455161.db2.gz IVVUZOBXEJZAGT-JTQLQIEISA-O 1 0 279.360 1.462 20 5 CDBDRO C[N@@H+]1CC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001229484171 942480390 /nfs/dbraw/zinc/48/03/90/942480390.db2.gz HFTNZBXJFZMMJF-VIFPVBQESA-N 1 0 263.253 1.819 20 5 CDBDRO COC(=O)c1cccc(O)c1O[C@H](C)C[N+](C)(C)C ZINC001230286537 942601636 /nfs/dbraw/zinc/60/16/36/942601636.db2.gz FQDCXNBBLNRVSW-SNVBAGLBSA-O 1 0 268.333 1.652 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(O[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001230491679 942624878 /nfs/dbraw/zinc/62/48/78/942624878.db2.gz ZULCERZXKWNMMI-VIFPVBQESA-N 1 0 281.268 1.894 20 5 CDBDRO COc1cc(CC[N+](=O)[O-])ccc1O[C@H](C)C[N+](C)(C)C ZINC001233988793 943706813 /nfs/dbraw/zinc/70/68/13/943706813.db2.gz XSBMMSMTEGPQCZ-GFCCVEGCSA-N 1 0 297.375 1.988 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2ccc(C(N)=O)cc21 ZINC001234507631 943871123 /nfs/dbraw/zinc/87/11/23/943871123.db2.gz XWBDUSJZRRLTSP-SNVBAGLBSA-O 1 0 289.359 1.202 20 5 CDBDRO C[NH2+][C@H](C)CCNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC001261370229 946079348 /nfs/dbraw/zinc/07/93/48/946079348.db2.gz CKLSNVUFJSMGIQ-SNVBAGLBSA-N 1 0 297.355 1.700 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261458995 946126937 /nfs/dbraw/zinc/12/69/37/946126937.db2.gz UAJHWFJXFVJXNT-ZANVPECISA-N 1 0 275.308 1.435 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](CO)CC2CC2)c1 ZINC001262566294 946717694 /nfs/dbraw/zinc/71/76/94/946717694.db2.gz MGVMHPCHAVGRIV-JSGCOSHPSA-N 1 0 280.324 1.379 20 5 CDBDRO CC1(O)C[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254477020 947450656 /nfs/dbraw/zinc/45/06/56/947450656.db2.gz ZSQNIWOFEWSIHA-UHFFFAOYSA-N 1 0 291.351 1.630 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC(=O)N1C ZINC001254538755 947515395 /nfs/dbraw/zinc/51/53/95/947515395.db2.gz AKYIBOYVYFKACU-AAEUAGOBSA-N 1 0 291.351 1.736 20 5 CDBDRO COC(C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])OC ZINC001254539933 947519138 /nfs/dbraw/zinc/51/91/38/947519138.db2.gz MSRRPRDNCZCGFL-JTQLQIEISA-N 1 0 268.313 1.734 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CN3CCC1CC3)C2 ZINC001254572039 947530838 /nfs/dbraw/zinc/53/08/38/947530838.db2.gz GUPZJFPFEPCQPU-ZBFHGGJFSA-N 1 0 287.363 1.746 20 5 CDBDRO COCC1C[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254597826 947546335 /nfs/dbraw/zinc/54/63/35/947546335.db2.gz HVHCZYIXWYWEND-CQSZACIVSA-N 1 0 262.309 1.640 20 5 CDBDRO C[C@]1(O)CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601386 947549777 /nfs/dbraw/zinc/54/97/77/947549777.db2.gz ZATHQKFFPKSXCW-CABCVRRESA-N 1 0 276.336 1.909 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC(C3COC3)C1)C2 ZINC001254599235 947549841 /nfs/dbraw/zinc/54/98/41/947549841.db2.gz MMWWFMUQJISVRQ-OAHLLOKOSA-N 1 0 274.320 1.640 20 5 CDBDRO CN1CC[C@H]2C[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]21 ZINC001254603641 947553583 /nfs/dbraw/zinc/55/35/83/947553583.db2.gz PKYLFXHDVKNTLS-APHBMKBZSA-N 1 0 287.363 1.698 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@H]1CCC[NH2+]C1)C2 ZINC001246119053 947969551 /nfs/dbraw/zinc/96/95/51/947969551.db2.gz ANGJIZLUZGFDLS-QWHCGFSZSA-N 1 0 261.325 1.404 20 5 CDBDRO CCC1(N[C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C[NH2+]C1 ZINC001246226212 948040298 /nfs/dbraw/zinc/04/02/98/948040298.db2.gz BHGGPDOQYZSMHV-LLVKDONJSA-N 1 0 293.367 1.876 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CC12C[NH2+]C2 ZINC001246447266 948178051 /nfs/dbraw/zinc/17/80/51/948178051.db2.gz VCWAONYTDOFXNF-GWCFXTLKSA-N 1 0 261.325 1.477 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC12C[NH2+]C2 ZINC001246447269 948179486 /nfs/dbraw/zinc/17/94/86/948179486.db2.gz VCWAONYTDOFXNF-ZWNOBZJWSA-N 1 0 261.325 1.477 20 5 CDBDRO C[NH+]1CC(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001247368731 948618081 /nfs/dbraw/zinc/61/80/81/948618081.db2.gz IVYQMUDKVUTJOH-UHFFFAOYSA-N 1 0 279.231 1.208 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001336745076 960538051 /nfs/dbraw/zinc/53/80/51/960538051.db2.gz MGCSPPJJEWMNMH-AWEZNQCLSA-N 1 0 291.351 1.738 20 5 CDBDRO CC(C)[C@@H](C[NH2+]CC[N+](=O)[O-])Nc1ccccc1 ZINC001336756997 960551098 /nfs/dbraw/zinc/55/10/98/960551098.db2.gz VUWZSRLKNPGTQT-CYBMUJFWSA-N 1 0 251.330 1.989 20 5 CDBDRO C[C@@H](Nc1ccc([N+](=O)[O-])s1)[C@H]1CN(C)CCN1C ZINC001337266813 961070264 /nfs/dbraw/zinc/07/02/64/961070264.db2.gz GEKXHOUGOWEJBW-NXEZZACHSA-N 1 0 284.385 1.703 20 5 CDBDRO C[C@H](C[C@H](C)[NH2+]CC[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC001338534276 961862474 /nfs/dbraw/zinc/86/24/74/961862474.db2.gz DYPXMVVOLLMPNA-VHSXEESVSA-N 1 0 275.349 1.545 20 5 CDBDRO CC(C)[N@H+](CC[N+](=O)[O-])C[C@@H](O)COc1ccccc1 ZINC001341393648 963396141 /nfs/dbraw/zinc/39/61/41/963396141.db2.gz RQALVJZPVVAGKU-CYBMUJFWSA-N 1 0 282.340 1.413 20 5 CDBDRO C[C@@H](NC(=O)C[NH2+]CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001341739730 963525300 /nfs/dbraw/zinc/52/53/00/963525300.db2.gz ILVYFJNXSYKEMT-SNVBAGLBSA-N 1 0 277.324 1.772 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341750629 963530070 /nfs/dbraw/zinc/53/00/70/963530070.db2.gz HFMPSTLMKUEBPP-GGZOMVNGSA-N 1 0 263.297 1.162 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC001345111780 964578833 /nfs/dbraw/zinc/57/88/33/964578833.db2.gz NVCUHQTXUUYIAL-VIFPVBQESA-N 1 0 296.327 1.723 20 5 CDBDRO C[C@H]1CCN(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001353311082 967885221 /nfs/dbraw/zinc/88/52/21/967885221.db2.gz NOXWJVYAYSAMDB-SWLSCSKDSA-N 1 0 293.367 1.560 20 5 CDBDRO COc1cccc(C(=O)N2CC[C@H](CC[NH3+])C2)c1[N+](=O)[O-] ZINC001358251579 969713601 /nfs/dbraw/zinc/71/36/01/969713601.db2.gz ZXXAHSPFTZABBQ-JTQLQIEISA-N 1 0 293.323 1.414 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001577167939 1171613778 /nfs/dbraw/zinc/61/37/78/1171613778.db2.gz LIBHSRBCEJSLSA-CYBMUJFWSA-N 1 0 293.323 1.182 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601032728 342460131 /nfs/dbraw/zinc/46/01/31/342460131.db2.gz INIGRQUZQRHKDV-SNVBAGLBSA-N 1 0 295.314 1.900 20 5 CDBDRO C[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)[NH+](C)C ZINC000044498809 341977495 /nfs/dbraw/zinc/97/74/95/341977495.db2.gz XCIHZSQGHJCAHZ-SSDOTTSWSA-N 1 0 257.315 1.336 20 5 CDBDRO Cc1c([C@H](C)[NH2+][C@@H]2COC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000601291196 342549559 /nfs/dbraw/zinc/54/95/59/342549559.db2.gz HUFVEODFPSNOPN-NDMJEZRESA-N 1 0 266.297 1.314 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CN1CCOc1ccccc1[N+](=O)[O-] ZINC000601330792 342554811 /nfs/dbraw/zinc/55/48/11/342554811.db2.gz XLYCYLMKEMEZHS-QWRGUYRKSA-N 1 0 265.313 1.395 20 5 CDBDRO C[NH+](C)CCOCCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601412988 342560861 /nfs/dbraw/zinc/56/08/61/342560861.db2.gz XUERIYYDLNCARZ-UHFFFAOYSA-N 1 0 299.302 1.042 20 5 CDBDRO [NH3+]CC[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000070171345 361736649 /nfs/dbraw/zinc/73/66/49/361736649.db2.gz FOUNRHSKIZHMIE-JTQLQIEISA-N 1 0 250.302 1.555 20 5 CDBDRO C[C@@]1(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000273039894 192027722 /nfs/dbraw/zinc/02/77/22/192027722.db2.gz UWCYETPCVAYWHV-CQSZACIVSA-N 1 0 292.339 1.297 20 5 CDBDRO CC(C)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(N)=O ZINC000046061253 342049606 /nfs/dbraw/zinc/04/96/06/342049606.db2.gz GFBBYGPWGADFFU-UHFFFAOYSA-N 1 0 295.339 1.417 20 5 CDBDRO Cc1nc(NC[C@@H]2CC[N@@H+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000590687818 342582803 /nfs/dbraw/zinc/58/28/03/342582803.db2.gz ZGBDZUNQEOELLD-NSHDSACASA-N 1 0 279.344 1.257 20 5 CDBDRO CN(C)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])o2)cn1 ZINC000046386117 342059703 /nfs/dbraw/zinc/05/97/03/342059703.db2.gz GGPMXLHUPQLPJB-UHFFFAOYSA-N 1 0 290.279 1.579 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000237616854 342064334 /nfs/dbraw/zinc/06/43/34/342064334.db2.gz SONSIILOYLPVFS-DTWKUNHWSA-N 1 0 278.312 1.129 20 5 CDBDRO CCOc1ccc(C(=O)N2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000125095987 187169717 /nfs/dbraw/zinc/16/97/17/187169717.db2.gz QFERNDUTQIGAAY-SNVBAGLBSA-N 1 0 293.323 1.427 20 5 CDBDRO O=[N+]([O-])c1ncccc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000609132449 342091410 /nfs/dbraw/zinc/09/14/10/342091410.db2.gz YLOABBUCHSVCMW-AAEUAGOBSA-N 1 0 292.339 1.025 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591436467 342631594 /nfs/dbraw/zinc/63/15/94/342631594.db2.gz AISXZKAKPPHBLW-ONGXEEELSA-N 1 0 265.288 1.922 20 5 CDBDRO CC[NH2+]CCCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000591344147 342628719 /nfs/dbraw/zinc/62/87/19/342628719.db2.gz KSBWBYVSUGHEST-NSHDSACASA-N 1 0 294.355 1.955 20 5 CDBDRO C[N@H+](CCC(C)(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000592144190 342673009 /nfs/dbraw/zinc/67/30/09/342673009.db2.gz BNZQSZCXBOQSRJ-LBPRGKRZSA-N 1 0 284.360 1.520 20 5 CDBDRO C[C@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CO1 ZINC000592366045 342689328 /nfs/dbraw/zinc/68/93/28/342689328.db2.gz OTCJJUTZQIWNMM-CMPLNLGQSA-N 1 0 250.298 1.904 20 5 CDBDRO CC1([NH3+])CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000592331549 342685528 /nfs/dbraw/zinc/68/55/28/342685528.db2.gz VOHJEFPHMZTNPE-UHFFFAOYSA-N 1 0 293.323 1.313 20 5 CDBDRO CCCc1[nH]nc(-c2nc([C@@H]3CCC[NH2+]3)no2)c1[N+](=O)[O-] ZINC000592356719 342688011 /nfs/dbraw/zinc/68/80/11/342688011.db2.gz GNHPBTHWFFBYJM-QMMMGPOBSA-N 1 0 292.299 1.745 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000592439023 342692988 /nfs/dbraw/zinc/69/29/88/342692988.db2.gz XVQPFBPCEPVVJG-BDAKNGLRSA-N 1 0 255.293 1.949 20 5 CDBDRO Cc1ccc(CN2CCO[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000592428753 342694990 /nfs/dbraw/zinc/69/49/90/342694990.db2.gz UCVYTQPRYBEAHL-RISCZKNCSA-N 1 0 279.340 1.451 20 5 CDBDRO CC(C)([NH3+])CCC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000592482674 342695486 /nfs/dbraw/zinc/69/54/86/342695486.db2.gz CLRSGSCZOJDBBB-UHFFFAOYSA-N 1 0 294.355 1.640 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000592568493 342707227 /nfs/dbraw/zinc/70/72/27/342707227.db2.gz QQDXBBVSRSGNTM-IUCAKERBSA-N 1 0 281.312 1.459 20 5 CDBDRO C[C@@H]1[C@H](C(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000592766918 342725755 /nfs/dbraw/zinc/72/57/55/342725755.db2.gz KRLZHXQZOAKTFK-DGCLKSJQSA-N 1 0 291.351 1.594 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000322358565 342185451 /nfs/dbraw/zinc/18/54/51/342185451.db2.gz AULFLPAZBXBYKB-XYPYZODXSA-N 1 0 277.324 1.903 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](CO)CCF ZINC000593690190 342823388 /nfs/dbraw/zinc/82/33/88/342823388.db2.gz UQAMFJYQANBLIZ-PYEVWLCESA-N 1 0 268.288 1.918 20 5 CDBDRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000125498859 187188102 /nfs/dbraw/zinc/18/81/02/187188102.db2.gz XMDVWCPTQKOODQ-YPMLDQLKSA-N 1 0 270.354 1.842 20 5 CDBDRO O=C1NCCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594516804 342917115 /nfs/dbraw/zinc/91/71/15/342917115.db2.gz FKKAEOKRRBVCDF-ZWNOBZJWSA-N 1 0 289.335 1.698 20 5 CDBDRO C[NH2+]CCOCCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000600952188 342258250 /nfs/dbraw/zinc/25/82/50/342258250.db2.gz SHGSLFGOXQKLQO-UHFFFAOYSA-N 1 0 290.323 1.213 20 5 CDBDRO CC[C@@](C)([NH3+])c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594651338 342933024 /nfs/dbraw/zinc/93/30/24/342933024.db2.gz BYDDNGORTYTNGQ-GFCCVEGCSA-N 1 0 277.284 1.465 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000127799636 342285356 /nfs/dbraw/zinc/28/53/56/342285356.db2.gz QWLXJDHUANFORF-MFKMUULPSA-N 1 0 293.323 1.091 20 5 CDBDRO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000158549704 342290159 /nfs/dbraw/zinc/29/01/59/342290159.db2.gz SHZBSKLZWANCRD-RKDXNWHRSA-N 1 0 251.290 1.279 20 5 CDBDRO CCC[C@@H](CC)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000050403342 342291289 /nfs/dbraw/zinc/29/12/89/342291289.db2.gz KYGYLZZWCXSTJV-ZYHUDNBSSA-N 1 0 270.333 1.321 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C/C=C\CO ZINC000594974578 342992928 /nfs/dbraw/zinc/99/29/28/342992928.db2.gz MLKLWTFXFBVOPJ-ARJAWSKDSA-N 1 0 266.297 1.632 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000595264367 343015697 /nfs/dbraw/zinc/01/56/97/343015697.db2.gz MLQAXYKSZVEQTF-JTQLQIEISA-N 1 0 280.328 1.044 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000595236942 343016888 /nfs/dbraw/zinc/01/68/88/343016888.db2.gz SHNCPRNIRQFTDP-SECBINFHSA-N 1 0 280.328 1.941 20 5 CDBDRO Cc1noc(CN2CCC([NH2+]C(C)C)CC2)c1[N+](=O)[O-] ZINC000595364385 343040597 /nfs/dbraw/zinc/04/05/97/343040597.db2.gz OHECVFUZDDVXGE-UHFFFAOYSA-N 1 0 282.344 1.854 20 5 CDBDRO [NH3+][C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000404533886 349774891 /nfs/dbraw/zinc/77/48/91/349774891.db2.gz YPTUREBSNWYSPI-RYUDHWBXSA-N 1 0 290.323 1.986 20 5 CDBDRO CC(C)[NH+](CCNc1ncc([N+](=O)[O-])c(N)n1)C(C)C ZINC000076429528 342323180 /nfs/dbraw/zinc/32/31/80/342323180.db2.gz UEQCKTRLGNNGER-UHFFFAOYSA-N 1 0 282.348 1.498 20 5 CDBDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595543452 343093922 /nfs/dbraw/zinc/09/39/22/343093922.db2.gz JRNHZBRCLNHUPB-NSHDSACASA-N 1 0 295.314 1.644 20 5 CDBDRO O=C1CCCC12CC[NH+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000595808071 343159453 /nfs/dbraw/zinc/15/94/53/343159453.db2.gz SFFCISWROOGXPB-UHFFFAOYSA-N 1 0 292.339 1.627 20 5 CDBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595856293 343165441 /nfs/dbraw/zinc/16/54/41/343165441.db2.gz AIDOCFVMNPNKQD-GPWHNMLOSA-N 1 0 294.355 1.415 20 5 CDBDRO CCOc1ccc(C(=O)N(C)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000595961934 343197393 /nfs/dbraw/zinc/19/73/93/343197393.db2.gz NHGRQHIKKLZXEE-UHFFFAOYSA-N 1 0 295.339 1.803 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]2C[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000595941487 343204076 /nfs/dbraw/zinc/20/40/76/343204076.db2.gz QIRPJBWYSOJVIU-YUSALJHKSA-N 1 0 277.324 1.818 20 5 CDBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[NH+](C)C ZINC000596077241 343226916 /nfs/dbraw/zinc/22/69/16/343226916.db2.gz RWLGUFOLFWWODN-QMMMGPOBSA-N 1 0 266.301 1.056 20 5 CDBDRO Cc1c(NC(=O)C(C)(C)C[NH3+])cccc1[N+](=O)[O-] ZINC000137408605 342413465 /nfs/dbraw/zinc/41/34/65/342413465.db2.gz SBIDJLWDMKHIDW-UHFFFAOYSA-N 1 0 251.286 1.827 20 5 CDBDRO C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000111784335 365744510 /nfs/dbraw/zinc/74/45/10/365744510.db2.gz DSQQIWUAZCZFLF-QWRGUYRKSA-N 1 0 292.339 1.216 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000598343781 343771423 /nfs/dbraw/zinc/77/14/23/343771423.db2.gz XSFNAPGLCWEXOT-GFCCVEGCSA-N 1 0 277.324 1.809 20 5 CDBDRO COC(=O)c1ccnc(N[C@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000598592143 343838354 /nfs/dbraw/zinc/83/83/54/343838354.db2.gz GEROVZNZYXOTHH-SECBINFHSA-N 1 0 296.327 1.529 20 5 CDBDRO [NH3+][C@@]12CCC[C@@H]1CN(CCOc1ccccc1[N+](=O)[O-])C2 ZINC000598684379 343864943 /nfs/dbraw/zinc/86/49/43/343864943.db2.gz WIEJLRAGOZFLMN-IUODEOHRSA-N 1 0 291.351 1.787 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598670706 343872399 /nfs/dbraw/zinc/87/23/99/343872399.db2.gz XJOVCDVISSXETC-LKFCYVNXSA-N 1 0 290.323 1.130 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598914340 343919675 /nfs/dbraw/zinc/91/96/75/343919675.db2.gz ASPDDZOTNPDHBA-JTQLQIEISA-N 1 0 284.291 1.839 20 5 CDBDRO C[C@@H]([NH2+]CCN1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599093251 343952608 /nfs/dbraw/zinc/95/26/08/343952608.db2.gz NJSRDGBWUWFUDJ-RISCZKNCSA-N 1 0 279.340 1.312 20 5 CDBDRO C[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000145193353 362285517 /nfs/dbraw/zinc/28/55/17/362285517.db2.gz RNZSWKASVCYPHW-UHFFFAOYSA-N 1 0 277.324 1.348 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC(F)(F)CC2)n1 ZINC000599552194 344080769 /nfs/dbraw/zinc/08/07/69/344080769.db2.gz XBSMTPXNEULPTF-UHFFFAOYSA-N 1 0 274.271 1.913 20 5 CDBDRO CCN(CC[NH3+])C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000599921480 344153280 /nfs/dbraw/zinc/15/32/80/344153280.db2.gz SKOHFXRZQRSXPL-LLVKDONJSA-N 1 0 294.355 1.954 20 5 CDBDRO CCN(CC[NH3+])C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000599907363 344154275 /nfs/dbraw/zinc/15/42/75/344154275.db2.gz MSZBEIRZBVKBCU-UHFFFAOYSA-N 1 0 296.327 1.094 20 5 CDBDRO C[NH+]1CC2(C1)CCN(C(=O)c1c(F)cccc1[N+](=O)[O-])C2 ZINC000601538123 344186063 /nfs/dbraw/zinc/18/60/63/344186063.db2.gz HCNFAJLFPXNWFO-UHFFFAOYSA-N 1 0 293.298 1.512 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)c21 ZINC000601980325 344306981 /nfs/dbraw/zinc/30/69/81/344306981.db2.gz IGGLBUPBIMJDCJ-JDICNCQASA-N 1 0 271.280 1.168 20 5 CDBDRO C[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000602433581 344425049 /nfs/dbraw/zinc/42/50/49/344425049.db2.gz MOHRPLRTLIHRPZ-SCZZXKLOSA-N 1 0 281.287 1.543 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000602597109 344503087 /nfs/dbraw/zinc/50/30/87/344503087.db2.gz UTVWLRLOCLZOGX-WPRPVWTQSA-N 1 0 297.742 1.739 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000602597600 344503523 /nfs/dbraw/zinc/50/35/23/344503523.db2.gz VWIZRJJCNMVLOS-KOLCDFICSA-N 1 0 263.297 1.465 20 5 CDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000602526187 344454528 /nfs/dbraw/zinc/45/45/28/344454528.db2.gz DDYJVCYWWBQWET-ZDUSSCGKSA-N 1 0 277.324 1.665 20 5 CDBDRO C[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000602513689 344460164 /nfs/dbraw/zinc/46/01/64/344460164.db2.gz ZNSQCWLLPLFSHT-VXNVDRBHSA-N 1 0 267.260 1.153 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000602534808 344470507 /nfs/dbraw/zinc/47/05/07/344470507.db2.gz KNTYEUVISMDBKN-UHFFFAOYSA-N 1 0 283.353 1.738 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000602594679 344486114 /nfs/dbraw/zinc/48/61/14/344486114.db2.gz CBXSYSNJOPFIQO-MWLCHTKSSA-N 1 0 263.297 1.085 20 5 CDBDRO CCOC1CC(O)(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602636469 344510243 /nfs/dbraw/zinc/51/02/43/344510243.db2.gz HPEBDKWINGPKGV-UHFFFAOYSA-N 1 0 294.351 1.657 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/C[NH+](C)C ZINC000265624357 362468164 /nfs/dbraw/zinc/46/81/64/362468164.db2.gz LHCSJSZLXBJSIR-SNAWJCMRSA-N 1 0 263.297 1.960 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000052131436 362472467 /nfs/dbraw/zinc/47/24/67/362472467.db2.gz FWFLTQSRDGEDSW-GFCCVEGCSA-N 1 0 297.330 1.993 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000602817866 344607868 /nfs/dbraw/zinc/60/78/68/344607868.db2.gz VCFDMRMOPHZPFA-GVXVVHGQSA-N 1 0 296.371 1.581 20 5 CDBDRO C[NH2+]C(C)(C)c1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000603162645 344724872 /nfs/dbraw/zinc/72/48/72/344724872.db2.gz OYFGKNIDQAYYEX-UHFFFAOYSA-N 1 0 275.312 1.689 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000128621283 344766568 /nfs/dbraw/zinc/76/65/68/344766568.db2.gz OYNSXIYEGVGPGM-QMTHXVAHSA-N 1 0 295.339 1.151 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000214043322 260226877 /nfs/dbraw/zinc/22/68/77/260226877.db2.gz JBWDAVXOIRABMV-YVMONPNESA-N 1 0 263.297 1.462 20 5 CDBDRO O=C(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)NCC1CC1 ZINC000040676152 345036005 /nfs/dbraw/zinc/03/60/05/345036005.db2.gz JYAOQFSPYNFVPS-UHFFFAOYSA-N 1 0 277.324 1.253 20 5 CDBDRO C[N@@H+](CCc1ccccc1O)CCn1ccc([N+](=O)[O-])n1 ZINC000344163811 362548181 /nfs/dbraw/zinc/54/81/81/362548181.db2.gz NNPMUXWETRZDAF-UHFFFAOYSA-N 1 0 290.323 1.671 20 5 CDBDRO CC[NH+](CC)CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000265713463 362587797 /nfs/dbraw/zinc/58/77/97/362587797.db2.gz WFRCUHIPKAZUMU-UHFFFAOYSA-N 1 0 277.324 1.826 20 5 CDBDRO CO[C@]1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000160280764 345773391 /nfs/dbraw/zinc/77/33/91/345773391.db2.gz OBHQPSDIWJEAQA-AWEZNQCLSA-N 1 0 280.324 1.532 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+](CCCO)C2CC2)c1 ZINC000609848181 346006648 /nfs/dbraw/zinc/00/66/48/346006648.db2.gz GTSBRFLFWNBEOS-UHFFFAOYSA-N 1 0 280.324 1.820 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000088147672 346013013 /nfs/dbraw/zinc/01/30/13/346013013.db2.gz FEVBRRLWLSKRAO-UHFFFAOYSA-N 1 0 265.313 1.633 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](n3ccnc3)C2)n1 ZINC000610485187 346291822 /nfs/dbraw/zinc/29/18/22/346291822.db2.gz VMTRENYFXGRAAB-LBPRGKRZSA-N 1 0 290.327 1.325 20 5 CDBDRO CN(c1nc2sccn2c1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000266056121 362710867 /nfs/dbraw/zinc/71/08/67/362710867.db2.gz XZFZCVMAQDPNGB-SECBINFHSA-N 1 0 295.368 1.834 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CO ZINC000121214221 362759493 /nfs/dbraw/zinc/75/94/93/362759493.db2.gz HPTKUIBZHGJYEB-VIFPVBQESA-N 1 0 254.286 1.464 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](CO)CC2CC2)c1 ZINC000611108202 346610206 /nfs/dbraw/zinc/61/02/06/346610206.db2.gz DNANNMUJCOVROP-LBPRGKRZSA-N 1 0 250.298 1.845 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])nc3)[C@@H]2C1 ZINC000611510292 346800958 /nfs/dbraw/zinc/80/09/58/346800958.db2.gz HMHXTXJJYNALCV-ZYHUDNBSSA-N 1 0 262.313 1.520 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000054460274 347822932 /nfs/dbraw/zinc/82/29/32/347822932.db2.gz FGGACMIYPYQNLO-SECBINFHSA-N 1 0 266.301 1.137 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccsc1 ZINC000061362683 349993614 /nfs/dbraw/zinc/99/36/14/349993614.db2.gz KLRULWJESAYEPX-BXKDBHETSA-N 1 0 296.352 1.565 20 5 CDBDRO NC(=O)c1ccc(C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000027268926 348662608 /nfs/dbraw/zinc/66/26/08/348662608.db2.gz DTKRYSCSNCOSQL-UHFFFAOYSA-N 1 0 263.297 1.680 20 5 CDBDRO C[N@H+](CCNC(=O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000063118149 348918895 /nfs/dbraw/zinc/91/88/95/348918895.db2.gz XICFNMLQFWZLRI-UHFFFAOYSA-N 1 0 293.323 1.184 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000615917721 348995943 /nfs/dbraw/zinc/99/59/43/348995943.db2.gz VLYUXZVLLXCSNE-VXGBXAGGSA-N 1 0 295.314 1.946 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](C)C2)c1 ZINC000266085694 362935989 /nfs/dbraw/zinc/93/59/89/362935989.db2.gz OOAMMNQUCFNYPY-LLVKDONJSA-N 1 0 277.324 1.585 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)[C@@H]1CCN(C)C1=O ZINC000072667054 349128172 /nfs/dbraw/zinc/12/81/72/349128172.db2.gz JBHUKNSRQLCGJB-GXFFZTMASA-N 1 0 277.324 1.818 20 5 CDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000090538421 180000226 /nfs/dbraw/zinc/00/02/26/180000226.db2.gz ITUVCLPVGWEUHJ-JTQLQIEISA-N 1 0 252.318 1.960 20 5 CDBDRO CC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCS1 ZINC000090551238 180002886 /nfs/dbraw/zinc/00/28/86/180002886.db2.gz OVTXBTFHYRTAQJ-GFCCVEGCSA-N 1 0 297.380 1.584 20 5 CDBDRO COCC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000105832056 186075782 /nfs/dbraw/zinc/07/57/82/186075782.db2.gz ZOWVYRXRVMRYLG-ZDUSSCGKSA-N 1 0 293.367 1.747 20 5 CDBDRO COC[C@H]1CCCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000364134020 362958539 /nfs/dbraw/zinc/95/85/39/362958539.db2.gz DDFGVKZAPSFUKI-LBPRGKRZSA-N 1 0 282.344 1.540 20 5 CDBDRO C[N@H+](C[C@@H](O)CNCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000312577149 350786210 /nfs/dbraw/zinc/78/62/10/350786210.db2.gz ABUCQTYCTKETEN-AWEZNQCLSA-N 1 0 279.340 1.140 20 5 CDBDRO C[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000078666650 350839478 /nfs/dbraw/zinc/83/94/78/350839478.db2.gz SFHXMRVFLZIYLF-JTQLQIEISA-N 1 0 265.313 1.503 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000156679949 351556380 /nfs/dbraw/zinc/55/63/80/351556380.db2.gz LEUGLPQUOZSNSA-UHFFFAOYSA-N 1 0 281.312 1.333 20 5 CDBDRO C[C@H](CCCC[NH3+])NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000291991983 198127549 /nfs/dbraw/zinc/12/75/49/198127549.db2.gz BGVFNQBVCXTWRA-LLVKDONJSA-N 1 0 295.339 1.607 20 5 CDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000292055600 198147817 /nfs/dbraw/zinc/14/78/17/198147817.db2.gz CASZYAOXNIXLJN-UHFFFAOYSA-N 1 0 280.324 1.820 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1csc([N+](=O)[O-])c1 ZINC000232231395 140220883 /nfs/dbraw/zinc/22/08/83/140220883.db2.gz DDFPTGXSNMGZSL-SECBINFHSA-N 1 0 269.326 1.528 20 5 CDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3csc([N+](=O)[O-])c3)C2)C1 ZINC000292281059 198229671 /nfs/dbraw/zinc/22/96/71/198229671.db2.gz QUSYNMZJDUBIHB-ZDUSSCGKSA-N 1 0 295.364 1.824 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154278033 188133083 /nfs/dbraw/zinc/13/30/83/188133083.db2.gz AMIKFJGVODYHHX-WFASDCNBSA-N 1 0 293.367 1.512 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000156669824 188275919 /nfs/dbraw/zinc/27/59/19/188275919.db2.gz LPHXZBVUTITADD-SNVBAGLBSA-N 1 0 279.296 1.037 20 5 CDBDRO COc1cc(C(=O)NC(C)(C)C[NH3+])ccc1[N+](=O)[O-] ZINC000156702447 188277430 /nfs/dbraw/zinc/27/74/30/188277430.db2.gz UGXUNONYKMZMRW-UHFFFAOYSA-N 1 0 267.285 1.071 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000157161531 188301356 /nfs/dbraw/zinc/30/13/56/188301356.db2.gz WXKYYJBPBRVXLV-GFCCVEGCSA-N 1 0 299.758 1.890 20 5 CDBDRO Cc1cc(C(=O)N2CC([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000158257349 188366297 /nfs/dbraw/zinc/36/62/97/188366297.db2.gz PVSOJRCRVMUMRU-UHFFFAOYSA-N 1 0 263.297 1.289 20 5 CDBDRO Cc1c(CC(=O)NCCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000158797086 188394934 /nfs/dbraw/zinc/39/49/34/188394934.db2.gz GAXAJLKFLSVROU-UHFFFAOYSA-N 1 0 279.340 1.514 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000160663635 188485263 /nfs/dbraw/zinc/48/52/63/188485263.db2.gz IGRALWJVXALHOS-MRVPVSSYSA-N 1 0 269.326 1.399 20 5 CDBDRO O=[N+]([O-])c1cccc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000112839622 366160244 /nfs/dbraw/zinc/16/02/44/366160244.db2.gz ASELPBHSONJWDK-CABCVRRESA-N 1 0 291.351 1.548 20 5 CDBDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000411934207 363383369 /nfs/dbraw/zinc/38/33/69/363383369.db2.gz KGVNSALNDOSNDL-JTQLQIEISA-N 1 0 295.314 1.644 20 5 CDBDRO C[N@H+]1CC=C(CNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000271837477 191359554 /nfs/dbraw/zinc/35/95/54/191359554.db2.gz HSTJABXSSKVKKI-UHFFFAOYSA-N 1 0 281.337 1.648 20 5 CDBDRO C[N@H+]1CC=C(CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000271880585 191385767 /nfs/dbraw/zinc/38/57/67/191385767.db2.gz MZNZHPLKTDJRIW-UHFFFAOYSA-N 1 0 275.308 1.587 20 5 CDBDRO CC[C@H](CCO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000134395788 356241144 /nfs/dbraw/zinc/24/11/44/356241144.db2.gz XHDXHFMGACERRA-GFCCVEGCSA-N 1 0 252.314 1.888 20 5 CDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000237060151 363578269 /nfs/dbraw/zinc/57/82/69/363578269.db2.gz OARJQJGPHMUUST-JTQLQIEISA-N 1 0 292.339 1.143 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000048546480 357190062 /nfs/dbraw/zinc/19/00/62/357190062.db2.gz PUDDAFZQJICMLA-UHFFFAOYSA-N 1 0 279.340 1.975 20 5 CDBDRO CCC[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261878325 357338652 /nfs/dbraw/zinc/33/86/52/357338652.db2.gz TWCZQPWGEVNMFX-SECBINFHSA-N 1 0 251.286 1.921 20 5 CDBDRO Nc1ccc(-c2nc(C3([NH3+])CCCC3)no2)cc1[N+](=O)[O-] ZINC000261871625 357338683 /nfs/dbraw/zinc/33/86/83/357338683.db2.gz VHWNWBOXQJSORO-UHFFFAOYSA-N 1 0 289.295 1.955 20 5 CDBDRO C[NH2+]CCC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000261967487 357348366 /nfs/dbraw/zinc/34/83/66/357348366.db2.gz BRDUTIRTPJOBDG-UHFFFAOYSA-N 1 0 281.360 1.113 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000264639578 357581622 /nfs/dbraw/zinc/58/16/22/357581622.db2.gz QDNBUCRMVWQSPE-NSHDSACASA-N 1 0 292.339 1.075 20 5 CDBDRO CN(CCOc1ccc([N+](=O)[O-])cc1)CC[N@H+](C)C1CC1 ZINC000186779387 357687984 /nfs/dbraw/zinc/68/79/84/357687984.db2.gz YOFGNHBFFMPVOP-UHFFFAOYSA-N 1 0 293.367 2.000 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000360991655 357767164 /nfs/dbraw/zinc/76/71/64/357767164.db2.gz VCEUWTVEDZVREX-GFCCVEGCSA-N 1 0 295.387 1.896 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2C[NH2+]CC2(C)C)c1F ZINC001579642794 1172233183 /nfs/dbraw/zinc/23/31/83/1172233183.db2.gz WFRFLXIRSAOGBX-NSHDSACASA-N 1 0 295.314 1.770 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(CN(CCO)C3CC3)nc2c1 ZINC000361272792 358136745 /nfs/dbraw/zinc/13/67/45/358136745.db2.gz LUYSXQZBQMIUKQ-UHFFFAOYSA-N 1 0 276.296 1.428 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000192494221 358208823 /nfs/dbraw/zinc/20/88/23/358208823.db2.gz KLNJXSRHBXMDAS-BETUJISGSA-N 1 0 289.335 1.537 20 5 CDBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])s1 ZINC000294776901 199177579 /nfs/dbraw/zinc/17/75/79/199177579.db2.gz GJUMOKDCUAEGPD-VIFPVBQESA-N 1 0 283.353 1.918 20 5 CDBDRO Cc1cnc(N[C@@H]2CCC[N@H+](CCCO)C2)c([N+](=O)[O-])c1 ZINC000294842984 199208304 /nfs/dbraw/zinc/20/83/04/199208304.db2.gz ADAWZRZWXLWOAP-GFCCVEGCSA-N 1 0 294.355 1.557 20 5 CDBDRO COC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000541593809 358400397 /nfs/dbraw/zinc/40/03/97/358400397.db2.gz BYTYMQPUAIGEBB-GFCCVEGCSA-N 1 0 295.339 1.454 20 5 CDBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000361657644 358403222 /nfs/dbraw/zinc/40/32/22/358403222.db2.gz DDOBPDXNGPJMIM-JQWIXIFHSA-N 1 0 250.298 1.655 20 5 CDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@@H](O)C1 ZINC000294890335 199234174 /nfs/dbraw/zinc/23/41/74/199234174.db2.gz QTWZGSNZTPCUPY-XWIASGKRSA-N 1 0 293.323 1.425 20 5 CDBDRO COC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000541595421 358432997 /nfs/dbraw/zinc/43/29/97/358432997.db2.gz NMXHZJMRSSOLNQ-VIFPVBQESA-N 1 0 256.306 1.089 20 5 CDBDRO C[C@H](CNc1ncc([N+](=O)[O-])s1)Cn1ccnc1 ZINC000195509612 358433613 /nfs/dbraw/zinc/43/36/13/358433613.db2.gz ZPQHNKRUKVGVGA-MRVPVSSYSA-N 1 0 267.314 1.996 20 5 CDBDRO CO[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000132211031 358526856 /nfs/dbraw/zinc/52/68/56/358526856.db2.gz UUMFOCQISIQGGU-CYBMUJFWSA-N 1 0 266.297 1.490 20 5 CDBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341597110 358682061 /nfs/dbraw/zinc/68/20/61/358682061.db2.gz XJWGJAUPJLOILJ-NEPJUHHUSA-N 1 0 279.340 1.877 20 5 CDBDRO COc1ccc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176191183 358731562 /nfs/dbraw/zinc/73/15/62/358731562.db2.gz RQPDPWBBRPOQOK-UHFFFAOYSA-N 1 0 290.323 1.932 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000566071086 366474092 /nfs/dbraw/zinc/47/40/92/366474092.db2.gz GMJRCZMDBDSTQR-KOLCDFICSA-N 1 0 290.323 1.001 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](C)C1 ZINC000380739430 358889911 /nfs/dbraw/zinc/88/99/11/358889911.db2.gz LGTYRYMMAIAPFI-LLVKDONJSA-N 1 0 281.360 1.873 20 5 CDBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1(O)CCCC1 ZINC000152144099 366502542 /nfs/dbraw/zinc/50/25/42/366502542.db2.gz BDEDUWYADGHRAU-CQSZACIVSA-N 1 0 294.351 1.865 20 5 CDBDRO [NH3+]C1(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000230064173 283406401 /nfs/dbraw/zinc/40/64/01/283406401.db2.gz XMHCIDHWDMDTNQ-UHFFFAOYSA-N 1 0 283.715 1.859 20 5 CDBDRO CC(C)[C@H](CO)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000342238497 358973400 /nfs/dbraw/zinc/97/34/00/358973400.db2.gz SRJMOZOHGGWOPT-LBPRGKRZSA-N 1 0 252.314 1.949 20 5 CDBDRO CC(C)(C(=O)NCC1([NH3+])CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000342578028 359119765 /nfs/dbraw/zinc/11/97/65/359119765.db2.gz BZLBNQCHJXVJKK-UHFFFAOYSA-N 1 0 291.351 1.870 20 5 CDBDRO CC[N@@H+]1CC[C@H](N(C)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000330965005 359128794 /nfs/dbraw/zinc/12/87/94/359128794.db2.gz AIGOWOWGQUPREY-STQMWFEESA-N 1 0 295.387 1.596 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC(C)(C)[NH+](C)C ZINC000288018764 359151389 /nfs/dbraw/zinc/15/13/89/359151389.db2.gz BWIJDWFLFSMAKX-UHFFFAOYSA-N 1 0 269.349 1.872 20 5 CDBDRO C[C@@H](Nc1ccc([N+](=O)[O-])nc1)[C@H]1CCC[NH2+]C1 ZINC000050163712 359352439 /nfs/dbraw/zinc/35/24/39/359352439.db2.gz SRXHFUMHIGMGDH-ZJUUUORDSA-N 1 0 250.302 1.790 20 5 CDBDRO CNc1ccc(C(=O)N(C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000572036370 359784941 /nfs/dbraw/zinc/78/49/41/359784941.db2.gz OQPSHAKLZZXRRI-UHFFFAOYSA-N 1 0 278.312 1.198 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)CC[NH2+]1 ZINC000235445817 360121354 /nfs/dbraw/zinc/12/13/54/360121354.db2.gz DDDLCTCWXQGOBR-HTQZYQBOSA-N 1 0 269.326 1.527 20 5 CDBDRO C[NH2+]CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418232204 283531028 /nfs/dbraw/zinc/53/10/28/283531028.db2.gz MIDBLGOUGPEPFK-VIFPVBQESA-N 1 0 266.301 1.174 20 5 CDBDRO COCC[N@@H+]1CC[C@H](Nc2nccc(C)c2[N+](=O)[O-])C1 ZINC000265174180 360219448 /nfs/dbraw/zinc/21/94/48/360219448.db2.gz HSKLMMBDVPINCX-NSHDSACASA-N 1 0 280.328 1.431 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)C(F)F)c(Cl)c1 ZINC000230144408 360251323 /nfs/dbraw/zinc/25/13/23/360251323.db2.gz POGLVGROBOVKCL-SECBINFHSA-N 1 0 280.658 1.964 20 5 CDBDRO Nc1c(F)c(N2CC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000548121656 360277344 /nfs/dbraw/zinc/27/73/44/360277344.db2.gz IOOHEOOIERYJQR-SNVBAGLBSA-N 1 0 294.330 1.991 20 5 CDBDRO COC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)OC ZINC000227706104 360683681 /nfs/dbraw/zinc/68/36/81/360683681.db2.gz FRVBMIAOJRZJQU-GFCCVEGCSA-N 1 0 254.286 1.346 20 5 CDBDRO Cc1sc(C(=O)N2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000178559969 189127212 /nfs/dbraw/zinc/12/72/12/189127212.db2.gz RUVSVDUQWXUQPY-QMMMGPOBSA-N 1 0 269.326 1.386 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000147900438 360730431 /nfs/dbraw/zinc/73/04/31/360730431.db2.gz TVYXJBIOGPCKMB-SNVBAGLBSA-N 1 0 283.715 1.682 20 5 CDBDRO C[NH2+]CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178707223 189139048 /nfs/dbraw/zinc/13/90/48/189139048.db2.gz OBRJDAYAIWZDKD-UHFFFAOYSA-N 1 0 279.321 1.759 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@]1(O)CCOC1 ZINC000179024223 189162658 /nfs/dbraw/zinc/16/26/58/189162658.db2.gz QKSUUBRZSXSTHR-GFCCVEGCSA-N 1 0 286.715 1.489 20 5 CDBDRO C[C@@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000572992572 360823492 /nfs/dbraw/zinc/82/34/92/360823492.db2.gz SEPODAPLIJDUCD-JTQLQIEISA-N 1 0 286.353 1.160 20 5 CDBDRO [NH3+][C@H]1CC[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000150845030 283640929 /nfs/dbraw/zinc/64/09/29/283640929.db2.gz GCVOHSOLDGWAMV-QWRGUYRKSA-N 1 0 275.308 1.611 20 5 CDBDRO CSc1ccc(C(=O)N2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000160311981 361409007 /nfs/dbraw/zinc/40/90/07/361409007.db2.gz BPUPWTIQQDLNBH-SNVBAGLBSA-N 1 0 295.364 1.880 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](O)C2)c1 ZINC000269711989 239001216 /nfs/dbraw/zinc/00/12/16/239001216.db2.gz PXZRGBIXEUMUCZ-QWHCGFSZSA-N 1 0 266.297 1.085 20 5 CDBDRO C[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000088059220 364048387 /nfs/dbraw/zinc/04/83/87/364048387.db2.gz LRVLXEYYBVFNGH-QMMMGPOBSA-N 1 0 283.715 1.682 20 5 CDBDRO C[C@](C[NH3+])(NC(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000148938103 364526672 /nfs/dbraw/zinc/52/66/72/364526672.db2.gz HZDPINPVXLESPS-LLVKDONJSA-N 1 0 269.326 1.514 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000573073813 364918041 /nfs/dbraw/zinc/91/80/41/364918041.db2.gz FWQKLOXUDUBPLC-SECBINFHSA-N 1 0 266.301 1.131 20 5 CDBDRO CO[C@H]1COC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000290247376 365221100 /nfs/dbraw/zinc/22/11/00/365221100.db2.gz ZUNSEMYNNZYKBA-RYUDHWBXSA-N 1 0 252.270 1.098 20 5 CDBDRO COC[C@H](CO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000564225349 365396150 /nfs/dbraw/zinc/39/61/50/365396150.db2.gz FQQRGQKPNJVGIN-JOYOIKCWSA-N 1 0 266.297 1.179 20 5 CDBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2nn(C)cc2[N+](=O)[O-])n1 ZINC000414613190 241276246 /nfs/dbraw/zinc/27/62/46/241276246.db2.gz FRGPEJUMXUOVLT-SSDOTTSWSA-N 1 0 280.288 1.424 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000414656609 241302878 /nfs/dbraw/zinc/30/28/78/241302878.db2.gz IVYCGAWQFONKCI-JTQLQIEISA-N 1 0 278.312 1.777 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000414669652 241311700 /nfs/dbraw/zinc/31/17/00/241311700.db2.gz ZZDGFHNDLVOATE-JTQLQIEISA-N 1 0 278.312 1.777 20 5 CDBDRO C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000094339526 366995049 /nfs/dbraw/zinc/99/50/49/366995049.db2.gz SWXUKJSNEYTDMV-CMPLNLGQSA-N 1 0 277.324 1.333 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417236875 242374929 /nfs/dbraw/zinc/37/49/29/242374929.db2.gz VJEUTINIVYIWFP-JTQLQIEISA-N 1 0 280.328 1.031 20 5 CDBDRO CCC[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000330604787 203028242 /nfs/dbraw/zinc/02/82/42/203028242.db2.gz YOYXSWJPLJLLDA-UHFFFAOYSA-N 1 0 295.343 1.264 20 5 CDBDRO COc1cc(C(=O)N[C@@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000287205099 369122612 /nfs/dbraw/zinc/12/26/12/369122612.db2.gz NGBRCIYPMVOUDM-VIFPVBQESA-N 1 0 295.339 1.592 20 5 CDBDRO Cc1cc(NC[C@@H]2CCC[C@@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000420292160 244035502 /nfs/dbraw/zinc/03/55/02/244035502.db2.gz WMYWYNMDFMDSOV-GHMZBOCLSA-N 1 0 264.329 1.650 20 5 CDBDRO CN(CCOc1ccc([N+](=O)[O-])cc1)C1(C[NH3+])CCC1 ZINC000420337135 244106455 /nfs/dbraw/zinc/10/64/55/244106455.db2.gz WKWIYAQDMGBASN-UHFFFAOYSA-N 1 0 279.340 1.787 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420337808 244107036 /nfs/dbraw/zinc/10/70/36/244107036.db2.gz KDNZSNREMXHHHP-IINYFYTJSA-N 1 0 279.315 1.918 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420373909 244163795 /nfs/dbraw/zinc/16/37/95/244163795.db2.gz ZPAXLGIVQMEXEA-LBPRGKRZSA-N 1 0 294.355 1.496 20 5 CDBDRO Cc1nc(N(C)C[C@H]2CCC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC000420630762 244296525 /nfs/dbraw/zinc/29/65/25/244296525.db2.gz FPRUROQGLWUFAM-SNVBAGLBSA-N 1 0 265.317 1.224 20 5 CDBDRO C[C@H]1[C@@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000420613697 244280516 /nfs/dbraw/zinc/28/05/16/244280516.db2.gz SMELXBACSPNITA-ONGXEEELSA-N 1 0 292.339 1.588 20 5 CDBDRO COc1ccc(OCC[N@@H+]2C[C@@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000351836725 369785417 /nfs/dbraw/zinc/78/54/17/369785417.db2.gz WYMHDTRBZSWPJN-ZWNOBZJWSA-N 1 0 296.323 1.295 20 5 CDBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000414882454 371015975 /nfs/dbraw/zinc/01/59/75/371015975.db2.gz MNPXINDGQLRZAE-SECBINFHSA-N 1 0 255.705 1.700 20 5 CDBDRO C[C@@H](C[NH3+])NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414944743 371137792 /nfs/dbraw/zinc/13/77/92/371137792.db2.gz OPZHQELOENPBGK-ZETCQYMHSA-N 1 0 275.255 1.633 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[C@H](C)[NH3+] ZINC000422777506 245244198 /nfs/dbraw/zinc/24/41/98/245244198.db2.gz GFIGLVPNSYFBST-VIFPVBQESA-N 1 0 281.312 1.461 20 5 CDBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000266229013 371382820 /nfs/dbraw/zinc/38/28/20/371382820.db2.gz SXXNWTUEGDTYHR-JTQLQIEISA-N 1 0 294.359 1.135 20 5 CDBDRO COCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000298682453 372237327 /nfs/dbraw/zinc/23/73/27/372237327.db2.gz AOWRTUWMERVPPC-UHFFFAOYSA-N 1 0 279.340 1.672 20 5 CDBDRO CS[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000296038655 372491707 /nfs/dbraw/zinc/49/17/07/372491707.db2.gz AJYZQOTUAOPHAF-VIFPVBQESA-N 1 0 256.331 1.229 20 5 CDBDRO Cc1cnc(OC[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000187691666 373220401 /nfs/dbraw/zinc/22/04/01/373220401.db2.gz PCCNCMHYWUJKKG-JTQLQIEISA-N 1 0 251.286 1.629 20 5 CDBDRO C[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000269657683 373370273 /nfs/dbraw/zinc/37/02/73/373370273.db2.gz IUIVKPJGXWBSIO-GXFFZTMASA-N 1 0 266.297 1.349 20 5 CDBDRO Cc1c(CC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000423528135 245890686 /nfs/dbraw/zinc/89/06/86/245890686.db2.gz NCPIMCANVVSLCZ-WCQYABFASA-N 1 0 291.351 1.641 20 5 CDBDRO COc1ccc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000368384662 373836966 /nfs/dbraw/zinc/83/69/66/373836966.db2.gz JPMMDCJPDOTHDQ-UWVGGRQHSA-N 1 0 297.286 1.033 20 5 CDBDRO COCC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000120838287 374065099 /nfs/dbraw/zinc/06/50/99/374065099.db2.gz NVWZZSBHLMFFHK-UHFFFAOYSA-N 1 0 279.340 1.359 20 5 CDBDRO Cc1c(CC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000423751777 246028286 /nfs/dbraw/zinc/02/82/86/246028286.db2.gz WJHWGGHWKDLNIR-YPMHNXCESA-N 1 0 291.351 1.689 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(C)CC1 ZINC000421738798 374327311 /nfs/dbraw/zinc/32/73/11/374327311.db2.gz WLZJCFWRXBAAFE-UHFFFAOYSA-N 1 0 277.324 1.599 20 5 CDBDRO C[NH+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000079184275 374392419 /nfs/dbraw/zinc/39/24/19/374392419.db2.gz OQHBXHKWUASDRR-UHFFFAOYSA-N 1 0 279.340 1.611 20 5 CDBDRO COCC[N@H+](C)CCCNc1nccc(C)c1[N+](=O)[O-] ZINC000115515884 374410586 /nfs/dbraw/zinc/41/05/86/374410586.db2.gz YJAAXHJCBKNHEB-UHFFFAOYSA-N 1 0 282.344 1.678 20 5 CDBDRO CC[N@H+](CCOC)CCOc1cccc([N+](=O)[O-])c1 ZINC000299122583 374416492 /nfs/dbraw/zinc/41/64/92/374416492.db2.gz HCQCYCZZBMZLLJ-UHFFFAOYSA-N 1 0 268.313 1.942 20 5 CDBDRO CCC[N@H+](CC)CCNc1c([N+](=O)[O-])ncn1C ZINC000080677986 374475805 /nfs/dbraw/zinc/47/58/05/374475805.db2.gz HOLWFYYUSYZYOI-UHFFFAOYSA-N 1 0 255.322 1.472 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1COCCO1 ZINC000531683917 374505968 /nfs/dbraw/zinc/50/59/68/374505968.db2.gz NURAUPFGOBXAOG-WCQYABFASA-N 1 0 280.324 1.969 20 5 CDBDRO CCOC[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000069278540 374541071 /nfs/dbraw/zinc/54/10/71/374541071.db2.gz KMCIEOYPKVKLNE-LBPRGKRZSA-N 1 0 254.286 1.082 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000429144634 374568334 /nfs/dbraw/zinc/56/83/34/374568334.db2.gz VEXPSLJDWDZGKC-LLVKDONJSA-N 1 0 266.301 1.011 20 5 CDBDRO Cc1cc(C(=O)NC[C@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000070447236 374662838 /nfs/dbraw/zinc/66/28/38/374662838.db2.gz NAMSLXGSUIGONS-NSHDSACASA-N 1 0 265.313 1.616 20 5 CDBDRO C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000154766713 374747691 /nfs/dbraw/zinc/74/76/91/374747691.db2.gz KBHOOURRFCDWEG-ZANVPECISA-N 1 0 283.303 1.865 20 5 CDBDRO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000094340200 374830782 /nfs/dbraw/zinc/83/07/82/374830782.db2.gz FFWHYATXGKMYJE-CABZTGNLSA-N 1 0 263.297 1.404 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000277411117 374785705 /nfs/dbraw/zinc/78/57/05/374785705.db2.gz HWEBJPFNBYCFPF-SNVBAGLBSA-N 1 0 293.323 1.285 20 5 CDBDRO CO[C@@]1(C)CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000279398836 374897743 /nfs/dbraw/zinc/89/77/43/374897743.db2.gz UXXDBRNVVZIFRD-AWEZNQCLSA-N 1 0 295.339 1.257 20 5 CDBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330559707 374863714 /nfs/dbraw/zinc/86/37/14/374863714.db2.gz HMIOTLKDPACFRN-MNOVXSKESA-N 1 0 294.355 1.773 20 5 CDBDRO COc1ccc(C[NH2+][C@@H](C)C(=O)NCCF)cc1[N+](=O)[O-] ZINC000282600324 375095259 /nfs/dbraw/zinc/09/52/59/375095259.db2.gz HLKFTCMPNBHMJO-VIFPVBQESA-N 1 0 299.302 1.167 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161982709 375248321 /nfs/dbraw/zinc/24/83/21/375248321.db2.gz JBQBZLRBYCITKQ-VHSXEESVSA-N 1 0 293.323 1.603 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000131576807 375290385 /nfs/dbraw/zinc/29/03/85/375290385.db2.gz PXTJVIOTSMQCNR-AAEUAGOBSA-N 1 0 263.341 1.806 20 5 CDBDRO [NH3+]CC[C@H](NC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C(F)F ZINC000383437308 375268574 /nfs/dbraw/zinc/26/85/74/375268574.db2.gz DSAWYBJRLDRLEE-WYGGZMRJSA-N 1 0 299.277 1.707 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)O ZINC000344824230 375532203 /nfs/dbraw/zinc/53/22/03/375532203.db2.gz YFYFQSFWSZDDLW-RUYJGKKWSA-N 1 0 250.298 1.969 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000132780689 375590569 /nfs/dbraw/zinc/59/05/69/375590569.db2.gz IDAXKLCPSLMDRE-LLVKDONJSA-N 1 0 293.323 1.184 20 5 CDBDRO COc1cc(C[NH2+]C[C@H](CO)C2CC2)c([N+](=O)[O-])cc1O ZINC000353106379 375576232 /nfs/dbraw/zinc/57/62/32/375576232.db2.gz HHELGTPGKRWUDL-LLVKDONJSA-N 1 0 296.323 1.417 20 5 CDBDRO CCC[C@@](C)([NH3+])C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353475253 375614130 /nfs/dbraw/zinc/61/41/30/375614130.db2.gz WTQGQALVNTXFQK-CQSZACIVSA-N 1 0 295.339 1.737 20 5 CDBDRO COc1cc(N2CCC([NH3+])CC2)c(F)cc1[N+](=O)[O-] ZINC000227859685 375634159 /nfs/dbraw/zinc/63/41/59/375634159.db2.gz BMDPUTHNIVYEET-UHFFFAOYSA-N 1 0 269.276 1.670 20 5 CDBDRO Cc1ccnc(N2C[C@@H](C[NH3+])C[C@H]2C)c1[N+](=O)[O-] ZINC000228083463 375688352 /nfs/dbraw/zinc/68/83/52/375688352.db2.gz LYCKPBUDIVKVHB-NXEZZACHSA-N 1 0 250.302 1.472 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCN2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428040579 247233157 /nfs/dbraw/zinc/23/31/57/247233157.db2.gz WRUOGAWMRXUPRG-WFASDCNBSA-N 1 0 291.351 1.657 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)CC(F)F)cs1 ZINC000428658592 247342448 /nfs/dbraw/zinc/34/24/48/247342448.db2.gz XOGODXUHKMDVGX-ZETCQYMHSA-N 1 0 266.269 1.762 20 5 CDBDRO C[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000358248952 375958501 /nfs/dbraw/zinc/95/85/01/375958501.db2.gz IQIJVDXEAHNOFK-UWVGGRQHSA-N 1 0 286.353 1.679 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000229641521 375933572 /nfs/dbraw/zinc/93/35/72/375933572.db2.gz UNDDYWHGDSBYLD-CYBMUJFWSA-N 1 0 266.297 1.144 20 5 CDBDRO Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000307914435 376320217 /nfs/dbraw/zinc/32/02/17/376320217.db2.gz NRRCVZWDCZMYSH-GFCCVEGCSA-N 1 0 277.324 1.774 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](O)C23CCCC3)n1 ZINC000433300241 248021641 /nfs/dbraw/zinc/02/16/41/248021641.db2.gz CVXKFSYBOLCHGA-NSHDSACASA-N 1 0 280.328 1.171 20 5 CDBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000073992939 376773673 /nfs/dbraw/zinc/77/36/73/376773673.db2.gz DEUPCRUXUKPNPU-VHSXEESVSA-N 1 0 295.364 1.965 20 5 CDBDRO C[C@H]1[NH2+]CCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000436052206 248218180 /nfs/dbraw/zinc/21/81/80/248218180.db2.gz CGIHWYWFLCAWNQ-VXGBXAGGSA-N 1 0 279.340 1.656 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000571771364 377517010 /nfs/dbraw/zinc/51/70/10/377517010.db2.gz DCXYZWWWATTYOH-LLVKDONJSA-N 1 0 278.312 1.729 20 5 CDBDRO O=C(N[C@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc([N+](=O)[O-])c1Cl ZINC001580755804 1172532225 /nfs/dbraw/zinc/53/22/25/1172532225.db2.gz WUKDVTROGNCJJA-JEZHCXPESA-N 1 0 295.726 1.871 20 5 CDBDRO O=C(NCc1ccccc1[N+](=O)[O-])C12CCC[NH+]1CCC2 ZINC000278567540 194048519 /nfs/dbraw/zinc/04/85/19/194048519.db2.gz IDRMELMXJPTTOM-UHFFFAOYSA-N 1 0 289.335 1.839 20 5 CDBDRO CC1(C)CCC[N@H+](CCNc2ccc([N+](=O)[O-])cn2)C1 ZINC000443970120 250067759 /nfs/dbraw/zinc/06/77/59/250067759.db2.gz ZODLNQVYAOEMRP-UHFFFAOYSA-N 1 0 278.356 1.946 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCC[C@H]1CCC[NH2+]1 ZINC000444261319 250110463 /nfs/dbraw/zinc/11/04/63/250110463.db2.gz FIRMSNZONYGEGG-CYBMUJFWSA-N 1 0 291.351 1.786 20 5 CDBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174721369 379558173 /nfs/dbraw/zinc/55/81/73/379558173.db2.gz XBZXMWSTQASQBK-XBFCOCLRSA-N 1 0 296.371 1.663 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)O ZINC000449152152 250721789 /nfs/dbraw/zinc/72/17/89/250721789.db2.gz ZYPSGJIBPQMTKD-SNVBAGLBSA-N 1 0 252.314 1.886 20 5 CDBDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279219982 194338568 /nfs/dbraw/zinc/33/85/68/194338568.db2.gz HZMLTXWWNNHZGE-BXKDBHETSA-N 1 0 277.324 1.972 20 5 CDBDRO O=[N+]([O-])c1cccnc1N[C@@H](CO)C[NH+]1CCCCC1 ZINC000288845191 197178112 /nfs/dbraw/zinc/17/81/12/197178112.db2.gz CVSDGDLKYUOIJV-LLVKDONJSA-N 1 0 280.328 1.249 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCCCO ZINC000487160504 252875724 /nfs/dbraw/zinc/87/57/24/252875724.db2.gz OPLLMKZBQZVHGU-ALCCZGGFSA-N 1 0 250.298 1.970 20 5 CDBDRO O=[N+]([O-])c1cnc(NCC23CCC[NH+]2CCC3)nc1 ZINC000281047101 195083087 /nfs/dbraw/zinc/08/30/87/195083087.db2.gz WKBIDGLTSVQCKO-UHFFFAOYSA-N 1 0 263.301 1.425 20 5 CDBDRO C[NH+](C)C/C=C/C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000491880153 253111638 /nfs/dbraw/zinc/11/16/38/253111638.db2.gz BXJJEVSDCQOQBY-QPJJXVBHSA-N 1 0 263.297 1.329 20 5 CDBDRO C[NH+](C)C/C=C\C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000491996886 253135655 /nfs/dbraw/zinc/13/56/55/253135655.db2.gz DSDLWSCBFIARPM-YVMONPNESA-N 1 0 277.324 1.371 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCOCCO)C1CC1 ZINC000159097791 285161996 /nfs/dbraw/zinc/16/19/96/285161996.db2.gz DKJXQXWCEITWBA-AWEZNQCLSA-N 1 0 294.351 1.514 20 5 CDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000288244389 197035529 /nfs/dbraw/zinc/03/55/29/197035529.db2.gz FUXRWRLMZZMEHS-MNOVXSKESA-N 1 0 292.339 1.622 20 5 CDBDRO CC[C@@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000285843102 390184768 /nfs/dbraw/zinc/18/47/68/390184768.db2.gz TVWZHCSGOBNHJZ-NSHDSACASA-N 1 0 291.311 1.750 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261588742 390475923 /nfs/dbraw/zinc/47/59/23/390475923.db2.gz KINUSMFNXNLMBS-NWDGAFQWSA-N 1 0 261.325 1.949 20 5 CDBDRO COCC[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000105790986 390519501 /nfs/dbraw/zinc/51/95/01/390519501.db2.gz OPCQPRHXPACARW-GFCCVEGCSA-N 1 0 279.340 1.752 20 5 CDBDRO COC1([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)CCC1 ZINC000412029152 390683960 /nfs/dbraw/zinc/68/39/60/390683960.db2.gz XTINVTOSOUZJKH-SECBINFHSA-N 1 0 268.317 1.376 20 5 CDBDRO C[C@H](CCO)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283976494 195954699 /nfs/dbraw/zinc/95/46/99/195954699.db2.gz GUDHIGDFSHWEHQ-ZJUUUORDSA-N 1 0 267.329 1.846 20 5 CDBDRO CCC[NH+]1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000178164127 390831312 /nfs/dbraw/zinc/83/13/12/390831312.db2.gz LTZNEDCONNLVPI-UHFFFAOYSA-N 1 0 264.329 1.830 20 5 CDBDRO C[C@H](NC(=O)NCC[NH+]1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000337394305 391137037 /nfs/dbraw/zinc/13/70/37/391137037.db2.gz IJOVXUQIQQYJKJ-NSHDSACASA-N 1 0 292.339 1.661 20 5 CDBDRO C[N@H+](CCCCNc1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000413349556 391204563 /nfs/dbraw/zinc/20/45/63/391204563.db2.gz SNXRAVPVXVUVMP-UHFFFAOYSA-N 1 0 264.329 1.698 20 5 CDBDRO [NH3+]C1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000149398777 391214760 /nfs/dbraw/zinc/21/47/60/391214760.db2.gz RUOHFYNSUSQOBM-UHFFFAOYSA-N 1 0 256.693 1.571 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415582442 391467660 /nfs/dbraw/zinc/46/76/60/391467660.db2.gz PAKUYOFZMGJDSI-IWIIMEHWSA-N 1 0 290.323 1.551 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415635545 391470233 /nfs/dbraw/zinc/47/02/33/391470233.db2.gz UXMZYWFGWJNFMP-RKDXNWHRSA-N 1 0 296.302 1.935 20 5 CDBDRO CCCc1n[nH]c(C(=O)NC[C@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC000236884777 391549671 /nfs/dbraw/zinc/54/96/71/391549671.db2.gz YTYWDFLKJVGAAL-SECBINFHSA-N 1 0 295.343 1.142 20 5 CDBDRO O=[N+]([O-])c1cc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)cs1 ZINC000437789719 391646855 /nfs/dbraw/zinc/64/68/55/391646855.db2.gz XZOSCMBLIZKUKC-PHIMTYICSA-N 1 0 267.354 1.983 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000519637222 391673963 /nfs/dbraw/zinc/67/39/63/391673963.db2.gz BORQPNPQAKQABY-AOOOYVTPSA-N 1 0 281.360 1.648 20 5 CDBDRO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C1CCOCC1 ZINC000341996639 130188174 /nfs/dbraw/zinc/18/81/74/130188174.db2.gz SQIIRKJVWUKWIA-VIFPVBQESA-N 1 0 268.317 1.233 20 5 CDBDRO C[NH+]1CCC(CNc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000342115715 130270704 /nfs/dbraw/zinc/27/07/04/130270704.db2.gz NHXUGKAENJLGEA-UHFFFAOYSA-N 1 0 292.339 1.447 20 5 CDBDRO [NH3+]C1(CNCc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000342130990 130289583 /nfs/dbraw/zinc/28/95/83/130289583.db2.gz OGAFMMWBYQHXIR-UHFFFAOYSA-N 1 0 253.277 1.705 20 5 CDBDRO CC(C)(O)C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000189906822 391809297 /nfs/dbraw/zinc/80/92/97/391809297.db2.gz YSICNQSPGPGMHV-UHFFFAOYSA-N 1 0 268.317 1.027 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357043537 391937307 /nfs/dbraw/zinc/93/73/07/391937307.db2.gz GMHZJUMUNDLYBG-OCCSQVGLSA-N 1 0 275.352 1.945 20 5 CDBDRO C[C@@H]([N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O)C1(C)CC1 ZINC000090552067 391912539 /nfs/dbraw/zinc/91/25/39/391912539.db2.gz FPDLZFSRDWMYPR-LLVKDONJSA-N 1 0 279.340 1.877 20 5 CDBDRO C[NH+](C)C1(CNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000416303034 391984930 /nfs/dbraw/zinc/98/49/30/391984930.db2.gz QKGQLXPRVLGXQQ-UHFFFAOYSA-N 1 0 292.339 1.217 20 5 CDBDRO [NH3+]C1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000237797134 131058196 /nfs/dbraw/zinc/05/81/96/131058196.db2.gz SMIXQAQXMAHUCW-UHFFFAOYSA-N 1 0 291.351 1.915 20 5 CDBDRO [NH3+]C1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000237869030 131062523 /nfs/dbraw/zinc/06/25/23/131062523.db2.gz XGERKCRYRLWAHR-UHFFFAOYSA-N 1 0 294.267 1.066 20 5 CDBDRO C[C@H]1C[NH+](CCCNc2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000253602341 131144902 /nfs/dbraw/zinc/14/49/02/131144902.db2.gz ACTFHCOOOFBNNC-RYUDHWBXSA-N 1 0 294.355 1.901 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261596400 131154980 /nfs/dbraw/zinc/15/49/80/131154980.db2.gz OOVSQQDHRFLTMH-GFCCVEGCSA-N 1 0 281.337 1.482 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000261592998 131155141 /nfs/dbraw/zinc/15/51/41/131155141.db2.gz MRZYQDUYJKMSJF-SOCHQFKDSA-N 1 0 283.353 1.773 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261689128 131162411 /nfs/dbraw/zinc/16/24/11/131162411.db2.gz HLXQDCJESWFDQO-VXGBXAGGSA-N 1 0 275.308 1.276 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000262701825 131252667 /nfs/dbraw/zinc/25/26/67/131252667.db2.gz AVBSLECRJFCNMS-RISCZKNCSA-N 1 0 291.351 1.642 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000262749838 131258532 /nfs/dbraw/zinc/25/85/32/131258532.db2.gz GKHFSSJAIAOTGH-WDEREUQCSA-N 1 0 293.323 1.182 20 5 CDBDRO CO[C@@H](C[NH3+])CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000262952344 131275638 /nfs/dbraw/zinc/27/56/38/131275638.db2.gz VOTUIKGUIFXGOT-ZYHUDNBSSA-N 1 0 295.339 1.444 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000122322793 392537805 /nfs/dbraw/zinc/53/78/05/392537805.db2.gz IVRSXFRFKLTPHT-SECBINFHSA-N 1 0 267.260 1.297 20 5 CDBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])C1 ZINC000459640875 392495530 /nfs/dbraw/zinc/49/55/30/392495530.db2.gz FPWAZSNRICIOBD-PHIMTYICSA-N 1 0 296.323 1.966 20 5 CDBDRO COCCCC[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419390510 392891803 /nfs/dbraw/zinc/89/18/03/392891803.db2.gz VEHZBNGFTNESSA-UHFFFAOYSA-N 1 0 295.339 1.892 20 5 CDBDRO Cc1nc(N2CCC[C@H](CC[NH3+])C2)ncc1[N+](=O)[O-] ZINC000420238260 392912124 /nfs/dbraw/zinc/91/21/24/392912124.db2.gz HIXMMXAZJIVOOB-SNVBAGLBSA-N 1 0 265.317 1.258 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417947119 392875799 /nfs/dbraw/zinc/87/57/99/392875799.db2.gz RXOCYZFWXBHQNV-LLVKDONJSA-N 1 0 280.328 1.174 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+]CCn2cncn2)cc1[N+](=O)[O-] ZINC000268850372 132076658 /nfs/dbraw/zinc/07/66/58/132076658.db2.gz SPZRMIPERAJNKU-LLVKDONJSA-N 1 0 275.312 1.846 20 5 CDBDRO O=C(N[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000422746407 392957294 /nfs/dbraw/zinc/95/72/94/392957294.db2.gz NVGDBVSEQVXZSF-VIFPVBQESA-N 1 0 286.291 1.235 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000423585455 392964187 /nfs/dbraw/zinc/96/41/87/392964187.db2.gz WTWUEKMTERYVMS-SECBINFHSA-N 1 0 278.312 1.049 20 5 CDBDRO O=C([C@H]1CC[NH2+]C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423718582 392966875 /nfs/dbraw/zinc/96/68/75/392966875.db2.gz CWORJJMFZWPLMP-LBPRGKRZSA-N 1 0 289.335 1.695 20 5 CDBDRO CNC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130906645 392984421 /nfs/dbraw/zinc/98/44/21/392984421.db2.gz NUYGHYRQSUJRTN-UHFFFAOYSA-N 1 0 277.324 1.695 20 5 CDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000429776290 393084917 /nfs/dbraw/zinc/08/49/17/393084917.db2.gz ZPMJLERCPMJVTO-BXKDBHETSA-N 1 0 295.314 1.738 20 5 CDBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000430630828 393102229 /nfs/dbraw/zinc/10/22/29/393102229.db2.gz SQAHXKJPFIZPHX-MNOVXSKESA-N 1 0 292.339 1.263 20 5 CDBDRO CC[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000161160495 393128382 /nfs/dbraw/zinc/12/83/82/393128382.db2.gz OBDPHVPAYALGOX-CYBMUJFWSA-N 1 0 279.340 1.594 20 5 CDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000449629698 393135601 /nfs/dbraw/zinc/13/56/01/393135601.db2.gz UNHAUTQGGPMSIV-AYBYRNOTSA-N 1 0 295.364 1.902 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000449641156 393135946 /nfs/dbraw/zinc/13/59/46/393135946.db2.gz UNVUTCVYAOYSTI-BDAKNGLRSA-N 1 0 283.353 1.904 20 5 CDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000449721247 393139539 /nfs/dbraw/zinc/13/95/39/393139539.db2.gz UAOGFPJQDHXVKD-WDEREUQCSA-N 1 0 292.339 1.250 20 5 CDBDRO Cc1cc(N2C[C@H](C)[NH2+]C[C@H]2C)ncc1[N+](=O)[O-] ZINC000252639088 393315622 /nfs/dbraw/zinc/31/56/22/393315622.db2.gz JLLYEORFQJFMSZ-VHSXEESVSA-N 1 0 250.302 1.485 20 5 CDBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000275462809 135107727 /nfs/dbraw/zinc/10/77/27/135107727.db2.gz ZAAPOOYVUNWFPV-VXGBXAGGSA-N 1 0 279.340 1.486 20 5 CDBDRO C[NH2+]CC1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000092027645 139689017 /nfs/dbraw/zinc/68/90/17/139689017.db2.gz PFQRZDHBZOZZPE-UHFFFAOYSA-N 1 0 264.329 1.734 20 5 CDBDRO C[C@]1(CNc2ccc([N+](=O)[O-])nc2)CCC[NH2+]C1 ZINC000129377078 139815195 /nfs/dbraw/zinc/81/51/95/139815195.db2.gz PLGHAZYEACRJER-LBPRGKRZSA-N 1 0 250.302 1.791 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000131670331 139841176 /nfs/dbraw/zinc/84/11/76/139841176.db2.gz XJLAPCBPHCWEPJ-NSHDSACASA-N 1 0 264.285 1.550 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000229590468 140202144 /nfs/dbraw/zinc/20/21/44/140202144.db2.gz HTZYTSMAWIATAK-SKDRFNHKSA-N 1 0 278.312 1.857 20 5 CDBDRO Cc1c(CNC(=O)[C@@]2(C)CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000231856111 140220204 /nfs/dbraw/zinc/22/02/04/140220204.db2.gz ULSJQLGMQKIELX-AWEZNQCLSA-N 1 0 277.324 1.519 20 5 CDBDRO C[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251839759 140312215 /nfs/dbraw/zinc/31/22/15/140312215.db2.gz QISNQWFADVFCID-JOYOIKCWSA-N 1 0 267.304 1.903 20 5 CDBDRO O=[N+]([O-])c1ccccc1CNC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252667288 140321278 /nfs/dbraw/zinc/32/12/78/140321278.db2.gz IEHVBBOTWJJUCH-KBPBESRZSA-N 1 0 291.351 1.548 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)ccc1[N+](=O)[O-] ZINC000261587123 140357088 /nfs/dbraw/zinc/35/70/88/140357088.db2.gz JGBHTAXWSYBYRD-KOLCDFICSA-N 1 0 263.297 1.465 20 5 CDBDRO C[C@H]1[C@H]([NH3+])CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000261587817 140357718 /nfs/dbraw/zinc/35/77/18/140357718.db2.gz JRIQCIGOKWWULX-JOYOIKCWSA-N 1 0 263.297 1.085 20 5 CDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261782437 140388925 /nfs/dbraw/zinc/38/89/25/140388925.db2.gz WYXSAGNZZWUISM-ONGXEEELSA-N 1 0 293.298 1.415 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC2(C1)CC[NH2+]CC2 ZINC000261797996 140390137 /nfs/dbraw/zinc/39/01/37/140390137.db2.gz VOKYDFIJYPMINA-UHFFFAOYSA-N 1 0 278.312 1.139 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000261805249 140391047 /nfs/dbraw/zinc/39/10/47/140391047.db2.gz RUZRZPPWXRBCRF-CQSZACIVSA-N 1 0 277.324 1.714 20 5 CDBDRO Cc1c(C(=O)N2CC[C@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000261830282 140395540 /nfs/dbraw/zinc/39/55/40/140395540.db2.gz USSUARWEQHZKPD-CQSZACIVSA-N 1 0 277.324 1.714 20 5 CDBDRO COCCN(CCc1ccc([N+](=O)[O-])cc1)CC(=O)OC ZINC000114197745 397601953 /nfs/dbraw/zinc/60/19/53/397601953.db2.gz BRSIJFMJZWDXAW-UHFFFAOYSA-N 1 0 296.323 1.259 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000131909092 397606245 /nfs/dbraw/zinc/60/62/45/397606245.db2.gz SKPYQZHKWVQOID-BCMFZCSUSA-N 1 0 289.335 1.804 20 5 CDBDRO [NH3+]CCCOC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000094071158 147076198 /nfs/dbraw/zinc/07/61/98/147076198.db2.gz KAVWVPGMQHHUFS-UHFFFAOYSA-N 1 0 297.311 1.158 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000127328626 147550004 /nfs/dbraw/zinc/55/00/04/147550004.db2.gz FTJZGHIGENPZCV-SFYZADRCSA-N 1 0 270.720 1.817 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCCCO)c(F)c1 ZINC000311068134 149208488 /nfs/dbraw/zinc/20/84/88/149208488.db2.gz LFXKBCWFCWGSEC-UHFFFAOYSA-N 1 0 256.277 1.986 20 5 CDBDRO CCCN(CC[NH+]1CCCC1)c1c([N+](=O)[O-])ncn1C ZINC000343269758 152093522 /nfs/dbraw/zinc/09/35/22/152093522.db2.gz KVBFGUPEVKNROT-UHFFFAOYSA-N 1 0 281.360 1.641 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000352665864 155336700 /nfs/dbraw/zinc/33/67/00/155336700.db2.gz GDNGBMLHVHXSGX-CHWSQXEVSA-N 1 0 280.324 1.949 20 5 CDBDRO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CCC[N@@H+]1C ZINC000343449083 152181914 /nfs/dbraw/zinc/18/19/14/152181914.db2.gz OBJMMMQSGGAETI-UWVGGRQHSA-N 1 0 280.328 1.146 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCn1cncn1 ZINC000344788144 152644049 /nfs/dbraw/zinc/64/40/49/152644049.db2.gz DOGDRMWQWABKSE-KPKJPENVSA-N 1 0 287.323 1.879 20 5 CDBDRO CSc1cccc(C(=O)N[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000346176670 153084071 /nfs/dbraw/zinc/08/40/71/153084071.db2.gz KOUMCWCJTZTJEQ-SECBINFHSA-N 1 0 297.380 1.997 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000346322002 153138506 /nfs/dbraw/zinc/13/85/06/153138506.db2.gz AKDLLCZZBDITPH-VIFPVBQESA-N 1 0 268.317 1.003 20 5 CDBDRO C[N@@H+]1CC[C@](O)(CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000349220502 154070103 /nfs/dbraw/zinc/07/01/03/154070103.db2.gz UAUIACWQJBHJLL-LBPRGKRZSA-N 1 0 285.731 1.727 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000349945011 154281653 /nfs/dbraw/zinc/28/16/53/154281653.db2.gz BNPQPQSYWJFNJQ-SECBINFHSA-N 1 0 292.339 1.636 20 5 CDBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@H](C)O ZINC000352195965 155016310 /nfs/dbraw/zinc/01/63/10/155016310.db2.gz VPCHQXAVSXVCKZ-JTQLQIEISA-N 1 0 268.313 1.806 20 5 CDBDRO CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@@H](C)O ZINC000352228879 155040870 /nfs/dbraw/zinc/04/08/70/155040870.db2.gz BDKWJMNUGOXZIU-LLVKDONJSA-N 1 0 295.339 1.260 20 5 CDBDRO Cc1ccc(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000375248200 160356678 /nfs/dbraw/zinc/35/66/78/160356678.db2.gz DMGPBAKGJVMEKU-BXUZGUMPSA-N 1 0 275.308 1.841 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H](n2cncn2)C1 ZINC000375321468 160366706 /nfs/dbraw/zinc/36/67/06/160366706.db2.gz WUEQOIIAOABXKT-LBPRGKRZSA-N 1 0 291.286 1.772 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2[C@H]2CCCO2)n1 ZINC000375349784 160371688 /nfs/dbraw/zinc/37/16/88/160371688.db2.gz PNLUCERHWHNKMZ-NWDGAFQWSA-N 1 0 280.328 1.435 20 5 CDBDRO C[NH+](C)CCOCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000353938188 156171104 /nfs/dbraw/zinc/17/11/04/156171104.db2.gz FTUHRZKXWRXMAF-UHFFFAOYSA-N 1 0 296.327 1.295 20 5 CDBDRO O=C(NCCCCC[NH+]1CCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000357096588 157656756 /nfs/dbraw/zinc/65/67/56/157656756.db2.gz DBBMPZOBIKTGOV-UHFFFAOYSA-N 1 0 294.355 1.919 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359319689 158212965 /nfs/dbraw/zinc/21/29/65/158212965.db2.gz ZZUUFWQXPKUPQB-UWVGGRQHSA-N 1 0 265.288 1.385 20 5 CDBDRO CO[C@]1(C)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000373645369 160218014 /nfs/dbraw/zinc/21/80/14/160218014.db2.gz CRSCDZAFUVWTIZ-CYBMUJFWSA-N 1 0 282.344 1.682 20 5 CDBDRO Cn1c(C(=O)N2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000408086839 160696590 /nfs/dbraw/zinc/69/65/90/160696590.db2.gz LXOYDKZRAKSUMI-JTQLQIEISA-N 1 0 280.328 1.100 20 5 CDBDRO CCCNC(=O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000035135789 172002828 /nfs/dbraw/zinc/00/28/28/172002828.db2.gz RDTYTMQXMWSATB-UHFFFAOYSA-N 1 0 251.286 1.211 20 5 CDBDRO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035140120 172008130 /nfs/dbraw/zinc/00/81/30/172008130.db2.gz POYINDAOJFKOQO-VHSXEESVSA-N 1 0 265.313 1.770 20 5 CDBDRO [NH3+]C1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000036753405 172678046 /nfs/dbraw/zinc/67/80/46/172678046.db2.gz KOJBRGYGPABWSR-UHFFFAOYSA-N 1 0 283.715 1.812 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000040454470 174267296 /nfs/dbraw/zinc/26/72/96/174267296.db2.gz OHAIEPXEAVSOBX-VIFPVBQESA-N 1 0 251.290 1.281 20 5 CDBDRO CCC[C@@](C)([NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676291 174373971 /nfs/dbraw/zinc/37/39/71/174373971.db2.gz XLWNSIQTJZCANV-CQSZACIVSA-N 1 0 279.340 1.771 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCCC[N@@H+]1C ZINC000044563280 175206932 /nfs/dbraw/zinc/20/69/32/175206932.db2.gz ZZOLXWXIZSXMLW-SECBINFHSA-N 1 0 253.306 1.225 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000070578068 175993802 /nfs/dbraw/zinc/99/38/02/175993802.db2.gz IMFXKYKRIBMLLF-CMPLNLGQSA-N 1 0 277.324 1.729 20 5 CDBDRO COCCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000078508350 177348149 /nfs/dbraw/zinc/34/81/49/177348149.db2.gz AVWIRWLOCCVBTA-UHFFFAOYSA-N 1 0 295.339 1.245 20 5 CDBDRO C[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000525748642 262094575 /nfs/dbraw/zinc/09/45/75/262094575.db2.gz UFKJBTAUDKMUTD-GFCCVEGCSA-N 1 0 291.351 1.738 20 5 CDBDRO C[C@@H]1C[C@@H]1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000453576406 270393319 /nfs/dbraw/zinc/39/33/19/270393319.db2.gz MRFOTQKOOPWNLQ-VXGBXAGGSA-N 1 0 276.340 1.768 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@]1(COC)CCC[NH2+]1 ZINC000261736465 273782744 /nfs/dbraw/zinc/78/27/44/273782744.db2.gz RTFPXSSGPDIPRI-ZDUSSCGKSA-N 1 0 297.359 1.300 20 5 CDBDRO CN(c1ccc2cc([N+](=O)[O-])ccc2n1)[C@@H]1CC[NH2+]C1 ZINC000071311804 273861727 /nfs/dbraw/zinc/86/17/27/273861727.db2.gz HWMFQNIQKTURGQ-GFCCVEGCSA-N 1 0 272.308 1.941 20 5 CDBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000362505861 274336388 /nfs/dbraw/zinc/33/63/88/274336388.db2.gz PFZKSYNYYKBNGN-MFKMUULPSA-N 1 0 289.335 1.682 20 5 CDBDRO C[C@H]1C[NH2+]CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000126264145 274604413 /nfs/dbraw/zinc/60/44/13/274604413.db2.gz ZUZGNOWQPGGRHC-QMMMGPOBSA-N 1 0 283.715 1.682 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271859589 277002403 /nfs/dbraw/zinc/00/24/03/277002403.db2.gz ZCDJLVADYKEPHL-UWVGGRQHSA-N 1 0 265.313 1.770 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC[C@@H]21 ZINC000408338063 277083272 /nfs/dbraw/zinc/08/32/72/277083272.db2.gz ISDLTZGAKPCEGT-GWCFXTLKSA-N 1 0 292.339 1.479 20 5 CDBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000292152674 277186279 /nfs/dbraw/zinc/18/62/79/277186279.db2.gz CIRJAOOFFYFYND-ZDUSSCGKSA-N 1 0 262.313 1.522 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000261608320 277285709 /nfs/dbraw/zinc/28/57/09/277285709.db2.gz RVDMEPAMBJMMDD-GFCCVEGCSA-N 1 0 267.304 1.918 20 5 CDBDRO C[NH2+][C@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000133102491 277301176 /nfs/dbraw/zinc/30/11/76/277301176.db2.gz TVSKAXSMJNRLMF-NSHDSACASA-N 1 0 272.308 1.941 20 5 CDBDRO C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1[NH3+] ZINC000420272613 277919891 /nfs/dbraw/zinc/91/98/91/277919891.db2.gz IHBPMPMFUAAFMX-KCJUWKMLSA-N 1 0 289.295 1.428 20 5 CDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000236642147 277982835 /nfs/dbraw/zinc/98/28/35/277982835.db2.gz XKOUUXUHWYEKKX-AWEZNQCLSA-N 1 0 295.339 1.463 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)C[NH+]1CCCC1 ZINC000299040286 278281624 /nfs/dbraw/zinc/28/16/24/278281624.db2.gz JRWDDDDKAFEAGD-JTQLQIEISA-N 1 0 280.328 1.385 20 5 CDBDRO C[C@@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000081902552 278293077 /nfs/dbraw/zinc/29/30/77/278293077.db2.gz RTPBSYUFDALPMD-UWVGGRQHSA-N 1 0 286.353 1.679 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000036793809 278361124 /nfs/dbraw/zinc/36/11/24/278361124.db2.gz ZSICAPYZPVIKEX-ZJUUUORDSA-N 1 0 265.313 1.722 20 5 CDBDRO Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000108337576 279305460 /nfs/dbraw/zinc/30/54/60/279305460.db2.gz BAWVDXMTQAQLBF-LBPRGKRZSA-N 1 0 291.351 1.975 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000420278348 279385312 /nfs/dbraw/zinc/38/53/12/279385312.db2.gz IYKKJUSMFXOEDA-RKDXNWHRSA-N 1 0 253.306 1.258 20 5 CDBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000070148963 279629790 /nfs/dbraw/zinc/62/97/90/279629790.db2.gz FKKXROOIBAAXMX-LBPRGKRZSA-N 1 0 277.324 1.938 20 5 CDBDRO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000163522522 279710075 /nfs/dbraw/zinc/71/00/75/279710075.db2.gz DFGRSCBMSQLWMC-JQWIXIFHSA-N 1 0 277.324 1.652 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331974968 280044088 /nfs/dbraw/zinc/04/40/88/280044088.db2.gz NLKUZZYCTZUTQN-MFKMUULPSA-N 1 0 289.335 1.872 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000236080801 280128085 /nfs/dbraw/zinc/12/80/85/280128085.db2.gz SZQQSZMUBZEXJE-NSHDSACASA-N 1 0 280.328 1.181 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000237559471 280180344 /nfs/dbraw/zinc/18/03/44/280180344.db2.gz XLXSMVSYRDAZSS-BRAIEQGRSA-N 1 0 263.297 1.319 20 5 CDBDRO Cc1c(C(=O)N(C)[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000058233579 280203870 /nfs/dbraw/zinc/20/38/70/280203870.db2.gz GSCOQQNAYSPOBT-JTQLQIEISA-N 1 0 263.297 1.337 20 5 CDBDRO COc1ccc(C[NH2+]CCC2(CO)CC2)cc1[N+](=O)[O-] ZINC000395882040 280694003 /nfs/dbraw/zinc/69/40/03/280694003.db2.gz BJJFAZIRUVGYHE-UHFFFAOYSA-N 1 0 280.324 1.856 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261576768 281013582 /nfs/dbraw/zinc/01/35/82/281013582.db2.gz CFSQXEHCYSSWSU-NEPJUHHUSA-N 1 0 261.325 1.949 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261588743 281260615 /nfs/dbraw/zinc/26/06/15/281260615.db2.gz KINUSMFNXNLMBS-RYUDHWBXSA-N 1 0 261.325 1.949 20 5 CDBDRO C[NH+](C)C1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000416300960 282029812 /nfs/dbraw/zinc/02/98/12/282029812.db2.gz KCHOWXBQGQZFGS-UHFFFAOYSA-N 1 0 277.324 1.348 20 5 CDBDRO NC(=O)[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255863818 289387800 /nfs/dbraw/zinc/38/78/00/289387800.db2.gz ZJUAJZMGLHMWRK-KTLBGCOUSA-N 1 0 275.308 1.415 20 5 CDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000557361467 290342295 /nfs/dbraw/zinc/34/22/95/290342295.db2.gz PXXMUVDINFJYSN-CYBMUJFWSA-N 1 0 291.351 1.547 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000570429369 294237676 /nfs/dbraw/zinc/23/76/76/294237676.db2.gz AKVNPPWLKJTKFR-CQSZACIVSA-N 1 0 276.340 1.878 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000423689131 295362937 /nfs/dbraw/zinc/36/29/37/295362937.db2.gz BZJJWBCVWGLXOD-UWVGGRQHSA-N 1 0 292.339 1.424 20 5 CDBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000110791279 295653158 /nfs/dbraw/zinc/65/31/58/295653158.db2.gz IUHKDRHUOFHCHX-NSHDSACASA-N 1 0 277.324 1.714 20 5 CDBDRO COC[C@@H](O)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575881613 317034232 /nfs/dbraw/zinc/03/42/32/317034232.db2.gz XFHRNXOXWFLUJJ-GWCFXTLKSA-N 1 0 280.324 1.569 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000379501976 323602050 /nfs/dbraw/zinc/60/20/50/323602050.db2.gz XDFYYPHTWIGBMQ-FUMJMOHISA-N 1 0 289.335 1.817 20 5 CDBDRO CC(C)CC(C)(C)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000391136271 323821310 /nfs/dbraw/zinc/82/13/10/323821310.db2.gz GATNOYKLKQUHOV-ZDUSSCGKSA-N 1 0 298.387 1.814 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000582667419 325020266 /nfs/dbraw/zinc/02/02/66/325020266.db2.gz NQFYNGMFIGIPTK-ZJUUUORDSA-N 1 0 281.312 1.216 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CC23CC3)c1 ZINC000582959899 325078032 /nfs/dbraw/zinc/07/80/32/325078032.db2.gz RBUVFQJWOHJIHK-WCQYABFASA-N 1 0 292.335 1.724 20 5 CDBDRO CC[N@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000112928515 521053411 /nfs/dbraw/zinc/05/34/11/521053411.db2.gz SBOVOYGBZMVVCY-UHFFFAOYSA-N 1 0 293.367 1.984 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000070304829 522004719 /nfs/dbraw/zinc/00/47/19/522004719.db2.gz KMAUJXQCKIZZPC-UHFFFAOYSA-N 1 0 271.704 1.540 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000336840746 523146782 /nfs/dbraw/zinc/14/67/82/523146782.db2.gz QPENLLRXQUCZPQ-JTQLQIEISA-N 1 0 279.344 1.768 20 5 CDBDRO COc1ccc(C(=O)NCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000338423151 523695403 /nfs/dbraw/zinc/69/54/03/523695403.db2.gz UKBCVPAIBDABIL-UHFFFAOYSA-N 1 0 295.339 1.673 20 5 CDBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N)C1CC[NH+](C)CC1 ZINC000050698437 523923706 /nfs/dbraw/zinc/92/37/06/523923706.db2.gz HIKAANAQLFDWLT-UHFFFAOYSA-N 1 0 292.339 1.343 20 5 CDBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000245660367 524611541 /nfs/dbraw/zinc/61/15/41/524611541.db2.gz HHXRERKSLXBXAN-ZJUUUORDSA-N 1 0 295.343 1.168 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000261582423 536398069 /nfs/dbraw/zinc/39/80/69/536398069.db2.gz RERPWXNBYQIREN-MRVPVSSYSA-N 1 0 252.274 1.324 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000163506515 526257678 /nfs/dbraw/zinc/25/76/78/526257678.db2.gz CJHXRHNWPGCPDA-YPMHNXCESA-N 1 0 291.351 1.960 20 5 CDBDRO O=C(CC1CC[NH2+]CC1)NCc1cccc([N+](=O)[O-])c1 ZINC000052943234 526368818 /nfs/dbraw/zinc/36/88/18/526368818.db2.gz SARIADFFJADFBH-UHFFFAOYSA-N 1 0 277.324 1.601 20 5 CDBDRO [NH3+][C@@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050444842 527364300 /nfs/dbraw/zinc/36/43/00/527364300.db2.gz ZJYOAFIJEVREFH-SNVBAGLBSA-N 1 0 255.705 1.781 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000307906198 527793237 /nfs/dbraw/zinc/79/32/37/527793237.db2.gz BPHXYNYDKQZKRW-LBPRGKRZSA-N 1 0 277.324 1.394 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000261575895 536342772 /nfs/dbraw/zinc/34/27/72/536342772.db2.gz NIGRGNVMWNDHBD-ZETCQYMHSA-N 1 0 271.704 1.586 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000264635383 536476337 /nfs/dbraw/zinc/47/63/37/536476337.db2.gz OZQKXSFEBAIOIG-NNNHXZLVSA-N 1 0 289.335 1.676 20 5 CDBDRO C[C@H](C(=O)N1CCN(C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000761954273 576608701 /nfs/dbraw/zinc/60/87/01/576608701.db2.gz LIRAKKMNLHKPBS-RYUDHWBXSA-N 1 0 291.351 1.861 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CCO)C1CC1 ZINC000763067611 576707613 /nfs/dbraw/zinc/70/76/13/576707613.db2.gz PJGJQLLUSSEHNO-CYBMUJFWSA-N 1 0 280.324 1.854 20 5 CDBDRO CCn1nccc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000753852662 576862846 /nfs/dbraw/zinc/86/28/46/576862846.db2.gz FCNLYTBWNWKITM-CQSZACIVSA-N 1 0 290.323 1.634 20 5 CDBDRO CC1(O)CCC([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000893133114 617402397 /nfs/dbraw/zinc/40/23/97/617402397.db2.gz APDYTQCLBVZOJJ-UHFFFAOYSA-N 1 0 268.317 1.075 20 5 CDBDRO COc1c(O)ccc(C[N@H+](C)CC2(O)CCC2)c1[N+](=O)[O-] ZINC000893577014 617610747 /nfs/dbraw/zinc/61/07/47/617610747.db2.gz DPGZPJFSHWECMM-UHFFFAOYSA-N 1 0 296.323 1.656 20 5 CDBDRO CC[C@H](CO)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000931767472 617721166 /nfs/dbraw/zinc/72/11/66/617721166.db2.gz SBSLCSMTRZQBRJ-SNVBAGLBSA-N 1 0 254.286 1.334 20 5 CDBDRO CN(CC[NH+](C)C)c1ccc2nonc2c1[N+](=O)[O-] ZINC000892777661 617734142 /nfs/dbraw/zinc/73/41/42/617734142.db2.gz PISFNHLUHJGLIU-UHFFFAOYSA-N 1 0 265.273 1.129 20 5 CDBDRO C[NH+]1CCC(CNc2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000725790877 617854689 /nfs/dbraw/zinc/85/46/89/617854689.db2.gz HSMTUMXDPJAUHU-UHFFFAOYSA-N 1 0 289.339 1.996 20 5 CDBDRO CCC[N@H+](CC)C[C@@H](C)Nc1c([N+](=O)[O-])cnn1C ZINC000893924453 618182037 /nfs/dbraw/zinc/18/20/37/618182037.db2.gz SNJGHQOHDZKHHM-SNVBAGLBSA-N 1 0 269.349 1.861 20 5 CDBDRO COc1c(O)ccc(CNCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000892427361 618188167 /nfs/dbraw/zinc/18/81/67/618188167.db2.gz OFPSUHBWLHFKMV-UHFFFAOYSA-N 1 0 283.328 1.350 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@@H](C)[C@@H](C)OC)c1[N+](=O)[O-] ZINC000893933551 618192007 /nfs/dbraw/zinc/19/20/07/618192007.db2.gz BBVUHASBQPGFLC-DTWKUNHWSA-N 1 0 284.312 1.822 20 5 CDBDRO C[N@@H+]1C[C@H]2CCN(c3ncnc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000893940752 618203303 /nfs/dbraw/zinc/20/33/03/618203303.db2.gz PPKLKTYMIFCJSU-YGRLFVJLSA-N 1 0 299.334 1.678 20 5 CDBDRO Cc1nc(N2CC[C@H]3C[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000893941121 618204953 /nfs/dbraw/zinc/20/49/53/618204953.db2.gz QTZRHDVBXREHJX-JQWIXIFHSA-N 1 0 262.313 1.439 20 5 CDBDRO COc1c(O)ccc(CNC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000892452808 618217663 /nfs/dbraw/zinc/21/76/63/618217663.db2.gz BWIHDAAPAXJHDR-UHFFFAOYSA-N 1 0 295.339 1.493 20 5 CDBDRO C[NH2+]CCN(C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841103227 618683056 /nfs/dbraw/zinc/68/30/56/618683056.db2.gz NSCVXOSKORUMNW-UHFFFAOYSA-N 1 0 286.719 1.931 20 5 CDBDRO CN(CC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841102365 618683088 /nfs/dbraw/zinc/68/30/88/618683088.db2.gz ANUHZIUKNNXCGI-UHFFFAOYSA-N 1 0 272.692 1.671 20 5 CDBDRO COc1ccc(C[NH2+]C[C@H]2COCO2)cc1[N+](=O)[O-] ZINC000894872500 619112783 /nfs/dbraw/zinc/11/27/83/619112783.db2.gz JSLOMGORWGGWSK-JTQLQIEISA-N 1 0 268.269 1.066 20 5 CDBDRO C[NH+](C)CC1(O)CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000894954582 619163242 /nfs/dbraw/zinc/16/32/42/619163242.db2.gz MSOYLFIRHVBSGS-UHFFFAOYSA-N 1 0 297.330 1.627 20 5 CDBDRO C[C@H]1COC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000925194824 620545931 /nfs/dbraw/zinc/54/59/31/620545931.db2.gz PXNFOSYUVITEKL-GXSJLCMTSA-N 1 0 279.296 1.158 20 5 CDBDRO Cc1cc(C(=O)N2CC([NH+]3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC000898612577 621819646 /nfs/dbraw/zinc/81/96/46/621819646.db2.gz JTHQNSLRYFZRKV-UHFFFAOYSA-N 1 0 289.335 1.823 20 5 CDBDRO CCCCNC(=O)c1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000899871367 622497279 /nfs/dbraw/zinc/49/72/79/622497279.db2.gz RUSZYNJWECREJJ-UHFFFAOYSA-N 1 0 279.340 1.583 20 5 CDBDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903392846 625979834 /nfs/dbraw/zinc/97/98/34/625979834.db2.gz AQWKZBZZTKYEBE-HOTUBEGUSA-N 1 0 265.313 1.863 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000905067042 626614444 /nfs/dbraw/zinc/61/44/44/626614444.db2.gz YDJXATRWVLVJRC-SNVBAGLBSA-N 1 0 285.294 1.657 20 5 CDBDRO C[C@H](NCC[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000905213543 626694810 /nfs/dbraw/zinc/69/48/10/626694810.db2.gz CHKGIGHKRDEPIW-AAEUAGOBSA-N 1 0 251.330 1.544 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000905340607 626775399 /nfs/dbraw/zinc/77/53/99/626775399.db2.gz HPGRPMCZHHTFKZ-SNVBAGLBSA-N 1 0 294.229 1.485 20 5 CDBDRO Cc1ccc(C[C@H](CO)[NH2+]CC[N+](=O)[O-])cc1C ZINC000905369058 626787210 /nfs/dbraw/zinc/78/72/10/626787210.db2.gz XNESZCGRFSECJW-CYBMUJFWSA-N 1 0 252.314 1.073 20 5 CDBDRO Cc1ccc(CN2CC[C@@H]([NH2+]CC[N+](=O)[O-])C2)cc1 ZINC000905403274 626797665 /nfs/dbraw/zinc/79/76/65/626797665.db2.gz FTHRQZXQZDMEGN-CQSZACIVSA-N 1 0 263.341 1.436 20 5 CDBDRO COc1ccc(C[C@H](C)N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001170295211 1162327993 /nfs/dbraw/zinc/32/79/93/1162327993.db2.gz BBOGUZNRSZYHFD-CMPLNLGQSA-N 1 0 279.340 1.567 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]CCOCCO)c([N+](=O)[O-])c1 ZINC001170299217 1162328289 /nfs/dbraw/zinc/32/82/89/1162328289.db2.gz SPIAPLNZWAWUBT-LLVKDONJSA-N 1 0 298.339 1.133 20 5 CDBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170339460 1162346827 /nfs/dbraw/zinc/34/68/27/1162346827.db2.gz CGAZVPQIYJDPDB-NWDGAFQWSA-N 1 0 294.351 1.849 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H]2C[NH2+]CCO2)n1 ZINC001170569474 1162948671 /nfs/dbraw/zinc/94/86/71/1162948671.db2.gz SIKMFRSVZIAACH-KOLCDFICSA-N 1 0 266.301 1.087 20 5 CDBDRO O=C(NC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)C1CC1 ZINC001169030156 1161998466 /nfs/dbraw/zinc/99/84/66/1161998466.db2.gz XAEOCDTWTVEIIW-SMDDNHRTSA-N 1 0 295.383 1.422 20 5 CDBDRO COC(=O)C1CC([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000877722977 1166084393 /nfs/dbraw/zinc/08/43/93/1166084393.db2.gz APICYKGEPVFKEZ-UHFFFAOYSA-N 1 0 278.308 1.944 20 5 CDBDRO C[NH+](C)CCCCNc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050455898 1166663010 /nfs/dbraw/zinc/66/30/10/1166663010.db2.gz HDDPVEJMCVANFF-UHFFFAOYSA-N 1 0 273.724 1.792 20 5 CDBDRO CC[NH2+][C@H](C)CNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001577887190 1171758932 /nfs/dbraw/zinc/75/89/32/1171758932.db2.gz RRKJJUMYGZFFQU-SECBINFHSA-N 1 0 283.328 1.397 20 5 CDBDRO COc1cc(CNCC[NH2+]C2CC2)c([N+](=O)[O-])cc1O ZINC001579152786 1172108190 /nfs/dbraw/zinc/10/81/90/1172108190.db2.gz HUVSTNBNYCWLRD-UHFFFAOYSA-N 1 0 281.312 1.151 20 5 CDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[NH2+][C@@H]1C ZINC001579537364 1172208694 /nfs/dbraw/zinc/20/86/94/1172208694.db2.gz OTZOGBCKWBVSND-SCZZXKLOSA-N 1 0 281.287 1.523 20 5 CDBDRO Cc1cnc(OC[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)c([N+](=O)[O-])c1 ZINC001579822648 1172273333 /nfs/dbraw/zinc/27/33/33/1172273333.db2.gz LWQSELAQZZQPGO-SMDDNHRTSA-N 1 0 293.323 1.446 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001580654331 1172499864 /nfs/dbraw/zinc/49/98/64/1172499864.db2.gz HXMNOIQGFDECPS-KWCYVHTRSA-N 1 0 289.335 1.567 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(O[C@H]3CCC[NH2+]C3)c2c1 ZINC000081591099 1173111967 /nfs/dbraw/zinc/11/19/67/1173111967.db2.gz XUXACPYMRUBMFN-JTQLQIEISA-N 1 0 274.280 1.669 20 5 CDBDRO Cn1cc(CN2CC[C@@](C[NH3+])(C(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000883439497 705351501 /nfs/dbraw/zinc/35/15/01/705351501.db2.gz STFKRCIPYFSUEM-AWEZNQCLSA-N 1 0 295.387 1.525 20 5 CDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000825178920 705410545 /nfs/dbraw/zinc/41/05/45/705410545.db2.gz HRYWPHONBNQROZ-GFCCVEGCSA-N 1 0 292.339 1.295 20 5 CDBDRO CCC[N@H+](CCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776271946 705471359 /nfs/dbraw/zinc/47/13/59/705471359.db2.gz PENREKRLRGNQAE-ZDUSSCGKSA-N 1 0 268.313 1.333 20 5 CDBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2CCOc1ccc([N+](=O)[O-])cc1 ZINC000931396449 705489546 /nfs/dbraw/zinc/48/95/46/705489546.db2.gz WUPWMQJPEYHGIR-OKILXGFUSA-N 1 0 291.351 1.752 20 5 CDBDRO C[C@]1(NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000230733627 705540336 /nfs/dbraw/zinc/54/03/36/705540336.db2.gz LTTHUDZUEWGYIT-LBPRGKRZSA-N 1 0 267.260 1.216 20 5 CDBDRO CC[NH2+]CC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000131587971 705570268 /nfs/dbraw/zinc/57/02/68/705570268.db2.gz YFPYIDGPAHIXIT-UHFFFAOYSA-N 1 0 264.329 1.816 20 5 CDBDRO CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001034644364 705586177 /nfs/dbraw/zinc/58/61/77/705586177.db2.gz FGXAQIDFWILEDM-DDHJBXDOSA-N 1 0 269.345 1.079 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@H]2C[C@@H]([NH3+])C2(C)C)c1[N+](=O)[O-] ZINC000884355880 705597305 /nfs/dbraw/zinc/59/73/05/705597305.db2.gz TXCDNDWDMXGCAK-MNOVXSKESA-N 1 0 295.314 1.898 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000158501864 705624196 /nfs/dbraw/zinc/62/41/96/705624196.db2.gz VXOROFZRZFGECT-SNVBAGLBSA-N 1 0 281.287 1.606 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2CC[C@@](C)([NH3+])C2)c1[N+](=O)[O-] ZINC000868076686 705641932 /nfs/dbraw/zinc/64/19/32/705641932.db2.gz HEOLNXZNCQSHCP-CYBMUJFWSA-N 1 0 281.287 1.606 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@](C)([NH3+])C2)c1 ZINC000700957517 705661297 /nfs/dbraw/zinc/66/12/97/705661297.db2.gz FJXVQPDAECWZOT-CYBMUJFWSA-N 1 0 295.364 1.880 20 5 CDBDRO CNC(=O)CCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866249142 705689251 /nfs/dbraw/zinc/68/92/51/705689251.db2.gz UNPZLBJRYVEZKA-JTQLQIEISA-N 1 0 297.330 1.781 20 5 CDBDRO CC(C)[C@@H]1C[NH2+]CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886841630 705759590 /nfs/dbraw/zinc/75/95/90/705759590.db2.gz RFEOYRJUBPYVQB-LBPRGKRZSA-N 1 0 264.329 1.420 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000226130170 705813884 /nfs/dbraw/zinc/81/38/84/705813884.db2.gz KVWQVCYMHSIMCA-SNVBAGLBSA-N 1 0 281.287 1.558 20 5 CDBDRO Cc1ccc(-c2noc(COCC[NH3+])n2)cc1[N+](=O)[O-] ZINC000843178455 705893557 /nfs/dbraw/zinc/89/35/57/705893557.db2.gz FKTMGKOPZGWTHJ-UHFFFAOYSA-N 1 0 278.268 1.429 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccn(C)n1 ZINC000839195663 706054090 /nfs/dbraw/zinc/05/40/90/706054090.db2.gz DMXJNWDTFOBUDY-QMTHXVAHSA-N 1 0 290.323 1.713 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)[NH+](C)C ZINC000873984826 706054796 /nfs/dbraw/zinc/05/47/96/706054796.db2.gz NFSNPCUBNZSBSS-SNVBAGLBSA-N 1 0 279.340 1.892 20 5 CDBDRO C[C@@H]1CCC[C@@](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])([NH+](C)C)C1 ZINC000839570602 706111783 /nfs/dbraw/zinc/11/17/83/706111783.db2.gz GLRVLVQCGOUDTA-HKUMRIAESA-N 1 0 283.372 1.278 20 5 CDBDRO CC(C)[C@@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000843147962 706114798 /nfs/dbraw/zinc/11/47/98/706114798.db2.gz JWNPQYUFFAXCGP-MRVPVSSYSA-N 1 0 251.246 1.629 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[C@H](O)C2)c(F)c1 ZINC000720941694 706116627 /nfs/dbraw/zinc/11/66/27/706116627.db2.gz XVSWEHHOSPLRJC-JLIMDTESSA-N 1 0 254.261 1.594 20 5 CDBDRO CCOCC[N@H+](CC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583128 706120863 /nfs/dbraw/zinc/12/08/63/706120863.db2.gz XFSTVHLIXRWMBE-AWEZNQCLSA-N 1 0 282.340 1.987 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)C[C@H]2CCCO2)cs1 ZINC000886228735 706131860 /nfs/dbraw/zinc/13/18/60/706131860.db2.gz FKWZLMJJYVOXCB-GHMZBOCLSA-N 1 0 286.353 1.676 20 5 CDBDRO C[NH2+]C[C@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886827801 706148737 /nfs/dbraw/zinc/14/87/37/706148737.db2.gz RQMMPHCHQXSUIO-SNVBAGLBSA-N 1 0 250.302 1.031 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@H]2CCSC2)cc1 ZINC000877831825 706206392 /nfs/dbraw/zinc/20/63/92/706206392.db2.gz AHIBFVSAISZHJH-CYZMBNFOSA-N 1 0 298.364 1.084 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC(=O)N(C)C ZINC000866251179 706235774 /nfs/dbraw/zinc/23/57/74/706235774.db2.gz JRJOLBBFEPQJBA-JTQLQIEISA-N 1 0 297.330 1.733 20 5 CDBDRO CC[C@@H]([NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)C(=O)NC ZINC000873129469 706248531 /nfs/dbraw/zinc/24/85/31/706248531.db2.gz NIOIHRQIDRMYSD-GFCCVEGCSA-N 1 0 279.340 1.826 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H](CF)C2)cc1 ZINC000880298959 709615110 /nfs/dbraw/zinc/61/51/10/709615110.db2.gz MNSWBGDMWHYZML-GXFFZTMASA-N 1 0 268.288 1.920 20 5 CDBDRO C[N@H+](CCO)CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000884825114 709775083 /nfs/dbraw/zinc/77/50/83/709775083.db2.gz FYGZWIOHDZWEOQ-UHFFFAOYSA-N 1 0 290.323 1.479 20 5 CDBDRO [NH3+]CCOCc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000843218857 709780290 /nfs/dbraw/zinc/78/02/90/709780290.db2.gz GZCHVBZTARNLLN-UHFFFAOYSA-N 1 0 270.270 1.182 20 5 CDBDRO CC(C)N(CC[NH+](C)C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000827203551 709814785 /nfs/dbraw/zinc/81/47/85/709814785.db2.gz VETLUXWRTXOEBC-UHFFFAOYSA-N 1 0 273.377 1.621 20 5 CDBDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](CC[N+](=O)[O-])C2)nc1 ZINC000791055427 709887621 /nfs/dbraw/zinc/88/76/21/709887621.db2.gz UKEOHZIYWLINKB-GFCCVEGCSA-N 1 0 292.339 1.317 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCC2(O)CCC2)cc1 ZINC000819376320 710134331 /nfs/dbraw/zinc/13/43/31/710134331.db2.gz ZTSKDKRIIAIIOM-CQSZACIVSA-N 1 0 294.351 1.913 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCC[C@H](O)C2)cc1 ZINC000300699028 710313062 /nfs/dbraw/zinc/31/30/62/710313062.db2.gz RENULGUNLOFGDW-BYCMXARLSA-N 1 0 294.351 1.769 20 5 CDBDRO CCCN(CC(=O)OC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776577914 710325021 /nfs/dbraw/zinc/32/50/21/710325021.db2.gz ARPCLLXVUIRLNA-ZDUSSCGKSA-N 1 0 296.323 1.513 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1C[C@@H]2C[C@H]1CS2 ZINC000886243268 710334914 /nfs/dbraw/zinc/33/49/14/710334914.db2.gz TZYIRVIQXQFEOO-UWVGGRQHSA-N 1 0 251.311 1.680 20 5 CDBDRO NCC(F)(F)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000162582721 710337030 /nfs/dbraw/zinc/33/70/30/710337030.db2.gz COGSEHFNXZHKRN-UHFFFAOYSA-N 1 0 293.657 1.572 20 5 CDBDRO COCC[C@@H](CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000311281904 710347049 /nfs/dbraw/zinc/34/70/49/710347049.db2.gz LZXLPKZOROIRSW-NSHDSACASA-N 1 0 288.731 1.735 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCCN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420411696 710359932 /nfs/dbraw/zinc/35/99/32/710359932.db2.gz XXGPXJSGMXLEKP-HNNXBMFYSA-N 1 0 291.351 1.802 20 5 CDBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1csc([N+](=O)[O-])c1 ZINC000870976288 710402572 /nfs/dbraw/zinc/40/25/72/710402572.db2.gz XUAMEBJFYCPHFI-GUDFOSOFSA-N 1 0 295.364 1.917 20 5 CDBDRO CS(=O)(=O)c1ccc(NC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000131913173 710461720 /nfs/dbraw/zinc/46/17/20/710461720.db2.gz RMWVBCLNHXCFQC-SECBINFHSA-N 1 0 299.352 1.020 20 5 CDBDRO C[C@@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000216578276 710472550 /nfs/dbraw/zinc/47/25/50/710472550.db2.gz BMXRVXHTNZGMQX-QDDUCLRZSA-N 1 0 289.335 1.804 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCOC2)c1 ZINC000818974795 710500322 /nfs/dbraw/zinc/50/03/22/710500322.db2.gz FOGFMKFJFKFRRR-GWCFXTLKSA-N 1 0 266.297 1.254 20 5 CDBDRO CC1(C)CN(c2ccnc(F)c2[N+](=O)[O-])CCN1CCO ZINC000882232090 710579583 /nfs/dbraw/zinc/57/95/83/710579583.db2.gz MPSBHQJBXBZBPA-UHFFFAOYSA-N 1 0 298.318 1.022 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825068353 710610662 /nfs/dbraw/zinc/61/06/62/710610662.db2.gz OAQVECASXYMWOJ-MRVPVSSYSA-N 1 0 285.731 1.862 20 5 CDBDRO [NH3+][C@@]12CCC[C@H]1CN(Cc1cccnc1[N+](=O)[O-])C2 ZINC000886841103 710636527 /nfs/dbraw/zinc/63/65/27/710636527.db2.gz CACAGRLXCFICLS-WCQYABFASA-N 1 0 262.313 1.303 20 5 CDBDRO Cc1c(Cc2noc(COCC[NH3+])n2)cccc1[N+](=O)[O-] ZINC000843192132 710666124 /nfs/dbraw/zinc/66/61/24/710666124.db2.gz RKBHSJGPCFGAND-UHFFFAOYSA-N 1 0 292.295 1.352 20 5 CDBDRO COc1cccc(C(=O)NCCCCCC[NH3+])c1[N+](=O)[O-] ZINC000843512837 710802853 /nfs/dbraw/zinc/80/28/53/710802853.db2.gz RNZYCUNLCQGCJL-UHFFFAOYSA-N 1 0 295.339 1.852 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2=CCCOC2)c1 ZINC000819313489 710803864 /nfs/dbraw/zinc/80/38/64/710803864.db2.gz HATKWHXGMGOFHO-AWEZNQCLSA-N 1 0 278.308 1.565 20 5 CDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700627588 710824326 /nfs/dbraw/zinc/82/43/26/710824326.db2.gz HOQYTAHQQRNWSM-SECBINFHSA-N 1 0 297.742 1.978 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000070447258 710850667 /nfs/dbraw/zinc/85/06/67/710850667.db2.gz WXWDCZIAOBRXJH-LLVKDONJSA-N 1 0 285.731 1.961 20 5 CDBDRO C[C@@H](CO)CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819190651 711380302 /nfs/dbraw/zinc/38/03/02/711380302.db2.gz KYYIAHWRNRSFNL-RISCZKNCSA-N 1 0 282.340 1.626 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCCC[C@@H]2CO)c1 ZINC000847016597 711382793 /nfs/dbraw/zinc/38/27/93/711382793.db2.gz LQNNPKZKMQHJNP-HUUCEWRRSA-N 1 0 294.351 1.865 20 5 CDBDRO C[C@@H]1C[C@@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818957696 711515757 /nfs/dbraw/zinc/51/57/57/711515757.db2.gz ZGRCFVCGJKHDNY-XWIASGKRSA-N 1 0 250.298 1.874 20 5 CDBDRO COC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815579842 711551849 /nfs/dbraw/zinc/55/18/49/711551849.db2.gz WLHJBWFVKJZAMG-ZANVPECISA-N 1 0 283.328 1.225 20 5 CDBDRO CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H](C)OC ZINC000812909287 711590567 /nfs/dbraw/zinc/59/05/67/711590567.db2.gz VZYDRVPTBYYYOF-FZMZJTMJSA-N 1 0 282.340 1.985 20 5 CDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](CF)C2)c([N+](=O)[O-])c1 ZINC000880232565 711684208 /nfs/dbraw/zinc/68/42/08/711684208.db2.gz CKUHERJVGVUNQL-SNVBAGLBSA-N 1 0 295.314 1.875 20 5 CDBDRO O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022064111 711700189 /nfs/dbraw/zinc/70/01/89/711700189.db2.gz WTXVLWBNMHNLEU-XJFOESAGSA-N 1 0 295.383 1.469 20 5 CDBDRO O=C1NCCC12CC[NH+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000877783396 711718154 /nfs/dbraw/zinc/71/81/54/711718154.db2.gz RJFAPBFIJNMXHD-UHFFFAOYSA-N 1 0 289.335 1.697 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834900311 711776982 /nfs/dbraw/zinc/77/69/82/711776982.db2.gz NSLCASXEIMHCMP-IUCAKERBSA-N 1 0 280.328 1.352 20 5 CDBDRO O=[N+]([O-])c1ccc(Cc2noc([C@]3(F)CC[NH2+]C3)n2)nc1 ZINC000843191965 711792098 /nfs/dbraw/zinc/79/20/98/711792098.db2.gz PNQDYMQDXMGBRZ-LBPRGKRZSA-N 1 0 293.258 1.122 20 5 CDBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841010805 711797680 /nfs/dbraw/zinc/79/76/80/711797680.db2.gz IDYCQANUQZGZDY-VROVMSAKSA-N 1 0 296.714 1.588 20 5 CDBDRO C[NH2+]CCc1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000823269017 711820988 /nfs/dbraw/zinc/82/09/88/711820988.db2.gz BQEFJVXMDCHERQ-UHFFFAOYSA-N 1 0 262.269 1.715 20 5 CDBDRO [NH2+]=C(NCCc1ccccc1[N+](=O)[O-])NC1CCC1 ZINC000849009923 711829897 /nfs/dbraw/zinc/82/98/97/711829897.db2.gz LAZDOTWKDNWFEO-UHFFFAOYSA-N 1 0 262.313 1.804 20 5 CDBDRO C[C@@H]([NH2+]C1CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000036330958 711838957 /nfs/dbraw/zinc/83/89/57/711838957.db2.gz IFQTUJADPZTBDM-SNVBAGLBSA-N 1 0 298.364 1.823 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC001165037355 721891147 /nfs/dbraw/zinc/89/11/47/721891147.db2.gz CLRMEWQDSHJATK-SNVBAGLBSA-N 1 0 295.343 1.232 20 5 CDBDRO CC(C)N(C)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335366659 1167476223 /nfs/dbraw/zinc/47/62/23/1167476223.db2.gz OFGSCLNEAVFSOL-CQSZACIVSA-N 1 0 281.356 1.558 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC(C)([NH3+])C2)c1F ZINC001173181389 912280087 /nfs/dbraw/zinc/28/00/87/912280087.db2.gz VFVGKRMULVNGCO-VIFPVBQESA-N 1 0 297.330 1.707 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(-n2ccnc2C(N)=[NH2+])c1F ZINC001168420314 912280469 /nfs/dbraw/zinc/28/04/69/912280469.db2.gz UKBKECNUWWWQRZ-UHFFFAOYSA-N 1 0 263.232 1.512 20 5 CDBDRO CC[C@@H](CO)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217503 912301118 /nfs/dbraw/zinc/30/11/18/912301118.db2.gz VTUNCYFJZPVJOQ-PWSUYJOCSA-N 1 0 252.314 1.886 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC([NH+](C)C)C1 ZINC001173224400 912309820 /nfs/dbraw/zinc/30/98/20/912309820.db2.gz FJBUFRKNOYXZAE-NSHDSACASA-N 1 0 263.341 1.772 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC001173223033 912309903 /nfs/dbraw/zinc/30/99/03/912309903.db2.gz WPOFYKWXNUSPDR-MJVIPROJSA-N 1 0 264.325 1.838 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C=CS(=O)(=O)C1 ZINC001173214811 912334950 /nfs/dbraw/zinc/33/49/50/912334950.db2.gz QJUVQJGJJQJONW-JQWIXIFHSA-N 1 0 296.348 1.426 20 5 CDBDRO C[N@@H+]1CCCC12CCN(c1cc(N)c([N+](=O)[O-])cn1)CC2 ZINC001120914141 912662686 /nfs/dbraw/zinc/66/26/86/912662686.db2.gz LLATZCQIOUWXTI-UHFFFAOYSA-N 1 0 291.355 1.637 20 5 CDBDRO Cc1nc(-n2ccnc2[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001167056084 894066729 /nfs/dbraw/zinc/06/67/29/894066729.db2.gz NUHRAQAODLTSBM-NSHDSACASA-N 1 0 287.323 1.951 20 5 CDBDRO COc1cnc(-n2ccc3cc(C[NH3+])cnc32)cc1[N+](=O)[O-] ZINC001167308134 895193645 /nfs/dbraw/zinc/19/36/45/895193645.db2.gz FXMRCDWFGNPCHN-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1ncc2cccc([N+](=O)[O-])c2n1 ZINC001167692802 898309069 /nfs/dbraw/zinc/30/90/69/898309069.db2.gz NCAVCLAJZHVEOC-UHFFFAOYSA-N 1 0 296.290 1.267 20 5 CDBDRO COCCC[NH+]1CCC(Oc2cccnc2[N+](=O)[O-])CC1 ZINC001225633910 903431123 /nfs/dbraw/zinc/43/11/23/903431123.db2.gz VXKHYSVQYAMDTN-UHFFFAOYSA-N 1 0 295.339 1.870 20 5 CDBDRO COc1cc(O[C@H](C)C[NH+](C)C)ncc1[N+](=O)[O-] ZINC001226582699 905359803 /nfs/dbraw/zinc/35/98/03/905359803.db2.gz ZPPQPMVLSDMFDB-MRVPVSSYSA-N 1 0 255.274 1.327 20 5 CDBDRO COc1cnc(NC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001168184415 907729017 /nfs/dbraw/zinc/72/90/17/907729017.db2.gz YVUNRRVMZXOXEN-UHFFFAOYSA-N 1 0 266.301 1.552 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2(C)CC[NH2+]CC2)c1 ZINC001168188441 907779529 /nfs/dbraw/zinc/77/95/29/907779529.db2.gz WEDWUWKIPKGLKF-UHFFFAOYSA-N 1 0 293.323 1.935 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1-n1cc(C[NH3+])cn1 ZINC001168262448 908029072 /nfs/dbraw/zinc/02/90/72/908029072.db2.gz SHXOKBZAIDLIAY-UHFFFAOYSA-N 1 0 276.252 1.026 20 5 CDBDRO Cc1cc(NCCNC(=O)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001094089655 910324001 /nfs/dbraw/zinc/32/40/01/910324001.db2.gz FEJFFGQOQKOLAZ-UHFFFAOYSA-N 1 0 294.355 1.383 20 5 CDBDRO C[N+](C)(C)CCO[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001224771652 910660635 /nfs/dbraw/zinc/66/06/35/910660635.db2.gz QCMHGAUWUQREQC-AWEZNQCLSA-N 1 0 265.333 1.785 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CC1(O)COC1)CC2 ZINC001172899768 912039052 /nfs/dbraw/zinc/03/90/52/912039052.db2.gz PJOUWVVABPXTJW-ZDUSSCGKSA-N 1 0 292.335 1.193 20 5 CDBDRO CCN(c1ccc([N+](=O)[O-])c(N)n1)[C@H]1CCC[NH2+]C1 ZINC000094261938 915730535 /nfs/dbraw/zinc/73/05/35/915730535.db2.gz UUZMKGJUKZGOGZ-VIFPVBQESA-N 1 0 265.317 1.150 20 5 CDBDRO COc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)cnc1[N+](=O)[O-] ZINC001162400967 922506285 /nfs/dbraw/zinc/50/62/85/922506285.db2.gz JQSPPHPEMZGSBD-BDAKNGLRSA-N 1 0 266.301 1.680 20 5 CDBDRO CCn1ncc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])n1 ZINC000839096787 936903697 /nfs/dbraw/zinc/90/36/97/936903697.db2.gz JMHMCVCCOMHCJE-UHFFFAOYSA-N 1 0 290.327 1.172 20 5 CDBDRO Cc1nc(N2C[C@@H](C)CC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC001164063361 924546308 /nfs/dbraw/zinc/54/63/08/924546308.db2.gz RZOWXQNFJFHHHB-GXSJLCMTSA-N 1 0 264.329 1.862 20 5 CDBDRO [NH3+][C@@H]1CCN(c2ccc3nsnc3c2[N+](=O)[O-])C1 ZINC001164282185 924747357 /nfs/dbraw/zinc/74/73/57/924747357.db2.gz UNKPYUBWIWQWCT-ZCFIWIBFSA-N 1 0 265.298 1.137 20 5 CDBDRO C[NH+](C)C[C@@H]1CCCN1c1ncc(F)cc1[N+](=O)[O-] ZINC001165072598 924966756 /nfs/dbraw/zinc/96/67/56/924966756.db2.gz NHUJDFQWVWRMIZ-JTQLQIEISA-N 1 0 268.292 1.659 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCC[C@@H](O)C2)c1 ZINC000843068096 937110021 /nfs/dbraw/zinc/11/00/21/937110021.db2.gz DJDFCQSMYVPWTD-NILFDRSVSA-N 1 0 294.351 1.769 20 5 CDBDRO Cc1cc(-c2noc(C[C@H](C)[NH3+])n2)cc([N+](=O)[O-])c1 ZINC000843239450 937124669 /nfs/dbraw/zinc/12/46/69/937124669.db2.gz LSHCIZRXWYSIGP-QMMMGPOBSA-N 1 0 262.269 1.843 20 5 CDBDRO O=[N+]([O-])c1cccc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)n1 ZINC001155616640 926984967 /nfs/dbraw/zinc/98/49/67/926984967.db2.gz FMFUBVUATNYPRC-GXFFZTMASA-N 1 0 278.312 1.313 20 5 CDBDRO [NH3+][C@@H]1CCc2nn(-c3c(Cl)nccc3[N+](=O)[O-])cc2C1 ZINC001168811358 927465119 /nfs/dbraw/zinc/46/51/19/927465119.db2.gz KCMJPFWYUWPOGY-MRVPVSSYSA-N 1 0 293.714 1.645 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1-n1cnc2ccc(C[NH3+])cc21 ZINC001168843735 927488374 /nfs/dbraw/zinc/48/83/74/927488374.db2.gz FRYYYIWTTDJRGI-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO O=C1NCc2ccc(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)cc21 ZINC001168984663 927573214 /nfs/dbraw/zinc/57/32/14/927573214.db2.gz PQASMKBAIGBPAM-DGCLKSJQSA-N 1 0 289.335 1.465 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H](O)c1cccc(O)c1 ZINC001168986225 927580063 /nfs/dbraw/zinc/58/00/63/927580063.db2.gz XEOSEWNTEQCYBE-MDHDOXDCSA-N 1 0 294.351 1.849 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCN2CCCCO2)C1 ZINC001168964805 927587336 /nfs/dbraw/zinc/58/73/36/927587336.db2.gz WJHRAVCAAVSQHS-NEPJUHHUSA-N 1 0 257.334 1.049 20 5 CDBDRO Cc1cccn2c(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)nnc12 ZINC001168964790 927587400 /nfs/dbraw/zinc/58/74/00/927587400.db2.gz WGBVVWRWFQYYQU-NWDGAFQWSA-N 1 0 289.339 1.573 20 5 CDBDRO CC(=O)N1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168965635 927588984 /nfs/dbraw/zinc/58/89/84/927588984.db2.gz BIPXYVWCMGZGSA-UPJWGTAASA-N 1 0 269.345 1.032 20 5 CDBDRO CC(=O)N1CCC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168965634 927589135 /nfs/dbraw/zinc/58/91/35/927589135.db2.gz BIPXYVWCMGZGSA-AVGNSLFASA-N 1 0 269.345 1.032 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccnc2F)C1 ZINC001168970271 927593683 /nfs/dbraw/zinc/59/36/83/927593683.db2.gz GXTYNZTUZQFZID-GXSJLCMTSA-N 1 0 253.277 1.756 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)n1C ZINC001168970428 927594351 /nfs/dbraw/zinc/59/43/51/927594351.db2.gz HFBMDHLDZHYLNO-NWDGAFQWSA-N 1 0 251.330 1.869 20 5 CDBDRO COC(=O)[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169001299 927605268 /nfs/dbraw/zinc/60/52/68/927605268.db2.gz FKPXJCDERAWBSN-KXNHARMFSA-N 1 0 270.329 1.363 20 5 CDBDRO Cc1ncc2n1CCN([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169010240 927614017 /nfs/dbraw/zinc/61/40/17/927614017.db2.gz BRMAYLZVDWKPBD-RYUDHWBXSA-N 1 0 264.329 1.453 20 5 CDBDRO COC(=O)[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169013107 927619408 /nfs/dbraw/zinc/61/94/08/927619408.db2.gz TZWMYADQQYVCQV-SRVKXCTJSA-N 1 0 270.329 1.459 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1cnc(Cl)cc1[N+](=O)[O-] ZINC001168986284 927619915 /nfs/dbraw/zinc/61/99/15/927619915.db2.gz XJEAXVUJXGYIRD-UHFFFAOYSA-N 1 0 282.691 1.034 20 5 CDBDRO C[NH2+]Cc1c(C)nn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1C ZINC001169035065 927641469 /nfs/dbraw/zinc/64/14/69/927641469.db2.gz ACIITLMRAZYYBC-VXGBXAGGSA-N 1 0 266.345 1.837 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCc3ncsc3C2)C1 ZINC001169033305 927642453 /nfs/dbraw/zinc/64/24/53/927642453.db2.gz BSXMGTCTBLXWOB-UWVGGRQHSA-N 1 0 267.354 1.947 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(c3ccncn3)CC2)C1 ZINC001169035561 927644902 /nfs/dbraw/zinc/64/49/02/927644902.db2.gz CCEQXWSRTJCSIV-QWHCGFSZSA-N 1 0 291.355 1.044 20 5 CDBDRO O=C1NC[C@]2(CCC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)O1 ZINC001169039243 927649631 /nfs/dbraw/zinc/64/96/31/927649631.db2.gz OMZVUYUEKSAMHH-WZRBSPASSA-N 1 0 283.328 1.006 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](n3ccnn3)C2)C1 ZINC001169044534 927657116 /nfs/dbraw/zinc/65/71/16/927657116.db2.gz IEQYNFHDKQPPSQ-JHJVBQTASA-N 1 0 279.344 1.360 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(N3CCC3)CC2)C1 ZINC001169052550 927669979 /nfs/dbraw/zinc/66/99/79/927669979.db2.gz HEJGJPQYISKVFO-JSGCOSHPSA-N 1 0 267.373 1.602 20 5 CDBDRO Nc1ccnc(-n2cc(CC[NH3+])c3ncccc32)c1[N+](=O)[O-] ZINC001169709546 928363715 /nfs/dbraw/zinc/36/37/15/928363715.db2.gz WQUYKYXHMUFAFN-UHFFFAOYSA-N 1 0 298.306 1.412 20 5 CDBDRO COc1ncnc(N2CC[C@@H]([N@H+](C)C(C)C)C2)c1[N+](=O)[O-] ZINC001157009305 929102705 /nfs/dbraw/zinc/10/27/05/929102705.db2.gz GRWLIHPWQROOOV-SNVBAGLBSA-N 1 0 295.343 1.312 20 5 CDBDRO CC(C)(C)c1cnc(N[C@H]2C[NH2+]C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001170773921 929920867 /nfs/dbraw/zinc/92/08/67/929920867.db2.gz KJCJBRJOGNGLJO-ONGXEEELSA-N 1 0 294.355 1.280 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC001170862624 930499883 /nfs/dbraw/zinc/49/98/83/930499883.db2.gz JOGGSQRECAQXET-CYBMUJFWSA-N 1 0 276.296 1.612 20 5 CDBDRO [NH3+]Cc1nccnc1Nc1cc(Cl)cc([N+](=O)[O-])n1 ZINC001160246465 931316437 /nfs/dbraw/zinc/31/64/37/931316437.db2.gz UOGZVOWSUUUGIL-UHFFFAOYSA-N 1 0 280.675 1.636 20 5 CDBDRO [NH3+]Cc1cn(-c2ccc3c(cccc3[N+](=O)[O-])n2)cn1 ZINC001154906136 937602418 /nfs/dbraw/zinc/60/24/18/937602418.db2.gz BYWFODIMODFOFX-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO COc1ccc(NC[C@@H]2CCCC[NH2+]2)nc1[N+](=O)[O-] ZINC001171329086 932688526 /nfs/dbraw/zinc/68/85/26/932688526.db2.gz UTABQWZTINAAQN-VIFPVBQESA-N 1 0 266.301 1.552 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(NC[C@@H]3C[C@H](F)C[NH2+]3)cnc2c1 ZINC001155034205 937624344 /nfs/dbraw/zinc/62/43/44/937624344.db2.gz WTFCVXVHCJSNAJ-IUCAKERBSA-N 1 0 291.286 1.650 20 5 CDBDRO Cn1cccc1CNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001155217849 937650098 /nfs/dbraw/zinc/65/00/98/937650098.db2.gz WKOURIBWYRJEBA-UHFFFAOYSA-N 1 0 288.311 1.022 20 5 CDBDRO CC(C)OCCOC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000930661178 933423784 /nfs/dbraw/zinc/42/37/84/933423784.db2.gz GTGRGCUECSNPRV-UHFFFAOYSA-N 1 0 260.334 1.169 20 5 CDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@H](C)C[NH+](C)C ZINC001155915540 937688364 /nfs/dbraw/zinc/68/83/64/937688364.db2.gz IIBWNIRFLFGBSZ-SECBINFHSA-N 1 0 296.327 1.529 20 5 CDBDRO COc1cc(N[C@H](C)C[NH+](C)C)ncc1[N+](=O)[O-] ZINC001155916584 937688617 /nfs/dbraw/zinc/68/86/17/937688617.db2.gz OELYVSXLBIQKIS-MRVPVSSYSA-N 1 0 254.290 1.360 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001121991808 937897415 /nfs/dbraw/zinc/89/74/15/937897415.db2.gz AXQQMWCFJHEVNQ-KBPBESRZSA-N 1 0 291.351 1.766 20 5 CDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1CCC1 ZINC001122456869 937933757 /nfs/dbraw/zinc/93/37/57/937933757.db2.gz PHVRUJLSXIIIAD-UHFFFAOYSA-N 1 0 283.353 1.662 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001156038461 938313010 /nfs/dbraw/zinc/31/30/10/938313010.db2.gz SQMMRERVAWGOLL-UHFFFAOYSA-N 1 0 267.676 1.596 20 5 CDBDRO CC(C)[NH+]1CCC(CNc2cc([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001156495154 938375781 /nfs/dbraw/zinc/37/57/81/938375781.db2.gz RMLZPMHENKFRAN-UHFFFAOYSA-N 1 0 294.355 1.761 20 5 CDBDRO Nc1cc(-n2ccc3cc(C[NH3+])cnc32)ncc1[N+](=O)[O-] ZINC001156594430 938390834 /nfs/dbraw/zinc/39/08/34/938390834.db2.gz HHBKCUPLNJBBHB-UHFFFAOYSA-N 1 0 284.279 1.370 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(-n2ccc(CC[NH3+])n2)n1 ZINC001156898336 938431104 /nfs/dbraw/zinc/43/11/04/938431104.db2.gz LLWPEJIHQSUWHW-UHFFFAOYSA-N 1 0 261.285 1.294 20 5 CDBDRO CC(C)[N@H+](C)[C@@H]1CCN(c2nc(Cl)ncc2[N+](=O)[O-])C1 ZINC001157000991 938444936 /nfs/dbraw/zinc/44/49/36/938444936.db2.gz KGDWYXOGACYYOP-SECBINFHSA-N 1 0 299.762 1.957 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3N)C[C@@H]21 ZINC001157272554 938473905 /nfs/dbraw/zinc/47/39/05/938473905.db2.gz OHBYWCWWRKCWSM-SKDRFNHKSA-N 1 0 277.328 1.102 20 5 CDBDRO Cc1nc(N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001157283242 938475109 /nfs/dbraw/zinc/47/51/09/938475109.db2.gz TVSDMFGHMOOIET-PWSUYJOCSA-N 1 0 277.328 1.224 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1N1CCCC[C@@]12CCC[NH2+]C2 ZINC001157472704 938498595 /nfs/dbraw/zinc/49/85/95/938498595.db2.gz HDZAMSJPZWOKCV-AWEZNQCLSA-N 1 0 291.355 1.685 20 5 CDBDRO CCC[N@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])c(N)n3)C[C@H]2C1 ZINC001157691322 938532598 /nfs/dbraw/zinc/53/25/98/938532598.db2.gz IJQYLZVDDPOSNE-PHIMTYICSA-N 1 0 291.355 1.350 20 5 CDBDRO O=C(NCCC[NH2+]CCCC1CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767240 938542832 /nfs/dbraw/zinc/54/28/32/938542832.db2.gz JOTSEPBYPKGOKJ-CHWSQXEVSA-N 1 0 283.372 1.328 20 5 CDBDRO Cc1nc(N2CC[C@@](F)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC001157809518 938549060 /nfs/dbraw/zinc/54/90/60/938549060.db2.gz QWUZNIALIAFAGS-LLVKDONJSA-N 1 0 254.265 1.175 20 5 CDBDRO C[NH2+]CCN(c1nc(Cl)ncc1[N+](=O)[O-])C(C)(C)C ZINC001157825632 938552204 /nfs/dbraw/zinc/55/22/04/938552204.db2.gz NKQIPEQKOOQFHQ-UHFFFAOYSA-N 1 0 287.751 1.863 20 5 CDBDRO Cc1cnc(C[NH3+])n1-c1ncc([N+](=O)[O-])c(C)c1C ZINC001158163754 938589048 /nfs/dbraw/zinc/58/90/48/938589048.db2.gz CHXNNECVQPHXGK-UHFFFAOYSA-N 1 0 261.285 1.559 20 5 CDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1ccc(C[NH3+])c1 ZINC001158766539 938661737 /nfs/dbraw/zinc/66/17/37/938661737.db2.gz HLHAHIGWODBUMH-UHFFFAOYSA-N 1 0 290.279 1.416 20 5 CDBDRO Cc1cnc(N[C@H](C)[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC001159489965 938732127 /nfs/dbraw/zinc/73/21/27/938732127.db2.gz SGKOIBGASJBWTL-MWLCHTKSSA-N 1 0 266.301 1.087 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)[C@@H]2C[NH2+]CCO2)n1 ZINC001159498691 938734620 /nfs/dbraw/zinc/73/46/20/938734620.db2.gz MEFSCDOAAUJACY-QWRGUYRKSA-N 1 0 280.328 1.395 20 5 CDBDRO COc1cc(Nc2ccc(C[NH3+])nc2)ncc1[N+](=O)[O-] ZINC001160402010 938784406 /nfs/dbraw/zinc/78/44/06/938784406.db2.gz IOSPRQOONDIEMT-UHFFFAOYSA-N 1 0 275.268 1.596 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1-n1c(C[NH3+])nc2cnccc21 ZINC001162214488 938962409 /nfs/dbraw/zinc/96/24/09/938962409.db2.gz HKIANZOUBOJWOL-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO C[C@@]1([NH3+])C[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001162332261 939026392 /nfs/dbraw/zinc/02/63/92/939026392.db2.gz XMXSRZYXBDHOCM-KTLJEJPDSA-N 1 0 273.296 1.830 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](Nc2cc([N+](=O)[O-])c3nccn3c2)C1 ZINC001162402700 939045827 /nfs/dbraw/zinc/04/58/27/939045827.db2.gz VRYTZVHUMTXULV-ZJUUUORDSA-N 1 0 275.312 1.924 20 5 CDBDRO Nc1cc(Nc2ccc(C[NH3+])c(F)c2)ncc1[N+](=O)[O-] ZINC001162524455 939078396 /nfs/dbraw/zinc/07/83/96/939078396.db2.gz CYSTZFBGOODTSM-UHFFFAOYSA-N 1 0 277.259 1.913 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@]2(F)CCCC[NH2+]C2)nc1 ZINC001162574044 939091480 /nfs/dbraw/zinc/09/14/80/939091480.db2.gz WSFNDNOINSJMSA-NSHDSACASA-N 1 0 269.280 1.279 20 5 CDBDRO COc1nc(NC2CC3(C2)CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001162981318 939168801 /nfs/dbraw/zinc/16/88/01/939168801.db2.gz ZNJOFOKKHNSHEH-UHFFFAOYSA-N 1 0 293.327 1.338 20 5 CDBDRO Cc1nc(NC2CC3(C2)CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001162987646 939169874 /nfs/dbraw/zinc/16/98/74/939169874.db2.gz XMCNPMVCTCELOI-UHFFFAOYSA-N 1 0 277.328 1.637 20 5 CDBDRO Cc1c(F)cc([N+](=O)[O-])cc1N[C@@H]1COCCC12C[NH2+]C2 ZINC001163080412 939193213 /nfs/dbraw/zinc/19/32/13/939193213.db2.gz FWXPQZORWXISTB-CYBMUJFWSA-N 1 0 295.314 1.833 20 5 CDBDRO Cc1cc(Cl)c(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)c([N+](=O)[O-])c1 ZINC001163147679 939213609 /nfs/dbraw/zinc/21/36/09/939213609.db2.gz HBIFHITZQGJLPK-FBIMIBRVSA-N 1 0 297.742 1.955 20 5 CDBDRO O=[N+]([O-])c1cc(NC[C@@]23C[NH2+][C@@H](CO2)C3)cc2cc[nH]c21 ZINC001163203176 939224936 /nfs/dbraw/zinc/22/49/36/939224936.db2.gz UMZWMUZJHYQOJB-RISCZKNCSA-N 1 0 288.307 1.619 20 5 CDBDRO Cc1nnc(C[NH3+])n1-c1nc(Cl)c(C)cc1[N+](=O)[O-] ZINC001163346291 939252465 /nfs/dbraw/zinc/25/24/65/939252465.db2.gz MXVBYQJQOHNSFI-UHFFFAOYSA-N 1 0 282.691 1.299 20 5 CDBDRO CCOc1cc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)ccc1[N+](=O)[O-] ZINC001163348257 939253615 /nfs/dbraw/zinc/25/36/15/939253615.db2.gz XQWQARIIAKYSBB-SUNKGSAMSA-N 1 0 293.323 1.535 20 5 CDBDRO COc1cc(N(C)CCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001163596215 939291815 /nfs/dbraw/zinc/29/18/15/939291815.db2.gz XPXXRTWEWUXDNM-UHFFFAOYSA-N 1 0 268.317 1.386 20 5 CDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1N[C@H](C)C[NH+](C)C ZINC001163777148 939328525 /nfs/dbraw/zinc/32/85/25/939328525.db2.gz SEXAXEIWQLMXAY-MRVPVSSYSA-N 1 0 296.327 1.447 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N(CC[NH3+])CCO ZINC001163839933 939340063 /nfs/dbraw/zinc/34/00/63/939340063.db2.gz UMWOIMFSTVXLDR-UHFFFAOYSA-N 1 0 297.355 1.448 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC2(CC([NH3+])C2)CC1 ZINC001165242877 939531920 /nfs/dbraw/zinc/53/19/20/939531920.db2.gz CDNRKBZEEORLMH-UHFFFAOYSA-N 1 0 292.339 1.244 20 5 CDBDRO [NH3+]CC1(F)CCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001165261647 939535930 /nfs/dbraw/zinc/53/59/30/939535930.db2.gz ARIBCERMGITQJX-UHFFFAOYSA-N 1 0 299.262 1.165 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)n1 ZINC001165429926 939563673 /nfs/dbraw/zinc/56/36/73/939563673.db2.gz KWKWXOYEVSWENB-ZJUUUORDSA-N 1 0 295.318 1.206 20 5 CDBDRO CC(=O)Nc1ccc(-n2ccnc2CC[NH3+])cc1[N+](=O)[O-] ZINC001166369746 939606438 /nfs/dbraw/zinc/60/64/38/939606438.db2.gz LEIZNFHNCHJIGZ-UHFFFAOYSA-N 1 0 289.295 1.240 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]([NH3+])C(F)(F)C1 ZINC001166960218 939660785 /nfs/dbraw/zinc/66/07/85/939660785.db2.gz NWCJPHQNJAFOPI-VIFPVBQESA-N 1 0 272.255 1.471 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OC[C@@H]1COc2ccccc2O1 ZINC001206348103 940024111 /nfs/dbraw/zinc/02/41/11/940024111.db2.gz WSUGIGCFOZLHLA-QWHCGFSZSA-N 1 0 266.361 1.938 20 5 CDBDRO CC(=O)N1CCC(CO[C@H](C)C[N+](C)(C)C)CC1 ZINC001224283885 941737440 /nfs/dbraw/zinc/73/74/40/941737440.db2.gz IXGCKJDDLCEGOP-GFCCVEGCSA-N 1 0 257.398 1.356 20 5 CDBDRO Cc1ccnc(O[C@@H](C)C[N+](C)(C)C)c1[N+](=O)[O-] ZINC001226118933 941953735 /nfs/dbraw/zinc/95/37/35/941953735.db2.gz NAOCURPTBDWJKG-JTQLQIEISA-N 1 0 254.310 1.772 20 5 CDBDRO CN1[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])nc3)[C@H]1CC(=O)C2 ZINC001226709251 942054606 /nfs/dbraw/zinc/05/46/06/942054606.db2.gz HACAFDFNAYXTNE-AXTRIDKLSA-N 1 0 277.280 1.173 20 5 CDBDRO Cc1cnc(OC[C@@H]2CN(C)CCO2)c([N+](=O)[O-])c1 ZINC001227236760 942154390 /nfs/dbraw/zinc/15/43/90/942154390.db2.gz JQSKYHQGDQUXTA-JTQLQIEISA-N 1 0 267.285 1.008 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1[nH]c(=S)nc2nc[nH]c21 ZINC001227615971 942197485 /nfs/dbraw/zinc/19/74/85/942197485.db2.gz HZOXFWBDCWHBRW-ZETCQYMHSA-O 1 0 268.366 1.115 20 5 CDBDRO CC(C)Oc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001228582594 942337620 /nfs/dbraw/zinc/33/76/20/942337620.db2.gz BMGQHHUQUCSAMM-CYBMUJFWSA-N 1 0 296.387 1.836 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1noc2cccc(F)c21 ZINC001228715507 942366616 /nfs/dbraw/zinc/36/66/16/942366616.db2.gz GVJMFAOLBWQZOW-SECBINFHSA-N 1 0 297.306 1.330 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc([C@H]2NC(=O)NC2=O)cc1 ZINC001229789023 942531288 /nfs/dbraw/zinc/53/12/88/942531288.db2.gz YGGQNXSGNBAQMY-GXFFZTMASA-O 1 0 292.359 1.041 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC001230312166 942604612 /nfs/dbraw/zinc/60/46/12/942604612.db2.gz DDOUHTUBEKPTID-VIFPVBQESA-N 1 0 281.268 1.976 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2[nH]ccc2c1F ZINC001230766761 942690729 /nfs/dbraw/zinc/69/07/29/942690729.db2.gz QAOISOZYIDOVGU-SNVBAGLBSA-N 1 0 295.334 1.670 20 5 CDBDRO CCc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)nc1 ZINC001230846190 942711677 /nfs/dbraw/zinc/71/16/77/942711677.db2.gz ZEVCOIOOYCPRGX-GFCCVEGCSA-N 1 0 267.349 1.007 20 5 CDBDRO COc1ccc(C(N)=O)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001231291516 942845890 /nfs/dbraw/zinc/84/58/90/942845890.db2.gz YRDRGEXHBXFQDN-JTQLQIEISA-O 1 0 267.349 1.268 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(c1)C(=O)CO2 ZINC001233680770 943639253 /nfs/dbraw/zinc/63/92/53/943639253.db2.gz NODJUWJYWGHCQF-SNVBAGLBSA-N 1 0 250.318 1.735 20 5 CDBDRO O=[N+]([O-])c1ccc(Cc2noc([C@@H]3[NH2+]C[C@@H]4C[C@@H]43)n2)nc1 ZINC001261837979 946293513 /nfs/dbraw/zinc/29/35/13/946293513.db2.gz SNFKRQARFBGBRB-VIRWGQHYSA-N 1 0 287.279 1.244 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC(O)C1 ZINC001254530830 947506703 /nfs/dbraw/zinc/50/67/03/947506703.db2.gz BEBMMEGMIIFTTF-OIKLOGQESA-N 1 0 250.298 1.639 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COC(=O)C1 ZINC001254539728 947517619 /nfs/dbraw/zinc/51/76/19/947517619.db2.gz KEGRZBGURTXOAL-ONGXEEELSA-N 1 0 264.281 1.431 20 5 CDBDRO CO[C@@H]1C[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC001254550481 947520953 /nfs/dbraw/zinc/52/09/53/947520953.db2.gz KPZQRDRPUGRRAR-TUKIKUTGSA-N 1 0 294.351 1.871 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](O)C1 ZINC001254550651 947521947 /nfs/dbraw/zinc/52/19/47/947521947.db2.gz NWBLDOAUIURAFD-ZYHUDNBSSA-N 1 0 250.298 1.592 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCO[C@H](CO)C1 ZINC001254553167 947522115 /nfs/dbraw/zinc/52/21/15/947522115.db2.gz UAOZAKVGMBCVIT-YPMHNXCESA-N 1 0 280.324 1.219 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(CO)C1 ZINC001254561285 947526510 /nfs/dbraw/zinc/52/65/10/947526510.db2.gz FTCLPAHRDIJLGF-JTQLQIEISA-N 1 0 250.298 1.450 20 5 CDBDRO CN1C(=O)CC[C@H]1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254574543 947532402 /nfs/dbraw/zinc/53/24/02/947532402.db2.gz IDCCHQPIRXUOPS-OCCSQVGLSA-N 1 0 289.335 1.272 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573808 947532984 /nfs/dbraw/zinc/53/29/84/947532984.db2.gz CIRIUEGAIVERKH-KBPBESRZSA-N 1 0 261.325 1.485 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1COCCO1)C2 ZINC001254574390 947533966 /nfs/dbraw/zinc/53/39/66/947533966.db2.gz GSZGLVACKYDELW-JSGCOSHPSA-N 1 0 278.308 1.067 20 5 CDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254582000 947538579 /nfs/dbraw/zinc/53/85/79/947538579.db2.gz RPYMUZVLBRNONF-FPMFFAJLSA-N 1 0 276.336 1.811 20 5 CDBDRO COC(=O)CC[N@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254609807 947553448 /nfs/dbraw/zinc/55/34/48/947553448.db2.gz YLUKNDGXKMGQOQ-ZDUSSCGKSA-N 1 0 278.308 1.557 20 5 CDBDRO C[C@H]1CC[C@H](N[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[NH2+]1 ZINC001246080053 947933000 /nfs/dbraw/zinc/93/30/00/947933000.db2.gz MUTWFIORBVQKPJ-BPNCWPANSA-N 1 0 275.352 1.792 20 5 CDBDRO NC[C@]1(F)CCCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246572803 948297089 /nfs/dbraw/zinc/29/70/89/948297089.db2.gz BIGDWEADDUWPAJ-YNEHKIRRSA-N 1 0 273.352 1.585 20 5 CDBDRO COc1ccc(C[C@@H](C)N2CC(C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246597820 948333915 /nfs/dbraw/zinc/33/39/15/948333915.db2.gz NKQJCMMYJFRKAY-LLVKDONJSA-N 1 0 293.367 1.815 20 5 CDBDRO N[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1(F)F ZINC001246603324 948338275 /nfs/dbraw/zinc/33/82/75/948338275.db2.gz YLJFOWHDSBKELK-LPEHRKFASA-N 1 0 263.288 1.100 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[NH2+]C[C@H]21 ZINC001246922894 948522076 /nfs/dbraw/zinc/52/20/76/948522076.db2.gz XFDPVJBXSQXUQT-SCDSUCTJSA-N 1 0 261.325 1.429 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+](C)C1 ZINC001326089567 954211926 /nfs/dbraw/zinc/21/19/26/954211926.db2.gz CGHMWODLSHEZIX-NSHDSACASA-N 1 0 264.329 1.474 20 5 CDBDRO [NH3+][C@@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001329281899 955796882 /nfs/dbraw/zinc/79/68/82/955796882.db2.gz JTGYGIVZYXYVDQ-AWEZNQCLSA-N 1 0 289.335 1.607 20 5 CDBDRO O=[N+]([O-])c1ccccc1Cc1noc([C@@H]2[NH2+]C[C@@H]3C[C@@H]32)n1 ZINC001329610637 956017026 /nfs/dbraw/zinc/01/70/26/956017026.db2.gz YAEYSZGKRYNHGV-OUJBWJOFSA-N 1 0 286.291 1.849 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]([N@H+](C)CC)C1 ZINC001307235621 956384354 /nfs/dbraw/zinc/38/43/54/956384354.db2.gz RCURALHIOFVFOJ-LLVKDONJSA-N 1 0 281.360 1.650 20 5 CDBDRO CO[C@H](C)CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC001308747869 956571601 /nfs/dbraw/zinc/57/16/01/956571601.db2.gz VORSHSGAJRJIFW-SNVBAGLBSA-N 1 0 253.302 1.395 20 5 CDBDRO C[C@@](O)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001335383131 959759766 /nfs/dbraw/zinc/75/97/66/959759766.db2.gz XRBVUGVNDRNGOW-ZIAGYGMSSA-N 1 0 280.324 1.379 20 5 CDBDRO O=[N+]([O-])CC[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001335627231 959940652 /nfs/dbraw/zinc/94/06/52/959940652.db2.gz IKCHIZZQPSPQHQ-UHFFFAOYSA-N 1 0 292.261 1.816 20 5 CDBDRO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]CC[N+](=O)[O-])C12CCC2 ZINC001336837860 960645569 /nfs/dbraw/zinc/64/55/69/960645569.db2.gz BODLZTLDAZWJNU-QWRGUYRKSA-N 1 0 299.371 1.689 20 5 CDBDRO C[C@@H]1CCN(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001338492341 961838263 /nfs/dbraw/zinc/83/82/63/961838263.db2.gz SSVMXFMNRFJLJW-IUODEOHRSA-N 1 0 293.367 1.560 20 5 CDBDRO CCC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001339065183 962148233 /nfs/dbraw/zinc/14/82/33/962148233.db2.gz FEBWWUZGQPIDMH-UHFFFAOYSA-N 1 0 292.339 1.695 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](CC[NH3+])C1 ZINC001341874640 963567834 /nfs/dbraw/zinc/56/78/34/963567834.db2.gz XWQOBVIKYYRWLC-JTQLQIEISA-N 1 0 293.323 1.414 20 5 CDBDRO CN(CCC[NH3+])C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001521844468 970364672 /nfs/dbraw/zinc/36/46/72/970364672.db2.gz WVRNMTDXEFRMFF-OLZOCXBDSA-N 1 0 277.324 1.506 20 5 CDBDRO C[NH+](C)C(C)(C)CNc1cc(N)c([N+](=O)[O-])cn1 ZINC001515315366 976425980 /nfs/dbraw/zinc/42/59/80/976425980.db2.gz RKNWPGDGSBMENI-UHFFFAOYSA-N 1 0 253.306 1.324 20 5 CDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2C[NH2+]C)n1 ZINC001578349803 1171879585 /nfs/dbraw/zinc/87/95/85/1171879585.db2.gz AOAWTRLTJIVTBL-JTQLQIEISA-N 1 0 295.343 1.025 20 5 CDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000070170101 361739490 /nfs/dbraw/zinc/73/94/90/361739490.db2.gz IMQISDGVDUEZCX-LBPRGKRZSA-N 1 0 291.351 1.725 20 5 CDBDRO COC[C@@H](C)OC[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000234857241 342047378 /nfs/dbraw/zinc/04/73/78/342047378.db2.gz SGEFOXGNHLWPDI-BXUZGUMPSA-N 1 0 298.339 1.097 20 5 CDBDRO C[C@H](O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000124952513 187162489 /nfs/dbraw/zinc/16/24/89/187162489.db2.gz HYWMZBQWKYEADP-JTQLQIEISA-N 1 0 290.323 1.466 20 5 CDBDRO CO[C@@H]1COC[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565219664 365605495 /nfs/dbraw/zinc/60/54/95/365605495.db2.gz XLZMBIDYTQWOTB-YRGRVCCFSA-N 1 0 278.308 1.586 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000600311583 342077253 /nfs/dbraw/zinc/07/72/53/342077253.db2.gz PSYXFCHUJYOVJX-LLVKDONJSA-N 1 0 294.355 1.395 20 5 CDBDRO O=[N+]([O-])c1ncccc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000608909486 342084477 /nfs/dbraw/zinc/08/44/77/342084477.db2.gz SHIGRNCDBZDSGB-LLVKDONJSA-N 1 0 262.313 1.664 20 5 CDBDRO O=[N+]([O-])c1ccc2oc(CN3CCC[C@H]3CO)nc2c1 ZINC000083170859 342090374 /nfs/dbraw/zinc/09/03/74/342090374.db2.gz ZZVYZFNKSCEPEU-JTQLQIEISA-N 1 0 277.280 1.693 20 5 CDBDRO COc1ccc(C[NH2+][C@@H](C)Cn2cncn2)cc1[N+](=O)[O-] ZINC000609287703 342100409 /nfs/dbraw/zinc/10/04/09/342100409.db2.gz UWCLCTYSMQZGLH-JTQLQIEISA-N 1 0 291.311 1.373 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1CN[C@H]1CCC[NH2+]C1)OCCO2 ZINC000591276798 342623995 /nfs/dbraw/zinc/62/39/95/342623995.db2.gz ADZKBGCBMJLADT-NSHDSACASA-N 1 0 293.323 1.208 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1C[NH2+]C1 ZINC000591304164 342624709 /nfs/dbraw/zinc/62/47/09/342624709.db2.gz QNUCCTFXKLFUHU-UHFFFAOYSA-N 1 0 280.284 1.087 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591447885 342632782 /nfs/dbraw/zinc/63/27/82/342632782.db2.gz CACASUXYTBTZSV-SMDDNHRTSA-N 1 0 291.351 1.787 20 5 CDBDRO O=[N+]([O-])c1ccc(CCN2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000591448638 342632980 /nfs/dbraw/zinc/63/29/80/342632980.db2.gz KUVFBTHDAIWWDJ-ZFWWWQNUSA-N 1 0 275.352 1.821 20 5 CDBDRO COc1cccc(C(=O)NC[C@@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC000591677699 342641548 /nfs/dbraw/zinc/64/15/48/342641548.db2.gz UHHHUICKEFNDKM-JTQLQIEISA-N 1 0 293.323 1.475 20 5 CDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCC[NH3+] ZINC000592473967 342698782 /nfs/dbraw/zinc/69/87/82/342698782.db2.gz XXVNIRYMFJBHEB-JTQLQIEISA-N 1 0 280.328 1.202 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CCC(C)(C)[NH3+] ZINC000592501816 342705974 /nfs/dbraw/zinc/70/59/74/342705974.db2.gz KEYYYJDVJJDREW-UHFFFAOYSA-N 1 0 295.339 1.737 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593499811 342808550 /nfs/dbraw/zinc/80/85/50/342808550.db2.gz CLQNQLYAWMTGDH-UHFFFAOYSA-N 1 0 283.303 1.296 20 5 CDBDRO CC[C@@H]([NH3+])C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000129997746 342205117 /nfs/dbraw/zinc/20/51/17/342205117.db2.gz DHFOYHAPGJRGCF-LLVKDONJSA-N 1 0 294.355 1.559 20 5 CDBDRO CC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000130209329 342209913 /nfs/dbraw/zinc/20/99/13/342209913.db2.gz HTKZAOVNRTXSSC-MWLCHTKSSA-N 1 0 265.313 1.818 20 5 CDBDRO CC(C)Oc1nc(N2C[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000593932020 342852935 /nfs/dbraw/zinc/85/29/35/342852935.db2.gz SRSJDPJKPSQCBM-PHIMTYICSA-N 1 0 292.339 1.433 20 5 CDBDRO C[NH+](C)CCc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000594649632 342931770 /nfs/dbraw/zinc/93/17/70/342931770.db2.gz DAADPFYGBAGZDL-UHFFFAOYSA-N 1 0 275.312 1.339 20 5 CDBDRO Cc1c(Cn2cc(CC[NH3+])nn2)cccc1[N+](=O)[O-] ZINC000158197612 342278102 /nfs/dbraw/zinc/27/81/02/342278102.db2.gz QRXNECKVDHLPLI-UHFFFAOYSA-N 1 0 261.285 1.044 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000125764985 187199147 /nfs/dbraw/zinc/19/91/47/187199147.db2.gz MGZHZKZQVLYLLE-SNVBAGLBSA-N 1 0 295.343 1.168 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](O)C2)c(Cl)c1 ZINC000595000625 342995338 /nfs/dbraw/zinc/99/53/38/342995338.db2.gz ISMWIIHUHBQQBJ-CZMCAQCFSA-N 1 0 256.689 1.861 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000595260510 343014428 /nfs/dbraw/zinc/01/44/28/343014428.db2.gz AASQIPMPJVWLFZ-GHMZBOCLSA-N 1 0 281.287 1.415 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000595275969 343021856 /nfs/dbraw/zinc/02/18/56/343021856.db2.gz SVUNORCQHAKJLH-NSHDSACASA-N 1 0 294.355 1.387 20 5 CDBDRO CCc1ccc(C(=O)N2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000126270471 187228614 /nfs/dbraw/zinc/22/86/14/187228614.db2.gz QOUFWYIZJNWECO-JTQLQIEISA-N 1 0 277.324 1.591 20 5 CDBDRO Cc1noc(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595480908 343065021 /nfs/dbraw/zinc/06/50/21/343065021.db2.gz ASODQDUDYLFMEY-PWSUYJOCSA-N 1 0 294.355 1.950 20 5 CDBDRO Cc1noc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000595519758 343075044 /nfs/dbraw/zinc/07/50/44/343075044.db2.gz CDQMSYLERDVRBZ-WCQYABFASA-N 1 0 295.339 1.778 20 5 CDBDRO CC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000595766608 343145622 /nfs/dbraw/zinc/14/56/22/343145622.db2.gz XCMXANINHCGQQL-LBPRGKRZSA-N 1 0 277.324 1.972 20 5 CDBDRO CC[N@H+](C)C[C@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000078583757 342338565 /nfs/dbraw/zinc/33/85/65/342338565.db2.gz KBRNUDREWJQWGN-LLVKDONJSA-N 1 0 264.329 1.768 20 5 CDBDRO CN(CCC[NH3+])Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000565774526 365719928 /nfs/dbraw/zinc/71/99/28/365719928.db2.gz DBGQVJUWGSBLQD-UHFFFAOYSA-N 1 0 289.282 1.977 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000595945888 343205433 /nfs/dbraw/zinc/20/54/33/343205433.db2.gz PZDFUZOCSSLVQW-UHFFFAOYSA-N 1 0 281.312 1.169 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000595983447 343211141 /nfs/dbraw/zinc/21/11/41/343211141.db2.gz OCLJROXPFIBZQO-SNVBAGLBSA-N 1 0 280.328 1.121 20 5 CDBDRO CNc1ccc(C(=O)N[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595992900 343213288 /nfs/dbraw/zinc/21/32/88/343213288.db2.gz UAQUZGOZCJSWKG-CYBMUJFWSA-N 1 0 278.312 1.118 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CC(C)(C)[NH3+] ZINC000595901780 343187132 /nfs/dbraw/zinc/18/71/32/343187132.db2.gz LAUOFIWRVMRPAH-UHFFFAOYSA-N 1 0 294.355 1.511 20 5 CDBDRO Cc1n[nH]c(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000265322858 362132318 /nfs/dbraw/zinc/13/23/18/362132318.db2.gz QXHGCVGPSAVOEV-JTQLQIEISA-N 1 0 295.343 1.040 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)CC(C)(C)[NH3+])c1 ZINC000595949183 343194206 /nfs/dbraw/zinc/19/42/06/343194206.db2.gz YPOJXNIFEMALJA-UHFFFAOYSA-N 1 0 281.312 1.413 20 5 CDBDRO C[NH+](C)C1(CNc2cc[nH]c(=O)c2[N+](=O)[O-])CCCC1 ZINC000596079171 343226976 /nfs/dbraw/zinc/22/69/76/343226976.db2.gz KCHUSWVLDRGYKH-UHFFFAOYSA-N 1 0 280.328 1.982 20 5 CDBDRO C[C@@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596099618 343236160 /nfs/dbraw/zinc/23/61/60/343236160.db2.gz UHRZCEMBBHADCT-VIFPVBQESA-N 1 0 280.328 1.446 20 5 CDBDRO O=c1[nH]ccc(N2CC[C@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000596135592 343239623 /nfs/dbraw/zinc/23/96/23/343239623.db2.gz XCOCSIRKAQYSJY-LLVKDONJSA-N 1 0 292.339 1.618 20 5 CDBDRO Cc1cnc(N2CC(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000596246833 343286196 /nfs/dbraw/zinc/28/61/96/343286196.db2.gz IANBIBPKANAARQ-UHFFFAOYSA-N 1 0 250.302 1.296 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[N@H+](C)C2(CCCCC2)C1 ZINC000596251796 343274781 /nfs/dbraw/zinc/27/47/81/343274781.db2.gz YIPALPOAILJGSS-UHFFFAOYSA-N 1 0 293.371 1.783 20 5 CDBDRO CC(C)CC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304322850 349829769 /nfs/dbraw/zinc/82/97/69/349829769.db2.gz MNPLIVPMEUBXIN-GFCCVEGCSA-N 1 0 270.333 1.130 20 5 CDBDRO C[C@H](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[NH+](C)C ZINC000597999950 343685606 /nfs/dbraw/zinc/68/56/06/343685606.db2.gz TZNVMFYZPHGWLL-MRVPVSSYSA-N 1 0 298.318 1.386 20 5 CDBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000598265394 343744592 /nfs/dbraw/zinc/74/45/92/343744592.db2.gz SOKBQOGCVLKHQZ-LLVKDONJSA-N 1 0 294.355 1.773 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598916003 343920058 /nfs/dbraw/zinc/92/00/58/343920058.db2.gz SNBXQJHBSSHFBA-SECBINFHSA-N 1 0 296.302 1.950 20 5 CDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ncc([N+](=O)[O-])s1 ZINC000249104793 362255116 /nfs/dbraw/zinc/25/51/16/362255116.db2.gz WYGVPARGQQQKDT-DTWKUNHWSA-N 1 0 270.358 1.828 20 5 CDBDRO CCC(CC)[NH2+]CCNc1c([N+](=O)[O-])ncn1C ZINC000599098440 343954245 /nfs/dbraw/zinc/95/42/45/343954245.db2.gz UTPCXZXEQRAHPC-UHFFFAOYSA-N 1 0 255.322 1.518 20 5 CDBDRO C[C@H]1CC(F)(F)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000599624125 344097938 /nfs/dbraw/zinc/09/79/38/344097938.db2.gz RHDVQRMWKBPUQS-VIFPVBQESA-N 1 0 274.271 1.911 20 5 CDBDRO CCN(CC[NH3+])C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000599920151 344152833 /nfs/dbraw/zinc/15/28/33/344152833.db2.gz HKAOOOXBNLLKGQ-UHFFFAOYSA-N 1 0 280.328 1.128 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602431144 344423903 /nfs/dbraw/zinc/42/39/03/344423903.db2.gz CFFGPVBWIBCTDC-SECBINFHSA-N 1 0 283.303 1.981 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000602597636 344503720 /nfs/dbraw/zinc/50/37/20/344503720.db2.gz WKGWHXVHCGLKRS-POYBYMJQSA-N 1 0 255.299 1.218 20 5 CDBDRO O=C1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CCCN1 ZINC000602579891 344475376 /nfs/dbraw/zinc/47/53/76/344475376.db2.gz JKTSIJFIPRSXHU-LBPRGKRZSA-N 1 0 277.324 1.396 20 5 CDBDRO C[C@]1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCC(=O)N1 ZINC000602686719 344531284 /nfs/dbraw/zinc/53/12/84/344531284.db2.gz GXCCGKGYVMBUGU-CQSZACIVSA-N 1 0 277.324 1.396 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000602805301 344593539 /nfs/dbraw/zinc/59/35/39/344593539.db2.gz OJBUMWJYAQGKJG-ZIAGYGMSSA-N 1 0 294.355 1.647 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([C@@H](C)CO)CC1 ZINC000602862671 344617968 /nfs/dbraw/zinc/61/79/68/344617968.db2.gz DVXOAIQJNYIMQM-NSHDSACASA-N 1 0 296.371 1.440 20 5 CDBDRO Cc1c(Cn2cc(CC[NH+](C)C)nn2)cccc1[N+](=O)[O-] ZINC000603198777 344731348 /nfs/dbraw/zinc/73/13/48/344731348.db2.gz PWLAUSPMDVWUGU-UHFFFAOYSA-N 1 0 289.339 1.647 20 5 CDBDRO C[C@@H](O)C1CN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000603411655 344805759 /nfs/dbraw/zinc/80/57/59/344805759.db2.gz YCPLSEOSPFIRLT-SECBINFHSA-N 1 0 273.292 1.960 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000127262803 187293062 /nfs/dbraw/zinc/29/30/62/187293062.db2.gz NJPFBFDMHBJQQM-JTQLQIEISA-N 1 0 293.327 1.405 20 5 CDBDRO Cc1cc(C(=O)N[C@](C)(C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000127288824 187294710 /nfs/dbraw/zinc/29/47/10/187294710.db2.gz MLQTZPAKLHZJKD-CQSZACIVSA-N 1 0 277.324 1.760 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000129215788 345277359 /nfs/dbraw/zinc/27/73/59/345277359.db2.gz LQECAKDTEFZQCZ-JQWIXIFHSA-N 1 0 277.324 1.476 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000129260898 345279018 /nfs/dbraw/zinc/27/90/18/345279018.db2.gz NDEGIWSWQGSVIV-CMPLNLGQSA-N 1 0 277.324 1.855 20 5 CDBDRO O=C(NCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])o1 ZINC000072781847 345368732 /nfs/dbraw/zinc/36/87/32/345368732.db2.gz FXXHVFPIAFJCFH-UHFFFAOYSA-N 1 0 281.312 1.794 20 5 CDBDRO C[C@]1(NC(=O)c2ccc([N+](=O)[O-])cc2F)CC[NH2+]C1 ZINC000230732212 345440676 /nfs/dbraw/zinc/44/06/76/345440676.db2.gz JXIWEFUSVTWHFY-LBPRGKRZSA-N 1 0 267.260 1.216 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089107267 346124019 /nfs/dbraw/zinc/12/40/19/346124019.db2.gz PNPHVYUEYOCCHO-GXSJLCMTSA-N 1 0 280.328 1.181 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](n3ccnc3)C2)n1 ZINC000610485186 346291880 /nfs/dbraw/zinc/29/18/80/346291880.db2.gz VMTRENYFXGRAAB-GFCCVEGCSA-N 1 0 290.327 1.325 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](C)C1 ZINC000610655812 346337269 /nfs/dbraw/zinc/33/72/69/346337269.db2.gz AUBLTHLHQPVMBG-SNVBAGLBSA-N 1 0 252.318 1.832 20 5 CDBDRO C[NH+](C)CCO[C@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000610764472 346399463 /nfs/dbraw/zinc/39/94/63/346399463.db2.gz VMQCNJYNQBZRCP-NSHDSACASA-N 1 0 280.328 1.147 20 5 CDBDRO CC(C)[C@@H]1C[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000584775915 346429908 /nfs/dbraw/zinc/42/99/08/346429908.db2.gz XACAPNSSITYAJM-AEGPPILISA-N 1 0 294.351 1.969 20 5 CDBDRO CC1CC[NH+](C[C@H](O)CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000344409831 362753764 /nfs/dbraw/zinc/75/37/64/362753764.db2.gz ARSQNIVHNKNCNP-CYBMUJFWSA-N 1 0 294.355 1.495 20 5 CDBDRO CC1(NC(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000229621569 346553600 /nfs/dbraw/zinc/55/36/00/346553600.db2.gz OHFUEWYKFJISQA-UHFFFAOYSA-N 1 0 263.297 1.467 20 5 CDBDRO CC(C)(C)C[N@H+](CCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000611185122 346634015 /nfs/dbraw/zinc/63/40/15/346634015.db2.gz FYWOEUCUBKNNLW-UHFFFAOYSA-N 1 0 297.355 1.097 20 5 CDBDRO COc1ccc(C[N@H+](C)CC(C)(CO)CO)cc1[N+](=O)[O-] ZINC000158974737 365848595 /nfs/dbraw/zinc/84/85/95/365848595.db2.gz PZQSEJGQXIFHPO-UHFFFAOYSA-N 1 0 298.339 1.026 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC(CCC[NH+](C)C)CC1 ZINC000611228005 346699858 /nfs/dbraw/zinc/69/98/58/346699858.db2.gz DBTJPNBLFPRPMV-UHFFFAOYSA-N 1 0 295.387 1.887 20 5 CDBDRO CC[N@H+](CCC1CC1)CCn1ccc([N+](=O)[O-])n1 ZINC000355045821 365860468 /nfs/dbraw/zinc/86/04/68/365860468.db2.gz YTADSUVTTCEDBN-UHFFFAOYSA-N 1 0 252.318 1.913 20 5 CDBDRO CC(=O)N1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000152928941 347634203 /nfs/dbraw/zinc/63/42/03/347634203.db2.gz QBDQJJCRMRXXSS-GFCCVEGCSA-N 1 0 263.297 1.305 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[C@@H]1[NH3+] ZINC000122569459 347659128 /nfs/dbraw/zinc/65/91/28/347659128.db2.gz WPMAAMUETZIQJS-BDAKNGLRSA-N 1 0 266.301 1.122 20 5 CDBDRO CC(=O)N1CCCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000053456989 347740709 /nfs/dbraw/zinc/74/07/09/347740709.db2.gz LEHFKVVKAAMACK-UHFFFAOYSA-N 1 0 277.324 1.649 20 5 CDBDRO CC1(C)CCC[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000094324251 365935046 /nfs/dbraw/zinc/93/50/46/365935046.db2.gz CBGWFDZGFUHRAE-NWDGAFQWSA-N 1 0 282.344 1.321 20 5 CDBDRO Cc1ccc(C(=O)N(C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000295149221 199373491 /nfs/dbraw/zinc/37/34/91/199373491.db2.gz CNKFJLJHSIIIJS-UHFFFAOYSA-N 1 0 263.297 1.465 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087160457 179398069 /nfs/dbraw/zinc/39/80/69/179398069.db2.gz GNTGTEZYENJDQF-CYBMUJFWSA-N 1 0 291.351 1.595 20 5 CDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C[NH+](C)C ZINC000293674305 362909689 /nfs/dbraw/zinc/90/96/89/362909689.db2.gz GQNZKFLLPMTRDW-QMMMGPOBSA-N 1 0 298.318 1.244 20 5 CDBDRO C[C@]1(CNC(=O)c2cccc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000128905198 187398253 /nfs/dbraw/zinc/39/82/53/187398253.db2.gz NWOQMOJITQBKDG-AWEZNQCLSA-N 1 0 277.324 1.714 20 5 CDBDRO C[NH2+]CC1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000088147720 179556868 /nfs/dbraw/zinc/55/68/68/179556868.db2.gz LPELXQHCXHJHFM-UHFFFAOYSA-N 1 0 291.351 1.975 20 5 CDBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000025149368 348620302 /nfs/dbraw/zinc/62/03/02/348620302.db2.gz YJBXZNIMGYRAAL-JTQLQIEISA-N 1 0 265.313 1.204 20 5 CDBDRO COc1cc(CN(C)C2CC([NH3+])C2)c([N+](=O)[O-])cc1F ZINC001579150353 1172107348 /nfs/dbraw/zinc/10/73/48/1172107348.db2.gz HQDGYNKPYAAONV-UHFFFAOYSA-N 1 0 283.303 1.664 20 5 CDBDRO Cc1cc(C(=O)NCC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000067701810 349033559 /nfs/dbraw/zinc/03/35/59/349033559.db2.gz WQQDGKJDODBQQY-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000111303572 349224041 /nfs/dbraw/zinc/22/40/41/349224041.db2.gz BUYDBHYUJHFYFC-QMMMGPOBSA-N 1 0 297.311 1.079 20 5 CDBDRO [NH3+][C@H]1CC[C@H](C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000091543829 180184928 /nfs/dbraw/zinc/18/49/28/180184928.db2.gz LLFHCYZOAYOZKP-ONGXEEELSA-N 1 0 263.297 1.338 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)C(C)C ZINC000092400559 180377245 /nfs/dbraw/zinc/37/72/45/180377245.db2.gz SNGVRXUVWKWIAE-GFCCVEGCSA-N 1 0 268.313 1.710 20 5 CDBDRO C[C@H]([NH3+])C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000110647311 186310097 /nfs/dbraw/zinc/31/00/97/186310097.db2.gz AOZRPFHKTWSQHH-NSHDSACASA-N 1 0 291.351 1.723 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1COCC[NH2+]1 ZINC000236056960 362972297 /nfs/dbraw/zinc/97/22/97/362972297.db2.gz LOEXIEPDFSMNML-MRVPVSSYSA-N 1 0 272.692 1.044 20 5 CDBDRO Cc1cccc(C(=O)NCC[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000110795095 186325026 /nfs/dbraw/zinc/32/50/26/186325026.db2.gz WZTNSCBNSFTWRD-NSHDSACASA-N 1 0 277.324 1.633 20 5 CDBDRO CC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000111049898 186348641 /nfs/dbraw/zinc/34/86/41/186348641.db2.gz GSRIFBJHEGJXHP-UHFFFAOYSA-N 1 0 253.302 1.967 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000156506346 351507726 /nfs/dbraw/zinc/50/77/26/351507726.db2.gz AVLBKWYEVYNHND-TVQRCGJNSA-N 1 0 299.758 1.796 20 5 CDBDRO C[NH2+][C@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000123154341 187074259 /nfs/dbraw/zinc/07/42/59/187074259.db2.gz ZMNFQSUVXFBWLT-NSHDSACASA-N 1 0 253.277 1.528 20 5 CDBDRO CC(C)[C@@H](CO)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000092395199 535202411 /nfs/dbraw/zinc/20/24/11/535202411.db2.gz YSDUCICIKVAKOG-CYBMUJFWSA-N 1 0 268.313 1.580 20 5 CDBDRO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000036932633 363293323 /nfs/dbraw/zinc/29/33/23/363293323.db2.gz MGZMLKUGHUUQJC-OLZOCXBDSA-N 1 0 293.367 1.966 20 5 CDBDRO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000036933006 363293677 /nfs/dbraw/zinc/29/36/77/363293677.db2.gz IJEFIICDPMQJNU-OLZOCXBDSA-N 1 0 293.367 1.966 20 5 CDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000225348097 363288711 /nfs/dbraw/zinc/28/87/11/363288711.db2.gz CEBZKFZSHBWEFT-NSHDSACASA-N 1 0 282.319 1.392 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000295288573 199440721 /nfs/dbraw/zinc/44/07/21/199440721.db2.gz UDCFZMYQVYWTPP-NSHDSACASA-N 1 0 265.313 1.381 20 5 CDBDRO C[C@@H]1OCC[C@@]12CN(Cc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000280291711 363400376 /nfs/dbraw/zinc/40/03/76/363400376.db2.gz FFQOTLMDIJZVBX-SWLSCSKDSA-N 1 0 292.335 1.975 20 5 CDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273505903 192179811 /nfs/dbraw/zinc/17/98/11/192179811.db2.gz WADSGEYDZNOPKE-JTQLQIEISA-N 1 0 296.302 1.950 20 5 CDBDRO Cc1c(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000411998522 363402408 /nfs/dbraw/zinc/40/24/08/363402408.db2.gz WGPWZOQRPKFKPK-KGLIPLIRSA-N 1 0 294.351 1.780 20 5 CDBDRO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000411927075 363380866 /nfs/dbraw/zinc/38/08/66/363380866.db2.gz XMPOZXDARGPNHX-STQMWFEESA-N 1 0 266.297 1.176 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000272231153 191595769 /nfs/dbraw/zinc/59/57/69/191595769.db2.gz JUQLIQVDWCYXIH-GHMZBOCLSA-N 1 0 292.339 1.202 20 5 CDBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1CC[NH2+]CC1 ZINC001579485898 1172196842 /nfs/dbraw/zinc/19/68/42/1172196842.db2.gz XAOBKQAXJUEKLU-VIFPVBQESA-N 1 0 292.339 1.494 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)C2CC2)c(F)c1 ZINC000336790325 356262893 /nfs/dbraw/zinc/26/28/93/356262893.db2.gz LCHPGCUVRHSHNX-GFCCVEGCSA-N 1 0 254.261 1.594 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c(F)c1 ZINC000336808361 356272879 /nfs/dbraw/zinc/27/28/79/356272879.db2.gz BROFZHQCBWSCOH-BXKDBHETSA-N 1 0 268.288 1.985 20 5 CDBDRO CCOc1cc(NC[C@@H]2COCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000233796588 356394630 /nfs/dbraw/zinc/39/46/30/356394630.db2.gz DSBIRRBUOYFIQI-LLVKDONJSA-N 1 0 281.312 1.394 20 5 CDBDRO C[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000295849773 199690993 /nfs/dbraw/zinc/69/09/93/199690993.db2.gz AXLLZQHASBAPNM-UMNHJUIQSA-N 1 0 279.340 1.989 20 5 CDBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC1CC1 ZINC000134844090 356425918 /nfs/dbraw/zinc/42/59/18/356425918.db2.gz NDQUJOGVXKKVEQ-NXEZZACHSA-N 1 0 277.324 1.913 20 5 CDBDRO O=[N+]([O-])c1cc(F)c(NC[C@@H]2C[NH2+]CCO2)c(F)c1 ZINC000236205913 140239103 /nfs/dbraw/zinc/23/91/03/140239103.db2.gz VYIYZQLBHXZNCD-QMMMGPOBSA-N 1 0 273.239 1.273 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000159042041 357211649 /nfs/dbraw/zinc/21/16/49/357211649.db2.gz NUMRDCNJWLLXNR-OAHLLOKOSA-N 1 0 289.335 1.729 20 5 CDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000058926733 357416878 /nfs/dbraw/zinc/41/68/78/357416878.db2.gz BBJPJWJOGKMLFY-LBPRGKRZSA-N 1 0 291.351 1.595 20 5 CDBDRO C[C@]1(C[NH3+])CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000262161995 357433189 /nfs/dbraw/zinc/43/31/89/357433189.db2.gz YAUYRGORABJRBZ-CQSZACIVSA-N 1 0 292.339 1.204 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062856983 357499350 /nfs/dbraw/zinc/49/93/50/357499350.db2.gz PNXQCQOSZPAWOC-OAHLLOKOSA-N 1 0 291.351 1.943 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187067545 357723481 /nfs/dbraw/zinc/72/34/81/357723481.db2.gz JKUSFZJWXYNLOL-SECBINFHSA-N 1 0 296.327 1.156 20 5 CDBDRO CCCN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000135226492 357798522 /nfs/dbraw/zinc/79/85/22/357798522.db2.gz BSQGBSUSDPWOOL-AWEZNQCLSA-N 1 0 291.351 1.738 20 5 CDBDRO Cc1cc(C(=O)N(C)CC(C)(C)C[NH3+])cc([N+](=O)[O-])c1 ZINC000135243643 357814714 /nfs/dbraw/zinc/81/47/14/357814714.db2.gz UQOBVFGCVXKDKH-UHFFFAOYSA-N 1 0 279.340 1.960 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000610708856 357827340 /nfs/dbraw/zinc/82/73/40/357827340.db2.gz WPMKECKTHMVHAH-PRHODGIISA-N 1 0 278.312 1.135 20 5 CDBDRO C[C@@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000062893866 357980016 /nfs/dbraw/zinc/98/00/16/357980016.db2.gz FXIPSMDBISWORR-CYBMUJFWSA-N 1 0 263.297 1.211 20 5 CDBDRO CC[C@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000062893867 357980056 /nfs/dbraw/zinc/98/00/56/357980056.db2.gz LUEFZFQZMMCYPJ-AWEZNQCLSA-N 1 0 277.324 1.601 20 5 CDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000127432061 358235185 /nfs/dbraw/zinc/23/51/85/358235185.db2.gz CUXAZCQKXOHYJX-CQSZACIVSA-N 1 0 279.340 1.627 20 5 CDBDRO CC1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC[NH2+]CC1 ZINC000129108900 358276661 /nfs/dbraw/zinc/27/66/61/358276661.db2.gz NNKMWIXQCOJBLU-UHFFFAOYSA-N 1 0 266.301 1.042 20 5 CDBDRO CN(CC1CC[NH+](C)CC1)c1cc(N)ccc1[N+](=O)[O-] ZINC000193409166 358293064 /nfs/dbraw/zinc/29/30/64/358293064.db2.gz AXACXGAMSXPWBP-UHFFFAOYSA-N 1 0 278.356 1.955 20 5 CDBDRO COc1cc(C(=O)N[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000287254484 358353985 /nfs/dbraw/zinc/35/39/85/358353985.db2.gz REEQAPYYXAEJGQ-VIFPVBQESA-N 1 0 281.312 1.283 20 5 CDBDRO CC(C)C[C@@H]1C[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000395373628 358392788 /nfs/dbraw/zinc/39/27/88/358392788.db2.gz OWRJQWWZDPQZEB-KGYLQXTDSA-N 1 0 282.344 1.176 20 5 CDBDRO CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000264760588 358398433 /nfs/dbraw/zinc/39/84/33/358398433.db2.gz MQYVYOWPLRUYRG-UHFFFAOYSA-N 1 0 295.314 1.902 20 5 CDBDRO C[C@H](CCCO)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567875864 358742412 /nfs/dbraw/zinc/74/24/12/358742412.db2.gz MLWKFUZEHDJSLS-DGCLKSJQSA-N 1 0 298.339 1.085 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000186717079 358817198 /nfs/dbraw/zinc/81/71/98/358817198.db2.gz RHSATQPWBBIGRA-KWQFWETISA-N 1 0 297.742 1.976 20 5 CDBDRO CO[C@H]1C[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000451851864 359086429 /nfs/dbraw/zinc/08/64/29/359086429.db2.gz NDQCDUJTMGALSM-NEPJUHHUSA-N 1 0 294.355 1.681 20 5 CDBDRO Cc1sc(C(=O)NCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000342580212 359119623 /nfs/dbraw/zinc/11/96/23/359119623.db2.gz DJRWQORUZHINAV-UHFFFAOYSA-N 1 0 269.326 1.576 20 5 CDBDRO C[C@@H](NC(=O)[C@H](C)[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000296523671 199919556 /nfs/dbraw/zinc/91/95/56/199919556.db2.gz SFIVDCZBGKWGLY-ZJUUUORDSA-N 1 0 277.324 1.913 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000570079357 359288107 /nfs/dbraw/zinc/28/81/07/359288107.db2.gz HJQDUJIZINCAIS-VHSXEESVSA-N 1 0 280.328 1.181 20 5 CDBDRO CCC[NH2+]CCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000570042013 359274081 /nfs/dbraw/zinc/27/40/81/359274081.db2.gz PCPQATUIFNQVMW-UHFFFAOYSA-N 1 0 295.339 1.262 20 5 CDBDRO Cc1nc(NCC2CC[NH+](C3CC3)CC2)ncc1[N+](=O)[O-] ZINC000296884487 200024953 /nfs/dbraw/zinc/02/49/53/200024953.db2.gz XINJFWPIVAYYBK-UHFFFAOYSA-N 1 0 291.355 1.980 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000487309911 359947296 /nfs/dbraw/zinc/94/72/96/359947296.db2.gz PHFUNDKCPXMMNQ-ZWNOBZJWSA-N 1 0 291.351 1.717 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000054263918 360065396 /nfs/dbraw/zinc/06/53/96/360065396.db2.gz VDEVAEQQPYAMLF-UHFFFAOYSA-N 1 0 265.313 1.633 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(C)(CO)CO ZINC000270298349 360123425 /nfs/dbraw/zinc/12/34/25/360123425.db2.gz AXLMYNLWYXSNPQ-LLVKDONJSA-N 1 0 282.340 1.579 20 5 CDBDRO COc1cc(C(=O)NC(C)(C)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000063020098 360224858 /nfs/dbraw/zinc/22/48/58/360224858.db2.gz QPZUEWQORSNAFP-UHFFFAOYSA-N 1 0 297.311 1.079 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000514783990 360225751 /nfs/dbraw/zinc/22/57/51/360225751.db2.gz ZUJKIYGJHOTNBE-WDEREUQCSA-N 1 0 292.339 1.487 20 5 CDBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)C[C@H](C)[NH2+]1 ZINC000235659145 360234721 /nfs/dbraw/zinc/23/47/21/360234721.db2.gz ZARCHGTVCVVAKJ-OCAPTIKFSA-N 1 0 270.720 1.830 20 5 CDBDRO Cc1cnn([C@@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000289709509 360336822 /nfs/dbraw/zinc/33/68/22/360336822.db2.gz CFKGISHMQMGDLX-GFCCVEGCSA-N 1 0 290.327 1.243 20 5 CDBDRO COC[C@]1(CO)CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000451924611 360313649 /nfs/dbraw/zinc/31/36/49/360313649.db2.gz JGZCNHRYRRDVJD-OAHLLOKOSA-N 1 0 294.351 1.734 20 5 CDBDRO O=C(NCCC[NH+]1CCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000177274568 189041173 /nfs/dbraw/zinc/04/11/73/189041173.db2.gz JLSVMGBUYPXTAC-UHFFFAOYSA-N 1 0 295.314 1.950 20 5 CDBDRO Cc1nc(N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000572352696 360416335 /nfs/dbraw/zinc/41/63/35/360416335.db2.gz WITNJYRRUNPDFO-JQWIXIFHSA-N 1 0 291.355 1.756 20 5 CDBDRO C[C@]1(O)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000177978919 189083272 /nfs/dbraw/zinc/08/32/72/189083272.db2.gz IMGOOXBZVYCFAY-ZDUSSCGKSA-N 1 0 266.297 1.430 20 5 CDBDRO CC(C)Oc1nc(N2CC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000516082752 360560314 /nfs/dbraw/zinc/56/03/14/360560314.db2.gz CJPPSGNYMUNZJY-SECBINFHSA-N 1 0 266.301 1.314 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000133331490 283567227 /nfs/dbraw/zinc/56/72/27/283567227.db2.gz UMIXIGJWDFEOEE-JTQLQIEISA-N 1 0 250.302 1.486 20 5 CDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CCC[NH2+]C1 ZINC000178390479 189112600 /nfs/dbraw/zinc/11/26/00/189112600.db2.gz QRSYYTXETRSURA-NSHDSACASA-N 1 0 292.339 1.265 20 5 CDBDRO COC[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)OC ZINC000227705882 360697969 /nfs/dbraw/zinc/69/79/69/360697969.db2.gz YODCLDHTVALPMO-VIFPVBQESA-N 1 0 260.315 1.407 20 5 CDBDRO Cc1c(CC(=O)NCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000178558052 238372448 /nfs/dbraw/zinc/37/24/48/238372448.db2.gz HFUKOMMWVYWMCS-UHFFFAOYSA-N 1 0 291.351 1.658 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000053202757 361205607 /nfs/dbraw/zinc/20/56/07/361205607.db2.gz SKXDYPOINDMARW-LLVKDONJSA-N 1 0 278.312 1.811 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000053202378 361203659 /nfs/dbraw/zinc/20/36/59/361203659.db2.gz OUPJXGQMXCGXPG-XEHSLEBBSA-N 1 0 289.335 1.818 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000414186486 361252250 /nfs/dbraw/zinc/25/22/50/361252250.db2.gz PIVVEKFEYKDDNF-SCDSUCTJSA-N 1 0 280.324 1.968 20 5 CDBDRO CSc1ccc(C(=O)NC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000137422848 361363068 /nfs/dbraw/zinc/36/30/68/361363068.db2.gz IPIIKGWYFVCPPA-JTQLQIEISA-N 1 0 295.364 1.784 20 5 CDBDRO C[C@H]1C[C@@H](O)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000340905673 363782964 /nfs/dbraw/zinc/78/29/64/363782964.db2.gz OKFQJADMWGNXMO-CMPLNLGQSA-N 1 0 266.297 1.429 20 5 CDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000581462913 363992810 /nfs/dbraw/zinc/99/28/10/363992810.db2.gz XAWOPWRBSCTBQK-NSHDSACASA-N 1 0 294.355 1.347 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000088147707 364255277 /nfs/dbraw/zinc/25/52/77/364255277.db2.gz LYKANSLHJNBWAX-JTQLQIEISA-N 1 0 263.297 1.385 20 5 CDBDRO C[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000455430203 252392917 /nfs/dbraw/zinc/39/29/17/252392917.db2.gz KDZXHXGGYFRJCS-NSHDSACASA-N 1 0 294.355 1.686 20 5 CDBDRO COc1ccccc1C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174808588 364570782 /nfs/dbraw/zinc/57/07/82/364570782.db2.gz GUPZTKBHNPBEHN-UHFFFAOYSA-N 1 0 290.323 1.932 20 5 CDBDRO C[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000121384002 364755606 /nfs/dbraw/zinc/75/56/06/364755606.db2.gz AEVHZGOFDFJLMG-UHFFFAOYSA-N 1 0 257.315 1.304 20 5 CDBDRO Cc1c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000093650141 364886186 /nfs/dbraw/zinc/88/61/86/364886186.db2.gz XRMDCRYKFQHGFA-UHFFFAOYSA-N 1 0 274.324 1.969 20 5 CDBDRO C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])[C@@H](C(N)=O)C1 ZINC000249578452 364903912 /nfs/dbraw/zinc/90/39/12/364903912.db2.gz QCDJOIFDWGRJAV-ZWNOBZJWSA-N 1 0 277.324 1.681 20 5 CDBDRO O=C(C1CC[NH2+]CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000152018646 365207970 /nfs/dbraw/zinc/20/79/70/365207970.db2.gz FPAIZQHOQAVRSE-UHFFFAOYSA-N 1 0 275.308 1.484 20 5 CDBDRO CC(C)C[NH+]1CCC(NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548419931 366904075 /nfs/dbraw/zinc/90/40/75/366904075.db2.gz ZRTGKWTTYNAMBE-UHFFFAOYSA-N 1 0 295.343 1.168 20 5 CDBDRO CC[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000270903536 366942827 /nfs/dbraw/zinc/94/28/27/366942827.db2.gz MWOJFFRVXBAKEO-SMDDNHRTSA-N 1 0 280.324 1.676 20 5 CDBDRO CC[N@H+](CCCO)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270714697 366925736 /nfs/dbraw/zinc/92/57/36/366925736.db2.gz JDWDDBVXRVARTH-NSHDSACASA-N 1 0 295.339 1.626 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CC[NH3+] ZINC000414655771 241304195 /nfs/dbraw/zinc/30/41/95/241304195.db2.gz LZYSHZCOWFWKDT-MRVPVSSYSA-N 1 0 282.300 1.462 20 5 CDBDRO Cc1ccc(NC(=O)NC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414663487 241310735 /nfs/dbraw/zinc/31/07/35/241310735.db2.gz SFHVIOMLYBZZDX-UHFFFAOYSA-N 1 0 278.312 1.777 20 5 CDBDRO O=c1nc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)[nH][nH]1 ZINC000271630504 367024224 /nfs/dbraw/zinc/02/42/24/367024224.db2.gz GRPQTODDLBSORE-UHFFFAOYSA-N 1 0 289.295 1.171 20 5 CDBDRO COc1ccc(NC(=O)N[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000415442580 241684225 /nfs/dbraw/zinc/68/42/25/241684225.db2.gz QFCIZWDJTHFKDA-SNVBAGLBSA-N 1 0 294.311 1.462 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417128314 242329969 /nfs/dbraw/zinc/32/99/69/242329969.db2.gz IBFCPKSETFNOCB-NXEZZACHSA-N 1 0 280.328 1.550 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCC(N)=O ZINC000348832652 368069841 /nfs/dbraw/zinc/06/98/41/368069841.db2.gz KEQTYWATWHWZFD-FLIBITNWSA-N 1 0 277.324 1.805 20 5 CDBDRO C[C@@H](CN1CCOCC1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037562760 369080325 /nfs/dbraw/zinc/08/03/25/369080325.db2.gz PLBIYLLQXPQPOZ-JTQLQIEISA-N 1 0 285.369 1.467 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C1CC([NH3+])C1 ZINC000420331912 244095933 /nfs/dbraw/zinc/09/59/33/244095933.db2.gz MWOONSSDXGFJBR-UHFFFAOYSA-N 1 0 292.339 1.263 20 5 CDBDRO C[NH2+]CCCN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420390827 244192451 /nfs/dbraw/zinc/19/24/51/244192451.db2.gz RAPFSKIWSDJTBX-NSHDSACASA-N 1 0 294.355 1.463 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000139753470 370977413 /nfs/dbraw/zinc/97/74/13/370977413.db2.gz DMMUKHQTESOLCB-CYBMUJFWSA-N 1 0 292.339 1.488 20 5 CDBDRO COc1ccc(CN[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414874822 370963945 /nfs/dbraw/zinc/96/39/45/370963945.db2.gz ZLKSCSWHJZYXOQ-LLVKDONJSA-N 1 0 265.313 1.445 20 5 CDBDRO CCN(CCC[NH+](CC)CC)c1ncc([N+](=O)[O-])cn1 ZINC000276193760 193239102 /nfs/dbraw/zinc/23/91/02/193239102.db2.gz HLHFZCVYAJDZFQ-UHFFFAOYSA-N 1 0 281.360 1.943 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000330907248 203378705 /nfs/dbraw/zinc/37/87/05/203378705.db2.gz NRQKSBWSTPSNNV-RKDXNWHRSA-N 1 0 283.353 1.869 20 5 CDBDRO COC(=O)c1cnc(NC[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000276598615 193395703 /nfs/dbraw/zinc/39/57/03/193395703.db2.gz ATMVCFPLWYNWAU-VIFPVBQESA-N 1 0 294.311 1.140 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000037669802 369881700 /nfs/dbraw/zinc/88/17/00/369881700.db2.gz AHVYCGNKMSHIIJ-VIFPVBQESA-N 1 0 281.287 1.415 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000129901736 370127882 /nfs/dbraw/zinc/12/78/82/370127882.db2.gz ZYPKLRFGCFPGTK-QWRGUYRKSA-N 1 0 277.324 1.726 20 5 CDBDRO CC[C@@H](CO)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000295591202 370505061 /nfs/dbraw/zinc/50/50/61/370505061.db2.gz BMGWYDAADBANCD-NSHDSACASA-N 1 0 295.339 1.260 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422711533 245167787 /nfs/dbraw/zinc/16/77/87/245167787.db2.gz HBNKWFUSOSJVDK-ZWNOBZJWSA-N 1 0 279.340 1.691 20 5 CDBDRO Cc1c(CC(=O)N(C)C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000422736182 245194980 /nfs/dbraw/zinc/19/49/80/245194980.db2.gz FRYNCNSBHJYCLU-UHFFFAOYSA-N 1 0 291.351 1.656 20 5 CDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C1 ZINC000414892212 371032813 /nfs/dbraw/zinc/03/28/13/371032813.db2.gz XMXCKKZRZWBVRG-YPMHNXCESA-N 1 0 263.341 1.867 20 5 CDBDRO O=C(NCC[NH2+]C1CCCCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000422854669 245336851 /nfs/dbraw/zinc/33/68/51/245336851.db2.gz BDQPBIPJMGKYFI-UHFFFAOYSA-N 1 0 295.343 1.360 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000298697724 371487299 /nfs/dbraw/zinc/48/72/99/371487299.db2.gz OEGNILWVFNQOSB-NXEZZACHSA-N 1 0 265.313 1.770 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC12CC[NH2+]CC2 ZINC000368212677 371905283 /nfs/dbraw/zinc/90/52/83/371905283.db2.gz ISAXFFGZZPHLTL-CYBMUJFWSA-N 1 0 289.335 1.396 20 5 CDBDRO C[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)C1=CC[N@H+](C)CC1 ZINC000272900846 372328430 /nfs/dbraw/zinc/32/84/30/372328430.db2.gz ISEULIHUKDVDJG-MRVPVSSYSA-N 1 0 278.316 1.029 20 5 CDBDRO C[C@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000293798801 372842666 /nfs/dbraw/zinc/84/26/66/372842666.db2.gz PCERJPMHMCIOQP-UVMWJGKXSA-N 1 0 291.351 1.922 20 5 CDBDRO CC[N@H+](CCCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269667585 373505299 /nfs/dbraw/zinc/50/52/99/373505299.db2.gz SYHQPRZHTIWVTP-CYBMUJFWSA-N 1 0 268.313 1.333 20 5 CDBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000298441197 373601185 /nfs/dbraw/zinc/60/11/85/373601185.db2.gz HJNPDAOJYPOYNX-SECBINFHSA-N 1 0 279.296 1.402 20 5 CDBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000298504272 373740133 /nfs/dbraw/zinc/74/01/33/373740133.db2.gz ZPSVIMPUKJPRQN-SECBINFHSA-N 1 0 295.364 1.870 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000298697727 373796503 /nfs/dbraw/zinc/79/65/03/373796503.db2.gz OEGNILWVFNQOSB-UWVGGRQHSA-N 1 0 265.313 1.770 20 5 CDBDRO CC[NH+]1CCC(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000018057058 373972210 /nfs/dbraw/zinc/97/22/10/373972210.db2.gz APFJZNBGNVAHOO-UHFFFAOYSA-N 1 0 292.339 1.590 20 5 CDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000543712585 374205244 /nfs/dbraw/zinc/20/52/44/374205244.db2.gz HEWUUHXKDHQNJK-JTQLQIEISA-N 1 0 292.339 1.249 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417770889 374253358 /nfs/dbraw/zinc/25/33/58/374253358.db2.gz UOKIKVRGZNTYCB-LLVKDONJSA-N 1 0 294.355 1.435 20 5 CDBDRO C[C@H](NC(=O)N1CCC[C@@H]1C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000418236098 374260047 /nfs/dbraw/zinc/26/00/47/374260047.db2.gz UDWAASMIDZYEAP-GXFFZTMASA-N 1 0 292.339 1.789 20 5 CDBDRO COC[C@@H](O)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417308776 374245497 /nfs/dbraw/zinc/24/54/97/374245497.db2.gz ICNXGFRPSZAFEH-ZFWWWQNUSA-N 1 0 294.351 1.959 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[C@@H](C)[NH3+])c1 ZINC000420159379 374288750 /nfs/dbraw/zinc/28/87/50/374288750.db2.gz SCIFEERPZUBHNJ-MRVPVSSYSA-N 1 0 267.285 1.531 20 5 CDBDRO C[C@@H]1C[C@H](CO)C[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000420943746 374308115 /nfs/dbraw/zinc/30/81/15/374308115.db2.gz QEPHQHMBOBXDCL-OLZOCXBDSA-N 1 0 294.351 1.924 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C)[NH+](C)C ZINC000421742234 374330193 /nfs/dbraw/zinc/33/01/93/374330193.db2.gz FWZYOJIGUPFKDS-NSHDSACASA-N 1 0 279.340 1.892 20 5 CDBDRO CC[C@](C)(CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000080108562 374446652 /nfs/dbraw/zinc/44/66/52/374446652.db2.gz ZZMJKMJQZVTUSV-CYBMUJFWSA-N 1 0 252.314 1.888 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC12CCC2 ZINC000373095807 374460340 /nfs/dbraw/zinc/46/03/40/374460340.db2.gz AIOZFIXJXSEAIW-UHFFFAOYSA-N 1 0 250.302 1.847 20 5 CDBDRO C[C@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000275510249 374698159 /nfs/dbraw/zinc/69/81/59/374698159.db2.gz MIPRJFUMXUNLSE-NSHDSACASA-N 1 0 294.355 1.271 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N(C)CC[N@H+](C)C1CC1 ZINC000274481707 374674193 /nfs/dbraw/zinc/67/41/93/374674193.db2.gz OGCPHVZZAAYLMM-UHFFFAOYSA-N 1 0 264.329 1.829 20 5 CDBDRO CCOc1cc(C[N@@H+]2CC[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000276830335 374751496 /nfs/dbraw/zinc/75/14/96/374751496.db2.gz AWYVZYMOOFSZEV-GFCCVEGCSA-N 1 0 280.324 1.808 20 5 CDBDRO CCc1n[nH]c(C(=O)NCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000278044967 374829531 /nfs/dbraw/zinc/82/95/31/374829531.db2.gz QVMORRJFGQFALN-UHFFFAOYSA-N 1 0 295.343 1.096 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000330567007 374867151 /nfs/dbraw/zinc/86/71/51/374867151.db2.gz BAPGQVPUUVQNPN-CHWSQXEVSA-N 1 0 293.367 1.998 20 5 CDBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CCC1OCCO1 ZINC000282405361 375084182 /nfs/dbraw/zinc/08/41/82/375084182.db2.gz IELHDBJWYSYLNS-UHFFFAOYSA-N 1 0 280.324 1.832 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1Cc1csc([N+](=O)[O-])c1 ZINC000131551126 375284606 /nfs/dbraw/zinc/28/46/06/375284606.db2.gz DQWWGTQGLLACAN-RKDXNWHRSA-N 1 0 255.343 1.825 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000162038888 375261606 /nfs/dbraw/zinc/26/16/06/375261606.db2.gz ZEFDNZPBAOHILW-YUMQZZPRSA-N 1 0 253.258 1.188 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000351864400 375335958 /nfs/dbraw/zinc/33/59/58/375335958.db2.gz XONJODUHWAFYMI-NXEZZACHSA-N 1 0 267.304 1.903 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)C(F)F ZINC000344765762 375421569 /nfs/dbraw/zinc/42/15/69/375421569.db2.gz CYTHGMXOVCPQDI-SNVBAGLBSA-N 1 0 290.266 1.709 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000029588929 375443947 /nfs/dbraw/zinc/44/39/47/375443947.db2.gz PANQIFHDSUJABF-VIFPVBQESA-N 1 0 265.317 1.225 20 5 CDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H]1C ZINC000353235799 375589849 /nfs/dbraw/zinc/58/98/49/375589849.db2.gz SAHFLBLJUASLAS-UWVGGRQHSA-N 1 0 295.343 1.263 20 5 CDBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000057719536 375566463 /nfs/dbraw/zinc/56/64/63/375566463.db2.gz FCPXYPVAJAGPPB-NSHDSACASA-N 1 0 291.351 1.736 20 5 CDBDRO CS[C@H](CO)[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000228382002 375753507 /nfs/dbraw/zinc/75/35/07/375753507.db2.gz DMJQJVMWZMILMZ-ZWNOBZJWSA-N 1 0 284.381 1.839 20 5 CDBDRO CC[N@H+](CCC1CC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000355038557 375770327 /nfs/dbraw/zinc/77/03/27/375770327.db2.gz RDIMDVYXKNKZKQ-CYBMUJFWSA-N 1 0 282.344 1.274 20 5 CDBDRO CC[NH+](CC)CCCCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356472208 375847823 /nfs/dbraw/zinc/84/78/23/375847823.db2.gz YSLNJWZALFRVPB-UHFFFAOYSA-N 1 0 297.359 1.180 20 5 CDBDRO CCCC[N@H+](C)CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357266924 375894640 /nfs/dbraw/zinc/89/46/40/375894640.db2.gz VKBLBVMXKBXTPZ-UHFFFAOYSA-N 1 0 295.343 1.233 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000194742922 375960501 /nfs/dbraw/zinc/96/05/01/375960501.db2.gz UMBNHKZORHZCCJ-GFCCVEGCSA-N 1 0 293.323 1.184 20 5 CDBDRO CCOc1cc(NC[C@]2(O)CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000358306900 375960546 /nfs/dbraw/zinc/96/05/46/375960546.db2.gz NKWYPHUJRJSBOV-CQSZACIVSA-N 1 0 295.339 1.472 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H]1CCNC1=O ZINC000347361507 376010994 /nfs/dbraw/zinc/01/09/94/376010994.db2.gz PBABBDCPQSWQPJ-KOTGUFOOSA-N 1 0 289.335 1.818 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000307914169 376321051 /nfs/dbraw/zinc/32/10/51/376321051.db2.gz NQAPTRKSZOXVCB-KTRBRXNASA-N 1 0 289.335 1.865 20 5 CDBDRO O=[N+]([O-])c1ccc(CCN(C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000435231026 248158467 /nfs/dbraw/zinc/15/84/67/248158467.db2.gz FSVZSQLWEYHZRG-OAHLLOKOSA-N 1 0 275.352 1.964 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435244136 248161377 /nfs/dbraw/zinc/16/13/77/248161377.db2.gz BVDBCKVWEGEZAR-CYBMUJFWSA-N 1 0 289.335 1.870 20 5 CDBDRO COc1cc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)ccc1[N+](=O)[O-] ZINC000189302496 377226446 /nfs/dbraw/zinc/22/64/46/377226446.db2.gz GNDWUVSSZPVHMW-ONGXEEELSA-N 1 0 293.323 1.474 20 5 CDBDRO COCC[C@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000172070535 377240873 /nfs/dbraw/zinc/24/08/73/377240873.db2.gz VORLLKQPKWVIQN-ZDUSSCGKSA-N 1 0 268.313 1.472 20 5 CDBDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc([N+](=O)[O-])cc1 ZINC000294295245 377393161 /nfs/dbraw/zinc/39/31/61/377393161.db2.gz NAOAHADTSKUEOK-GDLCADMTSA-N 1 0 280.324 1.785 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H](OCCO)C2)cc1 ZINC000172301846 377432558 /nfs/dbraw/zinc/43/25/58/377432558.db2.gz ZPPIZQNJEFKCGV-OAHLLOKOSA-N 1 0 294.351 1.611 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1csc([N+](=O)[O-])c1 ZINC000131551528 377678446 /nfs/dbraw/zinc/67/84/46/377678446.db2.gz DQWWGTQGLLACAN-BDAKNGLRSA-N 1 0 255.343 1.825 20 5 CDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000347697813 377856444 /nfs/dbraw/zinc/85/64/44/377856444.db2.gz RFQZJIYIBJADPV-PHIMTYICSA-N 1 0 293.298 1.368 20 5 CDBDRO COC[C@H](O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000129581997 378180164 /nfs/dbraw/zinc/18/01/64/378180164.db2.gz CHXSZWCIOBGMRY-ZIAGYGMSSA-N 1 0 294.351 1.513 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2(O)CCC2)n1 ZINC000447535636 250382095 /nfs/dbraw/zinc/38/20/95/250382095.db2.gz HLSYFAGSMRIBCE-RYUDHWBXSA-N 1 0 294.355 1.780 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH2+]CC1 ZINC000041031574 379293536 /nfs/dbraw/zinc/29/35/36/379293536.db2.gz LSUHUGZNQDEROS-UHFFFAOYSA-N 1 0 263.297 1.385 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000449727926 250987839 /nfs/dbraw/zinc/98/78/39/250987839.db2.gz SIXAYDKEKXLDMI-STQMWFEESA-N 1 0 291.351 1.771 20 5 CDBDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000280928634 195033364 /nfs/dbraw/zinc/03/33/64/195033364.db2.gz HYPVMGIVNADNBJ-JTQLQIEISA-N 1 0 298.364 1.823 20 5 CDBDRO C[NH+](C)CC1(NC(=O)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000281105259 195106253 /nfs/dbraw/zinc/10/62/53/195106253.db2.gz QLUZTBPGEHOMAI-UHFFFAOYSA-N 1 0 291.351 1.738 20 5 CDBDRO CCOc1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000492766722 253290701 /nfs/dbraw/zinc/29/07/01/253290701.db2.gz GUGDMMWEYCVRJJ-JQWIXIFHSA-N 1 0 280.324 1.949 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1COC[C@H]1O)CCC2 ZINC000295951344 285145785 /nfs/dbraw/zinc/14/57/85/285145785.db2.gz MFJBVJMFOCPDDV-MGPQQGTHSA-N 1 0 278.308 1.322 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H](CO)C[NH+]2CCCCC2)nc1 ZINC000288835923 197175937 /nfs/dbraw/zinc/17/59/37/197175937.db2.gz CBMBCBGTWOSRSY-LLVKDONJSA-N 1 0 280.328 1.249 20 5 CDBDRO COC[C@](C)(O)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000394616998 390188783 /nfs/dbraw/zinc/18/87/83/390188783.db2.gz WHJMTVHRLYSOPT-CYBMUJFWSA-N 1 0 284.312 1.090 20 5 CDBDRO C[C@H](O)CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450570523 390488797 /nfs/dbraw/zinc/48/87/97/390488797.db2.gz PFQWZQOHYJRNQK-WDEREUQCSA-N 1 0 280.328 1.247 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000261694463 390482581 /nfs/dbraw/zinc/48/25/81/390482581.db2.gz HZPJYRUWVZLQRP-MRVPVSSYSA-N 1 0 293.352 1.917 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000320784268 390520673 /nfs/dbraw/zinc/52/06/73/390520673.db2.gz FBLXSWOTGXQYBJ-RQJHMYQMSA-N 1 0 257.315 1.512 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(N)c3F)[C@@H]2C1 ZINC000286576122 390521188 /nfs/dbraw/zinc/52/11/88/390521188.db2.gz RZNYANPUSVHZQW-BXKDBHETSA-N 1 0 294.330 1.847 20 5 CDBDRO CC(C)[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000340631865 390941956 /nfs/dbraw/zinc/94/19/56/390941956.db2.gz XZHRDRPCAMKNEJ-UHFFFAOYSA-N 1 0 294.355 1.490 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000516651761 391163444 /nfs/dbraw/zinc/16/34/44/391163444.db2.gz IIFMRMGATFOKGO-SFYZADRCSA-N 1 0 295.295 1.179 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000384766827 391429271 /nfs/dbraw/zinc/42/92/71/391429271.db2.gz NVYWJYDYJKWLOK-ANCZFUFASA-N 1 0 289.335 1.804 20 5 CDBDRO C[C@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000415633337 391470025 /nfs/dbraw/zinc/47/00/25/391470025.db2.gz QLYSYBNYXLALSV-QMMMGPOBSA-N 1 0 282.275 1.560 20 5 CDBDRO C[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000415635578 391470433 /nfs/dbraw/zinc/47/04/33/391470433.db2.gz VCNPHKRUVWXXFT-RDDDGLTNSA-N 1 0 282.275 1.545 20 5 CDBDRO Cc1nc(NCC[N@@H+]2CCCC2(C)C)ncc1[N+](=O)[O-] ZINC000450951154 391500442 /nfs/dbraw/zinc/50/04/42/391500442.db2.gz OZWAHCVKDDDURY-UHFFFAOYSA-N 1 0 279.344 1.401 20 5 CDBDRO C[NH+](C)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000416290183 391983503 /nfs/dbraw/zinc/98/35/03/391983503.db2.gz LLHXBOKLAIKLEZ-UHFFFAOYSA-N 1 0 277.324 1.348 20 5 CDBDRO Cc1ccc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000235725908 130953979 /nfs/dbraw/zinc/95/39/79/130953979.db2.gz UBQONSLGATXAJA-CMPLNLGQSA-N 1 0 277.324 1.774 20 5 CDBDRO CCc1ccc(C(=O)N2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000237137660 131007122 /nfs/dbraw/zinc/00/71/22/131007122.db2.gz SSPNEQLZQQMWHD-JTQLQIEISA-N 1 0 277.324 1.591 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]CC2)c1 ZINC000237333073 131024801 /nfs/dbraw/zinc/02/48/01/131024801.db2.gz CYMXAPPJRLCQHK-UHFFFAOYSA-N 1 0 281.337 1.362 20 5 CDBDRO C[C@@](C[NH3+])(NC(=O)CNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000237625968 131048933 /nfs/dbraw/zinc/04/89/33/131048933.db2.gz HAWKUTRDSLQFFH-AWEZNQCLSA-N 1 0 292.339 1.250 20 5 CDBDRO [NH3+]CC1(NC(=O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000238016423 131072748 /nfs/dbraw/zinc/07/27/48/131072748.db2.gz DZXCVJGGPILBSC-UHFFFAOYSA-N 1 0 293.323 1.361 20 5 CDBDRO [NH3+]CC1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000238030012 131073807 /nfs/dbraw/zinc/07/38/07/131073807.db2.gz GQYAUKBMIKJKCH-UHFFFAOYSA-N 1 0 293.323 1.171 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261586739 131154459 /nfs/dbraw/zinc/15/44/59/131154459.db2.gz JAPIATLFUVLEAP-GFCCVEGCSA-N 1 0 281.337 1.482 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261595102 131154994 /nfs/dbraw/zinc/15/49/94/131154994.db2.gz NWTMVTMATUGPQM-BDAKNGLRSA-N 1 0 281.337 1.338 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261596402 131155218 /nfs/dbraw/zinc/15/52/18/131155218.db2.gz OOVSQQDHRFLTMH-LBPRGKRZSA-N 1 0 281.337 1.482 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261728001 131165001 /nfs/dbraw/zinc/16/50/01/131165001.db2.gz QTDQHHPQIGNLEX-RYUDHWBXSA-N 1 0 289.335 1.585 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH2+]CC2)c1 ZINC000262097415 131190765 /nfs/dbraw/zinc/19/07/65/131190765.db2.gz BREVLOMPXRIKFO-UHFFFAOYSA-N 1 0 295.364 1.799 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000262594966 131238525 /nfs/dbraw/zinc/23/85/25/131238525.db2.gz IREJAZPABHOHKE-SNVBAGLBSA-N 1 0 294.355 1.733 20 5 CDBDRO O=C(C[NH2+]CC1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000262640902 131245823 /nfs/dbraw/zinc/24/58/23/131245823.db2.gz ZMJVBEXXQAZDPN-UHFFFAOYSA-N 1 0 275.308 1.484 20 5 CDBDRO Cc1sc(C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262832855 131266325 /nfs/dbraw/zinc/26/63/25/131266325.db2.gz VNFFBPLYGRHJOY-JGVFFNPUSA-N 1 0 283.353 1.787 20 5 CDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000368588237 392936652 /nfs/dbraw/zinc/93/66/52/392936652.db2.gz DFFRFEJGVBLZHP-GWCFXTLKSA-N 1 0 290.323 1.156 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000269106286 132113443 /nfs/dbraw/zinc/11/34/43/132113443.db2.gz BUQDBBONMJCTES-NSHDSACASA-N 1 0 293.323 1.184 20 5 CDBDRO CC(C)(C(=O)N1CC[C@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000269169463 132124283 /nfs/dbraw/zinc/12/42/83/132124283.db2.gz SEPMBKAKFCLMAP-LLVKDONJSA-N 1 0 291.351 1.680 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000269262247 132145797 /nfs/dbraw/zinc/14/57/97/132145797.db2.gz JQZKYMOEXMDWRG-SECBINFHSA-N 1 0 284.291 1.029 20 5 CDBDRO CCc1ccc(C(=O)NC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000269302230 132152188 /nfs/dbraw/zinc/15/21/88/132152188.db2.gz YCDKOTBFTANYMX-LBPRGKRZSA-N 1 0 279.340 1.870 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000194924684 393010819 /nfs/dbraw/zinc/01/08/19/393010819.db2.gz OYVIKQUXPKULTL-MRVPVSSYSA-N 1 0 278.312 1.246 20 5 CDBDRO [NH3+]C[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430937050 393104746 /nfs/dbraw/zinc/10/47/46/393104746.db2.gz YUPZWIKCSSHAIF-SECBINFHSA-N 1 0 253.277 1.515 20 5 CDBDRO CN(C)C(=O)CN(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116270679 393036748 /nfs/dbraw/zinc/03/67/48/393036748.db2.gz CIMOIBWMPRASOQ-UHFFFAOYSA-N 1 0 285.731 1.768 20 5 CDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000532080414 393065951 /nfs/dbraw/zinc/06/59/51/393065951.db2.gz WRBGGPFLCBLPQM-CABZTGNLSA-N 1 0 292.339 1.146 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC(=O)N(C)C1 ZINC000449112807 393129542 /nfs/dbraw/zinc/12/95/42/393129542.db2.gz SUQXSYPDVHMRIV-PWSUYJOCSA-N 1 0 277.324 1.346 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C(F)F ZINC000449176774 393132266 /nfs/dbraw/zinc/13/22/66/393132266.db2.gz ULLKKZMGNZZAAP-KCJUWKMLSA-N 1 0 274.267 1.741 20 5 CDBDRO CSc1ccc(C(=O)N[C@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000449596577 393135674 /nfs/dbraw/zinc/13/56/74/393135674.db2.gz XTYMDYVTMGFNOH-HTQZYQBOSA-N 1 0 283.353 1.782 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449602545 393136089 /nfs/dbraw/zinc/13/60/89/393136089.db2.gz PBZSRJXHJLTWPU-ZRQQLDRUSA-N 1 0 277.324 1.722 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000449665944 393137404 /nfs/dbraw/zinc/13/74/04/393137404.db2.gz RMEIGTRPUNKYGC-NSHDSACASA-N 1 0 299.277 1.630 20 5 CDBDRO C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000131128832 393195270 /nfs/dbraw/zinc/19/52/70/393195270.db2.gz QMRMDVJFVBKQAY-MFKMUULPSA-N 1 0 264.325 1.886 20 5 CDBDRO Cc1nc(N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000275369271 135105227 /nfs/dbraw/zinc/10/52/27/135105227.db2.gz NAVFAGSEMKUHAH-GHMZBOCLSA-N 1 0 294.355 1.190 20 5 CDBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000275462805 135107371 /nfs/dbraw/zinc/10/73/71/135107371.db2.gz ZAAPOOYVUNWFPV-NWDGAFQWSA-N 1 0 279.340 1.486 20 5 CDBDRO O=C(NC[C@@H]1CC[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000133705484 139870471 /nfs/dbraw/zinc/87/04/71/139870471.db2.gz RXWZTTLFNXRUFY-SECBINFHSA-N 1 0 264.285 1.326 20 5 CDBDRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000228346740 140194681 /nfs/dbraw/zinc/19/46/81/140194681.db2.gz PJNNDKVNPWILDV-YPMLDQLKSA-N 1 0 270.354 1.842 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000229582372 140202235 /nfs/dbraw/zinc/20/22/35/140202235.db2.gz GIKWHSQYVFIDMX-QWRGUYRKSA-N 1 0 277.324 1.774 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000235359388 140234234 /nfs/dbraw/zinc/23/42/34/140234234.db2.gz SSPVZJFNUWCYIJ-RDDDGLTNSA-N 1 0 283.715 1.667 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]([NH3+])C1CC1 ZINC000261584426 140355515 /nfs/dbraw/zinc/35/55/15/140355515.db2.gz SFCYSNULBWMWIO-SECBINFHSA-N 1 0 253.306 1.269 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000261602093 140360933 /nfs/dbraw/zinc/36/09/33/140360933.db2.gz QHSMHPXMUBWXED-MRVWCRGKSA-N 1 0 261.325 1.764 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261721460 140380332 /nfs/dbraw/zinc/38/03/32/140380332.db2.gz QFKNFDXYKYOHET-CQSZACIVSA-N 1 0 290.323 1.812 20 5 CDBDRO O=[N+]([O-])c1cccc(CN2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000261772089 140387992 /nfs/dbraw/zinc/38/79/92/140387992.db2.gz WENHOCHRTBXNEX-HNNXBMFYSA-N 1 0 290.367 1.074 20 5 CDBDRO COC[C@]1(CNc2nccc(C)c2[N+](=O)[O-])CCC[NH2+]1 ZINC000261823061 140394379 /nfs/dbraw/zinc/39/43/79/140394379.db2.gz UEBPOQVNYVOWPQ-CYBMUJFWSA-N 1 0 280.328 1.479 20 5 CDBDRO CC[NH2+]CCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000151358216 397626767 /nfs/dbraw/zinc/62/67/67/397626767.db2.gz NJERVOKKXXJELF-SNVBAGLBSA-N 1 0 297.380 1.801 20 5 CDBDRO Cc1cnc(N(C)CC(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC000093874542 147072541 /nfs/dbraw/zinc/07/25/41/147072541.db2.gz KWCPOHSITYWVHQ-UHFFFAOYSA-N 1 0 252.318 1.719 20 5 CDBDRO C[C@@H](NC(=O)[C@@]1(F)CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000178401339 148058518 /nfs/dbraw/zinc/05/85/18/148058518.db2.gz ZJNLKIMTVSURFU-NOZJJQNGSA-N 1 0 281.287 1.474 20 5 CDBDRO COc1cc(C[NH2+]CC2(OC)CCC2)c([N+](=O)[O-])cc1O ZINC000181075565 148173974 /nfs/dbraw/zinc/17/39/74/148173974.db2.gz UQOMPNWCTGVBOM-UHFFFAOYSA-N 1 0 296.323 1.968 20 5 CDBDRO CCCC[N@H+](C)CCNC(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000352462585 155202278 /nfs/dbraw/zinc/20/22/78/155202278.db2.gz SVCXMCCXFLIURB-UHFFFAOYSA-N 1 0 297.359 1.342 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000262452689 149064202 /nfs/dbraw/zinc/06/42/02/149064202.db2.gz KEZPKFLOVKIBRQ-SECBINFHSA-N 1 0 281.312 1.331 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352660322 155329506 /nfs/dbraw/zinc/32/95/06/155329506.db2.gz NHQMLXIJPHXBOW-OLZOCXBDSA-N 1 0 280.324 1.949 20 5 CDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[N@@H+]1CCCC[C@H]1C ZINC000343071561 152021010 /nfs/dbraw/zinc/02/10/10/152021010.db2.gz FTPINOSKRMRRAG-GHMZBOCLSA-N 1 0 294.355 1.916 20 5 CDBDRO Cc1cc(C(=O)NCCOCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000345932080 153000336 /nfs/dbraw/zinc/00/03/36/153000336.db2.gz MTDRKJQSNQIXRT-UHFFFAOYSA-N 1 0 295.339 1.211 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000346127257 153062065 /nfs/dbraw/zinc/06/20/65/153062065.db2.gz CHXAJPOHHZNHJU-SECBINFHSA-N 1 0 283.303 1.343 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000346270334 153119364 /nfs/dbraw/zinc/11/93/64/153119364.db2.gz QNLZFURRAIUMJA-LLVKDONJSA-N 1 0 294.355 1.463 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C[NH3+])C2CC2)c1 ZINC000088147815 292283597 /nfs/dbraw/zinc/28/35/97/292283597.db2.gz FLXVACVIWNJYLJ-LLVKDONJSA-N 1 0 263.297 1.370 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000261631302 292292578 /nfs/dbraw/zinc/29/25/78/292292578.db2.gz WBFHWZKPAAAUEO-JOYOIKCWSA-N 1 0 263.297 1.465 20 5 CDBDRO C[C@@H](CO)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000349299891 154084446 /nfs/dbraw/zinc/08/44/46/154084446.db2.gz RTOZNFQEENFOJP-XOIDGJRKSA-N 1 0 250.298 1.921 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000349985333 154298539 /nfs/dbraw/zinc/29/85/39/154298539.db2.gz FWHJXLLVGYMVJK-SNVBAGLBSA-N 1 0 280.328 1.250 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@]2(O)CCSC2)c(F)c1 ZINC000350289557 154360600 /nfs/dbraw/zinc/36/06/00/154360600.db2.gz RBBWGIQTGSKVRB-LBPRGKRZSA-N 1 0 286.328 1.692 20 5 CDBDRO CC[N@H+](C[C@H](C)O)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000352221442 155034368 /nfs/dbraw/zinc/03/43/68/155034368.db2.gz MCNZJIZYAOAKQF-QWRGUYRKSA-N 1 0 295.339 1.625 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC3(CCOCC3)CC2)n1 ZINC000375292009 160362767 /nfs/dbraw/zinc/36/27/67/160362767.db2.gz KWSXNFAIHDLGGH-UHFFFAOYSA-N 1 0 294.355 1.684 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000353783782 156081190 /nfs/dbraw/zinc/08/11/90/156081190.db2.gz CCXCKMCSFLIDDM-CYBMUJFWSA-N 1 0 292.339 1.217 20 5 CDBDRO C[C@@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355551409 157113247 /nfs/dbraw/zinc/11/32/47/157113247.db2.gz ICAFSOJXLGTTLP-SNVBAGLBSA-N 1 0 252.318 1.950 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362090191 159067445 /nfs/dbraw/zinc/06/74/45/159067445.db2.gz XJSJVJGURDRRNX-ZYHUDNBSSA-N 1 0 280.324 1.664 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[C@@H]1[NH+](C)C ZINC000362681011 159212286 /nfs/dbraw/zinc/21/22/86/159212286.db2.gz LZMSYYPCQZGCIY-BDAKNGLRSA-N 1 0 253.306 1.223 20 5 CDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090321444 163743526 /nfs/dbraw/zinc/74/35/26/163743526.db2.gz ZIFXTEBMQHFTAM-GHEOONOUSA-N 1 0 287.319 1.286 20 5 CDBDRO CCNC(=O)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000035136206 172003925 /nfs/dbraw/zinc/00/39/25/172003925.db2.gz PJYSKNGTJSWQGC-VIFPVBQESA-N 1 0 251.286 1.209 20 5 CDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[NH+]1CCC(C)CC1 ZINC000285123205 196201066 /nfs/dbraw/zinc/20/10/66/196201066.db2.gz MVDMWYQRQLJSJC-SNVBAGLBSA-N 1 0 295.343 1.168 20 5 CDBDRO COc1ccc(OCC[N@H+](C)C2(CO)CC2)c([N+](=O)[O-])c1 ZINC000285571938 196330353 /nfs/dbraw/zinc/33/03/53/196330353.db2.gz SOFMKZIDYDUIFI-UHFFFAOYSA-N 1 0 296.323 1.439 20 5 CDBDRO O=C(CC1CC[NH2+]CC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000038075576 174085878 /nfs/dbraw/zinc/08/58/78/174085878.db2.gz BAYKQSFRHWZRTC-UHFFFAOYSA-N 1 0 277.324 1.601 20 5 CDBDRO C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000038083178 174092608 /nfs/dbraw/zinc/09/26/08/174092608.db2.gz NHQAPFZJELNTTG-WDEREUQCSA-N 1 0 298.364 1.680 20 5 CDBDRO Cc1nnc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1C ZINC000040676066 174374018 /nfs/dbraw/zinc/37/40/18/174374018.db2.gz KPBVFCASUHHFDX-UHFFFAOYSA-N 1 0 275.312 1.364 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000041028379 174453600 /nfs/dbraw/zinc/45/36/00/174453600.db2.gz YDGGTVZWZSRVBV-NSHDSACASA-N 1 0 263.297 1.087 20 5 CDBDRO O=C(NCCC[NH+]1CCCC1)c1csc([N+](=O)[O-])c1 ZINC000044355278 175167355 /nfs/dbraw/zinc/16/73/55/175167355.db2.gz WFLLQOXLCGVFLF-UHFFFAOYSA-N 1 0 283.353 1.872 20 5 CDBDRO Cc1c(C(=O)NC[C@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000044492153 175181122 /nfs/dbraw/zinc/18/11/22/175181122.db2.gz IYXSCSXHCUHZSG-LLVKDONJSA-N 1 0 277.324 1.775 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000044528487 175193153 /nfs/dbraw/zinc/19/31/53/175193153.db2.gz WSTMFIJFVDYNNH-GUOLPTJISA-N 1 0 289.335 1.805 20 5 CDBDRO CCCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000071315329 176121473 /nfs/dbraw/zinc/12/14/73/176121473.db2.gz CPCUAVQAFFQXFE-CYBMUJFWSA-N 1 0 277.324 1.809 20 5 CDBDRO Cc1cc(-n2ccnc2)ccc1Cn1cnc([N+](=O)[O-])n1 ZINC000191559425 227036537 /nfs/dbraw/zinc/03/65/37/227036537.db2.gz ZAXKLAJPKDKYND-UHFFFAOYSA-N 1 0 284.279 1.729 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000313250901 260272112 /nfs/dbraw/zinc/27/21/12/260272112.db2.gz FDCCSJODTJJLNB-GGCNOCFKSA-N 1 0 289.335 1.946 20 5 CDBDRO Cc1cnc(NCC2([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000397906149 270352533 /nfs/dbraw/zinc/35/25/33/270352533.db2.gz WFIDHUYHIPEJGA-UHFFFAOYSA-N 1 0 250.302 1.804 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCN2CCC(O)CC2)c(F)c1 ZINC000321761202 270330548 /nfs/dbraw/zinc/33/05/48/270330548.db2.gz DJYHYMNRZOWWGR-UHFFFAOYSA-N 1 0 297.330 1.280 20 5 CDBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H]1C[NH3+] ZINC000397376061 270350098 /nfs/dbraw/zinc/35/00/98/270350098.db2.gz IPOHUBBTTBJJFD-BBBLOLIVSA-N 1 0 280.328 1.368 20 5 CDBDRO COC[C@](C)([NH3+])CNc1ccc(C)cc1[N+](=O)[O-] ZINC000269971409 274052472 /nfs/dbraw/zinc/05/24/72/274052472.db2.gz XODFSNZBTJQXAS-GFCCVEGCSA-N 1 0 253.302 1.679 20 5 CDBDRO Cc1cc(C(=O)N2CCC[C@@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000135241678 274678376 /nfs/dbraw/zinc/67/83/76/274678376.db2.gz AZBGONNIFOPGPM-LLVKDONJSA-N 1 0 263.297 1.467 20 5 CDBDRO [NH3+]C1(CO)CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000302779248 274943062 /nfs/dbraw/zinc/94/30/62/274943062.db2.gz QOZVFIHXWPTAPU-UHFFFAOYSA-N 1 0 285.731 1.538 20 5 CDBDRO CC(C)[C@H](C)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000178341840 275697271 /nfs/dbraw/zinc/69/72/71/275697271.db2.gz GRHFWUPVEDMCIK-ZLKJLUDKSA-N 1 0 282.340 1.623 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000053202183 277042044 /nfs/dbraw/zinc/04/20/44/277042044.db2.gz ACIICRWMRDGPPR-NSHDSACASA-N 1 0 277.324 1.727 20 5 CDBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ncccc3[N+](=O)[O-])C2)C1 ZINC000292915185 277072813 /nfs/dbraw/zinc/07/28/13/277072813.db2.gz XUMFQLNFVXVUJZ-CQSZACIVSA-N 1 0 276.340 1.912 20 5 CDBDRO CNC(=O)c1ccc(N2CCC[C@H]([NH2+]C)C2)c([N+](=O)[O-])c1 ZINC000212640542 277258658 /nfs/dbraw/zinc/25/86/58/277258658.db2.gz DCPHPJZJGKNVCT-NSHDSACASA-N 1 0 292.339 1.143 20 5 CDBDRO C[NH2+][C@H]1CCCN(c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000135050978 277300424 /nfs/dbraw/zinc/30/04/24/277300424.db2.gz TWPUNODRWKTSCD-JTQLQIEISA-N 1 0 265.313 1.792 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000186717061 278564562 /nfs/dbraw/zinc/56/45/62/278564562.db2.gz RHSATQPWBBIGRA-KCJUWKMLSA-N 1 0 297.742 1.976 20 5 CDBDRO Cc1cc(F)cc(C(=O)N(C)[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000179115645 278695729 /nfs/dbraw/zinc/69/57/29/278695729.db2.gz RYZHCEPIWMNIJO-SNVBAGLBSA-N 1 0 281.287 1.476 20 5 CDBDRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000108347000 279306062 /nfs/dbraw/zinc/30/60/62/279306062.db2.gz HYWOTYMDJLHZAN-GFCCVEGCSA-N 1 0 291.351 1.975 20 5 CDBDRO CC(C)[N@H+](C)CC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000288571483 279350006 /nfs/dbraw/zinc/35/00/06/279350006.db2.gz ZWEYSQAFWKWRPG-UHFFFAOYSA-N 1 0 293.367 1.936 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000178671949 279396422 /nfs/dbraw/zinc/39/64/22/279396422.db2.gz NSTTYNZPSREOOR-VIFPVBQESA-N 1 0 283.353 1.540 20 5 CDBDRO C[C@@](C[NH3+])(NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000127292189 279526854 /nfs/dbraw/zinc/52/68/54/279526854.db2.gz ZEHLFTXLXYLWCY-PXTSUWAFSA-N 1 0 289.335 1.852 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H]1C ZINC000262885609 280049784 /nfs/dbraw/zinc/04/97/84/280049784.db2.gz WJVXISCQAIQIBX-RKDXNWHRSA-N 1 0 281.287 1.556 20 5 CDBDRO C[C@H]1[C@H](N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCC[N@@H+]1C ZINC000447684583 280116185 /nfs/dbraw/zinc/11/61/85/280116185.db2.gz BTOPQCNJLSSIRE-GXSJLCMTSA-N 1 0 289.339 1.788 20 5 CDBDRO Cc1ccc(NCCCNC(=O)[C@@H]2C[C@@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000424131483 280916083 /nfs/dbraw/zinc/91/60/83/280916083.db2.gz VEGKJZSUOWAQRM-MNOVXSKESA-N 1 0 292.339 1.169 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([NH3+])(CO)CC2)c1 ZINC000301552979 281010539 /nfs/dbraw/zinc/01/05/39/281010539.db2.gz HMRFJLBAKRQSGM-UHFFFAOYSA-N 1 0 265.313 1.193 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000289864375 288357224 /nfs/dbraw/zinc/35/72/24/288357224.db2.gz GRZZHXGSBVRTFY-ZYHUDNBSSA-N 1 0 289.335 1.872 20 5 CDBDRO C[NH+](C)CCCCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000552549417 290075759 /nfs/dbraw/zinc/07/57/59/290075759.db2.gz HMLFBULHCLVOQU-UHFFFAOYSA-N 1 0 279.340 1.943 20 5 CDBDRO Cc1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000561188364 293060003 /nfs/dbraw/zinc/06/00/03/293060003.db2.gz BJEFQCPSRDFQMH-UHFFFAOYSA-N 1 0 290.323 1.805 20 5 CDBDRO CNc1ccc(C(=O)NCC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000567829122 293882879 /nfs/dbraw/zinc/88/28/79/293882879.db2.gz IQTBDLLJTAUNRB-SNVBAGLBSA-N 1 0 292.339 1.366 20 5 CDBDRO O=C(CC[NH2+]C[C@@H](O)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000570396916 294230844 /nfs/dbraw/zinc/23/08/44/294230844.db2.gz YAKHGEMAPOVIIW-CYBMUJFWSA-N 1 0 293.323 1.284 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000571254417 294395873 /nfs/dbraw/zinc/39/58/73/294395873.db2.gz HYTXORXIAVSQPL-GFCCVEGCSA-N 1 0 293.323 1.474 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000571643933 294476986 /nfs/dbraw/zinc/47/69/86/294476986.db2.gz HNUGWTBGARQATI-UWVGGRQHSA-N 1 0 295.339 1.849 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000573583239 294847630 /nfs/dbraw/zinc/84/76/30/294847630.db2.gz XHPZMVWOSPZADE-CYBMUJFWSA-N 1 0 292.339 1.488 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000044528142 295251632 /nfs/dbraw/zinc/25/16/32/295251632.db2.gz MWXAROBVDXOGAN-VIFPVBQESA-N 1 0 281.287 1.545 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000236239902 303396682 /nfs/dbraw/zinc/39/66/82/303396682.db2.gz FSUUAIMZOSTAPF-QMMMGPOBSA-N 1 0 270.720 1.961 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000122306865 303423473 /nfs/dbraw/zinc/42/34/73/303423473.db2.gz LFBFQPZJGSVKKF-SECBINFHSA-N 1 0 283.715 1.812 20 5 CDBDRO C[C@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000563562360 316331807 /nfs/dbraw/zinc/33/18/07/316331807.db2.gz VVBHCAQSMCLFQX-GXFFZTMASA-N 1 0 292.339 1.474 20 5 CDBDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000566217554 316518853 /nfs/dbraw/zinc/51/88/53/316518853.db2.gz SRWRRASSXYCLKZ-DGCLKSJQSA-N 1 0 266.297 1.407 20 5 CDBDRO CC[C@@H](CCO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000578070244 317463960 /nfs/dbraw/zinc/46/39/60/317463960.db2.gz MXEXVDAEIYZYJB-NSHDSACASA-N 1 0 295.339 1.674 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH2+]CC1 ZINC000578132617 317476718 /nfs/dbraw/zinc/47/67/18/317476718.db2.gz OSWJLFHWMPSVSW-UHFFFAOYSA-N 1 0 293.323 1.475 20 5 CDBDRO CC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@H]1CCCO1 ZINC000182277537 323271461 /nfs/dbraw/zinc/27/14/61/323271461.db2.gz RKCKKDXPWSGKCE-WDEREUQCSA-N 1 0 268.317 1.339 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000382462677 323642117 /nfs/dbraw/zinc/64/21/17/323642117.db2.gz XKNPSHKWZSMVGJ-MWLCHTKSSA-N 1 0 278.312 1.844 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000382511433 323644422 /nfs/dbraw/zinc/64/44/22/323644422.db2.gz OYEDCZBJAILUQV-CBAPKCEASA-N 1 0 269.326 1.514 20 5 CDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C1CC([NH3+])C1 ZINC000384886658 323693509 /nfs/dbraw/zinc/69/35/09/323693509.db2.gz SGJCLHOHSMSKPZ-UHFFFAOYSA-N 1 0 299.352 1.013 20 5 CDBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC[C@H]1CCNC1=O ZINC000579137400 324117120 /nfs/dbraw/zinc/11/71/20/324117120.db2.gz BDYLIKCILYUNEJ-CYBMUJFWSA-N 1 0 291.351 1.595 20 5 CDBDRO C[N@@H+]1CC[C@](O)(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000579494192 324206939 /nfs/dbraw/zinc/20/69/39/324206939.db2.gz GPACXNCDOVQPQY-HIFRSBDPSA-N 1 0 291.351 1.238 20 5 CDBDRO C[C@@H](C(=O)NC[C@H]1CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000580143464 324376746 /nfs/dbraw/zinc/37/67/46/324376746.db2.gz XIKYARVMXARTEY-VXGBXAGGSA-N 1 0 291.351 1.766 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC23CC3)c1 ZINC000582959897 325077076 /nfs/dbraw/zinc/07/70/76/325077076.db2.gz RBUVFQJWOHJIHK-AAEUAGOBSA-N 1 0 292.335 1.724 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CC23CC3)c1 ZINC000582959900 325077910 /nfs/dbraw/zinc/07/79/10/325077910.db2.gz RBUVFQJWOHJIHK-YPMHNXCESA-N 1 0 292.335 1.724 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccco2)c1 ZINC000584066380 326914676 /nfs/dbraw/zinc/91/46/76/326914676.db2.gz RFMZIFHRSAMGGZ-LBPRGKRZSA-N 1 0 292.291 1.717 20 5 CDBDRO CCN(c1cc([N+](=O)[O-])ccn1)[C@H]1CCC[NH2+]C1 ZINC000110947556 1159571784 /nfs/dbraw/zinc/57/17/84/1159571784.db2.gz MGBYYOCJUQTUSC-NSHDSACASA-N 1 0 250.302 1.568 20 5 CDBDRO COc1cc(C[NH2+][C@H]2CO[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000574277702 482850588 /nfs/dbraw/zinc/85/05/88/482850588.db2.gz ZLSMKBSWUWXJIN-GXSJLCMTSA-N 1 0 296.323 1.879 20 5 CDBDRO Cc1c(CNC(=O)NC[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000418085397 533857892 /nfs/dbraw/zinc/85/78/92/533857892.db2.gz XYDCWGJQQHDFEP-LBPRGKRZSA-N 1 0 292.339 1.454 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2)C1 ZINC001168967631 1161996237 /nfs/dbraw/zinc/99/62/37/1161996237.db2.gz ROOXTDWLXMJOJK-RYUDHWBXSA-N 1 0 250.298 1.927 20 5 CDBDRO CC[C@H]([NH2+][C@H]1COC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000323370680 535948357 /nfs/dbraw/zinc/94/83/57/535948357.db2.gz DYQHDAGOIQMETC-AVGNSLFASA-N 1 0 266.297 1.395 20 5 CDBDRO CC(C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000020120737 519268965 /nfs/dbraw/zinc/26/89/65/519268965.db2.gz HVVOACWJWNVNGH-UHFFFAOYSA-N 1 0 293.367 1.795 20 5 CDBDRO C[NH2+]CCC1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000226780845 521985085 /nfs/dbraw/zinc/98/50/85/521985085.db2.gz MAEBMNVOGKNNHU-UHFFFAOYSA-N 1 0 270.358 1.877 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000148789243 522030643 /nfs/dbraw/zinc/03/06/43/522030643.db2.gz FUFYEVUJPCGWRO-SECBINFHSA-N 1 0 265.313 1.489 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)CO ZINC000338596354 522975644 /nfs/dbraw/zinc/97/56/44/522975644.db2.gz HKCUWLRNSXIOSX-VIFPVBQESA-N 1 0 254.286 1.416 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]C[C@@H]1C ZINC000054371971 525457466 /nfs/dbraw/zinc/45/74/66/525457466.db2.gz BUKBEWNROHNOAS-JTQLQIEISA-N 1 0 265.313 1.397 20 5 CDBDRO C[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000050163907 525648608 /nfs/dbraw/zinc/64/86/08/525648608.db2.gz DWYRDJVVWROAEW-ONGXEEELSA-N 1 0 292.339 1.494 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000127694276 536457525 /nfs/dbraw/zinc/45/75/25/536457525.db2.gz BORKJBSIOOUCFI-NSHDSACASA-N 1 0 281.287 1.558 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000226781335 527231861 /nfs/dbraw/zinc/23/18/61/527231861.db2.gz YAZDNHQLBTTXEL-SFYZADRCSA-N 1 0 256.331 1.981 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000156307969 527374012 /nfs/dbraw/zinc/37/40/12/527374012.db2.gz AZMFQUVRZWSCDP-PWSUYJOCSA-N 1 0 290.323 1.953 20 5 CDBDRO CCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268528099 534932166 /nfs/dbraw/zinc/93/21/66/534932166.db2.gz WNQVZZMVHZQKJI-UHFFFAOYSA-N 1 0 264.329 1.830 20 5 CDBDRO CC(C)O[C@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000185246378 534932523 /nfs/dbraw/zinc/93/25/23/534932523.db2.gz VCQLWZNJKPYIGH-STQMWFEESA-N 1 0 296.371 1.973 20 5 CDBDRO CC[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000301378356 535813466 /nfs/dbraw/zinc/81/34/66/535813466.db2.gz XKTRZFINMFEDEN-CQSZACIVSA-N 1 0 293.367 1.796 20 5 CDBDRO COc1cc(C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000262761305 536888579 /nfs/dbraw/zinc/88/85/79/536888579.db2.gz IMXOJZQKQSHYNU-ZJUUUORDSA-N 1 0 293.323 1.426 20 5 CDBDRO C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000761077570 576543447 /nfs/dbraw/zinc/54/34/47/576543447.db2.gz MOSSAPBDNVYKPV-LLVKDONJSA-N 1 0 292.339 1.169 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CCO)C1CC1 ZINC000763067613 576707851 /nfs/dbraw/zinc/70/78/51/576707851.db2.gz PJGJQLLUSSEHNO-ZDUSSCGKSA-N 1 0 280.324 1.854 20 5 CDBDRO C[C@@H]1C[C@@H]1C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000754125851 576881668 /nfs/dbraw/zinc/88/16/68/576881668.db2.gz YLLQJJGJYGDWTI-WGEPELCKSA-N 1 0 280.324 1.235 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2CCOCC2)cc1 ZINC000134599373 617256939 /nfs/dbraw/zinc/25/69/39/617256939.db2.gz LCJNWZORJLMMMW-CQSZACIVSA-N 1 0 280.324 1.644 20 5 CDBDRO COc1cc(C[NH2+][C@@H]2COC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000932487456 617314321 /nfs/dbraw/zinc/31/43/21/617314321.db2.gz BLJFMIZEZQTLKD-GZMMTYOYSA-N 1 0 284.287 1.867 20 5 CDBDRO Cc1ccc(CNC(=O)N[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000892537713 617485637 /nfs/dbraw/zinc/48/56/37/617485637.db2.gz ZFYSDDWRWSLUJT-CQSZACIVSA-N 1 0 292.339 1.454 20 5 CDBDRO CC[N@@H+]1CCC[C@H](CNc2c([N+](=O)[O-])cnn2C)C1 ZINC000892123470 617492548 /nfs/dbraw/zinc/49/25/48/617492548.db2.gz STKFPIRXYNNNIZ-SNVBAGLBSA-N 1 0 267.333 1.472 20 5 CDBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000892648289 617559696 /nfs/dbraw/zinc/55/96/96/617559696.db2.gz HTQXASYHETVGDJ-JTQLQIEISA-N 1 0 296.323 1.825 20 5 CDBDRO Cc1ccc(C[NH2+]CCS(=O)(=O)C2CC2)cc1[N+](=O)[O-] ZINC000840964128 617850024 /nfs/dbraw/zinc/85/00/24/617850024.db2.gz JALJYOLYXXFTDK-UHFFFAOYSA-N 1 0 298.364 1.570 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([NH+](C)C)CC1 ZINC000893492604 617988639 /nfs/dbraw/zinc/98/86/39/617988639.db2.gz RBXDDXUHUUKLAP-LLVKDONJSA-N 1 0 294.355 1.919 20 5 CDBDRO C[N@@H+]1C[C@@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@@H]2C1 ZINC000893937854 618198802 /nfs/dbraw/zinc/19/88/02/618198802.db2.gz AYNCUYBVEDYLPM-TVQRCGJNSA-N 1 0 287.323 1.611 20 5 CDBDRO C[C@H]1CC[N@H+](CCNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000826721994 618608878 /nfs/dbraw/zinc/60/88/78/618608878.db2.gz MITVWISEXCJMCK-NSHDSACASA-N 1 0 271.361 1.280 20 5 CDBDRO CN(CC[N+](=O)[O-])CC[NH+]1CCN(c2ccccc2)CC1 ZINC000791051448 618737862 /nfs/dbraw/zinc/73/78/62/618737862.db2.gz DGNZOONMZJBRQL-UHFFFAOYSA-N 1 0 292.383 1.017 20 5 CDBDRO Cc1cnc(CCNc2c([N+](=O)[O-])cnn2C)c(C)c1 ZINC000894428619 618882174 /nfs/dbraw/zinc/88/21/74/618882174.db2.gz YXHRHRIPOJJSBA-UHFFFAOYSA-N 1 0 275.312 1.995 20 5 CDBDRO CCC[C@H]1CN(c2c([N+](=O)[O-])c(C)nn2CC)CC[NH2+]1 ZINC000895058218 619242674 /nfs/dbraw/zinc/24/26/74/619242674.db2.gz KBBUWQBLZCEMAV-NSHDSACASA-N 1 0 281.360 1.698 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@H](O)C2CC2)c1 ZINC000898206741 621362829 /nfs/dbraw/zinc/36/28/29/621362829.db2.gz UPJUODSIGXMPJM-ZDUSSCGKSA-N 1 0 250.298 1.845 20 5 CDBDRO O=[N+]([O-])c1cccc(-c2cnc(N3CC[NH2+]CC3)cn2)c1 ZINC000899316829 622179034 /nfs/dbraw/zinc/17/90/34/622179034.db2.gz HOEKGFGKHFLKIO-UHFFFAOYSA-N 1 0 285.307 1.461 20 5 CDBDRO [NH3+]CCSc1ncnc2sc([N+](=O)[O-])cc21 ZINC000900022326 622652960 /nfs/dbraw/zinc/65/29/60/622652960.db2.gz SHPQYSOXGIEIJJ-UHFFFAOYSA-N 1 0 256.312 1.650 20 5 CDBDRO CCCC(=O)Nc1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905048137 626385406 /nfs/dbraw/zinc/38/54/06/626385406.db2.gz XFRWOKURURIHAJ-UHFFFAOYSA-N 1 0 265.313 1.792 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2C=CCC2)c1 ZINC000905417241 626805514 /nfs/dbraw/zinc/80/55/14/626805514.db2.gz KDQPIKBSOALPHM-OCCSQVGLSA-N 1 0 292.335 1.890 20 5 CDBDRO CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H](C)C1 ZINC000910296935 629006374 /nfs/dbraw/zinc/00/63/74/629006374.db2.gz SGFHXXYMFBDJSL-SNVBAGLBSA-N 1 0 281.312 1.744 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000911659829 629380101 /nfs/dbraw/zinc/38/01/01/629380101.db2.gz FHKGLIYXTDATJH-WXHSDQCUSA-N 1 0 275.308 1.258 20 5 CDBDRO O=C(Nc1ccccn1)[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929884088 631757721 /nfs/dbraw/zinc/75/77/21/631757721.db2.gz CJNXVDQYIDUQAG-NSHDSACASA-N 1 0 278.312 1.009 20 5 CDBDRO CC[C@H](CO)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000915875425 631848910 /nfs/dbraw/zinc/84/89/10/631848910.db2.gz JKSYYKXNRAUDSY-VHSXEESVSA-N 1 0 281.312 1.282 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H](O)CF)c([N+](=O)[O-])c1 ZINC001170326391 1162337305 /nfs/dbraw/zinc/33/73/05/1162337305.db2.gz IRSQNHJDAJGOJF-GXSJLCMTSA-N 1 0 286.303 1.454 20 5 CDBDRO C[C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C[C@H](C)[NH2+]1 ZINC001158180725 1162764013 /nfs/dbraw/zinc/76/40/13/1162764013.db2.gz YUZMYDSLYTUHRC-OCAPTIKFSA-N 1 0 286.719 1.068 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ncn3ccccc23)C1 ZINC001168998590 1161996806 /nfs/dbraw/zinc/99/68/06/1161996806.db2.gz OWYMDUFYFCNTGT-VXGBXAGGSA-N 1 0 274.324 1.869 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(Cc3ccco3)CC2)C1 ZINC001169029700 1161997349 /nfs/dbraw/zinc/99/73/49/1161997349.db2.gz VGSHSDMUYAWCIX-KGLIPLIRSA-N 1 0 293.367 1.843 20 5 CDBDRO CNC(=O)c1ccc(N2CC[C@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC001578562448 1171952075 /nfs/dbraw/zinc/95/20/75/1171952075.db2.gz JKJWWGVEGNKZCR-JTQLQIEISA-N 1 0 292.339 1.130 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]2[C@@H]3C[NH2+]CC[C@@H]32)cccc1[N+](=O)[O-] ZINC001579532008 1172206991 /nfs/dbraw/zinc/20/69/91/1172206991.db2.gz GMZQYORRFKTAHL-SCRDCRAPSA-N 1 0 289.335 1.375 20 5 CDBDRO Cc1ccc(CNC(=O)N2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC001579695699 1172242155 /nfs/dbraw/zinc/24/21/55/1172242155.db2.gz LDLSRTCFZZCVTG-UHFFFAOYSA-N 1 0 292.339 1.536 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1([NH3+])CC1 ZINC001579733977 1172248930 /nfs/dbraw/zinc/24/89/30/1172248930.db2.gz IBUJWRMFYRZTDL-UHFFFAOYSA-N 1 0 264.285 1.516 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC001579734007 1172250232 /nfs/dbraw/zinc/25/02/32/1172250232.db2.gz JPMOGFSNGSMSSX-NXEZZACHSA-N 1 0 278.312 1.857 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(CNC[C@@H]3CCC[NH2+]C3)nc2c1 ZINC001580875398 1172558754 /nfs/dbraw/zinc/55/87/54/1172558754.db2.gz JYWQKNHQRNNCRY-SNVBAGLBSA-N 1 0 289.339 1.560 20 5 CDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CC[NH2+]C1 ZINC000164878962 1180836034 /nfs/dbraw/zinc/83/60/34/1180836034.db2.gz AYIFYTPIPPHSIM-LLVKDONJSA-N 1 0 293.323 1.427 20 5 CDBDRO CN(CC1CC[NH2+]CC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000165966976 1181058351 /nfs/dbraw/zinc/05/83/51/1181058351.db2.gz YKEUSEBCRJWSKM-UHFFFAOYSA-N 1 0 295.314 1.806 20 5 CDBDRO CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC001754980389 1185777336 /nfs/dbraw/zinc/77/73/36/1185777336.db2.gz APIDSYKHNBKLFI-FGTRRKKMSA-N 1 0 295.383 1.636 20 5 CDBDRO CC(C)([NH3+])CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000405888963 1186579663 /nfs/dbraw/zinc/57/96/63/1186579663.db2.gz LLQUWUJMANAZPY-UHFFFAOYSA-N 1 0 269.276 1.591 20 5 CDBDRO C[C@H](CS(C)(=O)=O)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000081902555 711872841 /nfs/dbraw/zinc/87/28/41/711872841.db2.gz RTPBSYUFDALPMD-NXEZZACHSA-N 1 0 286.353 1.679 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@]1(F)CC[NH2+]C1)CC2 ZINC000843492964 711898564 /nfs/dbraw/zinc/89/85/64/711898564.db2.gz AXOYUGGYZYMZID-AWEZNQCLSA-N 1 0 293.298 1.494 20 5 CDBDRO [NH3+]C[C@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000050248237 711949103 /nfs/dbraw/zinc/94/91/03/711949103.db2.gz HGONAFKPSRVRDK-SECBINFHSA-N 1 0 253.277 1.515 20 5 CDBDRO C[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000886840125 711982636 /nfs/dbraw/zinc/98/26/36/711982636.db2.gz UDAGYMLULVZYCF-PWSUYJOCSA-N 1 0 264.329 1.407 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCOC(F)F)c1 ZINC000819294843 711995238 /nfs/dbraw/zinc/99/52/38/711995238.db2.gz JVZGFGOTDGEUPX-NSHDSACASA-N 1 0 290.266 1.847 20 5 CDBDRO COc1ccc(OCC[NH2+][C@@H]2COC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000932495694 712016290 /nfs/dbraw/zinc/01/62/90/712016290.db2.gz FUJQONVBINDSRF-CMPLNLGQSA-N 1 0 296.323 1.607 20 5 CDBDRO CC[C@@]1([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000792441534 712025455 /nfs/dbraw/zinc/02/54/55/712025455.db2.gz MSGZSWJJTIGUDG-UONOGXRCSA-N 1 0 280.324 1.787 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H]1CCC(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000851897841 712092038 /nfs/dbraw/zinc/09/20/38/712092038.db2.gz RKWFGRXFZLXNEM-SKDRFNHKSA-N 1 0 264.281 1.951 20 5 CDBDRO [NH3+][C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CCC1 ZINC000817959326 712100744 /nfs/dbraw/zinc/10/07/44/712100744.db2.gz AWCUBZQCKDBSBB-LBPRGKRZSA-N 1 0 297.742 1.992 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[NH+]1CCC2(CCOC2)CC1 ZINC000886091563 712113604 /nfs/dbraw/zinc/11/36/04/712113604.db2.gz CQXQSLPBMPCLJP-UHFFFAOYSA-N 1 0 277.324 1.992 20 5 CDBDRO CC1(C)CN(c2cc(N)ccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000800868603 712122574 /nfs/dbraw/zinc/12/25/74/712122574.db2.gz GKHLDFQSLHECSY-UHFFFAOYSA-N 1 0 294.355 1.070 20 5 CDBDRO COC[C@H](CCO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000228347722 712296207 /nfs/dbraw/zinc/29/62/07/712296207.db2.gz WTWYEDOOHOKIMC-NSHDSACASA-N 1 0 288.731 1.735 20 5 CDBDRO C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000887398845 712345493 /nfs/dbraw/zinc/34/54/93/712345493.db2.gz ILRZKRNKTYLOJA-SMDDNHRTSA-N 1 0 291.351 1.909 20 5 CDBDRO CN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1C[NH2+]C1 ZINC000090289857 712391375 /nfs/dbraw/zinc/39/13/75/712391375.db2.gz IDXDKJFRYXKSKH-UHFFFAOYSA-N 1 0 250.258 1.030 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000883152634 712397400 /nfs/dbraw/zinc/39/74/00/712397400.db2.gz BSEHZHFRTVFWCC-JTQLQIEISA-N 1 0 296.302 1.950 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)C(=O)NCCF ZINC000873123129 712403780 /nfs/dbraw/zinc/40/37/80/712403780.db2.gz ZAHUWZXMSZZJOR-NSHDSACASA-N 1 0 297.330 1.775 20 5 CDBDRO [NH3+]C[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000857763968 712472851 /nfs/dbraw/zinc/47/28/51/712472851.db2.gz CNYQMYWBBJBRAA-SECBINFHSA-N 1 0 296.302 1.937 20 5 CDBDRO Cc1c(Cn2cc([C@H](C)[NH3+])nn2)cccc1[N+](=O)[O-] ZINC000124178661 712484154 /nfs/dbraw/zinc/48/41/54/712484154.db2.gz TXVWXXDSTQHJRD-VIFPVBQESA-N 1 0 261.285 1.563 20 5 CDBDRO C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858542761 712537721 /nfs/dbraw/zinc/53/77/21/712537721.db2.gz BIKKYJFRIWWRCR-ATZCPNFKSA-N 1 0 265.313 1.599 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCN(C3CC3)C2)cc1 ZINC000126723106 712702212 /nfs/dbraw/zinc/70/22/12/712702212.db2.gz JXKRMDJQGLISRZ-DOMZBBRYSA-N 1 0 291.351 1.455 20 5 CDBDRO [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000870870368 712712034 /nfs/dbraw/zinc/71/20/34/712712034.db2.gz RIMWBPZXUBVJEU-TXEJJXNPSA-N 1 0 277.324 1.729 20 5 CDBDRO CC(C)[C@H]([NH3+])c1noc(CCn2cc([N+](=O)[O-])cn2)n1 ZINC000843149277 712738361 /nfs/dbraw/zinc/73/83/61/712738361.db2.gz LQGDFBYNVIKNPV-JTQLQIEISA-N 1 0 280.288 1.073 20 5 CDBDRO C[C@H](O)[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000780357589 712743878 /nfs/dbraw/zinc/74/38/78/712743878.db2.gz CTTLSFWFMUFDAI-ZKYQVNSYSA-N 1 0 280.324 1.331 20 5 CDBDRO COCC[C@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000230236874 712756583 /nfs/dbraw/zinc/75/65/83/712756583.db2.gz MRBUAEVXGMLNSP-AWEZNQCLSA-N 1 0 282.340 1.780 20 5 CDBDRO C[C@H]([NH3+])c1cn(Cc2csc([N+](=O)[O-])c2)nn1 ZINC000881226494 712761250 /nfs/dbraw/zinc/76/12/50/712761250.db2.gz ZXYNKGLQOUEVQJ-LURJTMIESA-N 1 0 253.287 1.316 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(CO)(CO)CC1 ZINC000877797633 1166103529 /nfs/dbraw/zinc/10/35/29/1166103529.db2.gz MYTSBHKGWBOLDH-UHFFFAOYSA-N 1 0 280.324 1.162 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC(=O)N(C)C ZINC001173215104 912298443 /nfs/dbraw/zinc/29/84/43/912298443.db2.gz SDTOCJHMOUVLMR-LLVKDONJSA-N 1 0 279.340 1.594 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)C(N)=O ZINC001173233535 912328635 /nfs/dbraw/zinc/32/86/35/912328635.db2.gz JLADSCYTQFGOTL-VIFPVBQESA-N 1 0 265.313 1.379 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(C(N)=O)CCCC1 ZINC001173214240 912337144 /nfs/dbraw/zinc/33/71/44/912337144.db2.gz NSCGQRNRMOYXOB-LLVKDONJSA-N 1 0 291.351 1.914 20 5 CDBDRO O=[N+]([O-])c1cnn(CN2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000172956830 912425222 /nfs/dbraw/zinc/42/52/22/912425222.db2.gz QVNFIGQFMDWTFS-CYBMUJFWSA-N 1 0 293.371 1.557 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000307896694 895684129 /nfs/dbraw/zinc/68/41/29/895684129.db2.gz MFUSGINIHBJRMM-NSHDSACASA-N 1 0 281.287 1.604 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC([NH3+])CC1 ZINC000051692770 896855758 /nfs/dbraw/zinc/85/57/58/896855758.db2.gz AULFLPAZBXBYKB-UHFFFAOYSA-N 1 0 277.324 1.903 20 5 CDBDRO CC[C@@H](CCO)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158664474 896945969 /nfs/dbraw/zinc/94/59/69/896945969.db2.gz NJLQZZVTZBVQOR-SMDDNHRTSA-N 1 0 282.340 1.626 20 5 CDBDRO CC[NH+]1CCC(CCNc2c([N+](=O)[O-])cnn2C)CC1 ZINC000892678969 898726526 /nfs/dbraw/zinc/72/65/26/898726526.db2.gz KEMBGQLRRHKRLP-UHFFFAOYSA-N 1 0 281.360 1.862 20 5 CDBDRO CC[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000843218980 921281524 /nfs/dbraw/zinc/28/15/24/921281524.db2.gz NTTGBJSQNDYKMK-UHFFFAOYSA-N 1 0 254.271 1.816 20 5 CDBDRO COC(=O)c1cc(NC2(C)CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC001168187778 907770947 /nfs/dbraw/zinc/77/09/47/907770947.db2.gz GPKHTBABMBDGOE-UHFFFAOYSA-N 1 0 293.323 1.935 20 5 CDBDRO [NH3+]C[C@H]1COc2ccccc2N1c1ncc([N+](=O)[O-])cn1 ZINC001171390579 909578467 /nfs/dbraw/zinc/57/84/67/909578467.db2.gz XCDAKJIWAOWDAE-VIFPVBQESA-N 1 0 287.279 1.243 20 5 CDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000128571603 909720331 /nfs/dbraw/zinc/72/03/31/909720331.db2.gz CVKNLZGNRGIONQ-VXGBXAGGSA-N 1 0 268.288 1.983 20 5 CDBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1F)C1CC[NH+](C)CC1 ZINC000037285978 910661710 /nfs/dbraw/zinc/66/17/10/910661710.db2.gz SLLFWNMODNHKBU-UHFFFAOYSA-N 1 0 295.314 1.900 20 5 CDBDRO CCC1(Nc2cccc3ncc([N+](=O)[O-])n32)C[NH2+]C1 ZINC001168587356 919335943 /nfs/dbraw/zinc/33/59/43/919335943.db2.gz SDELHSFXPQPMMC-UHFFFAOYSA-N 1 0 261.285 1.406 20 5 CDBDRO CCC1(Nc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[NH2+]C1 ZINC001168587844 919338232 /nfs/dbraw/zinc/33/82/32/919338232.db2.gz XLZLRCWOINQGQW-UHFFFAOYSA-N 1 0 279.296 1.545 20 5 CDBDRO Nc1ccnc(N[C@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001162395065 922491973 /nfs/dbraw/zinc/49/19/73/922491973.db2.gz BRPNOIZFVGGREL-SFYZADRCSA-N 1 0 251.290 1.254 20 5 CDBDRO COc1cc(C)c([N+](=O)[O-])cc1-n1nccc1C[NH3+] ZINC001162593217 922795057 /nfs/dbraw/zinc/79/50/57/922795057.db2.gz CJITYZHCUNCIQW-UHFFFAOYSA-N 1 0 262.269 1.556 20 5 CDBDRO C[NH+](C)CC1(O)CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000710570655 923243466 /nfs/dbraw/zinc/24/34/66/923243466.db2.gz MKYIWDTULADYBR-UHFFFAOYSA-N 1 0 285.369 1.549 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001118140223 923581338 /nfs/dbraw/zinc/58/13/38/923581338.db2.gz CLTMCAXSBVOWKQ-UWVGGRQHSA-N 1 0 292.339 1.459 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923346547 923766926 /nfs/dbraw/zinc/76/69/26/923766926.db2.gz SGASGRCTCSSLNP-WDMOLILDSA-N 1 0 279.340 1.310 20 5 CDBDRO C[C@@]1(c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)CC[NH2+]C1 ZINC000843169437 937117818 /nfs/dbraw/zinc/11/78/18/937117818.db2.gz ILLAEQYAEWVMMQ-CYBMUJFWSA-N 1 0 289.295 1.478 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N(CC[NH3+])c1cccnc1 ZINC001168831507 927478314 /nfs/dbraw/zinc/47/83/14/927478314.db2.gz HLOHHPMTDBGZCN-UHFFFAOYSA-N 1 0 289.295 1.490 20 5 CDBDRO [NH3+]Cc1ccc2ncn(-c3cccnc3[N+](=O)[O-])c2c1 ZINC001168843709 927487364 /nfs/dbraw/zinc/48/73/64/927487364.db2.gz DGNWXTJIDZPGNC-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO [NH3+][C@@H]1CCN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])C1 ZINC001156229351 927501255 /nfs/dbraw/zinc/50/12/55/927501255.db2.gz ZGTGCZLDDWQIOR-SCSAIBSYSA-N 1 0 278.099 1.229 20 5 CDBDRO CC1(C)C[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCO1 ZINC001168977463 927563038 /nfs/dbraw/zinc/56/30/38/927563038.db2.gz KAAWXCFPFLPOMS-IJLUTSLNSA-N 1 0 256.346 1.979 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2ncccn2)C1 ZINC001168982770 927571560 /nfs/dbraw/zinc/57/15/60/927571560.db2.gz IYTNOHGRUVAYQM-MNOVXSKESA-N 1 0 250.302 1.054 20 5 CDBDRO O=C(CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)NCc1ccco1 ZINC001168968359 927591265 /nfs/dbraw/zinc/59/12/65/927591265.db2.gz XZGSXQKBDJUFDS-RYUDHWBXSA-N 1 0 295.339 1.321 20 5 CDBDRO CCCCN(C)CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968454 927591858 /nfs/dbraw/zinc/59/18/58/927591858.db2.gz ZFOZCPISLYGHMI-OLZOCXBDSA-N 1 0 257.378 1.753 20 5 CDBDRO NC(=[NH2+])N(c1ccccc1F)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168973886 927596191 /nfs/dbraw/zinc/59/61/91/927596191.db2.gz PIFBDEXHMPNNDL-NXEZZACHSA-N 1 0 280.303 1.971 20 5 CDBDRO COCCN1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168992478 927600641 /nfs/dbraw/zinc/60/06/41/927600641.db2.gz JYQYGTFIZGLBKN-GXTWGEPZSA-N 1 0 285.388 1.132 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2(O)CCCCC2)C1 ZINC001169001002 927606162 /nfs/dbraw/zinc/60/61/62/927606162.db2.gz CDUNCDVXWDHPRG-RYUDHWBXSA-N 1 0 256.346 1.717 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCOc2ccncc2)C1 ZINC001169004588 927607821 /nfs/dbraw/zinc/60/78/21/927607821.db2.gz RFSJIMLZOHPONH-NWDGAFQWSA-N 1 0 265.313 1.495 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3nccnc32)C1 ZINC001168990007 927629339 /nfs/dbraw/zinc/62/93/39/927629339.db2.gz ALYUBDYGKTXLBN-NTZNESFSSA-N 1 0 276.340 1.889 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CC(N3CCC(F)CC3)C2)C1 ZINC001169034138 927640614 /nfs/dbraw/zinc/64/06/14/927640614.db2.gz FNHVNNPTTIMSLT-AAEUAGOBSA-N 1 0 285.363 1.550 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(CC(F)(F)F)CC2)C1 ZINC001169033840 927641926 /nfs/dbraw/zinc/64/19/26/927641926.db2.gz DJGPIZLMISIIPD-GHMZBOCLSA-N 1 0 295.305 1.612 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCc3cccnc3C2)C1 ZINC001169036133 927643620 /nfs/dbraw/zinc/64/36/20/927643620.db2.gz FMCPCMIGELUMDY-DGCLKSJQSA-N 1 0 261.325 1.885 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(c3ccncn3)CC2)C1 ZINC001169035560 927645113 /nfs/dbraw/zinc/64/51/13/927645113.db2.gz CCEQXWSRTJCSIV-OLZOCXBDSA-N 1 0 291.355 1.044 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CC3(C2)C[C@@H](F)CS3)C1 ZINC001169038854 927650680 /nfs/dbraw/zinc/65/06/80/927650680.db2.gz LAJQNONPDSRIGO-GMTAPVOTSA-N 1 0 274.361 1.961 20 5 CDBDRO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169025868 927667310 /nfs/dbraw/zinc/66/73/10/927667310.db2.gz ZNZDCFASTFRLGW-IPYPFGDCSA-N 1 0 295.383 1.519 20 5 CDBDRO CC[NH+](CC)C[C@@H]1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCO1 ZINC001169052471 927668722 /nfs/dbraw/zinc/66/87/22/927668722.db2.gz GEUQKXNBLCNODM-RBSFLKMASA-N 1 0 299.415 1.474 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CC[C@@H](Oc3cccnc3)C2)C1 ZINC001169053907 927671315 /nfs/dbraw/zinc/67/13/15/927671315.db2.gz KFKKIJZEFJABLK-KCQAQPDRSA-N 1 0 291.351 1.980 20 5 CDBDRO COC(C)(C)C[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586800 927770618 /nfs/dbraw/zinc/77/06/18/927770618.db2.gz PYTMENYZLBVBHJ-CYBMUJFWSA-N 1 0 282.340 1.985 20 5 CDBDRO C[C@H]([NH3+])c1ccn(-c2cnc(F)c([N+](=O)[O-])c2)n1 ZINC001169235404 927816556 /nfs/dbraw/zinc/81/65/56/927816556.db2.gz VTCGGVPQOQTWNC-LURJTMIESA-N 1 0 251.221 1.334 20 5 CDBDRO C[C@H]([NH3+])c1ccn(-c2ncc3cccc([N+](=O)[O-])c3n2)n1 ZINC001169231715 927843100 /nfs/dbraw/zinc/84/31/00/927843100.db2.gz QKHGNGBXORDOHK-QMMMGPOBSA-N 1 0 284.279 1.743 20 5 CDBDRO [NH3+][C@H]1C[C@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000852853609 927895051 /nfs/dbraw/zinc/89/50/51/927895051.db2.gz KOTIYGGIZPPDHT-XWEPSHTISA-N 1 0 283.715 1.602 20 5 CDBDRO [NH3+]Cc1cnnn1-c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001169309905 927947275 /nfs/dbraw/zinc/94/72/75/927947275.db2.gz OZCHPFFCWQMWLX-UHFFFAOYSA-N 1 0 287.201 1.653 20 5 CDBDRO C[C@H]([NH2+]CCOCCF)c1ccc(N)c([N+](=O)[O-])c1 ZINC000853238892 927990804 /nfs/dbraw/zinc/99/08/04/927990804.db2.gz VBUJTAXEXRUQOA-VIFPVBQESA-N 1 0 271.292 1.814 20 5 CDBDRO COC[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788822024 929601702 /nfs/dbraw/zinc/60/17/02/929601702.db2.gz HXJHEMWVSVMUKX-IUCAKERBSA-N 1 0 253.302 1.863 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000882492171 930020094 /nfs/dbraw/zinc/02/00/94/930020094.db2.gz PWJXUVQWIBOKJM-BXUZGUMPSA-N 1 0 291.351 1.909 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC001170862625 930499967 /nfs/dbraw/zinc/49/99/67/930499967.db2.gz JOGGSQRECAQXET-ZDUSSCGKSA-N 1 0 276.296 1.612 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](C)[NH3+])c1C ZINC000884296290 930514041 /nfs/dbraw/zinc/51/40/41/930514041.db2.gz TYCROGSCJVZTIB-NXEZZACHSA-N 1 0 265.313 1.677 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCSC2)c1 ZINC000819274248 930785158 /nfs/dbraw/zinc/78/51/58/930785158.db2.gz XJPXOWWUEKWEPH-ZWNOBZJWSA-N 1 0 282.365 1.971 20 5 CDBDRO CCO[C@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819359046 930794861 /nfs/dbraw/zinc/79/48/61/930794861.db2.gz CLPPHGZPWHHDBZ-KWCYVHTRSA-N 1 0 280.324 1.785 20 5 CDBDRO CC[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)OC ZINC000819321405 930796901 /nfs/dbraw/zinc/79/69/01/930796901.db2.gz GWBHAKQOTACNAC-QWHCGFSZSA-N 1 0 268.313 1.643 20 5 CDBDRO CC(C)(NCc1cccnc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000886183359 930821412 /nfs/dbraw/zinc/82/14/12/930821412.db2.gz BWNBETNDXAPXRA-UHFFFAOYSA-N 1 0 292.339 1.480 20 5 CDBDRO CCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000110939466 930967981 /nfs/dbraw/zinc/96/79/81/930967981.db2.gz OBLUFQJXLKSTFU-LLVKDONJSA-N 1 0 295.314 1.948 20 5 CDBDRO C[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C[NH+]1CCCC1 ZINC000822614503 931179176 /nfs/dbraw/zinc/17/91/76/931179176.db2.gz WFWLZZPAFJSZBI-LBPRGKRZSA-N 1 0 285.388 1.670 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc([C@H]3C[NH2+]CCO3)n2)s1 ZINC000823069143 931249299 /nfs/dbraw/zinc/24/92/99/931249299.db2.gz GTDYOBVZNAFFJV-ZCFIWIBFSA-N 1 0 282.281 1.367 20 5 CDBDRO O=C(CC1CC1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001154111478 937504838 /nfs/dbraw/zinc/50/48/38/937504838.db2.gz CCVUIONQOHJRFI-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1NCC(C)(C)[NH3+] ZINC001171196028 931873274 /nfs/dbraw/zinc/87/32/74/931873274.db2.gz OSXKQDWSCVRFLV-UHFFFAOYSA-N 1 0 282.300 1.234 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C)C[C@H](C)[NH3+])c1F ZINC001246980505 932582766 /nfs/dbraw/zinc/58/27/66/932582766.db2.gz IWJQNDAPUGDRFK-VHSXEESVSA-N 1 0 299.346 1.953 20 5 CDBDRO COC(=O)c1ccnc(NC[C@H]2C[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC001155101784 937634980 /nfs/dbraw/zinc/63/49/80/937634980.db2.gz JUBXDEBIERJZAO-RKDXNWHRSA-N 1 0 294.311 1.186 20 5 CDBDRO Cc1nc(NC[C@H]2C[NH2+][C@H](C)C2)ncc1[N+](=O)[O-] ZINC001155102562 937635711 /nfs/dbraw/zinc/63/57/11/937635711.db2.gz XUHNINUROQMFAI-VXNVDRBHSA-N 1 0 251.290 1.103 20 5 CDBDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1ccc(N)c([N+](=O)[O-])n1 ZINC001118524147 937636422 /nfs/dbraw/zinc/63/64/22/937636422.db2.gz CGMHWEAPYDERAF-MNOVXSKESA-N 1 0 279.344 1.857 20 5 CDBDRO Cc1ccc([C@@H](C)N[C@@H]2C[NH2+]CCOC2)cc1[N+](=O)[O-] ZINC000925578066 932909518 /nfs/dbraw/zinc/90/95/18/932909518.db2.gz ZLNWIUNWCDBZIP-DGCLKSJQSA-N 1 0 279.340 1.542 20 5 CDBDRO C[C@@H]1COC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925642135 932920202 /nfs/dbraw/zinc/92/02/02/932920202.db2.gz QKSHXHVIHHRFIO-MFKMUULPSA-N 1 0 250.298 1.762 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C1(c2ccccc2)CCOCC1 ZINC000929980053 933293888 /nfs/dbraw/zinc/29/38/88/933293888.db2.gz RMOVVWSSKYDOOU-UHFFFAOYSA-N 1 0 250.298 1.559 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)cccc1[N+](=O)[O-] ZINC001119005570 937686824 /nfs/dbraw/zinc/68/68/24/937686824.db2.gz LQLJNNPIYQBVLM-GMXVVIOVSA-N 1 0 275.308 1.127 20 5 CDBDRO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](CC[N+](=O)[O-])[C@H]1C ZINC000934166729 933905328 /nfs/dbraw/zinc/90/53/28/933905328.db2.gz XKSRKBHFJOOLOE-NOOOWODRSA-N 1 0 272.345 1.561 20 5 CDBDRO O=C(NCC[NH+]1CCC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935045034 934018903 /nfs/dbraw/zinc/01/89/03/934018903.db2.gz DQMRMUPQEYCCAR-UONOGXRCSA-N 1 0 289.335 1.520 20 5 CDBDRO COCC[NH2+]CC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001122166873 937910047 /nfs/dbraw/zinc/91/00/47/937910047.db2.gz OUAZMXDWDDUGPD-SNVBAGLBSA-N 1 0 281.312 1.008 20 5 CDBDRO Cc1cc(NC(=O)[C@H]2CSCN2)cc([N+](=O)[O-])c1 ZINC001122511293 937938628 /nfs/dbraw/zinc/93/86/28/937938628.db2.gz LJUKUAVQZYYSDF-SNVBAGLBSA-N 1 0 267.310 1.504 20 5 CDBDRO Cc1ccnc(N(C)C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001156172190 938327794 /nfs/dbraw/zinc/32/77/94/938327794.db2.gz LKZVZTSOJQBVKV-UHFFFAOYSA-N 1 0 250.302 1.486 20 5 CDBDRO [NH3+]CCc1nccn1-c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001156478378 938372749 /nfs/dbraw/zinc/37/27/49/938372749.db2.gz HTSLDXZYFGZCOK-UHFFFAOYSA-N 1 0 284.279 1.225 20 5 CDBDRO [NH3+]Cc1cccn1-c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001156723957 938411044 /nfs/dbraw/zinc/41/10/44/938411044.db2.gz POHWKUZQCXIUDQ-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001157259876 938470438 /nfs/dbraw/zinc/47/04/38/938470438.db2.gz GQOAMDGACZCCCQ-WCQYABFASA-N 1 0 276.340 1.829 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001157270877 938473540 /nfs/dbraw/zinc/47/35/40/938473540.db2.gz GMGTXMJVSDVRJC-WCQYABFASA-N 1 0 292.339 1.067 20 5 CDBDRO CC1(C)C[C@@H](CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)O1 ZINC001157664317 938529635 /nfs/dbraw/zinc/52/96/35/938529635.db2.gz QTHMHESISMOQTE-VIFPVBQESA-N 1 0 293.327 1.051 20 5 CDBDRO Cc1c(C)c(N2C[C@@H](C)[NH2+][C@H](C)C2)ncc1[N+](=O)[O-] ZINC001158180615 938591934 /nfs/dbraw/zinc/59/19/34/938591934.db2.gz XSGHPPIFXAFVRK-RKDXNWHRSA-N 1 0 264.329 1.793 20 5 CDBDRO [NH3+]Cc1cnnn1-c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001158428424 938623677 /nfs/dbraw/zinc/62/36/77/938623677.db2.gz XFALUMWMAHJYKF-UHFFFAOYSA-N 1 0 297.278 1.091 20 5 CDBDRO COc1cc(N2CC[N@H+](C(C)C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC001158494628 938630002 /nfs/dbraw/zinc/63/00/02/938630002.db2.gz MYPQNDSSHKWNMP-NSHDSACASA-N 1 0 294.355 1.917 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NCC[C@H]1CCC[NH2+]1 ZINC001158628800 938643481 /nfs/dbraw/zinc/64/34/81/938643481.db2.gz NXOAIURHINCJJW-SECBINFHSA-N 1 0 294.311 1.330 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H]([NH3+])C3(COC3)C2)n1 ZINC001158761764 938660955 /nfs/dbraw/zinc/66/09/55/938660955.db2.gz FJBSEOFPUVTIMX-VIFPVBQESA-N 1 0 298.730 1.116 20 5 CDBDRO CN(CC[NH3+])CCNc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001159439545 938728013 /nfs/dbraw/zinc/72/80/13/938728013.db2.gz TWCHXNFXGZBICN-UHFFFAOYSA-N 1 0 289.339 1.445 20 5 CDBDRO Cc1c(C)c(NCCN2CCC([NH3+])CC2)ncc1[N+](=O)[O-] ZINC001161867957 938937454 /nfs/dbraw/zinc/93/74/54/938937454.db2.gz YILHEIOTYZKNIB-UHFFFAOYSA-N 1 0 293.371 1.442 20 5 CDBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC001162456688 939059562 /nfs/dbraw/zinc/05/95/62/939059562.db2.gz YMNMERCSRUUNCJ-ZJUUUORDSA-N 1 0 265.317 1.432 20 5 CDBDRO C[C@@H]1C[C@@H](CNc2ncc3cccc([N+](=O)[O-])c3n2)C[NH2+]1 ZINC001162558155 939087523 /nfs/dbraw/zinc/08/75/23/939087523.db2.gz RPBLMSGGVAHZTR-NXEZZACHSA-N 1 0 287.323 1.948 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001162579690 939092308 /nfs/dbraw/zinc/09/23/08/939092308.db2.gz HGXISYIUJIKGOO-CYBMUJFWSA-N 1 0 298.318 1.892 20 5 CDBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1nn(C)cc1[N+](=O)[O-] ZINC001162631384 939105924 /nfs/dbraw/zinc/10/59/24/939105924.db2.gz GCODBBFQNCWSEA-LLVKDONJSA-N 1 0 281.360 1.639 20 5 CDBDRO [NH3+][C@H]1Cc2ccccc2N(c2c[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001162847955 939152059 /nfs/dbraw/zinc/15/20/59/939152059.db2.gz BKNIGQHWDRWIHL-NSHDSACASA-N 1 0 286.291 1.250 20 5 CDBDRO Cc1c(N[C@H]2COCCC23C[NH2+]C3)cc(F)cc1[N+](=O)[O-] ZINC001163073328 939191291 /nfs/dbraw/zinc/19/12/91/939191291.db2.gz NMLMBAHPJCPTOQ-ZDUSSCGKSA-N 1 0 295.314 1.833 20 5 CDBDRO COc1cccc(N[C@@H]2COCCC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001163074441 939191313 /nfs/dbraw/zinc/19/13/13/939191313.db2.gz WPKLPCHPVFRBPO-GFCCVEGCSA-N 1 0 293.323 1.394 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001163153221 939215069 /nfs/dbraw/zinc/21/50/69/939215069.db2.gz KGQDSIVNTOWPEE-FZMZJTMJSA-N 1 0 277.324 1.551 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N[C@H]1C[NH+]2CCC1CC2 ZINC001163381192 939259416 /nfs/dbraw/zinc/25/94/16/939259416.db2.gz MSANXEHHWAOZAJ-NSHDSACASA-N 1 0 278.312 1.505 20 5 CDBDRO COc1cnc(N[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001163385598 939259998 /nfs/dbraw/zinc/25/99/98/939259998.db2.gz DNIVVRLNUYPPQW-JTQLQIEISA-N 1 0 278.312 1.505 20 5 CDBDRO CSc1nc(Cl)nc(N(C)CC[NH3+])c1[N+](=O)[O-] ZINC001163688046 939308577 /nfs/dbraw/zinc/30/85/77/939308577.db2.gz JKXRFSMIMWFDRV-UHFFFAOYSA-N 1 0 277.737 1.155 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N(CCC[NH3+])C(C)C ZINC001164128655 939415526 /nfs/dbraw/zinc/41/55/26/939415526.db2.gz AWSVKVDWECHNND-UHFFFAOYSA-N 1 0 296.327 1.340 20 5 CDBDRO C[C@@]1(C[NH3+])CCCN(c2cc([N+](=O)[O-])ccn2)CC1 ZINC001164242435 939439368 /nfs/dbraw/zinc/43/93/68/939439368.db2.gz KWPVSDFIKACQJH-CYBMUJFWSA-N 1 0 264.329 1.945 20 5 CDBDRO COc1cc(N2C[C@@H](C[NH3+])CC[C@@H]2C)ncc1[N+](=O)[O-] ZINC001164462869 939475879 /nfs/dbraw/zinc/47/58/79/939475879.db2.gz VIPYASCRQFFNDN-VHSXEESVSA-N 1 0 280.328 1.562 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]1C[NH+](C)C ZINC001165073388 939506673 /nfs/dbraw/zinc/50/66/73/939506673.db2.gz XTNCHGXWZWMLAI-LLVKDONJSA-N 1 0 264.329 1.829 20 5 CDBDRO C[NH+](C)C1(C)CN(c2nc(Cl)ncc2[N+](=O)[O-])C1 ZINC001165116452 939512058 /nfs/dbraw/zinc/51/20/58/939512058.db2.gz BJNAKGUFJIJXOE-UHFFFAOYSA-N 1 0 271.708 1.179 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2C[C@]2(C[NH+](C)C)C1 ZINC001165182905 939521212 /nfs/dbraw/zinc/52/12/12/939521212.db2.gz XYKFAWXDLGUFIF-FZMZJTMJSA-N 1 0 276.340 1.686 20 5 CDBDRO [NH3+][C@]12C[C@H]1CN(c1ncc([N+](=O)[O-])cc1Cl)C2 ZINC001165315722 939544826 /nfs/dbraw/zinc/54/48/26/939544826.db2.gz XHKSWPHBUDCAPO-WKEGUHRASA-N 1 0 254.677 1.181 20 5 CDBDRO Cc1nc(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)ncc1[N+](=O)[O-] ZINC001165432011 939564352 /nfs/dbraw/zinc/56/43/52/939564352.db2.gz FAHBSMJEDXKRDE-VHSXEESVSA-N 1 0 295.318 1.206 20 5 CDBDRO [NH3+]C1([C@H]2CN(c3ncc(F)cc3[N+](=O)[O-])C[C@H]2CF)CC1 ZINC001165434050 939564886 /nfs/dbraw/zinc/56/48/86/939564886.db2.gz YDYXTKIYBLGAQU-SCZZXKLOSA-N 1 0 298.293 1.642 20 5 CDBDRO [NH3+]CCc1nccn1-c1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001166277949 939603016 /nfs/dbraw/zinc/60/30/16/939603016.db2.gz XQPRBISJRFZRJS-UHFFFAOYSA-N 1 0 272.268 1.158 20 5 CDBDRO Cc1ccnc(N2CC[C@@H]([NH3+])C(F)(F)C2)c1[N+](=O)[O-] ZINC001166960317 939661127 /nfs/dbraw/zinc/66/11/27/939661127.db2.gz HOUQEWHOOIJTRY-MRVPVSSYSA-N 1 0 272.255 1.471 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[NH+]3CCC2CC3)n1 ZINC000162592307 939715402 /nfs/dbraw/zinc/71/54/02/939715402.db2.gz XZURCHCTEBEUAQ-NSHDSACASA-N 1 0 262.313 1.804 20 5 CDBDRO COC(=O)c1cc(OC)c(O[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC001218177037 941042186 /nfs/dbraw/zinc/04/21/86/941042186.db2.gz NFRRZEUMNIKYMZ-QMMMGPOBSA-N 1 0 296.279 1.131 20 5 CDBDRO Nc1ccc2n(C(=O)[C@@H]3CC[NH2+]3)c3ccccc3cc-2c1=O ZINC001219254403 941323451 /nfs/dbraw/zinc/32/34/51/941323451.db2.gz ZSBCJDYCUAYDQX-ZDUSSCGKSA-N 1 0 293.326 1.691 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCc1nc(-c2nccs2)no1 ZINC001222797981 941634814 /nfs/dbraw/zinc/63/48/14/941634814.db2.gz ZMMHVRRFSLFMHN-VIFPVBQESA-N 1 0 283.377 1.804 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001225386098 941851678 /nfs/dbraw/zinc/85/16/78/941851678.db2.gz XGNAMBYCKJAROK-LLVKDONJSA-N 1 0 284.287 1.833 20 5 CDBDRO C[N@@H+]1CCC[C@@H](Oc2ncccc2[N+](=O)[O-])CC1 ZINC001225591981 941885538 /nfs/dbraw/zinc/88/55/38/941885538.db2.gz AEDVZQOZKOAHBC-SNVBAGLBSA-N 1 0 251.286 1.853 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])cn2)C1 ZINC001225634314 941892562 /nfs/dbraw/zinc/89/25/62/941892562.db2.gz URNAFWYBRZYPMU-NSHDSACASA-N 1 0 251.286 1.851 20 5 CDBDRO COC(=O)c1ccc2[nH]c(O[C@H](C)C[N+](C)(C)C)nc2c1 ZINC001226261598 941977541 /nfs/dbraw/zinc/97/75/41/941977541.db2.gz UHOQOGCRGBPWMD-SNVBAGLBSA-O 1 0 292.359 1.823 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1O[C@H]1CCC[N@@H+](C)C1 ZINC001226760562 942064629 /nfs/dbraw/zinc/06/46/29/942064629.db2.gz BNVXCSGPRTVKKM-NSHDSACASA-N 1 0 251.286 1.771 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2nc(Cl)nc(C)c2[N+](=O)[O-])C1 ZINC001227334580 942166558 /nfs/dbraw/zinc/16/65/58/942166558.db2.gz LMXBBZPCARVVRR-QMMMGPOBSA-N 1 0 286.719 1.820 20 5 CDBDRO CC(=O)Nc1cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001227419493 942174164 /nfs/dbraw/zinc/17/41/64/942174164.db2.gz QBVNBWPEBKFXMY-CYBMUJFWSA-O 1 0 295.359 1.008 20 5 CDBDRO COc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc1F ZINC001228981814 942403106 /nfs/dbraw/zinc/40/31/06/942403106.db2.gz GDGZOEZMFQQCJY-SNVBAGLBSA-N 1 0 286.323 1.197 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(c1)CNC(=O)C2 ZINC001229636558 942502827 /nfs/dbraw/zinc/50/28/27/942502827.db2.gz PNOHYJUKKGVYJO-LLVKDONJSA-O 1 0 263.361 1.332 20 5 CDBDRO C[C@H](Nc1cccc(F)c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001262705731 943676555 /nfs/dbraw/zinc/67/65/55/943676555.db2.gz QYFUJPZPVZTXDV-GWCFXTLKSA-N 1 0 296.346 1.780 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NC1CCC1 ZINC001254547486 947517679 /nfs/dbraw/zinc/51/76/79/947517679.db2.gz ITZAJALAHRDIKF-LLVKDONJSA-N 1 0 291.351 1.784 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC1OCCO1 ZINC001254539962 947518584 /nfs/dbraw/zinc/51/85/84/947518584.db2.gz NFXVAXLULFBRHT-NSHDSACASA-N 1 0 280.324 1.878 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](O)[C@H](F)C1 ZINC001254553809 947524792 /nfs/dbraw/zinc/52/47/92/947524792.db2.gz ZNXCCRDDBDUNNF-ZKYQVNSYSA-N 1 0 282.315 1.931 20 5 CDBDRO CC(C)[C@@H](CO)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254567526 947527384 /nfs/dbraw/zinc/52/73/84/947527384.db2.gz PAHLYXQLYDZTCW-TZMCWYRMSA-N 1 0 264.325 1.669 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccon1)C2 ZINC001254572338 947533039 /nfs/dbraw/zinc/53/30/39/947533039.db2.gz LDYQMHULBQPBHI-GFCCVEGCSA-N 1 0 259.265 1.840 20 5 CDBDRO O=C1CC[C@H](C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CN1 ZINC001254574720 947533839 /nfs/dbraw/zinc/53/38/39/947533839.db2.gz KNIYNXYBSWDTQR-ZWNOBZJWSA-N 1 0 289.335 1.178 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@@H](O)c1cccnc1)C2 ZINC001254579372 947537274 /nfs/dbraw/zinc/53/72/74/947537274.db2.gz QRFNMXAPFBGVAN-GDBMZVCRSA-N 1 0 299.330 1.780 20 5 CDBDRO CN1C[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1=O ZINC001254583743 947539982 /nfs/dbraw/zinc/53/99/82/947539982.db2.gz NYARYAZGRMYDPX-CHWSQXEVSA-N 1 0 289.335 1.272 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H](CO)[C@H]1CCOC1)C2 ZINC001254582419 947540106 /nfs/dbraw/zinc/54/01/06/947540106.db2.gz UENBFQMIZYQPBX-NJZAAPMLSA-N 1 0 292.335 1.049 20 5 CDBDRO C[C@@H]1CN(C)CC[C@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601079 947549061 /nfs/dbraw/zinc/54/90/61/947549061.db2.gz YPIPJHFHVRMTLN-DIOULYMOSA-N 1 0 289.379 1.992 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@H](CO)C1)C2 ZINC001254599482 947551286 /nfs/dbraw/zinc/55/12/86/947551286.db2.gz MDFOAGWGJQMGRG-IINYFYTJSA-N 1 0 262.309 1.376 20 5 CDBDRO C[N@H+](Cc1ccncn1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605703 947553279 /nfs/dbraw/zinc/55/32/79/947553279.db2.gz CTCWWMNHEJZHKE-HNNXBMFYSA-N 1 0 284.319 1.984 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@H]1CC13C[NH2+]C3)C2 ZINC001246448645 948179511 /nfs/dbraw/zinc/17/95/11/948179511.db2.gz ZOFQGTDKFJNFHZ-YPMHNXCESA-N 1 0 259.309 1.014 20 5 CDBDRO N[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1(F)F ZINC001246603434 948337890 /nfs/dbraw/zinc/33/78/90/948337890.db2.gz YLJFOWHDSBKELK-OPRDCNLKSA-N 1 0 263.288 1.100 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246857045 948483042 /nfs/dbraw/zinc/48/30/42/948483042.db2.gz ZIRPLBGRLUBDOD-OSAQELSMSA-N 1 0 275.352 1.949 20 5 CDBDRO C[NH2+]C[C@@H](C)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001325318315 953833696 /nfs/dbraw/zinc/83/36/96/953833696.db2.gz DNUPKGXLKMIWNA-SNVBAGLBSA-N 1 0 295.339 1.311 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327486526 954901926 /nfs/dbraw/zinc/90/19/26/954901926.db2.gz MXHHCBUTIYMEBP-LBPRGKRZSA-N 1 0 290.323 1.372 20 5 CDBDRO Cn1cc([N+](=O)[O-])c(NCC2CC[NH+](C3CC3)CC2)n1 ZINC001307110980 956363777 /nfs/dbraw/zinc/36/37/77/956363777.db2.gz XMANTOOQCPNVAS-UHFFFAOYSA-N 1 0 279.344 1.615 20 5 CDBDRO Cc1ccc(CN[C@@H](C)c2nnnn2C)cc1[N+](=O)[O-] ZINC001308136387 956474922 /nfs/dbraw/zinc/47/49/22/956474922.db2.gz VDWJDXPLHBTZFR-VIFPVBQESA-N 1 0 276.300 1.278 20 5 CDBDRO Cc1n[nH]cc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC001308390054 956523254 /nfs/dbraw/zinc/52/32/54/956523254.db2.gz KTRMXMMDOCTPHI-UHFFFAOYSA-N 1 0 260.297 1.959 20 5 CDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC[NH+]1CC=CC1 ZINC001318954172 958319929 /nfs/dbraw/zinc/31/99/29/958319929.db2.gz WVVARUBFIOAUAH-YVMONPNESA-N 1 0 287.319 1.596 20 5 CDBDRO C[C@H](NC(=O)N[C@@]1(C)CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001336709963 960489899 /nfs/dbraw/zinc/48/98/99/960489899.db2.gz LCLAOUPVBAUQRK-HZMBPMFUSA-N 1 0 292.339 1.707 20 5 CDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2CC=CC2)cc1 ZINC001336727942 960511419 /nfs/dbraw/zinc/51/14/19/960511419.db2.gz LKEVNUCCZGBRGO-UHFFFAOYSA-N 1 0 296.348 1.677 20 5 CDBDRO C[C@@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC001337788141 961420698 /nfs/dbraw/zinc/42/06/98/961420698.db2.gz MQMBRUJAAAULMS-RKDXNWHRSA-N 1 0 265.317 1.467 20 5 CDBDRO C[C@H](c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C)[N+](=O)[O-] ZINC001338831789 962024777 /nfs/dbraw/zinc/02/47/77/962024777.db2.gz BLQRPFLLAWIIDK-SNVBAGLBSA-N 1 0 296.375 1.073 20 5 CDBDRO C[C@@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC001339611630 962452933 /nfs/dbraw/zinc/45/29/33/962452933.db2.gz ZTBLBAJKSDZFRV-BDAKNGLRSA-N 1 0 277.328 1.609 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001340248181 962841484 /nfs/dbraw/zinc/84/14/84/962841484.db2.gz FHKGLIYXTDATJH-CYZMBNFOSA-N 1 0 275.308 1.258 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001341530080 963451258 /nfs/dbraw/zinc/45/12/58/963451258.db2.gz RWLCRUQWYUFGHO-KYZUINATSA-N 1 0 295.364 1.784 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC001341739328 963525677 /nfs/dbraw/zinc/52/56/77/963525677.db2.gz GHSFFUDSQOQHHQ-RFUOJGKKSA-N 1 0 275.308 1.380 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001342265848 963691815 /nfs/dbraw/zinc/69/18/15/963691815.db2.gz SIBQTYFSAXRABQ-BIMULSAOSA-N 1 0 277.324 1.422 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001344790370 964427218 /nfs/dbraw/zinc/42/72/18/964427218.db2.gz VUCJTAHAOUEQBJ-PMEZXALUSA-N 1 0 275.308 1.522 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(C)(C)C[NH3+] ZINC001346016592 964887133 /nfs/dbraw/zinc/88/71/33/964887133.db2.gz CTTYRFFPPBQRAM-UHFFFAOYSA-N 1 0 294.355 1.693 20 5 CDBDRO CO[C@H](C)[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001346324043 965044914 /nfs/dbraw/zinc/04/49/14/965044914.db2.gz ASPUFBSMKMXHJX-WDEREUQCSA-N 1 0 295.339 1.936 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@H]1CCC[NH2+]C1)C2 ZINC001347096785 965369098 /nfs/dbraw/zinc/36/90/98/965369098.db2.gz CVAXOYDDRQEGOH-NSHDSACASA-N 1 0 261.325 1.910 20 5 CDBDRO Cc1ccc(-c2noc(C3(C)C[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC001348550292 966053813 /nfs/dbraw/zinc/05/38/13/966053813.db2.gz FKUYXDICQGQOTO-UHFFFAOYSA-N 1 0 274.280 1.814 20 5 CDBDRO C[N@@H+]1CC[C@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC001353085471 967679210 /nfs/dbraw/zinc/67/92/10/967679210.db2.gz JHKFMQBIFHXJRY-NSHDSACASA-N 1 0 278.312 1.098 20 5 CDBDRO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1csc([N+](=O)[O-])c1 ZINC001353788525 968234775 /nfs/dbraw/zinc/23/47/75/968234775.db2.gz KBMZHGVGRFGXQV-SNVBAGLBSA-N 1 0 281.337 1.480 20 5 CDBDRO [NH2+]=C(NCCNc1ccc([N+](=O)[O-])cc1)NCC1CCC1 ZINC000848982714 969377363 /nfs/dbraw/zinc/37/73/63/969377363.db2.gz FHOSFIRZFIVFSF-UHFFFAOYSA-N 1 0 291.355 1.921 20 5 CDBDRO CO[C@@H](C)[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001357127120 969537284 /nfs/dbraw/zinc/53/72/84/969537284.db2.gz SVECBMPDSBAEIW-OUJBWJOFSA-N 1 0 268.313 1.641 20 5 CDBDRO CO[C@@H](C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000849326939 969935831 /nfs/dbraw/zinc/93/58/31/969935831.db2.gz LVZQCCBLRNIHNE-JOYOIKCWSA-N 1 0 254.286 1.253 20 5 CDBDRO Cc1cc(NC(=O)NC[C@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001517936938 970001809 /nfs/dbraw/zinc/00/18/09/970001809.db2.gz OUNWJPMXVPULGO-LLVKDONJSA-N 1 0 292.339 1.976 20 5 CDBDRO CC[N@H+](C[C@@H](C)OC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000812909286 1163756791 /nfs/dbraw/zinc/75/67/91/1163756791.db2.gz VZYDRVPTBYYYOF-BXUZGUMPSA-N 1 0 282.340 1.985 20 5 CDBDRO CC[NH2+]CCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001577853610 1171754918 /nfs/dbraw/zinc/75/49/18/1171754918.db2.gz QUOQUCBLEWAXNR-UHFFFAOYSA-N 1 0 290.323 1.468 20 5 CDBDRO CN(CCC1([NH3+])CCOCC1)Cc1ccccc1[N+](=O)[O-] ZINC001578462242 1171923836 /nfs/dbraw/zinc/92/38/36/1171923836.db2.gz NAKSFKWKXRWUNH-UHFFFAOYSA-N 1 0 293.367 1.925 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@@H](CO)C1 ZINC000601140356 342479749 /nfs/dbraw/zinc/47/97/49/342479749.db2.gz URFOMVNUMIQVDH-KLPPZKSPSA-N 1 0 280.324 1.854 20 5 CDBDRO Cc1cc(N2C[C@@H](C)[NH2+][C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000092026669 342516743 /nfs/dbraw/zinc/51/67/43/342516743.db2.gz PFIGXIUOEYVMKL-AOOOYVTPSA-N 1 0 250.302 1.485 20 5 CDBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000300576894 342557280 /nfs/dbraw/zinc/55/72/80/342557280.db2.gz QIZAXAVTZOMEIR-DYEKYZERSA-N 1 0 296.371 1.711 20 5 CDBDRO [NH3+][C@H]1C[C@@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000564991576 365558505 /nfs/dbraw/zinc/55/85/05/365558505.db2.gz KSELRSCSPIAWKA-DTORHVGOSA-N 1 0 261.281 1.221 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000565004884 365564753 /nfs/dbraw/zinc/56/47/53/365564753.db2.gz QRFGHQRYTMYELC-VHSXEESVSA-N 1 0 297.380 1.929 20 5 CDBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000590577917 342577331 /nfs/dbraw/zinc/57/73/31/342577331.db2.gz JKOKIQHPNSFTSI-LLVKDONJSA-N 1 0 293.371 1.740 20 5 CDBDRO CC(C)(C)[N@@H+]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000609075328 342089899 /nfs/dbraw/zinc/08/98/99/342089899.db2.gz NNDKCTHVZFJTPD-UHFFFAOYSA-N 1 0 294.359 1.108 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000609200903 342095748 /nfs/dbraw/zinc/09/57/48/342095748.db2.gz CMVDZJIGADWQKI-CMPLNLGQSA-N 1 0 277.324 1.724 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591436464 342631626 /nfs/dbraw/zinc/63/16/26/342631626.db2.gz AISXZKAKPPHBLW-MWLCHTKSSA-N 1 0 265.288 1.922 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\CNC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591281611 342624106 /nfs/dbraw/zinc/62/41/06/342624106.db2.gz FFLRYFGDXQLFRM-UARNIUSMSA-N 1 0 279.315 1.898 20 5 CDBDRO O=C(NCC[NH2+]C1CC1)NCc1cccc([N+](=O)[O-])c1 ZINC000591348307 342626869 /nfs/dbraw/zinc/62/68/69/342626869.db2.gz PPCLLBIRMDOIEM-UHFFFAOYSA-N 1 0 278.312 1.146 20 5 CDBDRO Cc1cnc(N2CC[C@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])c1 ZINC000591437441 342631918 /nfs/dbraw/zinc/63/19/18/342631918.db2.gz HJOLNMLUAAXXFH-GHMZBOCLSA-N 1 0 262.313 1.486 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(F)c1 ZINC000591431147 342630010 /nfs/dbraw/zinc/63/00/10/342630010.db2.gz GCCFQTSBJBILLN-BDAKNGLRSA-N 1 0 266.276 1.460 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@H]4CC[NH2+][C@H]4C3)c2c1 ZINC000591439886 342632130 /nfs/dbraw/zinc/63/21/30/342632130.db2.gz ZRLLJIJKMJUDDQ-YGRLFVJLSA-N 1 0 299.334 1.726 20 5 CDBDRO CCc1nn(C)c(N2CCC3(CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000591442807 342632500 /nfs/dbraw/zinc/63/25/00/342632500.db2.gz UMHLSSNVLRHLNK-UHFFFAOYSA-N 1 0 293.371 1.471 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1ccccc1[N+](=O)[O-] ZINC000592433243 342692017 /nfs/dbraw/zinc/69/20/17/342692017.db2.gz CHULMSHWHWCVTN-RYUDHWBXSA-N 1 0 267.304 1.727 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000251293057 342155082 /nfs/dbraw/zinc/15/50/82/342155082.db2.gz WLKIUMITURYIFU-MISXGVKJSA-N 1 0 279.340 1.704 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592827786 342730326 /nfs/dbraw/zinc/73/03/26/342730326.db2.gz YHTSMIOJKLILSM-MWLCHTKSSA-N 1 0 292.339 1.915 20 5 CDBDRO C[C@H](CCO)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593107954 342769007 /nfs/dbraw/zinc/76/90/07/342769007.db2.gz RQSVTOXGEULDER-LLVKDONJSA-N 1 0 295.339 1.626 20 5 CDBDRO CC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000130209127 342209858 /nfs/dbraw/zinc/20/98/58/342209858.db2.gz HTKZAOVNRTXSSC-GXSJLCMTSA-N 1 0 265.313 1.818 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000382462688 361931686 /nfs/dbraw/zinc/93/16/86/361931686.db2.gz XLDMMAPXHPIACT-CMPLNLGQSA-N 1 0 277.324 1.760 20 5 CDBDRO [NH3+]C[C@H]1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000382458920 361944696 /nfs/dbraw/zinc/94/46/96/361944696.db2.gz SULRIGABVJJOJQ-VHSXEESVSA-N 1 0 299.352 1.001 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235710433 361999387 /nfs/dbraw/zinc/99/93/87/361999387.db2.gz FIWUXKJEGWIOLV-CMPLNLGQSA-N 1 0 277.324 1.394 20 5 CDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000593902874 342853870 /nfs/dbraw/zinc/85/38/70/342853870.db2.gz YPQQPTCCKRZHFZ-NSHDSACASA-N 1 0 277.324 1.601 20 5 CDBDRO C[C@H]([NH2+]C[C@H]1COCCN1)c1ccc([N+](=O)[O-])cc1 ZINC000600707978 342243342 /nfs/dbraw/zinc/24/33/42/342243342.db2.gz CERFVIVJSCTBHU-JQWIXIFHSA-N 1 0 265.313 1.234 20 5 CDBDRO Cc1c([C@H](C)[NH2+]C[C@H]2COCCN2)cccc1[N+](=O)[O-] ZINC000600709266 342243357 /nfs/dbraw/zinc/24/33/57/342243357.db2.gz HXDLIQPNKMQEHS-RYUDHWBXSA-N 1 0 279.340 1.542 20 5 CDBDRO COC[C@@H](CO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594503630 342914326 /nfs/dbraw/zinc/91/43/26/342914326.db2.gz FQQRGQKPNJVGIN-BXKDBHETSA-N 1 0 266.297 1.179 20 5 CDBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000274134169 539101515 /nfs/dbraw/zinc/10/15/15/539101515.db2.gz YQYLWWGVONOOCA-JOYOIKCWSA-N 1 0 293.323 1.208 20 5 CDBDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000494255605 539113995 /nfs/dbraw/zinc/11/39/95/539113995.db2.gz BVTFMFGHLLNKJR-OTYXRUKQSA-N 1 0 293.323 1.351 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000127800130 342285415 /nfs/dbraw/zinc/28/54/15/342285415.db2.gz QWLXJDHUANFORF-GWCFXTLKSA-N 1 0 293.323 1.091 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCC2CCC2)c1 ZINC000594731233 342957331 /nfs/dbraw/zinc/95/73/31/342957331.db2.gz GXODLKHMBVEZTO-ZDUSSCGKSA-N 1 0 282.344 1.322 20 5 CDBDRO Cc1cc(N[C@H](C)CN2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000074748744 342303780 /nfs/dbraw/zinc/30/37/80/342303780.db2.gz QELYCJNYXWGCFD-GFCCVEGCSA-N 1 0 293.371 1.346 20 5 CDBDRO Cc1noc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1[N+](=O)[O-] ZINC000595325019 343036191 /nfs/dbraw/zinc/03/61/91/343036191.db2.gz FHCTVOHNTLAJNO-DTORHVGOSA-N 1 0 251.286 1.979 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(Cc2onc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000595405558 343050104 /nfs/dbraw/zinc/05/01/04/343050104.db2.gz YCIJUFCELBXYML-ZJUUUORDSA-N 1 0 282.344 1.806 20 5 CDBDRO Cc1noc(C[NH2+][C@H](C)C2CCOCC2)c1[N+](=O)[O-] ZINC000595418510 343054734 /nfs/dbraw/zinc/05/47/34/343054734.db2.gz SICKMUSFFOULOV-MRVPVSSYSA-N 1 0 269.301 1.796 20 5 CDBDRO COCCC[N@H+](CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595451139 343065964 /nfs/dbraw/zinc/06/59/64/343065964.db2.gz RYUUXBYCUBKJJM-UHFFFAOYSA-N 1 0 286.303 1.565 20 5 CDBDRO C[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)[N@@H+]1CCCC[C@@H]1C ZINC000076744867 342324676 /nfs/dbraw/zinc/32/46/76/342324676.db2.gz LUGOMAJAPDISMB-UWVGGRQHSA-N 1 0 294.359 1.642 20 5 CDBDRO Cc1noc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1[N+](=O)[O-] ZINC000595513590 343082611 /nfs/dbraw/zinc/08/26/11/343082611.db2.gz WZUIEVVOQKBTCB-AXTRIDKLSA-N 1 0 281.312 1.794 20 5 CDBDRO CC[C@@H](C)[N@H+](CC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595593191 343095818 /nfs/dbraw/zinc/09/58/18/343095818.db2.gz OOAZGUKTMQJAKO-PWSUYJOCSA-N 1 0 270.333 1.273 20 5 CDBDRO C[C@@H]([NH2+]CCN1CCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000290109608 362101799 /nfs/dbraw/zinc/10/17/99/362101799.db2.gz YHGUPMSEDKMUOA-SNVBAGLBSA-N 1 0 278.312 1.271 20 5 CDBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000595769049 343146467 /nfs/dbraw/zinc/14/64/67/343146467.db2.gz IVHNOVIDECDNOA-ZWNOBZJWSA-N 1 0 250.298 1.940 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1[C@@H](C)O ZINC000595773932 343148297 /nfs/dbraw/zinc/14/82/97/343148297.db2.gz XVKBXOBLODKDLG-ZWNOBZJWSA-N 1 0 280.324 1.949 20 5 CDBDRO C[C@]1(NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000595992907 343213189 /nfs/dbraw/zinc/21/31/89/343213189.db2.gz UCFUXABVFHZQIW-ZDUSSCGKSA-N 1 0 295.364 1.555 20 5 CDBDRO COc1cccc([N+](=O)[O-])c1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000596015679 343219321 /nfs/dbraw/zinc/21/93/21/343219321.db2.gz GKUMKUXNACGOAE-MNOVXSKESA-N 1 0 277.324 1.792 20 5 CDBDRO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(C)[NH3+] ZINC000595901037 343186783 /nfs/dbraw/zinc/18/67/83/343186783.db2.gz APWWVGAHUDXIKT-UHFFFAOYSA-N 1 0 294.355 1.593 20 5 CDBDRO CC1(C)COCCN1CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596112296 343230325 /nfs/dbraw/zinc/23/03/25/343230325.db2.gz MMBMUTQBDIHHBC-UHFFFAOYSA-N 1 0 296.327 1.218 20 5 CDBDRO C[NH+](C)[C@@]1(CNc2cc[nH]c(=O)c2[N+](=O)[O-])CCSC1 ZINC000596148864 343244439 /nfs/dbraw/zinc/24/44/39/343244439.db2.gz HOXVGACRRJBVHW-GFCCVEGCSA-N 1 0 298.368 1.545 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000596123091 343248687 /nfs/dbraw/zinc/24/86/87/343248687.db2.gz OCNORSRKNZOKFI-CYBMUJFWSA-N 1 0 278.312 1.777 20 5 CDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596181713 343250300 /nfs/dbraw/zinc/25/03/00/343250300.db2.gz DSHFOPFLIJGQJY-VHSXEESVSA-N 1 0 292.339 1.223 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596244965 343285906 /nfs/dbraw/zinc/28/59/06/343285906.db2.gz SVGQALQPOOFCMD-QMMMGPOBSA-N 1 0 266.301 1.056 20 5 CDBDRO Cc1cc(C(=O)NC[C@H](C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000147785066 342436913 /nfs/dbraw/zinc/43/69/13/342436913.db2.gz OGSVFXQJGJCESR-JTQLQIEISA-N 1 0 265.313 1.583 20 5 CDBDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000597241419 343492173 /nfs/dbraw/zinc/49/21/73/343492173.db2.gz DDJDNVNPJRWJJU-MGCOHNPYSA-N 1 0 282.271 1.775 20 5 CDBDRO CC[C@@H](CO)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000295061674 199325303 /nfs/dbraw/zinc/32/53/03/199325303.db2.gz GPNWBFUHDQNIRC-LBPRGKRZSA-N 1 0 296.323 1.664 20 5 CDBDRO COc1cccc(C(=O)NCC[C@@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000597992468 343682597 /nfs/dbraw/zinc/68/25/97/343682597.db2.gz MAVVHPLIWZQLNL-SNVBAGLBSA-N 1 0 295.339 1.673 20 5 CDBDRO C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000598646664 343856457 /nfs/dbraw/zinc/85/64/57/343856457.db2.gz WINVFKOECNRMSJ-CHWSQXEVSA-N 1 0 294.351 1.924 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC(C)(C)CCC[NH+](C)C ZINC000598738961 343892582 /nfs/dbraw/zinc/89/25/82/343892582.db2.gz ROYHQHWUUFQSSH-UHFFFAOYSA-N 1 0 297.359 1.179 20 5 CDBDRO O=C(NCC1=CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000598913561 343918994 /nfs/dbraw/zinc/91/89/94/343918994.db2.gz MFIPIDJSDYDHDG-UHFFFAOYSA-N 1 0 294.286 1.775 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598914526 343919483 /nfs/dbraw/zinc/91/94/83/343919483.db2.gz GWMXOPJXZZBUSR-ZETCQYMHSA-N 1 0 268.248 1.299 20 5 CDBDRO COCCC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000599506445 344077749 /nfs/dbraw/zinc/07/77/49/344077749.db2.gz BDAFRZDFGNBUHD-UHFFFAOYSA-N 1 0 282.344 1.540 20 5 CDBDRO Cc1c(NC(=O)N(C)CCOCC[NH3+])cccc1[N+](=O)[O-] ZINC000599593975 344088426 /nfs/dbraw/zinc/08/84/26/344088426.db2.gz INKVASGSIHOBSC-UHFFFAOYSA-N 1 0 296.327 1.342 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)ccc1[N+](=O)[O-] ZINC000599989379 344160578 /nfs/dbraw/zinc/16/05/78/344160578.db2.gz ZKWCXWHYUQGIRT-IMRBUKKESA-N 1 0 289.335 1.535 20 5 CDBDRO CC[NH2+][C@H](C)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000602462773 344439946 /nfs/dbraw/zinc/43/99/46/344439946.db2.gz QYNPQDLVSXMGCT-SNVBAGLBSA-N 1 0 279.340 1.944 20 5 CDBDRO C[NH+](C)CCCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602501627 344442724 /nfs/dbraw/zinc/44/27/24/344442724.db2.gz DOFBKWMQADPEBE-UHFFFAOYSA-N 1 0 278.312 1.777 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCNC(=O)C1 ZINC000602550202 344464124 /nfs/dbraw/zinc/46/41/24/344464124.db2.gz KRMOQONKZOFEAU-NSHDSACASA-N 1 0 293.323 1.362 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000602587595 344478666 /nfs/dbraw/zinc/47/86/66/344478666.db2.gz IBOQQXJLFFVVCL-MWLCHTKSSA-N 1 0 263.297 1.262 20 5 CDBDRO CC[C@H](C)[C@@H](C[NH2+]CCn1cc([N+](=O)[O-])cn1)OC ZINC000602568773 344484321 /nfs/dbraw/zinc/48/43/21/344484321.db2.gz MHOMLRIJSBQVBT-CMPLNLGQSA-N 1 0 270.333 1.442 20 5 CDBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)NCCF ZINC000602651651 344516592 /nfs/dbraw/zinc/51/65/92/344516592.db2.gz KLDTVKICTCZGGQ-JTQLQIEISA-N 1 0 283.303 1.201 20 5 CDBDRO CCC1(O)CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602784549 344598430 /nfs/dbraw/zinc/59/84/30/344598430.db2.gz RZYJNKZUEDNJPH-UHFFFAOYSA-N 1 0 282.344 1.337 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000602795315 344586651 /nfs/dbraw/zinc/58/66/51/344586651.db2.gz AIBMAMAPOXRDCQ-QWRGUYRKSA-N 1 0 281.360 1.124 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C1CC1)C(C)(C)CO ZINC000602831007 344613868 /nfs/dbraw/zinc/61/38/68/344613868.db2.gz DVVXBBMQNDIJQN-ZDUSSCGKSA-N 1 0 296.371 1.486 20 5 CDBDRO C[NH+]1CCC(CNc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000302834297 362480514 /nfs/dbraw/zinc/48/05/14/362480514.db2.gz TUKHDKRKROVHNL-UHFFFAOYSA-N 1 0 290.327 1.391 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000602838936 344620709 /nfs/dbraw/zinc/62/07/09/344620709.db2.gz CNSDXJKCGSBGPJ-RTXFEEFZSA-N 1 0 294.355 1.503 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000602914147 344647448 /nfs/dbraw/zinc/64/74/48/344647448.db2.gz RUFIPKOTGPJKOE-ZYHUDNBSSA-N 1 0 282.344 1.050 20 5 CDBDRO C[NH+](C)CCc1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000603187243 344728239 /nfs/dbraw/zinc/72/82/39/344728239.db2.gz OYWXCLPABVIVIH-UHFFFAOYSA-N 1 0 275.312 1.339 20 5 CDBDRO C[NH2+][C@@H](C)c1cn(CCOc2ccccc2[N+](=O)[O-])nn1 ZINC000603201531 344733379 /nfs/dbraw/zinc/73/33/79/344733379.db2.gz RAMOBSXHLIOYSJ-JTQLQIEISA-N 1 0 291.311 1.546 20 5 CDBDRO CC[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122425024 344882006 /nfs/dbraw/zinc/88/20/06/344882006.db2.gz ZKFHFVCBFGLHHO-AAEUAGOBSA-N 1 0 291.351 1.723 20 5 CDBDRO CC1(CNC(=O)c2ccc([N+](=O)[O-])o2)CC[NH2+]CC1 ZINC000129120890 362508955 /nfs/dbraw/zinc/50/89/55/362508955.db2.gz IXXUGQMRMVXZMZ-UHFFFAOYSA-N 1 0 267.285 1.307 20 5 CDBDRO COc1cc(N2CC[C@@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000293022122 362526415 /nfs/dbraw/zinc/52/64/15/362526415.db2.gz JILRSULUWVJEMI-NSHDSACASA-N 1 0 279.340 1.991 20 5 CDBDRO [NH3+][C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CC1 ZINC000129186299 362530612 /nfs/dbraw/zinc/53/06/12/362530612.db2.gz OKHIUSPJNPEOSO-NSHDSACASA-N 1 0 283.715 1.715 20 5 CDBDRO CCOCC(C)(C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000293296979 362544767 /nfs/dbraw/zinc/54/47/67/362544767.db2.gz PFUHWKALMJQOJJ-UHFFFAOYSA-N 1 0 295.339 1.938 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(CO)CCC2)c(F)c1 ZINC000344357385 362575701 /nfs/dbraw/zinc/57/57/01/362575701.db2.gz XZTASSSVVFIWAM-UHFFFAOYSA-N 1 0 268.288 1.986 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000129024892 345254128 /nfs/dbraw/zinc/25/41/28/345254128.db2.gz YHSBKPLVYNHXSQ-JOYOIKCWSA-N 1 0 292.339 1.005 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000609619911 345978736 /nfs/dbraw/zinc/97/87/36/345978736.db2.gz FOVWOUOSYXIVHK-CYBMUJFWSA-N 1 0 291.351 1.547 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000212555450 346118785 /nfs/dbraw/zinc/11/87/85/346118785.db2.gz QGQQYLBHHRVPPB-UXFRKABBSA-N 1 0 289.335 1.817 20 5 CDBDRO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCCC1 ZINC000610484817 346289451 /nfs/dbraw/zinc/28/94/51/346289451.db2.gz XZGBJIGJDHEWAW-UHFFFAOYSA-N 1 0 282.344 1.682 20 5 CDBDRO C[C@@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000089302052 346755961 /nfs/dbraw/zinc/75/59/61/346755961.db2.gz SPBCQTMKQYLDJS-JTQLQIEISA-N 1 0 265.313 1.204 20 5 CDBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[C@@H]1[NH3+] ZINC000122567021 347659270 /nfs/dbraw/zinc/65/92/70/347659270.db2.gz GLNWDSIZWKIRGC-ONGXEEELSA-N 1 0 280.328 1.133 20 5 CDBDRO C[C@H](Cc1ccc(O)cc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000293709793 362936082 /nfs/dbraw/zinc/93/60/82/362936082.db2.gz UNYPKVKGDYYYEK-LLVKDONJSA-N 1 0 290.323 1.718 20 5 CDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000090537962 179999444 /nfs/dbraw/zinc/99/94/44/179999444.db2.gz UGPCEPPCXSGLBT-SNVBAGLBSA-N 1 0 268.317 1.196 20 5 CDBDRO COC[C@@H](CCO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515669954 362957183 /nfs/dbraw/zinc/95/71/83/362957183.db2.gz FSSJOAGDGMBUHS-ZWNOBZJWSA-N 1 0 280.324 1.569 20 5 CDBDRO Cc1c(C[NH2+][C@H](C(N)=O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000106444590 186118010 /nfs/dbraw/zinc/11/80/10/186118010.db2.gz BPPMIGQNXXEQTD-GFCCVEGCSA-N 1 0 279.340 1.893 20 5 CDBDRO Nc1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)nc1[N+](=O)[O-] ZINC000311642362 350702325 /nfs/dbraw/zinc/70/23/25/350702325.db2.gz LECCVPZCYZSUPS-QMMMGPOBSA-N 1 0 263.301 1.221 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111010428 186343209 /nfs/dbraw/zinc/34/32/09/186343209.db2.gz LGXCPRAXJCXTBY-MRVPVSSYSA-N 1 0 283.715 1.730 20 5 CDBDRO CNC(=O)c1ccc(NC[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000291867298 198089960 /nfs/dbraw/zinc/08/99/60/198089960.db2.gz NHYTYGMKUWPLOO-JTQLQIEISA-N 1 0 294.355 1.564 20 5 CDBDRO C[NH+]1CCC(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000144440754 187912073 /nfs/dbraw/zinc/91/20/73/187912073.db2.gz USGPMHRMOOPLFC-UHFFFAOYSA-N 1 0 277.324 1.553 20 5 CDBDRO COc1cc(C(=O)N[C@@H](C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000295159199 199379635 /nfs/dbraw/zinc/37/96/35/199379635.db2.gz DPIKRSPLNBAEBW-VIFPVBQESA-N 1 0 281.312 1.461 20 5 CDBDRO CC(C)[NH+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000271674131 191270941 /nfs/dbraw/zinc/27/09/41/191270941.db2.gz XQPQANUJGPIBQT-LBPRGKRZSA-N 1 0 270.333 1.271 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000156588451 188270947 /nfs/dbraw/zinc/27/09/47/188270947.db2.gz IAOVQNYKIUIDFI-VHSXEESVSA-N 1 0 265.313 1.537 20 5 CDBDRO CC(C)[C@@H]([NH3+])C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000292517077 198317942 /nfs/dbraw/zinc/31/79/42/198317942.db2.gz QHBIZRINJHUOCO-SNVBAGLBSA-N 1 0 277.284 1.393 20 5 CDBDRO COc1ccc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000157353003 188312135 /nfs/dbraw/zinc/31/21/35/188312135.db2.gz SEDKJXATUORXIC-UHFFFAOYSA-N 1 0 290.323 1.932 20 5 CDBDRO C[NH2+]CC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000063166316 363274997 /nfs/dbraw/zinc/27/49/97/363274997.db2.gz BSJWZMLSRPQYRY-UHFFFAOYSA-N 1 0 250.302 1.426 20 5 CDBDRO COC[C@@H]1C[C@H](O)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000411921644 363381046 /nfs/dbraw/zinc/38/10/46/363381046.db2.gz KBUXZRJGXCSVAW-STQMWFEESA-N 1 0 296.323 1.055 20 5 CDBDRO CO[C@@](C)([C@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000411959158 363388030 /nfs/dbraw/zinc/38/80/30/363388030.db2.gz YBQCHUYHJIJSMP-GWCFXTLKSA-N 1 0 282.344 1.585 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000172029205 188777075 /nfs/dbraw/zinc/77/70/75/188777075.db2.gz YHZQYKIJJNCXCW-GFCCVEGCSA-N 1 0 291.351 1.927 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2=CC[N@H+](C)CC2)c1 ZINC000271880692 191386482 /nfs/dbraw/zinc/38/64/82/191386482.db2.gz BZKPYDULVXUQNX-UHFFFAOYSA-N 1 0 289.335 1.895 20 5 CDBDRO C[NH2+]CCN(C)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000234371660 140228797 /nfs/dbraw/zinc/22/87/97/140228797.db2.gz HROANWVTJMXFBF-UHFFFAOYSA-N 1 0 278.234 1.664 20 5 CDBDRO CC[C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1OC)[NH+](C)C ZINC000157618679 356186441 /nfs/dbraw/zinc/18/64/41/356186441.db2.gz MBIKKSYCSSSWBA-LBPRGKRZSA-N 1 0 295.339 1.560 20 5 CDBDRO C[C@@H](CCCC[NH3+])NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000336789302 356261720 /nfs/dbraw/zinc/26/17/20/356261720.db2.gz ITTBKCDLHYKGQN-QMMMGPOBSA-N 1 0 254.290 1.170 20 5 CDBDRO CC[C@@H]([NH3+])c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000229939128 356321483 /nfs/dbraw/zinc/32/14/83/356321483.db2.gz GPOGTDNKLYWMAZ-LLVKDONJSA-N 1 0 261.285 1.644 20 5 CDBDRO CCCCC[N@H+](CCO)CCn1ccc([N+](=O)[O-])n1 ZINC000176245192 366296791 /nfs/dbraw/zinc/29/67/91/366296791.db2.gz AXGQNQAHDPDOAU-UHFFFAOYSA-N 1 0 270.333 1.276 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000578531007 356717642 /nfs/dbraw/zinc/71/76/42/356717642.db2.gz PUPTYZYQIJACOU-UHFFFAOYSA-N 1 0 281.312 1.333 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000046091225 357134988 /nfs/dbraw/zinc/13/49/88/357134988.db2.gz FHYUURMGNCDRRJ-UHFFFAOYSA-N 1 0 250.298 1.799 20 5 CDBDRO C[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000181029702 357304633 /nfs/dbraw/zinc/30/46/33/357304633.db2.gz RHWVTEZNQNYFDW-SECBINFHSA-N 1 0 292.339 1.390 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261674544 357277735 /nfs/dbraw/zinc/27/77/35/357277735.db2.gz GCEQPOAWDXDQDR-WCQYABFASA-N 1 0 275.308 1.419 20 5 CDBDRO COC(=O)N1CC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181473885 357351025 /nfs/dbraw/zinc/35/10/25/357351025.db2.gz DSQKJBLHBYULHI-SECBINFHSA-N 1 0 279.296 1.696 20 5 CDBDRO Cn1nc([N+](=O)[O-])cc1-c1nc(C2([NH3+])CCCC2)no1 ZINC000566215385 357438075 /nfs/dbraw/zinc/43/80/75/357438075.db2.gz AFPZUVGITLAYQE-UHFFFAOYSA-N 1 0 278.272 1.106 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c(F)c1 ZINC000360763376 357683371 /nfs/dbraw/zinc/68/33/71/357683371.db2.gz JVEABCRBXUKZFS-RYUDHWBXSA-N 1 0 298.314 1.469 20 5 CDBDRO CNc1c(C(=O)N2CC([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000360936025 357753672 /nfs/dbraw/zinc/75/36/72/357753672.db2.gz DCGDJSVNEHJYIM-UHFFFAOYSA-N 1 0 278.312 1.023 20 5 CDBDRO COc1cc(C[NH2+][C@@H](C)C[C@@H](C)O)c([N+](=O)[O-])cc1OC ZINC000361029119 357769189 /nfs/dbraw/zinc/76/91/89/357769189.db2.gz HLVLYGDRNFZMDB-VHSXEESVSA-N 1 0 298.339 1.861 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062892902 357974005 /nfs/dbraw/zinc/97/40/05/357974005.db2.gz XRVMBBOIOOYYQP-ZDUSSCGKSA-N 1 0 263.297 1.841 20 5 CDBDRO Cc1cc(C(=O)N(C)C2CC([NH3+])C2)ccc1[N+](=O)[O-] ZINC000294701601 199142016 /nfs/dbraw/zinc/14/20/16/199142016.db2.gz AXAGZUZIIVOKQD-UHFFFAOYSA-N 1 0 263.297 1.465 20 5 CDBDRO CS(=O)(=O)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192773379 358234759 /nfs/dbraw/zinc/23/47/59/358234759.db2.gz FHFOMQFUIQWWGG-ZDUSSCGKSA-N 1 0 298.364 1.606 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H](C)O ZINC000361506803 358244750 /nfs/dbraw/zinc/24/47/50/358244750.db2.gz NBUZSIQGBXRGFE-VIFPVBQESA-N 1 0 254.286 1.416 20 5 CDBDRO Cc1ccc(C[N@H+]2C[C@H](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000361657690 358403262 /nfs/dbraw/zinc/40/32/62/358403262.db2.gz WKXFYQXIEZIHDL-AAEUAGOBSA-N 1 0 264.325 1.963 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000186753589 358821613 /nfs/dbraw/zinc/82/16/13/358821613.db2.gz WYCCYXQRCXKSAO-BXKDBHETSA-N 1 0 277.324 1.631 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000264949005 358789970 /nfs/dbraw/zinc/78/99/70/358789970.db2.gz XTVSSVVHXLEGDP-NSHDSACASA-N 1 0 295.339 1.430 20 5 CDBDRO COCCCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332665390 358879821 /nfs/dbraw/zinc/87/98/21/358879821.db2.gz CUEBLEYIVQQYBG-UHFFFAOYSA-N 1 0 265.313 1.775 20 5 CDBDRO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000351756689 358961297 /nfs/dbraw/zinc/96/12/97/358961297.db2.gz LLQLJMKJVBVCJF-GXFFZTMASA-N 1 0 250.298 1.450 20 5 CDBDRO CCn1ccnc1[C@@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000450834747 359012739 /nfs/dbraw/zinc/01/27/39/359012739.db2.gz VKVMBWLYUQXXEH-MRVPVSSYSA-N 1 0 264.289 1.718 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C[NH+](C)C ZINC000287584467 359017795 /nfs/dbraw/zinc/01/77/95/359017795.db2.gz NUMWGAPWTIJRBV-VIFPVBQESA-N 1 0 296.327 1.675 20 5 CDBDRO O=C(NCC[NH2+]C1CCCCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000127471530 359100239 /nfs/dbraw/zinc/10/02/39/359100239.db2.gz SOZJTPSEYBFMCU-UHFFFAOYSA-N 1 0 294.355 1.965 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000119976611 359052439 /nfs/dbraw/zinc/05/24/39/359052439.db2.gz YKQGIDZNLXTLFS-UHFFFAOYSA-N 1 0 265.313 1.585 20 5 CDBDRO C[C@@H](NC(=O)/C=C\c1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000381498457 359052678 /nfs/dbraw/zinc/05/26/78/359052678.db2.gz SAUKGOPUBXJDQH-SMWNKPDJSA-N 1 0 263.297 1.460 20 5 CDBDRO CN(CC(=O)NCC1([NH3+])CCC1)c1ccccc1[N+](=O)[O-] ZINC000342588562 359125896 /nfs/dbraw/zinc/12/58/96/359125896.db2.gz MDPQVRBTHXMAFT-UHFFFAOYSA-N 1 0 292.339 1.029 20 5 CDBDRO [NH3+]CC1(CC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000423726880 283425850 /nfs/dbraw/zinc/42/58/50/283425850.db2.gz QCYZVJBLAQZKMU-UHFFFAOYSA-N 1 0 289.295 1.539 20 5 CDBDRO [NH3+]CC1(NC(=O)c2csc([N+](=O)[O-])c2)CCCC1 ZINC000111831706 359266687 /nfs/dbraw/zinc/26/66/87/359266687.db2.gz ZRDXJARUZZEOIV-UHFFFAOYSA-N 1 0 269.326 1.658 20 5 CDBDRO C[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000153603299 237020082 /nfs/dbraw/zinc/02/00/82/237020082.db2.gz GOLMLPHHWGRKOG-QWRGUYRKSA-N 1 0 293.323 1.182 20 5 CDBDRO CC(C)[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCCO1 ZINC000339832574 359465091 /nfs/dbraw/zinc/46/50/91/359465091.db2.gz YHCUMEYXPIAGQA-GFCCVEGCSA-N 1 0 282.344 1.538 20 5 CDBDRO Cc1c(C[N@@H+](C)CC2(O)CCOCC2)cccc1[N+](=O)[O-] ZINC000162252101 237224419 /nfs/dbraw/zinc/22/44/19/237224419.db2.gz MDZZJWMNVSKEHH-UHFFFAOYSA-N 1 0 294.351 1.877 20 5 CDBDRO CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000384931547 366561353 /nfs/dbraw/zinc/56/13/53/366561353.db2.gz SNMDCUICADGPCX-AATRIKPKSA-N 1 0 275.308 1.556 20 5 CDBDRO Cc1c(Cn2cc(CCCC[NH3+])nn2)cccc1[N+](=O)[O-] ZINC000228376908 360170570 /nfs/dbraw/zinc/17/05/70/360170570.db2.gz VBSDNLKMFFJBJB-UHFFFAOYSA-N 1 0 289.339 1.824 20 5 CDBDRO CCC[NH2+]CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000154414145 360352946 /nfs/dbraw/zinc/35/29/46/360352946.db2.gz LMQMGZHLFXIBNI-UHFFFAOYSA-N 1 0 297.380 1.803 20 5 CDBDRO CC[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075747698 360360020 /nfs/dbraw/zinc/36/00/20/360360020.db2.gz FKNWMUAMVGUMCR-OCCSQVGLSA-N 1 0 296.371 1.664 20 5 CDBDRO CS[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)C[C@@H]1[NH+](C)C ZINC000270394833 360486932 /nfs/dbraw/zinc/48/69/32/360486932.db2.gz UBKBAFFIJBVETJ-NWDGAFQWSA-N 1 0 296.396 1.780 20 5 CDBDRO CCc1ccc(C(=O)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000178782226 189145778 /nfs/dbraw/zinc/14/57/78/189145778.db2.gz KAWRAVPQTVGRCD-GFCCVEGCSA-N 1 0 277.324 1.639 20 5 CDBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000179086101 189168054 /nfs/dbraw/zinc/16/80/54/189168054.db2.gz RFCVOWRCFNWOBR-KYOSRNDESA-N 1 0 294.351 1.864 20 5 CDBDRO CSc1ccc(C(=O)N(C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000179197876 189176978 /nfs/dbraw/zinc/17/69/78/189176978.db2.gz QUNWITXCFUCJRL-MRVPVSSYSA-N 1 0 283.353 1.736 20 5 CDBDRO CO[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000267715390 361353167 /nfs/dbraw/zinc/35/31/67/361353167.db2.gz XHYLLVAXSPXSGT-ZDUSSCGKSA-N 1 0 250.298 1.858 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000168717219 361409200 /nfs/dbraw/zinc/40/92/00/361409200.db2.gz GBTMJYFABKISBR-ZYHUDNBSSA-N 1 0 277.324 1.333 20 5 CDBDRO [NH3+][C@@H](CC(F)F)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000345719404 361419139 /nfs/dbraw/zinc/41/91/39/361419139.db2.gz PUBASUBAFMVNQY-NSHDSACASA-N 1 0 299.277 1.462 20 5 CDBDRO Cc1nc(N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)ncc1[N+](=O)[O-] ZINC000294860402 361493043 /nfs/dbraw/zinc/49/30/43/361493043.db2.gz CZRSWTJRLCMYHY-JQWIXIFHSA-N 1 0 277.328 1.224 20 5 CDBDRO CC[NH+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](C)C1 ZINC000580463915 363919111 /nfs/dbraw/zinc/91/91/11/363919111.db2.gz CVKYPZAUEVCRSG-UWVGGRQHSA-N 1 0 280.328 1.478 20 5 CDBDRO COCC[C@]1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000580898570 363952925 /nfs/dbraw/zinc/95/29/25/363952925.db2.gz OMBMFDDXQZYFIY-HNNXBMFYSA-N 1 0 294.351 1.923 20 5 CDBDRO CSC[C@@H](O)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000581007129 363962598 /nfs/dbraw/zinc/96/25/98/363962598.db2.gz GWJNTHWZMPJMDZ-NSHDSACASA-N 1 0 286.353 1.287 20 5 CDBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+](C)C ZINC000037985885 364012583 /nfs/dbraw/zinc/01/25/83/364012583.db2.gz YTYPHWZNVJYGBA-MRVPVSSYSA-N 1 0 268.273 1.865 20 5 CDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000345816260 364022675 /nfs/dbraw/zinc/02/26/75/364022675.db2.gz KNVTYTGILMFGBR-OLZOCXBDSA-N 1 0 277.324 1.599 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000088147765 364262689 /nfs/dbraw/zinc/26/26/89/364262689.db2.gz NZFUIGZAKHYITR-SECBINFHSA-N 1 0 251.286 1.370 20 5 CDBDRO CCC(CC)C[N@H+](CC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174730615 364266730 /nfs/dbraw/zinc/26/67/30/364266730.db2.gz VOXUTRXXPWXPKW-CQSZACIVSA-N 1 0 298.387 1.910 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000268294134 364625491 /nfs/dbraw/zinc/62/54/91/364625491.db2.gz ZXTAGFUTIVEWGF-KCJUWKMLSA-N 1 0 278.312 1.135 20 5 CDBDRO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000249561563 364890600 /nfs/dbraw/zinc/89/06/00/364890600.db2.gz LTADVVNXZNBPPC-SMDDNHRTSA-N 1 0 280.324 1.676 20 5 CDBDRO C[C@]1(CO)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000546104744 365209631 /nfs/dbraw/zinc/20/96/31/365209631.db2.gz NWXUVNQCIPTIPY-CYBMUJFWSA-N 1 0 250.298 1.942 20 5 CDBDRO COc1cc(N2CCC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000111051223 365377116 /nfs/dbraw/zinc/37/71/16/365377116.db2.gz YASZLNCQJXFKRW-JTQLQIEISA-N 1 0 265.313 1.779 20 5 CDBDRO CC[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000270944246 366948458 /nfs/dbraw/zinc/94/84/58/366948458.db2.gz RXUNTRXKNSYZPN-LERXQTSPSA-N 1 0 280.324 1.331 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH2+]CC1 ZINC000414658733 241305408 /nfs/dbraw/zinc/30/54/08/241305408.db2.gz RKFQWEYMQYPWHT-UHFFFAOYSA-N 1 0 294.311 1.477 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000153110805 367034095 /nfs/dbraw/zinc/03/40/95/367034095.db2.gz CAGUAGIWJUUNKK-CHWSQXEVSA-N 1 0 277.324 1.422 20 5 CDBDRO COc1ccc(CNCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000414810963 241398973 /nfs/dbraw/zinc/39/89/73/241398973.db2.gz YRQVJXIRDXYFKA-UHFFFAOYSA-N 1 0 253.302 1.430 20 5 CDBDRO C[C@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000415384077 241664710 /nfs/dbraw/zinc/66/47/10/241664710.db2.gz MJPAWHZOQWRKSG-UWVGGRQHSA-N 1 0 293.327 1.003 20 5 CDBDRO Cc1cnc(NCCOCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000231208275 367545642 /nfs/dbraw/zinc/54/56/42/367545642.db2.gz NORUFUHSWVKAHK-UHFFFAOYSA-N 1 0 268.317 1.288 20 5 CDBDRO C[C@@H](NC(=O)NC(C)(C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417136650 242332126 /nfs/dbraw/zinc/33/21/26/242332126.db2.gz LFHMNFNNWAGXQJ-SECBINFHSA-N 1 0 280.328 1.692 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417145247 242336604 /nfs/dbraw/zinc/33/66/04/242336604.db2.gz WVXOWWXLCAJPLB-GXSJLCMTSA-N 1 0 280.328 1.692 20 5 CDBDRO [NH3+]CCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161975514 367908413 /nfs/dbraw/zinc/90/84/13/367908413.db2.gz UTXTUIROOQXMML-UHFFFAOYSA-N 1 0 293.323 1.313 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)c1nc2sccn2c1[N+](=O)[O-] ZINC000420636396 244301545 /nfs/dbraw/zinc/30/15/45/244301545.db2.gz NJNNUMBTAKWVAQ-SECBINFHSA-N 1 0 295.368 1.834 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000330894471 203363094 /nfs/dbraw/zinc/36/30/94/203363094.db2.gz FISFNFVPXZSOEA-WCQYABFASA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000295257716 369779784 /nfs/dbraw/zinc/77/97/84/369779784.db2.gz RAUCEOYAFRDADQ-JTQLQIEISA-N 1 0 294.355 1.518 20 5 CDBDRO C[NH+](C)C1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000421694006 244779625 /nfs/dbraw/zinc/77/96/25/244779625.db2.gz UCYFBHUOAYVRNB-UHFFFAOYSA-N 1 0 281.312 1.790 20 5 CDBDRO CNC(=O)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026349339 370282524 /nfs/dbraw/zinc/28/25/24/370282524.db2.gz LYFMVTZZJFZEBI-UHFFFAOYSA-N 1 0 251.286 1.163 20 5 CDBDRO CC[NH+](CC)CCSc1ncc([N+](=O)[O-])c(N)n1 ZINC000266146358 370350980 /nfs/dbraw/zinc/35/09/80/370350980.db2.gz RVWWZFRAKNZEDB-UHFFFAOYSA-N 1 0 271.346 1.401 20 5 CDBDRO CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)[C@@H](C)C1 ZINC000295665286 370558501 /nfs/dbraw/zinc/55/85/01/370558501.db2.gz ITBPJGOSCFVBIW-VIFPVBQESA-N 1 0 265.317 1.224 20 5 CDBDRO Cc1sc(C(=O)NC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000130006467 370598501 /nfs/dbraw/zinc/59/85/01/370598501.db2.gz DZNCWEVJUHXMRW-SECBINFHSA-N 1 0 283.353 1.694 20 5 CDBDRO CC[NH2+][C@H](C)CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000414965007 371103377 /nfs/dbraw/zinc/10/33/77/371103377.db2.gz VJSNDZJASNVLKB-SNVBAGLBSA-N 1 0 297.355 1.700 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC3CCOCC3)CC2)n1 ZINC000332439279 204698604 /nfs/dbraw/zinc/69/86/04/204698604.db2.gz IFIUOYMUUCUZKX-UHFFFAOYSA-N 1 0 294.355 1.855 20 5 CDBDRO CC[N@H+](CCOC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299139651 372452027 /nfs/dbraw/zinc/45/20/27/372452027.db2.gz SBSARHAFWNNYGO-ZDUSSCGKSA-N 1 0 298.339 1.303 20 5 CDBDRO CC1(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[NH2+]C1 ZINC000423161274 245619878 /nfs/dbraw/zinc/61/98/78/245619878.db2.gz IOSCQBGJHDRMAR-UHFFFAOYSA-N 1 0 291.351 1.643 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000121811530 373123198 /nfs/dbraw/zinc/12/31/98/373123198.db2.gz PKMUPVDTCXJFNY-UHFFFAOYSA-N 1 0 279.340 1.975 20 5 CDBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000190984481 373431006 /nfs/dbraw/zinc/43/10/06/373431006.db2.gz HVIGSTQSFLCPNN-UHFFFAOYSA-N 1 0 280.324 1.568 20 5 CDBDRO COc1ccc(C[NH2+]C[C@@]2(OC)CCOC2)cc1[N+](=O)[O-] ZINC000122899339 373571304 /nfs/dbraw/zinc/57/13/04/373571304.db2.gz QQFAHRYVCWAQAK-AWEZNQCLSA-N 1 0 296.323 1.499 20 5 CDBDRO CCC[NH2+]CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000154151102 373752750 /nfs/dbraw/zinc/75/27/50/373752750.db2.gz BPHFPXWQYVFVTO-UHFFFAOYSA-N 1 0 281.312 1.089 20 5 CDBDRO CCc1nn(C)c(NC2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000091562514 374039650 /nfs/dbraw/zinc/03/96/50/374039650.db2.gz BGISNANRIYMVQC-UHFFFAOYSA-N 1 0 281.360 1.787 20 5 CDBDRO COC(=O)[C@H](C)C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000298716383 374075134 /nfs/dbraw/zinc/07/51/34/374075134.db2.gz IZAWNLVTCPYILM-LLVKDONJSA-N 1 0 296.323 1.715 20 5 CDBDRO C[C@H]([NH3+])CCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423717775 246000114 /nfs/dbraw/zinc/00/01/14/246000114.db2.gz BNSXRQZWGUVGDL-ZETCQYMHSA-N 1 0 277.284 1.537 20 5 CDBDRO C[NH2+]CCN(C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418231268 374260034 /nfs/dbraw/zinc/26/00/34/374260034.db2.gz KWMHEBQOSKALIW-JTQLQIEISA-N 1 0 280.328 1.517 20 5 CDBDRO C[C@H](CC(N)=O)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000161571863 374263074 /nfs/dbraw/zinc/26/30/74/374263074.db2.gz CHCGVWAVRJMTKP-SSDOTTSWSA-N 1 0 271.704 1.602 20 5 CDBDRO C[C@@H]([NH3+])CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000420156022 374289056 /nfs/dbraw/zinc/28/90/56/374289056.db2.gz MAJCCMUBGOQLBD-SECBINFHSA-N 1 0 260.297 1.714 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000161615705 374354985 /nfs/dbraw/zinc/35/49/85/374354985.db2.gz AXOOJVILLKIVJR-WDEREUQCSA-N 1 0 263.297 1.595 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000161618005 374357744 /nfs/dbraw/zinc/35/77/44/374357744.db2.gz MRQNPNNPFFHCPU-GHMZBOCLSA-N 1 0 263.297 1.595 20 5 CDBDRO Cc1ccc([C@@H](C)NC[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000423473656 374382832 /nfs/dbraw/zinc/38/28/32/374382832.db2.gz HKWUGOMNAGNCHL-OCCSQVGLSA-N 1 0 292.383 1.457 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](C3CCOCC3)C2)n1 ZINC000371076018 374406965 /nfs/dbraw/zinc/40/69/65/374406965.db2.gz STPRSCXIDVGVKR-CYBMUJFWSA-N 1 0 294.355 1.540 20 5 CDBDRO Cc1ccnc(N2CCC[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000070496567 374664234 /nfs/dbraw/zinc/66/42/34/374664234.db2.gz KILBPADOKPCWPV-JTQLQIEISA-N 1 0 250.302 1.473 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000070577324 374665092 /nfs/dbraw/zinc/66/50/92/374665092.db2.gz WOHQWWJBIJCCIJ-OLZOCXBDSA-N 1 0 291.351 1.771 20 5 CDBDRO C[C@H](Nc1cccc(F)c1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000154771934 374748693 /nfs/dbraw/zinc/74/86/93/374748693.db2.gz QCBJMLALCMLGGL-JOYOIKCWSA-N 1 0 283.303 1.865 20 5 CDBDRO Cc1nc(N[C@H](C)[C@@H]2CN(C)CCO2)ccc1[N+](=O)[O-] ZINC000154783138 374751603 /nfs/dbraw/zinc/75/16/03/374751603.db2.gz FIMWFCLBMUNHDO-PWSUYJOCSA-N 1 0 280.328 1.429 20 5 CDBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H](O)CO)o2)c1 ZINC000276695388 374744022 /nfs/dbraw/zinc/74/40/22/374744022.db2.gz DIFGGJGYSWDSEH-LBPRGKRZSA-N 1 0 292.291 1.298 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC(C)(C)[NH+](C)C ZINC000277295733 374780593 /nfs/dbraw/zinc/78/05/93/374780593.db2.gz MQYGNZAIKWZBRD-UHFFFAOYSA-N 1 0 295.339 1.673 20 5 CDBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330942197 374874556 /nfs/dbraw/zinc/87/45/56/374874556.db2.gz GFASDCALPSCLGJ-NQBHXWOUSA-N 1 0 282.344 1.273 20 5 CDBDRO O=C(NCC[N@H+]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000279771006 374957383 /nfs/dbraw/zinc/95/73/83/374957383.db2.gz BPISEEKSPCHKPA-UHFFFAOYSA-N 1 0 275.308 1.587 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c1 ZINC000280204145 374986985 /nfs/dbraw/zinc/98/69/85/374986985.db2.gz FCBMZVJVHXIFNJ-QWHCGFSZSA-N 1 0 280.324 1.329 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H](C)N1C ZINC000293850748 375136337 /nfs/dbraw/zinc/13/63/37/375136337.db2.gz AKWJZSCDEPTKBC-DTORHVGOSA-N 1 0 266.301 1.088 20 5 CDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NC1CC[NH2+]CC1 ZINC000493501914 375459802 /nfs/dbraw/zinc/45/98/02/375459802.db2.gz WPJKKNPYRAONKO-RQOWECAXSA-N 1 0 293.298 1.615 20 5 CDBDRO C[NH+](C)C1(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000493273776 375431244 /nfs/dbraw/zinc/43/12/44/375431244.db2.gz RACCAGPKOGEZCW-VOTSOKGWSA-N 1 0 289.335 1.818 20 5 CDBDRO CC[C@@](C)(NCc1cc([N+](=O)[O-])ccc1OC)C(N)=O ZINC000133189225 375716612 /nfs/dbraw/zinc/71/66/12/375716612.db2.gz GYIHAJISTMQCPH-CYBMUJFWSA-N 1 0 281.312 1.347 20 5 CDBDRO Cc1ccc(NC(=O)[C@@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000133729826 375818202 /nfs/dbraw/zinc/81/82/02/375818202.db2.gz HEMWTLFDZWCYDU-IUCAKERBSA-N 1 0 251.286 1.825 20 5 CDBDRO C[C@](C[NH3+])(NC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000133734121 375819578 /nfs/dbraw/zinc/81/95/78/375819578.db2.gz KQIMOOTZBCJJGK-CYBMUJFWSA-N 1 0 278.312 1.844 20 5 CDBDRO C[C@@H]1[C@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000357075146 375881562 /nfs/dbraw/zinc/88/15/62/375881562.db2.gz VIXIHUIUWQKDOO-OLZOCXBDSA-N 1 0 293.367 1.998 20 5 CDBDRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000219065182 375944610 /nfs/dbraw/zinc/94/46/10/375944610.db2.gz IQPAOXVUQXKRPY-CABZTGNLSA-N 1 0 270.354 1.797 20 5 CDBDRO Cc1cc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000435247474 248162726 /nfs/dbraw/zinc/16/27/26/248162726.db2.gz WXBZWHBHISKTMQ-CYBMUJFWSA-N 1 0 289.335 1.870 20 5 CDBDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000067419364 377063373 /nfs/dbraw/zinc/06/33/73/377063373.db2.gz ZTUCQNGWWDJOKP-ZDUSSCGKSA-N 1 0 291.351 1.943 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000441607564 249891202 /nfs/dbraw/zinc/89/12/02/249891202.db2.gz ACNFDRAQAKMCMM-ZETCQYMHSA-N 1 0 271.704 1.573 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC[NH+]1CCC1 ZINC000443958765 250065914 /nfs/dbraw/zinc/06/59/14/250065914.db2.gz NFRIZUVEDSIIOA-UHFFFAOYSA-N 1 0 297.742 1.613 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000041031582 379291323 /nfs/dbraw/zinc/29/13/23/379291323.db2.gz LRYFBHMCDFPEGS-FOSCPWQOSA-N 1 0 289.335 1.916 20 5 CDBDRO COC[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174860964 379591809 /nfs/dbraw/zinc/59/18/09/379591809.db2.gz DKHVIFZAVMMEEP-LLVKDONJSA-N 1 0 268.317 1.150 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cn1cncn1 ZINC000449102499 250689301 /nfs/dbraw/zinc/68/93/01/250689301.db2.gz YTPDDXUMLNOSHF-NEPJUHHUSA-N 1 0 289.339 1.796 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCO[C@H]1C ZINC000449291611 250783917 /nfs/dbraw/zinc/78/39/17/250783917.db2.gz MTGKXHULOPXZES-XUJVJEKNSA-N 1 0 294.351 1.655 20 5 CDBDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000449452689 250864677 /nfs/dbraw/zinc/86/46/77/250864677.db2.gz GOESELMNBHZCOV-WDEREUQCSA-N 1 0 286.353 1.797 20 5 CDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@H](O)C1 ZINC000449756748 251003283 /nfs/dbraw/zinc/00/32/83/251003283.db2.gz WQPGIGAECHEKQC-XHVZSJERSA-N 1 0 293.323 1.425 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289351475 197307882 /nfs/dbraw/zinc/30/78/82/197307882.db2.gz YBYNSPAGYWQQIU-OAHLLOKOSA-N 1 0 289.335 1.811 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CC2CC2)CC1 ZINC000071811744 285165891 /nfs/dbraw/zinc/16/58/91/285165891.db2.gz BKZVIIQLYUPONB-UHFFFAOYSA-N 1 0 262.313 1.522 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2(O)CCC2)n1 ZINC000447535634 285169031 /nfs/dbraw/zinc/16/90/31/285169031.db2.gz HLSYFAGSMRIBCE-NEPJUHHUSA-N 1 0 294.355 1.780 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094340163 184784379 /nfs/dbraw/zinc/78/43/79/184784379.db2.gz RHTDJTIQEPSROH-KCJUWKMLSA-N 1 0 281.287 1.543 20 5 CDBDRO C[C@H](C[NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000285804735 390183963 /nfs/dbraw/zinc/18/39/63/390183963.db2.gz QPVJNRCVIQVROF-LLVKDONJSA-N 1 0 279.340 1.629 20 5 CDBDRO Cc1ccc(NCCCNC(=O)[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000285800646 390184191 /nfs/dbraw/zinc/18/41/91/390184191.db2.gz QHZYGIVLNAHHQJ-LLVKDONJSA-N 1 0 294.355 1.416 20 5 CDBDRO CO[C@H](C)C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000285903718 390186393 /nfs/dbraw/zinc/18/63/93/390186393.db2.gz ZWCGUHVTOHAMOK-LLVKDONJSA-N 1 0 268.313 1.940 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000433022019 390494956 /nfs/dbraw/zinc/49/49/56/390494956.db2.gz SRDDGCXWDPTRLW-LLVKDONJSA-N 1 0 280.328 1.208 20 5 CDBDRO Cc1nc(N[C@H]2CCC[C@@H]2[NH+](C)C)ncc1[N+](=O)[O-] ZINC000450470184 390476043 /nfs/dbraw/zinc/47/60/43/390476043.db2.gz TUHHWMKFGJXXOR-UWVGGRQHSA-N 1 0 265.317 1.588 20 5 CDBDRO CC1(C)[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@@H]2CCO[C@H]21 ZINC000451468490 390624048 /nfs/dbraw/zinc/62/40/48/390624048.db2.gz UQIBSTWUSOGCEB-MVWJERBFSA-N 1 0 280.328 1.194 20 5 CDBDRO CCO[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000451537907 390630864 /nfs/dbraw/zinc/63/08/64/390630864.db2.gz IWTJGPCRFKZKJY-NWDGAFQWSA-N 1 0 282.344 1.538 20 5 CDBDRO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451101829 390597060 /nfs/dbraw/zinc/59/70/60/390597060.db2.gz GIOSZBAFJSQHCO-ZWKOPEQDSA-N 1 0 266.297 1.659 20 5 CDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[NH2+]CC1 ZINC000430921657 390942549 /nfs/dbraw/zinc/94/25/49/390942549.db2.gz UOJWMRQMXFDBTG-LLVKDONJSA-N 1 0 292.339 1.217 20 5 CDBDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000185770321 390986364 /nfs/dbraw/zinc/98/63/64/390986364.db2.gz NWGHEUWBIZXVLU-GFCCVEGCSA-N 1 0 293.323 1.915 20 5 CDBDRO CCO[C@H]1C[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000574144002 391064553 /nfs/dbraw/zinc/06/45/53/391064553.db2.gz LEGNXVHMVAZDTE-GWCFXTLKSA-N 1 0 266.297 1.870 20 5 CDBDRO O=C(NCC[NH+]1CCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000337397740 391139442 /nfs/dbraw/zinc/13/94/42/391139442.db2.gz JOXRDRZIWYFXRU-UHFFFAOYSA-N 1 0 264.285 1.422 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1 ZINC000268062231 391271654 /nfs/dbraw/zinc/27/16/54/391271654.db2.gz ZCVDSTCJSNKHTO-STQMWFEESA-N 1 0 293.367 1.795 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000520372656 391272814 /nfs/dbraw/zinc/27/28/14/391272814.db2.gz CHWPCUQNHKPWNF-GFCCVEGCSA-N 1 0 280.328 1.003 20 5 CDBDRO C[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[NH2+]1 ZINC000052783457 391333534 /nfs/dbraw/zinc/33/35/34/391333534.db2.gz DIMKZPNDAKKTCE-ZETCQYMHSA-N 1 0 267.314 1.102 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CN(C)Cc1c([N+](=O)[O-])ncn1C ZINC000355789710 391302263 /nfs/dbraw/zinc/30/22/63/391302263.db2.gz QUSYSMCOAHPPGK-NSHDSACASA-N 1 0 281.360 1.244 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000415413193 391405851 /nfs/dbraw/zinc/40/58/51/391405851.db2.gz CYYUYZKILQEBRI-LLVKDONJSA-N 1 0 292.339 1.976 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261664946 391341308 /nfs/dbraw/zinc/34/13/08/391341308.db2.gz FKVQBIQLIRCYIJ-NRUUGDAUSA-N 1 0 277.324 1.711 20 5 CDBDRO COC[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000544416095 391371893 /nfs/dbraw/zinc/37/18/93/391371893.db2.gz WNSCBBALIQIDTH-LBPRGKRZSA-N 1 0 295.339 1.794 20 5 CDBDRO C[C@@H](CCCC[NH3+])NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415376968 391375109 /nfs/dbraw/zinc/37/51/09/391375109.db2.gz ACIKPGQCNOWZSZ-VIFPVBQESA-N 1 0 281.316 1.051 20 5 CDBDRO COCC(C)(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411226778 391412593 /nfs/dbraw/zinc/41/25/93/391412593.db2.gz JHCMVNUXVBEWDF-UHFFFAOYSA-N 1 0 295.339 1.938 20 5 CDBDRO COCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440504400 391398957 /nfs/dbraw/zinc/39/89/57/391398957.db2.gz WOPFDIWIJGCHMI-LLVKDONJSA-N 1 0 280.328 1.513 20 5 CDBDRO COc1ccc(NC(=O)N[C@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000415440276 391431825 /nfs/dbraw/zinc/43/18/25/391431825.db2.gz NXSSJVRYCQSQQL-MRVPVSSYSA-N 1 0 282.300 1.462 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415630886 391470462 /nfs/dbraw/zinc/47/04/62/391470462.db2.gz LXNGPCJJIDNFSD-QMMMGPOBSA-N 1 0 268.248 1.299 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]2C(=O)NC[C@@H]21 ZINC000343611635 391636005 /nfs/dbraw/zinc/63/60/05/391636005.db2.gz KXLGJQDOEZDFBU-KGLIPLIRSA-N 1 0 289.335 1.614 20 5 CDBDRO CC1(C)[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000129630377 391599278 /nfs/dbraw/zinc/59/92/78/391599278.db2.gz VZHAZAIIMJFTCP-OLZOCXBDSA-N 1 0 280.324 1.723 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000189313444 129952004 /nfs/dbraw/zinc/95/20/04/129952004.db2.gz GTRUCNVJMUYXJL-UULPFXLMSA-N 1 0 289.335 1.865 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000354090410 391913216 /nfs/dbraw/zinc/91/32/16/391913216.db2.gz CMXAAVADZSNCKE-UHFFFAOYSA-N 1 0 280.328 1.100 20 5 CDBDRO CN1C[C@H](C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])OC1=O ZINC000496743292 391926705 /nfs/dbraw/zinc/92/67/05/391926705.db2.gz FBNJWERCPBFESC-JTQLQIEISA-N 1 0 293.323 1.870 20 5 CDBDRO Cc1c(C(=O)N2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000041028694 392006765 /nfs/dbraw/zinc/00/67/65/392006765.db2.gz IQZCWCKHJMMUKP-SNVBAGLBSA-N 1 0 263.297 1.467 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000193621339 130638305 /nfs/dbraw/zinc/63/83/05/130638305.db2.gz YUBFJMZYPBGZMS-SMDDNHRTSA-N 1 0 291.351 1.784 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235719436 130953597 /nfs/dbraw/zinc/95/35/97/130953597.db2.gz WNNOINZGIRVKKO-YRDGOHCCSA-N 1 0 289.335 1.865 20 5 CDBDRO [NH3+]CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000237777894 131056461 /nfs/dbraw/zinc/05/64/61/131056461.db2.gz FGSINMCBVALGNG-UHFFFAOYSA-N 1 0 271.704 1.256 20 5 CDBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000248929256 131118921 /nfs/dbraw/zinc/11/89/21/131118921.db2.gz MDHFIZDETZNMER-MFKMUULPSA-N 1 0 250.298 1.798 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000261723338 131164499 /nfs/dbraw/zinc/16/44/99/131164499.db2.gz QJLHZMKLKHQIGK-HFAKWTLXSA-N 1 0 291.351 1.640 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000262726151 131256659 /nfs/dbraw/zinc/25/66/59/131256659.db2.gz HFMGGVBTQFTMLX-APPZFPTMSA-N 1 0 269.326 1.384 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000262765966 131260394 /nfs/dbraw/zinc/26/03/94/131260394.db2.gz JFMGKJHCFLTSOK-WDEREUQCSA-N 1 0 277.324 1.726 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000262854390 131267936 /nfs/dbraw/zinc/26/79/36/131267936.db2.gz SQBLFNDSSBAFGO-CMPLNLGQSA-N 1 0 277.324 1.631 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000263976418 131372226 /nfs/dbraw/zinc/37/22/26/131372226.db2.gz YHZGZTSJULEWLI-JTQLQIEISA-N 1 0 294.359 1.499 20 5 CDBDRO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000442972407 392512512 /nfs/dbraw/zinc/51/25/12/392512512.db2.gz ZRWJUBCEBSNAGU-DYLGSBMWSA-N 1 0 289.335 1.818 20 5 CDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000524775255 392919120 /nfs/dbraw/zinc/91/91/20/392919120.db2.gz ANFAZBDCYJMSEP-VIFPVBQESA-N 1 0 267.285 1.259 20 5 CDBDRO O=[N+]([O-])c1cnc(NCC[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000420210047 392905381 /nfs/dbraw/zinc/90/53/81/392905381.db2.gz SBWWVQWTPFERAQ-VIFPVBQESA-N 1 0 268.292 1.931 20 5 CDBDRO C[NH2+]C[C@H](C)CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000420214301 392905470 /nfs/dbraw/zinc/90/54/70/392905470.db2.gz VGIRHJPOAKWKGD-VIFPVBQESA-N 1 0 275.312 1.227 20 5 CDBDRO [NH3+]CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418296211 392879028 /nfs/dbraw/zinc/87/90/28/392879028.db2.gz JMYFLWGBFVRUJX-UHFFFAOYSA-N 1 0 278.312 1.228 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000422686906 392956711 /nfs/dbraw/zinc/95/67/11/392956711.db2.gz BAMLRXGHCCRWBA-NSHDSACASA-N 1 0 277.324 1.775 20 5 CDBDRO COc1cccc(C(=O)N[C@@H](C)CCCC[NH3+])c1[N+](=O)[O-] ZINC000423653136 392965348 /nfs/dbraw/zinc/96/53/48/392965348.db2.gz YJZJUMHQJMSSAR-JTQLQIEISA-N 1 0 295.339 1.851 20 5 CDBDRO COc1cc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc([N+](=O)[O-])c1C ZINC000423684000 392967042 /nfs/dbraw/zinc/96/70/42/392967042.db2.gz QWJOILUXTGNVAB-BDAKNGLRSA-N 1 0 281.312 1.377 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000194862526 392975314 /nfs/dbraw/zinc/97/53/14/392975314.db2.gz PLMJOKXWODVYSW-LURJTMIESA-N 1 0 291.229 1.691 20 5 CDBDRO C[NH+](C)CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429931160 393088340 /nfs/dbraw/zinc/08/83/40/393088340.db2.gz VSDQZHDKSAVRKI-UHFFFAOYSA-N 1 0 279.340 1.550 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000429973895 393088566 /nfs/dbraw/zinc/08/85/66/393088566.db2.gz OBSMZLRVTQQZJT-AWEZNQCLSA-N 1 0 293.323 1.219 20 5 CDBDRO C[NH2+]C[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430949910 393106971 /nfs/dbraw/zinc/10/69/71/393106971.db2.gz FJJMYXKZALSTDL-GFCCVEGCSA-N 1 0 279.340 1.515 20 5 CDBDRO CC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000282043015 393170343 /nfs/dbraw/zinc/17/03/43/393170343.db2.gz XKJIGWNBHUSNAI-UHFFFAOYSA-N 1 0 256.331 1.583 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000449721629 393138922 /nfs/dbraw/zinc/13/89/22/393138922.db2.gz UJXWVBGODUOURC-ZJUUUORDSA-N 1 0 293.323 1.461 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000494426746 393231892 /nfs/dbraw/zinc/23/18/92/393231892.db2.gz CLRQQLFHWRQHPI-GFCCVEGCSA-N 1 0 272.308 1.896 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@]1(C)CCC[NH2+]C1 ZINC000129367120 139814467 /nfs/dbraw/zinc/81/44/67/139814467.db2.gz ORFRWTXIGODJDV-ZDUSSCGKSA-N 1 0 281.360 1.921 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H](O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000224472536 140173589 /nfs/dbraw/zinc/17/35/89/140173589.db2.gz CMYPPVYYOJQTDB-GMSGAONNSA-N 1 0 260.240 1.871 20 5 CDBDRO Cn1ccc(CC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC000230880111 140214064 /nfs/dbraw/zinc/21/40/64/140214064.db2.gz WYNSXNVIRVAASR-UHFFFAOYSA-N 1 0 260.297 1.661 20 5 CDBDRO [NH3+][C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000423226377 397603014 /nfs/dbraw/zinc/60/30/14/397603014.db2.gz QMJRZHQWMJMTHN-ZDUSSCGKSA-N 1 0 277.324 1.381 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135221280 397909955 /nfs/dbraw/zinc/90/99/55/397909955.db2.gz ZEVDXLGKGRUPFZ-CYBMUJFWSA-N 1 0 277.324 1.477 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000124565697 147449593 /nfs/dbraw/zinc/44/95/93/147449593.db2.gz XAASMAKUJZYPJG-UHFFFAOYSA-N 1 0 265.313 1.585 20 5 CDBDRO Cn1c(C(=O)N[C@H](C[NH3+])C2CCCCC2)ccc1[N+](=O)[O-] ZINC000127376132 147551649 /nfs/dbraw/zinc/55/16/49/147551649.db2.gz FFXJFFXNLFWTMH-LLVKDONJSA-N 1 0 294.355 1.571 20 5 CDBDRO CCOc1ccc(C(=O)NC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000178749303 148084921 /nfs/dbraw/zinc/08/49/21/148084921.db2.gz VSWXISJQQIVTOM-NSHDSACASA-N 1 0 293.323 1.475 20 5 CDBDRO CO[C@@H](C)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000182339065 148255517 /nfs/dbraw/zinc/25/55/17/148255517.db2.gz LACBIKVMHQCCDF-QWRGUYRKSA-N 1 0 280.328 1.511 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000262808264 149115543 /nfs/dbraw/zinc/11/55/43/149115543.db2.gz QKZDBCFFFXMGJB-MNOVXSKESA-N 1 0 277.324 1.726 20 5 CDBDRO CO[C@@H](C[NH3+])CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000262827909 149119259 /nfs/dbraw/zinc/11/92/59/149119259.db2.gz HLYDARRKOCFVMA-GFCCVEGCSA-N 1 0 295.339 1.310 20 5 CDBDRO C[C@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000311061056 149209041 /nfs/dbraw/zinc/20/90/41/149209041.db2.gz IPFKPNJSBAJULQ-ZDUSSCGKSA-N 1 0 250.298 1.845 20 5 CDBDRO C[C@H](NC(=O)[C@@H]([NH3+])CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000312516812 149233604 /nfs/dbraw/zinc/23/36/04/149233604.db2.gz SUSGZKKKFNBRSK-XVKPBYJWSA-N 1 0 287.266 1.755 20 5 CDBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCC[C@@H]1O ZINC000352697333 155372503 /nfs/dbraw/zinc/37/25/03/155372503.db2.gz KYLULUTZOZMWOK-OLZOCXBDSA-N 1 0 290.323 1.816 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000346271713 153120155 /nfs/dbraw/zinc/12/01/55/153120155.db2.gz QRQRSWUJUXESSM-SECBINFHSA-N 1 0 290.323 1.756 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000251700118 286383145 /nfs/dbraw/zinc/38/31/45/286383145.db2.gz IVFRKOPLJLAVBO-MWLCHTKSSA-N 1 0 265.313 1.777 20 5 CDBDRO CC[N@H+](C[C@@H](C)O)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000352185973 155005438 /nfs/dbraw/zinc/00/54/38/155005438.db2.gz HVRHDIIYMUVTLG-GHMZBOCLSA-N 1 0 295.339 1.625 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CC[C@@H](CO)O1 ZINC000353702089 156024591 /nfs/dbraw/zinc/02/45/91/156024591.db2.gz IAKVVIVLBWFMDA-KBPBESRZSA-N 1 0 280.324 1.533 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000376683919 160496017 /nfs/dbraw/zinc/49/60/17/160496017.db2.gz YLHVKBFZBGYZQA-MFKMUULPSA-N 1 0 275.308 1.419 20 5 CDBDRO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000362083890 159065609 /nfs/dbraw/zinc/06/56/09/159065609.db2.gz BVGWHCLFODJPOA-RYUDHWBXSA-N 1 0 280.324 1.534 20 5 CDBDRO COC[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000285308239 196246524 /nfs/dbraw/zinc/24/65/24/196246524.db2.gz SJMSGWFUXPBBTJ-KOLCDFICSA-N 1 0 283.328 1.489 20 5 CDBDRO CN1CC[C@@H]([N@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000285395728 196271338 /nfs/dbraw/zinc/27/13/38/196271338.db2.gz SUXIGRHLRMSTTR-CYBMUJFWSA-N 1 0 277.324 1.300 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C(C)C ZINC000037386079 173168885 /nfs/dbraw/zinc/16/88/85/173168885.db2.gz UTZBBCKXYCBBPC-UHFFFAOYSA-N 1 0 251.286 1.840 20 5 CDBDRO CCN(CC)C(=O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040676134 174373819 /nfs/dbraw/zinc/37/38/19/174373819.db2.gz VFFCRAHBXZRIRI-UHFFFAOYSA-N 1 0 279.340 1.595 20 5 CDBDRO [NH3+]CC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000044512802 175188311 /nfs/dbraw/zinc/18/83/11/175188311.db2.gz ULTLURPNNJPBBC-UHFFFAOYSA-N 1 0 277.324 1.335 20 5 CDBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CC[NH2+]C1 ZINC000071315498 176121488 /nfs/dbraw/zinc/12/14/88/176121488.db2.gz WVQLQLUPPXWZCM-SECBINFHSA-N 1 0 266.301 1.137 20 5 CDBDRO COc1ccc(C[N@H+](C)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000071897029 176292240 /nfs/dbraw/zinc/29/22/40/176292240.db2.gz WFIRCOAZTWPCFR-UHFFFAOYSA-N 1 0 268.313 1.806 20 5 CDBDRO COCC(C)(C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000076496185 177028893 /nfs/dbraw/zinc/02/88/93/177028893.db2.gz CMWVMSOQPCUINY-GFCCVEGCSA-N 1 0 298.339 1.349 20 5 CDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000078727933 177377358 /nfs/dbraw/zinc/37/73/58/177377358.db2.gz SMJFPJHBGOQQRI-LBPRGKRZSA-N 1 0 298.339 1.037 20 5 CDBDRO CN(C(=O)/C=C\c1cccc([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000313486509 260298208 /nfs/dbraw/zinc/29/82/08/260298208.db2.gz CPLHIEJMXZUVJZ-BMWLXYDHSA-N 1 0 289.335 1.804 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[NH+](C)C ZINC000162944504 270242944 /nfs/dbraw/zinc/24/29/44/270242944.db2.gz QTZQLAVRMYHRDD-UHFFFAOYSA-N 1 0 266.301 1.586 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000397765193 270351072 /nfs/dbraw/zinc/35/10/72/270351072.db2.gz JQYAPSGEIIAPAA-UHFFFAOYSA-N 1 0 281.287 1.558 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000264904788 273798806 /nfs/dbraw/zinc/79/88/06/273798806.db2.gz CRMULZQFRDBBMP-JTQLQIEISA-N 1 0 294.311 1.891 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000133314329 273965268 /nfs/dbraw/zinc/96/52/68/273965268.db2.gz AVCAHAHJJZKVIB-VIFPVBQESA-N 1 0 270.720 1.831 20 5 CDBDRO CC(C)[C@](C)([NH2+]Cc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000289404945 275718714 /nfs/dbraw/zinc/71/87/14/275718714.db2.gz SKQCPGWRUQVGKQ-ZDUSSCGKSA-N 1 0 265.313 1.584 20 5 CDBDRO CC(C)c1n[nH]c(C(=O)NCC[NH2+]C(C)(C)C)c1[N+](=O)[O-] ZINC000434396713 275722575 /nfs/dbraw/zinc/72/25/75/275722575.db2.gz CWAUXPCDEYRLFR-UHFFFAOYSA-N 1 0 297.359 1.559 20 5 CDBDRO CCN(CCO)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449253041 276349384 /nfs/dbraw/zinc/34/93/84/276349384.db2.gz WTLQRXPCJBXSOI-ZDUSSCGKSA-N 1 0 295.383 1.430 20 5 CDBDRO COC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000279142761 277262825 /nfs/dbraw/zinc/26/28/25/277262825.db2.gz XTZKZLSABBMJQP-GXTWGEPZSA-N 1 0 280.324 1.878 20 5 CDBDRO C[C@H]([NH2+]C[C@H]1CCCNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000459488473 278264828 /nfs/dbraw/zinc/26/48/28/278264828.db2.gz OOSOGZUBKNXKIX-CMPLNLGQSA-N 1 0 277.324 1.772 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)C(N)=O ZINC000449217780 278298626 /nfs/dbraw/zinc/29/86/26/278298626.db2.gz BRJYOIYQZVPDFM-JTQLQIEISA-N 1 0 279.340 1.627 20 5 CDBDRO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C[NH3+])C1 ZINC000235659067 278363044 /nfs/dbraw/zinc/36/30/44/278363044.db2.gz ZHEXXMZDHQQYGK-GXSJLCMTSA-N 1 0 295.314 1.933 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293623051 278368627 /nfs/dbraw/zinc/36/86/27/278368627.db2.gz HDIXQUUFGOJFNM-BXKDBHETSA-N 1 0 292.339 1.496 20 5 CDBDRO C[C@H](CC(N)=O)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000161371394 279250346 /nfs/dbraw/zinc/25/03/46/279250346.db2.gz DLADFMAVXLFJQM-BDAKNGLRSA-N 1 0 251.286 1.509 20 5 CDBDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)N(C)C ZINC000284110659 279348184 /nfs/dbraw/zinc/34/81/84/279348184.db2.gz NGPJAJIMEUDAOR-ZJUUUORDSA-N 1 0 266.345 1.778 20 5 CDBDRO [NH3+]C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CCCO1 ZINC000420385736 279644485 /nfs/dbraw/zinc/64/44/85/279644485.db2.gz HXDVRLCCPZHBTM-SNVBAGLBSA-N 1 0 283.303 1.284 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000216997369 280087990 /nfs/dbraw/zinc/08/79/90/280087990.db2.gz RPQZIIDBCUARHS-FWWRYZNZSA-N 1 0 277.324 1.708 20 5 CDBDRO C[S@@](=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000280563198 280178102 /nfs/dbraw/zinc/17/81/02/280178102.db2.gz FXQGZYUYDICFJJ-LJQANCHMSA-N 1 0 282.365 1.986 20 5 CDBDRO Cc1c(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cccc1[N+](=O)[O-] ZINC000221459849 280206534 /nfs/dbraw/zinc/20/65/34/280206534.db2.gz UYNMROYLRYQINF-SMDDNHRTSA-N 1 0 289.335 1.727 20 5 CDBDRO C[C@@H](O)CC[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246743426 280301868 /nfs/dbraw/zinc/30/18/68/280301868.db2.gz OIPHJRQRNDDVMZ-DGCLKSJQSA-N 1 0 298.339 1.037 20 5 CDBDRO Cc1c(C[N@@H+](C[C@H](C)O)[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000248957632 280397781 /nfs/dbraw/zinc/39/77/81/280397781.db2.gz QKVWHAPTJBNZSI-MNOVXSKESA-N 1 0 282.340 1.467 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000422887147 280400352 /nfs/dbraw/zinc/40/03/52/280400352.db2.gz YMLHOYDDZKQDKX-NSHDSACASA-N 1 0 277.324 1.775 20 5 CDBDRO Cc1c(CC(=O)N2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000422695712 280748313 /nfs/dbraw/zinc/74/83/13/280748313.db2.gz VRDIMKHFVCKNQI-GFCCVEGCSA-N 1 0 277.324 1.395 20 5 CDBDRO COc1ccc(OCCN(C)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000516066118 280919136 /nfs/dbraw/zinc/91/91/36/280919136.db2.gz SBGKGEMUAXHXSB-NSHDSACASA-N 1 0 295.339 1.276 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248605966 281016932 /nfs/dbraw/zinc/01/69/32/281016932.db2.gz JXTXZHKBTWTJJF-LEWSCRJBSA-N 1 0 289.335 1.713 20 5 CDBDRO Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC000089091383 281194679 /nfs/dbraw/zinc/19/46/79/281194679.db2.gz XIPQKFDTQPNOIT-ZYHUDNBSSA-N 1 0 277.324 1.760 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[NH2+]CC1 ZINC000020362713 281256875 /nfs/dbraw/zinc/25/68/75/281256875.db2.gz TYEXQBMKPXRGIH-UHFFFAOYSA-N 1 0 263.297 1.339 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(F)cc1[N+](=O)[O-] ZINC000086471000 288328609 /nfs/dbraw/zinc/32/86/09/288328609.db2.gz BZWQGEHODWJYRU-DTWKUNHWSA-N 1 0 253.277 1.921 20 5 CDBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCOCC1 ZINC000532588207 282002311 /nfs/dbraw/zinc/00/23/11/282002311.db2.gz DTFKCNNXMJIXQJ-UHFFFAOYSA-N 1 0 293.323 1.305 20 5 CDBDRO CC(C)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CC1 ZINC000533036113 282077936 /nfs/dbraw/zinc/07/79/36/282077936.db2.gz AMCBSAPTYJATKD-CYBMUJFWSA-N 1 0 282.344 1.273 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255627980 289380361 /nfs/dbraw/zinc/38/03/61/289380361.db2.gz DDDPXFNCKIETER-YXVBKTCISA-N 1 0 289.335 1.818 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000555880160 290243749 /nfs/dbraw/zinc/24/37/49/290243749.db2.gz JZYKQXJLQQDTRD-SWHYSGLUSA-N 1 0 279.340 1.263 20 5 CDBDRO COc1ccc(CC(=O)N[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000561768781 293102807 /nfs/dbraw/zinc/10/28/07/293102807.db2.gz ZFCHJOCNGLHAHH-JTQLQIEISA-N 1 0 295.339 1.212 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000563312089 293339173 /nfs/dbraw/zinc/33/91/73/293339173.db2.gz UYQTWROFZCAMMJ-JTQLQIEISA-N 1 0 280.303 1.803 20 5 CDBDRO CC(C)C[C@H](C[NH3+])NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000568370675 294022284 /nfs/dbraw/zinc/02/22/84/294022284.db2.gz AONZXCUPYHZTBK-GFCCVEGCSA-N 1 0 294.355 1.767 20 5 CDBDRO CC[C@H](O)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000572523516 294640196 /nfs/dbraw/zinc/64/01/96/294640196.db2.gz FGALEMRUUCLRMZ-JTQLQIEISA-N 1 0 281.312 1.284 20 5 CDBDRO CC(C)[NH2+]CCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000574756021 295049769 /nfs/dbraw/zinc/04/97/69/295049769.db2.gz HSFLNUTUUWVVBP-UHFFFAOYSA-N 1 0 265.313 1.713 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000261929727 295253575 /nfs/dbraw/zinc/25/35/75/295253575.db2.gz JLNWUFZBGTVNGK-NXEZZACHSA-N 1 0 293.323 1.413 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000269111494 295302506 /nfs/dbraw/zinc/30/25/06/295302506.db2.gz JATFDKJCBUQAFV-MRVPVSSYSA-N 1 0 283.715 1.812 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1c1ccc(F)cc1[N+](=O)[O-] ZINC000216215172 300491077 /nfs/dbraw/zinc/49/10/77/300491077.db2.gz KOANOMRGPLDYOY-DTWKUNHWSA-N 1 0 253.277 1.907 20 5 CDBDRO Cc1nn(C)c(N2CCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000301277593 302786051 /nfs/dbraw/zinc/78/60/51/302786051.db2.gz SGMOHZSDXKPSSA-LBPRGKRZSA-N 1 0 293.371 1.701 20 5 CDBDRO NC(=O)c1ccc(N2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000044559634 303396698 /nfs/dbraw/zinc/39/66/98/303396698.db2.gz VAOJGGLCQSEDBY-JTQLQIEISA-N 1 0 278.312 1.011 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)C2CCOCC2)cc1 ZINC000359581592 304802246 /nfs/dbraw/zinc/80/22/46/304802246.db2.gz NDKDPCRSRDJPSM-OAHLLOKOSA-N 1 0 294.351 1.862 20 5 CDBDRO C[N@@H+]1CC[C@H](c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)C1 ZINC000349912123 316140770 /nfs/dbraw/zinc/14/07/70/316140770.db2.gz JKBVGYMWEMOELW-VIFPVBQESA-N 1 0 289.295 1.646 20 5 CDBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000563761255 316366634 /nfs/dbraw/zinc/36/66/34/316366634.db2.gz ZJAXBAMRZZMOPO-UHFFFAOYSA-N 1 0 295.343 1.311 20 5 CDBDRO Cc1nc(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC000577833972 317412155 /nfs/dbraw/zinc/41/21/55/317412155.db2.gz ZBZONIHICZVULD-NEPJUHHUSA-N 1 0 291.355 1.519 20 5 CDBDRO COc1cccc(C(=O)NC[C@@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000577947412 317436129 /nfs/dbraw/zinc/43/61/29/317436129.db2.gz BCUMGACESKBSLM-VIFPVBQESA-N 1 0 279.296 1.085 20 5 CDBDRO C[C@@H](NC(=O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000193555347 323532212 /nfs/dbraw/zinc/53/22/12/323532212.db2.gz QYNKJDUFRSESOM-SECBINFHSA-N 1 0 251.286 1.334 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000379490854 323601532 /nfs/dbraw/zinc/60/15/32/323601532.db2.gz GQQSXECXAXXLLY-HJLXKUKWSA-N 1 0 289.335 1.817 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000379494216 323601544 /nfs/dbraw/zinc/60/15/44/323601544.db2.gz MTLSXKKEVVAVDV-QHDQMSKJSA-N 1 0 289.335 1.817 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000381361842 323626092 /nfs/dbraw/zinc/62/60/92/323626092.db2.gz KKLSLVDUKDNUMM-BDAKNGLRSA-N 1 0 251.286 1.369 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000382449142 323640514 /nfs/dbraw/zinc/64/05/14/323640514.db2.gz CTPNDEQKMHGREZ-WDEREUQCSA-N 1 0 277.324 1.760 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000382453496 323641674 /nfs/dbraw/zinc/64/16/74/323641674.db2.gz OUFWLSHGJAVFFN-ZYHUDNBSSA-N 1 0 277.324 1.760 20 5 CDBDRO Cc1cc(C(=O)N[C@H](CC[NH3+])C(F)F)ccc1[N+](=O)[O-] ZINC000383431411 323666785 /nfs/dbraw/zinc/66/67/85/323666785.db2.gz CLPIPDPIXFDFFN-SECBINFHSA-N 1 0 287.266 1.616 20 5 CDBDRO COc1ccc(CC(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000579955529 324327120 /nfs/dbraw/zinc/32/71/20/324327120.db2.gz TYIMMJMTPBHZQS-ZJUUUORDSA-N 1 0 295.339 1.388 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000582302350 324950385 /nfs/dbraw/zinc/95/03/85/324950385.db2.gz QPDRWEZNZXUHOP-ZETCQYMHSA-N 1 0 271.704 1.573 20 5 CDBDRO CC(=O)N1CC([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000583641222 325214925 /nfs/dbraw/zinc/21/49/25/325214925.db2.gz IOJUEQRMGBNPQN-XQRVVYSFSA-N 1 0 275.308 1.428 20 5 CDBDRO CC(C)Oc1nc(NCC[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000583822927 325249796 /nfs/dbraw/zinc/24/97/96/325249796.db2.gz CGXWDJHRIWQANG-UHFFFAOYSA-N 1 0 296.371 1.951 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCCC[NH2+]C1CC1 ZINC000036262864 329508624 /nfs/dbraw/zinc/50/86/24/329508624.db2.gz MTQRVDIDKVRCGA-UHFFFAOYSA-N 1 0 277.324 1.396 20 5 CDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1=CCCC1 ZINC001125624938 1159157628 /nfs/dbraw/zinc/15/76/28/1159157628.db2.gz KWQQNQJHPVCTER-UHFFFAOYSA-N 1 0 295.364 1.972 20 5 CDBDRO COc1cccc(-n2ccc(CC[NH3+])n2)c1[N+](=O)[O-] ZINC001167730523 1159582306 /nfs/dbraw/zinc/58/23/06/1159582306.db2.gz KPWDDXAJVNRDNN-UHFFFAOYSA-N 1 0 262.269 1.290 20 5 CDBDRO COc1ccc(C)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001228728533 1160482097 /nfs/dbraw/zinc/48/20/97/1160482097.db2.gz WPTOHPMSMHJDER-GFCCVEGCSA-N 1 0 282.360 1.366 20 5 CDBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000305236113 533767011 /nfs/dbraw/zinc/76/70/11/533767011.db2.gz XHEGUUQJKPEKTA-GHMZBOCLSA-N 1 0 268.317 1.027 20 5 CDBDRO Cc1c(CNC(=O)NC[C@@H]([NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000418085660 533858323 /nfs/dbraw/zinc/85/83/23/533858323.db2.gz YGVAGWCQOYGKKL-GFCCVEGCSA-N 1 0 292.339 1.440 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1nc2ncnc(Cl)c2n1C ZINC001231112472 1161929554 /nfs/dbraw/zinc/92/95/54/1161929554.db2.gz LGDWACTVDJOXHL-MRVPVSSYSA-N 1 0 284.771 1.490 20 5 CDBDRO CC1(C)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000790452570 1162153848 /nfs/dbraw/zinc/15/38/48/1162153848.db2.gz QXIFYILETMBJJI-CHWSQXEVSA-N 1 0 280.324 1.331 20 5 CDBDRO CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000058233626 523773881 /nfs/dbraw/zinc/77/38/81/523773881.db2.gz NXDCILLTBOLIBV-URWSZGRFSA-N 1 0 275.308 1.428 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CCC([NH3+])CC1 ZINC000051692569 524904631 /nfs/dbraw/zinc/90/46/31/524904631.db2.gz STDMXVVRJJBQQK-UHFFFAOYSA-N 1 0 277.324 1.903 20 5 CDBDRO Cc1cc(NC[C@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000068806818 525277387 /nfs/dbraw/zinc/27/73/87/525277387.db2.gz QTUJZPODLLLJSM-ZDUSSCGKSA-N 1 0 278.356 1.561 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[NH2+]C1 ZINC000052813037 525576671 /nfs/dbraw/zinc/57/66/71/525576671.db2.gz IHAKOYFBJMSNDH-SNVBAGLBSA-N 1 0 250.302 1.710 20 5 CDBDRO C[C@H](Nc1ncc([N+](=O)[O-])s1)[C@@H]1CCC[NH2+]C1 ZINC000226779503 525683757 /nfs/dbraw/zinc/68/37/57/525683757.db2.gz XRVSFJPPLBQECU-JGVFFNPUSA-N 1 0 256.331 1.851 20 5 CDBDRO C[C@H](O)C[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000247010874 525771971 /nfs/dbraw/zinc/77/19/71/525771971.db2.gz CEAFPOMDMKRMQQ-OLZOCXBDSA-N 1 0 293.367 1.482 20 5 CDBDRO O=C(COc1ccccc1[N+](=O)[O-])NCC1=CC[NH2+]CC1 ZINC000186368050 526996188 /nfs/dbraw/zinc/99/61/88/526996188.db2.gz OFAMAGHKEYRGHP-UHFFFAOYSA-N 1 0 291.307 1.010 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000156306986 527260519 /nfs/dbraw/zinc/26/05/19/527260519.db2.gz IZMNZVYZHLQDSN-NEPJUHHUSA-N 1 0 290.323 1.953 20 5 CDBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000051872983 527373767 /nfs/dbraw/zinc/37/37/67/527373767.db2.gz FXBKLKONVOVZDP-SECBINFHSA-N 1 0 267.241 1.634 20 5 CDBDRO CC(C)(C)[C@@H](CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000193095972 535047857 /nfs/dbraw/zinc/04/78/57/535047857.db2.gz GQAKPXSFPXRYML-QWHCGFSZSA-N 1 0 282.340 1.625 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000422768752 535427102 /nfs/dbraw/zinc/42/71/02/535427102.db2.gz OBAWEEXZDXQVRZ-VIFPVBQESA-N 1 0 279.296 1.167 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CC[NH3+] ZINC000415659199 535429118 /nfs/dbraw/zinc/42/91/18/535429118.db2.gz ONODAIURUAVXGG-SECBINFHSA-N 1 0 296.327 1.852 20 5 CDBDRO CCc1nn(C)c(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000250144212 536182296 /nfs/dbraw/zinc/18/22/96/536182296.db2.gz XQUQXUHNOGWLPB-MNOVXSKESA-N 1 0 293.371 1.929 20 5 CDBDRO CNC(=O)c1ccc(NC[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000213391022 536434359 /nfs/dbraw/zinc/43/43/59/536434359.db2.gz GEEMXHYIPHNNAO-JTQLQIEISA-N 1 0 278.312 1.118 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)C1C[NH2+]C1 ZINC000422714789 536955502 /nfs/dbraw/zinc/95/55/02/536955502.db2.gz LLKGLGXREDSPEY-VIFPVBQESA-N 1 0 265.313 1.301 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000729263846 574742641 /nfs/dbraw/zinc/74/26/41/574742641.db2.gz LTDWPICALGYBJY-JTQLQIEISA-N 1 0 275.312 1.606 20 5 CDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000733167659 575102754 /nfs/dbraw/zinc/10/27/54/575102754.db2.gz YDEKJHHPBZCKMW-CYBMUJFWSA-N 1 0 279.340 1.911 20 5 CDBDRO C[S@](=O)CCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000735085235 575423896 /nfs/dbraw/zinc/42/38/96/575423896.db2.gz MOGVHRKKAZDCLP-OCTSTCLRSA-N 1 0 282.365 1.966 20 5 CDBDRO COc1cc(C[NH2+][C@H](CCO)C2CC2)c([N+](=O)[O-])cc1F ZINC000771805686 575614524 /nfs/dbraw/zinc/61/45/24/575614524.db2.gz SPMDPHDTZVDPDO-GFCCVEGCSA-N 1 0 298.314 1.993 20 5 CDBDRO O=[N+]([O-])c1c(N2CC[C@@H]([NH+]3CC=CC3)C2)nc2ccccn21 ZINC000742416483 576601502 /nfs/dbraw/zinc/60/15/02/576601502.db2.gz YZPMOZHSOJQYHW-GFCCVEGCSA-N 1 0 299.334 1.693 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccccn2)c1 ZINC000749645118 576956535 /nfs/dbraw/zinc/95/65/35/576956535.db2.gz GYKMPXZJUSVIDW-AWEZNQCLSA-N 1 0 273.292 1.813 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2ccccn2)c1 ZINC000749646912 576956652 /nfs/dbraw/zinc/95/66/52/576956652.db2.gz NLDKKUYBYBWAFW-OAHLLOKOSA-N 1 0 287.319 1.856 20 5 CDBDRO C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000749695230 576958369 /nfs/dbraw/zinc/95/83/69/576958369.db2.gz YSVAGRPIBPNONN-RISCZKNCSA-N 1 0 279.340 1.264 20 5 CDBDRO Cc1cc(F)cc(C(=O)NC[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000758484240 577110844 /nfs/dbraw/zinc/11/08/44/577110844.db2.gz CMBMDMXUOCRWIM-LLVKDONJSA-N 1 0 295.314 1.866 20 5 CDBDRO C[C@@H](CNc1ccc2nonc2c1[N+](=O)[O-])[NH+](C)C ZINC000892029631 617423801 /nfs/dbraw/zinc/42/38/01/617423801.db2.gz XSXKJUIMGNUWRU-ZETCQYMHSA-N 1 0 265.273 1.493 20 5 CDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000931044379 617588974 /nfs/dbraw/zinc/58/89/74/617588974.db2.gz APRWGLZBZLRDIA-WFASDCNBSA-N 1 0 293.367 1.998 20 5 CDBDRO COc1c(O)ccc(CN[C@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000892762586 617709760 /nfs/dbraw/zinc/70/97/60/617709760.db2.gz FUMNYBPMNXQUEA-SNVBAGLBSA-N 1 0 297.355 1.739 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000893515189 618017680 /nfs/dbraw/zinc/01/76/80/618017680.db2.gz INEFQWJBGFJMAB-NSHDSACASA-N 1 0 279.344 1.757 20 5 CDBDRO COc1c(O)ccc(CN(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000894448380 618890947 /nfs/dbraw/zinc/89/09/47/618890947.db2.gz AOBWDKKFDSFBQY-UHFFFAOYSA-N 1 0 297.355 1.693 20 5 CDBDRO C[C@@H](Nc1sccc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC000895246681 619491611 /nfs/dbraw/zinc/49/16/11/619491611.db2.gz PBKSSZDKBGQNOW-KOLCDFICSA-N 1 0 284.385 1.703 20 5 CDBDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000895328485 619566383 /nfs/dbraw/zinc/56/63/83/619566383.db2.gz GNBIGCOIPBLBQE-OZQCQIJRSA-N 1 0 292.335 1.426 20 5 CDBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC[N+](=O)[O-])C1 ZINC000899873984 622500480 /nfs/dbraw/zinc/50/04/80/622500480.db2.gz XAIXMSPGGFDYNE-GXTWGEPZSA-N 1 0 263.341 1.688 20 5 CDBDRO Cc1ccc(NC(=O)C23CC[NH+](CC2)C3)cc1[N+](=O)[O-] ZINC000899909856 622531648 /nfs/dbraw/zinc/53/16/48/622531648.db2.gz BDKIWXBODLMADW-UHFFFAOYSA-N 1 0 275.308 1.938 20 5 CDBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cn(C)nn1 ZINC000902889393 625578557 /nfs/dbraw/zinc/57/85/57/625578557.db2.gz IQWFLRQVIRZOEO-SNVBAGLBSA-N 1 0 275.312 1.617 20 5 CDBDRO C[NH+](C)[C@@H](CNCC[N+](=O)[O-])Cc1ccccc1 ZINC000905023259 626389408 /nfs/dbraw/zinc/38/94/08/626389408.db2.gz FAJYZOCMESWXRH-CYBMUJFWSA-N 1 0 251.330 1.026 20 5 CDBDRO CCC(CC)(C[NH2+]CC[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000905143579 626655276 /nfs/dbraw/zinc/65/52/76/626655276.db2.gz CENAZEXAAFVTIF-UHFFFAOYSA-N 1 0 289.376 1.936 20 5 CDBDRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]CC[N+](=O)[O-] ZINC000905182571 626665561 /nfs/dbraw/zinc/66/55/61/626665561.db2.gz XNVRSONJKDZZEI-VIFPVBQESA-N 1 0 261.322 1.014 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000905175936 626679828 /nfs/dbraw/zinc/67/98/28/626679828.db2.gz OSFGSPYGCGAZOZ-JTQLQIEISA-N 1 0 252.270 1.083 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000905206291 626691736 /nfs/dbraw/zinc/69/17/36/626691736.db2.gz BUVFUXXHHXFVLN-STQMWFEESA-N 1 0 268.288 1.912 20 5 CDBDRO CC(C)Oc1ccc([C@@H](C[NH2+]CC[N+](=O)[O-])N(C)C)cc1 ZINC000905263377 626712670 /nfs/dbraw/zinc/71/26/70/626712670.db2.gz VAMIJFDCHCNCFT-OAHLLOKOSA-N 1 0 295.383 1.943 20 5 CDBDRO C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[N+](=O)[O-] ZINC000905274704 626730520 /nfs/dbraw/zinc/73/05/20/626730520.db2.gz PWXAVLZOGBIKOF-JTQLQIEISA-N 1 0 275.349 1.546 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCO[C@H]2CCOC2)c1 ZINC000905608869 626873171 /nfs/dbraw/zinc/87/31/71/626873171.db2.gz KPLMUNJJEOEEKS-KBPBESRZSA-N 1 0 296.323 1.023 20 5 CDBDRO C[C@H]([NH2+][C@H]1COC[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000905864795 627008370 /nfs/dbraw/zinc/00/83/70/627008370.db2.gz GGSIDADHJIZQTG-NRUUGDAUSA-N 1 0 293.323 1.546 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH2+]C1CC1 ZINC000911752900 629471437 /nfs/dbraw/zinc/47/14/37/629471437.db2.gz SYSIXLZUJZNFDH-UHFFFAOYSA-N 1 0 295.364 1.799 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)C[NH3+] ZINC000911811972 629544306 /nfs/dbraw/zinc/54/43/06/629544306.db2.gz FQEJGSARLMBCKP-QMMMGPOBSA-N 1 0 283.353 1.736 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000912271889 629880969 /nfs/dbraw/zinc/88/09/69/629880969.db2.gz GGGSZGCQJDMWAM-CYZMBNFOSA-N 1 0 275.308 1.352 20 5 CDBDRO C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000914239342 631280745 /nfs/dbraw/zinc/28/07/45/631280745.db2.gz BCTHIIRKXGLWSD-GWCFXTLKSA-N 1 0 292.339 1.659 20 5 CDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000915624573 631779595 /nfs/dbraw/zinc/77/95/95/631779595.db2.gz MJSJVISZUWHBFZ-NSHDSACASA-N 1 0 282.344 1.249 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CNC(=O)C2)c([N+](=O)[O-])c1 ZINC001170314490 1162334431 /nfs/dbraw/zinc/33/44/31/1162334431.db2.gz VYPFXEOQNIGWIL-ONGXEEELSA-N 1 0 293.323 1.013 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@H]([NH3+])[C@H]2C)n1 ZINC001157731973 1162360889 /nfs/dbraw/zinc/36/08/89/1162360889.db2.gz HQHHCKHJGAFANG-SVRRBLITSA-N 1 0 285.735 1.663 20 5 CDBDRO [NH3+][C@H]1CCc2nn(-c3ncc(F)cc3[N+](=O)[O-])cc2C1 ZINC001157979688 1162639864 /nfs/dbraw/zinc/63/98/64/1162639864.db2.gz HJDIARKYHPMZQS-VIFPVBQESA-N 1 0 277.259 1.131 20 5 CDBDRO C[C@H]1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)C[C@H](C)[NH2+]1 ZINC001158180771 1162764616 /nfs/dbraw/zinc/76/46/16/1162764616.db2.gz ZUZDDQBPWXXOIE-IUCAKERBSA-N 1 0 275.312 1.658 20 5 CDBDRO CCOc1cnc(N[C@H](C)[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC001170564263 1162927967 /nfs/dbraw/zinc/92/79/67/1162927967.db2.gz OTQWSQWJIJHLSP-BXKDBHETSA-N 1 0 296.327 1.177 20 5 CDBDRO C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2c1)[C@H]1C[NH2+]CCO1 ZINC001170571761 1162966134 /nfs/dbraw/zinc/96/61/34/1162966134.db2.gz ZRFQZGXLRUMPCP-GXSJLCMTSA-N 1 0 291.311 1.031 20 5 CDBDRO [NH3+][C@H]1CCc2nn(-c3ccc4nc[nH]c4c3[N+](=O)[O-])cc2C1 ZINC001168821969 1161988759 /nfs/dbraw/zinc/98/87/59/1161988759.db2.gz UMTFJYPVWIAZTE-VIFPVBQESA-N 1 0 298.306 1.473 20 5 CDBDRO C[C@@H](NC(=O)[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001574099005 1170879824 /nfs/dbraw/zinc/87/98/24/1170879824.db2.gz PJJJSPJUFNCVTG-KOLCDFICSA-N 1 0 263.297 1.382 20 5 CDBDRO CC1(C)CN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC001576452836 1171425277 /nfs/dbraw/zinc/42/52/77/1171425277.db2.gz GVJWBXNFZCSBIW-GFCCVEGCSA-N 1 0 292.339 1.474 20 5 CDBDRO CN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC001578378006 1171891280 /nfs/dbraw/zinc/89/12/80/1171891280.db2.gz AMQMPXKNZWJXLV-LBPRGKRZSA-N 1 0 295.314 1.472 20 5 CDBDRO Cc1cc(Cl)c(C(=O)N2CCC23C[NH2+]C3)cc1[N+](=O)[O-] ZINC001579605322 1172223270 /nfs/dbraw/zinc/22/32/70/1172223270.db2.gz PVWYLLQVEYQUDK-UHFFFAOYSA-N 1 0 295.726 1.745 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC[C@H]([NH3+])C2)c1F ZINC001579642364 1172233074 /nfs/dbraw/zinc/23/30/74/1172233074.db2.gz BXCKYKVIMVRUFC-QMMMGPOBSA-N 1 0 299.277 1.745 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC001580411628 1172426775 /nfs/dbraw/zinc/42/67/75/1172426775.db2.gz GXYNPUVLOONEPA-JTQLQIEISA-N 1 0 299.277 1.636 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC001580655442 1172502360 /nfs/dbraw/zinc/50/23/60/1172502360.db2.gz XFXFCSBNAZUXQM-SECBINFHSA-N 1 0 266.301 1.042 20 5 CDBDRO O=[N+]([O-])c1sccc1N[C@@H]1CC2(C[NH2+]C2)n2ccnc21 ZINC001580876117 1172558020 /nfs/dbraw/zinc/55/80/20/1172558020.db2.gz BMLZEDOFGSVXNI-SECBINFHSA-N 1 0 291.336 1.708 20 5 CDBDRO [NH3+]CCSCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000096751726 1174581434 /nfs/dbraw/zinc/58/14/34/1174581434.db2.gz VGYPXBGTABDIBD-UHFFFAOYSA-N 1 0 289.744 1.879 20 5 CDBDRO O=C(NC/C=C/C[NH2+]Cc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001754120486 1185473955 /nfs/dbraw/zinc/47/39/55/1185473955.db2.gz XWHBZLCSWRCXTJ-KOABKASLSA-N 1 0 289.335 1.114 20 5 CDBDRO Cc1ccnc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC001164635765 719171095 /nfs/dbraw/zinc/17/10/95/719171095.db2.gz LSBNGKCCAYIVHP-MNOVXSKESA-N 1 0 264.329 1.827 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001164640908 719214632 /nfs/dbraw/zinc/21/46/32/719214632.db2.gz UDCMXAGPVXAMLG-NXEZZACHSA-N 1 0 289.339 2.000 20 5 CDBDRO C[N@@H+]1CCO[C@@H]2CN(c3cc([N+](=O)[O-])cc(Cl)n3)C[C@@H]21 ZINC001164669456 719370878 /nfs/dbraw/zinc/37/08/78/719370878.db2.gz QCJWQTNJIMEYQX-VHSXEESVSA-N 1 0 298.730 1.162 20 5 CDBDRO C[N@@H+]1CCO[C@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000154058993 719372043 /nfs/dbraw/zinc/37/20/43/719372043.db2.gz VNSLRFGAIYZINC-QWRGUYRKSA-N 1 0 298.730 1.162 20 5 CDBDRO CCOC[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591975 1164452616 /nfs/dbraw/zinc/45/26/16/1164452616.db2.gz NIEDOYXQYZVSRP-WFASDCNBSA-N 1 0 294.351 1.987 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1nncn1C ZINC000866229813 1164754675 /nfs/dbraw/zinc/75/46/75/1164754675.db2.gz VCSRLBHKYLFMRO-VIFPVBQESA-N 1 0 293.302 1.583 20 5 CDBDRO C[C@@H](CO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866274601 1164761859 /nfs/dbraw/zinc/76/18/59/1164761859.db2.gz OTLZJMUVMPFZMN-IUCAKERBSA-N 1 0 256.277 1.635 20 5 CDBDRO CN(CCC1CCOCC1)Cn1cc([N+](=O)[O-])cn1 ZINC000121204291 1164819493 /nfs/dbraw/zinc/81/94/93/1164819493.db2.gz GIJMKDSCJFFWQY-UHFFFAOYSA-N 1 0 268.317 1.497 20 5 CDBDRO CCCNC(=O)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873008669 1165502732 /nfs/dbraw/zinc/50/27/32/1165502732.db2.gz TXPQNDCKICZDDC-UHFFFAOYSA-N 1 0 279.340 1.827 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(CO)COC1 ZINC000873093101 1165509703 /nfs/dbraw/zinc/50/97/03/1165509703.db2.gz MNKIMRKCECFEPW-UHFFFAOYSA-N 1 0 280.324 1.310 20 5 CDBDRO C[C@@H]([NH3+])CN(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000877101817 1165975205 /nfs/dbraw/zinc/97/52/05/1165975205.db2.gz RYEQRFVSANTXAC-SNVBAGLBSA-N 1 0 279.340 1.678 20 5 CDBDRO [NH3+]CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001574278162 1167635443 /nfs/dbraw/zinc/63/54/43/1167635443.db2.gz LPBBPHUPOWMIDJ-UHFFFAOYSA-N 1 0 288.101 1.046 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001576096804 1167657610 /nfs/dbraw/zinc/65/76/10/1167657610.db2.gz NGNFVGZZBYDWMM-HTQZYQBOSA-N 1 0 285.731 1.643 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCO1 ZINC001173215648 912296973 /nfs/dbraw/zinc/29/69/73/912296973.db2.gz XQYITOQRFZRAHU-ZWNOBZJWSA-N 1 0 250.298 1.904 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC001173215765 912298258 /nfs/dbraw/zinc/29/82/58/912298258.db2.gz ZKXQFMXEHRAIRS-WCQYABFASA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCOCCO ZINC001173220820 912303844 /nfs/dbraw/zinc/30/38/44/912303844.db2.gz GZIVCIVVYSJXAZ-GFCCVEGCSA-N 1 0 282.340 1.514 20 5 CDBDRO C[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000088060186 912597798 /nfs/dbraw/zinc/59/77/98/912597798.db2.gz RHUDMEGMQWJNBA-VIFPVBQESA-N 1 0 253.277 1.528 20 5 CDBDRO [NH3+]Cc1cnc2c(ccn2-c2ccc([N+](=O)[O-])cn2)c1 ZINC001167301408 895168692 /nfs/dbraw/zinc/16/86/92/895168692.db2.gz DWMQIPVBJLWXEY-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO C[N@H+](C[C@H]1CCOC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000176093020 896324183 /nfs/dbraw/zinc/32/41/83/896324183.db2.gz JMOQJRYNVPTYQS-LLVKDONJSA-N 1 0 290.323 1.870 20 5 CDBDRO COc1c(F)cc(-n2cccc2C[NH3+])cc1[N+](=O)[O-] ZINC001167593629 896952385 /nfs/dbraw/zinc/95/23/85/896952385.db2.gz WMLDDDXXARAWEQ-UHFFFAOYSA-N 1 0 265.244 1.992 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1cnc(Cl)cc1[N+](=O)[O-] ZINC001167692812 898310669 /nfs/dbraw/zinc/31/06/69/898310669.db2.gz NORALLMZLORNTP-UHFFFAOYSA-N 1 0 279.687 1.372 20 5 CDBDRO C[C@@H](O)C[N@H+](CCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000311932022 899107205 /nfs/dbraw/zinc/10/72/05/899107205.db2.gz WBNCMEXXYGPDLJ-SECBINFHSA-N 1 0 288.731 1.423 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c4nonc43)C[C@@H]21 ZINC000828987569 900883340 /nfs/dbraw/zinc/88/33/40/900883340.db2.gz HREWWCOOQQFOII-KCJUWKMLSA-N 1 0 289.295 1.271 20 5 CDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1cc([N+](=O)[O-])cc(F)c1C ZINC001167900657 901840803 /nfs/dbraw/zinc/84/08/03/901840803.db2.gz DTHVPEPKRCGLBA-LLVKDONJSA-N 1 0 299.302 1.735 20 5 CDBDRO C[NH2+]CC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000237179550 905274928 /nfs/dbraw/zinc/27/49/28/905274928.db2.gz LOFDVRQHOLUQLT-UHFFFAOYSA-N 1 0 271.704 1.426 20 5 CDBDRO C[C@H]([NH2+]C[C@H]1CCCNC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840825967 906401168 /nfs/dbraw/zinc/40/11/68/906401168.db2.gz NXDGNJURSHDSLL-GXSJLCMTSA-N 1 0 292.339 1.354 20 5 CDBDRO CC(C)([NH3+])CCc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000843233461 921378189 /nfs/dbraw/zinc/37/81/89/921378189.db2.gz LKOIZAXWUQHGNW-UHFFFAOYSA-N 1 0 270.333 1.727 20 5 CDBDRO [NH3+][C@H]1C[C@@H](c2nc(-c3ccc([N+](=O)[O-])o3)no2)C1 ZINC000843238417 921475893 /nfs/dbraw/zinc/47/58/93/921475893.db2.gz QYZYOTSYEYZYDS-OLQVQODUSA-N 1 0 250.214 1.443 20 5 CDBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cn(C)nn1 ZINC000715878578 910083272 /nfs/dbraw/zinc/08/32/72/910083272.db2.gz LUIFVMOUZFHWDO-JTQLQIEISA-N 1 0 275.312 1.617 20 5 CDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C1CC[NH2+]CC1 ZINC000716598255 910656316 /nfs/dbraw/zinc/65/63/16/910656316.db2.gz BPZISEGHWSXHCO-MRVPVSSYSA-N 1 0 267.285 1.306 20 5 CDBDRO CC[C@@]([NH3+])(CO)N[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904304 912038243 /nfs/dbraw/zinc/03/82/43/912038243.db2.gz WURFJKGUFHUHFN-ZFWWWQNUSA-N 1 0 293.367 1.489 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1(CO)CC1)CC2 ZINC001172898173 912039631 /nfs/dbraw/zinc/03/96/31/912039631.db2.gz HIIVXIBYAJWWAK-CYBMUJFWSA-N 1 0 276.336 1.957 20 5 CDBDRO CC(C)(CCC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)[N+](=O)[O-] ZINC000830529133 936462646 /nfs/dbraw/zinc/46/26/46/936462646.db2.gz DGRBCEIWBLBSHA-ZDUSSCGKSA-N 1 0 297.399 1.955 20 5 CDBDRO C[C@@H](CCCO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843079705 919431179 /nfs/dbraw/zinc/43/11/79/919431179.db2.gz LXOSGLJQSNSKHW-GWCFXTLKSA-N 1 0 268.313 1.379 20 5 CDBDRO C[NH+](C)C[C@H](O)CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000827373296 936589725 /nfs/dbraw/zinc/58/97/25/936589725.db2.gz IBFFIZHSWDCKHU-SNVBAGLBSA-N 1 0 290.323 1.477 20 5 CDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000827674467 936603186 /nfs/dbraw/zinc/60/31/86/936603186.db2.gz IUIOZIGCIREYMN-QWRGUYRKSA-N 1 0 271.361 1.373 20 5 CDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C2)C1 ZINC000832811342 936603739 /nfs/dbraw/zinc/60/37/39/936603739.db2.gz SVBJNFLCEPJHAY-CQSZACIVSA-N 1 0 283.372 1.376 20 5 CDBDRO C[C@@H]([NH2+]CC[S@@](C)=O)c1ccc([N+](=O)[O-])cc1 ZINC000131420084 921975278 /nfs/dbraw/zinc/97/52/78/921975278.db2.gz HJFLSOQGJJSAIY-XLFHBGCDSA-N 1 0 256.327 1.624 20 5 CDBDRO COC(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000701694150 922415808 /nfs/dbraw/zinc/41/58/08/922415808.db2.gz UYPWJGFJWYGNHK-UHFFFAOYSA-N 1 0 285.275 1.522 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](Nc2ncnc(Cl)c2[N+](=O)[O-])C1 ZINC001162383775 922426579 /nfs/dbraw/zinc/42/65/79/922426579.db2.gz ASJMTXMVMRULJD-RQJHMYQMSA-N 1 0 271.708 1.720 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000704354042 922868233 /nfs/dbraw/zinc/86/82/33/922868233.db2.gz OZSRQFKJBVPJNY-LURJTMIESA-N 1 0 257.677 1.325 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923373702 923790755 /nfs/dbraw/zinc/79/07/55/923790755.db2.gz OZRFVHCVRKMPOG-FKGLVLAHSA-N 1 0 293.367 1.604 20 5 CDBDRO CCn1ncc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)n1 ZINC000839096863 936903710 /nfs/dbraw/zinc/90/37/10/936903710.db2.gz LRXUDFWOPSAQKE-UHFFFAOYSA-N 1 0 290.327 1.172 20 5 CDBDRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccsc1 ZINC000839512676 936913735 /nfs/dbraw/zinc/91/37/35/936913735.db2.gz IBLGKOHQBPLUNE-MXWKQRLJSA-N 1 0 283.353 1.132 20 5 CDBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839471830 936912886 /nfs/dbraw/zinc/91/28/86/936912886.db2.gz YAPUEHRWMCDOJW-IJLUTSLNSA-N 1 0 269.345 1.032 20 5 CDBDRO Cc1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000839594574 936916486 /nfs/dbraw/zinc/91/64/86/936916486.db2.gz VTFODIWIVZJFDJ-MGPQQGTHSA-N 1 0 291.351 1.379 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000104188912 925308201 /nfs/dbraw/zinc/30/82/01/925308201.db2.gz DWPUKVYQLJHERD-UHFFFAOYSA-N 1 0 269.276 1.368 20 5 CDBDRO CN1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](C[NH3+])C1 ZINC000843121036 937114179 /nfs/dbraw/zinc/11/41/79/937114179.db2.gz YXDRLVPYVIVFMJ-GFCCVEGCSA-N 1 0 298.774 1.323 20 5 CDBDRO CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001086287435 926946362 /nfs/dbraw/zinc/94/63/62/926946362.db2.gz BCGRPUQNLCPAFA-HOMQSWHASA-N 1 0 283.353 1.661 20 5 CDBDRO Cc1cc(F)cc(C(=O)NCC2([NH3+])CCC2)c1[N+](=O)[O-] ZINC000843454651 937151968 /nfs/dbraw/zinc/15/19/68/937151968.db2.gz VBSMXWWIGHBCMB-UHFFFAOYSA-N 1 0 281.287 1.654 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](C)[NH2+]C1CC1)CC2 ZINC000843495479 937156506 /nfs/dbraw/zinc/15/65/06/937156506.db2.gz SNYREZMWNJTPNR-SNVBAGLBSA-N 1 0 289.335 1.933 20 5 CDBDRO Cc1cc(C(=O)N[C@H](C)C[C@H](C)[NH3+])c(N)c([N+](=O)[O-])c1 ZINC000843506050 937157016 /nfs/dbraw/zinc/15/70/16/937157016.db2.gz HWVKIEPVIQMUBB-DTWKUNHWSA-N 1 0 280.328 1.341 20 5 CDBDRO COc1cccc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)c1[N+](=O)[O-] ZINC001168818951 927490488 /nfs/dbraw/zinc/49/04/88/927490488.db2.gz BIRUQZPHABDUOB-SNVBAGLBSA-N 1 0 288.307 1.605 20 5 CDBDRO [NH3+][C@H]1CCN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001156229137 927498722 /nfs/dbraw/zinc/49/87/22/927498722.db2.gz UVMXUTWIYVSRIB-YFKPBYRVSA-N 1 0 277.111 1.834 20 5 CDBDRO [NH3+][C@@H]1CCN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1 ZINC001156228503 927506102 /nfs/dbraw/zinc/50/61/02/927506102.db2.gz GBTSJCDZKKRGID-ZCFIWIBFSA-N 1 0 292.673 1.726 20 5 CDBDRO COc1ccc([C@H](CO)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168978451 927565935 /nfs/dbraw/zinc/56/59/35/927565935.db2.gz SIQFFRGFPIBMGY-WHOFXGATSA-N 1 0 294.351 1.764 20 5 CDBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cnn(C)c1 ZINC001168978039 927566021 /nfs/dbraw/zinc/56/60/21/927566021.db2.gz NWRPTMWFSRAGJK-NHCYSSNCSA-N 1 0 252.318 1.516 20 5 CDBDRO COC(=O)c1cncc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168985436 927574513 /nfs/dbraw/zinc/57/45/13/927574513.db2.gz FGCBCOHXVFYXEH-GXFFZTMASA-N 1 0 293.323 1.403 20 5 CDBDRO COc1ccc(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1O ZINC001168966062 927589520 /nfs/dbraw/zinc/58/95/20/927589520.db2.gz GAUDYDGQPBVNOX-CHWSQXEVSA-N 1 0 294.351 1.978 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cncn2CCF)C1 ZINC001169004570 927608413 /nfs/dbraw/zinc/60/84/13/927608413.db2.gz REWGAEUBAFIZJB-WDEREUQCSA-N 1 0 270.308 1.388 20 5 CDBDRO CCN1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169006012 927609285 /nfs/dbraw/zinc/60/92/85/927609285.db2.gz FDZWYQYUCKQURB-STQMWFEESA-N 1 0 255.362 1.459 20 5 CDBDRO CCOC(=O)c1cn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)nc1C[NH3+] ZINC001169008051 927611341 /nfs/dbraw/zinc/61/13/41/927611341.db2.gz RGSCSTYWQHZMQN-NXEZZACHSA-N 1 0 296.327 1.136 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cnn3ccccc23)C1 ZINC001169008676 927613322 /nfs/dbraw/zinc/61/33/22/927613322.db2.gz TVINTHRVPQDLSN-WCQYABFASA-N 1 0 274.324 1.869 20 5 CDBDRO C[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169011436 927616545 /nfs/dbraw/zinc/61/65/45/927616545.db2.gz KIFKDNOFAONIQB-UTUOFQBUSA-N 1 0 254.330 1.733 20 5 CDBDRO C[C@@]1(O)CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169011300 927617412 /nfs/dbraw/zinc/61/74/12/927617412.db2.gz JOOZYANFTGECEY-NOOOWODRSA-N 1 0 260.309 1.227 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c(OC)n1 ZINC001168987325 927622117 /nfs/dbraw/zinc/62/21/17/927622117.db2.gz IGTOSYWUIVGTGQ-CMPLNLGQSA-N 1 0 295.339 1.634 20 5 CDBDRO CC(=O)NCCCCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168989289 927626953 /nfs/dbraw/zinc/62/69/53/927626953.db2.gz VPQMIKYTUOEBEI-CHWSQXEVSA-N 1 0 271.361 1.328 20 5 CDBDRO CCCO[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169027014 927631946 /nfs/dbraw/zinc/63/19/46/927631946.db2.gz OSLAGICKGBXCCV-JHJVBQTASA-N 1 0 256.346 1.933 20 5 CDBDRO CC1(C)CN(C2C[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)CCO1 ZINC001169032998 927637143 /nfs/dbraw/zinc/63/71/43/927637143.db2.gz AWPBIMDZOQWGEX-QWHCGFSZSA-N 1 0 297.399 1.227 20 5 CDBDRO C[C@@H]1CO[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]12 ZINC001169035836 927643786 /nfs/dbraw/zinc/64/37/86/927643786.db2.gz DAKIPXPBZNLSLP-NZEXEKPDSA-N 1 0 254.330 1.399 20 5 CDBDRO CC1(C(N)=O)CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169035237 927644293 /nfs/dbraw/zinc/64/42/93/927644293.db2.gz JPVRSMNERDONPV-GHMZBOCLSA-N 1 0 269.345 1.019 20 5 CDBDRO COC(=O)C[C@@H]1CCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035992 927645287 /nfs/dbraw/zinc/64/52/87/927645287.db2.gz DZYZEOSMWPANCU-SRVKXCTJSA-N 1 0 270.329 1.459 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCc3nccn3CC2)C1 ZINC001169036571 927646951 /nfs/dbraw/zinc/64/69/51/927646951.db2.gz GSVSPCTUPHGUSE-NEPJUHHUSA-N 1 0 264.329 1.187 20 5 CDBDRO CC1(C)C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCCO1 ZINC001169037756 927647781 /nfs/dbraw/zinc/64/77/81/927647781.db2.gz UCEHNNNKKZEMKY-RYUDHWBXSA-N 1 0 256.346 1.933 20 5 CDBDRO CC(C)C[NH+]1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169019090 927660210 /nfs/dbraw/zinc/66/02/10/927660210.db2.gz GUKQVNGHWRKIOA-KBPBESRZSA-N 1 0 269.389 1.705 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCO[C@@H](C[NH+]3CCCC3)C2)C1 ZINC001169054824 927671503 /nfs/dbraw/zinc/67/15/03/927671503.db2.gz NSFLNMBTLHXFSE-KFWWJZLASA-N 1 0 297.399 1.228 20 5 CDBDRO C[N@@H+](Cc1cn[nH]c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592116 927779003 /nfs/dbraw/zinc/77/90/03/927779003.db2.gz SYYWKHVIDFAVKU-CYBMUJFWSA-N 1 0 276.296 1.483 20 5 CDBDRO CC(C)(O)[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591498 927783029 /nfs/dbraw/zinc/78/30/29/927783029.db2.gz QYHWMUIILAFTMU-ZIAGYGMSSA-N 1 0 294.351 1.864 20 5 CDBDRO Cc1c(F)cnc(-n2ccc([C@H](C)[NH3+])n2)c1[N+](=O)[O-] ZINC001169228973 927831282 /nfs/dbraw/zinc/83/12/82/927831282.db2.gz TVAOIAJBRBULPX-ZETCQYMHSA-N 1 0 265.248 1.643 20 5 CDBDRO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000852702882 927850858 /nfs/dbraw/zinc/85/08/58/927850858.db2.gz KHXFAXXLPSCICN-DFBGVHRSSA-N 1 0 294.351 1.579 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000111302065 928015730 /nfs/dbraw/zinc/01/57/30/928015730.db2.gz DUGLZGBTTJGCQB-ZCFIWIBFSA-N 1 0 257.677 1.325 20 5 CDBDRO CC(C)[C@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CC[NH2+]1 ZINC000856489185 928607328 /nfs/dbraw/zinc/60/73/28/928607328.db2.gz LDBIFFLQXOIGII-LLVKDONJSA-N 1 0 271.361 1.278 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857764322 928745756 /nfs/dbraw/zinc/74/57/56/928745756.db2.gz OZFRSSDOZQZYRX-ZETCQYMHSA-N 1 0 289.238 1.030 20 5 CDBDRO COC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)OC ZINC000783664293 937277792 /nfs/dbraw/zinc/27/77/92/937277792.db2.gz KYZQZDFFURXHTN-SNVBAGLBSA-N 1 0 288.731 1.999 20 5 CDBDRO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000858587713 928892499 /nfs/dbraw/zinc/89/24/99/928892499.db2.gz VVWZTJIKFRIUDV-GHMZBOCLSA-N 1 0 295.339 1.962 20 5 CDBDRO Cc1c(NC(=O)N(C)C[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000859618621 929037850 /nfs/dbraw/zinc/03/78/50/929037850.db2.gz YKXYTCSTVQOFDC-MRVPVSSYSA-N 1 0 266.301 1.714 20 5 CDBDRO COc1cc(N2CC[C@@H]([N@H+](C)C(C)C)C2)ncc1[N+](=O)[O-] ZINC001157010807 929106213 /nfs/dbraw/zinc/10/62/13/929106213.db2.gz SPYAVQGXUHFOJJ-LLVKDONJSA-N 1 0 294.355 1.917 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1COCC[NH2+]1 ZINC000863483911 929558398 /nfs/dbraw/zinc/55/83/98/929558398.db2.gz RJTGBOSHCBDNQP-LLVKDONJSA-N 1 0 285.731 1.326 20 5 CDBDRO CC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788600425 929563802 /nfs/dbraw/zinc/56/38/02/929563802.db2.gz CTEYLLOFEIPPDM-ONGXEEELSA-N 1 0 267.329 1.989 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CCO1 ZINC000128537285 929728770 /nfs/dbraw/zinc/72/87/70/929728770.db2.gz MPISHWJTBBKNKA-RNCFNFMXSA-N 1 0 283.303 1.282 20 5 CDBDRO [NH3+]CCc1cn(Cc2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC000881227064 929797540 /nfs/dbraw/zinc/79/75/40/929797540.db2.gz JCYOTEGSTWERKV-UHFFFAOYSA-N 1 0 281.703 1.389 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000882486344 930011840 /nfs/dbraw/zinc/01/18/40/930011840.db2.gz QLDAOHKUHZFHBM-LLVKDONJSA-N 1 0 293.323 1.427 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000882488404 930012836 /nfs/dbraw/zinc/01/28/36/930012836.db2.gz DAPNDDDMLPWILG-ZDUSSCGKSA-N 1 0 291.351 1.656 20 5 CDBDRO C[C@H]([NH2+]CC[S@](C)=O)c1ccc([N+](=O)[O-])cc1 ZINC000131419502 930177058 /nfs/dbraw/zinc/17/70/58/930177058.db2.gz HJFLSOQGJJSAIY-HUTHGQBESA-N 1 0 256.327 1.624 20 5 CDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)[N@H+](C)C1CC1 ZINC000217804010 930180219 /nfs/dbraw/zinc/18/02/19/930180219.db2.gz MWUAUAVLFIEPJZ-SECBINFHSA-N 1 0 295.314 1.946 20 5 CDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)OCCC[NH+]1CCCCC1 ZINC000800141254 930412979 /nfs/dbraw/zinc/41/29/79/930412979.db2.gz VXEVMXOLQRTOBI-UHFFFAOYSA-N 1 0 296.327 1.211 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCCN1c1ncc(F)cc1[N+](=O)[O-] ZINC000401198766 937419152 /nfs/dbraw/zinc/41/91/52/937419152.db2.gz YMSDYIBMUPWRBI-VXNVDRBHSA-N 1 0 254.265 1.445 20 5 CDBDRO C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817942113 930640048 /nfs/dbraw/zinc/64/00/48/930640048.db2.gz WWKFZOHEYZNUTC-GXSJLCMTSA-N 1 0 264.329 1.580 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C1(C)C[NH2+]C1)CC2 ZINC000818608673 930734860 /nfs/dbraw/zinc/73/48/60/930734860.db2.gz KVSHQWQWPXYYJS-UHFFFAOYSA-N 1 0 275.308 1.402 20 5 CDBDRO COCC[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818991891 930744774 /nfs/dbraw/zinc/74/47/74/930744774.db2.gz KYJWSLSGPRKYMY-GXFFZTMASA-N 1 0 268.313 1.643 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CCC(=O)N(C)OC ZINC000818968573 930748770 /nfs/dbraw/zinc/74/87/70/930748770.db2.gz VBCWEDAJNOVBLE-UHFFFAOYSA-N 1 0 297.311 1.103 20 5 CDBDRO CC1(C)OCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CO1 ZINC000819226735 930777323 /nfs/dbraw/zinc/77/73/23/930777323.db2.gz WKHLMDGNCPGFTG-ZDUSSCGKSA-N 1 0 296.323 1.369 20 5 CDBDRO CC[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000885959333 930778221 /nfs/dbraw/zinc/77/82/21/930778221.db2.gz YSQTUVQEDUVLOJ-LLVKDONJSA-N 1 0 265.313 1.848 20 5 CDBDRO COCC[C@@H](C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819367620 930799949 /nfs/dbraw/zinc/79/99/49/930799949.db2.gz ARVMJHFSVGMSEI-BXUZGUMPSA-N 1 0 282.340 1.890 20 5 CDBDRO CC(C)(O)C(C)(C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886102683 930806826 /nfs/dbraw/zinc/80/68/26/930806826.db2.gz NDONDCAOLVWIHZ-UHFFFAOYSA-N 1 0 253.302 1.629 20 5 CDBDRO COC[C@H](NCc1cccnc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000886179460 930821513 /nfs/dbraw/zinc/82/15/13/930821513.db2.gz WENAAWXBLZHPPY-NWDGAFQWSA-N 1 0 281.312 1.273 20 5 CDBDRO CO[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000886232109 930833070 /nfs/dbraw/zinc/83/30/70/930833070.db2.gz PVVJQJSEAUTHNM-PWSUYJOCSA-N 1 0 265.313 1.847 20 5 CDBDRO CC(C)(CN1CCOCC1)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886247323 930838265 /nfs/dbraw/zinc/83/82/65/930838265.db2.gz NMKXAECOQFSIIN-UHFFFAOYSA-N 1 0 294.355 1.190 20 5 CDBDRO O=C(NCC[NH+]1CC=CC1)Nc1ccc([N+](=O)[O-])cc1F ZINC001116593093 937458854 /nfs/dbraw/zinc/45/88/54/937458854.db2.gz KVEHWXMIGVNBPD-UHFFFAOYSA-N 1 0 294.286 1.727 20 5 CDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1cccnc1[N+](=O)[O-])C2 ZINC000886841428 930974008 /nfs/dbraw/zinc/97/40/08/930974008.db2.gz LFENNUIVRDATBK-OKILXGFUSA-N 1 0 276.340 1.421 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000826573487 931113627 /nfs/dbraw/zinc/11/36/27/931113627.db2.gz BYVAVQVIQQJXLM-CYBMUJFWSA-N 1 0 277.324 1.158 20 5 CDBDRO CC(C)(CCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[N+](=O)[O-] ZINC000822528299 931167602 /nfs/dbraw/zinc/16/76/02/931167602.db2.gz AMHGCCDLQHCYBU-RYUDHWBXSA-N 1 0 283.372 1.565 20 5 CDBDRO C[C@@H](c1nc(CCC(C)(C)[N+](=O)[O-])no1)[C@H](C)[NH3+] ZINC000823235923 931270428 /nfs/dbraw/zinc/27/04/28/931270428.db2.gz VWVNAEOUGXBCAS-SFYZADRCSA-N 1 0 256.306 1.508 20 5 CDBDRO CO[C@@H](C[NH3+])Cc1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000823268966 931279741 /nfs/dbraw/zinc/27/97/41/931279741.db2.gz ADHQLZBNAZNFGW-LLVKDONJSA-N 1 0 292.295 1.469 20 5 CDBDRO COCCC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001154021786 937492971 /nfs/dbraw/zinc/49/29/71/937492971.db2.gz SARGARYEKOWBFY-UHFFFAOYSA-N 1 0 295.339 1.227 20 5 CDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NOCC[NH+](C)C ZINC000843897045 931514897 /nfs/dbraw/zinc/51/48/97/931514897.db2.gz BCUFSTTZCLOXNK-UHFFFAOYSA-N 1 0 285.275 1.265 20 5 CDBDRO C[C@]1([NH3+])CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246533960 931622292 /nfs/dbraw/zinc/62/22/92/931622292.db2.gz FCNVKNGBJSKEHV-KGLIPLIRSA-N 1 0 261.325 1.485 20 5 CDBDRO Cc1cnc(N2CCOC[C@H]2C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001154961939 937612675 /nfs/dbraw/zinc/61/26/75/937612675.db2.gz PTOVLTMMPQNTTP-LLVKDONJSA-N 1 0 280.328 1.065 20 5 CDBDRO COc1cc(NC[C@H]2CCCC[NH2+]2)cnc1[N+](=O)[O-] ZINC001171334251 932753061 /nfs/dbraw/zinc/75/30/61/932753061.db2.gz IHBOMCFBMCGJAE-SECBINFHSA-N 1 0 266.301 1.552 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NC[C@@H]2C[C@H](F)C[NH2+]2)n1 ZINC001155033689 937623634 /nfs/dbraw/zinc/62/36/34/937623634.db2.gz MFZIINBUPZUAHD-BQBZGAKWSA-N 1 0 289.698 1.459 20 5 CDBDRO Cc1cc(OCC(=O)NC[C@@H]2CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000928555946 933156778 /nfs/dbraw/zinc/15/67/78/933156778.db2.gz LPAZFLJBNVWPSY-NSHDSACASA-N 1 0 293.323 1.102 20 5 CDBDRO COc1cc(OC)cc(OCCC[N@H+](C)CC[N+](=O)[O-])c1 ZINC000929821003 933273148 /nfs/dbraw/zinc/27/31/48/933273148.db2.gz JSQRUTKKEYJFRI-UHFFFAOYSA-N 1 0 298.339 1.681 20 5 CDBDRO COc1ccc([C@@H](C)[NH2+]CC[N+](=O)[O-])c(C)c1OC ZINC000930494492 933388583 /nfs/dbraw/zinc/38/85/83/933388583.db2.gz ZBSGCNCRGPOOLK-SNVBAGLBSA-N 1 0 268.313 1.940 20 5 CDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000930581064 933405860 /nfs/dbraw/zinc/40/58/60/933405860.db2.gz SLFRIJHIAOMVSC-JTQLQIEISA-N 1 0 278.287 1.939 20 5 CDBDRO C[C@H]1COC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000932490851 933719327 /nfs/dbraw/zinc/71/93/27/933719327.db2.gz FOZQRPCAKPQBBY-QPUJVOFHSA-N 1 0 276.296 1.596 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2(O)CCCCC2)c1 ZINC001120484534 937802370 /nfs/dbraw/zinc/80/23/70/937802370.db2.gz IGYOZONVGZNAJW-AWEZNQCLSA-N 1 0 294.351 1.913 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CC([C@H]3CCOC3)C2)cc1 ZINC000795550614 934866769 /nfs/dbraw/zinc/86/67/69/934866769.db2.gz HNTYOTLKPBDLGO-SWLSCSKDSA-N 1 0 292.335 1.597 20 5 CDBDRO CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001017543387 935642839 /nfs/dbraw/zinc/64/28/39/935642839.db2.gz AXTARLOCHWDJHC-YVECIDJPSA-N 1 0 281.356 1.127 20 5 CDBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CC2CC2)CC1 ZINC001045435798 935884776 /nfs/dbraw/zinc/88/47/76/935884776.db2.gz BJEJSLALTAPPDZ-VXGBXAGGSA-N 1 0 281.356 1.032 20 5 CDBDRO C[N@H+](CCOCCO)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000800545630 935911332 /nfs/dbraw/zinc/91/13/32/935911332.db2.gz UNYLLWFXPALPJF-UHFFFAOYSA-N 1 0 288.731 1.689 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)C2CC2)cc1F ZINC000801539209 935996517 /nfs/dbraw/zinc/99/65/17/935996517.db2.gz DAZIDQMZCMEGIM-LBPRGKRZSA-N 1 0 268.288 1.985 20 5 CDBDRO C[C@H](Nc1cc(N)ccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001120959044 937850174 /nfs/dbraw/zinc/85/01/74/937850174.db2.gz FBZFNKQSLRNOPE-HZMBPMFUSA-N 1 0 293.371 1.223 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001122507841 937938073 /nfs/dbraw/zinc/93/80/73/937938073.db2.gz DNMJHRIBDHOKLC-AWEZNQCLSA-N 1 0 293.323 1.936 20 5 CDBDRO [NH3+]Cc1nn(-c2ncc(F)cc2[N+](=O)[O-])c2ccccc12 ZINC001156856372 938426803 /nfs/dbraw/zinc/42/68/03/938426803.db2.gz RETHPXCNGKWJNB-UHFFFAOYSA-N 1 0 287.254 1.927 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1-n1ccc2c1CC[NH2+]C2 ZINC001157449223 938493513 /nfs/dbraw/zinc/49/35/13/938493513.db2.gz IZIPUXRHULLYAN-UHFFFAOYSA-N 1 0 259.269 1.008 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCCN1c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001157733182 938537852 /nfs/dbraw/zinc/53/78/52/938537852.db2.gz NNHRIIJAVWJSED-MWLCHTKSSA-N 1 0 287.323 1.854 20 5 CDBDRO Cc1cnc(C[NH3+])n1-c1nc(Cl)cc(C)c1[N+](=O)[O-] ZINC001158162942 938588486 /nfs/dbraw/zinc/58/84/86/938588486.db2.gz JHBNZYZLOLZWSJ-UHFFFAOYSA-N 1 0 281.703 1.904 20 5 CDBDRO C[NH+](C)CCC(C)(C)Nc1ncc([N+](=O)[O-])cc1N ZINC001158760584 938660409 /nfs/dbraw/zinc/66/04/09/938660409.db2.gz DEIHTRQQODADFA-UHFFFAOYSA-N 1 0 267.333 1.714 20 5 CDBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)[C@@H]1C[NH2+]CCO1 ZINC001159488502 938731731 /nfs/dbraw/zinc/73/17/31/938731731.db2.gz DXCLJCRQNCVQPE-XVKPBYJWSA-N 1 0 286.719 1.432 20 5 CDBDRO CC(C)([NH3+])CNc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001160024884 938765131 /nfs/dbraw/zinc/76/51/31/938765131.db2.gz FULSZIOJFZZTDG-UHFFFAOYSA-N 1 0 261.285 1.687 20 5 CDBDRO CSc1nc(Cl)nc(NC/C=C/C[NH3+])c1[N+](=O)[O-] ZINC001160983276 938854414 /nfs/dbraw/zinc/85/44/14/938854414.db2.gz XHCVXOUFMWQYQL-NSCUHMNNSA-N 1 0 289.748 1.687 20 5 CDBDRO COc1nc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)ccc1[N+](=O)[O-] ZINC001162790903 939140634 /nfs/dbraw/zinc/14/06/34/939140634.db2.gz XPPHFZXSWTYBRV-IVZWLZJFSA-N 1 0 276.296 1.184 20 5 CDBDRO COc1cnc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)c([N+](=O)[O-])c1 ZINC001162792788 939141803 /nfs/dbraw/zinc/14/18/03/939141803.db2.gz IBQMPUXKHXNGFX-FBIMIBRVSA-N 1 0 276.296 1.184 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NCC[C@@H]2CCOC23C[NH2+]C3)n1 ZINC001163089007 939196597 /nfs/dbraw/zinc/19/65/97/939196597.db2.gz JBOWNBIDHJIPJG-LLVKDONJSA-N 1 0 292.339 1.479 20 5 CDBDRO Nc1cc(N[C@H](C[NH3+])c2ccccc2)ncc1[N+](=O)[O-] ZINC001163294455 939241819 /nfs/dbraw/zinc/24/18/19/939241819.db2.gz REKIAUWMWDVPTK-LLVKDONJSA-N 1 0 273.296 1.684 20 5 CDBDRO Cc1c(C)c(NCC2([NH3+])CCC2)ncc1[N+](=O)[O-] ZINC001163326965 939248521 /nfs/dbraw/zinc/24/85/21/939248521.db2.gz PTHVSGOAOYAGJU-UHFFFAOYSA-N 1 0 250.302 1.900 20 5 CDBDRO O=[N+]([O-])c1cc2cc[nH]c2c(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)c1 ZINC001163342493 939251395 /nfs/dbraw/zinc/25/13/95/939251395.db2.gz QKWFHYXAVCXUQB-OSMZGAPFSA-N 1 0 288.307 1.617 20 5 CDBDRO C[NH2+]CCN(C)C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001163718363 939313468 /nfs/dbraw/zinc/31/34/68/939313468.db2.gz UABJBRDRUKWVJX-UHFFFAOYSA-N 1 0 294.689 1.844 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1c(Cl)cncc1[N+](=O)[O-] ZINC001163985047 939371010 /nfs/dbraw/zinc/37/10/10/939371010.db2.gz HBRFGNFOVWMXLN-UHFFFAOYSA-N 1 0 267.676 1.596 20 5 CDBDRO COc1nc(N2CCC[C@@](C)(C[NH3+])CC2)ncc1[N+](=O)[O-] ZINC001164242263 939439484 /nfs/dbraw/zinc/43/94/84/939439484.db2.gz JQFQDFHWKOCRQT-CYBMUJFWSA-N 1 0 295.343 1.349 20 5 CDBDRO COc1cc(C)nc(N2CC(C)([NH+](C)C)C2)c1[N+](=O)[O-] ZINC001165117395 939512101 /nfs/dbraw/zinc/51/21/01/939512101.db2.gz FRZOAHOLFFCXFT-UHFFFAOYSA-N 1 0 280.328 1.447 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2ncc3c2CC[NH2+]C3)n1 ZINC001165218650 939526479 /nfs/dbraw/zinc/52/64/79/939526479.db2.gz HVQCMYJXVVEFKI-UHFFFAOYSA-N 1 0 293.714 1.783 20 5 CDBDRO [NH3+]CC1(F)CCN(c2cccc([N+](=O)[O-])n2)CC1 ZINC001165262398 939536421 /nfs/dbraw/zinc/53/64/21/939536421.db2.gz JXYWEGZSBWGDPW-UHFFFAOYSA-N 1 0 254.265 1.257 20 5 CDBDRO Nc1nc(N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)ccc1[N+](=O)[O-] ZINC001165435754 939565313 /nfs/dbraw/zinc/56/53/13/939565313.db2.gz XJHSOFMNHMXOMJ-RKDXNWHRSA-N 1 0 295.318 1.085 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OCC[NH+]1CCCCC1 ZINC001206709496 939577315 /nfs/dbraw/zinc/57/73/15/939577315.db2.gz MPVBLVBNKHPVLR-GFCCVEGCSA-N 1 0 296.371 1.991 20 5 CDBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1cc([N+](=O)[O-])ccn1 ZINC001166699954 939628374 /nfs/dbraw/zinc/62/83/74/939628374.db2.gz FDTUOVRFYOYGNV-JTQLQIEISA-N 1 0 286.295 1.079 20 5 CDBDRO [NH3+][C@@H]1CN(c2cc(Cl)ncc2[N+](=O)[O-])C[C@@H]1F ZINC001166928910 939651166 /nfs/dbraw/zinc/65/11/66/939651166.db2.gz XOIVELOMNFMTCN-NTSWFWBYSA-N 1 0 260.656 1.129 20 5 CDBDRO [NH3+][C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H]1F ZINC001166928625 939651186 /nfs/dbraw/zinc/65/11/86/939651186.db2.gz HYKIFGCOUDORKT-VHSXEESVSA-N 1 0 277.259 1.023 20 5 CDBDRO Cc1ccnc(N2CC[C@H]([NH3+])C(F)(F)C2)c1[N+](=O)[O-] ZINC001166960321 939661141 /nfs/dbraw/zinc/66/11/41/939661141.db2.gz HOUQEWHOOIJTRY-QMMMGPOBSA-N 1 0 272.255 1.471 20 5 CDBDRO [NH3+][C@H]1CCN(c2nc(Cl)ncc2[N+](=O)[O-])CC1(F)F ZINC001166959846 939661219 /nfs/dbraw/zinc/66/12/19/939661219.db2.gz KVHSWWPBGOXUSX-LURJTMIESA-N 1 0 293.661 1.211 20 5 CDBDRO [NH3+][C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C12CCC2 ZINC000404622427 940966497 /nfs/dbraw/zinc/96/64/97/940966497.db2.gz ATCXLNFXCDVGPG-DTWKUNHWSA-N 1 0 281.337 1.656 20 5 CDBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(N)n2)CC1 ZINC000307865502 940967192 /nfs/dbraw/zinc/96/71/92/940967192.db2.gz MKPGYTWIRQUNCM-UHFFFAOYSA-N 1 0 265.317 1.104 20 5 CDBDRO COc1cc(O[C@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001218281315 941050723 /nfs/dbraw/zinc/05/07/23/941050723.db2.gz DPAWORXFNWJOHX-QMMMGPOBSA-N 1 0 253.258 1.129 20 5 CDBDRO Cc1ccc(O[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001218286022 941052316 /nfs/dbraw/zinc/05/23/16/941052316.db2.gz QIHNKLBXZVFZRR-SECBINFHSA-N 1 0 281.268 1.942 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](O)C2CCC2)cc1 ZINC000316240828 941477917 /nfs/dbraw/zinc/47/79/17/941477917.db2.gz DTOCFQRKFAXBII-KBPBESRZSA-N 1 0 280.324 1.379 20 5 CDBDRO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@@H]1CC[N@H+](C)C1 ZINC001222772496 941633250 /nfs/dbraw/zinc/63/32/50/941633250.db2.gz CZTJODDIEFLMOH-SNVBAGLBSA-N 1 0 294.307 1.602 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1COC[C@@H]1CN(C)CCO1 ZINC001223108711 941658929 /nfs/dbraw/zinc/65/89/29/941658929.db2.gz WTWHZLANLFIYGC-ZDUSSCGKSA-N 1 0 296.323 1.451 20 5 CDBDRO COC(=O)c1ccc(OCCO[C@H](C)C[N+](C)(C)C)cc1 ZINC001224424409 941753655 /nfs/dbraw/zinc/75/36/55/941753655.db2.gz HQBIFSSITYQCRJ-CYBMUJFWSA-N 1 0 296.387 1.963 20 5 CDBDRO C[C@H](OCCN1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC001224549084 941768741 /nfs/dbraw/zinc/76/87/41/941768741.db2.gz JMSWCTKHPFXKOD-ZDUSSCGKSA-N 1 0 293.367 1.920 20 5 CDBDRO COC(=O)[C@@H]1C[C@H](OCCC[N+](C)(C)C)C1(C)C ZINC001224621368 941776919 /nfs/dbraw/zinc/77/69/19/941776919.db2.gz SDHFHDHLSDOUPG-RYUDHWBXSA-N 1 0 258.382 1.687 20 5 CDBDRO COc1cccc(F)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225446949 941861097 /nfs/dbraw/zinc/86/10/97/941861097.db2.gz HHBGVORRADTNAT-SNVBAGLBSA-N 1 0 286.323 1.197 20 5 CDBDRO COC(=O)c1ccc(OC)cc1O[C@H](C)C[N+](C)(C)C ZINC001225599061 941886856 /nfs/dbraw/zinc/88/68/56/941886856.db2.gz QXCXZITYOSCPMT-LLVKDONJSA-N 1 0 282.360 1.955 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(S(C)(=O)=O)cc1 ZINC001225983473 941937178 /nfs/dbraw/zinc/93/71/78/941937178.db2.gz MMXXBKLVHCIUEE-NSHDSACASA-N 1 0 272.390 1.564 20 5 CDBDRO C[N@@H+]1CC[C@H](Oc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001226434670 942004479 /nfs/dbraw/zinc/00/44/79/942004479.db2.gz NYXZAVUQQUDETD-JTQLQIEISA-N 1 0 274.280 1.621 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cc(=O)[nH]c2c1CCC2 ZINC001226591231 942031793 /nfs/dbraw/zinc/03/17/93/942031793.db2.gz NERAEFDLYAUPQB-SNVBAGLBSA-O 1 0 251.350 1.749 20 5 CDBDRO CCOC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)nn1 ZINC001227132796 942137820 /nfs/dbraw/zinc/13/78/20/942137820.db2.gz IJKIHEBEIGDVGU-SNVBAGLBSA-N 1 0 268.337 1.127 20 5 CDBDRO C[N@@H+]1CC[C@H](Oc2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001227217361 942151150 /nfs/dbraw/zinc/15/11/50/942151150.db2.gz WHILCCOYZRLWEJ-JTQLQIEISA-N 1 0 289.291 1.932 20 5 CDBDRO Cc1cnc(O[C@@H](C)C[N+](C)(C)C)c([N+](=O)[O-])c1 ZINC001227236775 942154025 /nfs/dbraw/zinc/15/40/25/942154025.db2.gz JYONPIQBMYMSOX-JTQLQIEISA-N 1 0 254.310 1.772 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(Cl)sn1 ZINC001227377980 942169859 /nfs/dbraw/zinc/16/98/59/942169859.db2.gz NBSRULKGAJKDMI-SSDOTTSWSA-N 1 0 279.769 1.159 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1[nH]c(=S)nc2cnccc21 ZINC001227885303 942239822 /nfs/dbraw/zinc/23/98/22/942239822.db2.gz MFXPKBHONKVLRA-SECBINFHSA-O 1 0 279.389 1.787 20 5 CDBDRO C[C@H](C[NH+](C)C)Oc1n[nH]c(=O)c2ccc([N+](=O)[O-])cc21 ZINC001229365877 942459372 /nfs/dbraw/zinc/45/93/72/942459372.db2.gz XDUMFTOISCKRKV-MRVPVSSYSA-N 1 0 292.295 1.573 20 5 CDBDRO CCC[NH+]1CCC(Nc2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001262676770 943665576 /nfs/dbraw/zinc/66/55/76/943665576.db2.gz PFRMCAOQSOQYTJ-UHFFFAOYSA-N 1 0 279.344 1.858 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2ccc(C(=O)OC)c([N+](=O)[O-])c2)C1 ZINC001234050923 943728319 /nfs/dbraw/zinc/72/83/19/943728319.db2.gz MYGCRHULANJNME-NSHDSACASA-N 1 0 294.307 1.854 20 5 CDBDRO CC[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001263197278 943783200 /nfs/dbraw/zinc/78/32/00/943783200.db2.gz QUOBPRJQKSJHOQ-VHSXEESVSA-N 1 0 265.313 1.770 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC001262567730 946719677 /nfs/dbraw/zinc/71/96/77/946719677.db2.gz BJAJWRKOPALBLR-AWEZNQCLSA-N 1 0 260.293 1.740 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(C)(C)CN ZINC001254532912 947508167 /nfs/dbraw/zinc/50/81/67/947508167.db2.gz SNJFJZBJWMLBTQ-JTQLQIEISA-N 1 0 251.330 1.853 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(C)(C)CO ZINC001254533530 947512544 /nfs/dbraw/zinc/51/25/44/947512544.db2.gz MACPHMIUUSAYPC-JTQLQIEISA-N 1 0 252.314 1.886 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CNC(=O)C1 ZINC001254539105 947515893 /nfs/dbraw/zinc/51/58/93/947515893.db2.gz BUSPEXYTDPTAKC-GXSJLCMTSA-N 1 0 263.297 1.004 20 5 CDBDRO CCC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(N)=O ZINC001254542104 947518088 /nfs/dbraw/zinc/51/80/88/947518088.db2.gz LWDKGUIUDYLUJL-PWSUYJOCSA-N 1 0 279.340 1.769 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC(=O)NC1 ZINC001254540771 947519227 /nfs/dbraw/zinc/51/92/27/947519227.db2.gz WFDMBWPGABLYNO-WCQYABFASA-N 1 0 291.351 1.784 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001254550178 947521146 /nfs/dbraw/zinc/52/11/46/947521146.db2.gz DZRWVSFZKDYIJP-OSMZGAPFSA-N 1 0 282.315 1.931 20 5 CDBDRO CC(C)[C@](C)([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254581022 947538056 /nfs/dbraw/zinc/53/80/56/947538056.db2.gz IENJSHDXSYEWJY-DOMZBBRYSA-N 1 0 291.351 1.552 20 5 CDBDRO N=c1cc(C[NH3+])ccn1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254584448 947539515 /nfs/dbraw/zinc/53/95/15/947539515.db2.gz SGGMKXHEQDYGJW-AWEZNQCLSA-N 1 0 284.319 1.674 20 5 CDBDRO CN1C[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1=O ZINC001254583750 947541198 /nfs/dbraw/zinc/54/11/98/947541198.db2.gz NYARYAZGRMYDPX-OLZOCXBDSA-N 1 0 289.335 1.272 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCCC[C@@]23CC[NH2+]C3)C1 ZINC001246641389 948376445 /nfs/dbraw/zinc/37/64/45/948376445.db2.gz DWZINMHWQHZZFE-MCIONIFRSA-N 1 0 267.373 1.650 20 5 CDBDRO C[C@H]1CC[C@@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)[NH2+]1 ZINC001247739941 948735112 /nfs/dbraw/zinc/73/51/12/948735112.db2.gz NOEPFYVSKGDDEW-XPUUQOCRSA-N 1 0 293.258 1.992 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC001247883246 948845075 /nfs/dbraw/zinc/84/50/75/948845075.db2.gz JVEFOCVDUMGSTF-SRSLHRDFSA-N 1 0 291.242 1.112 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC001329483076 955942384 /nfs/dbraw/zinc/94/23/84/955942384.db2.gz IYYFVZQMYLCOEC-SNVBAGLBSA-N 1 0 294.355 1.389 20 5 CDBDRO Cn1cc([N+](=O)[O-])c(NC[C@H](C2CC2)[NH+](C)C)n1 ZINC001306958294 956353634 /nfs/dbraw/zinc/35/36/34/956353634.db2.gz IMRPPICRJSTILM-SECBINFHSA-N 1 0 253.306 1.080 20 5 CDBDRO CC(C)C[N@H+](C)CCCNc1nn(C)cc1[N+](=O)[O-] ZINC001307156180 956373274 /nfs/dbraw/zinc/37/32/74/956373274.db2.gz BZYHQCYYJKVTAX-UHFFFAOYSA-N 1 0 269.349 1.718 20 5 CDBDRO O=[N+]([O-])c1ccsc1N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001307217643 956381921 /nfs/dbraw/zinc/38/19/21/956381921.db2.gz QORQPKNODAPTKB-MRVPVSSYSA-N 1 0 269.326 1.223 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001318681062 958227521 /nfs/dbraw/zinc/22/75/21/958227521.db2.gz ZHHNGBHDELRKPC-VHSXEESVSA-N 1 0 267.333 1.613 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001336745077 960537154 /nfs/dbraw/zinc/53/71/54/960537154.db2.gz MGCSPPJJEWMNMH-CQSZACIVSA-N 1 0 291.351 1.738 20 5 CDBDRO CC(=O)OC[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001336760654 960557336 /nfs/dbraw/zinc/55/73/36/960557336.db2.gz JSBAGGMGQMLYAS-SECBINFHSA-N 1 0 266.297 1.944 20 5 CDBDRO Cc1nc(NC[C@H]2CCCC[N@H+]2C)ncc1[N+](=O)[O-] ZINC001336764602 960561755 /nfs/dbraw/zinc/56/17/55/960561755.db2.gz MHSKKTJEEKEKGW-SNVBAGLBSA-N 1 0 265.317 1.589 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@]2(O)CCSC2)c1 ZINC001336802378 960602718 /nfs/dbraw/zinc/60/27/18/960602718.db2.gz CJOKIKWDHZUZGY-STQMWFEESA-N 1 0 298.364 1.086 20 5 CDBDRO CC(C)(C)OC(=O)NCCCC[NH2+]CC[N+](=O)[O-] ZINC001337852949 961471325 /nfs/dbraw/zinc/47/13/25/961471325.db2.gz DVWXZEIJNZKONB-UHFFFAOYSA-N 1 0 261.322 1.158 20 5 CDBDRO [NH3+]C1CC2(C1)CC(NC(=O)c1ccccc1[N+](=O)[O-])C2 ZINC001341886322 963571540 /nfs/dbraw/zinc/57/15/40/963571540.db2.gz UCWDAZWBYHSIOL-UHFFFAOYSA-N 1 0 275.308 1.595 20 5 CDBDRO O=[N+]([O-])c1c(N[C@H]2C[NH+]3CCC2CC3)nc2ccccn21 ZINC001347746475 965681915 /nfs/dbraw/zinc/68/19/15/965681915.db2.gz QWRSHZPWJQVSST-NSHDSACASA-N 1 0 287.323 1.749 20 5 CDBDRO CC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])c(C)n2)[C@H](C)C1 ZINC001350490470 966679322 /nfs/dbraw/zinc/67/93/22/966679322.db2.gz JJQYYYJFMSLZSJ-SNVBAGLBSA-N 1 0 279.344 1.614 20 5 CDBDRO C[C@@H](NC(=O)N[C@@]1(C)CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001353467031 967998441 /nfs/dbraw/zinc/99/84/41/967998441.db2.gz LCLAOUPVBAUQRK-YGRLFVJLSA-N 1 0 292.339 1.707 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCSC2)c1[N+](=O)[O-] ZINC001355312488 969120416 /nfs/dbraw/zinc/12/04/16/969120416.db2.gz LXPAHBXBATZVLS-SECBINFHSA-N 1 0 284.337 1.904 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1C[NH2+]CC12CC2 ZINC001356473608 969407136 /nfs/dbraw/zinc/40/71/36/969407136.db2.gz ZUOLWMLSSPLRFX-ZDUSSCGKSA-N 1 0 289.335 1.396 20 5 CDBDRO CSC[C@H](O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001356533644 969420449 /nfs/dbraw/zinc/42/04/49/969420449.db2.gz SBGQTRCZLCXQMX-SNVBAGLBSA-N 1 0 256.327 1.408 20 5 CDBDRO Cc1cc(NC(=O)[C@@H]2CC[NH2+][C@@H]2C)cc([N+](=O)[O-])c1 ZINC001356538719 969420950 /nfs/dbraw/zinc/42/09/50/969420950.db2.gz WZMJUKRXMUKKNI-BXKDBHETSA-N 1 0 263.297 1.840 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC001521216975 970270532 /nfs/dbraw/zinc/27/05/32/970270532.db2.gz MKWDQYNNMAYYKL-QEGRKFQGSA-N 1 0 289.335 1.913 20 5 CDBDRO CC(C)(CCC[NH3+])NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001575298837 1171147558 /nfs/dbraw/zinc/14/75/58/1171147558.db2.gz MRYWPURGKUWBAA-UHFFFAOYSA-N 1 0 289.723 1.219 20 5 CDBDRO CCOC(=O)c1ccnc(N2C[C@@H]([NH3+])C[C@H]2C)c1[N+](=O)[O-] ZINC001578060980 1171796458 /nfs/dbraw/zinc/79/64/58/1171796458.db2.gz JBFVUODTHQJRGQ-BDAKNGLRSA-N 1 0 294.311 1.092 20 5 CDBDRO CN(C(=O)c1cc([N+](=O)[O-])cn1C)c1cc(C[NH3+])ccn1 ZINC001578389366 1171893991 /nfs/dbraw/zinc/89/39/91/1171893991.db2.gz HDNMCHLZFNIAFB-UHFFFAOYSA-N 1 0 289.295 1.064 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601032727 342460155 /nfs/dbraw/zinc/46/01/55/342460155.db2.gz INIGRQUZQRHKDV-JTQLQIEISA-N 1 0 295.314 1.900 20 5 CDBDRO CCc1nn(C)c(N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000601185401 342489250 /nfs/dbraw/zinc/48/92/50/342489250.db2.gz TWVIFMCAPJSPBR-WDEREUQCSA-N 1 0 293.371 1.279 20 5 CDBDRO C[N@@H+]1CCC[C@]2(CCN(c3cccnc3[N+](=O)[O-])C2)C1 ZINC000590141931 342522709 /nfs/dbraw/zinc/52/27/09/342522709.db2.gz OMACGFGIVOTKAB-AWEZNQCLSA-N 1 0 276.340 1.912 20 5 CDBDRO Cc1c(CNC(=O)CCCC[NH3+])cccc1[N+](=O)[O-] ZINC000231856961 341994796 /nfs/dbraw/zinc/99/47/96/341994796.db2.gz CHQBMCYATZYCJR-UHFFFAOYSA-N 1 0 265.313 1.648 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000590403317 342544030 /nfs/dbraw/zinc/54/40/30/342544030.db2.gz KRYDERIJIFMNPJ-ZYHUDNBSSA-N 1 0 277.324 1.759 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CC[C@H](O)C2)c1 ZINC000599199605 343979700 /nfs/dbraw/zinc/97/97/00/343979700.db2.gz MVQHKZRXHCWJHI-JTQLQIEISA-N 1 0 281.312 1.082 20 5 CDBDRO CN(CCC[NH+](C)C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601411076 342560801 /nfs/dbraw/zinc/56/08/01/342560801.db2.gz MYPSCICRWBYWHL-UHFFFAOYSA-N 1 0 283.303 1.758 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000139670821 342026933 /nfs/dbraw/zinc/02/69/33/342026933.db2.gz LVIXPZUEIXTVMS-NSHDSACASA-N 1 0 290.323 1.953 20 5 CDBDRO C[NH2+]CCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000070190158 361768862 /nfs/dbraw/zinc/76/88/62/361768862.db2.gz QSYCEPRCRWWUGO-UHFFFAOYSA-N 1 0 264.329 1.816 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000590539651 342575798 /nfs/dbraw/zinc/57/57/98/342575798.db2.gz WWWAEFMNCXJGHA-UHFFFAOYSA-N 1 0 289.335 1.681 20 5 CDBDRO Cc1ccn2cc(CNc3ccc(N)c([N+](=O)[O-])n3)nc2c1 ZINC000590573878 342577246 /nfs/dbraw/zinc/57/72/46/342577246.db2.gz HUMLIVCRMXHMMW-UHFFFAOYSA-N 1 0 298.306 1.562 20 5 CDBDRO CC[C@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000590646764 342581103 /nfs/dbraw/zinc/58/11/03/342581103.db2.gz IYAWLBDBVRDFNL-JQWIXIFHSA-N 1 0 268.317 1.339 20 5 CDBDRO C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)C(C)(C)C[NH+](C)C ZINC000124892068 187159969 /nfs/dbraw/zinc/15/99/69/187159969.db2.gz CDQRWAHAWICXAV-SECBINFHSA-N 1 0 297.359 1.034 20 5 CDBDRO Cc1n[nH]c(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000609135567 342091852 /nfs/dbraw/zinc/09/18/52/342091852.db2.gz RDGCHMPQXZGFFI-SNVBAGLBSA-N 1 0 295.343 1.229 20 5 CDBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CCC[NH2+]CC2)c(F)c1 ZINC000591278563 342624180 /nfs/dbraw/zinc/62/41/80/342624180.db2.gz RCUDQWWSYYFIEK-LLVKDONJSA-N 1 0 267.304 1.966 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC[NH2+]1 ZINC000591348169 342626905 /nfs/dbraw/zinc/62/69/05/342626905.db2.gz AYBYTAHXOCQRQK-LBPRGKRZSA-N 1 0 292.339 1.536 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000591361163 342628442 /nfs/dbraw/zinc/62/84/42/342628442.db2.gz IKNSGLGRCYJJFR-SECBINFHSA-N 1 0 280.328 1.476 20 5 CDBDRO COC(=O)c1cnc(NC[C@@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000591429641 342629949 /nfs/dbraw/zinc/62/99/49/342629949.db2.gz HFAHCRJAEGPPDZ-JTQLQIEISA-N 1 0 294.311 1.330 20 5 CDBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000591933530 342657156 /nfs/dbraw/zinc/65/71/56/342657156.db2.gz IKBGLJYRGGZLQF-MNOVXSKESA-N 1 0 292.339 1.121 20 5 CDBDRO COc1ccc(CC(=O)N2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000591669412 342641240 /nfs/dbraw/zinc/64/12/40/342641240.db2.gz SJCYXLWCEFEDEJ-NSHDSACASA-N 1 0 293.323 1.096 20 5 CDBDRO Cc1nn(C)cc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000289835539 361836162 /nfs/dbraw/zinc/83/61/62/361836162.db2.gz PAWMYINPFUCBOQ-UHFFFAOYSA-N 1 0 289.339 1.602 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N(C1CC1)C1CC[NH2+]CC1 ZINC000592458538 342694266 /nfs/dbraw/zinc/69/42/66/342694266.db2.gz TYZIXBUFZXVIFE-UHFFFAOYSA-N 1 0 278.312 1.280 20 5 CDBDRO C[NH+](C)CCCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342869220 361909468 /nfs/dbraw/zinc/90/94/68/361909468.db2.gz VYEUSBVHEIZFTH-UHFFFAOYSA-N 1 0 290.323 1.758 20 5 CDBDRO COCC[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000569715472 539043038 /nfs/dbraw/zinc/04/30/38/539043038.db2.gz LAKLACANGJTFQO-WCQYABFASA-N 1 0 298.339 1.349 20 5 CDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000594430030 342898056 /nfs/dbraw/zinc/89/80/56/342898056.db2.gz UXFHKAPJANUJIF-SWLSCSKDSA-N 1 0 289.335 1.601 20 5 CDBDRO CCN(CC[NH3+])CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000600717700 342244259 /nfs/dbraw/zinc/24/42/59/342244259.db2.gz SNWVFQVJVLBLLP-UHFFFAOYSA-N 1 0 280.328 1.122 20 5 CDBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])c[nH]1 ZINC000594417094 342902796 /nfs/dbraw/zinc/90/27/96/342902796.db2.gz ABXQNWLKJHISCP-WCQYABFASA-N 1 0 292.339 1.670 20 5 CDBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])[nH]1 ZINC000594422362 342903704 /nfs/dbraw/zinc/90/37/04/342903704.db2.gz YQOTWQDHJSIDFS-JQWIXIFHSA-N 1 0 292.339 1.670 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000609383637 342265686 /nfs/dbraw/zinc/26/56/86/342265686.db2.gz YBQQFZLJJFCRIG-NSHDSACASA-N 1 0 292.339 1.147 20 5 CDBDRO C[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@H]1C[NH3+] ZINC000600961278 342288560 /nfs/dbraw/zinc/28/85/60/342288560.db2.gz KQBFQOBDKFXYRM-ZYHUDNBSSA-N 1 0 290.367 1.900 20 5 CDBDRO CC[C@H](NC(=O)NCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417855703 529503991 /nfs/dbraw/zinc/50/39/91/529503991.db2.gz RJHWVGRMVMGVBC-NSHDSACASA-N 1 0 266.301 1.304 20 5 CDBDRO CC[C@@](C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000177126579 529506428 /nfs/dbraw/zinc/50/64/28/529506428.db2.gz IKYXCIGOPKGBHD-CYBMUJFWSA-N 1 0 265.313 1.381 20 5 CDBDRO Cc1nn(C)cc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000125974586 187209148 /nfs/dbraw/zinc/20/91/48/187209148.db2.gz HIVWATWXVFDZAM-UHFFFAOYSA-N 1 0 260.297 1.927 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccnn2CC2CC2)c1 ZINC000594931819 342975147 /nfs/dbraw/zinc/97/51/47/342975147.db2.gz RQSSQUGYYYPAPT-UHFFFAOYSA-N 1 0 290.327 1.188 20 5 CDBDRO COc1ccc(C[NH2+]C/C=C\CO)cc1[N+](=O)[O-] ZINC000594974527 342992331 /nfs/dbraw/zinc/99/23/31/342992331.db2.gz LAYLKYCJYOSAFB-IHWYPQMZSA-N 1 0 252.270 1.242 20 5 CDBDRO Cc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000074746779 342303745 /nfs/dbraw/zinc/30/37/45/342303745.db2.gz XJOLLILSOIMAIE-GFCCVEGCSA-N 1 0 276.340 1.973 20 5 CDBDRO NC(=O)c1ccc(CN(CCCO)C2CC2)c([N+](=O)[O-])c1 ZINC000404274129 349769880 /nfs/dbraw/zinc/76/98/80/349769880.db2.gz CTUQSMFSQCRJOD-UHFFFAOYSA-N 1 0 293.323 1.041 20 5 CDBDRO Cc1noc(CN(C)CCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000595473423 343073429 /nfs/dbraw/zinc/07/34/29/343073429.db2.gz KFZNLRCRJHGAGO-UHFFFAOYSA-N 1 0 282.344 1.809 20 5 CDBDRO Nc1nc(N2CCC[C@H]([NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000076268337 342320417 /nfs/dbraw/zinc/32/04/17/342320417.db2.gz GPYSABZZEBUVTB-JTQLQIEISA-N 1 0 292.343 1.032 20 5 CDBDRO CCC[NH+]1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000265294803 362096285 /nfs/dbraw/zinc/09/62/85/362096285.db2.gz YSVMLDVJPVQOFV-UHFFFAOYSA-N 1 0 264.329 1.830 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N3C[C@H]4CC[C@@H](C3)[NH2+]4)c21 ZINC000600963729 342343370 /nfs/dbraw/zinc/34/33/70/342343370.db2.gz ZVXNXPRQXKXYKT-AOOOYVTPSA-N 1 0 285.307 1.479 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000595987457 343212160 /nfs/dbraw/zinc/21/21/60/343212160.db2.gz WOSBHRRJYVLGQT-AWEZNQCLSA-N 1 0 277.324 1.693 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CC(C)(C)[NH3+] ZINC000595901108 343187055 /nfs/dbraw/zinc/18/70/55/343187055.db2.gz DAXBCRVKFZYTSM-UHFFFAOYSA-N 1 0 294.355 1.511 20 5 CDBDRO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(C)[NH3+] ZINC000595901798 343187232 /nfs/dbraw/zinc/18/72/32/343187232.db2.gz LOKWPLIRCIFKRW-UHFFFAOYSA-N 1 0 280.328 1.202 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000595920574 343192089 /nfs/dbraw/zinc/19/20/89/343192089.db2.gz VMAAHERGRNBNBW-LBPRGKRZSA-N 1 0 265.313 1.252 20 5 CDBDRO CC(C)[NH+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596074279 343226011 /nfs/dbraw/zinc/22/60/11/343226011.db2.gz DEQWOKIFOVDNNQ-UHFFFAOYSA-N 1 0 266.301 1.226 20 5 CDBDRO CC(C)(O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000081644228 342372761 /nfs/dbraw/zinc/37/27/61/342372761.db2.gz SYMRYRKUAFOCBD-UHFFFAOYSA-N 1 0 293.367 1.878 20 5 CDBDRO Cc1ccnc(N2CC(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000596248040 343273682 /nfs/dbraw/zinc/27/36/82/343273682.db2.gz VUMBIDDDHVFGBV-UHFFFAOYSA-N 1 0 250.302 1.296 20 5 CDBDRO Cc1cc(NCC[C@H](C)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000596427967 343312312 /nfs/dbraw/zinc/31/23/12/343312312.db2.gz CKUPAFIBUJRKPC-JTQLQIEISA-N 1 0 252.318 1.472 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[C@@H](C)[NH+](C)C ZINC000596429502 343315882 /nfs/dbraw/zinc/31/58/82/343315882.db2.gz IBGVBPRGZCZGJV-SECBINFHSA-N 1 0 269.349 1.872 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000139980125 342434080 /nfs/dbraw/zinc/43/40/80/342434080.db2.gz ATDKEUWEQXFGSA-GFCCVEGCSA-N 1 0 289.335 1.870 20 5 CDBDRO O=C(NCC[NH+]1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000600997592 342445310 /nfs/dbraw/zinc/44/53/10/342445310.db2.gz IERVEJPEUMZSII-UHFFFAOYSA-N 1 0 295.314 1.950 20 5 CDBDRO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000221512066 342415567 /nfs/dbraw/zinc/41/55/67/342415567.db2.gz GUTABHFLJMHAAD-MBNYWOFBSA-N 1 0 296.371 1.711 20 5 CDBDRO O=C(NCC12CCC[NH+]1CCC2)c1ccc([N+](=O)[O-])o1 ZINC000619574128 349808234 /nfs/dbraw/zinc/80/82/34/349808234.db2.gz RLTVOSUIXMCSMC-UHFFFAOYSA-N 1 0 279.296 1.546 20 5 CDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436979242 362244121 /nfs/dbraw/zinc/24/41/21/362244121.db2.gz LEFGPTAHDYMRFQ-SNVBAGLBSA-N 1 0 293.323 1.467 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000597603284 343584846 /nfs/dbraw/zinc/58/48/46/343584846.db2.gz BBFIDUWSGDAYAP-SNVBAGLBSA-N 1 0 280.328 1.479 20 5 CDBDRO C[NH2+]C1(CNc2ccc([N+](=O)[O-])c(C)n2)CCC1 ZINC000598634152 343850091 /nfs/dbraw/zinc/85/00/91/343850091.db2.gz QRTKNXUODADQLB-UHFFFAOYSA-N 1 0 250.302 1.274 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000598668738 343871711 /nfs/dbraw/zinc/87/17/11/343871711.db2.gz ZRYDPYUJMBTKGO-NHYWBVRUSA-N 1 0 289.335 1.857 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCN2CC[C@@H](O)C2)c(Cl)c1 ZINC000599010194 343939575 /nfs/dbraw/zinc/93/95/75/343939575.db2.gz RWJZSHUWCWDOSJ-GFCCVEGCSA-N 1 0 299.758 1.404 20 5 CDBDRO Cc1c(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000159547097 362285896 /nfs/dbraw/zinc/28/58/96/362285896.db2.gz JQKURKJZMLVDDN-KOLCDFICSA-N 1 0 295.339 1.543 20 5 CDBDRO C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000601964352 344298026 /nfs/dbraw/zinc/29/80/26/344298026.db2.gz NRLROKWCXMPECN-ZDUSSCGKSA-N 1 0 290.323 1.284 20 5 CDBDRO O=C1CC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CCN1 ZINC000602014448 344313533 /nfs/dbraw/zinc/31/35/33/344313533.db2.gz DKVCBBQHPGWIOK-LBPRGKRZSA-N 1 0 277.324 1.396 20 5 CDBDRO C[NH+](C)CC1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602083558 344328806 /nfs/dbraw/zinc/32/88/06/344328806.db2.gz LZVLORDAACBNKB-UHFFFAOYSA-N 1 0 291.351 1.595 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)C1(C[NH+](C)C)CC1 ZINC000602169011 344366871 /nfs/dbraw/zinc/36/68/71/344366871.db2.gz WGLWGTHBZSJBMZ-UHFFFAOYSA-N 1 0 292.339 1.917 20 5 CDBDRO Cc1c(C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)cccc1[N+](=O)[O-] ZINC000601974032 344301165 /nfs/dbraw/zinc/30/11/65/344301165.db2.gz LCFXRIOIASUVNQ-ABAIWWIYSA-N 1 0 289.335 1.775 20 5 CDBDRO CC(C)([NH3+])CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602433620 344424902 /nfs/dbraw/zinc/42/49/02/344424902.db2.gz NJYJTMGYKWNURU-UHFFFAOYSA-N 1 0 255.249 1.201 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000602598019 344503478 /nfs/dbraw/zinc/50/34/78/344503478.db2.gz XYNLWNAXTIDAKB-RQJHMYQMSA-N 1 0 255.299 1.218 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602487958 344449797 /nfs/dbraw/zinc/44/97/97/344449797.db2.gz XLWZOABCUZAJRS-BDAKNGLRSA-N 1 0 281.287 1.543 20 5 CDBDRO CCC[C@@H](C[NH2+]CCn1cc([N+](=O)[O-])cn1)OC ZINC000602567511 344483753 /nfs/dbraw/zinc/48/37/53/344483753.db2.gz FEZMZPSBGOXCGS-NSHDSACASA-N 1 0 256.306 1.196 20 5 CDBDRO COc1cccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c1[N+](=O)[O-] ZINC000602595274 344502224 /nfs/dbraw/zinc/50/22/24/344502224.db2.gz WCLSAVNNHZJXEF-NXEZZACHSA-N 1 0 293.323 1.270 20 5 CDBDRO CO[C@]1(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])CCOC1 ZINC000602649490 344515410 /nfs/dbraw/zinc/51/54/10/344515410.db2.gz JRXOVMNVBYATIB-HNNXBMFYSA-N 1 0 294.351 1.875 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000602795937 344586319 /nfs/dbraw/zinc/58/63/19/344586319.db2.gz INBXYUBMKDIEMU-LLVKDONJSA-N 1 0 284.360 1.439 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](C)C[C@H]1C(C)C ZINC000602831491 344614191 /nfs/dbraw/zinc/61/41/91/344614191.db2.gz IIWMPLSRJOFGFK-ZDUSSCGKSA-N 1 0 295.387 1.372 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]([C@H](C)CO)C1CCCC1 ZINC000602813469 344604837 /nfs/dbraw/zinc/60/48/37/344604837.db2.gz GCGJYMMQVOSVJX-LLVKDONJSA-N 1 0 296.371 1.725 20 5 CDBDRO CO[C@]1(C)C[C@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])C1(C)C ZINC000602838284 344620415 /nfs/dbraw/zinc/62/04/15/344620415.db2.gz BAJZDCBGJHYEHP-SMDDNHRTSA-N 1 0 296.371 1.893 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](CO)[C@H]1C ZINC000602846353 344623717 /nfs/dbraw/zinc/62/37/17/344623717.db2.gz OQSZBZGEKZAANI-PWSUYJOCSA-N 1 0 282.344 1.193 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000178968715 290730611 /nfs/dbraw/zinc/73/06/11/290730611.db2.gz CLRBLLCZVZFSQP-CYBMUJFWSA-N 1 0 291.351 1.595 20 5 CDBDRO O=C1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCCN1 ZINC000111826653 344819770 /nfs/dbraw/zinc/81/97/70/344819770.db2.gz VYATYROPROWOBB-NSHDSACASA-N 1 0 263.297 1.353 20 5 CDBDRO CC[NH+]1CCN(CCCNc2cccnc2[N+](=O)[O-])CC1 ZINC000603853531 344840192 /nfs/dbraw/zinc/84/01/92/344840192.db2.gz BRUOTRVNXWADAR-UHFFFAOYSA-N 1 0 293.371 1.429 20 5 CDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C1CC[NH+](C)CC1 ZINC000604552745 344902732 /nfs/dbraw/zinc/90/27/32/344902732.db2.gz TXWBOBXOZKQPFG-SECBINFHSA-N 1 0 281.312 1.648 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000129154873 362526401 /nfs/dbraw/zinc/52/64/01/362526401.db2.gz JTDQQZSHDLPCKB-JTQLQIEISA-N 1 0 265.317 1.529 20 5 CDBDRO C[C@H](C(=O)N1CC([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000542649173 362571050 /nfs/dbraw/zinc/57/10/50/362571050.db2.gz ORLPWTZNEUTPCS-VIFPVBQESA-N 1 0 295.314 1.610 20 5 CDBDRO CC1(C)C[NH2+]CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000088138580 346012050 /nfs/dbraw/zinc/01/20/50/346012050.db2.gz UTVAEEDMQHFUER-UHFFFAOYSA-N 1 0 263.297 1.419 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000086471226 362712386 /nfs/dbraw/zinc/71/23/86/362712386.db2.gz YDGUZZMXFCNKKA-JGVFFNPUSA-N 1 0 281.341 1.491 20 5 CDBDRO O=[N+]([O-])c1ccsc1N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000611412054 346779443 /nfs/dbraw/zinc/77/94/43/346779443.db2.gz FQCZWVJSZWRBRD-PWSUYJOCSA-N 1 0 297.380 1.692 20 5 CDBDRO O=[N+]([O-])c1ccccc1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000112090934 365871805 /nfs/dbraw/zinc/87/18/05/365871805.db2.gz DFQYHFAXGACCSP-NEPJUHHUSA-N 1 0 277.324 1.870 20 5 CDBDRO Cc1nc(N2CCC[C@@H](CC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000124129823 136705551 /nfs/dbraw/zinc/70/55/51/136705551.db2.gz ZREWYHCTNRRMND-NSHDSACASA-N 1 0 264.329 1.863 20 5 CDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000122183128 347613584 /nfs/dbraw/zinc/61/35/84/347613584.db2.gz PQZLCMKZCHOACP-GFCCVEGCSA-N 1 0 268.317 1.037 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000047226729 348807756 /nfs/dbraw/zinc/80/77/56/348807756.db2.gz FPNNRGCHAHIHSZ-UONOGXRCSA-N 1 0 289.335 1.951 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111010175 349220352 /nfs/dbraw/zinc/22/03/52/349220352.db2.gz YAPCZQIXNNNKGU-SECBINFHSA-N 1 0 297.742 1.978 20 5 CDBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000073854663 350077128 /nfs/dbraw/zinc/07/71/28/350077128.db2.gz YMJZWMPJQNTKFY-VIFPVBQESA-N 1 0 278.312 1.137 20 5 CDBDRO C[C@@H]1[C@H](C)SCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090549838 180002723 /nfs/dbraw/zinc/00/27/23/180002723.db2.gz QIRRZUHNYHYFBW-MNOVXSKESA-N 1 0 297.380 1.582 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000111301903 350460285 /nfs/dbraw/zinc/46/02/85/350460285.db2.gz FRDZBOPIVWMNDJ-ZCFIWIBFSA-N 1 0 257.677 1.325 20 5 CDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000106880499 186145381 /nfs/dbraw/zinc/14/53/81/186145381.db2.gz LVUXBAHBTWTUOF-LBPRGKRZSA-N 1 0 266.297 1.694 20 5 CDBDRO Cc1c(C(=O)NCC[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000110795082 186325464 /nfs/dbraw/zinc/32/54/64/186325464.db2.gz MWCRWXOBBMBUMM-NSHDSACASA-N 1 0 277.324 1.633 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCN(C[C@@H]3CCCO3)CC2)s1 ZINC000619693853 350835004 /nfs/dbraw/zinc/83/50/04/350835004.db2.gz JHWCEQZWKDKQEY-JTQLQIEISA-N 1 0 298.368 1.352 20 5 CDBDRO CCCNC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000036780826 363012126 /nfs/dbraw/zinc/01/21/26/363012126.db2.gz LURXAYBJQWSUQK-JTQLQIEISA-N 1 0 265.313 1.772 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cccnc1 ZINC000119047246 186797152 /nfs/dbraw/zinc/79/71/52/186797152.db2.gz CDDZKGBRCVABPT-UHFFFAOYSA-N 1 0 261.285 1.318 20 5 CDBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000122067566 187013253 /nfs/dbraw/zinc/01/32/53/187013253.db2.gz AKPDCZNIFBNDAP-LBPRGKRZSA-N 1 0 268.317 1.416 20 5 CDBDRO C[C@]1(O)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000123884540 187113500 /nfs/dbraw/zinc/11/35/00/187113500.db2.gz VMIZMKNJMRWPRA-ZDUSSCGKSA-N 1 0 250.298 1.942 20 5 CDBDRO CCOC[C@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292045320 198144606 /nfs/dbraw/zinc/14/46/06/198144606.db2.gz AXLVOOIEDLENJO-LLVKDONJSA-N 1 0 282.340 1.817 20 5 CDBDRO CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)CO ZINC000292144218 198180421 /nfs/dbraw/zinc/18/04/21/198180421.db2.gz JRJOGJPUJGWLKB-ZWNOBZJWSA-N 1 0 268.313 1.331 20 5 CDBDRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000411375114 363199810 /nfs/dbraw/zinc/19/98/10/363199810.db2.gz OSYMLQDGYIWQLJ-DDTOSNHZSA-N 1 0 291.351 1.765 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000152562923 188029333 /nfs/dbraw/zinc/02/93/33/188029333.db2.gz RENYGGQQMJCMSZ-VIFPVBQESA-N 1 0 297.742 1.930 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000157127800 188299243 /nfs/dbraw/zinc/29/92/43/188299243.db2.gz OBYNXIISHYAJHZ-SNVBAGLBSA-N 1 0 285.731 1.961 20 5 CDBDRO [NH3+]CCCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000157649925 188330601 /nfs/dbraw/zinc/33/06/01/188330601.db2.gz OPHJLQWLKREQKH-UHFFFAOYSA-N 1 0 271.704 1.717 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000158869659 188398097 /nfs/dbraw/zinc/39/80/97/188398097.db2.gz LYDKUTZMTREUBR-OAHLLOKOSA-N 1 0 289.335 1.729 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1(O)CCOCC1 ZINC000112717164 366126062 /nfs/dbraw/zinc/12/60/62/366126062.db2.gz QHXZZMAQLDNXFS-UHFFFAOYSA-N 1 0 266.297 1.226 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[NH3+] ZINC000063170073 363277420 /nfs/dbraw/zinc/27/74/20/363277420.db2.gz OXVRDFITIIANMX-VIFPVBQESA-N 1 0 251.286 1.370 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000063193318 363383114 /nfs/dbraw/zinc/38/31/14/363383114.db2.gz QHRDELCXLZTONR-WCQYABFASA-N 1 0 291.351 1.866 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)c(F)c1 ZINC000411994163 363403355 /nfs/dbraw/zinc/40/33/55/363403355.db2.gz MUDFLOFXWYFBFF-FZMZJTMJSA-N 1 0 298.314 1.611 20 5 CDBDRO CC1(C)CC(NC(=O)c2c[nH]nc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000558731948 356041760 /nfs/dbraw/zinc/04/17/60/356041760.db2.gz DJDYDXLRGQKHIK-UHFFFAOYSA-N 1 0 295.343 1.357 20 5 CDBDRO CC(C)(C(=O)NC[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000273011335 192018711 /nfs/dbraw/zinc/01/87/11/192018711.db2.gz JKEWWXANQUXTAS-NSHDSACASA-N 1 0 291.351 1.598 20 5 CDBDRO COc1ccc(C[N@H+]2C[C@H](O)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000401510426 356253130 /nfs/dbraw/zinc/25/31/30/356253130.db2.gz VNFFJXYPXTYODG-CMPLNLGQSA-N 1 0 280.324 1.806 20 5 CDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ncc([N+](=O)[O-])cn1 ZINC000273553431 192199325 /nfs/dbraw/zinc/19/93/25/192199325.db2.gz AQXGEBYPRMPIJC-NSHDSACASA-N 1 0 279.344 1.695 20 5 CDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000192475067 283211672 /nfs/dbraw/zinc/21/16/72/283211672.db2.gz KLOSOWMVPUIUFD-PHIMTYICSA-N 1 0 275.308 1.228 20 5 CDBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)[C@H](C)C1 ZINC000286492973 356770154 /nfs/dbraw/zinc/77/01/54/356770154.db2.gz XKYAWAVBAFIYAS-SECBINFHSA-N 1 0 282.319 1.847 20 5 CDBDRO CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000286560006 357194127 /nfs/dbraw/zinc/19/41/27/357194127.db2.gz AHGDAVVAFCHLJI-LLVKDONJSA-N 1 0 277.324 1.761 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000379677955 357213793 /nfs/dbraw/zinc/21/37/93/357213793.db2.gz QSYOJIADDBHLBI-SKVAFPRGSA-N 1 0 277.324 1.580 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181020900 357303810 /nfs/dbraw/zinc/30/38/10/357303810.db2.gz GMTAPSOKGDEKSD-SNVBAGLBSA-N 1 0 294.355 1.637 20 5 CDBDRO CCC[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261878326 357338511 /nfs/dbraw/zinc/33/85/11/357338511.db2.gz TWCZQPWGEVNMFX-VIFPVBQESA-N 1 0 251.286 1.921 20 5 CDBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000185621384 357561264 /nfs/dbraw/zinc/56/12/64/357561264.db2.gz YPAMSRNTKQFGPX-WCQYABFASA-N 1 0 279.340 1.877 20 5 CDBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(C[NH3+])CC1 ZINC001579607736 1172223294 /nfs/dbraw/zinc/22/32/94/1172223294.db2.gz GFDVQONNAAVUEI-UHFFFAOYSA-N 1 0 295.314 1.853 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)cc1 ZINC000360767339 357684520 /nfs/dbraw/zinc/68/45/20/357684520.db2.gz UJPQHKQSMQXYBZ-CHWSQXEVSA-N 1 0 280.324 1.329 20 5 CDBDRO C[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000361106256 357800249 /nfs/dbraw/zinc/80/02/49/357800249.db2.gz FIGRHLRFJMXKGC-CHWSQXEVSA-N 1 0 293.367 1.966 20 5 CDBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cncc(F)c1 ZINC000361132120 357809615 /nfs/dbraw/zinc/80/96/15/357809615.db2.gz NQYONMFSYHIGLJ-VIFPVBQESA-N 1 0 279.275 1.676 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000135236580 357809909 /nfs/dbraw/zinc/80/99/09/357809909.db2.gz AJUVXJUAOCNLSO-ZWNOBZJWSA-N 1 0 277.324 1.713 20 5 CDBDRO CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294418620 199032467 /nfs/dbraw/zinc/03/24/67/199032467.db2.gz UFBXUAQSMDPGKN-WLTAIBSBSA-N 1 0 281.312 1.241 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CC[C@H](O)C2)c1 ZINC000188827818 357942709 /nfs/dbraw/zinc/94/27/09/357942709.db2.gz FMFLDFAAIAFBFS-AAEUAGOBSA-N 1 0 250.298 1.845 20 5 CDBDRO Cc1cc(OCC(=O)N[C@H](C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC001579639545 1172230919 /nfs/dbraw/zinc/23/09/19/1172230919.db2.gz OVDCWFWFGGXVMX-LLVKDONJSA-N 1 0 295.339 1.526 20 5 CDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000165913632 358279052 /nfs/dbraw/zinc/27/90/52/358279052.db2.gz HRBVNRHSDFXFEA-JTQLQIEISA-N 1 0 295.314 1.935 20 5 CDBDRO C[C@H]([NH3+])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000195168689 358415634 /nfs/dbraw/zinc/41/56/34/358415634.db2.gz OTEPTQYISVFKGM-ZETCQYMHSA-N 1 0 271.704 1.554 20 5 CDBDRO C[NH+](C)C[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000132979920 358590961 /nfs/dbraw/zinc/59/09/61/358590961.db2.gz MONGHNUUDZQMNN-LBPRGKRZSA-N 1 0 298.299 1.228 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000186809979 358826639 /nfs/dbraw/zinc/82/66/39/358826639.db2.gz HVSWZEPDKFXSAC-BKVNPXPRSA-N 1 0 289.335 1.722 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000186850985 358833453 /nfs/dbraw/zinc/83/34/53/358833453.db2.gz IYICNDUOBDUKSQ-ZWNOBZJWSA-N 1 0 277.324 1.252 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000566071079 366473516 /nfs/dbraw/zinc/47/35/16/366473516.db2.gz GMJRCZMDBDSTQR-GXSJLCMTSA-N 1 0 290.323 1.001 20 5 CDBDRO CCC[NH2+][C@@H](C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000296358303 199864507 /nfs/dbraw/zinc/86/45/07/199864507.db2.gz JIUIJDWXVBQCJA-JTQLQIEISA-N 1 0 265.313 1.599 20 5 CDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC(C)(C)O ZINC000267154043 358936940 /nfs/dbraw/zinc/93/69/40/358936940.db2.gz NMTHUOQSIGDMLN-JTQLQIEISA-N 1 0 295.339 1.625 20 5 CDBDRO CO[C@@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000451847990 359084919 /nfs/dbraw/zinc/08/49/19/359084919.db2.gz JJAMOIOZLIEJPY-QWHCGFSZSA-N 1 0 294.355 1.681 20 5 CDBDRO CC(C)CO[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000119794660 359108874 /nfs/dbraw/zinc/10/88/74/359108874.db2.gz ZLBQTKSFELMGQB-GFCCVEGCSA-N 1 0 282.344 1.538 20 5 CDBDRO COc1ccc(C[NH2+][C@@H](C)C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000049099258 359254389 /nfs/dbraw/zinc/25/43/89/359254389.db2.gz DGTNXDHFCFLAIH-VIFPVBQESA-N 1 0 281.312 1.170 20 5 CDBDRO NC(=O)c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000048436651 359205510 /nfs/dbraw/zinc/20/55/10/359205510.db2.gz MKHRBYJHPUFEKP-UHFFFAOYSA-N 1 0 285.303 1.984 20 5 CDBDRO CCCC[C@@H]([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015969 359275771 /nfs/dbraw/zinc/27/57/71/359275771.db2.gz DETVVRVXVRYKQD-LLVKDONJSA-N 1 0 265.313 1.729 20 5 CDBDRO CC[N@H+](C)CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000112925734 359364980 /nfs/dbraw/zinc/36/49/80/359364980.db2.gz WRDHLZXHBORWLV-RMKNXTFCSA-N 1 0 277.324 1.676 20 5 CDBDRO CC(C)(CO)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000339722977 359428605 /nfs/dbraw/zinc/42/86/05/359428605.db2.gz ADOMMVGTSQBCHW-LBPRGKRZSA-N 1 0 282.344 1.178 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](C1CC1)C(C)(C)CO ZINC000339728052 359428608 /nfs/dbraw/zinc/42/86/08/359428608.db2.gz HOLDEOAGGVOAAC-LLVKDONJSA-N 1 0 282.344 1.215 20 5 CDBDRO Cc1c(CC(=O)NCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000156490079 237077816 /nfs/dbraw/zinc/07/78/16/237077816.db2.gz DFDUHQFNMIRKGK-UHFFFAOYSA-N 1 0 265.313 1.124 20 5 CDBDRO CC(C)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000339911059 359502282 /nfs/dbraw/zinc/50/22/82/359502282.db2.gz BQIGSLJNOAXMML-UHFFFAOYSA-N 1 0 294.355 1.347 20 5 CDBDRO C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000050162583 359599537 /nfs/dbraw/zinc/59/95/37/359599537.db2.gz AFMAXSQRCHZTNB-DGCLKSJQSA-N 1 0 291.351 1.642 20 5 CDBDRO CCCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000347917156 359948671 /nfs/dbraw/zinc/94/86/71/359948671.db2.gz HRIUBSPXZPVSPR-UHFFFAOYSA-N 1 0 268.317 1.337 20 5 CDBDRO C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000298362723 200406622 /nfs/dbraw/zinc/40/66/22/200406622.db2.gz RABXHSZKAJXKRN-SECBINFHSA-N 1 0 251.286 1.275 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000235639120 360217798 /nfs/dbraw/zinc/21/77/98/360217798.db2.gz RWFRPGMFODZMKM-XVKPBYJWSA-N 1 0 283.715 1.667 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[NH2+]C2)n1 ZINC000162855434 360574639 /nfs/dbraw/zinc/57/46/39/360574639.db2.gz YPNYAMMRPCVLMI-SNVBAGLBSA-N 1 0 250.302 1.710 20 5 CDBDRO C[C@H]([N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1(C)CC1 ZINC000177223142 238275624 /nfs/dbraw/zinc/27/56/24/238275624.db2.gz HQJRFNIWKROETD-JQWIXIFHSA-N 1 0 282.344 1.273 20 5 CDBDRO C[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000121126197 360979194 /nfs/dbraw/zinc/97/91/94/360979194.db2.gz HDDGJNQZAFBLIW-UHFFFAOYSA-N 1 0 271.704 1.588 20 5 CDBDRO CC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000340465875 360990644 /nfs/dbraw/zinc/99/06/44/360990644.db2.gz OHIHAKKYKIKRMP-UHFFFAOYSA-N 1 0 266.301 1.137 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000036281758 361420009 /nfs/dbraw/zinc/42/00/09/361420009.db2.gz MFDLVOZSKLOMEM-UHFFFAOYSA-N 1 0 251.286 1.324 20 5 CDBDRO COC[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000172882438 363842337 /nfs/dbraw/zinc/84/23/37/363842337.db2.gz YDFFDPVKKGLUHF-LBPRGKRZSA-N 1 0 296.323 1.321 20 5 CDBDRO Cn1c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000345853411 364043546 /nfs/dbraw/zinc/04/35/46/364043546.db2.gz OCEZZRUJEDZKBQ-MNOVXSKESA-N 1 0 292.339 1.290 20 5 CDBDRO COc1ccc(CN2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000088060266 364048512 /nfs/dbraw/zinc/04/85/12/364048512.db2.gz MADILVDXSAIEJS-JTQLQIEISA-N 1 0 265.313 1.397 20 5 CDBDRO Cc1ccc(C[NH2+]CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000035012526 364615531 /nfs/dbraw/zinc/61/55/31/364615531.db2.gz JKVTYTVXTOFMAZ-UHFFFAOYSA-N 1 0 251.286 1.081 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])o2)CCC1 ZINC000275867040 193149972 /nfs/dbraw/zinc/14/99/72/193149972.db2.gz JLRVKYFHOIQUSZ-UHFFFAOYSA-N 1 0 267.285 1.402 20 5 CDBDRO CC[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000270826089 366935015 /nfs/dbraw/zinc/93/50/15/366935015.db2.gz BXUGDUWGALDCKB-FZMZJTMJSA-N 1 0 280.324 1.676 20 5 CDBDRO Cc1c(NC(=O)NCCCC[NH3+])cccc1[N+](=O)[O-] ZINC000414690954 241326082 /nfs/dbraw/zinc/32/60/82/241326082.db2.gz BCMLCXZUGNWVHF-UHFFFAOYSA-N 1 0 266.301 1.764 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000094340097 366982934 /nfs/dbraw/zinc/98/29/34/366982934.db2.gz MPCLBTBXZBFLMI-BXKDBHETSA-N 1 0 263.297 1.404 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H](C)C[NH3+] ZINC000414648724 241300294 /nfs/dbraw/zinc/30/02/94/241300294.db2.gz BIOKGLKTUHFOCB-MRVPVSSYSA-N 1 0 282.300 1.414 20 5 CDBDRO Cc1c(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000094339522 367021851 /nfs/dbraw/zinc/02/18/51/367021851.db2.gz YIWYFGVZMZVEFV-JOYOIKCWSA-N 1 0 277.324 1.713 20 5 CDBDRO Cc1c(NC(=O)N2CC[NH2+][C@H](C)C2)cccc1[N+](=O)[O-] ZINC000414700937 241335960 /nfs/dbraw/zinc/33/59/60/241335960.db2.gz KIDIUONXNWMXFH-SECBINFHSA-N 1 0 278.312 1.729 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNCc1ccc([N+](=O)[O-])cc1F ZINC000414802279 241396009 /nfs/dbraw/zinc/39/60/09/241396009.db2.gz VKUBYLAJHGQDIK-LBPRGKRZSA-N 1 0 255.293 1.807 20 5 CDBDRO O=[N+]([O-])c1ccccc1CNC[C@@H]1C[NH2+]CCCO1 ZINC000415042530 241530947 /nfs/dbraw/zinc/53/09/47/241530947.db2.gz QQELAVNCNCMRPI-LBPRGKRZSA-N 1 0 265.313 1.063 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000272175293 367275389 /nfs/dbraw/zinc/27/53/89/367275389.db2.gz CLFVQBLKQDCIIB-AAEUAGOBSA-N 1 0 291.351 1.723 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCC[C@@H]1OC(F)F ZINC000348522797 367456767 /nfs/dbraw/zinc/45/67/67/367456767.db2.gz ZTOLVNPUNNCYON-CBAPKCEASA-N 1 0 290.270 1.578 20 5 CDBDRO COC(=O)[C@H](C)N(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000280796915 367537716 /nfs/dbraw/zinc/53/77/16/367537716.db2.gz IBOJPVWOCLZQDU-JTQLQIEISA-N 1 0 266.297 1.897 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000348636920 367598444 /nfs/dbraw/zinc/59/84/44/367598444.db2.gz SBNJVKNERPLBRY-XBJHSPDSSA-N 1 0 292.335 1.690 20 5 CDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418383254 243009455 /nfs/dbraw/zinc/00/94/55/243009455.db2.gz NHBPCMYNZJOEQM-LBPRGKRZSA-N 1 0 292.339 1.141 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418503756 243152353 /nfs/dbraw/zinc/15/23/53/243152353.db2.gz YRUZOCCVBVVFQE-GFCCVEGCSA-N 1 0 292.339 1.474 20 5 CDBDRO [NH3+][C@@]12CCC[C@@H]1CN(c1ncc([N+](=O)[O-])cc1Cl)C2 ZINC001580158620 1172366569 /nfs/dbraw/zinc/36/65/69/1172366569.db2.gz URJIIVZQEWMQRB-PRHODGIISA-N 1 0 282.731 1.961 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418698545 243352053 /nfs/dbraw/zinc/35/20/53/243352053.db2.gz NCCQQVGYWUGYMC-GFCCVEGCSA-N 1 0 292.339 1.400 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000418738821 243392505 /nfs/dbraw/zinc/39/25/05/243392505.db2.gz XSWOOXWCGLCRDO-LLVKDONJSA-N 1 0 280.328 1.474 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000089091233 368863910 /nfs/dbraw/zinc/86/39/10/368863910.db2.gz ZVFRHAZNUASYPQ-JGVFFNPUSA-N 1 0 253.258 1.045 20 5 CDBDRO CNC(=O)CC[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000170781011 369084019 /nfs/dbraw/zinc/08/40/19/369084019.db2.gz BMGMTYRSLUNTOM-UHFFFAOYSA-N 1 0 295.339 1.432 20 5 CDBDRO [NH3+][C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420270786 244005347 /nfs/dbraw/zinc/00/53/47/244005347.db2.gz JLFTUAOHHXPSED-MRVPVSSYSA-N 1 0 298.730 1.220 20 5 CDBDRO C[NH2+]CCN(C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000420333270 244098531 /nfs/dbraw/zinc/09/85/31/244098531.db2.gz DAHIFRVPSQKOJF-UHFFFAOYSA-N 1 0 294.355 1.383 20 5 CDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH2+][C@@H](C)C1 ZINC000420333152 244099051 /nfs/dbraw/zinc/09/90/51/244099051.db2.gz HLXZYBIDKQNMQJ-QWRGUYRKSA-N 1 0 292.339 1.216 20 5 CDBDRO C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000420340569 244112470 /nfs/dbraw/zinc/11/24/70/244112470.db2.gz SPKWWBTZJRFKIN-SECBINFHSA-N 1 0 253.277 1.528 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN[C@H](C[NH3+])C1CCCCC1 ZINC000420376672 244170135 /nfs/dbraw/zinc/17/01/35/244170135.db2.gz VJZLMYWUHUDEPU-LLVKDONJSA-N 1 0 281.360 1.326 20 5 CDBDRO COC(=O)c1cnc(NCC(C)(C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000276537692 193372173 /nfs/dbraw/zinc/37/21/73/193372173.db2.gz IOHZVLCYECFCEH-UHFFFAOYSA-N 1 0 296.327 1.529 20 5 CDBDRO CCC[C@@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000295417269 370200887 /nfs/dbraw/zinc/20/08/87/370200887.db2.gz DRFRXFXWKNFVPP-OAHLLOKOSA-N 1 0 293.367 1.878 20 5 CDBDRO C[C@H]1COCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000295749369 370618937 /nfs/dbraw/zinc/61/89/37/370618937.db2.gz QPTVJDBRNBTHKG-AAEUAGOBSA-N 1 0 296.323 1.055 20 5 CDBDRO C[NH2+]CCCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000422732516 245190479 /nfs/dbraw/zinc/19/04/79/245190479.db2.gz OTKPZTYSJOIMNX-UHFFFAOYSA-N 1 0 265.313 1.171 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000422782118 245250443 /nfs/dbraw/zinc/25/04/43/245250443.db2.gz JJHNZJNELORXSO-NSHDSACASA-N 1 0 277.324 1.693 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)C[NH3+] ZINC000422838174 245318962 /nfs/dbraw/zinc/31/89/62/245318962.db2.gz WJQXZRKUCRNHKZ-JTQLQIEISA-N 1 0 265.313 1.631 20 5 CDBDRO CC[NH2+][C@H](C)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000414956776 371167883 /nfs/dbraw/zinc/16/78/83/371167883.db2.gz NTPKNZJKPAAIJW-LLVKDONJSA-N 1 0 251.330 1.991 20 5 CDBDRO CCn1nccc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000289877333 197514594 /nfs/dbraw/zinc/51/45/94/197514594.db2.gz RUHCSXFZXAKRAI-UHFFFAOYSA-N 1 0 289.339 1.777 20 5 CDBDRO CCC[C@@H]([NH3+])C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810248 373400828 /nfs/dbraw/zinc/40/08/28/373400828.db2.gz MPDQLAZZSHFZTO-LLVKDONJSA-N 1 0 265.313 1.681 20 5 CDBDRO COc1cc(C(=O)NCC2([NH3+])CCC2)cc([N+](=O)[O-])c1C ZINC000423517740 245877128 /nfs/dbraw/zinc/87/71/28/245877128.db2.gz YOWOUZQERLQCSH-UHFFFAOYSA-N 1 0 293.323 1.523 20 5 CDBDRO [NH3+]C[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000417764360 374253183 /nfs/dbraw/zinc/25/31/83/374253183.db2.gz LZUCEBLABOJVBP-LBPRGKRZSA-N 1 0 292.339 1.174 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1OCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000418943614 374268851 /nfs/dbraw/zinc/26/88/51/374268851.db2.gz JCUKCLISJIEHSF-PHIMTYICSA-N 1 0 296.298 1.976 20 5 CDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+](C)C ZINC000120093627 296212016 /nfs/dbraw/zinc/21/20/16/296212016.db2.gz SJBIUSNTNCRTRE-SNVBAGLBSA-N 1 0 297.380 1.753 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@@H]1NCCc1cccc([N+](=O)[O-])c1 ZINC000423011838 374366300 /nfs/dbraw/zinc/36/63/00/374366300.db2.gz JMEWHZSUOWZDEK-FZMZJTMJSA-N 1 0 263.341 1.725 20 5 CDBDRO C[C@@H](C[C@@H]1COCCN1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423017390 374369181 /nfs/dbraw/zinc/36/91/81/374369181.db2.gz WGORLJXDWQQPMO-GXTWGEPZSA-N 1 0 293.367 1.494 20 5 CDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261756830 296217549 /nfs/dbraw/zinc/21/75/49/296217549.db2.gz UMJXYXDCSDBNEH-NXEZZACHSA-N 1 0 293.298 1.415 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000070447072 374662609 /nfs/dbraw/zinc/66/26/09/374662609.db2.gz GVHLWYIHCHQFAW-GFCCVEGCSA-N 1 0 265.313 1.616 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000299508583 374678530 /nfs/dbraw/zinc/67/85/30/374678530.db2.gz LXWMVHBNGIZTDW-GFCCVEGCSA-N 1 0 293.323 1.314 20 5 CDBDRO CC(C)(CNC(=O)c1[nH]ncc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000276755504 374747748 /nfs/dbraw/zinc/74/77/48/374747748.db2.gz FMOVFHGVWMTDNK-UHFFFAOYSA-N 1 0 295.343 1.170 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)[C@H]2CCCO2)c(F)c1 ZINC000447911970 374720956 /nfs/dbraw/zinc/72/09/56/374720956.db2.gz IZWSDTSBAPRRLF-QWHCGFSZSA-N 1 0 284.287 1.363 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H](CO)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000447968770 374727932 /nfs/dbraw/zinc/72/79/32/374727932.db2.gz RUMWOOKKIILYHD-JSGCOSHPSA-N 1 0 280.324 1.533 20 5 CDBDRO CCOCC[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000093315903 374741940 /nfs/dbraw/zinc/74/19/40/374741940.db2.gz GSZPCXAPNICKOZ-UHFFFAOYSA-N 1 0 298.339 1.951 20 5 CDBDRO Cc1c(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000094339520 374831498 /nfs/dbraw/zinc/83/14/98/374831498.db2.gz YIWYFGVZMZVEFV-BXKDBHETSA-N 1 0 277.324 1.713 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)[NH+](C)C ZINC000277586731 374797224 /nfs/dbraw/zinc/79/72/24/374797224.db2.gz MQXKDWVZVFFWKN-SECBINFHSA-N 1 0 281.312 1.283 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000449522142 374816244 /nfs/dbraw/zinc/81/62/44/374816244.db2.gz VZJXDVYCJMYJPW-OCCSQVGLSA-N 1 0 261.325 1.731 20 5 CDBDRO CCN1C[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1=O ZINC000449518944 374816773 /nfs/dbraw/zinc/81/67/73/374816773.db2.gz OZOUPXYVFOQHAD-VGVVRCBHSA-N 1 0 289.335 1.818 20 5 CDBDRO CC[NH+]1C[C@@H](C)N(CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000331329631 374930879 /nfs/dbraw/zinc/93/08/79/374930879.db2.gz HBUNTWBKUNVHOS-VXGBXAGGSA-N 1 0 281.360 1.206 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CC=CCC2)c1 ZINC000280353127 374994232 /nfs/dbraw/zinc/99/42/32/374994232.db2.gz XLMUBOSVZUVNRD-UHFFFAOYSA-N 1 0 289.335 1.895 20 5 CDBDRO O=C(CC[N@H+]1CCC[C@@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000282560612 375093413 /nfs/dbraw/zinc/09/34/13/375093413.db2.gz DRKDMCWASKRWRI-LLVKDONJSA-N 1 0 293.323 1.380 20 5 CDBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCF ZINC000282581607 375094909 /nfs/dbraw/zinc/09/49/09/375094909.db2.gz GCJNWDCYJCPBLK-SECBINFHSA-N 1 0 269.276 1.159 20 5 CDBDRO C[C@@H](CO)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000282835198 375102552 /nfs/dbraw/zinc/10/25/52/375102552.db2.gz RAYWYSBHFKWTFU-JTQLQIEISA-N 1 0 254.286 1.286 20 5 CDBDRO COCCCNC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000299571404 375181474 /nfs/dbraw/zinc/18/14/74/375181474.db2.gz HFEQQTNCGRWKTI-NSHDSACASA-N 1 0 295.339 1.398 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000299611433 375185678 /nfs/dbraw/zinc/18/56/78/375185678.db2.gz YYCBYRWHMSSZNM-GWCFXTLKSA-N 1 0 277.324 1.866 20 5 CDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000225744101 375194144 /nfs/dbraw/zinc/19/41/44/375194144.db2.gz GOMMAHNCMRDFQG-NSHDSACASA-N 1 0 282.319 1.392 20 5 CDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC000493497650 375459125 /nfs/dbraw/zinc/45/91/25/375459125.db2.gz XYFLOKQIRHXIBM-HYXAFXHYSA-N 1 0 293.298 1.569 20 5 CDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC000493497649 375459277 /nfs/dbraw/zinc/45/92/77/375459277.db2.gz XYFLOKQIRHXIBM-HWKANZROSA-N 1 0 293.298 1.569 20 5 CDBDRO Cc1nc(NCC(C)(C)C[NH+](C)C)ncc1[N+](=O)[O-] ZINC000296285515 375406583 /nfs/dbraw/zinc/40/65/83/375406583.db2.gz HLDMXPFFYUWSRQ-UHFFFAOYSA-N 1 0 267.333 1.693 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC000304316517 375427855 /nfs/dbraw/zinc/42/78/55/375427855.db2.gz ONPGJNGZVARSGT-IACUBPJLSA-N 1 0 294.355 1.417 20 5 CDBDRO C[C@H](CO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602527473 375485473 /nfs/dbraw/zinc/48/54/73/375485473.db2.gz QHILNEUHVAEIFH-RXMQYKEDSA-N 1 0 295.158 1.889 20 5 CDBDRO CCOC(=O)[C@@H](C)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000353614316 375633261 /nfs/dbraw/zinc/63/32/61/375633261.db2.gz SFRDGXAMUDYDAD-SNVBAGLBSA-N 1 0 266.297 1.978 20 5 CDBDRO Cc1nn(C)c(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000133522609 375794537 /nfs/dbraw/zinc/79/45/37/375794537.db2.gz FHMOIKYRYZGUHR-WCBMZHEXSA-N 1 0 279.344 1.674 20 5 CDBDRO C[C@@H]1[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000356881821 375865932 /nfs/dbraw/zinc/86/59/32/375865932.db2.gz OSUIRRGCEGXWDO-NEPJUHHUSA-N 1 0 291.351 1.688 20 5 CDBDRO COC[C@@H](CCO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000219134824 375954225 /nfs/dbraw/zinc/95/42/25/375954225.db2.gz JDDRZLJJRXKKKH-LLVKDONJSA-N 1 0 254.286 1.082 20 5 CDBDRO CC(=O)c1ccc(NC[C@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000358337736 375961616 /nfs/dbraw/zinc/96/16/16/375961616.db2.gz MDQVCOXLSOLFDH-CQSZACIVSA-N 1 0 293.323 1.276 20 5 CDBDRO CCC[N@H+](CC)C[C@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000357809951 375935575 /nfs/dbraw/zinc/93/55/75/375935575.db2.gz QEBNLJSCRDUOSF-JTQLQIEISA-N 1 0 269.349 1.861 20 5 CDBDRO COCC[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000171099004 376121008 /nfs/dbraw/zinc/12/10/08/376121008.db2.gz WDSJQSKQLCIAJT-UHFFFAOYSA-N 1 0 296.327 1.295 20 5 CDBDRO COc1ccc(CNC(=O)[C@@H](C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000433127306 247987701 /nfs/dbraw/zinc/98/77/01/247987701.db2.gz HMKCOBFPZRGJDJ-NSHDSACASA-N 1 0 295.339 1.451 20 5 CDBDRO O=C1CCC[C@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])N1 ZINC000433189855 248005069 /nfs/dbraw/zinc/00/50/69/248005069.db2.gz DZEMHLSFRZVQAM-RYWCDNDXSA-N 1 0 289.335 1.866 20 5 CDBDRO CCc1n[nH]c(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000171808594 377055697 /nfs/dbraw/zinc/05/56/97/377055697.db2.gz ZGVHFWGUFRDTKX-MRVPVSSYSA-N 1 0 295.343 1.093 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000189311984 377228446 /nfs/dbraw/zinc/22/84/46/377228446.db2.gz NQXSBQABTLUBST-LAYPKJJOSA-N 1 0 289.335 1.865 20 5 CDBDRO COC[C@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173471476 378455765 /nfs/dbraw/zinc/45/57/65/378455765.db2.gz FMGHKPPUDMGZHS-QWRGUYRKSA-N 1 0 280.328 1.511 20 5 CDBDRO CCc1ccc(C(=O)NCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000266935367 378875995 /nfs/dbraw/zinc/87/59/95/378875995.db2.gz OMPLPMBUYATKOU-UHFFFAOYSA-N 1 0 291.351 1.981 20 5 CDBDRO C[C@@H]1OCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278804255 194161925 /nfs/dbraw/zinc/16/19/25/194161925.db2.gz YANPVWZBEOCSMS-WPRPVWTQSA-N 1 0 276.296 1.738 20 5 CDBDRO C[C@H]1OCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278804241 194162167 /nfs/dbraw/zinc/16/21/67/194162167.db2.gz YANPVWZBEOCSMS-PSASIEDQSA-N 1 0 276.296 1.738 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC3(CCCC3)C2)c1 ZINC000174274987 379432638 /nfs/dbraw/zinc/43/26/38/379432638.db2.gz CWQCUHQWUIWZGY-CYBMUJFWSA-N 1 0 294.355 1.418 20 5 CDBDRO CO[C@@]1(C)C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000174882592 379606286 /nfs/dbraw/zinc/60/62/86/379606286.db2.gz LOTYAADTCWECRP-JSGCOSHPSA-N 1 0 296.371 1.927 20 5 CDBDRO Cc1nc(NC[C@H](C)[N@@H+]2CCCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000450255449 251194773 /nfs/dbraw/zinc/19/47/73/251194773.db2.gz BSWNSRWFUSUOTQ-MNOVXSKESA-N 1 0 293.371 1.790 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CCC[N@H+]1CCCO ZINC000450598788 251359706 /nfs/dbraw/zinc/35/97/06/251359706.db2.gz RFHFRRBXAHDHPR-GFCCVEGCSA-N 1 0 297.330 1.993 20 5 CDBDRO C[C@]1(C(N)=O)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000280870261 195009604 /nfs/dbraw/zinc/00/96/04/195009604.db2.gz ZMPXNKBBAOPLFU-AWEZNQCLSA-N 1 0 293.323 1.171 20 5 CDBDRO CC[C@@H]([NH2+][C@H]1COC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000463160466 252808161 /nfs/dbraw/zinc/80/81/61/252808161.db2.gz DYQHDAGOIQMETC-FRRDWIJNSA-N 1 0 266.297 1.395 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C1([NH3+])CCCC1 ZINC000490032782 253024409 /nfs/dbraw/zinc/02/44/09/253024409.db2.gz BYOROSNTLQKEEO-UHFFFAOYSA-N 1 0 293.323 1.491 20 5 CDBDRO C[NH+](C)C/C=C/C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000491861326 253106128 /nfs/dbraw/zinc/10/61/28/253106128.db2.gz ABFOQQMKBRWPDV-QPJJXVBHSA-N 1 0 275.308 1.602 20 5 CDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCC1 ZINC000492189707 253172334 /nfs/dbraw/zinc/17/23/34/253172334.db2.gz JRCFYHDAUXPUDL-QPJJXVBHSA-N 1 0 275.308 1.430 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC[N@@H+](CCO)CC1 ZINC000069562945 285095037 /nfs/dbraw/zinc/09/50/37/285095037.db2.gz RBTVSZNLIIZJLB-UHFFFAOYSA-N 1 0 283.303 1.238 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000493136501 253380443 /nfs/dbraw/zinc/38/04/43/253380443.db2.gz DIMBTRCFADDPIZ-DDYKLSTKSA-N 1 0 293.298 1.553 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000288890960 197187197 /nfs/dbraw/zinc/18/71/97/197187197.db2.gz AUMZHYDODFYREL-ZDUSSCGKSA-N 1 0 295.364 1.872 20 5 CDBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)OCCO ZINC000288359435 197058265 /nfs/dbraw/zinc/05/82/65/197058265.db2.gz CUKMTGQNLPEGDP-UHFFFAOYSA-N 1 0 268.313 1.472 20 5 CDBDRO COc1ccc(OCC[N@@H+](C)C[C@@H](C)OC)c([N+](=O)[O-])c1 ZINC000285874496 390186007 /nfs/dbraw/zinc/18/60/07/390186007.db2.gz YJVDQKVDBDFJNL-LLVKDONJSA-N 1 0 298.339 1.949 20 5 CDBDRO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449276877 391054862 /nfs/dbraw/zinc/05/48/62/391054862.db2.gz DDIUQEBWRLBFMK-RYUDHWBXSA-N 1 0 293.367 1.982 20 5 CDBDRO COCC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413127283 391162956 /nfs/dbraw/zinc/16/29/56/391162956.db2.gz ASLLPBWALHIUFL-VIFPVBQESA-N 1 0 284.291 1.262 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000311990069 533573072 /nfs/dbraw/zinc/57/30/72/533573072.db2.gz SBTAHVSBCNPTNW-VAWSOJLPSA-N 1 0 263.297 1.462 20 5 CDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@H](C)[NH3+] ZINC000394576900 391189729 /nfs/dbraw/zinc/18/97/29/391189729.db2.gz WRIBWJQBFYFCEG-NKWVEPMBSA-N 1 0 255.249 1.199 20 5 CDBDRO C[C@@H](O)CC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000304291514 533612075 /nfs/dbraw/zinc/61/20/75/533612075.db2.gz CQRHBULFKLUPLM-GHMZBOCLSA-N 1 0 295.339 1.625 20 5 CDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CNCCO1 ZINC000415092525 391257099 /nfs/dbraw/zinc/25/70/99/391257099.db2.gz GIXLNBSLAQWJNI-JSGCOSHPSA-N 1 0 293.367 1.494 20 5 CDBDRO COc1ccc(NC(=O)N[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000415438686 391431642 /nfs/dbraw/zinc/43/16/42/391431642.db2.gz MIULFTNVHZHXEG-ZETCQYMHSA-N 1 0 268.273 1.072 20 5 CDBDRO Cc1cc(NC(=O)N[C@@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000415432731 391431833 /nfs/dbraw/zinc/43/18/33/391431833.db2.gz LRPPBSJJRSGJRJ-QMMMGPOBSA-N 1 0 252.274 1.372 20 5 CDBDRO Cc1cc(NC(=O)N2CCO[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000415444616 391442211 /nfs/dbraw/zinc/44/22/11/391442211.db2.gz VKMMHKQLOFQYKY-LLVKDONJSA-N 1 0 294.311 1.095 20 5 CDBDRO CC[NH2+]CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000415584045 391467706 /nfs/dbraw/zinc/46/77/06/391467706.db2.gz RYNOBRBSBMEMCG-UHFFFAOYSA-N 1 0 280.328 1.943 20 5 CDBDRO CC1(C)CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000415628355 391469795 /nfs/dbraw/zinc/46/97/95/391469795.db2.gz DZEVTHGPOUGYQH-UHFFFAOYSA-N 1 0 296.302 1.950 20 5 CDBDRO CCOC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268973549 391476399 /nfs/dbraw/zinc/47/63/99/391476399.db2.gz INSZDWGWWQRORQ-AAEUAGOBSA-N 1 0 282.340 1.951 20 5 CDBDRO C[C@@H](CO)[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CCCC1 ZINC000347244114 391562779 /nfs/dbraw/zinc/56/27/79/391562779.db2.gz ZCPXFDSFLLDXCH-JTQLQIEISA-N 1 0 282.344 1.454 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000127363236 391523187 /nfs/dbraw/zinc/52/31/87/391523187.db2.gz NEFBVOVMFGIYPJ-ZJUUUORDSA-N 1 0 250.302 1.472 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000449595143 391648611 /nfs/dbraw/zinc/64/86/11/391648611.db2.gz ZYQLMOMITYQMAK-SFYZADRCSA-N 1 0 285.731 1.643 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237965117 391705753 /nfs/dbraw/zinc/70/57/53/391705753.db2.gz IRCVPUSQADILNK-VIFPVBQESA-N 1 0 289.295 1.034 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@H]1CO ZINC000189733754 130018029 /nfs/dbraw/zinc/01/80/29/130018029.db2.gz IDGYCVGYPGMFQT-GXFFZTMASA-N 1 0 280.324 1.806 20 5 CDBDRO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1CC(O)C1 ZINC000190117835 130062810 /nfs/dbraw/zinc/06/28/10/130062810.db2.gz HBNDURMDLCHJAI-UHFFFAOYSA-N 1 0 291.307 1.939 20 5 CDBDRO CCc1nn(C)c(N2CC[N@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000487046241 391834421 /nfs/dbraw/zinc/83/44/21/391834421.db2.gz MYKMAKCONDATOH-GFCCVEGCSA-N 1 0 295.387 1.667 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000458168297 391847495 /nfs/dbraw/zinc/84/74/95/391847495.db2.gz DSYWUABNMKAFGT-JTQLQIEISA-N 1 0 280.328 1.385 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000449164121 391998592 /nfs/dbraw/zinc/99/85/92/391998592.db2.gz XZGSZHUEKSIEQJ-DGCLKSJQSA-N 1 0 291.351 1.736 20 5 CDBDRO CCC[C@@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000236912053 392110862 /nfs/dbraw/zinc/11/08/62/392110862.db2.gz GIQIGFJRBGEKFP-LLVKDONJSA-N 1 0 263.297 1.611 20 5 CDBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[NH3+])cc1SC ZINC000237190113 131011828 /nfs/dbraw/zinc/01/18/28/131011828.db2.gz JHVXHLRBVBXHSF-UHFFFAOYSA-N 1 0 285.325 1.014 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCCC[NH3+])c1 ZINC000237280761 131020353 /nfs/dbraw/zinc/02/03/53/131020353.db2.gz STRZFJIBRHODQO-UHFFFAOYSA-N 1 0 283.353 1.785 20 5 CDBDRO Cc1c(CC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000237613082 131047304 /nfs/dbraw/zinc/04/73/04/131047304.db2.gz FRZNGFPPCFDMPY-QWRGUYRKSA-N 1 0 291.351 1.655 20 5 CDBDRO C[C@@H](C[NH3+])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000262290654 131209295 /nfs/dbraw/zinc/20/92/95/131209295.db2.gz YKXPTWOQBUMKRB-QMMMGPOBSA-N 1 0 285.731 1.801 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCC[C@@H]1CC[NH2+]C1 ZINC000262566348 131234334 /nfs/dbraw/zinc/23/43/34/131234334.db2.gz DFVJGKYBVQLNMR-ZDUSSCGKSA-N 1 0 291.351 1.643 20 5 CDBDRO Cc1c(C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000262778933 131261082 /nfs/dbraw/zinc/26/10/82/131261082.db2.gz LYUZFYWCAPRXMH-WDEREUQCSA-N 1 0 277.324 1.726 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000262811877 131263589 /nfs/dbraw/zinc/26/35/89/131263589.db2.gz OUTLSVOFLLOYLZ-BXKDBHETSA-N 1 0 293.323 1.331 20 5 CDBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000263897597 131355541 /nfs/dbraw/zinc/35/55/41/131355541.db2.gz BHGGCKKHJKYKSQ-VIFPVBQESA-N 1 0 267.285 1.354 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCO)CC2)cc1 ZINC000263969510 131371065 /nfs/dbraw/zinc/37/10/65/131371065.db2.gz AUDPJEXOHOENIS-UHFFFAOYSA-N 1 0 279.340 1.489 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(OC3CCC3)CC2)c1 ZINC000419283256 392890260 /nfs/dbraw/zinc/89/02/60/392890260.db2.gz JNTAIGVQYLKOEA-UHFFFAOYSA-N 1 0 294.355 1.825 20 5 CDBDRO Cc1nc(NCc2ccc3c(c2)C[NH2+]C3)ncc1[N+](=O)[O-] ZINC000420237351 392911582 /nfs/dbraw/zinc/91/15/82/392911582.db2.gz MCNJALCYRVFQNU-UHFFFAOYSA-N 1 0 285.307 1.330 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417715418 392872993 /nfs/dbraw/zinc/87/29/93/392872993.db2.gz IRMKHFYAAJNBBC-LLVKDONJSA-N 1 0 294.355 1.564 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000522167366 392874606 /nfs/dbraw/zinc/87/46/06/392874606.db2.gz COTBOZCWUSLVHC-NSHDSACASA-N 1 0 294.355 1.393 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[NH2+]C)c1 ZINC000423639487 392965631 /nfs/dbraw/zinc/96/56/31/392965631.db2.gz VQZRKGYTKSRXJU-VIFPVBQESA-N 1 0 281.312 1.331 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000430221502 393093341 /nfs/dbraw/zinc/09/33/41/393093341.db2.gz RHBIOKJIPQNTBX-QWRGUYRKSA-N 1 0 280.324 1.806 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1C[NH3+] ZINC000430592811 393102705 /nfs/dbraw/zinc/10/27/05/393102705.db2.gz HZSDTKJCAXZYGG-LBPRGKRZSA-N 1 0 292.339 1.265 20 5 CDBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC[NH2+]CC1 ZINC000431066902 393106519 /nfs/dbraw/zinc/10/65/19/393106519.db2.gz OUZYOWRVPALEER-UHFFFAOYSA-N 1 0 281.360 1.255 20 5 CDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000532080415 393066151 /nfs/dbraw/zinc/06/61/51/393066151.db2.gz WRBGGPFLCBLPQM-JOYOIKCWSA-N 1 0 292.339 1.146 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC(=O)NC1 ZINC000449134153 393129989 /nfs/dbraw/zinc/12/99/89/393129989.db2.gz HFJWZMYBZHLZSU-JQWIXIFHSA-N 1 0 277.324 1.394 20 5 CDBDRO CCn1ncnc1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449296389 393134234 /nfs/dbraw/zinc/13/42/34/393134234.db2.gz BDNYLLRLAZDZLW-NSHDSACASA-N 1 0 289.339 1.927 20 5 CDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000449614559 393135580 /nfs/dbraw/zinc/13/55/80/393135580.db2.gz HXIISAAJVHQTOV-AYBYRNOTSA-N 1 0 278.312 1.169 20 5 CDBDRO Cc1nn(C)c(NC[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000037647717 393223051 /nfs/dbraw/zinc/22/30/51/393223051.db2.gz DMSMUOYVACPUJB-SECBINFHSA-N 1 0 253.306 1.000 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000162614882 393209420 /nfs/dbraw/zinc/20/94/20/393209420.db2.gz VETJFUHHNFCXGG-SNVBAGLBSA-N 1 0 262.313 1.947 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000132759683 139856991 /nfs/dbraw/zinc/85/69/91/139856991.db2.gz JTTHYLQESORCBY-VHSXEESVSA-N 1 0 295.314 1.933 20 5 CDBDRO Cc1ccc(C[NH2+]CCc2ccn(C)n2)cc1[N+](=O)[O-] ZINC000230882743 140214377 /nfs/dbraw/zinc/21/43/77/140214377.db2.gz WZBOCAZKUQMRAB-UHFFFAOYSA-N 1 0 274.324 1.969 20 5 CDBDRO C[C@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000261572597 140352340 /nfs/dbraw/zinc/35/23/40/140352340.db2.gz LTAWCRWWFWHAJR-VIFPVBQESA-N 1 0 253.277 1.528 20 5 CDBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH3+] ZINC000261581011 140355138 /nfs/dbraw/zinc/35/51/38/140355138.db2.gz QHARAPJLKFVNET-QPUJVOFHSA-N 1 0 253.277 1.513 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261707759 140379323 /nfs/dbraw/zinc/37/93/23/140379323.db2.gz OYDYZTNRPXDQMA-AAEUAGOBSA-N 1 0 291.351 1.645 20 5 CDBDRO COc1cc(N2CC[C@@]3(CC[NH2+]C3)C2)c(F)cc1[N+](=O)[O-] ZINC000261804568 140392054 /nfs/dbraw/zinc/39/20/54/140392054.db2.gz ZDOKSTCBCVNEQT-CQSZACIVSA-N 1 0 295.314 1.932 20 5 CDBDRO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000093874124 147070149 /nfs/dbraw/zinc/07/01/49/147070149.db2.gz ZYBNNMRBVVIRBR-UHFFFAOYSA-N 1 0 294.355 1.450 20 5 CDBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCCO1 ZINC000176245538 148031003 /nfs/dbraw/zinc/03/10/03/148031003.db2.gz VYDFPJRTSLXRIN-LLVKDONJSA-N 1 0 268.317 1.292 20 5 CDBDRO Cc1ccc(C(=O)N[C@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000311049071 149207763 /nfs/dbraw/zinc/20/77/63/149207763.db2.gz WUKCEVCUFWZRFT-SECBINFHSA-N 1 0 251.286 1.370 20 5 CDBDRO C[C@@H](O)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000311124764 149209988 /nfs/dbraw/zinc/20/99/88/149209988.db2.gz YNNYOYDVUVYLSJ-SECBINFHSA-N 1 0 256.277 1.985 20 5 CDBDRO [NH3+][C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000346078150 153045394 /nfs/dbraw/zinc/04/53/94/153045394.db2.gz BHDFIPFYEROPDR-SECBINFHSA-N 1 0 253.277 1.657 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCC[NH2+]CC1 ZINC000346682424 153270804 /nfs/dbraw/zinc/27/08/04/153270804.db2.gz DSXKOZLWSZZTMU-UTCJRWHESA-N 1 0 261.325 1.903 20 5 CDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@@H+]1CCCC[C@H]1C ZINC000349873009 154250474 /nfs/dbraw/zinc/25/04/74/154250474.db2.gz JJMVFXDBFGZNAS-NXEZZACHSA-N 1 0 295.343 1.311 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000349988178 154300034 /nfs/dbraw/zinc/30/00/34/154300034.db2.gz MUKJUVVSZRMYRA-JTQLQIEISA-N 1 0 279.340 1.726 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000359025481 158102749 /nfs/dbraw/zinc/10/27/49/158102749.db2.gz DXNQQXMEQRFYBJ-ZJUUUORDSA-N 1 0 293.327 1.016 20 5 CDBDRO CCOC[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000361892630 159010716 /nfs/dbraw/zinc/01/07/16/159010716.db2.gz LTWWMJCCBBOHLL-RYUDHWBXSA-N 1 0 282.340 1.951 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418234298 298527347 /nfs/dbraw/zinc/52/73/47/298527347.db2.gz PWDYTXXCBSFLOZ-ZJUUUORDSA-N 1 0 280.328 1.550 20 5 CDBDRO CCC[NH+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000008337213 170331841 /nfs/dbraw/zinc/33/18/41/170331841.db2.gz KHTFSZZUUDVSDI-UHFFFAOYSA-N 1 0 295.368 1.836 20 5 CDBDRO C[NH+](C)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000019280780 170771332 /nfs/dbraw/zinc/77/13/32/170771332.db2.gz USRDQVGUFIXNTM-UHFFFAOYSA-N 1 0 271.704 1.540 20 5 CDBDRO Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000019477457 170808061 /nfs/dbraw/zinc/80/80/61/170808061.db2.gz BYZBKOJJZIJTFJ-SNVBAGLBSA-N 1 0 263.297 1.841 20 5 CDBDRO C[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284848572 196143948 /nfs/dbraw/zinc/14/39/48/196143948.db2.gz ABBAKSLJPXPPQW-PKFCDNJMSA-N 1 0 295.339 1.368 20 5 CDBDRO C[NH+](C)CCCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000035376469 172161342 /nfs/dbraw/zinc/16/13/42/172161342.db2.gz RGVAUVUTDNAAJN-FPLPWBNLSA-N 1 0 277.324 1.676 20 5 CDBDRO CO[C@@H](C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285353690 196259304 /nfs/dbraw/zinc/25/93/04/196259304.db2.gz VJHNXPJLGYLTJM-IUCAKERBSA-N 1 0 253.302 1.863 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCC2(O)CCOCC2)c1 ZINC000285481486 196298366 /nfs/dbraw/zinc/29/83/66/196298366.db2.gz LJKTZKSHZURYBU-UHFFFAOYSA-N 1 0 280.324 1.616 20 5 CDBDRO CCC[C@]1([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CCOC1 ZINC000285491529 196302921 /nfs/dbraw/zinc/30/29/21/196302921.db2.gz IQPWSMBNUPIDGJ-AWEZNQCLSA-N 1 0 295.339 1.305 20 5 CDBDRO O=C(NCC1CC[NH2+]CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000044503488 175186692 /nfs/dbraw/zinc/18/66/92/175186692.db2.gz NZVIOYKRHUGZFN-UHFFFAOYSA-N 1 0 297.742 1.978 20 5 CDBDRO COc1ccc(CN2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000044531285 175195646 /nfs/dbraw/zinc/19/56/46/175195646.db2.gz PFHXCJPNDVZDMR-LBPRGKRZSA-N 1 0 279.340 1.774 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000071143113 176040842 /nfs/dbraw/zinc/04/08/42/176040842.db2.gz DGMIOCPVXPSYCE-SNVBAGLBSA-N 1 0 263.297 1.276 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000044541533 274951269 /nfs/dbraw/zinc/95/12/69/274951269.db2.gz UPNMJNYLJBSCNK-MRVPVSSYSA-N 1 0 269.326 1.610 20 5 CDBDRO Cc1c(C(=O)N[C@@H](C)C[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000320391330 270329361 /nfs/dbraw/zinc/32/93/61/270329361.db2.gz TYDYCLYERXFUCP-IUCAKERBSA-N 1 0 265.313 1.759 20 5 CDBDRO COc1cc(N2C[C@H]3C[NH+](C)C[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000362666261 274096913 /nfs/dbraw/zinc/09/69/13/274096913.db2.gz PUEWFYZRWWAKTA-NXEZZACHSA-N 1 0 295.314 1.740 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000262270164 274240209 /nfs/dbraw/zinc/24/02/09/274240209.db2.gz VQFKUIUYLOKORV-NOZJJQNGSA-N 1 0 292.339 1.519 20 5 CDBDRO C[C@@H]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000415387065 274288532 /nfs/dbraw/zinc/28/85/32/274288532.db2.gz QHZURADXIANROY-MWLCHTKSSA-N 1 0 293.327 1.003 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000086467680 274378217 /nfs/dbraw/zinc/37/82/17/274378217.db2.gz PUTFTGPIVWFMBE-JGVFFNPUSA-N 1 0 253.258 1.010 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCC[C@@H]1C[NH3+] ZINC000261578353 276709515 /nfs/dbraw/zinc/70/95/15/276709515.db2.gz DEUBAOCOEBTBQX-ZJUUUORDSA-N 1 0 267.333 1.659 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000273705442 277085061 /nfs/dbraw/zinc/08/50/61/277085061.db2.gz DJYNFBGSJYVRLW-JQWIXIFHSA-N 1 0 277.328 1.305 20 5 CDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ncc([N+](=O)[O-])s2)C1 ZINC000190337110 277183405 /nfs/dbraw/zinc/18/34/05/277183405.db2.gz AZHGJHIJSSFLIN-ZJUUUORDSA-N 1 0 282.369 1.972 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000237331092 277269979 /nfs/dbraw/zinc/26/99/79/277269979.db2.gz JVPKZZXVKWWEHZ-UHFFFAOYSA-N 1 0 269.276 1.334 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000070303547 277270212 /nfs/dbraw/zinc/27/02/12/277270212.db2.gz BUHVJXJJFKOLCY-UHFFFAOYSA-N 1 0 251.286 1.195 20 5 CDBDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000449450304 277751168 /nfs/dbraw/zinc/75/11/68/277751168.db2.gz BBNZVOXPVNEOEX-OCCSQVGLSA-N 1 0 280.324 1.736 20 5 CDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000261728124 278609977 /nfs/dbraw/zinc/60/99/77/278609977.db2.gz KWMFEKUGFAQUPH-UWVGGRQHSA-N 1 0 299.352 1.013 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227076018 278747642 /nfs/dbraw/zinc/74/76/42/278747642.db2.gz HJZJXBJYKTXORU-ONGXEEELSA-N 1 0 250.302 1.472 20 5 CDBDRO C[C@@H]1[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343542652 279124702 /nfs/dbraw/zinc/12/47/02/279124702.db2.gz YQTOSXTVPMTYTH-BXKDBHETSA-N 1 0 295.314 1.946 20 5 CDBDRO CC[NH+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000047080881 279151150 /nfs/dbraw/zinc/15/11/50/279151150.db2.gz WKIHYHWXXPXQQA-UHFFFAOYSA-N 1 0 279.340 1.611 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000086468333 279251531 /nfs/dbraw/zinc/25/15/31/279251531.db2.gz QGQQYLBHHRVPPB-BYAJROORSA-N 1 0 289.335 1.817 20 5 CDBDRO C[C@H](CC[NH3+])Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000311474608 279262547 /nfs/dbraw/zinc/26/25/47/279262547.db2.gz PKNOJQRLJRFWBX-MRVPVSSYSA-N 1 0 287.341 1.148 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000217595931 280089318 /nfs/dbraw/zinc/08/93/18/280089318.db2.gz AFTWRAMUNXZGAE-YXVBKTCISA-N 1 0 289.335 1.948 20 5 CDBDRO [NH3+]C[C@H]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000237853793 280190023 /nfs/dbraw/zinc/19/00/23/280190023.db2.gz BGTLRSIEZJZEIJ-CYBMUJFWSA-N 1 0 291.351 1.725 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261604485 280358875 /nfs/dbraw/zinc/35/88/75/280358875.db2.gz RDIIJGBMBLQQPS-DTWKUNHWSA-N 1 0 282.731 1.689 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CC=CC3)C2)n1 ZINC000178239278 281013733 /nfs/dbraw/zinc/01/37/33/281013733.db2.gz YMYCYMVTGDCFJY-LBPRGKRZSA-N 1 0 274.324 1.749 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[NH+](C)C ZINC000177496964 281018234 /nfs/dbraw/zinc/01/82/34/281018234.db2.gz PPTGTJJAHCQPAP-UHFFFAOYSA-N 1 0 280.328 1.929 20 5 CDBDRO Cc1cccc(N2CC[NH+](C[C@@H](C)O)CC2)c1[N+](=O)[O-] ZINC000275391010 281228118 /nfs/dbraw/zinc/22/81/18/281228118.db2.gz CNYHDQZTCCHVQQ-GFCCVEGCSA-N 1 0 279.340 1.406 20 5 CDBDRO COCC[C@H](CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000341572234 292688389 /nfs/dbraw/zinc/68/83/89/292688389.db2.gz XKRNDTCRDJBEAN-RYWCDNDXSA-N 1 0 280.324 1.595 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1C2CCC1CC2 ZINC000556432074 290267684 /nfs/dbraw/zinc/26/76/84/290267684.db2.gz JEWUIVPUCFTQCC-UHFFFAOYSA-N 1 0 263.297 1.383 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCCO1 ZINC000556610844 290275034 /nfs/dbraw/zinc/27/50/34/290275034.db2.gz MNILWOIDJPIUBZ-NWDGAFQWSA-N 1 0 296.323 1.103 20 5 CDBDRO O=[N+]([O-])c1ncccc1OCCC1CC[NH2+]CC1 ZINC000574986560 295084218 /nfs/dbraw/zinc/08/42/18/295084218.db2.gz PXIWCFQASQOTNC-UHFFFAOYSA-N 1 0 251.286 1.758 20 5 CDBDRO CCC[C@@H](O)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000574989258 295084835 /nfs/dbraw/zinc/08/48/35/295084835.db2.gz KRODPEISPYNIAH-LLVKDONJSA-N 1 0 295.339 1.674 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000131859701 301849510 /nfs/dbraw/zinc/84/95/10/301849510.db2.gz KWOWOGOYRWZOFL-WDEREUQCSA-N 1 0 277.324 1.713 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000566251355 316530889 /nfs/dbraw/zinc/53/08/89/316530889.db2.gz OXKXBNDFLPEDTM-MRVPVSSYSA-N 1 0 266.301 1.034 20 5 CDBDRO Cc1cc(=O)n(CC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000569598868 316812156 /nfs/dbraw/zinc/81/21/56/316812156.db2.gz CSGZDIXUJKPNPX-SNVBAGLBSA-N 1 0 251.286 1.065 20 5 CDBDRO CC(C)Oc1nc(NCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000576479700 317147799 /nfs/dbraw/zinc/14/77/99/317147799.db2.gz QOKPGHUOXMMKPA-UHFFFAOYSA-N 1 0 294.355 1.707 20 5 CDBDRO [NH3+][C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000577163559 317276139 /nfs/dbraw/zinc/27/61/39/317276139.db2.gz AZNFDGTUIVBGKB-GFCCVEGCSA-N 1 0 278.312 1.131 20 5 CDBDRO CC[C@H]1C[N@H+](CC)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000577706450 317384706 /nfs/dbraw/zinc/38/47/06/317384706.db2.gz YKLQGKZDAYMYGF-JTQLQIEISA-N 1 0 265.317 1.305 20 5 CDBDRO COc1cc(C(=O)N[C@H](C)[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000381527746 323628619 /nfs/dbraw/zinc/62/86/19/323628619.db2.gz ZMWFHRPHEFOJGL-HTQZYQBOSA-N 1 0 267.285 1.069 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000382435941 323639975 /nfs/dbraw/zinc/63/99/75/323639975.db2.gz VQVVFMLYCCZZOD-MVTQWGDUSA-N 1 0 289.335 1.852 20 5 CDBDRO Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000382458957 323642357 /nfs/dbraw/zinc/64/23/57/323642357.db2.gz SWRRUPHJVZKYNO-ZYHUDNBSSA-N 1 0 277.324 1.760 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000382991973 323657042 /nfs/dbraw/zinc/65/70/42/323657042.db2.gz BOXYMOQLQIEYAN-SSDOTTSWSA-N 1 0 255.249 1.153 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000389751720 323810119 /nfs/dbraw/zinc/81/01/19/323810119.db2.gz LVEKIEGCIDBRBW-WVPKPSDHSA-N 1 0 289.335 1.722 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC12CC2 ZINC000579345013 324160696 /nfs/dbraw/zinc/16/06/96/324160696.db2.gz SPSDUABIVZVHSR-VXGBXAGGSA-N 1 0 292.335 1.724 20 5 CDBDRO CC(C)CC[C@@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000580183083 324390074 /nfs/dbraw/zinc/39/00/74/324390074.db2.gz SCGOJJPKDUIADD-GFCCVEGCSA-N 1 0 270.333 1.178 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000584114617 327041417 /nfs/dbraw/zinc/04/14/17/327041417.db2.gz HWIRSKICFCNUKW-VHSXEESVSA-N 1 0 281.312 1.216 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc([N+](=O)[O-])cc1F ZINC000086471534 1159135859 /nfs/dbraw/zinc/13/58/59/1159135859.db2.gz MRRSQBGOOCTGHL-DTWKUNHWSA-N 1 0 253.277 1.921 20 5 CDBDRO Nc1nc(N2CC[C@@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC000709828766 1159905672 /nfs/dbraw/zinc/90/56/72/1159905672.db2.gz QZQWIHDXMPFXNC-ZDUSSCGKSA-N 1 0 277.328 1.152 20 5 CDBDRO COC(=O)C1(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1 ZINC001168966992 1161996355 /nfs/dbraw/zinc/99/63/55/1161996355.db2.gz MOZWQDCOXCUFAD-MNOVXSKESA-N 1 0 270.329 1.365 20 5 CDBDRO O=C(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)N1CCCCC1 ZINC001168966646 1161996357 /nfs/dbraw/zinc/99/63/57/1161996357.db2.gz KNCPTBOGJPZLEN-RYUDHWBXSA-N 1 0 269.345 1.034 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261562160 536342279 /nfs/dbraw/zinc/34/22/79/536342279.db2.gz GHZKAVJVETXPOK-VIFPVBQESA-N 1 0 251.286 1.241 20 5 CDBDRO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000049202378 521743689 /nfs/dbraw/zinc/74/36/89/521743689.db2.gz AMBHNCXPYKAJKE-SECBINFHSA-N 1 0 281.312 1.218 20 5 CDBDRO C[NH2+]CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000063159240 521978149 /nfs/dbraw/zinc/97/81/49/521978149.db2.gz KSQGIFSGNKUGDK-UHFFFAOYSA-N 1 0 291.351 1.975 20 5 CDBDRO C[NH2+]CCC1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000070189249 521981708 /nfs/dbraw/zinc/98/17/08/521981708.db2.gz UKRKDCOONDCMOB-UHFFFAOYSA-N 1 0 294.355 1.395 20 5 CDBDRO C[C@H]([NH3+])CCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000070317894 524830648 /nfs/dbraw/zinc/83/06/48/524830648.db2.gz OKZIYTRVYCPCRF-VIFPVBQESA-N 1 0 251.286 1.338 20 5 CDBDRO Cc1ccc(NC[C@@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000068806361 525281824 /nfs/dbraw/zinc/28/18/24/525281824.db2.gz PYZFPPYQGSMUQC-GFCCVEGCSA-N 1 0 278.356 1.561 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365367700 525561086 /nfs/dbraw/zinc/56/10/86/525561086.db2.gz DPMKHQBWCMIYCZ-FZMZJTMJSA-N 1 0 289.335 1.727 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H]3CC[C@H]([NH3+])[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000184964514 526262739 /nfs/dbraw/zinc/26/27/39/526262739.db2.gz AGEFUQHPIXTOLX-HONMWMINSA-N 1 0 289.335 1.713 20 5 CDBDRO [NH3+]C1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000051692571 527140131 /nfs/dbraw/zinc/14/01/31/527140131.db2.gz HUJAIUFDXKEZCB-UHFFFAOYSA-N 1 0 253.258 1.188 20 5 CDBDRO [NH3+]C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000236251556 527225864 /nfs/dbraw/zinc/22/58/64/527225864.db2.gz BVWHZEKUCUIBPL-AWEZNQCLSA-N 1 0 291.351 1.771 20 5 CDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000248571112 527370684 /nfs/dbraw/zinc/37/06/84/527370684.db2.gz CQBCNCJSFLCHQA-FPMFFAJLSA-N 1 0 289.335 1.333 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCOCC2)c1 ZINC000366661071 527394049 /nfs/dbraw/zinc/39/40/49/527394049.db2.gz XTZWYYNACUXGER-ZDUSSCGKSA-N 1 0 266.297 1.351 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000045629494 527416239 /nfs/dbraw/zinc/41/62/39/527416239.db2.gz RSZHBQJXOGKSLD-YPMHNXCESA-N 1 0 280.328 1.098 20 5 CDBDRO CCC[NH2+]CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417943220 528493962 /nfs/dbraw/zinc/49/39/62/528493962.db2.gz ORDJQCFKMKVTPB-UHFFFAOYSA-N 1 0 294.355 1.436 20 5 CDBDRO CC(C)c1n[nH]c(C(=O)NCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000269295023 535321890 /nfs/dbraw/zinc/32/18/90/535321890.db2.gz ADNIUWFXLBMYSW-UHFFFAOYSA-N 1 0 283.332 1.123 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH3+])c1 ZINC000422718083 535427170 /nfs/dbraw/zinc/42/71/70/535427170.db2.gz WLYXETQJOAJRAJ-UHFFFAOYSA-N 1 0 267.285 1.072 20 5 CDBDRO CC[NH2+]CCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000418331268 535466666 /nfs/dbraw/zinc/46/66/66/535466666.db2.gz XMDVNXYNTWMOGY-UHFFFAOYSA-N 1 0 294.355 1.388 20 5 CDBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc(C)cc([N+](=O)[O-])c2N)n1 ZINC000261737025 536345794 /nfs/dbraw/zinc/34/57/94/536345794.db2.gz KRRKHQOSGBBGAX-QMMMGPOBSA-N 1 0 291.311 1.686 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000269143722 536374095 /nfs/dbraw/zinc/37/40/95/536374095.db2.gz XMUCJVDAKQGNCZ-SNVBAGLBSA-N 1 0 289.291 1.775 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[NH2+]C(C)(C)C ZINC000107800214 1174777909 /nfs/dbraw/zinc/77/79/09/1174777909.db2.gz JILLEMPBRIDGFH-UHFFFAOYSA-N 1 0 279.340 1.941 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)OCC[C@@H]1CCCC[N@@H+]1C ZINC000766969993 576151208 /nfs/dbraw/zinc/15/12/08/576151208.db2.gz YMGSDBMNPZGEKM-JTQLQIEISA-N 1 0 296.327 1.360 20 5 CDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)[C@@H](C)C[N@@H+]1C ZINC000768526610 576292857 /nfs/dbraw/zinc/29/28/57/576292857.db2.gz OFIDXKVALVSSFK-BDAKNGLRSA-N 1 0 291.311 1.660 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])c2nonc21 ZINC000768526618 576293024 /nfs/dbraw/zinc/29/30/24/576293024.db2.gz OFIDXKVALVSSFK-RKDXNWHRSA-N 1 0 291.311 1.660 20 5 CDBDRO C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000761084208 576545200 /nfs/dbraw/zinc/54/52/00/576545200.db2.gz YRCSPEFLHXRHJB-GFCCVEGCSA-N 1 0 279.340 1.610 20 5 CDBDRO CC(C)(C)[N@@H+]1CCCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000748081852 576895042 /nfs/dbraw/zinc/89/50/42/576895042.db2.gz FKZIXNVZMGJYBS-UHFFFAOYSA-N 1 0 281.360 1.555 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](CCO)CC2CC2)c1 ZINC000750035928 576972895 /nfs/dbraw/zinc/97/28/95/576972895.db2.gz MJVXJDHTINPSDR-AWEZNQCLSA-N 1 0 280.324 1.333 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933408702 617423161 /nfs/dbraw/zinc/42/31/61/617423161.db2.gz WXAAFJRZHSODQZ-UHFFFAOYSA-N 1 0 291.311 1.332 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@H]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000893221894 617473119 /nfs/dbraw/zinc/47/31/19/617473119.db2.gz SFEAGIRKISOZMQ-KOLCDFICSA-N 1 0 296.323 1.966 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000893221893 617473224 /nfs/dbraw/zinc/47/32/24/617473224.db2.gz SFEAGIRKISOZMQ-GXSJLCMTSA-N 1 0 296.323 1.966 20 5 CDBDRO Cc1ccc(CNC(=O)N2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000892536659 617484515 /nfs/dbraw/zinc/48/45/15/617484515.db2.gz HVQVHDWGAMTZEU-LLVKDONJSA-N 1 0 292.339 1.407 20 5 CDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000931044390 617588889 /nfs/dbraw/zinc/58/88/89/617588889.db2.gz AQMWDDWTLJHTBH-STQMWFEESA-N 1 0 293.367 1.998 20 5 CDBDRO CC[NH+](CC)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2OC)C1 ZINC000892728367 617670222 /nfs/dbraw/zinc/67/02/22/617670222.db2.gz BAHGHARZJXCISB-LLVKDONJSA-N 1 0 294.355 1.919 20 5 CDBDRO COc1c(O)ccc(CNCC[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000892786208 617747461 /nfs/dbraw/zinc/74/74/61/617747461.db2.gz OMXOBTSHJADORC-UHFFFAOYSA-N 1 0 297.355 1.739 20 5 CDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1c([N+](=O)[O-])cnn1C ZINC000893828441 618080722 /nfs/dbraw/zinc/08/07/22/618080722.db2.gz LKWIBUAICCQWBS-QWRGUYRKSA-N 1 0 279.344 1.391 20 5 CDBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@]2(C)CO)c1[N+](=O)[O-] ZINC000893884917 618139180 /nfs/dbraw/zinc/13/91/80/618139180.db2.gz VMBWMDVVSXTFLQ-CQSZACIVSA-N 1 0 296.323 1.656 20 5 CDBDRO C[N@@H+]1C[C@H]2CCN(c3nc4ccccn4c3[N+](=O)[O-])[C@@H]2C1 ZINC000893939182 618200818 /nfs/dbraw/zinc/20/08/18/618200818.db2.gz IHHGWIVJCFCMSI-GHMZBOCLSA-N 1 0 287.323 1.383 20 5 CDBDRO Cc1c(C(=O)N(C)CC[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818010529 618493572 /nfs/dbraw/zinc/49/35/72/618493572.db2.gz PMWDDUBZIQAFFD-UHFFFAOYSA-N 1 0 296.283 1.151 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000843322178 618706255 /nfs/dbraw/zinc/70/62/55/618706255.db2.gz TVENXOKKHCSDIY-VIFPVBQESA-N 1 0 278.312 1.049 20 5 CDBDRO COc1c(O)ccc(C[NH2+]C[C@H](OC)C2CC2)c1[N+](=O)[O-] ZINC000894631598 618998323 /nfs/dbraw/zinc/99/83/23/618998323.db2.gz IGVHQIMBVKGHJP-LBPRGKRZSA-N 1 0 296.323 1.824 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@H]2CO[C@H](C)C2)c1[N+](=O)[O-] ZINC000895125253 619320453 /nfs/dbraw/zinc/32/04/53/619320453.db2.gz SOSWGHGPVWYXNP-PSASIEDQSA-N 1 0 282.296 1.576 20 5 CDBDRO C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000928555428 619364174 /nfs/dbraw/zinc/36/41/74/619364174.db2.gz JQGMKWNNGHNLNJ-ZWNOBZJWSA-N 1 0 277.324 1.519 20 5 CDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000928557105 619367870 /nfs/dbraw/zinc/36/78/70/619367870.db2.gz ZWNFLRLBHDHHFX-SNVBAGLBSA-N 1 0 281.287 1.097 20 5 CDBDRO CN1CC[C@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000896595842 620161328 /nfs/dbraw/zinc/16/13/28/620161328.db2.gz PTZIUKQRWXAAIP-JTQLQIEISA-N 1 0 276.296 1.530 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2C[C@H](CO)C2)n1 ZINC000927148638 621877585 /nfs/dbraw/zinc/87/75/85/621877585.db2.gz TUBZERHQBNUBFG-ZDEQEGDKSA-N 1 0 294.355 1.636 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](F)C1 ZINC000902994499 625742431 /nfs/dbraw/zinc/74/24/31/625742431.db2.gz CZRBZBSLGMYVDF-JTQLQIEISA-N 1 0 269.276 1.190 20 5 CDBDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]CC[N+](=O)[O-])c1 ZINC000905290713 626742743 /nfs/dbraw/zinc/74/27/43/626742743.db2.gz LXZQMCMYOXSHOI-AAEUAGOBSA-N 1 0 250.298 1.665 20 5 CDBDRO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+]CC[N+](=O)[O-] ZINC000905385210 626780579 /nfs/dbraw/zinc/78/05/79/626780579.db2.gz ZOAKXHVEPKHSBW-SECBINFHSA-N 1 0 261.322 1.108 20 5 CDBDRO Cn1cnc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000905682530 626927738 /nfs/dbraw/zinc/92/77/38/626927738.db2.gz LQPKNPZJPOXMPS-ZDUSSCGKSA-N 1 0 276.296 1.152 20 5 CDBDRO C[C@H]([NH2+][C@@H]1COC[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000905864793 627008195 /nfs/dbraw/zinc/00/81/95/627008195.db2.gz GGSIDADHJIZQTG-GBIKHYSHSA-N 1 0 293.323 1.546 20 5 CDBDRO C[C@H]([NH2+][C@H]1COC[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000905867811 627010216 /nfs/dbraw/zinc/01/02/16/627010216.db2.gz OPRKNLYNJCKGNI-NRUUGDAUSA-N 1 0 293.323 1.546 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC(C[NH+](C)C)C2)c1C ZINC000908530658 628268192 /nfs/dbraw/zinc/26/81/92/628268192.db2.gz MGFNWYHNCNSMKY-UHFFFAOYSA-N 1 0 291.351 1.845 20 5 CDBDRO O=C(NCC[NH2+]C1CC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911752976 629471841 /nfs/dbraw/zinc/47/18/41/629471841.db2.gz VNCPFOFCSQCUBQ-ZIAGYGMSSA-N 1 0 289.335 1.567 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911813476 629507142 /nfs/dbraw/zinc/50/71/42/629507142.db2.gz MYTDOJOIOOKPCZ-WQAKAFBOSA-N 1 0 277.324 1.504 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@@H+]1C ZINC000157694624 630609581 /nfs/dbraw/zinc/60/95/81/630609581.db2.gz HOOXQJYSIYLOFH-VHSXEESVSA-N 1 0 295.314 1.946 20 5 CDBDRO Cc1cc(F)cc(C(=O)NCC[NH2+]C2CC2)c1[N+](=O)[O-] ZINC000151577782 630713109 /nfs/dbraw/zinc/71/31/09/630713109.db2.gz LLHGWAKZFBAFAR-UHFFFAOYSA-N 1 0 281.287 1.524 20 5 CDBDRO Cc1nn(CN2CC[N@@H+](C)C[C@@H]2C(C)C)c(C)c1[N+](=O)[O-] ZINC000153677206 631785313 /nfs/dbraw/zinc/78/53/13/631785313.db2.gz GHNIUBYKEIVACZ-CYBMUJFWSA-N 1 0 295.387 1.638 20 5 CDBDRO CC(=O)Nc1ccc(NCC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC001170256087 1162318634 /nfs/dbraw/zinc/31/86/34/1162318634.db2.gz COKKTRFMFCOBJT-UHFFFAOYSA-N 1 0 278.312 1.527 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170307819 1162339833 /nfs/dbraw/zinc/33/98/33/1162339833.db2.gz IHYQLHDAJWWCMQ-NQBHXWOUSA-N 1 0 294.351 1.895 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(NCCN(C)CC[NH3+])c1F ZINC001170504144 1162668250 /nfs/dbraw/zinc/66/82/50/1162668250.db2.gz AOVCFOXBXPAZQH-UHFFFAOYSA-N 1 0 270.308 1.345 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N(C(C)C)[C@@H]2CC[NH2+]C2)n1 ZINC001158023471 1162684418 /nfs/dbraw/zinc/68/44/18/1162684418.db2.gz WBDRXRXAKOKIBH-SECBINFHSA-N 1 0 299.762 1.923 20 5 CDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cn1nccc1[N+](=O)[O-] ZINC000808191078 1162818486 /nfs/dbraw/zinc/81/84/86/1162818486.db2.gz KDUQQSSFFRSLQU-NWDGAFQWSA-N 1 0 279.344 1.307 20 5 CDBDRO C[C@H](Nc1ccc(N(C)C)cc1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001170576253 1162992630 /nfs/dbraw/zinc/99/26/30/1162992630.db2.gz ZOHGRWGAGQLIRD-IINYFYTJSA-N 1 0 294.355 1.450 20 5 CDBDRO O=C1Nc2ccccc2C[C@@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967074 1161996069 /nfs/dbraw/zinc/99/60/69/1161996069.db2.gz NAAPHPUNNLIXHM-SUHUHFCYSA-N 1 0 289.335 1.585 20 5 CDBDRO CCCCOC1C[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169030407 1161998160 /nfs/dbraw/zinc/99/81/60/1161998160.db2.gz ZQSKLFICBWGTIV-NEPJUHHUSA-N 1 0 256.346 1.933 20 5 CDBDRO COc1cc(C)c(CN(C)CC[N+](=O)[O-])cc1OC ZINC000791053229 1162187205 /nfs/dbraw/zinc/18/72/05/1162187205.db2.gz JVSUJOBOMVNXBU-UHFFFAOYSA-N 1 0 268.313 1.721 20 5 CDBDRO Cn1c(C(=O)O[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000810843900 1163324454 /nfs/dbraw/zinc/32/44/54/1163324454.db2.gz YNTKKOOZXJONBN-MNOVXSKESA-N 1 0 293.323 1.717 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2CCC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000122313884 1164996358 /nfs/dbraw/zinc/99/63/58/1164996358.db2.gz HOJPLRIRRCKONS-UHFFFAOYSA-N 1 0 295.314 1.820 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122456624 1165032029 /nfs/dbraw/zinc/03/20/29/1165032029.db2.gz PGYKPQCVJLAGSO-SKDRFNHKSA-N 1 0 295.314 1.933 20 5 CDBDRO Cc1c(C[NH2+][C@H]2CC(=O)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000873068883 1165509033 /nfs/dbraw/zinc/50/90/33/1165509033.db2.gz CFNUORXCKBVMKW-LBPRGKRZSA-N 1 0 289.335 1.756 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](CO)[C@@H](C)O ZINC000873130254 1165513673 /nfs/dbraw/zinc/51/36/73/1165513673.db2.gz CHKJBVKEAFSRLT-ZYHUDNBSSA-N 1 0 268.313 1.043 20 5 CDBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000876925001 1165941478 /nfs/dbraw/zinc/94/14/78/1165941478.db2.gz ZCVTXYXBTGLSKH-AWEZNQCLSA-N 1 0 293.298 1.702 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+]CC2(C3(O)CCC3)CCC2)n1 ZINC000886976462 1166543345 /nfs/dbraw/zinc/54/33/45/1166543345.db2.gz BKOODSZRTUBVMQ-UHFFFAOYSA-N 1 0 294.355 1.466 20 5 CDBDRO [NH3+]CCCCCCCn1cc([N+](=O)[O-])cc(F)c1=O ZINC000830419764 1167033462 /nfs/dbraw/zinc/03/34/62/1167033462.db2.gz XEMJDYUADGNGQW-UHFFFAOYSA-N 1 0 271.292 1.805 20 5 CDBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001155248398 1167108018 /nfs/dbraw/zinc/10/80/18/1167108018.db2.gz UBNLESNEDXCWIW-SECBINFHSA-N 1 0 299.290 1.587 20 5 CDBDRO Cc1nc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC001155634179 1167270976 /nfs/dbraw/zinc/27/09/76/1167270976.db2.gz ADANQKTZJQYMPZ-ZWNOBZJWSA-N 1 0 293.327 1.016 20 5 CDBDRO O=C([C@@H]1CC[NH2+]C1)N1CCCCc2cc([N+](=O)[O-])ccc21 ZINC001574292748 1170941409 /nfs/dbraw/zinc/94/14/09/1170941409.db2.gz GWZHOWVGTCWIBV-GFCCVEGCSA-N 1 0 289.335 1.874 20 5 CDBDRO C[C@H](C(=O)N[C@@H]1C[NH2+]CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC001575071406 1171101579 /nfs/dbraw/zinc/10/15/79/1171101579.db2.gz XXXAJUNFLFQYFN-GXFFZTMASA-N 1 0 289.335 1.567 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001575985444 1171310213 /nfs/dbraw/zinc/31/02/13/1171310213.db2.gz PWDYTXXCBSFLOZ-NXEZZACHSA-N 1 0 280.328 1.550 20 5 CDBDRO C[C@H](SCC[NH3+])C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001576300591 1171384395 /nfs/dbraw/zinc/38/43/95/1171384395.db2.gz KHBMUEHSZKORCY-QMMMGPOBSA-N 1 0 269.326 1.614 20 5 CDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]C1 ZINC001577645898 1171711312 /nfs/dbraw/zinc/71/13/12/1171711312.db2.gz DLVKGBQDUPCSFF-SNVBAGLBSA-N 1 0 278.312 1.204 20 5 CDBDRO COc1cc(CN[C@H]2C[NH2+]CC2(C)C)c([N+](=O)[O-])cc1O ZINC001579152854 1172108262 /nfs/dbraw/zinc/10/82/62/1172108262.db2.gz KZBXTDDFVLEZKT-ZDUSSCGKSA-N 1 0 295.339 1.397 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)C2CC[NH2+]CC2)n1 ZINC001579642528 1172233243 /nfs/dbraw/zinc/23/32/43/1172233243.db2.gz JPXQBDQESRITEK-JTQLQIEISA-N 1 0 292.339 1.416 20 5 CDBDRO [NH3+][C@]12CCC[C@@H]1CN(c1ncc([N+](=O)[O-])cc1Cl)C2 ZINC001580158619 1172365542 /nfs/dbraw/zinc/36/55/42/1172365542.db2.gz URJIIVZQEWMQRB-PELKAZGASA-N 1 0 282.731 1.961 20 5 CDBDRO [NH3+][C@@H]1C[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001580398611 1172423491 /nfs/dbraw/zinc/42/34/91/1172423491.db2.gz JWVQZLABPOMLRM-NKWVEPMBSA-N 1 0 287.222 1.482 20 5 CDBDRO C[C@H]([NH3+])CC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000211516846 1175785129 /nfs/dbraw/zinc/78/51/29/1175785129.db2.gz ZQEVAIKKRMSSGL-LURJTMIESA-N 1 0 257.677 1.924 20 5 CDBDRO COc1cccc(NC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000135051067 1175822981 /nfs/dbraw/zinc/82/29/81/1175822981.db2.gz YCKXWZYWPQPSSM-SECBINFHSA-N 1 0 251.286 1.767 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000237329462 1178650228 /nfs/dbraw/zinc/65/02/28/1178650228.db2.gz PPEFVQQTMQPMRM-MRVPVSSYSA-N 1 0 285.731 1.834 20 5 CDBDRO CC(C)=CC[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001753852829 1185360779 /nfs/dbraw/zinc/36/07/79/1185360779.db2.gz BYSAGSFRVGTORW-VXGBXAGGSA-N 1 0 269.345 1.008 20 5 CDBDRO CN(CC1CC[NH+](C)CC1)c1cc([N+](=O)[O-])ccn1 ZINC001165041105 721930705 /nfs/dbraw/zinc/93/07/05/721930705.db2.gz YFLOLMXHEIVZHB-UHFFFAOYSA-N 1 0 264.329 1.768 20 5 CDBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC001339468442 1167484435 /nfs/dbraw/zinc/48/44/35/1167484435.db2.gz VHUQVFMXJSOHIW-SNVBAGLBSA-N 1 0 296.375 1.166 20 5 CDBDRO CC(=O)N1CC([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173219305 912300347 /nfs/dbraw/zinc/30/03/47/912300347.db2.gz MYYLENJFPQZEKJ-JTQLQIEISA-N 1 0 277.324 1.346 20 5 CDBDRO CNC(=O)C[N@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173229414 912323258 /nfs/dbraw/zinc/32/32/58/912323258.db2.gz UQHOFXVHUUCLQI-SNVBAGLBSA-N 1 0 265.313 1.204 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1nncc1C[NH3+] ZINC001173234976 912332904 /nfs/dbraw/zinc/33/29/04/912332904.db2.gz RLAXJBGADAWQSG-VIFPVBQESA-N 1 0 261.285 1.449 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(C)COC1 ZINC001173214130 912336838 /nfs/dbraw/zinc/33/68/38/912336838.db2.gz MGDYFBBQZVEXHG-JTQLQIEISA-N 1 0 250.298 1.904 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(C)COC1 ZINC001173214132 912336896 /nfs/dbraw/zinc/33/68/96/912336896.db2.gz MGDYFBBQZVEXHG-SNVBAGLBSA-N 1 0 250.298 1.904 20 5 CDBDRO Nc1ccnc(-n2ccc3cc(C[NH3+])cnc32)c1[N+](=O)[O-] ZINC001167311594 895217803 /nfs/dbraw/zinc/21/78/03/895217803.db2.gz SHOJWUKDNQAPKW-UHFFFAOYSA-N 1 0 284.279 1.370 20 5 CDBDRO CCOc1cnc(-n2cccc2C[NH3+])c([N+](=O)[O-])c1 ZINC001167581855 896898159 /nfs/dbraw/zinc/89/81/59/896898159.db2.gz LRZUZSDACSMCCO-UHFFFAOYSA-N 1 0 262.269 1.638 20 5 CDBDRO CCOc1cc([N+](=O)[O-])ccc1-n1ccc(C[NH3+])cc1=N ZINC001167689710 898190170 /nfs/dbraw/zinc/19/01/70/898190170.db2.gz KFMGSECTKCFNOM-UHFFFAOYSA-N 1 0 288.307 1.722 20 5 CDBDRO CC(=O)c1cc(O[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001218285095 898609201 /nfs/dbraw/zinc/60/92/01/898609201.db2.gz CTOBEBMKMMTNBJ-LLVKDONJSA-N 1 0 264.281 1.928 20 5 CDBDRO [NH3+]CCc1ccn(-c2ccc3nsnc3c2[N+](=O)[O-])n1 ZINC001167730673 899488119 /nfs/dbraw/zinc/48/81/19/899488119.db2.gz OMVWIIPEGWDBMW-UHFFFAOYSA-N 1 0 290.308 1.286 20 5 CDBDRO CC(=O)Nc1ccc(-n2ccc(CC[NH3+])n2)cc1[N+](=O)[O-] ZINC001167731246 899499140 /nfs/dbraw/zinc/49/91/40/899499140.db2.gz CFSKAUMWXQZWFR-UHFFFAOYSA-N 1 0 289.295 1.240 20 5 CDBDRO O=C1SCC[C@@H]1Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001167956055 904141064 /nfs/dbraw/zinc/14/10/64/904141064.db2.gz WYUVYVDNEUUTQW-VIFPVBQESA-N 1 0 279.321 1.642 20 5 CDBDRO COC(=O)c1ccnc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001226755004 905575583 /nfs/dbraw/zinc/57/55/83/905575583.db2.gz WGLRFGMPNNDAQT-JTQLQIEISA-N 1 0 253.322 1.342 20 5 CDBDRO O=C(NCCCCCC[NH2+]CCC1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178463720 915450648 /nfs/dbraw/zinc/45/06/48/915450648.db2.gz JJLZKQBUMQLMKS-ZIAGYGMSSA-N 1 0 297.399 1.718 20 5 CDBDRO CC(C)(O)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254567366 936407791 /nfs/dbraw/zinc/40/77/91/936407791.db2.gz NAJIJXKPMLNQNB-LLVKDONJSA-N 1 0 250.298 1.423 20 5 CDBDRO CCC1(Nc2ccc(OC)c([N+](=O)[O-])n2)C[NH2+]C1 ZINC001168579841 919266505 /nfs/dbraw/zinc/26/65/05/919266505.db2.gz AFSYGNSTHIPSEB-UHFFFAOYSA-N 1 0 252.274 1.162 20 5 CDBDRO Cc1c(C)c(N[C@H]2C[C@@](C)([NH3+])C2)ncc1[N+](=O)[O-] ZINC001162328721 922307586 /nfs/dbraw/zinc/30/75/86/922307586.db2.gz XYPFQCMXZRDLMZ-WVSHTKLVSA-N 1 0 250.302 1.898 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N(C)CCC[NH+](C)C)n1 ZINC001163596110 924020983 /nfs/dbraw/zinc/02/09/83/924020983.db2.gz VGDGOIXQHNHKDR-UHFFFAOYSA-N 1 0 253.306 1.081 20 5 CDBDRO CC(C)[N@@H+]1CCN(c2cccc([N+](=O)[O-])n2)C[C@H]1C ZINC001165198856 924999353 /nfs/dbraw/zinc/99/93/53/924999353.db2.gz CUUREQKTQUXVPG-LLVKDONJSA-N 1 0 264.329 1.909 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001165388744 925023039 /nfs/dbraw/zinc/02/30/39/925023039.db2.gz ZTMIXRXCNUYGGT-DTWKUNHWSA-N 1 0 268.704 1.584 20 5 CDBDRO COc1cncc(CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168978857 927565288 /nfs/dbraw/zinc/56/52/88/927565288.db2.gz UYVQFIYRXQWVGL-QWHCGFSZSA-N 1 0 279.340 1.668 20 5 CDBDRO Cc1cnc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)nc1 ZINC001168963956 927586313 /nfs/dbraw/zinc/58/63/13/927586313.db2.gz QVTNTPJXQHCFFD-QWRGUYRKSA-N 1 0 250.302 1.320 20 5 CDBDRO O=C(CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)NC1CCCC1 ZINC001168965624 927588877 /nfs/dbraw/zinc/58/88/77/927588877.db2.gz BDVZWVRBLIKIMS-YPMHNXCESA-N 1 0 283.372 1.470 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC001168965986 927589186 /nfs/dbraw/zinc/58/91/86/927589186.db2.gz FJSTYOMYUMNCTP-KGLIPLIRSA-N 1 0 264.325 1.714 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccncc2F)C1 ZINC001168970201 927593818 /nfs/dbraw/zinc/59/38/18/927593818.db2.gz GUZBVKRFJXVWPS-MWLCHTKSSA-N 1 0 253.277 1.756 20 5 CDBDRO CC(C)N1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168972372 927595799 /nfs/dbraw/zinc/59/57/99/927595799.db2.gz MTSHDGDKUCKOEN-AGIUHOORSA-N 1 0 255.362 1.504 20 5 CDBDRO O=C(C1CCC1)N1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168992805 927601065 /nfs/dbraw/zinc/60/10/65/927601065.db2.gz KTHUTJGYOVVDHT-BNOWGMLFSA-N 1 0 295.383 1.422 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccnn2CCF)C1 ZINC001168997795 927603069 /nfs/dbraw/zinc/60/30/69/927603069.db2.gz FZYNPBWTBANJTK-GHMZBOCLSA-N 1 0 270.308 1.388 20 5 CDBDRO Cc1nnc2ccc(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)cn12 ZINC001168997939 927603571 /nfs/dbraw/zinc/60/35/71/927603571.db2.gz GRQWAOSWESLPBW-AAEUAGOBSA-N 1 0 289.339 1.573 20 5 CDBDRO CCOC(=O)CC1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169004416 927608055 /nfs/dbraw/zinc/60/80/55/927608055.db2.gz QXAOMARUNSHTKQ-WDEREUQCSA-N 1 0 270.329 1.507 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cncn2CCF)C1 ZINC001169004565 927608840 /nfs/dbraw/zinc/60/88/40/927608840.db2.gz REWGAEUBAFIZJB-MNOVXSKESA-N 1 0 270.308 1.388 20 5 CDBDRO Cc1nc(CC[N@@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)no1 ZINC001169011259 927616141 /nfs/dbraw/zinc/61/61/41/927616141.db2.gz IZNGPZCDIKYGJJ-GHMZBOCLSA-N 1 0 268.317 1.298 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCCC3(COC3)C2)C1 ZINC001169012550 927619026 /nfs/dbraw/zinc/61/90/26/927619026.db2.gz RAQPCCLJYVVTMD-NWDGAFQWSA-N 1 0 254.330 1.544 20 5 CDBDRO COc1cccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168990241 927628711 /nfs/dbraw/zinc/62/87/11/927628711.db2.gz YYHRBXCDJPDRGR-QWRGUYRKSA-N 1 0 265.313 1.625 20 5 CDBDRO CCC(=O)N1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168990629 927629503 /nfs/dbraw/zinc/62/95/03/927629503.db2.gz CVILAZBFSJPJJE-SRVKXCTJSA-N 1 0 269.345 1.032 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](N3CCCCC3)C2)C1 ZINC001169027876 927633053 /nfs/dbraw/zinc/63/30/53/927633053.db2.gz RKBMBKTZWCEEKM-KFWWJZLASA-N 1 0 281.400 1.992 20 5 CDBDRO C[NH2+]Cc1c(C)nn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1C ZINC001169035061 927641522 /nfs/dbraw/zinc/64/15/22/927641522.db2.gz ACIITLMRAZYYBC-NWDGAFQWSA-N 1 0 266.345 1.837 20 5 CDBDRO CN1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169034909 927642481 /nfs/dbraw/zinc/64/24/81/927642481.db2.gz IMWALRUNSNFAET-LPWJVIDDSA-N 1 0 253.346 1.210 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(CC(F)F)CC2)C1 ZINC001169035516 927644965 /nfs/dbraw/zinc/64/49/65/927644965.db2.gz BRKYVBIUCIUZRB-MNOVXSKESA-N 1 0 277.315 1.315 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](n2cncc2C2CC[NH2+]CC2)C1 ZINC001169036394 927645316 /nfs/dbraw/zinc/64/53/16/927645316.db2.gz FTJXFVDXQVMEBI-DGCLKSJQSA-N 1 0 278.356 1.968 20 5 CDBDRO C[N@H+](Cc1cnccn1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037447 927646441 /nfs/dbraw/zinc/64/64/41/927646441.db2.gz RXABYTJUFFMNAO-CMPLNLGQSA-N 1 0 250.302 1.354 20 5 CDBDRO CCC1(O)CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169038178 927646647 /nfs/dbraw/zinc/64/66/47/927646647.db2.gz WLHWVCLGDWELQS-RYUDHWBXSA-N 1 0 256.346 1.669 20 5 CDBDRO CCCN1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169036676 927647416 /nfs/dbraw/zinc/64/74/16/927647416.db2.gz PODAJCIGOSNQHQ-QWHCGFSZSA-N 1 0 255.362 1.459 20 5 CDBDRO CCC[N@H+](CC(=O)OCC)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039708 927651520 /nfs/dbraw/zinc/65/15/20/927651520.db2.gz SNHFKXJKIKBRCU-VXGBXAGGSA-N 1 0 272.345 1.707 20 5 CDBDRO CCO[C@@H]1C[C@H]2CN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC[N@@H+]2C1 ZINC001169019206 927660195 /nfs/dbraw/zinc/66/01/95/927660195.db2.gz FPJFCUCAXAJRBY-LJISPDSOSA-N 1 0 297.399 1.227 20 5 CDBDRO O=C(N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1)C1CC1 ZINC001169055388 927672665 /nfs/dbraw/zinc/67/26/65/927672665.db2.gz PWOOVRCVUXPBDB-IACUBPJLSA-N 1 0 295.383 1.422 20 5 CDBDRO C[C@@H]([NH3+])c1ccn(-c2nc(Cl)ccc2[N+](=O)[O-])n1 ZINC001169232223 927840184 /nfs/dbraw/zinc/84/01/84/927840184.db2.gz BADGIVVEJDJBIJ-ZCFIWIBFSA-N 1 0 267.676 1.849 20 5 CDBDRO [NH3+]Cc1cccn1-c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001156723822 928945545 /nfs/dbraw/zinc/94/55/45/928945545.db2.gz INDCUQMVSSAPJJ-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(N[C@H]3C[NH2+]C[C@@H]3CO)ccc2c1 ZINC001170772977 929913435 /nfs/dbraw/zinc/91/34/35/929913435.db2.gz KJXKMKKLCDKZPD-MFKMUULPSA-N 1 0 288.307 1.135 20 5 CDBDRO CC(C)(C)c1cnc(N[C@@H]2C[NH2+]C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001170773920 929920422 /nfs/dbraw/zinc/92/04/22/929920422.db2.gz KJCJBRJOGNGLJO-MWLCHTKSSA-N 1 0 294.355 1.280 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001170857626 930456986 /nfs/dbraw/zinc/45/69/86/930456986.db2.gz GPXXDLCERZDGGD-CYBMUJFWSA-N 1 0 276.296 1.612 20 5 CDBDRO CCOc1cnc(NCC[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC001170889068 930683751 /nfs/dbraw/zinc/68/37/51/930683751.db2.gz IVJJHDSYAAFVAN-MRVPVSSYSA-N 1 0 254.290 1.538 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCC[NH2+]1 ZINC001160145586 931213032 /nfs/dbraw/zinc/21/30/32/931213032.db2.gz TWTVUYBWYDVBLY-VIFPVBQESA-N 1 0 294.311 1.330 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC(C)(C[NH3+])C1 ZINC001246596942 932048482 /nfs/dbraw/zinc/04/84/82/932048482.db2.gz KVQLQLSHJVVMRA-LLVKDONJSA-N 1 0 263.341 1.806 20 5 CDBDRO COc1ccnc(NC[C@@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC001171328702 932690107 /nfs/dbraw/zinc/69/01/07/932690107.db2.gz QZDVMZZPKSXXGY-VIFPVBQESA-N 1 0 266.301 1.552 20 5 CDBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1cc(N)c([N+](=O)[O-])cn1 ZINC001155022870 937622236 /nfs/dbraw/zinc/62/22/36/937622236.db2.gz BPJHDBDXKFSEGY-ZJUUUORDSA-N 1 0 279.344 1.620 20 5 CDBDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1ccc(N)c([N+](=O)[O-])n1 ZINC001118524145 937636436 /nfs/dbraw/zinc/63/64/36/937636436.db2.gz CGMHWEAPYDERAF-GHMZBOCLSA-N 1 0 279.344 1.857 20 5 CDBDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC[N+](=O)[O-])C1 ZINC001119744218 937752835 /nfs/dbraw/zinc/75/28/35/937752835.db2.gz VNWVIMKEYHPECQ-QWRGUYRKSA-N 1 0 273.333 1.110 20 5 CDBDRO [NH3+]CCc1nccn1-c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001156477876 938372903 /nfs/dbraw/zinc/37/29/03/938372903.db2.gz QLPGEJFILGUQQP-UHFFFAOYSA-N 1 0 284.279 1.225 20 5 CDBDRO C[NH2+]CCNc1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001156892311 938430057 /nfs/dbraw/zinc/43/00/57/938430057.db2.gz WYELYWVYHKBZLT-UHFFFAOYSA-N 1 0 266.088 1.323 20 5 CDBDRO CC(C)Oc1nc(-n2ccc(CC[NH3+])n2)ccc1[N+](=O)[O-] ZINC001156904782 938432244 /nfs/dbraw/zinc/43/22/44/938432244.db2.gz CYNRKTZRQVPXKS-UHFFFAOYSA-N 1 0 291.311 1.464 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2CCCC[C@@]23CCC[NH2+]C3)n1 ZINC001157472129 938498360 /nfs/dbraw/zinc/49/83/60/938498360.db2.gz SLTALCOHRFDKMF-AWEZNQCLSA-N 1 0 291.355 1.806 20 5 CDBDRO CCC[NH+]1C[C@H]2CN(c3ncc([N+](=O)[O-])c(C)n3)C[C@@H]2C1 ZINC001157700139 938534229 /nfs/dbraw/zinc/53/42/29/938534229.db2.gz OEIYKQPAUFRAJN-RYUDHWBXSA-N 1 0 291.355 1.471 20 5 CDBDRO O=C(NCCC[NH2+]C/C(Cl)=C\Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767300 938542733 /nfs/dbraw/zinc/54/27/33/938542733.db2.gz KYZVQEPOUZECSR-LKJMDQPVSA-N 1 0 296.154 1.067 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CCNc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001160963843 938851229 /nfs/dbraw/zinc/85/12/29/938851229.db2.gz IYJZKBIABIGDBA-SECBINFHSA-N 1 0 295.299 1.794 20 5 CDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1NCC[NH+](C)C ZINC001161669006 938918841 /nfs/dbraw/zinc/91/88/41/938918841.db2.gz VGVRSIMZVJBNDK-UHFFFAOYSA-N 1 0 282.300 1.058 20 5 CDBDRO C[C@@]1([NH3+])C[C@H](Nc2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001162325220 939024230 /nfs/dbraw/zinc/02/42/30/939024230.db2.gz SNIUMCVMMCDKRM-XGAOUMNUSA-N 1 0 256.693 1.935 20 5 CDBDRO Cc1c[n+]([O-])c(N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001162391789 939042328 /nfs/dbraw/zinc/04/23/28/939042328.db2.gz ODBRJTDXNHXIGZ-UWVGGRQHSA-N 1 0 266.301 1.218 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cc(N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC001162390867 939042363 /nfs/dbraw/zinc/04/23/63/939042363.db2.gz JEXMSTJQDONJLL-RKDXNWHRSA-N 1 0 294.311 1.458 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cc(N[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC001162390864 939042427 /nfs/dbraw/zinc/04/24/27/939042427.db2.gz JEXMSTJQDONJLL-BDAKNGLRSA-N 1 0 294.311 1.458 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(N[C@@H]3C=C[C@H]4C[NH2+]C[C@H]43)cnc2c1 ZINC001162789375 939139059 /nfs/dbraw/zinc/13/90/59/939139059.db2.gz DFTWESHWWVRPOT-MVWJERBFSA-N 1 0 297.318 1.724 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)n1 ZINC001163172524 939219629 /nfs/dbraw/zinc/21/96/29/939219629.db2.gz UMVHMGXMYRTXLE-WZRBSPASSA-N 1 0 292.339 1.335 20 5 CDBDRO CC(C)N(c1ncc([N+](=O)[O-])cc1N)C(C)(C)C[NH3+] ZINC001163189680 939221990 /nfs/dbraw/zinc/22/19/90/939221990.db2.gz VWGUZNKKOPMCAZ-UHFFFAOYSA-N 1 0 267.333 1.524 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2C[NH2+]Cc3ccsc32)cn1 ZINC001163227895 939228893 /nfs/dbraw/zinc/22/88/93/939228893.db2.gz DZBRENRYRNDVLO-MRVPVSSYSA-N 1 0 277.309 1.703 20 5 CDBDRO Cc1c(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)cc(F)cc1[N+](=O)[O-] ZINC001163250987 939232270 /nfs/dbraw/zinc/23/22/70/939232270.db2.gz PVJAIONESHXWHE-WCQYABFASA-N 1 0 294.286 1.032 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2nc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)ccc12 ZINC001163261004 939234505 /nfs/dbraw/zinc/23/45/05/939234505.db2.gz DGRRUKNDONXZPC-MIMYLULJSA-N 1 0 287.323 1.881 20 5 CDBDRO CN(C)/C=C/c1cc(NCC2([NH3+])CCC2)ncc1[N+](=O)[O-] ZINC001163327264 939248223 /nfs/dbraw/zinc/24/82/23/939248223.db2.gz VOOHZTVBSRBMEX-QPJJXVBHSA-N 1 0 291.355 1.815 20 5 CDBDRO C[NH2+]CCN(C)c1nc(C)nc(Cl)c1[N+](=O)[O-] ZINC001163719172 939314468 /nfs/dbraw/zinc/31/44/68/939314468.db2.gz PDDFRIHJVUFSED-UHFFFAOYSA-N 1 0 259.697 1.002 20 5 CDBDRO [NH3+]CCN(CCO)c1cc2cccnc2c2ncccc12 ZINC001163836104 939339728 /nfs/dbraw/zinc/33/97/28/939339728.db2.gz MMARQRMGELUNHK-UHFFFAOYSA-N 1 0 282.347 1.540 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(-n2cnc3c2C[NH2+]CC3)n1 ZINC001164310250 939451319 /nfs/dbraw/zinc/45/13/19/939451319.db2.gz NATYJPUAAUQPGM-UHFFFAOYSA-N 1 0 294.702 1.178 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H](C[NH3+])CC[C@@H]2C)n1 ZINC001164467732 939476346 /nfs/dbraw/zinc/47/63/46/939476346.db2.gz LXDHSMIVOPBAIR-WCBMZHEXSA-N 1 0 295.343 1.265 20 5 CDBDRO Cc1nc(N2CC[N@@H+](C(C)C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC001165201505 939523166 /nfs/dbraw/zinc/52/31/66/939523166.db2.gz NJJNGCLUWZPXSZ-SNVBAGLBSA-N 1 0 279.344 1.612 20 5 CDBDRO COc1ncc([N+](=O)[O-])c(NCC[C@H]2CCC[N@H+](C)C2)n1 ZINC001165261336 939535563 /nfs/dbraw/zinc/53/55/63/939535563.db2.gz ONBZSTFQEOMJKU-SNVBAGLBSA-N 1 0 295.343 1.537 20 5 CDBDRO [NH3+][C@@]12C[C@@H]1CCN(c1cc([N+](=O)[O-])cc(Cl)n1)C2 ZINC001165324325 939545296 /nfs/dbraw/zinc/54/52/96/939545296.db2.gz ISXUWRDNECCEGM-WRWORJQWSA-N 1 0 268.704 1.571 20 5 CDBDRO [NH3+][C@H]1CCN(c2cc(Cl)cc([N+](=O)[O-])n2)CC1(F)F ZINC001166960649 939661347 /nfs/dbraw/zinc/66/13/47/939661347.db2.gz JSZDHIGWDOWAEM-ZETCQYMHSA-N 1 0 292.673 1.816 20 5 CDBDRO C[C@]1([NH3+])CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000405832575 940998585 /nfs/dbraw/zinc/99/85/85/940998585.db2.gz UFAOFPSKTSGPSO-JTQLQIEISA-N 1 0 255.299 1.220 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(O[C@H]3CCC[NH2+]C3)oc2c1 ZINC001218282033 941050603 /nfs/dbraw/zinc/05/06/03/941050603.db2.gz OBGPVXRXSREAQC-VIFPVBQESA-N 1 0 263.253 1.867 20 5 CDBDRO O=[N+]([O-])c1cccc2oc(O[C@H]3CCC[NH2+]C3)nc21 ZINC001218281843 941050608 /nfs/dbraw/zinc/05/06/08/941050608.db2.gz LAIDGLGMSMZXKU-QMMMGPOBSA-N 1 0 263.253 1.867 20 5 CDBDRO CC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1CCC[NH2+]C1 ZINC001218284911 941051600 /nfs/dbraw/zinc/05/16/00/941051600.db2.gz YRAYAXIWGSGQNJ-JTQLQIEISA-N 1 0 264.281 1.928 20 5 CDBDRO CSc1nccc(CO[C@H](C)C[N+](C)(C)C)n1 ZINC001224110491 941721054 /nfs/dbraw/zinc/72/10/54/941721054.db2.gz NFANIVCQXJNEDI-SNVBAGLBSA-N 1 0 256.395 1.810 20 5 CDBDRO COc1ccccc1NC(=O)CO[C@@H](C)C[N+](C)(C)C ZINC001224459610 941757146 /nfs/dbraw/zinc/75/71/46/941757146.db2.gz HQFWXPCOLDMPJG-LBPRGKRZSA-O 1 0 281.376 1.745 20 5 CDBDRO C[N+](C)(C)CCCO[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001224621411 941777509 /nfs/dbraw/zinc/77/75/09/941777509.db2.gz UDGRPXSKYLEDEH-INIZCTEOSA-N 1 0 291.415 1.900 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C)OCCC[N+](C)(C)C ZINC001224622174 941777513 /nfs/dbraw/zinc/77/75/13/941777513.db2.gz GCNSUKLYZQWSBG-NSHDSACASA-N 1 0 285.368 1.601 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2cccnc2c1 ZINC001225648195 941894274 /nfs/dbraw/zinc/89/42/74/941894274.db2.gz YNWYUXRHAWDYTG-CYBMUJFWSA-N 1 0 289.355 1.597 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(F)ccc1F ZINC001225901177 941926469 /nfs/dbraw/zinc/92/64/69/941926469.db2.gz NCMFYAPSWMEWAE-SNVBAGLBSA-N 1 0 274.287 1.327 20 5 CDBDRO COc1cc(OC2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001226576287 942029130 /nfs/dbraw/zinc/02/91/30/942029130.db2.gz PNMSWSXOPCNVBD-UHFFFAOYSA-N 1 0 267.285 1.471 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001227111376 942134907 /nfs/dbraw/zinc/13/49/07/942134907.db2.gz KSURXHRDYBNFOW-QMMMGPOBSA-N 1 0 285.280 1.372 20 5 CDBDRO C[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227462274 942179492 /nfs/dbraw/zinc/17/94/92/942179492.db2.gz CFQMZMVTFNEBCF-VIFPVBQESA-N 1 0 267.241 1.586 20 5 CDBDRO C[C@H](C[NH+](C)C)Oc1ncc([N+](=O)[O-])c2nc[nH]c21 ZINC001227690145 942205622 /nfs/dbraw/zinc/20/56/22/942205622.db2.gz GOKORNCTPLMBDB-SSDOTTSWSA-N 1 0 265.273 1.195 20 5 CDBDRO COC(=O)c1ccc(O)c(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001227825603 942233285 /nfs/dbraw/zinc/23/32/85/942233285.db2.gz MMIAPPGXWKVTFV-VIFPVBQESA-O 1 0 269.321 1.047 20 5 CDBDRO COC(=O)c1cccc(O[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC001227894815 942241298 /nfs/dbraw/zinc/24/12/98/942241298.db2.gz QCKSVQOVGREBTG-VIFPVBQESA-N 1 0 282.296 1.710 20 5 CDBDRO CC(=O)c1c(O[C@H](C)C[N+](C)(C)C)cc(C)oc1=O ZINC001229186810 942430079 /nfs/dbraw/zinc/43/00/79/942430079.db2.gz MCYZNYIQXNUKIB-SNVBAGLBSA-N 1 0 268.333 1.624 20 5 CDBDRO COc1cccc2nc(=O)[nH]c(O[C@H](C)C[N+](C)(C)C)c21 ZINC001229237795 942437876 /nfs/dbraw/zinc/43/78/76/942437876.db2.gz BDJLVJMSVBWXGM-SNVBAGLBSA-O 1 0 292.359 1.818 20 5 CDBDRO CCOC(=O)c1c(O)cc(O)cc1O[C@@H](C)C[N+](C)(C)C ZINC001229746748 942525325 /nfs/dbraw/zinc/52/53/25/942525325.db2.gz KMEIBQPYBKCMRY-JTQLQIEISA-O 1 0 298.359 1.748 20 5 CDBDRO CC(=O)c1ccc(F)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001230560866 942642860 /nfs/dbraw/zinc/64/28/60/942642860.db2.gz ZXHCHZSXPNVBHL-GFCCVEGCSA-N 1 0 298.334 1.391 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@@H](O)C1 ZINC001254538655 947515753 /nfs/dbraw/zinc/51/57/53/947515753.db2.gz YCZRRHLYNZWGGZ-GMXVVIOVSA-N 1 0 264.325 1.886 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C)C1=O ZINC001254536789 947515760 /nfs/dbraw/zinc/51/57/60/947515760.db2.gz TVAWREZDNVEODA-JQWIXIFHSA-N 1 0 277.324 1.346 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CN(C2COC2)C1 ZINC001254546975 947518424 /nfs/dbraw/zinc/51/84/24/947518424.db2.gz BFHIHDXSTMVDIP-LLVKDONJSA-N 1 0 291.351 1.198 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1(O)CCCC1)C2 ZINC001254566218 947528147 /nfs/dbraw/zinc/52/81/47/947528147.db2.gz ITIWZEFPSBYBLD-ZDUSSCGKSA-N 1 0 276.336 1.957 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCN1CCCC1)C2 ZINC001254571260 947531431 /nfs/dbraw/zinc/53/14/31/947531431.db2.gz RJMUZTGSZBWBDS-CQSZACIVSA-N 1 0 275.352 1.747 20 5 CDBDRO Cc1nc(NCC[N@H+]2CCC[C@H]2C)ncc1[N+](=O)[O-] ZINC001326491500 954406809 /nfs/dbraw/zinc/40/68/09/954406809.db2.gz GTPYUHFJBIMROB-SECBINFHSA-N 1 0 265.317 1.589 20 5 CDBDRO NC(=O)[C@H]1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001308815942 956586149 /nfs/dbraw/zinc/58/61/49/956586149.db2.gz SKZMKRLJGOKOJC-NWDGAFQWSA-N 1 0 277.324 1.381 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2(O)CCCC2)c1 ZINC001335951364 960119321 /nfs/dbraw/zinc/11/93/21/960119321.db2.gz MVWBSZBHKSETNW-ZDUSSCGKSA-N 1 0 280.324 1.523 20 5 CDBDRO C[C@H](NC(=O)N[C@]1(C)CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001336709964 960489175 /nfs/dbraw/zinc/48/91/75/960489175.db2.gz LCLAOUPVBAUQRK-IINYFYTJSA-N 1 0 292.339 1.707 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1C=CCC1 ZINC001338489842 961831380 /nfs/dbraw/zinc/83/13/80/961831380.db2.gz XRJBBPJFTMFBAB-NEPJUHHUSA-N 1 0 278.308 1.643 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc(N)c([N+](=O)[O-])n1 ZINC001339608471 962448545 /nfs/dbraw/zinc/44/85/45/962448545.db2.gz BWDXMRJTZWIUBM-LDYMZIIASA-N 1 0 277.328 1.467 20 5 CDBDRO CC[C@@H](C)[NH+]1CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001339741652 962514551 /nfs/dbraw/zinc/51/45/51/962514551.db2.gz GTBOXXWQSZLXSS-SNVBAGLBSA-N 1 0 279.344 1.493 20 5 CDBDRO Cc1cc(F)cc(C(=O)NCCC[NH2+]C2CC2)c1[N+](=O)[O-] ZINC001341166109 963304774 /nfs/dbraw/zinc/30/47/74/963304774.db2.gz MJZBSQOCBCFCRF-UHFFFAOYSA-N 1 0 295.314 1.914 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC001341734782 963525550 /nfs/dbraw/zinc/52/55/50/963525550.db2.gz ZFLQTSSFDQPZCR-LLVKDONJSA-N 1 0 295.364 1.784 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001343505901 964013312 /nfs/dbraw/zinc/01/33/12/964013312.db2.gz OTMXHVBOHPDKRY-CYZMBNFOSA-N 1 0 277.324 1.552 20 5 CDBDRO CO[C@@]1(C)C[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001346376135 965070992 /nfs/dbraw/zinc/07/09/92/965070992.db2.gz IESFLWYGFBTQNS-XQQFMLRXSA-N 1 0 266.297 1.395 20 5 CDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC2(C[NH2+]C2)CC1 ZINC001548506000 974842076 /nfs/dbraw/zinc/84/20/76/974842076.db2.gz KVNBHQAWRFKWNW-UHFFFAOYSA-N 1 0 293.298 1.560 20 5 CDBDRO Cc1cnc(N[C@@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC000090691976 1174188572 /nfs/dbraw/zinc/18/85/72/1174188572.db2.gz XQSSXHFYKFOHNL-LLVKDONJSA-N 1 0 262.313 1.804 20 5 CDBDRO CCCN(C(=O)[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC001573743449 1170752523 /nfs/dbraw/zinc/75/25/23/1170752523.db2.gz YRVACLQQUCRDFJ-NSHDSACASA-N 1 0 277.324 1.947 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@@H]1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001578234218 1171843325 /nfs/dbraw/zinc/84/33/25/1171843325.db2.gz OQODVFOGFRJDEI-HONMWMINSA-N 1 0 291.351 1.955 20 5 CDBDRO CN(c1c([N+](=O)[O-])ncn1C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000588073566 342491810 /nfs/dbraw/zinc/49/18/10/342491810.db2.gz VGAKMRCURJWPTP-ZACCUICWSA-N 1 0 279.344 1.390 20 5 CDBDRO Cc1cc(N[C@@H](CO)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000589101429 342496879 /nfs/dbraw/zinc/49/68/79/342496879.db2.gz DFTYVDQCIYAUFI-LLVKDONJSA-N 1 0 253.302 1.238 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000590140443 342522861 /nfs/dbraw/zinc/52/28/61/342522861.db2.gz IMXMYLDTTIBDON-SNVBAGLBSA-N 1 0 290.327 1.025 20 5 CDBDRO Cc1c(CNC(=O)[C@H]2CC[NH2+][C@H]2C)cccc1[N+](=O)[O-] ZINC000231857014 341994793 /nfs/dbraw/zinc/99/47/93/341994793.db2.gz QPEJYTPGBWLJFQ-JQWIXIFHSA-N 1 0 277.324 1.517 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601329482 342554642 /nfs/dbraw/zinc/55/46/42/342554642.db2.gz JPCBTVOXORGYDH-AOOOYVTPSA-N 1 0 265.288 1.670 20 5 CDBDRO COc1ccc(OCCN2C[C@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000601330585 342554698 /nfs/dbraw/zinc/55/46/98/342554698.db2.gz UXZWCFWXSKEASV-WDEREUQCSA-N 1 0 295.339 1.404 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000127686247 187326368 /nfs/dbraw/zinc/32/63/68/187326368.db2.gz IRBXMPCMMMHUQO-MRZGDXHCSA-N 1 0 289.335 1.818 20 5 CDBDRO COc1cccc(C(=O)N2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC000564937047 365551292 /nfs/dbraw/zinc/55/12/92/365551292.db2.gz NTBFYCNQHRKDLK-UHFFFAOYSA-N 1 0 279.296 1.167 20 5 CDBDRO CC(C)C[NH+]1CCC(Nc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000590570167 342576991 /nfs/dbraw/zinc/57/69/91/342576991.db2.gz SQYSAFRFVUGKOD-UHFFFAOYSA-N 1 0 293.371 1.526 20 5 CDBDRO Cc1n[nH]c(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000600315534 342089635 /nfs/dbraw/zinc/08/96/35/342089635.db2.gz USFGPFBDGFKVST-SNVBAGLBSA-N 1 0 295.343 1.088 20 5 CDBDRO COc1ccc(C[NH2+]C[C@@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000590971957 342612317 /nfs/dbraw/zinc/61/23/17/342612317.db2.gz ZRKJEBBALUKNBQ-NSHDSACASA-N 1 0 293.323 1.219 20 5 CDBDRO O=[N+]([O-])c1ccc(CNC[C@H]2CCCC[NH2+]2)c(F)c1 ZINC000591275656 342623945 /nfs/dbraw/zinc/62/39/45/342623945.db2.gz PQVCPWTWJJMMCN-LLVKDONJSA-N 1 0 267.304 1.966 20 5 CDBDRO C[C@@H](NC(=O)NC[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000591344097 342628700 /nfs/dbraw/zinc/62/87/00/342628700.db2.gz DVTARAUWWVOXDP-DTWKUNHWSA-N 1 0 266.301 1.302 20 5 CDBDRO COCC(C)(C)[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000591829724 342648054 /nfs/dbraw/zinc/64/80/54/342648054.db2.gz SAZHPQDQBNYXMG-UHFFFAOYSA-N 1 0 294.355 1.537 20 5 CDBDRO COC(=O)c1ccc(OCC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000592163957 342671110 /nfs/dbraw/zinc/67/11/10/342671110.db2.gz JORUTLWPKYAEQQ-SNVBAGLBSA-N 1 0 294.307 1.760 20 5 CDBDRO O=[N+]([O-])c1cn(CC2CC[NH2+]CC2)nc1C1CC1 ZINC000592170779 342671752 /nfs/dbraw/zinc/67/17/52/342671752.db2.gz OCZYAEHVSVGPJB-UHFFFAOYSA-N 1 0 250.302 1.668 20 5 CDBDRO CN(CCC[NH3+])Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592427543 342694758 /nfs/dbraw/zinc/69/47/58/342694758.db2.gz AUTUEKNOEQEEJN-UHFFFAOYSA-N 1 0 281.312 1.147 20 5 CDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCC[NH3+] ZINC000592473634 342698456 /nfs/dbraw/zinc/69/84/56/342698456.db2.gz KMSQGQCMSVCABN-SNVBAGLBSA-N 1 0 280.328 1.202 20 5 CDBDRO O=[N+]([O-])c1c2cccnc2ccc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000083420301 178429553 /nfs/dbraw/zinc/42/95/53/178429553.db2.gz UQAJXDNUQCSYSW-GHMZBOCLSA-N 1 0 284.319 1.799 20 5 CDBDRO C[C@@H]1[C@H](C(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000592779292 342727450 /nfs/dbraw/zinc/72/74/50/342727450.db2.gz SYKALTDUSZXPTM-BXUZGUMPSA-N 1 0 291.351 1.594 20 5 CDBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000289933835 361903635 /nfs/dbraw/zinc/90/36/35/361903635.db2.gz LCUIRJATDIDAQE-STQMWFEESA-N 1 0 291.351 1.642 20 5 CDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCC[NH+]1CCCC1 ZINC000593391964 342794119 /nfs/dbraw/zinc/79/41/19/342794119.db2.gz OVEWTRDBQIEZHR-UHFFFAOYSA-N 1 0 295.314 1.488 20 5 CDBDRO COC[C@H](O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000129645242 342190009 /nfs/dbraw/zinc/19/00/09/342190009.db2.gz ONZZNJUCRSAFKI-CMPLNLGQSA-N 1 0 268.313 1.561 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@@]2(O)CCCOC2)c1 ZINC000593691297 342823301 /nfs/dbraw/zinc/82/33/01/342823301.db2.gz VROFVCWHRGNUPE-AWEZNQCLSA-N 1 0 280.324 1.616 20 5 CDBDRO CN(CC[NH+]1CCCCC1)c1cccnc1[N+](=O)[O-] ZINC000593516496 342805707 /nfs/dbraw/zinc/80/57/07/342805707.db2.gz OORXWNLMUQMSIP-UHFFFAOYSA-N 1 0 264.329 1.912 20 5 CDBDRO C[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000593726447 342829424 /nfs/dbraw/zinc/82/94/24/342829424.db2.gz HZERAIGWLOXVOX-PWSUYJOCSA-N 1 0 279.340 1.717 20 5 CDBDRO Cc1c(NC(=O)CC[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000070315666 361937480 /nfs/dbraw/zinc/93/74/80/361937480.db2.gz NDMBSUFRFDCUKJ-MRVPVSSYSA-N 1 0 251.286 1.969 20 5 CDBDRO CO[C@@H](C[NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000290017305 361975778 /nfs/dbraw/zinc/97/57/78/361975778.db2.gz QTGVXBODGMVKSI-ZDUSSCGKSA-N 1 0 295.339 1.306 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1(CO)CC1 ZINC000594496351 342914124 /nfs/dbraw/zinc/91/41/24/342914124.db2.gz KSWKZGLCWSCILB-GFCCVEGCSA-N 1 0 262.309 1.944 20 5 CDBDRO Cc1ccc(NC(=O)[C@@H]2CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000092950748 342270433 /nfs/dbraw/zinc/27/04/33/342270433.db2.gz ABPUNSWYQLBBBY-GXSJLCMTSA-N 1 0 263.297 1.840 20 5 CDBDRO CC[C@@H](C)CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000594718197 342947590 /nfs/dbraw/zinc/94/75/90/342947590.db2.gz KRTWBSJWXLABNN-PWSUYJOCSA-N 1 0 270.333 1.178 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)C[C@H]21 ZINC000125808534 187200512 /nfs/dbraw/zinc/20/05/12/187200512.db2.gz XDUBVJPDGUSURS-IVZWLZJFSA-N 1 0 295.364 1.856 20 5 CDBDRO CCCn1nccc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000594931612 342975076 /nfs/dbraw/zinc/97/50/76/342975076.db2.gz QCOHYVRDBSUCRF-UHFFFAOYSA-N 1 0 278.316 1.188 20 5 CDBDRO Cc1noc(CN2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000595292661 343025396 /nfs/dbraw/zinc/02/53/96/343025396.db2.gz CHBAONZAPJDGKN-UHFFFAOYSA-N 1 0 280.328 1.419 20 5 CDBDRO O=[N+]([O-])c1cccc(-n2cc(C3CC[NH2+]CC3)nn2)c1 ZINC000405082261 349778941 /nfs/dbraw/zinc/77/89/41/349778941.db2.gz MSYPYTVFHFNXOA-UHFFFAOYSA-N 1 0 273.296 1.643 20 5 CDBDRO CC[N@@H+]1CCN(Cc2onc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000595387541 343052558 /nfs/dbraw/zinc/05/25/58/343052558.db2.gz CYNAHXISGOFCHL-SECBINFHSA-N 1 0 268.317 1.417 20 5 CDBDRO CC(C)([NH2+]C[C@@H]1CNC(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000595508545 343080815 /nfs/dbraw/zinc/08/08/15/343080815.db2.gz BFKWMNIOPCBDSE-JTQLQIEISA-N 1 0 277.324 1.556 20 5 CDBDRO Cc1noc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1[N+](=O)[O-] ZINC000595513712 343082687 /nfs/dbraw/zinc/08/26/87/343082687.db2.gz ZXNCMUYOMSTRHX-BIMULSAOSA-N 1 0 293.323 1.938 20 5 CDBDRO CC[NH+](CC)[C@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000078575992 342338477 /nfs/dbraw/zinc/33/84/77/342338477.db2.gz XSYBAWALDWHVJF-NSHDSACASA-N 1 0 264.329 1.910 20 5 CDBDRO Cc1noc(C[N@H+]2CCC[C@@H](C)[C@@H]2CCO)c1[N+](=O)[O-] ZINC000595690138 343132660 /nfs/dbraw/zinc/13/26/60/343132660.db2.gz VNLVNNPJLMAKJK-KOLCDFICSA-N 1 0 283.328 1.874 20 5 CDBDRO CC(C)CC1([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000595832673 343169338 /nfs/dbraw/zinc/16/93/38/343169338.db2.gz XZJQMUVSFHLKFK-LBPRGKRZSA-N 1 0 282.344 1.321 20 5 CDBDRO [NH3+]C1(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCCC1 ZINC000595966469 343198365 /nfs/dbraw/zinc/19/83/65/343198365.db2.gz GPJRMPUFCZYOBJ-UHFFFAOYSA-N 1 0 281.287 1.735 20 5 CDBDRO O=c1[nH]ccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000596076858 343226877 /nfs/dbraw/zinc/22/68/77/343226877.db2.gz QTEVZTYUYQSUBV-GXSJLCMTSA-N 1 0 278.312 1.734 20 5 CDBDRO Nc1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)nc1[N+](=O)[O-] ZINC000596143103 343242439 /nfs/dbraw/zinc/24/24/39/343242439.db2.gz YAIYXFHCEAJVDI-SNVBAGLBSA-N 1 0 275.312 1.023 20 5 CDBDRO Cn1ccnc1[C@H]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596174242 343260090 /nfs/dbraw/zinc/26/00/90/343260090.db2.gz JHQPUVLRQRFZSF-VIFPVBQESA-N 1 0 289.295 1.423 20 5 CDBDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000597218274 343483324 /nfs/dbraw/zinc/48/33/24/343483324.db2.gz OPILPKKWYVJHPV-PHIMTYICSA-N 1 0 264.281 1.636 20 5 CDBDRO C[NH+](C)CC1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000597709457 343606548 /nfs/dbraw/zinc/60/65/48/343606548.db2.gz VUZBNSGMKOQWLX-UHFFFAOYSA-N 1 0 297.742 1.882 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000178968704 290698210 /nfs/dbraw/zinc/69/82/10/290698210.db2.gz CLRBLLCZVZFSQP-ZDUSSCGKSA-N 1 0 291.351 1.595 20 5 CDBDRO CC(C)c1n[nH]c(C(=O)NCC[C@@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000597991642 343682147 /nfs/dbraw/zinc/68/21/47/343682147.db2.gz GFBOZMJHENWHCZ-SECBINFHSA-N 1 0 297.359 1.511 20 5 CDBDRO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])n1C)[NH+](C)C ZINC000597995876 343684555 /nfs/dbraw/zinc/68/45/55/343684555.db2.gz GVQRLMXGUBHOJE-SECBINFHSA-N 1 0 268.317 1.003 20 5 CDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000111828896 365797646 /nfs/dbraw/zinc/79/76/46/365797646.db2.gz JCZHMCHYBQRGEF-VIFPVBQESA-N 1 0 283.303 1.837 20 5 CDBDRO C[NH2+]C1(CNc2nccc(C(=O)OC)c2[N+](=O)[O-])CCC1 ZINC000598634161 343850175 /nfs/dbraw/zinc/85/01/75/343850175.db2.gz RHNWGKBJSCBIJK-UHFFFAOYSA-N 1 0 294.311 1.330 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598684706 343864791 /nfs/dbraw/zinc/86/47/91/343864791.db2.gz XTDDDKVLCGETCO-DOMZBBRYSA-N 1 0 291.351 1.917 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598915777 343920134 /nfs/dbraw/zinc/92/01/34/343920134.db2.gz OPLIWQCHWSCWAL-IUCAKERBSA-N 1 0 296.302 1.935 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CC)CC[NH3+] ZINC000599605571 344101909 /nfs/dbraw/zinc/10/19/09/344101909.db2.gz JUTGGMBHNVINCT-UHFFFAOYSA-N 1 0 280.328 1.970 20 5 CDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C1 ZINC000127219373 187289859 /nfs/dbraw/zinc/28/98/59/187289859.db2.gz YLQQMGXSVZTVJC-SECBINFHSA-N 1 0 281.337 1.165 20 5 CDBDRO C[NH+](C)CC1(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000602045200 344323993 /nfs/dbraw/zinc/32/39/93/344323993.db2.gz FRQDXRJGFYYFBU-UHFFFAOYSA-N 1 0 289.335 1.826 20 5 CDBDRO C[NH+](C)CC1(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000602086859 344330098 /nfs/dbraw/zinc/33/00/98/344330098.db2.gz ZZWANJQMDSOGLR-UHFFFAOYSA-N 1 0 277.324 1.553 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000602597616 344503748 /nfs/dbraw/zinc/50/37/48/344503748.db2.gz VZGXKVZIWMIQQO-XCBNKYQSSA-N 1 0 267.260 1.296 20 5 CDBDRO CC(C)(C)C(=O)NCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602545112 344461696 /nfs/dbraw/zinc/46/16/96/344461696.db2.gz SUQZZTAJWJTXPC-UHFFFAOYSA-N 1 0 293.367 1.889 20 5 CDBDRO CSC[C@H](CCO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602555285 344466196 /nfs/dbraw/zinc/46/61/96/344466196.db2.gz FKHWDRSNVHQEGJ-LBPRGKRZSA-N 1 0 284.381 1.841 20 5 CDBDRO CCN(CC[NH3+])C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000602538607 344472127 /nfs/dbraw/zinc/47/21/27/344472127.db2.gz GWIZYFAKOHKOAB-UHFFFAOYSA-N 1 0 283.353 1.494 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC2(CC2)CC1 ZINC000602799980 344589706 /nfs/dbraw/zinc/58/97/06/344589706.db2.gz SPWFKJDENZYXMB-UHFFFAOYSA-N 1 0 264.329 1.976 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN(C)Cc1cnccn1 ZINC000602777437 344593615 /nfs/dbraw/zinc/59/36/15/344593615.db2.gz FAMOWRRTDGQGLL-UHFFFAOYSA-N 1 0 276.300 1.022 20 5 CDBDRO CC[C@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CCS1 ZINC000602779147 344594970 /nfs/dbraw/zinc/59/49/70/344594970.db2.gz BIGIDNADWSXALV-NSHDSACASA-N 1 0 284.385 1.927 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000154674260 529998262 /nfs/dbraw/zinc/99/82/62/529998262.db2.gz WEDANQVPIMDLDH-ZETCQYMHSA-N 1 0 271.342 1.550 20 5 CDBDRO COCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CCCC1 ZINC000602764335 344585019 /nfs/dbraw/zinc/58/50/19/344585019.db2.gz QJMKISQKWMNQNG-UHFFFAOYSA-N 1 0 296.371 1.991 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC=C(F)C1 ZINC000602798107 344588558 /nfs/dbraw/zinc/58/85/58/344588558.db2.gz MRAFXMMCGGPWGN-UHFFFAOYSA-N 1 0 254.265 1.659 20 5 CDBDRO CCOCC[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602799049 344589429 /nfs/dbraw/zinc/58/94/29/344589429.db2.gz QLVQZNWJSDBTNJ-UHFFFAOYSA-N 1 0 256.306 1.068 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CC1CCC1)[C@@H](C)CO ZINC000602819494 344608627 /nfs/dbraw/zinc/60/86/27/344608627.db2.gz DCTCLGSATCAZGF-NSHDSACASA-N 1 0 296.371 1.583 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000602822330 344610315 /nfs/dbraw/zinc/61/03/15/344610315.db2.gz RHIWDDGGTKAIFV-SKDRFNHKSA-N 1 0 268.317 1.257 20 5 CDBDRO CO[C@]1(C)CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602823199 344610380 /nfs/dbraw/zinc/61/03/80/344610380.db2.gz ZOPBAMUJZCKIML-CQSZACIVSA-N 1 0 296.371 1.991 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000602902065 344655282 /nfs/dbraw/zinc/65/52/82/344655282.db2.gz FOUGIFVOEVPVCN-MFKMUULPSA-N 1 0 282.344 1.050 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602842136 344622159 /nfs/dbraw/zinc/62/21/59/344622159.db2.gz QHZZDMWNSIAYMV-ZYHUDNBSSA-N 1 0 282.344 1.457 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)OC2(CCC2)C1 ZINC000602848658 344625389 /nfs/dbraw/zinc/62/53/89/344625389.db2.gz FDQJVCVBXZOLCM-LLVKDONJSA-N 1 0 294.355 1.743 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1CSCC[NH2+]1 ZINC000603421288 344800251 /nfs/dbraw/zinc/80/02/51/344800251.db2.gz ZGJMBYYTADVEST-MRVPVSSYSA-N 1 0 288.760 1.760 20 5 CDBDRO Cc1ccc(C(=O)NC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000129210629 362536738 /nfs/dbraw/zinc/53/67/38/362536738.db2.gz JZXWLGVAAWEZIR-LLVKDONJSA-N 1 0 263.297 1.370 20 5 CDBDRO Cc1sc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000293411031 362558365 /nfs/dbraw/zinc/55/83/65/362558365.db2.gz NDDVJWDMOAMYTK-ZJUUUORDSA-N 1 0 295.364 1.789 20 5 CDBDRO CC(C)[C@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075747775 345609327 /nfs/dbraw/zinc/60/93/27/345609327.db2.gz BQTXWKJPFQREOY-UONOGXRCSA-N 1 0 296.371 1.663 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000609548626 345641617 /nfs/dbraw/zinc/64/16/17/345641617.db2.gz QBLISKFWLGASDC-CQSZACIVSA-N 1 0 291.351 1.738 20 5 CDBDRO CO[C@]1(C[NH2+]CCc2ccccc2[N+](=O)[O-])CCOC1 ZINC000160360797 345998677 /nfs/dbraw/zinc/99/86/77/345998677.db2.gz XHGLSIGCEPGXMN-AWEZNQCLSA-N 1 0 280.324 1.532 20 5 CDBDRO C[C@@H]1CCC[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000231658593 346560726 /nfs/dbraw/zinc/56/07/26/346560726.db2.gz UBQKSXVEZMJJCS-YRGRVCCFSA-N 1 0 296.371 1.568 20 5 CDBDRO O=[N+]([O-])c1ncccc1N1CCC([NH2+]C2CC2)CC1 ZINC000611078583 346600565 /nfs/dbraw/zinc/60/05/65/346600565.db2.gz MUYKURUMAFNIQQ-UHFFFAOYSA-N 1 0 262.313 1.711 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](OCC[NH+](C)C)C1 ZINC000611298010 346739480 /nfs/dbraw/zinc/73/94/80/346739480.db2.gz CXJXLQJZLRCKRX-ZDUSSCGKSA-N 1 0 294.355 1.455 20 5 CDBDRO Cc1ccncc1[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000611337041 346751000 /nfs/dbraw/zinc/75/10/00/346751000.db2.gz WTGOEEKBIZPELH-NSHDSACASA-N 1 0 275.312 1.846 20 5 CDBDRO O=[N+]([O-])c1ccccc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000112090931 365872884 /nfs/dbraw/zinc/87/28/84/365872884.db2.gz DFQYHFAXGACCSP-VXGBXAGGSA-N 1 0 277.324 1.870 20 5 CDBDRO CC(C)[C@H]([NH3+])c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000312157685 347675835 /nfs/dbraw/zinc/67/58/35/347675835.db2.gz JHVKXHFJQGCPAD-ZDUSSCGKSA-N 1 0 275.312 1.890 20 5 CDBDRO CCOCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000061019462 348901223 /nfs/dbraw/zinc/90/12/23/348901223.db2.gz IGPHVKOIZDZGJK-UHFFFAOYSA-N 1 0 279.340 1.753 20 5 CDBDRO CSC[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552705 180002775 /nfs/dbraw/zinc/00/27/75/180002775.db2.gz GHQDRWHUBVHYCY-GFCCVEGCSA-N 1 0 297.380 1.584 20 5 CDBDRO Cc1cnc(NC[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000090692035 180024514 /nfs/dbraw/zinc/02/45/14/180024514.db2.gz JTFXFAFGJMJXDJ-JTQLQIEISA-N 1 0 250.302 1.662 20 5 CDBDRO COC[C@](C)([NH3+])CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000271288729 191052380 /nfs/dbraw/zinc/05/23/80/191052380.db2.gz HTPILMXWKWKALD-GFCCVEGCSA-N 1 0 253.302 1.679 20 5 CDBDRO Cc1cnn(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000105881283 186082684 /nfs/dbraw/zinc/08/26/84/186082684.db2.gz WXLIEISZJIACMV-UHFFFAOYSA-N 1 0 260.297 1.890 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000236080627 362969111 /nfs/dbraw/zinc/96/91/11/362969111.db2.gz GQQQQAGQBFPJPT-GFCCVEGCSA-N 1 0 294.355 1.441 20 5 CDBDRO C[C@@](O)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000311494726 350688301 /nfs/dbraw/zinc/68/83/01/350688301.db2.gz CWZWGFYHYVSXRR-CQSZACIVSA-N 1 0 264.325 1.888 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+]CCn2cncn2)cc1[N+](=O)[O-] ZINC000268850374 366005529 /nfs/dbraw/zinc/00/55/29/366005529.db2.gz SPZRMIPERAJNKU-NSHDSACASA-N 1 0 275.312 1.846 20 5 CDBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 ZINC000312671027 350788979 /nfs/dbraw/zinc/78/89/79/350788979.db2.gz IYTAPTICEHCHNT-ZANVPECISA-N 1 0 278.312 1.124 20 5 CDBDRO COc1ccc(CC(=O)NC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000067906124 351017075 /nfs/dbraw/zinc/01/70/75/351017075.db2.gz LVVGDRSMIOWUSI-SNVBAGLBSA-N 1 0 295.339 1.212 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000113455178 186579020 /nfs/dbraw/zinc/57/90/20/186579020.db2.gz KXAJKRPUTNZSHN-LBPRGKRZSA-N 1 0 291.351 1.927 20 5 CDBDRO Nc1c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000275776070 351292752 /nfs/dbraw/zinc/29/27/52/351292752.db2.gz PABRCZPHWGKUCC-DTWKUNHWSA-N 1 0 278.312 1.177 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000130354461 187487606 /nfs/dbraw/zinc/48/76/06/187487606.db2.gz NGSUIACYEBKULG-LLVKDONJSA-N 1 0 265.313 1.842 20 5 CDBDRO C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000122578852 187039774 /nfs/dbraw/zinc/03/97/74/187039774.db2.gz GRMTUJYXYSUKPY-MNOVXSKESA-N 1 0 252.318 1.769 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000052013333 363128401 /nfs/dbraw/zinc/12/84/01/363128401.db2.gz ZSKVDGXBGIXIIR-AAEUAGOBSA-N 1 0 280.324 1.997 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415378632 535188748 /nfs/dbraw/zinc/18/87/48/535188748.db2.gz CUSZFHUOLUBUQL-UHFFFAOYSA-N 1 0 281.316 1.051 20 5 CDBDRO Cc1sc(C(=O)N[C@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000295159182 199379355 /nfs/dbraw/zinc/37/93/55/199379355.db2.gz DONXEWLMVPYNPP-SSDOTTSWSA-N 1 0 271.342 1.822 20 5 CDBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H](C)CO ZINC000292298486 198234863 /nfs/dbraw/zinc/23/48/63/198234863.db2.gz UTFOERUUMIKWOR-SNVBAGLBSA-N 1 0 268.313 1.806 20 5 CDBDRO CC(C)[NH+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000271674128 191271352 /nfs/dbraw/zinc/27/13/52/191271352.db2.gz XQPQANUJGPIBQT-GFCCVEGCSA-N 1 0 270.333 1.271 20 5 CDBDRO CNC(=O)CCC[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000155068928 188179825 /nfs/dbraw/zinc/17/98/25/188179825.db2.gz KEFVOZSFEGEXAT-UHFFFAOYSA-N 1 0 295.339 1.432 20 5 CDBDRO Cc1ccc(NCCCNC(=O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000156090412 188242239 /nfs/dbraw/zinc/24/22/39/188242239.db2.gz QFDFVRXHGOGHGK-UHFFFAOYSA-N 1 0 294.355 1.383 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCO)C1CC1 ZINC000159678223 188436590 /nfs/dbraw/zinc/43/65/90/188436590.db2.gz IROPIUMYBNZWQN-LBPRGKRZSA-N 1 0 250.298 1.498 20 5 CDBDRO C[C@@H]([NH3+])CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000063170449 363277908 /nfs/dbraw/zinc/27/79/08/363277908.db2.gz SXWUTOHYVBSDHT-SSDOTTSWSA-N 1 0 271.704 1.715 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000063170406 363278065 /nfs/dbraw/zinc/27/80/65/363278065.db2.gz LDCNLKJYEWXTNM-ZETCQYMHSA-N 1 0 271.704 1.715 20 5 CDBDRO Nc1c(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cccc1[N+](=O)[O-] ZINC000365244554 363300339 /nfs/dbraw/zinc/30/03/39/363300339.db2.gz JUMHJYTZYCSWPH-GXSJLCMTSA-N 1 0 290.323 1.001 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365356626 363349230 /nfs/dbraw/zinc/34/92/30/363349230.db2.gz PHWGAKCPCZZPMT-DTWKUNHWSA-N 1 0 281.337 1.480 20 5 CDBDRO Cc1nn(C)c(N2CCC[C@@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000365426424 363376006 /nfs/dbraw/zinc/37/60/06/363376006.db2.gz HLRACYKSOJVBBA-LLVKDONJSA-N 1 0 281.360 1.557 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000063192664 363384276 /nfs/dbraw/zinc/38/42/76/363384276.db2.gz ONFJPSPWMLXOIO-GWCFXTLKSA-N 1 0 277.324 1.937 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000127089849 356267174 /nfs/dbraw/zinc/26/71/74/356267174.db2.gz LJFQSODOXPOKKK-ZYHUDNBSSA-N 1 0 277.324 1.599 20 5 CDBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(=O)[nH]n1 ZINC000286263200 356236912 /nfs/dbraw/zinc/23/69/12/356236912.db2.gz VASAJJBUPWFDKR-JTQLQIEISA-N 1 0 288.307 1.571 20 5 CDBDRO CC[N@@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000286261181 356238180 /nfs/dbraw/zinc/23/81/80/356238180.db2.gz AXRFBICXRAHDBK-ZDUSSCGKSA-N 1 0 293.367 2.000 20 5 CDBDRO CC[C@H]([NH3+])c1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000229935099 356322072 /nfs/dbraw/zinc/32/20/72/356322072.db2.gz KGXVZWNEQVPJDE-JTQLQIEISA-N 1 0 261.285 1.644 20 5 CDBDRO CCc1nn(C)c(N(C)CCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000358685033 356322307 /nfs/dbraw/zinc/32/23/07/356322307.db2.gz RLKANCHBSOSVLN-UHFFFAOYSA-N 1 0 295.387 1.813 20 5 CDBDRO CS(=O)(=O)c1ccc(NCCCC[NH3+])c([N+](=O)[O-])c1 ZINC000037714829 356522368 /nfs/dbraw/zinc/52/23/68/356522368.db2.gz ZSYDYNGLPXNOMD-UHFFFAOYSA-N 1 0 287.341 1.149 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000070177034 356732983 /nfs/dbraw/zinc/73/29/83/356732983.db2.gz MADDKKHAJYPTAE-ZWNOBZJWSA-N 1 0 277.324 1.794 20 5 CDBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)[C@@H](C)C1 ZINC000286492976 356771071 /nfs/dbraw/zinc/77/10/71/356771071.db2.gz XKYAWAVBAFIYAS-VIFPVBQESA-N 1 0 282.319 1.847 20 5 CDBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286163857 283235063 /nfs/dbraw/zinc/23/50/63/283235063.db2.gz SWOVRQHGTCCYLW-UHFFFAOYSA-N 1 0 297.359 1.512 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])o2)CCCC1 ZINC000046707948 357145464 /nfs/dbraw/zinc/14/54/64/357145464.db2.gz SCQZUTMBANFDNR-UHFFFAOYSA-N 1 0 281.312 1.792 20 5 CDBDRO CNc1ccc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000584345266 366383009 /nfs/dbraw/zinc/38/30/09/366383009.db2.gz CIIXWUIOKULIJW-MWLCHTKSSA-N 1 0 292.339 1.507 20 5 CDBDRO CC1(C)C[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566120639 357403337 /nfs/dbraw/zinc/40/33/37/357403337.db2.gz NTCFHZYIOVWWHS-AAEUAGOBSA-N 1 0 280.324 1.723 20 5 CDBDRO C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000361106257 357800517 /nfs/dbraw/zinc/80/05/17/357800517.db2.gz FIGRHLRFJMXKGC-OLZOCXBDSA-N 1 0 293.367 1.966 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000135236342 357809307 /nfs/dbraw/zinc/80/93/07/357809307.db2.gz HMSRLNJTHYPXEB-LDYMZIIASA-N 1 0 281.287 1.543 20 5 CDBDRO C[NH2+][C@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000566473947 357818214 /nfs/dbraw/zinc/81/82/14/357818214.db2.gz MUYGWUQKTRHRQF-SECBINFHSA-N 1 0 263.297 1.087 20 5 CDBDRO CC[C@]1(CO)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000187589665 357783780 /nfs/dbraw/zinc/78/37/80/357783780.db2.gz CHRZCUXAHYTXFZ-ZDUSSCGKSA-N 1 0 282.344 1.276 20 5 CDBDRO CN(C)[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])c1ccco1 ZINC000294343496 199005520 /nfs/dbraw/zinc/00/55/20/199005520.db2.gz LIVLAWMLKXZZAM-NSHDSACASA-N 1 0 297.355 1.834 20 5 CDBDRO CC(C)C[C@@H]1C(=O)NCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000189821529 358041590 /nfs/dbraw/zinc/04/15/90/358041590.db2.gz OZPROVIGOSBYQY-CQSZACIVSA-N 1 0 291.351 1.941 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@@H]1CC[NH2+]1 ZINC001579642775 1172232138 /nfs/dbraw/zinc/23/21/38/1172232138.db2.gz VMKOPRMJLKFSOH-JTQLQIEISA-N 1 0 263.297 1.337 20 5 CDBDRO COC(=O)c1cc(NC(=O)[C@H](C)[C@@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000192005157 358167882 /nfs/dbraw/zinc/16/78/82/358167882.db2.gz WBIHWASALJLFQB-HTQZYQBOSA-N 1 0 295.295 1.303 20 5 CDBDRO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)CCS1 ZINC000192181258 358179893 /nfs/dbraw/zinc/17/98/93/358179893.db2.gz SJECEBLKWGEHSF-JTQLQIEISA-N 1 0 270.358 1.619 20 5 CDBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(c1cc(N)ccc1[N+](=O)[O-])C2 ZINC000192796906 358236434 /nfs/dbraw/zinc/23/64/34/358236434.db2.gz YJDJOHOIPQHWPB-NWDGAFQWSA-N 1 0 276.340 1.850 20 5 CDBDRO Cc1ccc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000193680913 358315560 /nfs/dbraw/zinc/31/55/60/358315560.db2.gz URADRWWIXUUVEZ-GXFFZTMASA-N 1 0 277.324 1.517 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](CC2CC2)C2CCC2)c1 ZINC000361570983 358325469 /nfs/dbraw/zinc/32/54/69/358325469.db2.gz GVUMFLWGELZXNI-CQSZACIVSA-N 1 0 294.355 1.417 20 5 CDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@@H](O)C1 ZINC000294890332 199234023 /nfs/dbraw/zinc/23/40/23/199234023.db2.gz QTWZGSNZTPCUPY-XHVZSJERSA-N 1 0 293.323 1.425 20 5 CDBDRO O=[N+]([O-])c1c[nH]c(-c2csc(NC3CC[NH2+]CC3)n2)c1 ZINC000567276457 358652639 /nfs/dbraw/zinc/65/26/39/358652639.db2.gz JNOUVEWKGSLMEK-UHFFFAOYSA-N 1 0 293.352 1.632 20 5 CDBDRO COCC[C@@H](CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000341572230 358660955 /nfs/dbraw/zinc/66/09/55/358660955.db2.gz XKRNDTCRDJBEAN-AGLBCWCQSA-N 1 0 280.324 1.595 20 5 CDBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)Cn1cccn1 ZINC000051383743 358693934 /nfs/dbraw/zinc/69/39/34/358693934.db2.gz CRKDVYPMBYWQEK-ZDUSSCGKSA-N 1 0 290.323 1.284 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000566071087 366473670 /nfs/dbraw/zinc/47/36/70/366473670.db2.gz GMJRCZMDBDSTQR-MWLCHTKSSA-N 1 0 290.323 1.001 20 5 CDBDRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000219037252 359021096 /nfs/dbraw/zinc/02/10/96/359021096.db2.gz WHYOKEJWBPGPBJ-CBAPKCEASA-N 1 0 276.383 1.858 20 5 CDBDRO Cc1nn(C)c(N2CC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000072089531 359030299 /nfs/dbraw/zinc/03/02/99/359030299.db2.gz LEADBCFKAJRZHP-NSHDSACASA-N 1 0 279.344 1.311 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000450690249 358981654 /nfs/dbraw/zinc/98/16/54/358981654.db2.gz VHNIEPSHUVLNSO-SUZMYJTESA-N 1 0 266.297 1.659 20 5 CDBDRO COc1cc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000159424114 359108086 /nfs/dbraw/zinc/10/80/86/359108086.db2.gz CHTVNTGVCDIDDF-UWVGGRQHSA-N 1 0 293.323 1.413 20 5 CDBDRO CC(=O)NCC[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000569807886 359263529 /nfs/dbraw/zinc/26/35/29/359263529.db2.gz FENFLHDJIHRTKE-UHFFFAOYSA-N 1 0 281.312 1.042 20 5 CDBDRO CCCC[C@H]([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015968 359275702 /nfs/dbraw/zinc/27/57/02/359275702.db2.gz DETVVRVXVRYKQD-NSHDSACASA-N 1 0 265.313 1.729 20 5 CDBDRO [NH3+]C[C@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000050246028 359407244 /nfs/dbraw/zinc/40/72/44/359407244.db2.gz FWESHUFKRBLDFB-MVIFTORASA-N 1 0 275.308 1.415 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000050394675 359440253 /nfs/dbraw/zinc/44/02/53/359440253.db2.gz XALOKMJUUDCNCG-BXKDBHETSA-N 1 0 263.297 1.524 20 5 CDBDRO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000159457162 359480009 /nfs/dbraw/zinc/48/00/09/359480009.db2.gz LFYIAAIWSLTZDK-RISCZKNCSA-N 1 0 264.325 1.840 20 5 CDBDRO Cn1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])n1 ZINC000289376861 359545824 /nfs/dbraw/zinc/54/58/24/359545824.db2.gz BJUDDJAPVPEIHH-UHFFFAOYSA-N 1 0 275.312 1.294 20 5 CDBDRO COc1ccc(C[N@@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000050113666 359571915 /nfs/dbraw/zinc/57/19/15/359571915.db2.gz YJRQQWKBVWSANO-NSHDSACASA-N 1 0 266.297 1.560 20 5 CDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000061014378 359771579 /nfs/dbraw/zinc/77/15/79/359771579.db2.gz UZGIIZDJNSFTIC-UHFFFAOYSA-N 1 0 263.297 1.211 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000089107518 283504382 /nfs/dbraw/zinc/50/43/82/283504382.db2.gz BSSXGHPKBQWTKB-BXKDBHETSA-N 1 0 295.314 1.981 20 5 CDBDRO [NH3+]C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000087383714 360138212 /nfs/dbraw/zinc/13/82/12/360138212.db2.gz DOCGTOHSLOAKLU-ZETCQYMHSA-N 1 0 255.299 1.123 20 5 CDBDRO CC[C@@H](CSC)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000091099742 360229262 /nfs/dbraw/zinc/22/92/62/360229262.db2.gz ZLHZXNWCSHWRDJ-NSHDSACASA-N 1 0 299.396 1.830 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000382408668 360292888 /nfs/dbraw/zinc/29/28/88/360292888.db2.gz CKLLNEOOMYOSOT-ZJUUUORDSA-N 1 0 250.302 1.980 20 5 CDBDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000177437743 189051038 /nfs/dbraw/zinc/05/10/38/189051038.db2.gz RKCKRPFKKNUIOR-CQSZACIVSA-N 1 0 278.308 1.980 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[NH2+]C1 ZINC000238067532 360717272 /nfs/dbraw/zinc/71/72/72/360717272.db2.gz SIQHJQDKAOHHQR-LBPRGKRZSA-N 1 0 277.324 1.396 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000047226731 360804002 /nfs/dbraw/zinc/80/40/02/360804002.db2.gz GSUWEFSKUVXFQK-GXTWGEPZSA-N 1 0 289.335 1.951 20 5 CDBDRO COc1cc(C(=O)N(C)[C@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000179193271 189176668 /nfs/dbraw/zinc/17/66/68/189176668.db2.gz RSFPEQICQJQXPE-MRVPVSSYSA-N 1 0 267.285 1.023 20 5 CDBDRO Cc1c([C@@H](C)[NH2+]CCCOCCO)cccc1[N+](=O)[O-] ZINC000180244559 189246369 /nfs/dbraw/zinc/24/63/69/189246369.db2.gz RPKRNDYAIRGXTD-GFCCVEGCSA-N 1 0 282.340 1.953 20 5 CDBDRO C[C@@H](O)C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000131334092 361074263 /nfs/dbraw/zinc/07/42/63/361074263.db2.gz BBUXORFCEGFEIU-SNVBAGLBSA-N 1 0 254.286 1.286 20 5 CDBDRO CCOC[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000383922529 361188963 /nfs/dbraw/zinc/18/89/63/361188963.db2.gz SJOHXRUEPIWXDW-LBPRGKRZSA-N 1 0 284.312 1.090 20 5 CDBDRO O=C(NCCC[NH2+]C1CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000036263904 361375667 /nfs/dbraw/zinc/37/56/67/361375667.db2.gz WIPWOELEMIDGIV-UHFFFAOYSA-N 1 0 278.312 1.858 20 5 CDBDRO COc1cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000301662803 201122779 /nfs/dbraw/zinc/12/27/79/201122779.db2.gz NDVCAODWRARUCU-OCCSQVGLSA-N 1 0 293.323 1.123 20 5 CDBDRO CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1NC)[NH+](C)C ZINC000519609076 361427981 /nfs/dbraw/zinc/42/79/81/361427981.db2.gz SNEHQIYUIDQKBA-LBPRGKRZSA-N 1 0 280.328 1.915 20 5 CDBDRO COc1cc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000186729827 189448753 /nfs/dbraw/zinc/44/87/53/189448753.db2.gz LRZNOWXDZMKTJY-KOLCDFICSA-N 1 0 293.323 1.331 20 5 CDBDRO Cc1sc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000186767642 189450371 /nfs/dbraw/zinc/45/03/71/189450371.db2.gz OMYIMEYRIOAZNP-VXNVDRBHSA-N 1 0 283.353 1.693 20 5 CDBDRO Cc1c(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000580692143 363938810 /nfs/dbraw/zinc/93/88/10/363938810.db2.gz YJUIJZJTYUICTK-JSGCOSHPSA-N 1 0 280.324 1.078 20 5 CDBDRO [NH3+]CCCCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000581667425 364016438 /nfs/dbraw/zinc/01/64/38/364016438.db2.gz SLOGUQGTUNWDQF-UHFFFAOYSA-N 1 0 263.297 1.613 20 5 CDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000345816315 364023359 /nfs/dbraw/zinc/02/33/59/364023359.db2.gz LFINIIAJXVJUKR-QWHCGFSZSA-N 1 0 291.351 1.908 20 5 CDBDRO CC(C)[NH2+]CCCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000573367302 364027687 /nfs/dbraw/zinc/02/76/87/364027687.db2.gz RIPKLLFZHYIKFW-UHFFFAOYSA-N 1 0 279.340 1.642 20 5 CDBDRO Cc1nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000582527513 364141010 /nfs/dbraw/zinc/14/10/10/364141010.db2.gz BWMBEOOBFXOPNO-PSASIEDQSA-N 1 0 265.317 1.588 20 5 CDBDRO C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174835292 364582094 /nfs/dbraw/zinc/58/20/94/364582094.db2.gz AZGYBMANKVIHBJ-NSHDSACASA-N 1 0 252.318 1.913 20 5 CDBDRO NC(=O)C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000175202081 364644432 /nfs/dbraw/zinc/64/44/32/364644432.db2.gz PPUXXZBFTOQRKT-GFCCVEGCSA-N 1 0 277.324 1.682 20 5 CDBDRO Cc1nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000268518605 364795882 /nfs/dbraw/zinc/79/58/82/364795882.db2.gz UQLBNQSNHUDPFT-NEPJUHHUSA-N 1 0 276.340 1.971 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[NH2+]C2)c1 ZINC000133621150 364910418 /nfs/dbraw/zinc/91/04/18/364910418.db2.gz DFXHGYZRUDYDML-JTQLQIEISA-N 1 0 263.297 1.243 20 5 CDBDRO CCN(C)C(=O)[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000231851900 364981884 /nfs/dbraw/zinc/98/18/84/364981884.db2.gz IEPHLEQADHGRRP-NSHDSACASA-N 1 0 279.340 1.594 20 5 CDBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000457052535 365344588 /nfs/dbraw/zinc/34/45/88/365344588.db2.gz ANFPADUDYNSPGH-UHFFFAOYSA-N 1 0 281.312 1.792 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000275814924 193136447 /nfs/dbraw/zinc/13/64/47/193136447.db2.gz DSXXOYREYULTCW-UHFFFAOYSA-N 1 0 277.324 1.809 20 5 CDBDRO C[N@@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000270928313 366945921 /nfs/dbraw/zinc/94/59/21/366945921.db2.gz PJRAUHATVRALKC-UHFFFAOYSA-N 1 0 291.351 1.690 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000414191094 241107863 /nfs/dbraw/zinc/10/78/63/241107863.db2.gz URTMBMAFCNCQID-SCDSUCTJSA-N 1 0 280.324 1.968 20 5 CDBDRO CC(C)(C(=O)N1CCC[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000269110127 367049515 /nfs/dbraw/zinc/04/95/15/367049515.db2.gz ICXOTRAFLHCCNZ-LBPRGKRZSA-N 1 0 291.351 1.822 20 5 CDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CC[NH2+]C2)c1 ZINC000414893840 241443846 /nfs/dbraw/zinc/44/38/46/241443846.db2.gz ZPOFSQDDHHEIGU-SECBINFHSA-N 1 0 287.266 1.648 20 5 CDBDRO C[NH+](C)CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272181662 367275179 /nfs/dbraw/zinc/27/51/79/367275179.db2.gz ILJCNAUXIVRMHC-UHFFFAOYSA-N 1 0 285.731 1.469 20 5 CDBDRO CCN(Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCNC1=O ZINC000440969563 367338532 /nfs/dbraw/zinc/33/85/32/367338532.db2.gz YCOITKCWHLCPHA-LBPRGKRZSA-N 1 0 293.323 1.314 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000272198846 367310862 /nfs/dbraw/zinc/31/08/62/367310862.db2.gz GFZZZVRMWXSUNR-JGVFFNPUSA-N 1 0 296.302 1.125 20 5 CDBDRO C[C@@H](NC(=O)N[C@@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000417140134 242334693 /nfs/dbraw/zinc/33/46/93/242334693.db2.gz PMGXEGGAZDYUEE-RNCFNFMXSA-N 1 0 292.339 1.692 20 5 CDBDRO Cc1c(CNC(=O)[C@H](C)[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000383027854 368546611 /nfs/dbraw/zinc/54/66/11/368546611.db2.gz IATCYAKPYVPGHP-JTQLQIEISA-N 1 0 277.324 1.660 20 5 CDBDRO C[NH2+]CCCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000420142668 243884606 /nfs/dbraw/zinc/88/46/06/243884606.db2.gz VLEWPFKFMYSCRQ-UHFFFAOYSA-N 1 0 287.341 1.020 20 5 CDBDRO CC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000330655389 203084029 /nfs/dbraw/zinc/08/40/29/203084029.db2.gz MOEXKHBFABRXQD-UHFFFAOYSA-N 1 0 280.328 1.147 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000420277682 244013258 /nfs/dbraw/zinc/01/32/58/244013258.db2.gz IRQPADAXGXTLTJ-GHMZBOCLSA-N 1 0 264.329 1.650 20 5 CDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000330680260 203111258 /nfs/dbraw/zinc/11/12/58/203111258.db2.gz FLMYLMUTRHQVSU-JTQLQIEISA-N 1 0 281.312 1.792 20 5 CDBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330755481 203192920 /nfs/dbraw/zinc/19/29/20/203192920.db2.gz KAWJEFRHEVSEOY-NSHDSACASA-N 1 0 294.355 1.917 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCSC[C@H]2CO)cc1 ZINC000330812455 203265280 /nfs/dbraw/zinc/26/52/80/203265280.db2.gz CCPCNEJVMKJQFZ-CYBMUJFWSA-N 1 0 282.365 1.547 20 5 CDBDRO COCC[NH2+]CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000414891884 369308273 /nfs/dbraw/zinc/30/82/73/369308273.db2.gz WLMZQYCVXULYGD-UHFFFAOYSA-N 1 0 267.329 1.229 20 5 CDBDRO Cc1c([C@H](C)NC[C@@]2(O)CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000330874878 203339619 /nfs/dbraw/zinc/33/96/19/203339619.db2.gz ISLVUCBVCVTNIP-WFASDCNBSA-N 1 0 293.367 1.620 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000422013685 244935787 /nfs/dbraw/zinc/93/57/87/244935787.db2.gz DBOOWUKYHRGIPS-SECBINFHSA-N 1 0 266.301 1.089 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3CCOC3)C2)nc1 ZINC000331422507 203829623 /nfs/dbraw/zinc/82/96/23/203829623.db2.gz LCGKAYOYEWLTFN-NWDGAFQWSA-N 1 0 292.339 1.513 20 5 CDBDRO [NH3+][C@@H](CNC/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000414892497 371033283 /nfs/dbraw/zinc/03/32/83/371033283.db2.gz JFXZOUAKDKYQLN-LQPUYASZSA-N 1 0 261.325 1.935 20 5 CDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000367890554 371116348 /nfs/dbraw/zinc/11/63/48/371116348.db2.gz GYDUYLAWZXYSST-STQMWFEESA-N 1 0 293.371 1.350 20 5 CDBDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000188483520 376205299 /nfs/dbraw/zinc/20/52/99/376205299.db2.gz DXPOMJFTDPCUDY-JTQLQIEISA-N 1 0 265.313 1.551 20 5 CDBDRO Cc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)on1 ZINC000331998232 204375140 /nfs/dbraw/zinc/37/51/40/204375140.db2.gz ZDMVFKWSPWKVGR-UHFFFAOYSA-N 1 0 291.311 1.925 20 5 CDBDRO CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1[C@H]1CCCO1 ZINC000368073291 371506908 /nfs/dbraw/zinc/50/69/08/371506908.db2.gz KZUAHTBWFLRMDF-YPMHNXCESA-N 1 0 294.355 1.681 20 5 CDBDRO CC[C@@H](C)[NH+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000295989338 371553604 /nfs/dbraw/zinc/55/36/04/371553604.db2.gz LVMWCUDQGOIHNN-SNVBAGLBSA-N 1 0 279.344 1.614 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000238030182 189898179 /nfs/dbraw/zinc/89/81/79/189898179.db2.gz SJAPAYVVZBADMC-GXFFZTMASA-N 1 0 293.323 1.217 20 5 CDBDRO C[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269624420 373188968 /nfs/dbraw/zinc/18/89/68/373188968.db2.gz CGRJCBOOAKEBSG-GWCFXTLKSA-N 1 0 250.298 1.970 20 5 CDBDRO CC[N@H+](CCCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269667589 373536295 /nfs/dbraw/zinc/53/62/95/373536295.db2.gz SYHQPRZHTIWVTP-ZDUSSCGKSA-N 1 0 268.313 1.333 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCSCC2)c1 ZINC000269697514 373866439 /nfs/dbraw/zinc/86/64/39/373866439.db2.gz XEPUSHKKNXVLMA-GFCCVEGCSA-N 1 0 268.338 1.677 20 5 CDBDRO C[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000298725378 374082108 /nfs/dbraw/zinc/08/21/08/374082108.db2.gz MMYDMEZHHSLMSL-VHSXEESVSA-N 1 0 294.359 1.499 20 5 CDBDRO CC(C)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000298877572 374248249 /nfs/dbraw/zinc/24/82/49/374248249.db2.gz MOCZSHGFAFUUBB-UHFFFAOYSA-N 1 0 280.328 1.526 20 5 CDBDRO Cc1cc(N[C@H]2CC[NH2+]C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420136316 374287563 /nfs/dbraw/zinc/28/75/63/374287563.db2.gz JCGIFPLYQZEAKQ-LBPRGKRZSA-N 1 0 299.334 1.556 20 5 CDBDRO C[N@@H+]1CCCC12CCN(CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000370651788 374396743 /nfs/dbraw/zinc/39/67/43/374396743.db2.gz RWEODNMXRIJEGF-UHFFFAOYSA-N 1 0 293.371 1.352 20 5 CDBDRO CC(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000370386599 374391584 /nfs/dbraw/zinc/39/15/84/374391584.db2.gz IVCABRLYLDITEP-CHWSQXEVSA-N 1 0 294.351 1.646 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000347178340 374414218 /nfs/dbraw/zinc/41/42/18/374414218.db2.gz SOGOXUSEDZJHDF-FHMRSRPSSA-N 1 0 261.325 1.889 20 5 CDBDRO CCC[C@@]1(CO)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000377544455 374606779 /nfs/dbraw/zinc/60/67/79/374606779.db2.gz PWWRFFRPLFEUCP-CYBMUJFWSA-N 1 0 282.344 1.276 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)[C@H]2CCCO2)cc1 ZINC000447913690 374721430 /nfs/dbraw/zinc/72/14/30/374721430.db2.gz JMHQOOHQVQHNQV-CHWSQXEVSA-N 1 0 266.297 1.224 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000447903776 374721985 /nfs/dbraw/zinc/72/19/85/374721985.db2.gz IIGRBFNIIPBYEB-DGCLKSJQSA-N 1 0 266.297 1.224 20 5 CDBDRO COC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000278168372 374832395 /nfs/dbraw/zinc/83/23/95/374832395.db2.gz FJPPZXKQNBPKDF-JTQLQIEISA-N 1 0 295.295 1.971 20 5 CDBDRO CCN1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1=O ZINC000449518943 374816171 /nfs/dbraw/zinc/81/61/71/374816171.db2.gz OZOUPXYVFOQHAD-SCXUMTSISA-N 1 0 289.335 1.818 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCCC[N@@H+]2C2CC2)nc1 ZINC000277336376 374782519 /nfs/dbraw/zinc/78/25/19/374782519.db2.gz FEMSIHQNCHGFJO-NSHDSACASA-N 1 0 277.328 1.814 20 5 CDBDRO C[C@@]1(C(N)=O)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000280226818 374988645 /nfs/dbraw/zinc/98/86/45/374988645.db2.gz JMJGYAJPGSLWNG-CSPWOOARSA-N 1 0 289.335 1.805 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CC=CCC1 ZINC000280355017 374993237 /nfs/dbraw/zinc/99/32/37/374993237.db2.gz XMWVWGIIBFQGJC-UHFFFAOYSA-N 1 0 290.323 1.169 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000125342184 374996601 /nfs/dbraw/zinc/99/66/01/374996601.db2.gz BSNAVDTYGMAOFZ-SUHUHFCYSA-N 1 0 262.309 1.798 20 5 CDBDRO CC1=C(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000280774426 375022484 /nfs/dbraw/zinc/02/24/84/375022484.db2.gz PMQQBMITCLJHHZ-UHFFFAOYSA-N 1 0 250.302 1.833 20 5 CDBDRO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000299611439 375185213 /nfs/dbraw/zinc/18/52/13/375185213.db2.gz YYCBYRWHMSSZNM-GXFFZTMASA-N 1 0 277.324 1.866 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)C2CC2)c(F)c1 ZINC000336790326 375290355 /nfs/dbraw/zinc/29/03/55/375290355.db2.gz LCHPGCUVRHSHNX-LBPRGKRZSA-N 1 0 254.261 1.594 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000131688880 375315225 /nfs/dbraw/zinc/31/52/25/375315225.db2.gz UKJFXSGJEIWIOB-GFCCVEGCSA-N 1 0 276.340 1.912 20 5 CDBDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000304528133 375459294 /nfs/dbraw/zinc/45/92/94/375459294.db2.gz MHZRCSYGCSFBCV-JQWIXIFHSA-N 1 0 268.317 1.027 20 5 CDBDRO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000304528312 375459968 /nfs/dbraw/zinc/45/99/68/375459968.db2.gz MHZRCSYGCSFBCV-PWSUYJOCSA-N 1 0 268.317 1.027 20 5 CDBDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000352798874 375541051 /nfs/dbraw/zinc/54/10/51/375541051.db2.gz DTJBZJREJKCYPG-GZMMTYOYSA-N 1 0 295.364 1.535 20 5 CDBDRO O=C(NCC[NH2+]C1CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000132639324 375548858 /nfs/dbraw/zinc/54/88/58/375548858.db2.gz CRTQNLPRLQZFRV-UHFFFAOYSA-N 1 0 283.715 1.730 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000132720562 375578195 /nfs/dbraw/zinc/57/81/95/375578195.db2.gz GMVMPJPZOZDRSI-DTORHVGOSA-N 1 0 281.287 1.556 20 5 CDBDRO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])[nH]1)[NH+]1CCCCC1 ZINC000344941035 375667215 /nfs/dbraw/zinc/66/72/15/375667215.db2.gz KDPZIUJUPIAZEO-LLVKDONJSA-N 1 0 294.355 1.917 20 5 CDBDRO CC[C@@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000294158029 375720433 /nfs/dbraw/zinc/72/04/33/375720433.db2.gz QNHAZIJPFDKICL-JTQLQIEISA-N 1 0 256.277 1.937 20 5 CDBDRO CS(=O)(=O)c1ccc(NC[C@@H]([NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000133172278 375706157 /nfs/dbraw/zinc/70/61/57/375706157.db2.gz QOFFZJXCRPWTKK-SNVBAGLBSA-N 1 0 299.352 1.148 20 5 CDBDRO COC[C@H](CCO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000228349465 375748983 /nfs/dbraw/zinc/74/89/83/375748983.db2.gz UTBXERFGGUGFFO-LBPRGKRZSA-N 1 0 268.313 1.124 20 5 CDBDRO [NH3+]CC[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(F)(F)F ZINC000307824110 375803096 /nfs/dbraw/zinc/80/30/96/375803096.db2.gz RXGAIDQEWHMTTC-LURJTMIESA-N 1 0 297.258 1.666 20 5 CDBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCCCC1 ZINC000261586350 190041064 /nfs/dbraw/zinc/04/10/64/190041064.db2.gz IVEDZJRNBORYHY-UHFFFAOYSA-N 1 0 266.301 1.314 20 5 CDBDRO Cc1cc(NC[C@@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC000134273787 375948291 /nfs/dbraw/zinc/94/82/91/375948291.db2.gz UHPHNNGEDSCHBN-NSHDSACASA-N 1 0 251.286 1.304 20 5 CDBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000262009424 190046981 /nfs/dbraw/zinc/04/69/81/190046981.db2.gz SRWVOSKRDDIVEU-CQSZACIVSA-N 1 0 294.355 1.670 20 5 CDBDRO C[C@@](C[NH3+])(NC(=O)c1cc([N+](=O)[O-])ccc1N)C1CC1 ZINC000262259242 190051673 /nfs/dbraw/zinc/05/16/73/190051673.db2.gz UEHMWMCQOPXQFJ-ZDUSSCGKSA-N 1 0 278.312 1.034 20 5 CDBDRO [NH3+][C@@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000430594019 247660129 /nfs/dbraw/zinc/66/01/29/247660129.db2.gz QIOUHCKWXKZNKT-SECBINFHSA-N 1 0 298.730 1.220 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000171202407 376426481 /nfs/dbraw/zinc/42/64/81/376426481.db2.gz TZWMDQZJHTUZJE-UHFFFAOYSA-N 1 0 294.355 1.734 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000263865774 190082709 /nfs/dbraw/zinc/08/27/09/190082709.db2.gz BTFKVYWLRJNOEL-VIFPVBQESA-N 1 0 268.317 1.383 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H](C)[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000264263029 190100385 /nfs/dbraw/zinc/10/03/85/190100385.db2.gz UJYPVRRGGMBGIH-SECBINFHSA-N 1 0 280.328 1.165 20 5 CDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000264448707 190110468 /nfs/dbraw/zinc/11/04/68/190110468.db2.gz SECSXGIDTULBFF-QWHCGFSZSA-N 1 0 296.323 1.055 20 5 CDBDRO O=C1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)N1 ZINC000433195599 248006653 /nfs/dbraw/zinc/00/66/53/248006653.db2.gz WTEAEQFWCMVTRF-SNVBAGLBSA-N 1 0 281.287 1.492 20 5 CDBDRO CNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000025932702 378566943 /nfs/dbraw/zinc/56/69/43/378566943.db2.gz JOPUTODJGLGCAC-UHFFFAOYSA-N 1 0 277.324 1.553 20 5 CDBDRO O=C(Nc1cccc2c1C[NH2+]C2)c1n[nH]cc1[N+](=O)[O-] ZINC001580780120 1172538397 /nfs/dbraw/zinc/53/83/97/1172538397.db2.gz JOBYOBIAXPQJPI-UHFFFAOYSA-N 1 0 273.252 1.173 20 5 CDBDRO CC[NH+](CC)C[C@H](C)Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341776840 284726689 /nfs/dbraw/zinc/72/66/89/284726689.db2.gz NLRFSHIRPOPCAO-JTQLQIEISA-N 1 0 294.355 1.836 20 5 CDBDRO CO[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000443206066 250014722 /nfs/dbraw/zinc/01/47/22/250014722.db2.gz VSOMYUSYDADJPY-WDEREUQCSA-N 1 0 295.339 1.936 20 5 CDBDRO CC[C@H](COC)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278736338 194129680 /nfs/dbraw/zinc/12/96/80/194129680.db2.gz QYSXDJSWFSLDHW-SECBINFHSA-N 1 0 278.312 1.986 20 5 CDBDRO CC[C@H](C)C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266534667 190264975 /nfs/dbraw/zinc/26/49/75/190264975.db2.gz NRYAYJNGYCDQOD-CMPLNLGQSA-N 1 0 270.333 1.130 20 5 CDBDRO C[N@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000344231198 379341616 /nfs/dbraw/zinc/34/16/16/379341616.db2.gz YORMIEUDYMPJBR-UHFFFAOYSA-N 1 0 281.287 1.558 20 5 CDBDRO C[C@@H]1C[C@@H](C)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267069862 190301327 /nfs/dbraw/zinc/30/13/27/190301327.db2.gz KPQDLXFTDFZRSG-WDEREUQCSA-N 1 0 252.318 1.912 20 5 CDBDRO CC[N@H+](CCO)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000267879172 190360486 /nfs/dbraw/zinc/36/04/86/190360486.db2.gz NWGOZCKGZJFAPG-JTQLQIEISA-N 1 0 281.312 1.236 20 5 CDBDRO C[C@@H]1C[C@H](Nc2c([N+](=O)[O-])ncn2C)C[N@@H+]1C1CC1 ZINC000267895292 190361412 /nfs/dbraw/zinc/36/14/12/190361412.db2.gz UBSKSFKWZMUUAR-BDAKNGLRSA-N 1 0 265.317 1.365 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)CC[NH+](C)C ZINC000288553101 197110565 /nfs/dbraw/zinc/11/05/65/197110565.db2.gz VTLORMXGQVTURG-UHFFFAOYSA-N 1 0 295.339 1.688 20 5 CDBDRO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551346 251751032 /nfs/dbraw/zinc/75/10/32/251751032.db2.gz UKTFPVSGVHPRQU-CMPLNLGQSA-N 1 0 277.324 1.648 20 5 CDBDRO C[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000280200403 194745427 /nfs/dbraw/zinc/74/54/27/194745427.db2.gz BKHZFDLLGLVOAX-YUTCNCBUSA-N 1 0 294.351 1.890 20 5 CDBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1c([N+](=O)[O-])ncn1C ZINC000505577207 254090246 /nfs/dbraw/zinc/09/02/46/254090246.db2.gz RUJAWBKOBFOEOO-MNOVXSKESA-N 1 0 281.360 1.861 20 5 CDBDRO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCO ZINC000505881726 254095214 /nfs/dbraw/zinc/09/52/14/254095214.db2.gz RCKDYJFYOSSGLY-ALCCZGGFSA-N 1 0 250.298 1.922 20 5 CDBDRO CC[N@@H+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286208321 390193253 /nfs/dbraw/zinc/19/32/53/390193253.db2.gz CFIBSUMZAGXYKV-JTQLQIEISA-N 1 0 292.339 1.224 20 5 CDBDRO CC[C@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000282369168 195589457 /nfs/dbraw/zinc/58/94/57/195589457.db2.gz BXYAKBQXMAIFBY-CQSZACIVSA-N 1 0 293.367 1.936 20 5 CDBDRO CC(C)[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000106910444 390562139 /nfs/dbraw/zinc/56/21/39/390562139.db2.gz RKRIEQIJSMHKCM-AWEZNQCLSA-N 1 0 293.367 1.840 20 5 CDBDRO CC(C)c1ccc(C[NH2+][C@@H]2COC[C@H]2O)cc1[N+](=O)[O-] ZINC000451227758 390606199 /nfs/dbraw/zinc/60/61/99/390606199.db2.gz GBBHGDHLPWBNKQ-TZMCWYRMSA-N 1 0 280.324 1.568 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000158680731 390815753 /nfs/dbraw/zinc/81/57/53/390815753.db2.gz UGCLHGDHCKRMPS-OCCSQVGLSA-N 1 0 293.371 1.207 20 5 CDBDRO Cc1ccc(C(=O)N2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000044542051 390920501 /nfs/dbraw/zinc/92/05/01/390920501.db2.gz AZJQCFSBGBOHLD-LBPRGKRZSA-N 1 0 277.324 1.857 20 5 CDBDRO COC[C@@](C)(O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000517173218 390968587 /nfs/dbraw/zinc/96/85/87/390968587.db2.gz RUKNARDETJHNAQ-JSGCOSHPSA-N 1 0 280.324 1.569 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417938186 533575795 /nfs/dbraw/zinc/57/57/95/533575795.db2.gz JALIZGMXPNYODM-JTQLQIEISA-N 1 0 280.328 1.174 20 5 CDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@](C)(O)C1 ZINC000248356618 391193814 /nfs/dbraw/zinc/19/38/14/391193814.db2.gz ONLGXJJAWYSRDI-YGRLFVJLSA-N 1 0 293.323 1.379 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366130733 391341908 /nfs/dbraw/zinc/34/19/08/391341908.db2.gz AFMIYWZFGLTHLF-AWEZNQCLSA-N 1 0 276.340 1.830 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186687415 391354365 /nfs/dbraw/zinc/35/43/65/391354365.db2.gz QINARFFJUWVIOM-SKDRFNHKSA-N 1 0 263.297 1.323 20 5 CDBDRO CN(C)C(=O)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292050572 391371236 /nfs/dbraw/zinc/37/12/36/391371236.db2.gz BOCOJXKALWCTJZ-UHFFFAOYSA-N 1 0 279.340 1.898 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415630861 391470069 /nfs/dbraw/zinc/47/00/69/391470069.db2.gz LQOWIKXHPYJICC-BDAKNGLRSA-N 1 0 296.302 1.935 20 5 CDBDRO C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000449546844 391583674 /nfs/dbraw/zinc/58/36/74/391583674.db2.gz WPYZZMUCCOLXFZ-BETUJISGSA-N 1 0 293.367 1.482 20 5 CDBDRO CCN(CCO)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449253040 391673537 /nfs/dbraw/zinc/67/35/37/391673537.db2.gz WTLQRXPCJBXSOI-CYBMUJFWSA-N 1 0 295.383 1.430 20 5 CDBDRO C[C@@H]([NH2+]C[C@H](C)CO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293589896 391695136 /nfs/dbraw/zinc/69/51/36/391695136.db2.gz FIYCTQMUXLLGRZ-DTWKUNHWSA-N 1 0 253.302 1.456 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)[NH2+]1 ZINC000109066711 391783267 /nfs/dbraw/zinc/78/32/67/391783267.db2.gz ZBIIFLBZIOFIKK-NXEZZACHSA-N 1 0 263.297 1.417 20 5 CDBDRO CN(CC(=O)N(C)CC1CC1)Cc1ccccc1[N+](=O)[O-] ZINC000194175177 392143067 /nfs/dbraw/zinc/14/30/67/392143067.db2.gz GEIXPYQQIOTMFM-UHFFFAOYSA-N 1 0 291.351 1.895 20 5 CDBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000419376927 392891202 /nfs/dbraw/zinc/89/12/02/392891202.db2.gz UKYVUVUVUXFDJJ-GRYCIOLGSA-N 1 0 279.340 1.733 20 5 CDBDRO COCC[NH2+]CCNc1cc(OC)ccc1[N+](=O)[O-] ZINC000215520907 140162310 /nfs/dbraw/zinc/16/23/10/140162310.db2.gz QXYWPLQRBAIOMM-UHFFFAOYSA-N 1 0 269.301 1.251 20 5 CDBDRO CCCC[C@@H](C[NH3+])Nc1ncc([N+](=O)[O-])c(C)n1 ZINC000420198422 392904028 /nfs/dbraw/zinc/90/40/28/392904028.db2.gz CKUWLNGBUHUDQJ-VIFPVBQESA-N 1 0 253.306 1.623 20 5 CDBDRO [NH3+]C1(CNc2ncnc3cccc([N+](=O)[O-])c32)CCC1 ZINC000420224984 392906462 /nfs/dbraw/zinc/90/64/62/392906462.db2.gz CDSSXPRJHSDCDS-UHFFFAOYSA-N 1 0 273.296 1.253 20 5 CDBDRO C[C@@H](C[NH3+])CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000420223027 392907004 /nfs/dbraw/zinc/90/70/04/392907004.db2.gz ZFOQFWKSCWYHMR-QMMMGPOBSA-N 1 0 287.341 1.005 20 5 CDBDRO COC(=O)Cc1ccc(NCCCC[NH3+])c([N+](=O)[O-])c1 ZINC000420233510 392910422 /nfs/dbraw/zinc/91/04/22/392910422.db2.gz MRRBPGGSDJSWCK-UHFFFAOYSA-N 1 0 281.312 1.461 20 5 CDBDRO C[NH2+]CCCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417858084 392874643 /nfs/dbraw/zinc/87/46/43/392874643.db2.gz URDZXCMORSCKDQ-NSHDSACASA-N 1 0 294.355 1.873 20 5 CDBDRO Cc1c(CN[C@@H]2C[NH2+]CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000423079920 392958445 /nfs/dbraw/zinc/95/84/45/392958445.db2.gz RMQTUQGPEBUTTO-GXFFZTMASA-N 1 0 263.341 1.991 20 5 CDBDRO C[C@@H]1CC[C@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000429577628 393083377 /nfs/dbraw/zinc/08/33/77/393083377.db2.gz GICFPEYMBWNJFB-MDZLAQPJSA-N 1 0 282.344 1.273 20 5 CDBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000429793166 393087282 /nfs/dbraw/zinc/08/72/82/393087282.db2.gz VHUKCJQMKUIVGC-NWDGAFQWSA-N 1 0 295.387 1.490 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)[C@H]1CO ZINC000430195096 393090656 /nfs/dbraw/zinc/09/06/56/393090656.db2.gz MYGFTZUEEIVOST-GXFFZTMASA-N 1 0 280.324 1.806 20 5 CDBDRO CC[C@@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000118752718 393112004 /nfs/dbraw/zinc/11/20/04/393112004.db2.gz JIIBTBVXQOKSTF-GFCCVEGCSA-N 1 0 279.340 1.488 20 5 CDBDRO C[C@@H](CC(N)=O)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449184377 393132074 /nfs/dbraw/zinc/13/20/74/393132074.db2.gz HNUBECPEQUBIAO-UWVGGRQHSA-N 1 0 265.313 1.379 20 5 CDBDRO COC[C@@H](O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449157586 393132320 /nfs/dbraw/zinc/13/23/20/393132320.db2.gz QQDNVFVLUUCVOE-JQWIXIFHSA-N 1 0 268.313 1.123 20 5 CDBDRO COC[C@@H](CO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449298276 393133967 /nfs/dbraw/zinc/13/39/67/393133967.db2.gz JCNZNLCWALDGFL-ZYHUDNBSSA-N 1 0 268.313 1.123 20 5 CDBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000449658819 393137778 /nfs/dbraw/zinc/13/77/78/393137778.db2.gz UNSJXOZTMJFGIR-JTQLQIEISA-N 1 0 285.250 1.322 20 5 CDBDRO Nc1c(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC000449723994 393139236 /nfs/dbraw/zinc/13/92/36/393139236.db2.gz XZXXZVDADFCBIS-IONNQARKSA-N 1 0 296.302 1.173 20 5 CDBDRO COc1cccc(C(=O)NCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000195311737 393164993 /nfs/dbraw/zinc/16/49/93/393164993.db2.gz HQEZKDFMQZSMRE-UHFFFAOYSA-N 1 0 281.312 1.285 20 5 CDBDRO CC(C)[C@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000302155420 393196885 /nfs/dbraw/zinc/19/68/85/393196885.db2.gz MKCHSKWJSGGQNY-LLVKDONJSA-N 1 0 265.317 1.161 20 5 CDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1ccccc1[N+](=O)[O-] ZINC000275837781 135114040 /nfs/dbraw/zinc/11/40/40/135114040.db2.gz PHUYTINHLRJDBY-LBPRGKRZSA-N 1 0 293.367 1.876 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000131932981 139846338 /nfs/dbraw/zinc/84/63/38/139846338.db2.gz CUGVLIDOGYILAW-JGVFFNPUSA-N 1 0 269.326 1.466 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000132633801 139855089 /nfs/dbraw/zinc/85/50/89/139855089.db2.gz SFPFFQMYWGONHO-JTQLQIEISA-N 1 0 283.715 1.730 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000160431368 139911220 /nfs/dbraw/zinc/91/12/20/139911220.db2.gz JMDCDCFCYAGTFK-UHFFFAOYSA-N 1 0 295.339 1.851 20 5 CDBDRO COCC[NH2+]CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000215515603 140161764 /nfs/dbraw/zinc/16/17/64/140161764.db2.gz LZUSEVDPLQJKGV-UHFFFAOYSA-N 1 0 257.265 1.382 20 5 CDBDRO CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000231467383 140216133 /nfs/dbraw/zinc/21/61/33/140216133.db2.gz WCNSUVJXDVCKBU-ZDUSSCGKSA-N 1 0 291.351 1.738 20 5 CDBDRO O=[N+]([O-])c1ccccc1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252666950 140321933 /nfs/dbraw/zinc/32/19/33/140321933.db2.gz DFQYHFAXGACCSP-RYUDHWBXSA-N 1 0 277.324 1.870 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CCC[NH2+]CC2)c(F)c1 ZINC000261585541 140357129 /nfs/dbraw/zinc/35/71/29/140357129.db2.gz TUEAOFVPHMEJLW-UHFFFAOYSA-N 1 0 253.277 1.529 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261588719 140358245 /nfs/dbraw/zinc/35/82/45/140358245.db2.gz KHTZYKKTBMVUDZ-DGCLKSJQSA-N 1 0 261.325 1.779 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)c(F)c1 ZINC000261856043 140399409 /nfs/dbraw/zinc/39/94/09/140399409.db2.gz XEWOWHQEDZWCQY-FZMZJTMJSA-N 1 0 279.315 1.918 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000289447297 398100855 /nfs/dbraw/zinc/10/08/55/398100855.db2.gz BGNMHEATZVQCNR-QWHCGFSZSA-N 1 0 289.335 1.872 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H]([NH3+])C1 ZINC000091550317 146985028 /nfs/dbraw/zinc/98/50/28/146985028.db2.gz YESAAGOGDXNSAW-VIFPVBQESA-N 1 0 253.306 1.047 20 5 CDBDRO CCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000352386998 155151752 /nfs/dbraw/zinc/15/17/52/155151752.db2.gz MINNLRNSQGWPFV-UHFFFAOYSA-N 1 0 268.317 1.385 20 5 CDBDRO CCc1nn(C)c(N2CC[C@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000127265097 147547254 /nfs/dbraw/zinc/54/72/54/147547254.db2.gz KIZXPEFLASPMBP-BDAKNGLRSA-N 1 0 267.333 1.064 20 5 CDBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000182952997 148276760 /nfs/dbraw/zinc/27/67/60/148276760.db2.gz DOCQYSDOVSRBOP-WZRBSPASSA-N 1 0 296.371 1.567 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000193654792 148634465 /nfs/dbraw/zinc/63/44/65/148634465.db2.gz YGYTYBVYMDKVFT-CABZTGNLSA-N 1 0 293.323 1.474 20 5 CDBDRO CC[C@H](NC(=O)[C@@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000262530034 149073631 /nfs/dbraw/zinc/07/36/31/149073631.db2.gz LVYNZFBSJDVQJC-CABZTGNLSA-N 1 0 265.313 1.757 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000310934258 149204674 /nfs/dbraw/zinc/20/46/74/149204674.db2.gz FRZWXVGSMHRUMH-SSDOTTSWSA-N 1 0 255.249 1.201 20 5 CDBDRO CO[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCOC1 ZINC000313586065 149244942 /nfs/dbraw/zinc/24/49/42/149244942.db2.gz YMMPJVTVTIPJLC-ZDUSSCGKSA-N 1 0 284.287 1.629 20 5 CDBDRO C[C@@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343458073 152187923 /nfs/dbraw/zinc/18/79/23/152187923.db2.gz VWOYUIORVSVVFK-ZWNOBZJWSA-N 1 0 277.324 1.807 20 5 CDBDRO [NH3+]CC1CCC(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000343630482 152250398 /nfs/dbraw/zinc/25/03/98/152250398.db2.gz UGLNCYJOPRUGKW-UHFFFAOYSA-N 1 0 280.328 1.418 20 5 CDBDRO COc1cc(CN(C)[C@H](C)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000347007771 153377751 /nfs/dbraw/zinc/37/77/51/153377751.db2.gz DLYGIJHAYCEINB-SECBINFHSA-N 1 0 283.328 1.391 20 5 CDBDRO COC(=O)[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000347045496 153392029 /nfs/dbraw/zinc/39/20/29/153392029.db2.gz NSPAZBGALTWQPD-MFKMUULPSA-N 1 0 278.308 1.978 20 5 CDBDRO C[C@H](NC(=O)CCOC1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000348987118 154020253 /nfs/dbraw/zinc/02/02/53/154020253.db2.gz DQPAUETUMZETHL-JTQLQIEISA-N 1 0 293.323 1.151 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]([NH3+])C(C)C ZINC000353438455 155853274 /nfs/dbraw/zinc/85/32/74/155853274.db2.gz LFJYBXNARCJUMT-GFCCVEGCSA-N 1 0 281.312 1.203 20 5 CDBDRO COc1c(C(=O)N[C@H](C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000356086259 157348687 /nfs/dbraw/zinc/34/86/87/157348687.db2.gz BWHHJRXQWLGUMM-SNVBAGLBSA-N 1 0 295.339 1.673 20 5 CDBDRO Cc1cccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1[N+](=O)[O-] ZINC000248641131 292423917 /nfs/dbraw/zinc/42/39/17/292423917.db2.gz RIBHZNQWPBFSBY-DRZSPHRISA-N 1 0 289.335 1.713 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CCCCC1 ZINC000284839314 196142522 /nfs/dbraw/zinc/14/25/22/196142522.db2.gz BUNFITKRPSOACJ-UHFFFAOYSA-N 1 0 295.343 1.312 20 5 CDBDRO [NH3+]C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000033442042 171802147 /nfs/dbraw/zinc/80/21/47/171802147.db2.gz CERIFTRDUJQGRX-UHFFFAOYSA-N 1 0 283.715 1.812 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285409722 196275598 /nfs/dbraw/zinc/27/55/98/196275598.db2.gz XRECLGFGBXEDTH-BDAKNGLRSA-N 1 0 280.328 1.304 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@H]2COCCO2)cc1[N+](=O)[O-] ZINC000037998139 173961028 /nfs/dbraw/zinc/96/10/28/173961028.db2.gz QBIRHPOFOWWXRS-LBPRGKRZSA-N 1 0 266.297 1.408 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000040594902 174348334 /nfs/dbraw/zinc/34/83/34/174348334.db2.gz GZRHZFRUOHTTJA-LBPRGKRZSA-N 1 0 291.351 1.595 20 5 CDBDRO [NH3+]C1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000040676264 174373766 /nfs/dbraw/zinc/37/37/66/174373766.db2.gz NYPLUAYPUATVHM-UHFFFAOYSA-N 1 0 291.351 1.915 20 5 CDBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc([N+](=O)[O-])o1 ZINC000040740707 174390848 /nfs/dbraw/zinc/39/08/48/174390848.db2.gz NTIDNMCYESIMIS-JVHMLUBASA-N 1 0 265.269 1.201 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000044502039 175185782 /nfs/dbraw/zinc/18/57/82/175185782.db2.gz UFBGJLWNBQPCSD-JTQLQIEISA-N 1 0 263.297 1.324 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000044501720 175185807 /nfs/dbraw/zinc/18/58/07/175185807.db2.gz XOCOCMHGVQDGOP-GFCCVEGCSA-N 1 0 277.324 1.253 20 5 CDBDRO C[C@H](Nc1ncccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000050163979 175511358 /nfs/dbraw/zinc/51/13/58/175511358.db2.gz KUWGGCJRMZLXJW-UWVGGRQHSA-N 1 0 250.302 1.790 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[NH2+]C2)c2ccncc21 ZINC000052093848 175532277 /nfs/dbraw/zinc/53/22/77/175532277.db2.gz PZKJIBOTALIELI-SECBINFHSA-N 1 0 258.281 1.917 20 5 CDBDRO CC[NH2+]CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000054267389 175556679 /nfs/dbraw/zinc/55/66/79/175556679.db2.gz RPSFQJRYZZAJBB-UHFFFAOYSA-N 1 0 289.133 1.774 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000071143295 176040750 /nfs/dbraw/zinc/04/07/50/176040750.db2.gz QAOGSJPJCQUILZ-NSHDSACASA-N 1 0 277.324 1.585 20 5 CDBDRO CC[C@@H]([NH2+]C[C@@H](O)COC)c1cccc([N+](=O)[O-])c1 ZINC000071270551 176103770 /nfs/dbraw/zinc/10/37/70/176103770.db2.gz VLCDRUIJLIRHQL-CHWSQXEVSA-N 1 0 268.313 1.643 20 5 CDBDRO CCCN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000071315665 176121865 /nfs/dbraw/zinc/12/18/65/176121865.db2.gz PCOBZYJZCNLMMI-CYBMUJFWSA-N 1 0 291.351 1.738 20 5 CDBDRO CC[N@H+](C)C[C@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000072302156 176365231 /nfs/dbraw/zinc/36/52/31/176365231.db2.gz NZSFIFXZURAFQS-SNVBAGLBSA-N 1 0 267.333 1.106 20 5 CDBDRO Cc1ccc(C(=O)NC[C@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000390028522 262082537 /nfs/dbraw/zinc/08/25/37/262082537.db2.gz YFARMWNSQIKOIB-GFCCVEGCSA-N 1 0 293.323 1.012 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000322643729 270331058 /nfs/dbraw/zinc/33/10/58/270331058.db2.gz CKDJSVZHZNASIM-NXEZZACHSA-N 1 0 265.313 1.770 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)NCCF ZINC000521643475 270559647 /nfs/dbraw/zinc/55/96/47/270559647.db2.gz FXIHBQABULLBKR-JOYOIKCWSA-N 1 0 295.314 1.646 20 5 CDBDRO COCC[C@@H](CO)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000343629274 274039110 /nfs/dbraw/zinc/03/91/10/274039110.db2.gz YBLUFCBXJZUUIB-JSGCOSHPSA-N 1 0 296.367 1.903 20 5 CDBDRO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@@H]1C[NH3+] ZINC000163937494 274304477 /nfs/dbraw/zinc/30/44/77/274304477.db2.gz KKLNFGPYTMNNCM-ZJUUUORDSA-N 1 0 250.302 1.411 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000261621008 274308700 /nfs/dbraw/zinc/30/87/00/274308700.db2.gz UUFVBKSMUAUIHF-VHSKPIJISA-N 1 0 267.285 1.304 20 5 CDBDRO [NH3+]C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CCO1 ZINC000165796664 274950075 /nfs/dbraw/zinc/95/00/75/274950075.db2.gz HMDCSGQXPMFREA-SNVBAGLBSA-N 1 0 288.307 1.307 20 5 CDBDRO CC(C)[C@@H](C[NH3+])C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000433148512 275981412 /nfs/dbraw/zinc/98/14/12/275981412.db2.gz REMRXQYPZJWIAP-LLVKDONJSA-N 1 0 294.355 1.354 20 5 CDBDRO CNc1c(C(=O)N(C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000161486441 277042477 /nfs/dbraw/zinc/04/24/77/277042477.db2.gz TTXKFXSTHHZROB-UHFFFAOYSA-N 1 0 280.328 1.270 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])cc3F)C[C@H]2C1 ZINC000278690776 277199413 /nfs/dbraw/zinc/19/94/13/277199413.db2.gz HPWTUOSRZVCQTD-AOOOYVTPSA-N 1 0 265.288 1.732 20 5 CDBDRO C[NH2+]CCN(C)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000420223441 277270991 /nfs/dbraw/zinc/27/09/91/277270991.db2.gz APPXWJOSTOBBGK-UHFFFAOYSA-N 1 0 261.285 1.194 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000040601973 277275911 /nfs/dbraw/zinc/27/59/11/277275911.db2.gz TTXRBXOIDLATMB-JTQLQIEISA-N 1 0 292.339 1.130 20 5 CDBDRO C[NH2+][C@@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000129110071 277296463 /nfs/dbraw/zinc/29/64/63/277296463.db2.gz OCGNISHPAASLIL-SSDOTTSWSA-N 1 0 267.314 1.102 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000069142277 278271569 /nfs/dbraw/zinc/27/15/69/278271569.db2.gz RBWQIKGNCUIHCY-CMPLNLGQSA-N 1 0 298.364 1.823 20 5 CDBDRO C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000070078131 278755405 /nfs/dbraw/zinc/75/54/05/278755405.db2.gz YYFHIUQZEKDDCZ-TXEJJXNPSA-N 1 0 263.341 1.820 20 5 CDBDRO Cc1cnc(N2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000228165187 279016034 /nfs/dbraw/zinc/01/60/34/279016034.db2.gz WFEUESCFOZIRKI-VHSXEESVSA-N 1 0 250.302 1.472 20 5 CDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000218336346 280090732 /nfs/dbraw/zinc/09/07/32/280090732.db2.gz DFPRBCJTKHGWTM-QXXLOIIESA-N 1 0 287.319 1.286 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000237628837 280182797 /nfs/dbraw/zinc/18/27/97/280182797.db2.gz JDRKMWSXPOYPND-OTQAPUNGSA-N 1 0 281.287 1.553 20 5 CDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH3+] ZINC000422712579 280748724 /nfs/dbraw/zinc/74/87/24/280748724.db2.gz OIMHUNYASDSOEA-UHFFFAOYSA-N 1 0 283.353 1.785 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@]3(CC[N@@H+](C)C3)C2)n1 ZINC000292459400 281013759 /nfs/dbraw/zinc/01/37/59/281013759.db2.gz ZWXCDUPYSCBYQC-CQSZACIVSA-N 1 0 276.340 1.830 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+](C)C1CC1 ZINC000277867330 281257740 /nfs/dbraw/zinc/25/77/40/281257740.db2.gz AQHSBOGRAVSQBF-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO C[C@@H](F)CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000560468979 290492895 /nfs/dbraw/zinc/49/28/95/290492895.db2.gz VIWKRVBQKRRWPM-LLVKDONJSA-N 1 0 282.319 1.860 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1C[NH2+]C1 ZINC000561038793 293045375 /nfs/dbraw/zinc/04/53/75/293045375.db2.gz KEOCFMGZJCYOCA-UHFFFAOYSA-N 1 0 264.285 1.251 20 5 CDBDRO CC[C@H](O)CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000563140910 293287460 /nfs/dbraw/zinc/28/74/60/293287460.db2.gz GSRDBYFNKRXYFX-NWDGAFQWSA-N 1 0 298.339 1.085 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000565004887 293487599 /nfs/dbraw/zinc/48/75/99/293487599.db2.gz QRFGHQRYTMYELC-ZJUUUORDSA-N 1 0 297.380 1.929 20 5 CDBDRO Cc1c(CC(=O)N2CCC([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000574689882 295038893 /nfs/dbraw/zinc/03/88/93/295038893.db2.gz XWYBPZVXVPZOHB-UHFFFAOYSA-N 1 0 277.324 1.395 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000449638215 295304871 /nfs/dbraw/zinc/30/48/71/295304871.db2.gz JRFAKABRNUQZCO-GHMZBOCLSA-N 1 0 277.324 1.842 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094339787 302038220 /nfs/dbraw/zinc/03/82/20/302038220.db2.gz JGLYHEGQRURTEI-MNOVXSKESA-N 1 0 277.324 1.713 20 5 CDBDRO C[N@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001591125705 1173574417 /nfs/dbraw/zinc/57/44/17/1173574417.db2.gz LFVBQQAQOWCCGE-UHFFFAOYSA-N 1 0 274.284 1.369 20 5 CDBDRO COC(C)(C)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000563952663 316403665 /nfs/dbraw/zinc/40/36/65/316403665.db2.gz PCBJPOCIOJLTTF-NSHDSACASA-N 1 0 298.339 1.349 20 5 CDBDRO CC1(C)CCC[C@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000388868328 323796898 /nfs/dbraw/zinc/79/68/98/323796898.db2.gz IDSDQABPIXUESZ-AAEUAGOBSA-N 1 0 296.371 1.568 20 5 CDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC000396723273 323855997 /nfs/dbraw/zinc/85/59/97/323855997.db2.gz WMYJJNQXFJMIKW-SNVBAGLBSA-N 1 0 284.337 1.368 20 5 CDBDRO CO[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000579672023 324247407 /nfs/dbraw/zinc/24/74/07/324247407.db2.gz QZAXRXJQPRVSLV-WOPDTQHZSA-N 1 0 282.344 1.900 20 5 CDBDRO C[C@H](C(=O)NC[C@H]1CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000580143462 324376988 /nfs/dbraw/zinc/37/69/88/324376988.db2.gz XIKYARVMXARTEY-NWDGAFQWSA-N 1 0 291.351 1.766 20 5 CDBDRO C[C@H]1C[C@H](C)C[NH+](CCn2nccc2[N+](=O)[O-])C1 ZINC000581835579 324842961 /nfs/dbraw/zinc/84/29/61/324842961.db2.gz DXLFELYCUNDRPZ-QWRGUYRKSA-N 1 0 252.318 1.769 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CC23CC3)c1 ZINC000582959898 325077936 /nfs/dbraw/zinc/07/79/36/325077936.db2.gz RBUVFQJWOHJIHK-DGCLKSJQSA-N 1 0 292.335 1.724 20 5 CDBDRO [NH3+]C1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000033448817 518197222 /nfs/dbraw/zinc/19/72/22/518197222.db2.gz WVNIAGUBVFXTOG-UHFFFAOYSA-N 1 0 295.364 1.637 20 5 CDBDRO CC[N@H+](CC(=O)NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000048572407 520340884 /nfs/dbraw/zinc/34/08/84/520340884.db2.gz IXZGVDAFPLXGTJ-UHFFFAOYSA-N 1 0 277.324 1.695 20 5 CDBDRO CCC[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000069091455 521479213 /nfs/dbraw/zinc/47/92/13/521479213.db2.gz KDTRSXUWYHFCKZ-UHFFFAOYSA-N 1 0 277.324 1.826 20 5 CDBDRO CNc1c(C(=O)NCC[N@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000161475720 522537041 /nfs/dbraw/zinc/53/70/41/522537041.db2.gz JVLVDPAITHUWPA-UHFFFAOYSA-N 1 0 294.355 1.707 20 5 CDBDRO CNc1c(C(=O)N[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000161517311 522540583 /nfs/dbraw/zinc/54/05/83/522540583.db2.gz KUFZLOFMGAURKR-VIFPVBQESA-N 1 0 280.328 1.316 20 5 CDBDRO COCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1F ZINC000061379770 523616921 /nfs/dbraw/zinc/61/69/21/523616921.db2.gz XHCJQKLVXXOVRJ-UHFFFAOYSA-N 1 0 271.292 1.724 20 5 CDBDRO CC[C@@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000062893868 523694876 /nfs/dbraw/zinc/69/48/76/523694876.db2.gz LUEFZFQZMMCYPJ-CQSZACIVSA-N 1 0 277.324 1.601 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000430582756 536459076 /nfs/dbraw/zinc/45/90/76/536459076.db2.gz LITMNASTDGNTBQ-LBPRGKRZSA-N 1 0 279.340 1.657 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000338678864 526713426 /nfs/dbraw/zinc/71/34/26/526713426.db2.gz YTOZWTXJIKXPCM-NSHDSACASA-N 1 0 292.339 1.623 20 5 CDBDRO CC1(C)C([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000092816817 1174405042 /nfs/dbraw/zinc/40/50/42/1174405042.db2.gz FKBCKHNITRIHGM-SNVBAGLBSA-N 1 0 282.344 1.176 20 5 CDBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000069144502 527398792 /nfs/dbraw/zinc/39/87/92/527398792.db2.gz CBJCQIRXFBBAFM-GFCCVEGCSA-N 1 0 298.364 1.304 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)nc1 ZINC000049568823 527413202 /nfs/dbraw/zinc/41/32/02/527413202.db2.gz VKDDNUDNJHTARY-WDEREUQCSA-N 1 0 263.301 1.424 20 5 CDBDRO CC1(C)[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@H]2CCCO[C@@H]21 ZINC000182035931 535071735 /nfs/dbraw/zinc/07/17/35/535071735.db2.gz ARVUNWRYQDDPFM-UPJWGTAASA-N 1 0 294.355 1.585 20 5 CDBDRO CC[NH+](CC)CCN(CCOC)c1c([N+](=O)[O-])ncn1C ZINC000433751732 535526593 /nfs/dbraw/zinc/52/65/93/535526593.db2.gz PIUQYKPSDVCUPZ-UHFFFAOYSA-N 1 0 299.375 1.123 20 5 CDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000744799748 574450669 /nfs/dbraw/zinc/45/06/69/574450669.db2.gz QIMUUHLAKIHBJQ-JTQLQIEISA-N 1 0 295.314 1.806 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)c1nc2ccccn2c1[N+](=O)[O-] ZINC000770221118 575432501 /nfs/dbraw/zinc/43/25/01/575432501.db2.gz HUHRJNJLCUBEDN-UHFFFAOYSA-N 1 0 289.339 1.773 20 5 CDBDRO CN(Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000759421324 576387676 /nfs/dbraw/zinc/38/76/76/576387676.db2.gz CGHPSPWDLGNZGQ-NSHDSACASA-N 1 0 283.715 1.569 20 5 CDBDRO Cc1nn(C[NH+]2C[C@@H](C)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000751930085 577075812 /nfs/dbraw/zinc/07/58/12/577075812.db2.gz SUCSJMYLRRMWBX-RKDXNWHRSA-N 1 0 252.318 1.953 20 5 CDBDRO CCOC(=O)N[C@@H](C[NH2+]CC[N+](=O)[O-])CC(C)C ZINC000899869618 622494599 /nfs/dbraw/zinc/49/45/99/622494599.db2.gz HOZHVGVCQTXBBN-SNVBAGLBSA-N 1 0 261.322 1.014 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000892634437 617549874 /nfs/dbraw/zinc/54/98/74/617549874.db2.gz UXICRXXGZHVXCW-LLVKDONJSA-N 1 0 279.344 1.250 20 5 CDBDRO CO[C@@H]1CCOC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000934045057 617868076 /nfs/dbraw/zinc/86/80/76/617868076.db2.gz ZOLYZQBZFSYIOR-ZIAGYGMSSA-N 1 0 296.323 1.367 20 5 CDBDRO Cc1cc(F)cc(C(=O)N(C)CC(C)(C)[NH3+])c1[N+](=O)[O-] ZINC000852897488 617994314 /nfs/dbraw/zinc/99/43/14/617994314.db2.gz BTZJEPFDAIBQHJ-UHFFFAOYSA-N 1 0 283.303 1.852 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000893874299 618121890 /nfs/dbraw/zinc/12/18/90/618121890.db2.gz VVQQICUGRGEHSH-JTQLQIEISA-N 1 0 295.314 1.866 20 5 CDBDRO CCO[C@@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@H]1OC ZINC000893068603 618123995 /nfs/dbraw/zinc/12/39/95/618123995.db2.gz RONUNAROHSUMNT-BPLDGKMQSA-N 1 0 294.351 1.919 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NCC1CC[NH+](CC2CC2)CC1 ZINC000894641832 619001858 /nfs/dbraw/zinc/00/18/58/619001858.db2.gz IEIVHNHWPDJBSY-UHFFFAOYSA-N 1 0 293.371 1.862 20 5 CDBDRO CCC[C@@H]1CN(c2ncc([N+](=O)[O-])s2)CC[NH2+]1 ZINC000895059899 619244216 /nfs/dbraw/zinc/24/42/16/619244216.db2.gz YEWLHVIELWOMLO-MRVPVSSYSA-N 1 0 256.331 1.630 20 5 CDBDRO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000897684249 621072313 /nfs/dbraw/zinc/07/23/13/621072313.db2.gz LRFMRVABACMMRD-JDRNFJBZSA-N 1 0 262.309 1.921 20 5 CDBDRO O=[N+]([O-])CC[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000899865005 622498780 /nfs/dbraw/zinc/49/87/80/622498780.db2.gz OXXWUZXGNGWBDX-UHFFFAOYSA-N 1 0 264.203 1.952 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000905156552 626640308 /nfs/dbraw/zinc/64/03/08/626640308.db2.gz SWCMSIKPYWHEOT-LBPRGKRZSA-N 1 0 252.339 1.883 20 5 CDBDRO CO[C@@H](C[NH2+]CC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000905136117 626650030 /nfs/dbraw/zinc/65/00/30/626650030.db2.gz KWCDYWBXIOHMIE-NSHDSACASA-N 1 0 258.705 1.894 20 5 CDBDRO Cc1ccccc1[C@H]([C@H](C)NCC[N+](=O)[O-])[NH+](C)C ZINC000905231396 626686033 /nfs/dbraw/zinc/68/60/33/626686033.db2.gz SSBDMGWTXXAWFN-JSGCOSHPSA-N 1 0 265.357 1.853 20 5 CDBDRO COc1cc(F)cc(C[C@H](C)[NH2+]CC[N+](=O)[O-])c1 ZINC000905282079 626736361 /nfs/dbraw/zinc/73/63/61/626736361.db2.gz YCTMJHRPJDRWIE-VIFPVBQESA-N 1 0 256.277 1.632 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000905371156 626788988 /nfs/dbraw/zinc/78/89/88/626788988.db2.gz GSRJPMAXFKVGNE-SNVBAGLBSA-N 1 0 289.129 1.349 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2C=CCC2)c1 ZINC000905417240 626805630 /nfs/dbraw/zinc/80/56/30/626805630.db2.gz KDQPIKBSOALPHM-JSGCOSHPSA-N 1 0 292.335 1.890 20 5 CDBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+]CC1 ZINC000911647272 629392913 /nfs/dbraw/zinc/39/29/13/629392913.db2.gz YAUXALGFABRJCV-UHFFFAOYSA-N 1 0 297.742 1.613 20 5 CDBDRO C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911748614 629466618 /nfs/dbraw/zinc/46/66/18/629466618.db2.gz OUSJWZRUBHOZAZ-NWDGAFQWSA-N 1 0 263.297 1.034 20 5 CDBDRO Cc1c(C[N@@H+]2CCC[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000917030307 632132796 /nfs/dbraw/zinc/13/27/96/632132796.db2.gz XLKCUNDNJPFDDZ-LBPRGKRZSA-N 1 0 277.324 1.601 20 5 CDBDRO C[C@@]1(NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000230733626 678733655 /nfs/dbraw/zinc/73/36/55/678733655.db2.gz LTTHUDZUEWGYIT-GFCCVEGCSA-N 1 0 267.260 1.216 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCCCCO)cc1 ZINC000236496402 678949335 /nfs/dbraw/zinc/94/93/35/678949335.db2.gz HCIRRHJXLSJUGI-AWEZNQCLSA-N 1 0 282.340 1.771 20 5 CDBDRO O=[N+]([O-])c1ccnn1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000131353590 677725079 /nfs/dbraw/zinc/72/50/79/677725079.db2.gz WKXANERYKUIILN-GFCCVEGCSA-N 1 0 279.344 1.167 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1csc([N+](=O)[O-])c1 ZINC000923301890 677729017 /nfs/dbraw/zinc/72/90/17/677729017.db2.gz KWXASRFFZWJEPR-WDEREUQCSA-N 1 0 295.364 1.965 20 5 CDBDRO C[C@H](O)C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000847094835 677812125 /nfs/dbraw/zinc/81/21/25/677812125.db2.gz PGJRVGKOISUIDY-IINYFYTJSA-N 1 0 280.324 1.473 20 5 CDBDRO COc1ccc(C(=O)NC2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000051692609 677863314 /nfs/dbraw/zinc/86/33/14/677863314.db2.gz SZXYMNDLADAWSR-UHFFFAOYSA-N 1 0 293.323 1.603 20 5 CDBDRO COc1cccc(NC[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000135058083 677879150 /nfs/dbraw/zinc/87/91/50/677879150.db2.gz CNQUZZWBFXKYPA-SECBINFHSA-N 1 0 251.286 1.625 20 5 CDBDRO C[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850516434 677897495 /nfs/dbraw/zinc/89/74/95/677897495.db2.gz VOPWJZNLIVPCIX-UWVGGRQHSA-N 1 0 279.340 1.989 20 5 CDBDRO C[NH2+]C[C@H](C)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000853248304 677918675 /nfs/dbraw/zinc/91/86/75/677918675.db2.gz CVZTYXMPUVENBX-LBPRGKRZSA-N 1 0 292.383 1.761 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000883162676 677920817 /nfs/dbraw/zinc/92/08/17/677920817.db2.gz AEJOCVUKZFTLRP-ZDUSSCGKSA-N 1 0 292.339 1.488 20 5 CDBDRO CN1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000843122952 677939394 /nfs/dbraw/zinc/93/93/94/677939394.db2.gz XKXAYKVWEAWWBH-NSHDSACASA-N 1 0 298.774 1.323 20 5 CDBDRO C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000089743514 678032088 /nfs/dbraw/zinc/03/20/88/678032088.db2.gz OGQOMSCAMMEJII-QWRGUYRKSA-N 1 0 277.324 1.772 20 5 CDBDRO CN(CC[NH3+])C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000054417484 678065076 /nfs/dbraw/zinc/06/50/76/678065076.db2.gz FSVQTDKTJYERMF-UHFFFAOYSA-N 1 0 257.677 1.279 20 5 CDBDRO Cc1cc(F)cc(C(=O)NC[C@H]([NH3+])C2CC2)c1[N+](=O)[O-] ZINC000137396570 678069543 /nfs/dbraw/zinc/06/95/43/678069543.db2.gz WSJTZNZUKPSEBA-NSHDSACASA-N 1 0 281.287 1.509 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886832181 678141035 /nfs/dbraw/zinc/14/10/35/678141035.db2.gz CHHUNUSSPMMPOH-VHSXEESVSA-N 1 0 250.302 1.159 20 5 CDBDRO COc1cc(C)c([C@@H](C)[NH2+]CC[N+](=O)[O-])cc1OC ZINC000930197838 678186997 /nfs/dbraw/zinc/18/69/97/678186997.db2.gz WAMYHEOYVFVENR-SNVBAGLBSA-N 1 0 268.313 1.940 20 5 CDBDRO Cn1cc(CN2CC[NH2+]CCC23CCC3)c([N+](=O)[O-])n1 ZINC000883459874 677751144 /nfs/dbraw/zinc/75/11/44/677751144.db2.gz JOOUIWYADRODBC-UHFFFAOYSA-N 1 0 279.344 1.046 20 5 CDBDRO O=C1NCCN1CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000886744915 677784702 /nfs/dbraw/zinc/78/47/02/677784702.db2.gz KBGAAAKZMXJFHA-GFCCVEGCSA-N 1 0 290.323 1.197 20 5 CDBDRO Cc1nnsc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819327903 677795497 /nfs/dbraw/zinc/79/54/97/677795497.db2.gz JGQDECMGAVVLTK-NSHDSACASA-N 1 0 294.336 1.578 20 5 CDBDRO C[C@]([NH3+])(C(=O)NC[C@H]1CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000870884765 677827723 /nfs/dbraw/zinc/82/77/23/677827723.db2.gz INMDMBHMIIFRFR-IAQYHMDHSA-N 1 0 291.351 1.931 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc(C[C@H]3COCC[NH2+]3)n2)cc1 ZINC000129623455 677859863 /nfs/dbraw/zinc/85/98/63/677859863.db2.gz FXELOVNEIDXMEZ-JTQLQIEISA-N 1 0 290.279 1.176 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000886280722 677889442 /nfs/dbraw/zinc/88/94/42/677889442.db2.gz JQKORVFAEWDOFP-QWRGUYRKSA-N 1 0 263.297 1.383 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)cc1F ZINC000712261881 677893826 /nfs/dbraw/zinc/89/38/26/677893826.db2.gz ODNKZPVOBRKLED-UHIISALHSA-N 1 0 280.299 1.937 20 5 CDBDRO Cc1nc(N2CCCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000124099809 677902489 /nfs/dbraw/zinc/90/24/89/677902489.db2.gz JWWRMMDYZOWSPK-JTQLQIEISA-N 1 0 250.302 1.616 20 5 CDBDRO CC[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000834641698 677969981 /nfs/dbraw/zinc/96/99/81/677969981.db2.gz MKNXAWMECRJHOA-ONGXEEELSA-N 1 0 292.339 1.376 20 5 CDBDRO Cc1ccc(CNC(=O)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000870963017 677981587 /nfs/dbraw/zinc/98/15/87/677981587.db2.gz VHDAMWLBMFXSIO-UHFFFAOYSA-N 1 0 277.324 1.519 20 5 CDBDRO COCCC[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579649 678050608 /nfs/dbraw/zinc/05/06/08/678050608.db2.gz OXPONMFRVHLSJG-ZDUSSCGKSA-N 1 0 268.313 1.597 20 5 CDBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886229991 678102501 /nfs/dbraw/zinc/10/25/01/678102501.db2.gz ZAVDMRHAEAVLCA-GHMZBOCLSA-N 1 0 265.313 1.893 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865811946 678153940 /nfs/dbraw/zinc/15/39/40/678153940.db2.gz ZQYVNUDTXDMLDS-JTQLQIEISA-N 1 0 297.330 1.733 20 5 CDBDRO CSCCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134756955 678163350 /nfs/dbraw/zinc/16/33/50/678163350.db2.gz VSFQFXNJWORPNG-LBPRGKRZSA-N 1 0 270.354 1.971 20 5 CDBDRO C[N@H+](CCNc1ccsc1[N+](=O)[O-])CCOCCO ZINC000882950869 678193140 /nfs/dbraw/zinc/19/31/40/678193140.db2.gz DMUGLGQVQXGIKE-UHFFFAOYSA-N 1 0 289.357 1.009 20 5 CDBDRO CC[C@H](C)[NH+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000837006042 678198261 /nfs/dbraw/zinc/19/82/61/678198261.db2.gz YSCYFWKMYKZELU-LBPRGKRZSA-N 1 0 285.388 1.765 20 5 CDBDRO COc1cccc(C(=O)N(C)C[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000877102720 678229690 /nfs/dbraw/zinc/22/96/90/678229690.db2.gz MQDRSZZQYYTRQN-MRVPVSSYSA-N 1 0 267.285 1.023 20 5 CDBDRO COCC1(C)C[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000788436583 678242933 /nfs/dbraw/zinc/24/29/33/678242933.db2.gz AXYYWPFANAECGM-CYBMUJFWSA-N 1 0 280.324 1.597 20 5 CDBDRO C[NH+](C)C[C@](C)(O)CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804568407 678246600 /nfs/dbraw/zinc/24/66/00/678246600.db2.gz IILBMLVTTQYAGX-GFCCVEGCSA-N 1 0 298.299 1.228 20 5 CDBDRO O=C(OCC[NH+]1CCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000861390182 678251022 /nfs/dbraw/zinc/25/10/22/678251022.db2.gz BBMLGKOPSLSSIU-UONOGXRCSA-N 1 0 290.319 1.947 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000882492446 678292088 /nfs/dbraw/zinc/29/20/88/678292088.db2.gz SIOSKJGCCRFIRN-SNVBAGLBSA-N 1 0 293.323 1.427 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H](CCO)C1CC1 ZINC000886129378 678329047 /nfs/dbraw/zinc/32/90/47/678329047.db2.gz CVSSHZQMZCYTSY-NSHDSACASA-N 1 0 251.286 1.240 20 5 CDBDRO CC[C@H](CCO)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843077725 678351090 /nfs/dbraw/zinc/35/10/90/678351090.db2.gz GLYGQBLLSJWMDM-RISCZKNCSA-N 1 0 282.340 1.626 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261736884 678377382 /nfs/dbraw/zinc/37/73/82/678377382.db2.gz LRYKMPAZFYXWLE-WDEREUQCSA-N 1 0 279.344 1.308 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000882494639 678395198 /nfs/dbraw/zinc/39/51/98/678395198.db2.gz SYFDFDUTMMTCJG-SNVBAGLBSA-N 1 0 257.334 1.032 20 5 CDBDRO O=C(CC[NH2+]CC1CC1)NCCc1ccccc1[N+](=O)[O-] ZINC000870894360 678396864 /nfs/dbraw/zinc/39/68/64/678396864.db2.gz QMNRDLLEKLEZBD-UHFFFAOYSA-N 1 0 291.351 1.643 20 5 CDBDRO C[C@]1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000158663113 678399004 /nfs/dbraw/zinc/39/90/04/678399004.db2.gz QLMNMESFXQVUIG-UONOGXRCSA-N 1 0 280.324 1.787 20 5 CDBDRO COCCOC[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886023003 678417438 /nfs/dbraw/zinc/41/74/38/678417438.db2.gz KPLVJCDIPUGXLC-GFCCVEGCSA-N 1 0 295.339 1.475 20 5 CDBDRO C[N@@H+]1CCC[C@H](CCNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000838149865 678470183 /nfs/dbraw/zinc/47/01/83/678470183.db2.gz QEALHNUTHOCCJN-GFCCVEGCSA-N 1 0 285.388 1.670 20 5 CDBDRO C[C@H](CCO)N(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000844448740 678480258 /nfs/dbraw/zinc/48/02/58/678480258.db2.gz GSLUKQIJYJOGGF-SECBINFHSA-N 1 0 283.284 1.706 20 5 CDBDRO C[C@@H](NC(=O)[C@H](C)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000928246689 678542523 /nfs/dbraw/zinc/54/25/23/678542523.db2.gz KSKNIOXKMWRIBP-ZJUUUORDSA-N 1 0 265.313 1.722 20 5 CDBDRO CN(Cc1cn(C)nc1[N+](=O)[O-])C1(C[NH3+])CCCCC1 ZINC000883454918 678632606 /nfs/dbraw/zinc/63/26/06/678632606.db2.gz OEXRLUIPRUSMPV-UHFFFAOYSA-N 1 0 281.360 1.422 20 5 CDBDRO Cc1nn(C)c(N[C@H](C)[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000050163948 678685335 /nfs/dbraw/zinc/68/53/35/678685335.db2.gz VQVZWQJRLMSYGQ-SCZZXKLOSA-N 1 0 267.333 1.437 20 5 CDBDRO Nc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000050273134 678688258 /nfs/dbraw/zinc/68/82/58/678688258.db2.gz NXBWXPXGQPZXNM-JTQLQIEISA-N 1 0 290.323 1.144 20 5 CDBDRO Cc1c(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000819189399 678694085 /nfs/dbraw/zinc/69/40/85/678694085.db2.gz CEDFIYGZGMTJHH-CQSZACIVSA-N 1 0 290.323 1.460 20 5 CDBDRO CN(CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000158642242 678744768 /nfs/dbraw/zinc/74/47/68/678744768.db2.gz OYMMSRTWPIMTJL-AWEZNQCLSA-N 1 0 279.340 1.312 20 5 CDBDRO Nc1ccc([N+](=O)[O-])c(N2CC[NH+](CCCCO)CC2)c1 ZINC000800853940 678791767 /nfs/dbraw/zinc/79/17/67/678791767.db2.gz DHQQQAFYRJTYIK-UHFFFAOYSA-N 1 0 294.355 1.072 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000702679467 678823776 /nfs/dbraw/zinc/82/37/76/678823776.db2.gz WZSBCVWVJHYQGT-ZOZIERIHSA-N 1 0 275.308 1.556 20 5 CDBDRO C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000886827665 678833831 /nfs/dbraw/zinc/83/38/31/678833831.db2.gz PGIRNSHFSSHILA-AOOOYVTPSA-N 1 0 250.302 1.172 20 5 CDBDRO O=C1CC[C@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)O1 ZINC000851994949 678871299 /nfs/dbraw/zinc/87/12/99/678871299.db2.gz XNOHKRSHWNJZLD-LLVKDONJSA-N 1 0 294.311 1.134 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CC[C@H]1O ZINC000850474134 678886119 /nfs/dbraw/zinc/88/61/19/678886119.db2.gz JIBUXUNMVNYEMV-GGZOMVNGSA-N 1 0 266.297 1.777 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000884275906 678892296 /nfs/dbraw/zinc/89/22/96/678892296.db2.gz ZLEQAQZDRQTFME-SNVBAGLBSA-N 1 0 279.340 1.939 20 5 CDBDRO C[C@@H](CN(C)C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819308564 678903760 /nfs/dbraw/zinc/90/37/60/678903760.db2.gz AYSDDDNCHZBCRA-GWCFXTLKSA-N 1 0 267.329 1.168 20 5 CDBDRO C[C@@H]([NH3+])CN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000863567393 678944866 /nfs/dbraw/zinc/94/48/66/678944866.db2.gz CFSSKYKRBXDQRU-SNVBAGLBSA-N 1 0 253.302 1.253 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H]2CCO)c1 ZINC000778267223 678965810 /nfs/dbraw/zinc/96/58/10/678965810.db2.gz CECLBYOSBOVYNC-TZMCWYRMSA-N 1 0 280.324 1.475 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000876507523 678989634 /nfs/dbraw/zinc/98/96/34/678989634.db2.gz IQXGCFGHSXVBAZ-NSHDSACASA-N 1 0 277.324 1.693 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[C@H]4C[C@H]4[NH2+]3)n2)o1 ZINC000823269181 678991742 /nfs/dbraw/zinc/99/17/42/678991742.db2.gz DMBMQYVXIKOSOU-QYNIQEEDSA-N 1 0 262.225 1.661 20 5 CDBDRO Cc1nn(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000840152483 678995069 /nfs/dbraw/zinc/99/50/69/678995069.db2.gz NFYBIAHNKQLYOJ-ZDUSSCGKSA-N 1 0 295.387 1.780 20 5 CDBDRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC000930372372 679029232 /nfs/dbraw/zinc/02/92/32/679029232.db2.gz KWCUZMPRSNUFNT-DGCLKSJQSA-N 1 0 280.324 1.273 20 5 CDBDRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839454691 679113838 /nfs/dbraw/zinc/11/38/38/679113838.db2.gz ALFCBXOMMRGNKO-IJLUTSLNSA-N 1 0 293.323 1.198 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H](CO)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000886229017 679120523 /nfs/dbraw/zinc/12/05/23/679120523.db2.gz JMEWSLGRIXQEMD-ZIAGYGMSSA-N 1 0 294.351 1.923 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000839647799 679125917 /nfs/dbraw/zinc/12/59/17/679125917.db2.gz WKYZKQSYWUZYFG-GXFFZTMASA-N 1 0 298.314 1.611 20 5 CDBDRO CC1(C)[C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])[C@H]2CCO[C@H]21 ZINC000886229388 679135473 /nfs/dbraw/zinc/13/54/73/679135473.db2.gz OYFFBSODDKHUPF-IJLUTSLNSA-N 1 0 277.324 1.893 20 5 CDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1cccc(N2CCOC2=O)c1 ZINC000791055817 679136592 /nfs/dbraw/zinc/13/65/92/679136592.db2.gz YXWNCUOPQSNHPO-SNVBAGLBSA-N 1 0 279.296 1.571 20 5 CDBDRO C[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000823055718 679159975 /nfs/dbraw/zinc/15/99/75/679159975.db2.gz RQUZINXSMLIZDI-JTQLQIEISA-N 1 0 271.361 1.421 20 5 CDBDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886267780 679160651 /nfs/dbraw/zinc/16/06/51/679160651.db2.gz UXRBHSDQMVAFEM-PWSUYJOCSA-N 1 0 267.329 1.877 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000843503572 679357075 /nfs/dbraw/zinc/35/70/75/679357075.db2.gz LIYGCVFHQUIHLJ-UWVGGRQHSA-N 1 0 294.355 1.516 20 5 CDBDRO CC(C)[C@](C)(CO)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886211685 679391715 /nfs/dbraw/zinc/39/17/15/679391715.db2.gz VCPAMBNRCXDPIN-LBPRGKRZSA-N 1 0 253.302 1.486 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1C[NH2+]CCO1 ZINC000134275475 679445971 /nfs/dbraw/zinc/44/59/71/679445971.db2.gz HGMLZWVVKNVAMW-MRVPVSSYSA-N 1 0 272.692 1.044 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@]1(C)CC[NH2+]C1)CC2 ZINC000818608603 679461719 /nfs/dbraw/zinc/46/17/19/679461719.db2.gz IZWPAOCUICVXFL-HNNXBMFYSA-N 1 0 289.335 1.792 20 5 CDBDRO O=C(NCCCCC[NH+]1CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839777525 679474285 /nfs/dbraw/zinc/47/42/85/679474285.db2.gz ITUIDGNZHJYWFO-VXGBXAGGSA-N 1 0 269.345 1.034 20 5 CDBDRO C[NH2+]C[C@@H](C)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000853248301 679514474 /nfs/dbraw/zinc/51/44/74/679514474.db2.gz CVZTYXMPUVENBX-GFCCVEGCSA-N 1 0 292.383 1.761 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1[N+](=O)[O-] ZINC000877171013 679574320 /nfs/dbraw/zinc/57/43/20/679574320.db2.gz ZVGOAAIQVDTVKT-PHIMTYICSA-N 1 0 293.298 1.619 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC1([NH3+])CCC1 ZINC000876798330 679616443 /nfs/dbraw/zinc/61/64/43/679616443.db2.gz GQGMHMSHEZNNIM-UHFFFAOYSA-N 1 0 277.324 1.823 20 5 CDBDRO CC(C)C[C@H](O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000226105928 679625058 /nfs/dbraw/zinc/62/50/58/679625058.db2.gz OKFJISPIEYMMEW-UONOGXRCSA-N 1 0 282.340 1.625 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000129420051 1158990970 /nfs/dbraw/zinc/99/09/70/1158990970.db2.gz VMORTARBVSBBPM-MRVPVSSYSA-N 1 0 285.731 1.834 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]C(C)(C)CN)c([N+](=O)[O-])c1 ZINC001170297693 1162327695 /nfs/dbraw/zinc/32/76/95/1162327695.db2.gz QSQUTVFNKUUUJE-SNVBAGLBSA-N 1 0 281.356 1.861 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]CC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC001170298155 1162328648 /nfs/dbraw/zinc/32/86/48/1162328648.db2.gz GRXDTXNIZOCENA-JTQLQIEISA-N 1 0 295.339 1.212 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]C2CC(CO)C2)c([N+](=O)[O-])c1 ZINC001170309680 1162340089 /nfs/dbraw/zinc/34/00/89/1162340089.db2.gz RJXLOYSWWBDZSH-ZBOXLXRLSA-N 1 0 294.351 1.895 20 5 CDBDRO Cc1c(N[C@H](C)[C@H]2C[NH2+]CCO2)cc(F)cc1[N+](=O)[O-] ZINC001170567779 1162950135 /nfs/dbraw/zinc/95/01/35/1162950135.db2.gz LUWBTGQVDZWAQN-NOZJJQNGSA-N 1 0 283.303 1.831 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001156038560 1161984518 /nfs/dbraw/zinc/98/45/18/1161984518.db2.gz BSPQDINTWIFLAP-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO CCOC(=O)C1(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168967142 1161996150 /nfs/dbraw/zinc/99/61/50/1161996150.db2.gz NQINCHDPZZNTCF-WDEREUQCSA-N 1 0 270.329 1.365 20 5 CDBDRO [NH3+]Cc1cnnn1-c1cc2ccccc2c([N+](=O)[O-])c1 ZINC001169311392 1162002992 /nfs/dbraw/zinc/00/29/92/1162002992.db2.gz HAXSHRZFNWEEMI-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO CCOC(=O)c1ccnc(-n2ccc(C[NH3+])c2)c1[N+](=O)[O-] ZINC001158766762 1163558909 /nfs/dbraw/zinc/55/89/09/1163558909.db2.gz IGVAGVOQYCKGPC-UHFFFAOYSA-N 1 0 290.279 1.416 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000053712701 1166878931 /nfs/dbraw/zinc/87/89/31/1166878931.db2.gz ZCKNSAZUXWGFSZ-NXEZZACHSA-N 1 0 250.302 1.485 20 5 CDBDRO Cc1cc(Cl)nc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)c1[N+](=O)[O-] ZINC001155636182 1167272239 /nfs/dbraw/zinc/27/22/39/1167272239.db2.gz GTOOUWUGTMPTFX-FYBVGQRMSA-N 1 0 298.730 1.493 20 5 CDBDRO O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)[C@@H]1CC[NH2+]C1 ZINC001574347503 1170954047 /nfs/dbraw/zinc/95/40/47/1170954047.db2.gz ZFBYBSLLOVPVJG-SNVBAGLBSA-N 1 0 286.291 1.691 20 5 CDBDRO C[C@@]12C[NH2+]C[C@@H]1CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC001579473524 1172191675 /nfs/dbraw/zinc/19/16/75/1172191675.db2.gz CISUQKYQGRUXSU-YUELXQCFSA-N 1 0 291.351 1.170 20 5 CDBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001579607535 1172222653 /nfs/dbraw/zinc/22/26/53/1172222653.db2.gz CBJPLCNEVPAXAT-AOOOYVTPSA-N 1 0 293.298 1.619 20 5 CDBDRO Cc1ccc(NC(=O)CC2([NH3+])CCC2)c(N)c1[N+](=O)[O-] ZINC001579715458 1172245441 /nfs/dbraw/zinc/24/54/41/1172245441.db2.gz RWVUQZMWKBJDGR-UHFFFAOYSA-N 1 0 278.312 1.695 20 5 CDBDRO [NH3+]C1CCC2(CC1)CN(c1cccnc1[N+](=O)[O-])CCO2 ZINC001580173096 1172369375 /nfs/dbraw/zinc/36/93/75/1172369375.db2.gz AMDDFGOLULCROT-UHFFFAOYSA-N 1 0 292.339 1.467 20 5 CDBDRO Cc1cc(C(=O)N(C)CC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000094021969 1174457937 /nfs/dbraw/zinc/45/79/37/1174457937.db2.gz HMKHTFPAIQYKNZ-UHFFFAOYSA-N 1 0 291.351 1.975 20 5 CDBDRO C[NH2+]C[C@@H](C)CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000379958332 1187261977 /nfs/dbraw/zinc/26/19/77/1187261977.db2.gz KHXYMXKUCQULOC-SSDOTTSWSA-N 1 0 258.709 1.333 20 5 CDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cccc([N+](=O)[O-])n1 ZINC001164640729 719169339 /nfs/dbraw/zinc/16/93/39/719169339.db2.gz VQKICMSQCNPADU-UWVGGRQHSA-N 1 0 250.302 1.519 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+][C@@H]2C[C@@H]21 ZINC001580821680 1167723620 /nfs/dbraw/zinc/72/36/20/1167723620.db2.gz ADHVLEFXBJMSIW-MNOVXSKESA-N 1 0 281.699 1.435 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CNC(=O)C1(C)C ZINC001173229309 912323073 /nfs/dbraw/zinc/32/30/73/912323073.db2.gz MNNNQLXQXYWSOA-ZWNOBZJWSA-N 1 0 291.351 1.640 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)O ZINC001173210387 912330020 /nfs/dbraw/zinc/33/00/20/912330020.db2.gz KFTNILTZMGSHGF-SNVBAGLBSA-N 1 0 252.314 1.886 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)C(F)(F)F)cc1 ZINC000231202334 912439134 /nfs/dbraw/zinc/43/91/34/912439134.db2.gz GRYGUICLKPWKHW-VHSXEESVSA-N 1 0 294.229 1.141 20 5 CDBDRO CSc1ccc(C(=O)N[C@H]2C[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001122489504 913775769 /nfs/dbraw/zinc/77/57/69/913775769.db2.gz SMFIQPFONQZREK-KYZUINATSA-N 1 0 281.337 1.536 20 5 CDBDRO Cc1cc(NC(=O)C[C@@H]2CSCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC001122511585 913787582 /nfs/dbraw/zinc/78/75/82/913787582.db2.gz WEBBCMQFCBLLLA-LLVKDONJSA-N 1 0 295.364 1.937 20 5 CDBDRO [NH3+]Cc1cnc2c(ccn2-c2ncc([N+](=O)[O-])cn2)c1 ZINC001167301445 895167673 /nfs/dbraw/zinc/16/76/73/895167673.db2.gz GILOHKABNJHEKD-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO COC(=O)c1cccc(O[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC001218180391 898463065 /nfs/dbraw/zinc/46/30/65/898463065.db2.gz RXDAEZJXWUSCJB-QMMMGPOBSA-N 1 0 266.253 1.122 20 5 CDBDRO O=[N+]([O-])c1c(Cl)nccc1O[C@@H]1CCC[NH2+]C1 ZINC001218282792 898593942 /nfs/dbraw/zinc/59/39/42/898593942.db2.gz CYCSIBKIVBNYKB-SSDOTTSWSA-N 1 0 257.677 1.774 20 5 CDBDRO [NH3+]CCON[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897594 912035187 /nfs/dbraw/zinc/03/51/87/912035187.db2.gz ARULQLXBZURHCI-LBPRGKRZSA-N 1 0 265.313 1.322 20 5 CDBDRO Nc1cc(N[C@H]2CC[N@@H+](C3CCC3)C2)ncc1[N+](=O)[O-] ZINC001161177790 936412793 /nfs/dbraw/zinc/41/27/93/936412793.db2.gz UIRBVYFGKMGUMV-VIFPVBQESA-N 1 0 277.328 1.611 20 5 CDBDRO COc1cc(N[C@]2(C)CCC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC001162341505 922356253 /nfs/dbraw/zinc/35/62/53/922356253.db2.gz MFHAOBCCXAGZOE-CYBMUJFWSA-N 1 0 280.328 1.895 20 5 CDBDRO [NH3+]Cc1ccnn1-c1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001162597043 922794814 /nfs/dbraw/zinc/79/48/14/922794814.db2.gz AZWBFEVFPIZZIN-UHFFFAOYSA-N 1 0 258.241 1.116 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1-n1cc2c(n1)CC[C@@H]([NH3+])C2 ZINC001168815944 927446268 /nfs/dbraw/zinc/44/62/68/927446268.db2.gz MGIIZKDICWUNPN-SECBINFHSA-N 1 0 289.295 1.000 20 5 CDBDRO COc1cnc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)cc1[N+](=O)[O-] ZINC001168813827 927469983 /nfs/dbraw/zinc/46/99/83/927469983.db2.gz ZNBORWXHSPGIGW-SECBINFHSA-N 1 0 289.295 1.000 20 5 CDBDRO Cc1ccnc(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168977291 927562680 /nfs/dbraw/zinc/56/26/80/927562680.db2.gz JESDTMWMJOZXKU-STQMWFEESA-N 1 0 263.341 1.968 20 5 CDBDRO CN(C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168977732 927564180 /nfs/dbraw/zinc/56/41/80/927564180.db2.gz LNOZFJIUOXHAQI-RFGFWPKPSA-N 1 0 269.389 1.894 20 5 CDBDRO Cc1cnc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001168958864 927579433 /nfs/dbraw/zinc/57/94/33/927579433.db2.gz QMZFPLQGGDITKT-QWRGUYRKSA-N 1 0 250.302 1.320 20 5 CDBDRO Cc1ccnc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168964491 927585963 /nfs/dbraw/zinc/58/59/63/927585963.db2.gz UCXKRTAINJOOBI-QWRGUYRKSA-N 1 0 250.302 1.320 20 5 CDBDRO Cc1cccn2c(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)nnc12 ZINC001168964789 927586571 /nfs/dbraw/zinc/58/65/71/927586571.db2.gz WGBVVWRWFQYYQU-NEPJUHHUSA-N 1 0 289.339 1.573 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC001168965987 927588911 /nfs/dbraw/zinc/58/89/11/927588911.db2.gz FJSTYOMYUMNCTP-UONOGXRCSA-N 1 0 264.325 1.714 20 5 CDBDRO CC(C)(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cnccn1 ZINC001168965946 927589010 /nfs/dbraw/zinc/58/90/10/927589010.db2.gz DXGNDIFGFVEWGG-NWDGAFQWSA-N 1 0 278.356 1.789 20 5 CDBDRO NC(=O)c1ccccc1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968500 927590663 /nfs/dbraw/zinc/59/06/63/927590663.db2.gz ZRDFUPCHYOQNKG-JQWIXIFHSA-N 1 0 277.324 1.321 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC(F)(F)[C@@H](CO)C2)C1 ZINC001169005777 927608865 /nfs/dbraw/zinc/60/88/65/927608865.db2.gz DALRJLIGSBKSHK-MXWKQRLJSA-N 1 0 278.299 1.381 20 5 CDBDRO CCN(CC)CC[N@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006021 927609120 /nfs/dbraw/zinc/60/91/20/927609120.db2.gz FJTVKSDQABLALB-CHWSQXEVSA-N 1 0 257.378 1.705 20 5 CDBDRO CCN1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169006010 927609491 /nfs/dbraw/zinc/60/94/91/927609491.db2.gz FDZWYQYUCKQURB-OLZOCXBDSA-N 1 0 255.362 1.459 20 5 CDBDRO C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006380 927610916 /nfs/dbraw/zinc/61/09/16/927610916.db2.gz HGFONNCCKCABHS-LPWJVIDDSA-N 1 0 255.362 1.362 20 5 CDBDRO CN1CCC([N@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169007974 927611606 /nfs/dbraw/zinc/61/16/06/927611606.db2.gz QBZSUBUZSNKNAP-YPMHNXCESA-N 1 0 255.362 1.458 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(CCCO3)C2)C1 ZINC001169012178 927616172 /nfs/dbraw/zinc/61/61/72/927616172.db2.gz OOFBYPMFXPTOOU-FRRDWIJNSA-N 1 0 254.330 1.687 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3COC[C@@H]3C2)C1 ZINC001169014007 927619270 /nfs/dbraw/zinc/61/92/70/927619270.db2.gz XSMNURVRLUWRBK-NDBYEHHHSA-N 1 0 254.330 1.400 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1cc(F)cc(F)c1[N+](=O)[O-] ZINC001168987284 927621875 /nfs/dbraw/zinc/62/18/75/927621875.db2.gz JKIRKKVVNRKMBU-UHFFFAOYSA-N 1 0 283.238 1.263 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2c3ccccc3C[C@@H]2O)C1 ZINC001168987232 927622781 /nfs/dbraw/zinc/62/27/81/927622781.db2.gz HRFNPOHSVAOBQO-WCUVEOEZSA-N 1 0 276.336 1.680 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1nc(Cl)ccc1[N+](=O)[O-] ZINC001168987711 927624635 /nfs/dbraw/zinc/62/46/35/927624635.db2.gz XKXHTIMVFMCDCC-UHFFFAOYSA-N 1 0 282.691 1.034 20 5 CDBDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987529 927625231 /nfs/dbraw/zinc/62/52/31/927625231.db2.gz JLQZARRPDBKQAU-IMJJTQAJSA-N 1 0 292.379 1.933 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](n2ccnc2[C@H]2CCC[NH2+]C2)C1 ZINC001169036001 927643730 /nfs/dbraw/zinc/64/37/30/927643730.db2.gz FAJRFFBOEVWIDS-FRRDWIJNSA-N 1 0 278.356 1.968 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCn3cncc3C2)C1 ZINC001169037481 927647325 /nfs/dbraw/zinc/64/73/25/927647325.db2.gz RYJJQJCPHQFXMA-MNOVXSKESA-N 1 0 250.302 1.144 20 5 CDBDRO CC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169040239 927654627 /nfs/dbraw/zinc/65/46/27/927654627.db2.gz ZBGOGPPVEKEVJZ-JHJVBQTASA-N 1 0 254.330 1.733 20 5 CDBDRO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169025870 927667201 /nfs/dbraw/zinc/66/72/01/927667201.db2.gz ZNZDCFASTFRLGW-YDHLFZDLSA-N 1 0 295.383 1.519 20 5 CDBDRO CN(C)C(=O)NC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169050395 927669323 /nfs/dbraw/zinc/66/93/23/927669323.db2.gz ZGTWKKKTBPFELR-AAEUAGOBSA-N 1 0 298.387 1.167 20 5 CDBDRO O=C1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]12 ZINC001169057947 927675964 /nfs/dbraw/zinc/67/59/64/927675964.db2.gz ZIBRYQDQRMZTER-FDYHWXHSSA-N 1 0 266.341 1.733 20 5 CDBDRO [NH3+]Cc1cccc2c1cnn2-c1cccnc1[N+](=O)[O-] ZINC001169193307 927802910 /nfs/dbraw/zinc/80/29/10/927802910.db2.gz YZRBZJAKJJQDFI-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO [NH3+]Cc1cnnn1-c1cc2cccnc2c([N+](=O)[O-])c1 ZINC001169311865 927918903 /nfs/dbraw/zinc/91/89/03/927918903.db2.gz GTUDIXADZPLIKE-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO [NH3+]CCc1ccn(-c2cc(Cl)ncc2[N+](=O)[O-])n1 ZINC001156898526 929053721 /nfs/dbraw/zinc/05/37/21/929053721.db2.gz PTJHZZHDQWDFOK-UHFFFAOYSA-N 1 0 267.676 1.330 20 5 CDBDRO COc1cnc(N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)c([N+](=O)[O-])c1 ZINC001157266478 929410620 /nfs/dbraw/zinc/41/06/20/929410620.db2.gz SXJNPVLVEUSCOF-GWCFXTLKSA-N 1 0 292.339 1.529 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001170857627 930456559 /nfs/dbraw/zinc/45/65/59/930456559.db2.gz GPXXDLCERZDGGD-ZDUSSCGKSA-N 1 0 276.296 1.612 20 5 CDBDRO CCN(CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000218350511 930460406 /nfs/dbraw/zinc/46/04/06/930460406.db2.gz BNTQVPDRWCYJIQ-HNNXBMFYSA-N 1 0 293.367 1.702 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC001159749338 930804242 /nfs/dbraw/zinc/80/42/42/930804242.db2.gz XOWWECWOZSGPRB-GFCCVEGCSA-N 1 0 277.284 1.007 20 5 CDBDRO O=[N+]([O-])c1cccc(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)n1 ZINC001160737652 932085337 /nfs/dbraw/zinc/08/53/37/932085337.db2.gz QJNRUAJRWFHCMR-HTQZYQBOSA-N 1 0 290.245 1.942 20 5 CDBDRO Cc1c([N+](=O)[O-])ccc(=O)n1C[C@@H]1CCC[NH2+]C1 ZINC001118199933 937601898 /nfs/dbraw/zinc/60/18/98/937601898.db2.gz WTJXZQOBKUURMV-SNVBAGLBSA-N 1 0 251.286 1.065 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCC[C@H]([NH3+])C1 ZINC001154977802 937615419 /nfs/dbraw/zinc/61/54/19/937615419.db2.gz OUWPDCLRPLXZEW-IUCAKERBSA-N 1 0 294.311 1.458 20 5 CDBDRO COc1nc(C)nc(NC[C@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC001171327983 932680647 /nfs/dbraw/zinc/68/06/47/932680647.db2.gz KOQDZIRTIMRVJC-SECBINFHSA-N 1 0 281.316 1.256 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1N[C@H]1C[NH+]2CCC1CC2 ZINC001155667243 937661953 /nfs/dbraw/zinc/66/19/53/937661953.db2.gz GKXMZMVHNZPOLP-NSHDSACASA-N 1 0 263.301 1.078 20 5 CDBDRO C[NH+](C)C[C@H](CNCC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001120513184 937805583 /nfs/dbraw/zinc/80/55/83/937805583.db2.gz IMYHQJQSZBYZSG-LBPRGKRZSA-N 1 0 285.775 1.852 20 5 CDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC001121805450 937883365 /nfs/dbraw/zinc/88/33/65/937883365.db2.gz DWAYHUZIMNUQNK-JTQLQIEISA-N 1 0 297.359 1.016 20 5 CDBDRO CC(F)(F)C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001122574514 937943233 /nfs/dbraw/zinc/94/32/33/937943233.db2.gz UKAXERGEVKGEQY-UHFFFAOYSA-N 1 0 287.266 1.456 20 5 CDBDRO [NH3+][C@@H]1CCN(c2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001156228567 938338894 /nfs/dbraw/zinc/33/88/94/938338894.db2.gz GZRNAVXDFYIDNX-MRVPVSSYSA-N 1 0 259.269 1.075 20 5 CDBDRO Cc1ccnc(N2C[C@H]3[C@H](C2)CCC[N@H+]3C)c1[N+](=O)[O-] ZINC001157259689 938470555 /nfs/dbraw/zinc/47/05/55/938470555.db2.gz FJPFYHBNHUGPHO-RYUDHWBXSA-N 1 0 276.340 1.829 20 5 CDBDRO Cc1nc(N2CCC[C@@H]([NH3+])[C@@H]2C)ncc1[N+](=O)[O-] ZINC001157748605 938540260 /nfs/dbraw/zinc/54/02/60/938540260.db2.gz VXYDZJYTVXWQAY-DTWKUNHWSA-N 1 0 251.290 1.009 20 5 CDBDRO CC(C)Oc1nc(-n2ccc([C@@H](C)[NH3+])n2)ccc1[N+](=O)[O-] ZINC001158354815 938613517 /nfs/dbraw/zinc/61/35/17/938613517.db2.gz CTKASWVQBOEPBR-SECBINFHSA-N 1 0 291.311 1.982 20 5 CDBDRO COc1ncnc(NCC23CC[NH+](CC2)CC3)c1[N+](=O)[O-] ZINC001158827429 938667057 /nfs/dbraw/zinc/66/70/57/938667057.db2.gz RICXKYKYLIAGKR-UHFFFAOYSA-N 1 0 293.327 1.291 20 5 CDBDRO O=[N+]([O-])c1cc(N2CC[NH2+]C3(CC3)C2)nc2[nH]ccc21 ZINC001158938037 938680832 /nfs/dbraw/zinc/68/08/32/938680832.db2.gz LGCDPWOTDQXPNY-UHFFFAOYSA-N 1 0 273.296 1.413 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC3(C2)CCC[NH2+]C3)c1 ZINC001159018452 938690704 /nfs/dbraw/zinc/69/07/04/938690704.db2.gz RVYWGVZJQJBYHI-UHFFFAOYSA-N 1 0 282.731 1.833 20 5 CDBDRO O=[N+]([O-])c1ccc2ccc(N[C@H]3C[NH2+]C[C@H]3CO)nc2c1 ZINC001159673062 938744359 /nfs/dbraw/zinc/74/43/59/938744359.db2.gz UMUBABQCTFPMCN-GWCFXTLKSA-N 1 0 288.307 1.135 20 5 CDBDRO [NH3+]Cc1ccc2cn(-c3ncc([N+](=O)[O-])cc3F)nc2c1 ZINC001160140505 938770504 /nfs/dbraw/zinc/77/05/04/938770504.db2.gz DYQXADMRERZPQQ-UHFFFAOYSA-N 1 0 287.254 1.927 20 5 CDBDRO COc1cnc(-n2c(C[NH3+])cc3ccncc32)c([N+](=O)[O-])c1 ZINC001160960055 938850763 /nfs/dbraw/zinc/85/07/63/938850763.db2.gz YJFCYGXCOLOODE-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO [NH3+]C/C=C/CNC(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001160976749 938853121 /nfs/dbraw/zinc/85/31/21/938853121.db2.gz DIJCVAPXAATZSC-OWOJBTEDSA-N 1 0 292.673 1.797 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](Nc2ncnc3[nH]cc([N+](=O)[O-])c32)C1 ZINC001162393307 939043096 /nfs/dbraw/zinc/04/30/96/939043096.db2.gz JXYSOSWNJZUMPH-YUMQZZPRSA-N 1 0 276.300 1.548 20 5 CDBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001162455327 939058618 /nfs/dbraw/zinc/05/86/18/939058618.db2.gz RRKDCNQACZOUDF-ZJUUUORDSA-N 1 0 298.318 1.415 20 5 CDBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001162457832 939059875 /nfs/dbraw/zinc/05/98/75/939059875.db2.gz ROMYHLDUQNYABI-WDEREUQCSA-N 1 0 280.328 1.276 20 5 CDBDRO O=[N+]([O-])c1c(N[C@@H]2CCCC[C@H]2F)ncnc1C1C[NH2+]C1 ZINC001162508786 939075058 /nfs/dbraw/zinc/07/50/58/939075058.db2.gz SVDVILFPZBMQMK-NXEZZACHSA-N 1 0 295.318 1.764 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@]1(F)CCCC[NH2+]C1 ZINC001162572696 939090261 /nfs/dbraw/zinc/09/02/61/939090261.db2.gz JZXJPLILLSIJLX-ZDUSSCGKSA-N 1 0 298.318 1.892 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)nc1N[C@@H]1C=C[C@@H]2C[NH2+]C[C@H]12 ZINC001162790487 939140528 /nfs/dbraw/zinc/14/05/28/939140528.db2.gz UJJKGTRQYCXHOX-GJMOJQLCSA-N 1 0 281.703 1.224 20 5 CDBDRO Nc1nc(NC2CC3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001162982220 939168779 /nfs/dbraw/zinc/16/87/79/939168779.db2.gz SYLHPLAJQYCQET-UHFFFAOYSA-N 1 0 277.328 1.516 20 5 CDBDRO Cc1c(F)cc([N+](=O)[O-])cc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163146997 939213325 /nfs/dbraw/zinc/21/33/25/939213325.db2.gz AXASYPPDJQGYTB-OASPWFOLSA-N 1 0 281.287 1.441 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc1 ZINC001163268070 939236595 /nfs/dbraw/zinc/23/65/95/939236595.db2.gz ACILBWKXCFFSAH-BXUZGUMPSA-N 1 0 292.339 1.560 20 5 CDBDRO C[NH2+]C1CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])C1 ZINC001163700934 939310659 /nfs/dbraw/zinc/31/06/59/939310659.db2.gz FOANJBZBXGHDDX-UHFFFAOYSA-N 1 0 278.099 1.100 20 5 CDBDRO C[NH2+]C1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C1 ZINC001163702772 939310676 /nfs/dbraw/zinc/31/06/76/939310676.db2.gz ONWIHJFQTUVMDI-UHFFFAOYSA-N 1 0 292.673 1.596 20 5 CDBDRO C[NH2+]CCN(C)c1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001163719312 939314407 /nfs/dbraw/zinc/31/44/07/939314407.db2.gz XNAOXSJKJSWCMI-UHFFFAOYSA-N 1 0 279.127 1.952 20 5 CDBDRO CC[N@@H+]1CCCN(c2ncc(OC)cc2[N+](=O)[O-])CC1 ZINC001163774677 939328192 /nfs/dbraw/zinc/32/81/92/939328192.db2.gz PAOQPVLQJNYAAH-UHFFFAOYSA-N 1 0 280.328 1.530 20 5 CDBDRO [NH3+]CCN(CCO)c1cc2ccccc2c([N+](=O)[O-])c1 ZINC001163839248 939340251 /nfs/dbraw/zinc/34/02/51/939340251.db2.gz GUWZPPZISQWARZ-UHFFFAOYSA-N 1 0 275.308 1.505 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1N(CCC[NH3+])C(C)C ZINC001164122681 939413429 /nfs/dbraw/zinc/41/34/29/939413429.db2.gz MNXQFWVARKUBEG-UHFFFAOYSA-N 1 0 268.317 1.562 20 5 CDBDRO Cc1cc(N2CC[C@@H]([NH3+])C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001164280714 939445205 /nfs/dbraw/zinc/44/52/05/939445205.db2.gz FKJHCKFZNFHPNP-GFCCVEGCSA-N 1 0 299.334 1.898 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3cc(Cl)cc([N+](=O)[O-])n3)C[C@H]2C1 ZINC001165149180 939519153 /nfs/dbraw/zinc/51/91/53/939519153.db2.gz NQQJBTWMMSHCTL-DTORHVGOSA-N 1 0 282.731 1.641 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@@H]4[NH2+]CC[C@H]43)nc21 ZINC001165299958 939542988 /nfs/dbraw/zinc/54/29/88/939542988.db2.gz USYRODWDYNPWRH-WCBMZHEXSA-N 1 0 273.296 1.412 20 5 CDBDRO Cc1nc(N2CCCCC23CC[NH2+]CC3)ncc1[N+](=O)[O-] ZINC001165340055 939548355 /nfs/dbraw/zinc/54/83/55/939548355.db2.gz KWINHOLHCGWNTA-UHFFFAOYSA-N 1 0 291.355 1.806 20 5 CDBDRO CN(c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])C(C)(C)C ZINC001166530140 939610896 /nfs/dbraw/zinc/61/08/96/939610896.db2.gz PTVBSUYEEHMWRV-UHFFFAOYSA-N 1 0 294.359 1.029 20 5 CDBDRO COc1cc(N2CC[C@@H]([NH3+])C(F)(F)C2)ncc1[N+](=O)[O-] ZINC001166961153 939661335 /nfs/dbraw/zinc/66/13/35/939661335.db2.gz NCJAGGBTMCZUFV-SECBINFHSA-N 1 0 288.254 1.171 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCc1cccc2nonc21 ZINC001210121667 940664556 /nfs/dbraw/zinc/66/45/56/940664556.db2.gz HLVODZVSWQBNGC-JTQLQIEISA-N 1 0 250.322 1.834 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCOCc1ccccc1 ZINC001210498200 940695031 /nfs/dbraw/zinc/69/50/31/940695031.db2.gz SJQZRABYUXRADW-OAHLLOKOSA-N 1 0 296.387 1.204 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@](C)([NH3+])C2)c1 ZINC000405825377 940998032 /nfs/dbraw/zinc/99/80/32/940998032.db2.gz LSDASTUZTIOVAU-ZDUSSCGKSA-N 1 0 263.297 1.467 20 5 CDBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1ccc(N)c([N+](=O)[O-])c1 ZINC001217995814 941034324 /nfs/dbraw/zinc/03/43/24/941034324.db2.gz NXESZQPSLVQJHU-RNCFNFMXSA-N 1 0 265.313 1.944 20 5 CDBDRO CC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1CC[NH2+]C1 ZINC001218180968 941042349 /nfs/dbraw/zinc/04/23/49/941042349.db2.gz AKVRUVGWIGVDCG-VIFPVBQESA-N 1 0 250.254 1.538 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CCC[NH2+]C2)c1 ZINC001218281280 941050636 /nfs/dbraw/zinc/05/06/36/941050636.db2.gz CSSUHMQXMXKVPD-JTQLQIEISA-N 1 0 280.280 1.512 20 5 CDBDRO COC(=O)[C@H](OCC[N+](C)(C)C)c1ccccc1F ZINC001224773131 941790371 /nfs/dbraw/zinc/79/03/71/941790371.db2.gz FBTDLBUJCHVPRT-CYBMUJFWSA-N 1 0 270.324 1.763 20 5 CDBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OCC[N+](C)(C)C ZINC001224772262 941790496 /nfs/dbraw/zinc/79/04/96/941790496.db2.gz YFMOVIJEBCVLOX-CHWSQXEVSA-N 1 0 287.424 1.965 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Cl)cc1C(N)=O ZINC001225521776 941874405 /nfs/dbraw/zinc/87/44/05/941874405.db2.gz UGILQZXWVRRWCU-VIFPVBQESA-O 1 0 271.768 1.912 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(O[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001225598930 941886830 /nfs/dbraw/zinc/88/68/30/941886830.db2.gz ZAWQBCBVHASEQP-VIFPVBQESA-N 1 0 281.268 1.894 20 5 CDBDRO CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])nc2)CC1 ZINC001226710809 942054369 /nfs/dbraw/zinc/05/43/69/942054369.db2.gz VSBUSPSIYGIGDD-UHFFFAOYSA-N 1 0 251.286 1.853 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])nc2)C1 ZINC001226712175 942054353 /nfs/dbraw/zinc/05/43/53/942054353.db2.gz IZIDFRWRVYMESI-LLVKDONJSA-N 1 0 267.285 1.089 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1n[nH]c(=O)c2c1CCCC2 ZINC001229221720 942435602 /nfs/dbraw/zinc/43/56/02/942435602.db2.gz WQTTVAOYIZZOAM-SNVBAGLBSA-O 1 0 266.365 1.535 20 5 CDBDRO C[N@@H+]1CC[C@H](Oc2n[nH]c(=O)c3ccc([N+](=O)[O-])cc32)C1 ZINC001229362171 942459572 /nfs/dbraw/zinc/45/95/72/942459572.db2.gz QYPSEABPKNMTSR-VIFPVBQESA-N 1 0 290.279 1.327 20 5 CDBDRO COC(=O)Cc1cccc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001229753836 942526139 /nfs/dbraw/zinc/52/61/39/942526139.db2.gz HJXQYZQLVAQPIC-GFCCVEGCSA-N 1 0 266.361 1.876 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1-c1nn[nH]n1 ZINC001229955349 942558582 /nfs/dbraw/zinc/55/85/82/942558582.db2.gz VBEUSTVIHNQHLC-JTQLQIEISA-N 1 0 262.337 1.340 20 5 CDBDRO C[N@@H+]1CC[C@H](Oc2ccc(Cl)nc2[N+](=O)[O-])C1 ZINC001230871924 942718188 /nfs/dbraw/zinc/71/81/88/942718188.db2.gz HTVNTMOQMBWKMI-ZETCQYMHSA-N 1 0 257.677 1.726 20 5 CDBDRO C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)C[C@H](C)[N@H+]1C ZINC001262697565 943673455 /nfs/dbraw/zinc/67/34/55/943673455.db2.gz RIXPEVJNFAIPHI-DTORHVGOSA-N 1 0 265.317 1.101 20 5 CDBDRO COC(=O)c1cnc(OC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001233859271 943674297 /nfs/dbraw/zinc/67/42/97/943674297.db2.gz KWHDHNVHWUBOGT-UHFFFAOYSA-N 1 0 295.295 1.249 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2c1CSC2 ZINC001233894433 943684810 /nfs/dbraw/zinc/68/48/10/943684810.db2.gz ABHLVCVYERSTMN-VIFPVBQESA-N 1 0 254.379 1.697 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2ccc(C(=O)OC)c([N+](=O)[O-])c2)C1 ZINC001234050922 943727263 /nfs/dbraw/zinc/72/72/63/943727263.db2.gz MYGCRHULANJNME-LLVKDONJSA-N 1 0 294.307 1.854 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH3+] ZINC001263107313 943749317 /nfs/dbraw/zinc/74/93/17/943749317.db2.gz TVZXOWRLIMIYAF-ZETCQYMHSA-N 1 0 269.326 1.394 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[NH2+]C[C@H]2C)c1C ZINC001263186443 943779455 /nfs/dbraw/zinc/77/94/55/943779455.db2.gz CQPMTCWKGBDKLK-MWLCHTKSSA-N 1 0 277.324 1.549 20 5 CDBDRO Cc1nccc([N+](=O)[O-])c1O[C@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001234900339 943968647 /nfs/dbraw/zinc/96/86/47/943968647.db2.gz IXSBTTHKPLFBSE-BIMULSAOSA-N 1 0 291.307 1.481 20 5 CDBDRO CCC[C@](C)(O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001262565296 946715658 /nfs/dbraw/zinc/71/56/58/946715658.db2.gz HVEQBULGBLGULI-KBPBESRZSA-N 1 0 282.340 1.769 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCO[C@H](CO)C1 ZINC001254553164 947522374 /nfs/dbraw/zinc/52/23/74/947522374.db2.gz UAOZAKVGMBCVIT-AAEUAGOBSA-N 1 0 280.324 1.219 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](O)[C@H](F)C1 ZINC001254553801 947525414 /nfs/dbraw/zinc/52/54/14/947525414.db2.gz ZNXCCRDDBDUNNF-MPKXVKKWSA-N 1 0 282.315 1.931 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](C)(O)C1 ZINC001254553834 947525902 /nfs/dbraw/zinc/52/59/02/947525902.db2.gz ZQIUUIKSIBOBNI-RISCZKNCSA-N 1 0 264.325 1.983 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC2(C1)C[NH+](C)C2 ZINC001254571649 947530262 /nfs/dbraw/zinc/53/02/62/947530262.db2.gz ZTCNKIWAYIIXGJ-GFCCVEGCSA-N 1 0 275.352 1.773 20 5 CDBDRO Cc1noc(CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254573000 947532139 /nfs/dbraw/zinc/53/21/39/947532139.db2.gz VENVOOYBHUAOJF-GFCCVEGCSA-N 1 0 288.307 1.586 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)C2 ZINC001254579112 947537423 /nfs/dbraw/zinc/53/74/23/947537423.db2.gz PRYNXRFWKTUPJT-MWLCHTKSSA-N 1 0 290.241 1.575 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H](CO)[C@H]1CCOC1)C2 ZINC001254582418 947540450 /nfs/dbraw/zinc/54/04/50/947540450.db2.gz UENBFQMIZYQPBX-LNSITVRQSA-N 1 0 292.335 1.049 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@H]1CO)C2 ZINC001254594594 947546147 /nfs/dbraw/zinc/54/61/47/947546147.db2.gz RSFWVMCOHTVFGX-ZIAGYGMSSA-N 1 0 262.309 1.519 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@@H](O)C1)C2 ZINC001254600245 947551093 /nfs/dbraw/zinc/55/10/93/947551093.db2.gz RFYPLHNGOUHZTC-UONOGXRCSA-N 1 0 262.309 1.519 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000723804982 948153089 /nfs/dbraw/zinc/15/30/89/948153089.db2.gz HGSXPWQQNBZIMI-KOLCDFICSA-N 1 0 263.297 1.180 20 5 CDBDRO [NH3+][C@@H]1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC(F)(F)C1 ZINC001246590415 948323111 /nfs/dbraw/zinc/32/31/11/948323111.db2.gz UOCKNLPINKZNMP-GUBZILKMSA-N 1 0 263.288 1.100 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001246923729 948522068 /nfs/dbraw/zinc/52/20/68/948522068.db2.gz ZAQBMBFHSRAOCE-OSMZGAPFSA-N 1 0 261.325 1.429 20 5 CDBDRO O=C1CC[C@@H](CN2CCc3ccc([N+](=O)[O-])cc3C2)N1 ZINC001326711399 954505717 /nfs/dbraw/zinc/50/57/17/954505717.db2.gz XNDJNLXXLSVMER-LBPRGKRZSA-N 1 0 275.308 1.232 20 5 CDBDRO Cc1nc(N(C)CC[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC001326765406 954534932 /nfs/dbraw/zinc/53/49/32/954534932.db2.gz QSDCOCZHQXQLSA-UHFFFAOYSA-N 1 0 279.344 1.615 20 5 CDBDRO O=C(Nc1ccc2c[nH+]cn2c1)c1cc([N+](=O)[O-])c[nH]1 ZINC001304166317 956179755 /nfs/dbraw/zinc/17/97/55/956179755.db2.gz WCVZGIIZKZZRGI-UHFFFAOYSA-N 1 0 271.236 1.823 20 5 CDBDRO C[C@H]1[C@@H](O)CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001308065462 956466686 /nfs/dbraw/zinc/46/66/86/956466686.db2.gz ALFKLWKJXXPLHK-LEWSCRJBSA-N 1 0 280.324 1.473 20 5 CDBDRO O=[N+]([O-])CC[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC001333208098 958158352 /nfs/dbraw/zinc/15/83/52/958158352.db2.gz JQRNRHDAZPARRG-LBPRGKRZSA-N 1 0 250.298 1.664 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@H]1COc2c(F)cc(F)cc2C1 ZINC001335326373 959711658 /nfs/dbraw/zinc/71/16/58/959711658.db2.gz FGHAVCDFVILLCB-SECBINFHSA-N 1 0 258.224 1.135 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@]2(O)CCSC2)c1 ZINC001336802375 960603771 /nfs/dbraw/zinc/60/37/71/960603771.db2.gz CJOKIKWDHZUZGY-OLZOCXBDSA-N 1 0 298.364 1.086 20 5 CDBDRO C[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@H](C)[NH2+]1 ZINC001339479331 962380984 /nfs/dbraw/zinc/38/09/84/962380984.db2.gz DNFZWFKVNDOOFZ-AOOOYVTPSA-N 1 0 276.340 1.749 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[NH3+] ZINC001340281707 962855235 /nfs/dbraw/zinc/85/52/35/962855235.db2.gz HWNHIIMGZUUFNP-ZETCQYMHSA-N 1 0 269.326 1.394 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])cc1[N+](=O)[O-] ZINC001343015777 963885592 /nfs/dbraw/zinc/88/55/92/963885592.db2.gz WBHXTAJQBDYVQD-SWLSCSKDSA-N 1 0 289.335 1.857 20 5 CDBDRO Cc1cccc(C(=O)NC2CC3(CC([NH3+])C3)C2)c1[N+](=O)[O-] ZINC001343441413 963984789 /nfs/dbraw/zinc/98/47/89/963984789.db2.gz IDUXSJGORQXVEC-UHFFFAOYSA-N 1 0 289.335 1.903 20 5 CDBDRO CC[C@@]1(c2nc(-c3ccc([N+](=O)[O-])o3)no2)CC[NH2+]C1 ZINC001345957972 964871077 /nfs/dbraw/zinc/87/10/77/964871077.db2.gz QYJVLJXVZDKPAZ-GFCCVEGCSA-N 1 0 278.268 1.879 20 5 CDBDRO CC[C@]1(c2nc(CCC(C)(C)[N+](=O)[O-])no2)CC[NH2+]C1 ZINC001345957793 964871688 /nfs/dbraw/zinc/87/16/88/964871688.db2.gz OYBJOYMLZSPRDM-ZDUSSCGKSA-N 1 0 282.344 1.699 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CN3CCC2CC3)c1 ZINC001346179250 964971414 /nfs/dbraw/zinc/97/14/14/964971414.db2.gz INVMNFICFHBMPV-HUUCEWRRSA-N 1 0 291.351 1.312 20 5 CDBDRO Cc1cc(NC(=O)NCC[NH+]2CC=CC2)cc([N+](=O)[O-])c1 ZINC001350263010 966618978 /nfs/dbraw/zinc/61/89/78/966618978.db2.gz UJNPJZQIKZSDJR-UHFFFAOYSA-N 1 0 290.323 1.897 20 5 CDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001355093635 969044360 /nfs/dbraw/zinc/04/43/60/969044360.db2.gz GYWUWYFWTDXWAQ-VHSXEESVSA-N 1 0 293.298 1.415 20 5 CDBDRO [NH3+]Cc1ccn(-c2nc(Cl)nc(Cl)c2[N+](=O)[O-])c1 ZINC001158764681 1163549818 /nfs/dbraw/zinc/54/98/18/1163549818.db2.gz VHYZGDJESPPONP-UHFFFAOYSA-N 1 0 288.094 1.941 20 5 CDBDRO CCc1nn(C)c(NCCc2nccn2C)c1[N+](=O)[O-] ZINC000091560632 1174299588 /nfs/dbraw/zinc/29/95/88/1174299588.db2.gz QUIGFFVEZWBVRM-UHFFFAOYSA-N 1 0 278.316 1.279 20 5 CDBDRO Cc1nc(N2CC[N@@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000601187077 342489465 /nfs/dbraw/zinc/48/94/65/342489465.db2.gz NKDSDIFQLMYMSJ-UHFFFAOYSA-N 1 0 264.329 1.829 20 5 CDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000590403659 342544029 /nfs/dbraw/zinc/54/40/29/342544029.db2.gz LWIMDZYEFQNDKD-DTWKUNHWSA-N 1 0 283.353 1.821 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1NCC[N@H+]1CC[C@H](O)C1 ZINC000599202927 343980823 /nfs/dbraw/zinc/98/08/23/343980823.db2.gz SFXCIUXLKHKSES-JTQLQIEISA-N 1 0 285.731 1.727 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3C[C@H]2C[NH2+]3)c(F)c1 ZINC000601327243 342554150 /nfs/dbraw/zinc/55/41/50/342554150.db2.gz MRIOHLYZJUCIFY-ONGXEEELSA-N 1 0 251.261 1.280 20 5 CDBDRO O=[N+]([O-])c1cc(CN[C@]23CCC[C@@H]2C[NH2+]C3)cs1 ZINC000601328095 342554337 /nfs/dbraw/zinc/55/43/37/342554337.db2.gz GTFBZOMDYWLVQF-PWSUYJOCSA-N 1 0 267.354 1.888 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc(N)c([N+](=O)[O-])n3)[C@@H]2C1 ZINC000590582738 342576753 /nfs/dbraw/zinc/57/67/53/342576753.db2.gz TYZWMFVMRCRQLG-MWLCHTKSSA-N 1 0 277.328 1.102 20 5 CDBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1COCCO1 ZINC000590702471 342582331 /nfs/dbraw/zinc/58/23/31/342582331.db2.gz ZPWGEOZRFSOWIV-ZDUSSCGKSA-N 1 0 266.297 1.442 20 5 CDBDRO CC(C)OCC[C@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000565298884 365623339 /nfs/dbraw/zinc/62/33/39/365623339.db2.gz AUTYDJQWJWUSTQ-AWEZNQCLSA-N 1 0 296.367 1.903 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000608915195 342084395 /nfs/dbraw/zinc/08/43/95/342084395.db2.gz MVVUCTUSVLXPBP-JTQLQIEISA-N 1 0 282.344 1.393 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](C3CCC3)C2)c1 ZINC000591061999 342615030 /nfs/dbraw/zinc/61/50/30/342615030.db2.gz QNCGPBJMXMVOGM-GFCCVEGCSA-N 1 0 264.329 1.913 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000117202930 342621738 /nfs/dbraw/zinc/62/17/38/342621738.db2.gz QNXXGNKEFSLXCK-GJZGRUSLSA-N 1 0 291.351 1.630 20 5 CDBDRO Cc1nn(C)c(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000591444689 342632606 /nfs/dbraw/zinc/63/26/06/342632606.db2.gz FELBPRMLUTXCQA-VXGBXAGGSA-N 1 0 293.371 1.463 20 5 CDBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1C[C@@H](O)C1 ZINC000591473437 342634452 /nfs/dbraw/zinc/63/44/52/342634452.db2.gz XGWLKXBWOGYQLU-BJHJDKERSA-N 1 0 250.298 1.798 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC([NH+](C)C)C2)n1 ZINC000611617297 346838110 /nfs/dbraw/zinc/83/81/10/346838110.db2.gz DWNKEPHPEXBYDL-UHFFFAOYSA-N 1 0 250.302 1.357 20 5 CDBDRO Cc1c(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000592244434 342681051 /nfs/dbraw/zinc/68/10/51/342681051.db2.gz BZZJVWCIICKQGL-CYBMUJFWSA-N 1 0 291.351 1.973 20 5 CDBDRO CCC[NH+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000058848032 342153585 /nfs/dbraw/zinc/15/35/85/342153585.db2.gz NAQNXTYVSHAUOI-UHFFFAOYSA-N 1 0 291.351 1.692 20 5 CDBDRO O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CC[NH2+]C1 ZINC000592158489 342670524 /nfs/dbraw/zinc/67/05/24/342670524.db2.gz HIWVTPCCRVHXCE-VIFPVBQESA-N 1 0 290.279 1.021 20 5 CDBDRO O=c1c2ccccc2n(C[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000592166158 342671325 /nfs/dbraw/zinc/67/13/25/342671325.db2.gz HHQNODPJRAQMSS-JTQLQIEISA-N 1 0 273.292 1.519 20 5 CDBDRO [NH3+]C1(CC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000592136370 342672628 /nfs/dbraw/zinc/67/26/28/342672628.db2.gz MGJDRAPUZVSPDF-UHFFFAOYSA-N 1 0 293.323 1.361 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592438937 342693002 /nfs/dbraw/zinc/69/30/02/342693002.db2.gz WGGFWWKBEVAOQN-ZJUUUORDSA-N 1 0 295.339 1.581 20 5 CDBDRO COCC[N@H+](C)CCCNc1ncccc1[N+](=O)[O-] ZINC000126347131 342175474 /nfs/dbraw/zinc/17/54/74/342175474.db2.gz YEZSLURHYIRBSK-UHFFFAOYSA-N 1 0 268.317 1.370 20 5 CDBDRO COC[C@H]1C[C@@H](O)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000593066354 342761833 /nfs/dbraw/zinc/76/18/33/342761833.db2.gz MJSSZMWMCOZHKV-VXGBXAGGSA-N 1 0 296.323 1.055 20 5 CDBDRO C[C@H]([NH2+][C@H](CO)CCF)c1ccc([N+](=O)[O-])cc1 ZINC000593719406 342828767 /nfs/dbraw/zinc/82/87/67/342828767.db2.gz XMYVEEWEYRXGQC-ONGXEEELSA-N 1 0 256.277 1.966 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000382462918 361932096 /nfs/dbraw/zinc/93/20/96/361932096.db2.gz XUYZTGXLXXOIPJ-MNOVXSKESA-N 1 0 277.324 1.760 20 5 CDBDRO Cc1n[nH]c(C(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])c1[N+](=O)[O-] ZINC000593917406 342851177 /nfs/dbraw/zinc/85/11/77/342851177.db2.gz VQEQSJOAICKLNV-WCBMZHEXSA-N 1 0 295.343 1.216 20 5 CDBDRO CC(C)(O)CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000081644476 342215414 /nfs/dbraw/zinc/21/54/14/342215414.db2.gz LEZJSJPOEFYJRC-UHFFFAOYSA-N 1 0 293.367 1.878 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](OC3CCC3)C2)c1 ZINC000594026118 342867365 /nfs/dbraw/zinc/86/73/65/342867365.db2.gz CYJJSBBFZDWMTF-AWEZNQCLSA-N 1 0 294.355 1.825 20 5 CDBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000594388670 342894160 /nfs/dbraw/zinc/89/41/60/342894160.db2.gz ADAHWXFAZPWEFO-UHFFFAOYSA-N 1 0 294.355 1.869 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000594427138 342897183 /nfs/dbraw/zinc/89/71/83/342897183.db2.gz GJOOZCPLWISFHX-DZGCQCFKSA-N 1 0 289.335 1.601 20 5 CDBDRO COc1ccc(CN(C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000384899770 539068647 /nfs/dbraw/zinc/06/86/47/539068647.db2.gz WHIYDTWBLFLNTK-UHFFFAOYSA-N 1 0 265.313 1.525 20 5 CDBDRO COc1ccc(CN[C@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600677281 342241828 /nfs/dbraw/zinc/24/18/28/342241828.db2.gz BXLHXUKTAYNEFV-PWSUYJOCSA-N 1 0 279.340 1.834 20 5 CDBDRO CO[C@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000600759805 342247896 /nfs/dbraw/zinc/24/78/96/342247896.db2.gz IBJQTZIOHZABRF-SRVKXCTJSA-N 1 0 296.323 1.102 20 5 CDBDRO C[NH2+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600824801 342251595 /nfs/dbraw/zinc/25/15/95/342251595.db2.gz QASSJOWTDJCXSP-UHFFFAOYSA-N 1 0 263.297 1.467 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)CC(N)=O ZINC000595021111 342996339 /nfs/dbraw/zinc/99/63/39/342996339.db2.gz PRNLUOICUOFMFS-BDAKNGLRSA-N 1 0 281.312 1.518 20 5 CDBDRO Cc1cc(N2CC[NH+](C(C)C)CC2)ncc1[N+](=O)[O-] ZINC000074739661 342303640 /nfs/dbraw/zinc/30/36/40/342303640.db2.gz BDBKSDIRUNZSNY-UHFFFAOYSA-N 1 0 264.329 1.829 20 5 CDBDRO Cc1cc(NC(=O)NCC23CC(C2)C[NH2+]3)ccc1[N+](=O)[O-] ZINC000595231422 343009678 /nfs/dbraw/zinc/00/96/78/343009678.db2.gz SZDXKNZFTKASJA-UHFFFAOYSA-N 1 0 290.323 1.777 20 5 CDBDRO Cc1noc(CN2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000595292035 343024843 /nfs/dbraw/zinc/02/48/43/343024843.db2.gz TXHNFEJCHNDNCB-UHFFFAOYSA-N 1 0 294.355 1.951 20 5 CDBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CNC(=O)C1 ZINC000595296054 343026576 /nfs/dbraw/zinc/02/65/76/343026576.db2.gz WWBGZDHHDUVBBW-ZDUSSCGKSA-N 1 0 291.351 1.941 20 5 CDBDRO C[C@@H]1CCC[C@@H](C)[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075767319 342317137 /nfs/dbraw/zinc/31/71/37/342317137.db2.gz OQNVLSUAKNMOFG-BZPMIXESSA-N 1 0 296.371 1.663 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1=CCCOC1 ZINC000595747627 343151264 /nfs/dbraw/zinc/15/12/64/343151264.db2.gz PBDKAJBDSPSOMV-UHFFFAOYSA-N 1 0 293.323 1.035 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000595967816 343198725 /nfs/dbraw/zinc/19/87/25/343198725.db2.gz WKSJHFDFXUMEQL-GFCCVEGCSA-N 1 0 279.340 1.944 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1CCC[NH3+] ZINC000595974338 343201753 /nfs/dbraw/zinc/20/17/53/343201753.db2.gz SZXFHGFXAYGJQD-ZWNOBZJWSA-N 1 0 294.355 1.903 20 5 CDBDRO [NH3+]C1(CNC(=O)c2csc([N+](=O)[O-])c2)CCCC1 ZINC000595942393 343204362 /nfs/dbraw/zinc/20/43/62/343204362.db2.gz XBSLBWRPYWQSNK-UHFFFAOYSA-N 1 0 269.326 1.658 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595920260 343191639 /nfs/dbraw/zinc/19/16/39/343191639.db2.gz PINNDNYOZRERSN-CABZTGNLSA-N 1 0 265.313 1.770 20 5 CDBDRO O=c1[nH]ccc(N2CCC[C@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000596112219 343230413 /nfs/dbraw/zinc/23/04/13/343230413.db2.gz JYPCCYSNAUNGMM-JTQLQIEISA-N 1 0 289.295 1.733 20 5 CDBDRO C[C@@H](O)CC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083213331 342376679 /nfs/dbraw/zinc/37/66/79/342376679.db2.gz UFNWQQWGRHEFFP-SECBINFHSA-N 1 0 279.296 1.939 20 5 CDBDRO Nc1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)nc1[N+](=O)[O-] ZINC000596298616 343291665 /nfs/dbraw/zinc/29/16/65/343291665.db2.gz YXEIUGGHOIVMCL-NEPJUHHUSA-N 1 0 291.355 1.423 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596571737 343352700 /nfs/dbraw/zinc/35/27/00/343352700.db2.gz ZKWXFHKSXHSBHH-LBPRGKRZSA-N 1 0 293.371 1.862 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCCCC1 ZINC000144461987 342435557 /nfs/dbraw/zinc/43/55/57/342435557.db2.gz PNSAIBQUIFIICC-UHFFFAOYSA-N 1 0 280.328 1.149 20 5 CDBDRO C[C@@H](CC[S@@](C)=O)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000128277279 342448962 /nfs/dbraw/zinc/44/89/62/342448962.db2.gz SMXWRKYGGXPUSP-WLRWDXFRSA-N 1 0 284.381 1.884 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000566007408 365769762 /nfs/dbraw/zinc/76/97/62/365769762.db2.gz YHYBSOQIRRNNJW-UBHSHLNASA-N 1 0 294.355 1.417 20 5 CDBDRO CO[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000276963733 362250640 /nfs/dbraw/zinc/25/06/40/362250640.db2.gz XIVUPTBRALFLFA-OKILXGFUSA-N 1 0 296.323 1.319 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCN2CC[C@H](O)C2)c(Cl)c1 ZINC000599019579 343940648 /nfs/dbraw/zinc/94/06/48/343940648.db2.gz RWJZSHUWCWDOSJ-LBPRGKRZSA-N 1 0 299.758 1.404 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000598915806 343920132 /nfs/dbraw/zinc/92/01/32/343920132.db2.gz PKRIMEBFAVJTQC-BDAKNGLRSA-N 1 0 296.302 1.996 20 5 CDBDRO COc1cc(OC[C@H](O)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000515339610 362296877 /nfs/dbraw/zinc/29/68/77/362296877.db2.gz NHVZSLHDQWBXFE-LLVKDONJSA-N 1 0 298.339 1.683 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000052013335 362273589 /nfs/dbraw/zinc/27/35/89/362273589.db2.gz ZSKVDGXBGIXIIR-DGCLKSJQSA-N 1 0 280.324 1.997 20 5 CDBDRO C[C@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000252162896 344064220 /nfs/dbraw/zinc/06/42/20/344064220.db2.gz QBOXLTNBAJYVPT-OWTLIXCDSA-N 1 0 296.371 1.567 20 5 CDBDRO CCN(CC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000599603044 344100742 /nfs/dbraw/zinc/10/07/42/344100742.db2.gz DEYUZMOTTCOKQJ-UHFFFAOYSA-N 1 0 282.300 1.416 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000601974933 344299202 /nfs/dbraw/zinc/29/92/02/344299202.db2.gz TYFURVKGZOTVOF-BETUJISGSA-N 1 0 262.309 1.716 20 5 CDBDRO O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)c1cc(F)cc([N+](=O)[O-])c1 ZINC000601972054 344300520 /nfs/dbraw/zinc/30/05/20/344300520.db2.gz BOKMKJFVRMDCTJ-YGRLFVJLSA-N 1 0 293.298 1.606 20 5 CDBDRO O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)c1ccc([N+](=O)[O-])o1 ZINC000601973106 344300922 /nfs/dbraw/zinc/30/09/22/344300922.db2.gz HPFIOHPFFGNYMZ-PELKAZGASA-N 1 0 265.269 1.060 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000602598958 344503947 /nfs/dbraw/zinc/50/39/47/344503947.db2.gz MAVDGFIZUJEENK-VXNVDRBHSA-N 1 0 283.715 1.810 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000602599469 344503998 /nfs/dbraw/zinc/50/39/98/344503998.db2.gz PRAREMJOJAGOFZ-HOMQSWHASA-N 1 0 295.314 1.981 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)C2CCOCC2)cc1 ZINC000602546195 344462256 /nfs/dbraw/zinc/46/22/56/344462256.db2.gz GTWQCXNBJXZPPC-OAHLLOKOSA-N 1 0 294.351 1.514 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000602594423 344480535 /nfs/dbraw/zinc/48/05/35/344480535.db2.gz BUUMMCYCPOLKSI-GHMZBOCLSA-N 1 0 293.323 1.312 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000602594678 344486291 /nfs/dbraw/zinc/48/62/91/344486291.db2.gz CBXSYSNJOPFIQO-KOLCDFICSA-N 1 0 263.297 1.085 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[NH2+]C2)c2ncccc12 ZINC000052093860 362401115 /nfs/dbraw/zinc/40/11/15/362401115.db2.gz HXDUDMHESGQJHR-SECBINFHSA-N 1 0 258.281 1.917 20 5 CDBDRO CSCCC[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602824315 344610997 /nfs/dbraw/zinc/61/09/97/344610997.db2.gz HYQDNOIMGMUTHF-UHFFFAOYSA-N 1 0 272.374 1.785 20 5 CDBDRO CO[C@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602826864 344612365 /nfs/dbraw/zinc/61/23/65/344612365.db2.gz OHWIZTPOCXUMAY-PWSUYJOCSA-N 1 0 282.344 1.599 20 5 CDBDRO C[N@H+](CCC1CCOCC1)CCn1ccc([N+](=O)[O-])n1 ZINC000120548568 362459457 /nfs/dbraw/zinc/45/94/57/362459457.db2.gz TVSGQKSMLGGPJY-UHFFFAOYSA-N 1 0 282.344 1.540 20 5 CDBDRO CC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000602808136 344601973 /nfs/dbraw/zinc/60/19/73/344601973.db2.gz CKUFSDHTIVOXAX-VXGBXAGGSA-N 1 0 282.344 1.647 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000602811948 344603495 /nfs/dbraw/zinc/60/34/95/344603495.db2.gz QBAADPBRKTUTTR-PWSUYJOCSA-N 1 0 282.344 1.504 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000602901700 344655019 /nfs/dbraw/zinc/65/50/19/344655019.db2.gz DDABEXYRINBGLS-QWRGUYRKSA-N 1 0 250.302 1.442 20 5 CDBDRO CC[NH2+]Cc1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603220352 344747631 /nfs/dbraw/zinc/74/76/31/344747631.db2.gz TWHHFAXPWGNGEZ-JTQLQIEISA-N 1 0 275.312 1.905 20 5 CDBDRO COc1cc([N+](=O)[O-])cn(CCC[NH+]2CCCC2)c1=O ZINC000603360239 344783532 /nfs/dbraw/zinc/78/35/32/344783532.db2.gz YCDLYBAQCYNMGC-UHFFFAOYSA-N 1 0 281.312 1.251 20 5 CDBDRO CCN(CC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000302457579 344868718 /nfs/dbraw/zinc/86/87/18/344868718.db2.gz OXSDODGKVHFFCR-UHFFFAOYSA-N 1 0 252.274 1.407 20 5 CDBDRO COCC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccco1 ZINC000273231122 192082469 /nfs/dbraw/zinc/08/24/69/192082469.db2.gz FSNCGTDBCBBLMN-NSHDSACASA-N 1 0 294.311 1.752 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C1CCCCC1 ZINC000127326909 187297382 /nfs/dbraw/zinc/29/73/82/187297382.db2.gz OQHMTFRZAMRPPZ-SNVBAGLBSA-N 1 0 281.312 1.825 20 5 CDBDRO C[C@@](C[NH3+])(NC(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000127301048 187296110 /nfs/dbraw/zinc/29/61/10/187296110.db2.gz YPGXEYHHFUOKGU-ZDUSSCGKSA-N 1 0 281.287 1.591 20 5 CDBDRO CC[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000159785035 345270059 /nfs/dbraw/zinc/27/00/59/345270059.db2.gz SFNYDBKFHLXJLC-CABZTGNLSA-N 1 0 295.314 1.933 20 5 CDBDRO CCN(CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000046065056 345619474 /nfs/dbraw/zinc/61/94/74/345619474.db2.gz QGHZBVJYTSUXGW-UHFFFAOYSA-N 1 0 265.313 1.505 20 5 CDBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000609664493 345987952 /nfs/dbraw/zinc/98/79/52/345987952.db2.gz KGGIDIJANHJJOP-NSHDSACASA-N 1 0 294.355 1.347 20 5 CDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000609876905 346030323 /nfs/dbraw/zinc/03/03/23/346030323.db2.gz IABXGYVXRNVBKL-SNVBAGLBSA-N 1 0 280.328 1.527 20 5 CDBDRO CC[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000129942008 346167457 /nfs/dbraw/zinc/16/74/57/346167457.db2.gz JOMVMLLWWGKPBQ-UHFFFAOYSA-N 1 0 294.355 1.395 20 5 CDBDRO Cc1ccncc1[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000611337038 346751165 /nfs/dbraw/zinc/75/11/65/346751165.db2.gz WTGOEEKBIZPELH-LLVKDONJSA-N 1 0 275.312 1.846 20 5 CDBDRO CC[NH2+]Cc1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000090295938 347651101 /nfs/dbraw/zinc/65/11/01/347651101.db2.gz KRROVROCFNFNCD-UHFFFAOYSA-N 1 0 261.285 1.344 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000122615859 347669590 /nfs/dbraw/zinc/66/95/90/347669590.db2.gz KKQPKDHBIRYOJG-ZWNOBZJWSA-N 1 0 277.324 1.794 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000295146444 199372053 /nfs/dbraw/zinc/37/20/53/199372053.db2.gz CEMKPYLBECHHRN-VIFPVBQESA-N 1 0 277.280 1.808 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](CCO)C(C)(C)C2)c1 ZINC000614829315 348243411 /nfs/dbraw/zinc/24/34/11/348243411.db2.gz ROLXFMLTNQUOCH-UHFFFAOYSA-N 1 0 293.367 1.796 20 5 CDBDRO CCN(CCC[NH+](C)C)c1cccnc1[N+](=O)[O-] ZINC000615727016 348653141 /nfs/dbraw/zinc/65/31/41/348653141.db2.gz IXYKYBWFLDYRIU-UHFFFAOYSA-N 1 0 252.318 1.768 20 5 CDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)C[NH+]1CCCC1 ZINC000056333004 348816690 /nfs/dbraw/zinc/81/66/90/348816690.db2.gz NPOXXFJPESZFPJ-SNVBAGLBSA-N 1 0 280.328 1.385 20 5 CDBDRO O=[N+]([O-])c1cccc(C[N@H+](CCO)CC2CC2)c1 ZINC000064516070 348942654 /nfs/dbraw/zinc/94/26/54/348942654.db2.gz OUGKINPCFDSENI-UHFFFAOYSA-N 1 0 250.298 1.799 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000068341710 349061607 /nfs/dbraw/zinc/06/16/07/349061607.db2.gz PHPGMEYPFXXHNO-NSHDSACASA-N 1 0 277.324 1.761 20 5 CDBDRO CCc1nn(C)c(N[C@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000091559482 180191389 /nfs/dbraw/zinc/19/13/89/180191389.db2.gz DUNLRZARCBPOTM-SECBINFHSA-N 1 0 269.349 1.643 20 5 CDBDRO C[C@@H](c1ccncc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000091985834 180298212 /nfs/dbraw/zinc/29/82/12/180298212.db2.gz SSFQCGIXYXQNJE-NSHDSACASA-N 1 0 275.312 1.879 20 5 CDBDRO COc1ccc(C[NH2+]CCn2cc(C)cn2)cc1[N+](=O)[O-] ZINC000105881916 186082793 /nfs/dbraw/zinc/08/27/93/186082793.db2.gz BHYTVGTYASPMRX-UHFFFAOYSA-N 1 0 290.323 1.898 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000105932790 186092669 /nfs/dbraw/zinc/09/26/69/186092669.db2.gz AZWTWHZOYLNBIL-BXUZGUMPSA-N 1 0 279.340 1.576 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000161402908 362957267 /nfs/dbraw/zinc/95/72/67/362957267.db2.gz HAGFABYCVHXORV-NWDGAFQWSA-N 1 0 277.324 1.523 20 5 CDBDRO CCc1nn(C)c(N2CC[C@H]([NH+]3CC=CC3)C2)c1[N+](=O)[O-] ZINC000271393786 191113468 /nfs/dbraw/zinc/11/34/68/191113468.db2.gz MKPBFWOYKFCATB-NSHDSACASA-N 1 0 291.355 1.341 20 5 CDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000110794049 186325424 /nfs/dbraw/zinc/32/54/24/186325424.db2.gz ZWKTXEZFTWLIHM-JTQLQIEISA-N 1 0 263.297 1.324 20 5 CDBDRO O=C(NCC[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])o1 ZINC000110792129 186324704 /nfs/dbraw/zinc/32/47/04/186324704.db2.gz DRVNQDCQHVNYOR-SECBINFHSA-N 1 0 267.285 1.307 20 5 CDBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 ZINC000312797627 350793116 /nfs/dbraw/zinc/79/31/16/350793116.db2.gz JZYKFESXKZTYRN-ZANVPECISA-N 1 0 279.296 1.389 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000123815879 351289329 /nfs/dbraw/zinc/28/93/29/351289329.db2.gz BCDDKKYXOYSAFT-GWCFXTLKSA-N 1 0 265.313 1.143 20 5 CDBDRO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000036794696 363050886 /nfs/dbraw/zinc/05/08/86/363050886.db2.gz KLJRZZLNOPBJSH-ZJUUUORDSA-N 1 0 265.313 1.770 20 5 CDBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1(CO)CC1 ZINC000285350268 351604111 /nfs/dbraw/zinc/60/41/11/351604111.db2.gz ATHONZXNXQEDLO-UHFFFAOYSA-N 1 0 280.324 1.820 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000408100489 282775018 /nfs/dbraw/zinc/77/50/18/282775018.db2.gz SIPFVLXFCQBBEX-NSHDSACASA-N 1 0 279.344 1.393 20 5 CDBDRO C[NH+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000122187932 187019568 /nfs/dbraw/zinc/01/95/68/187019568.db2.gz DIIBMNQWSDMKLX-UHFFFAOYSA-N 1 0 292.339 1.171 20 5 CDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000122203616 187021115 /nfs/dbraw/zinc/02/11/15/187021115.db2.gz LVWMGVNBRAEVHU-LBPRGKRZSA-N 1 0 268.317 1.037 20 5 CDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccccc3[N+](=O)[O-])C2)C1 ZINC000292102178 198163241 /nfs/dbraw/zinc/16/32/41/198163241.db2.gz GFEQTZZFVHOYCZ-HNNXBMFYSA-N 1 0 289.335 1.763 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000135220429 187808405 /nfs/dbraw/zinc/80/84/05/187808405.db2.gz ILOJIKQIONOKAQ-LLVKDONJSA-N 1 0 277.324 1.633 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C1CC([NH3+])C1 ZINC000384816921 366085712 /nfs/dbraw/zinc/08/57/12/366085712.db2.gz DJJKBQSLLDIJIE-UHFFFAOYSA-N 1 0 299.352 1.013 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[NH2+]1 ZINC000155071122 188180453 /nfs/dbraw/zinc/18/04/53/188180453.db2.gz APCYSZBVDXSNKK-SNVBAGLBSA-N 1 0 292.339 1.095 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000156706412 188277202 /nfs/dbraw/zinc/27/72/02/188277202.db2.gz YTCNWRZSYBTSGG-SNVBAGLBSA-N 1 0 293.323 1.285 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158190901 188362879 /nfs/dbraw/zinc/36/28/79/188362879.db2.gz VOIXVNTYSMKGDQ-OAHLLOKOSA-N 1 0 289.335 1.729 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000158230142 188364181 /nfs/dbraw/zinc/36/41/81/188364181.db2.gz LWIPOMSHUIAJRB-SECBINFHSA-N 1 0 297.286 1.062 20 5 CDBDRO C[C@@](O)(C[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000336699201 356234676 /nfs/dbraw/zinc/23/46/76/356234676.db2.gz JHZYZKCVPJLXSR-LLVKDONJSA-N 1 0 256.327 1.907 20 5 CDBDRO CC(C)(CCC[NH3+])NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000336832373 356289512 /nfs/dbraw/zinc/28/95/12/356289512.db2.gz LWIXMAPQRZUKNM-UHFFFAOYSA-N 1 0 279.340 1.771 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)cs1 ZINC000358528537 356303566 /nfs/dbraw/zinc/30/35/66/356303566.db2.gz PCRIOSPBZXPSQE-LBPRGKRZSA-N 1 0 297.380 1.609 20 5 CDBDRO C[N@@H+]1CC[C@H]2CCN(c3ncc([N+](=O)[O-])s3)[C@@H]2C1 ZINC000192524876 283152916 /nfs/dbraw/zinc/15/29/16/283152916.db2.gz RKPYPBKRCVOAKY-DTWKUNHWSA-N 1 0 268.342 1.582 20 5 CDBDRO O=C(C[NH2+]C1CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000238154359 356800181 /nfs/dbraw/zinc/80/01/81/356800181.db2.gz JQPCRFVMUAKSTK-UHFFFAOYSA-N 1 0 289.335 1.838 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000163582017 356915853 /nfs/dbraw/zinc/91/58/53/356915853.db2.gz UWVRHXHHPRVTNR-NXEZZACHSA-N 1 0 295.314 1.791 20 5 CDBDRO COCC[N@H+](C)CCNc1cc(C)ccc1[N+](=O)[O-] ZINC000084726521 357131263 /nfs/dbraw/zinc/13/12/63/357131263.db2.gz CSOLQCASIKZUOI-UHFFFAOYSA-N 1 0 267.329 1.893 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](O)C1 ZINC000051205016 357208842 /nfs/dbraw/zinc/20/88/42/357208842.db2.gz SLNRTGZNUXLDSR-LLVKDONJSA-N 1 0 266.297 1.430 20 5 CDBDRO Cc1nc(N2CC[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000261581800 357275210 /nfs/dbraw/zinc/27/52/10/357275210.db2.gz GHMSCIYDHZPNMD-CYBMUJFWSA-N 1 0 262.313 1.488 20 5 CDBDRO Cc1sc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000274221081 357318530 /nfs/dbraw/zinc/31/85/30/357318530.db2.gz YXEJKKMVRZRTMJ-CYBMUJFWSA-N 1 0 295.364 1.790 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000274411479 357389939 /nfs/dbraw/zinc/38/99/39/357389939.db2.gz JDMZPOAHLSXZKT-ZCFIWIBFSA-N 1 0 257.677 1.325 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[NH2+]C1 ZINC000120246790 357393333 /nfs/dbraw/zinc/39/33/33/357393333.db2.gz ZRBXIJDSLKKOPL-NSHDSACASA-N 1 0 263.297 1.006 20 5 CDBDRO CS[C@@H]1CN(c2ccc(N)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000286622612 357589170 /nfs/dbraw/zinc/58/91/70/357589170.db2.gz VZCGWOINHDMVON-QWHCGFSZSA-N 1 0 296.396 1.659 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC3(CC3)C2)n1 ZINC000187005667 357717668 /nfs/dbraw/zinc/71/76/68/357717668.db2.gz GVFMJKKXVAVYEQ-UHFFFAOYSA-N 1 0 250.302 1.667 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000186780585 357688525 /nfs/dbraw/zinc/68/85/25/357688525.db2.gz LQYCHYSVMQACDI-UHFFFAOYSA-N 1 0 295.314 1.900 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000186837637 357698141 /nfs/dbraw/zinc/69/81/41/357698141.db2.gz NEJMAODOMMWKIV-MNOVXSKESA-N 1 0 293.323 1.088 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)CC1CC[NH+](C)CC1 ZINC000360909985 357742963 /nfs/dbraw/zinc/74/29/63/357742963.db2.gz OAQMFRAIVQKBAD-UHFFFAOYSA-N 1 0 295.387 1.898 20 5 CDBDRO [NH3+]CC1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000135215940 357782828 /nfs/dbraw/zinc/78/28/28/357782828.db2.gz XCEZGQORPWHYKN-UHFFFAOYSA-N 1 0 281.287 1.545 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000135223310 357783674 /nfs/dbraw/zinc/78/36/74/357783674.db2.gz FRVGAZMGBNPJHR-GFCCVEGCSA-N 1 0 277.324 1.727 20 5 CDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000610708857 357829160 /nfs/dbraw/zinc/82/91/60/357829160.db2.gz WPMKECKTHMVHAH-QPUJVOFHSA-N 1 0 278.312 1.135 20 5 CDBDRO CC(C)[C@H]([NH3+])C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262320357 357868883 /nfs/dbraw/zinc/86/88/83/357868883.db2.gz QHBIZRINJHUOCO-JTQLQIEISA-N 1 0 277.284 1.393 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000408099813 358008353 /nfs/dbraw/zinc/00/83/53/358008353.db2.gz NMOVOYXIPORYAO-LLVKDONJSA-N 1 0 292.339 1.623 20 5 CDBDRO COCCC[N@H+](CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000189898320 358044609 /nfs/dbraw/zinc/04/46/09/358044609.db2.gz VVSURYMODMWFML-UHFFFAOYSA-N 1 0 282.340 1.468 20 5 CDBDRO CC[N@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000190331971 358067429 /nfs/dbraw/zinc/06/74/29/358067429.db2.gz XPIRXVGYXOYASL-SECBINFHSA-N 1 0 270.358 1.829 20 5 CDBDRO C[NH+](C)CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000287183125 358122795 /nfs/dbraw/zinc/12/27/95/358122795.db2.gz ZOWGXNROFKNKFX-UHFFFAOYSA-N 1 0 277.284 1.217 20 5 CDBDRO Nc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000193456205 358294846 /nfs/dbraw/zinc/29/48/46/358294846.db2.gz MBPNNPMYBWZNNK-LBPRGKRZSA-N 1 0 274.324 1.628 20 5 CDBDRO CC(C)(C[NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000567042097 358620632 /nfs/dbraw/zinc/62/06/32/358620632.db2.gz HQHMVLAHGCTYKT-UHFFFAOYSA-N 1 0 263.297 1.469 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000567048752 358622958 /nfs/dbraw/zinc/62/29/58/358622958.db2.gz PNSDBVKEWZGACJ-RKDXNWHRSA-N 1 0 296.327 1.851 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000262446714 358826864 /nfs/dbraw/zinc/82/68/64/358826864.db2.gz IXMFBZYWEORGQJ-SNVBAGLBSA-N 1 0 265.313 1.631 20 5 CDBDRO Cc1cccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1[N+](=O)[O-] ZINC000185187787 358776980 /nfs/dbraw/zinc/77/69/80/358776980.db2.gz RIBHZNQWPBFSBY-UHTWSYAYSA-N 1 0 289.335 1.713 20 5 CDBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000538427927 358858704 /nfs/dbraw/zinc/85/87/04/358858704.db2.gz CJAVYJOYZNAETD-SECBINFHSA-N 1 0 272.326 1.118 20 5 CDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179068096 366514301 /nfs/dbraw/zinc/51/43/01/366514301.db2.gz MKNSCZUAOJAPRP-NSHDSACASA-N 1 0 292.339 1.095 20 5 CDBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H](C)OC ZINC000291154850 358887536 /nfs/dbraw/zinc/88/75/36/358887536.db2.gz FBXLNRPDPKWCBI-JTQLQIEISA-N 1 0 256.306 1.148 20 5 CDBDRO C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[NH+](C)C ZINC000134222031 358961974 /nfs/dbraw/zinc/96/19/74/358961974.db2.gz KMVNUHWFAUWOCK-VIFPVBQESA-N 1 0 292.339 1.842 20 5 CDBDRO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000351756691 358962358 /nfs/dbraw/zinc/96/23/58/358962358.db2.gz LLQLJMKJVBVCJF-ZWNOBZJWSA-N 1 0 250.298 1.450 20 5 CDBDRO CCCNC(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000044351495 359087797 /nfs/dbraw/zinc/08/77/97/359087797.db2.gz DFFIRSZJZABMCY-UHFFFAOYSA-N 1 0 265.313 1.601 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NCC[NH+]1CCCC1 ZINC000054128534 359158779 /nfs/dbraw/zinc/15/87/79/359158779.db2.gz HCIHHHIVGLJRNH-UHFFFAOYSA-N 1 0 250.302 1.806 20 5 CDBDRO O=c1c(Cl)cc([N+](=O)[O-])cn1CC[C@H]1CC[NH2+]C1 ZINC000570082185 359287998 /nfs/dbraw/zinc/28/79/98/359287998.db2.gz UAHWMIUCNGBYJN-MRVPVSSYSA-N 1 0 271.704 1.410 20 5 CDBDRO CC[NH+](CC)CCCCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000112919472 359363793 /nfs/dbraw/zinc/36/37/93/359363793.db2.gz BILIAMPHUCDQGC-UHFFFAOYSA-N 1 0 297.359 1.030 20 5 CDBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000050113664 359572645 /nfs/dbraw/zinc/57/26/45/359572645.db2.gz YJRQQWKBVWSANO-LLVKDONJSA-N 1 0 266.297 1.560 20 5 CDBDRO [NH3+]C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000033439834 359701134 /nfs/dbraw/zinc/70/11/34/359701134.db2.gz LLMFDWMBKSXAFC-UHFFFAOYSA-N 1 0 265.313 1.397 20 5 CDBDRO O=[N+]([O-])c1cnc(NCCC[NH+]2CCCC2)s1 ZINC000226772539 359734308 /nfs/dbraw/zinc/73/43/08/359734308.db2.gz GCCJIDHKRYPBJL-UHFFFAOYSA-N 1 0 256.331 1.949 20 5 CDBDRO O=[N+]([O-])c1cc(C[N@@H+](CCO)CCCO)ccc1Cl ZINC000269037399 366558513 /nfs/dbraw/zinc/55/85/13/366558513.db2.gz FQOKIDLZXKZGHK-UHFFFAOYSA-N 1 0 288.731 1.425 20 5 CDBDRO COc1ccc(C[N@H+]2C[C@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000351794656 359834235 /nfs/dbraw/zinc/83/42/35/359834235.db2.gz FGKOJNBXVLNQLB-CABZTGNLSA-N 1 0 266.297 1.416 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000187338813 359924867 /nfs/dbraw/zinc/92/48/67/359924867.db2.gz FKAKDJBPBYWERL-SNVBAGLBSA-N 1 0 294.355 1.637 20 5 CDBDRO CC[C@@]1(C)CN(CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000135722229 359952920 /nfs/dbraw/zinc/95/29/20/359952920.db2.gz OQKMZIXEGHQDQU-LBPRGKRZSA-N 1 0 268.317 1.292 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[NH+]1CCC1 ZINC000342773228 360063591 /nfs/dbraw/zinc/06/35/91/360063591.db2.gz AHCLSWPQICZLIQ-UHFFFAOYSA-N 1 0 293.323 1.807 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000063192936 360082381 /nfs/dbraw/zinc/08/23/81/360082381.db2.gz JJNBJNKIMGKREL-UWVGGRQHSA-N 1 0 280.328 1.275 20 5 CDBDRO COCC1(O)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000270301347 360122388 /nfs/dbraw/zinc/12/23/88/360122388.db2.gz ASDXYXJKXQXFSB-UHFFFAOYSA-N 1 0 280.324 1.568 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000235676398 360325784 /nfs/dbraw/zinc/32/57/84/360325784.db2.gz XCQQPTNYBYLVEA-QWRGUYRKSA-N 1 0 277.324 1.774 20 5 CDBDRO Cc1c(NC(=O)N[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000348091268 360376304 /nfs/dbraw/zinc/37/63/04/360376304.db2.gz YSNGZQXGELGJJI-SECBINFHSA-N 1 0 280.328 1.975 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298849649 200547964 /nfs/dbraw/zinc/54/79/64/200547964.db2.gz CBSQZMBOGJOZMK-VIFPVBQESA-N 1 0 266.301 1.137 20 5 CDBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000487558162 360622067 /nfs/dbraw/zinc/62/20/67/360622067.db2.gz IXBYVIGSBDWOHR-PRHODGIISA-N 1 0 281.287 1.870 20 5 CDBDRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000178863822 189151436 /nfs/dbraw/zinc/15/14/36/189151436.db2.gz GGNVDABTDRVJOK-VIFPVBQESA-N 1 0 292.339 1.376 20 5 CDBDRO COC[C@@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000234891976 360968874 /nfs/dbraw/zinc/96/88/74/360968874.db2.gz PYFNKJLTQWOYHY-GXSJLCMTSA-N 1 0 254.286 1.253 20 5 CDBDRO COC[C@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000234826913 360962467 /nfs/dbraw/zinc/96/24/67/360962467.db2.gz PYFNKJLTQWOYHY-ONGXEEELSA-N 1 0 254.286 1.253 20 5 CDBDRO Cc1cccc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000070075672 361236916 /nfs/dbraw/zinc/23/69/16/361236916.db2.gz VJTNJCCIUBNASN-PHIMTYICSA-N 1 0 277.324 1.726 20 5 CDBDRO COC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000181561654 189300711 /nfs/dbraw/zinc/30/07/11/189300711.db2.gz RROACPDIXHCFES-GFCCVEGCSA-N 1 0 293.323 1.208 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C1 ZINC000150988029 283658796 /nfs/dbraw/zinc/65/87/96/283658796.db2.gz AMXZXIVIEXAXIA-LLVKDONJSA-N 1 0 295.314 1.866 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](CO)c2ccccc2)n1 ZINC000183636736 189364720 /nfs/dbraw/zinc/36/47/20/189364720.db2.gz CVTZGCANWSCAMP-LBPRGKRZSA-N 1 0 276.296 1.115 20 5 CDBDRO C[N@H+](CC[C@@H]1CCNC1=O)Cc1ccccc1[N+](=O)[O-] ZINC000562479211 361501379 /nfs/dbraw/zinc/50/13/79/361501379.db2.gz WCZUDTODQNXKQX-NSHDSACASA-N 1 0 277.324 1.553 20 5 CDBDRO CCn1c(CC[NH3+])nnc1Sc1sccc1[N+](=O)[O-] ZINC000302026024 201306275 /nfs/dbraw/zinc/30/62/75/201306275.db2.gz QDOSFFASNMVAHU-UHFFFAOYSA-N 1 0 299.381 1.920 20 5 CDBDRO C[C@@H]1CCC[C@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304275609 239356486 /nfs/dbraw/zinc/35/64/86/239356486.db2.gz CQEQICZXJSFTCV-MBNYWOFBSA-N 1 0 296.371 1.663 20 5 CDBDRO Cc1c([N+](=O)[O-])ccc(=O)n1CC[C@@H]1CC[NH2+]C1 ZINC000580560589 363922446 /nfs/dbraw/zinc/92/24/46/363922446.db2.gz NNVFJFAXNLBPGA-JTQLQIEISA-N 1 0 251.286 1.065 20 5 CDBDRO CN1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000580886702 363958357 /nfs/dbraw/zinc/95/83/57/363958357.db2.gz RJDXWZUAUIBEKG-ZDUSSCGKSA-N 1 0 277.324 1.647 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH3+] ZINC000237190509 364189622 /nfs/dbraw/zinc/18/96/22/364189622.db2.gz CFLDNSYRASIHIM-UHFFFAOYSA-N 1 0 267.285 1.072 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[NH2+]C2)c1 ZINC000088147690 364250151 /nfs/dbraw/zinc/25/01/51/364250151.db2.gz IFRMSYXBAQQFGH-NSHDSACASA-N 1 0 277.324 1.633 20 5 CDBDRO O=C([C@H]1CCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088251954 364615110 /nfs/dbraw/zinc/61/51/10/364615110.db2.gz UIEQXSFCQAEINF-CYBMUJFWSA-N 1 0 275.308 1.232 20 5 CDBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000104140774 364798867 /nfs/dbraw/zinc/79/88/67/364798867.db2.gz WXUGSSUTWJCQRB-MRVPVSSYSA-N 1 0 283.353 1.856 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H]1C ZINC000345889770 364753320 /nfs/dbraw/zinc/75/33/20/364753320.db2.gz XTUKMFIMDQLRJM-UWVGGRQHSA-N 1 0 280.328 1.478 20 5 CDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC[C@H]1CCC[NH2+]1 ZINC000384467829 364766828 /nfs/dbraw/zinc/76/68/28/364766828.db2.gz PLEHWPYTYYGNMU-DMTLFAOVSA-N 1 0 289.335 1.866 20 5 CDBDRO Cc1nc(N2CC[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000268490376 364789072 /nfs/dbraw/zinc/78/90/72/364789072.db2.gz NMYKVHKFRJBBOG-LLVKDONJSA-N 1 0 264.329 1.686 20 5 CDBDRO C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000111749235 364962498 /nfs/dbraw/zinc/96/24/98/364962498.db2.gz HTGHYYKMBRRLSQ-OCAPTIKFSA-N 1 0 269.326 1.479 20 5 CDBDRO CC[C@@](C)([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(N)=O ZINC000133654145 365101871 /nfs/dbraw/zinc/10/18/71/365101871.db2.gz HDPTYUKQTIYOAJ-CYBMUJFWSA-N 1 0 281.312 1.347 20 5 CDBDRO CN1CCC[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1=O ZINC000344599321 365516963 /nfs/dbraw/zinc/51/69/63/365516963.db2.gz DSMNZNUNTGQCSR-LLPBQKLSSA-N 1 0 289.335 1.818 20 5 CDBDRO CO[C@H](C[NH3+])CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000232115006 366952753 /nfs/dbraw/zinc/95/27/53/366952753.db2.gz OOLPRKJUWOBSJU-SKDRFNHKSA-N 1 0 281.312 1.136 20 5 CDBDRO Cc1ccc(NC(=O)N[C@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000414659040 241304845 /nfs/dbraw/zinc/30/48/45/241304845.db2.gz MKMUXPLHTSYWAW-SECBINFHSA-N 1 0 266.301 1.762 20 5 CDBDRO COc1ccc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000414826700 367006350 /nfs/dbraw/zinc/00/63/50/367006350.db2.gz JIOMQAVUTMEKIJ-FUNVUKJBSA-N 1 0 291.351 1.976 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000414789527 241387406 /nfs/dbraw/zinc/38/74/06/241387406.db2.gz OFULFKDPCMEDJH-RISCZKNCSA-N 1 0 261.325 1.697 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CNCC[NH2+]C ZINC000414821851 241402437 /nfs/dbraw/zinc/40/24/37/241402437.db2.gz MEPIWGJUNJQWEL-UHFFFAOYSA-N 1 0 253.302 1.303 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]C2(C)C)c1 ZINC000307909666 370887373 /nfs/dbraw/zinc/88/73/73/370887373.db2.gz GIGPMCWQNTTWJJ-GFCCVEGCSA-N 1 0 277.324 1.774 20 5 CDBDRO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1C ZINC000122819278 367807873 /nfs/dbraw/zinc/80/78/73/367807873.db2.gz JJLMCEOMDHUEBG-QWRGUYRKSA-N 1 0 252.318 1.769 20 5 CDBDRO Cc1sc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000269235858 367971474 /nfs/dbraw/zinc/97/14/74/367971474.db2.gz WUJZHBCGLPCPEG-CBAPKCEASA-N 1 0 283.353 1.774 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000418388772 243017815 /nfs/dbraw/zinc/01/78/15/243017815.db2.gz NRIIDHOXKBBVME-NSHDSACASA-N 1 0 294.355 1.592 20 5 CDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000330636102 203065616 /nfs/dbraw/zinc/06/56/16/203065616.db2.gz UWTZTBWHBPZOTR-VXGBXAGGSA-N 1 0 291.351 1.688 20 5 CDBDRO Cc1nc(N[C@H]2CCC[NH2+][C@H]2C)ncc1[N+](=O)[O-] ZINC000420280677 244019154 /nfs/dbraw/zinc/01/91/54/244019154.db2.gz ZASRLZFPPDUFBU-CBAPKCEASA-N 1 0 251.290 1.246 20 5 CDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000420287399 244029362 /nfs/dbraw/zinc/02/93/62/244029362.db2.gz RKZWJJPBZKWFFI-DTWKUNHWSA-N 1 0 293.327 1.018 20 5 CDBDRO C[NH2+]CCN(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420340303 244111097 /nfs/dbraw/zinc/11/10/97/244111097.db2.gz RDTOYROUXARHMO-UHFFFAOYSA-N 1 0 291.311 1.296 20 5 CDBDRO Cc1ccnc(N(C)C[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000420639615 244305461 /nfs/dbraw/zinc/30/54/61/244305461.db2.gz SCVCIELCKCNXDN-NSHDSACASA-N 1 0 264.329 1.829 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])c(N)c1F ZINC000420641647 244307446 /nfs/dbraw/zinc/30/74/46/244307446.db2.gz UVSTXYNBFFTSBD-VIFPVBQESA-N 1 0 282.319 1.847 20 5 CDBDRO Cc1cc(C(=O)N[C@H](C)CCC[NH3+])cc([N+](=O)[O-])c1 ZINC000295219297 369673911 /nfs/dbraw/zinc/67/39/11/369673911.db2.gz MNAAODLCMXSSRL-SNVBAGLBSA-N 1 0 265.313 1.760 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000295244201 369721774 /nfs/dbraw/zinc/72/17/74/369721774.db2.gz PLXFTTWPAOCFEQ-SSDOTTSWSA-N 1 0 257.315 1.514 20 5 CDBDRO CCc1ccc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000295327692 369960456 /nfs/dbraw/zinc/96/04/56/369960456.db2.gz XJDSQZNRVULDFL-PJXYFTJBSA-N 1 0 275.308 1.105 20 5 CDBDRO Cc1cccc(C(=O)NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000001627734 370117934 /nfs/dbraw/zinc/11/79/34/370117934.db2.gz CXBLTQHULDRRET-UHFFFAOYSA-N 1 0 251.286 1.195 20 5 CDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC(C)(C)O ZINC000160613622 370573616 /nfs/dbraw/zinc/57/36/16/370573616.db2.gz PBJXHXDADTVQEY-SNVBAGLBSA-N 1 0 295.339 1.672 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NCCc1ccccc1[N+](=O)[O-] ZINC000422796566 245266772 /nfs/dbraw/zinc/26/67/72/245266772.db2.gz YNBWHKMBYPZLCF-DGCLKSJQSA-N 1 0 263.341 1.725 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)C[NH2+]C ZINC000422830644 245310663 /nfs/dbraw/zinc/31/06/63/245310663.db2.gz RGMUMNSEKZZWNI-SNVBAGLBSA-N 1 0 295.339 1.579 20 5 CDBDRO [NH3+]CC1(CC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000422933440 245417769 /nfs/dbraw/zinc/41/77/69/245417769.db2.gz HSEDBMRJSSCQRV-UHFFFAOYSA-N 1 0 292.339 1.252 20 5 CDBDRO Nc1c(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)cc(F)cc1[N+](=O)[O-] ZINC001580431791 1172432054 /nfs/dbraw/zinc/43/20/54/1172432054.db2.gz VIEPRZJQQZTCOD-KYZUINATSA-N 1 0 296.302 1.316 20 5 CDBDRO COc1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000385332490 373021473 /nfs/dbraw/zinc/02/14/73/373021473.db2.gz VAXRBENYECJYLT-YPMHNXCESA-N 1 0 277.324 1.397 20 5 CDBDRO Cc1nn(C)c(N2CCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000301277592 373324339 /nfs/dbraw/zinc/32/43/39/373324339.db2.gz SGMOHZSDXKPSSA-GFCCVEGCSA-N 1 0 293.371 1.701 20 5 CDBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000191667176 373507962 /nfs/dbraw/zinc/50/79/62/373507962.db2.gz HMQHFEOBNZHEEA-CQSZACIVSA-N 1 0 296.371 1.664 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269667605 373525224 /nfs/dbraw/zinc/52/52/24/373525224.db2.gz SYWJFCUPOYOFKZ-HUUCEWRRSA-N 1 0 293.367 1.654 20 5 CDBDRO COc1cc(C(=O)NC[C@@H](C)C[NH3+])cc([N+](=O)[O-])c1C ZINC000423464985 245833774 /nfs/dbraw/zinc/83/37/74/245833774.db2.gz WGRKXPUZHCZSAZ-QMMMGPOBSA-N 1 0 281.312 1.236 20 5 CDBDRO Cc1c(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000368424463 373830810 /nfs/dbraw/zinc/83/08/10/373830810.db2.gz KLPLUJNLVNRSJV-HZMBPMFUSA-N 1 0 275.308 1.841 20 5 CDBDRO Cc1cc(N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000225403201 374296605 /nfs/dbraw/zinc/29/66/05/374296605.db2.gz RRKMGSZRNLSUQH-NEPJUHHUSA-N 1 0 294.355 1.190 20 5 CDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000368622964 374322194 /nfs/dbraw/zinc/32/21/94/374322194.db2.gz ITBRJQLRRXWJIQ-TZMCWYRMSA-N 1 0 293.371 1.350 20 5 CDBDRO Cc1oncc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369684610 374362919 /nfs/dbraw/zinc/36/29/19/374362919.db2.gz WFUGUWBHHGYOMY-UHFFFAOYSA-N 1 0 291.311 1.925 20 5 CDBDRO O=C(N1CCc2ccc([N+](=O)[O-])cc2C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423189245 374372196 /nfs/dbraw/zinc/37/21/96/374372196.db2.gz QRKVYKKJKPEERA-DOMZBBRYSA-N 1 0 287.319 1.232 20 5 CDBDRO C[NH2+]CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423846065 246139433 /nfs/dbraw/zinc/13/94/33/246139433.db2.gz NLYAEVYZCXDSQR-UHFFFAOYSA-N 1 0 257.677 1.084 20 5 CDBDRO C[N@H+](CCCO)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000115519646 374412131 /nfs/dbraw/zinc/41/21/31/374412131.db2.gz RWLDEUKRKHIINL-UHFFFAOYSA-N 1 0 294.355 1.273 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000372990285 374458455 /nfs/dbraw/zinc/45/84/55/374458455.db2.gz PBZBZZGHBFLDHG-LBPRGKRZSA-N 1 0 281.360 1.207 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000423964301 246256189 /nfs/dbraw/zinc/25/61/89/246256189.db2.gz WSFLCDICTYNPBM-LBPRGKRZSA-N 1 0 294.355 1.496 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000424019496 246292611 /nfs/dbraw/zinc/29/26/11/246292611.db2.gz MBELBSWAQYKTMT-UHFFFAOYSA-N 1 0 279.340 1.893 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCNC(=O)C[C@@H]1C ZINC000378326659 374640053 /nfs/dbraw/zinc/64/00/53/374640053.db2.gz ONBQZOAGOQVZAP-JTQLQIEISA-N 1 0 293.323 1.314 20 5 CDBDRO Cc1ccc(C[N@@H+]2CC[C@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000377846529 374621287 /nfs/dbraw/zinc/62/12/87/374621287.db2.gz CRIJUXKKPQVIJP-GFCCVEGCSA-N 1 0 277.324 1.601 20 5 CDBDRO COC(=O)[C@@H]1C[C@@H](C)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000274992513 374688129 /nfs/dbraw/zinc/68/81/29/374688129.db2.gz OFQVRULQJDKBEO-QWRGUYRKSA-N 1 0 296.327 1.065 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccccc2F)c1 ZINC000037880485 374781828 /nfs/dbraw/zinc/78/18/28/374781828.db2.gz NLBVOOPCQWEKNA-GFCCVEGCSA-N 1 0 294.286 1.081 20 5 CDBDRO COc1ccc(CNC(=O)CC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000277455125 374787576 /nfs/dbraw/zinc/78/75/76/374787576.db2.gz GYPGXMZONKTKDI-SECBINFHSA-N 1 0 281.312 1.347 20 5 CDBDRO CCOc1cc(C[N@@H+]2CC[C@@](C)(O)C2)ccc1[N+](=O)[O-] ZINC000331134838 374894182 /nfs/dbraw/zinc/89/41/82/374894182.db2.gz CIAFZRYGXBERIP-CQSZACIVSA-N 1 0 280.324 1.950 20 5 CDBDRO CO[C@@]1(C)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000279398678 374896996 /nfs/dbraw/zinc/89/69/96/374896996.db2.gz UWIIAVUTDOELTD-LBPRGKRZSA-N 1 0 268.317 1.292 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000331418600 374950463 /nfs/dbraw/zinc/95/04/63/374950463.db2.gz QYRIWNBUPMAOGM-SNVBAGLBSA-N 1 0 292.339 1.670 20 5 CDBDRO Cc1ccc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000280198949 374986090 /nfs/dbraw/zinc/98/60/90/374986090.db2.gz HVUCNSHQCYIDMM-CQSZACIVSA-N 1 0 277.324 1.601 20 5 CDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@H]1CCCCNC1=O ZINC000282388050 375083897 /nfs/dbraw/zinc/08/38/97/375083897.db2.gz GNXCWIZRELRGCB-AWEZNQCLSA-N 1 0 291.351 1.738 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CCn1ccc(=O)c([N+](=O)[O-])c1 ZINC000284189509 375132207 /nfs/dbraw/zinc/13/22/07/375132207.db2.gz KMORFRBWOAAJLH-NSHDSACASA-N 1 0 265.313 1.631 20 5 CDBDRO CC[NH+](CC)CCn1ccc(C)c([N+](=O)[O-])c1=O ZINC000097058032 375140582 /nfs/dbraw/zinc/14/05/82/375140582.db2.gz ZGUSQLBDHOWPEH-UHFFFAOYSA-N 1 0 253.302 1.407 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161971267 375246514 /nfs/dbraw/zinc/24/65/14/375246514.db2.gz ZAQFDUFZFZWQDO-ZJUUUORDSA-N 1 0 293.323 1.603 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000161849440 375193405 /nfs/dbraw/zinc/19/34/05/375193405.db2.gz AZQMKENFIXPFKO-NWDGAFQWSA-N 1 0 277.324 1.523 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000131707055 375323514 /nfs/dbraw/zinc/32/35/14/375323514.db2.gz RLUARGDDCSJJHK-GHMZBOCLSA-N 1 0 292.339 1.202 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)CO ZINC000344791917 375437915 /nfs/dbraw/zinc/43/79/15/375437915.db2.gz LXVQBYGMMNNMRF-RUYJGKKWSA-N 1 0 250.298 1.969 20 5 CDBDRO C[C@@H]1OCC[C@]1(O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000227147539 375451306 /nfs/dbraw/zinc/45/13/06/375451306.db2.gz IVAGDLIFYGTODH-FZMZJTMJSA-N 1 0 280.324 1.267 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H]1C(N)=O ZINC000347330790 375556738 /nfs/dbraw/zinc/55/67/38/375556738.db2.gz FBCNSUGHVKWQAJ-KOTGUFOOSA-N 1 0 289.335 1.948 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000261621009 190041638 /nfs/dbraw/zinc/04/16/38/190041638.db2.gz UUFVBKSMUAUIHF-XLDPMVHQSA-N 1 0 267.285 1.304 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261716304 190043078 /nfs/dbraw/zinc/04/30/78/190043078.db2.gz POYNOJQGWZQGSW-ZETOZRRWSA-N 1 0 291.351 1.640 20 5 CDBDRO [NH3+]CC1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000261994455 190046134 /nfs/dbraw/zinc/04/61/34/190046134.db2.gz NEUSUKDDSFBRDW-UHFFFAOYSA-N 1 0 279.296 1.111 20 5 CDBDRO C[C@@H](C[NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000262333333 190052982 /nfs/dbraw/zinc/05/29/82/190052982.db2.gz DWXLHCHVXZDUIZ-ZETCQYMHSA-N 1 0 271.704 1.459 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000262465738 190055478 /nfs/dbraw/zinc/05/54/78/190055478.db2.gz YGFIDTCJKHEEKO-VHSXEESVSA-N 1 0 265.313 1.237 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](O)C23CCCC3)n1 ZINC000433300239 248020414 /nfs/dbraw/zinc/02/04/14/248020414.db2.gz CVXKFSYBOLCHGA-LLVKDONJSA-N 1 0 280.328 1.171 20 5 CDBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1csc([N+](=O)[O-])c1)C2 ZINC000073988603 376749626 /nfs/dbraw/zinc/74/96/26/376749626.db2.gz SMNSFAPGUYASJF-WDEREUQCSA-N 1 0 295.364 1.965 20 5 CDBDRO Cc1ccc(C(=O)NC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000457209764 252478732 /nfs/dbraw/zinc/47/87/32/252478732.db2.gz CLUIIMYZWNDLKQ-UHFFFAOYSA-N 1 0 279.340 1.973 20 5 CDBDRO Cc1ccc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000435235800 248159778 /nfs/dbraw/zinc/15/97/78/248159778.db2.gz OXNACYNPCXTDBR-CYBMUJFWSA-N 1 0 289.335 1.870 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574926503 378782091 /nfs/dbraw/zinc/78/20/91/378782091.db2.gz FHZKATHEMDWWCW-CABZTGNLSA-N 1 0 277.324 1.696 20 5 CDBDRO CCOC[C@@H](O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447538394 250384096 /nfs/dbraw/zinc/38/40/96/250384096.db2.gz BXISFNQHQXYXFI-ZFWWWQNUSA-N 1 0 294.351 1.959 20 5 CDBDRO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000266940277 190292255 /nfs/dbraw/zinc/29/22/55/190292255.db2.gz PRKXKWVJMFOCCQ-QWRGUYRKSA-N 1 0 252.318 1.912 20 5 CDBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCCC2)nc1 ZINC000042295467 379560614 /nfs/dbraw/zinc/56/06/14/379560614.db2.gz BIMKKRULOFEHRU-UHFFFAOYSA-N 1 0 250.302 1.888 20 5 CDBDRO Cc1n[nH]c(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000267335629 190321962 /nfs/dbraw/zinc/32/19/62/190321962.db2.gz YQFXCHUWACDGNI-UWVGGRQHSA-N 1 0 295.343 1.229 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)n1 ZINC000267421276 190329075 /nfs/dbraw/zinc/32/90/75/190329075.db2.gz KMIRGKNGJXXIAS-NSHDSACASA-N 1 0 290.327 1.394 20 5 CDBDRO CC[C@@H]([NH2+]Cc1cnnn1C)c1cccc([N+](=O)[O-])c1 ZINC000267503756 190334741 /nfs/dbraw/zinc/33/47/41/190334741.db2.gz ICWIZKXFTVKOFV-CYBMUJFWSA-N 1 0 275.312 1.964 20 5 CDBDRO COC(=O)[C@@]1(F)CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000267693510 190347917 /nfs/dbraw/zinc/34/79/17/190347917.db2.gz SOGYWCDYVSUVAN-CYBMUJFWSA-N 1 0 282.271 1.682 20 5 CDBDRO C[C@H](CCO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449155605 250723435 /nfs/dbraw/zinc/72/34/35/250723435.db2.gz BOKPXQADHWUWPB-MNOVXSKESA-N 1 0 252.314 1.886 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000268130987 190379668 /nfs/dbraw/zinc/37/96/68/190379668.db2.gz FHYCMDHUEAITKV-JTQLQIEISA-N 1 0 295.314 1.758 20 5 CDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000268294138 190393716 /nfs/dbraw/zinc/39/37/16/190393716.db2.gz ZXTAGFUTIVEWGF-KWQFWETISA-N 1 0 278.312 1.135 20 5 CDBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000279117642 194290653 /nfs/dbraw/zinc/29/06/53/194290653.db2.gz VGAOVZPCDXGFTI-UHFFFAOYSA-N 1 0 293.323 1.792 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+](C2CC2)C1 ZINC000452574209 252099234 /nfs/dbraw/zinc/09/92/34/252099234.db2.gz VCUXNCLHXONYJV-JTQLQIEISA-N 1 0 292.339 1.479 20 5 CDBDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000279922664 194628740 /nfs/dbraw/zinc/62/87/40/194628740.db2.gz XKMKQFJRFJTPGQ-AWEZNQCLSA-N 1 0 291.351 1.943 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000453429239 252317356 /nfs/dbraw/zinc/31/73/56/252317356.db2.gz QFWRUVSHDSYSJL-NHYWBVRUSA-N 1 0 291.351 1.784 20 5 CDBDRO CCOc1cc(C[N@H+](C)C2CC(O)C2)ccc1[N+](=O)[O-] ZINC000492815988 253302447 /nfs/dbraw/zinc/30/24/47/253302447.db2.gz GJRNWAIXYSYIMB-UHFFFAOYSA-N 1 0 280.324 1.949 20 5 CDBDRO CN(C)CC[N@H+](C)CCCNc1ccc([N+](=O)[O-])cn1 ZINC000289202853 197261780 /nfs/dbraw/zinc/26/17/80/197261780.db2.gz XSVBITRODMAWON-UHFFFAOYSA-N 1 0 281.360 1.285 20 5 CDBDRO O=[N+]([O-])c1cccnc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000301724070 285166908 /nfs/dbraw/zinc/16/69/08/285166908.db2.gz OPPIJFQWGIZNTA-LBPRGKRZSA-N 1 0 292.339 1.655 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[NH+](C3CCCC3)CC2)nc1 ZINC000273225969 285174493 /nfs/dbraw/zinc/17/44/93/285174493.db2.gz WBJQZZWKZFXUAK-UHFFFAOYSA-N 1 0 277.328 1.449 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@H]([NH+]3CC=CC3)C2)c(F)c1 ZINC000413168442 285176959 /nfs/dbraw/zinc/17/69/59/285176959.db2.gz KVUWRQQYQSAVKM-JTQLQIEISA-N 1 0 278.287 1.579 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+](C)C ZINC000281302828 195188579 /nfs/dbraw/zinc/18/85/79/195188579.db2.gz DGECAFVWBNMJIX-UHFFFAOYSA-N 1 0 296.327 1.677 20 5 CDBDRO CC[C@H]1CCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000286090932 390192335 /nfs/dbraw/zinc/19/23/35/390192335.db2.gz KPPKJUYLDFHMOV-QWRGUYRKSA-N 1 0 252.318 1.960 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000320759946 390509004 /nfs/dbraw/zinc/50/90/04/390509004.db2.gz XBZWVUKKJXOCGG-NXEZZACHSA-N 1 0 265.313 1.379 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1csc([N+](=O)[O-])c1 ZINC000320784266 390520386 /nfs/dbraw/zinc/52/03/86/390520386.db2.gz FBLXSWOTGXQYBJ-NKWVEPMBSA-N 1 0 257.315 1.512 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000049281809 390681352 /nfs/dbraw/zinc/68/13/52/390681352.db2.gz WWULAQZSTNGQLN-JTQLQIEISA-N 1 0 250.302 1.884 20 5 CDBDRO C[C@@H](C[NH3+])N(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000430922389 390942479 /nfs/dbraw/zinc/94/24/79/390942479.db2.gz ZZHVDBJGXUJMLM-VIFPVBQESA-N 1 0 291.311 1.424 20 5 CDBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000122060265 391023161 /nfs/dbraw/zinc/02/31/61/391023161.db2.gz OIZRZVDFMDYULH-GFCCVEGCSA-N 1 0 269.301 1.681 20 5 CDBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[N@@H+](C2CC2)C1 ZINC000294905025 391160851 /nfs/dbraw/zinc/16/08/51/391160851.db2.gz IPSGAAXPGWYBHE-SNVBAGLBSA-N 1 0 277.328 1.305 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/CNC[C@@H]1C[NH2+]CCCO1 ZINC000415043571 391249978 /nfs/dbraw/zinc/24/99/78/391249978.db2.gz RSDQLCVOADVTKD-BOTMBNHJSA-N 1 0 291.351 1.576 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000237566661 391252580 /nfs/dbraw/zinc/25/25/80/391252580.db2.gz AJKGJGKVZZXWSF-SSDOTTSWSA-N 1 0 255.249 1.059 20 5 CDBDRO Cc1cc(NCC[C@H]2CCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC000413433880 391214130 /nfs/dbraw/zinc/21/41/30/391214130.db2.gz FJQAWMIKVQXHQI-GFCCVEGCSA-N 1 0 278.356 1.864 20 5 CDBDRO C[C@H](O)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000190927603 391393626 /nfs/dbraw/zinc/39/36/26/391393626.db2.gz QHFLATCZJHHCQY-RYUDHWBXSA-N 1 0 282.340 1.201 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000186714839 391438436 /nfs/dbraw/zinc/43/84/36/391438436.db2.gz KWTQMVOEMQUYDU-GWCFXTLKSA-N 1 0 293.323 1.088 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](C)C[NH3+] ZINC000415477079 391466356 /nfs/dbraw/zinc/46/63/56/391466356.db2.gz AIUKGQFQHAWHNO-MRVPVSSYSA-N 1 0 280.328 1.928 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415763659 391471416 /nfs/dbraw/zinc/47/14/16/391471416.db2.gz OSNNURKHXJYCEL-PJXYFTJBSA-N 1 0 290.323 1.497 20 5 CDBDRO C[C@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]1C ZINC000355348526 391931136 /nfs/dbraw/zinc/93/11/36/391931136.db2.gz ZSGXSWDADIQDHN-UWVGGRQHSA-N 1 0 252.318 1.949 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(CO)CCC2)cc1 ZINC000184364763 391973934 /nfs/dbraw/zinc/97/39/34/391973934.db2.gz BOYVKSHAXBXHSW-UHFFFAOYSA-N 1 0 250.298 1.847 20 5 CDBDRO C[C@H]1CO[C@@H](CO)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000153335488 392063206 /nfs/dbraw/zinc/06/32/06/392063206.db2.gz FQIAFQDUOXNJOZ-SMDDNHRTSA-N 1 0 296.323 1.055 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000592213465 392095731 /nfs/dbraw/zinc/09/57/31/392095731.db2.gz PIGJWGOFTVRJLL-QWRGUYRKSA-N 1 0 294.355 1.562 20 5 CDBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C)[C@H]1C ZINC000419373479 392891642 /nfs/dbraw/zinc/89/16/42/392891642.db2.gz OICILMANOQWBLB-VWYCJHECSA-N 1 0 252.318 1.768 20 5 CDBDRO [NH3+]CCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418298626 392879307 /nfs/dbraw/zinc/87/93/07/392879307.db2.gz QKMKCZBTPFVDMO-GFCCVEGCSA-N 1 0 292.339 1.443 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000430218021 393092816 /nfs/dbraw/zinc/09/28/16/393092816.db2.gz IHYNWKXPWOYNMX-SKDRFNHKSA-N 1 0 266.297 1.559 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000430218016 393092904 /nfs/dbraw/zinc/09/29/04/393092904.db2.gz IHYNWKXPWOYNMX-JOYOIKCWSA-N 1 0 266.297 1.559 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430644394 393102985 /nfs/dbraw/zinc/10/29/85/393102985.db2.gz NGSYPQUURXSGSX-CYBMUJFWSA-N 1 0 293.367 1.905 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)NC1 ZINC000449134155 393130169 /nfs/dbraw/zinc/13/01/69/393130169.db2.gz HFJWZMYBZHLZSU-ZYHUDNBSSA-N 1 0 277.324 1.394 20 5 CDBDRO CCOC[C@@H](O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449165798 393132360 /nfs/dbraw/zinc/13/23/60/393132360.db2.gz XMGJSBIEPJALIL-AAEUAGOBSA-N 1 0 282.340 1.513 20 5 CDBDRO C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000449591408 393135623 /nfs/dbraw/zinc/13/56/23/393135623.db2.gz QGCBBBKSHCHGHH-VHSXEESVSA-N 1 0 281.312 1.216 20 5 CDBDRO Nc1c(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000449711354 393138514 /nfs/dbraw/zinc/13/85/14/393138514.db2.gz DHAAHFQRWGNXDY-BDAKNGLRSA-N 1 0 278.312 1.034 20 5 CDBDRO COc1ccc(NC(=O)C[NH2+]CC2CC2)cc1[N+](=O)[O-] ZINC000136477550 139893600 /nfs/dbraw/zinc/89/36/00/139893600.db2.gz RBBXITNWOXXFKF-UHFFFAOYSA-N 1 0 279.296 1.542 20 5 CDBDRO C[N@@H+]1CC[C@H](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000187651622 140081208 /nfs/dbraw/zinc/08/12/08/140081208.db2.gz QLKQRWMIHGCOTL-VIFPVBQESA-N 1 0 289.291 1.143 20 5 CDBDRO [NH3+]C[C@@H](Nc1ncc([N+](=O)[O-])s1)C1CCCC1 ZINC000236186156 140239223 /nfs/dbraw/zinc/23/92/23/140239223.db2.gz SWEKSKBIKORZKO-MRVPVSSYSA-N 1 0 256.331 1.981 20 5 CDBDRO COC[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCC[NH2+]1 ZINC000261758684 140385675 /nfs/dbraw/zinc/38/56/75/140385675.db2.gz NMIXFHJUSVDQQT-LBPRGKRZSA-N 1 0 299.352 1.155 20 5 CDBDRO Cc1c(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000261773605 140387452 /nfs/dbraw/zinc/38/74/52/140387452.db2.gz WERPXYBEBYBGRX-YPMHNXCESA-N 1 0 289.335 1.727 20 5 CDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000261785848 140389319 /nfs/dbraw/zinc/38/93/19/140389319.db2.gz XICWYGKPXORGFU-ZWKOPEQDSA-N 1 0 290.323 1.796 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000261841124 140397171 /nfs/dbraw/zinc/39/71/71/140397171.db2.gz VQNMXXIBBCPWFL-GXSJLCMTSA-N 1 0 299.352 1.013 20 5 CDBDRO O=[N+]([O-])c1ccccc1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000048559770 296515587 /nfs/dbraw/zinc/51/55/87/296515587.db2.gz ZHBCTHVKBDYSBK-GFCCVEGCSA-N 1 0 279.340 1.854 20 5 CDBDRO Cc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])nn1 ZINC000414439996 292098439 /nfs/dbraw/zinc/09/84/39/292098439.db2.gz LSHWIURSQHODNC-UHFFFAOYSA-N 1 0 287.323 1.659 20 5 CDBDRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000184824465 148374797 /nfs/dbraw/zinc/37/47/97/148374797.db2.gz VKGHUNLVZFXMJV-SKDRFNHKSA-N 1 0 295.314 1.868 20 5 CDBDRO COC[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000262381844 149055789 /nfs/dbraw/zinc/05/57/89/149055789.db2.gz XZBURFVIDWNYMG-KOLCDFICSA-N 1 0 281.312 1.054 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352665867 155337197 /nfs/dbraw/zinc/33/71/97/155337197.db2.gz GDNGBMLHVHXSGX-STQMWFEESA-N 1 0 280.324 1.949 20 5 CDBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000347099041 153413030 /nfs/dbraw/zinc/41/30/30/153413030.db2.gz JDCZQDJXYVXTNO-PWSUYJOCSA-N 1 0 278.308 1.978 20 5 CDBDRO Nc1cc(N)[nH+]c(SCc2c(F)cccc2[N+](=O)[O-])n1 ZINC000349004812 154027134 /nfs/dbraw/zinc/02/71/34/154027134.db2.gz LBICYAMPPPRGQR-UHFFFAOYSA-N 1 0 295.299 1.811 20 5 CDBDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000350321654 154364901 /nfs/dbraw/zinc/36/49/01/154364901.db2.gz RPZWGIHSOCEBMO-AWEZNQCLSA-N 1 0 296.323 1.653 20 5 CDBDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000350326127 154365127 /nfs/dbraw/zinc/36/51/27/154365127.db2.gz ZLNVVWQXNTUHSQ-AWEZNQCLSA-N 1 0 296.323 1.653 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)C1CCOCC1 ZINC000350392104 154373230 /nfs/dbraw/zinc/37/32/30/154373230.db2.gz NQGLTXZMVNTOGZ-OAHLLOKOSA-N 1 0 294.351 1.780 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351754326 154688260 /nfs/dbraw/zinc/68/82/60/154688260.db2.gz IYBIOVLIWMKDDY-VHSXEESVSA-N 1 0 293.323 1.413 20 5 CDBDRO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H](C)O ZINC000352214227 155029773 /nfs/dbraw/zinc/02/97/73/155029773.db2.gz YPKAYSVCKZFDNS-SECBINFHSA-N 1 0 278.312 1.674 20 5 CDBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C[C@@H](C)O ZINC000352230834 155042966 /nfs/dbraw/zinc/04/29/66/155042966.db2.gz MJALNKOJBBQIPR-LLVKDONJSA-N 1 0 298.339 1.685 20 5 CDBDRO CC[NH+](CC)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355607547 157143549 /nfs/dbraw/zinc/14/35/49/157143549.db2.gz MYKBKRVGNVVNEL-UHFFFAOYSA-N 1 0 296.323 1.988 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000356093586 157352605 /nfs/dbraw/zinc/35/26/05/157352605.db2.gz PWEHTSOSGYFUTM-UHFFFAOYSA-N 1 0 281.312 1.285 20 5 CDBDRO CCC[N@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000356095047 157352669 /nfs/dbraw/zinc/35/26/69/157352669.db2.gz QVGNDVXPTDTBEN-UHFFFAOYSA-N 1 0 278.312 1.675 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000358040090 157859772 /nfs/dbraw/zinc/85/97/72/157859772.db2.gz BNECENHJVSOYRZ-LNSITVRQSA-N 1 0 294.351 1.951 20 5 CDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1COCCO1 ZINC000358230612 157897217 /nfs/dbraw/zinc/89/72/17/157897217.db2.gz YLOMFMLWSXUSJI-GXTWGEPZSA-N 1 0 294.351 1.921 20 5 CDBDRO CCN(C)C(=O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000359121140 158132960 /nfs/dbraw/zinc/13/29/60/158132960.db2.gz DPPNHFCIZCXZSC-VURMDHGXSA-N 1 0 277.324 1.676 20 5 CDBDRO C[C@@]1([NH2+]CCn2cc([N+](=O)[O-])cn2)CCO[C@H]1C1CC1 ZINC000374634119 160302997 /nfs/dbraw/zinc/30/29/97/160302997.db2.gz YNEUXDTXAWCOBS-QWHCGFSZSA-N 1 0 280.328 1.339 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000020496742 171227268 /nfs/dbraw/zinc/22/72/68/171227268.db2.gz NBBHHFXVPZWQLO-VOTSOKGWSA-N 1 0 289.335 1.772 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C(N)=O ZINC000284880491 196150362 /nfs/dbraw/zinc/15/03/62/196150362.db2.gz QNWHOWMBHXQLRN-LDYMZIIASA-N 1 0 297.742 1.801 20 5 CDBDRO CCNC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035140723 172008394 /nfs/dbraw/zinc/00/83/94/172008394.db2.gz NWQGOGWFMQZPFT-VIFPVBQESA-N 1 0 251.286 1.382 20 5 CDBDRO C[C@H]([NH2+]CCNC(=O)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285089312 196194277 /nfs/dbraw/zinc/19/42/77/196194277.db2.gz JXSBITDWLGENCC-VIFPVBQESA-N 1 0 292.339 1.354 20 5 CDBDRO C[NH+](C)CC[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C(C)(C)C ZINC000285447956 196286832 /nfs/dbraw/zinc/28/68/32/196286832.db2.gz ISJOMZKOBAGUAV-JTQLQIEISA-N 1 0 297.359 1.414 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2COCCO2)cc1[N+](=O)[O-] ZINC000038060678 174071340 /nfs/dbraw/zinc/07/13/40/174071340.db2.gz SHMTVRIEENEFSZ-DGCLKSJQSA-N 1 0 280.324 1.969 20 5 CDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[NH2+]1 ZINC000040676237 174373741 /nfs/dbraw/zinc/37/37/41/174373741.db2.gz GLBCNPGVODQWEJ-CYBMUJFWSA-N 1 0 277.324 1.396 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000044537991 175199579 /nfs/dbraw/zinc/19/95/79/175199579.db2.gz WADNZQOQPWJWCH-VIFPVBQESA-N 1 0 291.311 1.885 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]([NH3+])C(C)C ZINC000070447071 175938855 /nfs/dbraw/zinc/93/88/55/175938855.db2.gz GVHLWYIHCHQFAW-LBPRGKRZSA-N 1 0 265.313 1.616 20 5 CDBDRO CC[C@@H]([NH2+]C[C@H](O)COC)c1cccc([N+](=O)[O-])c1 ZINC000071270546 176104035 /nfs/dbraw/zinc/10/40/35/176104035.db2.gz VLCDRUIJLIRHQL-QWHCGFSZSA-N 1 0 268.313 1.643 20 5 CDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CC[NH2+]C1 ZINC000071312652 176119096 /nfs/dbraw/zinc/11/90/96/176119096.db2.gz IIYCPLZCOXSSKW-MRVPVSSYSA-N 1 0 269.326 1.480 20 5 CDBDRO CCCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CC[NH2+]C1 ZINC000071315476 176121731 /nfs/dbraw/zinc/12/17/31/176121731.db2.gz NHIQUDRVZPJILZ-VIFPVBQESA-N 1 0 266.301 1.137 20 5 CDBDRO C[NH+](C)CCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000071862652 176279948 /nfs/dbraw/zinc/27/99/48/176279948.db2.gz KYRVBRATFXTFOS-UHFFFAOYSA-N 1 0 291.311 1.153 20 5 CDBDRO Cc1n[nH]c(C(=O)NCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000072060246 176311423 /nfs/dbraw/zinc/31/14/23/176311423.db2.gz BTBCSWFRDNDAEO-UHFFFAOYSA-N 1 0 295.343 1.232 20 5 CDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000078543534 177352184 /nfs/dbraw/zinc/35/21/84/177352184.db2.gz XLLMNRXJDLYOAL-LBPRGKRZSA-N 1 0 278.356 1.643 20 5 CDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCC1=CC[NH2+]CC1 ZINC000313536918 260300715 /nfs/dbraw/zinc/30/07/15/260300715.db2.gz SGRRWTSHWMOMJA-PLNGDYQASA-N 1 0 287.319 1.644 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]3C[NH2+]C[C@H]32)c(F)c1 ZINC000313590539 260303840 /nfs/dbraw/zinc/30/38/40/260303840.db2.gz ZHDMNRXEXCFLFB-IINYFYTJSA-N 1 0 279.315 1.918 20 5 CDBDRO CC1(CNC(=O)Cc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000129092016 260382499 /nfs/dbraw/zinc/38/24/99/260382499.db2.gz COPMKPDGCLOEFZ-UHFFFAOYSA-N 1 0 291.351 1.643 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000394569474 261672168 /nfs/dbraw/zinc/67/21/68/261672168.db2.gz QZSLDGPWBZNOTA-RQJHMYQMSA-N 1 0 271.704 1.714 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000397180689 270346645 /nfs/dbraw/zinc/34/66/45/270346645.db2.gz IVSCVWYPCUALLU-UHFFFAOYSA-N 1 0 269.276 1.591 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000320761206 265027624 /nfs/dbraw/zinc/02/76/24/265027624.db2.gz BLRLEFIRACAMML-MYEMAUTDSA-N 1 0 277.324 1.850 20 5 CDBDRO CC(=O)NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000047773487 424429759 /nfs/dbraw/zinc/42/97/59/424429759.db2.gz KBMDXQSOHFFARP-UHFFFAOYSA-N 1 0 291.351 1.943 20 5 CDBDRO COc1cc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c([N+](=O)[O-])cc1O ZINC000189338853 270276666 /nfs/dbraw/zinc/27/66/66/270276666.db2.gz DIWSEUCUDKLDRU-OLZOCXBDSA-N 1 0 296.323 1.558 20 5 CDBDRO CC[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+](CC)CC ZINC000269118467 270314467 /nfs/dbraw/zinc/31/44/67/270314467.db2.gz QDIASTRWFZBIFG-GFCCVEGCSA-N 1 0 297.359 1.028 20 5 CDBDRO Cc1cc(NC[C@@H]2C[NH2+]CCN2C)c(F)cc1[N+](=O)[O-] ZINC000394774682 270339050 /nfs/dbraw/zinc/33/90/50/270339050.db2.gz NSRMHWHXKGOKFU-JTQLQIEISA-N 1 0 282.319 1.358 20 5 CDBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H]1C[NH3+] ZINC000397285921 270348249 /nfs/dbraw/zinc/34/82/49/270348249.db2.gz UUJXSEQJLUPLHB-MXWKQRLJSA-N 1 0 294.355 1.379 20 5 CDBDRO CC(C)OCC[C@@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000515235210 270428140 /nfs/dbraw/zinc/42/81/40/270428140.db2.gz VYWIASAHSOWIAQ-OAHLLOKOSA-N 1 0 296.367 1.903 20 5 CDBDRO CC[C@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000118752715 273754845 /nfs/dbraw/zinc/75/48/45/273754845.db2.gz JIIBTBVXQOKSTF-LBPRGKRZSA-N 1 0 279.340 1.488 20 5 CDBDRO CO[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451632785 274063373 /nfs/dbraw/zinc/06/33/73/274063373.db2.gz PLCKRMZQSHDGNM-DGCLKSJQSA-N 1 0 293.323 1.690 20 5 CDBDRO COc1cc(C[NH2+][C@@H](C)C[C@H](C)O)c([N+](=O)[O-])cc1O ZINC000361030272 274094606 /nfs/dbraw/zinc/09/46/06/274094606.db2.gz JYOGQXAJDCGWAR-IUCAKERBSA-N 1 0 284.312 1.558 20 5 CDBDRO CNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181830852 277236253 /nfs/dbraw/zinc/23/62/53/277236253.db2.gz YOXCXVYLFRWNKO-SECBINFHSA-N 1 0 294.311 1.009 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000092027673 277280101 /nfs/dbraw/zinc/28/01/01/277280101.db2.gz BAFRHYNGSYTJJC-JTQLQIEISA-N 1 0 250.302 1.344 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CC[NH3+])c1 ZINC000349937784 277533132 /nfs/dbraw/zinc/53/31/32/277533132.db2.gz OHMJZELYHVRRSY-MRVPVSSYSA-N 1 0 283.353 1.784 20 5 CDBDRO COC[C@@H](CO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000280875401 277565162 /nfs/dbraw/zinc/56/51/62/277565162.db2.gz DCWFEWXRLYFVQM-RISCZKNCSA-N 1 0 280.324 1.569 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2C[C@H]3C[NH+](C)C[C@@H]3C2)c1 ZINC000338707143 277938559 /nfs/dbraw/zinc/93/85/59/277938559.db2.gz JRYFMHYVUHKXHW-GHMZBOCLSA-N 1 0 277.324 1.601 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000178755522 278174956 /nfs/dbraw/zinc/17/49/56/278174956.db2.gz MFXASMKGXVDHOM-SECBINFHSA-N 1 0 295.364 1.799 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000423513043 278351994 /nfs/dbraw/zinc/35/19/94/278351994.db2.gz BYFFCISWCBLYRP-MFKMUULPSA-N 1 0 265.313 1.234 20 5 CDBDRO C[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000235617193 278364613 /nfs/dbraw/zinc/36/46/13/278364613.db2.gz YEFKFBQTUGDNIR-WPRPVWTQSA-N 1 0 283.353 1.856 20 5 CDBDRO CC(C)(C[NH+]1CCCC1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000450947784 278611016 /nfs/dbraw/zinc/61/10/16/278611016.db2.gz CPAUXGCPEGQSGZ-UHFFFAOYSA-N 1 0 280.332 1.084 20 5 CDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])cn1 ZINC000286330415 278901012 /nfs/dbraw/zinc/90/10/12/278901012.db2.gz LLBMKOZQLLNHQZ-GHMZBOCLSA-N 1 0 277.328 1.448 20 5 CDBDRO CC[N@H+](C)CCNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271802462 279030205 /nfs/dbraw/zinc/03/02/05/279030205.db2.gz PLAUWKLVDMKZCA-NSHDSACASA-N 1 0 294.355 1.907 20 5 CDBDRO NC(=O)c1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000035231701 279140074 /nfs/dbraw/zinc/14/00/74/279140074.db2.gz NLZLHXGVMLEATF-UHFFFAOYSA-N 1 0 285.303 1.984 20 5 CDBDRO C[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090795117 280014687 /nfs/dbraw/zinc/01/46/87/280014687.db2.gz ZAUYEQCUJISKJM-VHSXEESVSA-N 1 0 250.302 1.884 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000262826382 280050087 /nfs/dbraw/zinc/05/00/87/280050087.db2.gz UBXCPCZQTHICPH-NXEZZACHSA-N 1 0 263.297 1.417 20 5 CDBDRO CCc1ccc(C(=O)NC[C@H](C)C[NH2+]C)cc1[N+](=O)[O-] ZINC000236963906 280149977 /nfs/dbraw/zinc/14/99/77/280149977.db2.gz CPJRDPGRZLRKFX-SNVBAGLBSA-N 1 0 279.340 1.743 20 5 CDBDRO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC000245597934 280223267 /nfs/dbraw/zinc/22/32/67/280223267.db2.gz SVCGOLMPXGARML-QWRGUYRKSA-N 1 0 265.313 1.487 20 5 CDBDRO C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000248861992 280388543 /nfs/dbraw/zinc/38/85/43/280388543.db2.gz ADVGSFHOMLWNFL-YPMHNXCESA-N 1 0 280.324 1.676 20 5 CDBDRO CC(C)c1ccc(C(=O)N[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000422740373 280600384 /nfs/dbraw/zinc/60/03/84/280600384.db2.gz BPSCEBDQCQGCFX-LLVKDONJSA-N 1 0 277.324 1.810 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CCO[C@H](C[NH3+])C2)c1 ZINC000165791244 281012775 /nfs/dbraw/zinc/01/27/75/281012775.db2.gz UAOXWJPPAGRFTN-SNVBAGLBSA-N 1 0 251.286 1.067 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)C[NH3+] ZINC000414652010 281018146 /nfs/dbraw/zinc/01/81/46/281018146.db2.gz CUDPQJLMBHXKPB-QMMMGPOBSA-N 1 0 266.301 1.620 20 5 CDBDRO C[NH+](C)C1(CNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000416293447 282029290 /nfs/dbraw/zinc/02/92/90/282029290.db2.gz VCKBVAWIAGVIPZ-UHFFFAOYSA-N 1 0 293.323 1.184 20 5 CDBDRO Cc1ccnc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000261599947 292779256 /nfs/dbraw/zinc/77/92/56/292779256.db2.gz PQNZNYMDVUEOFF-GHMZBOCLSA-N 1 0 262.313 1.486 20 5 CDBDRO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000573363812 294803975 /nfs/dbraw/zinc/80/39/75/294803975.db2.gz GIOSZBAFJSQHCO-OASPWFOLSA-N 1 0 266.297 1.659 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC(n2ccnc2)C1 ZINC000574550223 295017268 /nfs/dbraw/zinc/01/72/68/295017268.db2.gz OKMZJRDQCBMRMM-UHFFFAOYSA-N 1 0 276.300 1.377 20 5 CDBDRO COc1cccc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000423530042 295286500 /nfs/dbraw/zinc/28/65/00/295286500.db2.gz PBGDADHACNCTQQ-UWVGGRQHSA-N 1 0 293.323 1.413 20 5 CDBDRO Cc1c(CC(=O)N2CCC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000569573305 316805159 /nfs/dbraw/zinc/80/51/59/316805159.db2.gz OZKHVSQUHMLGSX-GFCCVEGCSA-N 1 0 291.351 1.643 20 5 CDBDRO C[C@H](CCCC[NH3+])NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000382253735 323637337 /nfs/dbraw/zinc/63/73/37/323637337.db2.gz AXQHLEMYKVOXOX-SECBINFHSA-N 1 0 268.317 1.181 20 5 CDBDRO Cc1c(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000382452974 323641596 /nfs/dbraw/zinc/64/15/96/323641596.db2.gz OHEHJEHCMNOJHJ-WDEREUQCSA-N 1 0 277.324 1.760 20 5 CDBDRO COC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000382576245 323648839 /nfs/dbraw/zinc/64/88/39/323648839.db2.gz UFLINIYRMUHXBE-RISCZKNCSA-N 1 0 282.340 1.951 20 5 CDBDRO CC1(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000384805891 323689588 /nfs/dbraw/zinc/68/95/88/323689588.db2.gz ZMGNNHMCWFUSKZ-WAYWQWQTSA-N 1 0 289.335 1.866 20 5 CDBDRO COCC(COC)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000388414560 323790173 /nfs/dbraw/zinc/79/01/73/323790173.db2.gz AGKVWVZYVGYKKB-SNVBAGLBSA-N 1 0 268.313 1.907 20 5 CDBDRO COCC[C@@]1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000580898572 324593751 /nfs/dbraw/zinc/59/37/51/324593751.db2.gz OMBMFDDXQZYFIY-OAHLLOKOSA-N 1 0 294.351 1.923 20 5 CDBDRO COCC[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000583019618 325089914 /nfs/dbraw/zinc/08/99/14/325089914.db2.gz HZJUVFKFVUKCLU-NSHDSACASA-N 1 0 295.339 1.938 20 5 CDBDRO CC/C=C\C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583377025 325162662 /nfs/dbraw/zinc/16/26/62/325162662.db2.gz UKKVRYAVGQROSC-ARJAWSKDSA-N 1 0 298.364 1.924 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000584290661 327222571 /nfs/dbraw/zinc/22/25/71/327222571.db2.gz WSKATQIQRYBFCK-UHFFFAOYSA-N 1 0 285.731 1.978 20 5 CDBDRO CC[C@@](C)(O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134757622 1175820242 /nfs/dbraw/zinc/82/02/42/1175820242.db2.gz CYNIAERLHBRFLL-CHWSQXEVSA-N 1 0 268.313 1.379 20 5 CDBDRO CC(C)[C@H]([NH3+])CCN(C)c1nn(C)cc1[N+](=O)[O-] ZINC000231672447 1178175610 /nfs/dbraw/zinc/17/56/10/1178175610.db2.gz SIVZJSHKPFSHMX-SECBINFHSA-N 1 0 255.322 1.138 20 5 CDBDRO [NH3+]Cc1cnn(-c2nc(Cl)cc(Cl)c2[N+](=O)[O-])c1 ZINC001157471506 1162106114 /nfs/dbraw/zinc/10/61/14/1162106114.db2.gz GTQACAFSOSMWSN-UHFFFAOYSA-N 1 0 288.094 1.941 20 5 CDBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])c[nH]1)C(C)C ZINC000338715120 521071790 /nfs/dbraw/zinc/07/17/90/521071790.db2.gz FFFXDMGTJZNCRR-UHFFFAOYSA-N 1 0 268.317 1.383 20 5 CDBDRO COC[C@@H](O)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000338479876 522417263 /nfs/dbraw/zinc/41/72/63/522417263.db2.gz YNXZAHNUPRSIPL-MUAYPFOZSA-N 1 0 280.324 1.595 20 5 CDBDRO CCC[NH+]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@@H]2C1 ZINC001157691430 1162287588 /nfs/dbraw/zinc/28/75/88/1162287588.db2.gz PMJLUQIPXBVYLY-QWRGUYRKSA-N 1 0 294.330 1.907 20 5 CDBDRO C[C@H](Cn1ccnc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000035275178 524789796 /nfs/dbraw/zinc/78/97/96/524789796.db2.gz YGCKMHBSCDZDCE-LLVKDONJSA-N 1 0 260.297 1.970 20 5 CDBDRO C[C@@H]([NH3+])C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000226780385 524993310 /nfs/dbraw/zinc/99/33/10/524993310.db2.gz YRXCLSHIZUPLIX-SSDOTTSWSA-N 1 0 256.331 1.615 20 5 CDBDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](CO)O1)c1cccc([N+](=O)[O-])c1 ZINC000340411041 525394700 /nfs/dbraw/zinc/39/47/00/525394700.db2.gz CBASWHAWTSCVOH-LEWSCRJBSA-N 1 0 280.324 1.785 20 5 CDBDRO Cc1c(CC(=O)NCC[NH+]2CCC2)cccc1[N+](=O)[O-] ZINC000337302013 525691796 /nfs/dbraw/zinc/69/17/96/525691796.db2.gz PCCBVDIZAOEQQE-UHFFFAOYSA-N 1 0 277.324 1.268 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCC[NH+]1CCC1 ZINC000337305656 526602295 /nfs/dbraw/zinc/60/22/95/526602295.db2.gz UDJMAKUCGUZFMW-UHFFFAOYSA-N 1 0 277.324 1.349 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1(CO)CCOCC1 ZINC000069248909 527401013 /nfs/dbraw/zinc/40/10/13/527401013.db2.gz QUNBWJMONKXZQJ-UHFFFAOYSA-N 1 0 266.297 1.226 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCCCC1 ZINC000050707962 527503421 /nfs/dbraw/zinc/50/34/21/527503421.db2.gz OVFJDHMKEWKGDO-UHFFFAOYSA-N 1 0 292.339 1.393 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000132773807 528528062 /nfs/dbraw/zinc/52/80/62/528528062.db2.gz DZBFUTHNINRRRV-NSHDSACASA-N 1 0 285.731 1.961 20 5 CDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000296742899 529354445 /nfs/dbraw/zinc/35/44/45/529354445.db2.gz ARGGLFYRSDRLLO-SNVBAGLBSA-N 1 0 280.328 1.479 20 5 CDBDRO CC[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000177135764 529371754 /nfs/dbraw/zinc/37/17/54/529371754.db2.gz BXUCAUZHODPWNO-LBPRGKRZSA-N 1 0 251.286 1.338 20 5 CDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000733166448 575102732 /nfs/dbraw/zinc/10/27/32/575102732.db2.gz PVMHEGMBEKAHRU-CQSZACIVSA-N 1 0 293.367 1.840 20 5 CDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000770545374 575464163 /nfs/dbraw/zinc/46/41/63/575464163.db2.gz MIWLMLPIWCOXAC-SNVBAGLBSA-N 1 0 296.327 1.011 20 5 CDBDRO O=C(CC[NH2+][C@@H](CO)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000771806117 575615055 /nfs/dbraw/zinc/61/50/55/575615055.db2.gz IAYWQBPMTOJTCB-ZDUSSCGKSA-N 1 0 293.323 1.284 20 5 CDBDRO CC[N@H+](C[C@@H]1CCOC1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000738081469 576036969 /nfs/dbraw/zinc/03/69/69/576036969.db2.gz LAJHJDUBJTZMPE-LBPRGKRZSA-N 1 0 282.344 1.724 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](CO)C1CC1 ZINC000763062951 576706480 /nfs/dbraw/zinc/70/64/80/576706480.db2.gz AIBSVCVSIBTKLP-NSHDSACASA-N 1 0 254.261 1.594 20 5 CDBDRO O=[N+]([O-])c1ccc(NC(=S)NCC[NH+]2CCC2)cc1 ZINC000752770735 577125842 /nfs/dbraw/zinc/12/58/42/577125842.db2.gz AETNBZKZTHZWFU-UHFFFAOYSA-N 1 0 280.353 1.587 20 5 CDBDRO C[C@@H](NC(=O)NCC1C[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000892047715 617440904 /nfs/dbraw/zinc/44/09/04/617440904.db2.gz AYOCYXWJDWYOQU-SECBINFHSA-N 1 0 278.312 1.174 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)Cc1cccnc1 ZINC000934226300 617497555 /nfs/dbraw/zinc/49/75/55/617497555.db2.gz HSRIYUCBCPGWES-LLVKDONJSA-N 1 0 289.339 1.716 20 5 CDBDRO C[C@H]1C[NH+](CCCNc2c([N+](=O)[O-])cnn2C)C[C@H](C)O1 ZINC000891675312 617533627 /nfs/dbraw/zinc/53/36/27/617533627.db2.gz RUVKAVZIACJZNL-QWRGUYRKSA-N 1 0 297.359 1.240 20 5 CDBDRO CC(C)(COC(=O)c1ccc2c[nH+]cn2c1)[N+](=O)[O-] ZINC000851128709 617575425 /nfs/dbraw/zinc/57/54/25/617575425.db2.gz CIOWCISMLJFMQP-UHFFFAOYSA-N 1 0 263.253 1.546 20 5 CDBDRO C[C@@]1(NC(=O)c2ccccc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC000892799096 617765737 /nfs/dbraw/zinc/76/57/37/617765737.db2.gz ILZICPCOQYSAJA-OAHLLOKOSA-N 1 0 289.335 1.809 20 5 CDBDRO CC[N@@H+]1CCN(c2ccc3nonc3c2[N+](=O)[O-])C[C@@H]1C ZINC000892972383 618001816 /nfs/dbraw/zinc/00/18/16/618001816.db2.gz XXXSXDSRLGBPLE-VIFPVBQESA-N 1 0 291.311 1.661 20 5 CDBDRO Cc1c(-c2noc(C3(N)CC3)n2)cccc1[N+](=O)[O-] ZINC000843237989 618063406 /nfs/dbraw/zinc/06/34/06/618063406.db2.gz KAAISCFELIIZGA-UHFFFAOYSA-N 1 0 260.253 1.901 20 5 CDBDRO C[N@@H+]1C[C@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893938224 618199583 /nfs/dbraw/zinc/19/95/83/618199583.db2.gz CIZJBCQRTWCXRB-LDYMZIIASA-N 1 0 282.731 1.784 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000893120511 618201144 /nfs/dbraw/zinc/20/11/44/618201144.db2.gz ZZFPWFVZOOHVDA-SNVBAGLBSA-N 1 0 294.311 1.891 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1COCO1 ZINC000894870166 619111406 /nfs/dbraw/zinc/11/14/06/619111406.db2.gz IVRGPCUVPKBDNN-KTLBGCOUSA-N 1 0 264.281 1.571 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@@H]2CO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000895125261 619320438 /nfs/dbraw/zinc/32/04/38/619320438.db2.gz SOSWGHGPVWYXNP-WPRPVWTQSA-N 1 0 282.296 1.576 20 5 CDBDRO Cc1nc(N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000895245966 619491951 /nfs/dbraw/zinc/49/19/51/619491951.db2.gz KSAMRHORHAZNOH-WCQYABFASA-N 1 0 293.371 1.344 20 5 CDBDRO Cc1ccc(C(=O)N2CC[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000148069102 620257833 /nfs/dbraw/zinc/25/78/33/620257833.db2.gz XKQOFOLHHHCKRU-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO CCCOCc1ccccc1C[NH2+]CC[N+](=O)[O-] ZINC000899870103 622495995 /nfs/dbraw/zinc/49/59/95/622495995.db2.gz DNBVFSQLEMENGS-UHFFFAOYSA-N 1 0 252.314 1.980 20 5 CDBDRO Cc1ccccc1C[NH+]1CCC(NCC[N+](=O)[O-])CC1 ZINC000899871719 622496722 /nfs/dbraw/zinc/49/67/22/622496722.db2.gz STHOBFIAMIFLDT-UHFFFAOYSA-N 1 0 277.368 1.826 20 5 CDBDRO COc1ccc(C2(C[NH2+]CC[N+](=O)[O-])CCOCC2)cc1 ZINC000899872386 622502611 /nfs/dbraw/zinc/50/26/11/622502611.db2.gz AHLSOYIGPLEYDZ-UHFFFAOYSA-N 1 0 294.351 1.610 20 5 CDBDRO O=[N+]([O-])CC[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000905047090 626384655 /nfs/dbraw/zinc/38/46/55/626384655.db2.gz RWEJAQRNVIORPV-UHFFFAOYSA-N 1 0 278.230 1.994 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCSCc1ccccc1F ZINC000905023203 626389522 /nfs/dbraw/zinc/38/95/22/626389522.db2.gz GAHBPNOGDDCLOF-UHFFFAOYSA-N 1 0 258.318 1.925 20 5 CDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000905133643 626647948 /nfs/dbraw/zinc/64/79/48/626647948.db2.gz QXSHEIHIBAHEEM-ZFWWWQNUSA-N 1 0 293.367 1.142 20 5 CDBDRO COc1cc(OC)cc(N2CC[C@H]([NH2+]CC[N+](=O)[O-])C2)c1 ZINC000905148756 626659892 /nfs/dbraw/zinc/65/98/92/626659892.db2.gz PGKNJOVWSNHIKE-NSHDSACASA-N 1 0 295.339 1.149 20 5 CDBDRO COc1cccc(C(C)(C)C[NH2+]CC[N+](=O)[O-])c1 ZINC000905179652 626663481 /nfs/dbraw/zinc/66/34/81/626663481.db2.gz KYXADZBMANTYJO-UHFFFAOYSA-N 1 0 252.314 1.839 20 5 CDBDRO COc1ccccc1C1(C[NH2+]CC[N+](=O)[O-])CCC1 ZINC000905212365 626694276 /nfs/dbraw/zinc/69/42/76/626694276.db2.gz KIIHHVCRPHXOSR-UHFFFAOYSA-N 1 0 264.325 1.983 20 5 CDBDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905293699 626722350 /nfs/dbraw/zinc/72/23/50/626722350.db2.gz WRDIYERXIKMTCD-LBPRGKRZSA-N 1 0 265.357 1.858 20 5 CDBDRO O=[N+]([O-])CC[NH2+]Cc1cccc(COC[C@H]2CCCO2)c1 ZINC000905384251 626779957 /nfs/dbraw/zinc/77/99/57/626779957.db2.gz VHCAXOADWYHAOB-OAHLLOKOSA-N 1 0 294.351 1.749 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC[C@@H](O)C2CC2)c1 ZINC000905690215 626918400 /nfs/dbraw/zinc/91/84/00/626918400.db2.gz GITPBEYETFSSCC-ZIAGYGMSSA-N 1 0 280.324 1.379 20 5 CDBDRO O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000911647055 629392217 /nfs/dbraw/zinc/39/22/17/629392217.db2.gz NIQQECBSQYYADL-STQMWFEESA-N 1 0 275.308 1.130 20 5 CDBDRO O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCC[NH2+]CC1 ZINC000911656801 629402718 /nfs/dbraw/zinc/40/27/18/629402718.db2.gz UYFGRCRNJUTAQH-KBPBESRZSA-N 1 0 289.335 1.520 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000911657580 629403748 /nfs/dbraw/zinc/40/37/48/629403748.db2.gz WIHRXMZJAWZKRV-XBFCOCLRSA-N 1 0 289.335 1.519 20 5 CDBDRO C[NH+](C)CCCOC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000917509891 632231081 /nfs/dbraw/zinc/23/10/81/632231081.db2.gz SKWZUJDONZBZCT-UHFFFAOYSA-N 1 0 296.279 1.432 20 5 CDBDRO CC(C)(CCC(=O)N1CC[NH+](CC2CC2)CC1)[N+](=O)[O-] ZINC000822621694 682617800 /nfs/dbraw/zinc/61/78/00/682617800.db2.gz TWQVMZUWPPALSX-UHFFFAOYSA-N 1 0 283.372 1.376 20 5 CDBDRO [NH3+]CCC1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000070187690 679755593 /nfs/dbraw/zinc/75/55/93/679755593.db2.gz KUQCKBGYIQFHKE-UHFFFAOYSA-N 1 0 295.314 1.935 20 5 CDBDRO COc1ccc(NC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)cc1[N+](=O)[O-] ZINC000127625642 679767038 /nfs/dbraw/zinc/76/70/38/679767038.db2.gz MEPZGCBYQMMPFE-KOLCDFICSA-N 1 0 293.323 1.930 20 5 CDBDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850579459 679778391 /nfs/dbraw/zinc/77/83/91/679778391.db2.gz XSHBRFZDXDXNHF-HGNGGELXSA-N 1 0 251.286 1.351 20 5 CDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)n1cc([C@H](C)[NH3+])nn1 ZINC000881100278 679791423 /nfs/dbraw/zinc/79/14/23/679791423.db2.gz GBKNFPVQVXVVKF-DTWKUNHWSA-N 1 0 261.285 1.815 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000882486037 679798617 /nfs/dbraw/zinc/79/86/17/679798617.db2.gz OBYHTAPGCKBEQA-LBPRGKRZSA-N 1 0 277.324 1.727 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1 ZINC000886575026 679803848 /nfs/dbraw/zinc/80/38/48/679803848.db2.gz CBTPMOKWPHGHOB-PMOUVXMZSA-N 1 0 292.335 1.331 20 5 CDBDRO [NH3+]C1CCC(NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000051692573 679820760 /nfs/dbraw/zinc/82/07/60/679820760.db2.gz GTKAVISJWFTVAH-UHFFFAOYSA-N 1 0 263.297 1.595 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000128931499 679821897 /nfs/dbraw/zinc/82/18/97/679821897.db2.gz CASFIXJMCMDGGH-QMMMGPOBSA-N 1 0 283.715 1.682 20 5 CDBDRO [NH2+]=C(NCCc1ccc([N+](=O)[O-])cc1)NCC1CC1 ZINC000887351541 679831668 /nfs/dbraw/zinc/83/16/68/679831668.db2.gz SURFDXMBWGOTMQ-UHFFFAOYSA-N 1 0 262.313 1.661 20 5 CDBDRO CCC1([NH+]2CCC2)CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000884474489 679842161 /nfs/dbraw/zinc/84/21/61/679842161.db2.gz BMRUHUXATVYUBN-UHFFFAOYSA-N 1 0 293.371 1.699 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000070172211 679850391 /nfs/dbraw/zinc/85/03/91/679850391.db2.gz HMSXMGLWYCCHMM-VHSXEESVSA-N 1 0 280.328 1.133 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCN2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000420402341 679852949 /nfs/dbraw/zinc/85/29/49/679852949.db2.gz LZPPTWCQDHBCPI-OAHLLOKOSA-N 1 0 291.351 1.802 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1COCCO1 ZINC000866237830 681568837 /nfs/dbraw/zinc/56/88/37/681568837.db2.gz HWMKKOPGEQTFHX-MFKMUULPSA-N 1 0 298.314 1.670 20 5 CDBDRO O=[N+]([O-])CC[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000791051338 681575837 /nfs/dbraw/zinc/57/58/37/681575837.db2.gz BCSTVOQPIAWRMB-AWEZNQCLSA-N 1 0 264.325 1.635 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@H](CCCO)C2)cc1 ZINC000832781256 681814384 /nfs/dbraw/zinc/81/43/84/681814384.db2.gz AIMDAXALYIWMIM-WFASDCNBSA-N 1 0 294.351 1.723 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cn2nccc2[N+](=O)[O-])C1 ZINC000840152805 681848945 /nfs/dbraw/zinc/84/89/45/681848945.db2.gz OFHJHIIOQVNNLH-LLVKDONJSA-N 1 0 267.333 1.163 20 5 CDBDRO CN(CCn1cc([N+](=O)[O-])cn1)C1(C[NH3+])CCCCC1 ZINC000883454141 681868201 /nfs/dbraw/zinc/86/82/01/681868201.db2.gz QIFBYQSFCPZAJY-UHFFFAOYSA-N 1 0 281.360 1.385 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCCOCC2)c1 ZINC000819211245 681880380 /nfs/dbraw/zinc/88/03/80/681880380.db2.gz XOMQXZBUIYZZSB-JSGCOSHPSA-N 1 0 280.324 1.787 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](CF)C1 ZINC000880299821 681881547 /nfs/dbraw/zinc/88/15/47/681881547.db2.gz YBJWMKFJJXBESF-RYUDHWBXSA-N 1 0 298.314 1.626 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000886837353 681954216 /nfs/dbraw/zinc/95/42/16/681954216.db2.gz FSBFNGIMRZTZIT-AWEZNQCLSA-N 1 0 299.334 1.531 20 5 CDBDRO CC(C)[C@@H](CO)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000092400219 681977608 /nfs/dbraw/zinc/97/76/08/681977608.db2.gz YZTQJXPEWIGSRN-LLVKDONJSA-N 1 0 256.277 1.840 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2O)c1 ZINC000843062274 682095385 /nfs/dbraw/zinc/09/53/85/682095385.db2.gz HEBSUVAFJAMLII-JHJVBQTASA-N 1 0 266.297 1.131 20 5 CDBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](CO)C(C)(C)C ZINC000776591361 682263674 /nfs/dbraw/zinc/26/36/74/682263674.db2.gz OBFSZVBSRCNDPY-ZIAGYGMSSA-N 1 0 296.367 1.967 20 5 CDBDRO CC[S@](=O)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848532132 682319165 /nfs/dbraw/zinc/31/91/65/682319165.db2.gz ZVLBZXCZAWVZFQ-BUXKBTBVSA-N 1 0 282.365 1.940 20 5 CDBDRO CN(CCC[NH+](C)C)c1cc(F)c([N+](=O)[O-])cc1CO ZINC000865658134 682330859 /nfs/dbraw/zinc/33/08/59/682330859.db2.gz HTWNCFDLTMYUQU-UHFFFAOYSA-N 1 0 285.319 1.614 20 5 CDBDRO COc1ccc(OCC[NH2+][C@@H]2COC[C@H]2C)c([N+](=O)[O-])c1 ZINC000932495697 682331210 /nfs/dbraw/zinc/33/12/10/682331210.db2.gz FUJQONVBINDSRF-ZYHUDNBSSA-N 1 0 296.323 1.607 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000882479098 682344324 /nfs/dbraw/zinc/34/43/24/682344324.db2.gz MQIOQEKOBPQMOI-NSHDSACASA-N 1 0 292.339 1.461 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCCC[C@@H]1C[NH3+] ZINC000261605321 682374782 /nfs/dbraw/zinc/37/47/82/682374782.db2.gz RICRCXPIGUGQLI-SNVBAGLBSA-N 1 0 267.333 1.437 20 5 CDBDRO CC(C)[C@@H](CO)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843081104 682435978 /nfs/dbraw/zinc/43/59/78/682435978.db2.gz PCVDBRYNLBEVHF-OCCSQVGLSA-N 1 0 282.340 1.482 20 5 CDBDRO CC[C@@H](COC)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819089202 682449133 /nfs/dbraw/zinc/44/91/33/682449133.db2.gz HSVXLVIXLCKGFN-AAEUAGOBSA-N 1 0 268.313 1.643 20 5 CDBDRO C[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CC[C@@H]1[NH3+] ZINC000261807176 682505263 /nfs/dbraw/zinc/50/52/63/682505263.db2.gz RXERXRAUEWDAAV-CBAPKCEASA-N 1 0 293.352 1.773 20 5 CDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CC[NH2+]1 ZINC000818487244 682513157 /nfs/dbraw/zinc/51/31/57/682513157.db2.gz PVDRBGDEIFBMBY-LLVKDONJSA-N 1 0 283.715 1.569 20 5 CDBDRO CC(C)[NH+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776276947 682544583 /nfs/dbraw/zinc/54/45/83/682544583.db2.gz LYRRBBDQUBAFGL-OAHLLOKOSA-N 1 0 293.367 1.654 20 5 CDBDRO C[C@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])C[NH+](C)C ZINC000868512817 682625701 /nfs/dbraw/zinc/62/57/01/682625701.db2.gz GTFIIJNCPUXSHY-SNVBAGLBSA-N 1 0 297.330 1.590 20 5 CDBDRO C[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1CO ZINC000886295718 682628014 /nfs/dbraw/zinc/62/80/14/682628014.db2.gz IMJKWHOYMUPTOR-CMPLNLGQSA-N 1 0 265.313 1.440 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000070303732 682670231 /nfs/dbraw/zinc/67/02/31/682670231.db2.gz BGBDKXWNNRHTOO-UHFFFAOYSA-N 1 0 255.249 1.025 20 5 CDBDRO Cc1cnc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000090824873 682700982 /nfs/dbraw/zinc/70/09/82/682700982.db2.gz KRBCUDIMASFGPW-VXGBXAGGSA-N 1 0 292.339 1.573 20 5 CDBDRO CC(C)(CCC(=O)O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[N+](=O)[O-] ZINC000835395501 682708819 /nfs/dbraw/zinc/70/88/19/682708819.db2.gz GMVJDBKLDLOMTD-NEPJUHHUSA-N 1 0 284.356 1.992 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCCN(C=O)CC1 ZINC000877641679 682723415 /nfs/dbraw/zinc/72/34/15/682723415.db2.gz FFFFVEANXPDOLH-UHFFFAOYSA-N 1 0 291.351 1.876 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc(C[C@@H]3CCC[NH2+]3)n2)o1 ZINC000843238238 682762650 /nfs/dbraw/zinc/76/26/50/682762650.db2.gz LOUUHMBFJUFZJF-ZETCQYMHSA-N 1 0 264.241 1.532 20 5 CDBDRO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886249566 682802359 /nfs/dbraw/zinc/80/23/59/682802359.db2.gz NLSIQDYHCZRGLG-JQWIXIFHSA-N 1 0 265.313 1.583 20 5 CDBDRO CC(C)CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867943022 682827713 /nfs/dbraw/zinc/82/77/13/682827713.db2.gz JVJMADVISWHEAD-ZDUSSCGKSA-N 1 0 265.313 1.541 20 5 CDBDRO Nc1ccc(-c2noc(C3(C[NH3+])CC3)n2)cc1[N+](=O)[O-] ZINC000843169444 682831267 /nfs/dbraw/zinc/83/12/67/682831267.db2.gz IYDKCVIAHYJVGX-UHFFFAOYSA-N 1 0 275.268 1.217 20 5 CDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1CCO ZINC000829015210 683168644 /nfs/dbraw/zinc/16/86/44/683168644.db2.gz ANFGVCRNTAXBQW-TXEJJXNPSA-N 1 0 279.340 1.486 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H](CO)C2)cc1 ZINC000776272271 683390587 /nfs/dbraw/zinc/39/05/87/683390587.db2.gz SJMHCOUJQDWWAP-BXUZGUMPSA-N 1 0 280.324 1.333 20 5 CDBDRO CC(=O)NCCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866220008 683580577 /nfs/dbraw/zinc/58/05/77/683580577.db2.gz CCKFYNPRMAMMTH-SNVBAGLBSA-N 1 0 297.330 1.781 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000054264127 683613716 /nfs/dbraw/zinc/61/37/16/683613716.db2.gz UZLZKWDMNJJMIJ-UHFFFAOYSA-N 1 0 285.731 1.978 20 5 CDBDRO CCOCC[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776606467 683646793 /nfs/dbraw/zinc/64/67/93/683646793.db2.gz WYVUOWGQPLRBJH-ZDUSSCGKSA-N 1 0 268.313 1.597 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@H](COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000842830146 683651215 /nfs/dbraw/zinc/65/12/15/683651215.db2.gz SRKKNJYMKAFORU-QJPTWQEYSA-N 1 0 270.329 1.315 20 5 CDBDRO CC[N@@H+]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)C[C@@H]1C ZINC000865638947 683681844 /nfs/dbraw/zinc/68/18/44/683681844.db2.gz JSHZYNVEYBZHBW-JTQLQIEISA-N 1 0 297.330 1.757 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000261575334 683742093 /nfs/dbraw/zinc/74/20/93/683742093.db2.gz BMFAACFTFSWUMN-NXEZZACHSA-N 1 0 263.297 1.465 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[NH2+]C2)c1 ZINC000133838357 683747093 /nfs/dbraw/zinc/74/70/93/683747093.db2.gz QJMYPSBGCHHJJR-SECBINFHSA-N 1 0 251.286 1.625 20 5 CDBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000058233593 683763587 /nfs/dbraw/zinc/76/35/87/683763587.db2.gz KIIAIVUDENCPHV-SECBINFHSA-N 1 0 283.715 1.682 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000063192394 683831538 /nfs/dbraw/zinc/83/15/38/683831538.db2.gz FXPJOUQCLOTRSU-WCBMZHEXSA-N 1 0 283.353 1.998 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000877592057 683852892 /nfs/dbraw/zinc/85/28/92/683852892.db2.gz KRQHCYIZIVQFKQ-SWLSCSKDSA-N 1 0 294.351 1.387 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](C)O ZINC000866212770 683862141 /nfs/dbraw/zinc/86/21/41/683862141.db2.gz VJOPEMVNNCNICB-BDAKNGLRSA-N 1 0 256.277 1.635 20 5 CDBDRO O=C(OCCC[NH+]1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840672721 683866825 /nfs/dbraw/zinc/86/68/25/683866825.db2.gz FDCNBTHTLLYMPK-GHMZBOCLSA-N 1 0 256.302 1.071 20 5 CDBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852559233 683937309 /nfs/dbraw/zinc/93/73/09/683937309.db2.gz HJLYJFKJMJDNEM-LERXQTSPSA-N 1 0 280.324 1.473 20 5 CDBDRO C[C@H](C[NH3+])c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000822861621 684062406 /nfs/dbraw/zinc/06/24/06/684062406.db2.gz CWBIINRMRGKSDB-SSDOTTSWSA-N 1 0 263.257 1.026 20 5 CDBDRO C[NH+](C)CC[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)(C)C ZINC000839685221 684080330 /nfs/dbraw/zinc/08/03/30/684080330.db2.gz PBBPIBBDSZYSBN-GMTAPVOTSA-N 1 0 271.361 1.134 20 5 CDBDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886249928 684086784 /nfs/dbraw/zinc/08/67/84/684086784.db2.gz WFRVNWLTBSVWFI-QWRGUYRKSA-N 1 0 265.313 1.440 20 5 CDBDRO C[NH+](C)CCCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000929161257 684087190 /nfs/dbraw/zinc/08/71/90/684087190.db2.gz ORLLHAMSXWSREM-ZIAGYGMSSA-N 1 0 291.351 1.766 20 5 CDBDRO O=c1c([N+](=O)[O-])cc(Cl)cn1CC[NH+]1CCCC1 ZINC000789956795 684091933 /nfs/dbraw/zinc/09/19/33/684091933.db2.gz YUIRWWQXXPMIDA-UHFFFAOYSA-N 1 0 271.704 1.506 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])C[C@H]21 ZINC000858561839 684096567 /nfs/dbraw/zinc/09/65/67/684096567.db2.gz AJJBZTOCMARVIU-GDGBQDQQSA-N 1 0 292.295 1.499 20 5 CDBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C2)C1 ZINC000832869929 684275329 /nfs/dbraw/zinc/27/53/29/684275329.db2.gz AIMSHMSROPGSNK-HNNXBMFYSA-N 1 0 297.399 1.766 20 5 CDBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCOC1 ZINC000776583314 684293158 /nfs/dbraw/zinc/29/31/58/684293158.db2.gz ZRLXRMWLEOJJLO-IUODEOHRSA-N 1 0 294.351 1.987 20 5 CDBDRO CC[C@]([NH3+])(CO)N[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170315379 1162334456 /nfs/dbraw/zinc/33/44/56/1162334456.db2.gz XJDKDCGADAVDLH-QMTHXVAHSA-N 1 0 297.355 1.181 20 5 CDBDRO CCOc1nc(N2CCC[C@@H]([NH3+])[C@@H]2C)ccc1[N+](=O)[O-] ZINC001157745581 1162387803 /nfs/dbraw/zinc/38/78/03/1162387803.db2.gz NZLJSZLOZZALAS-VHSXEESVSA-N 1 0 280.328 1.705 20 5 CDBDRO CC(C)N(c1cc(N)c([N+](=O)[O-])cn1)[C@H]1CC[NH2+]C1 ZINC001158026572 1162690505 /nfs/dbraw/zinc/69/05/05/1162690505.db2.gz YPEXQXNKYNNPDF-VIFPVBQESA-N 1 0 265.317 1.149 20 5 CDBDRO COc1cc([N+](=O)[O-])c(N[C@@H](C)[C@@H]2C[NH2+]CCO2)cc1F ZINC001170567741 1162950994 /nfs/dbraw/zinc/95/09/94/1162950994.db2.gz LPNDZSIWTWLADF-SDBXPKJASA-N 1 0 299.302 1.531 20 5 CDBDRO COc1cc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)cc([N+](=O)[O-])c1C ZINC001170574872 1162984604 /nfs/dbraw/zinc/98/46/04/1162984604.db2.gz UNAKVRSWKMEQAC-HZMBPMFUSA-N 1 0 295.339 1.701 20 5 CDBDRO Nc1nc(N2CC[C@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC000709828764 1159905095 /nfs/dbraw/zinc/90/50/95/1159905095.db2.gz QZQWIHDXMPFXNC-CYBMUJFWSA-N 1 0 277.328 1.152 20 5 CDBDRO [NH3+][C@@H]1CCc2nn(-c3ccc4nc[nH]c4c3[N+](=O)[O-])cc2C1 ZINC001168821968 1161988916 /nfs/dbraw/zinc/98/89/16/1161988916.db2.gz UMTFJYPVWIAZTE-SECBINFHSA-N 1 0 298.306 1.473 20 5 CDBDRO [NH3+][C@@H]1CCc2nn(-c3c(Cl)cncc3[N+](=O)[O-])cc2C1 ZINC001168822919 1161989422 /nfs/dbraw/zinc/98/94/22/1161989422.db2.gz YOAJFOGBABGLDP-MRVPVSSYSA-N 1 0 293.714 1.645 20 5 CDBDRO CCOC(=O)N1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168967902 1161996291 /nfs/dbraw/zinc/99/62/91/1161996291.db2.gz UKPZVGUECMOGGJ-YPMHNXCESA-N 1 0 299.371 1.642 20 5 CDBDRO COc1ccc(CO[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000051787206 1166745312 /nfs/dbraw/zinc/74/53/12/1166745312.db2.gz REZLTULFCOJSSI-LLVKDONJSA-N 1 0 266.297 1.872 20 5 CDBDRO [NH3+][C@@H]1Cc2ccccc2N(c2cc([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001155298513 1167119859 /nfs/dbraw/zinc/11/98/59/1167119859.db2.gz UBSBSCMPHUSCID-LLVKDONJSA-N 1 0 286.291 1.250 20 5 CDBDRO CCN(C(=O)c1cccc([N+](=O)[O-])c1C)[C@@H]1CC[NH2+]C1 ZINC000058233933 1167220675 /nfs/dbraw/zinc/22/06/75/1167220675.db2.gz ZWKHJQJBOQANEV-LLVKDONJSA-N 1 0 277.324 1.727 20 5 CDBDRO CC[C@]1(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000062895345 1169089345 /nfs/dbraw/zinc/08/93/45/1169089345.db2.gz SDJBEZXINOJOEI-HNNXBMFYSA-N 1 0 291.351 1.943 20 5 CDBDRO Nc1ccc(NC(=O)C2(C[NH3+])CCCC2)cc1[N+](=O)[O-] ZINC001574270928 1170937369 /nfs/dbraw/zinc/93/73/69/1170937369.db2.gz ZINNKOHBJMABRB-UHFFFAOYSA-N 1 0 278.312 1.635 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001576087438 1171328481 /nfs/dbraw/zinc/32/84/81/1171328481.db2.gz AMVUWIYZHSKABO-HTQZYQBOSA-N 1 0 281.287 1.606 20 5 CDBDRO CC[NH2+]CCNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001577853589 1171755220 /nfs/dbraw/zinc/75/52/20/1171755220.db2.gz PZKNOLYGSFADDD-UHFFFAOYSA-N 1 0 278.287 1.725 20 5 CDBDRO C[C@H](NC(=O)[C@H](F)[C@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001579480292 1172194394 /nfs/dbraw/zinc/19/43/94/1172194394.db2.gz HLKSCCISTVBDMR-OUJBWJOFSA-N 1 0 295.314 1.720 20 5 CDBDRO C[C@H](NC(=O)[C@@]12C[C@@H]1C[C@@H]([NH3+])C2)c1ccc([N+](=O)[O-])cc1 ZINC001579482764 1172194812 /nfs/dbraw/zinc/19/48/12/1172194812.db2.gz SYFCPIOOHYTIBY-APAOZMKASA-N 1 0 289.335 1.899 20 5 CDBDRO Cc1cc(NC(=O)N[C@@H]2C[NH2+]CC23CC3)ccc1[N+](=O)[O-] ZINC001579631280 1172229850 /nfs/dbraw/zinc/22/98/50/1172229850.db2.gz LWNKNVRKBZERAE-GFCCVEGCSA-N 1 0 290.323 1.777 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@](C)(C[NH3+])C2CC2)n1 ZINC001579642848 1172232179 /nfs/dbraw/zinc/23/21/79/1172232179.db2.gz YTIJNANTMHLLGK-CYBMUJFWSA-N 1 0 278.312 1.155 20 5 CDBDRO Cc1ccc(CNC(=O)NC[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC001579696578 1172242891 /nfs/dbraw/zinc/24/28/91/1172242891.db2.gz WAWXUIVGLRTNKY-VIFPVBQESA-N 1 0 280.328 1.297 20 5 CDBDRO [NH3+]C1CCC2(CC1)CN(c1ccc([N+](=O)[O-])nc1)CCO2 ZINC001580173237 1172369581 /nfs/dbraw/zinc/36/95/81/1172369581.db2.gz HINIKSBGVSKVSG-UHFFFAOYSA-N 1 0 292.339 1.467 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC001580449928 1172439965 /nfs/dbraw/zinc/43/99/65/1172439965.db2.gz XWBKELYYSLUYDW-SNVBAGLBSA-N 1 0 292.339 1.521 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1nc(Cl)ncc1[N+](=O)[O-] ZINC000235452173 1178237982 /nfs/dbraw/zinc/23/79/82/1178237982.db2.gz ATPGTRSDKNTWAB-ZCFIWIBFSA-N 1 0 259.697 1.400 20 5 CDBDRO COc1cnc(N2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001165038031 721890110 /nfs/dbraw/zinc/89/01/10/721890110.db2.gz FURXKPHSQVQZET-SNVBAGLBSA-N 1 0 280.328 1.529 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)Nc1nccnc1C[NH3+] ZINC001173219528 912300313 /nfs/dbraw/zinc/30/03/13/912300313.db2.gz NQQLZHYFXJELAW-JTQLQIEISA-N 1 0 287.323 1.887 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@](C)(O)C1 ZINC001173221182 912304454 /nfs/dbraw/zinc/30/44/54/912304454.db2.gz GDTGCFAUWCUNCL-RISCZKNCSA-N 1 0 264.325 1.983 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC[C@](C)(O)C1 ZINC001173221425 912306514 /nfs/dbraw/zinc/30/65/14/912306514.db2.gz IHOZSAHFMDOSII-SWLSCSKDSA-N 1 0 294.351 1.609 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)C1CC1 ZINC001173220518 912306564 /nfs/dbraw/zinc/30/65/64/912306564.db2.gz FQSUTWKADRWMSG-YGRLFVJLSA-N 1 0 264.325 1.886 20 5 CDBDRO CNC(=O)CC[N@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173225772 912316867 /nfs/dbraw/zinc/31/68/67/912316867.db2.gz GCQCVWARJAJWDF-NSHDSACASA-N 1 0 279.340 1.594 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2C[C@H]1CN2C ZINC001173230238 912328928 /nfs/dbraw/zinc/32/89/28/912328928.db2.gz DFOPBJMORBZJQC-UGFHNGPFSA-N 1 0 275.352 1.914 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN(C)C ZINC001173213595 912335645 /nfs/dbraw/zinc/33/56/45/912335645.db2.gz GKUZNHFHCSJMLH-LLVKDONJSA-N 1 0 251.330 1.677 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1ccc2cnccc2c1[N+](=O)[O-] ZINC001167692144 898248620 /nfs/dbraw/zinc/24/86/20/898248620.db2.gz LOKDUXOEUONBKV-UHFFFAOYSA-N 1 0 295.302 1.872 20 5 CDBDRO COc1ccnc(-n2nc(C[NH3+])c3ccccc32)c1[N+](=O)[O-] ZINC001167695050 898472997 /nfs/dbraw/zinc/47/29/97/898472997.db2.gz BUFOAYFNQZGZFX-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO N=C(Nc1cccc2ncc([N+](=O)[O-])n21)SCC[NH3+] ZINC001167915660 902246849 /nfs/dbraw/zinc/24/68/49/902246849.db2.gz JODSWJJDRRVLRM-UHFFFAOYSA-N 1 0 280.313 1.281 20 5 CDBDRO C[C@@H](C[NH+](C)C)Oc1ccnc(Cl)c1[N+](=O)[O-] ZINC000710629483 903347618 /nfs/dbraw/zinc/34/76/18/903347618.db2.gz CWSVWMFZKNSHSQ-ZETCQYMHSA-N 1 0 259.693 1.972 20 5 CDBDRO COc1cc(O[C@@H]2CC[N@@H+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC001226582062 905357131 /nfs/dbraw/zinc/35/71/31/905357131.db2.gz VJFXCCCEQYIZAM-SNVBAGLBSA-N 1 0 281.312 1.860 20 5 CDBDRO COc1cc(F)cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001226884757 905780572 /nfs/dbraw/zinc/78/05/72/905780572.db2.gz WJWHDKSOWZZMDG-LLVKDONJSA-N 1 0 286.323 1.197 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1C[C@H](O)C1)CC2 ZINC001172900864 912039786 /nfs/dbraw/zinc/03/97/86/912039786.db2.gz GYGQGQKFLGJMPB-UMVBOHGHSA-N 1 0 276.336 1.955 20 5 CDBDRO O=C(CCC1CC1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001125020359 917877701 /nfs/dbraw/zinc/87/77/01/917877701.db2.gz WUIJLLLLYZEQLT-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO COC(=O)N(C)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000689526338 936762085 /nfs/dbraw/zinc/76/20/85/936762085.db2.gz NLZOITDZPJZPEB-SNVBAGLBSA-N 1 0 281.312 1.944 20 5 CDBDRO CC(C)C[NH2+]CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001118204061 923921312 /nfs/dbraw/zinc/92/13/12/923921312.db2.gz YZKSULRXPOAOBO-UHFFFAOYSA-N 1 0 291.311 1.655 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1nc(Cl)nc2n[nH]cc21 ZINC001231047433 925617426 /nfs/dbraw/zinc/61/74/26/925617426.db2.gz SQWXHKMZKIZDHC-SSDOTTSWSA-N 1 0 270.744 1.480 20 5 CDBDRO C[NH+](C)CC(C)(C)CNc1cc([N+](=O)[O-])c2nncn2c1 ZINC001168768460 925784052 /nfs/dbraw/zinc/78/40/52/925784052.db2.gz FIHBELQDINZPLC-UHFFFAOYSA-N 1 0 292.343 1.637 20 5 CDBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])n[nH]1)[NH+]1[C@H](C)CC[C@H]1C ZINC001155037619 926438919 /nfs/dbraw/zinc/43/89/19/926438919.db2.gz GEMJISHNYPBCHM-IWSPIJDZSA-N 1 0 281.316 1.518 20 5 CDBDRO C[NH2+]CCC(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000843495809 937156272 /nfs/dbraw/zinc/15/62/72/937156272.db2.gz WBOALYIASYKLGL-UHFFFAOYSA-N 1 0 263.297 1.402 20 5 CDBDRO CCOC(=O)C1(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1 ZINC001168976732 927562468 /nfs/dbraw/zinc/56/24/68/927562468.db2.gz FWUFTOWBRAUFDO-RYUDHWBXSA-N 1 0 284.356 1.755 20 5 CDBDRO O=C(CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)NC1CCCCC1 ZINC001168978372 927566133 /nfs/dbraw/zinc/56/61/33/927566133.db2.gz RJOSZXZVSOFLDE-TZMCWYRMSA-N 1 0 297.399 1.860 20 5 CDBDRO CC1(C)OC[C@@H](C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)O1 ZINC001168983348 927570991 /nfs/dbraw/zinc/57/09/91/927570991.db2.gz JQARXHPLEDAOKD-GMTAPVOTSA-N 1 0 258.318 1.173 20 5 CDBDRO O=C(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)Cc1ccccc1 ZINC001168985892 927576828 /nfs/dbraw/zinc/57/68/28/927576828.db2.gz VJKWQUOTLINKBU-UONOGXRCSA-N 1 0 276.336 1.833 20 5 CDBDRO COc1cc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)ccn1 ZINC001168956911 927577783 /nfs/dbraw/zinc/57/77/83/927577783.db2.gz CPOOCOGLFPEURL-RYUDHWBXSA-N 1 0 265.313 1.625 20 5 CDBDRO CC(C)(CO)CCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168965976 927588792 /nfs/dbraw/zinc/58/87/92/927588792.db2.gz FICXYUYEIFOOGT-VXGBXAGGSA-N 1 0 258.362 1.820 20 5 CDBDRO COCCn1cnc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168995716 927603153 /nfs/dbraw/zinc/60/31/53/927603153.db2.gz SSJMMSODONFQQV-NWDGAFQWSA-N 1 0 282.344 1.065 20 5 CDBDRO O=C(NCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccs1 ZINC001169001417 927605041 /nfs/dbraw/zinc/60/50/41/927605041.db2.gz FUXIAONUOVFZQV-GHMZBOCLSA-N 1 0 297.380 1.513 20 5 CDBDRO [NH3+]Cc1nc2cnccc2n1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169000934 927605088 /nfs/dbraw/zinc/60/50/88/927605088.db2.gz ZPXFUELWZSALRN-VHSXEESVSA-N 1 0 275.312 1.508 20 5 CDBDRO COC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169001966 927605431 /nfs/dbraw/zinc/60/54/31/927605431.db2.gz IQLJPHTUWLUEAJ-RNJOBUHISA-N 1 0 284.356 1.753 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@]23CCCOC3)C1 ZINC001169001432 927605636 /nfs/dbraw/zinc/60/56/36/927605636.db2.gz FXJXENRQYMVCSP-YVECIDJPSA-N 1 0 254.330 1.591 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3OCCC[C@H]3C2)C1 ZINC001169007140 927610853 /nfs/dbraw/zinc/61/08/53/927610853.db2.gz LKHSZSHRFHZMNS-ZOBORPQBSA-N 1 0 268.357 1.933 20 5 CDBDRO COC(=O)C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169011571 927617312 /nfs/dbraw/zinc/61/73/12/927617312.db2.gz LBIYHRIMPCTXKB-CMPLNLGQSA-N 1 0 270.329 1.317 20 5 CDBDRO C[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H]1CO ZINC001169011407 927617642 /nfs/dbraw/zinc/61/76/42/927617642.db2.gz KEHIELMOPGUKND-LPWJVIDDSA-N 1 0 256.346 1.525 20 5 CDBDRO O=C1N[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc21 ZINC001168987022 927622559 /nfs/dbraw/zinc/62/25/59/927622559.db2.gz HDUVQZWKKWPFLF-NRUUGDAUSA-N 1 0 275.308 1.464 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCN2CCC(F)(F)CC2)C1 ZINC001168988931 927626467 /nfs/dbraw/zinc/62/64/67/927626467.db2.gz VCOZLLCEYRFXPD-NWDGAFQWSA-N 1 0 291.342 1.753 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCc3ncccc3C2)C1 ZINC001169034532 927642292 /nfs/dbraw/zinc/64/22/92/927642292.db2.gz HKBXNNWRIFSLDO-YPMHNXCESA-N 1 0 261.325 1.885 20 5 CDBDRO CC(C)[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCO1 ZINC001169036994 927648064 /nfs/dbraw/zinc/64/80/64/927648064.db2.gz HUOAMXGRFNODOW-XQQFMLRXSA-N 1 0 256.346 1.789 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(c3cncnc3)CC2)C1 ZINC001169039829 927654239 /nfs/dbraw/zinc/65/42/39/927654239.db2.gz UKGUHUGGWIPFDY-STQMWFEESA-N 1 0 291.355 1.044 20 5 CDBDRO CNCC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001169042863 927657514 /nfs/dbraw/zinc/65/75/14/927657514.db2.gz GOZVYYCVZHRIHM-NEPJUHHUSA-N 1 0 257.378 1.752 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H](N2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C1 ZINC001169057499 927674292 /nfs/dbraw/zinc/67/42/92/927674292.db2.gz WATRSLXHYZEEAL-ZQDZILKHSA-N 1 0 299.390 1.940 20 5 CDBDRO CCN1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]1C ZINC001169057491 927675242 /nfs/dbraw/zinc/67/52/42/927675242.db2.gz VZTRSEFLKMPLAR-UPJWGTAASA-N 1 0 255.362 1.458 20 5 CDBDRO [NH3+]Cc1cnnn1-c1ccc2cnccc2c1[N+](=O)[O-] ZINC001169309840 927945776 /nfs/dbraw/zinc/94/57/76/927945776.db2.gz LJQYTBOOQOXCHZ-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO C[NH+](C)C1(C)CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC001150286486 937226476 /nfs/dbraw/zinc/22/64/76/937226476.db2.gz LUKQUFSFEXYACU-UHFFFAOYSA-N 1 0 280.328 1.479 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2ccc(C[NH3+])c2)c1 ZINC001169726648 928348575 /nfs/dbraw/zinc/34/85/75/928348575.db2.gz XINZYSINIXZMPU-UHFFFAOYSA-N 1 0 275.264 1.631 20 5 CDBDRO [NH3+]CCc1nccn1-c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001156477699 928641194 /nfs/dbraw/zinc/64/11/94/928641194.db2.gz GWDRFKOBKFTNGV-UHFFFAOYSA-N 1 0 284.279 1.225 20 5 CDBDRO O=[N+]([O-])c1cc(NC[C@@H]2COCC[NH2+]2)cc2cccnc21 ZINC001170044032 929132856 /nfs/dbraw/zinc/13/28/56/929132856.db2.gz JOEDPAWVIPMXDP-GFCCVEGCSA-N 1 0 288.307 1.543 20 5 CDBDRO O=[N+]([O-])c1c(N[C@@H]2C[NH2+]C[C@@H]2CO)ccc2ncccc21 ZINC001170779987 929962577 /nfs/dbraw/zinc/96/25/77/929962577.db2.gz FDCWQSISJNCXBQ-NOZJJQNGSA-N 1 0 288.307 1.135 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001170860714 930487651 /nfs/dbraw/zinc/48/76/51/930487651.db2.gz WHTZUOIIZOKHAZ-LBPRGKRZSA-N 1 0 295.274 1.146 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C/C=C/C2CC2)c1 ZINC001118089889 937589119 /nfs/dbraw/zinc/58/91/19/937589119.db2.gz BLXPNCCWDNBWOP-HSWBROFVSA-N 1 0 292.335 1.890 20 5 CDBDRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001120605057 937816423 /nfs/dbraw/zinc/81/64/23/937816423.db2.gz WUPOUEZSENSQHA-WCFLWFBJSA-N 1 0 296.371 1.567 20 5 CDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc(N)c([N+](=O)[O-])cn1 ZINC001120932227 937848698 /nfs/dbraw/zinc/84/86/98/937848698.db2.gz POIHEMXYMNSROG-WDEREUQCSA-N 1 0 291.355 1.635 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](CC[NH3+])C2)c1 ZINC001122210513 937913297 /nfs/dbraw/zinc/91/32/97/937913297.db2.gz BPGHHPPSEWOMIK-SNVBAGLBSA-N 1 0 293.323 1.414 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001122479194 937935452 /nfs/dbraw/zinc/93/54/52/937935452.db2.gz QPOVRTMCJZDSSD-ITGUQSILSA-N 1 0 275.308 1.193 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001156850289 938425846 /nfs/dbraw/zinc/42/58/46/938425846.db2.gz WIKZRNAMWPCPLE-UHFFFAOYSA-N 1 0 296.290 1.267 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001156850078 938425984 /nfs/dbraw/zinc/42/59/84/938425984.db2.gz PZHUYFQIJOFKRS-UHFFFAOYSA-N 1 0 296.290 1.267 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001157270875 938473564 /nfs/dbraw/zinc/47/35/64/938473564.db2.gz GMGTXMJVSDVRJC-AAEUAGOBSA-N 1 0 292.339 1.067 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2ccc(-n3ccc4c3CC[NH2+]C4)nc21 ZINC001157449007 938493563 /nfs/dbraw/zinc/49/35/63/938493563.db2.gz CVLSUSVPJREDRQ-UHFFFAOYSA-N 1 0 283.291 1.908 20 5 CDBDRO Nc1nc(-n2cnc3ccc(C[NH3+])cc32)ccc1[N+](=O)[O-] ZINC001158009048 938575253 /nfs/dbraw/zinc/57/52/53/938575253.db2.gz OGPLWPYMLYDDTJ-UHFFFAOYSA-N 1 0 284.279 1.370 20 5 CDBDRO CCN(c1nc(Cl)nc(C)c1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC001158200973 938594275 /nfs/dbraw/zinc/59/42/75/938594275.db2.gz RYOJCTQRZNUKCN-SECBINFHSA-N 1 0 299.762 1.925 20 5 CDBDRO C[NH+](C)CCC(C)(C)Nc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001158754476 938659850 /nfs/dbraw/zinc/65/98/50/938659850.db2.gz XDZSSMXTWVWOSG-UHFFFAOYSA-N 1 0 268.317 1.370 20 5 CDBDRO Cc1c(CC[NH3+])c(=O)[nH]n1-c1nccc(Cl)c1[N+](=O)[O-] ZINC001159292100 938717987 /nfs/dbraw/zinc/71/79/87/938717987.db2.gz CPMJAOZZHGKMPN-UHFFFAOYSA-N 1 0 297.702 1.344 20 5 CDBDRO C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001159488339 938731714 /nfs/dbraw/zinc/73/17/14/938731714.db2.gz CIUMYIWSUTWJNP-GMSGAONNSA-N 1 0 286.719 1.432 20 5 CDBDRO COc1nc(Nc2ccc(C[NH3+])nc2)ccc1[N+](=O)[O-] ZINC001160396181 938783910 /nfs/dbraw/zinc/78/39/10/938783910.db2.gz DLIBARFRDPRCRZ-UHFFFAOYSA-N 1 0 275.268 1.596 20 5 CDBDRO N=c1ncc(C[NH3+])cn1-c1ncc([N+](=O)[O-])c2ccccc21 ZINC001161414532 938901692 /nfs/dbraw/zinc/90/16/92/938901692.db2.gz AEHLNZVWCYPQLW-UHFFFAOYSA-N 1 0 296.290 1.267 20 5 CDBDRO N=c1ncc(C[NH3+])cn1-c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001161416430 938901700 /nfs/dbraw/zinc/90/17/00/938901700.db2.gz WZEWTZHXPXOXEM-UHFFFAOYSA-N 1 0 296.290 1.267 20 5 CDBDRO C[NH+](C)CCNc1ccc2nsnc2c1[N+](=O)[O-] ZINC001161671515 938918867 /nfs/dbraw/zinc/91/88/67/938918867.db2.gz UFARROLTHNSWLP-UHFFFAOYSA-N 1 0 267.314 1.573 20 5 CDBDRO Cc1c[n+]([O-])c(N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001162391793 939042310 /nfs/dbraw/zinc/04/23/10/939042310.db2.gz ODBRJTDXNHXIGZ-VHSXEESVSA-N 1 0 266.301 1.218 20 5 CDBDRO COc1c(F)cc(-n2nccc2C[NH3+])cc1[N+](=O)[O-] ZINC001162593324 939097127 /nfs/dbraw/zinc/09/71/27/939097127.db2.gz HQKSFDONKRGVKC-UHFFFAOYSA-N 1 0 266.232 1.387 20 5 CDBDRO [NH3+]C1(CNc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CCC1 ZINC001163327245 939248356 /nfs/dbraw/zinc/24/83/56/939248356.db2.gz UQUWIYBNCKTMSC-UHFFFAOYSA-N 1 0 272.692 1.175 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1cc([N+](=O)[O-])cc(C)c1F ZINC001163985822 939372472 /nfs/dbraw/zinc/37/24/72/939372472.db2.gz DMEGKDNMRRRDPY-UHFFFAOYSA-N 1 0 264.260 1.995 20 5 CDBDRO CN1CCC(CNc2ccc([N+](=O)[O-])cn2)([NH+](C)C)CC1 ZINC001164206740 939430041 /nfs/dbraw/zinc/43/00/41/939430041.db2.gz AQSUYKRNCSRSFN-UHFFFAOYSA-N 1 0 293.371 1.428 20 5 CDBDRO C[C@@]1(C[NH3+])CCCN(c2ccc([N+](=O)[O-])c(N)n2)CC1 ZINC001164247255 939441113 /nfs/dbraw/zinc/44/11/13/939441113.db2.gz HUIAMHBLUZRJJO-CYBMUJFWSA-N 1 0 279.344 1.527 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(-n2cnc3c2C[NH2+]CC3)n1 ZINC001164313853 939452407 /nfs/dbraw/zinc/45/24/07/939452407.db2.gz UULLVLOYMRSVMY-UHFFFAOYSA-N 1 0 273.296 1.438 20 5 CDBDRO Cc1c(C)c(-n2cnc3c2C[NH2+]CC3)ncc1[N+](=O)[O-] ZINC001164314053 939452682 /nfs/dbraw/zinc/45/26/82/939452682.db2.gz ZNECAZYOIIQYTM-UHFFFAOYSA-N 1 0 273.296 1.438 20 5 CDBDRO C[NH+](C)C[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001165071381 939506817 /nfs/dbraw/zinc/50/68/17/939506817.db2.gz FMFPKOMVALGDFM-VIFPVBQESA-N 1 0 295.299 1.428 20 5 CDBDRO O=[N+]([O-])c1cccc2nc(-n3ncc4c3CC[NH2+]C4)ccc21 ZINC001165218334 939525819 /nfs/dbraw/zinc/52/58/19/939525819.db2.gz BLBGZUKCLSIJNV-UHFFFAOYSA-N 1 0 295.302 1.974 20 5 CDBDRO [NH3+]CC1(F)CCN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1 ZINC001165262766 939536346 /nfs/dbraw/zinc/53/63/46/939536346.db2.gz HOSDQNCLWSYGDA-UHFFFAOYSA-N 1 0 293.302 1.738 20 5 CDBDRO Cc1cnc(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001165287330 939540854 /nfs/dbraw/zinc/54/08/54/939540854.db2.gz UCYXKLLRRJCEMA-DGCLKSJQSA-N 1 0 292.339 1.113 20 5 CDBDRO [NH3+][C@]12C[C@H]1CN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)C2 ZINC001165315886 939544846 /nfs/dbraw/zinc/54/48/46/939544846.db2.gz JIYXNQPTCNHSPW-BONVTDFDSA-N 1 0 297.318 1.589 20 5 CDBDRO Cc1cc(Cl)nc(N2C[C@@H]([NH3+])[C@@H](F)C2)c1[N+](=O)[O-] ZINC001166928631 939651132 /nfs/dbraw/zinc/65/11/32/939651132.db2.gz IHOJMFWYUBRJSD-NKWVEPMBSA-N 1 0 274.683 1.437 20 5 CDBDRO Cc1nc(Cl)nc(N(C)C[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC001166955186 939658942 /nfs/dbraw/zinc/65/89/42/939658942.db2.gz RUXDLWNXWHCXKF-MRVPVSSYSA-N 1 0 285.735 1.392 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OC[C@H]1COc2ccccc2O1 ZINC001206348102 940023818 /nfs/dbraw/zinc/02/38/18/940023818.db2.gz WSUGIGCFOZLHLA-OLZOCXBDSA-N 1 0 266.361 1.938 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])Nc1ncc(F)cc1[N+](=O)[O-] ZINC000401265771 940866282 /nfs/dbraw/zinc/86/62/82/940866282.db2.gz MRWMFWHZYXTMJC-VIFPVBQESA-N 1 0 256.281 1.914 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@](C)([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000405777825 940996272 /nfs/dbraw/zinc/99/62/72/940996272.db2.gz BZYIAQPOUCTJCW-CYBMUJFWSA-N 1 0 263.297 1.467 20 5 CDBDRO O=[N+]([O-])c1ccnc(Cl)c1O[C@H]1CCC[NH2+]C1 ZINC001218278510 941050830 /nfs/dbraw/zinc/05/08/30/941050830.db2.gz OJGQYBLDFUREAK-ZETCQYMHSA-N 1 0 257.677 1.774 20 5 CDBDRO O=[N+]([O-])c1ncc(Cl)cc1O[C@@H]1CCC[NH2+]C1 ZINC001218285060 941051496 /nfs/dbraw/zinc/05/14/96/941051496.db2.gz BVICBYHVYCCTGH-MRVPVSSYSA-N 1 0 257.677 1.774 20 5 CDBDRO C[NH2+]CCNC(=O)c1cccc2nc3ccccc3nc21 ZINC001220060235 941410296 /nfs/dbraw/zinc/41/02/96/941410296.db2.gz PXQRHKNHSAYXME-UHFFFAOYSA-N 1 0 280.331 1.732 20 5 CDBDRO Cc1ccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)c(C)c1 ZINC001222851052 941637846 /nfs/dbraw/zinc/63/78/46/941637846.db2.gz OXAFSFPVVFEORI-OAHLLOKOSA-N 1 0 280.388 1.804 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCc1nc(-c2cccnc2)no1 ZINC001224231975 941731610 /nfs/dbraw/zinc/73/16/10/941731610.db2.gz DRQVKKWMIXDBRJ-LLVKDONJSA-N 1 0 277.348 1.743 20 5 CDBDRO CC(=O)N1CCC(CO[C@@H](C)C[N+](C)(C)C)CC1 ZINC001224283890 941738066 /nfs/dbraw/zinc/73/80/66/941738066.db2.gz IXGCKJDDLCEGOP-LBPRGKRZSA-N 1 0 257.398 1.356 20 5 CDBDRO O=[N+]([O-])C[C@@H](OCCC[NH+]1CCCCC1)C1CC1 ZINC001224859113 941799015 /nfs/dbraw/zinc/79/90/15/941799015.db2.gz HACRGFYILDQCRJ-CYBMUJFWSA-N 1 0 256.346 1.934 20 5 CDBDRO COc1cc(F)ccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225344161 941847359 /nfs/dbraw/zinc/84/73/59/941847359.db2.gz JQXJFEWKHCQJEF-LLVKDONJSA-N 1 0 286.323 1.197 20 5 CDBDRO COCc1cc(O[C@H](C)C[N+](C)(C)C)nc(=S)[nH]1 ZINC001225938540 941931819 /nfs/dbraw/zinc/93/18/19/941931819.db2.gz OPMZTXDNBYCKHV-SECBINFHSA-O 1 0 272.394 1.385 20 5 CDBDRO COc1c[nH]c(=S)nc1O[C@@H](C)C[N+](C)(C)C ZINC001226247585 941974595 /nfs/dbraw/zinc/97/45/95/941974595.db2.gz XRDCJQWVOMHHBJ-QMMMGPOBSA-O 1 0 258.367 1.247 20 5 CDBDRO C[N@@H+]1CCC[C@@H](Oc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001226757882 942063673 /nfs/dbraw/zinc/06/36/73/942063673.db2.gz YKACLSNEPVMGGB-SNVBAGLBSA-N 1 0 269.276 1.992 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001227043606 942120639 /nfs/dbraw/zinc/12/06/39/942120639.db2.gz GPRCMFBWYISFOO-SNVBAGLBSA-N 1 0 297.331 1.855 20 5 CDBDRO COc1cccc(C)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227164981 942143984 /nfs/dbraw/zinc/14/39/84/942143984.db2.gz OLJIGYOMCNQFKV-GFCCVEGCSA-N 1 0 282.360 1.366 20 5 CDBDRO CC(=O)Nc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001227503872 942181192 /nfs/dbraw/zinc/18/11/92/942181192.db2.gz MHBOICBMOIIQDD-CYBMUJFWSA-O 1 0 295.359 1.008 20 5 CDBDRO Cc1cc(C)c(C)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001227509457 942182002 /nfs/dbraw/zinc/18/20/02/942182002.db2.gz KHBIYVQQLHMYDW-CQSZACIVSA-N 1 0 280.388 1.974 20 5 CDBDRO COC(=O)c1cccc(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001227829650 942233992 /nfs/dbraw/zinc/23/39/92/942233992.db2.gz CWUMHGFQYRCMMD-JTQLQIEISA-N 1 0 253.322 1.342 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1n[nH]c(=O)c2ccccc21 ZINC001228272882 942287437 /nfs/dbraw/zinc/28/74/37/942287437.db2.gz FQKIDHWUVRXLCO-JTQLQIEISA-O 1 0 262.333 1.809 20 5 CDBDRO C[N@@H+]1CC[C@H](Oc2cc(F)cc(F)c2[N+](=O)[O-])C1 ZINC001228609534 942342313 /nfs/dbraw/zinc/34/23/13/942342313.db2.gz DRBRCDNYQIMROZ-QMMMGPOBSA-N 1 0 258.224 1.956 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1nc(Cl)nc2c1cnn2C ZINC001228777023 942374855 /nfs/dbraw/zinc/37/48/55/942374855.db2.gz WDUYLRWVEUGIHN-QMMMGPOBSA-N 1 0 284.771 1.490 20 5 CDBDRO COC(=O)c1cnc(O[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001233859459 943674234 /nfs/dbraw/zinc/67/42/34/943674234.db2.gz MNLBZBDYIZHLOT-SNVBAGLBSA-N 1 0 295.295 1.249 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NCCC1CC[NH+](C)CC1 ZINC001262357212 946604285 /nfs/dbraw/zinc/60/42/85/946604285.db2.gz CSVYTORPFBNWRX-UHFFFAOYSA-N 1 0 267.333 1.472 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C=CS(=O)(=O)C1 ZINC001254535143 947515316 /nfs/dbraw/zinc/51/53/16/947515316.db2.gz HNPLKYHLGBATJA-PWSUYJOCSA-N 1 0 296.348 1.426 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1[C@@H]2COC[C@@H]21 ZINC001254540149 947517522 /nfs/dbraw/zinc/51/75/22/947517522.db2.gz PEPFTANOWSCRSQ-PQFRYHKHSA-N 1 0 262.309 1.760 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001254550400 947520034 /nfs/dbraw/zinc/52/00/34/947520034.db2.gz JALCWKFRAFAJDN-AAEUAGOBSA-N 1 0 291.351 1.723 20 5 CDBDRO O=c1cc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc[nH]1 ZINC001254573524 947532707 /nfs/dbraw/zinc/53/27/07/947532707.db2.gz BJCKHAOEQADKAX-CYBMUJFWSA-N 1 0 285.303 1.952 20 5 CDBDRO [NH3+][C@@H]1CCCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254580548 947536956 /nfs/dbraw/zinc/53/69/56/947536956.db2.gz DURFGJNGKFJVPK-TZMCWYRMSA-N 1 0 261.325 1.485 20 5 CDBDRO CCOC(=O)C[C@@H](C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254584157 947539740 /nfs/dbraw/zinc/53/97/40/947539740.db2.gz QPYYFFQRYYTZHF-MFKMUULPSA-N 1 0 292.335 1.993 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@H](O)c1ccncc1)C2 ZINC001254589857 947543530 /nfs/dbraw/zinc/54/35/30/947543530.db2.gz SKAGVJVURHYLNE-HOCLYGCPSA-N 1 0 299.330 1.780 20 5 CDBDRO CN(C)C(=O)CC[N@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602858 947552944 /nfs/dbraw/zinc/55/29/44/947552944.db2.gz JIBWMVIAHOSHBZ-CQSZACIVSA-N 1 0 291.351 1.472 20 5 CDBDRO C[NH+]1CC2(CN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1 ZINC001254610183 947555018 /nfs/dbraw/zinc/55/50/18/947555018.db2.gz ICFRCACKPFQNAB-AWEZNQCLSA-N 1 0 273.336 1.309 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246870198 948495422 /nfs/dbraw/zinc/49/54/22/948495422.db2.gz NWUNPXMJTWQGBJ-MPKXVKKWSA-N 1 0 261.325 1.559 20 5 CDBDRO CCC1([NH+](C)C)CCN(c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001307181063 954582394 /nfs/dbraw/zinc/58/23/94/954582394.db2.gz OXNLMHPXHKNSSS-UHFFFAOYSA-N 1 0 281.360 1.639 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2C[NH+]3CCC2CC3)s1 ZINC001307230714 956383909 /nfs/dbraw/zinc/38/39/09/956383909.db2.gz VXIKNFIHKMPWFI-SECBINFHSA-N 1 0 268.342 1.805 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001331701080 957214587 /nfs/dbraw/zinc/21/45/87/957214587.db2.gz GHRODSAUQOICCH-AAEUAGOBSA-N 1 0 277.324 1.991 20 5 CDBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC001318415419 958089688 /nfs/dbraw/zinc/08/96/88/958089688.db2.gz VEHUOGYBPVHMQL-NXEZZACHSA-N 1 0 281.312 1.790 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC([NH+](C)C)C2)c1C ZINC001333748672 958566382 /nfs/dbraw/zinc/56/63/82/958566382.db2.gz NGJLORCGIAPHNY-UHFFFAOYSA-N 1 0 277.324 1.598 20 5 CDBDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CO1 ZINC001335439087 959802218 /nfs/dbraw/zinc/80/22/18/959802218.db2.gz AKMJARNEEHGLKI-CDMKHQONSA-N 1 0 266.297 1.395 20 5 CDBDRO CO[C@@H](C)[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001336020670 960160694 /nfs/dbraw/zinc/16/06/94/960160694.db2.gz VITXOMJWAKSYOQ-GMXVVIOVSA-N 1 0 298.339 1.348 20 5 CDBDRO C[C@](O)(C[NH2+]CC[N+](=O)[O-])c1ccc(F)cc1F ZINC001338485290 961828427 /nfs/dbraw/zinc/82/84/27/961828427.db2.gz ZMEWLYBKIBOYQL-NSHDSACASA-N 1 0 260.240 1.039 20 5 CDBDRO C[C@@H](C[C@H](C)[NH2+]CC[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC001338534274 961861231 /nfs/dbraw/zinc/86/12/31/961861231.db2.gz DYPXMVVOLLMPNA-UWVGGRQHSA-N 1 0 275.349 1.545 20 5 CDBDRO NC(=O)COC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001340047746 962711248 /nfs/dbraw/zinc/71/12/48/962711248.db2.gz HYSANWRLGOHLAR-UHFFFAOYSA-N 1 0 293.323 1.061 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001340991932 963226277 /nfs/dbraw/zinc/22/62/77/963226277.db2.gz QFWVZONZKHSNEM-WQAKAFBOSA-N 1 0 277.324 1.899 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NCC(C)(C)C[NH+](C)C ZINC001341456084 963423857 /nfs/dbraw/zinc/42/38/57/963423857.db2.gz MLVKCBXMAQPDBF-UHFFFAOYSA-N 1 0 266.345 1.720 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341878304 963570116 /nfs/dbraw/zinc/57/01/16/963570116.db2.gz MYSDKMBCXQFOCR-CHWSQXEVSA-N 1 0 291.351 1.942 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC001342772831 963822346 /nfs/dbraw/zinc/82/23/46/963822346.db2.gz SQURUOWQXWNCJI-WCQYABFASA-N 1 0 289.335 1.585 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2C=CCC2)c1 ZINC001353300258 967873127 /nfs/dbraw/zinc/87/31/27/967873127.db2.gz LSSZOYAJPIFHFE-DGCLKSJQSA-N 1 0 278.308 1.643 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CC23CCOCC3)c1 ZINC001353340005 967910973 /nfs/dbraw/zinc/91/09/73/967910973.db2.gz LTQDCEDBXJEZNQ-ZIAGYGMSSA-N 1 0 292.335 1.787 20 5 CDBDRO Cc1cccc(N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC001354267241 968586517 /nfs/dbraw/zinc/58/65/17/968586517.db2.gz XZPVGTNAKCRKOO-GXTWGEPZSA-N 1 0 292.383 1.949 20 5 CDBDRO CCNC(=[NH2+])NCCOc1ccc([N+](=O)[O-])cc1 ZINC000849007417 969400726 /nfs/dbraw/zinc/40/07/26/969400726.db2.gz LYNCNEREAYTQQR-UHFFFAOYSA-N 1 0 252.274 1.107 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+]2CC[C@H]1C2 ZINC001520123798 970148384 /nfs/dbraw/zinc/14/83/84/970148384.db2.gz RUQUMEOFMZDBHJ-LBPRGKRZSA-N 1 0 290.323 1.825 20 5 CDBDRO [NH3+]C[C@H]1C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001523529624 970730488 /nfs/dbraw/zinc/73/04/88/970730488.db2.gz FRXCULCDMQWIKD-HAQNSBGRSA-N 1 0 277.324 1.381 20 5 CDBDRO C[C@@H](OC(=O)[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC001573589681 1170700697 /nfs/dbraw/zinc/70/06/97/1170700697.db2.gz IFDQMXGVJBPOAI-KOLCDFICSA-N 1 0 264.281 1.809 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001578637476 1171968168 /nfs/dbraw/zinc/96/81/68/1171968168.db2.gz HZECLPOSQFXYSU-ZETCQYMHSA-N 1 0 270.264 1.463 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000601184329 342489210 /nfs/dbraw/zinc/48/92/10/342489210.db2.gz JYTZSXRKSDXPAK-NEPJUHHUSA-N 1 0 261.325 1.983 20 5 CDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH2+]CC1 ZINC000269128109 190469785 /nfs/dbraw/zinc/46/97/85/190469785.db2.gz ZRXPXTSFAFHMFM-UHFFFAOYSA-N 1 0 292.339 1.143 20 5 CDBDRO Cc1c(CNC(=O)CC[NH2+]C(C)C)cccc1[N+](=O)[O-] ZINC000231857060 341994787 /nfs/dbraw/zinc/99/47/87/341994787.db2.gz CKLQECLBAAUTBY-UHFFFAOYSA-N 1 0 279.340 1.908 20 5 CDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000590402312 342543876 /nfs/dbraw/zinc/54/38/76/342543876.db2.gz CQJQVRRBKCMQOQ-CABZTGNLSA-N 1 0 293.323 1.465 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1COCC[C@H]1O ZINC000601307012 342551309 /nfs/dbraw/zinc/55/13/09/342551309.db2.gz VGEAUQIPMSWWKJ-ZWKOPEQDSA-N 1 0 296.323 1.404 20 5 CDBDRO C[NH+](C)C1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601390980 342559257 /nfs/dbraw/zinc/55/92/57/342559257.db2.gz LKLJZILNJUZYPL-UHFFFAOYSA-N 1 0 267.260 1.120 20 5 CDBDRO CCc1ccc(C(=O)N[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000127696114 187326577 /nfs/dbraw/zinc/32/65/77/187326577.db2.gz ODGLFAYJZIGTHR-NSHDSACASA-N 1 0 263.297 1.249 20 5 CDBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000070170194 361739207 /nfs/dbraw/zinc/73/92/07/361739207.db2.gz NDIODBXBKPUKCN-SECBINFHSA-N 1 0 283.353 1.857 20 5 CDBDRO CC[C@H]([NH3+])C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000236930604 361800358 /nfs/dbraw/zinc/80/03/58/361800358.db2.gz SIRGTEACZWDVPK-RYUDHWBXSA-N 1 0 265.313 1.899 20 5 CDBDRO CN(CCC[NH3+])c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000234296649 342042666 /nfs/dbraw/zinc/04/26/66/342042666.db2.gz WUYJFKNYWSUZNV-UHFFFAOYSA-N 1 0 278.234 1.794 20 5 CDBDRO [NH3+]C1CCC(NC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000591348364 342626909 /nfs/dbraw/zinc/62/69/09/342626909.db2.gz YAXHUTIOPZFMLW-UHFFFAOYSA-N 1 0 292.339 1.664 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000591437745 342631893 /nfs/dbraw/zinc/63/18/93/342631893.db2.gz JXHRDKCZMOMDII-CMPLNLGQSA-N 1 0 277.324 1.792 20 5 CDBDRO CCc1nn(C)c(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1[N+](=O)[O-] ZINC000591437721 342631936 /nfs/dbraw/zinc/63/19/36/342631936.db2.gz JLIUWBYDCAQNOW-GXSJLCMTSA-N 1 0 279.344 1.079 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4CC[NH2+][C@H]4C3)c21 ZINC000591437327 342631948 /nfs/dbraw/zinc/63/19/48/342631948.db2.gz GKLUXBHUGSVPTL-JQWIXIFHSA-N 1 0 299.334 1.726 20 5 CDBDRO O=[N+]([O-])c1cccc(OCCN2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000591447843 342632878 /nfs/dbraw/zinc/63/28/78/342632878.db2.gz AMBHMJLLKUCYQE-WFASDCNBSA-N 1 0 291.351 1.657 20 5 CDBDRO CNC(=O)c1ccc(N2C[C@H](C)[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000127938369 290628714 /nfs/dbraw/zinc/62/87/14/290628714.db2.gz BRPPOEVCVUGLNT-VHSXEESVSA-N 1 0 292.339 1.141 20 5 CDBDRO CCC(CC)(C[NH3+])NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000591680975 342641783 /nfs/dbraw/zinc/64/17/83/342641783.db2.gz TXYWXKIBTMINFW-UHFFFAOYSA-N 1 0 295.339 1.851 20 5 CDBDRO [NH3+]C1(CC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000592010573 342661667 /nfs/dbraw/zinc/66/16/67/342661667.db2.gz VVZDXMVMINAWII-UHFFFAOYSA-N 1 0 292.339 1.394 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(OC[C@@H]2CC[NH2+]C2)n1 ZINC000592165099 342670993 /nfs/dbraw/zinc/67/09/93/342670993.db2.gz POKLHXXPQFRCIU-SNVBAGLBSA-N 1 0 251.286 1.595 20 5 CDBDRO CC[C@@H](NC(=O)[C@@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000236933844 361832643 /nfs/dbraw/zinc/83/26/43/361832643.db2.gz SMCWNWSZRDKJDD-OLZOCXBDSA-N 1 0 293.323 1.151 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CCC[NH3+] ZINC000592473649 342698510 /nfs/dbraw/zinc/69/85/10/342698510.db2.gz LNOCFHFCJDQASM-UHFFFAOYSA-N 1 0 280.328 1.122 20 5 CDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000593029636 342755244 /nfs/dbraw/zinc/75/52/44/342755244.db2.gz WTZDGOPZHGYCAC-LBPRGKRZSA-N 1 0 277.324 1.348 20 5 CDBDRO O=C(NCCC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])s1 ZINC000593919438 342851410 /nfs/dbraw/zinc/85/14/10/342851410.db2.gz RECYLXPWYKHDKU-UHFFFAOYSA-N 1 0 283.353 1.776 20 5 CDBDRO C[C@@H](NC(=O)[C@H](N)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000593902429 342853628 /nfs/dbraw/zinc/85/36/28/342853628.db2.gz SWINMJKILKDOAC-ZWNOBZJWSA-N 1 0 294.355 1.051 20 5 CDBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2COCC[NH2+]2)c(Cl)c1 ZINC000600679134 342242099 /nfs/dbraw/zinc/24/20/99/342242099.db2.gz ZTYQCKSHQMAJLX-SNVBAGLBSA-N 1 0 285.731 1.326 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2N[C@@H]2CC[NH2+]C2)n1 ZINC000600712843 342243919 /nfs/dbraw/zinc/24/39/19/342243919.db2.gz BGAWBDCGGXPTHZ-WOPDTQHZSA-N 1 0 279.344 1.227 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCOCC[NH3+] ZINC000600737591 342246493 /nfs/dbraw/zinc/24/64/93/342246493.db2.gz WTOKSZXYDUNBBO-LLVKDONJSA-N 1 0 267.329 1.563 20 5 CDBDRO CC[C@H](NC(=O)N(C)C1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000417859209 529485239 /nfs/dbraw/zinc/48/52/39/529485239.db2.gz VVBIFBXWPQJCCS-ZDUSSCGKSA-N 1 0 292.339 1.659 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2C[C@H](O)C2)n1 ZINC000595100863 343004209 /nfs/dbraw/zinc/00/42/09/343004209.db2.gz BOIDMBNMNTWNTJ-DDHJBXDOSA-N 1 0 280.328 1.388 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000595263657 343015281 /nfs/dbraw/zinc/01/52/81/343015281.db2.gz JGRWDFQXRBLMKA-UHFFFAOYSA-N 1 0 280.328 1.474 20 5 CDBDRO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000595344111 343043621 /nfs/dbraw/zinc/04/36/21/343043621.db2.gz LRSVFWVBOFQTAG-CYBMUJFWSA-N 1 0 268.288 1.937 20 5 CDBDRO Cc1noc(CN2CCC[C@@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000595458422 343068954 /nfs/dbraw/zinc/06/89/54/343068954.db2.gz IAIPMWFPDHPOKY-LLVKDONJSA-N 1 0 282.344 1.807 20 5 CDBDRO COC(=O)[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595555364 343087633 /nfs/dbraw/zinc/08/76/33/343087633.db2.gz JREBFXLFTHBXOD-BXKDBHETSA-N 1 0 296.298 1.975 20 5 CDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCC[NH2+]C1CC1 ZINC000209445456 342328719 /nfs/dbraw/zinc/32/87/19/342328719.db2.gz CNYVARKSBRAXIB-WTKPLQERSA-N 1 0 289.335 1.866 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(O)(CO)CC1 ZINC000595734342 343135271 /nfs/dbraw/zinc/13/52/71/343135271.db2.gz XHRIUXBLROJBTJ-LBPRGKRZSA-N 1 0 294.351 1.783 20 5 CDBDRO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595876229 343178168 /nfs/dbraw/zinc/17/81/68/343178168.db2.gz RCFAWCDEWVPLTR-DOMZBBRYSA-N 1 0 294.351 1.924 20 5 CDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000126461510 187241543 /nfs/dbraw/zinc/24/15/43/187241543.db2.gz SHCIDNAXHMRYLM-NXEZZACHSA-N 1 0 295.364 1.554 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595962865 343197303 /nfs/dbraw/zinc/19/73/03/343197303.db2.gz WEMILCATTAMWBO-UHFFFAOYSA-N 1 0 295.295 1.133 20 5 CDBDRO C[C@]1(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]C1 ZINC000595992841 343213182 /nfs/dbraw/zinc/21/31/82/343213182.db2.gz SSYRQGWLTXNPDG-LBPRGKRZSA-N 1 0 283.715 1.730 20 5 CDBDRO Cc1c(CNC2(CO)CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000595902864 343187742 /nfs/dbraw/zinc/18/77/42/343187742.db2.gz VUVHNYKVAZUMKS-UHFFFAOYSA-N 1 0 279.340 1.107 20 5 CDBDRO CC1(C)CC[NH2+][C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000595924663 343192816 /nfs/dbraw/zinc/19/28/16/343192816.db2.gz IGHAWPIRQQRBIY-LBPRGKRZSA-N 1 0 277.324 1.599 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(NC(N)=O)CC1 ZINC000081541056 342370010 /nfs/dbraw/zinc/37/00/10/342370010.db2.gz KPEQNQSJZCWGQU-JTQLQIEISA-N 1 0 292.339 1.789 20 5 CDBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[N@H+](C)C1CC1 ZINC000596110879 343229805 /nfs/dbraw/zinc/22/98/05/343229805.db2.gz RVNLXVDOGSSYCA-VIFPVBQESA-N 1 0 292.339 1.588 20 5 CDBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000596131925 343238505 /nfs/dbraw/zinc/23/85/05/343238505.db2.gz GJVRJQGVHXIZDE-JTQLQIEISA-N 1 0 279.344 1.280 20 5 CDBDRO CC[NH+](CC)[C@H]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596141134 343241819 /nfs/dbraw/zinc/24/18/19/343241819.db2.gz GPSRJHLHAPIWHH-JTQLQIEISA-N 1 0 280.328 1.616 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc(N)c([N+](=O)[O-])n1 ZINC000596177815 343261673 /nfs/dbraw/zinc/26/16/73/343261673.db2.gz HCMMVOCOGUYTTF-RKDXNWHRSA-N 1 0 265.317 1.101 20 5 CDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@H](C)[N@H+]1C ZINC000596247910 343273771 /nfs/dbraw/zinc/27/37/71/343273771.db2.gz TVRAUAUZUMNJOO-AOOOYVTPSA-N 1 0 292.339 1.223 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000596438946 343321799 /nfs/dbraw/zinc/32/17/99/343321799.db2.gz AQRHGASUWOKHJG-SNVBAGLBSA-N 1 0 294.355 1.773 20 5 CDBDRO COc1ccc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000588975859 342446651 /nfs/dbraw/zinc/44/66/51/342446651.db2.gz KTZZTSWQBJXKIL-NSHDSACASA-N 1 0 293.323 1.301 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000139980222 342444516 /nfs/dbraw/zinc/44/45/16/342444516.db2.gz ATDKEUWEQXFGSA-LBPRGKRZSA-N 1 0 289.335 1.870 20 5 CDBDRO C[N@@H+]1CC[C@H](C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000535447877 282257850 /nfs/dbraw/zinc/25/78/50/282257850.db2.gz VTCCWUDYJLNUBG-LBPRGKRZSA-N 1 0 277.324 1.205 20 5 CDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000597698214 343614895 /nfs/dbraw/zinc/61/48/95/343614895.db2.gz GWSUSYICGIWCMR-ONGXEEELSA-N 1 0 280.328 1.098 20 5 CDBDRO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])s1)[NH+](C)C ZINC000597994631 343684256 /nfs/dbraw/zinc/68/42/56/343684256.db2.gz CLMIVOVAZPHIQN-MRVPVSSYSA-N 1 0 271.342 1.726 20 5 CDBDRO [NH3+][C@]12CCC[C@@H]1CN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000598680424 343863661 /nfs/dbraw/zinc/86/36/61/343863661.db2.gz BOVXBAYCDVHSNN-OCCSQVGLSA-N 1 0 261.325 1.908 20 5 CDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000598668104 343871355 /nfs/dbraw/zinc/87/13/55/343871355.db2.gz QFAAZODHELMRAT-PRHODGIISA-N 1 0 281.337 1.610 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000598668654 343871721 /nfs/dbraw/zinc/87/17/21/343871721.db2.gz CXSQXYFIIREDAA-WFASDCNBSA-N 1 0 289.335 1.857 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](CO)C(C)(C)C ZINC000269669193 529939799 /nfs/dbraw/zinc/93/97/99/529939799.db2.gz QWGDNGMJLYGGIX-LLVKDONJSA-N 1 0 270.333 1.130 20 5 CDBDRO Cc1cnc(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c([N+](=O)[O-])c1 ZINC000599084290 343958059 /nfs/dbraw/zinc/95/80/59/343958059.db2.gz RFQMJBQWJIFZPO-IAZYJMLFSA-N 1 0 262.313 1.294 20 5 CDBDRO O=C(C1C[NH2+]C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000263228247 362352989 /nfs/dbraw/zinc/35/29/89/362352989.db2.gz ALNASXINRJJWQK-UHFFFAOYSA-N 1 0 275.308 1.305 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1CC[NH3+] ZINC000404382350 347037032 /nfs/dbraw/zinc/03/70/32/347037032.db2.gz UTKUYQSPOIPCRO-MWLCHTKSSA-N 1 0 280.328 1.512 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000602599900 344504321 /nfs/dbraw/zinc/50/43/21/344504321.db2.gz TUTCNUSNWBSOLB-HTQZYQBOSA-N 1 0 283.715 1.810 20 5 CDBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000602492185 344450606 /nfs/dbraw/zinc/45/06/06/344450606.db2.gz URPSGGQSYUWLCA-KOLCDFICSA-N 1 0 293.298 1.558 20 5 CDBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000602525495 344453986 /nfs/dbraw/zinc/45/39/86/344453986.db2.gz CBKJWYXFXLNFKS-SNVBAGLBSA-N 1 0 283.353 1.726 20 5 CDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000602527067 344454255 /nfs/dbraw/zinc/45/42/55/344454255.db2.gz JKOQHNSGRNNHGI-ZDUSSCGKSA-N 1 0 277.324 1.665 20 5 CDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000602529619 344455851 /nfs/dbraw/zinc/45/58/51/344455851.db2.gz QKFVJWFEHZYUJX-NSHDSACASA-N 1 0 280.328 1.003 20 5 CDBDRO CC(C)N1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000602551353 344464832 /nfs/dbraw/zinc/46/48/32/344464832.db2.gz CHYOQRHIQGMLGP-ZDUSSCGKSA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@@H](CO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602564194 344482558 /nfs/dbraw/zinc/48/25/58/344482558.db2.gz QHILNEUHVAEIFH-YFKPBYRVSA-N 1 0 295.158 1.889 20 5 CDBDRO CO[C@H](C[NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000602567701 344483780 /nfs/dbraw/zinc/48/37/80/344483780.db2.gz GAYDKHYMCXKMDG-CYBMUJFWSA-N 1 0 282.344 1.586 20 5 CDBDRO CCOc1ccc(C(=O)N2C[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000602594784 344501952 /nfs/dbraw/zinc/50/19/52/344501952.db2.gz DEPLGEVOJZCAFR-GXSJLCMTSA-N 1 0 293.323 1.555 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000602595665 344502249 /nfs/dbraw/zinc/50/22/49/344502249.db2.gz JTZAIHCGHWYODW-UWVGGRQHSA-N 1 0 295.364 1.635 20 5 CDBDRO C[C@H](CCO)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602704740 344548174 /nfs/dbraw/zinc/54/81/74/344548174.db2.gz HSCPQBRZCBBNHI-SECBINFHSA-N 1 0 279.296 1.939 20 5 CDBDRO C[N@@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602713801 344553808 /nfs/dbraw/zinc/55/38/08/344553808.db2.gz CXDAQZVTUPIVNS-SDQPKGBYSA-N 1 0 291.351 1.216 20 5 CDBDRO CO[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602730544 344568761 /nfs/dbraw/zinc/56/87/61/344568761.db2.gz PFCZUNSPKRSNOA-AULYBMBSSA-N 1 0 250.298 1.904 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@H]1[C@@H](C)O ZINC000602775614 344578155 /nfs/dbraw/zinc/57/81/55/344578155.db2.gz KIBCSMAJADFHHF-PWSUYJOCSA-N 1 0 282.344 1.335 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCSCC[C@H]1C ZINC000602832256 344614316 /nfs/dbraw/zinc/61/43/16/344614316.db2.gz WFHQWXLNCGLXAN-SNVBAGLBSA-N 1 0 284.385 1.927 20 5 CDBDRO COC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C(C)C ZINC000602809970 344603094 /nfs/dbraw/zinc/60/30/94/344603094.db2.gz LBKJUOAPHGVVDV-LLVKDONJSA-N 1 0 270.333 1.360 20 5 CDBDRO CCOc1cc(C[NH2+][C@@](C)(CO)COC)ccc1[N+](=O)[O-] ZINC000602931691 344662633 /nfs/dbraw/zinc/66/26/33/344662633.db2.gz JBAKSPYWPGMHPY-AWEZNQCLSA-N 1 0 298.339 1.481 20 5 CDBDRO C[NH2+]Cc1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603212525 344744151 /nfs/dbraw/zinc/74/41/51/344744151.db2.gz UIJVVAOXQFDKPL-SECBINFHSA-N 1 0 261.285 1.515 20 5 CDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)C1CC[NH+](C)CC1 ZINC000604552362 344902905 /nfs/dbraw/zinc/90/29/05/344902905.db2.gz KBWATXMEQSNAFN-SNVBAGLBSA-N 1 0 294.355 1.393 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000038083922 344987529 /nfs/dbraw/zinc/98/75/29/344987529.db2.gz ZJZHAITZMYEVMJ-LBPRGKRZSA-N 1 0 298.364 1.162 20 5 CDBDRO Nc1c(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000292900651 362518218 /nfs/dbraw/zinc/51/82/18/362518218.db2.gz DKNKUZHUFOSHNE-MWLCHTKSSA-N 1 0 290.323 1.001 20 5 CDBDRO CC(C)([NH3+])CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000084185739 178819339 /nfs/dbraw/zinc/81/93/39/178819339.db2.gz LYTFDIFZQMHECS-UHFFFAOYSA-N 1 0 251.286 1.338 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000320257263 345120640 /nfs/dbraw/zinc/12/06/40/345120640.db2.gz QUWACRYAAVZLIF-ZJUUUORDSA-N 1 0 265.313 1.379 20 5 CDBDRO CCN(CCOc1cccc([N+](=O)[O-])c1)CC(=O)N(C)C ZINC000046065020 345619623 /nfs/dbraw/zinc/61/96/23/345619623.db2.gz JRGFTAYYAHUBNG-UHFFFAOYSA-N 1 0 295.339 1.384 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])s3)CC[C@H]21 ZINC000249282838 362631962 /nfs/dbraw/zinc/63/19/62/362631962.db2.gz NHCKMWPNOUVQQO-NXEZZACHSA-N 1 0 282.369 1.972 20 5 CDBDRO Cc1n[nH]c(C(=O)N[C@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000609583372 345819181 /nfs/dbraw/zinc/81/91/81/345819181.db2.gz CWNFABYHUGQHPQ-MRVPVSSYSA-N 1 0 295.343 1.086 20 5 CDBDRO CCO[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000610447908 346284436 /nfs/dbraw/zinc/28/44/36/346284436.db2.gz LVHQJGHAFRLPEB-LBPRGKRZSA-N 1 0 268.317 1.292 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000086469316 362712609 /nfs/dbraw/zinc/71/26/09/362712609.db2.gz AHOWYZYMQWBRQJ-NWDGAFQWSA-N 1 0 263.341 1.820 20 5 CDBDRO CC[N@@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611087725 346603575 /nfs/dbraw/zinc/60/35/75/346603575.db2.gz FMVMEYFOURFILK-GFCCVEGCSA-N 1 0 291.351 1.690 20 5 CDBDRO CC[N@@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])C[C@@H]1C ZINC000611084730 346604156 /nfs/dbraw/zinc/60/41/56/346604156.db2.gz OQNWXUHPJSTUNF-VIFPVBQESA-N 1 0 295.368 1.834 20 5 CDBDRO Cc1cccc(N2CC[NH+](C(C)(C)CO)CC2)c1[N+](=O)[O-] ZINC000614976731 348290806 /nfs/dbraw/zinc/29/08/06/348290806.db2.gz DMHBOOJDYPAGQB-UHFFFAOYSA-N 1 0 293.367 1.796 20 5 CDBDRO C[N@H+](CCNC(=O)CNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000058858363 348871951 /nfs/dbraw/zinc/87/19/51/348871951.db2.gz DEIGGIFEHBPJKO-UHFFFAOYSA-N 1 0 292.339 1.217 20 5 CDBDRO C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000060859463 348898784 /nfs/dbraw/zinc/89/87/84/348898784.db2.gz BMCRLIBTGMOQQD-UHFFFAOYSA-N 1 0 269.326 1.480 20 5 CDBDRO CCCCC[N@H+](CCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090548991 180001691 /nfs/dbraw/zinc/00/16/91/180001691.db2.gz XNFOMKOZKRSPHY-UHFFFAOYSA-N 1 0 297.355 1.241 20 5 CDBDRO COC[C@H](O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090950126 180072058 /nfs/dbraw/zinc/07/20/58/180072058.db2.gz IJPVSBLEQBAVIZ-NWDGAFQWSA-N 1 0 282.340 1.951 20 5 CDBDRO CCO[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC000252768036 350461396 /nfs/dbraw/zinc/46/13/96/350461396.db2.gz GWQBJTIOBVMUJL-RRFJBIMHSA-N 1 0 294.351 1.919 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000364128325 362958478 /nfs/dbraw/zinc/95/84/78/362958478.db2.gz DPBFCFOCWLWWGK-GFCCVEGCSA-N 1 0 289.335 1.905 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000110794472 186324971 /nfs/dbraw/zinc/32/49/71/186324971.db2.gz LZQLVNFCLCKMTR-NSHDSACASA-N 1 0 277.324 1.633 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000311641891 350702156 /nfs/dbraw/zinc/70/21/56/350702156.db2.gz LBFAWAZAFQPCSZ-SECBINFHSA-N 1 0 267.333 1.713 20 5 CDBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000454322160 252342296 /nfs/dbraw/zinc/34/22/96/252342296.db2.gz JXWXHZKXUZVFLL-JTQLQIEISA-N 1 0 280.328 1.479 20 5 CDBDRO C[NH2+]C1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000312850888 350796270 /nfs/dbraw/zinc/79/62/70/350796270.db2.gz QKMVWAUJUJAAQK-UHFFFAOYSA-N 1 0 293.352 1.788 20 5 CDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCn1cccn1 ZINC000111280969 186387616 /nfs/dbraw/zinc/38/76/16/186387616.db2.gz IRTQIRGSUJTNFD-UHFFFAOYSA-N 1 0 290.323 1.802 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000124764113 351369859 /nfs/dbraw/zinc/36/98/59/351369859.db2.gz NPGUAYFUZAVCQO-HTQZYQBOSA-N 1 0 253.258 1.140 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000122323275 187026879 /nfs/dbraw/zinc/02/68/79/187026879.db2.gz RKRKKWAKYWSIHF-GFCCVEGCSA-N 1 0 263.297 1.087 20 5 CDBDRO CC(C)N(CC[NH+](C)C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151853549 187982870 /nfs/dbraw/zinc/98/28/70/187982870.db2.gz AKJBAUDHQAZBFG-UHFFFAOYSA-N 1 0 293.367 1.936 20 5 CDBDRO C[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000292429154 198284952 /nfs/dbraw/zinc/28/49/52/198284952.db2.gz QNLMXVQQFXKLAZ-NSHDSACASA-N 1 0 279.340 1.451 20 5 CDBDRO COc1cc(C(=O)N2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000156693450 188277612 /nfs/dbraw/zinc/27/76/12/188277612.db2.gz NJYBPYRGXPGUPL-SECBINFHSA-N 1 0 279.296 1.024 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000158229983 188364588 /nfs/dbraw/zinc/36/45/88/188364588.db2.gz LWIPOMSHUIAJRB-VIFPVBQESA-N 1 0 297.286 1.062 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158761020 188392554 /nfs/dbraw/zinc/39/25/54/188392554.db2.gz NCTVYICZTIJUNT-OAHLLOKOSA-N 1 0 289.335 1.729 20 5 CDBDRO C[C@@H](CN1CCOCC1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000036932576 363293262 /nfs/dbraw/zinc/29/32/62/363293262.db2.gz VMFWTEUTGUSKHX-LBPRGKRZSA-N 1 0 279.340 1.405 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000172911638 188833692 /nfs/dbraw/zinc/83/36/92/188833692.db2.gz MLIKHIQKSNXUKK-UHFFFAOYSA-N 1 0 279.340 1.975 20 5 CDBDRO Cc1cc(C(=O)N[C@@H](C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000336787268 356262320 /nfs/dbraw/zinc/26/23/20/356262320.db2.gz DRRIIHJKAMWVSH-VIFPVBQESA-N 1 0 251.286 1.370 20 5 CDBDRO C[C@H]1C[C@H]1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000578194466 356264002 /nfs/dbraw/zinc/26/40/02/356264002.db2.gz LZIUSGLBZDPDPD-RYUDHWBXSA-N 1 0 276.340 1.768 20 5 CDBDRO C[C@@H](O)CN(CCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000336812125 356273776 /nfs/dbraw/zinc/27/37/76/356273776.db2.gz QFDALVBLYOPRGY-SECBINFHSA-N 1 0 288.731 1.423 20 5 CDBDRO Cc1ccc(C[NH2+]CC(C)(C)OCCO)cc1[N+](=O)[O-] ZINC000336834672 356291151 /nfs/dbraw/zinc/29/11/51/356291151.db2.gz IMYMGRHWFOFBQP-UHFFFAOYSA-N 1 0 282.340 1.780 20 5 CDBDRO CC[NH+](CC)CCCCNc1ncc([N+](=O)[O-])cn1 ZINC000273603706 192226110 /nfs/dbraw/zinc/22/61/10/192226110.db2.gz KAFYXMNXHKBXDE-UHFFFAOYSA-N 1 0 267.333 1.919 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)C2CCOCC2)cc1 ZINC000359875723 356429522 /nfs/dbraw/zinc/42/95/22/356429522.db2.gz NUSHPKJXQPJYDU-AWEZNQCLSA-N 1 0 280.324 1.472 20 5 CDBDRO CC[N@H+](C)CCNc1cccc(OC)c1[N+](=O)[O-] ZINC000134917241 356526753 /nfs/dbraw/zinc/52/67/53/356526753.db2.gz HYMDGRHCIGDPDU-UHFFFAOYSA-N 1 0 253.302 1.967 20 5 CDBDRO CC1(C)CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000175398025 356532067 /nfs/dbraw/zinc/53/20/67/356532067.db2.gz OMESGURQNJYFKD-UHFFFAOYSA-N 1 0 292.339 1.217 20 5 CDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001579537596 1172208471 /nfs/dbraw/zinc/20/84/71/1172208471.db2.gz YZZGLUURSPMPCL-NSHDSACASA-N 1 0 295.314 1.770 20 5 CDBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000360087957 356722583 /nfs/dbraw/zinc/72/25/83/356722583.db2.gz ZFCAUONQWXCGQD-NSHDSACASA-N 1 0 294.355 1.347 20 5 CDBDRO COC[C@@](C)(O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000069911791 356832652 /nfs/dbraw/zinc/83/26/52/356832652.db2.gz LZFLKGKKFBGSDF-ZDUSSCGKSA-N 1 0 268.313 1.390 20 5 CDBDRO CCNC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000036780310 356882323 /nfs/dbraw/zinc/88/23/23/356882323.db2.gz BVCVEDVLQJFKRH-VIFPVBQESA-N 1 0 251.286 1.382 20 5 CDBDRO C[C@@H]1[NH2+]CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H]1C ZINC000379469201 357122904 /nfs/dbraw/zinc/12/29/04/357122904.db2.gz NTHXUZSGUNWDLD-IUCAKERBSA-N 1 0 281.287 1.556 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000261548490 357220409 /nfs/dbraw/zinc/22/04/09/357220409.db2.gz BYBJJHRLYRUXBD-JGVFFNPUSA-N 1 0 270.720 1.830 20 5 CDBDRO NC(=O)C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283088565 357523863 /nfs/dbraw/zinc/52/38/63/357523863.db2.gz LCNANRTYALSHRW-SNVBAGLBSA-N 1 0 295.314 1.821 20 5 CDBDRO Cc1cc(N(C)CCC(N)=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000286596524 357561041 /nfs/dbraw/zinc/56/10/41/357561041.db2.gz SEDFXECDFZPZHY-UHFFFAOYSA-N 1 0 288.307 1.763 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000186723943 357678527 /nfs/dbraw/zinc/67/85/27/357678527.db2.gz HNDNIEWDLMLIHE-RISCZKNCSA-N 1 0 291.351 1.642 20 5 CDBDRO O=C1OCC[C@@]12CCCN2CCc1ccc([N+](=O)[O-])cc1 ZINC000186667154 357673739 /nfs/dbraw/zinc/67/37/39/357673739.db2.gz CBTHSZXVPFPGNB-HNNXBMFYSA-N 1 0 290.319 1.919 20 5 CDBDRO CN(c1ncc([N+](=O)[O-])cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000234326106 357684850 /nfs/dbraw/zinc/68/48/50/357684850.db2.gz GJAZRJYEFHXBPQ-SSDOTTSWSA-N 1 0 256.693 1.441 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000294208750 198952453 /nfs/dbraw/zinc/95/24/53/198952453.db2.gz OKOBZSFKWKAIHO-SNVBAGLBSA-N 1 0 279.340 1.831 20 5 CDBDRO [NH3+]CC1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000135215966 357782580 /nfs/dbraw/zinc/78/25/80/357782580.db2.gz XQZKOBKPCMFIBE-UHFFFAOYSA-N 1 0 277.324 1.335 20 5 CDBDRO Cc1ccc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000188190223 357858180 /nfs/dbraw/zinc/85/81/80/357858180.db2.gz SPKQKCFQUWRJRK-WCBMZHEXSA-N 1 0 267.260 1.542 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000610708855 357828431 /nfs/dbraw/zinc/82/84/31/357828431.db2.gz WPMKECKTHMVHAH-PELKAZGASA-N 1 0 278.312 1.135 20 5 CDBDRO CC(C)Oc1nc(NCC[NH2+]C(C)(C)C)ccc1[N+](=O)[O-] ZINC000566478428 357832018 /nfs/dbraw/zinc/83/20/18/357832018.db2.gz OVKMCHJSZUTHRK-UHFFFAOYSA-N 1 0 296.371 1.999 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000189303393 357994562 /nfs/dbraw/zinc/99/45/62/357994562.db2.gz AGQOBRNTCXXGOW-YUMQZZPRSA-N 1 0 253.258 1.058 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001579642356 1172232659 /nfs/dbraw/zinc/23/26/59/1172232659.db2.gz BQXWXRHOPMOPJZ-AOOOYVTPSA-N 1 0 278.312 1.762 20 5 CDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000287094971 358095390 /nfs/dbraw/zinc/09/53/90/358095390.db2.gz LCLQMWPWTPFCDK-CMPLNLGQSA-N 1 0 292.339 1.622 20 5 CDBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000368974810 283337975 /nfs/dbraw/zinc/33/79/75/283337975.db2.gz QULNLBGVQIYQER-YUTCNCBUSA-N 1 0 289.335 1.681 20 5 CDBDRO C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294780966 199180028 /nfs/dbraw/zinc/18/00/28/199180028.db2.gz NVDYXMFIOVEEMH-NOZJJQNGSA-N 1 0 297.380 1.696 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(C2CC2)CC1 ZINC000541595467 358433762 /nfs/dbraw/zinc/43/37/62/358433762.db2.gz QJXMMMBKGQMJQB-UHFFFAOYSA-N 1 0 263.297 1.289 20 5 CDBDRO COC(=O)COC[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000295759891 358525888 /nfs/dbraw/zinc/52/58/88/358525888.db2.gz QBQCUOOIQFSNEO-NSHDSACASA-N 1 0 296.323 1.305 20 5 CDBDRO CC(C)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1nccs1 ZINC000176247771 358750513 /nfs/dbraw/zinc/75/05/13/358750513.db2.gz FHUBIMZYUUHYKK-UHFFFAOYSA-N 1 0 281.341 1.773 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C[NH3+])C2CC2)c1 ZINC000159177440 358782144 /nfs/dbraw/zinc/78/21/44/358782144.db2.gz WVSLRSDJCNJXIS-LLVKDONJSA-N 1 0 295.364 1.784 20 5 CDBDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000449450301 358807215 /nfs/dbraw/zinc/80/72/15/358807215.db2.gz BBNZVOXPVNEOEX-GXTWGEPZSA-N 1 0 280.324 1.736 20 5 CDBDRO COC[C@H](O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084440170 358876544 /nfs/dbraw/zinc/87/65/44/358876544.db2.gz FXGZSFDBGYOZQF-SNVBAGLBSA-N 1 0 274.704 1.345 20 5 CDBDRO CN(C)C(=O)CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084440007 358877836 /nfs/dbraw/zinc/87/78/36/358877836.db2.gz FIMLEDHVOAMNCK-UHFFFAOYSA-N 1 0 285.731 1.816 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ncn(C)n1 ZINC000539059906 358953181 /nfs/dbraw/zinc/95/31/81/358953181.db2.gz KPZDIUIBDCWLOM-JTQLQIEISA-N 1 0 275.312 1.883 20 5 CDBDRO C[N@@H+]1CC[C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000287735069 359114180 /nfs/dbraw/zinc/11/41/80/359114180.db2.gz GIXWAVOGZCWCNA-MRVPVSSYSA-N 1 0 293.352 1.963 20 5 CDBDRO CCN(C)C(=O)CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338359821 359118223 /nfs/dbraw/zinc/11/82/23/359118223.db2.gz ZQCCEYDNGWRCJX-UHFFFAOYSA-N 1 0 293.367 1.938 20 5 CDBDRO CNc1ccc(C(=O)NC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000569603765 359251521 /nfs/dbraw/zinc/25/15/21/359251521.db2.gz XOSGWKBOOLLXOV-JTQLQIEISA-N 1 0 278.312 1.118 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339428602 359402368 /nfs/dbraw/zinc/40/23/68/359402368.db2.gz PUPHXSBUOIMRMM-CQSZACIVSA-N 1 0 293.371 1.246 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000332739059 359497644 /nfs/dbraw/zinc/49/76/44/359497644.db2.gz YCHQFHJLSKVTPH-JTQLQIEISA-N 1 0 268.317 1.064 20 5 CDBDRO C[N@H+](CCNC(=O)c1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000060941410 359828834 /nfs/dbraw/zinc/82/88/34/359828834.db2.gz SKLPUGCATCXKQI-UHFFFAOYSA-N 1 0 281.287 1.558 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000054264095 360066490 /nfs/dbraw/zinc/06/64/90/360066490.db2.gz IQHWLUKTSPJGTN-UHFFFAOYSA-N 1 0 285.731 1.978 20 5 CDBDRO COc1ccc(C(=O)NC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000063020214 360125276 /nfs/dbraw/zinc/12/52/76/360125276.db2.gz XUFQOHLFGXFSBX-UHFFFAOYSA-N 1 0 267.285 1.071 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000226779231 360219188 /nfs/dbraw/zinc/21/91/88/360219188.db2.gz VBCBWDGETZUSLW-MRVPVSSYSA-N 1 0 256.331 1.487 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000130428919 360393727 /nfs/dbraw/zinc/39/37/27/360393727.db2.gz ALHZWIDPOWJFNM-VIFPVBQESA-N 1 0 268.317 1.181 20 5 CDBDRO COC[C@@]1(CO)CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000451924605 360493276 /nfs/dbraw/zinc/49/32/76/360493276.db2.gz JGZCNHRYRRDVJD-HNNXBMFYSA-N 1 0 294.351 1.734 20 5 CDBDRO CCCC[N@H+](C)CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000112311200 360522252 /nfs/dbraw/zinc/52/22/52/360522252.db2.gz QAHPYIUNDCXALI-UHFFFAOYSA-N 1 0 297.359 1.030 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000162839771 360532802 /nfs/dbraw/zinc/53/28/02/360532802.db2.gz HEDZWHKSFRXXLV-MFKMUULPSA-N 1 0 293.323 1.069 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000348157767 360532908 /nfs/dbraw/zinc/53/29/08/360532908.db2.gz QWAITQMZAUUNIM-VIFPVBQESA-N 1 0 266.301 1.666 20 5 CDBDRO COc1ccc(C[N@@H+]2CC[C@](C)(O)C2)cc1[N+](=O)[O-] ZINC000178002554 189084735 /nfs/dbraw/zinc/08/47/35/189084735.db2.gz UYERYKVSYAAGJI-ZDUSSCGKSA-N 1 0 266.297 1.560 20 5 CDBDRO [NH3+]C[C@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000178528657 189124186 /nfs/dbraw/zinc/12/41/86/189124186.db2.gz UVIBUKIGUVTDED-LLVKDONJSA-N 1 0 292.339 1.204 20 5 CDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178737379 189141896 /nfs/dbraw/zinc/14/18/96/189141896.db2.gz XATNJQPCBWFERP-JTQLQIEISA-N 1 0 292.339 1.143 20 5 CDBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000070076506 361239019 /nfs/dbraw/zinc/23/90/19/361239019.db2.gz RYEPPSAHHLLEHE-PHIMTYICSA-N 1 0 277.324 1.346 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)c1 ZINC000037982637 361286003 /nfs/dbraw/zinc/28/60/03/361286003.db2.gz FELFTCHLHWKKSF-LLVKDONJSA-N 1 0 284.337 1.119 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000237374473 361373293 /nfs/dbraw/zinc/37/32/93/361373293.db2.gz AJKGJGKVZZXWSF-ZETCQYMHSA-N 1 0 255.249 1.059 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000168717530 361409051 /nfs/dbraw/zinc/40/90/51/361409051.db2.gz CUDKGASGIWHMML-JAWJWVIGSA-N 1 0 289.335 1.804 20 5 CDBDRO C[C@@H](O)CC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000135406217 361729377 /nfs/dbraw/zinc/72/93/77/361729377.db2.gz DLCLFBNZSRYRTA-LLVKDONJSA-N 1 0 252.314 1.840 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000581000865 363961450 /nfs/dbraw/zinc/96/14/50/363961450.db2.gz HHRRGPUHIHEWFL-LBPRGKRZSA-N 1 0 292.339 1.475 20 5 CDBDRO C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[NH+](C)C ZINC000037985589 363963272 /nfs/dbraw/zinc/96/32/72/363963272.db2.gz KSBXLAWILWNWMG-MRVPVSSYSA-N 1 0 285.731 1.928 20 5 CDBDRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000104135362 364798335 /nfs/dbraw/zinc/79/83/35/364798335.db2.gz NRRBRDDPCMCKEB-QMMMGPOBSA-N 1 0 266.301 1.122 20 5 CDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000121614494 366877024 /nfs/dbraw/zinc/87/70/24/366877024.db2.gz UCDRTJMBBBOVFD-VIFPVBQESA-N 1 0 267.285 1.259 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@H](C)C[NH3+] ZINC000415492424 241702968 /nfs/dbraw/zinc/70/29/68/241702968.db2.gz BYVFDOBGTQXJNY-SECBINFHSA-N 1 0 266.301 1.714 20 5 CDBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000122655875 367568453 /nfs/dbraw/zinc/56/84/53/367568453.db2.gz QRICCDMFOWEROK-SNVBAGLBSA-N 1 0 268.317 1.368 20 5 CDBDRO C[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])[NH+](C)C ZINC000272632156 367784484 /nfs/dbraw/zinc/78/44/84/367784484.db2.gz AMJVJTSUOAXMEI-MRVPVSSYSA-N 1 0 267.289 1.061 20 5 CDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C1=CC[N@H+](C)CC1 ZINC000272635281 367785582 /nfs/dbraw/zinc/78/55/82/367785582.db2.gz BVYUJJNYLJIFQO-VIFPVBQESA-N 1 0 279.296 1.568 20 5 CDBDRO C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000269196232 367920548 /nfs/dbraw/zinc/92/05/48/367920548.db2.gz LNHPDTMCIAZHTL-KOLCDFICSA-N 1 0 292.339 1.295 20 5 CDBDRO CC[C@@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000301152879 368098139 /nfs/dbraw/zinc/09/81/39/368098139.db2.gz BJDZNDDFDMBTQX-NWDGAFQWSA-N 1 0 294.355 1.271 20 5 CDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C[NH3+] ZINC000418563931 243218118 /nfs/dbraw/zinc/21/81/18/243218118.db2.gz ISYXMAIOQJTGAF-NSHDSACASA-N 1 0 294.355 1.862 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418525816 243179040 /nfs/dbraw/zinc/17/90/40/243179040.db2.gz OWZHWNSUXHORKM-SNVBAGLBSA-N 1 0 292.339 1.616 20 5 CDBDRO Cc1ccc(C[N@H+](CCO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000275998554 193184508 /nfs/dbraw/zinc/18/45/08/193184508.db2.gz OLDDLHSPPVRHHM-UHFFFAOYSA-N 1 0 294.351 1.877 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000089107167 368974156 /nfs/dbraw/zinc/97/41/56/368974156.db2.gz UYJQRKYRXMUCOS-WCBMZHEXSA-N 1 0 266.301 1.170 20 5 CDBDRO C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000420340570 244111296 /nfs/dbraw/zinc/11/12/96/244111296.db2.gz SPKWWBTZJRFKIN-VIFPVBQESA-N 1 0 253.277 1.528 20 5 CDBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@]1(CO)CCOC1 ZINC000330815016 203270689 /nfs/dbraw/zinc/27/06/89/203270689.db2.gz QKCJRHWVBBFMQJ-ZDUSSCGKSA-N 1 0 266.297 1.178 20 5 CDBDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000227966897 189789486 /nfs/dbraw/zinc/78/94/86/189789486.db2.gz DYAVWEKQJKAHCV-LDYMZIIASA-N 1 0 272.326 1.286 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000266198895 370967213 /nfs/dbraw/zinc/96/72/13/370967213.db2.gz NJSSMBICMGIHGT-GFCCVEGCSA-N 1 0 291.351 1.927 20 5 CDBDRO C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000037766486 370079188 /nfs/dbraw/zinc/07/91/88/370079188.db2.gz VYEMRDJCRKTBNB-BXKDBHETSA-N 1 0 263.297 1.524 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000037766489 370079208 /nfs/dbraw/zinc/07/92/08/370079208.db2.gz GUNQPFXWLKZFFD-GWCFXTLKSA-N 1 0 277.324 1.914 20 5 CDBDRO CCn1nc(C)c(C[NH2+]CCc2cccc([N+](=O)[O-])c2)n1 ZINC000295433499 370240120 /nfs/dbraw/zinc/24/01/20/370240120.db2.gz OXSPWPVXRGASQS-UHFFFAOYSA-N 1 0 289.339 1.847 20 5 CDBDRO COc1ccc(CNC(=O)[C@@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000277080009 193549089 /nfs/dbraw/zinc/54/90/89/193549089.db2.gz PZEFXTCSAKFBRM-DTWKUNHWSA-N 1 0 281.312 1.203 20 5 CDBDRO Cc1nc(N[C@H](C)C[N@@H+](C)C(C)C)ncc1[N+](=O)[O-] ZINC000295655697 370555500 /nfs/dbraw/zinc/55/55/00/370555500.db2.gz HDSLGPUUYVPBMB-SECBINFHSA-N 1 0 267.333 1.834 20 5 CDBDRO Cc1c(CC(=O)N2CC[NH2+]C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000422766354 245230396 /nfs/dbraw/zinc/23/03/96/245230396.db2.gz WZQKINSDLWERLK-JTQLQIEISA-N 1 0 277.324 1.266 20 5 CDBDRO C[C@@H](CN)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414942698 371136482 /nfs/dbraw/zinc/13/64/82/371136482.db2.gz KNIXSEGTYGEBOJ-QWRGUYRKSA-N 1 0 251.330 1.853 20 5 CDBDRO Cc1c(CC(=O)NCC[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000422789049 245257014 /nfs/dbraw/zinc/25/70/14/245257014.db2.gz SYAICUACRFYMRP-SECBINFHSA-N 1 0 265.313 1.299 20 5 CDBDRO Cc1c(CC(=O)N[C@](C)(C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000422827466 245306097 /nfs/dbraw/zinc/30/60/97/245306097.db2.gz MYOFKFZOOFWJOE-OAHLLOKOSA-N 1 0 291.351 1.689 20 5 CDBDRO Cc1c(CC(=O)N[C@](C)(C[NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000422848896 245327598 /nfs/dbraw/zinc/32/75/98/245327598.db2.gz BHLDFCWFPILQJE-OAHLLOKOSA-N 1 0 293.367 1.935 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[NH+](C)C ZINC000298339811 373518110 /nfs/dbraw/zinc/51/81/10/373518110.db2.gz IIAIUJHCWUYDJA-JTQLQIEISA-N 1 0 265.313 1.583 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)cc([N+](=O)[O-])c1 ZINC000368386359 373835944 /nfs/dbraw/zinc/83/59/44/373835944.db2.gz WMGQBTKLFOLJCN-CYBMUJFWSA-N 1 0 289.335 1.775 20 5 CDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000543712586 374203817 /nfs/dbraw/zinc/20/38/17/374203817.db2.gz HEWUUHXKDHQNJK-SNVBAGLBSA-N 1 0 292.339 1.249 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCCCC1 ZINC000298832633 374226193 /nfs/dbraw/zinc/22/61/93/374226193.db2.gz BCQKVOCVQFATCF-UHFFFAOYSA-N 1 0 294.355 1.917 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(O)CC2)cc1 ZINC000065208769 374256631 /nfs/dbraw/zinc/25/66/31/374256631.db2.gz CEKFXJLEYCCLET-UHFFFAOYSA-N 1 0 266.297 1.430 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCn3cccn3)CC2)n1 ZINC000369692781 374361712 /nfs/dbraw/zinc/36/17/12/374361712.db2.gz KQANGNMHEOWFOD-UHFFFAOYSA-N 1 0 290.327 1.325 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000423815051 246112357 /nfs/dbraw/zinc/11/23/57/246112357.db2.gz VOWNSPSKQLMVDJ-QWHCGFSZSA-N 1 0 291.351 1.908 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC000370082826 374378006 /nfs/dbraw/zinc/37/80/06/374378006.db2.gz OMWQQPMDHGKUQT-CABCVRRESA-N 1 0 292.335 1.475 20 5 CDBDRO Cc1c([C@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cccc1[N+](=O)[O-] ZINC000423442153 374381358 /nfs/dbraw/zinc/38/13/58/374381358.db2.gz VATZXFQRCGKRCL-PQFRYHKHSA-N 1 0 261.325 1.772 20 5 CDBDRO CC[C@H](NC[C@@H]1C[NH2+]CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423480668 374384922 /nfs/dbraw/zinc/38/49/22/374384922.db2.gz PMKACEYROOLHFQ-GJZGRUSLSA-N 1 0 292.383 1.539 20 5 CDBDRO C[C@@H]1COCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000371100581 374408684 /nfs/dbraw/zinc/40/86/84/374408684.db2.gz PGJKUTQLCBCQEN-FZMZJTMJSA-N 1 0 280.324 1.597 20 5 CDBDRO CC(C)(CNc1ncc([N+](=O)[O-])c(N)n1)C[NH+]1CCCC1 ZINC000276842604 374435766 /nfs/dbraw/zinc/43/57/66/374435766.db2.gz PZNNKUAKPBNTTL-UHFFFAOYSA-N 1 0 294.359 1.501 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000349983489 374493223 /nfs/dbraw/zinc/49/32/23/374493223.db2.gz BHIVSEPHAWSQEY-ZJUUUORDSA-N 1 0 297.380 1.929 20 5 CDBDRO Nc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000375695968 374507709 /nfs/dbraw/zinc/50/77/09/374507709.db2.gz GFNRLSJQHRXLEE-VXGBXAGGSA-N 1 0 292.339 1.452 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000429170928 374571755 /nfs/dbraw/zinc/57/17/55/374571755.db2.gz MDYWHDVKDDBJGV-CABZTGNLSA-N 1 0 293.323 1.413 20 5 CDBDRO CSc1ccc(C(=O)N[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000274398103 374674464 /nfs/dbraw/zinc/67/44/64/374674464.db2.gz FYXRECWTCYSRQV-SSDOTTSWSA-N 1 0 269.326 1.394 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC[NH+](C)C ZINC000277592377 374795440 /nfs/dbraw/zinc/79/54/40/374795440.db2.gz NPTLCILNWLFKGE-UHFFFAOYSA-N 1 0 281.312 1.237 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000330581131 374869349 /nfs/dbraw/zinc/86/93/49/374869349.db2.gz QMXSGWLQFOPAIF-NEPJUHHUSA-N 1 0 281.360 1.206 20 5 CDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347256225 374987393 /nfs/dbraw/zinc/98/73/93/374987393.db2.gz IOBHHBXFPNRQOV-NSHDSACASA-N 1 0 296.302 1.950 20 5 CDBDRO COc1ccc(C[NH2+]CCC2(O)CCC2)cc1[N+](=O)[O-] ZINC000284115993 375129650 /nfs/dbraw/zinc/12/96/50/375129650.db2.gz SXQSQSLSZFUDAW-UHFFFAOYSA-N 1 0 280.324 1.998 20 5 CDBDRO C[C@@H](O)C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000131266745 375208469 /nfs/dbraw/zinc/20/84/69/375208469.db2.gz BWMNYJHHULYJNV-SNVBAGLBSA-N 1 0 254.286 1.286 20 5 CDBDRO CC(C)(C)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000131287075 375214875 /nfs/dbraw/zinc/21/48/75/375214875.db2.gz GEFYDBQGGMTULW-UHFFFAOYSA-N 1 0 295.339 1.559 20 5 CDBDRO COC[C@@H](O)CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344787251 375446130 /nfs/dbraw/zinc/44/61/30/375446130.db2.gz DDHOBFAQAAIHMO-PINLSGDHSA-N 1 0 294.351 1.985 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCOCCO)cc1 ZINC000227333432 375503329 /nfs/dbraw/zinc/50/33/29/375503329.db2.gz TZABGCSMTUNIHE-UHFFFAOYSA-N 1 0 254.286 1.083 20 5 CDBDRO Cn1c(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000352596653 375520334 /nfs/dbraw/zinc/52/03/34/375520334.db2.gz CBNPWURDMWNSIU-CMPLNLGQSA-N 1 0 292.339 1.100 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000058158447 375673454 /nfs/dbraw/zinc/67/34/54/375673454.db2.gz YYJKIUVBZAAPCG-NSHDSACASA-N 1 0 275.308 1.561 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH2+]CC1 ZINC000428117182 247245499 /nfs/dbraw/zinc/24/54/99/247245499.db2.gz URJSPFIJORVWHI-UHFFFAOYSA-N 1 0 293.323 1.333 20 5 CDBDRO CC[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000228393664 375755968 /nfs/dbraw/zinc/75/59/68/375755968.db2.gz NLYZTBFTKZVPEA-TZMCWYRMSA-N 1 0 291.351 1.723 20 5 CDBDRO O=C(NCC[NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000133465360 375784525 /nfs/dbraw/zinc/78/45/25/375784525.db2.gz QIGHWOPFDDIPKC-UHFFFAOYSA-N 1 0 277.324 1.253 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000261611867 190041590 /nfs/dbraw/zinc/04/15/90/190041590.db2.gz DZJLQONCFFLJSP-AAEUAGOBSA-N 1 0 289.335 1.585 20 5 CDBDRO CC[N@H+](C)CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000049320552 375937798 /nfs/dbraw/zinc/93/77/98/375937798.db2.gz SNRYRQJSAUNGDL-UHFFFAOYSA-N 1 0 269.330 1.668 20 5 CDBDRO C[C@H]([NH2+]C[C@H](O)[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000358043129 375948311 /nfs/dbraw/zinc/94/83/11/375948311.db2.gz HFHYJVBCZSGMBI-JKOKRWQUSA-N 1 0 280.324 1.643 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC2(CC[NH2+]C2)CC1 ZINC000261697898 190042879 /nfs/dbraw/zinc/04/28/79/190042879.db2.gz FHQVZRYGHVFNJE-UHFFFAOYSA-N 1 0 289.335 1.811 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000261711020 190043024 /nfs/dbraw/zinc/04/30/24/190043024.db2.gz PCZYRTJGXHJROV-CHWSQXEVSA-N 1 0 289.335 1.727 20 5 CDBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N)C1CC[NH2+]CC1 ZINC000262062204 190047541 /nfs/dbraw/zinc/04/75/41/190047541.db2.gz IRLDSPWUWQWCSU-UHFFFAOYSA-N 1 0 278.312 1.001 20 5 CDBDRO CCc1ccc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000262778979 190062684 /nfs/dbraw/zinc/06/26/84/190062684.db2.gz LZZJQQBWFOYLPP-MFKMUULPSA-N 1 0 291.351 1.885 20 5 CDBDRO C[N@H+](CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000264215775 190097001 /nfs/dbraw/zinc/09/70/01/190097001.db2.gz UGSWZLNNORIFEV-UHFFFAOYSA-N 1 0 291.307 1.716 20 5 CDBDRO CC(C)[C@@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487086923 376686805 /nfs/dbraw/zinc/68/68/05/376686805.db2.gz OMKYJRWDULHAQV-LBPRGKRZSA-N 1 0 264.329 1.766 20 5 CDBDRO CC[NH+](CC)CCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000121310870 284596297 /nfs/dbraw/zinc/59/62/97/284596297.db2.gz MIBWZXJBXPRRLS-UHFFFAOYSA-N 1 0 297.359 1.030 20 5 CDBDRO CCN(CCC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000188887105 377101509 /nfs/dbraw/zinc/10/15/09/377101509.db2.gz VRSBJYTUXQCMDK-UHFFFAOYSA-N 1 0 294.355 1.591 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000189308822 377229239 /nfs/dbraw/zinc/22/92/39/377229239.db2.gz GRTMQLSPUCIEPD-BXKDBHETSA-N 1 0 263.297 1.465 20 5 CDBDRO COc1cc(C(=O)N[C@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000264879394 190141180 /nfs/dbraw/zinc/14/11/80/190141180.db2.gz HSNPBIRFOOBYJB-SNVBAGLBSA-N 1 0 295.339 1.673 20 5 CDBDRO COC[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000265819702 190210145 /nfs/dbraw/zinc/21/01/45/190210145.db2.gz RQNWSZXHRJFKBD-LBPRGKRZSA-N 1 0 280.324 1.942 20 5 CDBDRO C[C@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCC[N@@H+]1C ZINC000345290856 377817001 /nfs/dbraw/zinc/81/70/01/377817001.db2.gz MHNSNNPACRSGAL-GXSJLCMTSA-N 1 0 292.339 1.390 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173722826 378989067 /nfs/dbraw/zinc/98/90/67/378989067.db2.gz HYEWVRRXTNKFGM-CYBMUJFWSA-N 1 0 277.324 1.348 20 5 CDBDRO CCC[C@@]1(CO)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000444772264 250186969 /nfs/dbraw/zinc/18/69/69/250186969.db2.gz NBVLUJFMIIGQGH-ZDUSSCGKSA-N 1 0 282.344 1.418 20 5 CDBDRO O=CN1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000278830946 194174117 /nfs/dbraw/zinc/17/41/17/194174117.db2.gz TYERKUIADKDWEC-UHFFFAOYSA-N 1 0 263.297 1.305 20 5 CDBDRO COc1ccc(OCC[N@H+](C)CC[C@H](C)O)c([N+](=O)[O-])c1 ZINC000173826064 379321618 /nfs/dbraw/zinc/32/16/18/379321618.db2.gz GUYUUOSTTBNGLK-NSHDSACASA-N 1 0 298.339 1.685 20 5 CDBDRO CCc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000174231478 379399015 /nfs/dbraw/zinc/39/90/15/379399015.db2.gz CDUBOXQQCXHENF-CYBMUJFWSA-N 1 0 291.351 1.981 20 5 CDBDRO O=C(C[C@H]1CCC[NH2+]1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000042171186 379551601 /nfs/dbraw/zinc/55/16/01/379551601.db2.gz FTRGBDPGONFTLQ-GFCCVEGCSA-N 1 0 277.324 1.396 20 5 CDBDRO CCO[C@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000174872475 379595897 /nfs/dbraw/zinc/59/58/97/379595897.db2.gz MBDKXEFOGFJODJ-STQMWFEESA-N 1 0 296.371 1.927 20 5 CDBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000267326066 190321102 /nfs/dbraw/zinc/32/11/02/190321102.db2.gz ZSQBUVSKABCBIW-IUCAKERBSA-N 1 0 280.332 1.252 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC(=O)N1 ZINC000449294159 250785382 /nfs/dbraw/zinc/78/53/82/250785382.db2.gz XUIVBRZBTGQYSF-AAEUAGOBSA-N 1 0 291.351 1.784 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000449641160 250946649 /nfs/dbraw/zinc/94/66/49/250946649.db2.gz UNVUTCVYAOYSTI-IUCAKERBSA-N 1 0 283.353 1.904 20 5 CDBDRO O=C(NCC[N@H+]1CC=CCC1)Nc1ccncc1[N+](=O)[O-] ZINC000281019756 195071678 /nfs/dbraw/zinc/07/16/78/195071678.db2.gz MIRQJSASTJLZHD-UHFFFAOYSA-N 1 0 291.311 1.373 20 5 CDBDRO C[NH+](C)C1CN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492346550 253201405 /nfs/dbraw/zinc/20/14/05/253201405.db2.gz UFOOAJNFXQSYKA-XQRVVYSFSA-N 1 0 293.298 1.520 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493141648 253380858 /nfs/dbraw/zinc/38/08/58/253380858.db2.gz RWDFKIMDPKDRSK-LOJJWDKESA-N 1 0 281.287 1.599 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCCNC2)n1 ZINC000423189167 285169144 /nfs/dbraw/zinc/16/91/44/285169144.db2.gz MRLYJRRUBZJRKM-YNEHKIRRSA-N 1 0 293.371 1.617 20 5 CDBDRO C[C@@H]1CCSCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000286036703 390188806 /nfs/dbraw/zinc/18/88/06/390188806.db2.gz IBXYADWFBHHLLO-SNVBAGLBSA-N 1 0 270.358 1.619 20 5 CDBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000286090930 390192348 /nfs/dbraw/zinc/19/23/48/390192348.db2.gz KPPKJUYLDFHMOV-MNOVXSKESA-N 1 0 252.318 1.960 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000071309955 390484423 /nfs/dbraw/zinc/48/44/23/390484423.db2.gz MRTJSOGXXJCWGP-LLVKDONJSA-N 1 0 263.297 1.337 20 5 CDBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000071310194 390484949 /nfs/dbraw/zinc/48/49/49/390484949.db2.gz QLESYLRPNJYYKQ-LLVKDONJSA-N 1 0 264.285 1.420 20 5 CDBDRO CC[C@@H](C)[NH+]1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000450853863 390564014 /nfs/dbraw/zinc/56/40/14/390564014.db2.gz CKHIZJHTSKETRU-SNVBAGLBSA-N 1 0 281.360 1.557 20 5 CDBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000451506824 390628069 /nfs/dbraw/zinc/62/80/69/390628069.db2.gz WCMRWGFNMVDWRE-INTQDDNPSA-N 1 0 282.344 1.477 20 5 CDBDRO Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000361819202 390887112 /nfs/dbraw/zinc/88/71/12/390887112.db2.gz ZCEUWMGUXSMLEE-NSHDSACASA-N 1 0 292.339 1.976 20 5 CDBDRO CC[C@H](CO)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411777009 390968284 /nfs/dbraw/zinc/96/82/84/390968284.db2.gz ZAWUOXCMIZQAGF-GFCCVEGCSA-N 1 0 295.339 1.626 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C)C[NH+](C)C ZINC000291910177 391107066 /nfs/dbraw/zinc/10/70/66/391107066.db2.gz QSFVUGNSUSHHAN-SECBINFHSA-N 1 0 269.349 1.729 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000415507771 391165025 /nfs/dbraw/zinc/16/50/25/391165025.db2.gz UCFFFBBKMVSXLB-SECBINFHSA-N 1 0 294.311 1.477 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000268062228 391271887 /nfs/dbraw/zinc/27/18/87/391271887.db2.gz ZCVDSTCJSNKHTO-QWHCGFSZSA-N 1 0 293.367 1.795 20 5 CDBDRO CN(CC(C)(C)C[NH3+])C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000262576093 391281585 /nfs/dbraw/zinc/28/15/85/391281585.db2.gz JGTHZTSZOQPGIV-UHFFFAOYSA-N 1 0 295.339 1.417 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134230094 391346189 /nfs/dbraw/zinc/34/61/89/391346189.db2.gz DMPSXDZTMSLXSA-UHFFFAOYSA-N 1 0 283.303 1.804 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000382469338 391379886 /nfs/dbraw/zinc/37/98/86/391379886.db2.gz OUDMURQSZJZTJX-BDAKNGLRSA-N 1 0 281.287 1.591 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH3+])C1 ZINC000415483498 391466406 /nfs/dbraw/zinc/46/64/06/391466406.db2.gz MTVRFERQMLNZSB-JTQLQIEISA-N 1 0 278.312 1.777 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000415510533 391468471 /nfs/dbraw/zinc/46/84/71/391468471.db2.gz ZFMAVMYQWJSAAU-SNVBAGLBSA-N 1 0 278.312 1.729 20 5 CDBDRO C[C@]1(C[NH3+])CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415635645 391470403 /nfs/dbraw/zinc/47/04/03/391470403.db2.gz VKDOCOCUYJYPEE-CYBMUJFWSA-N 1 0 296.302 1.937 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000415770326 391471438 /nfs/dbraw/zinc/47/14/38/391471438.db2.gz YKCAUPSWDCGWKP-JTQLQIEISA-N 1 0 292.339 1.970 20 5 CDBDRO CNc1c(C(=O)NCC2([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000397754088 391633507 /nfs/dbraw/zinc/63/35/07/391633507.db2.gz FNVJRGRQSFVZSD-UHFFFAOYSA-N 1 0 292.339 1.461 20 5 CDBDRO Cc1cccc(C(=O)NC[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000049096794 391641230 /nfs/dbraw/zinc/64/12/30/391641230.db2.gz URVHNENSGXYQNZ-LLVKDONJSA-N 1 0 277.324 1.727 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341776843 130012185 /nfs/dbraw/zinc/01/21/85/130012185.db2.gz NLRFSHIRPOPCAO-SNVBAGLBSA-N 1 0 294.355 1.836 20 5 CDBDRO COc1ccc(CNCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000342117660 130274594 /nfs/dbraw/zinc/27/45/94/130274594.db2.gz ZBNFVRSILUVETQ-UHFFFAOYSA-N 1 0 265.313 1.574 20 5 CDBDRO C[C@H](NCC1([NH3+])CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000342131511 130291490 /nfs/dbraw/zinc/29/14/90/130291490.db2.gz IAKZMSAXUVMSGW-JTQLQIEISA-N 1 0 292.339 1.393 20 5 CDBDRO CC1(C)C[NH2+][C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000591674967 391981468 /nfs/dbraw/zinc/98/14/68/391981468.db2.gz FOLWGRXRSOUKII-GFCCVEGCSA-N 1 0 275.308 1.482 20 5 CDBDRO C[N@@H+]1CC[C@H]2CCN(c3ncc([N+](=O)[O-])s3)[C@H]2C1 ZINC000249297885 392787533 /nfs/dbraw/zinc/78/75/33/392787533.db2.gz RKPYPBKRCVOAKY-IUCAKERBSA-N 1 0 268.342 1.582 20 5 CDBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC1(C)C ZINC000419320066 392889202 /nfs/dbraw/zinc/88/92/02/392889202.db2.gz PJEHVUZHNQLMLA-UPJWGTAASA-N 1 0 296.371 1.567 20 5 CDBDRO C[C@@H]1[C@H](C)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC000419376929 392891470 /nfs/dbraw/zinc/89/14/70/392891470.db2.gz UKYVUVUVUXFDJJ-UTUOFQBUSA-N 1 0 279.340 1.733 20 5 CDBDRO C[NH2+]C[C@H](C)CNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000420187064 392901600 /nfs/dbraw/zinc/90/16/00/392901600.db2.gz DBMAJIKVSDUCBF-QMMMGPOBSA-N 1 0 282.300 1.044 20 5 CDBDRO C[NH2+]C[C@H](C)CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000420212959 392905494 /nfs/dbraw/zinc/90/54/94/392905494.db2.gz UPMQNPATRUQJMT-QMMMGPOBSA-N 1 0 252.318 1.874 20 5 CDBDRO CC[C@H]1C[N@H+](CC)CCN1c1c([N+](=O)[O-])ncn1C ZINC000521788063 392868434 /nfs/dbraw/zinc/86/84/34/392868434.db2.gz HWOWZGLGLVEHGH-JTQLQIEISA-N 1 0 267.333 1.249 20 5 CDBDRO CN(CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[N@@H+]1C ZINC000421000140 392924290 /nfs/dbraw/zinc/92/42/90/392924290.db2.gz JWEIZJHAISOVGA-AWEZNQCLSA-N 1 0 293.367 2.000 20 5 CDBDRO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)NC ZINC000114562566 392938005 /nfs/dbraw/zinc/93/80/05/392938005.db2.gz VGSZATMNTIQXQX-UHFFFAOYSA-N 1 0 279.340 1.595 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000423639824 392965660 /nfs/dbraw/zinc/96/56/60/392965660.db2.gz FYIFXVJIOTXQBI-BXKDBHETSA-N 1 0 293.323 1.555 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000423996749 392968457 /nfs/dbraw/zinc/96/84/57/392968457.db2.gz KQYXGQHCSMZZOT-ZJUUUORDSA-N 1 0 292.339 1.234 20 5 CDBDRO CC[C@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000425911303 393032129 /nfs/dbraw/zinc/03/21/29/393032129.db2.gz AKVFZNDZTDPTOE-ZDUSSCGKSA-N 1 0 250.298 1.942 20 5 CDBDRO CC[C@@]1(O)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000425924695 393032300 /nfs/dbraw/zinc/03/23/00/393032300.db2.gz VZAKYEIAQVTIQD-CQSZACIVSA-N 1 0 280.324 1.820 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C[NH+](C)C)C1 ZINC000430197879 393091606 /nfs/dbraw/zinc/09/16/06/393091606.db2.gz WRAZBUOGYCNJJU-LBPRGKRZSA-N 1 0 293.367 1.987 20 5 CDBDRO COC[C@@](C)(O)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000532500352 393075420 /nfs/dbraw/zinc/07/54/20/393075420.db2.gz PXLMXXWLMUCQKS-WFASDCNBSA-N 1 0 296.367 1.903 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)c1ncccc1[N+](=O)[O-] ZINC000274426453 393111406 /nfs/dbraw/zinc/11/14/06/393111406.db2.gz DEGVKFAHLREMQI-UHFFFAOYSA-N 1 0 250.302 1.520 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccncc2F)c1 ZINC000449196918 393131868 /nfs/dbraw/zinc/13/18/68/393131868.db2.gz UHNOURNUEQTEDB-UHFFFAOYSA-N 1 0 265.248 1.115 20 5 CDBDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000449463663 393134353 /nfs/dbraw/zinc/13/43/53/393134353.db2.gz XEGMXUJUEZSIFT-OCCSQVGLSA-N 1 0 280.324 1.736 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000449747759 393141502 /nfs/dbraw/zinc/14/15/02/393141502.db2.gz JYGLVWWMCLHLFK-GFCCVEGCSA-N 1 0 293.323 1.230 20 5 CDBDRO Cc1cccc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c1[N+](=O)[O-] ZINC000132028632 393211136 /nfs/dbraw/zinc/21/11/36/393211136.db2.gz JVXQSESDZOTNJB-GHMZBOCLSA-N 1 0 277.324 1.713 20 5 CDBDRO Cc1cc(N2CC[NH+](C[C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000275774872 135112242 /nfs/dbraw/zinc/11/22/42/135112242.db2.gz HKKAIXCBESUHSE-GFCCVEGCSA-N 1 0 279.340 1.406 20 5 CDBDRO COc1cccc(NC[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000135058101 139884973 /nfs/dbraw/zinc/88/49/73/139884973.db2.gz CNQUZZWBFXKYPA-VIFPVBQESA-N 1 0 251.286 1.625 20 5 CDBDRO C[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000194936969 140149948 /nfs/dbraw/zinc/14/99/48/140149948.db2.gz RZRSECXALNUZKY-UHFFFAOYSA-N 1 0 283.353 1.728 20 5 CDBDRO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c1 ZINC000228100343 140191006 /nfs/dbraw/zinc/19/10/06/140191006.db2.gz GCMFZXXKVSYUAM-IACUBPJLSA-N 1 0 262.309 1.798 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000229582394 140202754 /nfs/dbraw/zinc/20/27/54/140202754.db2.gz GIKWHSQYVFIDMX-GHMZBOCLSA-N 1 0 277.324 1.774 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)C(F)F)c(Cl)c1 ZINC000230144411 140208126 /nfs/dbraw/zinc/20/81/26/140208126.db2.gz POGLVGROBOVKCL-VIFPVBQESA-N 1 0 280.658 1.964 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000235353748 140234693 /nfs/dbraw/zinc/23/46/93/140234693.db2.gz MLBIBFZTNLPINP-KOLCDFICSA-N 1 0 263.297 1.322 20 5 CDBDRO [NH3+]C1(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000236165005 140239025 /nfs/dbraw/zinc/23/90/25/140239025.db2.gz VMFCDVDUKGAVPO-UHFFFAOYSA-N 1 0 264.285 1.598 20 5 CDBDRO COCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCO ZINC000255113624 140335099 /nfs/dbraw/zinc/33/50/99/140335099.db2.gz XLWWMXQKXUNVHQ-XQRVVYSFSA-N 1 0 280.324 1.549 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261589413 140358260 /nfs/dbraw/zinc/35/82/60/140358260.db2.gz KQWMOJDRMIHNHC-BXKDBHETSA-N 1 0 263.297 1.085 20 5 CDBDRO COc1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000261598891 140361175 /nfs/dbraw/zinc/36/11/75/140361175.db2.gz BAHGSBPVWGMSNH-CHWSQXEVSA-N 1 0 291.351 1.645 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000261685433 140375108 /nfs/dbraw/zinc/37/51/08/140375108.db2.gz KGXKSXANIODWIM-QWRGUYRKSA-N 1 0 290.323 1.668 20 5 CDBDRO C[C@@H]([NH3+])CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000261781843 140388632 /nfs/dbraw/zinc/38/86/32/140388632.db2.gz BKFDQNDYUBABCZ-SSDOTTSWSA-N 1 0 271.704 1.602 20 5 CDBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000361067510 397910738 /nfs/dbraw/zinc/91/07/38/397910738.db2.gz NSZXJZPRYKVGLL-JQWIXIFHSA-N 1 0 262.313 1.520 20 5 CDBDRO CCCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000352378565 155145727 /nfs/dbraw/zinc/14/57/27/155145727.db2.gz OJVBSISWUZFBKI-UHFFFAOYSA-N 1 0 268.317 1.385 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262597720 149080669 /nfs/dbraw/zinc/08/06/69/149080669.db2.gz ZJCOUFPKWOWXLZ-UHFFFAOYSA-N 1 0 295.339 1.660 20 5 CDBDRO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343438826 152176748 /nfs/dbraw/zinc/17/67/48/152176748.db2.gz LUJNEIAQJSNQOJ-ZWNOBZJWSA-N 1 0 277.324 1.807 20 5 CDBDRO C[C@]1(CCCO)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000345945597 153005034 /nfs/dbraw/zinc/00/50/34/153005034.db2.gz YMCJLAUALBVLQG-CYBMUJFWSA-N 1 0 282.344 1.418 20 5 CDBDRO [NH3+][C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000346095497 153051449 /nfs/dbraw/zinc/05/14/49/153051449.db2.gz QKOBRBQXEDBWDO-NSHDSACASA-N 1 0 265.313 1.397 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000346129547 153063175 /nfs/dbraw/zinc/06/31/75/153063175.db2.gz GEUJXCKRPOYPRA-SECBINFHSA-N 1 0 251.286 1.275 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2C2CCOCC2)n1 ZINC000348948221 154012266 /nfs/dbraw/zinc/01/22/66/154012266.db2.gz LUAPTHNBPREQHV-CYBMUJFWSA-N 1 0 294.355 1.682 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000358040091 157859604 /nfs/dbraw/zinc/85/96/04/157859604.db2.gz BNECENHJVSOYRZ-NJZAAPMLSA-N 1 0 294.351 1.951 20 5 CDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000359227135 158172368 /nfs/dbraw/zinc/17/23/68/158172368.db2.gz VDPRNCIXUOTXAP-CQSZACIVSA-N 1 0 291.351 1.738 20 5 CDBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000362861811 159255358 /nfs/dbraw/zinc/25/53/58/159255358.db2.gz GDPPLFZMJVMQOR-YPMHNXCESA-N 1 0 291.351 1.451 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2C2CC2)c1 ZINC000363572909 159329563 /nfs/dbraw/zinc/32/95/63/159329563.db2.gz KYDQDEYRUMJEGT-STQMWFEESA-N 1 0 280.328 1.027 20 5 CDBDRO Nc1c(C(=O)N[C@H]2CCC[NH2+]CC2)cc(F)cc1[N+](=O)[O-] ZINC000368723894 159703087 /nfs/dbraw/zinc/70/30/87/159703087.db2.gz GXIQXOULAKKFSQ-VIFPVBQESA-N 1 0 296.302 1.188 20 5 CDBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCCO1 ZINC000372352655 160110514 /nfs/dbraw/zinc/11/05/14/160110514.db2.gz ZOCBQNHQZGAEPN-UHFFFAOYSA-N 1 0 295.339 1.257 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]CC1 ZINC000035407363 172178455 /nfs/dbraw/zinc/17/84/55/172178455.db2.gz NDBPPCBRJMFFID-UHFFFAOYSA-N 1 0 250.258 1.032 20 5 CDBDRO CO[C@H](C)C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000285550163 196323180 /nfs/dbraw/zinc/32/31/80/196323180.db2.gz GJKMUONQOMTPNW-YPMHNXCESA-N 1 0 298.339 1.301 20 5 CDBDRO C[NH+](C)CCCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000037669495 173611327 /nfs/dbraw/zinc/61/13/27/173611327.db2.gz KPITXPSBBOBIDV-UHFFFAOYSA-N 1 0 269.276 1.415 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000040623848 174355951 /nfs/dbraw/zinc/35/59/51/174355951.db2.gz GDYCVCIDWSGHHD-SNVBAGLBSA-N 1 0 267.333 1.471 20 5 CDBDRO O=C1NCCCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040676156 174373781 /nfs/dbraw/zinc/37/37/81/174373781.db2.gz CSPSPJQBVIVDKL-ZDUSSCGKSA-N 1 0 277.324 1.396 20 5 CDBDRO O=C1NCCCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040676155 174373867 /nfs/dbraw/zinc/37/38/67/174373867.db2.gz CSPSPJQBVIVDKL-CYBMUJFWSA-N 1 0 277.324 1.396 20 5 CDBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC000040740497 174390489 /nfs/dbraw/zinc/39/04/89/174390489.db2.gz LFEWLJDZHSJWPV-ZACCUICWSA-N 1 0 275.308 1.608 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000070446734 175938407 /nfs/dbraw/zinc/93/84/07/175938407.db2.gz GOFGMMZRCJKGHH-LBPRGKRZSA-N 1 0 265.313 1.237 20 5 CDBDRO CCCN(c1ccc([N+](=O)[O-])nc1)[C@H]1CC[NH2+]C1 ZINC000071332759 176125848 /nfs/dbraw/zinc/12/58/48/176125848.db2.gz YHEGZWABOCCGEC-NSHDSACASA-N 1 0 250.302 1.568 20 5 CDBDRO CN1CC[C@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000712323032 686816627 /nfs/dbraw/zinc/81/66/27/686816627.db2.gz JDRJPIYXYRPEOZ-QMMMGPOBSA-N 1 0 283.715 1.682 20 5 CDBDRO C[C@@H]1CCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000281889996 287427768 /nfs/dbraw/zinc/42/77/68/287427768.db2.gz AVYFTZCJIDEGDF-PWSUYJOCSA-N 1 0 265.313 1.535 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417954146 227782849 /nfs/dbraw/zinc/78/28/49/227782849.db2.gz ZWGLYDYEJFZWTN-SNVBAGLBSA-N 1 0 280.328 1.031 20 5 CDBDRO CCNC(=O)C(C)(C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000313080920 260245110 /nfs/dbraw/zinc/24/51/10/260245110.db2.gz YNTQIOLAPGGHQQ-UHFFFAOYSA-N 1 0 295.339 1.478 20 5 CDBDRO Cc1nc(N2CC[NH2+]C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000212756404 274841653 /nfs/dbraw/zinc/84/16/53/274841653.db2.gz NNSIDVVXQBSSQY-UHFFFAOYSA-N 1 0 250.302 1.486 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423669910 274237417 /nfs/dbraw/zinc/23/74/17/274237417.db2.gz AEMCPYBJFHFAMG-RKDXNWHRSA-N 1 0 288.307 1.609 20 5 CDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)C[NH+]1CCCC1 ZINC000055538872 274490258 /nfs/dbraw/zinc/49/02/58/274490258.db2.gz LAUBITYXXXILCS-SNVBAGLBSA-N 1 0 281.312 1.650 20 5 CDBDRO Cc1nn(C)c(N2CC[C@@H]([NH+]3CC=CC3)C2)c1[N+](=O)[O-] ZINC000266227964 274867927 /nfs/dbraw/zinc/86/79/27/274867927.db2.gz IWBYBLNKZSCPHG-LLVKDONJSA-N 1 0 277.328 1.087 20 5 CDBDRO O=C([C@H]1CC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000150845509 275008933 /nfs/dbraw/zinc/00/89/33/275008933.db2.gz XBWRZMOPZBBXBX-JTQLQIEISA-N 1 0 261.281 1.093 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](C)[NH3+])c1 ZINC000449591234 278174829 /nfs/dbraw/zinc/17/48/29/278174829.db2.gz MEGOSOXSIOLTHJ-YUMQZZPRSA-N 1 0 283.353 1.782 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000277084869 278250219 /nfs/dbraw/zinc/25/02/19/278250219.db2.gz QTSCQIXEDZTAHV-ZETCQYMHSA-N 1 0 263.253 1.418 20 5 CDBDRO C[C@@H](C[C@@H]1COCCN1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000133889402 278294570 /nfs/dbraw/zinc/29/45/70/278294570.db2.gz JTDKSDUMBGFAJS-GXTWGEPZSA-N 1 0 293.367 1.494 20 5 CDBDRO C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2F)[C@H](C[NH3+])C1 ZINC000420256062 278559611 /nfs/dbraw/zinc/55/96/11/278559611.db2.gz GRTJOHLNASWCGG-BDAKNGLRSA-N 1 0 268.292 1.693 20 5 CDBDRO CC[N@H+](CCOCCO)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000282173419 279211027 /nfs/dbraw/zinc/21/10/27/279211027.db2.gz VFBJYNUSEXHRSS-LBPRGKRZSA-N 1 0 282.340 1.987 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000103829905 279294682 /nfs/dbraw/zinc/29/46/82/279294682.db2.gz FJQSOZNSNJVHFC-VIFPVBQESA-N 1 0 295.368 1.740 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000235343918 280126795 /nfs/dbraw/zinc/12/67/95/280126795.db2.gz MQCFHAMUHIJPNM-ZWXQHPBJSA-N 1 0 275.308 1.414 20 5 CDBDRO C[NH2+]C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000237087682 280156764 /nfs/dbraw/zinc/15/67/64/280156764.db2.gz MRSLQZZVMGHNOQ-VOTSOKGWSA-N 1 0 289.335 1.818 20 5 CDBDRO CC(C)[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000268492094 280171929 /nfs/dbraw/zinc/17/19/29/280171929.db2.gz MENHFMHGRZDOMJ-CQSZACIVSA-N 1 0 293.367 1.840 20 5 CDBDRO O=C([C@@H]1CC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000237950876 280194438 /nfs/dbraw/zinc/19/44/38/280194438.db2.gz AFMSAHJKSPVLKR-LLVKDONJSA-N 1 0 275.308 1.089 20 5 CDBDRO C[NH2+][C@H](C)Cc1noc(-c2cccc([N+](=O)[O-])c2N)n1 ZINC000261605768 280534068 /nfs/dbraw/zinc/53/40/68/280534068.db2.gz AAHZARPSZUGURW-SSDOTTSWSA-N 1 0 277.284 1.377 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000422686905 280745671 /nfs/dbraw/zinc/74/56/71/280745671.db2.gz BAMLRXGHCCRWBA-LLVKDONJSA-N 1 0 277.324 1.775 20 5 CDBDRO COc1ccc(CNC(=O)N(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000517537645 281002316 /nfs/dbraw/zinc/00/23/16/281002316.db2.gz AFTSOQBOOJPWMU-UHFFFAOYSA-N 1 0 296.327 1.094 20 5 CDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000522188814 281091771 /nfs/dbraw/zinc/09/17/71/281091771.db2.gz PAFHSBYGAHZYHJ-SNVBAGLBSA-N 1 0 280.328 1.100 20 5 CDBDRO C[NH+](C)C1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000345311604 289071367 /nfs/dbraw/zinc/07/13/67/289071367.db2.gz YLAFBOZSESWPTP-UHFFFAOYSA-N 1 0 288.307 1.462 20 5 CDBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N(C)C ZINC000447538336 289691221 /nfs/dbraw/zinc/69/12/21/289691221.db2.gz BDYVOEKMMHEUQY-UPJWGTAASA-N 1 0 295.387 1.815 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000168699574 289794134 /nfs/dbraw/zinc/79/41/34/289794134.db2.gz ORXZBMIFYXFFIT-IUCAKERBSA-N 1 0 281.287 1.543 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CC(N)=O ZINC000551679788 290012235 /nfs/dbraw/zinc/01/22/35/290012235.db2.gz CANFISBQHBNVEA-ZJUUUORDSA-N 1 0 265.313 1.818 20 5 CDBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000560380882 293029426 /nfs/dbraw/zinc/02/94/26/293029426.db2.gz XXKOMZBBZONSDW-NSHDSACASA-N 1 0 294.355 1.490 20 5 CDBDRO C[C@@H]1OCC[C@]1(O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567486433 293794015 /nfs/dbraw/zinc/79/40/15/293794015.db2.gz JPRVGFHMFHOPTH-ZBINZKHDSA-N 1 0 292.335 1.712 20 5 CDBDRO COc1ccc(CC(=O)N2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000567667747 293833550 /nfs/dbraw/zinc/83/35/50/293833550.db2.gz SJCYXLWCEFEDEJ-LLVKDONJSA-N 1 0 293.323 1.096 20 5 CDBDRO CCC[C@H](O)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567877863 293896982 /nfs/dbraw/zinc/89/69/82/293896982.db2.gz VFZMOIQIYMDADI-RYUDHWBXSA-N 1 0 298.339 1.085 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000569421202 294192050 /nfs/dbraw/zinc/19/20/50/294192050.db2.gz ASRVUZNEILRFFT-CYBMUJFWSA-N 1 0 293.367 2.000 20 5 CDBDRO C[N@@H+]1CC[C@]2(CCN(c3ncc([N+](=O)[O-])cc3F)C2)C1 ZINC000571144832 294376078 /nfs/dbraw/zinc/37/60/78/294376078.db2.gz AJDGMMFGNZWLJU-ZDUSSCGKSA-N 1 0 280.303 1.661 20 5 CDBDRO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000572974861 294729057 /nfs/dbraw/zinc/72/90/57/294729057.db2.gz BLWPBMMOJJKJPT-UHFFFAOYSA-N 1 0 296.371 1.953 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000149409978 295246665 /nfs/dbraw/zinc/24/66/65/295246665.db2.gz TVIXYPIGMOOSNT-VIFPVBQESA-N 1 0 270.720 1.961 20 5 CDBDRO C[C@H]([NH2+]CC(=O)N(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000180426133 316009588 /nfs/dbraw/zinc/00/95/88/316009588.db2.gz UHRXPCPVJABUNP-JTQLQIEISA-N 1 0 277.324 1.866 20 5 CDBDRO CC(C)[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000581763577 324831147 /nfs/dbraw/zinc/83/11/47/324831147.db2.gz QAIGSLCJXGEELX-CYBMUJFWSA-N 1 0 294.355 1.129 20 5 CDBDRO [NH3+]Cc1cccn1-c1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001167581753 1159134038 /nfs/dbraw/zinc/13/40/38/1159134038.db2.gz JJTXYOOANCSWCT-UHFFFAOYSA-N 1 0 257.253 1.721 20 5 CDBDRO Cc1[nH]c(=O)cc(O[C@H]2CCC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC001228686605 1160473189 /nfs/dbraw/zinc/47/31/89/1160473189.db2.gz PBIJPOJFXCLFDB-JTQLQIEISA-N 1 0 281.312 1.867 20 5 CDBDRO Cc1c(CNC(=O)NC2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000418086262 533856216 /nfs/dbraw/zinc/85/62/16/533856216.db2.gz ZOCWVVLZZMCLQZ-UHFFFAOYSA-N 1 0 292.339 1.454 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1-n1nncc1C[NH3+] ZINC001169311078 1162003599 /nfs/dbraw/zinc/00/35/99/1162003599.db2.gz AMDXVYAGQDHXQN-UHFFFAOYSA-N 1 0 291.311 1.730 20 5 CDBDRO CCC[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000069091904 521478544 /nfs/dbraw/zinc/47/85/44/521478544.db2.gz QTUCTTOKUYNLAS-UHFFFAOYSA-N 1 0 277.324 1.826 20 5 CDBDRO CCCN(c1ncc([N+](=O)[O-])s1)[C@H]1CC[NH2+]C1 ZINC000226780360 521697919 /nfs/dbraw/zinc/69/79/19/521697919.db2.gz UBNGJDZCKUPRGH-QMMMGPOBSA-N 1 0 256.331 1.630 20 5 CDBDRO CN(C)C(=O)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015675 523977945 /nfs/dbraw/zinc/97/79/45/523977945.db2.gz UBLVTPVAPTVPSY-UHFFFAOYSA-N 1 0 265.313 1.553 20 5 CDBDRO Cc1c(C(=O)NC(C)(C)C[NH3+])cccc1[N+](=O)[O-] ZINC000063020165 525600480 /nfs/dbraw/zinc/60/04/80/525600480.db2.gz GLODRMTTYQWZFZ-UHFFFAOYSA-N 1 0 251.286 1.370 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CCCCO3)CC2)n1 ZINC000365821905 527407654 /nfs/dbraw/zinc/40/76/54/527407654.db2.gz RPLPZVDJOUCEAR-ZDUSSCGKSA-N 1 0 294.355 1.997 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000422565229 535025367 /nfs/dbraw/zinc/02/53/67/535025367.db2.gz LJLSKFPJRYTMJB-UHFFFAOYSA-N 1 0 284.291 1.983 20 5 CDBDRO CC[NH2+]CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417141723 535472445 /nfs/dbraw/zinc/47/24/45/535472445.db2.gz RUTUMBICACQTNG-SNVBAGLBSA-N 1 0 280.328 1.565 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[C@H](C)[NH3+] ZINC000417192875 536953816 /nfs/dbraw/zinc/95/38/16/536953816.db2.gz LBTJRXZRTIVFRM-VIFPVBQESA-N 1 0 296.327 1.140 20 5 CDBDRO COc1cc(O[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000104237143 1174692718 /nfs/dbraw/zinc/69/27/18/1174692718.db2.gz AKEHSWKPZSJISC-SNVBAGLBSA-N 1 0 252.270 1.734 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](CCO)C3CC3)nc2c1 ZINC000769797858 575385515 /nfs/dbraw/zinc/38/55/15/575385515.db2.gz UJFYVRBZSOUMCP-NSHDSACASA-N 1 0 290.323 1.722 20 5 CDBDRO CN(CCCC[NH+](C)C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000740710840 576508308 /nfs/dbraw/zinc/50/83/08/576508308.db2.gz KOPLIWZUIDVGMF-UHFFFAOYSA-N 1 0 294.355 1.591 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](CCCO)C2CC2)c1 ZINC000750074568 576973602 /nfs/dbraw/zinc/97/36/02/576973602.db2.gz IHASMJBYMWUTJE-AWEZNQCLSA-N 1 0 280.324 1.475 20 5 CDBDRO O=[N+]([O-])c1c2nonc2ccc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000892000491 617399277 /nfs/dbraw/zinc/39/92/77/617399277.db2.gz QSMPYQKHXNJOLL-MRVPVSSYSA-N 1 0 289.295 1.780 20 5 CDBDRO Cc1ccc(CNC(=O)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000892016919 617411108 /nfs/dbraw/zinc/41/11/08/617411108.db2.gz NUHSVDWZPYDXEN-GFCCVEGCSA-N 1 0 292.339 1.454 20 5 CDBDRO O=[N+]([O-])CC[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000930565534 617442377 /nfs/dbraw/zinc/44/23/77/617442377.db2.gz YUSDKHGOVCKXKE-UHFFFAOYSA-N 1 0 264.325 1.289 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000891845953 617642485 /nfs/dbraw/zinc/64/24/85/617642485.db2.gz GYHDLVZRTCDRRA-UWVGGRQHSA-N 1 0 265.317 1.367 20 5 CDBDRO CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000892970713 618005010 /nfs/dbraw/zinc/00/50/10/618005010.db2.gz KBUOXSVFUPCWRQ-JTQLQIEISA-N 1 0 280.328 1.529 20 5 CDBDRO CN(CC[NH3+])Cc1c(Br)cccc1[N+](=O)[O-] ZINC000841100580 618682111 /nfs/dbraw/zinc/68/21/11/618682111.db2.gz ZSRWLRMKAZOEOP-UHFFFAOYSA-N 1 0 288.145 1.748 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1COCO1 ZINC000894870165 619111332 /nfs/dbraw/zinc/11/13/32/619111332.db2.gz IVRGPCUVPKBDNN-FHMRSRPSSA-N 1 0 264.281 1.571 20 5 CDBDRO Cc1cnc(N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC000895193023 619444752 /nfs/dbraw/zinc/44/47/52/619444752.db2.gz QPDXCPBUCXUMOJ-NWDGAFQWSA-N 1 0 276.340 1.971 20 5 CDBDRO COc1c(O)ccc(C[N@H+](C[C@@H](C)O)C2CC2)c1[N+](=O)[O-] ZINC000895231408 619467466 /nfs/dbraw/zinc/46/74/66/619467466.db2.gz ZQBLAYQJOKLUGH-SECBINFHSA-N 1 0 296.323 1.654 20 5 CDBDRO C[C@@H](Nc1sccc1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC000895246682 619491797 /nfs/dbraw/zinc/49/17/97/619491797.db2.gz PBKSSZDKBGQNOW-MWLCHTKSSA-N 1 0 284.385 1.703 20 5 CDBDRO CCO[C@@H]1CCC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000902882395 625569020 /nfs/dbraw/zinc/56/90/20/625569020.db2.gz RAHBNDCXHPXVAW-DGCLKSJQSA-N 1 0 282.344 1.729 20 5 CDBDRO O=C(c1ccc(C[NH2+]CC[N+](=O)[O-])cc1)N1CCCCC1 ZINC000899867596 622493587 /nfs/dbraw/zinc/49/35/87/622493587.db2.gz QROBZDVMBZPISQ-UHFFFAOYSA-N 1 0 291.351 1.679 20 5 CDBDRO Cc1cc(C)n(-c2ccc(CNCC[N+](=O)[O-])cn2)n1 ZINC000905051465 626387322 /nfs/dbraw/zinc/38/73/22/626387322.db2.gz CNTJVHCCBQBQPI-UHFFFAOYSA-N 1 0 275.312 1.250 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000905099216 626619472 /nfs/dbraw/zinc/61/94/72/626619472.db2.gz ZBRYIXOYSCBUQA-SNVBAGLBSA-N 1 0 271.267 1.410 20 5 CDBDRO CC[C@H](C[NH2+]CC[N+](=O)[O-])Oc1ccccc1F ZINC000905152949 626638028 /nfs/dbraw/zinc/63/80/28/626638028.db2.gz DRGJIZZAQIGXNP-SNVBAGLBSA-N 1 0 256.277 1.849 20 5 CDBDRO C[C@@H](C[NH2+]CC[N+](=O)[O-])Oc1ccccc1Cl ZINC000905135054 626649297 /nfs/dbraw/zinc/64/92/97/626649297.db2.gz IYMWNDODJYKGGS-VIFPVBQESA-N 1 0 258.705 1.974 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000905199485 626687426 /nfs/dbraw/zinc/68/74/26/626687426.db2.gz AVGHOLBFWLSFDP-SECBINFHSA-N 1 0 287.722 1.924 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1COC2(CCCCCC2)O1 ZINC000905201996 626689427 /nfs/dbraw/zinc/68/94/27/626689427.db2.gz KYFLIFIKHPUOSR-NSHDSACASA-N 1 0 258.318 1.319 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)c1ccccc1Br ZINC000905366755 626785712 /nfs/dbraw/zinc/78/57/12/626785712.db2.gz HYJSLISVEDTZOY-JTQLQIEISA-N 1 0 289.129 1.349 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000905415359 626804309 /nfs/dbraw/zinc/80/43/09/626804309.db2.gz GIXBBYMNBQGPIE-LLVKDONJSA-N 1 0 258.705 1.110 20 5 CDBDRO CN1CC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000905546237 626847678 /nfs/dbraw/zinc/84/76/78/626847678.db2.gz KOXGTVHCGONYQO-NSHDSACASA-N 1 0 292.339 1.217 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000908283267 628111106 /nfs/dbraw/zinc/11/11/06/628111106.db2.gz YFWIFZPPILGWJZ-SNVBAGLBSA-N 1 0 293.323 1.884 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000156379495 630552005 /nfs/dbraw/zinc/55/20/05/630552005.db2.gz RMXCZQXKPARLQV-MNOVXSKESA-N 1 0 279.344 1.450 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(N3C[C@@H]4C[NH2+]C[C@H]4C3)sc2c1 ZINC000731206516 631612457 /nfs/dbraw/zinc/61/24/57/631612457.db2.gz KKUXVEHRWLHXKS-IUCAKERBSA-N 1 0 290.348 1.860 20 5 CDBDRO O=[N+]([O-])c1cnn(CN2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000153458462 631639352 /nfs/dbraw/zinc/63/93/52/631639352.db2.gz IDMCRSLELKJHKL-ZDUSSCGKSA-N 1 0 293.371 1.699 20 5 CDBDRO CC[C@@H](C)C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000873194463 685275893 /nfs/dbraw/zinc/27/58/93/685275893.db2.gz YPJVDUWOCSPLGM-LERXQTSPSA-N 1 0 282.340 1.625 20 5 CDBDRO [NH3+]CCN(CCO)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000841058050 685303129 /nfs/dbraw/zinc/30/31/29/685303129.db2.gz FZNOERODZWBHLH-UHFFFAOYSA-N 1 0 273.720 1.001 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841232275 685443990 /nfs/dbraw/zinc/44/39/90/685443990.db2.gz CIWWNVLFGGWRBQ-ZCFIWIBFSA-N 1 0 272.692 1.717 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CO)(CO)CC1 ZINC000879969740 685467479 /nfs/dbraw/zinc/46/74/79/685467479.db2.gz PDBFSKXIDNGUMG-GFCCVEGCSA-N 1 0 294.351 1.723 20 5 CDBDRO C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000928246688 685467988 /nfs/dbraw/zinc/46/79/88/685467988.db2.gz KSKNIOXKMWRIBP-NXEZZACHSA-N 1 0 265.313 1.722 20 5 CDBDRO C[N@H+](CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000865002896 685601353 /nfs/dbraw/zinc/60/13/53/685601353.db2.gz BKOMGZLGBRKDCQ-UHFFFAOYSA-N 1 0 295.314 1.487 20 5 CDBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(CC[N+](=O)[O-])C1 ZINC000929800041 685924036 /nfs/dbraw/zinc/92/40/36/685924036.db2.gz BCXSSXNOOPBJRB-CQSZACIVSA-N 1 0 263.341 1.469 20 5 CDBDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886249926 684327055 /nfs/dbraw/zinc/32/70/55/684327055.db2.gz WFRVNWLTBSVWFI-GHMZBOCLSA-N 1 0 265.313 1.440 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H]2CC[NH2+]C2)c1C ZINC000884026518 684436653 /nfs/dbraw/zinc/43/66/53/684436653.db2.gz GDGNRUXRTLRFGF-LBPRGKRZSA-N 1 0 291.351 1.941 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823195477 684463511 /nfs/dbraw/zinc/46/35/11/684463511.db2.gz ZDMSICVBPVAVSP-UKRRQHHQSA-N 1 0 293.367 1.654 20 5 CDBDRO CC[NH+](CC)CCCOC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000800154611 684536761 /nfs/dbraw/zinc/53/67/61/684536761.db2.gz UAUAZURWWURVAN-UHFFFAOYSA-N 1 0 298.343 1.375 20 5 CDBDRO C[NH2+]CCN(C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841232724 684561850 /nfs/dbraw/zinc/56/18/50/684561850.db2.gz FMLGSHUBXVFDMO-UHFFFAOYSA-N 1 0 286.719 1.931 20 5 CDBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000036257422 684659965 /nfs/dbraw/zinc/65/99/65/684659965.db2.gz IIMCCYYPZCZVFX-SECBINFHSA-N 1 0 279.296 1.592 20 5 CDBDRO C[NH+](C)C[C@@]1(O)CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000713690020 684666299 /nfs/dbraw/zinc/66/62/99/684666299.db2.gz QOEKYAALZUADDK-ZDUSSCGKSA-N 1 0 299.758 1.751 20 5 CDBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882034360 684690298 /nfs/dbraw/zinc/69/02/98/684690298.db2.gz RNMRKXWHSWUSJM-JTQLQIEISA-N 1 0 282.319 1.907 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[NH2+]CC1 ZINC000700600027 684710110 /nfs/dbraw/zinc/71/01/10/684710110.db2.gz LJLHYTKAWQEXCJ-UHFFFAOYSA-N 1 0 283.715 1.684 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3(CO)CC3)CC2)cc1 ZINC000777710666 684811145 /nfs/dbraw/zinc/81/11/45/684811145.db2.gz YLPYDWORGXJYNB-UHFFFAOYSA-N 1 0 291.351 1.678 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[NH2+]C2)c1C ZINC000884017472 684834624 /nfs/dbraw/zinc/83/46/24/684834624.db2.gz XWVYLNCOLRRMFJ-LBPRGKRZSA-N 1 0 291.351 1.941 20 5 CDBDRO [NH3+][C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000706540208 684923580 /nfs/dbraw/zinc/92/35/80/684923580.db2.gz YWGABNQKLNAENM-SNVBAGLBSA-N 1 0 283.715 1.715 20 5 CDBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@@H]3CC3[N+](=O)[O-])ccc21 ZINC000839781871 684933162 /nfs/dbraw/zinc/93/31/62/684933162.db2.gz BNKBRSOEYXFRFG-MGPQQGTHSA-N 1 0 289.335 1.839 20 5 CDBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000785726462 685021837 /nfs/dbraw/zinc/02/18/37/685021837.db2.gz DEEAABLAVOMELS-QWRGUYRKSA-N 1 0 296.327 1.207 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2(CO)CCCC2)c1 ZINC000178872858 685086224 /nfs/dbraw/zinc/08/62/24/685086224.db2.gz ZWPHHWORHZJUIR-ZDUSSCGKSA-N 1 0 280.324 1.523 20 5 CDBDRO Cc1ccc(C(=O)NC2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000051692624 685170168 /nfs/dbraw/zinc/17/01/68/685170168.db2.gz FFFMFXRNZIDAHQ-UHFFFAOYSA-N 1 0 277.324 1.903 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1cccnc1[N+](=O)[O-] ZINC000886827555 685834175 /nfs/dbraw/zinc/83/41/75/685834175.db2.gz NHOBNOPIOMFEPR-CMPLNLGQSA-N 1 0 264.329 1.692 20 5 CDBDRO CC1(C)CC(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001031663103 685845948 /nfs/dbraw/zinc/84/59/48/685845948.db2.gz UEFIREVNBNUQRP-CHWSQXEVSA-N 1 0 295.383 1.136 20 5 CDBDRO Cc1c(C[NH2+]CCc2ccn(C)n2)cccc1[N+](=O)[O-] ZINC000227227462 685877158 /nfs/dbraw/zinc/87/71/58/685877158.db2.gz UHXDULMIHAZGQX-UHFFFAOYSA-N 1 0 274.324 1.969 20 5 CDBDRO CS[C@@H](C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819186688 685902138 /nfs/dbraw/zinc/90/21/38/685902138.db2.gz VKNPAZFDXUVEMZ-CABZTGNLSA-N 1 0 270.354 1.969 20 5 CDBDRO C[C@@H](N[C@@H]1CCC[NH2+]C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817942119 686045948 /nfs/dbraw/zinc/04/59/48/686045948.db2.gz WWKFZOHEYZNUTC-MWLCHTKSSA-N 1 0 264.329 1.580 20 5 CDBDRO C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C(N)=O)C1 ZINC000187404396 686186827 /nfs/dbraw/zinc/18/68/27/686186827.db2.gz QUWBARQIJYXUEM-RISCZKNCSA-N 1 0 291.351 1.723 20 5 CDBDRO C[N@H+](CCO)CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000884822959 686335652 /nfs/dbraw/zinc/33/56/52/686335652.db2.gz JLCFFJQCXHFKGQ-UHFFFAOYSA-N 1 0 273.720 1.584 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886636341 686457822 /nfs/dbraw/zinc/45/78/22/686457822.db2.gz LSZRSZJXZAAJIE-TZMCWYRMSA-N 1 0 294.355 1.337 20 5 CDBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000842614006 686520450 /nfs/dbraw/zinc/52/04/50/686520450.db2.gz FXFHKNHCKIFWGZ-NWDGAFQWSA-N 1 0 280.328 1.640 20 5 CDBDRO COCCOC[C@@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788669375 686531018 /nfs/dbraw/zinc/53/10/18/686531018.db2.gz ZLCDNMXDJRNAPD-GHMZBOCLSA-N 1 0 297.355 1.879 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCCC[C@H]2O)c1 ZINC000843074123 686643442 /nfs/dbraw/zinc/64/34/42/686643442.db2.gz WWCVVMPMSUICCU-NWANDNLSSA-N 1 0 294.351 1.769 20 5 CDBDRO CCC[C@H](CCO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000872217904 686801750 /nfs/dbraw/zinc/80/17/50/686801750.db2.gz GZRROYGLBQPWNL-TZMCWYRMSA-N 1 0 282.340 1.769 20 5 CDBDRO C[C@@H]([NH2+]C/C=C\CO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850506823 686833914 /nfs/dbraw/zinc/83/39/14/686833914.db2.gz CGQGHSMSZGSHGI-PKRMOACSSA-N 1 0 251.286 1.376 20 5 CDBDRO C[C@H]([NH2+]CCn1cccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788641667 686893040 /nfs/dbraw/zinc/89/30/40/686893040.db2.gz KJPSEXWJUIIBIU-JTQLQIEISA-N 1 0 275.312 1.724 20 5 CDBDRO O=[N+]([O-])c1ccccc1Cc1noc(C[C@H]2CCC[NH2+]2)n1 ZINC000843171202 686898569 /nfs/dbraw/zinc/89/85/69/686898569.db2.gz UUNDJHSNWWXEMI-LLVKDONJSA-N 1 0 288.307 1.863 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000886039843 687021808 /nfs/dbraw/zinc/02/18/08/687021808.db2.gz QKYRXCHUVXTPCX-QWHCGFSZSA-N 1 0 277.324 1.991 20 5 CDBDRO CCN(Cc1cccnc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000885972825 687033763 /nfs/dbraw/zinc/03/37/63/687033763.db2.gz LNESXJWJKHQCQH-GFCCVEGCSA-N 1 0 265.313 1.991 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc([C@@]3(F)CC[NH2+]C3)n2)s1 ZINC000843219179 687099457 /nfs/dbraw/zinc/09/94/57/687099457.db2.gz ZLEWIQKTKRUDOO-SNVBAGLBSA-N 1 0 284.272 1.864 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702658034 687125705 /nfs/dbraw/zinc/12/57/05/687125705.db2.gz FMWRIGUOZUZKRF-IONNQARKSA-N 1 0 283.715 1.810 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CC[C@H](O)C2)cc1 ZINC000300698777 687147174 /nfs/dbraw/zinc/14/71/74/687147174.db2.gz NQDGBXHDFTWEQM-DDTOSNHZSA-N 1 0 280.324 1.379 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]1(F)CC[NH2+]C1 ZINC000826867580 687150140 /nfs/dbraw/zinc/15/01/40/687150140.db2.gz NPKFHCBKIRAOJN-ZDUSSCGKSA-N 1 0 281.287 1.255 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](CF)C2)n1 ZINC000880235081 687151011 /nfs/dbraw/zinc/15/10/11/687151011.db2.gz YBQLVWRITDQNOT-SNVBAGLBSA-N 1 0 256.281 1.473 20 5 CDBDRO C[C@@H]([NH3+])CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000311069173 687221023 /nfs/dbraw/zinc/22/10/23/687221023.db2.gz YQYQWFQUHZEPQT-MRVPVSSYSA-N 1 0 252.274 1.406 20 5 CDBDRO C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000923360873 687367773 /nfs/dbraw/zinc/36/77/73/687367773.db2.gz FNXJDOPRPARPDH-JTNHKYCSSA-N 1 0 279.340 1.310 20 5 CDBDRO [NH3+][C@H]1C[C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000870971822 687383574 /nfs/dbraw/zinc/38/35/74/687383574.db2.gz VKQRSWDRPFTCKT-HAQNSBGRSA-N 1 0 277.324 1.381 20 5 CDBDRO CC[NH+](CC)C[C@@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000173431998 687545305 /nfs/dbraw/zinc/54/53/05/687545305.db2.gz DMHIPHUHUBLDFZ-LBPRGKRZSA-N 1 0 281.360 1.413 20 5 CDBDRO CN(Cc1cccnc1[N+](=O)[O-])C[C@H]1CCC[N@@H+]1C ZINC000886251348 687594027 /nfs/dbraw/zinc/59/40/27/687594027.db2.gz AQWBVDAUYBWNQL-GFCCVEGCSA-N 1 0 264.329 1.516 20 5 CDBDRO CC(C)(CC(N)=O)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000186257003 687652114 /nfs/dbraw/zinc/65/21/14/687652114.db2.gz XUSMZUXVYJJBJQ-UHFFFAOYSA-N 1 0 269.276 1.478 20 5 CDBDRO CCCNC(=[NH2+])NCCc1ccccc1[N+](=O)[O-] ZINC000849009878 687669050 /nfs/dbraw/zinc/66/90/50/687669050.db2.gz FYZSLGVMWRCKPZ-UHFFFAOYSA-N 1 0 250.302 1.661 20 5 CDBDRO Cc1c(C[NH2+]C[C@H]2C[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000720909803 687675185 /nfs/dbraw/zinc/67/51/85/687675185.db2.gz HDMDIPFEGBNGDI-KLPPZKSPSA-N 1 0 250.298 1.764 20 5 CDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000830135592 687817809 /nfs/dbraw/zinc/81/78/09/687817809.db2.gz PIRMYQCOLVWKAS-MGPQQGTHSA-N 1 0 289.335 1.519 20 5 CDBDRO Cc1c(NC(=O)CO[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000843359738 687867269 /nfs/dbraw/zinc/86/72/69/687867269.db2.gz XMDDGGXKWTVINN-NSHDSACASA-N 1 0 293.323 1.610 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCCOCC2)c1 ZINC000819211246 687882253 /nfs/dbraw/zinc/88/22/53/687882253.db2.gz XOMQXZBUIYZZSB-OCCSQVGLSA-N 1 0 280.324 1.787 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886839478 687926209 /nfs/dbraw/zinc/92/62/09/687926209.db2.gz FRDBNFMNNYKYIW-GHMZBOCLSA-N 1 0 250.302 1.349 20 5 CDBDRO CC(C)(CCc1noc([C@H]2C[C@H]([NH3+])C2)n1)[N+](=O)[O-] ZINC000854157069 688109912 /nfs/dbraw/zinc/10/99/12/688109912.db2.gz ABYXFJXFJIGCKS-ZKCHVHJHSA-N 1 0 254.290 1.262 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC001170298391 1162328741 /nfs/dbraw/zinc/32/87/41/1162328741.db2.gz KUIFEVOPWIVOQQ-PWSUYJOCSA-N 1 0 280.324 1.913 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)CF)c([N+](=O)[O-])c1 ZINC001170326392 1162337366 /nfs/dbraw/zinc/33/73/66/1162337366.db2.gz IRSQNHJDAJGOJF-KOLCDFICSA-N 1 0 286.303 1.454 20 5 CDBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170339459 1162346409 /nfs/dbraw/zinc/34/64/09/1162346409.db2.gz CGAZVPQIYJDPDB-NEPJUHHUSA-N 1 0 294.351 1.849 20 5 CDBDRO COc1cnc(N2CCC[C@@H]([NH3+])[C@H]2C)c([N+](=O)[O-])c1 ZINC001157740217 1162370355 /nfs/dbraw/zinc/37/03/55/1162370355.db2.gz FVOMZOGXMLDQHR-PSASIEDQSA-N 1 0 266.301 1.314 20 5 CDBDRO CCC1(Nc2ncc(OC)cc2[N+](=O)[O-])C[NH2+]C1 ZINC001157779221 1162416082 /nfs/dbraw/zinc/41/60/82/1162416082.db2.gz LQUZLNDUGUPJJE-UHFFFAOYSA-N 1 0 252.274 1.162 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@](F)(C[NH3+])C2)n1 ZINC001157812837 1162443844 /nfs/dbraw/zinc/44/38/44/1162443844.db2.gz JNEBGPVHAOXHSE-LLVKDONJSA-N 1 0 288.710 1.829 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001156038514 1161984194 /nfs/dbraw/zinc/98/41/94/1161984194.db2.gz VXDIUMWQZLHCMS-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO [NH3+][C@H]1CCc2nn(-c3ccc4ncc([N+](=O)[O-])n4c3)cc2C1 ZINC001168822518 1161989278 /nfs/dbraw/zinc/98/92/78/1161989278.db2.gz WREPIIGPMVJMMD-JTQLQIEISA-N 1 0 298.306 1.244 20 5 CDBDRO COC(=O)CC1CC(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169000718 1161996710 /nfs/dbraw/zinc/99/67/10/1161996710.db2.gz AKRRGPPIOGLOLT-XVSSEFHLSA-N 1 0 284.356 1.611 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cn(CC3CC3)cn2)C1 ZINC001168998625 1161997045 /nfs/dbraw/zinc/99/70/45/1161997045.db2.gz PBKYSCPGUINJBL-QWHCGFSZSA-N 1 0 278.356 1.828 20 5 CDBDRO [NH3+]Cc1ccc2nnn(-c3ncc([N+](=O)[O-])cc3F)c2c1 ZINC001159027131 1163985001 /nfs/dbraw/zinc/98/50/01/1163985001.db2.gz XUPHNIPLALRPRK-UHFFFAOYSA-N 1 0 288.242 1.322 20 5 CDBDRO O=[N+]([O-])c1cccc2c(N[C@@H]3C[NH2+]C[C@@H]3CO)ccnc21 ZINC001170778984 1164112422 /nfs/dbraw/zinc/11/24/22/1164112422.db2.gz BGGBQBBYLYJSNA-BXKDBHETSA-N 1 0 288.307 1.135 20 5 CDBDRO Cc1cnc(NCC[C@@H]2CCOC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001155471203 1167184744 /nfs/dbraw/zinc/18/47/44/1167184744.db2.gz PMARTDRWEIEBLC-LLVKDONJSA-N 1 0 292.339 1.479 20 5 CDBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CC[NH2+]CC1 ZINC001574441188 1170983873 /nfs/dbraw/zinc/98/38/73/1170983873.db2.gz OHAJVTNULFLKQT-UHFFFAOYSA-N 1 0 276.271 1.692 20 5 CDBDRO CN(C[C@@H]1CC[NH2+]1)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001578452756 1171918005 /nfs/dbraw/zinc/91/80/05/1171918005.db2.gz ILBMYIZUROONFO-FPMFFAJLSA-N 1 0 289.335 1.519 20 5 CDBDRO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC001578644694 1171969761 /nfs/dbraw/zinc/96/97/61/1171969761.db2.gz ILGJSAIAIBEIPL-ZWNOBZJWSA-N 1 0 295.339 1.367 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC001580377570 1172417842 /nfs/dbraw/zinc/41/78/42/1172417842.db2.gz GTBHAIRKGALEEO-WDEREUQCSA-N 1 0 268.244 1.767 20 5 CDBDRO [NH3+][C@H]1C[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC001580423252 1172429159 /nfs/dbraw/zinc/42/91/59/1172429159.db2.gz AKWVIOXZYZVDSM-DTORHVGOSA-N 1 0 274.280 1.296 20 5 CDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001580754767 1172531047 /nfs/dbraw/zinc/53/10/47/1172531047.db2.gz BGOMFNIOHWRYTE-MEBFFEOJSA-N 1 0 287.319 1.032 20 5 CDBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH2+][C@H]2C[C@H]21 ZINC001580810495 1172546158 /nfs/dbraw/zinc/54/61/58/1172546158.db2.gz XEXDDAQMGBCTSO-QWHCGFSZSA-N 1 0 286.291 1.262 20 5 CDBDRO O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N[C@H]1CC[NH2+]C1 ZINC001580875778 1172558347 /nfs/dbraw/zinc/55/83/47/1172558347.db2.gz QZANZYJDMDLRRA-VIFPVBQESA-N 1 0 292.726 1.992 20 5 CDBDRO CC[C@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122713464 1175245054 /nfs/dbraw/zinc/24/50/54/1175245054.db2.gz HFSSUBQSFVYZDP-RYUDHWBXSA-N 1 0 281.360 1.159 20 5 CDBDRO CC[C@](C)(O)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134757568 1175820356 /nfs/dbraw/zinc/82/03/56/1175820356.db2.gz CYNIAERLHBRFLL-STQMWFEESA-N 1 0 268.313 1.379 20 5 CDBDRO CC[NH+]1CCC(N(C)c2nc(Cl)ncc2[N+](=O)[O-])CC1 ZINC000234014889 1178212213 /nfs/dbraw/zinc/21/22/13/1178212213.db2.gz VRUVZAVDIRFLAQ-UHFFFAOYSA-N 1 0 299.762 1.959 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)C[C@H]1[NH3+] ZINC000235319722 1178235960 /nfs/dbraw/zinc/23/59/60/1178235960.db2.gz HNWRPCVICKMZEQ-RDDDGLTNSA-N 1 0 267.260 1.153 20 5 CDBDRO CCC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001752726536 1184901413 /nfs/dbraw/zinc/90/14/13/1184901413.db2.gz OZUNTRKXGZQFBA-WHFHHIGESA-N 1 0 295.383 1.635 20 5 CDBDRO C[N@@H+]1CCO[C@H]2CN(c3nccc(Cl)c3[N+](=O)[O-])C[C@H]21 ZINC001164667994 719372499 /nfs/dbraw/zinc/37/24/99/719372499.db2.gz MKTYNTONIGOSQD-ZJUUUORDSA-N 1 0 298.730 1.162 20 5 CDBDRO Cc1cnc(N2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000078658353 721885915 /nfs/dbraw/zinc/88/59/15/721885915.db2.gz FPEQQEKRPYHHGE-NSHDSACASA-N 1 0 264.329 1.829 20 5 CDBDRO C[C@@H](C[NH2+]CC[N+](=O)[O-])CN(C)C(=O)OC(C)(C)C ZINC001356100075 969331361 /nfs/dbraw/zinc/33/13/61/969331361.db2.gz PQYCEDHNNSMELZ-JTQLQIEISA-N 1 0 275.349 1.356 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H](CO)C1 ZINC001173215968 912296562 /nfs/dbraw/zinc/29/65/62/912296562.db2.gz GKSUTCZOLXIPKC-DRZSPHRISA-N 1 0 264.325 1.886 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)C1CC1 ZINC001173220815 912304792 /nfs/dbraw/zinc/30/47/92/912304792.db2.gz GYYMSYYRSHVVEW-IINYFYTJSA-N 1 0 264.325 1.886 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCNC1=O ZINC001173217449 912301571 /nfs/dbraw/zinc/30/15/71/912301571.db2.gz UXUXULJEGNBHOT-LLVKDONJSA-N 1 0 292.339 1.141 20 5 CDBDRO CC[C@H](CO)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217504 912302744 /nfs/dbraw/zinc/30/27/44/912302744.db2.gz VTUNCYFJZPVJOQ-ZYHUDNBSSA-N 1 0 252.314 1.886 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001173222167 912304400 /nfs/dbraw/zinc/30/44/00/912304400.db2.gz PRQYVKLUTJCPEM-UXIGCNINSA-N 1 0 294.351 1.201 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CNC(=O)C1 ZINC001173220069 912306421 /nfs/dbraw/zinc/30/64/21/912306421.db2.gz SSQRLKOOPPFTBD-GXSJLCMTSA-N 1 0 263.297 1.004 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC[C@H](O)C1 ZINC001173223364 912308975 /nfs/dbraw/zinc/30/89/75/912308975.db2.gz ZMHFIDZPOKGFJE-SMDDNHRTSA-N 1 0 280.324 1.219 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cnc(CC[NH3+])n1 ZINC001173212978 912336562 /nfs/dbraw/zinc/33/65/62/912336562.db2.gz DUNBFTZSMPYMAA-SNVBAGLBSA-N 1 0 275.312 1.491 20 5 CDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C)C1 ZINC001167278403 895029670 /nfs/dbraw/zinc/02/96/70/895029670.db2.gz IWYGRRHHDBBCHO-JTQLQIEISA-N 1 0 293.323 1.888 20 5 CDBDRO Cc1ncc(C[NH3+])c(=N)n1-c1cnc(Cl)cc1[N+](=O)[O-] ZINC001167672178 897515261 /nfs/dbraw/zinc/51/52/61/897515261.db2.gz HODAFVDPUVVLPL-UHFFFAOYSA-N 1 0 294.702 1.075 20 5 CDBDRO COC(=O)c1cc(NC(=N)SCC[NH3+])cc([N+](=O)[O-])c1 ZINC001167913227 897803036 /nfs/dbraw/zinc/80/30/36/897803036.db2.gz VUMJLLZBUCIKAD-UHFFFAOYSA-N 1 0 298.324 1.420 20 5 CDBDRO [NH3+]Cc1nn(-c2ccc([N+](=O)[O-])cn2)c2ccccc12 ZINC001167693212 898352402 /nfs/dbraw/zinc/35/24/02/898352402.db2.gz CKIBXLVYDYBLIQ-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO COc1c(F)cc(-n2ccc(CC[NH3+])n2)cc1[N+](=O)[O-] ZINC001167730764 899490607 /nfs/dbraw/zinc/49/06/07/899490607.db2.gz RJLWXJDVFXTJMY-UHFFFAOYSA-N 1 0 280.259 1.429 20 5 CDBDRO [NH3+]CCc1ccn(-c2ccnc3c2cccc3[N+](=O)[O-])n1 ZINC001167731787 899515563 /nfs/dbraw/zinc/51/55/63/899515563.db2.gz WKEMNRZLDZGWMP-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO Cc1cc(N[C@@]23CCC[C@@H]2[NH2+]CC3)ncc1[N+](=O)[O-] ZINC000711689718 904021015 /nfs/dbraw/zinc/02/10/15/904021015.db2.gz GBQRXXHITQMFOH-WCQYABFASA-N 1 0 262.313 1.995 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(F)c(F)cc1F ZINC001229218141 908036217 /nfs/dbraw/zinc/03/62/17/908036217.db2.gz NXGHFYNVUNNFNE-MRVPVSSYSA-N 1 0 292.277 1.467 20 5 CDBDRO CCc1cccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001126931837 909883855 /nfs/dbraw/zinc/88/38/55/909883855.db2.gz BCKDPCRJIPVCSU-ZIAGYGMSSA-N 1 0 291.351 1.120 20 5 CDBDRO C[C@H](OCC[N+](C)(C)C)C1CN(C(=O)OC(C)(C)C)C1 ZINC001224770548 910646367 /nfs/dbraw/zinc/64/63/67/910646367.db2.gz BIWQXINSWBWVTC-LBPRGKRZSA-N 1 0 287.424 1.965 20 5 CDBDRO [NH3+]CCCCCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000698121642 911202678 /nfs/dbraw/zinc/20/26/78/911202678.db2.gz YZATZSCUEAVBEV-UHFFFAOYSA-N 1 0 283.303 1.983 20 5 CDBDRO CCNC(=O)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900616 912037524 /nfs/dbraw/zinc/03/75/24/912037524.db2.gz WSELBSFFZAEWKR-ZDUSSCGKSA-N 1 0 291.351 1.568 20 5 CDBDRO O=C(/C=C\C1CC1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001125236694 936357887 /nfs/dbraw/zinc/35/78/87/936357887.db2.gz JXUDJINZVXFYQL-FPLPWBNLSA-N 1 0 289.335 1.767 20 5 CDBDRO CCOCCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001124696535 917575093 /nfs/dbraw/zinc/57/50/93/917575093.db2.gz NKDABQMZNMLYFX-UHFFFAOYSA-N 1 0 295.339 1.227 20 5 CDBDRO CC1(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001127845893 918753011 /nfs/dbraw/zinc/75/30/11/918753011.db2.gz RMBXMKLUOYGKOH-UHFFFAOYSA-N 1 0 283.353 1.662 20 5 CDBDRO CCOc1cnc(NC2(CC)C[NH2+]C2)c([N+](=O)[O-])c1 ZINC001168581160 919277568 /nfs/dbraw/zinc/27/75/68/919277568.db2.gz TWZADSLCWXCQPS-UHFFFAOYSA-N 1 0 266.301 1.552 20 5 CDBDRO C[NH2+]C1CN(c2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001163701302 924073164 /nfs/dbraw/zinc/07/31/64/924073164.db2.gz HXRKNJQZZWIUIS-UHFFFAOYSA-N 1 0 258.281 1.551 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H](C)C[NH+](C)C ZINC001163776822 924202475 /nfs/dbraw/zinc/20/24/75/924202475.db2.gz MGNYDNHRRREXFO-VIFPVBQESA-N 1 0 281.312 1.743 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1-n1nc(C[NH3+])cc1C ZINC001163985371 924453790 /nfs/dbraw/zinc/45/37/90/924453790.db2.gz NXBUDPXCYTWXLS-UHFFFAOYSA-N 1 0 290.279 1.334 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001164061813 924540928 /nfs/dbraw/zinc/54/09/28/924540928.db2.gz HMAHMLCDGZGRNS-ONGXEEELSA-N 1 0 264.329 1.862 20 5 CDBDRO O=[N+]([O-])c1cc(NC[C@@H]2C[C@H](F)C[NH2+]2)nc2[nH]ccc21 ZINC001155038731 926435897 /nfs/dbraw/zinc/43/58/97/926435897.db2.gz WJNIMUZUFLJDHZ-YUMQZZPRSA-N 1 0 279.275 1.583 20 5 CDBDRO COc1cnc(-n2cnc3ccc(C[NH3+])cc32)cc1[N+](=O)[O-] ZINC001168840410 927485645 /nfs/dbraw/zinc/48/56/45/927485645.db2.gz DBLWAXXRRFBZEH-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2cccnc2)C1 ZINC001168979162 927565703 /nfs/dbraw/zinc/56/57/03/927565703.db2.gz WQYJHAVSGLDDBH-KGYLQXTDSA-N 1 0 265.313 1.150 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CCC(CCO)CC2)C1 ZINC001168984969 927572504 /nfs/dbraw/zinc/57/25/04/927572504.db2.gz BXSXXWXPLXMVMT-HHTDUIENSA-N 1 0 270.373 1.963 20 5 CDBDRO COC(=O)c1cncc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168985435 927574500 /nfs/dbraw/zinc/57/45/00/927574500.db2.gz FGCBCOHXVFYXEH-GWCFXTLKSA-N 1 0 293.323 1.403 20 5 CDBDRO O=C1CCCCN1CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168959157 927580210 /nfs/dbraw/zinc/58/02/10/927580210.db2.gz UHDYXDAUHQEWSX-NWDGAFQWSA-N 1 0 269.345 1.034 20 5 CDBDRO O=C1CCCN1CCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168958276 927580603 /nfs/dbraw/zinc/58/06/03/927580603.db2.gz MFNYEGQFSIFHGA-NWDGAFQWSA-N 1 0 269.345 1.034 20 5 CDBDRO O=C(CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)NC1CCCC1 ZINC001168965623 927588864 /nfs/dbraw/zinc/58/88/64/927588864.db2.gz BDVZWVRBLIKIMS-WCQYABFASA-N 1 0 283.372 1.470 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc(O)c2)C1 ZINC001168965943 927588975 /nfs/dbraw/zinc/58/89/75/927588975.db2.gz DTDXSWCZBYKNSX-RYUDHWBXSA-N 1 0 250.298 1.927 20 5 CDBDRO O=C(CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)NCc1ccco1 ZINC001168968357 927591236 /nfs/dbraw/zinc/59/12/36/927591236.db2.gz XZGSXQKBDJUFDS-NEPJUHHUSA-N 1 0 295.339 1.321 20 5 CDBDRO NC(=O)c1ccccc1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968501 927592433 /nfs/dbraw/zinc/59/24/33/927592433.db2.gz ZRDFUPCHYOQNKG-PWSUYJOCSA-N 1 0 277.324 1.321 20 5 CDBDRO COC(=O)[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168975859 927598606 /nfs/dbraw/zinc/59/86/06/927598606.db2.gz XQFACRJUQZHXQW-FDYHWXHSSA-N 1 0 284.356 1.753 20 5 CDBDRO CN(C)C(=O)C1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1 ZINC001169002289 927605626 /nfs/dbraw/zinc/60/56/26/927605626.db2.gz KFCCHEGWMLVTMN-GHMZBOCLSA-N 1 0 269.345 1.032 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cnc(Cl)cn2)C1 ZINC001169001926 927606089 /nfs/dbraw/zinc/60/60/89/927606089.db2.gz IQHGSCNGOAGPDR-BDAKNGLRSA-N 1 0 270.720 1.665 20 5 CDBDRO COC(=O)C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169011574 927616491 /nfs/dbraw/zinc/61/64/91/927616491.db2.gz LBIYHRIMPCTXKB-ZYHUDNBSSA-N 1 0 270.329 1.317 20 5 CDBDRO O=C1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@@H]1F ZINC001169010622 927617449 /nfs/dbraw/zinc/61/74/49/927617449.db2.gz FGAVZWUVQFTFMX-AXFHLTTASA-N 1 0 258.293 1.435 20 5 CDBDRO CC1(C)C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@](C)(CO)C1 ZINC001169014013 927619133 /nfs/dbraw/zinc/61/91/33/927619133.db2.gz XTAGSYIFPIRGCC-YRGRVCCFSA-N 1 0 270.373 1.915 20 5 CDBDRO CC[N@H+](CCCC(=O)OC)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169013369 927620519 /nfs/dbraw/zinc/62/05/19/927620519.db2.gz UJTCDPMGEDUEHY-VXGBXAGGSA-N 1 0 272.345 1.707 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](Oc3ccccn3)C2)C1 ZINC001169042472 927657892 /nfs/dbraw/zinc/65/78/92/927657892.db2.gz DUWWLIUQYUNSBW-MCIONIFRSA-N 1 0 291.351 1.980 20 5 CDBDRO CCOC(=O)NC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169057505 927674659 /nfs/dbraw/zinc/67/46/59/927674659.db2.gz WDLPZLJMJFPTSP-DGCLKSJQSA-N 1 0 299.371 1.642 20 5 CDBDRO C[C@@H]([NH3+])c1ccn(-c2ncnc3[nH]cc([N+](=O)[O-])c32)n1 ZINC001169230859 927838962 /nfs/dbraw/zinc/83/89/62/927838962.db2.gz WTHUJDJSJGMKBF-ZCFIWIBFSA-N 1 0 273.256 1.072 20 5 CDBDRO C[C@H](Nc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000695904519 937270024 /nfs/dbraw/zinc/27/00/24/937270024.db2.gz KJTPAMBUNRLHGD-SMDDNHRTSA-N 1 0 278.356 1.641 20 5 CDBDRO COc1ccc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000132007876 930218211 /nfs/dbraw/zinc/21/82/11/930218211.db2.gz XYLPCVHJLOHAIJ-NXEZZACHSA-N 1 0 293.323 1.413 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401222262 937445481 /nfs/dbraw/zinc/44/54/81/937445481.db2.gz VGQXUVRUWPEMFJ-RKDXNWHRSA-N 1 0 254.265 1.811 20 5 CDBDRO CC(C)([NH3+])CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118200078 937602032 /nfs/dbraw/zinc/60/20/32/937602032.db2.gz XVGBSMGFXGRQJP-UHFFFAOYSA-N 1 0 263.297 1.564 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCC[NH2+]1 ZINC001171328168 932682273 /nfs/dbraw/zinc/68/22/73/932682273.db2.gz MGUKUNSFUQBQCF-VIFPVBQESA-N 1 0 265.317 1.586 20 5 CDBDRO Nc1cc(NC[C@@]2(F)CCCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001155116682 937637092 /nfs/dbraw/zinc/63/70/92/937637092.db2.gz LPZGDENECFYRPA-GFCCVEGCSA-N 1 0 283.307 1.466 20 5 CDBDRO COCCCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001124088636 936282021 /nfs/dbraw/zinc/28/20/21/936282021.db2.gz IIGUVWBQZODDKH-UHFFFAOYSA-N 1 0 295.339 1.227 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CCCC[N@@H+]1C ZINC001120971490 937850872 /nfs/dbraw/zinc/85/08/72/937850872.db2.gz AIGYAKVWTFQPQB-SECBINFHSA-N 1 0 253.306 1.225 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001121991810 937897289 /nfs/dbraw/zinc/89/72/89/937897289.db2.gz AXQQMWCFJHEVNQ-UONOGXRCSA-N 1 0 291.351 1.766 20 5 CDBDRO CC(C)([NH3+])CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001122207415 937912989 /nfs/dbraw/zinc/91/29/89/937912989.db2.gz GZSXXERUEOUVKU-CHWSQXEVSA-N 1 0 291.351 1.942 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001122297680 937919346 /nfs/dbraw/zinc/91/93/46/937919346.db2.gz BNXXIAMOQPJAPQ-LDYMZIIASA-N 1 0 295.364 1.736 20 5 CDBDRO CN(c1cc(N)c([N+](=O)[O-])cn1)[C@@]1(C)CCC[NH2+]C1 ZINC001156967813 938439990 /nfs/dbraw/zinc/43/99/90/938439990.db2.gz IOOAMBZFFVIWNE-LBPRGKRZSA-N 1 0 265.317 1.150 20 5 CDBDRO COc1cc(N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001157266649 938472528 /nfs/dbraw/zinc/47/25/28/938472528.db2.gz VRSGURSMRGHPQM-ZYHUDNBSSA-N 1 0 292.339 1.529 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2CCCC[C@]23CCC[NH2+]C3)n1 ZINC001157472130 938498311 /nfs/dbraw/zinc/49/83/11/938498311.db2.gz SLTALCOHRFDKMF-CQSZACIVSA-N 1 0 291.355 1.806 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]([NH3+])[C@H]2C)n1 ZINC001157739634 938538429 /nfs/dbraw/zinc/53/84/29/938538429.db2.gz DGHCJEPZCSARGG-MNOVXSKESA-N 1 0 264.329 1.923 20 5 CDBDRO C[C@@H]1[C@@H]([NH3+])CCCN1c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001157740297 938538636 /nfs/dbraw/zinc/53/86/36/938538636.db2.gz HBEJZFPFOSPERM-BDAKNGLRSA-N 1 0 275.312 1.787 20 5 CDBDRO CC(C)N(c1ncc([N+](=O)[O-])cc1N)[C@H]1CC[NH2+]C1 ZINC001158032814 938577200 /nfs/dbraw/zinc/57/72/00/938577200.db2.gz MJMNGLDXYDAFFR-VIFPVBQESA-N 1 0 265.317 1.149 20 5 CDBDRO [NH3+]CCc1cnn(-c2cc([N+](=O)[O-])cc(Cl)n2)c1 ZINC001158096113 938582722 /nfs/dbraw/zinc/58/27/22/938582722.db2.gz IHMNNNPBILCIKB-UHFFFAOYSA-N 1 0 267.676 1.330 20 5 CDBDRO [NH3+]CCc1cnn(-c2nc3ccccc3cc2[N+](=O)[O-])c1 ZINC001158100470 938582935 /nfs/dbraw/zinc/58/29/35/938582935.db2.gz JVGXDUBEAATFDW-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[N@@H+]2CC[C@H]2C1 ZINC001158423538 938621578 /nfs/dbraw/zinc/62/15/78/938621578.db2.gz KZTANPUXMSIOSV-VIFPVBQESA-N 1 0 252.249 1.023 20 5 CDBDRO CC(C)[N@@H+]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC001158495371 938630052 /nfs/dbraw/zinc/63/00/52/938630052.db2.gz NNGMFNMHGZPROD-JTQLQIEISA-N 1 0 279.344 1.491 20 5 CDBDRO Nc1cc(NCC[C@H]2CCC[NH2+]2)ncc1[N+](=O)[O-] ZINC001158627054 938643737 /nfs/dbraw/zinc/64/37/37/938643737.db2.gz COIIBUJUOUHYCG-MRVPVSSYSA-N 1 0 251.290 1.126 20 5 CDBDRO Nc1nc(Nc2ccc(C[NH3+])nc2)ccc1[N+](=O)[O-] ZINC001160402339 938784784 /nfs/dbraw/zinc/78/47/84/938784784.db2.gz PNVKSXRSEPEHRD-UHFFFAOYSA-N 1 0 260.257 1.169 20 5 CDBDRO COc1nc(-n2c(C[NH3+])cc3ccncc32)ccc1[N+](=O)[O-] ZINC001160959632 938850353 /nfs/dbraw/zinc/85/03/53/938850353.db2.gz QQTFLHRUTVTALC-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO O=[N+]([O-])c1c(NCCC(F)(F)F)ncnc1C1C[NH2+]C1 ZINC001161824094 938934233 /nfs/dbraw/zinc/93/42/33/938934233.db2.gz GBYGBXWLIROSNV-UHFFFAOYSA-N 1 0 291.233 1.436 20 5 CDBDRO COc1cnc(N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001162391841 939043142 /nfs/dbraw/zinc/04/31/42/939043142.db2.gz CSOQEJNCFRBINA-DTWKUNHWSA-N 1 0 266.301 1.680 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001162396758 939044570 /nfs/dbraw/zinc/04/45/70/939044570.db2.gz NLHYYANFXVJEOM-BDAKNGLRSA-N 1 0 266.301 1.680 20 5 CDBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC001162456687 939059284 /nfs/dbraw/zinc/05/92/84/939059284.db2.gz YMNMERCSRUUNCJ-VHSXEESVSA-N 1 0 265.317 1.432 20 5 CDBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001162457830 939059762 /nfs/dbraw/zinc/05/97/62/939059762.db2.gz ROMYHLDUQNYABI-MNOVXSKESA-N 1 0 280.328 1.276 20 5 CDBDRO Cc1cnc(NC[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC001162478060 939064442 /nfs/dbraw/zinc/06/44/42/939064442.db2.gz STMCAPBVUWIWBM-IUCAKERBSA-N 1 0 254.265 1.410 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ccnc1N[C@@H]1C=C[C@H]2C[NH2+]C[C@H]21 ZINC001162789324 939139369 /nfs/dbraw/zinc/13/93/69/939139369.db2.gz CIIBNBNWXBROSQ-QXFUBDJGSA-N 1 0 280.715 1.829 20 5 CDBDRO Cc1nc(Cl)nc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)c1[N+](=O)[O-] ZINC001162789647 939139994 /nfs/dbraw/zinc/13/99/94/939139994.db2.gz JMZPTTJXZRBZCC-XHNCKOQMSA-N 1 0 295.730 1.533 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)n1 ZINC001162791641 939141039 /nfs/dbraw/zinc/14/10/39/939141039.db2.gz CWRITEYNTMUPMK-SZEHBUNVSA-N 1 0 280.715 1.829 20 5 CDBDRO [NH3+][C@H]1COC[C@H]1Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001162913600 939159853 /nfs/dbraw/zinc/15/98/53/939159853.db2.gz JSPYLEHSVFYKTH-WDEREUQCSA-N 1 0 274.280 1.281 20 5 CDBDRO [NH3+][C@H]1COC[C@H]1Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001162920746 939161361 /nfs/dbraw/zinc/16/13/61/939161361.db2.gz ASUDEFLQAFVCPF-VHSXEESVSA-N 1 0 291.229 1.752 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001162978356 939167859 /nfs/dbraw/zinc/16/78/59/939167859.db2.gz WLMQXBHYPRMLLW-WCQYABFASA-N 1 0 278.312 1.695 20 5 CDBDRO [NH3+]C[C@@H](CO)c1ccc(Nc2cc([N+](=O)[O-])ccn2)cc1 ZINC001163051438 939185874 /nfs/dbraw/zinc/18/58/74/939185874.db2.gz XYHJPCWBDFTLKH-NSHDSACASA-N 1 0 288.307 1.768 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](Nc2cc([N+](=O)[O-])cc[n+]2[O-])[C@@H](C)C1 ZINC001163357879 939256741 /nfs/dbraw/zinc/25/67/41/939256741.db2.gz NDRYZCAXBOFRTA-AAEUAGOBSA-N 1 0 294.355 1.759 20 5 CDBDRO CN(CC[NH3+])c1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001163686836 939307782 /nfs/dbraw/zinc/30/77/82/939307782.db2.gz IMWORWYGGONQFO-UHFFFAOYSA-N 1 0 265.100 1.692 20 5 CDBDRO C[NH2+]CCN(C)c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001163722652 939314981 /nfs/dbraw/zinc/31/49/81/939314981.db2.gz VQMUQPRKMRPTPT-FNORWQNLSA-N 1 0 279.344 1.178 20 5 CDBDRO C[C@@]1(C[NH3+])CCCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001164246490 939441217 /nfs/dbraw/zinc/44/12/17/939441217.db2.gz APXBANTYVMSDRG-CYBMUJFWSA-N 1 0 279.344 1.527 20 5 CDBDRO [NH3+][C@@H]1CCN(c2nc3cc([N+](=O)[O-])ccc3nc2Cl)C1 ZINC001164280091 939445297 /nfs/dbraw/zinc/44/52/97/939445297.db2.gz XKXNQTWWFYGRPU-SSDOTTSWSA-N 1 0 293.714 1.729 20 5 CDBDRO [NH3+][C@H]1CCN(c2ccc3cc(F)cc([N+](=O)[O-])c3n2)C1 ZINC001164281268 939445601 /nfs/dbraw/zinc/44/56/01/939445601.db2.gz WWSLQJVFYOMQGO-JTQLQIEISA-N 1 0 276.271 1.820 20 5 CDBDRO Cc1ccnc(N2CCC[C@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC001165072831 939506768 /nfs/dbraw/zinc/50/67/68/939506768.db2.gz OPPSOTJEYRTKPK-NSHDSACASA-N 1 0 264.329 1.829 20 5 CDBDRO O=[N+]([O-])c1cnc(-n2ncc3c2CC[NH2+]C3)c(Cl)c1 ZINC001165218015 939526091 /nfs/dbraw/zinc/52/60/91/939526091.db2.gz FKHBZEOMKZXBKM-UHFFFAOYSA-N 1 0 279.687 1.475 20 5 CDBDRO Cc1ccnc(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)c1[N+](=O)[O-] ZINC001165434524 939564740 /nfs/dbraw/zinc/56/47/40/939564740.db2.gz ZOUBXKDTXFDSLO-QWRGUYRKSA-N 1 0 294.330 1.811 20 5 CDBDRO [NH3+]CCc1nccn1-c1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001166351751 939604996 /nfs/dbraw/zinc/60/49/96/939604996.db2.gz QWMLAIMLCXJSDF-UHFFFAOYSA-N 1 0 271.280 1.763 20 5 CDBDRO [NH3+][C@@H]1CN(c2ncnc3cc([N+](=O)[O-])ccc32)C[C@@H]1F ZINC001166928688 939651150 /nfs/dbraw/zinc/65/11/50/939651150.db2.gz LBRGTVDAXFETDQ-VHSXEESVSA-N 1 0 277.259 1.023 20 5 CDBDRO Cc1ccc(-c2ccc(N(C)C3C[NH2+]C3)nn2)cc1[N+](=O)[O-] ZINC001166978593 939665949 /nfs/dbraw/zinc/66/59/49/939665949.db2.gz UKRNJSNDZPVUPF-UHFFFAOYSA-N 1 0 299.334 1.768 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCc1ccc2nonc2c1 ZINC001209874584 940648693 /nfs/dbraw/zinc/64/86/93/940648693.db2.gz ATFPLHAEPTYKBA-SNVBAGLBSA-N 1 0 250.322 1.834 20 5 CDBDRO Nc1ccc(O[C@@H]2C[NH2+]CCC[C@@H]2F)cc1[N+](=O)[O-] ZINC001217986106 941033663 /nfs/dbraw/zinc/03/36/63/941033663.db2.gz SMLKMSXNQKPGEB-JOYOIKCWSA-N 1 0 269.276 1.646 20 5 CDBDRO COC(=O)Cc1ccc(O[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218177800 941042470 /nfs/dbraw/zinc/04/24/70/941042470.db2.gz TXDAXGGSGRTTIA-JTQLQIEISA-N 1 0 280.280 1.051 20 5 CDBDRO CCOC(=O)c1csc(CO[C@H](C)C[N+](C)(C)C)n1 ZINC001223944347 941708134 /nfs/dbraw/zinc/70/81/34/941708134.db2.gz OPOPNYIPCXRWPF-SNVBAGLBSA-N 1 0 287.405 1.931 20 5 CDBDRO C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC001226166770 941961502 /nfs/dbraw/zinc/96/15/02/941961502.db2.gz XLBHIPQHCAZWOF-UHFFFAOYSA-N 1 0 279.296 1.167 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2ncsc2c1 ZINC001226638485 942039436 /nfs/dbraw/zinc/03/94/36/942039436.db2.gz XEVMPSIVPVOLLU-SNVBAGLBSA-N 1 0 295.384 1.659 20 5 CDBDRO COc1cc2ncnc(O[C@H](C)C[N+](C)(C)C)c2cc1O ZINC001227014072 942116274 /nfs/dbraw/zinc/11/62/74/942116274.db2.gz UZGIXJNTEXVCIP-SNVBAGLBSA-O 1 0 292.359 1.818 20 5 CDBDRO C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001227463318 942179062 /nfs/dbraw/zinc/17/90/62/942179062.db2.gz OQVFCKOHQXOKNW-UHFFFAOYSA-N 1 0 281.268 1.976 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(c1)C(=O)CO2 ZINC001233680766 943639573 /nfs/dbraw/zinc/63/95/73/943639573.db2.gz NODJUWJYWGHCQF-JTQLQIEISA-N 1 0 250.318 1.735 20 5 CDBDRO Cc1ncc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1Cl ZINC001233933904 943693577 /nfs/dbraw/zinc/69/35/77/943693577.db2.gz FLIRDZKHKPONHK-SNVBAGLBSA-N 1 0 287.767 1.406 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(c1)CCN(C)C2=O ZINC001234612222 943915493 /nfs/dbraw/zinc/91/54/93/943915493.db2.gz LCJOSZBSCYJJCK-GFCCVEGCSA-N 1 0 277.388 1.788 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1COC1 ZINC001254534317 947512102 /nfs/dbraw/zinc/51/21/02/947512102.db2.gz WOCPZUJAGMWBKC-JTQLQIEISA-N 1 0 250.298 1.762 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCS(C)(=O)=O ZINC001254533136 947514219 /nfs/dbraw/zinc/51/42/19/947514219.db2.gz WFJWDLKWNBFWPI-JTQLQIEISA-N 1 0 286.353 1.160 20 5 CDBDRO CO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254537481 947516251 /nfs/dbraw/zinc/51/62/51/947516251.db2.gz FAIOBBXAWUHULG-NJZAAPMLSA-N 1 0 294.351 1.919 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CN(C2COC2)C1 ZINC001254546976 947518590 /nfs/dbraw/zinc/51/85/90/947518590.db2.gz BFHIHDXSTMVDIP-NSHDSACASA-N 1 0 291.351 1.198 20 5 CDBDRO CCOCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254569411 947529918 /nfs/dbraw/zinc/52/99/18/947529918.db2.gz XTWXRFLAFCJBJI-GFCCVEGCSA-N 1 0 250.298 1.688 20 5 CDBDRO CN1CCC[C@@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254572626 947532934 /nfs/dbraw/zinc/53/29/34/947532934.db2.gz RFWTVRUHZWEOHX-KGLIPLIRSA-N 1 0 275.352 1.746 20 5 CDBDRO C[C@@H](CCO)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254586052 947541785 /nfs/dbraw/zinc/54/17/85/947541785.db2.gz ZMEBDYBIAXAYFL-CABZTGNLSA-N 1 0 250.298 1.423 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CC3(C1)CCOC3)C2 ZINC001254597901 947546547 /nfs/dbraw/zinc/54/65/47/947546547.db2.gz IYPIZSKMKDTHRS-AWEZNQCLSA-N 1 0 274.320 1.784 20 5 CDBDRO C[C@@H]1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[N@@H+]1C ZINC001254602058 947554107 /nfs/dbraw/zinc/55/41/07/947554107.db2.gz ACXCERDNBLHWOS-ABAIWWIYSA-N 1 0 275.352 1.698 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCNC[C@H]1F ZINC001246086767 947936780 /nfs/dbraw/zinc/93/67/80/947936780.db2.gz MBBGAUUIACURRE-RTXFEEFZSA-N 1 0 281.331 1.815 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@H]([NH3+])C[C@@H](F)C1 ZINC001246587872 948319262 /nfs/dbraw/zinc/31/92/62/948319262.db2.gz VRDJBOIWDZLJCR-RAIGVLPGSA-N 1 0 281.331 1.897 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(C)(C[NH3+])C1 ZINC001246588169 948323710 /nfs/dbraw/zinc/32/37/10/948323710.db2.gz KMBQGSJKLLJPDA-NSHDSACASA-N 1 0 263.341 1.806 20 5 CDBDRO COc1ccc(C[C@H](C)N2CC(C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246597821 948335079 /nfs/dbraw/zinc/33/50/79/948335079.db2.gz NKQJCMMYJFRKAY-NSHDSACASA-N 1 0 293.367 1.815 20 5 CDBDRO C[C@]1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CC[NH2+]1 ZINC001248726075 949105802 /nfs/dbraw/zinc/10/58/02/949105802.db2.gz YEIMBMYJSGDDDI-LLVKDONJSA-N 1 0 279.231 1.387 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH2+]CC1 ZINC001329404065 955886087 /nfs/dbraw/zinc/88/60/87/955886087.db2.gz BNAKKSIGJOYPGP-UHFFFAOYSA-N 1 0 278.312 1.118 20 5 CDBDRO CC1(C)C[NH2+]C[C@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331322800 956969577 /nfs/dbraw/zinc/96/95/77/956969577.db2.gz TYWKXCFRMSLBQO-ZDUSSCGKSA-N 1 0 289.335 1.683 20 5 CDBDRO NC(=O)COC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001340048128 962710165 /nfs/dbraw/zinc/71/01/65/962710165.db2.gz KJKYQMMSWSEINU-UHFFFAOYSA-N 1 0 293.323 1.061 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001341110483 963278873 /nfs/dbraw/zinc/27/88/73/963278873.db2.gz WOPWBZYXZAJAPZ-IVZWLZJFSA-N 1 0 265.313 1.755 20 5 CDBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CC[N+](=O)[O-])C1 ZINC001341392959 963396425 /nfs/dbraw/zinc/39/64/25/963396425.db2.gz NKPDKCUSNDIAFG-LBPRGKRZSA-N 1 0 258.318 1.174 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001342667866 963793622 /nfs/dbraw/zinc/79/36/22/963793622.db2.gz FYAWQJPRCLORTJ-QWHCGFSZSA-N 1 0 289.335 1.205 20 5 CDBDRO CC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2OC)CC1 ZINC001342810863 963829163 /nfs/dbraw/zinc/82/91/63/963829163.db2.gz KRNNALCKAPVJNX-UHFFFAOYSA-N 1 0 280.328 1.895 20 5 CDBDRO O=c1c2ccc([N+](=O)[O-])cc2ncn1C[C@H]1CCC[NH2+]C1 ZINC001345782324 964814688 /nfs/dbraw/zinc/81/46/88/964814688.db2.gz ZKSLMRBYFIAKPC-JTQLQIEISA-N 1 0 288.307 1.304 20 5 CDBDRO CCCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001200471892 968287294 /nfs/dbraw/zinc/28/72/94/968287294.db2.gz LPQFLVAEUIDEQS-VXGBXAGGSA-N 1 0 269.345 1.032 20 5 CDBDRO COc1ccc([C@@H](C[NH+](C)C)NCC[N+](=O)[O-])cc1 ZINC001356620787 969443289 /nfs/dbraw/zinc/44/32/89/969443289.db2.gz DZGRXYSGBYZMOZ-CYBMUJFWSA-N 1 0 267.329 1.164 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC001357810416 969658964 /nfs/dbraw/zinc/65/89/64/969658964.db2.gz HURKHFGENLIZIB-UHFFFAOYSA-N 1 0 289.335 1.729 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)CC(F)(F)F)c1 ZINC000307935758 342476592 /nfs/dbraw/zinc/47/65/92/342476592.db2.gz FOXGBPYAFYWEST-JTQLQIEISA-N 1 0 278.230 1.998 20 5 CDBDRO NC(=O)c1ccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000152837911 342477181 /nfs/dbraw/zinc/47/71/81/342477181.db2.gz NOLQJIRJLQMGNY-VXGBXAGGSA-N 1 0 289.335 1.926 20 5 CDBDRO Cc1c(CNC(=O)[C@H]([NH3+])CC(F)F)cccc1[N+](=O)[O-] ZINC000312438683 342527119 /nfs/dbraw/zinc/52/71/19/342527119.db2.gz ITECZXHICPIDNS-SECBINFHSA-N 1 0 287.266 1.502 20 5 CDBDRO CCOC[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231885101 341994887 /nfs/dbraw/zinc/99/48/87/341994887.db2.gz ADPWOLMQGBNXHR-LBPRGKRZSA-N 1 0 268.313 1.390 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCc2[nH]cnc2C1 ZINC000590379107 342540918 /nfs/dbraw/zinc/54/09/18/342540918.db2.gz LAPMRSVIBURYKU-UHFFFAOYSA-N 1 0 286.291 1.445 20 5 CDBDRO CSC[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000564862371 365537948 /nfs/dbraw/zinc/53/79/48/365537948.db2.gz CSXGBYBNHNUZKP-NSHDSACASA-N 1 0 270.354 1.717 20 5 CDBDRO COc1ccc(OCCN2C[C@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000601330578 342554667 /nfs/dbraw/zinc/55/46/67/342554667.db2.gz UXZWCFWXSKEASV-GHMZBOCLSA-N 1 0 295.339 1.404 20 5 CDBDRO CNc1ccc(C(=O)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000564950029 365554885 /nfs/dbraw/zinc/55/48/85/365554885.db2.gz INUPVRBEZGBYJY-JTQLQIEISA-N 1 0 278.312 1.118 20 5 CDBDRO Cc1ccc(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)cc1[N+](=O)[O-] ZINC000322826997 342567821 /nfs/dbraw/zinc/56/78/21/342567821.db2.gz FFFMFXRNZIDAHQ-HAQNSBGRSA-N 1 0 277.324 1.903 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000590566608 342575966 /nfs/dbraw/zinc/57/59/66/342575966.db2.gz MLTZXQYXFPNXRE-MWLCHTKSSA-N 1 0 292.339 1.342 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1Cc1csc([N+](=O)[O-])c1 ZINC000124532633 342065148 /nfs/dbraw/zinc/06/51/48/342065148.db2.gz RAAFKFKDQVSFKK-PSASIEDQSA-N 1 0 255.343 1.968 20 5 CDBDRO CN(CC1CC[NH+](C)CC1)c1cccnc1[N+](=O)[O-] ZINC000609143725 342092222 /nfs/dbraw/zinc/09/22/22/342092222.db2.gz XQSJECRXHDRADH-UHFFFAOYSA-N 1 0 264.329 1.768 20 5 CDBDRO COc1ccc(C[NH2+]C[C@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000590971956 342612298 /nfs/dbraw/zinc/61/22/98/342612298.db2.gz ZRKJEBBALUKNBQ-LLVKDONJSA-N 1 0 293.323 1.219 20 5 CDBDRO O=[N+]([O-])c1cc(CNC[C@@H]2CCCC[NH2+]2)cs1 ZINC000591275598 342623944 /nfs/dbraw/zinc/62/39/44/342623944.db2.gz IGOHQCLKBIFMSE-JTQLQIEISA-N 1 0 255.343 1.888 20 5 CDBDRO COc1cccc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1[N+](=O)[O-] ZINC000591437716 342631938 /nfs/dbraw/zinc/63/19/38/342631938.db2.gz JEWKXBCHVOHADN-WDEREUQCSA-N 1 0 277.324 1.792 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3CC[NH2+][C@H]3C2)s1 ZINC000591439400 342632110 /nfs/dbraw/zinc/63/21/10/342632110.db2.gz ULGVUOPOGQPJGJ-YUMQZZPRSA-N 1 0 254.315 1.240 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(C)(CO)CC1 ZINC000401746164 342657624 /nfs/dbraw/zinc/65/76/24/342657624.db2.gz VARIWWWLGDQEMS-UHFFFAOYSA-N 1 0 282.344 1.194 20 5 CDBDRO Cc1c(CNC(=O)[C@H]2[NH2+]CC2(C)C)cccc1[N+](=O)[O-] ZINC000591685648 342643364 /nfs/dbraw/zinc/64/33/64/342643364.db2.gz DLPUKKQGFXXWGR-GFCCVEGCSA-N 1 0 277.324 1.517 20 5 CDBDRO CC1([NH3+])CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000592484933 342695788 /nfs/dbraw/zinc/69/57/88/342695788.db2.gz JJMLLBPBUOTVEX-UHFFFAOYSA-N 1 0 279.340 1.787 20 5 CDBDRO Cc1ccc(C[NH2+]CC[C@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000593691243 342823499 /nfs/dbraw/zinc/82/34/99/342823499.db2.gz OLCQKVZWPDJTEH-OAHLLOKOSA-N 1 0 294.351 1.924 20 5 CDBDRO COc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000161846296 361955695 /nfs/dbraw/zinc/95/56/95/361955695.db2.gz ALZJYNJUFXAFQQ-GHMZBOCLSA-N 1 0 293.323 1.603 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000141942003 361959503 /nfs/dbraw/zinc/95/95/03/361959503.db2.gz UYZIZZGJOKTVDA-AWEZNQCLSA-N 1 0 289.335 1.905 20 5 CDBDRO COc1ccc(CN2CCO[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000128575111 342224887 /nfs/dbraw/zinc/22/48/87/342224887.db2.gz ZWQFJAJNGWSVBO-IINYFYTJSA-N 1 0 295.339 1.151 20 5 CDBDRO CCN(CC[NH3+])CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000600716330 342244126 /nfs/dbraw/zinc/24/41/26/342244126.db2.gz JYSRAANVAYPKGF-UHFFFAOYSA-N 1 0 280.328 1.122 20 5 CDBDRO C[NH2+]C1(CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000600825433 342251792 /nfs/dbraw/zinc/25/17/92/342251792.db2.gz HFTIRAYISOUXCD-LLVKDONJSA-N 1 0 291.351 1.957 20 5 CDBDRO Cc1c(NC(=O)[C@H]2CC[NH2+][C@H]2C)cccc1[N+](=O)[O-] ZINC000092952530 342270378 /nfs/dbraw/zinc/27/03/78/342270378.db2.gz DZTHWNKCZFTCBV-UWVGGRQHSA-N 1 0 263.297 1.840 20 5 CDBDRO C[C@H]1CC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)C1 ZINC000084974739 342270876 /nfs/dbraw/zinc/27/08/76/342270876.db2.gz QBOXLTNBAJYVPT-GYSYKLTISA-N 1 0 296.371 1.567 20 5 CDBDRO Cn1c(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000125761001 187198989 /nfs/dbraw/zinc/19/89/89/187198989.db2.gz DEGYVBRHUGDKPF-AXFHLTTASA-N 1 0 292.339 1.133 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](C)O ZINC000595005291 342995778 /nfs/dbraw/zinc/99/57/78/342995778.db2.gz BHPIEXKEGAYDJQ-RKDXNWHRSA-N 1 0 254.286 1.635 20 5 CDBDRO C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000619491835 349746555 /nfs/dbraw/zinc/74/65/55/349746555.db2.gz WEDFJAMPICEXTR-UWVGGRQHSA-N 1 0 285.369 1.548 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000595264368 343015659 /nfs/dbraw/zinc/01/56/59/343015659.db2.gz MLQAXYKSZVEQTF-SNVBAGLBSA-N 1 0 280.328 1.044 20 5 CDBDRO [NH3+][C@H]1C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000404523796 349774685 /nfs/dbraw/zinc/77/46/85/349774685.db2.gz RLIDKCGKUNDIFE-NWDGAFQWSA-N 1 0 290.323 1.986 20 5 CDBDRO [NH3+][C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000404533884 349775006 /nfs/dbraw/zinc/77/50/06/349775006.db2.gz YPTUREBSNWYSPI-NEPJUHHUSA-N 1 0 290.323 1.986 20 5 CDBDRO Cc1noc(C[N@H+](C)CC2CCOCC2)c1[N+](=O)[O-] ZINC000595406607 343049943 /nfs/dbraw/zinc/04/99/43/343049943.db2.gz FACABPOENDQFNS-UHFFFAOYSA-N 1 0 269.301 1.750 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+](CCO)C1CCOCC1 ZINC000595449835 343057899 /nfs/dbraw/zinc/05/78/99/343057899.db2.gz LZBQWQWIOUVKES-UHFFFAOYSA-N 1 0 298.314 1.707 20 5 CDBDRO CC[N@@H+]1CCN(Cc2onc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000595490676 343076210 /nfs/dbraw/zinc/07/62/10/343076210.db2.gz GNTMZXMRJBNBDH-SECBINFHSA-N 1 0 268.317 1.417 20 5 CDBDRO Cc1noc(CN2CC[N@@H+](C)C[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000595499012 343077655 /nfs/dbraw/zinc/07/76/55/343077655.db2.gz JZYDEHSXVIPTNJ-LLVKDONJSA-N 1 0 282.344 1.663 20 5 CDBDRO C[NH+]1CCC(O)(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000077450366 342330395 /nfs/dbraw/zinc/33/03/95/342330395.db2.gz DSBZELWFTZWGHX-UHFFFAOYSA-N 1 0 279.340 1.141 20 5 CDBDRO CC1(C)CC[NH2+][C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000595930673 343184208 /nfs/dbraw/zinc/18/42/08/343184208.db2.gz CCANXTRYONGXJN-CYBMUJFWSA-N 1 0 291.351 1.642 20 5 CDBDRO [NH3+][C@H]1C[C@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000595953261 343195266 /nfs/dbraw/zinc/19/52/66/343195266.db2.gz YUWKLXUHOSZAPG-HAQNSBGRSA-N 1 0 289.335 1.823 20 5 CDBDRO CC(C)(C)[N@@H+]1CCCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596094004 343234544 /nfs/dbraw/zinc/23/45/44/343234544.db2.gz GAMXINDQKSTETK-UHFFFAOYSA-N 1 0 293.371 1.883 20 5 CDBDRO CC(C)[N@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000085861016 342384122 /nfs/dbraw/zinc/38/41/22/342384122.db2.gz OTUGMETXXFQYJT-UHFFFAOYSA-N 1 0 295.339 1.626 20 5 CDBDRO CCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596206318 343265670 /nfs/dbraw/zinc/26/56/70/343265670.db2.gz RZYAFAGUCOYZKL-UHFFFAOYSA-N 1 0 294.355 1.472 20 5 CDBDRO C[NH+](C)CC1CN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000596248000 343273765 /nfs/dbraw/zinc/27/37/65/343273765.db2.gz VDURFOKULLAVNU-UHFFFAOYSA-N 1 0 254.265 1.127 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000596306871 343293065 /nfs/dbraw/zinc/29/30/65/343293065.db2.gz JBZXCTWFQHRFNN-JTQLQIEISA-N 1 0 281.360 1.861 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)nc1 ZINC000596569689 343344971 /nfs/dbraw/zinc/34/49/71/343344971.db2.gz BXAFWYFCWHCVGF-LBPRGKRZSA-N 1 0 291.355 1.341 20 5 CDBDRO O=C(NCC12CCC[NH+]1CCC2)c1ccccc1[N+](=O)[O-] ZINC000619573924 349808004 /nfs/dbraw/zinc/80/80/04/349808004.db2.gz DTAHNGLVJKMBRD-UHFFFAOYSA-N 1 0 289.335 1.953 20 5 CDBDRO CC1(O)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000126786124 187261595 /nfs/dbraw/zinc/26/15/95/187261595.db2.gz RYYBLEIMIPDRAO-UHFFFAOYSA-N 1 0 250.298 1.942 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000597534778 343568383 /nfs/dbraw/zinc/56/83/83/343568383.db2.gz ZCLAUNRKRQJVJM-PSASIEDQSA-N 1 0 266.301 1.135 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)[NH+](C)C ZINC000597992873 343682764 /nfs/dbraw/zinc/68/27/64/343682764.db2.gz OOTGFCBOEWLBOT-LLVKDONJSA-N 1 0 279.340 1.973 20 5 CDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000598342891 343771159 /nfs/dbraw/zinc/77/11/59/343771159.db2.gz OLBPHAKUMJKYIE-VIFPVBQESA-N 1 0 267.285 1.402 20 5 CDBDRO CCOc1cncc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000598642696 343854911 /nfs/dbraw/zinc/85/49/11/343854911.db2.gz VWSKXHVXTDVCGU-UHFFFAOYSA-N 1 0 291.311 1.375 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000598668736 343871722 /nfs/dbraw/zinc/87/17/22/343871722.db2.gz ZRYDPYUJMBTKGO-ABAIWWIYSA-N 1 0 289.335 1.857 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915950 343919995 /nfs/dbraw/zinc/91/99/95/343919995.db2.gz RFQPWIJJNNEESQ-ZETCQYMHSA-N 1 0 270.264 1.463 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598916301 343920012 /nfs/dbraw/zinc/92/00/12/343920012.db2.gz XDLCTOLWBUZOPU-ZETCQYMHSA-N 1 0 284.703 1.813 20 5 CDBDRO C[C@]1(CO)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000599623418 344097575 /nfs/dbraw/zinc/09/75/75/344097575.db2.gz NPBWKWICEYSVJW-GASCZTMLSA-N 1 0 294.351 1.408 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000599999570 344163074 /nfs/dbraw/zinc/16/30/74/344163074.db2.gz FWJNDFYIMADHEW-WDNDVIMCSA-N 1 0 289.335 1.535 20 5 CDBDRO Cc1c(NC(=O)[C@@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000602029291 344319069 /nfs/dbraw/zinc/31/90/69/344319069.db2.gz HIDKSMJFRQBMIJ-SECBINFHSA-N 1 0 251.286 1.792 20 5 CDBDRO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cs1 ZINC000601976917 344305601 /nfs/dbraw/zinc/30/56/01/344305601.db2.gz QEKCTOIXQWUEPK-AOOOYVTPSA-N 1 0 254.311 1.735 20 5 CDBDRO Cc1c(CC(=O)N2C[C@H]([NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000602597060 344503391 /nfs/dbraw/zinc/50/33/91/344503391.db2.gz TXDCBIUAIVTRES-BXKDBHETSA-N 1 0 277.324 1.394 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000602597637 344503486 /nfs/dbraw/zinc/50/34/86/344503486.db2.gz WKGWHXVHCGLKRS-SVRRBLITSA-N 1 0 255.299 1.218 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602514429 344460123 /nfs/dbraw/zinc/46/01/23/344460123.db2.gz MVYNCDZKCIKPIN-SFYZADRCSA-N 1 0 269.276 1.590 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCO[C@@H]2CCOC2)cc1 ZINC000602566392 344483391 /nfs/dbraw/zinc/48/33/91/344483391.db2.gz CNNRTECJRNYADM-OAHLLOKOSA-N 1 0 294.351 1.923 20 5 CDBDRO CO[C@@](C)(C[NH2+]CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000602568339 344484407 /nfs/dbraw/zinc/48/44/07/344484407.db2.gz JZXSSTCLRWMPDP-LBPRGKRZSA-N 1 0 268.317 1.196 20 5 CDBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000602765976 344573096 /nfs/dbraw/zinc/57/30/96/344573096.db2.gz NOGYKIDYJOZHLS-GFCCVEGCSA-N 1 0 282.344 1.458 20 5 CDBDRO CCc1nnc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000602674294 344524207 /nfs/dbraw/zinc/52/42/07/344524207.db2.gz XJDHTSDLMDYYTI-UHFFFAOYSA-N 1 0 275.312 1.608 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC([NH2+]C(C)C)CC1 ZINC000602788184 344600286 /nfs/dbraw/zinc/60/02/86/344600286.db2.gz MWNSKOPNZBXMIZ-UHFFFAOYSA-N 1 0 295.387 1.562 20 5 CDBDRO CC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000602808133 344602029 /nfs/dbraw/zinc/60/20/29/344602029.db2.gz CKUFSDHTIVOXAX-NEPJUHHUSA-N 1 0 282.344 1.647 20 5 CDBDRO Cc1c(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)cccc1[N+](=O)[O-] ZINC000602907218 344644248 /nfs/dbraw/zinc/64/42/48/344644248.db2.gz LIWAEOXVWWBBSS-JSGCOSHPSA-N 1 0 280.324 1.221 20 5 CDBDRO C[NH2+][C@H](C)c1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000603225034 344738082 /nfs/dbraw/zinc/73/80/82/344738082.db2.gz ZWNVYGRQJHZBIN-MRVPVSSYSA-N 1 0 279.275 1.654 20 5 CDBDRO C[N@@H+]1CC[C@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000609480950 344911396 /nfs/dbraw/zinc/91/13/96/344911396.db2.gz BZTPPGYDGJEISM-NSHDSACASA-N 1 0 293.323 1.042 20 5 CDBDRO COc1ccc(CN2CC[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000129096439 345261902 /nfs/dbraw/zinc/26/19/02/345261902.db2.gz MQXPEVGDGIJVPV-JQWIXIFHSA-N 1 0 279.340 1.915 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC1(O)CCC1)OCCO2 ZINC000609544508 345597228 /nfs/dbraw/zinc/59/72/28/345597228.db2.gz WYTSXWCPISZWNT-UHFFFAOYSA-N 1 0 294.307 1.371 20 5 CDBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)N(C)C ZINC000609626447 345983139 /nfs/dbraw/zinc/98/31/39/345983139.db2.gz MTSAWVBLVRCQRD-UHFFFAOYSA-N 1 0 279.340 1.547 20 5 CDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cn[nH]c1 ZINC000610487851 346292195 /nfs/dbraw/zinc/29/21/95/346292195.db2.gz ZMQXPHBTAWTORC-UHFFFAOYSA-N 1 0 260.297 1.992 20 5 CDBDRO C[C@H](NC(=O)CC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000037766594 346368217 /nfs/dbraw/zinc/36/82/17/346368217.db2.gz MWRQBYLTLOHVMU-JTQLQIEISA-N 1 0 277.324 1.914 20 5 CDBDRO CC1CC[NH+](C[C@@H](O)CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000344409832 362753614 /nfs/dbraw/zinc/75/36/14/362753614.db2.gz ARSQNIVHNKNCNP-ZDUSSCGKSA-N 1 0 294.355 1.495 20 5 CDBDRO COCC[N@@H+]1CC[C@@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000611413212 346779934 /nfs/dbraw/zinc/77/99/34/346779934.db2.gz XURNDKNIEIUVBA-SECBINFHSA-N 1 0 271.342 1.789 20 5 CDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000069137609 347570766 /nfs/dbraw/zinc/57/07/66/347570766.db2.gz CQTXZWHAUVOPSD-SNVBAGLBSA-N 1 0 281.312 1.650 20 5 CDBDRO COc1cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000613286025 347660942 /nfs/dbraw/zinc/66/09/42/347660942.db2.gz UXRYSNJLINFKCF-QWRGUYRKSA-N 1 0 295.314 1.394 20 5 CDBDRO COCC[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055905912 347854491 /nfs/dbraw/zinc/85/44/91/347854491.db2.gz PCOMAUPVWYPADI-UHFFFAOYSA-N 1 0 268.313 1.942 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000086468075 179298676 /nfs/dbraw/zinc/29/86/76/179298676.db2.gz NCFJHICIVGXZDX-JZUADKBYSA-N 1 0 289.335 1.817 20 5 CDBDRO CC[C@@H](CO)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000614822132 348242658 /nfs/dbraw/zinc/24/26/58/348242658.db2.gz RYSBQSIHWIRTME-JTQLQIEISA-N 1 0 282.296 1.227 20 5 CDBDRO COc1cc(N2CC[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000615494274 348559431 /nfs/dbraw/zinc/55/94/31/348559431.db2.gz MMDUBVUESMEZJZ-JTQLQIEISA-N 1 0 265.313 1.744 20 5 CDBDRO COc1ccc(C(=O)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000025149387 348620205 /nfs/dbraw/zinc/62/02/05/348620205.db2.gz SIKZTKLYEFLDSJ-VIFPVBQESA-N 1 0 281.312 1.283 20 5 CDBDRO C[C@@]1(CNC(=O)Cc2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000128925410 187399893 /nfs/dbraw/zinc/39/98/93/187399893.db2.gz AULLGVUYYVKSMR-OAHLLOKOSA-N 1 0 291.351 1.643 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000615835366 348843065 /nfs/dbraw/zinc/84/30/65/348843065.db2.gz MHPBYGIDZSLLLC-HLIIYUEKSA-N 1 0 278.308 1.036 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089091407 179699759 /nfs/dbraw/zinc/69/97/59/179699759.db2.gz LGYWRXDGXSMOCM-ZWNOBZJWSA-N 1 0 277.324 1.760 20 5 CDBDRO COCC[NH+](CCOC)CCc1ccc([N+](=O)[O-])cc1 ZINC000059385841 348879896 /nfs/dbraw/zinc/87/98/96/348879896.db2.gz SBQJMNLDBCOSNF-UHFFFAOYSA-N 1 0 282.340 1.732 20 5 CDBDRO C[C@@H](O)CCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000616104809 349293511 /nfs/dbraw/zinc/29/35/11/349293511.db2.gz REWJSIMOVPTARO-GFCCVEGCSA-N 1 0 294.355 1.273 20 5 CDBDRO COC(=O)COC[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000295153003 199375832 /nfs/dbraw/zinc/37/58/32/199375832.db2.gz JTAIOAZDUZZYMS-LLVKDONJSA-N 1 0 296.323 1.305 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091543116 180184406 /nfs/dbraw/zinc/18/44/06/180184406.db2.gz KFMUUODKUKTIRR-ZYHUDNBSSA-N 1 0 277.324 1.681 20 5 CDBDRO CN1CCO[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000105471256 186058656 /nfs/dbraw/zinc/05/86/56/186058656.db2.gz ZXFWMWKUSWLMCP-SNVBAGLBSA-N 1 0 271.342 1.077 20 5 CDBDRO COC[C@](C)([NH3+])CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000271381890 191109293 /nfs/dbraw/zinc/10/92/93/191109293.db2.gz XLSINWPWYOJVEH-CQSZACIVSA-N 1 0 290.323 1.919 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000109847722 186276387 /nfs/dbraw/zinc/27/63/87/186276387.db2.gz VEFHAIRTACLLHP-NSHDSACASA-N 1 0 277.324 1.585 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@H]2COCC[NH2+]2)c(Cl)c1 ZINC000236051872 362972417 /nfs/dbraw/zinc/97/24/17/362972417.db2.gz QQOHZCNUSVNSCC-ZETCQYMHSA-N 1 0 272.692 1.044 20 5 CDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000110796018 186325010 /nfs/dbraw/zinc/32/50/10/186325010.db2.gz AZXQNJUWBXCDDW-SECBINFHSA-N 1 0 297.742 1.978 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000311372646 350676552 /nfs/dbraw/zinc/67/65/52/350676552.db2.gz GSFIKQUSVMNQGD-UHFFFAOYSA-N 1 0 267.285 1.024 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@](F)(CO)C2)cc1 ZINC000619815797 350855120 /nfs/dbraw/zinc/85/51/20/350855120.db2.gz HIVVXZVYURZSCR-AWEZNQCLSA-N 1 0 298.314 1.770 20 5 CDBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1 ZINC000117335251 351159503 /nfs/dbraw/zinc/15/95/03/351159503.db2.gz KJZZKTJFHCFXNS-UHFFFAOYSA-N 1 0 291.307 1.987 20 5 CDBDRO C[C@H](CNc1cc(N)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000291668053 198056798 /nfs/dbraw/zinc/05/67/98/198056798.db2.gz DFAPVKPEPOBDRK-SECBINFHSA-N 1 0 252.318 1.787 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000122657575 187044301 /nfs/dbraw/zinc/04/43/01/187044301.db2.gz PZYZWPSASVMKED-DTWKUNHWSA-N 1 0 281.287 1.556 20 5 CDBDRO CCc1n[nH]c(C(=O)N[C@H](C)C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000291760777 198083397 /nfs/dbraw/zinc/08/33/97/198083397.db2.gz DAYQIXLQYUKGBA-SECBINFHSA-N 1 0 297.359 1.339 20 5 CDBDRO COc1ccc(CN2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000123418034 187090506 /nfs/dbraw/zinc/09/05/06/187090506.db2.gz YEZJDFYNXWUSOO-NSHDSACASA-N 1 0 265.313 1.527 20 5 CDBDRO C[C@H]([N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)O ZINC000295163287 199380020 /nfs/dbraw/zinc/38/00/20/199380020.db2.gz NNCVTNLMUDWADU-VIFPVBQESA-N 1 0 295.339 1.285 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C)C1 ZINC000153467968 188084794 /nfs/dbraw/zinc/08/47/94/188084794.db2.gz NMVDJJSJOLDVJX-ZDUSSCGKSA-N 1 0 277.324 1.761 20 5 CDBDRO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000273505989 192179185 /nfs/dbraw/zinc/17/91/85/192179185.db2.gz WFOVRMIETYOYHJ-MRVPVSSYSA-N 1 0 284.291 1.806 20 5 CDBDRO COc1cc(C(=O)NCC[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000156704575 188277605 /nfs/dbraw/zinc/27/76/05/188277605.db2.gz VBDYHNKIAAPRLZ-SNVBAGLBSA-N 1 0 293.323 1.333 20 5 CDBDRO COc1cc(C(=O)NC[C@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000156727073 188278126 /nfs/dbraw/zinc/27/81/26/188278126.db2.gz LPCOWEOWCYRHKZ-JTQLQIEISA-N 1 0 281.312 1.317 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365377276 363360439 /nfs/dbraw/zinc/36/04/39/363360439.db2.gz IFXVMSWSGFJCEM-GXTWGEPZSA-N 1 0 289.335 1.348 20 5 CDBDRO CCOc1cccc(N(C)CC[NH2+]C)c1[N+](=O)[O-] ZINC000134894441 356453689 /nfs/dbraw/zinc/45/36/89/356453689.db2.gz PDQQRUNLNBHEDQ-UHFFFAOYSA-N 1 0 253.302 1.649 20 5 CDBDRO C[N@H+]1CC=C(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000273709094 192272544 /nfs/dbraw/zinc/27/25/44/192272544.db2.gz FAGZPVGELZSWPA-UHFFFAOYSA-N 1 0 290.323 1.368 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000037646935 356516383 /nfs/dbraw/zinc/51/63/83/356516383.db2.gz VDBNTTJWZRWQAB-VIFPVBQESA-N 1 0 297.742 1.930 20 5 CDBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1F)N1CC[NH+](C)CC1 ZINC000572848204 356967704 /nfs/dbraw/zinc/96/77/04/356967704.db2.gz YMXHPPMWUHJGGI-SNVBAGLBSA-N 1 0 297.334 1.177 20 5 CDBDRO C[NH2+]C[C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000149422180 357299403 /nfs/dbraw/zinc/29/94/03/357299403.db2.gz JAUHKCOWHXNOCO-MRVPVSSYSA-N 1 0 270.720 1.689 20 5 CDBDRO CCOC[C@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000566112129 357340649 /nfs/dbraw/zinc/34/06/49/357340649.db2.gz ROTFLFGWYUGIRL-CYBMUJFWSA-N 1 0 268.313 1.124 20 5 CDBDRO CC(C)([NH3+])CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000236848108 357577801 /nfs/dbraw/zinc/57/78/01/357577801.db2.gz UBUBJQMSMQSYEP-UHFFFAOYSA-N 1 0 265.313 1.381 20 5 CDBDRO C[NH+]1CCC(CNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000023013643 357612470 /nfs/dbraw/zinc/61/24/70/357612470.db2.gz JAZUIJBBBMWXAR-UHFFFAOYSA-N 1 0 277.324 1.666 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000186809996 357695080 /nfs/dbraw/zinc/69/50/80/357695080.db2.gz HVSWZEPDKFXSAC-YRDGOHCCSA-N 1 0 289.335 1.722 20 5 CDBDRO Cc1cc(C(=O)NCC[NH2+]C2CC2)cc([N+](=O)[O-])c1 ZINC000135225042 357800616 /nfs/dbraw/zinc/80/06/16/357800616.db2.gz IWDWXSFHJYPTMQ-UHFFFAOYSA-N 1 0 263.297 1.385 20 5 CDBDRO CO[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000188127750 357849593 /nfs/dbraw/zinc/84/95/93/357849593.db2.gz XQQPDRLZDXFREQ-GHMZBOCLSA-N 1 0 295.339 1.936 20 5 CDBDRO CO[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000361361086 358170163 /nfs/dbraw/zinc/17/01/63/358170163.db2.gz BKLSMRIPAMEJOC-GXTWGEPZSA-N 1 0 296.323 1.055 20 5 CDBDRO CO[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000361374549 358171612 /nfs/dbraw/zinc/17/16/12/358171612.db2.gz XRMLXHJZUDCHQD-GXFFZTMASA-N 1 0 293.323 1.643 20 5 CDBDRO C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)CCS1 ZINC000192173897 358179610 /nfs/dbraw/zinc/17/96/10/358179610.db2.gz HRHIOATWPABXQK-JTQLQIEISA-N 1 0 270.358 1.619 20 5 CDBDRO COC(=O)c1cc(NC(=O)CC[C@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000193198531 358273181 /nfs/dbraw/zinc/27/31/81/358273181.db2.gz APJJALYBEOEDQM-QMMMGPOBSA-N 1 0 295.295 1.447 20 5 CDBDRO O=[N+]([O-])c1cnn(CCN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000584354026 366388596 /nfs/dbraw/zinc/38/85/96/366388596.db2.gz YXTFYBKHCYBKFT-UONOGXRCSA-N 1 0 293.371 1.398 20 5 CDBDRO CC1(C)C[NH2+][C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000591674550 358576076 /nfs/dbraw/zinc/57/60/76/358576076.db2.gz XKRBCDWKWKPOAC-NSHDSACASA-N 1 0 263.297 1.209 20 5 CDBDRO CC[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176208055 358737296 /nfs/dbraw/zinc/73/72/96/358737296.db2.gz IKVSHYYPOPNDIV-LLVKDONJSA-N 1 0 252.318 1.913 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CC(C)(C)O ZINC000304140959 358912942 /nfs/dbraw/zinc/91/29/42/358912942.db2.gz UYTAZILZCXKIGO-UHFFFAOYSA-N 1 0 295.339 1.544 20 5 CDBDRO CCOc1cc(C[N@H+](C)C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000291126646 358881337 /nfs/dbraw/zinc/88/13/37/358881337.db2.gz BKOSGCVSXYOMSA-JTQLQIEISA-N 1 0 268.313 1.806 20 5 CDBDRO Cc1cc(C(=O)N[C@H](C)[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000381381003 359041648 /nfs/dbraw/zinc/04/16/48/359041648.db2.gz PFSPHEVHOIPNHN-RKDXNWHRSA-N 1 0 251.286 1.369 20 5 CDBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000296857071 200017338 /nfs/dbraw/zinc/01/73/38/200017338.db2.gz GLISPZJCQPZECO-UHFFFAOYSA-N 1 0 292.339 1.670 20 5 CDBDRO C[C@@H](O)CC[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000135542131 359680922 /nfs/dbraw/zinc/68/09/22/359680922.db2.gz YRUMYLGVSWZMIM-SECBINFHSA-N 1 0 256.277 1.937 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1OC[C@@H]1CC[NH2+]C1 ZINC000051890796 359980357 /nfs/dbraw/zinc/98/03/57/359980357.db2.gz JJFDONRUBLVWCK-SECBINFHSA-N 1 0 252.270 1.592 20 5 CDBDRO CC[NH2+]CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000054263345 360065188 /nfs/dbraw/zinc/06/51/88/360065188.db2.gz ZCASNGCDRWUIBT-UHFFFAOYSA-N 1 0 271.704 1.588 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000135881938 360138849 /nfs/dbraw/zinc/13/88/49/360138849.db2.gz XUDOBFSPWCYINA-CMPLNLGQSA-N 1 0 277.324 1.333 20 5 CDBDRO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H](C[NH3+])C1 ZINC000235659381 360232772 /nfs/dbraw/zinc/23/27/72/360232772.db2.gz ZSWLCCHMXYZILB-IUCAKERBSA-N 1 0 267.285 1.387 20 5 CDBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000487466381 360422709 /nfs/dbraw/zinc/42/27/09/360422709.db2.gz XOBQCVBONGJMBI-UWVGGRQHSA-N 1 0 280.328 1.526 20 5 CDBDRO CCCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000112309829 360521862 /nfs/dbraw/zinc/52/18/62/360521862.db2.gz RLKKIIJOEWOWSO-UHFFFAOYSA-N 1 0 269.301 1.650 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000044541542 360505085 /nfs/dbraw/zinc/50/50/85/360505085.db2.gz GEGIQXZTYSVPRZ-QMMMGPOBSA-N 1 0 253.258 1.141 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000238068308 360717184 /nfs/dbraw/zinc/71/71/84/360717184.db2.gz SJAPAYVVZBADMC-MFKMUULPSA-N 1 0 293.323 1.217 20 5 CDBDRO C[NH+](C)CCCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000299303510 200671075 /nfs/dbraw/zinc/67/10/75/200671075.db2.gz CINAZXKYHGDYLY-UHFFFAOYSA-N 1 0 255.274 1.259 20 5 CDBDRO CCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000340454311 360862923 /nfs/dbraw/zinc/86/29/23/360862923.db2.gz CQAWZDRSMUQUQU-UHFFFAOYSA-N 1 0 280.328 1.527 20 5 CDBDRO Cc1ccc(CN(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000289762452 360955666 /nfs/dbraw/zinc/95/56/66/360955666.db2.gz JXXSDHVYDFFKMY-UHFFFAOYSA-N 1 0 251.330 1.897 20 5 CDBDRO C[N@@H+]1CC[C@](O)(CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000358328734 360960457 /nfs/dbraw/zinc/96/04/57/360960457.db2.gz JYUWGVDEMHFICP-LBPRGKRZSA-N 1 0 285.731 1.727 20 5 CDBDRO Cc1ccc(NC(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000180587567 189263339 /nfs/dbraw/zinc/26/33/39/189263339.db2.gz GATXIHPDVQKLLH-UHFFFAOYSA-N 1 0 266.301 1.586 20 5 CDBDRO Cc1c(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cccc1[N+](=O)[O-] ZINC000070076344 361237958 /nfs/dbraw/zinc/23/79/58/361237958.db2.gz USSSMWQFWQJGQX-NXEZZACHSA-N 1 0 277.324 1.726 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000124562667 361392293 /nfs/dbraw/zinc/39/22/93/361392293.db2.gz VMTOJCJWTRYFJC-UHFFFAOYSA-N 1 0 265.313 1.585 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000519535942 361378708 /nfs/dbraw/zinc/37/87/08/361378708.db2.gz CYRGKYHZZKWVCK-SNVBAGLBSA-N 1 0 295.339 1.118 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[NH2+]1 ZINC000053253683 361403213 /nfs/dbraw/zinc/40/32/13/361403213.db2.gz LVUYJFWYZXUZSN-NSHDSACASA-N 1 0 263.297 1.006 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000183246078 189352302 /nfs/dbraw/zinc/35/23/02/189352302.db2.gz HKBITWAKEHHEAV-CQSZACIVSA-N 1 0 291.351 1.956 20 5 CDBDRO Cc1nc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)ncc1[N+](=O)[O-] ZINC000294831134 361413386 /nfs/dbraw/zinc/41/33/86/361413386.db2.gz ADGUWTOMQVJNDF-AWEZNQCLSA-N 1 0 291.355 1.615 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000248612491 361699972 /nfs/dbraw/zinc/69/99/72/361699972.db2.gz LFBKGCJQFDMIPO-FRRDWIJNSA-N 1 0 289.335 1.333 20 5 CDBDRO CNc1ccc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000581245304 363974363 /nfs/dbraw/zinc/97/43/63/363974363.db2.gz MNBCWCODFSJMNQ-LBPRGKRZSA-N 1 0 294.355 1.740 20 5 CDBDRO COc1ccc(C(=O)N2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000088058994 364047863 /nfs/dbraw/zinc/04/78/63/364047863.db2.gz YMOUTRXHJJNTCA-SECBINFHSA-N 1 0 279.296 1.037 20 5 CDBDRO COC[C@@H](CCO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000223970006 370763553 /nfs/dbraw/zinc/76/35/53/370763553.db2.gz HDCJIHGMMHGRME-CMPLNLGQSA-N 1 0 268.313 1.643 20 5 CDBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CCCC1 ZINC000264220666 364610118 /nfs/dbraw/zinc/61/01/18/364610118.db2.gz VTLXAMQIDWJJAE-UHFFFAOYSA-N 1 0 280.328 1.527 20 5 CDBDRO CCOCCN1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000105790906 364780512 /nfs/dbraw/zinc/78/05/12/364780512.db2.gz LJZUDKUMSZZNFH-UHFFFAOYSA-N 1 0 280.328 1.148 20 5 CDBDRO COCCC[N@H+](CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000275503995 193060409 /nfs/dbraw/zinc/06/04/09/193060409.db2.gz RJNKUUHJSKEWQJ-UHFFFAOYSA-N 1 0 298.339 1.304 20 5 CDBDRO O=C(N1CCc2c1cccc2[N+](=O)[O-])[C@]1(F)CC[NH2+]C1 ZINC000370779905 283895998 /nfs/dbraw/zinc/89/59/98/283895998.db2.gz LTNYEXPBZKFFDH-ZDUSSCGKSA-N 1 0 279.271 1.186 20 5 CDBDRO C[N@@H+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000271078778 366964940 /nfs/dbraw/zinc/96/49/40/366964940.db2.gz XVXNZYFMPZGLIO-CQSZACIVSA-N 1 0 293.367 1.654 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000414667970 241312255 /nfs/dbraw/zinc/31/22/55/241312255.db2.gz YFGDDBXQGJXEPD-NSHDSACASA-N 1 0 278.312 1.762 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000414712798 241346552 /nfs/dbraw/zinc/34/65/52/241346552.db2.gz UGVIJCUGFGYXAM-VIFPVBQESA-N 1 0 280.328 1.880 20 5 CDBDRO [NH3+]CC[C@@H](NCc1ccccc1[N+](=O)[O-])C(F)F ZINC000415001392 241512327 /nfs/dbraw/zinc/51/23/27/241512327.db2.gz YCXWKSOUDUMLDN-SECBINFHSA-N 1 0 259.256 1.667 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415380518 241663617 /nfs/dbraw/zinc/66/36/17/241663617.db2.gz GWDPABTXLBRTTN-SECBINFHSA-N 1 0 281.316 1.051 20 5 CDBDRO COc1ccc(CNC(=O)N[C@@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000417189393 242351065 /nfs/dbraw/zinc/35/10/65/242351065.db2.gz JCIASACBEMRNIL-VIFPVBQESA-N 1 0 296.327 1.140 20 5 CDBDRO COc1cc(C(=O)NCC[C@@H](C)[NH3+])cc([N+](=O)[O-])c1OC ZINC000269167359 367765352 /nfs/dbraw/zinc/76/53/52/367765352.db2.gz QXZFYSDWTSOJQS-MRVPVSSYSA-N 1 0 297.311 1.079 20 5 CDBDRO C[NH2+]CCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000414856463 370876743 /nfs/dbraw/zinc/87/67/43/370876743.db2.gz AIISZCAZFOODSK-UHFFFAOYSA-N 1 0 257.721 1.947 20 5 CDBDRO CCc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000269265309 368095767 /nfs/dbraw/zinc/09/57/67/368095767.db2.gz KLURQETUHOKSAV-ZWNOBZJWSA-N 1 0 291.351 1.967 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000269303288 368255384 /nfs/dbraw/zinc/25/53/84/368255384.db2.gz YHNORTGIKBYWNG-NSHDSACASA-N 1 0 299.302 1.212 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000330603225 203025281 /nfs/dbraw/zinc/02/52/81/203025281.db2.gz HVHPOLJJVQVSGL-VXGBXAGGSA-N 1 0 291.351 1.688 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+][C@@H](C)C1 ZINC000420332087 244097205 /nfs/dbraw/zinc/09/72/05/244097205.db2.gz FXSKJOGIDIGPNC-NSHDSACASA-N 1 0 292.339 1.135 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+]1C ZINC000330898254 203367821 /nfs/dbraw/zinc/36/78/21/203367821.db2.gz IBTXZQBZDOINAY-RKDXNWHRSA-N 1 0 266.301 1.135 20 5 CDBDRO CN(C1(C[NH3+])CCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000385285786 370465522 /nfs/dbraw/zinc/46/55/22/370465522.db2.gz CBLSFYOUYUFENA-UHFFFAOYSA-N 1 0 299.352 1.097 20 5 CDBDRO CCC[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000295560719 370487781 /nfs/dbraw/zinc/48/77/81/370487781.db2.gz QHEHBCNETPEKRJ-LLVKDONJSA-N 1 0 279.344 1.837 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422720760 245178327 /nfs/dbraw/zinc/17/83/27/245178327.db2.gz TVZIQCNFHKDXIR-ZWNOBZJWSA-N 1 0 279.340 1.834 20 5 CDBDRO C[NH2+]C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000422832076 245310988 /nfs/dbraw/zinc/31/09/88/245310988.db2.gz XKCNNUOPRKVEPO-UHFFFAOYSA-N 1 0 291.351 1.656 20 5 CDBDRO Cc1c(CC(=O)N[C@@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000422854468 245335710 /nfs/dbraw/zinc/33/57/10/245335710.db2.gz ASYJCFWQETZKCD-LBPRGKRZSA-N 1 0 277.324 1.299 20 5 CDBDRO CSCC[C@H]([NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000237315824 189872584 /nfs/dbraw/zinc/87/25/84/189872584.db2.gz AIEBXYRFMSKKRJ-NSHDSACASA-N 1 0 297.380 1.334 20 5 CDBDRO Cc1c(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000368336346 373323631 /nfs/dbraw/zinc/32/36/31/373323631.db2.gz MWOBPOVZEQZOSE-ITGUQSILSA-N 1 0 262.309 1.573 20 5 CDBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[NH2+]CC1 ZINC000130741616 373507465 /nfs/dbraw/zinc/50/74/65/373507465.db2.gz LPJLSLUSDXOGSU-UHFFFAOYSA-N 1 0 283.715 1.684 20 5 CDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)CC[NH+](C)C ZINC000301379051 373510967 /nfs/dbraw/zinc/51/09/67/373510967.db2.gz SSQFTLGHVURCGM-SNVBAGLBSA-N 1 0 294.355 1.707 20 5 CDBDRO C[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)C(C)(C)C[NH+](C)C ZINC000301355078 373512423 /nfs/dbraw/zinc/51/24/23/373512423.db2.gz OEJDESGXHNNLOR-MRVPVSSYSA-N 1 0 282.348 1.355 20 5 CDBDRO COc1ccc(C[NH2+]C[C@]2(OC)CCOC2)cc1[N+](=O)[O-] ZINC000122899156 373580037 /nfs/dbraw/zinc/58/00/37/373580037.db2.gz QQFAHRYVCWAQAK-CQSZACIVSA-N 1 0 296.323 1.499 20 5 CDBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccc([N+](=O)[O-])s1 ZINC000368385687 373836648 /nfs/dbraw/zinc/83/66/48/373836648.db2.gz PYIRELXGVSTAOS-VIFPVBQESA-N 1 0 281.337 1.528 20 5 CDBDRO C[C@@H]1COCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269693987 373841012 /nfs/dbraw/zinc/84/10/12/373841012.db2.gz VWGONIKDJJQBHJ-ZWNOBZJWSA-N 1 0 266.297 1.349 20 5 CDBDRO Cc1nc(NC[C@@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000161545899 374218105 /nfs/dbraw/zinc/21/81/05/374218105.db2.gz GXWJWUXTSPBTHU-JTQLQIEISA-N 1 0 250.302 1.662 20 5 CDBDRO C[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1[NH3+] ZINC000420272614 374294076 /nfs/dbraw/zinc/29/40/76/374294076.db2.gz IHBPMPMFUAAFMX-KWQFWETISA-N 1 0 289.295 1.428 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)C[NH3+] ZINC000423448822 374381250 /nfs/dbraw/zinc/38/12/50/374381250.db2.gz FOTRZUPFARQIQP-QMMMGPOBSA-N 1 0 251.286 1.228 20 5 CDBDRO Cc1c([C@H](C)NC[C@H]2C[NH2+]CCN2C)cccc1[N+](=O)[O-] ZINC000423502771 374384814 /nfs/dbraw/zinc/38/48/14/374384814.db2.gz FIWQFWVJZCOYKC-QWHCGFSZSA-N 1 0 292.383 1.457 20 5 CDBDRO Cc1c([C@@H](C)NC[C@@H]2C[NH2+]CCN2C)cccc1[N+](=O)[O-] ZINC000423502770 374386071 /nfs/dbraw/zinc/38/60/71/374386071.db2.gz FIWQFWVJZCOYKC-OLZOCXBDSA-N 1 0 292.383 1.457 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423947557 246244926 /nfs/dbraw/zinc/24/49/26/246244926.db2.gz JEVGRHJXXOSDNC-LDYMZIIASA-N 1 0 279.296 1.023 20 5 CDBDRO CCOC[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000069278537 374540574 /nfs/dbraw/zinc/54/05/74/374540574.db2.gz KMCIEOYPKVKLNE-GFCCVEGCSA-N 1 0 254.286 1.082 20 5 CDBDRO COCC[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000081711674 374543998 /nfs/dbraw/zinc/54/39/98/374543998.db2.gz BXPADXGUVLEDIG-NSHDSACASA-N 1 0 268.313 1.988 20 5 CDBDRO O=C1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)[C@@H]2CCCCN12 ZINC000376588523 374564013 /nfs/dbraw/zinc/56/40/13/374564013.db2.gz CRSWZDZYRAKSRS-KGLIPLIRSA-N 1 0 289.335 1.838 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000378097893 374631131 /nfs/dbraw/zinc/63/11/31/374631131.db2.gz ADYCBRCDCFBYJZ-LBPRGKRZSA-N 1 0 272.308 1.965 20 5 CDBDRO CCc1ccc(C(=O)NC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000130157812 374653506 /nfs/dbraw/zinc/65/35/06/374653506.db2.gz RKCGUTLFJKIXGQ-LLVKDONJSA-N 1 0 291.351 1.887 20 5 CDBDRO COc1ccc(C[NH2+][C@@H](CO)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000447923829 374721892 /nfs/dbraw/zinc/72/18/92/374721892.db2.gz UIIUAFNQIALHJO-AAEUAGOBSA-N 1 0 296.323 1.233 20 5 CDBDRO C[C@H](c1cccnc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000093227984 374734483 /nfs/dbraw/zinc/73/44/83/374734483.db2.gz IZKXXMDZQFXKCO-LLVKDONJSA-N 1 0 275.312 1.879 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000124545642 374820356 /nfs/dbraw/zinc/82/03/56/374820356.db2.gz ZGHRBAUAYPHNMJ-SNVBAGLBSA-N 1 0 295.343 1.842 20 5 CDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000331159496 374898035 /nfs/dbraw/zinc/89/80/35/374898035.db2.gz DWUDZMRHTKOEOW-QWHCGFSZSA-N 1 0 291.351 1.908 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C2)nc1 ZINC000331365247 374941072 /nfs/dbraw/zinc/94/10/72/374941072.db2.gz CYCUINWRZBJZFE-DGCLKSJQSA-N 1 0 292.339 1.655 20 5 CDBDRO CC1(C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000279807756 374963986 /nfs/dbraw/zinc/96/39/86/374963986.db2.gz PRGGISWNHYLGBS-QWHCGFSZSA-N 1 0 280.324 1.331 20 5 CDBDRO Cc1cc(C(=O)NCC[N@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000280290170 374990668 /nfs/dbraw/zinc/99/06/68/374990668.db2.gz RBCDNOZRWFHDOY-UHFFFAOYSA-N 1 0 289.335 1.895 20 5 CDBDRO Nc1c(C(=O)NCC[N@H+]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000280342578 374992288 /nfs/dbraw/zinc/99/22/88/374992288.db2.gz WKKVDCYREOJSRB-UHFFFAOYSA-N 1 0 290.323 1.169 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2[C@H](C1)OCCN2C ZINC000332213435 375014271 /nfs/dbraw/zinc/01/42/71/375014271.db2.gz KFYOLAXUYHSTMW-CABCVRRESA-N 1 0 291.351 1.418 20 5 CDBDRO CC(C)[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000344708662 375197794 /nfs/dbraw/zinc/19/77/94/375197794.db2.gz JYJMUTPBVHCUAV-ZDUSSCGKSA-N 1 0 296.323 1.568 20 5 CDBDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000350641934 375221681 /nfs/dbraw/zinc/22/16/81/375221681.db2.gz LYXBHKYTZMHTIG-UHFFFAOYSA-N 1 0 298.343 1.540 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](CO)C2CCCC2)c1 ZINC000289482507 197368332 /nfs/dbraw/zinc/36/83/32/197368332.db2.gz IYCFTYFMWCLOAY-GJZGRUSLSA-N 1 0 294.351 1.769 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H]3CCC[C@H]32)c1 ZINC000426459235 247028308 /nfs/dbraw/zinc/02/83/08/247028308.db2.gz JVHADCJECVPPSH-ZYHUDNBSSA-N 1 0 250.302 1.666 20 5 CDBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 ZINC000294078936 375664409 /nfs/dbraw/zinc/66/44/09/375664409.db2.gz JNHHNYRMLQJQNT-AWEZNQCLSA-N 1 0 292.339 1.481 20 5 CDBDRO Cc1ccc(NC(=O)[C@@]2(F)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000163399001 375687514 /nfs/dbraw/zinc/68/75/14/375687514.db2.gz WRSPJJNYJCWBLA-GFCCVEGCSA-N 1 0 267.260 1.543 20 5 CDBDRO COc1c(C(=O)NC[C@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000354431977 375709965 /nfs/dbraw/zinc/70/99/65/375709965.db2.gz SZWHRFAJPLPTHT-VIFPVBQESA-N 1 0 281.312 1.283 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)cc([N+](=O)[O-])c1 ZINC000307909561 375895582 /nfs/dbraw/zinc/89/55/82/375895582.db2.gz FWRSLVYGYWPIPS-GFCCVEGCSA-N 1 0 277.324 1.774 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@@H+]1C ZINC000357415012 375907130 /nfs/dbraw/zinc/90/71/30/375907130.db2.gz NIBCPGSBRBLTKW-RKDXNWHRSA-N 1 0 266.301 1.135 20 5 CDBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCC(=O)NC2)cccc1[N+](=O)[O-] ZINC000358132843 375952737 /nfs/dbraw/zinc/95/27/37/375952737.db2.gz OWPYFGKBHSKAEB-GHMZBOCLSA-N 1 0 277.324 1.832 20 5 CDBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2COCCO2)cccc1[N+](=O)[O-] ZINC000358224527 375958344 /nfs/dbraw/zinc/95/83/44/375958344.db2.gz RDQGSJODOQMZHM-NEPJUHHUSA-N 1 0 280.324 1.969 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000134120339 375915067 /nfs/dbraw/zinc/91/50/67/375915067.db2.gz RFJCQRKUKLITCT-JTQLQIEISA-N 1 0 295.314 1.344 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000262786758 190062859 /nfs/dbraw/zinc/06/28/59/190062859.db2.gz MMJOEVBFHPMKSC-MNOVXSKESA-N 1 0 277.324 1.346 20 5 CDBDRO Cc1sc(C(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262832854 190063450 /nfs/dbraw/zinc/06/34/50/190063450.db2.gz VNFFBPLYGRHJOY-HTQZYQBOSA-N 1 0 283.353 1.787 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000262816215 190063540 /nfs/dbraw/zinc/06/35/40/190063540.db2.gz RXKUDBGHQMBLKS-NXEZZACHSA-N 1 0 263.297 1.417 20 5 CDBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000263741874 190075973 /nfs/dbraw/zinc/07/59/73/190075973.db2.gz RNQDKONQEKKCEK-DGCLKSJQSA-N 1 0 280.324 1.676 20 5 CDBDRO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446319614 284587567 /nfs/dbraw/zinc/58/75/67/284587567.db2.gz GZBNZSHDDQHNMJ-WCQYABFASA-N 1 0 293.298 1.180 20 5 CDBDRO C[NH2+]CCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000435883372 248205799 /nfs/dbraw/zinc/20/57/99/248205799.db2.gz KEISQRZSPNPODH-LLVKDONJSA-N 1 0 279.344 1.086 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000189310239 377229051 /nfs/dbraw/zinc/22/90/51/377229051.db2.gz WORUGPVUUGBPTL-MFKMUULPSA-N 1 0 277.324 1.394 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000189306688 377229566 /nfs/dbraw/zinc/22/95/66/377229566.db2.gz YOQBBTCIYZJXFH-ZWNOBZJWSA-N 1 0 277.324 1.774 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000189314122 377231450 /nfs/dbraw/zinc/23/14/50/377231450.db2.gz KYBSZZNJAHWYGD-ZYHUDNBSSA-N 1 0 277.324 1.774 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCF)n1 ZINC000436280824 249392526 /nfs/dbraw/zinc/39/25/26/249392526.db2.gz FLKOEJBALBLYCF-NXEZZACHSA-N 1 0 256.281 1.834 20 5 CDBDRO CCC1(C)CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000441546714 249888499 /nfs/dbraw/zinc/88/84/99/249888499.db2.gz VBTJEWIFKFUXPP-CYBMUJFWSA-N 1 0 296.371 1.664 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]1CO ZINC000069841888 378895679 /nfs/dbraw/zinc/89/56/79/378895679.db2.gz HWSWNQOSVRDARQ-NSHDSACASA-N 1 0 266.297 1.430 20 5 CDBDRO COCc1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000278685460 194101544 /nfs/dbraw/zinc/10/15/44/194101544.db2.gz HAMFGTIFYWJREY-BETUJISGSA-N 1 0 291.351 1.739 20 5 CDBDRO O=CN1CCC([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000278780856 194153313 /nfs/dbraw/zinc/15/33/13/194153313.db2.gz PUXTVVRMZHQHCN-UHFFFAOYSA-N 1 0 277.324 1.348 20 5 CDBDRO COC1CC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446849081 250319208 /nfs/dbraw/zinc/31/92/08/250319208.db2.gz LLFHQUQKGOLRPK-UHFFFAOYSA-N 1 0 276.296 1.738 20 5 CDBDRO CC1(C)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000173814318 379314555 /nfs/dbraw/zinc/31/45/55/379314555.db2.gz VMBOQVLEEKJALQ-UHFFFAOYSA-N 1 0 277.324 1.926 20 5 CDBDRO C[C@H](Cn1cncn1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266834968 190283875 /nfs/dbraw/zinc/28/38/75/190283875.db2.gz FITSQDJGHMSAAF-GHMZBOCLSA-N 1 0 275.312 1.926 20 5 CDBDRO Cc1cc(C(=O)NCC(C)(C)[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000267210342 190312238 /nfs/dbraw/zinc/31/22/38/190312238.db2.gz RROZRXCHSGNELA-UHFFFAOYSA-N 1 0 294.355 1.555 20 5 CDBDRO COC(=O)[C@]1(F)CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000267705130 190348410 /nfs/dbraw/zinc/34/84/10/190348410.db2.gz VGSMRWKHHKFNBC-ZDUSSCGKSA-N 1 0 282.271 1.682 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000449640365 250945500 /nfs/dbraw/zinc/94/55/00/250945500.db2.gz SBQVVYUKRITSPP-QWRGUYRKSA-N 1 0 292.339 1.546 20 5 CDBDRO CN(C(=O)CNc1ccccc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000449682222 250967359 /nfs/dbraw/zinc/96/73/59/250967359.db2.gz XFMNQGGHMKSLIN-UHFFFAOYSA-N 1 0 292.339 1.347 20 5 CDBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)NC ZINC000449775426 251012667 /nfs/dbraw/zinc/01/26/67/251012667.db2.gz NATOJHXEJOGLJE-LLVKDONJSA-N 1 0 251.286 1.209 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](CO)CC(C)(C)C ZINC000451779616 251841996 /nfs/dbraw/zinc/84/19/96/251841996.db2.gz LXIMECLVDCWSJL-NSHDSACASA-N 1 0 284.360 1.520 20 5 CDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+](C2CC2)C1 ZINC000452574220 252098858 /nfs/dbraw/zinc/09/88/58/252098858.db2.gz VCUXNCLHXONYJV-SNVBAGLBSA-N 1 0 292.339 1.479 20 5 CDBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCC[NH2+]CC1 ZINC000037377893 285079790 /nfs/dbraw/zinc/07/97/90/285079790.db2.gz MTBPZKWZOKSFQN-UHFFFAOYSA-N 1 0 272.308 1.943 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492840481 253306419 /nfs/dbraw/zinc/30/64/19/253306419.db2.gz NCMXQIKWXHLPQI-TVRMLOFPSA-N 1 0 277.324 1.674 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000493137445 253380634 /nfs/dbraw/zinc/38/06/34/253380634.db2.gz FXCGQXOZYKOYLR-TZGMSPROSA-N 1 0 293.298 1.567 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493631379 253513044 /nfs/dbraw/zinc/51/30/44/253513044.db2.gz UCMIWNFCJYVROH-SGRBOOSSSA-N 1 0 281.287 1.601 20 5 CDBDRO C[C@@H](NC(=O)N(C)CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000417980157 533103569 /nfs/dbraw/zinc/10/35/69/533103569.db2.gz JZETUGGJKLWIPA-SECBINFHSA-N 1 0 266.301 1.256 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267447011 285166377 /nfs/dbraw/zinc/16/63/77/285166377.db2.gz ZZLFBPWALSIRPU-LBPRGKRZSA-N 1 0 292.339 1.148 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000163233368 390179165 /nfs/dbraw/zinc/17/91/65/390179165.db2.gz KRLDFLWPOBXKJD-NXEZZACHSA-N 1 0 267.304 1.903 20 5 CDBDRO COCC[C@@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000281804034 195388649 /nfs/dbraw/zinc/38/86/49/195388649.db2.gz YMVGTJSKVMVXKO-JQWIXIFHSA-N 1 0 268.313 1.643 20 5 CDBDRO CCN1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1=O ZINC000391508589 390612744 /nfs/dbraw/zinc/61/27/44/390612744.db2.gz MSIFCOVUZSHRBP-LLVKDONJSA-N 1 0 263.297 1.305 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+](C)C ZINC000127765826 390687453 /nfs/dbraw/zinc/68/74/53/390687453.db2.gz RHRVKKJHICDPTL-UHFFFAOYSA-N 1 0 251.286 1.195 20 5 CDBDRO C[NH+]1C[C@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000362666497 390856951 /nfs/dbraw/zinc/85/69/51/390856951.db2.gz QMFGTAFIKPHSHW-IUCAKERBSA-N 1 0 282.731 1.641 20 5 CDBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000415093665 391016215 /nfs/dbraw/zinc/01/62/15/391016215.db2.gz IGFRXJFMJOGDCK-NSHDSACASA-N 1 0 285.731 1.326 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000516951357 390967211 /nfs/dbraw/zinc/96/72/11/390967211.db2.gz YJXROIGYWFEJOS-WDEREUQCSA-N 1 0 279.344 1.260 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000411999295 390968939 /nfs/dbraw/zinc/96/89/39/390968939.db2.gz XJRHDGNGDSZMCK-MFKMUULPSA-N 1 0 298.314 1.611 20 5 CDBDRO CN(c1ncc([N+](=O)[O-])cc1F)C1CC[NH+](CCO)CC1 ZINC000413126542 391162408 /nfs/dbraw/zinc/16/24/08/391162408.db2.gz HVDRSGYSTUPHSX-UHFFFAOYSA-N 1 0 298.318 1.022 20 5 CDBDRO CCc1nn(C)c(N2CC[C@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000366112790 391340597 /nfs/dbraw/zinc/34/05/97/391340597.db2.gz RBTAMKHJFBSPEP-AWEZNQCLSA-N 1 0 293.371 1.423 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000415422879 391410622 /nfs/dbraw/zinc/41/06/22/391410622.db2.gz XKPKSAHZZKFRLG-SECBINFHSA-N 1 0 280.328 1.880 20 5 CDBDRO COc1ccc(NC(=O)NC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000415444029 391441216 /nfs/dbraw/zinc/44/12/16/391441216.db2.gz RBSYAOWBVCAHBZ-UHFFFAOYSA-N 1 0 282.300 1.462 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C)C[NH3+] ZINC000415496198 391467628 /nfs/dbraw/zinc/46/76/28/391467628.db2.gz GNMOYMPVDQYBOZ-QMMMGPOBSA-N 1 0 266.301 1.620 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[NH3+] ZINC000415581636 391467700 /nfs/dbraw/zinc/46/77/00/391467700.db2.gz NSEHXJZJESZKFB-UHFFFAOYSA-N 1 0 252.274 1.292 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000415492505 391467904 /nfs/dbraw/zinc/46/79/04/391467904.db2.gz CFAIQXCOKZMTMJ-SECBINFHSA-N 1 0 296.327 1.580 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H](C)C[NH3+] ZINC000415664566 391471775 /nfs/dbraw/zinc/47/17/75/391471775.db2.gz UGFPSLRAPZMMPN-SECBINFHSA-N 1 0 296.327 1.804 20 5 CDBDRO C[C@H]1C[N@H+](C)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000344366039 391646750 /nfs/dbraw/zinc/64/67/50/391646750.db2.gz BXAZDJOCOLCVPV-VIFPVBQESA-N 1 0 253.277 1.874 20 5 CDBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000191727175 391668218 /nfs/dbraw/zinc/66/82/18/391668218.db2.gz ZBBJFVYNBWJERO-UHFFFAOYSA-N 1 0 281.312 1.171 20 5 CDBDRO C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000341921786 130131364 /nfs/dbraw/zinc/13/13/64/130131364.db2.gz UZUJNGGFZIHESV-MJVIPROJSA-N 1 0 291.351 1.970 20 5 CDBDRO Cc1cc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000320013998 391981870 /nfs/dbraw/zinc/98/18/70/391981870.db2.gz AJQMHFOLYXWZIR-NXEZZACHSA-N 1 0 265.313 1.759 20 5 CDBDRO Cc1ccc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000235388788 130948942 /nfs/dbraw/zinc/94/89/42/130948942.db2.gz UBQONSLGATXAJA-PWSUYJOCSA-N 1 0 277.324 1.774 20 5 CDBDRO CCNC(=O)C(C)(C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000459567916 392470019 /nfs/dbraw/zinc/47/00/19/392470019.db2.gz YOQMRGTZYAQAIR-UHFFFAOYSA-N 1 0 295.339 1.478 20 5 CDBDRO CCOC[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000459716262 392500938 /nfs/dbraw/zinc/50/09/38/392500938.db2.gz PXUAYDWVHDYCNY-LBPRGKRZSA-N 1 0 282.344 1.682 20 5 CDBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000549372476 392572303 /nfs/dbraw/zinc/57/23/03/392572303.db2.gz SXZWPGVGKRCZQX-JTQLQIEISA-N 1 0 295.343 1.168 20 5 CDBDRO Cc1nc(N(C)CC[C@H]([NH3+])C(C)C)ncc1[N+](=O)[O-] ZINC000420207356 392903747 /nfs/dbraw/zinc/90/37/47/392903747.db2.gz QNMQBGGGCXHYPM-JTQLQIEISA-N 1 0 267.333 1.503 20 5 CDBDRO CC[NH2+]CC1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000420218372 392906822 /nfs/dbraw/zinc/90/68/22/392906822.db2.gz WLZVUKBXJMLXCL-UHFFFAOYSA-N 1 0 279.344 1.519 20 5 CDBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000521142397 392865248 /nfs/dbraw/zinc/86/52/48/392865248.db2.gz LWDUFCZFSCUJOK-UHFFFAOYSA-N 1 0 294.355 1.869 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC[C@H]3CCOC3)CC2)n1 ZINC000425966077 393033270 /nfs/dbraw/zinc/03/32/70/393033270.db2.gz KLGAYTPFSQOFJE-LBPRGKRZSA-N 1 0 294.355 1.855 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1CO ZINC000430222588 393092976 /nfs/dbraw/zinc/09/29/76/393092976.db2.gz WIHLKLOSRBLANM-GFCCVEGCSA-N 1 0 266.297 1.560 20 5 CDBDRO C[C@](C[NH3+])(NCc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000430597177 393102732 /nfs/dbraw/zinc/10/27/32/393102732.db2.gz PXGYDRFBMBGGHH-CYBMUJFWSA-N 1 0 267.304 1.951 20 5 CDBDRO C[N@H+](CCCn1ccnc1)CCn1cc([N+](=O)[O-])cn1 ZINC000124369164 393129874 /nfs/dbraw/zinc/12/98/74/393129874.db2.gz QTSTUBJGOJDONJ-UHFFFAOYSA-N 1 0 278.316 1.010 20 5 CDBDRO [NH3+]C1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC000449274876 393132139 /nfs/dbraw/zinc/13/21/39/393132139.db2.gz HZJIEDIJUIWXOV-UHFFFAOYSA-N 1 0 275.308 1.361 20 5 CDBDRO CCOc1cccc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000278801051 393143151 /nfs/dbraw/zinc/14/31/51/393143151.db2.gz RCBKKGFGKLNWOW-TXEJJXNPSA-N 1 0 291.351 1.991 20 5 CDBDRO CC[NH2+]CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493702760 393218660 /nfs/dbraw/zinc/21/86/60/393218660.db2.gz CKWFUWYFOKBRIQ-XQRVVYSFSA-N 1 0 281.287 1.473 20 5 CDBDRO Cc1cc(C(=O)NC2CCC([NH3+])CC2)cc([N+](=O)[O-])c1 ZINC000135222440 139886134 /nfs/dbraw/zinc/88/61/34/139886134.db2.gz UFQALHGHSKUBPR-UHFFFAOYSA-N 1 0 277.324 1.903 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C[NH3+])C1CC1 ZINC000159876286 139906414 /nfs/dbraw/zinc/90/64/14/139906414.db2.gz OAGFXUJLUVUZAA-GFCCVEGCSA-N 1 0 263.297 1.404 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235441231 140235330 /nfs/dbraw/zinc/23/53/30/140235330.db2.gz QURAXTKGVMRJLR-LDYMZIIASA-N 1 0 281.287 1.604 20 5 CDBDRO [NH3+][C@H](CNc1ncc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000236313295 140240205 /nfs/dbraw/zinc/24/02/05/140240205.db2.gz URQYODJTKSOZCP-SECBINFHSA-N 1 0 256.693 1.792 20 5 CDBDRO CC[NH2+]CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000261560695 140347909 /nfs/dbraw/zinc/34/79/09/140347909.db2.gz FKNMHPIGKKEFPK-UHFFFAOYSA-N 1 0 267.314 1.621 20 5 CDBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2CC[NH2+]C2)s1 ZINC000261581139 140354605 /nfs/dbraw/zinc/35/46/05/140354605.db2.gz FVEIHSCRGCPIHA-SSDOTTSWSA-N 1 0 279.325 1.621 20 5 CDBDRO COC[C@]1(CNc2nc(C)ccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261703360 140377461 /nfs/dbraw/zinc/37/74/61/140377461.db2.gz IRZXUJQJRZASCL-CYBMUJFWSA-N 1 0 280.328 1.479 20 5 CDBDRO COC[C@@]1(CNc2cc(C)c([N+](=O)[O-])cn2)CCC[NH2+]1 ZINC000261708281 140378842 /nfs/dbraw/zinc/37/88/42/140378842.db2.gz JDFVQUMGYGNCNX-ZDUSSCGKSA-N 1 0 280.328 1.479 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261770297 140386317 /nfs/dbraw/zinc/38/63/17/140386317.db2.gz VYEZZQQAWMHFGA-AWEZNQCLSA-N 1 0 292.339 1.204 20 5 CDBDRO COc1ccc(C[NH2+]CCc2ccn(C)n2)cc1[N+](=O)[O-] ZINC000230881467 397606638 /nfs/dbraw/zinc/60/66/38/397606638.db2.gz WAWONHXJXARJMO-UHFFFAOYSA-N 1 0 290.323 1.669 20 5 CDBDRO CCC[NH2+]CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000054267493 146869151 /nfs/dbraw/zinc/86/91/51/146869151.db2.gz UBOPYSMJRPULKB-UHFFFAOYSA-N 1 0 269.330 1.716 20 5 CDBDRO COc1cc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000154149799 289196040 /nfs/dbraw/zinc/19/60/40/289196040.db2.gz KLLNUOVNUQAXLI-MWLCHTKSSA-N 1 0 293.323 1.555 20 5 CDBDRO COc1cc(C[N@@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000352416905 155174044 /nfs/dbraw/zinc/17/40/44/155174044.db2.gz LWUYZALCPUXOIF-SNVBAGLBSA-N 1 0 252.270 1.170 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@H+](C[C@H]2CCOC2)C2CC2)n1 ZINC000176209358 148027385 /nfs/dbraw/zinc/02/73/85/148027385.db2.gz XCQMDNSTDMUYQY-LLVKDONJSA-N 1 0 280.328 1.292 20 5 CDBDRO CCOc1ccc(C(=O)NC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000262503740 149070254 /nfs/dbraw/zinc/07/02/54/149070254.db2.gz IOFIBRKBTTYNNV-UHFFFAOYSA-N 1 0 293.323 1.475 20 5 CDBDRO Nc1cc(N)[nH+]c(SCc2ccc([N+](=O)[O-])cc2F)n1 ZINC000313460097 149244350 /nfs/dbraw/zinc/24/43/50/149244350.db2.gz DCVRTBSRTXJSCJ-UHFFFAOYSA-N 1 0 295.299 1.981 20 5 CDBDRO O=C(NCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000343138904 152046941 /nfs/dbraw/zinc/04/69/41/152046941.db2.gz OQQKZPJUHLNNSS-UHFFFAOYSA-N 1 0 266.301 1.139 20 5 CDBDRO C[C@H]1[C@H](Nc2c([N+](=O)[O-])ncn2C)CCC[N@@H+]1C ZINC000343451221 152182910 /nfs/dbraw/zinc/18/29/10/152182910.db2.gz FTZQHSRFCMGIGU-DTWKUNHWSA-N 1 0 253.306 1.223 20 5 CDBDRO CCc1nn(C)c(N[C@H]2CCC[N@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000343604895 152241014 /nfs/dbraw/zinc/24/10/14/152241014.db2.gz NYINBAOQLJUXJO-ONGXEEELSA-N 1 0 281.360 1.785 20 5 CDBDRO COc1ccc(C[N@H+](C)[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000352679392 155358376 /nfs/dbraw/zinc/35/83/76/155358376.db2.gz ZRPWMUOOLUCUKQ-YPMHNXCESA-N 1 0 280.324 1.949 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H]([NH3+])C1 ZINC000346080378 153045357 /nfs/dbraw/zinc/04/53/57/153045357.db2.gz CXCKAILECUOLCG-LLVKDONJSA-N 1 0 292.339 1.265 20 5 CDBDRO CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000346710799 153284375 /nfs/dbraw/zinc/28/43/75/153284375.db2.gz TWLLDBGOAAGKCP-UHFFFAOYSA-N 1 0 280.328 1.101 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCOC1C[NH2+]C1 ZINC000349059777 154042037 /nfs/dbraw/zinc/04/20/37/154042037.db2.gz UOPXIGBSMHHQNU-UHFFFAOYSA-N 1 0 279.296 1.220 20 5 CDBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000352129268 154974429 /nfs/dbraw/zinc/97/44/29/154974429.db2.gz OVPZJPHMKDHWNA-AWEZNQCLSA-N 1 0 295.339 1.027 20 5 CDBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H](C)O ZINC000352213463 155026881 /nfs/dbraw/zinc/02/68/81/155026881.db2.gz VBVZMWHVWBAPQN-JTQLQIEISA-N 1 0 296.323 1.664 20 5 CDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000359296053 158204127 /nfs/dbraw/zinc/20/41/27/158204127.db2.gz QTVUBMZVEAUEQZ-GFCCVEGCSA-N 1 0 291.351 1.690 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359461393 158254587 /nfs/dbraw/zinc/25/45/87/158254587.db2.gz YRMQHQBJYUUGFI-CHWSQXEVSA-N 1 0 261.325 1.554 20 5 CDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000374303202 160271905 /nfs/dbraw/zinc/27/19/05/160271905.db2.gz SNUTXBXMPLCPIH-LBPRGKRZSA-N 1 0 289.335 1.926 20 5 CDBDRO COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000038049702 174060935 /nfs/dbraw/zinc/06/09/35/174060935.db2.gz CCQRZMRHWACUHO-GHMZBOCLSA-N 1 0 293.323 1.603 20 5 CDBDRO CSCC[C@H]([NH3+])C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000040467572 174275542 /nfs/dbraw/zinc/27/55/42/174275542.db2.gz IHHPORMQKLKVOB-NSHDSACASA-N 1 0 297.380 1.634 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1CC[NH2+]CC1 ZINC000044503639 175186768 /nfs/dbraw/zinc/18/67/68/175186768.db2.gz ADTGEWIJDVDZSW-UHFFFAOYSA-N 1 0 277.324 1.633 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](C)C1 ZINC000044537969 175200053 /nfs/dbraw/zinc/20/00/53/175200053.db2.gz FGKMCLUOHLSOPS-VIFPVBQESA-N 1 0 253.306 1.082 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000044559189 175204153 /nfs/dbraw/zinc/20/41/53/175204153.db2.gz IPANBCNFLYQPRE-AWEZNQCLSA-N 1 0 263.341 1.951 20 5 CDBDRO CNc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000221247920 261371071 /nfs/dbraw/zinc/37/10/71/261371071.db2.gz MJXIHDKPURHCKD-LLVKDONJSA-N 1 0 292.339 1.461 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000516651759 261682619 /nfs/dbraw/zinc/68/26/19/261682619.db2.gz IIFMRMGATFOKGO-HTQZYQBOSA-N 1 0 295.295 1.179 20 5 CDBDRO C[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)[NH+](C)C ZINC000278182411 274492111 /nfs/dbraw/zinc/49/21/11/274492111.db2.gz DDIZSUHUFMNYEC-SECBINFHSA-N 1 0 264.329 1.925 20 5 CDBDRO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000042509321 270225729 /nfs/dbraw/zinc/22/57/29/270225729.db2.gz JIAHHWVDQOGEEM-NSHDSACASA-N 1 0 277.324 1.809 20 5 CDBDRO CCOc1cc(NC[C@@H]2C[NH2+]CCN2C)ccc1[N+](=O)[O-] ZINC000394827483 270339471 /nfs/dbraw/zinc/33/94/71/270339471.db2.gz SAOGPJNGUQPVTI-LBPRGKRZSA-N 1 0 294.355 1.309 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094342452 273782358 /nfs/dbraw/zinc/78/23/58/273782358.db2.gz XHTMESFHKMQWHK-SCZZXKLOSA-N 1 0 267.333 1.293 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1COCCO1)CCC2 ZINC000447533418 275038506 /nfs/dbraw/zinc/03/85/06/275038506.db2.gz RJNILEZTGARVJH-DZGCQCFKSA-N 1 0 292.335 1.977 20 5 CDBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc(N)cc3[N+](=O)[O-])C2)C1 ZINC000292225331 277160938 /nfs/dbraw/zinc/16/09/38/277160938.db2.gz IITPAMVAVIAHQP-CQSZACIVSA-N 1 0 276.340 1.709 20 5 CDBDRO C[NH2+][C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000053204775 277300394 /nfs/dbraw/zinc/30/03/94/277300394.db2.gz HYLMKSASHIWCPJ-JTQLQIEISA-N 1 0 253.277 1.922 20 5 CDBDRO COc1cc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000165983346 277797931 /nfs/dbraw/zinc/79/79/31/277797931.db2.gz NDFXJGKKPIVDPX-ONGXEEELSA-N 1 0 293.323 1.413 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000063192395 278317170 /nfs/dbraw/zinc/31/71/70/278317170.db2.gz FXPJOUQCLOTRSU-PSASIEDQSA-N 1 0 283.353 1.998 20 5 CDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)C1=CC[N@H+](C)CC1 ZINC000357934739 278330871 /nfs/dbraw/zinc/33/08/71/278330871.db2.gz HTGPUPHCHPTBHK-SNVBAGLBSA-N 1 0 292.339 1.314 20 5 CDBDRO C[C@@H]1[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000262826383 279037291 /nfs/dbraw/zinc/03/72/91/279037291.db2.gz UBXCPCZQTHICPH-UWVGGRQHSA-N 1 0 263.297 1.417 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000076925364 279227968 /nfs/dbraw/zinc/22/79/68/279227968.db2.gz QTVSBXKTEWMXRP-AWEZNQCLSA-N 1 0 291.351 1.973 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417146148 279261371 /nfs/dbraw/zinc/26/13/71/279261371.db2.gz XSVNTAVTPMYZAU-NXEZZACHSA-N 1 0 280.328 1.692 20 5 CDBDRO [NH3+]C1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000102385829 279292284 /nfs/dbraw/zinc/29/22/84/279292284.db2.gz VVWJAQLHFRFONF-UHFFFAOYSA-N 1 0 267.314 1.232 20 5 CDBDRO O=C(C[C@@H]1CC[NH2+]C1)NCCNc1ccccc1[N+](=O)[O-] ZINC000127860421 279545655 /nfs/dbraw/zinc/54/56/55/279545655.db2.gz GZEOAJJUEKNUPZ-NSHDSACASA-N 1 0 292.339 1.123 20 5 CDBDRO C[C@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000423996748 279706854 /nfs/dbraw/zinc/70/68/54/279706854.db2.gz KQYXGQHCSMZZOT-VHSXEESVSA-N 1 0 292.339 1.234 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000216996915 280088068 /nfs/dbraw/zinc/08/80/68/280088068.db2.gz MAXLYXXSEWMJFJ-DMTLFAOVSA-N 1 0 277.324 1.708 20 5 CDBDRO Cc1n[nH]c(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000424084236 280189430 /nfs/dbraw/zinc/18/94/30/280189430.db2.gz YPPYBUKFTDOABF-XKSSXDPKSA-N 1 0 295.343 1.072 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000228163744 281013460 /nfs/dbraw/zinc/01/34/60/281013460.db2.gz VQNJSSLAUXJAHK-VHSXEESVSA-N 1 0 250.302 1.472 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000362654338 281014567 /nfs/dbraw/zinc/01/45/67/281014567.db2.gz GQYGNMZHQKRMMY-RYUDHWBXSA-N 1 0 261.325 1.901 20 5 CDBDRO Cc1cnc(N2C[C@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000228084802 281613755 /nfs/dbraw/zinc/61/37/55/281613755.db2.gz NYJVRUWWENGGEX-ZJUUUORDSA-N 1 0 250.302 1.472 20 5 CDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000159380361 292757817 /nfs/dbraw/zinc/75/78/17/292757817.db2.gz PJKVMSKRJGQNRP-DUXPYHPUSA-N 1 0 279.271 1.179 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000036976678 290004366 /nfs/dbraw/zinc/00/43/66/290004366.db2.gz RLQVMCSAQPQMQI-GXFFZTMASA-N 1 0 277.324 1.914 20 5 CDBDRO CN(CCC[NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000557140388 290330887 /nfs/dbraw/zinc/33/08/87/290330887.db2.gz DZFYSJCXPNIMBC-UHFFFAOYSA-N 1 0 266.301 1.085 20 5 CDBDRO [NH3+]CCCCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000564989942 293482772 /nfs/dbraw/zinc/48/27/72/293482772.db2.gz MRZOSYFFKKWVTD-UHFFFAOYSA-N 1 0 263.297 1.613 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2C[C@H]2C2CCC2)c1 ZINC000567693493 293842063 /nfs/dbraw/zinc/84/20/63/293842063.db2.gz ULNYLHIZNXGEBU-YUTCNCBUSA-N 1 0 294.355 1.178 20 5 CDBDRO C[C@H]([NH2+]C1CC1)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000574877396 295068143 /nfs/dbraw/zinc/06/81/43/295068143.db2.gz IRSFCWBHZVKWJT-VIFPVBQESA-N 1 0 290.323 1.015 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000449727923 295258278 /nfs/dbraw/zinc/25/82/78/295258278.db2.gz SIXAYDKEKXLDMI-CHWSQXEVSA-N 1 0 291.351 1.771 20 5 CDBDRO C[C@H]1C[N@H+](C)C[C@@H]1c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351139291 316239684 /nfs/dbraw/zinc/23/96/84/316239684.db2.gz ACINQCNGPASGRM-YUMQZZPRSA-N 1 0 278.268 1.903 20 5 CDBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000576615401 317174144 /nfs/dbraw/zinc/17/41/44/317174144.db2.gz GVWHEBUATHSZCX-RISCZKNCSA-N 1 0 284.319 1.941 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000577652294 317378602 /nfs/dbraw/zinc/37/86/02/317378602.db2.gz HCVLIUJPSCTRRS-VHSXEESVSA-N 1 0 281.360 1.648 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000389756436 323809952 /nfs/dbraw/zinc/80/99/52/323809952.db2.gz QUAQQORBGLVFII-QDDUCLRZSA-N 1 0 289.335 1.722 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000389835896 323812199 /nfs/dbraw/zinc/81/21/99/323812199.db2.gz KKELBAOSFSRWDP-QRWLWRBWSA-N 1 0 289.335 1.722 20 5 CDBDRO COc1cc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc([N+](=O)[O-])c1C ZINC000579356782 324166548 /nfs/dbraw/zinc/16/65/48/324166548.db2.gz OKCWNMCWLBLGPW-IUCAKERBSA-N 1 0 295.339 1.767 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[NH2+]C1 ZINC000580445104 324467855 /nfs/dbraw/zinc/46/78/55/324467855.db2.gz JKMMDFSGWKOJPP-ZDUSSCGKSA-N 1 0 279.340 1.787 20 5 CDBDRO C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000163525920 483170261 /nfs/dbraw/zinc/17/02/61/483170261.db2.gz UUEBVOLALIEWMB-WCQYABFASA-N 1 0 291.351 1.581 20 5 CDBDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037997191 522153776 /nfs/dbraw/zinc/15/37/76/522153776.db2.gz ILWCTGIVNWRIIF-LLVKDONJSA-N 1 0 279.340 1.989 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000338424364 519619170 /nfs/dbraw/zinc/61/91/70/519619170.db2.gz WIKNMPPJBLLIRR-UHFFFAOYSA-N 1 0 295.339 1.430 20 5 CDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000050708748 519793461 /nfs/dbraw/zinc/79/34/61/519793461.db2.gz XIEMZXLRWNKLCX-GFCCVEGCSA-N 1 0 294.355 1.493 20 5 CDBDRO CC1(CNc2ncc([N+](=O)[O-])s2)CC[NH2+]CC1 ZINC000226783974 520737694 /nfs/dbraw/zinc/73/76/94/520737694.db2.gz PNGDPTOAWLTDNJ-UHFFFAOYSA-N 1 0 256.331 1.853 20 5 CDBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)C[C@@H]1C ZINC000354355167 521715008 /nfs/dbraw/zinc/71/50/08/521715008.db2.gz XQCMOHCBFCILPS-VHSXEESVSA-N 1 0 294.359 1.106 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000068554540 522095729 /nfs/dbraw/zinc/09/57/29/522095729.db2.gz BUXZVSACGQOOHY-AWEZNQCLSA-N 1 0 293.367 2.000 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417952730 534710232 /nfs/dbraw/zinc/71/02/32/534710232.db2.gz YPRGJOOUITXELW-GFCCVEGCSA-N 1 0 292.339 1.270 20 5 CDBDRO Cc1cccc(C(=O)NCC[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000063170351 524194998 /nfs/dbraw/zinc/19/49/98/524194998.db2.gz YLGJFZCNGXIOOR-VIFPVBQESA-N 1 0 251.286 1.370 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000163522401 524487598 /nfs/dbraw/zinc/48/75/98/524487598.db2.gz DFGRSCBMSQLWMC-PWSUYJOCSA-N 1 0 277.324 1.652 20 5 CDBDRO Cc1ccc(C[NH2+]CC(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000035257365 524572618 /nfs/dbraw/zinc/57/26/18/524572618.db2.gz PWCHMCXOGFJNIX-UHFFFAOYSA-N 1 0 263.297 1.271 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000063170452 524832333 /nfs/dbraw/zinc/83/23/33/524832333.db2.gz DGSOLSANQJETGE-ZETCQYMHSA-N 1 0 271.704 1.715 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH3+] ZINC000237190401 525456022 /nfs/dbraw/zinc/45/60/22/525456022.db2.gz OVNMWVXOVUPPGS-UHFFFAOYSA-N 1 0 267.285 1.071 20 5 CDBDRO [NH3+]C[C@H](Nc1ccc([N+](=O)[O-])nc1)C1CCCC1 ZINC000236223908 527228888 /nfs/dbraw/zinc/22/88/88/527228888.db2.gz IXBCQHLXPFXHIH-NSHDSACASA-N 1 0 250.302 1.919 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H](CO)C2)cc1 ZINC000304315434 527373117 /nfs/dbraw/zinc/37/31/17/527373117.db2.gz RLUNSVGSZIWRCF-NSHDSACASA-N 1 0 266.297 1.288 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCF)CC2)n1 ZINC000365850531 527407216 /nfs/dbraw/zinc/40/72/16/527407216.db2.gz SZFAMKKJZMTWOP-UHFFFAOYSA-N 1 0 256.281 1.788 20 5 CDBDRO CC[C@H]([NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423724750 536138101 /nfs/dbraw/zinc/13/81/01/536138101.db2.gz NGVYUEREULCTAM-ZDUSSCGKSA-N 1 0 277.324 1.823 20 5 CDBDRO CN(CC[NH3+])C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000424011175 536367195 /nfs/dbraw/zinc/36/71/95/536367195.db2.gz QHABAIHXMBESRJ-UHFFFAOYSA-N 1 0 278.312 1.200 20 5 CDBDRO C[NH2+][C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000261781819 536412445 /nfs/dbraw/zinc/41/24/45/536412445.db2.gz PJKFOQAHCKKANX-LBPRGKRZSA-N 1 0 279.340 1.657 20 5 CDBDRO COc1ccc(NC(=O)C2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000261596923 536756019 /nfs/dbraw/zinc/75/60/19/536756019.db2.gz XWDDPFDFVZZYJM-UHFFFAOYSA-N 1 0 279.296 1.813 20 5 CDBDRO COCC[N@@H+]1CC[C@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000328442718 536878686 /nfs/dbraw/zinc/87/86/86/536878686.db2.gz BAGLZRXLCRKPFT-JTQLQIEISA-N 1 0 283.303 1.867 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000415503504 536887087 /nfs/dbraw/zinc/88/70/87/536887087.db2.gz OJVGSMUTQQJNRG-JTQLQIEISA-N 1 0 294.311 1.462 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000768528295 576293505 /nfs/dbraw/zinc/29/35/05/576293505.db2.gz XMKOYOANBBOYAS-GHMZBOCLSA-N 1 0 289.339 1.771 20 5 CDBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC(O)C1 ZINC000759873428 576440059 /nfs/dbraw/zinc/44/00/59/576440059.db2.gz NKSGLOVSXBAAEU-BPCQOVAHSA-N 1 0 266.297 1.083 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCCOC2)c1 ZINC000749689239 576958054 /nfs/dbraw/zinc/95/80/54/576958054.db2.gz NMAXLSOFDABEAZ-RISCZKNCSA-N 1 0 280.324 1.644 20 5 CDBDRO C[C@H]1COCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750117881 576976472 /nfs/dbraw/zinc/97/64/72/576976472.db2.gz WCBLSUDOLFXBKK-SMDDNHRTSA-N 1 0 280.324 1.739 20 5 CDBDRO C[NH+](C)CCSc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821587148 606761732 /nfs/dbraw/zinc/76/17/32/606761732.db2.gz JBKDKHCPWHGBRP-UHFFFAOYSA-N 1 0 294.340 1.429 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNc1c([N+](=O)[O-])cnn1C ZINC000892285460 617693779 /nfs/dbraw/zinc/69/37/79/617693779.db2.gz XJILMNKGWAPRKI-SECBINFHSA-N 1 0 255.322 1.471 20 5 CDBDRO CC(C)[N@H+](C)CC1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000891913020 617761356 /nfs/dbraw/zinc/76/13/56/617761356.db2.gz PHBXYSMXRDHYGT-UHFFFAOYSA-N 1 0 295.387 1.885 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)COC(C)=O ZINC000892939544 617933664 /nfs/dbraw/zinc/93/36/64/617933664.db2.gz RRTUTLFPMKXIJE-SECBINFHSA-N 1 0 282.296 1.645 20 5 CDBDRO CN(CC[NH+]1CCCCC1)c1c([N+](=O)[O-])cnn1C ZINC000894355837 618816257 /nfs/dbraw/zinc/81/62/57/618816257.db2.gz AXYJPRZFXNQRQJ-UHFFFAOYSA-N 1 0 267.333 1.250 20 5 CDBDRO CCC[C@H]1CN(c2c([N+](=O)[O-])c(CC)nn2C)CC[NH2+]1 ZINC000895058715 619242564 /nfs/dbraw/zinc/24/25/64/619242564.db2.gz NWFXKEWMJOYPGG-JTQLQIEISA-N 1 0 281.360 1.469 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000041028714 621613888 /nfs/dbraw/zinc/61/38/88/621613888.db2.gz NTJWUBFZJRXHNR-SECBINFHSA-N 1 0 264.285 1.550 20 5 CDBDRO CCCOc1ccc(C[NH2+]CC[N+](=O)[O-])cc1OC ZINC000899870961 622496251 /nfs/dbraw/zinc/49/62/51/622496251.db2.gz PDKGLMNRBMBSEV-UHFFFAOYSA-N 1 0 268.313 1.850 20 5 CDBDRO COCC[C@@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])c(C)c1 ZINC000900438568 623057795 /nfs/dbraw/zinc/05/77/95/623057795.db2.gz ISAXXWLRCMQUHV-CYBMUJFWSA-N 1 0 279.340 1.718 20 5 CDBDRO NOCCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000902420454 624787039 /nfs/dbraw/zinc/78/70/39/624787039.db2.gz WOAHVGRLTBLMNB-CYBMUJFWSA-N 1 0 279.340 1.786 20 5 CDBDRO COc1ccc(CN2CC[C@H]3CC[C@@]32C[NH3+])cc1[N+](=O)[O-] ZINC000903858350 626119594 /nfs/dbraw/zinc/11/95/94/626119594.db2.gz XQFMEOBJKIMUGO-IUODEOHRSA-N 1 0 291.351 1.917 20 5 CDBDRO COC[C@H]1C[NH2+]CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000903874975 626128868 /nfs/dbraw/zinc/12/88/68/626128868.db2.gz BBBPKRLNVJPRLF-CQSZACIVSA-N 1 0 279.340 1.058 20 5 CDBDRO COc1ccc2[nH]cc(CC[NH2+]CC[N+](=O)[O-])c2c1 ZINC000905111578 626625719 /nfs/dbraw/zinc/62/57/19/626625719.db2.gz VCWWDGRGGOIEBD-UHFFFAOYSA-N 1 0 263.297 1.585 20 5 CDBDRO C[C@]1(CNCC[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000905243554 626700488 /nfs/dbraw/zinc/70/04/88/626700488.db2.gz JZZWZAFWUUVYBH-OAHLLOKOSA-N 1 0 277.368 1.765 20 5 CDBDRO COc1cc(NCC[N+](=O)[O-])ccc1OCC[NH+](C)C ZINC000905346384 626760414 /nfs/dbraw/zinc/76/04/14/626760414.db2.gz QCSGLLZHEQFXII-UHFFFAOYSA-N 1 0 283.328 1.324 20 5 CDBDRO COCC1C[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000905970083 627060476 /nfs/dbraw/zinc/06/04/76/627060476.db2.gz GFZAVKHEKVTSPY-CYBMUJFWSA-N 1 0 266.297 1.206 20 5 CDBDRO Cc1cn(CC[C@H]2CCCC[N@H+]2C)nc1[N+](=O)[O-] ZINC000906508414 627295535 /nfs/dbraw/zinc/29/55/35/627295535.db2.gz XJHCMJHGHKZPKB-LLVKDONJSA-N 1 0 252.318 1.974 20 5 CDBDRO CN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000911788923 629513918 /nfs/dbraw/zinc/51/39/18/629513918.db2.gz TVBUUYFNWMUXGW-MELADBBJSA-N 1 0 289.335 1.519 20 5 CDBDRO CC(C)C[NH+]1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881757704 693938204 /nfs/dbraw/zinc/93/82/04/693938204.db2.gz FRMIGVMIOKNAJV-UHFFFAOYSA-N 1 0 282.319 1.907 20 5 CDBDRO C[C@]1(O)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592621 693975954 /nfs/dbraw/zinc/97/59/54/693975954.db2.gz QZUUMXFZINNBJB-STQMWFEESA-N 1 0 266.297 1.085 20 5 CDBDRO COC[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582757 694020601 /nfs/dbraw/zinc/02/06/01/694020601.db2.gz BPFORVJJVABCBI-SMDDNHRTSA-N 1 0 280.324 1.597 20 5 CDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H]1OCCc2sccc21 ZINC000930560702 694045646 /nfs/dbraw/zinc/04/56/46/694045646.db2.gz NCCXJCHFYBJBIF-KCJUWKMLSA-N 1 0 256.327 1.617 20 5 CDBDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000932645681 694075024 /nfs/dbraw/zinc/07/50/24/694075024.db2.gz BTVWBAIMTFRPBG-GFCCVEGCSA-N 1 0 278.308 1.980 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000882487862 694099988 /nfs/dbraw/zinc/09/99/88/694099988.db2.gz KMWOPQNUAZOMJX-LLVKDONJSA-N 1 0 277.324 1.727 20 5 CDBDRO C[NH+](C)CCCOC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838284576 694113648 /nfs/dbraw/zinc/11/36/48/694113648.db2.gz KKBHQJYNFJJCPE-LBPRGKRZSA-N 1 0 282.296 1.123 20 5 CDBDRO CCn1ncnc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819279817 688226703 /nfs/dbraw/zinc/22/67/03/688226703.db2.gz RTUAOBWMLBTNHS-LBPRGKRZSA-N 1 0 291.311 1.029 20 5 CDBDRO O=C(NCC[NH+]1CCC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935045035 688249704 /nfs/dbraw/zinc/24/97/04/688249704.db2.gz DQMRMUPQEYCCAR-ZIAGYGMSSA-N 1 0 289.335 1.520 20 5 CDBDRO C[C@H]1CN(Cc2cccnc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000886839722 688256203 /nfs/dbraw/zinc/25/62/03/688256203.db2.gz KZNUUPUVEPGJHH-UWVGGRQHSA-N 1 0 250.302 1.172 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC000792878359 688314707 /nfs/dbraw/zinc/31/47/07/688314707.db2.gz VXSAHIXXIVTOER-NSHDSACASA-N 1 0 281.268 1.364 20 5 CDBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cnnn1C ZINC000924956192 688402328 /nfs/dbraw/zinc/40/23/28/688402328.db2.gz VHBZPOPPCVQJEW-SNVBAGLBSA-N 1 0 275.312 1.617 20 5 CDBDRO C[C@@H](NC(=O)NC[C@H](C)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000922742199 688433715 /nfs/dbraw/zinc/43/37/15/688433715.db2.gz GZIBIUMOZDDHKX-WDEREUQCSA-N 1 0 294.355 1.905 20 5 CDBDRO C[NH+](C)C(C)(C)CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823789663 688466004 /nfs/dbraw/zinc/46/60/04/688466004.db2.gz OGWJZWVEPPMUOX-GFCCVEGCSA-N 1 0 295.339 1.085 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000785798952 688470974 /nfs/dbraw/zinc/47/09/74/688470974.db2.gz ZPPKDRIHPJBBFK-NXEZZACHSA-N 1 0 283.353 1.931 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2cnn(CC3CC[NH2+]CC3)c2)cn1 ZINC000863716892 688515750 /nfs/dbraw/zinc/51/57/50/688515750.db2.gz LZIPEQXXQJQJFY-UHFFFAOYSA-N 1 0 287.323 1.853 20 5 CDBDRO C[NH2+]CCc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000822790813 688609692 /nfs/dbraw/zinc/60/96/92/688609692.db2.gz MBHUTBZFXICFLN-UHFFFAOYSA-N 1 0 291.311 1.394 20 5 CDBDRO Cc1c(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000313593929 688699638 /nfs/dbraw/zinc/69/96/38/688699638.db2.gz VBSBVGMBVQDBBM-ZYHUDNBSSA-N 1 0 298.364 1.568 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000111303074 688707762 /nfs/dbraw/zinc/70/77/62/688707762.db2.gz ZCAYDJGOUVFMPB-ZCFIWIBFSA-N 1 0 257.677 1.325 20 5 CDBDRO C[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000776274538 688796457 /nfs/dbraw/zinc/79/64/57/688796457.db2.gz DVBWFQSMSYYVIV-JTNHKYCSSA-N 1 0 280.324 1.737 20 5 CDBDRO C[C@@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])[NH+](C)C ZINC000864828210 694286353 /nfs/dbraw/zinc/28/63/53/694286353.db2.gz OSYZPJZTIAIRHO-VIFPVBQESA-N 1 0 283.303 1.343 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1CC[NH2+]C1 ZINC000841233280 694321377 /nfs/dbraw/zinc/32/13/77/694321377.db2.gz PWAHOPORQDKTBN-ZETCQYMHSA-N 1 0 284.703 1.732 20 5 CDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCC(=O)O1 ZINC000852037797 694329271 /nfs/dbraw/zinc/32/92/71/694329271.db2.gz ANOAPEWVOBOZNS-LBPRGKRZSA-N 1 0 278.308 1.775 20 5 CDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)OCCC[NH+]1CCCC1 ZINC000800154105 694371194 /nfs/dbraw/zinc/37/11/94/694371194.db2.gz KOGNFIILIJRSCF-UHFFFAOYSA-N 1 0 296.327 1.129 20 5 CDBDRO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000886116971 694383332 /nfs/dbraw/zinc/38/33/32/694383332.db2.gz WIRPIBVFJFCPOZ-DGCLKSJQSA-N 1 0 279.340 1.973 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCOC[C@H]2O)c1 ZINC000706733406 692121080 /nfs/dbraw/zinc/12/10/80/692121080.db2.gz HTWAOELXQUELEV-VXGBXAGGSA-N 1 0 286.715 1.488 20 5 CDBDRO CCOCC(C)(C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886218459 692227324 /nfs/dbraw/zinc/22/73/24/692227324.db2.gz WOWKAYFDQGZOME-UHFFFAOYSA-N 1 0 253.302 1.895 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCn2cccc2)cc1 ZINC000819118257 692339361 /nfs/dbraw/zinc/33/93/61/692339361.db2.gz FDSZQCMDCFCYDP-AWEZNQCLSA-N 1 0 275.308 1.720 20 5 CDBDRO C[NH2+][C@H]1CCCN(c2ncc([N+](=O)[O-])cc2C)C1 ZINC000053205006 692424049 /nfs/dbraw/zinc/42/40/49/692424049.db2.gz WKHXTLPMVSKFIZ-JTQLQIEISA-N 1 0 250.302 1.486 20 5 CDBDRO CC(=O)c1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000842292802 692433835 /nfs/dbraw/zinc/43/38/35/692433835.db2.gz KOGJZHHHKPYVRT-TXEJJXNPSA-N 1 0 275.308 1.453 20 5 CDBDRO Cc1c(C[NH2+]CCC(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000159375506 692447139 /nfs/dbraw/zinc/44/71/39/692447139.db2.gz QYCOVNWZRZOWGL-UHFFFAOYSA-N 1 0 279.340 1.908 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[NH2+]CC1 ZINC000841233616 692456978 /nfs/dbraw/zinc/45/69/78/692456978.db2.gz ZYPQYKRYWKXRFF-UHFFFAOYSA-N 1 0 284.703 1.685 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+](CCCCO)C2CC2)cc1 ZINC000776584348 692490110 /nfs/dbraw/zinc/49/01/10/692490110.db2.gz MQLMAFNOOUZUIS-OAHLLOKOSA-N 1 0 294.351 1.865 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841857020 692568133 /nfs/dbraw/zinc/56/81/33/692568133.db2.gz VYKGEWGFCCRMIE-VIFPVBQESA-N 1 0 298.730 1.491 20 5 CDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000839708299 692607292 /nfs/dbraw/zinc/60/72/92/692607292.db2.gz IRUMOABCQYZTAP-IGHBBLSQSA-N 1 0 293.367 1.127 20 5 CDBDRO C[NH2+]CCCNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000842269991 692758193 /nfs/dbraw/zinc/75/81/93/692758193.db2.gz AEBLSPFWJBJRBJ-FNORWQNLSA-N 1 0 293.323 1.802 20 5 CDBDRO CN(C)C1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819250744 692762761 /nfs/dbraw/zinc/76/27/61/692762761.db2.gz CDFPROCRIDNLQD-AWEZNQCLSA-N 1 0 293.367 1.702 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000846988483 692767588 /nfs/dbraw/zinc/76/75/88/692767588.db2.gz LLEROTUPWOPGEJ-GFCCVEGCSA-N 1 0 285.388 1.765 20 5 CDBDRO C[C@@H](Cn1cccn1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158628825 692845504 /nfs/dbraw/zinc/84/55/04/692845504.db2.gz OQFDDXJIEWAWCN-SMDDNHRTSA-N 1 0 290.323 1.503 20 5 CDBDRO C[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1CCO ZINC000886279171 692846330 /nfs/dbraw/zinc/84/63/30/692846330.db2.gz RCKULVWDRVJILJ-DGCLKSJQSA-N 1 0 279.340 1.973 20 5 CDBDRO CN(Cn1ncc2cc([N+](=O)[O-])ccc21)[C@@H]1CCOC1 ZINC000106857774 692953580 /nfs/dbraw/zinc/95/35/80/692953580.db2.gz JJIFXUAZHZTUOW-GFCCVEGCSA-N 1 0 276.296 1.623 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCn2cccn2)cc1 ZINC000135784922 693007874 /nfs/dbraw/zinc/00/78/74/693007874.db2.gz XSBFPNBDIGDJNJ-CQSZACIVSA-N 1 0 290.323 1.505 20 5 CDBDRO Nc1ccc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000825207772 693071204 /nfs/dbraw/zinc/07/12/04/693071204.db2.gz NDFQATBYFKOHRZ-GXFFZTMASA-N 1 0 290.323 1.001 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2cnccn2)c1 ZINC000819206856 693158319 /nfs/dbraw/zinc/15/83/19/693158319.db2.gz CKDAGXGKJIQLKU-CQSZACIVSA-N 1 0 288.307 1.251 20 5 CDBDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)O ZINC000843080266 693163802 /nfs/dbraw/zinc/16/38/02/693163802.db2.gz RQTGVDDNZWJRPX-JIMOISOXSA-N 1 0 268.313 1.377 20 5 CDBDRO CNC(=O)c1ccc(N2CC[C@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000212661042 693178729 /nfs/dbraw/zinc/17/87/29/693178729.db2.gz YNZFWLYZTRUPMB-KOLCDFICSA-N 1 0 292.339 1.128 20 5 CDBDRO C[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000839673945 693202813 /nfs/dbraw/zinc/20/28/13/693202813.db2.gz BKRPMXODFXIIFS-MRVWCRGKSA-N 1 0 291.351 1.288 20 5 CDBDRO CCN(CC(=O)NC)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000049024093 693248051 /nfs/dbraw/zinc/24/80/51/693248051.db2.gz RHWFQPHFLINJET-UHFFFAOYSA-N 1 0 285.731 1.816 20 5 CDBDRO CCO[C@@H]1COC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832455859 693358812 /nfs/dbraw/zinc/35/88/12/693358812.db2.gz QWJUSMCIKWOWCG-HZSPNIEDSA-N 1 0 296.323 1.022 20 5 CDBDRO C[C@@H]([NH3+])CN(C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000714054090 693329844 /nfs/dbraw/zinc/32/98/44/693329844.db2.gz LIFZQQFBEMTLER-SSDOTTSWSA-N 1 0 255.249 1.153 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000063020518 693351974 /nfs/dbraw/zinc/35/19/74/693351974.db2.gz XBCWEDOQDOWCHF-UHFFFAOYSA-N 1 0 252.274 1.454 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]([NH3+])C1CC1 ZINC000123702188 694698737 /nfs/dbraw/zinc/69/87/37/694698737.db2.gz NNAJQMRKPKWTPL-NSHDSACASA-N 1 0 263.297 1.969 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886828104 693442940 /nfs/dbraw/zinc/44/29/40/693442940.db2.gz XLWGTZCLAOMHAM-JTQLQIEISA-N 1 0 250.302 1.161 20 5 CDBDRO CC(C)[NH2+]Cc1cn(Cc2cc(F)ccc2[N+](=O)[O-])nn1 ZINC000090297356 694796034 /nfs/dbraw/zinc/79/60/34/694796034.db2.gz DWQZLQSXQIGCHW-UHFFFAOYSA-N 1 0 293.302 1.872 20 5 CDBDRO COCC[N@H+](Cc1cccnc1[N+](=O)[O-])C1CCOCC1 ZINC000886310642 694821828 /nfs/dbraw/zinc/82/18/28/694821828.db2.gz QSUULOYPJXKHJE-UHFFFAOYSA-N 1 0 295.339 1.617 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](c2ccccn2)C2CC2)n1 ZINC000932378029 694829628 /nfs/dbraw/zinc/82/96/28/694829628.db2.gz KGUTZFNRROWIET-CQSZACIVSA-N 1 0 287.323 1.927 20 5 CDBDRO Cc1c(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)cccc1[N+](=O)[O-] ZINC000227141446 694719739 /nfs/dbraw/zinc/71/97/39/694719739.db2.gz SHRXCQYZAKTLBL-RISCZKNCSA-N 1 0 280.324 1.533 20 5 CDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000843771238 694735290 /nfs/dbraw/zinc/73/52/90/694735290.db2.gz FTNYPRZSASDWTB-SNVBAGLBSA-N 1 0 295.314 1.724 20 5 CDBDRO Cc1ccc(C[NH2+][C@@](C)(C(N)=O)C(C)C)cc1[N+](=O)[O-] ZINC000312231659 694830873 /nfs/dbraw/zinc/83/08/73/694830873.db2.gz HRWDUECXVCDYOM-CQSZACIVSA-N 1 0 279.340 1.893 20 5 CDBDRO CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001005380600 694847955 /nfs/dbraw/zinc/84/79/55/694847955.db2.gz FHLOFYDWQBEXSD-CHWSQXEVSA-N 1 0 283.372 1.375 20 5 CDBDRO C[C@@H](CCO)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843085138 694851151 /nfs/dbraw/zinc/85/11/51/694851151.db2.gz FSEWCQCOFQLNGJ-RISCZKNCSA-N 1 0 282.340 1.626 20 5 CDBDRO C[C@H](O)[C@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246248611 694854932 /nfs/dbraw/zinc/85/49/32/694854932.db2.gz IXUKYMIFTCHEDL-NILFDRSVSA-N 1 0 294.351 1.864 20 5 CDBDRO C[C@@H]1CCC[N@@H+]1CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000853390128 694863667 /nfs/dbraw/zinc/86/36/67/694863667.db2.gz MFJNWJQTSWJOOP-SECBINFHSA-N 1 0 266.301 1.592 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000882480557 694866378 /nfs/dbraw/zinc/86/63/78/694866378.db2.gz JDAPTWHQRNYINS-SNVBAGLBSA-N 1 0 278.312 1.122 20 5 CDBDRO [NH3+]CCN(CC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000809734383 694876444 /nfs/dbraw/zinc/87/64/44/694876444.db2.gz CFHXSOMNFKTIRU-GFCCVEGCSA-N 1 0 279.340 1.787 20 5 CDBDRO C[C@@H]1C[NH+](Cc2cccnc2[N+](=O)[O-])C[C@@H](C)C1O ZINC000886279396 694893357 /nfs/dbraw/zinc/89/33/57/694893357.db2.gz XVPPWWUZCFRAPS-NXEZZACHSA-N 1 0 265.313 1.439 20 5 CDBDRO C[NH+]1CCC(NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000824008060 694893602 /nfs/dbraw/zinc/89/36/02/694893602.db2.gz CVBBXGFVEWWQQG-UHFFFAOYSA-N 1 0 293.327 1.393 20 5 CDBDRO CN(c1ccc(Br)cc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000085258372 695048447 /nfs/dbraw/zinc/04/84/47/695048447.db2.gz HGRHRDFKMOBDDN-UHFFFAOYSA-N 1 0 286.129 1.765 20 5 CDBDRO CC(C)N1CC(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000867524236 695095248 /nfs/dbraw/zinc/09/52/48/695095248.db2.gz PYNQSHKXHGXCCN-UHFFFAOYSA-N 1 0 295.314 1.485 20 5 CDBDRO CC[C@@]([NH3+])(CO)N[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170315367 1162334498 /nfs/dbraw/zinc/33/44/98/1162334498.db2.gz XJDKDCGADAVDLH-HZMBPMFUSA-N 1 0 297.355 1.181 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]CCOC(C)=O)c([N+](=O)[O-])c1 ZINC001170329300 1162338224 /nfs/dbraw/zinc/33/82/24/1162338224.db2.gz ZJXYDTJXKGMPAH-SNVBAGLBSA-N 1 0 296.323 1.687 20 5 CDBDRO [NH3+][C@H]1CCc2nn(-c3nc(Cl)ncc3[N+](=O)[O-])cc2C1 ZINC001157980405 1162644414 /nfs/dbraw/zinc/64/44/14/1162644414.db2.gz VDVVAQZUWWQYKG-ZETCQYMHSA-N 1 0 294.702 1.040 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)[NH2+][C@H](C)C2)n1 ZINC001158176391 1162756845 /nfs/dbraw/zinc/75/68/45/1162756845.db2.gz DHEMYZFYOAKBOM-GHMZBOCLSA-N 1 0 264.329 1.793 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2cccc2C[NH3+])n1 ZINC001167586026 1159138048 /nfs/dbraw/zinc/13/80/48/1159138048.db2.gz IDJLGLNPAJZIKK-UHFFFAOYSA-N 1 0 276.252 1.026 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1NCC12CC[NH+](CC1)CC2 ZINC001169796916 1162017270 /nfs/dbraw/zinc/01/72/70/1162017270.db2.gz VFDXFKKKZFXVEG-UHFFFAOYSA-N 1 0 292.339 1.896 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cc(N2CCC3(C[NH2+]C3)CC2)n1 ZINC001159041920 1164001160 /nfs/dbraw/zinc/00/11/60/1164001160.db2.gz JEJGUSOIWSCLLZ-UHFFFAOYSA-N 1 0 282.731 1.833 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000873297765 1165538592 /nfs/dbraw/zinc/53/85/92/1165538592.db2.gz ACHCWFBLXKDZJR-LBPRGKRZSA-N 1 0 291.351 1.941 20 5 CDBDRO O=[N+]([O-])c1c(N[C@H]2C[NH+]3CCC2CC3)nc2sccn21 ZINC000035099615 1165639807 /nfs/dbraw/zinc/63/98/07/1165639807.db2.gz DLMAXTOWEGHLGP-VIFPVBQESA-N 1 0 293.352 1.810 20 5 CDBDRO Cc1cc(Cl)nc(NC[C@@]23C[NH2+][C@@H](CO2)C3)c1[N+](=O)[O-] ZINC001155542059 1167223913 /nfs/dbraw/zinc/22/39/13/1167223913.db2.gz ZCMIDWYSBBRPER-PRHODGIISA-N 1 0 298.730 1.494 20 5 CDBDRO Cc1cnc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC001155583922 1167243141 /nfs/dbraw/zinc/24/31/41/1167243141.db2.gz VNYUKEVUIFVMDI-VWYCJHECSA-N 1 0 262.313 1.708 20 5 CDBDRO CC(=O)c1ccc(N2CCC[C@]([NH3+])(CO)C2)c([N+](=O)[O-])c1 ZINC001575040495 1171092508 /nfs/dbraw/zinc/09/25/08/1171092508.db2.gz RJPYNGMTJCTSKW-CQSZACIVSA-N 1 0 293.323 1.087 20 5 CDBDRO CC(=O)c1ccc(N2CCC[C@@]([NH3+])(CO)C2)c([N+](=O)[O-])c1 ZINC001575040494 1171092417 /nfs/dbraw/zinc/09/24/17/1171092417.db2.gz RJPYNGMTJCTSKW-AWEZNQCLSA-N 1 0 293.323 1.087 20 5 CDBDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001576477234 1171432166 /nfs/dbraw/zinc/43/21/66/1171432166.db2.gz SQJDDJDKYBPVDJ-NSHDSACASA-N 1 0 296.302 1.044 20 5 CDBDRO CN(C[C@@H]1CC[NH2+]1)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001578452758 1171918531 /nfs/dbraw/zinc/91/85/31/1171918531.db2.gz ILBMYIZUROONFO-UBHSHLNASA-N 1 0 289.335 1.519 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC001579241594 1172122565 /nfs/dbraw/zinc/12/25/65/1172122565.db2.gz CSCHTYURBDYSAH-PELKAZGASA-N 1 0 297.286 1.490 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC001579242134 1172123173 /nfs/dbraw/zinc/12/31/73/1172123173.db2.gz JZMFBRVIOXGOCJ-NEPJUHHUSA-N 1 0 293.323 1.459 20 5 CDBDRO C[C@@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC001579411450 1172170304 /nfs/dbraw/zinc/17/03/04/1172170304.db2.gz SQPDLWSRRCHSJE-GMTAPVOTSA-N 1 0 292.339 1.692 20 5 CDBDRO [NH3+][C@@H](CNCCOc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC001580132440 1172356247 /nfs/dbraw/zinc/35/62/47/1172356247.db2.gz PAYKFHGFNFDRQR-SECBINFHSA-N 1 0 289.282 1.546 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001580449617 1172439930 /nfs/dbraw/zinc/43/99/30/1172439930.db2.gz QAMCMUONSIOAON-OLZOCXBDSA-N 1 0 290.323 1.144 20 5 CDBDRO O=C([C@H]1[C@@H]2C[NH2+]CC[C@@H]21)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001580491810 1172452852 /nfs/dbraw/zinc/45/28/52/1172452852.db2.gz RAWXTTZSTNQQCV-BFHYXJOUSA-N 1 0 287.319 1.293 20 5 CDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N(C1CC1)C1C[NH2+]C1 ZINC001580811869 1172546379 /nfs/dbraw/zinc/54/63/79/1172546379.db2.gz JTHCVGFYLZPLFQ-UHFFFAOYSA-N 1 0 279.271 1.310 20 5 CDBDRO CN(c1ncnc2cc([N+](=O)[O-])ccc21)C(C)(C)C[NH3+] ZINC001159054246 1164038072 /nfs/dbraw/zinc/03/80/72/1164038072.db2.gz ISVHKIAFWNEFFD-UHFFFAOYSA-N 1 0 275.312 1.712 20 5 CDBDRO CCN(CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000819011958 723196230 /nfs/dbraw/zinc/19/62/30/723196230.db2.gz BZFXEPMNBNUAQO-HNNXBMFYSA-N 1 0 293.367 1.702 20 5 CDBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839672374 723201453 /nfs/dbraw/zinc/20/14/53/723201453.db2.gz FTQFZHKQMABCGW-OSAQELSMSA-N 1 0 294.351 1.721 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923294010 723206750 /nfs/dbraw/zinc/20/67/50/723206750.db2.gz BZTDIRFMOPPIGU-ZIAGYGMSSA-N 1 0 279.340 1.312 20 5 CDBDRO C[C@H](NCC[NH2+]C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817953411 723360140 /nfs/dbraw/zinc/36/01/40/723360140.db2.gz MZXUCAIZPLKBKO-VIFPVBQESA-N 1 0 264.329 1.580 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000037286027 723647223 /nfs/dbraw/zinc/64/72/23/723647223.db2.gz JCWDMYQZOBNCLN-NSHDSACASA-N 1 0 295.314 1.948 20 5 CDBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCOC3CC3)CC2)c1 ZINC000929269976 723654243 /nfs/dbraw/zinc/65/42/43/723654243.db2.gz NKJHTMDWSJVZHC-UHFFFAOYSA-N 1 0 291.351 1.896 20 5 CDBDRO C[C@H](CNc1ccnc(F)c1[N+](=O)[O-])C[NH+](C)C ZINC000882391819 723664751 /nfs/dbraw/zinc/66/47/51/723664751.db2.gz DOIIQDLXRNWPGG-MRVPVSSYSA-N 1 0 256.281 1.739 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@H+](C)CCO)c1 ZINC000884824842 723686135 /nfs/dbraw/zinc/68/61/35/723686135.db2.gz RHYJUDRWBJKEDC-UHFFFAOYSA-N 1 0 253.302 1.239 20 5 CDBDRO C[C@H](C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000887399467 723688500 /nfs/dbraw/zinc/68/85/00/723688500.db2.gz VVIMYEICEASUNC-GHMZBOCLSA-N 1 0 279.340 1.765 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CNc1cccnc1[N+](=O)[O-] ZINC000228387337 1164412051 /nfs/dbraw/zinc/41/20/51/1164412051.db2.gz PJAPPELMRQZUOA-SNVBAGLBSA-N 1 0 250.302 1.886 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@H]([NH+](C)C)C2)n1 ZINC001165037354 721891084 /nfs/dbraw/zinc/89/10/84/721891084.db2.gz CLRMEWQDSHJATK-JTQLQIEISA-N 1 0 295.343 1.232 20 5 CDBDRO C[C@@H]([NH3+])CN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000863568216 723065535 /nfs/dbraw/zinc/06/55/35/723065535.db2.gz INMYZHFSKQWMEF-SNVBAGLBSA-N 1 0 253.302 1.253 20 5 CDBDRO C[N@@H+]1CC[C@H]2CN(c3ccnc(F)c3[N+](=O)[O-])CC[C@H]21 ZINC000882700104 723080118 /nfs/dbraw/zinc/08/01/18/723080118.db2.gz SKZABUGIWZGHRH-VHSXEESVSA-N 1 0 280.303 1.659 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000825250098 723236946 /nfs/dbraw/zinc/23/69/46/723236946.db2.gz USJVVPHOAUHSEP-NSHDSACASA-N 1 0 278.312 1.047 20 5 CDBDRO CC(C)(C[NH3+])c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000124974920 723248446 /nfs/dbraw/zinc/24/84/46/723248446.db2.gz DCFXTYCSCMSMTK-UHFFFAOYSA-N 1 0 262.269 1.881 20 5 CDBDRO CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000923359146 723255168 /nfs/dbraw/zinc/25/51/68/723255168.db2.gz OBOFEXRTUUUQBU-UONOGXRCSA-N 1 0 279.340 1.297 20 5 CDBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886000046 723256733 /nfs/dbraw/zinc/25/67/33/723256733.db2.gz UAFCRHFDJRFQGC-JTQLQIEISA-N 1 0 261.285 1.365 20 5 CDBDRO COc1ccc(C[NH2+]CC[S@](C)=O)cc1[N+](=O)[O-] ZINC000134741377 723324359 /nfs/dbraw/zinc/32/43/59/723324359.db2.gz IXARYLYPEYTTTH-GOSISDBHSA-N 1 0 272.326 1.072 20 5 CDBDRO COC(=O)N1CC([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000873082050 723336724 /nfs/dbraw/zinc/33/67/24/723336724.db2.gz ZSVFRGRGFKZFAA-UHFFFAOYSA-N 1 0 279.296 1.443 20 5 CDBDRO COc1cc(NC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000214221019 723422457 /nfs/dbraw/zinc/42/24/57/723422457.db2.gz BDYWBCKAPMLHTB-SECBINFHSA-N 1 0 283.328 1.974 20 5 CDBDRO C[C@H](O)C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000847094834 723501782 /nfs/dbraw/zinc/50/17/82/723501782.db2.gz PGJRVGKOISUIDY-HZMBPMFUSA-N 1 0 280.324 1.473 20 5 CDBDRO C[N@H+](CCNC(=O)CCC(C)(C)[N+](=O)[O-])C1CC1 ZINC000822758326 723639176 /nfs/dbraw/zinc/63/91/76/723639176.db2.gz XSYDBTQXMNCYFR-UHFFFAOYSA-N 1 0 257.334 1.032 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CC(C)(CO)CO ZINC000876748008 1165907487 /nfs/dbraw/zinc/90/74/87/1165907487.db2.gz SNALSVOBVGEKJN-UHFFFAOYSA-N 1 0 296.367 1.634 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c(F)c1 ZINC001155618524 1167261040 /nfs/dbraw/zinc/26/10/40/1167261040.db2.gz MIGMCCHXAZPHOG-ZANVPECISA-N 1 0 296.302 1.452 20 5 CDBDRO COCC(COC)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218229 912302187 /nfs/dbraw/zinc/30/21/87/912302187.db2.gz PFAXSCHLVNRZDK-LLVKDONJSA-N 1 0 282.340 1.777 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCC(=O)N1 ZINC001173226119 912316373 /nfs/dbraw/zinc/31/63/73/912316373.db2.gz LCOIEDWAVUDWDW-AAEUAGOBSA-N 1 0 291.351 1.784 20 5 CDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC001122456287 913749742 /nfs/dbraw/zinc/74/97/42/913749742.db2.gz NRLOXCSXILDVAG-UHFFFAOYSA-N 1 0 277.324 1.601 20 5 CDBDRO O=[N+]([O-])c1ccnc(-n2ccnc2[C@H]2CCC[NH2+]C2)c1 ZINC001167056177 894064179 /nfs/dbraw/zinc/06/41/79/894064179.db2.gz ORJINHMALNMITF-JTQLQIEISA-N 1 0 273.296 1.643 20 5 CDBDRO Cc1ncc(C[NH3+])c(=N)n1-c1c(Cl)cncc1[N+](=O)[O-] ZINC001167674049 897629761 /nfs/dbraw/zinc/62/97/61/897629761.db2.gz KLRKZJKIIHTECZ-UHFFFAOYSA-N 1 0 294.702 1.075 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCOCC2CC2)cc1 ZINC000236559443 898454869 /nfs/dbraw/zinc/45/48/69/898454869.db2.gz WHVUPEYDBAIOFN-CQSZACIVSA-N 1 0 280.324 1.644 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2COC[C@H]2C)cc1[N+](=O)[O-] ZINC000699804835 914290436 /nfs/dbraw/zinc/29/04/36/914290436.db2.gz JHBDXMBENOUZIK-KOLCDFICSA-N 1 0 266.297 1.728 20 5 CDBDRO [NH3+]CCc1ccn(-c2nc(Cl)ccc2[N+](=O)[O-])n1 ZINC001167730559 899486417 /nfs/dbraw/zinc/48/64/17/899486417.db2.gz LXSBRGCGMCEOOX-UHFFFAOYSA-N 1 0 267.676 1.330 20 5 CDBDRO Cc1ccc(F)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1F ZINC001225897322 904435760 /nfs/dbraw/zinc/43/57/60/904435760.db2.gz NLDDLYQMHIEMAY-SNVBAGLBSA-N 1 0 288.314 1.636 20 5 CDBDRO COc1cccc(N[C@H]2C[NH2+]CC[C@H]2F)c1[N+](=O)[O-] ZINC001168226721 907943772 /nfs/dbraw/zinc/94/37/72/907943772.db2.gz NVBNSLQQOJJVIW-SCZZXKLOSA-N 1 0 269.276 1.715 20 5 CDBDRO CC(C)(CCc1noc(CC2CC[NH2+]CC2)n1)[N+](=O)[O-] ZINC000843233401 921379448 /nfs/dbraw/zinc/37/94/48/921379448.db2.gz JEBVPPWRPWYKNH-UHFFFAOYSA-N 1 0 282.344 1.600 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000237374110 908318123 /nfs/dbraw/zinc/31/81/23/908318123.db2.gz MKNIZXUIJKZSAL-SKDRFNHKSA-N 1 0 292.339 1.519 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000697833136 909322895 /nfs/dbraw/zinc/32/28/95/909322895.db2.gz SINIGPDIQLGYJQ-SSDOTTSWSA-N 1 0 271.704 1.573 20 5 CDBDRO CC1(C)CC[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000712572103 909587905 /nfs/dbraw/zinc/58/79/05/909587905.db2.gz ALCJJLMIXPQFNF-UHFFFAOYSA-N 1 0 283.353 1.870 20 5 CDBDRO CCOc1cc(Nc2nccnc2C[NH3+])ccc1[N+](=O)[O-] ZINC001171448651 910667260 /nfs/dbraw/zinc/66/72/60/910667260.db2.gz FGLHFHZCAJPWTI-UHFFFAOYSA-N 1 0 289.295 1.986 20 5 CDBDRO NC(=[NH2+])c1nccn1-c1nc(Cl)ccc1[N+](=O)[O-] ZINC001168415550 912122089 /nfs/dbraw/zinc/12/20/89/912122089.db2.gz HVWTZAVDLVSHOL-UHFFFAOYSA-N 1 0 266.648 1.113 20 5 CDBDRO O=C(/C=C/C1CC1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001125236693 936358615 /nfs/dbraw/zinc/35/86/15/936358615.db2.gz JXUDJINZVXFYQL-BQYQJAHWSA-N 1 0 289.335 1.767 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C/C=C\CO)cc1Cl ZINC000826937400 936448313 /nfs/dbraw/zinc/44/83/13/936448313.db2.gz MXIVKIUHIPZZHY-UPHRSURJSA-N 1 0 256.689 1.886 20 5 CDBDRO COc1ccc(CNC(=O)C[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000827476857 936594230 /nfs/dbraw/zinc/59/42/30/936594230.db2.gz DKQVXYSLHMNGSD-NSHDSACASA-N 1 0 293.323 1.347 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[C@H]([NH3+])C1 ZINC001162395909 922495628 /nfs/dbraw/zinc/49/56/28/922495628.db2.gz WVVPIYRZTMNWKF-IUCAKERBSA-N 1 0 265.317 1.713 20 5 CDBDRO O=C(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)Nc1ccccc1 ZINC001168976983 927563369 /nfs/dbraw/zinc/56/33/69/927563369.db2.gz GNHWWXHTDXZSTF-WCQYABFASA-N 1 0 277.324 1.660 20 5 CDBDRO CO[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168977769 927565499 /nfs/dbraw/zinc/56/54/99/927565499.db2.gz LTSMWPDSGNHJQM-FVCCEPFGSA-N 1 0 256.346 1.979 20 5 CDBDRO CC(C)N1C[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1=O ZINC001168978331 927566491 /nfs/dbraw/zinc/56/64/91/927566491.db2.gz RFFFEHZFRCNVQH-QJPTWQEYSA-N 1 0 269.345 1.031 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C1 ZINC001168956313 927577039 /nfs/dbraw/zinc/57/70/39/927577039.db2.gz DKTZCXOPZBWTTE-HONMWMINSA-N 1 0 282.315 1.894 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2)C1 ZINC001168956399 927577163 /nfs/dbraw/zinc/57/71/63/927577163.db2.gz FAEMZOZHEWYAFI-XBFCOCLRSA-N 1 0 264.325 1.755 20 5 CDBDRO C[C@](O)(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168956830 927577408 /nfs/dbraw/zinc/57/74/08/927577408.db2.gz FVCUOMFNOMQOFG-QEJZJMRPSA-N 1 0 278.352 1.929 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ncccc2F)C1 ZINC001168964763 927586918 /nfs/dbraw/zinc/58/69/18/927586918.db2.gz VYAGVOOSTCDXAT-VHSXEESVSA-N 1 0 253.277 1.756 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCN2CCCCCC2)C1 ZINC001168968130 927591129 /nfs/dbraw/zinc/59/11/29/927591129.db2.gz WKIIKBRFVFDUAI-KGLIPLIRSA-N 1 0 269.389 1.897 20 5 CDBDRO C[C@]1(O)CCCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169006830 927610732 /nfs/dbraw/zinc/61/07/32/927610732.db2.gz JNOKVXAQOPFIHC-AGIUHOORSA-N 1 0 256.346 1.669 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(c3cccnc3)CC2)C1 ZINC001169011094 927616394 /nfs/dbraw/zinc/61/63/94/927616394.db2.gz IGRFTIADUFBNGU-ZIAGYGMSSA-N 1 0 290.367 1.649 20 5 CDBDRO COC(=O)[C@H]1CC[C@@H](C)[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169033300 927640779 /nfs/dbraw/zinc/64/07/79/927640779.db2.gz BSRCZECEYYJWGV-FVCCEPFGSA-N 1 0 284.356 1.705 20 5 CDBDRO CC1(C(N)=O)CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169035239 927644677 /nfs/dbraw/zinc/64/46/77/927644677.db2.gz JPVRSMNERDONPV-QWRGUYRKSA-N 1 0 269.345 1.019 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCc3nccn3CC2)C1 ZINC001169036572 927647966 /nfs/dbraw/zinc/64/79/66/927647966.db2.gz GSVSPCTUPHGUSE-NWDGAFQWSA-N 1 0 264.329 1.187 20 5 CDBDRO CC(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169021444 927664096 /nfs/dbraw/zinc/66/40/96/927664096.db2.gz KWUJRGSANJDKIF-BJJPWKGXSA-N 1 0 295.383 1.134 20 5 CDBDRO CCC(=O)N(C)C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169054257 927671003 /nfs/dbraw/zinc/67/10/03/927671003.db2.gz LIVHFSIPDRAHNE-OCCSQVGLSA-N 1 0 297.399 1.765 20 5 CDBDRO COc1ccc(-n2ccc([C@H](C)[NH3+])n2)nc1[N+](=O)[O-] ZINC001169228053 927824830 /nfs/dbraw/zinc/82/48/30/927824830.db2.gz LGEWBDMJFSWYQY-ZETCQYMHSA-N 1 0 263.257 1.204 20 5 CDBDRO [NH3+]Cc1ccc2c(n1)N(c1nccnc1[N+](=O)[O-])CCC2 ZINC001169582965 928234004 /nfs/dbraw/zinc/23/40/04/928234004.db2.gz AEBJAEJJIWJXLA-UHFFFAOYSA-N 1 0 286.295 1.323 20 5 CDBDRO CC[C@H](C)Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001157230457 929365188 /nfs/dbraw/zinc/36/51/88/929365188.db2.gz OETJURFKNFIAKE-VIFPVBQESA-N 1 0 280.332 1.005 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000882494295 930023528 /nfs/dbraw/zinc/02/35/28/930023528.db2.gz IQUBXXDLICGHJJ-GFCCVEGCSA-N 1 0 295.314 1.487 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH3+])C2)c1C ZINC000884020127 930389429 /nfs/dbraw/zinc/38/94/29/930389429.db2.gz OCEOHSKNADWYRO-JTQLQIEISA-N 1 0 263.297 1.385 20 5 CDBDRO [NH3+]CC1(CC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000817959663 930647130 /nfs/dbraw/zinc/64/71/30/930647130.db2.gz FUCORTLMKIJLRA-UHFFFAOYSA-N 1 0 297.742 1.993 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1[NH2+]CC1(C)C)CC2 ZINC000818608534 930733941 /nfs/dbraw/zinc/73/39/41/930733941.db2.gz HDSQVPNEILWJAP-ZDUSSCGKSA-N 1 0 289.335 1.790 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001159743447 930783852 /nfs/dbraw/zinc/78/38/52/930783852.db2.gz FZLIGZPZJQZESZ-CYBMUJFWSA-N 1 0 276.296 1.612 20 5 CDBDRO C[NH+](C)CCONC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000820989823 930995546 /nfs/dbraw/zinc/99/55/46/930995546.db2.gz BUWITVRYOLMBBF-OLZOCXBDSA-N 1 0 293.323 1.308 20 5 CDBDRO O=[N+]([O-])c1cccc(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)n1 ZINC001160737653 932085386 /nfs/dbraw/zinc/08/53/86/932085386.db2.gz QJNRUAJRWFHCMR-JGVFFNPUSA-N 1 0 290.245 1.942 20 5 CDBDRO C[NH2+]CCCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118029377 937582735 /nfs/dbraw/zinc/58/27/35/937582735.db2.gz VUTSHLXPJPYCJW-UHFFFAOYSA-N 1 0 278.312 1.230 20 5 CDBDRO CNc1ccc(C(=O)NCC[C@H](C)[NH2+]C)cc1[N+](=O)[O-] ZINC001118205526 937602579 /nfs/dbraw/zinc/60/25/79/937602579.db2.gz LDEJAIWEALPUJF-VIFPVBQESA-N 1 0 280.328 1.364 20 5 CDBDRO COc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC001154984040 937615995 /nfs/dbraw/zinc/61/59/95/937615995.db2.gz DHTBNMIQXGVFKL-DTWKUNHWSA-N 1 0 266.301 1.680 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001154986782 937616651 /nfs/dbraw/zinc/61/66/51/937616651.db2.gz KDZNSXULEZYYDI-SFYZADRCSA-N 1 0 251.290 1.254 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH3+])[C@H]1C ZINC001118409639 937625236 /nfs/dbraw/zinc/62/52/36/937625236.db2.gz SHWJWSNLPLKPHX-BXKDBHETSA-N 1 0 292.339 1.588 20 5 CDBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001155020648 937622202 /nfs/dbraw/zinc/62/22/02/937622202.db2.gz NESLHXBLROWYEA-MNOVXSKESA-N 1 0 280.328 1.276 20 5 CDBDRO O=[N+]([O-])c1cc(NC[C@@H]2CCCC[NH2+]2)cn2ccnc12 ZINC001171334747 932745775 /nfs/dbraw/zinc/74/57/75/932745775.db2.gz PEDWQNWVWNPUOE-JTQLQIEISA-N 1 0 275.312 1.797 20 5 CDBDRO C[C@@H]1C[C@@H](CNc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C[NH2+]1 ZINC001155100978 937635017 /nfs/dbraw/zinc/63/50/17/937635017.db2.gz CQSXWQUOJHANIM-HTQZYQBOSA-N 1 0 286.719 1.292 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3[NH2+]C[C@@H]4C[C@@H]43)n2)o1 ZINC001118958070 937681569 /nfs/dbraw/zinc/68/15/69/937681569.db2.gz AMCOKXDBVAMKOY-ATVXKPNKSA-N 1 0 262.225 1.518 20 5 CDBDRO COc1nc(N[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC001155915808 937688495 /nfs/dbraw/zinc/68/84/95/937688495.db2.gz ZAIBLRLVWOVOIB-QMMMGPOBSA-N 1 0 254.290 1.360 20 5 CDBDRO Cc1cccc(C(=O)N2CCC3(C[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC001122052339 937901998 /nfs/dbraw/zinc/90/19/98/937901998.db2.gz NGPGQNPORCJALH-UHFFFAOYSA-N 1 0 289.335 1.729 20 5 CDBDRO [NH3+]CCON=c1nc(Cl)[nH]c2ccc([N+](=O)[O-])cc21 ZINC001156291432 938348614 /nfs/dbraw/zinc/34/86/14/938348614.db2.gz DFCHVQJBIYXMKA-UHFFFAOYSA-N 1 0 283.675 1.494 20 5 CDBDRO Cc1cc(Cl)nc(-n2ccnc2CC[NH3+])c1[N+](=O)[O-] ZINC001156477627 938372160 /nfs/dbraw/zinc/37/21/60/938372160.db2.gz BWXUEUSMSNNVGZ-UHFFFAOYSA-N 1 0 281.703 1.639 20 5 CDBDRO COc1nc(N2C[C@H]3CCC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001157263004 938471037 /nfs/dbraw/zinc/47/10/37/938471037.db2.gz ZVDLXEWSAIYETP-PWSUYJOCSA-N 1 0 292.339 1.529 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]([NH3+])[C@H]2C)n1 ZINC001157739631 938538137 /nfs/dbraw/zinc/53/81/37/938538137.db2.gz DGHCJEPZCSARGG-GHMZBOCLSA-N 1 0 264.329 1.923 20 5 CDBDRO [NH3+]C[C@]1(F)CCN(c2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001157812538 938550022 /nfs/dbraw/zinc/55/00/22/938550022.db2.gz CGFCDYDIQFZRDY-CYBMUJFWSA-N 1 0 291.286 1.415 20 5 CDBDRO CC(C)Oc1nc(-n2cc(CC[NH3+])cn2)ccc1[N+](=O)[O-] ZINC001158105334 938583379 /nfs/dbraw/zinc/58/33/79/938583379.db2.gz KXXWZQAOFMDKJN-UHFFFAOYSA-N 1 0 291.311 1.464 20 5 CDBDRO COc1cnc(N2C[C@@H](C)[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC001158177323 938591452 /nfs/dbraw/zinc/59/14/52/938591452.db2.gz SVXSJFGNPUDUBK-RKDXNWHRSA-N 1 0 266.301 1.185 20 5 CDBDRO CC1(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001158535313 938633278 /nfs/dbraw/zinc/63/32/78/938633278.db2.gz QKUYUVUWVIBDGL-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO Cc1cnc(-n2nnc3ccc(C[NH3+])cc32)c([N+](=O)[O-])c1 ZINC001159026904 938693013 /nfs/dbraw/zinc/69/30/13/938693013.db2.gz QWIJCDWACIUMPG-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001159743554 938748898 /nfs/dbraw/zinc/74/88/98/938748898.db2.gz HVTZOIDHKRLJCY-LBPRGKRZSA-N 1 0 277.284 1.007 20 5 CDBDRO [NH3+]Cc1nccnc1Nc1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001160246282 938776900 /nfs/dbraw/zinc/77/69/00/938776900.db2.gz ZPZOSLQIBLDQOP-UHFFFAOYSA-N 1 0 285.267 1.463 20 5 CDBDRO C[NH+](C)CCNc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001161666422 938918378 /nfs/dbraw/zinc/91/83/78/938918378.db2.gz NBIYFURJNRLTQT-UHFFFAOYSA-N 1 0 279.275 1.651 20 5 CDBDRO C[NH+](C)CCCCNc1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001161737112 938928301 /nfs/dbraw/zinc/92/83/01/938928301.db2.gz WNYHDLPYTAKYJX-UHFFFAOYSA-N 1 0 292.339 1.592 20 5 CDBDRO COc1nc(N[C@H]2C[C@@](C)([NH3+])C2)ccc1[N+](=O)[O-] ZINC001162325003 939024172 /nfs/dbraw/zinc/02/41/72/939024172.db2.gz LKMIGBGVTSNBLD-DGFRNANFSA-N 1 0 252.274 1.290 20 5 CDBDRO C[C@@H]1C[C@@H](CNc2ccc3nc[nH]c3c2[N+](=O)[O-])C[NH2+]1 ZINC001162560125 939088457 /nfs/dbraw/zinc/08/84/57/939088457.db2.gz ZBJFJIQPGXXMBG-RKDXNWHRSA-N 1 0 275.312 1.881 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(NC[C@@]2(F)CCCC[NH2+]C2)n1 ZINC001162572418 939089916 /nfs/dbraw/zinc/08/99/16/939089916.db2.gz FFYFPMPIAUSWSD-CYBMUJFWSA-N 1 0 298.318 1.892 20 5 CDBDRO Cc1nc(Cl)nc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)c1[N+](=O)[O-] ZINC001162789645 939139845 /nfs/dbraw/zinc/13/98/45/939139845.db2.gz JMZPTTJXZRBZCC-HRDYMLBCSA-N 1 0 295.730 1.533 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)c1F ZINC001163252619 939232881 /nfs/dbraw/zinc/23/28/81/939232881.db2.gz IFSJXOBMIPCLCB-MFKMUULPSA-N 1 0 294.286 1.032 20 5 CDBDRO CN(CC[NH+](C)C)c1nccc(Cl)c1[N+](=O)[O-] ZINC001163589847 939290267 /nfs/dbraw/zinc/29/02/67/939290267.db2.gz JSSWIOMGYZEXBW-UHFFFAOYSA-N 1 0 258.709 1.641 20 5 CDBDRO C[C@H]1CC[C@H](C[NH3+])CN1c1nc(Cl)ncc1[N+](=O)[O-] ZINC001164456888 939474985 /nfs/dbraw/zinc/47/49/85/939474985.db2.gz UUDMFMSVHJRKIW-JGVFFNPUSA-N 1 0 285.735 1.602 20 5 CDBDRO C[NH+](C)C[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1N ZINC001165076353 939507639 /nfs/dbraw/zinc/50/76/39/939507639.db2.gz HXEICDNBYAHNIW-SECBINFHSA-N 1 0 265.317 1.102 20 5 CDBDRO CCOc1nc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001165147937 939518691 /nfs/dbraw/zinc/51/86/91/939518691.db2.gz GVKBWHNKTYOOEK-QWRGUYRKSA-N 1 0 292.339 1.386 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001165269099 939537129 /nfs/dbraw/zinc/53/71/29/939537129.db2.gz DGLDKUXLROYVTF-ONGXEEELSA-N 1 0 298.730 1.210 20 5 CDBDRO CN(C)/C=C/c1cc(N2C[C@@H]3C[C@]3([NH3+])C2)ncc1[N+](=O)[O-] ZINC001165316836 939545141 /nfs/dbraw/zinc/54/51/41/939545141.db2.gz REKLJDLPYFBQON-CESFYWBNSA-N 1 0 289.339 1.060 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CCC[C@@H]4[NH2+]C[C@H]43)nc21 ZINC001165391109 939557207 /nfs/dbraw/zinc/55/72/07/939557207.db2.gz GLFSBFJOTYOVLR-WCBMZHEXSA-N 1 0 273.296 1.412 20 5 CDBDRO COc1ccc(C(=O)CO[C@@H](C)C[N+](C)(C)C)c(OC)c1 ZINC001204754822 939788182 /nfs/dbraw/zinc/78/81/82/939788182.db2.gz QFYYRJARCWDZLD-LBPRGKRZSA-N 1 0 296.387 1.998 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(O[C@@H]3CCC[NH2+]C3)oc2c1 ZINC001218282031 941050487 /nfs/dbraw/zinc/05/04/87/941050487.db2.gz OBGPVXRXSREAQC-SECBINFHSA-N 1 0 263.253 1.867 20 5 CDBDRO Cc1nc(Cl)nc(O[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001218282268 941050890 /nfs/dbraw/zinc/05/08/90/941050890.db2.gz RECGTKLHRUKJIM-SSDOTTSWSA-N 1 0 272.692 1.477 20 5 CDBDRO Cc1cc(NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC001524232780 970826129 /nfs/dbraw/zinc/82/61/29/970826129.db2.gz WSZVGYVLECPNLB-JOYOIKCWSA-N 1 0 281.287 1.789 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2ncccc2c1 ZINC001225328924 941844163 /nfs/dbraw/zinc/84/41/63/941844163.db2.gz IOVTTYDNFAKKPL-CYBMUJFWSA-N 1 0 289.355 1.597 20 5 CDBDRO Cc1ccc(F)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001225353913 941848379 /nfs/dbraw/zinc/84/83/79/941848379.db2.gz FXAPNXWFFSEPIL-LLVKDONJSA-N 1 0 270.324 1.497 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Cl)cc1C(N)=O ZINC001225521773 941873761 /nfs/dbraw/zinc/87/37/61/941873761.db2.gz UGILQZXWVRRWCU-SECBINFHSA-O 1 0 271.768 1.912 20 5 CDBDRO COc1ccc(O[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001225769632 941911599 /nfs/dbraw/zinc/91/15/99/941911599.db2.gz NQWVSWAMMJJSKV-VIFPVBQESA-N 1 0 254.286 1.932 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cc2c(nn1)CCCC2 ZINC001226559269 942026084 /nfs/dbraw/zinc/02/60/84/942026084.db2.gz SVLQFNQFFKRLAJ-LLVKDONJSA-N 1 0 250.366 1.829 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cc(=O)[nH]c2cccnc21 ZINC001229503472 942483857 /nfs/dbraw/zinc/48/38/57/942483857.db2.gz YVUSLHCFCQRYNL-SNVBAGLBSA-O 1 0 262.333 1.809 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2cc3n[nH]cc3cc2[N+](=O)[O-])C1 ZINC001230595063 942651317 /nfs/dbraw/zinc/65/13/17/942651317.db2.gz ITHKWFQOJLFSQG-JTQLQIEISA-N 1 0 276.296 1.944 20 5 CDBDRO COC(=O)c1cnc(OC)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001230651087 942667312 /nfs/dbraw/zinc/66/73/12/942667312.db2.gz IBKTUEDOTJBPMS-SNVBAGLBSA-N 1 0 283.348 1.350 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2occc2c1 ZINC001233676545 943638590 /nfs/dbraw/zinc/63/85/90/943638590.db2.gz IFHOBDBFEHKOME-GFCCVEGCSA-N 1 0 278.328 1.795 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)c1cccc2ccccc21 ZINC001262567731 946720768 /nfs/dbraw/zinc/72/07/68/946720768.db2.gz BJAJWRKOPALBLR-CQSZACIVSA-N 1 0 260.293 1.740 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCNC(=O)C1 ZINC001254535801 947516382 /nfs/dbraw/zinc/51/63/82/947516382.db2.gz LGFLNGJVQASAGG-JQWIXIFHSA-N 1 0 277.324 1.394 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC2(C1)OCCO2 ZINC001254558541 947525633 /nfs/dbraw/zinc/52/56/33/947525633.db2.gz CGNMWQLJQYZDLA-GFCCVEGCSA-N 1 0 292.335 1.975 20 5 CDBDRO CN1CCC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254569493 947530328 /nfs/dbraw/zinc/53/03/28/947530328.db2.gz YQYANEJXKSWOJW-AWEZNQCLSA-N 1 0 275.352 1.746 20 5 CDBDRO CN1C[C@@H](C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1=O ZINC001254575603 947535923 /nfs/dbraw/zinc/53/59/23/947535923.db2.gz RGUNSHAUCYNMLW-ZWNOBZJWSA-N 1 0 289.335 1.130 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCCC[C@H]1CO)C2 ZINC001254601090 947548660 /nfs/dbraw/zinc/54/86/60/947548660.db2.gz ZBXPPJMABTXHFW-LSDHHAIUSA-N 1 0 276.336 1.909 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCCOCC1)C2 ZINC001254601119 947549919 /nfs/dbraw/zinc/54/99/19/947549919.db2.gz ZPKQEGHVXWUKQO-AWEZNQCLSA-N 1 0 262.309 1.784 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N[C@H](C)C[N@@H+](C)C(C)C ZINC001325951076 954154290 /nfs/dbraw/zinc/15/42/90/954154290.db2.gz BLTYMJSVHFYNKA-LLVKDONJSA-N 1 0 266.345 1.861 20 5 CDBDRO C[C@]1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCC[NH2+]C1 ZINC001326339499 954330356 /nfs/dbraw/zinc/33/03/56/954330356.db2.gz VYBUCXWEFZQOQZ-HNNXBMFYSA-N 1 0 289.335 1.827 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@H]2C[NH+]3CCC2CC3)s1 ZINC001307230715 956384205 /nfs/dbraw/zinc/38/42/05/956384205.db2.gz VXIKNFIHKMPWFI-VIFPVBQESA-N 1 0 268.342 1.805 20 5 CDBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC001308743094 956573228 /nfs/dbraw/zinc/57/32/28/956573228.db2.gz ZHFJSVGRFTYRJY-KOLCDFICSA-N 1 0 296.323 1.560 20 5 CDBDRO CCC[N@@H+]1CC[C@H](CNc2c(C)cncc2[N+](=O)[O-])C1 ZINC001321656121 959892858 /nfs/dbraw/zinc/89/28/58/959892858.db2.gz JSLOEUJUQGQVHO-GFCCVEGCSA-N 1 0 278.356 1.864 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH2+]C(C)(C)C ZINC001323257850 960590528 /nfs/dbraw/zinc/59/05/28/960590528.db2.gz VOBHXZYXDCRGPD-UHFFFAOYSA-N 1 0 294.355 1.754 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCCN(CC(F)(F)F)C1 ZINC001336830661 960637201 /nfs/dbraw/zinc/63/72/01/960637201.db2.gz JBTIXPHUMAICPW-VIFPVBQESA-N 1 0 269.267 1.127 20 5 CDBDRO CC[C@@H](C[NH+]1CCCC1)Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001337783227 961420854 /nfs/dbraw/zinc/42/08/54/961420854.db2.gz QPRCZWSDZNCJCQ-JTQLQIEISA-N 1 0 279.344 1.858 20 5 CDBDRO O=C([C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CCc2c1cccc2[N+](=O)[O-] ZINC001340695310 963075127 /nfs/dbraw/zinc/07/51/27/963075127.db2.gz JJJCHPYXDHGBCX-MVWJERBFSA-N 1 0 287.319 1.624 20 5 CDBDRO O=C(N[C@H]1CC[NH2+]C1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001343999709 964205977 /nfs/dbraw/zinc/20/59/77/964205977.db2.gz JOFXKDCFSMCCLQ-DRZSPHRISA-N 1 0 275.308 1.176 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001348125022 965830411 /nfs/dbraw/zinc/83/04/11/965830411.db2.gz BGAFCFJSNYMQAU-SNVBAGLBSA-N 1 0 279.344 1.493 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001356498816 969412057 /nfs/dbraw/zinc/41/20/57/969412057.db2.gz JHZBUIRZRNLKSJ-GDLCADMTSA-N 1 0 291.351 1.670 20 5 CDBDRO CC[C@@H]1C[NH2+][C@@H](CC)CN1c1ncc([N+](=O)[O-])c(C)n1 ZINC001573721422 1170742307 /nfs/dbraw/zinc/74/23/07/1170742307.db2.gz DHSKFGUZUHBGPS-WDEREUQCSA-N 1 0 279.344 1.660 20 5 CDBDRO C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001576252238 1171372098 /nfs/dbraw/zinc/37/20/98/1171372098.db2.gz QHPSWQDZMXXWPP-WDMOLILDSA-N 1 0 279.340 1.622 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC001578263565 1171856247 /nfs/dbraw/zinc/85/62/47/1171856247.db2.gz MEJCKXLQRXMXGF-AWEZNQCLSA-N 1 0 293.323 1.474 20 5 CDBDRO C[C@@H](O)CN(C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589737166 342513287 /nfs/dbraw/zinc/51/32/87/342513287.db2.gz ILIZZIPYSQTCPJ-SECBINFHSA-N 1 0 282.296 1.179 20 5 CDBDRO Cc1cccc(C(=O)N2CCc3[nH]cnc3C2)c1[N+](=O)[O-] ZINC000590377961 342540867 /nfs/dbraw/zinc/54/08/67/342540867.db2.gz AFDOZLCVJOVRAT-UHFFFAOYSA-N 1 0 286.291 1.825 20 5 CDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COC[C@@H]1O ZINC000601292134 342549716 /nfs/dbraw/zinc/54/97/16/342549716.db2.gz SITYFMUISTYTRI-QKCSRTOESA-N 1 0 280.324 1.265 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000601330784 342554674 /nfs/dbraw/zinc/55/46/74/342554674.db2.gz XITZBPLLGLXYST-SCZZXKLOSA-N 1 0 253.277 1.655 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000070174960 361745698 /nfs/dbraw/zinc/74/56/98/361745698.db2.gz CQJOLPZYYKZKSI-ZJUUUORDSA-N 1 0 250.302 1.553 20 5 CDBDRO Cc1sc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000269235863 190479986 /nfs/dbraw/zinc/47/99/86/190479986.db2.gz WUJZHBCGLPCPEG-IONNQARKSA-N 1 0 283.353 1.774 20 5 CDBDRO C[C@H]1CN(c2cccnc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000590703663 342582535 /nfs/dbraw/zinc/58/25/35/342582535.db2.gz GUVNDNIZSMHZTQ-LLVKDONJSA-N 1 0 276.340 1.910 20 5 CDBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000273085899 192038621 /nfs/dbraw/zinc/03/86/21/192038621.db2.gz YTEUJGHPXIVTAW-MRVPVSSYSA-N 1 0 283.715 1.588 20 5 CDBDRO Cc1cccc(C(=O)N2CCC3(C[NH+](C)C3)C2)c1[N+](=O)[O-] ZINC000618920918 349556034 /nfs/dbraw/zinc/55/60/34/349556034.db2.gz LMZSMNNBMJSDMX-UHFFFAOYSA-N 1 0 289.335 1.681 20 5 CDBDRO Cc1ccc(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000591270313 342623621 /nfs/dbraw/zinc/62/36/21/342623621.db2.gz COVYGGLJFUYIGK-PHIMTYICSA-N 1 0 290.323 1.586 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[NH3+] ZINC000591271681 342623673 /nfs/dbraw/zinc/62/36/73/342623673.db2.gz PZWUVLVSGCYZSU-QMMMGPOBSA-N 1 0 252.274 1.372 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000591270325 342623719 /nfs/dbraw/zinc/62/37/19/342623719.db2.gz MNSUCVBQZANVHO-CABZTGNLSA-N 1 0 296.302 1.759 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[NH3+] ZINC000591303825 342624720 /nfs/dbraw/zinc/62/47/20/342624720.db2.gz CUBCKXAWBOFJRL-MRVPVSSYSA-N 1 0 282.300 1.462 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591437407 342631857 /nfs/dbraw/zinc/63/18/57/342631857.db2.gz HFLOPMSXCSRZNK-PSASIEDQSA-N 1 0 282.731 1.831 20 5 CDBDRO O=[N+]([O-])c1cncc(Cl)c1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000310746411 342134866 /nfs/dbraw/zinc/13/48/66/342134866.db2.gz JGANOTLBTZDMQY-HTQZYQBOSA-N 1 0 268.704 1.299 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH2+]C[C@@](C)(F)C2)n1 ZINC000591442217 342632373 /nfs/dbraw/zinc/63/23/73/342632373.db2.gz WMJMZSMLXCUQCZ-GFCCVEGCSA-N 1 0 268.292 1.436 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)[NH3+] ZINC000592546910 342708867 /nfs/dbraw/zinc/70/88/67/342708867.db2.gz JOZIWGNODXMBAM-SECBINFHSA-N 1 0 265.313 1.597 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)cc([N+](=O)[O-])c1 ZINC000322449227 342185822 /nfs/dbraw/zinc/18/58/22/342185822.db2.gz UFQALHGHSKUBPR-HAQNSBGRSA-N 1 0 277.324 1.903 20 5 CDBDRO [NH3+]C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000313340688 342188760 /nfs/dbraw/zinc/18/87/60/342188760.db2.gz FBBJFLFSGUDBBV-GFCCVEGCSA-N 1 0 294.311 1.176 20 5 CDBDRO CCN1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593688241 342823130 /nfs/dbraw/zinc/82/31/30/342823130.db2.gz NVTJMPVRVCBEHV-LBPRGKRZSA-N 1 0 277.324 1.553 20 5 CDBDRO COC[C@H]([NH3+])C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000566976606 539037388 /nfs/dbraw/zinc/03/73/88/539037388.db2.gz RZLAIASGIRMWCQ-ZDUSSCGKSA-N 1 0 293.323 1.060 20 5 CDBDRO CCC(C)(C)[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000594020320 342866647 /nfs/dbraw/zinc/86/66/47/342866647.db2.gz HLPFZVHCUNDSCR-UHFFFAOYSA-N 1 0 295.387 1.598 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000323437173 342878861 /nfs/dbraw/zinc/87/88/61/342878861.db2.gz RKBKPDAYCQLFFS-JQWIXIFHSA-N 1 0 266.297 1.606 20 5 CDBDRO CCN(CC[NH3+])[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000600715070 342246372 /nfs/dbraw/zinc/24/63/72/342246372.db2.gz DTPIYDGABXOLMX-SNVBAGLBSA-N 1 0 280.328 1.202 20 5 CDBDRO C[N@H+](CC(=O)NCCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000600820249 342250881 /nfs/dbraw/zinc/25/08/81/342250881.db2.gz FHYFQXCBQDBWNN-UHFFFAOYSA-N 1 0 291.351 1.738 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107573331 349706628 /nfs/dbraw/zinc/70/66/28/349706628.db2.gz UCPLBNBAXTWASQ-VXGBXAGGSA-N 1 0 277.324 1.255 20 5 CDBDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611931594 346909998 /nfs/dbraw/zinc/90/99/98/346909998.db2.gz BGWZDBQYMXGZJT-VHSXEESVSA-N 1 0 296.323 1.615 20 5 CDBDRO Cc1cc(NCC2([NH+](C)C)CCOCC2)ncc1[N+](=O)[O-] ZINC000074751773 342303788 /nfs/dbraw/zinc/30/37/88/342303788.db2.gz ZAWLTHZSPIHQIZ-UHFFFAOYSA-N 1 0 294.355 1.821 20 5 CDBDRO Cc1noc(CN2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000595303734 343030747 /nfs/dbraw/zinc/03/07/47/343030747.db2.gz AUNCUPFMSYJFIP-JTQLQIEISA-N 1 0 268.317 1.417 20 5 CDBDRO C[C@H](C[S@](C)=O)N(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595428341 343057537 /nfs/dbraw/zinc/05/75/37/343057537.db2.gz XWGDYBYCVIREPO-HOGDKLEQSA-N 1 0 288.344 1.933 20 5 CDBDRO CCN1CC[C@H]([N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000595477185 343064749 /nfs/dbraw/zinc/06/47/49/343064749.db2.gz RQGLLPMBTXDUHJ-AWEZNQCLSA-N 1 0 291.351 1.690 20 5 CDBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000076513749 342322076 /nfs/dbraw/zinc/32/20/76/342322076.db2.gz WWEBDTLEXHWUCV-SNVBAGLBSA-N 1 0 294.359 1.643 20 5 CDBDRO Cc1noc(C[N@@H+]2CC[C@@H](CCCO)C2)c1[N+](=O)[O-] ZINC000595521953 343088311 /nfs/dbraw/zinc/08/83/11/343088311.db2.gz HLSBTSHSBNLFRV-SNVBAGLBSA-N 1 0 269.301 1.486 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000600967145 342356755 /nfs/dbraw/zinc/35/67/55/342356755.db2.gz YOKHAGSCSVZIJS-ONGXEEELSA-N 1 0 262.269 1.173 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000595985017 343212019 /nfs/dbraw/zinc/21/20/19/343212019.db2.gz ZXWMROAUVKOZIO-ZJUUUORDSA-N 1 0 297.380 1.800 20 5 CDBDRO CC[NH+]1CCC(CNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596085995 343221208 /nfs/dbraw/zinc/22/12/08/343221208.db2.gz RRASYPTWWDXLKJ-UHFFFAOYSA-N 1 0 280.328 1.839 20 5 CDBDRO C[NH+](C)C(C)(C)CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596054198 343221833 /nfs/dbraw/zinc/22/18/33/343221833.db2.gz KVBRQNRVIVUGAQ-UHFFFAOYSA-N 1 0 254.290 1.448 20 5 CDBDRO C[NH2+]C[C@H](C)N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000596107157 343228862 /nfs/dbraw/zinc/22/88/62/343228862.db2.gz SBBKRTUUHLWEGW-QWRGUYRKSA-N 1 0 294.355 1.509 20 5 CDBDRO Nc1ccc(NC2CC[NH+](CC3CC3)CC2)nc1[N+](=O)[O-] ZINC000596089181 343233861 /nfs/dbraw/zinc/23/38/61/343233861.db2.gz XVXOTFIVJQORLS-UHFFFAOYSA-N 1 0 291.355 1.280 20 5 CDBDRO O=c1[nH]ccc(N2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000596127035 343237739 /nfs/dbraw/zinc/23/77/39/343237739.db2.gz SUPILAAWINRVRZ-UHFFFAOYSA-N 1 0 278.312 1.370 20 5 CDBDRO C[N@@H+]1CCCC12CCN(c1cc[nH]c(=O)c1[N+](=O)[O-])CC2 ZINC000596183746 343251056 /nfs/dbraw/zinc/25/10/56/343251056.db2.gz ZZTBMOXNNNFDEQ-UHFFFAOYSA-N 1 0 292.339 1.760 20 5 CDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000081365405 342367729 /nfs/dbraw/zinc/36/77/29/342367729.db2.gz SZYSDQNRDNWBHD-LLVKDONJSA-N 1 0 294.355 1.727 20 5 CDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000596243464 343285439 /nfs/dbraw/zinc/28/54/39/343285439.db2.gz GHYKSIDHMRJDBB-GXSJLCMTSA-N 1 0 250.302 1.519 20 5 CDBDRO C[NH2+][C@@H](C)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000136475827 342379418 /nfs/dbraw/zinc/37/94/18/342379418.db2.gz NOXZFNGFODYWQZ-ZETCQYMHSA-N 1 0 253.258 1.150 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])C[C@@H]21 ZINC000596262961 343279075 /nfs/dbraw/zinc/27/90/75/343279075.db2.gz KNYQHYMHDMJHCG-KCJUWKMLSA-N 1 0 282.731 1.784 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](C)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596235888 343282275 /nfs/dbraw/zinc/28/22/75/343282275.db2.gz BEDRPPTZPCJMRJ-VIFPVBQESA-N 1 0 268.317 1.836 20 5 CDBDRO C[C@H](CCNc1c(Cl)cncc1[N+](=O)[O-])[NH+](C)C ZINC000596431114 343319375 /nfs/dbraw/zinc/31/93/75/343319375.db2.gz MUTDUZOMZYSZQD-MRVPVSSYSA-N 1 0 272.736 1.817 20 5 CDBDRO C[C@@H](O)C[N@H+](CCO)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000289889352 342395546 /nfs/dbraw/zinc/39/55/46/342395546.db2.gz RUAPAYVEWWDBOK-GFCCVEGCSA-N 1 0 298.339 1.039 20 5 CDBDRO C[C@@H]1C[NH+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000090551263 342396503 /nfs/dbraw/zinc/39/65/03/342396503.db2.gz JDUNVIREARACLX-GHMZBOCLSA-N 1 0 265.313 1.344 20 5 CDBDRO COc1cc(C[NH2+][C@@H](C)CCCCO)c([N+](=O)[O-])cc1O ZINC000295048350 199318863 /nfs/dbraw/zinc/31/88/63/199318863.db2.gz NGFYZEHNBREBPU-JTQLQIEISA-N 1 0 298.339 1.950 20 5 CDBDRO C[NH2+]C1(CNc2c(Cl)cncc2[N+](=O)[O-])CCC1 ZINC000598634154 343849986 /nfs/dbraw/zinc/84/99/86/343849986.db2.gz QYFZZWGMGLWNNE-UHFFFAOYSA-N 1 0 270.720 1.619 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCN1CC[C@H](O)C1 ZINC000599018158 343945232 /nfs/dbraw/zinc/94/52/32/343945232.db2.gz FPWICDJQEHTGLD-MFBWXBCUSA-N 1 0 291.351 1.264 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ncc([N+](=O)[O-])s3)C[C@H]21 ZINC000599084921 343950985 /nfs/dbraw/zinc/95/09/85/343950985.db2.gz ZOXGYDIFYKJXDH-QMSLJYSESA-N 1 0 254.315 1.048 20 5 CDBDRO C[C@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[NH+](C)C ZINC000602141525 344349137 /nfs/dbraw/zinc/34/91/37/344349137.db2.gz OTPMIAJBCBCEFZ-SNVBAGLBSA-N 1 0 293.323 1.135 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000602597638 344503473 /nfs/dbraw/zinc/50/34/73/344503473.db2.gz WKGWHXVHCGLKRS-XPUUQOCRSA-N 1 0 255.299 1.218 20 5 CDBDRO COc1cc(C(=O)N2C[C@@H]([NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000602597572 344503714 /nfs/dbraw/zinc/50/37/14/344503714.db2.gz VKMDSMXCUGVVTH-SCZZXKLOSA-N 1 0 279.296 1.165 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602494727 344441435 /nfs/dbraw/zinc/44/14/35/344441435.db2.gz IYYOSHKXLAZRFL-MRVPVSSYSA-N 1 0 269.276 1.591 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000602594680 344486047 /nfs/dbraw/zinc/48/60/47/344486047.db2.gz CBXSYSNJOPFIQO-ONGXEEELSA-N 1 0 263.297 1.085 20 5 CDBDRO CC(C)[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CC[N@@H+]1C ZINC000602629400 344521481 /nfs/dbraw/zinc/52/14/81/344521481.db2.gz GFERUXUBZDJTDK-LBPRGKRZSA-N 1 0 281.360 1.100 20 5 CDBDRO CC[C@@H](CO)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602673646 344523592 /nfs/dbraw/zinc/52/35/92/344523592.db2.gz LZTWGIUHZWFISM-VIFPVBQESA-N 1 0 279.296 1.939 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCc1nccs1 ZINC000602803060 344592117 /nfs/dbraw/zinc/59/21/17/344592117.db2.gz YVMJQSXPGOVRAZ-UHFFFAOYSA-N 1 0 295.368 1.731 20 5 CDBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CCC1 ZINC000602779449 344595133 /nfs/dbraw/zinc/59/51/33/344595133.db2.gz MVQDCGPEKLXDPA-UHFFFAOYSA-N 1 0 252.318 1.974 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@@H]1CCCOC1 ZINC000602775330 344577916 /nfs/dbraw/zinc/57/79/16/344577916.db2.gz HUXHFWAAWPKVOG-LBPRGKRZSA-N 1 0 282.344 1.458 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCO)CC(C)(C)C ZINC000602775292 344578179 /nfs/dbraw/zinc/57/81/79/344578179.db2.gz GOXAPYOMRVPVJS-UHFFFAOYSA-N 1 0 284.360 1.440 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC2(CCOC2)CC1 ZINC000602796331 344587487 /nfs/dbraw/zinc/58/74/87/344587487.db2.gz FIRWQGCKYWJUTO-UHFFFAOYSA-N 1 0 294.355 1.602 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000602826244 344612099 /nfs/dbraw/zinc/61/20/99/344612099.db2.gz JUBCOHJEOONTIA-OLZOCXBDSA-N 1 0 294.355 1.743 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1ncn(C)n1 ZINC000536910958 282348337 /nfs/dbraw/zinc/34/83/37/282348337.db2.gz RRSZGFRGNZIWJP-LLVKDONJSA-N 1 0 289.339 1.925 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602842133 344622237 /nfs/dbraw/zinc/62/22/37/344622237.db2.gz QHZZDMWNSIAYMV-CMPLNLGQSA-N 1 0 282.344 1.457 20 5 CDBDRO C[NH+](C)CC1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000603866127 344839545 /nfs/dbraw/zinc/83/95/45/344839545.db2.gz NZNJIXTWGZBYOE-UHFFFAOYSA-N 1 0 264.329 1.768 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000127289781 187294634 /nfs/dbraw/zinc/29/46/34/187294634.db2.gz LNGAATYHELVPCY-CQSZACIVSA-N 1 0 277.324 1.760 20 5 CDBDRO C[C@](C[NH3+])(NC(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000127300809 187295993 /nfs/dbraw/zinc/29/59/93/187295993.db2.gz YPGXEYHHFUOKGU-CYBMUJFWSA-N 1 0 281.287 1.591 20 5 CDBDRO COC[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[NH2+]C1 ZINC000315300169 344943923 /nfs/dbraw/zinc/94/39/23/344943923.db2.gz KBEYJFAILHMKCX-AWEZNQCLSA-N 1 0 293.323 1.468 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000129260673 345279419 /nfs/dbraw/zinc/27/94/19/345279419.db2.gz NDEGIWSWQGSVIV-JQWIXIFHSA-N 1 0 277.324 1.855 20 5 CDBDRO C[C@]1(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000230731934 345440449 /nfs/dbraw/zinc/44/04/49/345440449.db2.gz ZYFGRTNBGRDMBM-LBPRGKRZSA-N 1 0 267.260 1.216 20 5 CDBDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000151095622 362624064 /nfs/dbraw/zinc/62/40/64/362624064.db2.gz IVTSIELWZTUFGI-GWCFXTLKSA-N 1 0 277.324 1.866 20 5 CDBDRO CC(C)([NH3+])CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000129614404 345726651 /nfs/dbraw/zinc/72/66/51/345726651.db2.gz QTEKZJSLFKERJV-UHFFFAOYSA-N 1 0 271.704 1.715 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H](O)C1CC1)OCCO2 ZINC000609620503 345979374 /nfs/dbraw/zinc/97/93/74/345979374.db2.gz GNLZSFTXSGMNIJ-LBPRGKRZSA-N 1 0 294.307 1.227 20 5 CDBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)CO ZINC000609894814 346036915 /nfs/dbraw/zinc/03/69/15/346036915.db2.gz AFMYKNFOAJKERG-UHFFFAOYSA-N 1 0 296.323 1.664 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000610077521 346168221 /nfs/dbraw/zinc/16/82/21/346168221.db2.gz VCNGVZLSFDHZNI-LLVKDONJSA-N 1 0 279.344 1.250 20 5 CDBDRO C[C@](CO)([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000610447863 346283856 /nfs/dbraw/zinc/28/38/56/346283856.db2.gz KUSLJYOZZMAZTF-CQSZACIVSA-N 1 0 290.323 1.289 20 5 CDBDRO CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000266001791 362696966 /nfs/dbraw/zinc/69/69/66/362696966.db2.gz LESKSZAMYVRUDW-UHFFFAOYSA-N 1 0 279.340 1.883 20 5 CDBDRO C[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000086471224 362712592 /nfs/dbraw/zinc/71/25/92/362712592.db2.gz YDGUZZMXFCNKKA-HTQZYQBOSA-N 1 0 281.341 1.491 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000221511288 346368797 /nfs/dbraw/zinc/36/87/97/346368797.db2.gz DFMLIJHABWHKOK-GXFFZTMASA-N 1 0 275.308 1.419 20 5 CDBDRO CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000611084617 346603090 /nfs/dbraw/zinc/60/30/90/346603090.db2.gz HJIWDLBYLJNMTM-NSHDSACASA-N 1 0 264.329 1.829 20 5 CDBDRO CC[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122515950 347652565 /nfs/dbraw/zinc/65/25/65/347652565.db2.gz MLQLYQSNCXUPHQ-WPRPVWTQSA-N 1 0 283.353 1.856 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000122553222 347657292 /nfs/dbraw/zinc/65/72/92/347657292.db2.gz VMSILCDQHLUSIR-MFKMUULPSA-N 1 0 277.324 1.794 20 5 CDBDRO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[C@@H]1[NH3+] ZINC000122569683 347659106 /nfs/dbraw/zinc/65/91/06/347659106.db2.gz WPMAAMUETZIQJS-IUCAKERBSA-N 1 0 266.301 1.122 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000614518082 348133111 /nfs/dbraw/zinc/13/31/11/348133111.db2.gz VZUCGJJMMIXRSF-LLVKDONJSA-N 1 0 279.344 1.393 20 5 CDBDRO C[C@@H]1C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000273421749 192144690 /nfs/dbraw/zinc/14/46/90/192144690.db2.gz YZZYWZGGBYALFB-UPJWGTAASA-N 1 0 294.351 1.922 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])c[nH]1 ZINC000046996469 348803467 /nfs/dbraw/zinc/80/34/67/348803467.db2.gz OSKTZXGMJLUVHD-CMPLNLGQSA-N 1 0 278.312 1.280 20 5 CDBDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000067413300 349023922 /nfs/dbraw/zinc/02/39/22/349023922.db2.gz NRLKXZNTFWPHBK-AWEZNQCLSA-N 1 0 291.351 1.943 20 5 CDBDRO CC(C)[C@@H](CCO)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000273997196 192396100 /nfs/dbraw/zinc/39/61/00/192396100.db2.gz KHNPYPPMMKDKQK-CQSZACIVSA-N 1 0 282.340 1.970 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000089450202 179792314 /nfs/dbraw/zinc/79/23/14/179792314.db2.gz TVJPNPFPODYCRL-BXKDBHETSA-N 1 0 263.297 1.908 20 5 CDBDRO C[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000091300474 180127691 /nfs/dbraw/zinc/12/76/91/180127691.db2.gz WBZWTMIDLNTYJI-GWCFXTLKSA-N 1 0 293.323 1.151 20 5 CDBDRO CCc1nn(C)c(NCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000091561285 180191915 /nfs/dbraw/zinc/19/19/15/180191915.db2.gz BUCHKDOMONSQKC-UHFFFAOYSA-N 1 0 267.333 1.397 20 5 CDBDRO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000105871195 186081212 /nfs/dbraw/zinc/08/12/12/186081212.db2.gz MLYGSBOGPNQUBS-JQWIXIFHSA-N 1 0 287.323 1.852 20 5 CDBDRO CC[C@@H]1C[N@H+](CC)CCN1c1ncccc1[N+](=O)[O-] ZINC000515986918 362980079 /nfs/dbraw/zinc/98/00/79/362980079.db2.gz VEFNQQHAMYXQCN-LLVKDONJSA-N 1 0 264.329 1.910 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000311968140 350735061 /nfs/dbraw/zinc/73/50/61/350735061.db2.gz OOLMFEUGEATZKU-VIFPVBQESA-N 1 0 265.317 1.468 20 5 CDBDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000111263822 186382053 /nfs/dbraw/zinc/38/20/53/186382053.db2.gz HSAILVNCYLCZPT-GFCCVEGCSA-N 1 0 277.324 1.553 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000134844053 187775256 /nfs/dbraw/zinc/77/52/56/187775256.db2.gz NDQUJOGVXKKVEQ-ZJUUUORDSA-N 1 0 277.324 1.913 20 5 CDBDRO CC(C)N(CC[NH+](C)C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000151953746 187988725 /nfs/dbraw/zinc/98/87/25/187988725.db2.gz VZVRNLYMXGQDCQ-UHFFFAOYSA-N 1 0 293.367 1.936 20 5 CDBDRO Cc1c(CC(=O)NC[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000292382586 198267624 /nfs/dbraw/zinc/26/76/24/198267624.db2.gz MYSZIQXLWAGPTN-NSHDSACASA-N 1 0 293.367 1.760 20 5 CDBDRO CSc1ccc(C(=O)N2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000155163465 188188005 /nfs/dbraw/zinc/18/80/05/188188005.db2.gz PDLPLJXKKWMGQZ-SECBINFHSA-N 1 0 295.364 1.751 20 5 CDBDRO CC(C)C(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000157331435 188310573 /nfs/dbraw/zinc/31/05/73/188310573.db2.gz CLPOCXKZQYTWKH-UHFFFAOYSA-N 1 0 279.340 1.799 20 5 CDBDRO Cc1c(NC(=O)NC[C@@H]2CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000274884023 366111054 /nfs/dbraw/zinc/11/10/54/366111054.db2.gz GGDYYAGRLHAZCD-NSHDSACASA-N 1 0 292.339 1.976 20 5 CDBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000112839626 366159081 /nfs/dbraw/zinc/15/90/81/366159081.db2.gz IFQSMYHTDFJCBU-HUUCEWRRSA-N 1 0 291.351 1.548 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)[C@H]2CCCOC2)c(F)c1 ZINC000411994165 363402537 /nfs/dbraw/zinc/40/25/37/363402537.db2.gz MUDFLOFXWYFBFF-SMDDNHRTSA-N 1 0 298.314 1.611 20 5 CDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000558728301 356043470 /nfs/dbraw/zinc/04/34/70/356043470.db2.gz XTGXBDSKLOYYRG-ZDUSSCGKSA-N 1 0 291.351 1.547 20 5 CDBDRO C[C@](O)(C[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000336699202 356234706 /nfs/dbraw/zinc/23/47/06/356234706.db2.gz JHZYZKCVPJLXSR-NSHDSACASA-N 1 0 256.327 1.907 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]([NH3+])CC(F)F ZINC000336839475 356296408 /nfs/dbraw/zinc/29/64/08/356296408.db2.gz ONYICGPIIOCAKL-VIFPVBQESA-N 1 0 287.266 1.536 20 5 CDBDRO Cc1cc(NC[C@]2(O)CC[N@@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000360047311 356476305 /nfs/dbraw/zinc/47/63/05/356476305.db2.gz LANIVWDKOSOVMP-CYBMUJFWSA-N 1 0 283.303 1.521 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(CCCO)CC2)c1 ZINC000360088954 356721085 /nfs/dbraw/zinc/72/10/85/356721085.db2.gz OLUNALCOBVTFNA-UHFFFAOYSA-N 1 0 282.344 1.276 20 5 CDBDRO [NH3+]C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000261558265 357224180 /nfs/dbraw/zinc/22/41/80/357224180.db2.gz DDECSMRGUQLPKM-LLVKDONJSA-N 1 0 253.277 1.657 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261868937 357337312 /nfs/dbraw/zinc/33/73/12/357337312.db2.gz YTFHHBJZLIFHMK-CQSZACIVSA-N 1 0 275.308 1.420 20 5 CDBDRO CC[C@H]1CN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1O ZINC000274348910 357368081 /nfs/dbraw/zinc/36/80/81/357368081.db2.gz WKMGKCJAAMHADX-TVQRCGJNSA-N 1 0 298.314 1.945 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000290735968 357495501 /nfs/dbraw/zinc/49/55/01/357495501.db2.gz RBDIEZOXTARHMU-SNVBAGLBSA-N 1 0 294.355 1.834 20 5 CDBDRO C[C@H](NC(=O)[C@]1(C)CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000062894159 357980078 /nfs/dbraw/zinc/98/00/78/357980078.db2.gz IVTXQCPHEPNYED-IINYFYTJSA-N 1 0 277.324 1.772 20 5 CDBDRO CCc1ccc(C(=O)NCC(F)(F)CN)cc1[N+](=O)[O-] ZINC000190213058 358060430 /nfs/dbraw/zinc/06/04/30/358060430.db2.gz RWLIDRAYOKTYNF-UHFFFAOYSA-N 1 0 287.266 1.481 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000294690328 199136730 /nfs/dbraw/zinc/13/67/30/199136730.db2.gz ADQIOXYFPLQGJA-LLVKDONJSA-N 1 0 294.355 1.275 20 5 CDBDRO CC1(C)CCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000191848084 358157142 /nfs/dbraw/zinc/15/71/42/358157142.db2.gz VIVWRVYNWCBAOV-SNVBAGLBSA-N 1 0 252.318 1.960 20 5 CDBDRO Cc1cnc(NCC2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000361270602 358136486 /nfs/dbraw/zinc/13/64/86/358136486.db2.gz GCWZDFSCFBLCCJ-UHFFFAOYSA-N 1 0 294.355 1.414 20 5 CDBDRO Cc1c(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000192536264 358213559 /nfs/dbraw/zinc/21/35/59/358213559.db2.gz VJYJYYSRFYKDRK-TXEJJXNPSA-N 1 0 289.335 1.537 20 5 CDBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1F ZINC000294748531 199164728 /nfs/dbraw/zinc/16/47/28/199164728.db2.gz CXNFZTQOTVSENQ-SNVBAGLBSA-N 1 0 295.314 1.996 20 5 CDBDRO C[C@H](CO)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)CC1CCC1 ZINC000361502104 358244719 /nfs/dbraw/zinc/24/47/19/358244719.db2.gz VLFIVELYEFSXDD-SNVBAGLBSA-N 1 0 282.344 1.311 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCOCCO)CCC2 ZINC000193275645 358280230 /nfs/dbraw/zinc/28/02/30/358280230.db2.gz PBUHGTBDSXOIEL-HNNXBMFYSA-N 1 0 294.351 1.961 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000361663362 358410566 /nfs/dbraw/zinc/41/05/66/358410566.db2.gz UCJXVNAEDVYOTG-ZYHUDNBSSA-N 1 0 250.298 1.655 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000567609635 358707664 /nfs/dbraw/zinc/70/76/64/358707664.db2.gz UTXUFTUMBJGZDE-JSGCOSHPSA-N 1 0 294.355 1.682 20 5 CDBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H](C)O ZINC000567727312 358724501 /nfs/dbraw/zinc/72/45/01/358724501.db2.gz KEUZFAHGVBCRPB-ZJUUUORDSA-N 1 0 277.324 1.978 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000186696069 358817069 /nfs/dbraw/zinc/81/70/69/358817069.db2.gz ULXRDGGVLABGFP-PRHODGIISA-N 1 0 281.287 1.462 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185071760 358772305 /nfs/dbraw/zinc/77/23/05/358772305.db2.gz JXTXZHKBTWTJJF-GDLCADMTSA-N 1 0 289.335 1.713 20 5 CDBDRO C[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072874665 358797726 /nfs/dbraw/zinc/79/77/26/358797726.db2.gz GXEXRARFSRNYGJ-VIFPVBQESA-N 1 0 263.297 1.678 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000186847841 358832369 /nfs/dbraw/zinc/83/23/69/358832369.db2.gz XBRKLEWVQJYKQT-KCJUWKMLSA-N 1 0 281.287 1.462 20 5 CDBDRO CC[N@H+](C)CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087356880 359003641 /nfs/dbraw/zinc/00/36/41/359003641.db2.gz IQRXYPYUHUDBCJ-UHFFFAOYSA-N 1 0 279.340 1.595 20 5 CDBDRO CC[C@@H](CO)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000120017855 359064354 /nfs/dbraw/zinc/06/43/54/359064354.db2.gz SNQFEMRZOXOQHM-MNOVXSKESA-N 1 0 295.339 1.672 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000048336893 359202314 /nfs/dbraw/zinc/20/23/14/359202314.db2.gz WMFBHWQZAYYNMT-VHSXEESVSA-N 1 0 265.317 1.367 20 5 CDBDRO CC(C)CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000075637663 359288330 /nfs/dbraw/zinc/28/83/30/359288330.db2.gz VOTDWNOQSDAKEZ-AWEZNQCLSA-N 1 0 296.371 1.663 20 5 CDBDRO Cc1ccc(CN2CC[C@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000339001873 359268374 /nfs/dbraw/zinc/26/83/74/359268374.db2.gz ZPPMBZIXVKDNBI-CYBMUJFWSA-N 1 0 268.288 1.810 20 5 CDBDRO O=C(CC[C@H]1CCC[NH2+]C1)NCc1ccccc1[N+](=O)[O-] ZINC000050015981 359276237 /nfs/dbraw/zinc/27/62/37/359276237.db2.gz WUSDRDXJQPSURP-GFCCVEGCSA-N 1 0 291.351 1.991 20 5 CDBDRO CC[C@@H]1CN(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000487152853 359370911 /nfs/dbraw/zinc/37/09/11/359370911.db2.gz GCFRKGNDRFITOL-OAHLLOKOSA-N 1 0 293.367 1.795 20 5 CDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CCC[NH2+]C1 ZINC000050162340 359352552 /nfs/dbraw/zinc/35/25/52/359352552.db2.gz DUAHZFZTIZLBJB-UWVGGRQHSA-N 1 0 280.328 1.051 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000571831746 359619071 /nfs/dbraw/zinc/61/90/71/359619071.db2.gz OAFUKBNUINIUKO-AWEZNQCLSA-N 1 0 289.335 1.838 20 5 CDBDRO C[NH2+]CCCOc1cccc(C(=O)OC)c1[N+](=O)[O-] ZINC000571878779 359648891 /nfs/dbraw/zinc/64/88/91/359648891.db2.gz SEHVNMHHBLAUJH-UHFFFAOYSA-N 1 0 268.269 1.370 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000297384220 200171351 /nfs/dbraw/zinc/17/13/51/200171351.db2.gz NGYGKOGVDXWHLP-ZWNOBZJWSA-N 1 0 293.323 1.312 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000297432809 200188777 /nfs/dbraw/zinc/18/87/77/200188777.db2.gz TXOZPPISAKTZNK-PSASIEDQSA-N 1 0 278.312 1.129 20 5 CDBDRO CC1=CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000270135430 359905819 /nfs/dbraw/zinc/90/58/19/359905819.db2.gz HPFCTPONJAFJGB-CQSZACIVSA-N 1 0 292.335 1.987 20 5 CDBDRO C[C@H](CC(N)=O)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135716413 359951141 /nfs/dbraw/zinc/95/11/41/359951141.db2.gz GVIOLWCUIJYEQK-BDAKNGLRSA-N 1 0 251.286 1.509 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000135882282 360139033 /nfs/dbraw/zinc/13/90/33/360139033.db2.gz SXQHRNFIFLFFKO-RKDXNWHRSA-N 1 0 281.287 1.543 20 5 CDBDRO Cc1ccc(C(=O)NC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000063020175 360124066 /nfs/dbraw/zinc/12/40/66/360124066.db2.gz AUFVFIYPZMTTKD-UHFFFAOYSA-N 1 0 251.286 1.370 20 5 CDBDRO COCC(COC)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449544628 360216609 /nfs/dbraw/zinc/21/66/09/360216609.db2.gz QYKZMPPSPOGPND-NSHDSACASA-N 1 0 282.340 1.777 20 5 CDBDRO CC(C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000514746917 360217943 /nfs/dbraw/zinc/21/79/43/360217943.db2.gz HOVURIIXRUQMLQ-UHFFFAOYSA-N 1 0 263.297 1.482 20 5 CDBDRO CCc1ccc(C(=O)N2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000178582418 189128703 /nfs/dbraw/zinc/12/87/03/189128703.db2.gz ZPAXLJRRPABGRU-JTQLQIEISA-N 1 0 277.324 1.578 20 5 CDBDRO CC(C)[N@H+](CCOCCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000172622124 360728205 /nfs/dbraw/zinc/72/82/05/360728205.db2.gz PFYNRWUZYWFYTN-UHFFFAOYSA-N 1 0 282.340 1.814 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000178977555 189158685 /nfs/dbraw/zinc/15/86/85/189158685.db2.gz DVSMJGYZVRTGHO-SECBINFHSA-N 1 0 297.742 1.930 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1F ZINC000053253113 361402918 /nfs/dbraw/zinc/40/29/18/361402918.db2.gz LCXOPTLOAQKOIF-QMMMGPOBSA-N 1 0 267.260 1.216 20 5 CDBDRO COc1ccc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000168626820 364031148 /nfs/dbraw/zinc/03/11/48/364031148.db2.gz UPVSAEPPTGQZFF-ZYHUDNBSSA-N 1 0 279.340 1.773 20 5 CDBDRO CCc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]C)cc1[N+](=O)[O-] ZINC000237136373 364053697 /nfs/dbraw/zinc/05/36/97/364053697.db2.gz MBEWGUIZNLAVPN-CYBMUJFWSA-N 1 0 291.351 1.981 20 5 CDBDRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000168166637 364126476 /nfs/dbraw/zinc/12/64/76/364126476.db2.gz APWHNVFIKLJWMZ-XYZCENFISA-N 1 0 256.327 1.451 20 5 CDBDRO C[C@@](C[NH3+])(NC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000148960954 364564235 /nfs/dbraw/zinc/56/42/35/364564235.db2.gz GTFOEXWIONYYJN-ZDUSSCGKSA-N 1 0 263.297 1.452 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CO)[C@@H]2CCCO2)cc1 ZINC000447912435 364575465 /nfs/dbraw/zinc/57/54/65/364575465.db2.gz KAGNLYYURCRUQM-KGLIPLIRSA-N 1 0 280.324 1.267 20 5 CDBDRO COC(=O)[C@H](C)C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000175159522 364629880 /nfs/dbraw/zinc/62/98/80/364629880.db2.gz JYQIDRILUARVDY-SNVBAGLBSA-N 1 0 296.327 1.065 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000104218693 364800461 /nfs/dbraw/zinc/80/04/61/364800461.db2.gz IJJDDTCRDSUSIB-VIFPVBQESA-N 1 0 267.285 1.071 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](c3ccncc3)C2)n1 ZINC000575426885 364861536 /nfs/dbraw/zinc/86/15/36/364861536.db2.gz CKFYYBNWJGWICN-ZDUSSCGKSA-N 1 0 287.323 1.676 20 5 CDBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@@H]1CCNC1=O ZINC000573132823 365253019 /nfs/dbraw/zinc/25/30/19/365253019.db2.gz KTVXGEROHMPMDY-ZDUSSCGKSA-N 1 0 291.351 1.595 20 5 CDBDRO CO[C@@H](C[NH3+])CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000232115002 366949684 /nfs/dbraw/zinc/94/96/84/366949684.db2.gz OOLPRKJUWOBSJU-JOYOIKCWSA-N 1 0 281.312 1.136 20 5 CDBDRO Cc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)nn1C ZINC000414320932 241154136 /nfs/dbraw/zinc/15/41/36/241154136.db2.gz BVNSVUWDMOFDDC-UHFFFAOYSA-N 1 0 274.324 1.969 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC000386324503 366969538 /nfs/dbraw/zinc/96/95/38/366969538.db2.gz UOXGOCPQJPLTKL-MNOVXSKESA-N 1 0 280.324 1.806 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCCC[NH3+] ZINC000414652023 241302142 /nfs/dbraw/zinc/30/21/42/241302142.db2.gz CVPGOJHHDFWUBY-UHFFFAOYSA-N 1 0 266.301 1.764 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)[NH3+] ZINC000414652164 241302476 /nfs/dbraw/zinc/30/24/76/241302476.db2.gz GGGMEHNILJRUTF-UHFFFAOYSA-N 1 0 282.300 1.462 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000269128289 367161054 /nfs/dbraw/zinc/16/10/54/367161054.db2.gz NEWXHIKQRMRLJA-MRVPVSSYSA-N 1 0 283.715 1.682 20 5 CDBDRO Cc1ccc(CN[C@@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000414993492 241506202 /nfs/dbraw/zinc/50/62/02/241506202.db2.gz SPTCHAZIZKETHV-JTQLQIEISA-N 1 0 273.283 1.975 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000094339789 367266877 /nfs/dbraw/zinc/26/68/77/367266877.db2.gz JGLYHEGQRURTEI-QWRGUYRKSA-N 1 0 277.324 1.713 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417145249 242336805 /nfs/dbraw/zinc/33/68/05/242336805.db2.gz WVXOWWXLCAJPLB-MWLCHTKSSA-N 1 0 280.328 1.692 20 5 CDBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000133585799 283981580 /nfs/dbraw/zinc/98/15/80/283981580.db2.gz IGFPXRVUUNAPBF-MRVPVSSYSA-N 1 0 267.260 1.073 20 5 CDBDRO C[NH+](C)CCO[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000352053597 367679296 /nfs/dbraw/zinc/67/92/96/367679296.db2.gz UUYQCHSTMVEGLB-GFCCVEGCSA-N 1 0 297.330 1.891 20 5 CDBDRO Cc1n[nH]c(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000272611363 367782362 /nfs/dbraw/zinc/78/23/62/367782362.db2.gz WFTMRFNVIBIWFH-SECBINFHSA-N 1 0 275.312 1.915 20 5 CDBDRO C[NH+]1CCC(C)(CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000272618677 367783447 /nfs/dbraw/zinc/78/34/47/367783447.db2.gz XSPDZWXLUSIBTM-UHFFFAOYSA-N 1 0 281.312 1.650 20 5 CDBDRO CC(C)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCC1 ZINC000193213432 367988885 /nfs/dbraw/zinc/98/88/85/367988885.db2.gz RBTGUAZMUKXTMA-CQSZACIVSA-N 1 0 296.371 1.663 20 5 CDBDRO C[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000269219441 367943478 /nfs/dbraw/zinc/94/34/78/367943478.db2.gz QXOHTGKMSXWEOO-LLVKDONJSA-N 1 0 291.351 1.693 20 5 CDBDRO C[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000269214371 367946730 /nfs/dbraw/zinc/94/67/30/367946730.db2.gz OYCLSGHKPTXLGO-GWCFXTLKSA-N 1 0 293.323 1.169 20 5 CDBDRO C[C@H](NC(=O)N1CC[NH2+]C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000418228898 242799039 /nfs/dbraw/zinc/79/90/39/242799039.db2.gz FOBARHACFNNSAJ-QWRGUYRKSA-N 1 0 292.339 1.659 20 5 CDBDRO C[NH+]1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000037562708 369079655 /nfs/dbraw/zinc/07/96/55/369079655.db2.gz YDCVYHZJPZKGDK-UHFFFAOYSA-N 1 0 255.343 1.840 20 5 CDBDRO [NH3+]CC1(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCCC1 ZINC001580245180 1172380972 /nfs/dbraw/zinc/38/09/72/1172380972.db2.gz BUOUXSGEMZPWJJ-UHFFFAOYSA-N 1 0 279.296 1.302 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000420632983 244298872 /nfs/dbraw/zinc/29/88/72/244298872.db2.gz ILZCJBWDNFWJFN-NSHDSACASA-N 1 0 292.339 1.224 20 5 CDBDRO [NH3+][C@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000346078154 369443004 /nfs/dbraw/zinc/44/30/04/369443004.db2.gz BHDFIPFYEROPDR-VIFPVBQESA-N 1 0 253.277 1.657 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000262021805 284173033 /nfs/dbraw/zinc/17/30/33/284173033.db2.gz MLQGYFRDLNNXER-JTQLQIEISA-N 1 0 289.291 1.823 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000038048662 370069494 /nfs/dbraw/zinc/06/94/94/370069494.db2.gz LMJDVLYTGILTDL-VXGBXAGGSA-N 1 0 263.297 1.595 20 5 CDBDRO CC[C@@H](CO)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000295719139 370589669 /nfs/dbraw/zinc/58/96/69/370589669.db2.gz NXFHPVDUZQEMMK-WCQYABFASA-N 1 0 298.339 1.037 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000414926474 371107513 /nfs/dbraw/zinc/10/75/13/371107513.db2.gz NHCYHWVBVGETMW-NEPJUHHUSA-N 1 0 279.340 1.963 20 5 CDBDRO Cc1c(CC(=O)N[C@@](C)(C[NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000422848895 245327504 /nfs/dbraw/zinc/32/75/04/245327504.db2.gz BHLDFCWFPILQJE-HNNXBMFYSA-N 1 0 293.367 1.935 20 5 CDBDRO Cc1nc(NCC[N@H+]2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000296453038 371767509 /nfs/dbraw/zinc/76/75/09/371767509.db2.gz ITDYYZIIUYIFER-JTQLQIEISA-N 1 0 279.344 1.837 20 5 CDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000344644638 372791720 /nfs/dbraw/zinc/79/17/20/372791720.db2.gz CPHBVBKAIAIVSV-SNVBAGLBSA-N 1 0 280.328 1.005 20 5 CDBDRO CCc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)o1 ZINC000151281969 372783401 /nfs/dbraw/zinc/78/34/01/372783401.db2.gz RCWUDLMPDVBCCW-UHFFFAOYSA-N 1 0 264.285 1.737 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000133826720 372847346 /nfs/dbraw/zinc/84/73/46/372847346.db2.gz WSDLQWDGYODCOQ-LLVKDONJSA-N 1 0 294.355 1.825 20 5 CDBDRO CC(C)C[N@@H+](CC(N)=O)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269667617 373550916 /nfs/dbraw/zinc/55/09/16/373550916.db2.gz SZAUFKCFTAUOEY-CYBMUJFWSA-N 1 0 295.339 1.072 20 5 CDBDRO C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000299533863 373656094 /nfs/dbraw/zinc/65/60/94/373656094.db2.gz RGPANJMVCDFHNP-LBPRGKRZSA-N 1 0 263.297 1.305 20 5 CDBDRO COCC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269672300 373673022 /nfs/dbraw/zinc/67/30/22/373673022.db2.gz VEVUUYIEZCDXOY-OAHLLOKOSA-N 1 0 294.351 1.987 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000168983435 373852109 /nfs/dbraw/zinc/85/21/09/373852109.db2.gz DYWBUMPJNMBZBQ-MRVPVSSYSA-N 1 0 266.301 1.056 20 5 CDBDRO C[NH+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065208219 374257294 /nfs/dbraw/zinc/25/72/94/374257294.db2.gz MNBKPIQPRQVXDH-UHFFFAOYSA-N 1 0 265.313 1.221 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000114147991 374297348 /nfs/dbraw/zinc/29/73/48/374297348.db2.gz QWAOIHGURWYEPV-NSHDSACASA-N 1 0 277.324 1.619 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000066137735 374303994 /nfs/dbraw/zinc/30/39/94/374303994.db2.gz XGUKMEJKUOWFIG-JTQLQIEISA-N 1 0 294.355 1.637 20 5 CDBDRO C[C@H]1C[C@H](CO)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000420954312 374307788 /nfs/dbraw/zinc/30/77/88/374307788.db2.gz ZKASMXQBSDMAHF-STQMWFEESA-N 1 0 294.351 1.924 20 5 CDBDRO C[C@@H]1C[C@H](CO)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000420954310 374308212 /nfs/dbraw/zinc/30/82/12/374308212.db2.gz ZKASMXQBSDMAHF-OLZOCXBDSA-N 1 0 294.351 1.924 20 5 CDBDRO CCC[C@@]1(CO)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000368584246 374320132 /nfs/dbraw/zinc/32/01/32/374320132.db2.gz VTDWFKBIJNQQAI-CYBMUJFWSA-N 1 0 282.344 1.276 20 5 CDBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1csc([N+](=O)[O-])c1 ZINC000299050473 374340504 /nfs/dbraw/zinc/34/05/04/374340504.db2.gz SJHSPTGVKORINM-VIFPVBQESA-N 1 0 295.364 1.870 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423464999 374383148 /nfs/dbraw/zinc/38/31/48/374383148.db2.gz WJGVFAHDGDWFAS-SECBINFHSA-N 1 0 288.307 1.468 20 5 CDBDRO CCS(=O)(=O)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000086974347 374408630 /nfs/dbraw/zinc/40/86/30/374408630.db2.gz AGSHQOKGDBCINF-UHFFFAOYSA-N 1 0 286.353 1.509 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000424034937 246300888 /nfs/dbraw/zinc/30/08/88/246300888.db2.gz RNDWPHJNAMHPMV-UHFFFAOYSA-N 1 0 297.380 1.998 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000378919179 374662254 /nfs/dbraw/zinc/66/22/54/374662254.db2.gz CGLUSBZROVCVEM-NSHDSACASA-N 1 0 280.328 1.051 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])cn1 ZINC000274532157 374676207 /nfs/dbraw/zinc/67/62/07/374676207.db2.gz YZNLTECEOMTAME-UHFFFAOYSA-N 1 0 250.302 1.520 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000299508586 374677552 /nfs/dbraw/zinc/67/75/52/374677552.db2.gz LXWMVHBNGIZTDW-LBPRGKRZSA-N 1 0 293.323 1.314 20 5 CDBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000447808855 374714181 /nfs/dbraw/zinc/71/41/81/374714181.db2.gz WSCIBVZIINIUOF-LLVKDONJSA-N 1 0 279.344 1.917 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](CO)[C@H]2CCCO2)c1 ZINC000447904371 374722248 /nfs/dbraw/zinc/72/22/48/374722248.db2.gz JWNHACYRUCMUPE-UONOGXRCSA-N 1 0 296.323 1.103 20 5 CDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC000019432101 374734614 /nfs/dbraw/zinc/73/46/14/374734614.db2.gz BUSBQDWCTMWHKL-VOTSOKGWSA-N 1 0 275.308 1.430 20 5 CDBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000330572384 374867077 /nfs/dbraw/zinc/86/70/77/374867077.db2.gz NHTFQHIVOILPFX-PWSUYJOCSA-N 1 0 252.318 1.960 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347256281 374987263 /nfs/dbraw/zinc/98/72/63/374987263.db2.gz IRRYPXHWVCUFQB-UHFFFAOYSA-N 1 0 284.291 1.759 20 5 CDBDRO C[C@]1(C(N)=O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000280275698 374990175 /nfs/dbraw/zinc/99/01/75/374990175.db2.gz MZRLPDOBTCWQPP-ZDUSSCGKSA-N 1 0 297.742 1.946 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NCC[N@H+]1CC=CCC1 ZINC000280356725 374993013 /nfs/dbraw/zinc/99/30/13/374993013.db2.gz XCEJMRHOSUVYPJ-UHFFFAOYSA-N 1 0 251.290 1.002 20 5 CDBDRO Cn1cc(CC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cn1 ZINC000332172841 375011055 /nfs/dbraw/zinc/01/10/55/375011055.db2.gz QEUGNFGPKGIJMH-UHFFFAOYSA-N 1 0 287.323 1.324 20 5 CDBDRO C[C@@]1(C(N)=O)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000280720791 375015835 /nfs/dbraw/zinc/01/58/35/375015835.db2.gz KFPVAQULWGLRCL-CQSZACIVSA-N 1 0 277.324 1.335 20 5 CDBDRO CCN(Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCNC1=O ZINC000282208699 375071558 /nfs/dbraw/zinc/07/15/58/375071558.db2.gz DFTXVGBDKMZZPS-LBPRGKRZSA-N 1 0 293.323 1.314 20 5 CDBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCCF ZINC000282654633 375099124 /nfs/dbraw/zinc/09/91/24/375099124.db2.gz IFOFLHZOLVAIKI-NXEZZACHSA-N 1 0 283.303 1.720 20 5 CDBDRO CCC[N@H+](CC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000299341759 375164307 /nfs/dbraw/zinc/16/43/07/375164307.db2.gz FCCRBCGDRJIOKG-UHFFFAOYSA-N 1 0 265.313 1.926 20 5 CDBDRO C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000299611448 375185858 /nfs/dbraw/zinc/18/58/58/375185858.db2.gz YYCBYRWHMSSZNM-ZWNOBZJWSA-N 1 0 277.324 1.866 20 5 CDBDRO COc1ccc(CNC(=O)[C@H]([NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000353468117 375614878 /nfs/dbraw/zinc/61/48/78/375614878.db2.gz BTXMEVAUPQQMQC-LLVKDONJSA-N 1 0 295.339 1.593 20 5 CDBDRO CC[C@H](CO)[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000294011953 375623004 /nfs/dbraw/zinc/62/30/04/375623004.db2.gz YFPFIRNIHOHCBL-LLVKDONJSA-N 1 0 268.313 1.806 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000354982808 375766155 /nfs/dbraw/zinc/76/61/55/375766155.db2.gz WETDJEGKRBFNFS-SNVBAGLBSA-N 1 0 295.314 1.758 20 5 CDBDRO C[C@@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H]1C ZINC000355348525 375793414 /nfs/dbraw/zinc/79/34/14/375793414.db2.gz ZSGXSWDADIQDHN-NXEZZACHSA-N 1 0 252.318 1.949 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000232237387 375844465 /nfs/dbraw/zinc/84/44/65/375844465.db2.gz BBIPGTNYPWKPDD-LLVKDONJSA-N 1 0 281.287 1.606 20 5 CDBDRO O=C(CC[C@@H]1CCC[NH2+]1)NCc1ccc([N+](=O)[O-])cc1 ZINC000261719409 190043338 /nfs/dbraw/zinc/04/33/38/190043338.db2.gz KALYHQSZAKYOPE-LBPRGKRZSA-N 1 0 277.324 1.743 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000307914485 376309367 /nfs/dbraw/zinc/30/93/67/376309367.db2.gz OHTUADFDVXDVLC-QMMMGPOBSA-N 1 0 269.326 1.527 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000262597219 190058390 /nfs/dbraw/zinc/05/83/90/190058390.db2.gz LCLCTSTYJYSHNC-VIFPVBQESA-N 1 0 298.318 1.563 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000262880741 190064324 /nfs/dbraw/zinc/06/43/24/190064324.db2.gz NJKLWGVFTWJTQU-YPMHNXCESA-N 1 0 291.351 1.784 20 5 CDBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000262712941 190061165 /nfs/dbraw/zinc/06/11/65/190061165.db2.gz CXKHNDNNSJYBOY-MWLCHTKSSA-N 1 0 293.323 1.331 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264463913 190111640 /nfs/dbraw/zinc/11/16/40/190111640.db2.gz FCYKEGJGOCYBIW-NSHDSACASA-N 1 0 292.339 1.623 20 5 CDBDRO C[N@@H+]1CC[C@@H](Cn2cc([N+](=O)[O-])c(C3CC3)n2)C1 ZINC000436213164 248232660 /nfs/dbraw/zinc/23/26/60/248232660.db2.gz XVDBOGUOPOBVSI-SECBINFHSA-N 1 0 250.302 1.620 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000189306733 377228414 /nfs/dbraw/zinc/22/84/14/377228414.db2.gz YOQBBTCIYZJXFH-GXFFZTMASA-N 1 0 277.324 1.774 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000264924979 190144630 /nfs/dbraw/zinc/14/46/30/190144630.db2.gz QSCWXKHZSCSASZ-UHFFFAOYSA-N 1 0 285.731 1.930 20 5 CDBDRO Cc1ccnc(N2CC[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000265286805 190172272 /nfs/dbraw/zinc/17/22/72/190172272.db2.gz XHUIAAPBJLZHFH-LLVKDONJSA-N 1 0 264.329 1.686 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(CO)CCCC2)c1 ZINC000053044753 377637033 /nfs/dbraw/zinc/63/70/33/377637033.db2.gz VESWGTXBASIHMA-UHFFFAOYSA-N 1 0 250.298 1.990 20 5 CDBDRO C[C@@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCC[N@@H+]1C ZINC000345290858 377816652 /nfs/dbraw/zinc/81/66/52/377816652.db2.gz MHNSNNPACRSGAL-MWLCHTKSSA-N 1 0 292.339 1.390 20 5 CDBDRO CCCN(CC(=O)NC)Cc1cccc([N+](=O)[O-])c1C ZINC000056508342 378510480 /nfs/dbraw/zinc/51/04/80/378510480.db2.gz BCZITHLRLODNDL-UHFFFAOYSA-N 1 0 279.340 1.861 20 5 CDBDRO C[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000441449365 249881185 /nfs/dbraw/zinc/88/11/85/249881185.db2.gz QIIZCBOZJKMTJO-MDZLAQPJSA-N 1 0 282.344 1.273 20 5 CDBDRO Cc1ccc(C(=O)N2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000041028588 379248111 /nfs/dbraw/zinc/24/81/11/379248111.db2.gz NQPWEAYNNLNJIG-LLVKDONJSA-N 1 0 263.297 1.467 20 5 CDBDRO C[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000266869218 190285656 /nfs/dbraw/zinc/28/56/56/190285656.db2.gz MSDKNKCMPQIAKX-SWLSCSKDSA-N 1 0 293.367 1.702 20 5 CDBDRO O=C(CC[N@H+]1CC[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000266963104 190293738 /nfs/dbraw/zinc/29/37/38/190293738.db2.gz XLHIUQUMDQXORY-NSHDSACASA-N 1 0 293.323 1.238 20 5 CDBDRO Cc1nn(C)c(NC[C@]2([NH+](C)C)CCSC2)c1[N+](=O)[O-] ZINC000267141351 190306256 /nfs/dbraw/zinc/30/62/56/190306256.db2.gz XYFSZNVPNDDSRW-GFCCVEGCSA-N 1 0 299.400 1.486 20 5 CDBDRO COC[C@](C)(O)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449387080 250833610 /nfs/dbraw/zinc/83/36/10/250833610.db2.gz VUCUSMQXSLCMBA-IUODEOHRSA-N 1 0 296.367 1.903 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCN2CCCOCC2)cc1 ZINC000289389691 285114447 /nfs/dbraw/zinc/11/44/47/285114447.db2.gz DTPHTQRDIXUTAQ-UHFFFAOYSA-N 1 0 279.340 1.407 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@]2(CCO)CCOC2)cc1 ZINC000278536094 285115703 /nfs/dbraw/zinc/11/57/03/285115703.db2.gz WEGGKFHTHIJJOX-CYBMUJFWSA-N 1 0 266.297 1.226 20 5 CDBDRO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000186873934 390144729 /nfs/dbraw/zinc/14/47/29/390144729.db2.gz LTADVVNXZNBPPC-RISCZKNCSA-N 1 0 280.324 1.676 20 5 CDBDRO COc1cc(C[NH2+]C[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])cc1O ZINC000599007399 390319892 /nfs/dbraw/zinc/31/98/92/390319892.db2.gz QHTIYOFXNZUAJM-WAAGHKOSSA-N 1 0 282.296 1.170 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000261721616 390484226 /nfs/dbraw/zinc/48/42/26/390484226.db2.gz KIOXYUXUIMJERE-GIPNMCIBSA-N 1 0 277.324 1.711 20 5 CDBDRO Cc1ccc(N2CC[NH+](CC(C)(C)O)CC2)c([N+](=O)[O-])c1 ZINC000071382182 390487506 /nfs/dbraw/zinc/48/75/06/390487506.db2.gz OMYSVXHOMXVFLH-UHFFFAOYSA-N 1 0 293.367 1.796 20 5 CDBDRO C[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000338795416 390668834 /nfs/dbraw/zinc/66/88/34/390668834.db2.gz PACWBXMPISONJU-AOOOYVTPSA-N 1 0 292.339 1.223 20 5 CDBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000449196964 390683017 /nfs/dbraw/zinc/68/30/17/390683017.db2.gz UOTZEFZNTFVEKY-GFCCVEGCSA-N 1 0 252.318 1.960 20 5 CDBDRO Cc1c(C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000262778932 390939448 /nfs/dbraw/zinc/93/94/48/390939448.db2.gz LYUZFYWCAPRXMH-QWRGUYRKSA-N 1 0 277.324 1.726 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](CC)C[C@@H]1C ZINC000340872478 390946550 /nfs/dbraw/zinc/94/65/50/390946550.db2.gz ISUNQHXDSOSRCZ-JTQLQIEISA-N 1 0 281.360 1.650 20 5 CDBDRO COc1ccc(CN[C@@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000415030894 391247057 /nfs/dbraw/zinc/24/70/57/391247057.db2.gz DBJKPCPWLZXFPP-CYBMUJFWSA-N 1 0 279.340 1.834 20 5 CDBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000345064079 391345002 /nfs/dbraw/zinc/34/50/02/391345002.db2.gz VYXNGNSTUDVQJI-UHFFFAOYSA-N 1 0 294.355 1.868 20 5 CDBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415380914 391377346 /nfs/dbraw/zinc/37/73/46/391377346.db2.gz HOUKPEPLOFJJFY-ZDUSSCGKSA-N 1 0 295.343 1.297 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000415432475 391430748 /nfs/dbraw/zinc/43/07/48/391430748.db2.gz FSYWSAYYMYDJFT-SECBINFHSA-N 1 0 296.327 1.580 20 5 CDBDRO O=C(NC[C@@H]1CC[NH2+]C1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415628720 391469713 /nfs/dbraw/zinc/46/97/13/391469713.db2.gz GGFRECKYGOKBMJ-MRVPVSSYSA-N 1 0 282.275 1.465 20 5 CDBDRO CC(C)=CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000397648366 391631461 /nfs/dbraw/zinc/63/14/61/391631461.db2.gz DQFNANZRXNAKEI-LBPRGKRZSA-N 1 0 268.317 1.098 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH3+])c1 ZINC000237280886 391578699 /nfs/dbraw/zinc/57/86/99/391578699.db2.gz UDGKLLFGCYSKTK-MRVPVSSYSA-N 1 0 283.353 1.641 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000438012012 391717020 /nfs/dbraw/zinc/71/70/20/391717020.db2.gz PCJOZXLUZDELPJ-BETUJISGSA-N 1 0 261.325 1.921 20 5 CDBDRO [NH3+]CC[C@H](NCc1cccc([N+](=O)[O-])c1)C(F)F ZINC000414985966 391684859 /nfs/dbraw/zinc/68/48/59/391684859.db2.gz GPXWKHHNCQEDLR-JTQLQIEISA-N 1 0 259.256 1.667 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1NCC1CC[NH+](CCO)CC1 ZINC000342219857 130391137 /nfs/dbraw/zinc/39/11/37/130391137.db2.gz HVZTXCHPCKFSAX-UHFFFAOYSA-N 1 0 297.330 1.850 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000416288277 391983411 /nfs/dbraw/zinc/98/34/11/391983411.db2.gz GQQMXBBJACQMFG-UHFFFAOYSA-N 1 0 263.297 1.419 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(C)C1=O ZINC000449179065 392047334 /nfs/dbraw/zinc/04/73/34/392047334.db2.gz VDKSLVMKCNFGBH-WCQYABFASA-N 1 0 291.351 1.736 20 5 CDBDRO CNC(=O)CC[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266739871 392091975 /nfs/dbraw/zinc/09/19/75/392091975.db2.gz NEOMOACVAQBRAI-SNVBAGLBSA-N 1 0 265.313 1.724 20 5 CDBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000459770047 392504647 /nfs/dbraw/zinc/50/46/47/392504647.db2.gz GWTSUMVWOODVAL-JIMOISOXSA-N 1 0 289.335 1.972 20 5 CDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]C1 ZINC000417759473 392874594 /nfs/dbraw/zinc/87/45/94/392874594.db2.gz DUYUZJCVKPJRDQ-GFCCVEGCSA-N 1 0 292.339 1.189 20 5 CDBDRO [NH3+][C@H]1Cc2ccccc2N(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000420395805 392917837 /nfs/dbraw/zinc/91/78/37/392917837.db2.gz CILOZKZMTSRJQX-LBPRGKRZSA-N 1 0 287.323 1.181 20 5 CDBDRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000421361003 392933640 /nfs/dbraw/zinc/93/36/40/392933640.db2.gz KAPWJVFNNJIVQN-HAQNSBGRSA-N 1 0 291.351 1.976 20 5 CDBDRO C[C@H](C[NH3+])N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000430941048 393106846 /nfs/dbraw/zinc/10/68/46/393106846.db2.gz TXCYUZMJINERSR-SNVBAGLBSA-N 1 0 253.302 1.253 20 5 CDBDRO C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1[NH3+] ZINC000430946809 393107449 /nfs/dbraw/zinc/10/74/49/393107449.db2.gz YBXPLCXQMPVOFD-ONGXEEELSA-N 1 0 290.323 1.905 20 5 CDBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000282043117 393169799 /nfs/dbraw/zinc/16/97/99/393169799.db2.gz ARNPVUHSGYHTLR-LBPRGKRZSA-N 1 0 293.323 1.184 20 5 CDBDRO CSc1ccc(C(=O)N[C@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000449596578 393136138 /nfs/dbraw/zinc/13/61/38/393136138.db2.gz XTYMDYVTMGFNOH-JGVFFNPUSA-N 1 0 283.353 1.782 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)ccc1[N+](=O)[O-] ZINC000449657768 393137527 /nfs/dbraw/zinc/13/75/27/393137527.db2.gz QQXLRIYZOXQHLL-NSHDSACASA-N 1 0 299.277 1.630 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H](C)N1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000493887352 393224772 /nfs/dbraw/zinc/22/47/72/393224772.db2.gz CWMGHDQTDUAODD-PHIMTYICSA-N 1 0 292.339 1.216 20 5 CDBDRO COCC[NH2+]CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000216078196 140162023 /nfs/dbraw/zinc/16/20/23/140162023.db2.gz QMUZJLAHNUXWIF-UHFFFAOYSA-N 1 0 290.323 1.791 20 5 CDBDRO [NH3+]CC[C@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000226780758 140181678 /nfs/dbraw/zinc/18/16/78/140181678.db2.gz KJXHETREPQWZMK-MRVPVSSYSA-N 1 0 256.331 1.617 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC[N@@H+]1C ZINC000231677256 140217170 /nfs/dbraw/zinc/21/71/70/140217170.db2.gz DDBCZSOFWFNCRK-GXSJLCMTSA-N 1 0 293.323 1.513 20 5 CDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[NH2+]CC1 ZINC000232237300 140221885 /nfs/dbraw/zinc/22/18/85/140221885.db2.gz BEWQCLKJQRFAIH-LJLILKBBSA-N 1 0 289.335 1.866 20 5 CDBDRO Cc1cnc(N2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261568214 140350391 /nfs/dbraw/zinc/35/03/91/140350391.db2.gz JAIYSRXFAGNMMX-LBPRGKRZSA-N 1 0 250.302 1.473 20 5 CDBDRO COc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000261820853 140393973 /nfs/dbraw/zinc/39/39/73/140393973.db2.gz TYIYQJAEOUINOX-GHMZBOCLSA-N 1 0 277.324 1.649 20 5 CDBDRO C[C@]1(C[NH3+])CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000261825529 140395473 /nfs/dbraw/zinc/39/54/73/140395473.db2.gz UFTQKAIZUAFIMM-CQSZACIVSA-N 1 0 277.324 1.335 20 5 CDBDRO C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000135221800 397910189 /nfs/dbraw/zinc/91/01/89/397910189.db2.gz XLTFHRUUUMWMND-VHSXEESVSA-N 1 0 295.314 1.852 20 5 CDBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000289447296 398100754 /nfs/dbraw/zinc/10/07/54/398100754.db2.gz BGNMHEATZVQCNR-OLZOCXBDSA-N 1 0 289.335 1.872 20 5 CDBDRO Cc1cnc(N2CCC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000090692651 292907259 /nfs/dbraw/zinc/90/72/59/292907259.db2.gz SLAZWPNJQOVSPT-MNOVXSKESA-N 1 0 264.329 1.862 20 5 CDBDRO C[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000253196587 398131974 /nfs/dbraw/zinc/13/19/74/398131974.db2.gz SYLWWGIGDNEHOQ-NXEZZACHSA-N 1 0 250.302 1.411 20 5 CDBDRO Cc1c([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cnn1C ZINC000180965835 148171254 /nfs/dbraw/zinc/17/12/54/148171254.db2.gz GTKLVSMBTWUDDV-VIFPVBQESA-N 1 0 278.316 1.184 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000262083570 149012068 /nfs/dbraw/zinc/01/20/68/149012068.db2.gz QSJKSJJXYTWZJE-UWVGGRQHSA-N 1 0 299.352 1.143 20 5 CDBDRO CC[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000323370684 149264208 /nfs/dbraw/zinc/26/42/08/149264208.db2.gz DYQHDAGOIQMETC-XQQFMLRXSA-N 1 0 266.297 1.395 20 5 CDBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)CC(N)=O)cccc1[N+](=O)[O-] ZINC000343096196 152029326 /nfs/dbraw/zinc/02/93/26/152029326.db2.gz MDINSJGVDDXVMD-WCBMZHEXSA-N 1 0 265.313 1.818 20 5 CDBDRO Cc1nn(C)c(N[C@H]2CCC[N@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000343596372 152238063 /nfs/dbraw/zinc/23/80/63/152238063.db2.gz HCACDTPPAHQYGB-UWVGGRQHSA-N 1 0 267.333 1.531 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000344029757 152395512 /nfs/dbraw/zinc/39/55/12/152395512.db2.gz AQXXZZHEPKAXEV-OCCSQVGLSA-N 1 0 294.355 1.274 20 5 CDBDRO Cn1c(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000346313527 153136057 /nfs/dbraw/zinc/13/60/57/153136057.db2.gz GIFMOQYMXRRURX-AWEZNQCLSA-N 1 0 292.339 1.101 20 5 CDBDRO C[NH2+][C@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000346681256 153270386 /nfs/dbraw/zinc/27/03/86/153270386.db2.gz CQQAJHIXWJVSKZ-AGLBCWCQSA-N 1 0 261.325 1.902 20 5 CDBDRO COc1cccc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000261710402 286458275 /nfs/dbraw/zinc/45/82/75/286458275.db2.gz JIZZTWGUEGJMQA-QWRGUYRKSA-N 1 0 277.324 1.649 20 5 CDBDRO CCCC[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1C ZINC000352315678 155090200 /nfs/dbraw/zinc/09/02/00/155090200.db2.gz OVAANHBFZUWCKH-UHFFFAOYSA-N 1 0 266.345 1.864 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000375250518 160357586 /nfs/dbraw/zinc/35/75/86/160357586.db2.gz OOGPHIJIFJVKRN-RISCZKNCSA-N 1 0 275.308 1.841 20 5 CDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@]1(CO)CCOC1 ZINC000359576687 158293375 /nfs/dbraw/zinc/29/33/75/158293375.db2.gz FFMHMCPDJOSQQQ-CQSZACIVSA-N 1 0 296.323 1.057 20 5 CDBDRO CSc1cccc(C(=O)NC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000362842951 159250461 /nfs/dbraw/zinc/25/04/61/159250461.db2.gz NBARHYBJZIKSIS-VIFPVBQESA-N 1 0 297.380 1.997 20 5 CDBDRO Cc1cccc(C(=O)N2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000041028598 292415375 /nfs/dbraw/zinc/41/53/75/292415375.db2.gz HWIONIQTIJUHGZ-SNVBAGLBSA-N 1 0 263.297 1.467 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1CN1CCNC(=O)C[C@H]1C ZINC000373786011 160227088 /nfs/dbraw/zinc/22/70/88/160227088.db2.gz DVWYYPUFGDTOJW-SNVBAGLBSA-N 1 0 293.323 1.314 20 5 CDBDRO COc1ccc(C(=O)N2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000020495250 171226986 /nfs/dbraw/zinc/22/69/86/171226986.db2.gz ZLGMPYWQJVKVLD-UHFFFAOYSA-N 1 0 293.323 1.381 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000020495510 171227389 /nfs/dbraw/zinc/22/73/89/171227389.db2.gz XFXSICIANCTXCV-UHFFFAOYSA-N 1 0 277.324 1.301 20 5 CDBDRO CC(C)C(=O)NCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285268007 196237009 /nfs/dbraw/zinc/23/70/09/196237009.db2.gz QQHXMEQWBWEXEP-JTQLQIEISA-N 1 0 294.355 1.600 20 5 CDBDRO CO[C@H](C)C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000285550160 196323586 /nfs/dbraw/zinc/32/35/86/196323586.db2.gz GJKMUONQOMTPNW-DGCLKSJQSA-N 1 0 298.339 1.301 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000285703179 196372055 /nfs/dbraw/zinc/37/20/55/196372055.db2.gz LRSXDZCDISEEJV-SNVBAGLBSA-N 1 0 281.312 1.548 20 5 CDBDRO Cc1ccc(NC(=O)CC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000037395502 173175965 /nfs/dbraw/zinc/17/59/65/173175965.db2.gz QBOLVEKITSMUBI-UHFFFAOYSA-N 1 0 263.297 1.984 20 5 CDBDRO C[C@H]([NH2+]CCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000038047386 174056987 /nfs/dbraw/zinc/05/69/87/174056987.db2.gz LMCUBJZADDVZIR-JTQLQIEISA-N 1 0 286.353 1.680 20 5 CDBDRO COC[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000038079337 174089388 /nfs/dbraw/zinc/08/93/88/174089388.db2.gz KEKZLUPTLZLFPV-SNVBAGLBSA-N 1 0 254.286 1.598 20 5 CDBDRO CN(C)C(=O)CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000043448472 175049083 /nfs/dbraw/zinc/04/90/83/175049083.db2.gz GOVWYFLBOPZAQY-UHFFFAOYSA-N 1 0 279.340 1.595 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000044501710 175185842 /nfs/dbraw/zinc/18/58/42/175185842.db2.gz JPCDRHFBYJRORS-VIFPVBQESA-N 1 0 281.287 1.463 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000071143117 176040813 /nfs/dbraw/zinc/04/08/13/176040813.db2.gz QBPYPLPVRUSWLZ-SNVBAGLBSA-N 1 0 263.297 1.276 20 5 CDBDRO COC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000071267736 176100966 /nfs/dbraw/zinc/10/09/66/176100966.db2.gz UZLOXMADMZSPPG-JQWIXIFHSA-N 1 0 268.313 1.561 20 5 CDBDRO CCN(Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CC[NH2+]C1 ZINC000071313939 176120515 /nfs/dbraw/zinc/12/05/15/176120515.db2.gz WZURWMFBEAFETL-ZDUSSCGKSA-N 1 0 279.340 1.787 20 5 CDBDRO COCC(C)(C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000076494062 177028494 /nfs/dbraw/zinc/02/84/94/177028494.db2.gz NAYVTKMVQCNFHX-UHFFFAOYSA-N 1 0 268.313 1.988 20 5 CDBDRO Cc1nn(C)c(NC[C@H](C2CC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000078727590 177377267 /nfs/dbraw/zinc/37/72/67/177377267.db2.gz MACKZSBRTILCSR-SNVBAGLBSA-N 1 0 267.333 1.389 20 5 CDBDRO CN1CC[NH2+]C[C@@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000394803543 270338932 /nfs/dbraw/zinc/33/89/32/270338932.db2.gz GKKLJQWYDGKORA-SECBINFHSA-N 1 0 268.292 1.049 20 5 CDBDRO CN(C(=O)/C=C\c1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000214659951 260043994 /nfs/dbraw/zinc/04/39/94/260043994.db2.gz NXDCILLTBOLIBV-CFHLNLSMSA-N 1 0 275.308 1.428 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000322999823 260119612 /nfs/dbraw/zinc/11/96/12/260119612.db2.gz FHHAYEJTBAGKOI-ZETCQYMHSA-N 1 0 257.315 1.271 20 5 CDBDRO Cc1c(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000320391327 270329285 /nfs/dbraw/zinc/32/92/85/270329285.db2.gz TYDYCLYERXFUCP-BDAKNGLRSA-N 1 0 265.313 1.759 20 5 CDBDRO CN1CC[NH2+]C[C@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000394806996 270339065 /nfs/dbraw/zinc/33/90/65/270339065.db2.gz XCGIENRRIPUQGX-JTQLQIEISA-N 1 0 284.747 1.564 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000070176864 274289860 /nfs/dbraw/zinc/28/98/60/274289860.db2.gz KXJBZVIPJJDJPM-MFKMUULPSA-N 1 0 277.324 1.794 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000307915411 274763182 /nfs/dbraw/zinc/76/31/82/274763182.db2.gz RQVSMFXAOCJCFR-GFCCVEGCSA-N 1 0 277.324 1.774 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000089108572 274948089 /nfs/dbraw/zinc/94/80/89/274948089.db2.gz IATWQXQHSWWQDI-WPRPVWTQSA-N 1 0 251.290 1.314 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(NC3CC[NH2+]CC3)nc2c1 ZINC000094772095 275037727 /nfs/dbraw/zinc/03/77/27/275037727.db2.gz VITKRQHMMYGJMO-UHFFFAOYSA-N 1 0 261.285 1.635 20 5 CDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000236813068 275691741 /nfs/dbraw/zinc/69/17/41/275691741.db2.gz XKOUUXUHWYEKKX-CQSZACIVSA-N 1 0 295.339 1.463 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332184706 277061879 /nfs/dbraw/zinc/06/18/79/277061879.db2.gz XNMQIPSBSDYCOA-CYBMUJFWSA-N 1 0 290.367 1.832 20 5 CDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ncc([N+](=O)[O-])s2)C1 ZINC000248891152 277182011 /nfs/dbraw/zinc/18/20/11/277182011.db2.gz AZHGJHIJSSFLIN-UWVGGRQHSA-N 1 0 282.369 1.972 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000261591820 277293581 /nfs/dbraw/zinc/29/35/81/277293581.db2.gz YAWHGGIBWYXREK-VIFPVBQESA-N 1 0 251.286 1.241 20 5 CDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000342565773 278366077 /nfs/dbraw/zinc/36/60/77/278366077.db2.gz PKEQFOHREKOBMX-JTQLQIEISA-N 1 0 295.314 1.900 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000261574397 279158950 /nfs/dbraw/zinc/15/89/50/279158950.db2.gz BBKQVKFITDVDJD-NSHDSACASA-N 1 0 281.341 1.479 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418512864 279260186 /nfs/dbraw/zinc/26/01/86/279260186.db2.gz AEHWEVRNZQGLJN-SNVBAGLBSA-N 1 0 292.339 1.400 20 5 CDBDRO NC(=O)C1(NCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119818989 279372082 /nfs/dbraw/zinc/37/20/82/279372082.db2.gz XWFZMYMRJQHDPX-UHFFFAOYSA-N 1 0 269.688 1.356 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261598648 280372764 /nfs/dbraw/zinc/37/27/64/280372764.db2.gz PERPGEGOIJGCFX-NXEZZACHSA-N 1 0 265.288 1.780 20 5 CDBDRO CC[C@@H]1CCC[C@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515166477 280880548 /nfs/dbraw/zinc/88/05/48/280880548.db2.gz RCNATGDGBNATQS-DYEKYZERSA-N 1 0 296.371 1.568 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c1 ZINC000277899872 281012256 /nfs/dbraw/zinc/01/22/56/281012256.db2.gz XOELGJLFATVJFR-QWHCGFSZSA-N 1 0 293.367 1.795 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](C)CC1 ZINC000192897065 281256762 /nfs/dbraw/zinc/25/67/62/281256762.db2.gz BZDFQMGIIIWCEZ-UHFFFAOYSA-N 1 0 277.324 1.681 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000278020504 281257594 /nfs/dbraw/zinc/25/75/94/281257594.db2.gz QCAOPQHQRISSFT-LLVKDONJSA-N 1 0 277.324 1.727 20 5 CDBDRO CCc1ccc(C(=O)N(C)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000179115718 281393822 /nfs/dbraw/zinc/39/38/22/281393822.db2.gz AYKKPPVOZZZAJJ-GFCCVEGCSA-N 1 0 277.324 1.591 20 5 CDBDRO Cc1cnc(N2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000266177683 281603921 /nfs/dbraw/zinc/60/39/21/281603921.db2.gz BCAFKPKHEIUONH-UHFFFAOYSA-N 1 0 276.340 1.830 20 5 CDBDRO COc1cc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000154150076 289195970 /nfs/dbraw/zinc/19/59/70/289195970.db2.gz KLLNUOVNUQAXLI-ONGXEEELSA-N 1 0 293.323 1.555 20 5 CDBDRO COCC(C)(C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000154873592 289220355 /nfs/dbraw/zinc/22/03/55/289220355.db2.gz QACCXDQFCFMDNL-UHFFFAOYSA-N 1 0 295.339 1.572 20 5 CDBDRO C[NH+](C)[C@H]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000255770568 289385944 /nfs/dbraw/zinc/38/59/44/289385944.db2.gz IYMWEFCPKMBCND-AFNCTOJWSA-N 1 0 289.335 1.771 20 5 CDBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000551899977 290023631 /nfs/dbraw/zinc/02/36/31/290023631.db2.gz KDHVMCLYFRGVFA-UHFFFAOYSA-N 1 0 295.343 1.264 20 5 CDBDRO CSC[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000564862369 293436427 /nfs/dbraw/zinc/43/64/27/293436427.db2.gz CSXGBYBNHNUZKP-LLVKDONJSA-N 1 0 270.354 1.717 20 5 CDBDRO C[C@H](O)C[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567876624 293896283 /nfs/dbraw/zinc/89/62/83/293896283.db2.gz VKQLSPVBLSDGGO-QWRGUYRKSA-N 1 0 295.339 1.672 20 5 CDBDRO O=C(NCC1CC[NH2+]CC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000568963625 294129579 /nfs/dbraw/zinc/12/95/79/294129579.db2.gz CIBWFIRHUWIQKH-UHFFFAOYSA-N 1 0 296.302 1.855 20 5 CDBDRO CC[N@H+](C)C[C@@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000570354185 294222994 /nfs/dbraw/zinc/22/29/94/294222994.db2.gz VJFMKYGYXBXGFH-JSGCOSHPSA-N 1 0 295.383 1.866 20 5 CDBDRO CO[C@@H]1COC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000574516580 295011308 /nfs/dbraw/zinc/01/13/08/295011308.db2.gz LZELCVHQAXXMNE-CHWSQXEVSA-N 1 0 266.297 1.141 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000131985458 295253111 /nfs/dbraw/zinc/25/31/11/295253111.db2.gz LEVOTIBITOTJTA-QMMMGPOBSA-N 1 0 256.693 1.571 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000423965987 295253646 /nfs/dbraw/zinc/25/36/46/295253646.db2.gz WLUAGDFICZEEJH-LDYMZIIASA-N 1 0 279.296 1.023 20 5 CDBDRO O=C(CC[NH2+]C1CC1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000563417867 316303810 /nfs/dbraw/zinc/30/38/10/316303810.db2.gz QVTHLZNQSNJDQP-UHFFFAOYSA-N 1 0 292.339 1.265 20 5 CDBDRO C[C@H](C(=O)NCCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000184736253 323371842 /nfs/dbraw/zinc/37/18/42/323371842.db2.gz RPIPOXDEEHLZAZ-JTQLQIEISA-N 1 0 297.330 1.905 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000382462920 323642176 /nfs/dbraw/zinc/64/21/76/323642176.db2.gz XUYZTGXLXXOIPJ-WDEREUQCSA-N 1 0 277.324 1.760 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000579122276 324112986 /nfs/dbraw/zinc/11/29/86/324112986.db2.gz XZQRQNLYDSFXQP-UWVGGRQHSA-N 1 0 293.323 1.461 20 5 CDBDRO C[C@@H](C(=O)NC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000579427529 324181534 /nfs/dbraw/zinc/18/15/34/324181534.db2.gz MTGQQCNVJVFNDR-LLVKDONJSA-N 1 0 291.351 1.909 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000579580819 324221839 /nfs/dbraw/zinc/22/18/39/324221839.db2.gz MYMWKTWHTXKUCZ-SMDDNHRTSA-N 1 0 279.340 1.561 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2CCC(O)CC2)cc1 ZINC000582920704 325071477 /nfs/dbraw/zinc/07/14/77/325071477.db2.gz LPCCEKWEPNNPGS-UHFFFAOYSA-N 1 0 280.324 1.867 20 5 CDBDRO CNc1ccc(C(=O)N[C@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000583793092 325240902 /nfs/dbraw/zinc/24/09/02/325240902.db2.gz RRUVCYGKQLKANO-LBPRGKRZSA-N 1 0 292.339 1.507 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000583920941 325266789 /nfs/dbraw/zinc/26/67/89/325266789.db2.gz WPWVSSQYWZPEHT-VIFPVBQESA-N 1 0 266.301 1.131 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1C[NH2+]C1 ZINC000584457687 329488955 /nfs/dbraw/zinc/48/89/55/329488955.db2.gz WAJFJCQJQHQXBD-UHFFFAOYSA-N 1 0 264.285 1.305 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000320717493 1160366516 /nfs/dbraw/zinc/36/65/16/1160366516.db2.gz QTSZWKCQHIPNSG-JGVFFNPUSA-N 1 0 269.276 1.590 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000236763618 521649764 /nfs/dbraw/zinc/64/97/64/521649764.db2.gz CGKUPDKHROXAFC-UHFFFAOYSA-N 1 0 295.339 1.607 20 5 CDBDRO CCOC1CC2(C1)CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000367759231 521654232 /nfs/dbraw/zinc/65/42/32/521654232.db2.gz XNOAKIZAPBANRU-UHFFFAOYSA-N 1 0 294.355 1.682 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000111303937 522330598 /nfs/dbraw/zinc/33/05/98/522330598.db2.gz BSUHLGDFGJOQDY-QMMMGPOBSA-N 1 0 252.274 1.454 20 5 CDBDRO Cc1cc(Cl)nc(-n2ccnc2C(N)=[NH2+])c1[N+](=O)[O-] ZINC001157621420 1162241114 /nfs/dbraw/zinc/24/11/14/1162241114.db2.gz LOKPXPDLMNIYRT-UHFFFAOYSA-N 1 0 280.675 1.421 20 5 CDBDRO C[N@H+](CCn1cccn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000067412006 523004120 /nfs/dbraw/zinc/00/41/20/523004120.db2.gz KWCUCXPJLBWAFM-UHFFFAOYSA-N 1 0 260.297 1.923 20 5 CDBDRO COC(=O)[C@@H](C)C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000067651509 523500495 /nfs/dbraw/zinc/50/04/95/523500495.db2.gz RONDMWFAZMJOSW-NSHDSACASA-N 1 0 296.323 1.715 20 5 CDBDRO CO[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000226409671 523687500 /nfs/dbraw/zinc/68/75/00/523687500.db2.gz RFUTWQHUEVRXCS-ZIAGYGMSSA-N 1 0 279.340 1.533 20 5 CDBDRO COc1ccc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000227074383 524036672 /nfs/dbraw/zinc/03/66/72/524036672.db2.gz GCILFOASLOFDHN-CMPLNLGQSA-N 1 0 279.340 1.773 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000226780767 525011251 /nfs/dbraw/zinc/01/12/51/525011251.db2.gz QWRRTZHUWJWSKI-HTQZYQBOSA-N 1 0 256.331 1.615 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](CO)C(C)C ZINC000156402666 526079750 /nfs/dbraw/zinc/07/97/50/526079750.db2.gz JPVMDBXDPHXVJU-CYBMUJFWSA-N 1 0 295.339 1.448 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000163506395 526259997 /nfs/dbraw/zinc/25/99/97/526259997.db2.gz CJHXRHNWPGCPDA-AAEUAGOBSA-N 1 0 291.351 1.960 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000070256208 526726620 /nfs/dbraw/zinc/72/66/20/526726620.db2.gz RZUIPMHTYUTFMK-ZDUSSCGKSA-N 1 0 289.335 1.601 20 5 CDBDRO O=C(C[C@H]1CCC[NH2+]1)NCc1cccc([N+](=O)[O-])c1 ZINC000052943181 527166904 /nfs/dbraw/zinc/16/69/04/527166904.db2.gz XUFNHMQXEOKRIU-LLVKDONJSA-N 1 0 263.297 1.353 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000050245610 527216234 /nfs/dbraw/zinc/21/62/34/527216234.db2.gz UWVWRPBLTJBRMP-QMMMGPOBSA-N 1 0 267.260 1.155 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1COCCO1 ZINC000338715467 527397787 /nfs/dbraw/zinc/39/77/87/527397787.db2.gz GOGNJMMCDBRIII-DXTPNHAXSA-N 1 0 278.308 1.613 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000307913127 527794331 /nfs/dbraw/zinc/79/43/31/527794331.db2.gz KSTUXTTXJNFSGM-GFCCVEGCSA-N 1 0 277.324 1.394 20 5 CDBDRO CN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000179053308 535977559 /nfs/dbraw/zinc/97/75/59/535977559.db2.gz NYDDGJJSSUWRPE-CYBMUJFWSA-N 1 0 277.324 1.348 20 5 CDBDRO C[NH2+][C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000261651613 536412441 /nfs/dbraw/zinc/41/24/41/536412441.db2.gz AAUVEOMXYQJKDD-LBPRGKRZSA-N 1 0 279.340 1.657 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179119541 536950560 /nfs/dbraw/zinc/95/05/60/536950560.db2.gz SIGUWXTZFXMTOD-SNVBAGLBSA-N 1 0 279.296 1.037 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](CCO)C2CC2)c1 ZINC000771807445 575615760 /nfs/dbraw/zinc/61/57/60/575615760.db2.gz ZMWJYYDIGBODEG-KGLIPLIRSA-N 1 0 280.324 1.379 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)OCC[C@H]1CCCC[N@@H+]1C ZINC000766969994 576151240 /nfs/dbraw/zinc/15/12/40/576151240.db2.gz YMGSDBMNPZGEKM-SNVBAGLBSA-N 1 0 296.327 1.360 20 5 CDBDRO CC(C)C[NH+]1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000891502645 617448737 /nfs/dbraw/zinc/44/87/37/617448737.db2.gz KGAIARHHXWYMQE-UHFFFAOYSA-N 1 0 267.333 1.106 20 5 CDBDRO CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000982933180 614949700 /nfs/dbraw/zinc/94/97/00/614949700.db2.gz FMVAHFNVFJPDNK-JOCQHMNTSA-N 1 0 291.351 1.989 20 5 CDBDRO C[NH+]1CCC(CNc2ccc3nonc3c2[N+](=O)[O-])CC1 ZINC000892253890 617580144 /nfs/dbraw/zinc/58/01/44/617580144.db2.gz HPZVZLNJGTVXEE-UHFFFAOYSA-N 1 0 291.311 1.885 20 5 CDBDRO Cc1noc(CN2CC[C@@H]([NH+](C)C)[C@@H]2C)c1[N+](=O)[O-] ZINC000931036419 617584164 /nfs/dbraw/zinc/58/41/64/617584164.db2.gz FTPDWGKHXGTEEU-VHSXEESVSA-N 1 0 268.317 1.416 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000891781903 617586360 /nfs/dbraw/zinc/58/63/60/617586360.db2.gz LVWCEUOXZGBTLF-SECBINFHSA-N 1 0 265.317 1.225 20 5 CDBDRO CC(C)(CCc1noc([C@H]2C[C@@H]([NH3+])C2)n1)[N+](=O)[O-] ZINC000843232683 617948700 /nfs/dbraw/zinc/94/87/00/617948700.db2.gz ABYXFJXFJIGCKS-OCAPTIKFSA-N 1 0 254.290 1.262 20 5 CDBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1c([N+](=O)[O-])cnn1C ZINC000892697950 617599610 /nfs/dbraw/zinc/59/96/10/617599610.db2.gz ZHEYKSUUFVKFKK-LLVKDONJSA-N 1 0 281.360 1.639 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CCCC2(CC[NH+](C)CC2)C1 ZINC000893669392 617817030 /nfs/dbraw/zinc/81/70/30/617817030.db2.gz XHWSGLZZRGDLCZ-UHFFFAOYSA-N 1 0 293.371 1.641 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000893549392 618098702 /nfs/dbraw/zinc/09/87/02/618098702.db2.gz SLWDVTSIRHOJEA-AOOOYVTPSA-N 1 0 292.295 1.501 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cnc[nH]2)cc1 ZINC000894229425 618738909 /nfs/dbraw/zinc/73/89/09/618738909.db2.gz RBXHZUOTTIBFLP-UHFFFAOYSA-N 1 0 262.269 1.487 20 5 CDBDRO NC(=O)CC1(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000894967610 619165917 /nfs/dbraw/zinc/16/59/17/619165917.db2.gz NHDPXRUSAHTORC-UHFFFAOYSA-N 1 0 297.742 1.993 20 5 CDBDRO CCC[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[NH2+]1 ZINC000895059763 619243420 /nfs/dbraw/zinc/24/34/20/619243420.db2.gz XEPRMMWFERGSSB-JTQLQIEISA-N 1 0 250.302 1.568 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2c1ncc([N+](=O)[O-])cc1F ZINC000895192320 619442884 /nfs/dbraw/zinc/44/28/84/619442884.db2.gz ZFGUHVYNRIXPBC-VHSXEESVSA-N 1 0 280.303 1.802 20 5 CDBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000909602194 620494078 /nfs/dbraw/zinc/49/40/78/620494078.db2.gz SPHWIQHZJKBWFX-DGCLKSJQSA-N 1 0 277.324 1.660 20 5 CDBDRO [NH3+]C1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000902412755 624736587 /nfs/dbraw/zinc/73/65/87/624736587.db2.gz CXWMYLPBFVBPKR-ZDUSSCGKSA-N 1 0 275.352 1.997 20 5 CDBDRO COc1ccc(CC[NH2+]CC[N+](=O)[O-])cc1OC(F)F ZINC000905090315 626605036 /nfs/dbraw/zinc/60/50/36/626605036.db2.gz RLRHOQLVAFPPLO-UHFFFAOYSA-N 1 0 290.266 1.705 20 5 CDBDRO O=[N+]([O-])CCNC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000905097972 626637710 /nfs/dbraw/zinc/63/77/10/626637710.db2.gz PJVVGKWSQBFZHU-OAHLLOKOSA-N 1 0 277.368 1.417 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000905153003 626638327 /nfs/dbraw/zinc/63/83/27/626638327.db2.gz GWKIWBVRWROIGT-UHFFFAOYSA-N 1 0 285.388 1.135 20 5 CDBDRO COCCC[C@@H](Cc1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000905244451 626701084 /nfs/dbraw/zinc/70/10/84/626701084.db2.gz YHADANVNQHBOCA-AWEZNQCLSA-N 1 0 266.341 1.891 20 5 CDBDRO CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](C)C1 ZINC000910287418 628963561 /nfs/dbraw/zinc/96/35/61/628963561.db2.gz GUPBPFYZSXHMEI-JTQLQIEISA-N 1 0 280.328 1.479 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911672570 629399800 /nfs/dbraw/zinc/39/98/00/629399800.db2.gz MHDKXIPFPAZGRA-KWCYVHTRSA-N 1 0 289.335 1.567 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911813474 629506767 /nfs/dbraw/zinc/50/67/67/629506767.db2.gz MYTDOJOIOOKPCZ-JIMOISOXSA-N 1 0 277.324 1.504 20 5 CDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000915624254 631779466 /nfs/dbraw/zinc/77/94/66/631779466.db2.gz MWUAIJDRHSCYJL-SECBINFHSA-N 1 0 269.301 1.504 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H](C[NH+](C)C)C1 ZINC000749391225 695320454 /nfs/dbraw/zinc/32/04/54/695320454.db2.gz BUVNNZLPOJUNKW-JTQLQIEISA-N 1 0 267.333 1.106 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000873130555 695347644 /nfs/dbraw/zinc/34/76/44/695347644.db2.gz HRCKQBJAULDXOC-OAHLLOKOSA-N 1 0 291.351 1.970 20 5 CDBDRO COc1cc(CN(C)C[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000863653317 695367436 /nfs/dbraw/zinc/36/74/36/695367436.db2.gz HTLOGDJVOUJOAX-VIFPVBQESA-N 1 0 283.328 1.391 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923282001 695438118 /nfs/dbraw/zinc/43/81/18/695438118.db2.gz SQPXHLNLDDVGRT-KBPBESRZSA-N 1 0 279.340 1.441 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000853646451 695534768 /nfs/dbraw/zinc/53/47/68/695534768.db2.gz SJVMEPPPIUDCDE-MNOVXSKESA-N 1 0 289.339 1.771 20 5 CDBDRO O=C(CC[NH2+]CC1CC1)NCc1cccc([N+](=O)[O-])c1 ZINC000717163688 695575180 /nfs/dbraw/zinc/57/51/80/695575180.db2.gz GQZFWUWBXIBMBW-UHFFFAOYSA-N 1 0 277.324 1.601 20 5 CDBDRO C[C@@H](C[NH3+])c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000822646287 695595431 /nfs/dbraw/zinc/59/54/31/695595431.db2.gz DTYHAPHWHMNXKE-QMMMGPOBSA-N 1 0 262.269 1.631 20 5 CDBDRO CC1(C)[C@H]([NH3+])C[C@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000883442045 695701132 /nfs/dbraw/zinc/70/11/32/695701132.db2.gz DDEJZJDGWMFWIW-VXGBXAGGSA-N 1 0 267.304 1.949 20 5 CDBDRO CCN(C)C(=O)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866340102 695708394 /nfs/dbraw/zinc/70/83/94/695708394.db2.gz BWNDRAAJFITWLB-SNVBAGLBSA-N 1 0 297.330 1.733 20 5 CDBDRO C[C@@H]1CSC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000796398754 695711877 /nfs/dbraw/zinc/71/18/77/695711877.db2.gz QIFQXKVOZQCITD-WQAKAFBOSA-N 1 0 282.365 1.969 20 5 CDBDRO CN1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818940886 695746360 /nfs/dbraw/zinc/74/63/60/695746360.db2.gz IYBWVUVAUMJAEP-CQSZACIVSA-N 1 0 279.340 1.312 20 5 CDBDRO C[C@@H]1[C@H](C)N(C(=O)CCC(C)(C)[N+](=O)[O-])CC[N@H+]1C ZINC000827739922 695748647 /nfs/dbraw/zinc/74/86/47/695748647.db2.gz SZULRCQSSUQYHJ-MNOVXSKESA-N 1 0 271.361 1.373 20 5 CDBDRO C[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000923375957 695774386 /nfs/dbraw/zinc/77/43/86/695774386.db2.gz SLQGPDWAIGTXJF-KYOSRNDESA-N 1 0 293.367 1.545 20 5 CDBDRO CO[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000886232107 695810382 /nfs/dbraw/zinc/81/03/82/695810382.db2.gz PVVJQJSEAUTHNM-CMPLNLGQSA-N 1 0 265.313 1.847 20 5 CDBDRO CC[NH2+]CCNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000884023829 695810902 /nfs/dbraw/zinc/81/09/02/695810902.db2.gz YXVNGLNIBYHFLS-UHFFFAOYSA-N 1 0 265.313 1.551 20 5 CDBDRO [NH3+]C[C@@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000050249903 695818192 /nfs/dbraw/zinc/81/81/92/695818192.db2.gz JHXDEWWEKVHFBL-JTQLQIEISA-N 1 0 272.308 1.928 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1 ZINC000886575025 695825056 /nfs/dbraw/zinc/82/50/56/695825056.db2.gz CBTPMOKWPHGHOB-ATGSNQNLSA-N 1 0 292.335 1.331 20 5 CDBDRO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000886129494 695826296 /nfs/dbraw/zinc/82/62/96/695826296.db2.gz GXUIKMLONIUZPG-GXSJLCMTSA-N 1 0 251.286 1.504 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@]1(O)CCOC1 ZINC000873099218 695834758 /nfs/dbraw/zinc/83/47/58/695834758.db2.gz ZKZYANPSHZSAJN-CQSZACIVSA-N 1 0 280.324 1.453 20 5 CDBDRO CNc1nccc(C(=O)OCCn2ccnc2)c1[N+](=O)[O-] ZINC000848790677 695849214 /nfs/dbraw/zinc/84/92/14/695849214.db2.gz HHQBMUCPSYMXGW-UHFFFAOYSA-N 1 0 291.267 1.085 20 5 CDBDRO C[C@H]([NH3+])CN(C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000312018452 695853413 /nfs/dbraw/zinc/85/34/13/695853413.db2.gz ULPHOQMMISOJHB-NVDWLVSRSA-N 1 0 263.297 1.414 20 5 CDBDRO CC(C)(C[NH3+])c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000843169911 695862222 /nfs/dbraw/zinc/86/22/22/695862222.db2.gz VZWWBIMMSAAATF-UHFFFAOYSA-N 1 0 277.284 1.463 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CC[C@H](O)CC2)cc1 ZINC000819373245 695877444 /nfs/dbraw/zinc/87/74/44/695877444.db2.gz CZLDDVUWBAQRPZ-MRVWCRGKSA-N 1 0 280.324 1.521 20 5 CDBDRO O=[N+]([O-])c1c(F)nccc1NC[C@@H]1CCC[N@H+]1CCCO ZINC000882409953 695888652 /nfs/dbraw/zinc/88/86/52/695888652.db2.gz SQTWZIQDJIZWQP-JTQLQIEISA-N 1 0 298.318 1.388 20 5 CDBDRO C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000923288119 695892006 /nfs/dbraw/zinc/89/20/06/695892006.db2.gz HPXVLVYJPCXHOE-DDTOSNHZSA-N 1 0 279.340 1.297 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[S@@](C)=O ZINC000873054304 695916714 /nfs/dbraw/zinc/91/67/14/695916714.db2.gz URDCTPIYNVCCSX-GOSISDBHSA-N 1 0 270.354 1.680 20 5 CDBDRO CCc1cc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000819055776 696021346 /nfs/dbraw/zinc/02/13/46/696021346.db2.gz YTZZGHDQLBFNTE-AWEZNQCLSA-N 1 0 290.323 1.704 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700608931 696076023 /nfs/dbraw/zinc/07/60/23/696076023.db2.gz OZEKABBUWOVDCG-VIFPVBQESA-N 1 0 283.715 1.730 20 5 CDBDRO C[C@H]1COC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925642133 696083078 /nfs/dbraw/zinc/08/30/78/696083078.db2.gz QKSHXHVIHHRFIO-GWCFXTLKSA-N 1 0 250.298 1.762 20 5 CDBDRO CC(C)(C)C[N@H+](CCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581659 696089562 /nfs/dbraw/zinc/08/95/62/696089562.db2.gz GJOLQPJYKNYNRG-CQSZACIVSA-N 1 0 296.367 1.969 20 5 CDBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(N)=O ZINC000775198609 696108324 /nfs/dbraw/zinc/10/83/24/696108324.db2.gz AQHFITPEKDKRRU-ZCFIWIBFSA-N 1 0 257.677 1.212 20 5 CDBDRO CC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)O ZINC000843080268 696115505 /nfs/dbraw/zinc/11/55/05/696115505.db2.gz RQTGVDDNZWJRPX-XDTLVQLUSA-N 1 0 268.313 1.377 20 5 CDBDRO Cc1n[nH]cc1C[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000879188850 696121467 /nfs/dbraw/zinc/12/14/67/696121467.db2.gz QSARVRTZAMJTDN-CQSZACIVSA-N 1 0 290.323 1.792 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000089106085 696124352 /nfs/dbraw/zinc/12/43/52/696124352.db2.gz YLTIOQXEUXBADD-HTQZYQBOSA-N 1 0 281.341 1.843 20 5 CDBDRO CC(C)(CCC(=O)NCC[NH+]1CCCCCC1)[N+](=O)[O-] ZINC000822460288 696175885 /nfs/dbraw/zinc/17/58/85/696175885.db2.gz CXESATUKSUPPDE-UHFFFAOYSA-N 1 0 285.388 1.814 20 5 CDBDRO C[C@H]([NH2+]CC1(N(C)C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000841762843 696189167 /nfs/dbraw/zinc/18/91/67/696189167.db2.gz MLNLISHAPLWACH-JTQLQIEISA-N 1 0 278.356 1.922 20 5 CDBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000929964139 696197090 /nfs/dbraw/zinc/19/70/90/696197090.db2.gz BRSJDFJAPJCUFP-UPJWGTAASA-N 1 0 255.362 1.600 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817968305 696204619 /nfs/dbraw/zinc/20/46/19/696204619.db2.gz JFSAWPUFIFVYIP-CMPLNLGQSA-N 1 0 278.356 1.970 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]C(C)(C)CO)c([N+](=O)[O-])c1 ZINC001170291027 1162333788 /nfs/dbraw/zinc/33/37/88/1162333788.db2.gz GKEYPWJMXKMRQD-JTQLQIEISA-N 1 0 282.340 1.895 20 5 CDBDRO Cc1nc(Cl)nc(N2CC[C@](F)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001157808040 1162438892 /nfs/dbraw/zinc/43/88/92/1162438892.db2.gz CMAWOINRROWGOD-JTQLQIEISA-N 1 0 289.698 1.224 20 5 CDBDRO COC1CC[NH+](CCNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000804538367 1162485345 /nfs/dbraw/zinc/48/53/45/1162485345.db2.gz OMODQIJGUHXMAF-UHFFFAOYSA-N 1 0 294.355 1.700 20 5 CDBDRO C[NH+]1CC2(CN(c3cnc4cc([N+](=O)[O-])ccc4n3)C2)C1 ZINC001158864210 1163727915 /nfs/dbraw/zinc/72/79/15/1163727915.db2.gz MFHMZMIODXBYPE-UHFFFAOYSA-N 1 0 285.307 1.290 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCOC[C@H]1O ZINC000872139337 1165383894 /nfs/dbraw/zinc/38/38/94/1165383894.db2.gz BVPZYQMFIMWSGQ-MRCXROJRSA-N 1 0 298.314 1.404 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2COCCC23C[NH2+]C3)n1 ZINC001155470670 1167183709 /nfs/dbraw/zinc/18/37/09/1167183709.db2.gz VRUYUBDNALGWSP-NSHDSACASA-N 1 0 292.339 1.397 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001155582845 1167241171 /nfs/dbraw/zinc/24/11/71/1167241171.db2.gz BEEHDHOJEDBIFP-ICCXJUOJSA-N 1 0 299.334 1.948 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)c21 ZINC001155587682 1167246678 /nfs/dbraw/zinc/24/66/78/1167246678.db2.gz ANLALCURBDOVKM-VWYCJHECSA-N 1 0 299.334 1.948 20 5 CDBDRO COc1ccc(OC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001574034132 1170867761 /nfs/dbraw/zinc/86/77/61/1170867761.db2.gz YOAGRQRDCATNOR-OCAPTIKFSA-N 1 0 266.253 1.246 20 5 CDBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC001575509697 1171188574 /nfs/dbraw/zinc/18/85/74/1171188574.db2.gz AYYMTTMYJCGDAA-CYBMUJFWSA-N 1 0 295.314 1.804 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@@H]1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001578234217 1171843762 /nfs/dbraw/zinc/84/37/62/1171843762.db2.gz OQODVFOGFRJDEI-GDLCADMTSA-N 1 0 291.351 1.955 20 5 CDBDRO C[NH2+]CCCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC001578691120 1171983176 /nfs/dbraw/zinc/98/31/76/1171983176.db2.gz KILPTMCSPKXGJS-UHFFFAOYSA-N 1 0 257.265 1.248 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@H]([NH3+])C[C@H]1C ZINC001579180762 1172111581 /nfs/dbraw/zinc/11/15/81/1172111581.db2.gz QRFQURHHWWIHPW-MWLCHTKSSA-N 1 0 265.313 1.525 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC12C[NH2+]C2 ZINC001580778462 1172537069 /nfs/dbraw/zinc/53/70/69/1172537069.db2.gz NBEUEQHJBWWSHD-UHFFFAOYSA-N 1 0 296.714 1.828 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1N1CC2(C1)CC[NH2+]CC2 ZINC001580875928 1172558663 /nfs/dbraw/zinc/55/86/63/1172558663.db2.gz UYJMQFXQIJKGCL-UHFFFAOYSA-N 1 0 265.288 1.924 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC001593465804 1174079895 /nfs/dbraw/zinc/07/98/95/1174079895.db2.gz AJNKSGHMAFAUPM-GFCCVEGCSA-N 1 0 288.311 1.110 20 5 CDBDRO COc1cc(CO[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000164184847 1180626666 /nfs/dbraw/zinc/62/66/66/1180626666.db2.gz GXVADDCDVSJZIX-GFCCVEGCSA-N 1 0 266.297 1.872 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)c1csc([N+](=O)[O-])c1 ZINC000401236090 1186407537 /nfs/dbraw/zinc/40/75/37/1186407537.db2.gz RGVUMPOJFGTHGY-VGMNWLOBSA-N 1 0 283.353 1.867 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000089108571 724388509 /nfs/dbraw/zinc/38/85/09/724388509.db2.gz IATWQXQHSWWQDI-WCBMZHEXSA-N 1 0 251.290 1.314 20 5 CDBDRO Cc1nonc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000070261730 724429151 /nfs/dbraw/zinc/42/91/51/724429151.db2.gz XXSUKRMYDHVYEC-UHFFFAOYSA-N 1 0 262.269 1.619 20 5 CDBDRO C[NH2+]C[C@H](C)c1noc(-c2cc([N+](=O)[O-])cn2C)n1 ZINC000842577877 724431894 /nfs/dbraw/zinc/43/18/94/724431894.db2.gz XRVYOSICAMFVHG-ZETCQYMHSA-N 1 0 265.273 1.306 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccnc(F)c1[N+](=O)[O-] ZINC000882473773 723698141 /nfs/dbraw/zinc/69/81/41/723698141.db2.gz WAOPQNXSVLUCHL-SECBINFHSA-N 1 0 268.292 1.659 20 5 CDBDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000830102186 723692437 /nfs/dbraw/zinc/69/24/37/723692437.db2.gz GAVNQBMTSSDKHX-ZYHUDNBSSA-N 1 0 286.715 1.752 20 5 CDBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590451 723706001 /nfs/dbraw/zinc/70/60/01/723706001.db2.gz GMPYEERBSMKGLP-CQDKDKBSSA-N 1 0 294.351 1.864 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000818017668 723722185 /nfs/dbraw/zinc/72/21/85/723722185.db2.gz MQUFLJJFOGNIGH-OAHLLOKOSA-N 1 0 289.335 1.871 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000237191121 723726649 /nfs/dbraw/zinc/72/66/49/723726649.db2.gz MMGUSXYENYJNBE-SNVBAGLBSA-N 1 0 293.323 1.333 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000931278429 723733632 /nfs/dbraw/zinc/73/36/32/723733632.db2.gz CQGWCNGPDBQPHL-LJISPDSOSA-N 1 0 291.351 1.120 20 5 CDBDRO Nc1ccc(-c2noc(CCC[NH3+])n2)cc1[N+](=O)[O-] ZINC000843169805 723758520 /nfs/dbraw/zinc/75/85/20/723758520.db2.gz QWOXXDYEDPAVJG-UHFFFAOYSA-N 1 0 263.257 1.118 20 5 CDBDRO CO[C@H](C[NH3+])Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000232130554 723759519 /nfs/dbraw/zinc/75/95/19/723759519.db2.gz FUUDBUMQYXOTQT-JTQLQIEISA-N 1 0 278.268 1.161 20 5 CDBDRO C[C@H](C[NH3+])N(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843349983 723764967 /nfs/dbraw/zinc/76/49/67/723764967.db2.gz BKJDLDOWOIIRJT-SECBINFHSA-N 1 0 298.318 1.342 20 5 CDBDRO COC1([C@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])CCOCC1 ZINC000886252086 723810292 /nfs/dbraw/zinc/81/02/92/723810292.db2.gz SNXAQDHBLSUUJQ-NSHDSACASA-N 1 0 295.339 1.664 20 5 CDBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000791052042 723816683 /nfs/dbraw/zinc/81/66/83/723816683.db2.gz KGKBGNRTUGMSEK-ZIAGYGMSSA-N 1 0 269.389 1.850 20 5 CDBDRO O=C1OCCN1[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000852432564 723859872 /nfs/dbraw/zinc/85/98/72/723859872.db2.gz IGTSCSFVTCMOSE-GFCCVEGCSA-N 1 0 291.307 1.621 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@@H](CCCO)C2)cc1 ZINC000832781249 723870819 /nfs/dbraw/zinc/87/08/19/723870819.db2.gz AIMDAXALYIWMIM-DOMZBBRYSA-N 1 0 294.351 1.723 20 5 CDBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839536867 724104785 /nfs/dbraw/zinc/10/47/85/724104785.db2.gz RQVJAWQKXAMTLU-YNEHKIRRSA-N 1 0 283.372 1.422 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]([NH3+])C1 ZINC000261569528 724336124 /nfs/dbraw/zinc/33/61/24/724336124.db2.gz JXUPGAYPTWKLKL-VIFPVBQESA-N 1 0 253.306 1.047 20 5 CDBDRO [NH3+]C1(CNCc2cc(F)ccc2[N+](=O)[O-])CCC1 ZINC000843368041 724348633 /nfs/dbraw/zinc/34/86/33/724348633.db2.gz MBSHUIVFZSKQCD-UHFFFAOYSA-N 1 0 253.277 1.705 20 5 CDBDRO CC[NH+]1CCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000891394648 724456552 /nfs/dbraw/zinc/45/65/52/724456552.db2.gz XTLZPPMCJFXPPB-UHFFFAOYSA-N 1 0 280.284 1.645 20 5 CDBDRO CCN(CC)C(=O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818975850 724484392 /nfs/dbraw/zinc/48/43/92/724484392.db2.gz ZEIGKXCZVZAZFX-ZDUSSCGKSA-N 1 0 295.339 1.086 20 5 CDBDRO CC(C)(O)[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886314289 724525769 /nfs/dbraw/zinc/52/57/69/724525769.db2.gz RQQGIVLEOVYXMR-LBPRGKRZSA-N 1 0 279.340 1.973 20 5 CDBDRO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000815181151 725926925 /nfs/dbraw/zinc/92/69/25/725926925.db2.gz MFINTGNBQDLMCK-GXFFZTMASA-N 1 0 268.313 1.331 20 5 CDBDRO C[C@@]1([NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000704323244 724644049 /nfs/dbraw/zinc/64/40/49/724644049.db2.gz BITYNMWNTJZPLR-GFCCVEGCSA-N 1 0 283.715 1.812 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC([C@H](C)[NH3+])CC1 ZINC000110651312 724752307 /nfs/dbraw/zinc/75/23/07/724752307.db2.gz SRRKGYBCZBIVAG-JTQLQIEISA-N 1 0 264.329 1.862 20 5 CDBDRO C[C@@H]([NH3+])CC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000261881317 724753837 /nfs/dbraw/zinc/75/38/37/724753837.db2.gz RVORFALLNOWZMT-MRVPVSSYSA-N 1 0 285.731 1.944 20 5 CDBDRO CC(C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000036949037 724777800 /nfs/dbraw/zinc/77/78/00/724777800.db2.gz CKZYDQFAIZRKOF-NSHDSACASA-N 1 0 254.286 1.333 20 5 CDBDRO COC(=O)[C@H]1CCN(Cn2nc(C)c([N+](=O)[O-])c2C)[C@@H]1C ZINC000787242601 724787204 /nfs/dbraw/zinc/78/72/04/724787204.db2.gz IXLBDEJAVMVBJO-KOLCDFICSA-N 1 0 296.327 1.249 20 5 CDBDRO CC(=O)c1c(NCC[N@H+](C)CCO)cccc1[N+](=O)[O-] ZINC000884826212 724803770 /nfs/dbraw/zinc/80/37/70/724803770.db2.gz ORZYSHZXPUXVPK-UHFFFAOYSA-N 1 0 281.312 1.133 20 5 CDBDRO C[NH+](C)C[C@@H](O)CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000717416962 723752902 /nfs/dbraw/zinc/75/29/02/723752902.db2.gz TZSTZEXTNOPUMK-QMMMGPOBSA-N 1 0 275.255 1.207 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])n1cc([C@H](C)[NH3+])nn1 ZINC000881277721 723754752 /nfs/dbraw/zinc/75/47/52/723754752.db2.gz KCZMTHIDLMTKHP-DTWKUNHWSA-N 1 0 261.285 1.815 20 5 CDBDRO Cc1ccc(NC(=O)N(C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000859614153 723779894 /nfs/dbraw/zinc/77/98/94/723779894.db2.gz BDTMORBQGVFCFB-VIFPVBQESA-N 1 0 266.301 1.714 20 5 CDBDRO [NH3+][C@@H](Cc1nc(-c2ccc([N+](=O)[O-])s2)no1)C1CC1 ZINC000843218738 723788164 /nfs/dbraw/zinc/78/81/64/723788164.db2.gz FCFLMHSWLKNTIL-ZETCQYMHSA-N 1 0 280.309 1.986 20 5 CDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826063313 723839575 /nfs/dbraw/zinc/83/95/75/723839575.db2.gz JYGRLSPCUOYJDX-VXGBXAGGSA-N 1 0 285.388 1.621 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2cccnc2)c1 ZINC000818950513 723877304 /nfs/dbraw/zinc/87/73/04/723877304.db2.gz UFOSKCQPBJPZSL-OAHLLOKOSA-N 1 0 287.319 1.856 20 5 CDBDRO CN(CCC[NH+]1CCCC1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000831722806 724097819 /nfs/dbraw/zinc/09/78/19/724097819.db2.gz FTKICPRKVQLQPE-UHFFFAOYSA-N 1 0 285.388 1.766 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804454165 725046386 /nfs/dbraw/zinc/04/63/86/725046386.db2.gz MLEYIGDYQCYFCI-SNVBAGLBSA-N 1 0 294.311 1.891 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@H]4[NH2+]CC[C@H]43)nc2c1 ZINC000864599144 725056791 /nfs/dbraw/zinc/05/67/91/725056791.db2.gz JOSAJLMCZKBSEX-DGCLKSJQSA-N 1 0 287.323 1.802 20 5 CDBDRO C[C@]([NH3+])(C(=O)NCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000867953573 725072055 /nfs/dbraw/zinc/07/20/55/725072055.db2.gz ACPNROZKALHZNJ-SNVBAGLBSA-N 1 0 291.229 1.447 20 5 CDBDRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000724879995 725189171 /nfs/dbraw/zinc/18/91/71/725189171.db2.gz JYXQALGZPOZREU-DGCLKSJQSA-N 1 0 284.287 1.627 20 5 CDBDRO COC(=O)C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000886127921 725279967 /nfs/dbraw/zinc/27/99/67/725279967.db2.gz XKUFXELQVBIGKK-LLVKDONJSA-N 1 0 279.296 1.421 20 5 CDBDRO C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000042168298 725326100 /nfs/dbraw/zinc/32/61/00/725326100.db2.gz IZFGJJCCTOZAMD-CMPLNLGQSA-N 1 0 277.324 1.914 20 5 CDBDRO [NH3+][C@H]1C[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000715147710 725347134 /nfs/dbraw/zinc/34/71/34/725347134.db2.gz ZWXHTIRMLCLINN-GVJMRKKJSA-N 1 0 267.260 1.201 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2CC(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000854723747 725355892 /nfs/dbraw/zinc/35/58/92/725355892.db2.gz GVUWSSUULQUYGQ-UHFFFAOYSA-N 1 0 295.314 1.676 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000886081078 725373517 /nfs/dbraw/zinc/37/35/17/725373517.db2.gz IPJOHDQHWONLGC-DGCLKSJQSA-N 1 0 277.324 1.848 20 5 CDBDRO C[C@@H]([NH3+])CN(C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701068143 725375736 /nfs/dbraw/zinc/37/57/36/725375736.db2.gz NKFABJAUXYERFO-SSDOTTSWSA-N 1 0 271.704 1.667 20 5 CDBDRO COc1cc(-c2nc(CC[NH3+])no2)cc([N+](=O)[O-])c1C ZINC000843131668 725379220 /nfs/dbraw/zinc/37/92/20/725379220.db2.gz OQSPGWLKMKXYDS-UHFFFAOYSA-N 1 0 278.268 1.463 20 5 CDBDRO CCOCCOCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000922940703 725404557 /nfs/dbraw/zinc/40/45/57/725404557.db2.gz FZOIZWSBYJIUGN-UHFFFAOYSA-N 1 0 274.342 1.799 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@H]2C[C@@]2(CO)C1 ZINC000797520889 725416196 /nfs/dbraw/zinc/41/61/96/725416196.db2.gz OIABWKOQVBQGHX-RISCZKNCSA-N 1 0 278.308 1.418 20 5 CDBDRO C[C@@]12COC[C@H]1C[N@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC000886280527 725421059 /nfs/dbraw/zinc/42/10/59/725421059.db2.gz GIDLERJQBCFQJV-DGCLKSJQSA-N 1 0 263.297 1.458 20 5 CDBDRO COC[C@H](O)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815599297 725483815 /nfs/dbraw/zinc/48/38/15/725483815.db2.gz PWWYGXJAESHOCX-GXSJLCMTSA-N 1 0 283.328 1.225 20 5 CDBDRO COc1cccc(C(=O)N2CC[C@](C)([NH3+])C2)c1[N+](=O)[O-] ZINC000868080760 725546627 /nfs/dbraw/zinc/54/66/27/725546627.db2.gz YUHXZYMAZJNDTA-ZDUSSCGKSA-N 1 0 279.296 1.167 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000791054700 725572756 /nfs/dbraw/zinc/57/27/56/725572756.db2.gz PLAUGYWFPMCESJ-CQSZACIVSA-N 1 0 278.308 1.775 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1C[C@@H]1[NH3+])CC2 ZINC000818226040 725905692 /nfs/dbraw/zinc/90/56/92/725905692.db2.gz MCYKPRWTRRANOZ-ZJUUUORDSA-N 1 0 261.281 1.140 20 5 CDBDRO C[C@@H]([NH3+])CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000877101665 726005677 /nfs/dbraw/zinc/00/56/77/726005677.db2.gz OXCBHQWPWFCQRC-MRVPVSSYSA-N 1 0 285.731 1.596 20 5 CDBDRO C[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000832894000 726006908 /nfs/dbraw/zinc/00/69/08/726006908.db2.gz HCHKFZVXPJBOFJ-PHIMTYICSA-N 1 0 271.361 1.373 20 5 CDBDRO C[N@H+](CCOC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccccc1 ZINC000840675428 726008430 /nfs/dbraw/zinc/00/84/30/726008430.db2.gz YLQJMDHIQKCVIG-CHWSQXEVSA-N 1 0 278.308 1.327 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCO1 ZINC001173215645 912298244 /nfs/dbraw/zinc/29/82/44/912298244.db2.gz XQYITOQRFZRAHU-GWCFXTLKSA-N 1 0 250.298 1.904 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1COCCN1C ZINC001173232631 912325253 /nfs/dbraw/zinc/32/52/53/912325253.db2.gz FCVGBTQRICEJSM-SWLSCSKDSA-N 1 0 293.367 1.446 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1COC[C@H]1C ZINC000699805437 914291332 /nfs/dbraw/zinc/29/13/32/914291332.db2.gz KWXCZONBRPKAQD-SKDRFNHKSA-N 1 0 266.297 1.728 20 5 CDBDRO CCNC(=O)c1ccccc1O[C@H](C)C[N+](C)(C)C ZINC001225482887 902789815 /nfs/dbraw/zinc/78/98/15/902789815.db2.gz CVTPQJFNFUXJBF-GFCCVEGCSA-O 1 0 265.377 1.910 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](Oc2cccnc2[N+](=O)[O-])C1 ZINC001225629101 903402503 /nfs/dbraw/zinc/40/25/03/903402503.db2.gz DQVNOEUAOPMHOZ-SNVBAGLBSA-N 1 0 251.286 1.853 20 5 CDBDRO CC(C)[NH+]1CCC(Oc2ncncc2[N+](=O)[O-])CC1 ZINC001228654101 907535807 /nfs/dbraw/zinc/53/58/07/907535807.db2.gz HBKGDHSKQAOYHI-UHFFFAOYSA-N 1 0 266.301 1.636 20 5 CDBDRO CCOC(=O)c1cccc(CO[C@@H](C)C[N+](C)(C)C)n1 ZINC001223715984 908263568 /nfs/dbraw/zinc/26/35/68/908263568.db2.gz YVOLTDBFUUYXMX-LBPRGKRZSA-N 1 0 281.376 1.870 20 5 CDBDRO CCc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001126938869 909964706 /nfs/dbraw/zinc/96/47/06/909964706.db2.gz KIRMCFQBYUQNKU-ZIAGYGMSSA-N 1 0 291.351 1.120 20 5 CDBDRO CCC1(Nc2nc([N+](=O)[O-])ccc2OC)C[NH2+]C1 ZINC001168583354 919291766 /nfs/dbraw/zinc/29/17/66/919291766.db2.gz KNPZQYGBIWXWPH-UHFFFAOYSA-N 1 0 252.274 1.162 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@]1(C)CCC[N@@H+](C)C1 ZINC001162337520 922341451 /nfs/dbraw/zinc/34/14/51/922341451.db2.gz PXFHOHXNFNOXHF-ZDUSSCGKSA-N 1 0 280.328 1.433 20 5 CDBDRO CN(CC[NH+]1CCCC1)c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001165140307 924982921 /nfs/dbraw/zinc/98/29/21/924982921.db2.gz SUHKHPJBUHJKAR-UHFFFAOYSA-N 1 0 295.299 1.430 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](Nc2nc(Cl)ncc2[N+](=O)[O-])C1 ZINC001154978210 926268817 /nfs/dbraw/zinc/26/88/17/926268817.db2.gz QOQLKXNKMLMSDT-NKWVEPMBSA-N 1 0 271.708 1.720 20 5 CDBDRO [NH3+]CCN(c1cccnc1)c1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001168838462 927483781 /nfs/dbraw/zinc/48/37/81/927483781.db2.gz XQDMCCZOFGQRNJ-UHFFFAOYSA-N 1 0 298.306 1.963 20 5 CDBDRO [NH3+]CCc1cnn(-c2ccc3cc([N+](=O)[O-])ccc3n2)c1 ZINC001168947804 927553595 /nfs/dbraw/zinc/55/35/95/927553595.db2.gz FGCOODCUZMKISX-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CC23CCOCC3)C1 ZINC001168979212 927565130 /nfs/dbraw/zinc/56/51/30/927565130.db2.gz XENRHACDAXJERR-WOPDTQHZSA-N 1 0 254.330 1.591 20 5 CDBDRO Cc1nccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168978653 927565984 /nfs/dbraw/zinc/56/59/84/927565984.db2.gz UANCQUJVDFVHFY-GHMZBOCLSA-N 1 0 250.302 1.320 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CCN(CCF)CC2)C1 ZINC001168984622 927573339 /nfs/dbraw/zinc/57/33/39/927573339.db2.gz PDANKCLLGMBVDO-AAEUAGOBSA-N 1 0 273.352 1.455 20 5 CDBDRO O=C(CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)N1CCCCC1 ZINC001168965978 927588842 /nfs/dbraw/zinc/58/88/42/927588842.db2.gz FINAKSPZAUTEAF-OLZOCXBDSA-N 1 0 283.372 1.424 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C1 ZINC001168969100 927591991 /nfs/dbraw/zinc/59/19/91/927591991.db2.gz CBYVRGHYTJPDJD-RVMXOQNASA-N 1 0 256.346 1.573 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)C1 ZINC001168969098 927592573 /nfs/dbraw/zinc/59/25/73/927592573.db2.gz CBYVRGHYTJPDJD-LPWJVIDDSA-N 1 0 256.346 1.573 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H](CO)[C@@H](O)c2ccccc2)C1 ZINC001168972655 927596855 /nfs/dbraw/zinc/59/68/55/927596855.db2.gz APHTYGYUZSJSFX-MXAVVETBSA-N 1 0 294.351 1.116 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2(c3cnccn3)CC2)C1 ZINC001168992490 927601243 /nfs/dbraw/zinc/60/12/43/927601243.db2.gz KCKJXCJADTUZDX-NEPJUHHUSA-N 1 0 276.340 1.543 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(CC3CC3)C2)C1 ZINC001168996578 927602555 /nfs/dbraw/zinc/60/25/55/927602555.db2.gz WHYYEUHEHSRWQM-MCIONIFRSA-N 1 0 267.373 1.506 20 5 CDBDRO CC(C)[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)(C)CN ZINC001169006437 927611439 /nfs/dbraw/zinc/61/14/39/927611439.db2.gz IFSSVUNJVVYSET-NWDGAFQWSA-N 1 0 257.378 1.880 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](N3CCCC3)C2)C1 ZINC001169028922 927635340 /nfs/dbraw/zinc/63/53/40/927635340.db2.gz SUTRDHLPEDMSMH-RDBSUJKOSA-N 1 0 267.373 1.602 20 5 CDBDRO CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCN(C)CC1 ZINC001169029090 927636065 /nfs/dbraw/zinc/63/60/65/927636065.db2.gz UGTUMJIHCIWKSY-GXTWGEPZSA-N 1 0 269.389 1.848 20 5 CDBDRO CC(C)[C@@H]1COCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169033289 927640888 /nfs/dbraw/zinc/64/08/88/927640888.db2.gz BSDNSWHOFIBNET-AGIUHOORSA-N 1 0 256.346 1.789 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](CCO)C2)C1 ZINC001169034983 927641839 /nfs/dbraw/zinc/64/18/39/927641839.db2.gz JLZVXPFOTAZVDK-XQQFMLRXSA-N 1 0 256.346 1.526 20 5 CDBDRO COC(=O)CC[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169037526 927646795 /nfs/dbraw/zinc/64/67/95/927646795.db2.gz SBJLCBZMCRIBQN-JHJVBQTASA-N 1 0 284.356 1.707 20 5 CDBDRO COC(=O)C[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169038649 927651078 /nfs/dbraw/zinc/65/10/78/927651078.db2.gz JVIIVSBMIQUAJI-AVGNSLFASA-N 1 0 284.356 1.707 20 5 CDBDRO C[N@@H+]1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C2(CCCC2)C1 ZINC001169051310 927669537 /nfs/dbraw/zinc/66/95/37/927669537.db2.gz CYECTABGMAQDKJ-ZIAGYGMSSA-N 1 0 281.400 1.992 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H](N2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C1 ZINC001169057496 927675708 /nfs/dbraw/zinc/67/57/08/927675708.db2.gz WATRSLXHYZEEAL-LJISPDSOSA-N 1 0 299.390 1.940 20 5 CDBDRO COc1ccnc(-n2ccc([C@H](C)[NH3+])n2)c1[N+](=O)[O-] ZINC001169228285 927830500 /nfs/dbraw/zinc/83/05/00/927830500.db2.gz OEYKHELTMGVZRX-ZETCQYMHSA-N 1 0 263.257 1.204 20 5 CDBDRO C[C@H]([NH3+])c1ccn(-c2nc(Cl)ccc2[N+](=O)[O-])n1 ZINC001169232222 927840133 /nfs/dbraw/zinc/84/01/33/927840133.db2.gz BADGIVVEJDJBIJ-LURJTMIESA-N 1 0 267.676 1.849 20 5 CDBDRO [NH3+]Cc1ccn(-c2ccc3nc[nH]c3c2[N+](=O)[O-])c1 ZINC001169726128 928347192 /nfs/dbraw/zinc/34/71/92/928347192.db2.gz SMCAGVADYUHOQA-UHFFFAOYSA-N 1 0 257.253 1.721 20 5 CDBDRO CN(c1ccc2nsnc2c1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC001170059698 929243174 /nfs/dbraw/zinc/24/31/74/929243174.db2.gz SHMYWPKKENVWNA-UHFFFAOYSA-N 1 0 281.341 1.773 20 5 CDBDRO C[NH+]1CCN(C(C)(C)CNc2ncccc2[N+](=O)[O-])CC1 ZINC001115827827 937422254 /nfs/dbraw/zinc/42/22/54/937422254.db2.gz KVXBQHXUUCDHGG-UHFFFAOYSA-N 1 0 293.371 1.428 20 5 CDBDRO C[C@@H]([NH3+])CCNc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001159774892 930831291 /nfs/dbraw/zinc/83/12/91/930831291.db2.gz YHIVDNNQIZGNAI-MRVPVSSYSA-N 1 0 261.285 1.687 20 5 CDBDRO CC(C)C[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC001118183605 937599531 /nfs/dbraw/zinc/59/95/31/937599531.db2.gz LLGRGBRIBIEZEE-UHFFFAOYSA-N 1 0 266.257 1.983 20 5 CDBDRO CCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147506260 932525370 /nfs/dbraw/zinc/52/53/70/932525370.db2.gz FEYPCYPOZPTHCB-CHWSQXEVSA-N 1 0 295.383 1.376 20 5 CDBDRO COc1ccnc(-n2cc3ccc(C[NH3+])cc3n2)c1[N+](=O)[O-] ZINC001171316124 932628169 /nfs/dbraw/zinc/62/81/69/932628169.db2.gz YNJTZMSRLIQCHU-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCOC[C@H]2C[NH+](C)C)n1 ZINC001154978536 937615503 /nfs/dbraw/zinc/61/55/03/937615503.db2.gz SMYLSMOZCSNPKH-GFCCVEGCSA-N 1 0 294.355 1.373 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001155188572 937647160 /nfs/dbraw/zinc/64/71/60/937647160.db2.gz OIRVZASDYUKLPA-NPNFKUNOSA-N 1 0 291.355 1.684 20 5 CDBDRO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@H+](CC[N+](=O)[O-])[C@H]1C ZINC000934166730 933905458 /nfs/dbraw/zinc/90/54/58/933905458.db2.gz XKSRKBHFJOOLOE-WISYIIOYSA-N 1 0 272.345 1.561 20 5 CDBDRO C[NH+](C)C[C@@]12C[C@@H]1CN(c1cccc([N+](=O)[O-])n1)C2 ZINC001156375475 938359708 /nfs/dbraw/zinc/35/97/08/938359708.db2.gz DEGPHNWFLYELJL-ZWNOBZJWSA-N 1 0 262.313 1.378 20 5 CDBDRO C[C@@H]1CN(c2nccc(Cl)c2[N+](=O)[O-])CC[NH2+]1 ZINC001156689338 938406063 /nfs/dbraw/zinc/40/60/63/938406063.db2.gz XDJFLTHBPGGZIC-SSDOTTSWSA-N 1 0 256.693 1.441 20 5 CDBDRO CC(C)[N@H+](C)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2N)C1 ZINC001157021634 938446745 /nfs/dbraw/zinc/44/67/45/938446745.db2.gz PRBOOEDXIIBJCN-SNVBAGLBSA-N 1 0 279.344 1.491 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH3+])[C@@H]2C)n1 ZINC001157746914 938539725 /nfs/dbraw/zinc/53/97/25/938539725.db2.gz OJMHDNMKEGDNRN-IUCAKERBSA-N 1 0 294.311 1.092 20 5 CDBDRO CC/C=C\CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767659 938542788 /nfs/dbraw/zinc/54/27/88/938542788.db2.gz RENAIYDRAUQIBC-OPVGQWETSA-N 1 0 269.345 1.104 20 5 CDBDRO CCC1(Nc2cc(Cl)ncc2[N+](=O)[O-])C[NH2+]C1 ZINC001157778946 938543626 /nfs/dbraw/zinc/54/36/26/938543626.db2.gz BVCPXVOLANSVLV-UHFFFAOYSA-N 1 0 256.693 1.807 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001157796551 938547330 /nfs/dbraw/zinc/54/73/30/938547330.db2.gz DDTBSQWNANCEBP-AAEUAGOBSA-N 1 0 294.355 1.821 20 5 CDBDRO [NH3+][C@H]1CCc2nn(-c3cc([N+](=O)[O-])c4cc[nH]c4n3)cc2C1 ZINC001157985290 938571973 /nfs/dbraw/zinc/57/19/73/938571973.db2.gz QWEMGCQEQOZXJG-VIFPVBQESA-N 1 0 298.306 1.473 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2CCC[C@](C)(C[NH3+])C2)n1 ZINC001158676268 938649328 /nfs/dbraw/zinc/64/93/28/938649328.db2.gz ZONUCCRJIIWSMA-GFCCVEGCSA-N 1 0 265.317 1.258 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(NC(C)(C)CC[NH+](C)C)n1 ZINC001158756923 938659749 /nfs/dbraw/zinc/65/97/49/938659749.db2.gz GWPHGQYJIXNSPX-UHFFFAOYSA-N 1 0 267.333 1.835 20 5 CDBDRO Nc1cc(NCC23CC[NH+](CC2)CC3)ncc1[N+](=O)[O-] ZINC001158826472 938666808 /nfs/dbraw/zinc/66/68/08/938666808.db2.gz BRFYFNOCLHHFCT-UHFFFAOYSA-N 1 0 277.328 1.470 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC4(C3)CCC[NH2+]C4)nc21 ZINC001159025689 938692470 /nfs/dbraw/zinc/69/24/70/938692470.db2.gz WEZGPVWZVLWRCO-UHFFFAOYSA-N 1 0 287.323 1.661 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@H](C[NH3+])C(C)(C)C ZINC001160914589 938843362 /nfs/dbraw/zinc/84/33/62/938843362.db2.gz REKSXGMRGYVPNZ-JTQLQIEISA-N 1 0 268.317 1.322 20 5 CDBDRO [NH3+]CCc1cccc(Nc2cc([N+](=O)[O-])cc[n+]2[O-])c1 ZINC001161079224 938869038 /nfs/dbraw/zinc/86/90/38/938869038.db2.gz ZGMRGEFRQZIVEM-UHFFFAOYSA-N 1 0 274.280 1.473 20 5 CDBDRO COc1cnc(N[C@@]2(C)CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001162340546 939029823 /nfs/dbraw/zinc/02/98/23/939029823.db2.gz DRVAXQCLRGJICD-ZDUSSCGKSA-N 1 0 280.328 1.895 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cc(N[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC001162390866 939042064 /nfs/dbraw/zinc/04/20/64/939042064.db2.gz JEXMSTJQDONJLL-IUCAKERBSA-N 1 0 294.311 1.458 20 5 CDBDRO COc1ncc([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC001162392676 939042888 /nfs/dbraw/zinc/04/28/88/939042888.db2.gz RKHNBXXESLTMFV-HTQZYQBOSA-N 1 0 267.289 1.075 20 5 CDBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC001162456685 939059060 /nfs/dbraw/zinc/05/90/60/939059060.db2.gz YMNMERCSRUUNCJ-NXEZZACHSA-N 1 0 265.317 1.432 20 5 CDBDRO COc1cnc(NC[C@H]2C[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC001162552717 939085829 /nfs/dbraw/zinc/08/58/29/939085829.db2.gz PGKWZKFKSQXUTN-RKDXNWHRSA-N 1 0 266.301 1.408 20 5 CDBDRO Nc1ccnc(NC[C@]2(F)CCCC[NH2+]C2)c1[N+](=O)[O-] ZINC001162579781 939092392 /nfs/dbraw/zinc/09/23/92/939092392.db2.gz JCONVNRTRYGMIH-LBPRGKRZSA-N 1 0 283.307 1.466 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001162582883 939094368 /nfs/dbraw/zinc/09/43/68/939094368.db2.gz GJZQSTBCANRBKN-CYBMUJFWSA-N 1 0 298.318 1.892 20 5 CDBDRO [NH3+]Cc1ccnn1-c1ccc([N+](=O)[O-])c2cnccc21 ZINC001162594070 939099364 /nfs/dbraw/zinc/09/93/64/939099364.db2.gz YZAYEBOFBPOTLU-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO Cc1c(C)c([N+](=O)[O-])cnc1N[C@@H]1C=C[C@H]2C[NH2+]C[C@H]21 ZINC001162792161 939141078 /nfs/dbraw/zinc/14/10/78/939141078.db2.gz FRQFLCBFQYPWHG-QJPTWQEYSA-N 1 0 274.324 1.793 20 5 CDBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2nn(C)cc2[N+](=O)[O-])C1 ZINC001162818955 939149619 /nfs/dbraw/zinc/14/96/19/939149619.db2.gz MXISFHMFUMOCTP-NSHDSACASA-N 1 0 281.360 1.718 20 5 CDBDRO Cc1cccc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c1[N+](=O)[O-] ZINC001163100976 939200701 /nfs/dbraw/zinc/20/07/01/939200701.db2.gz BWJXMBIKIDQFAG-NQBHXWOUSA-N 1 0 277.324 1.550 20 5 CDBDRO O=[N+]([O-])c1ccnc(Cl)c1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001163102584 939200704 /nfs/dbraw/zinc/20/07/04/939200704.db2.gz VLADVBVAWCOVBS-NQMVMOMDSA-N 1 0 298.730 1.290 20 5 CDBDRO CC(C)N(c1cc([N+](=O)[O-])ccn1)C(C)(C)C[NH3+] ZINC001163187361 939221318 /nfs/dbraw/zinc/22/13/18/939221318.db2.gz VWHOPEIKYRRNCU-UHFFFAOYSA-N 1 0 252.318 1.942 20 5 CDBDRO COc1cnc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC001163262186 939235114 /nfs/dbraw/zinc/23/51/14/939235114.db2.gz XRJMVVABPQTHEQ-UTLUCORTSA-N 1 0 278.312 1.408 20 5 CDBDRO C[NH2+]CCN(C)c1nc(Cl)cc(C)c1[N+](=O)[O-] ZINC001163719253 939314345 /nfs/dbraw/zinc/31/43/45/939314345.db2.gz UKVBTTHAQZICLK-UHFFFAOYSA-N 1 0 258.709 1.607 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1cccc2ncc([N+](=O)[O-])n21 ZINC001163786795 939331850 /nfs/dbraw/zinc/33/18/50/939331850.db2.gz ULOQXWFMHIYIJR-SECBINFHSA-N 1 0 263.301 1.605 20 5 CDBDRO COc1nc(N2C[C@@H](C[NH3+])CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC001164461213 939475700 /nfs/dbraw/zinc/47/57/00/939475700.db2.gz HQSRCFRHXLIWHA-VHSXEESVSA-N 1 0 280.328 1.562 20 5 CDBDRO COc1cc(N2C[C@@H](C[NH3+])CC[C@H]2C)ncc1[N+](=O)[O-] ZINC001164462867 939475944 /nfs/dbraw/zinc/47/59/44/939475944.db2.gz VIPYASCRQFFNDN-NXEZZACHSA-N 1 0 280.328 1.562 20 5 CDBDRO C[NH+]1C[C@H]2CN(c3ncc(F)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC001165152016 939519698 /nfs/dbraw/zinc/51/96/98/939519698.db2.gz WJQJDQMAGUDASM-IUCAKERBSA-N 1 0 266.276 1.127 20 5 CDBDRO COc1cc(C)nc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)c1[N+](=O)[O-] ZINC001165152565 939520196 /nfs/dbraw/zinc/52/01/96/939520196.db2.gz YPQYXZHEOHCKPC-QWRGUYRKSA-N 1 0 292.339 1.305 20 5 CDBDRO Cc1nc2c(n1-c1ncc([N+](=O)[O-])cc1C)CC[NH2+]CC2 ZINC001165351293 939549886 /nfs/dbraw/zinc/54/98/86/939549886.db2.gz BBKDHCVHDYQECH-UHFFFAOYSA-N 1 0 287.323 1.481 20 5 CDBDRO [NH3+][C@H]1[C@H]2CN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@@H]12 ZINC001165383467 939553719 /nfs/dbraw/zinc/55/37/19/939553719.db2.gz ZEVVXXGZVLBEQN-UAJQPJLXSA-N 1 0 289.122 1.690 20 5 CDBDRO [NH3+]CCc1nccn1-c1nccc2c1cccc2[N+](=O)[O-] ZINC001166277253 939602406 /nfs/dbraw/zinc/60/24/06/939602406.db2.gz PKWFAWIHUGYWTI-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCC(=O)c1ccccc1O ZINC001210592053 940700509 /nfs/dbraw/zinc/70/05/09/940700509.db2.gz PBXIHRJWBKEYGR-LLVKDONJSA-O 1 0 252.334 1.686 20 5 CDBDRO [NH3+][C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C12CCC2 ZINC000404622425 940966467 /nfs/dbraw/zinc/96/64/67/940966467.db2.gz ATCXLNFXCDVGPG-BDAKNGLRSA-N 1 0 281.337 1.656 20 5 CDBDRO CCOC(=O)c1ccc(O[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218281594 941050531 /nfs/dbraw/zinc/05/05/31/941050531.db2.gz JBNMONGGXUJMKW-NSHDSACASA-N 1 0 294.307 1.902 20 5 CDBDRO COc1cc(O[C@@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001218281314 941050617 /nfs/dbraw/zinc/05/06/17/941050617.db2.gz DPAWORXFNWJOHX-MRVPVSSYSA-N 1 0 253.258 1.129 20 5 CDBDRO O=[N+]([O-])c1cc2c[nH]nc2cc1O[C@@H]1CCC[NH2+]C1 ZINC001218286955 941052563 /nfs/dbraw/zinc/05/25/63/941052563.db2.gz WLOVCAJDNACXBO-SECBINFHSA-N 1 0 262.269 1.602 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ccc2ocnc2c1 ZINC001223818013 941701148 /nfs/dbraw/zinc/70/11/48/941701148.db2.gz YEZCSEVKRBJLCU-GFCCVEGCSA-N 1 0 293.343 1.328 20 5 CDBDRO COc1cc(CO[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC001223905082 941706039 /nfs/dbraw/zinc/70/60/39/941706039.db2.gz BLPSNQMTGWPYOP-NSHDSACASA-N 1 0 296.323 1.833 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C)OC[C@H]1CCCC[N@@H+]1C ZINC001224702562 941784459 /nfs/dbraw/zinc/78/44/59/941784459.db2.gz NLOVCUCUCQFITQ-WCQYABFASA-N 1 0 296.371 1.989 20 5 CDBDRO [NH2+]=C(Cc1ccc(O[C@@H](C[N+](=O)[O-])C2CC2)cc1)NO ZINC001225545746 941878236 /nfs/dbraw/zinc/87/82/36/941878236.db2.gz HGMBZQSMFQNTRR-LBPRGKRZSA-N 1 0 279.296 1.619 20 5 CDBDRO Cc1cc(O[C@H]2CCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC001225660065 941895047 /nfs/dbraw/zinc/89/50/47/941895047.db2.gz BBUJRNWFRIZPNL-JTQLQIEISA-N 1 0 251.286 1.771 20 5 CDBDRO Cc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cnc1Cl ZINC001225826113 941918083 /nfs/dbraw/zinc/91/80/83/941918083.db2.gz XMZKTFVBZQRZLE-SNVBAGLBSA-N 1 0 287.767 1.406 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ncc(F)cc1[N+](=O)[O-] ZINC001226751153 942062256 /nfs/dbraw/zinc/06/22/56/942062256.db2.gz FMAOIXPTNXOWKQ-MRVPVSSYSA-N 1 0 258.273 1.602 20 5 CDBDRO COC(=O)c1cc(Cl)nnc1O[C@@H](C)C[N+](C)(C)C ZINC001227728333 942213924 /nfs/dbraw/zinc/21/39/24/942213924.db2.gz YTMANWUTVRWUPQ-QMMMGPOBSA-N 1 0 288.755 1.390 20 5 CDBDRO Cc1cc(C)c(OC[C@@H]2CN(C)CCO2)c([N+](=O)[O-])c1 ZINC001228238520 942283330 /nfs/dbraw/zinc/28/33/30/942283330.db2.gz WDPAENCGCDKJHT-LBPRGKRZSA-N 1 0 280.324 1.921 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc2cc[nH]c2cc1F ZINC001228888621 942389162 /nfs/dbraw/zinc/38/91/62/942389162.db2.gz PCHXJYCBBCHTJP-LLVKDONJSA-N 1 0 295.334 1.670 20 5 CDBDRO COc1cnc(SC)nc1O[C@@H](C)C[N+](C)(C)C ZINC001230032964 942575997 /nfs/dbraw/zinc/57/59/97/942575997.db2.gz UTVVZBZDFSNIKX-VIFPVBQESA-N 1 0 272.394 1.681 20 5 CDBDRO Nc1[nH]c2ccc(O[C@@H](C[N+](=O)[O-])c3cccnc3)cc2[nH+]1 ZINC001230516784 942629590 /nfs/dbraw/zinc/62/95/90/942629590.db2.gz UMKSZLGDWFGIBZ-ZDUSSCGKSA-N 1 0 299.290 1.937 20 5 CDBDRO CCC(=O)NCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001230960516 942743169 /nfs/dbraw/zinc/74/31/69/942743169.db2.gz MGQVDDWVIIERRV-UHFFFAOYSA-N 1 0 279.340 1.943 20 5 CDBDRO Cc1cccc2nc(OC(=O)C[C@@H](O)C[N+](C)(C)C)oc21 ZINC001231163911 942805087 /nfs/dbraw/zinc/80/50/87/942805087.db2.gz LMNSURGRSRUTBK-LLVKDONJSA-N 1 0 293.343 1.499 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2cccc([N+](=O)[O-])c2[N+](=O)[O-])C1 ZINC001233576232 943620468 /nfs/dbraw/zinc/62/04/68/943620468.db2.gz WFDJFMIBGLOAPD-SECBINFHSA-N 1 0 281.268 1.976 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2c(cccc2F)[nH]1 ZINC001233929942 943693736 /nfs/dbraw/zinc/69/37/36/943693736.db2.gz KQSRBWSGMGUNGP-SECBINFHSA-N 1 0 296.322 1.065 20 5 CDBDRO C[NH2+][C@H](C)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC001261370558 946081019 /nfs/dbraw/zinc/08/10/19/946081019.db2.gz NDXRACMHUNHCNJ-LLVKDONJSA-N 1 0 251.330 1.991 20 5 CDBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(N)=O ZINC001254533860 947513060 /nfs/dbraw/zinc/51/30/60/947513060.db2.gz POZRNYZMRVPANF-ONGXEEELSA-N 1 0 265.313 1.379 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C)C1=O ZINC001254536792 947516162 /nfs/dbraw/zinc/51/61/62/947516162.db2.gz TVAWREZDNVEODA-ZYHUDNBSSA-N 1 0 277.324 1.346 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ncccc1O)C2 ZINC001254577158 947534474 /nfs/dbraw/zinc/53/44/74/947534474.db2.gz BZMZZMXQAPMIPT-GFCCVEGCSA-N 1 0 285.303 1.952 20 5 CDBDRO COCCOCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254576336 947535057 /nfs/dbraw/zinc/53/50/57/947535057.db2.gz VORZGKFKAQPUAH-CYBMUJFWSA-N 1 0 280.324 1.315 20 5 CDBDRO O=C(C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254577920 947535932 /nfs/dbraw/zinc/53/59/32/947535932.db2.gz HVKJJFJZNAVWRJ-CQSZACIVSA-N 1 0 297.314 1.930 20 5 CDBDRO [NH3+][C@@H]1CCc2nn([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)cc2C1 ZINC001254576129 947536102 /nfs/dbraw/zinc/53/61/02/947536102.db2.gz UTMGJOWWYIGELK-UKRRQHHQSA-N 1 0 298.346 1.947 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1[C@@H]3COC[C@@H]31)C2 ZINC001254579417 947537260 /nfs/dbraw/zinc/53/72/60/947537260.db2.gz RURIBHFBKVKRQS-SCUASFONSA-N 1 0 260.293 1.296 20 5 CDBDRO [NH3+]Cc1ccn([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254584431 947539465 /nfs/dbraw/zinc/53/94/65/947539465.db2.gz SFHDRHJNPCIFBR-CYBMUJFWSA-N 1 0 258.281 1.590 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@H](O)C1)C2 ZINC001254600246 947549801 /nfs/dbraw/zinc/54/98/01/947549801.db2.gz RFYPLHNGOUHZTC-ZIAGYGMSSA-N 1 0 262.309 1.519 20 5 CDBDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600913 947550595 /nfs/dbraw/zinc/55/05/95/947550595.db2.gz WQSDKNJZYQOYIU-WKPIXPDZSA-N 1 0 276.336 1.907 20 5 CDBDRO [NH3+][C@]12C[C@H]1CN([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001246865910 948491835 /nfs/dbraw/zinc/49/18/35/948491835.db2.gz DESZRUCZPSPAIJ-UBHSHLNASA-N 1 0 259.309 1.095 20 5 CDBDRO C[C@H]([NH3+])CN(C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001246980645 948559903 /nfs/dbraw/zinc/55/99/03/948559903.db2.gz JZHWSHDHPGJRGC-LBPRGKRZSA-N 1 0 292.383 1.843 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[C@H]3C[C@H]3[NH2+]2)n1 ZINC001247620492 948684417 /nfs/dbraw/zinc/68/44/17/948684417.db2.gz AHIAFUUFMWZGRL-NJUXHZRNSA-N 1 0 291.242 1.602 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCC[NH3+] ZINC001327512788 954914275 /nfs/dbraw/zinc/91/42/75/954914275.db2.gz RPDISNUSIKUIAW-UHFFFAOYSA-N 1 0 266.301 1.057 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001327614872 954961393 /nfs/dbraw/zinc/96/13/93/954961393.db2.gz AHBWYBZRVPLHRX-SNVBAGLBSA-N 1 0 262.313 1.369 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC001327856294 955081419 /nfs/dbraw/zinc/08/14/19/955081419.db2.gz QFEKJMQHAOAACT-UHFFFAOYSA-N 1 0 292.339 1.461 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NCC[N@@H+](C)C1CC1 ZINC001328517281 955321687 /nfs/dbraw/zinc/32/16/87/955321687.db2.gz WRYGSSLONGFPLZ-UHFFFAOYSA-N 1 0 250.302 1.226 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCCCCCC[NH3+] ZINC001328523492 955325873 /nfs/dbraw/zinc/32/58/73/955325873.db2.gz DSACZGTUSOLVLR-UHFFFAOYSA-N 1 0 294.355 1.885 20 5 CDBDRO C[NH2+][C@H](C)CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001328677362 955411470 /nfs/dbraw/zinc/41/14/70/955411470.db2.gz LIIQDODPAYIGOG-SNVBAGLBSA-N 1 0 295.339 1.454 20 5 CDBDRO Cc1ccc(CNC(=O)C[NH2+]CC(C)C)cc1[N+](=O)[O-] ZINC001335684115 959972573 /nfs/dbraw/zinc/97/25/73/959972573.db2.gz ONNNQJQWCDWTKA-UHFFFAOYSA-N 1 0 279.340 1.765 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001342942310 963867003 /nfs/dbraw/zinc/86/70/03/963867003.db2.gz CTFPMSLPUVVEOC-CMPLNLGQSA-N 1 0 279.340 1.813 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H]1CCC[NH2+]C1)C2 ZINC001347096782 965369311 /nfs/dbraw/zinc/36/93/11/965369311.db2.gz CVAXOYDDRQEGOH-LLVKDONJSA-N 1 0 261.325 1.910 20 5 CDBDRO O=[N+]([O-])CC[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC001357128266 969536662 /nfs/dbraw/zinc/53/66/62/969536662.db2.gz YVNXERSPHJPWJS-UHFFFAOYSA-N 1 0 264.203 1.952 20 5 CDBDRO C[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001358144251 969701400 /nfs/dbraw/zinc/70/14/00/969701400.db2.gz ZWEPHQWLDZINGI-KWBADKCTSA-N 1 0 277.324 1.770 20 5 CDBDRO CCN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@@H]1CC[NH2+]C1 ZINC001577643422 1171709106 /nfs/dbraw/zinc/70/91/06/1171709106.db2.gz CCPXPUXYZUOWRP-MRVPVSSYSA-N 1 0 299.277 1.697 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC001578361257 1171884884 /nfs/dbraw/zinc/88/48/84/1171884884.db2.gz HKBLMZIDLINFBC-NXEZZACHSA-N 1 0 297.359 1.645 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3cccnc3[N+](=O)[O-])C[C@@H]2C1 ZINC000601183693 342489178 /nfs/dbraw/zinc/48/91/78/342489178.db2.gz CIZAJQLMMIKUQZ-MNOVXSKESA-N 1 0 262.313 1.378 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@@H](CO)C2)c(F)c1 ZINC000601140322 342479732 /nfs/dbraw/zinc/47/97/32/342479732.db2.gz UEDBVEBXLZBQIZ-WAAGHKOSSA-N 1 0 254.261 1.594 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H]1CCCNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000591243901 342622564 /nfs/dbraw/zinc/62/25/64/342622564.db2.gz OOSOGZUBKNXKIX-PWSUYJOCSA-N 1 0 277.324 1.772 20 5 CDBDRO COCC[NH+](CCOC)CCOc1cccc([N+](=O)[O-])c1 ZINC000046054080 342127636 /nfs/dbraw/zinc/12/76/36/342127636.db2.gz HMLAOSUDKZSQTN-UHFFFAOYSA-N 1 0 298.339 1.568 20 5 CDBDRO CC[NH2+]CCCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000591358533 342627924 /nfs/dbraw/zinc/62/79/24/342627924.db2.gz CNMGPDORMXFFQA-UHFFFAOYSA-N 1 0 294.355 1.736 20 5 CDBDRO C[C@@H]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@H]1C[NH3+] ZINC000591446296 342632692 /nfs/dbraw/zinc/63/26/92/342632692.db2.gz HUPQLTREEMXXKB-GHMZBOCLSA-N 1 0 290.367 1.984 20 5 CDBDRO COc1ccc(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000591448699 342633042 /nfs/dbraw/zinc/63/30/42/342633042.db2.gz OMQZLESXIWRGMZ-QWHCGFSZSA-N 1 0 291.351 1.787 20 5 CDBDRO Cc1ccc(CN2CCO[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000592428752 342694937 /nfs/dbraw/zinc/69/49/37/342694937.db2.gz UCVYTQPRYBEAHL-FZMZJTMJSA-N 1 0 279.340 1.451 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000593027079 342759754 /nfs/dbraw/zinc/75/97/54/342759754.db2.gz KQNIHHQIARADKM-CYBMUJFWSA-N 1 0 293.371 1.522 20 5 CDBDRO COc1cc(C[N@H+](C)[C@H](C)CCO)c([N+](=O)[O-])cc1OC ZINC000593695203 342824130 /nfs/dbraw/zinc/82/41/30/342824130.db2.gz YNPGHTFCEQPLKT-SNVBAGLBSA-N 1 0 298.339 1.815 20 5 CDBDRO CN(CC[NH+]1CCCCC1)c1ncc([N+](=O)[O-])s1 ZINC000593516196 342805662 /nfs/dbraw/zinc/80/56/62/342805662.db2.gz NLYPIDUTLMIGBB-UHFFFAOYSA-N 1 0 270.358 1.973 20 5 CDBDRO C[C@@H](O)CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000594065455 342870293 /nfs/dbraw/zinc/87/02/93/342870293.db2.gz PQTZPKRIOJTQMM-SECBINFHSA-N 1 0 293.323 1.039 20 5 CDBDRO C[NH2+]C1(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)CCC1 ZINC000600822810 342251333 /nfs/dbraw/zinc/25/13/33/342251333.db2.gz AWPHVIIZBWGSGZ-UHFFFAOYSA-N 1 0 291.351 1.704 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000092956601 342270481 /nfs/dbraw/zinc/27/04/81/342270481.db2.gz QOVASLVQOBGQMH-BXKDBHETSA-N 1 0 263.297 1.209 20 5 CDBDRO CC(C)[C@@H]([NH3+])c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594651756 342933372 /nfs/dbraw/zinc/93/33/72/342933372.db2.gz GSWVUHXTZJJEFF-GFCCVEGCSA-N 1 0 277.284 1.537 20 5 CDBDRO C[NH+](C)C1(CNc2ccc(N)c([N+](=O)[O-])n2)CCC1 ZINC000311493111 342274287 /nfs/dbraw/zinc/27/42/87/342274287.db2.gz CNDBEXVJNZKMQM-UHFFFAOYSA-N 1 0 265.317 1.468 20 5 CDBDRO Cc1c(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000127797428 342285323 /nfs/dbraw/zinc/28/53/23/342285323.db2.gz CXJSXVDIRVBSIL-GWCFXTLKSA-N 1 0 293.323 1.091 20 5 CDBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1(CO)CC1 ZINC000594970356 342991722 /nfs/dbraw/zinc/99/17/22/342991722.db2.gz ZBUFULIKKAWECF-VIFPVBQESA-N 1 0 268.288 1.985 20 5 CDBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C(C)(C)CO ZINC000595322624 343035873 /nfs/dbraw/zinc/03/58/73/343035873.db2.gz TUAZBOYBMGZFTB-UHFFFAOYSA-N 1 0 256.277 1.937 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(Cc2onc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000595405557 343050071 /nfs/dbraw/zinc/05/00/71/343050071.db2.gz YCIJUFCELBXYML-VHSXEESVSA-N 1 0 282.344 1.806 20 5 CDBDRO CC[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000076269351 342320412 /nfs/dbraw/zinc/32/04/12/342320412.db2.gz LWWROQUEAMVYGM-SECBINFHSA-N 1 0 280.332 1.111 20 5 CDBDRO Cc1noc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000595543028 343093978 /nfs/dbraw/zinc/09/39/78/343093978.db2.gz HWUCEXWWUVAGBY-AXFHLTTASA-N 1 0 281.312 1.484 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000595805993 343158908 /nfs/dbraw/zinc/15/89/08/343158908.db2.gz CQIXFAYQVMQUKG-YRGRVCCFSA-N 1 0 292.335 1.676 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000600966003 342354185 /nfs/dbraw/zinc/35/41/85/342354185.db2.gz DQYGDFYVSUPQAW-DTORHVGOSA-N 1 0 294.286 1.702 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000595959210 343196378 /nfs/dbraw/zinc/19/63/78/343196378.db2.gz CKWSYANHKQAMBY-UHFFFAOYSA-N 1 0 294.355 1.227 20 5 CDBDRO Cc1nc(NCC[C@@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000596029928 343216822 /nfs/dbraw/zinc/21/68/22/343216822.db2.gz DVXMLZZZJHKUSA-SNVBAGLBSA-N 1 0 252.318 1.505 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000595949087 343194188 /nfs/dbraw/zinc/19/41/88/343194188.db2.gz XEHODMYFACNQQG-UHFFFAOYSA-N 1 0 269.276 1.543 20 5 CDBDRO Cc1cc(C(=O)N[C@H](C)CC[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000081765140 342373495 /nfs/dbraw/zinc/37/34/95/342373495.db2.gz NIKXABMFYFBNRV-SNVBAGLBSA-N 1 0 294.355 1.555 20 5 CDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000596244762 343285872 /nfs/dbraw/zinc/28/58/72/343285872.db2.gz RIWBMLDEEKZIEG-KWQFWETISA-N 1 0 268.292 1.658 20 5 CDBDRO C[C@H](CCNc1ncnc2cccc([N+](=O)[O-])c21)[NH+](C)C ZINC000596431033 343319184 /nfs/dbraw/zinc/31/91/84/343319184.db2.gz MHUSEZSALFMGQA-SNVBAGLBSA-N 1 0 289.339 1.712 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[C@@H](C)[NH+](C)C)n1 ZINC000596434521 343320821 /nfs/dbraw/zinc/32/08/21/343320821.db2.gz XHMQDCHXJLZOIM-SECBINFHSA-N 1 0 296.327 1.529 20 5 CDBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1c([N+](=O)[O-])ncn1C ZINC000596488842 343329499 /nfs/dbraw/zinc/32/94/99/343329499.db2.gz SCOGCVDXFWMNQZ-NSHDSACASA-N 1 0 281.360 1.861 20 5 CDBDRO Nc1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)nc1[N+](=O)[O-] ZINC000596298620 343291645 /nfs/dbraw/zinc/29/16/45/343291645.db2.gz YXEIUGGHOIVMCL-VXGBXAGGSA-N 1 0 291.355 1.423 20 5 CDBDRO Cc1cc(C(=O)N2CCC3(C[NH+](C)C3)C2)cc([N+](=O)[O-])c1 ZINC000619574003 349808096 /nfs/dbraw/zinc/80/80/96/349808096.db2.gz DIAGKUFOJWUDTQ-UHFFFAOYSA-N 1 0 289.335 1.681 20 5 CDBDRO C[C@H](CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[NH+](C)C ZINC000597992933 343682714 /nfs/dbraw/zinc/68/27/14/343682714.db2.gz PLGHHGQKBVUZAW-SNVBAGLBSA-N 1 0 297.330 1.733 20 5 CDBDRO CCOc1cc(C[N@H+](CCO)CCOC)ccc1[N+](=O)[O-] ZINC000276969747 362253627 /nfs/dbraw/zinc/25/36/27/362253627.db2.gz WUDKBKWPCMCUGT-UHFFFAOYSA-N 1 0 298.339 1.434 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598914525 343919585 /nfs/dbraw/zinc/91/95/85/343919585.db2.gz GWMXOPJXZZBUSR-SSDOTTSWSA-N 1 0 268.248 1.299 20 5 CDBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1C[NH2+]C1 ZINC000598915391 343919669 /nfs/dbraw/zinc/91/96/69/343919669.db2.gz LGAABKOHNIFUOB-UHFFFAOYSA-N 1 0 284.703 1.684 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915779 343920107 /nfs/dbraw/zinc/92/01/07/343920107.db2.gz OPQFJUQEWKGVFV-SSDOTTSWSA-N 1 0 270.264 1.593 20 5 CDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1c(F)cccc1[N+](=O)[O-] ZINC000602430158 344423243 /nfs/dbraw/zinc/42/32/43/344423243.db2.gz WIQDSQPZMHRGMX-VIFPVBQESA-N 1 0 281.287 1.463 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000602595370 344502292 /nfs/dbraw/zinc/50/22/92/344502292.db2.gz IBHUKRAZOHSKMT-CMPLNLGQSA-N 1 0 277.324 1.476 20 5 CDBDRO O=[N+]([O-])c1ccc2oc(CNCC[NH+]3CCCC3)nc2c1 ZINC000602586737 344478030 /nfs/dbraw/zinc/47/80/30/344478030.db2.gz NVPBTQZURXCYMA-UHFFFAOYSA-N 1 0 290.323 1.921 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000602780800 344596280 /nfs/dbraw/zinc/59/62/80/344596280.db2.gz LRRNTNBFVCHLHI-ZJUUUORDSA-N 1 0 284.385 1.926 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000602795568 344586339 /nfs/dbraw/zinc/58/63/39/344586339.db2.gz NMMDFAIHNRZOBX-NEPJUHHUSA-N 1 0 282.344 1.193 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000602798629 344589399 /nfs/dbraw/zinc/58/93/99/344589399.db2.gz QXSWDFSSAZWXAP-ZYHUDNBSSA-N 1 0 282.344 1.193 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000602810895 344602714 /nfs/dbraw/zinc/60/27/14/344602714.db2.gz IMRPCQZNATXJGM-NEPJUHHUSA-N 1 0 264.329 1.974 20 5 CDBDRO COC[C@](C)(CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602933695 344663365 /nfs/dbraw/zinc/66/33/65/344663365.db2.gz XDWOFSTWCBGTKP-LBPRGKRZSA-N 1 0 288.731 1.735 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CSCC[NH2+]2)c(F)c1 ZINC000603418286 344807663 /nfs/dbraw/zinc/80/76/63/344807663.db2.gz FQDIWAVNZPFOJL-MRVPVSSYSA-N 1 0 271.317 1.851 20 5 CDBDRO C[NH2+][C@@H](C)c1cn(Cc2cc([N+](=O)[O-])ccc2OC)nn1 ZINC000313903958 344909477 /nfs/dbraw/zinc/90/94/77/344909477.db2.gz CGBLZROIDWDUTA-VIFPVBQESA-N 1 0 291.311 1.524 20 5 CDBDRO [NH3+][C@@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000050244300 344996586 /nfs/dbraw/zinc/99/65/86/344996586.db2.gz BZXBJKDCFIWUOX-SSDOTTSWSA-N 1 0 287.117 1.290 20 5 CDBDRO Cc1cc(NC[C@@](C)(O)C[NH+](C)C)ncc1[N+](=O)[O-] ZINC000228669344 362507191 /nfs/dbraw/zinc/50/71/91/362507191.db2.gz RYLJTXTXDRNFSL-GFCCVEGCSA-N 1 0 268.317 1.023 20 5 CDBDRO CC(C)(CO)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000618572094 345063257 /nfs/dbraw/zinc/06/32/57/345063257.db2.gz WJUBWDLXXQXDQP-NEPJUHHUSA-N 1 0 296.371 1.883 20 5 CDBDRO CC(C)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000072521782 345327330 /nfs/dbraw/zinc/32/73/30/345327330.db2.gz MHHLQHFBOMCVNQ-UHFFFAOYSA-N 1 0 264.329 1.768 20 5 CDBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1cccnc1[N+](=O)[O-] ZINC000609670898 345988743 /nfs/dbraw/zinc/98/87/43/345988743.db2.gz RBHUMZAQKGGCDY-NSHDSACASA-N 1 0 264.329 1.768 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[NH2+]C2CC2)c1 ZINC000088147713 346013392 /nfs/dbraw/zinc/01/33/92/346013392.db2.gz MGTKVJOFEHDABH-UHFFFAOYSA-N 1 0 263.297 1.385 20 5 CDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000609877991 346031163 /nfs/dbraw/zinc/03/11/63/346031163.db2.gz SAOUFMGTPXDERW-LLVKDONJSA-N 1 0 294.355 1.538 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000295138142 199366624 /nfs/dbraw/zinc/36/66/24/199366624.db2.gz PLULWIKNBQVDFP-CQSZACIVSA-N 1 0 293.367 1.531 20 5 CDBDRO O=[N+]([O-])c1ncccc1N1CC[NH+](C2CCOCC2)CC1 ZINC000610480084 346290218 /nfs/dbraw/zinc/29/02/18/346290218.db2.gz GBGADMYVVGAAOJ-UHFFFAOYSA-N 1 0 292.339 1.291 20 5 CDBDRO O=[N+]([O-])c1ncccc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000610541902 346308052 /nfs/dbraw/zinc/30/80/52/346308052.db2.gz KXYGVLFEAHETLQ-GFCCVEGCSA-N 1 0 292.339 1.148 20 5 CDBDRO COc1ccc(CNC(=O)[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000610560019 346310116 /nfs/dbraw/zinc/31/01/16/346310116.db2.gz NFWPSENQEIMQDJ-VIFPVBQESA-N 1 0 281.312 1.170 20 5 CDBDRO O=[N+]([O-])c1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)cc1OC(F)F ZINC000611296260 346740695 /nfs/dbraw/zinc/74/06/95/346740695.db2.gz OXHRGWMIGHNBMT-RKDXNWHRSA-N 1 0 299.277 1.852 20 5 CDBDRO Cc1cc(N2CC[N@@H+](C)[C@@H](C)[C@H]2C)ncc1[N+](=O)[O-] ZINC000611299135 346740878 /nfs/dbraw/zinc/74/08/78/346740878.db2.gz QKRAUQUANDKRKR-WDEREUQCSA-N 1 0 264.329 1.827 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@@H]2CO)cc1 ZINC000067386903 347553527 /nfs/dbraw/zinc/55/35/27/347553527.db2.gz HEZFNKIZVDOWDQ-CYBMUJFWSA-N 1 0 280.324 1.820 20 5 CDBDRO Cc1ccc(C(=O)N(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000122217016 347616355 /nfs/dbraw/zinc/61/63/55/347616355.db2.gz SLYNWJCDSOLBEJ-UHFFFAOYSA-N 1 0 251.286 1.324 20 5 CDBDRO CO[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273421777 192145364 /nfs/dbraw/zinc/14/53/64/192145364.db2.gz ZAMKFAZQBRJVNL-NEPJUHHUSA-N 1 0 296.323 1.055 20 5 CDBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000273449370 192154947 /nfs/dbraw/zinc/15/49/47/192154947.db2.gz OJFCCHJCHLIOOJ-SNVBAGLBSA-N 1 0 298.364 1.757 20 5 CDBDRO C[NH+](C)C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000058115170 348855190 /nfs/dbraw/zinc/85/51/90/348855190.db2.gz LTPCGNNKVBRPST-UHFFFAOYSA-N 1 0 271.342 1.726 20 5 CDBDRO COCCC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000066379036 348981726 /nfs/dbraw/zinc/98/17/26/348981726.db2.gz CESAPYYSSMKQEZ-UHFFFAOYSA-N 1 0 295.339 1.892 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CC[NH+](C)C ZINC000068473687 349068311 /nfs/dbraw/zinc/06/83/11/349068311.db2.gz RLBNYUGEANUIET-SNVBAGLBSA-N 1 0 295.339 1.673 20 5 CDBDRO CC[NH+](CC)CCNc1c([N+](=O)[O-])c(C)nn1C ZINC000036749226 362939788 /nfs/dbraw/zinc/93/97/88/362939788.db2.gz NTVFAZRFGIJPKH-UHFFFAOYSA-N 1 0 255.322 1.390 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000054773805 349411120 /nfs/dbraw/zinc/41/11/20/349411120.db2.gz WBUURCCFKGLSOT-JTQLQIEISA-N 1 0 295.314 1.948 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000090552193 180002351 /nfs/dbraw/zinc/00/23/51/180002351.db2.gz GIBQJJLUTWOYRJ-RYUDHWBXSA-N 1 0 277.324 1.488 20 5 CDBDRO COc1ccc(C(=O)NC[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000109849905 186277946 /nfs/dbraw/zinc/27/79/46/186277946.db2.gz NGCLNFKLGHOHEL-SNVBAGLBSA-N 1 0 293.323 1.285 20 5 CDBDRO C[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000121436691 186972386 /nfs/dbraw/zinc/97/23/86/186972386.db2.gz HAHBYSGLSIPUIL-UHFFFAOYSA-N 1 0 296.283 1.151 20 5 CDBDRO Cc1c(C[N@@H+](CCO)C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000289661321 363167420 /nfs/dbraw/zinc/16/74/20/363167420.db2.gz FIUQHCJKUAZBAA-SNVBAGLBSA-N 1 0 268.313 1.078 20 5 CDBDRO Cc1cc(C(=O)NC(C)(C)C[NH3+])cc([N+](=O)[O-])c1 ZINC000135226103 187809407 /nfs/dbraw/zinc/80/94/07/187809407.db2.gz SSDKDTNPWNSAEY-UHFFFAOYSA-N 1 0 251.286 1.370 20 5 CDBDRO CC(C)(C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000295164643 199381917 /nfs/dbraw/zinc/38/19/17/199381917.db2.gz FHINLPUOYOVNJG-ITGUQSILSA-N 1 0 289.335 1.206 20 5 CDBDRO CCOC[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154400037 188139774 /nfs/dbraw/zinc/13/97/74/188139774.db2.gz OBRFSOIJBRRBNZ-DOMZBBRYSA-N 1 0 294.351 1.987 20 5 CDBDRO COc1cc(C(=O)N[C@@](C)(C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000156716655 188278055 /nfs/dbraw/zinc/27/80/55/188278055.db2.gz GYTNLKUORRGQER-AWEZNQCLSA-N 1 0 293.323 1.461 20 5 CDBDRO CC[NH+](CC)CCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000158092477 188356515 /nfs/dbraw/zinc/35/65/15/188356515.db2.gz KSFGGMOWQJAYBW-UHFFFAOYSA-N 1 0 293.367 1.904 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000160695866 188486974 /nfs/dbraw/zinc/48/69/74/188486974.db2.gz ATBXALDZKXDWLG-JTQLQIEISA-N 1 0 295.364 1.751 20 5 CDBDRO CCNC(=O)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000293370591 198615370 /nfs/dbraw/zinc/61/53/70/198615370.db2.gz VHCAXRQSAACFOD-ZDUSSCGKSA-N 1 0 279.340 1.845 20 5 CDBDRO C[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)c1ccccc1[N+](=O)[O-] ZINC001579481367 1172194924 /nfs/dbraw/zinc/19/49/24/1172194924.db2.gz ZHFHZHBSJDODCV-JOYOIKCWSA-N 1 0 277.324 1.899 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000134612076 356362367 /nfs/dbraw/zinc/36/23/67/356362367.db2.gz AFRIGMZBTVYYDN-SNVBAGLBSA-N 1 0 250.302 1.744 20 5 CDBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1N)C1CC1 ZINC000059931491 356371988 /nfs/dbraw/zinc/37/19/88/356371988.db2.gz INUDOEDTAGSZGJ-UHFFFAOYSA-N 1 0 278.312 1.001 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](CO)C1CCOCC1 ZINC000359868374 356429550 /nfs/dbraw/zinc/42/95/50/356429550.db2.gz GBIVTILDLHOTQQ-ZDUSSCGKSA-N 1 0 280.324 1.472 20 5 CDBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cn1 ZINC000273659657 192250593 /nfs/dbraw/zinc/25/05/93/192250593.db2.gz VVBZDHICHWPFSN-GHMZBOCLSA-N 1 0 279.344 1.917 20 5 CDBDRO Cc1c(C[NH2+][C@@H](CO)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000359898354 356438147 /nfs/dbraw/zinc/43/81/47/356438147.db2.gz UEVBGBIMDSFREH-AWEZNQCLSA-N 1 0 294.351 1.780 20 5 CDBDRO CC[C@H](CCO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000134986537 356916163 /nfs/dbraw/zinc/91/61/63/356916163.db2.gz SIPGLAQKZXSNEV-LLVKDONJSA-N 1 0 268.313 1.854 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(O)CC2)cc1 ZINC000048335001 357178292 /nfs/dbraw/zinc/17/82/92/357178292.db2.gz AFCQQOBSRRLREM-UHFFFAOYSA-N 1 0 250.298 1.594 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000236819048 357262784 /nfs/dbraw/zinc/26/27/84/357262784.db2.gz IJVOSLVZPJQJDB-NSHDSACASA-N 1 0 295.339 1.607 20 5 CDBDRO CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000282210472 357271899 /nfs/dbraw/zinc/27/18/99/357271899.db2.gz DHLFEOFATBCHDF-LLVKDONJSA-N 1 0 293.323 1.314 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000107830056 357365746 /nfs/dbraw/zinc/36/57/46/357365746.db2.gz BDZAAAHMRBERJP-NXEZZACHSA-N 1 0 265.317 1.367 20 5 CDBDRO CCCc1n[nH]c(C(=O)NC[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000294043733 198883944 /nfs/dbraw/zinc/88/39/44/198883944.db2.gz FVEFZZQZMPNCDA-SECBINFHSA-N 1 0 297.359 1.198 20 5 CDBDRO CNc1ccc(C(=O)N[C@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000566201537 357434247 /nfs/dbraw/zinc/43/42/47/357434247.db2.gz HZORKFPTHQQTFA-NSHDSACASA-N 1 0 294.355 1.740 20 5 CDBDRO CC[NH+](CC)CCSc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290735476 357500042 /nfs/dbraw/zinc/50/00/42/357500042.db2.gz GOPNVBJXVQTTKU-UHFFFAOYSA-N 1 0 298.368 1.523 20 5 CDBDRO Cc1ccc(NC(=O)[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000062889695 357713243 /nfs/dbraw/zinc/71/32/43/357713243.db2.gz IPGGUPVAFXPXGJ-ZDUSSCGKSA-N 1 0 263.297 1.841 20 5 CDBDRO C[NH+](C)CC(C)(C)CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186761427 357685822 /nfs/dbraw/zinc/68/58/22/357685822.db2.gz OULGGYNJYNTJJJ-UHFFFAOYSA-N 1 0 296.327 1.013 20 5 CDBDRO CNC(=O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135228564 357798980 /nfs/dbraw/zinc/79/89/80/357798980.db2.gz QUIZJRJPSHWXQX-UHFFFAOYSA-N 1 0 263.297 1.305 20 5 CDBDRO C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000361106259 357800561 /nfs/dbraw/zinc/80/05/61/357800561.db2.gz FIGRHLRFJMXKGC-STQMWFEESA-N 1 0 293.367 1.966 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135216950 357782844 /nfs/dbraw/zinc/78/28/44/357782844.db2.gz BODWAQNTGRFRKR-FZMZJTMJSA-N 1 0 291.351 1.866 20 5 CDBDRO Cc1c(CC(=O)N2CC[NH2+][C@H](C)C2)cccc1[N+](=O)[O-] ZINC000189003123 357961365 /nfs/dbraw/zinc/96/13/65/357961365.db2.gz VDXKCQHQLXQRJO-SNVBAGLBSA-N 1 0 277.324 1.266 20 5 CDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[NH2+]CC1 ZINC000019474170 363592921 /nfs/dbraw/zinc/59/29/21/363592921.db2.gz CPENSFKLVNPKRU-ZZXKWVIFSA-N 1 0 261.281 1.040 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CC[C@@H](O)C2)cs1 ZINC000188816070 357940501 /nfs/dbraw/zinc/94/05/01/357940501.db2.gz IIYPIHWPNOQMCF-WCBMZHEXSA-N 1 0 256.327 1.907 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000361662666 358410140 /nfs/dbraw/zinc/41/01/40/358410140.db2.gz RBDZWIOATITVRA-ZYHUDNBSSA-N 1 0 250.298 1.655 20 5 CDBDRO C[C@H]1CC[C@H]([N@H+](CCO)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000351633795 366439032 /nfs/dbraw/zinc/43/90/32/366439032.db2.gz MGEOIMVQACVBCS-RYUDHWBXSA-N 1 0 282.344 1.274 20 5 CDBDRO CC[C@@H](C)[N@H+](CCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000287427048 358573047 /nfs/dbraw/zinc/57/30/47/358573047.db2.gz PHEQHMGNAMQORD-RISCZKNCSA-N 1 0 282.340 1.721 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000567473716 358681314 /nfs/dbraw/zinc/68/13/14/358681314.db2.gz QWSNNDMJPUPDCX-SFYZADRCSA-N 1 0 291.311 1.327 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2ncn(CC[C@H]3CC[NH2+]C3)n2)cc1 ZINC000396658555 358794516 /nfs/dbraw/zinc/79/45/16/358794516.db2.gz RQFFWDIMYLJNOJ-LLVKDONJSA-N 1 0 287.323 1.853 20 5 CDBDRO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000104188473 358950357 /nfs/dbraw/zinc/95/03/57/358950357.db2.gz NIYJSUIFBNNETI-LLVKDONJSA-N 1 0 277.324 1.585 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000132657540 359025748 /nfs/dbraw/zinc/02/57/48/359025748.db2.gz ZROUHXMQYCQAKB-UHFFFAOYSA-N 1 0 271.704 1.715 20 5 CDBDRO C[C@H]([NH3+])C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000119861153 359030618 /nfs/dbraw/zinc/03/06/18/359030618.db2.gz GOENIQKUSWSISQ-QMMMGPOBSA-N 1 0 251.286 1.293 20 5 CDBDRO Cc1ccc(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)cc1[N+](=O)[O-] ZINC000381398726 359043594 /nfs/dbraw/zinc/04/35/94/359043594.db2.gz UQZAZLYAZPVUMH-ZYHUDNBSSA-N 1 0 277.324 1.855 20 5 CDBDRO CC[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1CCOC ZINC000105791323 358986427 /nfs/dbraw/zinc/98/64/27/358986427.db2.gz ROENUAMRUFPBFJ-LBPRGKRZSA-N 1 0 294.355 1.537 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c1 ZINC000451700563 359072671 /nfs/dbraw/zinc/07/26/71/359072671.db2.gz XVODCFOIYZWUMU-BZPMIXESSA-N 1 0 294.355 1.274 20 5 CDBDRO COC[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000120398196 359101038 /nfs/dbraw/zinc/10/10/38/359101038.db2.gz FBUJLXPVKJHEFI-WDEREUQCSA-N 1 0 295.339 1.936 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCSC1 ZINC000119977766 359052758 /nfs/dbraw/zinc/05/27/58/359052758.db2.gz HDWMOGBUXRNAFY-VIFPVBQESA-N 1 0 256.331 1.229 20 5 CDBDRO CCC[N@H+](C)CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338333923 359118955 /nfs/dbraw/zinc/11/89/55/359118955.db2.gz WWDZTEJLZBAHRM-UHFFFAOYSA-N 1 0 293.367 1.938 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000570038741 359274333 /nfs/dbraw/zinc/27/43/33/359274333.db2.gz GWPIUAPLGOOTCQ-ZWNOBZJWSA-N 1 0 292.339 1.121 20 5 CDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[NH2+]1 ZINC000050015901 359275796 /nfs/dbraw/zinc/27/57/96/359275796.db2.gz JYFXWXVQHQXNBD-NSHDSACASA-N 1 0 263.297 1.353 20 5 CDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CCC[NH2+]C1 ZINC000050162338 359352510 /nfs/dbraw/zinc/35/25/10/359352510.db2.gz DUAHZFZTIZLBJB-VHSXEESVSA-N 1 0 280.328 1.051 20 5 CDBDRO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C)[NH+]1C ZINC000339618065 359416393 /nfs/dbraw/zinc/41/63/93/359416393.db2.gz ALDDRODAMPMEBU-CHWSQXEVSA-N 1 0 293.367 1.998 20 5 CDBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000339632600 359420450 /nfs/dbraw/zinc/42/04/50/359420450.db2.gz DHCUQMLYFHBNBA-NSHDSACASA-N 1 0 268.313 1.676 20 5 CDBDRO Cc1c(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000261789445 359462060 /nfs/dbraw/zinc/46/20/60/359462060.db2.gz QITYNOXRCOAIGT-OCCSQVGLSA-N 1 0 275.352 1.945 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000157300710 237098938 /nfs/dbraw/zinc/09/89/38/237098938.db2.gz WQCCTIFKQODOPP-LLVKDONJSA-N 1 0 281.312 1.317 20 5 CDBDRO CO[C@@H](C)CN(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000353203252 359608219 /nfs/dbraw/zinc/60/82/19/359608219.db2.gz LKBXBPXWXUTPPS-VIFPVBQESA-N 1 0 278.312 1.938 20 5 CDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCC1CC[NH2+]CC1 ZINC000297220779 200118460 /nfs/dbraw/zinc/11/84/60/200118460.db2.gz OCPODFPGDSCYIM-UHFFFAOYSA-N 1 0 292.339 1.123 20 5 CDBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331017405 359730239 /nfs/dbraw/zinc/73/02/39/359730239.db2.gz VOUHVPAGMGBSGC-QWRGUYRKSA-N 1 0 252.318 1.912 20 5 CDBDRO Cc1nc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000297553303 200225816 /nfs/dbraw/zinc/22/58/16/200225816.db2.gz QYPNUBDNSVYRQF-PSASIEDQSA-N 1 0 277.328 1.730 20 5 CDBDRO C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000235327417 360026635 /nfs/dbraw/zinc/02/66/35/360026635.db2.gz CKWMYTWJXFMSKO-BXUZGUMPSA-N 1 0 291.351 1.723 20 5 CDBDRO COc1ccc(OCC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000122540343 360307833 /nfs/dbraw/zinc/30/78/33/360307833.db2.gz XNQVXADTRXGKGB-SNVBAGLBSA-N 1 0 266.297 1.982 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000162837943 360533044 /nfs/dbraw/zinc/53/30/44/360533044.db2.gz HZQWITMTANSEFC-QWRGUYRKSA-N 1 0 279.340 1.936 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000147934203 360682563 /nfs/dbraw/zinc/68/25/63/360682563.db2.gz NUUGGBOBWFMFHD-NSHDSACASA-N 1 0 263.297 1.337 20 5 CDBDRO CC(C)(C)[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000178869251 189151617 /nfs/dbraw/zinc/15/16/17/189151617.db2.gz GARGQAGSIITDBI-NEPJUHHUSA-N 1 0 295.339 1.118 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000053202623 361204082 /nfs/dbraw/zinc/20/40/82/361204082.db2.gz TZZRGHZHBVJCBS-LLVKDONJSA-N 1 0 263.297 1.419 20 5 CDBDRO CC[C@H]([NH3+])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000269068692 366785418 /nfs/dbraw/zinc/78/54/18/366785418.db2.gz YGIXLPRKDBHWDG-NSHDSACASA-N 1 0 285.731 1.944 20 5 CDBDRO Cc1cc(NC[C@H](C)C[NH+](C)C)ncc1[N+](=O)[O-] ZINC000291798120 239237808 /nfs/dbraw/zinc/23/78/08/239237808.db2.gz JHVAZJRWIMUNNM-VIFPVBQESA-N 1 0 252.318 1.908 20 5 CDBDRO CC[NH+](CC)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000302163249 201374680 /nfs/dbraw/zinc/37/46/80/201374680.db2.gz QDMHFLAAOSOVFW-NSHDSACASA-N 1 0 279.344 1.553 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000455340215 252389461 /nfs/dbraw/zinc/38/94/61/252389461.db2.gz VOCJRRYUMZZMBP-VIFPVBQESA-N 1 0 296.302 1.807 20 5 CDBDRO C[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580423089 363905891 /nfs/dbraw/zinc/90/58/91/363905891.db2.gz DLKQZROAKFHQSY-NTZNESFSSA-N 1 0 280.324 1.580 20 5 CDBDRO COc1nccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000295261698 363969093 /nfs/dbraw/zinc/96/90/93/363969093.db2.gz VAPYSDPZBPZKNW-UHFFFAOYSA-N 1 0 288.307 1.726 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CCn1cc([N+](=O)[O-])cc(F)c1=O ZINC000582121967 364070055 /nfs/dbraw/zinc/07/00/55/364070055.db2.gz RLZACQZBFBFUKE-SNVBAGLBSA-N 1 0 283.303 1.770 20 5 CDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000345826266 364025658 /nfs/dbraw/zinc/02/56/58/364025658.db2.gz PYEFMVLNVNQUHN-VXGBXAGGSA-N 1 0 277.324 1.599 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000168628003 364031321 /nfs/dbraw/zinc/03/13/21/364031321.db2.gz ZDSSAJHIAAOYEV-QWRGUYRKSA-N 1 0 279.340 1.773 20 5 CDBDRO C[NH2+]CCCn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000582299501 364082892 /nfs/dbraw/zinc/08/28/92/364082892.db2.gz PUJJSEGCBGHALZ-UHFFFAOYSA-N 1 0 288.307 1.428 20 5 CDBDRO CCN(CCC[NH+](CC)CC)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000582439412 364089631 /nfs/dbraw/zinc/08/96/31/364089631.db2.gz NGNQYNHEDLDQJM-UHFFFAOYSA-N 1 0 297.359 1.512 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC000088147766 364263253 /nfs/dbraw/zinc/26/32/53/364263253.db2.gz KXMFXSAXQKNGLP-PHIMTYICSA-N 1 0 277.324 1.726 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC1(C[NH+](C)C)CCC1 ZINC000545959731 364793513 /nfs/dbraw/zinc/79/35/13/364793513.db2.gz SCLPSGMAKOMEII-UHFFFAOYSA-N 1 0 280.328 1.147 20 5 CDBDRO C[C@H]1C[N@H+](C)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000353597510 364896706 /nfs/dbraw/zinc/89/67/06/364896706.db2.gz TXNNFFJEWJKXCC-VIFPVBQESA-N 1 0 255.343 1.792 20 5 CDBDRO CC1(C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000275440510 193038169 /nfs/dbraw/zinc/03/81/69/193038169.db2.gz KFANHTBQCIWHQE-KBPBESRZSA-N 1 0 294.351 1.721 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000457083760 365380342 /nfs/dbraw/zinc/38/03/42/365380342.db2.gz KTWBSUIHXPQTBV-SNVBAGLBSA-N 1 0 281.312 1.743 20 5 CDBDRO CS[C@H]1CN(c2nccc(C)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000271117089 366969349 /nfs/dbraw/zinc/96/93/49/366969349.db2.gz RBAOQKSDXQFGSO-MNOVXSKESA-N 1 0 296.396 1.780 20 5 CDBDRO CC(C)(C(=O)NCCC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000269120104 367132832 /nfs/dbraw/zinc/13/28/32/367132832.db2.gz JJQAUGMRKLGQBQ-UHFFFAOYSA-N 1 0 265.313 1.337 20 5 CDBDRO CCc1ccc(C(=O)N2CC[C@@H]([NH2+]C)C2)cc1[N+](=O)[O-] ZINC000269125898 367157274 /nfs/dbraw/zinc/15/72/74/367157274.db2.gz MBIZMWKWBPCKCT-GFCCVEGCSA-N 1 0 277.324 1.591 20 5 CDBDRO C[C@H](NC(=O)N(C)C1CC([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417127287 242330055 /nfs/dbraw/zinc/33/00/55/242330055.db2.gz FRSFJVRGUJGHIS-FJJSSXBZSA-N 1 0 292.339 1.787 20 5 CDBDRO C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000272471892 367739530 /nfs/dbraw/zinc/73/95/30/367739530.db2.gz ABHGYYFPJWGENV-GHMZBOCLSA-N 1 0 292.339 1.216 20 5 CDBDRO C[C@H](O)[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000272634749 367785872 /nfs/dbraw/zinc/78/58/72/367785872.db2.gz WTSZOZJRJNGILX-RYUDHWBXSA-N 1 0 280.324 1.676 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](C2CCC2)CC1 ZINC000264956981 367893651 /nfs/dbraw/zinc/89/36/51/367893651.db2.gz MKJCPRVFEOPRKF-UHFFFAOYSA-N 1 0 265.317 1.003 20 5 CDBDRO C[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[NH2+]1 ZINC000269220217 367941795 /nfs/dbraw/zinc/94/17/95/367941795.db2.gz REUSLPJSVUCKJX-QMMMGPOBSA-N 1 0 283.715 1.682 20 5 CDBDRO C[NH2+]CCCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000420135687 243880973 /nfs/dbraw/zinc/88/09/73/243880973.db2.gz HOZYVCIZPSQATI-UHFFFAOYSA-N 1 0 260.297 1.586 20 5 CDBDRO CC(C)C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037562576 369079998 /nfs/dbraw/zinc/07/99/98/369079998.db2.gz KOPGCHBFSDMCQN-UHFFFAOYSA-N 1 0 271.342 1.518 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000037563262 369081636 /nfs/dbraw/zinc/08/16/36/369081636.db2.gz FROFNVXBQXBUGT-UHFFFAOYSA-N 1 0 257.315 1.386 20 5 CDBDRO CNC(=O)CC[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000170781250 369050489 /nfs/dbraw/zinc/05/04/89/369050489.db2.gz KOVUBCFWUDXKGM-UHFFFAOYSA-N 1 0 281.312 1.042 20 5 CDBDRO Cc1nc(NC[C@H]2CC[C@H](C[NH3+])CC2)ncc1[N+](=O)[O-] ZINC000420268872 244001596 /nfs/dbraw/zinc/00/15/96/244001596.db2.gz XXBDPYSGFBYFHW-XYPYZODXSA-N 1 0 279.344 1.292 20 5 CDBDRO Cc1nn(C)c(NC[C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420269877 244001806 /nfs/dbraw/zinc/00/18/06/244001806.db2.gz BUAFRFPJOBDAAW-UWVGGRQHSA-N 1 0 267.333 1.566 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000420272869 244006793 /nfs/dbraw/zinc/00/67/93/244006793.db2.gz DPVKDEOIUGSLHO-NXEZZACHSA-N 1 0 250.302 1.919 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000420294770 244038483 /nfs/dbraw/zinc/03/84/83/244038483.db2.gz ZHCIRSJGQUWOII-VHSXEESVSA-N 1 0 250.302 1.919 20 5 CDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000330701899 203131667 /nfs/dbraw/zinc/13/16/67/203131667.db2.gz HRXNYYZLPKNAOG-JTQLQIEISA-N 1 0 295.343 1.231 20 5 CDBDRO C[NH2+]CCN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000420343509 244117435 /nfs/dbraw/zinc/11/74/35/244117435.db2.gz ZKEAPPYRMJTUCF-UHFFFAOYSA-N 1 0 264.285 1.387 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000420369974 244159270 /nfs/dbraw/zinc/15/92/70/244159270.db2.gz VNWYRIBKZHJACV-LBPRGKRZSA-N 1 0 294.355 1.157 20 5 CDBDRO O=C(N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000361111731 284140207 /nfs/dbraw/zinc/14/02/07/284140207.db2.gz RWRDZIVOPXKTRC-MWLCHTKSSA-N 1 0 278.312 1.041 20 5 CDBDRO C[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000299485048 369773755 /nfs/dbraw/zinc/77/37/55/369773755.db2.gz DOISPNOOTNCSKF-LBPRGKRZSA-N 1 0 263.297 1.305 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000037668447 369783817 /nfs/dbraw/zinc/78/38/17/369783817.db2.gz JZTUVYNEEGCLRX-LLVKDONJSA-N 1 0 263.297 1.211 20 5 CDBDRO CC[NH2+]CCN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414830499 370451109 /nfs/dbraw/zinc/45/11/09/370451109.db2.gz OEPCZBWHNXUQIT-LLVKDONJSA-N 1 0 294.355 1.511 20 5 CDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH3+] ZINC000422698363 245156285 /nfs/dbraw/zinc/15/62/85/245156285.db2.gz YYEHOVKLQZZTJR-UHFFFAOYSA-N 1 0 269.326 1.395 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[C@H](C)[NH3+] ZINC000422781618 245249610 /nfs/dbraw/zinc/24/96/10/245249610.db2.gz LSDNZHARYXEJFA-JTQLQIEISA-N 1 0 279.340 1.987 20 5 CDBDRO CC(C)[C@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000367925421 371132641 /nfs/dbraw/zinc/13/26/41/371132641.db2.gz DJHBEJBJKPVECJ-GFCCVEGCSA-N 1 0 282.344 1.445 20 5 CDBDRO C[C@@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414958354 371171219 /nfs/dbraw/zinc/17/12/19/371171219.db2.gz WPWJIIVUJKFVQG-SCZZXKLOSA-N 1 0 255.343 1.886 20 5 CDBDRO C[C@@H](CN(C)C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000168801551 371610875 /nfs/dbraw/zinc/61/08/75/371610875.db2.gz RGKVMIFVKQRTGQ-NSHDSACASA-N 1 0 251.330 1.677 20 5 CDBDRO Cc1sc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000332702986 204909359 /nfs/dbraw/zinc/90/93/59/204909359.db2.gz XLLJRZDHJHDORA-SVRRBLITSA-N 1 0 269.326 1.384 20 5 CDBDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000232281240 372901100 /nfs/dbraw/zinc/90/11/00/372901100.db2.gz QGVQULQJKAGISX-LLVKDONJSA-N 1 0 295.314 1.692 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000040602104 372926285 /nfs/dbraw/zinc/92/62/85/372926285.db2.gz FBIZXOAAKPODKJ-SNVBAGLBSA-N 1 0 250.302 1.426 20 5 CDBDRO CC(C)(C(=O)NCCCC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000272937227 373373400 /nfs/dbraw/zinc/37/34/00/373373400.db2.gz JFSADYWZDVZHEL-UHFFFAOYSA-N 1 0 279.340 1.728 20 5 CDBDRO Cc1sc(C(=O)NC[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000441621303 373720391 /nfs/dbraw/zinc/72/03/91/373720391.db2.gz BEDWYBRPKDAFRO-ZCFIWIBFSA-N 1 0 257.315 1.289 20 5 CDBDRO COc1ccc(CN(C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000347098794 373754831 /nfs/dbraw/zinc/75/48/31/373754831.db2.gz IPRZSYDRSWTIDU-VIFPVBQESA-N 1 0 253.302 1.382 20 5 CDBDRO COCC[C@H](CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000547395743 374159991 /nfs/dbraw/zinc/15/99/91/374159991.db2.gz NIXQQDCYEHOXLO-VXGBXAGGSA-N 1 0 282.340 1.951 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000113455545 374257669 /nfs/dbraw/zinc/25/76/69/374257669.db2.gz ISCMYQPJTBKWME-GFCCVEGCSA-N 1 0 291.351 1.547 20 5 CDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000225346075 374243379 /nfs/dbraw/zinc/24/33/79/374243379.db2.gz AEKLRXHYTYZGLD-NSHDSACASA-N 1 0 298.774 1.906 20 5 CDBDRO C[NH+](C)[C@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])C1CC1 ZINC000420578717 374298714 /nfs/dbraw/zinc/29/87/14/374298714.db2.gz BOZAGNOECNHWJH-GFCCVEGCSA-N 1 0 292.339 1.446 20 5 CDBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000420899131 374304171 /nfs/dbraw/zinc/30/41/71/374304171.db2.gz GMFGUMHCOYPQEL-KLPPZKSPSA-N 1 0 250.298 1.798 20 5 CDBDRO O=[N+]([O-])c1cccc(CN(C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000347135995 374354598 /nfs/dbraw/zinc/35/45/98/374354598.db2.gz TTWNJBGWWTYCLP-AWEZNQCLSA-N 1 0 261.325 1.921 20 5 CDBDRO CCC[C@@](C)([NH3+])C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423825228 246121955 /nfs/dbraw/zinc/12/19/55/246121955.db2.gz KPIROHNZFXANRN-CQSZACIVSA-N 1 0 292.339 1.392 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000131843044 374395166 /nfs/dbraw/zinc/39/51/66/374395166.db2.gz PCIQZZXZPIOMES-VHSXEESVSA-N 1 0 263.297 1.404 20 5 CDBDRO CC[C@@H]([NH2+]C[C@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423523856 374388407 /nfs/dbraw/zinc/38/84/07/374388407.db2.gz NUJZHNCRLJXNHQ-ZIAGYGMSSA-N 1 0 279.340 1.624 20 5 CDBDRO C[NH2+]CCN(C)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000423517018 374388897 /nfs/dbraw/zinc/38/88/97/374388897.db2.gz NXXXJOOVQUGSEE-UHFFFAOYSA-N 1 0 265.313 1.124 20 5 CDBDRO [NH3+]C1(c2noc(-c3cc([N+](=O)[O-])n[nH]3)n2)CCCCC1 ZINC000424352844 374410957 /nfs/dbraw/zinc/41/09/57/374410957.db2.gz ZRJCLEKXTVBFRT-UHFFFAOYSA-N 1 0 278.272 1.486 20 5 CDBDRO Nc1cc(N)[nH+]c(SCc2ccccc2[N+](=O)[O-])n1 ZINC000011391006 374429321 /nfs/dbraw/zinc/42/93/21/374429321.db2.gz WHAULGFRIZMMHI-UHFFFAOYSA-N 1 0 277.309 1.842 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000070172315 374654085 /nfs/dbraw/zinc/65/40/85/374654085.db2.gz CPLSGFVIHAOLNR-DTWKUNHWSA-N 1 0 283.353 1.856 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000274551868 374675322 /nfs/dbraw/zinc/67/53/22/374675322.db2.gz HZYFUURVTNACEM-UHFFFAOYSA-N 1 0 266.301 1.089 20 5 CDBDRO COC(=O)[C@H]1C[C@H](C)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000274998930 374687841 /nfs/dbraw/zinc/68/78/41/374687841.db2.gz PIBIRXYRVWYGJX-ZYHUDNBSSA-N 1 0 296.327 1.065 20 5 CDBDRO CC[C@@H](CO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449263980 374795675 /nfs/dbraw/zinc/79/56/75/374795675.db2.gz KIYGSEMJMINHTP-JQWIXIFHSA-N 1 0 252.314 1.886 20 5 CDBDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000449462752 374811021 /nfs/dbraw/zinc/81/10/21/374811021.db2.gz VQBFICDHEWNIIR-RISCZKNCSA-N 1 0 298.314 1.875 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@H]3CCOC3)C2)nc1 ZINC000331422504 374949671 /nfs/dbraw/zinc/94/96/71/374949671.db2.gz LCGKAYOYEWLTFN-NEPJUHHUSA-N 1 0 292.339 1.513 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@]1(C)CCCO ZINC000332668141 375042973 /nfs/dbraw/zinc/04/29/73/375042973.db2.gz QAOWJIARNCGJRH-ZDUSSCGKSA-N 1 0 282.344 1.455 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1 ZINC000125239003 374981951 /nfs/dbraw/zinc/98/19/51/374981951.db2.gz VMJBHCXTINQJST-YUTCNCBUSA-N 1 0 262.309 1.798 20 5 CDBDRO CC1(C)CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1O ZINC000282383743 375084142 /nfs/dbraw/zinc/08/41/42/375084142.db2.gz DATXSUGKQHGKOL-LBPRGKRZSA-N 1 0 268.288 1.937 20 5 CDBDRO CC[C@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282465535 375088347 /nfs/dbraw/zinc/08/83/47/375088347.db2.gz NETZSUCUFXUZPN-ZDUSSCGKSA-N 1 0 252.314 1.840 20 5 CDBDRO CCOC[C@@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282529872 375093137 /nfs/dbraw/zinc/09/31/37/375093137.db2.gz UWJGYULBKFNCLC-AWEZNQCLSA-N 1 0 282.340 1.467 20 5 CDBDRO CCC[N@H+](CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283333698 375112859 /nfs/dbraw/zinc/11/28/59/375112859.db2.gz ANAFHJAVBYBEIX-UHFFFAOYSA-N 1 0 295.339 1.628 20 5 CDBDRO C[NH2+]CCCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493536354 375462787 /nfs/dbraw/zinc/46/27/87/375462787.db2.gz ZPWYPIBVHBKIEB-XQRVVYSFSA-N 1 0 281.287 1.473 20 5 CDBDRO C[N@H+](CCCCCO)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000227116817 375446071 /nfs/dbraw/zinc/44/60/71/375446071.db2.gz CPMPVHBMLJLTTD-UHFFFAOYSA-N 1 0 295.339 1.288 20 5 CDBDRO CCOC(=O)[C@H](C)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000353614314 375633403 /nfs/dbraw/zinc/63/34/03/375633403.db2.gz SFRDGXAMUDYDAD-JTQLQIEISA-N 1 0 266.297 1.978 20 5 CDBDRO CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000163543067 375731592 /nfs/dbraw/zinc/73/15/92/375731592.db2.gz LESZHOZQUGTTIB-JTQLQIEISA-N 1 0 286.353 1.680 20 5 CDBDRO CS[C@@H](CO)[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000228381995 375753500 /nfs/dbraw/zinc/75/35/00/375753500.db2.gz DMJQJVMWZMILMZ-MFKMUULPSA-N 1 0 284.381 1.839 20 5 CDBDRO O=C(NCC[NH+]1CCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000355232210 375783545 /nfs/dbraw/zinc/78/35/45/375783545.db2.gz QQKUKJNBQHLAQJ-UHFFFAOYSA-N 1 0 288.307 1.512 20 5 CDBDRO [NH3+]CC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(F)(F)F ZINC000307819934 375797767 /nfs/dbraw/zinc/79/77/67/375797767.db2.gz OBZFGGAQJBLFFA-LURJTMIESA-N 1 0 281.190 1.197 20 5 CDBDRO CC(C)[NH+](CCN(C)CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000356345973 375835289 /nfs/dbraw/zinc/83/52/89/375835289.db2.gz MJVNJDRLJLGGOH-UHFFFAOYSA-N 1 0 297.403 1.842 20 5 CDBDRO CCC[NH+]1CCC(N(C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000356866495 375864493 /nfs/dbraw/zinc/86/44/93/375864493.db2.gz UKTRJOHQZDEOPA-UHFFFAOYSA-N 1 0 295.387 1.635 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000261570810 190041225 /nfs/dbraw/zinc/04/12/25/190041225.db2.gz KPHLEQCSVXALGZ-QMMMGPOBSA-N 1 0 251.286 1.241 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134270036 375945891 /nfs/dbraw/zinc/94/58/91/375945891.db2.gz LAOOPKCRRCCOKB-SECBINFHSA-N 1 0 281.287 1.415 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000261994602 190046475 /nfs/dbraw/zinc/04/64/75/190046475.db2.gz AGFKAEHWPKDJFF-JTQLQIEISA-N 1 0 292.339 1.249 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000262279826 190052076 /nfs/dbraw/zinc/05/20/76/190052076.db2.gz WYQRFPOFBCPRSI-ZANVPECISA-N 1 0 292.339 1.424 20 5 CDBDRO CCc1n[nH]c(C(=O)N2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000171807686 377056178 /nfs/dbraw/zinc/05/61/78/377056178.db2.gz WLEVBHGMRSVVKK-VIFPVBQESA-N 1 0 295.343 1.047 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000264848565 190139129 /nfs/dbraw/zinc/13/91/29/190139129.db2.gz BPVMKXPEYFQQFB-VIIAAUOXSA-N 1 0 289.335 1.818 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000189300764 377227550 /nfs/dbraw/zinc/22/75/50/377227550.db2.gz LRNMVFBQJNNGAR-PWSUYJOCSA-N 1 0 277.324 1.394 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000189312009 377228528 /nfs/dbraw/zinc/22/85/28/377228528.db2.gz NQXSBQABTLUBST-YYZHOMROSA-N 1 0 289.335 1.865 20 5 CDBDRO C[N@H+](CCNC(=O)NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000264866350 190140256 /nfs/dbraw/zinc/14/02/56/190140256.db2.gz OPZOHDLYBNZMKF-UHFFFAOYSA-N 1 0 292.339 1.488 20 5 CDBDRO COC[C@@](C)([NH3+])CNc1ccc([N+](=O)[O-])cc1F ZINC000265028220 190153032 /nfs/dbraw/zinc/15/30/32/190153032.db2.gz KJUWFJCRIZMXNL-NSHDSACASA-N 1 0 257.265 1.510 20 5 CDBDRO C[NH+](C)C1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000345293642 377789192 /nfs/dbraw/zinc/78/91/92/377789192.db2.gz JVNTZNZFQANFHB-UHFFFAOYSA-N 1 0 288.307 1.462 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000441625553 249894126 /nfs/dbraw/zinc/89/41/26/249894126.db2.gz YTHJDRINOHIKAQ-ZETCQYMHSA-N 1 0 255.249 1.059 20 5 CDBDRO Cc1sc(C(=O)NCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000444261772 250110415 /nfs/dbraw/zinc/11/04/15/250110415.db2.gz ZSWOASHLHISYMW-SECBINFHSA-N 1 0 283.353 1.837 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]CC[C@@H]3CCOC3)nc2c1 ZINC000446845735 250319086 /nfs/dbraw/zinc/31/90/86/250319086.db2.gz QHBCOIOYFDUURQ-SNVBAGLBSA-N 1 0 290.323 1.987 20 5 CDBDRO C[N@@H+](Cc1cccs1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266421747 190256455 /nfs/dbraw/zinc/25/64/55/190256455.db2.gz ITSUEIXAMPRCDF-LLVKDONJSA-N 1 0 296.352 1.346 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000041028378 379245951 /nfs/dbraw/zinc/24/59/51/379245951.db2.gz FZYSIYAJIIZLNO-LLVKDONJSA-N 1 0 263.297 1.087 20 5 CDBDRO Cc1cc(NC[C@@H](O)C[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000173913543 379342066 /nfs/dbraw/zinc/34/20/66/379342066.db2.gz TZOMDLRSAIAAGU-GFCCVEGCSA-N 1 0 294.355 1.557 20 5 CDBDRO COC[C@@H](CCO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449155805 250723675 /nfs/dbraw/zinc/72/36/75/250723675.db2.gz MGJAHYHRTOYBMZ-DGCLKSJQSA-N 1 0 282.340 1.513 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000450669097 251396586 /nfs/dbraw/zinc/39/65/86/251396586.db2.gz BAOAZLXAULWACI-JIMOISOXSA-N 1 0 266.297 1.659 20 5 CDBDRO C[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000453405856 252312674 /nfs/dbraw/zinc/31/26/74/252312674.db2.gz QPPJBKNLGSAHDS-YGRLFVJLSA-N 1 0 277.324 1.914 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459775791 252777883 /nfs/dbraw/zinc/77/78/83/252777883.db2.gz KNFQAQLDEZJKJE-KXUCPTDWSA-N 1 0 250.302 1.607 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261780818 285095948 /nfs/dbraw/zinc/09/59/48/285095948.db2.gz WVXCZSTVOOFWND-LBPRGKRZSA-N 1 0 294.330 1.218 20 5 CDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCC[NH+]1CCC1 ZINC000492240962 253181137 /nfs/dbraw/zinc/18/11/37/253181137.db2.gz ZBXDNTSNJZBQJY-WAYWQWQTSA-N 1 0 275.308 1.430 20 5 CDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000493240213 253408235 /nfs/dbraw/zinc/40/82/35/253408235.db2.gz OEASLOLXHNMYIA-UWNVNSGJSA-N 1 0 291.282 1.081 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000261581013 285156369 /nfs/dbraw/zinc/15/63/69/285156369.db2.gz QHGMEETWBZQCFW-DTORHVGOSA-N 1 0 251.261 1.390 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@H](C[NH+]3CCCC3)C2)nc1 ZINC000273593979 285176995 /nfs/dbraw/zinc/17/69/95/285176995.db2.gz HXQNFODYNAUUOA-LLVKDONJSA-N 1 0 277.328 1.307 20 5 CDBDRO CO[C@@H](C)C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000285903722 390186407 /nfs/dbraw/zinc/18/64/07/390186407.db2.gz ZWCGUHVTOHAMOK-NSHDSACASA-N 1 0 268.313 1.940 20 5 CDBDRO C[NH+](C)C1CN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000134987870 390415405 /nfs/dbraw/zinc/41/54/05/390415405.db2.gz XIJYYZQYSQJSFR-UHFFFAOYSA-N 1 0 255.299 1.042 20 5 CDBDRO CCOc1cccc(N2C[C@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000135056760 390485395 /nfs/dbraw/zinc/48/53/95/390485395.db2.gz NWMHCARWBLZQQG-PHIMTYICSA-N 1 0 277.324 1.649 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000261818524 390487554 /nfs/dbraw/zinc/48/75/54/390487554.db2.gz SYIGODPKWZCJQC-QMMMGPOBSA-N 1 0 293.352 1.788 20 5 CDBDRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000288514179 390683461 /nfs/dbraw/zinc/68/34/61/390683461.db2.gz IZULWWYCVUOSMO-JOYOIKCWSA-N 1 0 284.337 1.118 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000262826385 390943240 /nfs/dbraw/zinc/94/32/40/390943240.db2.gz UBXCPCZQTHICPH-ZJUUUORDSA-N 1 0 263.297 1.417 20 5 CDBDRO COc1ccc(NC(=O)NC[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000415441163 391139174 /nfs/dbraw/zinc/13/91/74/391139174.db2.gz OUEKUGFNPOEUPW-MRVPVSSYSA-N 1 0 282.300 1.320 20 5 CDBDRO [NH3+]C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CCCO1 ZINC000415116538 391259969 /nfs/dbraw/zinc/25/99/69/391259969.db2.gz VYKILSYZPBDJGP-JHAQOBCDSA-N 1 0 291.351 1.658 20 5 CDBDRO CC(C)c1ccc(CN(C)C[C@@H](O)C[NH3+])cc1[N+](=O)[O-] ZINC000415053768 391253286 /nfs/dbraw/zinc/25/32/86/391253286.db2.gz KPAPSDUXTNWXQZ-LBPRGKRZSA-N 1 0 281.356 1.470 20 5 CDBDRO CC1(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)COC1 ZINC000440488309 391394832 /nfs/dbraw/zinc/39/48/32/391394832.db2.gz ODWPDNXKGUCONN-LLVKDONJSA-N 1 0 292.339 1.513 20 5 CDBDRO C[NH2+]CCCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000415485271 391466303 /nfs/dbraw/zinc/46/63/03/391466303.db2.gz PHPZPQUKJLIXOO-UHFFFAOYSA-N 1 0 280.328 1.943 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000567915735 391547437 /nfs/dbraw/zinc/54/74/37/391547437.db2.gz KPMORLDZCOOMQB-DTWKUNHWSA-N 1 0 278.312 1.047 20 5 CDBDRO COc1ccc(C[NH2+]CCC(C)(C)O)cc1[N+](=O)[O-] ZINC000274742814 533661313 /nfs/dbraw/zinc/66/13/13/533661313.db2.gz KMUDUVFBJZOLGP-UHFFFAOYSA-N 1 0 268.313 1.854 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000129145871 391637110 /nfs/dbraw/zinc/63/71/10/391637110.db2.gz XFUISRLVXLLZQS-ZYHUDNBSSA-N 1 0 279.340 1.915 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000129267955 391641831 /nfs/dbraw/zinc/64/18/31/391641831.db2.gz FDCCSJODTJJLNB-VKYBYORPSA-N 1 0 289.335 1.946 20 5 CDBDRO C[C@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000261821217 391709247 /nfs/dbraw/zinc/70/92/47/391709247.db2.gz OCZBDRNOGLHECE-GXSJLCMTSA-N 1 0 292.339 1.376 20 5 CDBDRO COc1cccc(NC[C@@](C)(O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000185623223 391738402 /nfs/dbraw/zinc/73/84/02/391738402.db2.gz PFBQFCVEDCOKAJ-CYBMUJFWSA-N 1 0 283.328 1.328 20 5 CDBDRO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304284004 130062991 /nfs/dbraw/zinc/06/29/91/130062991.db2.gz FFUOBTHFXTWIBW-WZRBSPASSA-N 1 0 282.344 1.130 20 5 CDBDRO Cc1c(C(=O)N(C)CC(C)(C)C[NH3+])cccc1[N+](=O)[O-] ZINC000093873495 392008552 /nfs/dbraw/zinc/00/85/52/392008552.db2.gz KTGWEMMRPOYEHV-UHFFFAOYSA-N 1 0 279.340 1.960 20 5 CDBDRO CC1(C)CCC[N@H+](CCNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000549753205 392612564 /nfs/dbraw/zinc/61/25/64/392612564.db2.gz QOBHSLJADAQOIQ-UHFFFAOYSA-N 1 0 295.343 1.170 20 5 CDBDRO Cc1sc(C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000266209848 131701056 /nfs/dbraw/zinc/70/10/56/131701056.db2.gz PVUQUVAVDYHTKB-KCJUWKMLSA-N 1 0 297.380 1.987 20 5 CDBDRO O=C(NCCC[NH2+]C1CCCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000419929095 392897390 /nfs/dbraw/zinc/89/73/90/392897390.db2.gz ZQBAEURRCFHRJN-UHFFFAOYSA-N 1 0 295.343 1.360 20 5 CDBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000194697896 392868426 /nfs/dbraw/zinc/86/84/26/392868426.db2.gz DFGXIQJIPSYYGL-UHFFFAOYSA-N 1 0 293.323 1.792 20 5 CDBDRO Cc1cnc(NCCN2CCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000525190770 392922662 /nfs/dbraw/zinc/92/26/62/392922662.db2.gz AOCIQEJRTLTREW-LLVKDONJSA-N 1 0 280.328 1.431 20 5 CDBDRO CC(=O)N[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000420992844 392924123 /nfs/dbraw/zinc/92/41/23/392924123.db2.gz YPWHBDOWMNTYJS-ZDUSSCGKSA-N 1 0 277.324 1.348 20 5 CDBDRO CC[C@@H](NCC[NH2+]CCOC)c1cccc([N+](=O)[O-])c1 ZINC000423314436 392959995 /nfs/dbraw/zinc/95/99/95/392959995.db2.gz HERXCWSUJKCCBY-CQSZACIVSA-N 1 0 281.356 1.872 20 5 CDBDRO CC[C@@H](O)C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000422093498 392954179 /nfs/dbraw/zinc/95/41/79/392954179.db2.gz YXRVLIDKACNVHR-SECBINFHSA-N 1 0 270.285 1.170 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000423542691 392964467 /nfs/dbraw/zinc/96/44/67/392964467.db2.gz BLMSOSDMQOGLKZ-LBPRGKRZSA-N 1 0 291.351 1.859 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1CO ZINC000430201763 393090590 /nfs/dbraw/zinc/09/05/90/393090590.db2.gz BEKJMEXHKNWQFA-CYBMUJFWSA-N 1 0 280.324 1.950 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)C1CCC1 ZINC000430194250 393090686 /nfs/dbraw/zinc/09/06/86/393090686.db2.gz INYNTJVARISNQL-UHFFFAOYSA-N 1 0 280.324 1.950 20 5 CDBDRO C[NH2+][C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000430636857 393102414 /nfs/dbraw/zinc/10/24/14/393102414.db2.gz KCSAIHMDKVTMBH-LLVKDONJSA-N 1 0 265.313 1.267 20 5 CDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC([NH3+])CC1 ZINC000430672183 393105432 /nfs/dbraw/zinc/10/54/32/393105432.db2.gz ZCBLLGUGMJFPGR-JTQLQIEISA-N 1 0 292.339 1.345 20 5 CDBDRO [NH3+]CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000195119762 393066019 /nfs/dbraw/zinc/06/60/19/393066019.db2.gz UVEZEXNIMUTNEX-UHFFFAOYSA-N 1 0 265.294 1.498 20 5 CDBDRO CCn1cnnc1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449081294 393130079 /nfs/dbraw/zinc/13/00/79/393130079.db2.gz DFRLQGILACUEOA-LLVKDONJSA-N 1 0 289.339 1.927 20 5 CDBDRO Cc1c(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cccc1[N+](=O)[O-] ZINC000449656089 393137223 /nfs/dbraw/zinc/13/72/23/393137223.db2.gz JDHSYEYPJFNFPP-LLVKDONJSA-N 1 0 299.277 1.630 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000132027223 393211048 /nfs/dbraw/zinc/21/10/48/393211048.db2.gz NVYWJYDYJKWLOK-ZFAUCMQBSA-N 1 0 289.335 1.804 20 5 CDBDRO C[C@H](O)C[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000275462804 135107788 /nfs/dbraw/zinc/10/77/88/135107788.db2.gz ZAAPOOYVUNWFPV-NEPJUHHUSA-N 1 0 279.340 1.486 20 5 CDBDRO CNC(=O)c1ccc(NCC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000212640931 140159498 /nfs/dbraw/zinc/15/94/98/140159498.db2.gz VQZVQWAKOBMHFO-JTQLQIEISA-N 1 0 292.339 1.366 20 5 CDBDRO COC1CC([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000221204504 140169071 /nfs/dbraw/zinc/16/90/71/140169071.db2.gz QUSMPCRPUJUUEN-UHFFFAOYSA-N 1 0 250.298 1.904 20 5 CDBDRO Cc1c(CNC(=O)[C@@H](C[NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000231856503 140219445 /nfs/dbraw/zinc/21/94/45/140219445.db2.gz KBPGZUVJTGVFSL-LBPRGKRZSA-N 1 0 279.340 1.750 20 5 CDBDRO C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251912937 140315591 /nfs/dbraw/zinc/31/55/91/140315591.db2.gz XHOJSXJWOFHAKM-GHMZBOCLSA-N 1 0 292.339 1.202 20 5 CDBDRO Cn1c(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1[N+](=O)[O-] ZINC000252843603 140326450 /nfs/dbraw/zinc/32/64/50/140326450.db2.gz DEGYVBRHUGDKPF-GARJFASQSA-N 1 0 292.339 1.133 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]([NH2+]C)C1 ZINC000261586073 140356361 /nfs/dbraw/zinc/35/63/61/140356361.db2.gz ISOSVUMPMOHQOU-SNVBAGLBSA-N 1 0 267.333 1.308 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000261592834 140358933 /nfs/dbraw/zinc/35/89/33/140358933.db2.gz YTFNXDUMXKHLQA-DTWKUNHWSA-N 1 0 253.277 1.907 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[C@H]1CCC[NH2+]C1 ZINC000261728121 140381440 /nfs/dbraw/zinc/38/14/40/140381440.db2.gz KWHINZNXYFQBGT-LLVKDONJSA-N 1 0 281.360 1.921 20 5 CDBDRO Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000044542049 292051453 /nfs/dbraw/zinc/05/14/53/292051453.db2.gz AZJQCFSBGBOHLD-GFCCVEGCSA-N 1 0 277.324 1.857 20 5 CDBDRO CCCC[N@H+](C)CCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000352386688 155151646 /nfs/dbraw/zinc/15/16/46/155151646.db2.gz DWIYBNYTWQWXON-UHFFFAOYSA-N 1 0 283.332 1.088 20 5 CDBDRO C[C@@]1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000128859551 147606239 /nfs/dbraw/zinc/60/62/39/147606239.db2.gz LPOZXARIIFCJKR-CQSZACIVSA-N 1 0 295.314 1.853 20 5 CDBDRO NC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182132063 148243077 /nfs/dbraw/zinc/24/30/77/148243077.db2.gz UGTVUUYXFJEVOA-SECBINFHSA-N 1 0 283.715 1.555 20 5 CDBDRO CCc1ccc(C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261996194 148993974 /nfs/dbraw/zinc/99/39/74/148993974.db2.gz NDZUMLWUIDIPDF-HNNXBMFYSA-N 1 0 291.351 1.968 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000262471628 149067078 /nfs/dbraw/zinc/06/70/78/149067078.db2.gz PCTXONYIDMJRCZ-SSDOTTSWSA-N 1 0 257.315 1.384 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000310788739 149201789 /nfs/dbraw/zinc/20/17/89/149201789.db2.gz UDJQHMDMRXIBAV-ZETCQYMHSA-N 1 0 271.704 1.715 20 5 CDBDRO C[C@H](CC(N)=O)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000343124220 152041638 /nfs/dbraw/zinc/04/16/38/152041638.db2.gz ZDRKDGSYUHLYQE-WDEREUQCSA-N 1 0 279.340 1.769 20 5 CDBDRO COc1cc(C[N@H+](C)[C@@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000352668689 155342450 /nfs/dbraw/zinc/34/24/50/155342450.db2.gz UIPODEHRWMTIAT-DGCLKSJQSA-N 1 0 280.324 1.949 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000344035332 152398104 /nfs/dbraw/zinc/39/81/04/152398104.db2.gz RQTHRSFYZGEZFK-GLQYFDAESA-N 1 0 292.335 1.676 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H]1C ZINC000345980501 153016036 /nfs/dbraw/zinc/01/60/36/153016036.db2.gz LCEJUWGKYOCUMJ-UWVGGRQHSA-N 1 0 280.328 1.478 20 5 CDBDRO CC[NH+](CC)CCOCCNc1ncc([N+](=O)[O-])cc1C ZINC000347860042 153692573 /nfs/dbraw/zinc/69/25/73/153692573.db2.gz RKWUQNFMJCLVQL-UHFFFAOYSA-N 1 0 296.371 1.490 20 5 CDBDRO CC[N@H+](C[C@@H](C)O)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000352195232 155013977 /nfs/dbraw/zinc/01/39/77/155013977.db2.gz PDCFELHVACRUQZ-DGCLKSJQSA-N 1 0 298.339 1.037 20 5 CDBDRO COc1ccc(C[N@H+](C)[C@]2(CO)CCOC2)cc1[N+](=O)[O-] ZINC000359599351 158303943 /nfs/dbraw/zinc/30/39/43/158303943.db2.gz LNHFOWPVQQQRNP-AWEZNQCLSA-N 1 0 296.323 1.187 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1CO ZINC000362073426 159060314 /nfs/dbraw/zinc/06/03/14/159060314.db2.gz WKUFJKZGZKNLGZ-NXEZZACHSA-N 1 0 291.307 1.796 20 5 CDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000368622962 159686741 /nfs/dbraw/zinc/68/67/41/159686741.db2.gz ITBRJQLRRXWJIQ-JSGCOSHPSA-N 1 0 293.371 1.350 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000163502331 292421283 /nfs/dbraw/zinc/42/12/83/292421283.db2.gz KNGFKMCJWJJONW-CMPLNLGQSA-N 1 0 291.351 1.960 20 5 CDBDRO C[C@H]1CC[C@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)O1 ZINC000373221775 160183097 /nfs/dbraw/zinc/18/30/97/160183097.db2.gz VBYDGXLFCOXCRA-WCQYABFASA-N 1 0 294.355 1.996 20 5 CDBDRO C[C@@H](O)CCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284931148 196160008 /nfs/dbraw/zinc/16/00/08/196160008.db2.gz DLTRNBVWXULFIV-NXEZZACHSA-N 1 0 267.329 1.989 20 5 CDBDRO Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000038049564 174060584 /nfs/dbraw/zinc/06/05/84/174060584.db2.gz XTABPMGOIUBWQJ-VXGBXAGGSA-N 1 0 277.324 1.903 20 5 CDBDRO COCCOCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000044424317 175174291 /nfs/dbraw/zinc/17/42/91/175174291.db2.gz BBARQQLXKAAIAF-UHFFFAOYSA-N 1 0 254.286 1.347 20 5 CDBDRO Cc1ccc(C(=O)NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000044492020 175181000 /nfs/dbraw/zinc/18/10/00/175181000.db2.gz RNBUJZNYVIRXJK-LBPRGKRZSA-N 1 0 277.324 1.775 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1F ZINC000044501410 175185858 /nfs/dbraw/zinc/18/58/58/175185858.db2.gz LYCZTPYTKZHEJP-SECBINFHSA-N 1 0 281.287 1.463 20 5 CDBDRO COc1ccc(CN2CCCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000313331458 260284347 /nfs/dbraw/zinc/28/43/47/260284347.db2.gz BQGGRUUKZUTMMW-GFCCVEGCSA-N 1 0 295.339 1.153 20 5 CDBDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000219070285 274184229 /nfs/dbraw/zinc/18/42/29/274184229.db2.gz HQLMGGWYMUQMKO-JOYOIKCWSA-N 1 0 270.354 1.797 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000518939648 265236853 /nfs/dbraw/zinc/23/68/53/265236853.db2.gz PYHQLLBDYLOBIX-SNVBAGLBSA-N 1 0 296.327 1.010 20 5 CDBDRO [NH3+][C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000399156401 270368421 /nfs/dbraw/zinc/36/84/21/270368421.db2.gz BIYYWTXXWNWOAK-GFCCVEGCSA-N 1 0 263.297 1.338 20 5 CDBDRO Cc1nc(N2CCC[C@H]2C[NH+](C)C)ncc1[N+](=O)[O-] ZINC000297369345 274841311 /nfs/dbraw/zinc/84/13/11/274841311.db2.gz CQTVLMBERWGLRF-JTQLQIEISA-N 1 0 265.317 1.224 20 5 CDBDRO O=[N+]([O-])c1c(N[C@@H]2CC[NH2+]C2)nc2sccn21 ZINC000052093852 275032763 /nfs/dbraw/zinc/03/27/63/275032763.db2.gz ILYSCPMHUGVFFQ-ZCFIWIBFSA-N 1 0 253.287 1.078 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000158423417 275041504 /nfs/dbraw/zinc/04/15/04/275041504.db2.gz XKBRWLFXJDZZKR-VHSXEESVSA-N 1 0 263.301 1.424 20 5 CDBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCNC1=O ZINC000282462051 276134353 /nfs/dbraw/zinc/13/43/53/276134353.db2.gz UAARMJBQEUOAOY-ZDUSSCGKSA-N 1 0 277.324 1.348 20 5 CDBDRO C[NH+](C)C/C=C\C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000491887639 276764719 /nfs/dbraw/zinc/76/47/19/276764719.db2.gz ALHCKDQCTRECDE-YVMONPNESA-N 1 0 263.297 1.329 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])s3)CC[C@H]21 ZINC000249282840 277085093 /nfs/dbraw/zinc/08/50/93/277085093.db2.gz NHCKMWPNOUVQQO-VHSXEESVSA-N 1 0 282.369 1.972 20 5 CDBDRO C[N@@H+]1CC[C@]2(CCN(c3ncc([N+](=O)[O-])s3)C2)C1 ZINC000368299024 277186591 /nfs/dbraw/zinc/18/65/91/277186591.db2.gz LQTLYZXONBQYBL-NSHDSACASA-N 1 0 268.342 1.583 20 5 CDBDRO COC[C@H](O)CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000231607533 277264012 /nfs/dbraw/zinc/26/40/12/277264012.db2.gz KFNCOZVVSJJHLN-LLVKDONJSA-N 1 0 288.731 1.735 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000423517915 277270230 /nfs/dbraw/zinc/27/02/30/277270230.db2.gz OLMGYJZNKHMPHS-UHFFFAOYSA-N 1 0 265.313 1.503 20 5 CDBDRO COc1cc(N2CC[NH2+]C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000261985930 277826315 /nfs/dbraw/zinc/82/63/15/277826315.db2.gz ONBAOACZNKWBCZ-MRVPVSSYSA-N 1 0 269.276 1.541 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CC[NH2+]C(C)(C)C2)c1 ZINC000212726064 277937853 /nfs/dbraw/zinc/93/78/53/277937853.db2.gz FLXYIKKFASLQBE-UHFFFAOYSA-N 1 0 265.313 1.792 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000237416751 278246226 /nfs/dbraw/zinc/24/62/26/278246226.db2.gz HLFOHVCTBFAYGL-JTQLQIEISA-N 1 0 280.328 1.202 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000063192947 278316713 /nfs/dbraw/zinc/31/67/13/278316713.db2.gz GYSGZZJKBBWIHO-PSASIEDQSA-N 1 0 266.301 1.265 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000104261092 279295547 /nfs/dbraw/zinc/29/55/47/279295547.db2.gz MFXDACPKZSUQQN-QDZRJHCZSA-N 1 0 275.308 1.558 20 5 CDBDRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000108336872 279305327 /nfs/dbraw/zinc/30/53/27/279305327.db2.gz CXDGSZCGDDODLK-GFCCVEGCSA-N 1 0 291.351 1.975 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000108337979 279305550 /nfs/dbraw/zinc/30/55/50/279305550.db2.gz OSTRVTAFUWCLPY-NSHDSACASA-N 1 0 277.324 1.666 20 5 CDBDRO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CCN1CCCC1=O ZINC000112703578 279331277 /nfs/dbraw/zinc/33/12/77/279331277.db2.gz ZOYLRPRGQWAQCU-UHFFFAOYSA-N 1 0 291.351 1.692 20 5 CDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)C[NH+]1CCCC1 ZINC000299040295 279345262 /nfs/dbraw/zinc/34/52/62/279345262.db2.gz JRWDDDDKAFEAGD-SNVBAGLBSA-N 1 0 280.328 1.385 20 5 CDBDRO CC[NH2+]CC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000131592156 279498346 /nfs/dbraw/zinc/49/83/46/279498346.db2.gz OHTGDGFDEVQYJR-UHFFFAOYSA-N 1 0 264.329 1.816 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+](C)C ZINC000127761036 279542169 /nfs/dbraw/zinc/54/21/69/279542169.db2.gz GXVGPLVZZYEQTP-UHFFFAOYSA-N 1 0 265.313 1.585 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000129252195 279594805 /nfs/dbraw/zinc/59/48/05/279594805.db2.gz LCYFVMVBODVVAO-QJSMKMSWSA-N 1 0 289.335 1.946 20 5 CDBDRO C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000163525693 279699790 /nfs/dbraw/zinc/69/97/90/279699790.db2.gz UUEBVOLALIEWMB-AAEUAGOBSA-N 1 0 291.351 1.581 20 5 CDBDRO C[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000235617152 279714663 /nfs/dbraw/zinc/71/46/63/279714663.db2.gz YEFKFBQTUGDNIR-WCBMZHEXSA-N 1 0 283.353 1.856 20 5 CDBDRO [NH3+]CC1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000217482084 280088917 /nfs/dbraw/zinc/08/89/17/280088917.db2.gz DPYHXXOHXYKVDB-WAYWQWQTSA-N 1 0 289.335 1.805 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000228086006 281014768 /nfs/dbraw/zinc/01/47/68/281014768.db2.gz XJZJWXMDNNLPRD-ZJUUUORDSA-N 1 0 250.302 1.472 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255073140 289354528 /nfs/dbraw/zinc/35/45/28/289354528.db2.gz VOQSMUHEIQMCJM-GQYWMQPJSA-N 1 0 263.297 1.414 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000565004872 293487491 /nfs/dbraw/zinc/48/74/91/293487491.db2.gz QRFGHQRYTMYELC-NXEZZACHSA-N 1 0 297.380 1.929 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000574453031 295002521 /nfs/dbraw/zinc/00/25/21/295002521.db2.gz SMUDLWYGBADJDC-PHIMTYICSA-N 1 0 263.297 1.291 20 5 CDBDRO CC(=O)NCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574926865 295078572 /nfs/dbraw/zinc/07/85/72/295078572.db2.gz PHQNNYSIIHQPMM-CYBMUJFWSA-N 1 0 277.324 1.698 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000129347136 295318350 /nfs/dbraw/zinc/31/83/50/295318350.db2.gz USUUWMZUMLLXAF-SSDOTTSWSA-N 1 0 269.688 1.421 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000050228724 295340345 /nfs/dbraw/zinc/34/03/45/295340345.db2.gz UBNAXULJVKUNFR-QMMMGPOBSA-N 1 0 269.688 1.421 20 5 CDBDRO CNC(=O)C(C)(C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566474366 316606896 /nfs/dbraw/zinc/60/68/96/316606896.db2.gz HAPWBHBWHIZPJE-GFCCVEGCSA-N 1 0 291.351 1.944 20 5 CDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCn2cnc([N+](=O)[O-])c2)C1 ZINC000569500837 316795088 /nfs/dbraw/zinc/79/50/88/316795088.db2.gz BKRKLZXRHWXPGS-GHMZBOCLSA-N 1 0 252.318 1.769 20 5 CDBDRO CO[C@@H]1COC[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000576702922 317190472 /nfs/dbraw/zinc/19/04/72/317190472.db2.gz CYCQSELNVXDRBJ-RBSFLKMASA-N 1 0 292.335 1.976 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000577073198 317261113 /nfs/dbraw/zinc/26/11/13/317261113.db2.gz MMAQFIQKOHAHGG-VXGBXAGGSA-N 1 0 279.340 1.785 20 5 CDBDRO [NH3+][C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000577163561 317276222 /nfs/dbraw/zinc/27/62/22/317276222.db2.gz AZNFDGTUIVBGKB-LBPRGKRZSA-N 1 0 278.312 1.131 20 5 CDBDRO [NH3+]CC[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)F ZINC000383336905 323663583 /nfs/dbraw/zinc/66/35/83/323663583.db2.gz WXCMQZOQWTYZEM-SECBINFHSA-N 1 0 288.254 1.699 20 5 CDBDRO Cc1c(CNC(=O)N2CC[NH2+][C@H](C)C2)cccc1[N+](=O)[O-] ZINC000418075769 533854512 /nfs/dbraw/zinc/85/45/12/533854512.db2.gz FMKQHDUAANEXHA-SNVBAGLBSA-N 1 0 292.339 1.407 20 5 CDBDRO CCCCOC1C[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169030410 1161998355 /nfs/dbraw/zinc/99/83/55/1161998355.db2.gz ZQSKLFICBWGTIV-VXGBXAGGSA-N 1 0 256.346 1.933 20 5 CDBDRO NC(=O)C1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCCCC1 ZINC001168967576 1161995972 /nfs/dbraw/zinc/99/59/72/1161995972.db2.gz QYKLSYULCLZQRJ-VXGBXAGGSA-N 1 0 283.372 1.600 20 5 CDBDRO CCOC(=O)N1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168967901 1161996461 /nfs/dbraw/zinc/99/64/61/1161996461.db2.gz UKPZVGUECMOGGJ-WCQYABFASA-N 1 0 299.371 1.642 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1c1cc(OC)c([N+](=O)[O-])cc1F ZINC000227861012 522052180 /nfs/dbraw/zinc/05/21/80/522052180.db2.gz FMGJENVTMDBQOH-VIFPVBQESA-N 1 0 283.303 1.931 20 5 CDBDRO COCCN(C)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000061375953 523610719 /nfs/dbraw/zinc/61/07/19/523610719.db2.gz KOMGKJMAQOEFOM-GFCCVEGCSA-N 1 0 281.356 1.824 20 5 CDBDRO COc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000234914766 523670325 /nfs/dbraw/zinc/67/03/25/523670325.db2.gz QTDQGHMDLKUBND-SCZZXKLOSA-N 1 0 279.296 1.023 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(NCC2([NH3+])CCC2)c1 ZINC000234948395 525450239 /nfs/dbraw/zinc/45/02/39/525450239.db2.gz HIESEEQPAWPWIR-UHFFFAOYSA-N 1 0 251.286 1.897 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000221453634 526718397 /nfs/dbraw/zinc/71/83/97/526718397.db2.gz VOTBFLDKOYDPSY-DTWKUNHWSA-N 1 0 281.337 1.480 20 5 CDBDRO CC(C)[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304289359 535175897 /nfs/dbraw/zinc/17/58/97/535175897.db2.gz BQTXWKJPFQREOY-ZIAGYGMSSA-N 1 0 296.371 1.663 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](C)[NH3+])c1 ZINC000423676304 535428405 /nfs/dbraw/zinc/42/84/05/535428405.db2.gz IRKMGOJXVOVUNF-DTWKUNHWSA-N 1 0 281.312 1.459 20 5 CDBDRO CCOc1ccc(C(=O)N2CC[C@H]([NH2+]C)C2)cc1[N+](=O)[O-] ZINC000428420752 535701316 /nfs/dbraw/zinc/70/13/16/535701316.db2.gz IOIXZFWXRIZBFR-NSHDSACASA-N 1 0 293.323 1.427 20 5 CDBDRO C[NH+](C)C[C@@H](O)CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000731208398 575037990 /nfs/dbraw/zinc/03/79/90/575037990.db2.gz FMVIRPQPYNMDAC-VIFPVBQESA-N 1 0 296.352 1.539 20 5 CDBDRO COC[C@@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761528138 576580801 /nfs/dbraw/zinc/58/08/01/576580801.db2.gz ZVYFBSCRQAPGJG-SNVBAGLBSA-N 1 0 288.731 1.735 20 5 CDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000742241384 576591564 /nfs/dbraw/zinc/59/15/64/576591564.db2.gz PIPADSBWOPYMNB-LBPRGKRZSA-N 1 0 291.351 1.738 20 5 CDBDRO COCCOC[C@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000742376793 576598967 /nfs/dbraw/zinc/59/89/67/576598967.db2.gz HJDCIQPXHHNZNM-NSHDSACASA-N 1 0 298.339 1.745 20 5 CDBDRO CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000750038206 576972929 /nfs/dbraw/zinc/97/29/29/576972929.db2.gz AEFVTHACGLIVIH-DOMZBBRYSA-N 1 0 294.351 1.987 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000892634438 617550191 /nfs/dbraw/zinc/55/01/91/617550191.db2.gz UXICRXXGZHVXCW-NSHDSACASA-N 1 0 279.344 1.250 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000892680464 617586216 /nfs/dbraw/zinc/58/62/16/617586216.db2.gz ZAXPOACNCBIQNG-NSHDSACASA-N 1 0 290.323 1.449 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NCC[N@H+](C)C1CCCC1 ZINC000892338896 617919307 /nfs/dbraw/zinc/91/93/07/617919307.db2.gz CUPFFDXNEIULHE-UHFFFAOYSA-N 1 0 267.333 1.615 20 5 CDBDRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000893007031 618052006 /nfs/dbraw/zinc/05/20/06/618052006.db2.gz FTKAHWIKHSNQMX-WUHRBBMRSA-N 1 0 283.372 1.373 20 5 CDBDRO CC(=O)OC[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000893067142 618118690 /nfs/dbraw/zinc/11/86/90/618118690.db2.gz LDXKKMHTMVGLOL-JTQLQIEISA-N 1 0 266.297 1.679 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](C)C1 ZINC000892421301 618177816 /nfs/dbraw/zinc/17/78/16/618177816.db2.gz IRCJOGKRUZSJJU-VIFPVBQESA-N 1 0 253.306 1.082 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NCC1([NH+](C)C)CC1 ZINC000894231963 618740271 /nfs/dbraw/zinc/74/02/71/618740271.db2.gz UBSVJTRYKOBQGJ-UHFFFAOYSA-N 1 0 266.301 1.505 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000036282176 621710494 /nfs/dbraw/zinc/71/04/94/621710494.db2.gz FDFXFONRVNNUBS-UHFFFAOYSA-N 1 0 285.731 1.978 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@]12CC[NH2+]C2 ZINC000900488075 623137951 /nfs/dbraw/zinc/13/79/51/623137951.db2.gz XIQOSJLRUUZPHG-CQSZACIVSA-N 1 0 290.323 1.955 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000911659826 629380474 /nfs/dbraw/zinc/38/04/74/629380474.db2.gz FHKGLIYXTDATJH-KGYLQXTDSA-N 1 0 275.308 1.258 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000913303628 630441461 /nfs/dbraw/zinc/44/14/61/630441461.db2.gz YYJOHZFAAYKBQN-LLVKDONJSA-N 1 0 296.327 1.209 20 5 CDBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@@H](O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170329769 1162338516 /nfs/dbraw/zinc/33/85/16/1162338516.db2.gz UCAOFXHAQCPGSH-LOWVWBTDSA-N 1 0 294.351 1.990 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2C[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170307836 1162340162 /nfs/dbraw/zinc/34/01/62/1162340162.db2.gz IRHUYVHCAFSGFQ-ZMLRMANQSA-N 1 0 280.324 1.647 20 5 CDBDRO CC[NH+](CC)CCn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829838004 1162512615 /nfs/dbraw/zinc/51/26/15/1162512615.db2.gz QAROYZFBWDAIGI-UHFFFAOYSA-N 1 0 257.250 1.041 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(NCC(C)(C)C[NH+](C)C)n1 ZINC001157941873 1162595175 /nfs/dbraw/zinc/59/51/75/1162595175.db2.gz FTLADUIJBCPGGZ-UHFFFAOYSA-N 1 0 267.333 1.693 20 5 CDBDRO CC(C)N(c1nc(Cl)ncc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC001158021744 1162681912 /nfs/dbraw/zinc/68/19/12/1162681912.db2.gz KKAABZCFCACAGG-MRVPVSSYSA-N 1 0 285.735 1.615 20 5 CDBDRO Cc1c(F)cnc(N[C@@H](C)[C@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001170564325 1162928386 /nfs/dbraw/zinc/92/83/86/1162928386.db2.gz PWPQHAQZMQHNCC-WCBMZHEXSA-N 1 0 284.291 1.226 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[N@@H+](C(C)C)[C@@H](C)C1 ZINC001158495162 1163106072 /nfs/dbraw/zinc/10/60/72/1163106072.db2.gz HTPTUQWQDUFFJB-NSHDSACASA-N 1 0 294.355 1.456 20 5 CDBDRO CCOc1cnc(-n2cc(C[NH3+])cn2)c([N+](=O)[O-])c1 ZINC001168257305 1160562878 /nfs/dbraw/zinc/56/28/78/1160562878.db2.gz RRDJFBLXKWZFFB-UHFFFAOYSA-N 1 0 263.257 1.033 20 5 CDBDRO O=C(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)NC1CCCCC1 ZINC001168966864 1161996156 /nfs/dbraw/zinc/99/61/56/1161996156.db2.gz LYOMDXBMHFUBLJ-AAEUAGOBSA-N 1 0 283.372 1.470 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H](CO)c2cccc(F)c2)C1 ZINC001168998652 1161996976 /nfs/dbraw/zinc/99/69/76/1161996976.db2.gz PKXAIWPDCHPHQW-ZLKJLUDKSA-N 1 0 282.315 1.894 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cn(CC3CC3)cn2)C1 ZINC001168998626 1161997109 /nfs/dbraw/zinc/99/71/09/1161997109.db2.gz PBKYSCPGUINJBL-STQMWFEESA-N 1 0 278.356 1.828 20 5 CDBDRO CCC1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001169000837 1161997491 /nfs/dbraw/zinc/99/74/91/1161997491.db2.gz YUJIARCETYFTAJ-VXGBXAGGSA-N 1 0 256.346 1.981 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001155522994 1167212127 /nfs/dbraw/zinc/21/21/27/1167212127.db2.gz MCBFDIKMXYTHOZ-HLUHBDAQSA-N 1 0 296.302 1.165 20 5 CDBDRO [NH3+]CCCC(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC001574276451 1170938800 /nfs/dbraw/zinc/93/88/00/1170938800.db2.gz UFVNDOQJJGOWIL-UHFFFAOYSA-N 1 0 274.280 1.820 20 5 CDBDRO O=C(NC1C[NH2+]C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001574311293 1170946088 /nfs/dbraw/zinc/94/60/88/1170946088.db2.gz GFMSYXNJOAJWOZ-UHFFFAOYSA-N 1 0 298.302 1.358 20 5 CDBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1NC ZINC001577309565 1171640537 /nfs/dbraw/zinc/64/05/37/1171640537.db2.gz XYAHSDLBFMSOKO-MNOVXSKESA-N 1 0 292.339 1.963 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001578687402 1171981376 /nfs/dbraw/zinc/98/13/76/1171981376.db2.gz LBMXQLCTVIVDOQ-UONOGXRCSA-N 1 0 291.351 1.766 20 5 CDBDRO COc1cc(CN2[C@H](C)C[NH2+]C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC001579148796 1172106819 /nfs/dbraw/zinc/10/68/19/1172106819.db2.gz CJIRCLAHCHIZOH-AOOOYVTPSA-N 1 0 297.330 1.925 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CC[N@H+](C)C2)c1 ZINC000312382374 1186697505 /nfs/dbraw/zinc/69/75/05/1186697505.db2.gz NJSBDMSYOFROKA-SNVBAGLBSA-N 1 0 280.280 1.464 20 5 CDBDRO CC(C)C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591137286 719331963 /nfs/dbraw/zinc/33/19/63/719331963.db2.gz NJBKWICNKWAWHZ-UHFFFAOYSA-N 1 0 282.319 1.907 20 5 CDBDRO CC(C)(CO)[C@@H]([NH2+]CC[N+](=O)[O-])c1cccs1 ZINC000930497582 726016351 /nfs/dbraw/zinc/01/63/51/726016351.db2.gz NEXOZHAUYIZHTD-JTQLQIEISA-N 1 0 258.343 1.674 20 5 CDBDRO CC[C@@H]([NH2+]C)c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000854153644 726020967 /nfs/dbraw/zinc/02/09/67/726020967.db2.gz RIQZSDXTNSVJDL-ZCFIWIBFSA-N 1 0 266.261 1.049 20 5 CDBDRO CN(C)C(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000131051692 726315981 /nfs/dbraw/zinc/31/59/81/726315981.db2.gz LZWVWEZHJQBCRS-UHFFFAOYSA-N 1 0 285.731 1.816 20 5 CDBDRO [NH3+][C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923281556 727085933 /nfs/dbraw/zinc/08/59/33/727085933.db2.gz MPSOECYFBJTGNE-DGCLKSJQSA-N 1 0 265.313 1.051 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000078617585 721886006 /nfs/dbraw/zinc/88/60/06/721886006.db2.gz NVVHZKJSXDDLJQ-LLVKDONJSA-N 1 0 264.329 1.829 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001165035492 721888537 /nfs/dbraw/zinc/88/85/37/721888537.db2.gz NMECHAAXVIVXDO-VIFPVBQESA-N 1 0 295.299 1.428 20 5 CDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000928555553 726012596 /nfs/dbraw/zinc/01/25/96/726012596.db2.gz UCJRGFPVHVEZLV-LLVKDONJSA-N 1 0 281.287 1.097 20 5 CDBDRO Cn1cc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c([N+](=O)[O-])n1 ZINC000886816175 726017711 /nfs/dbraw/zinc/01/77/11/726017711.db2.gz OUPGDPDUNYIFKK-JQWIXIFHSA-N 1 0 280.328 1.329 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H](CO)C1CCC1 ZINC000886274662 726023644 /nfs/dbraw/zinc/02/36/44/726023644.db2.gz YGIANHAAPWNGHP-NSHDSACASA-N 1 0 251.286 1.240 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000882960802 726024145 /nfs/dbraw/zinc/02/41/45/726024145.db2.gz WPVVAEDVGACHJF-SECBINFHSA-N 1 0 276.300 1.144 20 5 CDBDRO O=[N+]([O-])c1c(F)nccc1NC[C@H]1CCC[N@H+]1CCCO ZINC000882409954 726064640 /nfs/dbraw/zinc/06/46/40/726064640.db2.gz SQTWZIQDJIZWQP-SNVBAGLBSA-N 1 0 298.318 1.388 20 5 CDBDRO COC(=O)N(C)CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000850389698 726156222 /nfs/dbraw/zinc/15/62/22/726156222.db2.gz DZUBRVFTEIBKQB-ALCCZGGFSA-N 1 0 293.323 1.896 20 5 CDBDRO Cc1nn(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC000853576252 726219894 /nfs/dbraw/zinc/21/98/94/726219894.db2.gz OJAPRXREZRCYEQ-GHMZBOCLSA-N 1 0 287.323 1.947 20 5 CDBDRO O=[N+]([O-])c1ncccc1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252890880 726301911 /nfs/dbraw/zinc/30/19/11/726301911.db2.gz IRLPPLVZJJZTDZ-QWRGUYRKSA-N 1 0 278.312 1.265 20 5 CDBDRO C[N@H+](CCO)CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000884823784 726326257 /nfs/dbraw/zinc/32/62/57/726326257.db2.gz DXSOZQLYMZPRDI-UHFFFAOYSA-N 1 0 290.323 1.479 20 5 CDBDRO CC1CC[NH+](CCn2nc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000829838405 726413464 /nfs/dbraw/zinc/41/34/64/726413464.db2.gz XHPISCCGDDOFSK-UHFFFAOYSA-N 1 0 283.288 1.431 20 5 CDBDRO CC[C@@H]1COCCN1CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000873189795 726828809 /nfs/dbraw/zinc/82/88/09/726828809.db2.gz YUVIWOCUWUIHJU-CQSZACIVSA-N 1 0 293.367 1.795 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000092627328 726832759 /nfs/dbraw/zinc/83/27/59/726832759.db2.gz OGSQUYLYUWHULS-NSHDSACASA-N 1 0 295.314 1.900 20 5 CDBDRO COC[C@@H](C)NC(=[NH2+])NCCNc1ccc([N+](=O)[O-])cc1 ZINC000848982793 726876674 /nfs/dbraw/zinc/87/66/74/726876674.db2.gz RWXJQKMNUOTHFM-SNVBAGLBSA-N 1 0 295.343 1.156 20 5 CDBDRO C[NH+](C)CCCOC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000791949786 726893662 /nfs/dbraw/zinc/89/36/62/726893662.db2.gz IKYSHKIBHFXFFM-UHFFFAOYSA-N 1 0 266.297 1.632 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCOC1 ZINC000866311905 726923670 /nfs/dbraw/zinc/92/36/70/726923670.db2.gz WWEGEZLPYNHABY-HZMBPMFUSA-N 1 0 298.314 1.406 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000925596658 726983542 /nfs/dbraw/zinc/98/35/42/726983542.db2.gz KSPGGWLGQNESFH-BXUZGUMPSA-N 1 0 279.340 1.704 20 5 CDBDRO CCC(C)(C)[NH+]1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000848495226 727021666 /nfs/dbraw/zinc/02/16/66/727021666.db2.gz BZPSPRJBCGUMMV-UHFFFAOYSA-N 1 0 281.360 1.555 20 5 CDBDRO COC[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1C)OC ZINC000300585119 727043112 /nfs/dbraw/zinc/04/31/12/727043112.db2.gz XSNFIXRBUJSNGR-LBPRGKRZSA-N 1 0 268.313 1.654 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)C[C@@H](C)[NH3+] ZINC000702075014 727096872 /nfs/dbraw/zinc/09/68/72/727096872.db2.gz LWPHAACFYCOTNM-SECBINFHSA-N 1 0 281.312 1.413 20 5 CDBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H](O)c2ccccn2)c1 ZINC000853104679 727123407 /nfs/dbraw/zinc/12/34/07/727123407.db2.gz WEDRPJDIBKRXBZ-HNNXBMFYSA-N 1 0 287.319 1.856 20 5 CDBDRO CC[NH2+][C@H](C)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000876905443 727187757 /nfs/dbraw/zinc/18/77/57/727187757.db2.gz TVRBBBNHXSHULU-SNVBAGLBSA-N 1 0 277.324 1.790 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000852920536 727316520 /nfs/dbraw/zinc/31/65/20/727316520.db2.gz VDZGMZUXZUENCX-SSDOTTSWSA-N 1 0 296.283 1.149 20 5 CDBDRO CCc1[nH]nc(C(=O)OCCC[NH+](CC)CC)c1[N+](=O)[O-] ZINC000800211608 727319438 /nfs/dbraw/zinc/31/94/38/727319438.db2.gz GZRMPYCLQKJFMK-UHFFFAOYSA-N 1 0 298.343 1.769 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)c1[N+](=O)[O-] ZINC000848940817 727320317 /nfs/dbraw/zinc/32/03/17/727320317.db2.gz WQFKXEQXMDRUNB-BXKDBHETSA-N 1 0 295.314 1.994 20 5 CDBDRO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)ncc1[N+](=O)[O-] ZINC000132499202 727340760 /nfs/dbraw/zinc/34/07/60/727340760.db2.gz VJPUPWXOUQORKN-MNOVXSKESA-N 1 0 262.313 1.629 20 5 CDBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886222703 727357109 /nfs/dbraw/zinc/35/71/09/727357109.db2.gz ADMLQLGIHUCRBL-NWDGAFQWSA-N 1 0 265.313 1.583 20 5 CDBDRO [NH3+][C@H](CC1CC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000884153914 727376419 /nfs/dbraw/zinc/37/64/19/727376419.db2.gz VIJFNRBZXCAIJG-GFCCVEGCSA-N 1 0 277.324 1.381 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923282003 727380956 /nfs/dbraw/zinc/38/09/56/727380956.db2.gz SQPXHLNLDDVGRT-UONOGXRCSA-N 1 0 279.340 1.441 20 5 CDBDRO NCC(F)(F)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841060353 727431531 /nfs/dbraw/zinc/43/15/31/727431531.db2.gz WPOSLZAMYWNEFP-UHFFFAOYSA-N 1 0 279.674 1.932 20 5 CDBDRO COC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000886114497 727435916 /nfs/dbraw/zinc/43/59/16/727435916.db2.gz QJQCFHKFMAAUQM-NSHDSACASA-N 1 0 251.286 1.504 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865527794 727440664 /nfs/dbraw/zinc/44/06/64/727440664.db2.gz LLZSCEFLUNDZCV-JTQLQIEISA-N 1 0 297.330 1.980 20 5 CDBDRO O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839679849 727446027 /nfs/dbraw/zinc/44/60/27/727446027.db2.gz JXFXAOUCXYAICU-CHWSQXEVSA-N 1 0 283.372 1.424 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@H]2C[C@H]([NH3+])C2(C)C)c1[N+](=O)[O-] ZINC000884355881 727805407 /nfs/dbraw/zinc/80/54/07/727805407.db2.gz TXCDNDWDMXGCAK-QWRGUYRKSA-N 1 0 295.314 1.898 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000818026784 727817323 /nfs/dbraw/zinc/81/73/23/727817323.db2.gz VHYMXJDADAYJEX-UHFFFAOYSA-N 1 0 295.314 1.900 20 5 CDBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC1(O)CCCC1 ZINC000776590218 727830227 /nfs/dbraw/zinc/83/02/27/727830227.db2.gz DEZFTZDLLACYRF-AWEZNQCLSA-N 1 0 294.351 1.865 20 5 CDBDRO O=C(NCC1CC[NH+](CCC2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001399676 727946355 /nfs/dbraw/zinc/94/63/55/727946355.db2.gz MMRMMECOPFBENV-ZIAGYGMSSA-N 1 0 295.383 1.280 20 5 CDBDRO COC1(C(=[NH2+])NOCc2onc(C)c2[N+](=O)[O-])CCCC1 ZINC000863477850 728003003 /nfs/dbraw/zinc/00/30/03/728003003.db2.gz YIMCEIWTTIYGFE-UHFFFAOYSA-N 1 0 298.299 1.849 20 5 CDBDRO C[C@H](NC(=O)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000823218323 728016908 /nfs/dbraw/zinc/01/69/08/728016908.db2.gz DWFOVKBDJXKKMR-NSHDSACASA-N 1 0 277.324 1.868 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000812344487 728056371 /nfs/dbraw/zinc/05/63/71/728056371.db2.gz VHZRTNKZNBJYNT-NEPJUHHUSA-N 1 0 289.335 1.619 20 5 CDBDRO COc1ccc(CC(=O)OCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000791837729 728080267 /nfs/dbraw/zinc/08/02/67/728080267.db2.gz DHZPVUBLHREMEM-UHFFFAOYSA-N 1 0 296.323 1.641 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261752340 728207371 /nfs/dbraw/zinc/20/73/71/728207371.db2.gz NCIZLKGZSRAPEE-MNOVXSKESA-N 1 0 279.344 1.450 20 5 CDBDRO CC(C)(CCC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[N+](=O)[O-] ZINC000823021067 728278290 /nfs/dbraw/zinc/27/82/90/728278290.db2.gz XSADHUKAJSYJPF-GFCCVEGCSA-N 1 0 283.372 1.519 20 5 CDBDRO Cc1cnc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000261603609 728292486 /nfs/dbraw/zinc/29/24/86/728292486.db2.gz QUTPWBZPHKJPMR-MNOVXSKESA-N 1 0 262.313 1.486 20 5 CDBDRO [NH3+]CCCCCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000831466583 728338657 /nfs/dbraw/zinc/33/86/57/728338657.db2.gz ZJHSDLWNPPUOJI-UHFFFAOYSA-N 1 0 291.311 1.929 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825890888 1165886535 /nfs/dbraw/zinc/88/65/35/1165886535.db2.gz ALVXAQCINXTBIU-GXFFZTMASA-N 1 0 295.339 1.085 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH3+])C1 ZINC001173217753 912301630 /nfs/dbraw/zinc/30/16/30/912301630.db2.gz LXFOXTJBZRIUBQ-WCQYABFASA-N 1 0 263.341 1.949 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(C)OCCO1 ZINC001173218521 912302570 /nfs/dbraw/zinc/30/25/70/912302570.db2.gz PSJWZCFFOVWPFK-LLVKDONJSA-N 1 0 280.324 1.878 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCNC(=O)C1 ZINC001173210879 912332352 /nfs/dbraw/zinc/33/23/52/912332352.db2.gz PAHPMWWPBGZVQQ-DGCLKSJQSA-N 1 0 291.351 1.642 20 5 CDBDRO CCCC[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000216591905 893979094 /nfs/dbraw/zinc/97/90/94/893979094.db2.gz CJAVBYJSZACAGK-CHWSQXEVSA-N 1 0 268.313 1.379 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC2(C1)CCC[NH2+]C2 ZINC000709790912 901808320 /nfs/dbraw/zinc/80/83/20/901808320.db2.gz RBWKRWCMMPBVRC-UHFFFAOYSA-N 1 0 262.313 1.488 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC001225663015 903625326 /nfs/dbraw/zinc/62/53/26/903625326.db2.gz PUNOVGNXDJNDQR-JTQLQIEISA-N 1 0 251.286 1.771 20 5 CDBDRO CCC/C=C/CC[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936897 909938221 /nfs/dbraw/zinc/93/82/21/909938221.db2.gz WTEYZJDEVDSAAF-GKUNOOHESA-N 1 0 269.345 1.104 20 5 CDBDRO C[C@H]1CC[C@H](C[NH3+])CN1c1cc([N+](=O)[O-])ccn1 ZINC000070183276 916140878 /nfs/dbraw/zinc/14/08/78/916140878.db2.gz QLZJFQLSJNIMKL-VHSXEESVSA-N 1 0 250.302 1.553 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC001117687914 921983368 /nfs/dbraw/zinc/98/33/68/921983368.db2.gz RALZWTKTEKMYDT-WDEREUQCSA-N 1 0 276.340 1.757 20 5 CDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839536780 936914286 /nfs/dbraw/zinc/91/42/86/936914286.db2.gz QOAXFEVXQQVCKL-XJFOESAGSA-N 1 0 297.399 1.526 20 5 CDBDRO Cc1nc(N2C[C@@H](C)CC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC001164063369 924549553 /nfs/dbraw/zinc/54/95/53/924549553.db2.gz RZOWXQNFJFHHHB-ONGXEEELSA-N 1 0 264.329 1.862 20 5 CDBDRO COc1ccnc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)c1[N+](=O)[O-] ZINC001168807397 927462310 /nfs/dbraw/zinc/46/23/10/927462310.db2.gz GMXIDHFMVHOZLU-SECBINFHSA-N 1 0 289.295 1.000 20 5 CDBDRO COc1cc2ncnc(N3CC[C@@H]([NH3+])C3)c2cc1[N+](=O)[O-] ZINC001156225078 927469413 /nfs/dbraw/zinc/46/94/13/927469413.db2.gz ACUAEAQNFCUREV-MRVPVSSYSA-N 1 0 289.295 1.084 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]([NH3+])C2)n1 ZINC001156228191 927487401 /nfs/dbraw/zinc/48/74/01/927487401.db2.gz CHFPNMOCNJSFIO-SSDOTTSWSA-N 1 0 256.693 1.489 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)nc1 ZINC001168981140 927568037 /nfs/dbraw/zinc/56/80/37/927568037.db2.gz GCPOVSKLEZRAAZ-GHMZBOCLSA-N 1 0 265.313 1.625 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC001168979552 927568285 /nfs/dbraw/zinc/56/82/85/927568285.db2.gz ZDVDXBFVFFMJES-WPRPVWTQSA-N 1 0 266.301 1.482 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccnc(F)c2)C1 ZINC001168984347 927572995 /nfs/dbraw/zinc/57/29/95/927572995.db2.gz MEJNZIVMRMPSDR-WDEREUQCSA-N 1 0 253.277 1.756 20 5 CDBDRO CN(C(=O)CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC1 ZINC001168963192 927584454 /nfs/dbraw/zinc/58/44/54/927584454.db2.gz OOVPRIHUIKQCSH-WDEREUQCSA-N 1 0 269.345 1.032 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC3(C2)OCCO3)C1 ZINC001168993297 927601219 /nfs/dbraw/zinc/60/12/19/927601219.db2.gz MIMXTUZCPBRXBD-AGIUHOORSA-N 1 0 284.356 1.707 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccn3)C2)C1 ZINC001168997298 927602409 /nfs/dbraw/zinc/60/24/09/927602409.db2.gz YNXJOKLFQRRXTG-HZSPNIEDSA-N 1 0 290.367 1.695 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN(c3cnccn3)C2)C1 ZINC001168996607 927603475 /nfs/dbraw/zinc/60/34/75/927603475.db2.gz WLGVYYYZNLNBTH-JHJVBQTASA-N 1 0 291.355 1.090 20 5 CDBDRO COc1cnccc1CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169002731 927605050 /nfs/dbraw/zinc/60/50/50/927605050.db2.gz MBYLJDRBDDNPGR-AAEUAGOBSA-N 1 0 279.340 1.668 20 5 CDBDRO [NH3+]Cc1nc2cnccc2n1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169000936 927605117 /nfs/dbraw/zinc/60/51/17/927605117.db2.gz ZPXFUELWZSALRN-ZJUUUORDSA-N 1 0 275.312 1.508 20 5 CDBDRO COCC[NH+](CCOC)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007367 927611918 /nfs/dbraw/zinc/61/19/18/927611918.db2.gz MXASERJDNUDONB-RYUDHWBXSA-N 1 0 260.334 1.027 20 5 CDBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169009044 927613588 /nfs/dbraw/zinc/61/35/88/927613588.db2.gz UOJYTEPTLIDUSM-LOWDOPEQSA-N 1 0 284.356 1.753 20 5 CDBDRO C[N@H+](Cc1nnc2ccccn21)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011836 927616597 /nfs/dbraw/zinc/61/65/97/927616597.db2.gz MRGSOZWMIOOUFA-NWDGAFQWSA-N 1 0 289.339 1.607 20 5 CDBDRO CC1(C)C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@](C)(CO)C1 ZINC001169014010 927619962 /nfs/dbraw/zinc/61/99/62/927619962.db2.gz XTAGSYIFPIRGCC-BZPMIXESSA-N 1 0 270.373 1.915 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2c3ccccc3C[C@@H]2O)C1 ZINC001168987226 927621902 /nfs/dbraw/zinc/62/19/02/927621902.db2.gz HRFNPOHSVAOBQO-DWZYQQQCSA-N 1 0 276.336 1.680 20 5 CDBDRO CCOc1nccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168990001 927629491 /nfs/dbraw/zinc/62/94/91/927629491.db2.gz ALYBHCOPUHLMFH-GHMZBOCLSA-N 1 0 280.328 1.410 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[NH+](CC3CC3)CC2)C1 ZINC001169027862 927631892 /nfs/dbraw/zinc/63/18/92/927631892.db2.gz RGALLTCLYFNSDZ-ZIAGYGMSSA-N 1 0 267.373 1.459 20 5 CDBDRO COC(=O)[C@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169033675 927640340 /nfs/dbraw/zinc/64/03/40/927640340.db2.gz DHZPEUIQASJJRO-WOPDTQHZSA-N 1 0 270.329 1.317 20 5 CDBDRO COC(=O)[C@H]1CC[C@@H](C)[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169033301 927642103 /nfs/dbraw/zinc/64/21/03/927642103.db2.gz BSRCZECEYYJWGV-MROQNXINSA-N 1 0 284.356 1.705 20 5 CDBDRO C[N@H+](Cc1cnccn1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037455 927646840 /nfs/dbraw/zinc/64/68/40/927646840.db2.gz RXABYTJUFFMNAO-ZYHUDNBSSA-N 1 0 250.302 1.354 20 5 CDBDRO CC(=O)N(C)C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169037111 927647071 /nfs/dbraw/zinc/64/70/71/927647071.db2.gz JBHNYNWODLZTFE-JSGCOSHPSA-N 1 0 283.372 1.375 20 5 CDBDRO Cn1cnc2c1CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169039224 927649828 /nfs/dbraw/zinc/64/98/28/927649828.db2.gz OGPXDPPJDGSAQD-GHMZBOCLSA-N 1 0 264.329 1.224 20 5 CDBDRO CC[N@H+](CCN1CCOCC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039884 927653062 /nfs/dbraw/zinc/65/30/62/927653062.db2.gz VIIGUQZHZDPZDO-UONOGXRCSA-N 1 0 285.388 1.086 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCn3nccc3C2)C1 ZINC001169044583 927657385 /nfs/dbraw/zinc/65/73/85/927657385.db2.gz IKXPDTLJKZJLCU-GHMZBOCLSA-N 1 0 250.302 1.144 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[NH+](C3CCOCC3)CC2)C1 ZINC001169024380 927663507 /nfs/dbraw/zinc/66/35/07/927663507.db2.gz GWBDQDQZCIMOMZ-UKRRQHHQSA-N 1 0 297.399 1.228 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](Oc3cccnc3)C2)C1 ZINC001169025951 927665692 /nfs/dbraw/zinc/66/56/92/927665692.db2.gz KFKKIJZEFJABLK-UMVBOHGHSA-N 1 0 291.351 1.980 20 5 CDBDRO CC(C)N(C)[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169047016 927667344 /nfs/dbraw/zinc/66/73/44/927667344.db2.gz PPHXOYRABKPQQF-MGPQQGTHSA-N 1 0 269.389 1.846 20 5 CDBDRO CCOC(=O)C[N@H+](C1CC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169050440 927669111 /nfs/dbraw/zinc/66/91/11/927669111.db2.gz ZQXIUBXMBVJFSL-JQWIXIFHSA-N 1 0 270.329 1.459 20 5 CDBDRO CCNC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169051287 927670111 /nfs/dbraw/zinc/67/01/11/927670111.db2.gz CRWKRDRHJJTBMR-UTUOFQBUSA-N 1 0 269.345 1.032 20 5 CDBDRO CC(C)N1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1C ZINC001169053556 927672822 /nfs/dbraw/zinc/67/28/22/927672822.db2.gz IOWWBRKZZGARIM-IHRRRGAJSA-N 1 0 269.389 1.846 20 5 CDBDRO CCN1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C(C)(C)C1 ZINC001169053582 927672974 /nfs/dbraw/zinc/67/29/74/927672974.db2.gz JBVXPIHHMMHRKA-OLZOCXBDSA-N 1 0 269.389 1.848 20 5 CDBDRO Cn1cc(-n2ncc3c2cccc3C[NH3+])cc([N+](=O)[O-])c1=O ZINC001169188701 927800958 /nfs/dbraw/zinc/80/09/58/927800958.db2.gz BXECOYOHFXJRAB-UHFFFAOYSA-N 1 0 299.290 1.091 20 5 CDBDRO COc1ccnc(-n2ncc3c2cccc3C[NH3+])c1[N+](=O)[O-] ZINC001169194825 927806089 /nfs/dbraw/zinc/80/60/89/927806089.db2.gz LMWSVQIMHFSCTL-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO C[C@H]([NH3+])c1ccn(-c2ncnc3sc([N+](=O)[O-])cc32)n1 ZINC001169231654 927841368 /nfs/dbraw/zinc/84/13/68/927841368.db2.gz OXONLRHCRFNGHC-LURJTMIESA-N 1 0 290.308 1.805 20 5 CDBDRO Cc1c(F)cnc(NCC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC001169558771 928174632 /nfs/dbraw/zinc/17/46/32/928174632.db2.gz RSYWGSTVEAZLSL-SECBINFHSA-N 1 0 268.292 1.991 20 5 CDBDRO C[C@@](CO)([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000782174979 937241529 /nfs/dbraw/zinc/24/15/29/937241529.db2.gz ADJQHYLVDYAGFR-AWEZNQCLSA-N 1 0 264.325 1.888 20 5 CDBDRO CC[C@]1(CO)CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000784394729 937300570 /nfs/dbraw/zinc/30/05/70/937300570.db2.gz VWAKZUTTXRDQKJ-HUUCEWRRSA-N 1 0 294.351 1.865 20 5 CDBDRO Cc1c(NC[C@H]2COCC[NH2+]2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001170044748 929138111 /nfs/dbraw/zinc/13/81/11/929138111.db2.gz OCIRKFGSTICSFM-VIFPVBQESA-N 1 0 296.283 1.212 20 5 CDBDRO CC[C@@H](C)Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001157230456 929364644 /nfs/dbraw/zinc/36/46/44/929364644.db2.gz OETJURFKNFIAKE-SECBINFHSA-N 1 0 280.332 1.005 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H](CF)C2)cc1 ZINC000880298961 929651350 /nfs/dbraw/zinc/65/13/50/929651350.db2.gz MNSWBGDMWHYZML-MFKMUULPSA-N 1 0 268.288 1.920 20 5 CDBDRO Cc1c(F)cc([N+](=O)[O-])cc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001170786876 930022878 /nfs/dbraw/zinc/02/28/78/930022878.db2.gz BFGJMYSPXVVLAX-PRHODGIISA-N 1 0 269.276 1.035 20 5 CDBDRO Cc1cc(Cl)c(N[C@@H]2C[NH2+]C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001170789470 930036886 /nfs/dbraw/zinc/03/68/86/930036886.db2.gz OMDNQDZTSGIZBO-WCBMZHEXSA-N 1 0 285.731 1.549 20 5 CDBDRO CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001115530748 937390770 /nfs/dbraw/zinc/39/07/70/937390770.db2.gz OVLGXAXICCIQMS-GHMZBOCLSA-N 1 0 269.345 1.080 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1ncc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001170856838 930454971 /nfs/dbraw/zinc/45/49/71/930454971.db2.gz BIYLXTQTKCLTDH-ZDUSSCGKSA-N 1 0 282.344 1.757 20 5 CDBDRO C[N@H+](CCO)CCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000884825267 930638289 /nfs/dbraw/zinc/63/82/89/930638289.db2.gz NYISWVWJOHAUHM-UHFFFAOYSA-N 1 0 290.323 1.479 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@](O)(C3CC3)C2)cc1 ZINC001116823126 937474148 /nfs/dbraw/zinc/47/41/48/937474148.db2.gz AHVWZEGNJGHTJC-GJZGRUSLSA-N 1 0 292.335 1.475 20 5 CDBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001117779882 937553022 /nfs/dbraw/zinc/55/30/22/937553022.db2.gz BZILBXOVSSGRRY-NEPJUHHUSA-N 1 0 285.388 1.811 20 5 CDBDRO [NH3+]Cc1cn(-c2nc(Cl)c(Cl)cc2[N+](=O)[O-])cn1 ZINC001154907091 937603143 /nfs/dbraw/zinc/60/31/43/937603143.db2.gz VGGSEQVGHVTBRQ-UHFFFAOYSA-N 1 0 288.094 1.941 20 5 CDBDRO [NH3+]Cc1cn(-c2nccc3ccc([N+](=O)[O-])cc32)cn1 ZINC001154910304 937603664 /nfs/dbraw/zinc/60/36/64/937603664.db2.gz ZTIUZBBRSFADBC-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO Cc1ccnc(NC[C@@H]2C[C@H](F)C[NH2+]2)c1[N+](=O)[O-] ZINC001155034234 937624321 /nfs/dbraw/zinc/62/43/21/937624321.db2.gz XRHWUVLXFOZMHL-IUCAKERBSA-N 1 0 254.265 1.410 20 5 CDBDRO C[C@@H]1C[C@@H](CNc2ccc3[nH]cc([N+](=O)[O-])c3n2)C[NH2+]1 ZINC001155101856 937635201 /nfs/dbraw/zinc/63/52/01/937635201.db2.gz MHRQSEVNCJAWPQ-RKDXNWHRSA-N 1 0 275.312 1.881 20 5 CDBDRO COc1cc(N[C@@H]2CC[NH2+][C@@H]2C)ncc1[N+](=O)[O-] ZINC001155187430 937646045 /nfs/dbraw/zinc/64/60/45/937646045.db2.gz CUJCOLMDWDBMGU-HTQZYQBOSA-N 1 0 252.274 1.161 20 5 CDBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)[C@@H](C)O ZINC000929338077 933228051 /nfs/dbraw/zinc/22/80/51/933228051.db2.gz PJGBUHZMMNIKQK-BXUZGUMPSA-N 1 0 282.340 1.547 20 5 CDBDRO COc1cc(C)nc(N[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC001155915458 937688366 /nfs/dbraw/zinc/68/83/66/937688366.db2.gz GJKMGGKMKUWEHW-SECBINFHSA-N 1 0 268.317 1.669 20 5 CDBDRO Cc1c(C)c(N[C@@H](C)C[NH+](C)C)ncc1[N+](=O)[O-] ZINC001155917551 937688906 /nfs/dbraw/zinc/68/89/06/937688906.db2.gz XSABHQSSWLZRCU-QMMMGPOBSA-N 1 0 252.318 1.969 20 5 CDBDRO C[C@H]1COC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000932503174 933725109 /nfs/dbraw/zinc/72/51/09/933725109.db2.gz ZFBZCXPKMDWJPX-GZMMTYOYSA-N 1 0 254.261 1.858 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2CC=CC2)c1 ZINC001120560526 937810241 /nfs/dbraw/zinc/81/02/41/937810241.db2.gz FFQVKJFDAYICKB-ZDUSSCGKSA-N 1 0 278.308 1.643 20 5 CDBDRO C[NH2+]C1(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001122166383 937910002 /nfs/dbraw/zinc/91/00/02/937910002.db2.gz JTURUAMGRYIIEP-SNVBAGLBSA-N 1 0 277.324 1.914 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC001122302685 937919757 /nfs/dbraw/zinc/91/97/57/937919757.db2.gz YITHHWOQEXZKGM-NWDGAFQWSA-N 1 0 289.335 1.585 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC001122321312 937921437 /nfs/dbraw/zinc/92/14/37/937921437.db2.gz RTAOWBLJWMLWOY-XHDPSFHLSA-N 1 0 289.335 1.857 20 5 CDBDRO COC(=O)C1(Nc2ncc([N+](=O)[O-])cc2C)CC[NH2+]CC1 ZINC001156528886 938379492 /nfs/dbraw/zinc/37/94/92/938379492.db2.gz JDQKNEDWROZPPT-UHFFFAOYSA-N 1 0 294.311 1.005 20 5 CDBDRO C[NH2+]CCNc1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001156892288 938430119 /nfs/dbraw/zinc/43/01/19/938430119.db2.gz VOWGMNANUPFWPD-UHFFFAOYSA-N 1 0 265.100 1.928 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(c3nc(Cl)ncc3[N+](=O)[O-])C[C@@H]21 ZINC001157260584 938470742 /nfs/dbraw/zinc/47/07/42/938470742.db2.gz LETKSEGTNQGORK-SCZZXKLOSA-N 1 0 297.746 1.569 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1-n1ccc2c1CC[NH2+]C2 ZINC001157443587 938491995 /nfs/dbraw/zinc/49/19/95/938491995.db2.gz AYSWODUFWLOVEM-UHFFFAOYSA-N 1 0 294.698 1.318 20 5 CDBDRO [NH3+]Cc1cnn(-c2cnc3cc([N+](=O)[O-])ccc3n2)c1 ZINC001157472019 938498271 /nfs/dbraw/zinc/49/82/71/938498271.db2.gz RXMVQUILIQWKEN-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO CCC[N@H+]1C[C@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])C[C@H]2C1 ZINC001157691860 938533269 /nfs/dbraw/zinc/53/32/69/938533269.db2.gz ZXOMUUUDEKSNFO-TXEJJXNPSA-N 1 0 292.339 1.006 20 5 CDBDRO C[C@H]1[C@H]([NH3+])CCCN1c1c([N+](=O)[O-])cc[n+]([O-])c1Cl ZINC001157741629 938538634 /nfs/dbraw/zinc/53/86/34/938538634.db2.gz MCUXKJBVKSFYRO-JGVFFNPUSA-N 1 0 286.719 1.198 20 5 CDBDRO CC/C=C/CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767657 938542992 /nfs/dbraw/zinc/54/29/92/938542992.db2.gz RENAIYDRAUQIBC-BLDJZWNYSA-N 1 0 269.345 1.104 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1-n1cc2c(n1)CC[C@@H]([NH3+])C2 ZINC001157979987 938571089 /nfs/dbraw/zinc/57/10/89/938571089.db2.gz LWLMNCQSSNNCKX-SNVBAGLBSA-N 1 0 273.296 1.300 20 5 CDBDRO COc1cc(C)nc(N(C(C)C)[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC001158026067 938576178 /nfs/dbraw/zinc/57/61/78/938576178.db2.gz RVRRLKXLCSINFJ-LLVKDONJSA-N 1 0 294.355 1.884 20 5 CDBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(N)n2)C2(CCCC2)C1 ZINC001158409937 938618880 /nfs/dbraw/zinc/61/88/80/938618880.db2.gz GIYKQQFMWCCSRK-UHFFFAOYSA-N 1 0 291.355 1.637 20 5 CDBDRO Cc1cnc(N2CCC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001158675837 938649327 /nfs/dbraw/zinc/64/93/27/938649327.db2.gz UINUYCFTQNLMMM-ZDUSSCGKSA-N 1 0 264.329 1.863 20 5 CDBDRO CCOc1nc(-n2ccc(C[NH3+])c2)ccc1[N+](=O)[O-] ZINC001158767165 938661929 /nfs/dbraw/zinc/66/19/29/938661929.db2.gz SUPVBEILYYCKMO-UHFFFAOYSA-N 1 0 262.269 1.638 20 5 CDBDRO Cc1cnc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC001159489967 938732087 /nfs/dbraw/zinc/73/20/87/938732087.db2.gz SGKOIBGASJBWTL-ONGXEEELSA-N 1 0 266.301 1.087 20 5 CDBDRO COc1ncnc(N[C@H]2CC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC001161178260 938877954 /nfs/dbraw/zinc/87/79/54/938877954.db2.gz ZOTDRDZTLJARAP-VIFPVBQESA-N 1 0 293.327 1.432 20 5 CDBDRO COc1cnc(NCCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC001161728285 938926755 /nfs/dbraw/zinc/92/67/55/938926755.db2.gz FRCMNIHALGRWHT-UHFFFAOYSA-N 1 0 268.317 1.752 20 5 CDBDRO [NH3+]Cc1cn(-c2nccc3c2cccc3[N+](=O)[O-])cn1 ZINC001162293874 938972236 /nfs/dbraw/zinc/97/22/36/938972236.db2.gz CMBJXPLUMHCPSU-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO COc1cnc(N[C@H]2C[C@@](C)([NH3+])C2)c([N+](=O)[O-])c1 ZINC001162328339 939024385 /nfs/dbraw/zinc/02/43/85/939024385.db2.gz OIPPAUFXNVSSQT-DGFRNANFSA-N 1 0 252.274 1.290 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](Nc2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])C1 ZINC001162391500 939042436 /nfs/dbraw/zinc/04/24/36/939042436.db2.gz NKHYUXYQCITIPZ-HTQZYQBOSA-N 1 0 286.719 1.563 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](Nc2ccc3ncc([N+](=O)[O-])n3c2)C1 ZINC001162403470 939045759 /nfs/dbraw/zinc/04/57/59/939045759.db2.gz ZPLYQJPYFBGPBI-UWVGGRQHSA-N 1 0 275.312 1.924 20 5 CDBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1nccnc1[N+](=O)[O-] ZINC001162759423 939134671 /nfs/dbraw/zinc/13/46/71/939134671.db2.gz RXJUEQXLIVQAQQ-QMMMGPOBSA-N 1 0 284.279 1.743 20 5 CDBDRO O=[N+]([O-])c1cnc(NCc2ccc3c(c2)CC[NH2+]C3)nc1 ZINC001162794923 939142278 /nfs/dbraw/zinc/14/22/78/939142278.db2.gz ADBSBDGDBZKSSN-UHFFFAOYSA-N 1 0 285.307 1.643 20 5 CDBDRO CCOc1cc([N+](=O)[O-])ccc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163141827 939212191 /nfs/dbraw/zinc/21/21/91/939212191.db2.gz ZNHAQMBGLFPZGY-RAIGVLPGSA-N 1 0 293.323 1.392 20 5 CDBDRO Cc1c(F)cc([N+](=O)[O-])cc1NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001163160707 939216973 /nfs/dbraw/zinc/21/69/73/939216973.db2.gz ZIDVMAQYGAGUPX-HZMBPMFUSA-N 1 0 295.314 1.690 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@H]2C[NH2+]Cc3ccsc32)nc1 ZINC001163219755 939227798 /nfs/dbraw/zinc/22/77/98/939227798.db2.gz FRAFKZYNGRYFHZ-VIFPVBQESA-N 1 0 277.309 1.703 20 5 CDBDRO CN(CC[NH3+])c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001163686899 939308004 /nfs/dbraw/zinc/30/80/04/939308004.db2.gz NCGXFBOBYBNMBV-UHFFFAOYSA-N 1 0 281.703 1.586 20 5 CDBDRO COc1nc(C)c(N(CCC[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC001164126683 939414606 /nfs/dbraw/zinc/41/46/06/939414606.db2.gz FCWDMTJGBPGTOP-UHFFFAOYSA-N 1 0 282.344 1.870 20 5 CDBDRO CC[NH+]1CCC(N(C)c2ncc(OC)cc2[N+](=O)[O-])CC1 ZINC001165068625 939506190 /nfs/dbraw/zinc/50/61/90/939506190.db2.gz SUQFSWSHRGYWQA-UHFFFAOYSA-N 1 0 294.355 1.919 20 5 CDBDRO Cc1c(C)c(N2CC(C)([NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC001165117230 939511923 /nfs/dbraw/zinc/51/19/23/939511923.db2.gz CAWOYIBTUAIBLG-UHFFFAOYSA-N 1 0 264.329 1.747 20 5 CDBDRO CN(CC[NH+]1CCCC1)c1cccc([N+](=O)[O-])n1 ZINC001165139300 939516121 /nfs/dbraw/zinc/51/61/21/939516121.db2.gz FVWLLUDMTNZEOK-UHFFFAOYSA-N 1 0 250.302 1.522 20 5 CDBDRO COc1cc(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC001165185596 939521735 /nfs/dbraw/zinc/52/17/35/939521735.db2.gz ZUQFWKNNYYSCEY-HZMBPMFUSA-N 1 0 292.339 1.386 20 5 CDBDRO [NH3+][C@]12C[C@H]1CN(c1cnc3cc([N+](=O)[O-])ccc3n1)C2 ZINC001165313570 939544329 /nfs/dbraw/zinc/54/43/29/939544329.db2.gz JWVSVPQAZPGSTO-SDBXPKJASA-N 1 0 271.280 1.075 20 5 CDBDRO Cc1nc2c(n1-c1cc([N+](=O)[O-])ccn1)CC[NH2+]CC2 ZINC001165352130 939549897 /nfs/dbraw/zinc/54/98/97/939549897.db2.gz QARWXGQVFJGJSF-UHFFFAOYSA-N 1 0 273.296 1.172 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OC[C@@H]1COc2ccccc2O1 ZINC001206348100 940023638 /nfs/dbraw/zinc/02/36/38/940023638.db2.gz WSUGIGCFOZLHLA-CHWSQXEVSA-N 1 0 266.361 1.938 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1F)ncnc2O[C@H]1CC[NH2+]C1 ZINC001218179659 941042329 /nfs/dbraw/zinc/04/23/29/941042329.db2.gz DIZUVWSTMSOVNY-ZETCQYMHSA-N 1 0 278.243 1.418 20 5 CDBDRO COc1cccc([N+](=O)[O-])c1O[C@H]1CCC[NH2+]C1 ZINC001218282964 941051006 /nfs/dbraw/zinc/05/10/06/941051006.db2.gz GESLSZUYTSYHFN-VIFPVBQESA-N 1 0 252.270 1.734 20 5 CDBDRO CSc1nccc(CO[C@@H](C)C[N+](C)(C)C)n1 ZINC001224110490 941721253 /nfs/dbraw/zinc/72/12/53/941721253.db2.gz NFANIVCQXJNEDI-JTQLQIEISA-N 1 0 256.395 1.810 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCc1nc(-c2cnccn2)no1 ZINC001224255773 941734842 /nfs/dbraw/zinc/73/48/42/941734842.db2.gz AKGDENUALOUVGK-SNVBAGLBSA-N 1 0 278.336 1.138 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(CC(N)=O)cc1 ZINC001225319930 941843485 /nfs/dbraw/zinc/84/34/85/941843485.db2.gz NVWUYKWTHYDBIP-LLVKDONJSA-O 1 0 251.350 1.188 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2c(c1)CCC2=O ZINC001225364525 941849098 /nfs/dbraw/zinc/84/90/98/941849098.db2.gz UOAPTHWWDGSMIG-GFCCVEGCSA-N 1 0 292.355 1.178 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2cnccc2c1 ZINC001226574491 942029190 /nfs/dbraw/zinc/02/91/90/942029190.db2.gz IRKGEBXTGOKRKN-CQSZACIVSA-N 1 0 289.355 1.597 20 5 CDBDRO C[C@H](C[NH+](C)C)Oc1cc(Cl)c([N+](=O)[O-])cn1 ZINC001226918509 942094739 /nfs/dbraw/zinc/09/47/39/942094739.db2.gz YBAWPPRDISGTPP-SSDOTTSWSA-N 1 0 259.693 1.972 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1O[C@@H](C)CN1CCOCC1 ZINC001227185577 942145878 /nfs/dbraw/zinc/14/58/78/942145878.db2.gz UVVIIPPTYMBBCF-NSHDSACASA-N 1 0 296.323 1.703 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(NC(N)=O)c1 ZINC001227196576 942148065 /nfs/dbraw/zinc/14/80/65/942148065.db2.gz AZJKQIFBBAQYMA-JTQLQIEISA-O 1 0 252.338 1.651 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@H](Oc2nc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228140106 942273155 /nfs/dbraw/zinc/27/31/55/942273155.db2.gz GFZDPKCRSRQREZ-VIFPVBQESA-N 1 0 282.300 1.342 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1nc2cnc(Cl)nc2n1C ZINC001231109976 942787639 /nfs/dbraw/zinc/78/76/39/942787639.db2.gz ZURQRNRAPCJHNY-MRVPVSSYSA-N 1 0 284.771 1.490 20 5 CDBDRO CC(C)[NH2+]C1CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001262682332 943667795 /nfs/dbraw/zinc/66/77/95/943667795.db2.gz VANYWZLINIEATM-UHFFFAOYSA-N 1 0 279.344 1.539 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001263133955 943758662 /nfs/dbraw/zinc/75/86/62/943758662.db2.gz IIUIUEDBTVMZCW-NUZBWSBOSA-N 1 0 291.351 1.940 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@@H]2CC[C@@H](OC)C2)c1[N+](=O)[O-] ZINC001262365977 946612494 /nfs/dbraw/zinc/61/24/94/946612494.db2.gz QSCKJADKFILUMK-GHMZBOCLSA-N 1 0 296.323 1.966 20 5 CDBDRO Cc1nn(C)cc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001262572445 946725205 /nfs/dbraw/zinc/72/52/05/946725205.db2.gz UWXWEDVKULPMNN-AWEZNQCLSA-N 1 0 290.323 1.460 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCn1cnnc1 ZINC001254539969 947518755 /nfs/dbraw/zinc/51/87/55/947518755.db2.gz NMONCBIFFJRBQB-LLVKDONJSA-N 1 0 275.312 1.407 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CCC(=O)N(C)C ZINC001254559830 947523524 /nfs/dbraw/zinc/52/35/24/947523524.db2.gz NLBWXIPKDVEYLV-GFCCVEGCSA-N 1 0 293.367 1.936 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](CO)C1 ZINC001254562814 947525492 /nfs/dbraw/zinc/52/54/92/947525492.db2.gz PFYCDJBPAQQETG-NEPJUHHUSA-N 1 0 264.325 1.840 20 5 CDBDRO [NH3+]Cc1cncn1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254567018 947528335 /nfs/dbraw/zinc/52/83/35/947528335.db2.gz MLGHKWTZRYMHAY-GFCCVEGCSA-N 1 0 258.281 1.590 20 5 CDBDRO CC[C@@H](O)C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573099 947530221 /nfs/dbraw/zinc/53/02/21/947530221.db2.gz WQJVKIDPNDWYNH-WCQYABFASA-N 1 0 250.298 1.423 20 5 CDBDRO Cn1ccnc1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254567930 947531529 /nfs/dbraw/zinc/53/15/29/947531529.db2.gz QZOWTVLROWXWJW-LBPRGKRZSA-N 1 0 272.308 1.585 20 5 CDBDRO CC(=O)N1CC[C@@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254577191 947535733 /nfs/dbraw/zinc/53/57/33/947535733.db2.gz CSCHOVIZZZFQTI-ZIAGYGMSSA-N 1 0 289.335 1.272 20 5 CDBDRO CCOC(=O)[C@@H](C)C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580071 947538600 /nfs/dbraw/zinc/53/86/00/947538600.db2.gz AWVKPBYIIGXPGG-GWCFXTLKSA-N 1 0 292.335 1.851 20 5 CDBDRO O=C(C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)NC1CCC1 ZINC001254584811 947539950 /nfs/dbraw/zinc/53/99/50/947539950.db2.gz JVPVYMXDAVWQQJ-CYBMUJFWSA-N 1 0 289.335 1.320 20 5 CDBDRO CC(C)(O)[C@H](F)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254589587 947543473 /nfs/dbraw/zinc/54/34/73/947543473.db2.gz PIGPVMLWNUJDQA-DGCLKSJQSA-N 1 0 282.315 1.761 20 5 CDBDRO CN1CC[C@H]2C[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]21 ZINC001254603642 947553604 /nfs/dbraw/zinc/55/36/04/947553604.db2.gz PKYLFXHDVKNTLS-VBNZEHGJSA-N 1 0 287.363 1.698 20 5 CDBDRO COc1ccc(C[C@H](C)N2CC[C@@H]([NH3+])[C@H]2C)c([N+](=O)[O-])c1 ZINC001246552837 948258297 /nfs/dbraw/zinc/25/82/97/948258297.db2.gz ZZZGGYLTTRUSJY-MISXGVKJSA-N 1 0 293.367 1.956 20 5 CDBDRO C[C@@H]1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1[NH3+] ZINC001246570692 948292187 /nfs/dbraw/zinc/29/21/87/948292187.db2.gz SIJJPMYUQDAPTM-ONERCXAPSA-N 1 0 275.352 1.731 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246857044 948482850 /nfs/dbraw/zinc/48/28/50/948482850.db2.gz ZIRPLBGRLUBDOD-KYOSRNDESA-N 1 0 275.352 1.949 20 5 CDBDRO C[C@@]1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CCC[NH2+]1 ZINC001247976384 948908186 /nfs/dbraw/zinc/90/81/86/948908186.db2.gz QPCRIAHMSQOHCV-LBPRGKRZSA-N 1 0 293.258 1.778 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC001328693184 955421021 /nfs/dbraw/zinc/42/10/21/955421021.db2.gz SOYSCKULRDMFEZ-SECBINFHSA-N 1 0 296.327 1.723 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](c3ncccn3)C2)n1 ZINC001308113988 956471102 /nfs/dbraw/zinc/47/11/02/956471102.db2.gz PANFZFMUBBPHST-LLVKDONJSA-N 1 0 288.311 1.071 20 5 CDBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001318401621 958085772 /nfs/dbraw/zinc/08/57/72/958085772.db2.gz CXNISOKWIPWSFX-KOLCDFICSA-N 1 0 280.328 1.526 20 5 CDBDRO CC[NH+](CC)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC001318932829 958312207 /nfs/dbraw/zinc/31/22/07/958312207.db2.gz FISIZVQBQPJSGZ-UHFFFAOYSA-N 1 0 295.387 1.598 20 5 CDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2C=CCC2)cc1 ZINC001335969502 960129955 /nfs/dbraw/zinc/12/99/55/960129955.db2.gz VTTAVKVMAJYMIW-LLVKDONJSA-N 1 0 296.348 1.677 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NCC1([NH+](C)C)CCC1 ZINC001322751446 960313384 /nfs/dbraw/zinc/31/33/84/960313384.db2.gz GAFMPTVSFXQFPL-UHFFFAOYSA-N 1 0 264.329 1.616 20 5 CDBDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])C12CCC2 ZINC001336837858 960647188 /nfs/dbraw/zinc/64/71/88/960647188.db2.gz BODLZTLDAZWJNU-MNOVXSKESA-N 1 0 299.371 1.689 20 5 CDBDRO Cc1c(CC(=O)N[C@@H]2C[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC001340999771 963229988 /nfs/dbraw/zinc/22/99/88/963229988.db2.gz KWENUMHMCOKAHW-BXKDBHETSA-N 1 0 277.324 1.170 20 5 CDBDRO [NH3+]C1(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC001345308270 964662547 /nfs/dbraw/zinc/66/25/47/964662547.db2.gz USLSTIAIRXJMDI-ZZXKWVIFSA-N 1 0 261.281 1.216 20 5 CDBDRO C[C@@H]1[C@H](C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[N@@H+]1C ZINC001346079839 964910204 /nfs/dbraw/zinc/91/02/04/964910204.db2.gz ARXWMNUVJLRFAG-QMTHXVAHSA-N 1 0 289.335 1.777 20 5 CDBDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001346237307 965004830 /nfs/dbraw/zinc/00/48/30/965004830.db2.gz OZKGJKKZZIJUGZ-KCPJHIHWSA-N 1 0 294.351 1.769 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C(C)(C)C ZINC001349455654 966351610 /nfs/dbraw/zinc/35/16/10/966351610.db2.gz NDJODBSGDXKFQW-UHFFFAOYSA-N 1 0 280.328 1.963 20 5 CDBDRO CCC1([NH3+])CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001349883705 966513907 /nfs/dbraw/zinc/51/39/07/966513907.db2.gz OFTYHULVAVARCQ-UHFFFAOYSA-N 1 0 291.351 1.867 20 5 CDBDRO [NH3+]C1(CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001523344040 970688495 /nfs/dbraw/zinc/68/84/95/970688495.db2.gz BJLJRYBDNRYMHC-NWDGAFQWSA-N 1 0 275.308 1.306 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1NC ZINC001577309567 1171640600 /nfs/dbraw/zinc/64/06/00/1171640600.db2.gz XYAHSDLBFMSOKO-WDEREUQCSA-N 1 0 292.339 1.963 20 5 CDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601006440 342458725 /nfs/dbraw/zinc/45/87/25/342458725.db2.gz XTJCJZLCTMDHBP-JTQLQIEISA-N 1 0 295.314 1.806 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)CC(F)(F)F)c1 ZINC000307935759 342476585 /nfs/dbraw/zinc/47/65/85/342476585.db2.gz FOXGBPYAFYWEST-SNVBAGLBSA-N 1 0 278.230 1.998 20 5 CDBDRO C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000269189869 190475334 /nfs/dbraw/zinc/47/53/34/190475334.db2.gz GWCCQTHTURTRFW-GHMZBOCLSA-N 1 0 293.323 1.169 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000590402818 342544006 /nfs/dbraw/zinc/54/40/06/342544006.db2.gz GDBZAJFVPVRXGW-RISCZKNCSA-N 1 0 291.351 1.688 20 5 CDBDRO CC(C)[NH+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000124570407 187143858 /nfs/dbraw/zinc/14/38/58/187143858.db2.gz UTLIBEPLFQGPSR-UHFFFAOYSA-N 1 0 293.327 1.548 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCCN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601327703 342554317 /nfs/dbraw/zinc/55/43/17/342554317.db2.gz VSYDKLCAURWZKF-QWRGUYRKSA-N 1 0 263.297 1.020 20 5 CDBDRO CNc1ccc(C(=O)N(C)C[C@H]2CC[NH2+]2)cc1[N+](=O)[O-] ZINC001578755465 1171996592 /nfs/dbraw/zinc/99/65/92/1171996592.db2.gz XZXRAHKTRMNJGU-SNVBAGLBSA-N 1 0 278.312 1.070 20 5 CDBDRO CCc1ccc(C(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000082721354 178235532 /nfs/dbraw/zinc/23/55/32/178235532.db2.gz ZJLKXZFHYMUZSF-UHFFFAOYSA-N 1 0 263.297 1.203 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCCC[NH2+]2)c(F)c1 ZINC000591426975 342631099 /nfs/dbraw/zinc/63/10/99/342631099.db2.gz ZLUCTIJCYWGXDI-MRVPVSSYSA-N 1 0 254.265 1.683 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000591348313 342626884 /nfs/dbraw/zinc/62/68/84/342626884.db2.gz QCXOFTOKGOPFSV-VXGBXAGGSA-N 1 0 292.339 1.664 20 5 CDBDRO O=[N+]([O-])c1ccc2oc(CN3CC[NH2+]CC3)nc2c1 ZINC000083253828 178370222 /nfs/dbraw/zinc/37/02/22/178370222.db2.gz QHOYLRLIOREJGG-UHFFFAOYSA-N 1 0 262.269 1.141 20 5 CDBDRO Cc1nc(N2CCC([C@H]3CC[NH2+]C3)CC2)ncc1[N+](=O)[O-] ZINC000591442953 342632483 /nfs/dbraw/zinc/63/24/83/342632483.db2.gz XUIADXCVKMQGIJ-LBPRGKRZSA-N 1 0 291.355 1.519 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)c1ccccc1[N+](=O)[O-] ZINC000311027778 342143816 /nfs/dbraw/zinc/14/38/16/342143816.db2.gz DJPJDBIWSZVHMN-VIFPVBQESA-N 1 0 251.286 1.452 20 5 CDBDRO Cc1c(NC(=O)[C@@H]2[NH2+]CC2(C)C)cccc1[N+](=O)[O-] ZINC000591672272 342641430 /nfs/dbraw/zinc/64/14/30/342641430.db2.gz FOVZKLIIAKNYBP-NSHDSACASA-N 1 0 263.297 1.840 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591686182 342643306 /nfs/dbraw/zinc/64/33/06/342643306.db2.gz PJLQTPXBMTWGDA-QWRGUYRKSA-N 1 0 295.314 1.641 20 5 CDBDRO C[N@H+](CCC(C)(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000592144189 342672796 /nfs/dbraw/zinc/67/27/96/342672796.db2.gz BNZQSZCXBOQSRJ-GFCCVEGCSA-N 1 0 284.360 1.520 20 5 CDBDRO CCC[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000058848599 342153681 /nfs/dbraw/zinc/15/36/81/342153681.db2.gz HIAHYKKKWDDAJY-UHFFFAOYSA-N 1 0 291.351 1.692 20 5 CDBDRO O=[N+]([O-])c1cn(CC[C@H]2CC[NH2+]C2)nc1C1CC1 ZINC000592171225 342672042 /nfs/dbraw/zinc/67/20/42/342672042.db2.gz UKQCYERVRBCASS-SECBINFHSA-N 1 0 250.302 1.668 20 5 CDBDRO Cc1ccc(CN2CCO[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000592428754 342695149 /nfs/dbraw/zinc/69/51/49/342695149.db2.gz UCVYTQPRYBEAHL-SMDDNHRTSA-N 1 0 279.340 1.451 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C)[C@H](C[NH3+])C2)n1 ZINC000163994502 361860336 /nfs/dbraw/zinc/86/03/36/361860336.db2.gz ZFGJLGOHOUGJQT-MWLCHTKSSA-N 1 0 264.329 1.719 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000156882040 342169430 /nfs/dbraw/zinc/16/94/30/342169430.db2.gz LUBADUJURWBSGP-DTWKUNHWSA-N 1 0 251.286 1.194 20 5 CDBDRO C[NH2+]CCN(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000070303557 361923230 /nfs/dbraw/zinc/92/32/30/361923230.db2.gz YOXRDRSKJDQXNR-VOTSOKGWSA-N 1 0 263.297 1.286 20 5 CDBDRO C[C@H]([NH2+]CC[C@@H]1CCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000593970978 342858758 /nfs/dbraw/zinc/85/87/58/342858758.db2.gz BCLIFVLICTVQIH-WDEREUQCSA-N 1 0 277.324 1.772 20 5 CDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1C[C@]12CCC[NH2+]C2 ZINC000594430028 342898018 /nfs/dbraw/zinc/89/80/18/342898018.db2.gz UXFHKAPJANUJIF-DOMZBBRYSA-N 1 0 289.335 1.601 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000324820059 539076921 /nfs/dbraw/zinc/07/69/21/539076921.db2.gz VXFSPBUTSZJZEP-UONOGXRCSA-N 1 0 294.355 1.321 20 5 CDBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000092955543 342270387 /nfs/dbraw/zinc/27/03/87/342270387.db2.gz RQDDXHVJPGVKHX-MFKMUULPSA-N 1 0 277.324 1.252 20 5 CDBDRO Cc1ccc(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000127840301 342286836 /nfs/dbraw/zinc/28/68/36/342286836.db2.gz VIQMGPVEVNMGGE-GXFFZTMASA-N 1 0 293.323 1.091 20 5 CDBDRO O=[N+]([O-])c1cc2c(ncnc2N2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000600961508 342292840 /nfs/dbraw/zinc/29/28/40/342292840.db2.gz OQHWVFQPJQXYLK-OCAPTIKFSA-N 1 0 291.336 1.540 20 5 CDBDRO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000594970258 342992083 /nfs/dbraw/zinc/99/20/83/342992083.db2.gz WQQCDBLIEDYVKV-QMMMGPOBSA-N 1 0 256.327 1.907 20 5 CDBDRO COc1cc(C[NH2+][C@@H]2C[C@]2(C)OC)c([N+](=O)[O-])cc1OC ZINC000594995029 342995021 /nfs/dbraw/zinc/99/50/21/342995021.db2.gz KBGMBSQYCYACRP-KGLIPLIRSA-N 1 0 296.323 1.879 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000108330297 349735398 /nfs/dbraw/zinc/73/53/98/349735398.db2.gz VZDIUDVRSDRJNG-ZDUSSCGKSA-N 1 0 291.351 1.595 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000595233566 343016659 /nfs/dbraw/zinc/01/66/59/343016659.db2.gz QNQPPYBKSDYHSK-JTQLQIEISA-N 1 0 280.328 1.941 20 5 CDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[NH+]1CCCC1 ZINC000075847405 342315051 /nfs/dbraw/zinc/31/50/51/342315051.db2.gz WDKWQGAVXZQLFO-SECBINFHSA-N 1 0 283.353 1.870 20 5 CDBDRO C[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1CO ZINC000595459335 343069840 /nfs/dbraw/zinc/06/98/40/343069840.db2.gz NHCGFLABYCRUEF-TVQRCGJNSA-N 1 0 268.288 1.937 20 5 CDBDRO C[C@]1(C(N)=O)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000235745614 362076186 /nfs/dbraw/zinc/07/61/86/362076186.db2.gz HFYNLUORDXZECD-ZDUSSCGKSA-N 1 0 281.287 1.431 20 5 CDBDRO C[C@]1(C(N)=O)CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000235745001 362077005 /nfs/dbraw/zinc/07/70/05/362077005.db2.gz SPPUBPLGXYLCLH-ZDUSSCGKSA-N 1 0 297.742 1.946 20 5 CDBDRO C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247495853 362114946 /nfs/dbraw/zinc/11/49/46/362114946.db2.gz LGXRBMMZYXGHFR-DGCLKSJQSA-N 1 0 280.324 1.819 20 5 CDBDRO C[C@@H](Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O)[NH+](C)C ZINC000565774110 365720195 /nfs/dbraw/zinc/72/01/95/365720195.db2.gz IDWDAGGNYXZVTB-VIFPVBQESA-N 1 0 292.295 1.362 20 5 CDBDRO CN(CC[NH+](C)C)c1ncc([N+](=O)[O-])cc1Cl ZINC000080684683 342359162 /nfs/dbraw/zinc/35/91/62/342359162.db2.gz GUWZTQJRBFXCMV-UHFFFAOYSA-N 1 0 258.709 1.641 20 5 CDBDRO CCOc1ccc(C(=O)N[C@H](C)C[NH2+]C)cc1[N+](=O)[O-] ZINC000595982611 343210715 /nfs/dbraw/zinc/21/07/15/343210715.db2.gz JYSDQJCDIQJJOX-SECBINFHSA-N 1 0 281.312 1.331 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000595984589 343211481 /nfs/dbraw/zinc/21/14/81/343211481.db2.gz WGIZUDAZIXCGBC-ZETCQYMHSA-N 1 0 271.704 1.586 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000382511435 362129255 /nfs/dbraw/zinc/12/92/55/362129255.db2.gz OYEDCZBJAILUQV-VXNVDRBHSA-N 1 0 269.326 1.514 20 5 CDBDRO CC[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000596072845 343225449 /nfs/dbraw/zinc/22/54/49/343225449.db2.gz AGHDBPRUGQKKSD-JTQLQIEISA-N 1 0 280.328 1.982 20 5 CDBDRO O=c1[nH]ccc(NCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000596063108 343223885 /nfs/dbraw/zinc/22/38/85/343223885.db2.gz SBESTLUTDCWMLA-UHFFFAOYSA-N 1 0 266.301 1.593 20 5 CDBDRO C[NH+](C)CC1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000597708921 343606558 /nfs/dbraw/zinc/60/65/58/343606558.db2.gz RCKCHGKAXGPOFO-UHFFFAOYSA-N 1 0 263.297 1.228 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000597859957 343648666 /nfs/dbraw/zinc/64/86/66/343648666.db2.gz IZLAMOCATHSMKL-SECBINFHSA-N 1 0 295.343 1.168 20 5 CDBDRO C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000598644839 343855299 /nfs/dbraw/zinc/85/52/99/343855299.db2.gz AQMURWWMHJIWRR-STQMWFEESA-N 1 0 294.351 1.924 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598668277 343871350 /nfs/dbraw/zinc/87/13/50/343871350.db2.gz RRGSGUASMGGNTJ-WFASDCNBSA-N 1 0 289.335 1.857 20 5 CDBDRO Nc1c(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598668692 343871791 /nfs/dbraw/zinc/87/17/91/343871791.db2.gz XSKIVAHIUZSDBH-OTYXRUKQSA-N 1 0 290.323 1.130 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccncc2Cl)c1 ZINC000598967560 343931070 /nfs/dbraw/zinc/93/10/70/343931070.db2.gz JHYNXLIBHVCXJP-UHFFFAOYSA-N 1 0 281.703 1.630 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3nc4sccn4c3[N+](=O)[O-])C[C@H]21 ZINC000599082432 343957690 /nfs/dbraw/zinc/95/76/90/343957690.db2.gz BTSRBPBOJPEESU-BRPSZJMVSA-N 1 0 293.352 1.300 20 5 CDBDRO CC(=O)c1cc(NCC[N@@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000599176347 343966272 /nfs/dbraw/zinc/96/62/72/343966272.db2.gz RJCPSKHUKZUDCV-GFCCVEGCSA-N 1 0 293.323 1.276 20 5 CDBDRO C[C@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCCC[NH2+]1 ZINC000136159042 362305715 /nfs/dbraw/zinc/30/57/15/362305715.db2.gz OZDYVVUPYNCXAJ-CQSZACIVSA-N 1 0 277.324 1.743 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252869105 344086182 /nfs/dbraw/zinc/08/61/82/344086182.db2.gz RTDRGDLOJFGRGP-DLOVCJGASA-N 1 0 292.339 1.133 20 5 CDBDRO CC[NH2+][C@H](C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000602451000 344435141 /nfs/dbraw/zinc/43/51/41/344435141.db2.gz DPIQXOWHTWZMSL-SNVBAGLBSA-N 1 0 281.312 1.088 20 5 CDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602497094 344441928 /nfs/dbraw/zinc/44/19/28/344441928.db2.gz SMHGUDILJNVOKK-DTWKUNHWSA-N 1 0 281.287 1.591 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H]([NH3+])C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000602594342 344477449 /nfs/dbraw/zinc/47/74/49/344477449.db2.gz ADYBFUKCXJSNGQ-KOLCDFICSA-N 1 0 263.297 1.465 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000602594425 344480573 /nfs/dbraw/zinc/48/05/73/344480573.db2.gz BUUMMCYCPOLKSI-MNOVXSKESA-N 1 0 293.323 1.312 20 5 CDBDRO NC(=O)CC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602696672 344543530 /nfs/dbraw/zinc/54/35/30/344543530.db2.gz FFDJUQXICVEEGO-UHFFFAOYSA-N 1 0 277.324 1.383 20 5 CDBDRO C[C@H]1OCC[C@@H]1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000602819622 344609099 /nfs/dbraw/zinc/60/90/99/344609099.db2.gz UDQOOZYXJHSSMD-VXGBXAGGSA-N 1 0 294.355 1.853 20 5 CDBDRO CCC[C@@]1([NH2+]CCn2c(C)ncc2[N+](=O)[O-])CCOC1 ZINC000602827552 344612385 /nfs/dbraw/zinc/61/23/85/344612385.db2.gz FGTXYTZVSDJPPN-CYBMUJFWSA-N 1 0 282.344 1.649 20 5 CDBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602813416 344605023 /nfs/dbraw/zinc/60/50/23/344605023.db2.gz XKJCQOVQUWCISW-UWVGGRQHSA-N 1 0 298.343 1.277 20 5 CDBDRO CSC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000602919727 344650344 /nfs/dbraw/zinc/65/03/44/344650344.db2.gz GTOGDPRBPWKOIR-UHFFFAOYSA-N 1 0 270.358 1.619 20 5 CDBDRO CO[C@@H]1CCCC[C@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602868273 344639892 /nfs/dbraw/zinc/63/98/92/344639892.db2.gz VKJVMMNBTCFEAD-VXGBXAGGSA-N 1 0 282.344 1.647 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000603429335 344802339 /nfs/dbraw/zinc/80/23/39/344802339.db2.gz NNJDEEGZHBWMPB-OLZOCXBDSA-N 1 0 279.340 1.819 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCN(C3COC3)CC2)cc1 ZINC000219967076 344903766 /nfs/dbraw/zinc/90/37/66/344903766.db2.gz PPCFNCCIOUYYHU-UHFFFAOYSA-N 1 0 263.297 1.116 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000129025322 345253904 /nfs/dbraw/zinc/25/39/04/345253904.db2.gz YHSBKPLVYNHXSQ-CABZTGNLSA-N 1 0 292.339 1.005 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000129214012 345276949 /nfs/dbraw/zinc/27/69/49/345276949.db2.gz DQIVIBJTFJMULE-JQWIXIFHSA-N 1 0 277.324 1.476 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000129261326 345278896 /nfs/dbraw/zinc/27/88/96/345278896.db2.gz NDEGIWSWQGSVIV-ZYHUDNBSSA-N 1 0 277.324 1.855 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCCCC1 ZINC000052950924 345308866 /nfs/dbraw/zinc/30/88/66/345308866.db2.gz CHUUWCVVUXAEEW-UHFFFAOYSA-N 1 0 294.355 1.917 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000617491694 345659193 /nfs/dbraw/zinc/65/91/93/345659193.db2.gz JSELWRQFPAIPHF-LLVKDONJSA-N 1 0 264.329 1.910 20 5 CDBDRO C[C@H](C(=O)NCCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000617687340 345911341 /nfs/dbraw/zinc/91/13/41/345911341.db2.gz YLSYHXGGERZRTE-NSHDSACASA-N 1 0 279.340 1.766 20 5 CDBDRO CC[N@@H+]1CCN(c2c([N+](=O)[O-])c(C)nn2C)C[C@H]1C ZINC000611084770 346604375 /nfs/dbraw/zinc/60/43/75/346604375.db2.gz RXYJWJTXWAVQHV-SECBINFHSA-N 1 0 267.333 1.167 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(CO)CCCCC2)n1 ZINC000611463095 346793457 /nfs/dbraw/zinc/79/34/57/346793457.db2.gz VCAIORLTMRPRRS-UHFFFAOYSA-N 1 0 268.317 1.076 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000122600445 347662469 /nfs/dbraw/zinc/66/24/69/347662469.db2.gz ZUIKWKWATQNDMI-ZYHUDNBSSA-N 1 0 277.324 1.794 20 5 CDBDRO C[NH+](C)[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000055719995 347850633 /nfs/dbraw/zinc/85/06/33/347850633.db2.gz RXYLGCJQJZLNPE-SNVBAGLBSA-N 1 0 283.353 1.726 20 5 CDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)C[NH+]1CCCCC1 ZINC000056344289 347854821 /nfs/dbraw/zinc/85/48/21/347854821.db2.gz JZOVGFKVPRTGOJ-NSHDSACASA-N 1 0 294.355 1.775 20 5 CDBDRO C[NH+]1CCC(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087005577 179378264 /nfs/dbraw/zinc/37/82/64/179378264.db2.gz VOSZPEJPOVFLQD-UHFFFAOYSA-N 1 0 291.351 1.738 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000067632540 349031209 /nfs/dbraw/zinc/03/12/09/349031209.db2.gz HTBKHOYQVNOKFX-SNVBAGLBSA-N 1 0 281.312 1.648 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000383012608 362937712 /nfs/dbraw/zinc/93/77/12/362937712.db2.gz DITXJQQWVBDSSE-NVDWLVSRSA-N 1 0 263.297 1.414 20 5 CDBDRO C[C@H]([NH3+])C1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000110646788 349138379 /nfs/dbraw/zinc/13/83/79/349138379.db2.gz SYEMMDMGXLRLKZ-VIFPVBQESA-N 1 0 280.328 1.133 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111010178 349220367 /nfs/dbraw/zinc/22/03/67/349220367.db2.gz YAPCZQIXNNNKGU-VIFPVBQESA-N 1 0 297.742 1.978 20 5 CDBDRO CC[NH2+]CCNC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000236971077 362943940 /nfs/dbraw/zinc/94/39/40/362943940.db2.gz RKKVYIOPIZDSNO-UHFFFAOYSA-N 1 0 265.313 1.497 20 5 CDBDRO Cc1cnc(NCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000090692315 180025281 /nfs/dbraw/zinc/02/52/81/180025281.db2.gz NNHPZSJLRONTPQ-UHFFFAOYSA-N 1 0 250.302 1.806 20 5 CDBDRO Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2C)c(N)c([N+](=O)[O-])c1 ZINC000104866808 186030209 /nfs/dbraw/zinc/03/02/09/186030209.db2.gz HKSZOZQWSVDJJO-SNVBAGLBSA-N 1 0 292.339 1.309 20 5 CDBDRO CCc1nn(C)c(NCC[N@@H+](C)CC)c1[N+](=O)[O-] ZINC000091559496 180191555 /nfs/dbraw/zinc/19/15/55/180191555.db2.gz PJQUULOVMDMRQL-UHFFFAOYSA-N 1 0 255.322 1.254 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000109849860 186277793 /nfs/dbraw/zinc/27/77/93/186277793.db2.gz YRLUHUKXWIQVOH-SNVBAGLBSA-N 1 0 263.297 1.276 20 5 CDBDRO Cn1c(C(=O)NCC[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000110791366 186324361 /nfs/dbraw/zinc/32/43/61/186324361.db2.gz UYHDYMQEEGVKTK-JTQLQIEISA-N 1 0 280.328 1.053 20 5 CDBDRO C[NH+](C)CC1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000312954523 350806413 /nfs/dbraw/zinc/80/64/13/350806413.db2.gz IKDOHZXPZCFHBV-UHFFFAOYSA-N 1 0 279.344 1.350 20 5 CDBDRO Cc1cc(C(=O)N2CCCO[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000313332219 350832929 /nfs/dbraw/zinc/83/29/29/350832929.db2.gz CTRYYTDICWZAHP-CYBMUJFWSA-N 1 0 293.323 1.093 20 5 CDBDRO CCN1CC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000619823304 350856962 /nfs/dbraw/zinc/85/69/62/350856962.db2.gz NKIBSTRXOILBJM-GWCFXTLKSA-N 1 0 277.324 1.866 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000123816577 351289603 /nfs/dbraw/zinc/28/96/03/351289603.db2.gz BCDDKKYXOYSAFT-ZWNOBZJWSA-N 1 0 265.313 1.143 20 5 CDBDRO C[NH2+]CCCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000121355011 186968094 /nfs/dbraw/zinc/96/80/94/186968094.db2.gz FMYIWYKJRWLHJG-UHFFFAOYSA-N 1 0 283.353 1.656 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000156868665 188285338 /nfs/dbraw/zinc/28/53/38/188285338.db2.gz OJGGBSFJHFLBAJ-DTWKUNHWSA-N 1 0 251.286 1.194 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000063170806 363278250 /nfs/dbraw/zinc/27/82/50/363278250.db2.gz YCHSYZYLKDFZSB-QMMMGPOBSA-N 1 0 252.274 1.454 20 5 CDBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000236663852 363342560 /nfs/dbraw/zinc/34/25/60/363342560.db2.gz WTXYSUQURQAWJF-ZDUSSCGKSA-N 1 0 297.359 1.061 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365331603 363346264 /nfs/dbraw/zinc/34/62/64/363346264.db2.gz PAVLUZBIFBJZKS-DTWKUNHWSA-N 1 0 265.269 1.012 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365356966 363349262 /nfs/dbraw/zinc/34/92/62/363349262.db2.gz PHWGAKCPCZZPMT-RKDXNWHRSA-N 1 0 281.337 1.480 20 5 CDBDRO COc1ccc(C[NH2+][C@@H](C)C[S@@](C)=O)cc1[N+](=O)[O-] ZINC000168183726 188646703 /nfs/dbraw/zinc/64/67/03/188646703.db2.gz OKHUUTDNDSAQQC-UGZDLDLSSA-N 1 0 286.353 1.460 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000063193380 363382365 /nfs/dbraw/zinc/38/23/65/363382365.db2.gz JKHTZRVZCKMOGF-IUCAKERBSA-N 1 0 283.353 1.998 20 5 CDBDRO Cc1c([C@H](C)[NH2+]CCc2ncn(C)n2)cccc1[N+](=O)[O-] ZINC000358410108 355924450 /nfs/dbraw/zinc/92/44/50/355924450.db2.gz XDGRRMUCQRXOET-NSHDSACASA-N 1 0 289.339 1.925 20 5 CDBDRO C[NH+]1CCC(NC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000043179937 356518607 /nfs/dbraw/zinc/51/86/07/356518607.db2.gz HIFYZTKGMFKOCF-UHFFFAOYSA-N 1 0 292.339 1.488 20 5 CDBDRO CCCN(CC[NH+](C)C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354743558 283231187 /nfs/dbraw/zinc/23/11/87/283231187.db2.gz WKIHRCMGQRUNKX-UHFFFAOYSA-N 1 0 294.355 1.591 20 5 CDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000046861549 357149301 /nfs/dbraw/zinc/14/93/01/357149301.db2.gz QNPGAMOBCBVSGG-SNVBAGLBSA-N 1 0 281.312 1.650 20 5 CDBDRO C[C@H]1[NH2+]CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000379495634 357164626 /nfs/dbraw/zinc/16/46/26/357164626.db2.gz PVSFWIBCHKAOKZ-MNOVXSKESA-N 1 0 292.339 1.216 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000261575335 357234675 /nfs/dbraw/zinc/23/46/75/357234675.db2.gz BMFAACFTFSWUMN-UWVGGRQHSA-N 1 0 263.297 1.465 20 5 CDBDRO CC[C@H](O)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000135046480 357252429 /nfs/dbraw/zinc/25/24/29/357252429.db2.gz DZHHEOUDCGIOKT-ZDUSSCGKSA-N 1 0 252.314 1.888 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000261929729 357342397 /nfs/dbraw/zinc/34/23/97/357342397.db2.gz JLNWUFZBGTVNGK-VHSXEESVSA-N 1 0 293.323 1.413 20 5 CDBDRO C[C@@H](CO)N(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000282912770 357504447 /nfs/dbraw/zinc/50/44/47/357504447.db2.gz XUAWZHLCGZVVEO-VIFPVBQESA-N 1 0 292.295 1.457 20 5 CDBDRO CCN(C)C(=O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000185175041 357517894 /nfs/dbraw/zinc/51/78/94/357517894.db2.gz DPPNHFCIZCXZSC-SOFGYWHQSA-N 1 0 277.324 1.676 20 5 CDBDRO C[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283976482 357623272 /nfs/dbraw/zinc/62/32/72/357623272.db2.gz GUDHIGDFSHWEHQ-UWVGGRQHSA-N 1 0 267.329 1.846 20 5 CDBDRO C[C@H]([NH2+]C[C@H](C)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284110654 357642665 /nfs/dbraw/zinc/64/26/65/357642665.db2.gz NGPJAJIMEUDAOR-UWVGGRQHSA-N 1 0 266.345 1.778 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187067567 357723789 /nfs/dbraw/zinc/72/37/89/357723789.db2.gz JKUSFZJWXYNLOL-VIFPVBQESA-N 1 0 296.327 1.156 20 5 CDBDRO C[NH2+]CC1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000135227653 357799547 /nfs/dbraw/zinc/79/95/47/357799547.db2.gz MOMLXKBUMWVCHT-UHFFFAOYSA-N 1 0 295.314 1.806 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[NH+](C)C ZINC000286967303 358046599 /nfs/dbraw/zinc/04/65/99/358046599.db2.gz NOVXGLFZTSVHKO-JTQLQIEISA-N 1 0 280.328 1.975 20 5 CDBDRO CCC[NH2+]CCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000423462380 358104728 /nfs/dbraw/zinc/10/47/28/358104728.db2.gz PAMWXHYQDKDOPF-UHFFFAOYSA-N 1 0 279.340 1.562 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(CO)COC1)CCC2 ZINC000193037038 358259991 /nfs/dbraw/zinc/25/99/91/358259991.db2.gz NKWIAQDHBUYPCP-CQSZACIVSA-N 1 0 292.335 1.571 20 5 CDBDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000193566710 358303368 /nfs/dbraw/zinc/30/33/68/358303368.db2.gz JFQSYFIOGOAKBG-JOYOIKCWSA-N 1 0 263.297 1.209 20 5 CDBDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000193577639 358305799 /nfs/dbraw/zinc/30/57/99/358305799.db2.gz PCEQAXLTXMUKMX-JOYOIKCWSA-N 1 0 263.297 1.209 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000193634389 358311509 /nfs/dbraw/zinc/31/15/09/358311509.db2.gz NCWIIVGLBIZBDZ-MFKMUULPSA-N 1 0 293.323 1.230 20 5 CDBDRO Cc1c(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000132003686 358415952 /nfs/dbraw/zinc/41/59/52/358415952.db2.gz VNPTVXWHYUQRBQ-MWLCHTKSSA-N 1 0 277.324 1.713 20 5 CDBDRO COC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000541595867 358426999 /nfs/dbraw/zinc/42/69/99/358426999.db2.gz UJOZPMBRADNCFG-JTQLQIEISA-N 1 0 256.306 1.052 20 5 CDBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])o1 ZINC000294915123 199246489 /nfs/dbraw/zinc/24/64/89/199246489.db2.gz SPDZAXJBYIXYKU-SECBINFHSA-N 1 0 267.285 1.450 20 5 CDBDRO COC(=O)N1CC([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000294900326 199239221 /nfs/dbraw/zinc/23/92/21/199239221.db2.gz VWCVALOCMCGZKT-MRVPVSSYSA-N 1 0 294.311 1.278 20 5 CDBDRO COc1ccc(CC(=O)NCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000566066668 366468549 /nfs/dbraw/zinc/46/85/49/366468549.db2.gz DZMBKOCJEIQGQU-UHFFFAOYSA-N 1 0 293.323 1.144 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000087383944 359033411 /nfs/dbraw/zinc/03/34/11/359033411.db2.gz UDVWEDKMNUNLEX-GFCCVEGCSA-N 1 0 263.297 1.370 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261605002 359116182 /nfs/dbraw/zinc/11/61/82/359116182.db2.gz CSQVMTRTBSCVPO-NWDGAFQWSA-N 1 0 289.335 1.585 20 5 CDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000121037621 359128774 /nfs/dbraw/zinc/12/87/74/359128774.db2.gz PUBGRRJEDKIZLK-UWVGGRQHSA-N 1 0 281.312 1.600 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000570079352 359287465 /nfs/dbraw/zinc/28/74/65/359287465.db2.gz HJQDUJIZINCAIS-NXEZZACHSA-N 1 0 280.328 1.181 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000152915670 359558146 /nfs/dbraw/zinc/55/81/46/359558146.db2.gz FTTAZMBHGYOOTK-DGCLKSJQSA-N 1 0 280.328 1.292 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000297396436 200176297 /nfs/dbraw/zinc/17/62/97/200176297.db2.gz OUZSZALYBKYNFC-GHMZBOCLSA-N 1 0 292.339 1.345 20 5 CDBDRO CC(C)N(CC[NH+](C)C)c1c([N+](=O)[O-])ncn1C ZINC000277787136 366633770 /nfs/dbraw/zinc/63/37/70/366633770.db2.gz MYTZAVXKWJLEMX-UHFFFAOYSA-N 1 0 255.322 1.105 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCC[C@H]1CCC[NH2+]1 ZINC000166684042 360217040 /nfs/dbraw/zinc/21/70/40/360217040.db2.gz IAJRDQVEWRIYHG-GFCCVEGCSA-N 1 0 277.324 1.396 20 5 CDBDRO CN1CCC[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000122674937 360231485 /nfs/dbraw/zinc/23/14/85/360231485.db2.gz CJGUZAXXXZCYSW-NSHDSACASA-N 1 0 289.295 1.504 20 5 CDBDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000177416898 189049108 /nfs/dbraw/zinc/04/91/08/189049108.db2.gz TZFJDOYUBJURIS-AWEZNQCLSA-N 1 0 278.308 1.980 20 5 CDBDRO CN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000179074837 189166738 /nfs/dbraw/zinc/16/67/38/189166738.db2.gz XSGBYIOYFCPUTQ-QMMMGPOBSA-N 1 0 283.715 1.682 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000408461939 361146295 /nfs/dbraw/zinc/14/62/95/361146295.db2.gz BXDSJZNEOVRSPN-OCCSQVGLSA-N 1 0 289.335 1.679 20 5 CDBDRO CCOc1ccc(C(=O)N2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000160252045 361175738 /nfs/dbraw/zinc/17/57/38/361175738.db2.gz YATHKFWDRIWEGO-NSHDSACASA-N 1 0 293.323 1.557 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000053202133 361203875 /nfs/dbraw/zinc/20/38/75/361203875.db2.gz AZIJJTMPEVISOC-LLVKDONJSA-N 1 0 293.323 1.427 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H](C)[NH2+]1 ZINC000070076072 361238002 /nfs/dbraw/zinc/23/80/02/361238002.db2.gz TVOPSNYRYDKIOY-OCAPTIKFSA-N 1 0 269.326 1.479 20 5 CDBDRO Nc1c(C(=O)NC2CCC([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000262551718 361348423 /nfs/dbraw/zinc/34/84/23/361348423.db2.gz RYOBTUWSYPNPJB-UHFFFAOYSA-N 1 0 278.312 1.177 20 5 CDBDRO CC[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000236972370 361417485 /nfs/dbraw/zinc/41/74/85/361417485.db2.gz WEAMWOKFFFGWGR-UHFFFAOYSA-N 1 0 271.704 1.588 20 5 CDBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+](C)C ZINC000037985884 364012478 /nfs/dbraw/zinc/01/24/78/364012478.db2.gz YTYPHWZNVJYGBA-QMMMGPOBSA-N 1 0 268.273 1.865 20 5 CDBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[C@H]1[NH3+] ZINC000582350864 364081331 /nfs/dbraw/zinc/08/13/31/364081331.db2.gz MYVSBSGNFAKETE-GMSGAONNSA-N 1 0 254.265 1.302 20 5 CDBDRO C[NH2+]CCCn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000042410535 364585603 /nfs/dbraw/zinc/58/56/03/364585603.db2.gz TYFNUSIUVDKIMJ-UHFFFAOYSA-N 1 0 290.117 1.129 20 5 CDBDRO CC(C)[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCS1 ZINC000174880532 364588182 /nfs/dbraw/zinc/58/81/82/364588182.db2.gz DNHBXSMCBVADGH-LBPRGKRZSA-N 1 0 284.385 1.865 20 5 CDBDRO CC[N@H+](C)CCNc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000213794500 189689550 /nfs/dbraw/zinc/68/95/50/189689550.db2.gz YAYMQEWDJHCCRK-UHFFFAOYSA-N 1 0 283.328 1.976 20 5 CDBDRO CC[NH+](CC)CCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181775080 365043126 /nfs/dbraw/zinc/04/31/26/365043126.db2.gz NMLHNBZNXYVLOZ-UHFFFAOYSA-N 1 0 295.339 1.762 20 5 CDBDRO Cc1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457135439 365419132 /nfs/dbraw/zinc/41/91/32/365419132.db2.gz WHDKLFKQMABLJN-JTQLQIEISA-N 1 0 295.343 1.181 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CCCCC1 ZINC000270620923 366911163 /nfs/dbraw/zinc/91/11/63/366911163.db2.gz RNQSRXFPYOSOLV-UHFFFAOYSA-N 1 0 295.343 1.312 20 5 CDBDRO CS[C@H]1CN(c2ncc(C)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270932024 366946438 /nfs/dbraw/zinc/94/64/38/366946438.db2.gz CSUVPCGSCKXIMC-NEPJUHHUSA-N 1 0 296.396 1.780 20 5 CDBDRO CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000388765178 366933712 /nfs/dbraw/zinc/93/37/12/366933712.db2.gz FITCDTRVZQKMEI-KGYLQXTDSA-N 1 0 282.344 1.321 20 5 CDBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000414486561 241227546 /nfs/dbraw/zinc/22/75/46/241227546.db2.gz REUFOAQGFDEKKP-LBPRGKRZSA-N 1 0 291.351 1.944 20 5 CDBDRO Cc1ccc(NC(=O)N(C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000414657581 241305604 /nfs/dbraw/zinc/30/56/04/241305604.db2.gz KNYFBWZIWNEFKZ-SECBINFHSA-N 1 0 266.301 1.714 20 5 CDBDRO Nc1ccc(C(=O)NCC2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000269104284 367051300 /nfs/dbraw/zinc/05/13/00/367051300.db2.gz IEYDJVJNZJMXNU-UHFFFAOYSA-N 1 0 292.339 1.568 20 5 CDBDRO COC[C@@]1(CNCc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000414944116 241473830 /nfs/dbraw/zinc/47/38/30/241473830.db2.gz NNBKXTLDIOPEDT-AWEZNQCLSA-N 1 0 279.340 1.453 20 5 CDBDRO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000269241716 367970953 /nfs/dbraw/zinc/97/09/53/367970953.db2.gz YNBQDFXUVSBSSB-MFKMUULPSA-N 1 0 293.323 1.169 20 5 CDBDRO Cn1c(C(=O)N(CC[NH+](C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000356288546 368482067 /nfs/dbraw/zinc/48/20/67/368482067.db2.gz LGDHXYJJDFCOJC-UHFFFAOYSA-N 1 0 280.328 1.100 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000089091007 368827489 /nfs/dbraw/zinc/82/74/89/368827489.db2.gz KLUZHJUTVLXDEN-RYYBZQDPSA-N 1 0 289.335 1.852 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000420410224 244211430 /nfs/dbraw/zinc/21/14/30/244211430.db2.gz WOBQXDPVESHEHM-NSHDSACASA-N 1 0 287.323 1.218 20 5 CDBDRO C[C@H]([NH2+]C1CC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000295235277 369731142 /nfs/dbraw/zinc/73/11/42/369731142.db2.gz SFJYEGQOHMCMIA-JTQLQIEISA-N 1 0 277.324 1.394 20 5 CDBDRO CC1(C)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000572175139 294572688 /nfs/dbraw/zinc/57/26/88/294572688.db2.gz ACKYMGHDLKBPCT-NSHDSACASA-N 1 0 265.313 1.535 20 5 CDBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)(C)CO ZINC000295368316 370080414 /nfs/dbraw/zinc/08/04/14/370080414.db2.gz ZQMCUZBFOZGAMR-UHFFFAOYSA-N 1 0 295.339 1.144 20 5 CDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1ccccc1[N+](=O)[O-] ZINC000311278493 371029599 /nfs/dbraw/zinc/02/95/99/371029599.db2.gz PMMBIXKNOGFMRX-LLVKDONJSA-N 1 0 265.313 1.698 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000422774610 245239749 /nfs/dbraw/zinc/23/97/49/245239749.db2.gz XSSLXAMAKCSUDM-JTQLQIEISA-N 1 0 293.323 1.414 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000237534286 371144250 /nfs/dbraw/zinc/14/42/50/371144250.db2.gz PNOBJYHLGMPNJT-SECBINFHSA-N 1 0 283.353 1.398 20 5 CDBDRO Cc1c(CC(=O)N[C@@H]2CCC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000422864653 245350148 /nfs/dbraw/zinc/35/01/48/245350148.db2.gz NLEFSZJPFUKQFK-QWHCGFSZSA-N 1 0 291.351 1.689 20 5 CDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CCC2)n1 ZINC000331889898 204266162 /nfs/dbraw/zinc/26/61/62/204266162.db2.gz ABEFYSWYUYRUMI-UHFFFAOYSA-N 1 0 295.343 1.025 20 5 CDBDRO Cc1sc(C(=O)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000237701514 189887893 /nfs/dbraw/zinc/88/78/93/189887893.db2.gz MIDWLHQKANPQNO-QMMMGPOBSA-N 1 0 269.326 1.447 20 5 CDBDRO COC(=O)c1ccc(OCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000073695929 372993244 /nfs/dbraw/zinc/99/32/44/372993244.db2.gz OBWKLAXUWBEFTQ-UHFFFAOYSA-N 1 0 268.269 1.322 20 5 CDBDRO Cc1c(CC(=O)N(C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000269605024 373073428 /nfs/dbraw/zinc/07/34/28/373073428.db2.gz JNAPNTGNHCPMMH-UHFFFAOYSA-N 1 0 279.340 1.466 20 5 CDBDRO CCOCC[C@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000277480407 374117919 /nfs/dbraw/zinc/11/79/19/374117919.db2.gz KRCCUJLSSWTBCJ-ZDUSSCGKSA-N 1 0 282.340 1.814 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000298788728 374185282 /nfs/dbraw/zinc/18/52/82/374185282.db2.gz OWHFQOYXQSBDNL-QMMMGPOBSA-N 1 0 269.276 1.414 20 5 CDBDRO CN(CCc1ccc([N+](=O)[O-])cc1)C1(C[NH3+])CCC1 ZINC000385453718 374254822 /nfs/dbraw/zinc/25/48/22/374254822.db2.gz JTBIOODDFPVXPL-UHFFFAOYSA-N 1 0 263.341 1.951 20 5 CDBDRO CCOC[C@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000311673371 374263286 /nfs/dbraw/zinc/26/32/86/374263286.db2.gz IFEOGURAELNHDQ-ZWNOBZJWSA-N 1 0 268.313 1.643 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000312148763 374278759 /nfs/dbraw/zinc/27/87/59/374278759.db2.gz BXZXSJZWTILKJM-UIJKISKDSA-N 1 0 277.324 1.580 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000066149916 374305524 /nfs/dbraw/zinc/30/55/24/374305524.db2.gz WAHPXSKGLUGAOI-VIFPVBQESA-N 1 0 269.301 1.648 20 5 CDBDRO [NH3+]C1(CO)CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301790982 374281443 /nfs/dbraw/zinc/28/14/43/374281443.db2.gz NYJNWFKBZUZJDG-UHFFFAOYSA-N 1 0 287.266 1.163 20 5 CDBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CNCCO2)cccc1[N+](=O)[O-] ZINC000423531723 374387429 /nfs/dbraw/zinc/38/74/29/374387429.db2.gz YOGNKLSCOWBVQP-NWDGAFQWSA-N 1 0 279.340 1.542 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@H]1O ZINC000424324892 374408849 /nfs/dbraw/zinc/40/88/49/374408849.db2.gz KJIKZZOVUIDBSE-UFGOTCBOSA-N 1 0 250.298 1.639 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(C3CC3)CCOCC2)n1 ZINC000375701821 374509122 /nfs/dbraw/zinc/50/91/22/374509122.db2.gz PSWUDGYMDSPTAU-UHFFFAOYSA-N 1 0 280.328 1.340 20 5 CDBDRO Cc1c(CC(=O)N(C)[C@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000423947371 246244804 /nfs/dbraw/zinc/24/48/04/246244804.db2.gz KOJJXXXJSZDICF-CQSZACIVSA-N 1 0 291.351 1.641 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000429649533 374603295 /nfs/dbraw/zinc/60/32/95/374603295.db2.gz FEKLDRRRFIECHN-NSHDSACASA-N 1 0 289.291 1.904 20 5 CDBDRO COC(=O)[C@H]1C[C@@H](C)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000274998911 374688273 /nfs/dbraw/zinc/68/82/73/374688273.db2.gz PIBIRXYRVWYGJX-CMPLNLGQSA-N 1 0 296.327 1.065 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000447968989 374728533 /nfs/dbraw/zinc/72/85/33/374728533.db2.gz TYPHAWFYKGZQFZ-KGLIPLIRSA-N 1 0 280.324 1.533 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000277063864 374770440 /nfs/dbraw/zinc/77/04/40/374770440.db2.gz NSAHTPDMPXMTMJ-JTQLQIEISA-N 1 0 292.339 1.272 20 5 CDBDRO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000331292087 374923598 /nfs/dbraw/zinc/92/35/98/374923598.db2.gz KVGBMIWDGDXAFX-RKDXNWHRSA-N 1 0 295.343 1.093 20 5 CDBDRO O=[N+]([O-])c1ccc(CNC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000037894576 374956162 /nfs/dbraw/zinc/95/61/62/374956162.db2.gz IEYAXOITUDCWPS-CQSZACIVSA-N 1 0 279.340 1.141 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CC=CCC1 ZINC000279767740 374957424 /nfs/dbraw/zinc/95/74/24/374957424.db2.gz BCXRMMRETQMSSL-UHFFFAOYSA-N 1 0 289.335 1.895 20 5 CDBDRO CSC[C@@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332688780 375042711 /nfs/dbraw/zinc/04/27/11/375042711.db2.gz GSWCVHKQRVXXGS-ZDUSSCGKSA-N 1 0 282.365 1.677 20 5 CDBDRO COCCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283946971 375128067 /nfs/dbraw/zinc/12/80/67/375128067.db2.gz FPLFDTNXZITMQZ-SECBINFHSA-N 1 0 253.302 1.864 20 5 CDBDRO CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283849571 375126134 /nfs/dbraw/zinc/12/61/34/375126134.db2.gz BDSGBXZFISGMJJ-ONGXEEELSA-N 1 0 267.329 1.989 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000351864401 375336432 /nfs/dbraw/zinc/33/64/32/375336432.db2.gz XONJODUHWAFYMI-UWVGGRQHSA-N 1 0 267.304 1.903 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000131843451 375364302 /nfs/dbraw/zinc/36/43/02/375364302.db2.gz PCIQZZXZPIOMES-UWVGGRQHSA-N 1 0 263.297 1.404 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H](O)C(F)F ZINC000344766326 375430715 /nfs/dbraw/zinc/43/07/15/375430715.db2.gz XMCFQDUEAKDRHL-MZBZXASESA-N 1 0 272.251 1.824 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)N(C)C ZINC000344834612 375540768 /nfs/dbraw/zinc/54/07/68/375540768.db2.gz FPULJHFXNJVFBS-YRNVUSSQSA-N 1 0 277.324 1.676 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCC[NH2+]C1 ZINC000237812794 375591874 /nfs/dbraw/zinc/59/18/74/375591874.db2.gz QNQOJJIEWLYMHM-SNVBAGLBSA-N 1 0 297.742 1.659 20 5 CDBDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000352877930 375548468 /nfs/dbraw/zinc/54/84/68/375548468.db2.gz RBMBKEHHWDIVJZ-CHWSQXEVSA-N 1 0 296.371 1.807 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000132947801 375645508 /nfs/dbraw/zinc/64/55/08/375645508.db2.gz XQOZYFTUTYAXOM-SNVBAGLBSA-N 1 0 281.287 1.558 20 5 CDBDRO C[NH+](C)C[C@@](C)(O)CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000132947007 375645557 /nfs/dbraw/zinc/64/55/57/375645557.db2.gz LPDXDQIPGJLASN-LBPRGKRZSA-N 1 0 289.282 1.598 20 5 CDBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000354424531 375707635 /nfs/dbraw/zinc/70/76/35/375707635.db2.gz ZYOVKABOWYWKOQ-LLVKDONJSA-N 1 0 294.355 1.917 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCCCC2)cc1CO ZINC000428096988 247242446 /nfs/dbraw/zinc/24/24/46/247242446.db2.gz CDMMOXBJDMMMBH-UHFFFAOYSA-N 1 0 280.324 1.952 20 5 CDBDRO COC[C@@H](CCO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000228349458 375748155 /nfs/dbraw/zinc/74/81/55/375748155.db2.gz UTBXERFGGUGFFO-GFCCVEGCSA-N 1 0 268.313 1.124 20 5 CDBDRO O=[N+]([O-])c1cccc(OCCN2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357099743 375728944 /nfs/dbraw/zinc/72/89/44/375728944.db2.gz DDDQZKUGNPUHOA-QWHCGFSZSA-N 1 0 291.351 1.515 20 5 CDBDRO O=[N+]([O-])c1cccc(OCCN2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357099742 375729580 /nfs/dbraw/zinc/72/95/80/375729580.db2.gz DDDQZKUGNPUHOA-OLZOCXBDSA-N 1 0 291.351 1.515 20 5 CDBDRO C[C@@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]1C ZINC000355348652 375793355 /nfs/dbraw/zinc/79/33/55/375793355.db2.gz ZSGXSWDADIQDHN-ZJUUUORDSA-N 1 0 252.318 1.949 20 5 CDBDRO CCOc1cc(NC[C@](C)([NH3+])COC)ccc1[N+](=O)[O-] ZINC000356876827 375865747 /nfs/dbraw/zinc/86/57/47/375865747.db2.gz ZRHHVCBHEJZBCU-ZDUSSCGKSA-N 1 0 283.328 1.769 20 5 CDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCOC1 ZINC000356874555 375865890 /nfs/dbraw/zinc/86/58/90/375865890.db2.gz QPDKYPAWORJOQK-WDEREUQCSA-N 1 0 268.317 1.196 20 5 CDBDRO C[C@H]([NH2+]C[C@@H](O)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000358043997 375949075 /nfs/dbraw/zinc/94/90/75/375949075.db2.gz HFHYJVBCZSGMBI-ZKYQVNSYSA-N 1 0 280.324 1.643 20 5 CDBDRO COC[C@@H](CCO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000219111392 375951120 /nfs/dbraw/zinc/95/11/20/375951120.db2.gz ZGOLXJSANCLWJT-SECBINFHSA-N 1 0 260.315 1.143 20 5 CDBDRO C[NH2+]CCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000262227956 190051038 /nfs/dbraw/zinc/05/10/38/190051038.db2.gz PXNBFTCENWAYJL-UHFFFAOYSA-N 1 0 279.340 1.941 20 5 CDBDRO C[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000262272288 190051588 /nfs/dbraw/zinc/05/15/88/190051588.db2.gz VZOZPRIAPHRXQN-UHFFFAOYSA-N 1 0 292.339 1.249 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000430238682 247587030 /nfs/dbraw/zinc/58/70/30/247587030.db2.gz IKBNCDSBHMCCBT-PWSUYJOCSA-N 1 0 280.324 1.664 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000262611298 190058435 /nfs/dbraw/zinc/05/84/35/190058435.db2.gz DIWFVOOHCSKBNT-LLVKDONJSA-N 1 0 293.323 1.313 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000262840785 190064019 /nfs/dbraw/zinc/06/40/19/190064019.db2.gz RHDYYFRICVLAPC-XCBNKYQSSA-N 1 0 296.302 1.044 20 5 CDBDRO CN1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1=O ZINC000263697069 190074223 /nfs/dbraw/zinc/07/42/23/190074223.db2.gz DYSHXEOQEOEQNM-FVOPLDGLSA-N 1 0 275.308 1.428 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000262700124 190061601 /nfs/dbraw/zinc/06/16/01/190061601.db2.gz AOYIJPARXKERGN-MWLCHTKSSA-N 1 0 263.297 1.323 20 5 CDBDRO Cc1sc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000262761457 190062285 /nfs/dbraw/zinc/06/22/85/190062285.db2.gz AGPONLFEQQVWOD-CBAPKCEASA-N 1 0 283.353 1.835 20 5 CDBDRO Cc1nc(NCCC[N@@H+](C)C(C)C)ncc1[N+](=O)[O-] ZINC000296662494 376687442 /nfs/dbraw/zinc/68/74/42/376687442.db2.gz YOJOPZFAHJGIQB-UHFFFAOYSA-N 1 0 267.333 1.835 20 5 CDBDRO COc1ccc(C(=O)N[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000264925866 190144858 /nfs/dbraw/zinc/14/48/58/190144858.db2.gz QZPBTFGUTAZFAK-JTQLQIEISA-N 1 0 295.339 1.673 20 5 CDBDRO CC[N@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000264948927 190146873 /nfs/dbraw/zinc/14/68/73/190146873.db2.gz XPUKGYUMWBRIFM-UHFFFAOYSA-N 1 0 281.312 1.042 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](O)C1 ZINC000265131295 190160124 /nfs/dbraw/zinc/16/01/24/190160124.db2.gz ITPSGGSXDCVQBM-SNVBAGLBSA-N 1 0 252.270 1.040 20 5 CDBDRO Cc1ccnc(N2CC[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000265286806 190172495 /nfs/dbraw/zinc/17/24/95/190172495.db2.gz XHUIAAPBJLZHFH-NSHDSACASA-N 1 0 264.329 1.686 20 5 CDBDRO C[C@H](NC(=O)/C=C/C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000265610278 190193820 /nfs/dbraw/zinc/19/38/20/190193820.db2.gz FCSILJAQCQOBRW-BWNDKRECSA-N 1 0 277.324 1.890 20 5 CDBDRO COC[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000265737096 190203508 /nfs/dbraw/zinc/20/35/08/190203508.db2.gz BFEWXJDXDJAWML-JTQLQIEISA-N 1 0 293.323 1.162 20 5 CDBDRO COCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cn1 ZINC000172771388 377740753 /nfs/dbraw/zinc/74/07/53/377740753.db2.gz WIQVZEWCSNHHQA-UHFFFAOYSA-N 1 0 268.317 1.370 20 5 CDBDRO CC[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)O1 ZINC000245587788 378554009 /nfs/dbraw/zinc/55/40/09/378554009.db2.gz NHEVOUCHCHHYOL-DGCLKSJQSA-N 1 0 295.339 1.256 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000278518005 194023994 /nfs/dbraw/zinc/02/39/94/194023994.db2.gz XPYWMSYMUANGNN-AWEZNQCLSA-N 1 0 289.335 1.838 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@]1(CCO)CCOC1 ZINC000278534970 194031555 /nfs/dbraw/zinc/03/15/55/194031555.db2.gz VXNOVAYVAQCIJY-UJAVWCLSSA-N 1 0 292.335 1.739 20 5 CDBDRO CO[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000443206060 250015221 /nfs/dbraw/zinc/01/52/21/250015221.db2.gz VSOMYUSYDADJPY-GHMZBOCLSA-N 1 0 295.339 1.936 20 5 CDBDRO COC[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174860975 379593424 /nfs/dbraw/zinc/59/34/24/379593424.db2.gz DKHVIFZAVMMEEP-NSHDSACASA-N 1 0 268.317 1.150 20 5 CDBDRO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C(C)(C)C1 ZINC000267059740 190300502 /nfs/dbraw/zinc/30/05/02/190300502.db2.gz IFVYTBMPPIERAP-SNVBAGLBSA-N 1 0 252.318 1.912 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2c2ccc[nH]2)n1 ZINC000267066341 190301069 /nfs/dbraw/zinc/30/10/69/190301069.db2.gz JTDRIOJZNFHIHA-GFCCVEGCSA-N 1 0 275.312 1.957 20 5 CDBDRO CC[N@H+](CCCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000267583747 190339423 /nfs/dbraw/zinc/33/94/23/190339423.db2.gz HFILPCCFFHUSNG-UHFFFAOYSA-N 1 0 279.296 1.940 20 5 CDBDRO Nc1c(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC000449723993 250987075 /nfs/dbraw/zinc/98/70/75/250987075.db2.gz XZXXZVDADFCBIS-CBAPKCEASA-N 1 0 296.302 1.173 20 5 CDBDRO Cc1nc(NC[C@@H](C2CC2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000450311691 251218252 /nfs/dbraw/zinc/21/82/52/251218252.db2.gz JAMBEETXBWVEGA-NSHDSACASA-N 1 0 265.317 1.445 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000450613725 251367652 /nfs/dbraw/zinc/36/76/52/251367652.db2.gz MOJLTZPJGGZUGW-GFCCVEGCSA-N 1 0 297.330 1.993 20 5 CDBDRO COCC[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488965595 252973806 /nfs/dbraw/zinc/97/38/06/252973806.db2.gz MCGMWCNYRQXXRK-LLVKDONJSA-N 1 0 282.344 1.853 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000491739609 253096547 /nfs/dbraw/zinc/09/65/47/253096547.db2.gz KIPOPJRBCQXGJD-LLPBQKLSSA-N 1 0 289.335 1.676 20 5 CDBDRO CCOc1cc(C[N@H+](C)CCO)ccc1[N+](=O)[O-] ZINC000492415595 253214950 /nfs/dbraw/zinc/21/49/50/253214950.db2.gz GQSQQOFMNSKMRK-UHFFFAOYSA-N 1 0 254.286 1.418 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000289383534 197321012 /nfs/dbraw/zinc/32/10/12/197321012.db2.gz JIYCGTDRPXHLOE-ZDUSSCGKSA-N 1 0 291.351 1.879 20 5 CDBDRO C[C@H](NC[C@H](O)C[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000289312500 197293370 /nfs/dbraw/zinc/29/33/70/197293370.db2.gz FDQZDDXJNJIVKM-NHYWBVRUSA-N 1 0 293.367 1.701 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CCC([NH2+]C2CC2)CC1 ZINC000269258853 285165062 /nfs/dbraw/zinc/16/50/62/285165062.db2.gz AMPSRNTVELCVGV-UHFFFAOYSA-N 1 0 262.313 1.711 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@H]2CCCNC2)n1 ZINC000423303856 285168903 /nfs/dbraw/zinc/16/89/03/285168903.db2.gz MRLYJRRUBZJRKM-AVGNSLFASA-N 1 0 293.371 1.617 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[NH+](C)C ZINC000286965003 196747042 /nfs/dbraw/zinc/74/70/42/196747042.db2.gz NJZACWGJEPLMPM-VIFPVBQESA-N 1 0 296.327 1.675 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000285945618 390187234 /nfs/dbraw/zinc/18/72/34/390187234.db2.gz GCFWHMLSXWXHRC-ZDMBXUJBSA-N 1 0 292.339 1.293 20 5 CDBDRO CO[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000281632144 195315225 /nfs/dbraw/zinc/31/52/25/195315225.db2.gz IJMISLUKHYVSLH-QWRGUYRKSA-N 1 0 268.317 1.291 20 5 CDBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000262570347 390456843 /nfs/dbraw/zinc/45/68/43/390456843.db2.gz GOMXCMIRBSHFIX-CQSZACIVSA-N 1 0 294.355 1.670 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000450784851 390552882 /nfs/dbraw/zinc/55/28/82/390552882.db2.gz CYIWSGMDSGSDKZ-RNCFNFMXSA-N 1 0 265.288 1.874 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)n1 ZINC000451605862 390635000 /nfs/dbraw/zinc/63/50/00/390635000.db2.gz LLYGOLHCYHCJGB-TZMCWYRMSA-N 1 0 294.355 1.178 20 5 CDBDRO CC[C@H](O)CN1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000178228693 390847622 /nfs/dbraw/zinc/84/76/22/390847622.db2.gz CXDKGCYFCGTRIM-LBPRGKRZSA-N 1 0 294.355 1.191 20 5 CDBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2C[NH2+]CCCO2)c(Cl)c1 ZINC000415032117 391248113 /nfs/dbraw/zinc/24/81/13/391248113.db2.gz FNVNYVWGSJFYHJ-LBPRGKRZSA-N 1 0 299.758 1.716 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@H+]2CCCO)c(F)c1 ZINC000413334952 391202272 /nfs/dbraw/zinc/20/22/72/391202272.db2.gz SXWIDDTVIYPAIH-JTQLQIEISA-N 1 0 298.318 1.388 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](C)C[NH3+] ZINC000415300560 391279538 /nfs/dbraw/zinc/27/95/38/391279538.db2.gz RYYJJDJTGYOPGU-QMMMGPOBSA-N 1 0 280.328 1.928 20 5 CDBDRO Cc1cc(NC(=O)N(C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000415412171 391406496 /nfs/dbraw/zinc/40/64/96/391406496.db2.gz BXNXAKCSQYFHFU-UHFFFAOYSA-N 1 0 252.274 1.326 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NCC[C@@H]1CC[NH2+]C1 ZINC000110797933 391360708 /nfs/dbraw/zinc/36/07/08/391360708.db2.gz MSVCVGALHWHLBZ-JTQLQIEISA-N 1 0 250.302 1.710 20 5 CDBDRO COCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440504402 391399133 /nfs/dbraw/zinc/39/91/33/391399133.db2.gz WOPFDIWIJGCHMI-NSHDSACASA-N 1 0 280.328 1.513 20 5 CDBDRO CC1(NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000415631415 391470368 /nfs/dbraw/zinc/47/03/68/391470368.db2.gz MSYGWVVCIPNUFY-UHFFFAOYSA-N 1 0 296.302 1.998 20 5 CDBDRO C[C@@H](CC(N)=O)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000343097389 391558622 /nfs/dbraw/zinc/55/86/22/391558622.db2.gz PQZQFJXNMIUXAH-GWCFXTLKSA-N 1 0 291.351 1.769 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000521101448 391618751 /nfs/dbraw/zinc/61/87/51/391618751.db2.gz LFTIQGQJENERDJ-NWDGAFQWSA-N 1 0 293.371 1.650 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000058233596 391682602 /nfs/dbraw/zinc/68/26/02/391682602.db2.gz ZZACWGJYYRIGQQ-SECBINFHSA-N 1 0 283.715 1.682 20 5 CDBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000342177195 130311750 /nfs/dbraw/zinc/31/17/50/130311750.db2.gz HTINUSUIHQADHH-UHFFFAOYSA-N 1 0 295.343 1.266 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CC1 ZINC000416291629 391983590 /nfs/dbraw/zinc/98/35/90/391983590.db2.gz OZWSVXWRJWZBPU-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO CO[C@@H]1C[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000459783200 392505203 /nfs/dbraw/zinc/50/52/03/392505203.db2.gz ZNBROSGFXDKZRC-WDEREUQCSA-N 1 0 280.328 1.339 20 5 CDBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548929393 392515198 /nfs/dbraw/zinc/51/51/98/392515198.db2.gz UVRMUGUGZJDQTD-SNVBAGLBSA-N 1 0 295.343 1.312 20 5 CDBDRO CC(C)[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000444755036 392653384 /nfs/dbraw/zinc/65/33/84/392653384.db2.gz WJAMFSODTBSXTF-JSGCOSHPSA-N 1 0 296.371 1.520 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[C@H]2CCC[NH2+]2)n1 ZINC000420243249 392911850 /nfs/dbraw/zinc/91/18/50/392911850.db2.gz WJIIVMYTSCPDJK-SECBINFHSA-N 1 0 294.311 1.330 20 5 CDBDRO CN(CC[NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417738841 392872803 /nfs/dbraw/zinc/87/28/03/392872803.db2.gz YPZXOOCASUGUFU-UHFFFAOYSA-N 1 0 294.355 1.518 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000421234713 392928761 /nfs/dbraw/zinc/92/87/61/392928761.db2.gz FSHRQTZDIDALPT-VIFPVBQESA-N 1 0 266.301 1.089 20 5 CDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000525803812 392938080 /nfs/dbraw/zinc/93/80/80/392938080.db2.gz OQSAPSFHDSZRDV-SECBINFHSA-N 1 0 283.353 1.728 20 5 CDBDRO C[NH+](C)CCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000130729776 392941757 /nfs/dbraw/zinc/94/17/57/392941757.db2.gz DKPDRCNJSGFMIY-GQCTYLIASA-N 1 0 281.287 1.425 20 5 CDBDRO CCC[NH2+]CCN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423305687 392960014 /nfs/dbraw/zinc/96/00/14/392960014.db2.gz CENCZBIFWHTYQM-QWHCGFSZSA-N 1 0 295.387 1.864 20 5 CDBDRO COCC[NH2+]CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423331609 392961667 /nfs/dbraw/zinc/96/16/67/392961667.db2.gz MRDWZKJHJYWCOS-HNNXBMFYSA-N 1 0 293.367 1.798 20 5 CDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC[C@H]1CC[NH2+]C1 ZINC000215399909 393059988 /nfs/dbraw/zinc/05/99/88/393059988.db2.gz FUBDYWOAVAWKQT-ACVFHECNSA-N 1 0 289.335 1.724 20 5 CDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000449706450 393140000 /nfs/dbraw/zinc/14/00/00/393140000.db2.gz NIAIFJLDQDXARV-NSHDSACASA-N 1 0 292.339 1.295 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000449727924 393140075 /nfs/dbraw/zinc/14/00/75/393140075.db2.gz SIXAYDKEKXLDMI-OLZOCXBDSA-N 1 0 291.351 1.771 20 5 CDBDRO C[C@H]1OCC[C@]1(O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000278648784 393143505 /nfs/dbraw/zinc/14/35/05/393143505.db2.gz MGNFWRGLEGWFIR-NBOVPLECSA-N 1 0 292.335 1.738 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(c2ncc(C)cc2[N+](=O)[O-])C1 ZINC000090692611 139684122 /nfs/dbraw/zinc/68/41/22/139684122.db2.gz YQDYJSBARQCZPB-JTQLQIEISA-N 1 0 250.302 1.344 20 5 CDBDRO Cc1ccnc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1[N+](=O)[O-] ZINC000132460796 139853088 /nfs/dbraw/zinc/85/30/88/139853088.db2.gz AWLYENLIHGGAIC-MNOVXSKESA-N 1 0 262.313 1.629 20 5 CDBDRO C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000163525590 139918797 /nfs/dbraw/zinc/91/87/97/139918797.db2.gz UUEBVOLALIEWMB-YPMHNXCESA-N 1 0 291.351 1.581 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188160113 140089005 /nfs/dbraw/zinc/08/90/05/140089005.db2.gz XRCMCHIHOYHSBB-UHFFFAOYSA-N 1 0 297.380 1.998 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000195213103 140151367 /nfs/dbraw/zinc/15/13/67/140151367.db2.gz WVJIKKRHJISYSP-AOOOYVTPSA-N 1 0 293.298 1.334 20 5 CDBDRO CNC(=O)c1ccc(NC[C@H](C)C[NH2+]C)c([N+](=O)[O-])c1 ZINC000213353694 140160404 /nfs/dbraw/zinc/16/04/04/140160404.db2.gz PWSMZLZJIQYSIX-SECBINFHSA-N 1 0 280.328 1.222 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000216117643 140162328 /nfs/dbraw/zinc/16/23/28/140162328.db2.gz NKTWSMKORNRXHX-VHSXEESVSA-N 1 0 278.312 1.796 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000216133640 140162483 /nfs/dbraw/zinc/16/24/83/140162483.db2.gz LBHRMRPXZCMMIX-UWVGGRQHSA-N 1 0 278.312 1.796 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@@H]21 ZINC000230072541 140207329 /nfs/dbraw/zinc/20/73/29/140207329.db2.gz CMTUPUIQLNGWJM-LPEHRKFASA-N 1 0 278.312 1.122 20 5 CDBDRO Cc1c(CNC(=O)[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000231855939 140219630 /nfs/dbraw/zinc/21/96/30/140219630.db2.gz WADOAADCJFWNHZ-LBPRGKRZSA-N 1 0 277.324 1.519 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000261558266 140347503 /nfs/dbraw/zinc/34/75/03/140347503.db2.gz DDECSMRGUQLPKM-NSHDSACASA-N 1 0 253.277 1.657 20 5 CDBDRO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000261587818 140358270 /nfs/dbraw/zinc/35/82/70/140358270.db2.gz JRIQCIGOKWWULX-SKDRFNHKSA-N 1 0 263.297 1.085 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000261596952 140360541 /nfs/dbraw/zinc/36/05/41/140360541.db2.gz ZKDYADWODBVRND-NSHDSACASA-N 1 0 283.303 1.837 20 5 CDBDRO O=[N+]([O-])c1cccc(CN2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261645390 140368771 /nfs/dbraw/zinc/36/87/71/140368771.db2.gz XLIFMEIBVVVNET-AWEZNQCLSA-N 1 0 261.325 1.780 20 5 CDBDRO Nc1c(C(=O)NC2CCC([NH3+])CC2)cc(F)cc1[N+](=O)[O-] ZINC000262553943 140429895 /nfs/dbraw/zinc/42/98/95/140429895.db2.gz VIEPRZJQQZTCOD-UHFFFAOYSA-N 1 0 296.302 1.316 20 5 CDBDRO Cc1cc(C(=O)NC[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000135220450 397910179 /nfs/dbraw/zinc/91/01/79/397910179.db2.gz ILOJIKQIONOKAQ-NSHDSACASA-N 1 0 277.324 1.633 20 5 CDBDRO CCOCC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105829350 147226854 /nfs/dbraw/zinc/22/68/54/147226854.db2.gz VWMBYUGZOSWQMQ-UHFFFAOYSA-N 1 0 293.367 1.749 20 5 CDBDRO CC(C)C[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176197907 148026643 /nfs/dbraw/zinc/02/66/43/148026643.db2.gz GRAKJPQBTKRIIW-UHFFFAOYSA-N 1 0 281.360 1.065 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178585819 148066977 /nfs/dbraw/zinc/06/69/77/148066977.db2.gz UWBOJHQETOBLOS-VIFPVBQESA-N 1 0 279.296 1.024 20 5 CDBDRO CN(CC(C)(C)C[NH3+])C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000262593140 149079329 /nfs/dbraw/zinc/07/93/29/149079329.db2.gz VLQIYBPLDDWYCY-UHFFFAOYSA-N 1 0 293.367 1.971 20 5 CDBDRO COCC[C@H](CO)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000312171627 149228557 /nfs/dbraw/zinc/22/85/57/149228557.db2.gz VLKIKRIGZFUMMF-DGCLKSJQSA-N 1 0 282.340 1.951 20 5 CDBDRO [NH3+]CCN(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000342439181 151835220 /nfs/dbraw/zinc/83/52/20/151835220.db2.gz UROZPNMLNPUSNG-UHFFFAOYSA-N 1 0 289.339 1.252 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000343436918 152175423 /nfs/dbraw/zinc/17/54/23/152175423.db2.gz LNFUIRKTSFSETI-CYBMUJFWSA-N 1 0 278.312 1.139 20 5 CDBDRO CC[N@H+](CCO)CCNCc1ccc([N+](=O)[O-])cc1F ZINC000346247561 153111861 /nfs/dbraw/zinc/11/18/61/153111861.db2.gz XSJPIJSFDYQXPC-UHFFFAOYSA-N 1 0 285.319 1.138 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CC[NH3+] ZINC000349988095 154300620 /nfs/dbraw/zinc/30/06/20/154300620.db2.gz MIKCRXYMYKHFEX-QMMMGPOBSA-N 1 0 267.285 1.071 20 5 CDBDRO CC[N@H+](C[C@H](C)O)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000352195231 155013789 /nfs/dbraw/zinc/01/37/89/155013789.db2.gz PDCFELHVACRUQZ-AAEUAGOBSA-N 1 0 298.339 1.037 20 5 CDBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C[C@H](C)O ZINC000352230835 155043833 /nfs/dbraw/zinc/04/38/33/155043833.db2.gz MJALNKOJBBQIPR-NSHDSACASA-N 1 0 298.339 1.685 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](n3cncn3)C2)cc1 ZINC000375329780 160368881 /nfs/dbraw/zinc/36/88/81/160368881.db2.gz WGWQXEONIPSPCQ-CYBMUJFWSA-N 1 0 273.296 1.633 20 5 CDBDRO CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)[NH+](C)C ZINC000356140814 157370601 /nfs/dbraw/zinc/37/06/01/157370601.db2.gz GZSIJKSOFPPHPO-SNVBAGLBSA-N 1 0 297.359 1.034 20 5 CDBDRO CC[N@H+](CCNc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000357239631 157702699 /nfs/dbraw/zinc/70/26/99/157702699.db2.gz PNXIRSRHWUDUPS-UHFFFAOYSA-N 1 0 294.355 1.836 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[N@H+](CCOC)C1 ZINC000359482711 158261503 /nfs/dbraw/zinc/26/15/03/158261503.db2.gz OKJMSMYXPZRYHA-LLVKDONJSA-N 1 0 297.359 1.252 20 5 CDBDRO COc1cc(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000362072109 159059522 /nfs/dbraw/zinc/05/95/22/159059522.db2.gz KORGDFQEMLHZOP-PWSUYJOCSA-N 1 0 280.324 1.664 20 5 CDBDRO CN(C)C(=O)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000043448391 175049267 /nfs/dbraw/zinc/04/92/67/175049267.db2.gz LOFMFSRIKHNHSI-UHFFFAOYSA-N 1 0 265.313 1.553 20 5 CDBDRO Cc1nn(C)c(NC[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000044563295 175206547 /nfs/dbraw/zinc/20/65/47/175206547.db2.gz GQEBTXJULRHKIT-JTQLQIEISA-N 1 0 267.333 1.533 20 5 CDBDRO COc1ccc(C[NH2+][C@H](C)C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000049099262 175463904 /nfs/dbraw/zinc/46/39/04/175463904.db2.gz DGTNXDHFCFLAIH-SECBINFHSA-N 1 0 281.312 1.170 20 5 CDBDRO CC(C)(O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000070939785 176014228 /nfs/dbraw/zinc/01/42/28/176014228.db2.gz GQTYGFSZRCGPHW-UHFFFAOYSA-N 1 0 293.367 1.483 20 5 CDBDRO CS(=O)(=O)c1ccc(N[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000071397744 176151503 /nfs/dbraw/zinc/15/15/03/176151503.db2.gz NZBIUXLSSDXNIG-SECBINFHSA-N 1 0 299.352 1.162 20 5 CDBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332727457 287362494 /nfs/dbraw/zinc/36/24/94/287362494.db2.gz SPTHPAVPQFUGJI-NXEZZACHSA-N 1 0 252.318 1.949 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]([NH+](C)C)C1 ZINC000360950033 424599216 /nfs/dbraw/zinc/59/92/16/424599216.db2.gz WAQGQSPUNHBNJM-LLVKDONJSA-N 1 0 281.360 1.650 20 5 CDBDRO COC[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000265842782 270312997 /nfs/dbraw/zinc/31/29/97/270312997.db2.gz WXWWMKSTAJQXDN-LBPRGKRZSA-N 1 0 280.324 1.942 20 5 CDBDRO CC(C)[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1C ZINC000487950352 270398274 /nfs/dbraw/zinc/39/82/74/270398274.db2.gz GRVJTRDUUKAYRW-LLVKDONJSA-N 1 0 281.360 1.100 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC([C@@H](C)[NH3+])CC1 ZINC000091558636 273782398 /nfs/dbraw/zinc/78/23/98/273782398.db2.gz KROCRFGUZCOSEF-SECBINFHSA-N 1 0 281.360 1.683 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N[C@@H](C)C[NH+](C)C)c1 ZINC000168969592 274118677 /nfs/dbraw/zinc/11/86/77/274118677.db2.gz QNJCIFYWPMIASX-VIFPVBQESA-N 1 0 253.302 1.965 20 5 CDBDRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000411375115 274222973 /nfs/dbraw/zinc/22/29/73/274222973.db2.gz OSYMLQDGYIWQLJ-LEWSCRJBSA-N 1 0 291.351 1.765 20 5 CDBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000105790519 274271418 /nfs/dbraw/zinc/27/14/18/274271418.db2.gz WQVXUKHIDFMIPT-WDEREUQCSA-N 1 0 297.330 1.625 20 5 CDBDRO CCC[NH+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000341342611 276012983 /nfs/dbraw/zinc/01/29/83/276012983.db2.gz LKXCFVGQOQYUEH-UHFFFAOYSA-N 1 0 292.339 1.226 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000277605409 276071103 /nfs/dbraw/zinc/07/11/03/276071103.db2.gz PEJHAADVJAZNJC-UHFFFAOYSA-N 1 0 281.312 1.285 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000048411458 276187015 /nfs/dbraw/zinc/18/70/15/276187015.db2.gz KEFYZGDGFMLHQF-NSHDSACASA-N 1 0 277.324 1.809 20 5 CDBDRO CNC(=O)[C@H](C)C[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000267048105 277248546 /nfs/dbraw/zinc/24/85/46/277248546.db2.gz FNAHROGCHPOXCJ-GHMZBOCLSA-N 1 0 279.340 1.970 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(OC)c1 ZINC000133333779 277279140 /nfs/dbraw/zinc/27/91/40/277279140.db2.gz QUHATISJCQOZJA-NSHDSACASA-N 1 0 265.313 1.792 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000261723991 277292450 /nfs/dbraw/zinc/29/24/50/277292450.db2.gz LACGSLQGZNPZBW-VIFPVBQESA-N 1 0 283.353 1.411 20 5 CDBDRO COC(=O)COC[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000295475050 277323985 /nfs/dbraw/zinc/32/39/85/277323985.db2.gz RUJJBFWKZOCRPF-QWRGUYRKSA-N 1 0 296.323 1.824 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000414175868 277671965 /nfs/dbraw/zinc/67/19/65/277671965.db2.gz CYCQSELNVXDRBJ-SOUVJXGZSA-N 1 0 292.335 1.976 20 5 CDBDRO C[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])[NH+](C)C ZINC000272632157 278278419 /nfs/dbraw/zinc/27/84/19/278278419.db2.gz AMJVJTSUOAXMEI-QMMMGPOBSA-N 1 0 267.289 1.061 20 5 CDBDRO Cc1cccc(C(=O)NC[C@@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000053253350 278911897 /nfs/dbraw/zinc/91/18/97/278911897.db2.gz CIISVDJNNZSVCO-JTQLQIEISA-N 1 0 263.297 1.385 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000261574471 279114587 /nfs/dbraw/zinc/11/45/87/279114587.db2.gz BEKMWENSVXZEAX-RDDDGLTNSA-N 1 0 267.260 1.296 20 5 CDBDRO C[C@H](C[NH3+])N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000430940143 279293213 /nfs/dbraw/zinc/29/32/13/279293213.db2.gz NYYYIGJHCMGGIJ-SNVBAGLBSA-N 1 0 253.302 1.253 20 5 CDBDRO C[C@H](CS(C)(=O)=O)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000081900813 279364550 /nfs/dbraw/zinc/36/45/50/279364550.db2.gz GYXNHGNPFYDKDU-SNVBAGLBSA-N 1 0 286.353 1.160 20 5 CDBDRO C[C@H]([NH3+])C1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000110651855 279394238 /nfs/dbraw/zinc/39/42/38/279394238.db2.gz YMMUVYBKFAUYNU-VIFPVBQESA-N 1 0 292.339 1.257 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000127256812 279525997 /nfs/dbraw/zinc/52/59/97/279525997.db2.gz BXZXSJZWTILKJM-AYLMVEPYSA-N 1 0 277.324 1.580 20 5 CDBDRO C[C@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000069142283 279536363 /nfs/dbraw/zinc/53/63/63/279536363.db2.gz RBWQIKGNCUIHCY-JQWIXIFHSA-N 1 0 298.364 1.823 20 5 CDBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H]1OC ZINC000252777483 279873179 /nfs/dbraw/zinc/87/31/79/279873179.db2.gz KWAJXYJYOPTYLW-IACUBPJLSA-N 1 0 280.324 1.877 20 5 CDBDRO Cc1c(NC(=O)N2CC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000414703581 280243387 /nfs/dbraw/zinc/24/33/87/280243387.db2.gz MGBZMBAGYXECMX-SECBINFHSA-N 1 0 264.285 1.468 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251573319 280510942 /nfs/dbraw/zinc/51/09/42/280510942.db2.gz CCFZKFNAMNNYNF-GGCNOCFKSA-N 1 0 289.335 1.804 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@H](C[NH3+])C2CC2)c1[N+](=O)[O-] ZINC000237659839 280515495 /nfs/dbraw/zinc/51/54/95/280515495.db2.gz XWEXWSPZAYKQSI-LLVKDONJSA-N 1 0 281.287 1.509 20 5 CDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C1CC[NH2+]CC1 ZINC000269089139 280548044 /nfs/dbraw/zinc/54/80/44/280548044.db2.gz KAHYBPRGVVUTHD-UHFFFAOYSA-N 1 0 297.742 1.864 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278564294 281022667 /nfs/dbraw/zinc/02/26/67/281022667.db2.gz BQMCJEQCIVPUAQ-TVYUQYBPSA-N 1 0 266.297 1.002 20 5 CDBDRO CC(C)COC[C@@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000521228197 281070366 /nfs/dbraw/zinc/07/03/66/281070366.db2.gz PAZKJDTXKHWMNX-HNNXBMFYSA-N 1 0 296.367 1.760 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)CC(N)=O ZINC000551679785 290012226 /nfs/dbraw/zinc/01/22/26/290012226.db2.gz CANFISBQHBNVEA-NXEZZACHSA-N 1 0 265.313 1.818 20 5 CDBDRO CC[NH2+]CCCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000557186362 290333963 /nfs/dbraw/zinc/33/39/63/290333963.db2.gz FORKROSUKGQEOX-UHFFFAOYSA-N 1 0 294.355 1.436 20 5 CDBDRO [NH3+][C@H]1C[C@@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000567272993 293750598 /nfs/dbraw/zinc/75/05/98/293750598.db2.gz YUWKLXUHOSZAPG-TXEJJXNPSA-N 1 0 289.335 1.823 20 5 CDBDRO CCNC(=O)[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567486959 293794781 /nfs/dbraw/zinc/79/47/81/293794781.db2.gz ZEJJNUAPYVKMMN-JOYOIKCWSA-N 1 0 277.324 1.696 20 5 CDBDRO C[C@H](C(=O)NCC[NH+]1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000568818716 294104807 /nfs/dbraw/zinc/10/48/07/294104807.db2.gz IDIARJGZYMOQQM-NSHDSACASA-N 1 0 277.324 1.520 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000571921754 294523806 /nfs/dbraw/zinc/52/38/06/294523806.db2.gz BSIYPCOZIMCFHJ-MNOVXSKESA-N 1 0 279.340 1.769 20 5 CDBDRO [NH3+]C[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000165602391 295276209 /nfs/dbraw/zinc/27/62/09/295276209.db2.gz ABBLFTAWZJRZQT-QMMMGPOBSA-N 1 0 299.714 1.048 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373061497 304568825 /nfs/dbraw/zinc/56/88/25/304568825.db2.gz ZNRKYKYKVPYJLL-PWSUYJOCSA-N 1 0 275.308 1.419 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCSC2)c1 ZINC000563806110 316372964 /nfs/dbraw/zinc/37/29/64/316372964.db2.gz OBLZSPWNWMTDFV-PWSUYJOCSA-N 1 0 298.364 1.430 20 5 CDBDRO COc1ccc(CNC(=O)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000566971224 316713536 /nfs/dbraw/zinc/71/35/36/316713536.db2.gz IILXRXIUSSZWOB-UHFFFAOYSA-N 1 0 281.312 1.349 20 5 CDBDRO COC[C@@H](O)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575881614 317033985 /nfs/dbraw/zinc/03/39/85/317033985.db2.gz XFHRNXOXWFLUJJ-GXFFZTMASA-N 1 0 280.324 1.569 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000381752282 323631843 /nfs/dbraw/zinc/63/18/43/323631843.db2.gz NQILJZYNTZDGFN-HTQZYQBOSA-N 1 0 287.341 1.146 20 5 CDBDRO Cc1nc(N2CC[C@@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC000579934085 324318037 /nfs/dbraw/zinc/31/80/37/324318037.db2.gz ODPUDZIGGNDCLT-AWEZNQCLSA-N 1 0 276.340 1.878 20 5 CDBDRO CC(=O)N1CC([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000581498635 324765662 /nfs/dbraw/zinc/76/56/62/324765662.db2.gz FNLKIGVFOJTRSL-WDZFZDKYSA-N 1 0 289.335 1.818 20 5 CDBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000582762489 325038024 /nfs/dbraw/zinc/03/80/24/325038024.db2.gz JYTJWLRCFMAXCC-ZJUUUORDSA-N 1 0 295.343 1.168 20 5 CDBDRO CC(C)n1cnc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168999878 1161996782 /nfs/dbraw/zinc/99/67/82/1161996782.db2.gz VZNFROSMYMVYGJ-VXGBXAGGSA-N 1 0 266.345 1.999 20 5 CDBDRO C[C@@H](O)CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000789305302 1162083529 /nfs/dbraw/zinc/08/35/29/1162083529.db2.gz JWZHMFVRSTZCNG-CYBMUJFWSA-N 1 0 293.367 1.878 20 5 CDBDRO O=C(NCC[NH+]1CCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000177277670 534326988 /nfs/dbraw/zinc/32/69/88/534326988.db2.gz QPULWSDFFAAZJJ-UHFFFAOYSA-N 1 0 281.287 1.560 20 5 CDBDRO Cc1nc(NC2CC[NH+](C(C)C)CC2)ncc1[N+](=O)[O-] ZINC000296590335 534486933 /nfs/dbraw/zinc/48/69/33/534486933.db2.gz RWKPZHACEYYVPS-UHFFFAOYSA-N 1 0 279.344 1.978 20 5 CDBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CC1 ZINC000338424453 521071813 /nfs/dbraw/zinc/07/18/13/521071813.db2.gz OKXSWMSSJHCACH-UHFFFAOYSA-N 1 0 266.301 1.137 20 5 CDBDRO COc1cc(C(=O)NCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000143343380 522109609 /nfs/dbraw/zinc/10/96/09/522109609.db2.gz AASLHLRBUOTKQG-UHFFFAOYSA-N 1 0 293.323 1.429 20 5 CDBDRO CCc1nn(C)c(N(CC)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000340899816 522669002 /nfs/dbraw/zinc/66/90/02/522669002.db2.gz KAVHDUDAQRBQLW-UHFFFAOYSA-N 1 0 283.376 1.669 20 5 CDBDRO C[C@H]1C[NH2+]CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000067799254 524692365 /nfs/dbraw/zinc/69/23/65/524692365.db2.gz DOBWTTVRFOYNGW-NSHDSACASA-N 1 0 265.313 1.267 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365367702 525561765 /nfs/dbraw/zinc/56/17/65/525561765.db2.gz DPMKHQBWCMIYCZ-SMDDNHRTSA-N 1 0 289.335 1.727 20 5 CDBDRO O=C(CCC1CC[NH2+]CC1)NCc1cccc([N+](=O)[O-])c1 ZINC000052943229 526411085 /nfs/dbraw/zinc/41/10/85/526411085.db2.gz LGQCUXZHFZRZAP-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417141699 536450872 /nfs/dbraw/zinc/45/08/72/536450872.db2.gz RTOOOULPGVQPOX-MNOVXSKESA-N 1 0 294.355 1.811 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3CCCCO3)CC2)n1 ZINC000365821902 527407347 /nfs/dbraw/zinc/40/73/47/527407347.db2.gz RPLPZVDJOUCEAR-CYBMUJFWSA-N 1 0 294.355 1.997 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CCO)CCCCC1 ZINC000353618255 527489969 /nfs/dbraw/zinc/48/99/69/527489969.db2.gz AUFOVPRZLJPUPS-UHFFFAOYSA-N 1 0 282.344 1.503 20 5 CDBDRO CCC[C@](C)([NH3+])C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423825221 535760397 /nfs/dbraw/zinc/76/03/97/535760397.db2.gz KPIROHNZFXANRN-AWEZNQCLSA-N 1 0 292.339 1.392 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CCC([NH3+])CC1 ZINC000261590179 535969991 /nfs/dbraw/zinc/96/99/91/535969991.db2.gz LCSCMRHASKIIJH-UHFFFAOYSA-N 1 0 267.333 1.801 20 5 CDBDRO CCc1nn(C)c(NC[C@@]2(COC)CCC[NH2+]2)c1[N+](=O)[O-] ZINC000261603509 536181951 /nfs/dbraw/zinc/18/19/51/536181951.db2.gz CHENRAVZPOMSCR-CYBMUJFWSA-N 1 0 297.359 1.071 20 5 CDBDRO COC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000262381842 536665701 /nfs/dbraw/zinc/66/57/01/536665701.db2.gz XZBURFVIDWNYMG-GXSJLCMTSA-N 1 0 281.312 1.054 20 5 CDBDRO Cc1noc(CN2CC[C@@H]([NH+](C)C)[C@H]2C)c1[N+](=O)[O-] ZINC000931036417 617584217 /nfs/dbraw/zinc/58/42/17/617584217.db2.gz FTPDWGKHXGTEEU-NXEZZACHSA-N 1 0 268.317 1.416 20 5 CDBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000892720829 617648668 /nfs/dbraw/zinc/64/86/68/617648668.db2.gz GKFOSVQYRRLOSQ-LLVKDONJSA-N 1 0 295.339 1.493 20 5 CDBDRO Cn1c(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000892793506 617754618 /nfs/dbraw/zinc/75/46/18/617754618.db2.gz NLMIZZMLZOBLQT-AWEZNQCLSA-N 1 0 292.339 1.147 20 5 CDBDRO CO[C@@H]1CCOC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000934039504 617864125 /nfs/dbraw/zinc/86/41/25/617864125.db2.gz UNRVHXPDBPFQES-HZSPNIEDSA-N 1 0 296.323 1.022 20 5 CDBDRO C[N@@H+]1C[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000893935599 618195559 /nfs/dbraw/zinc/19/55/59/618195559.db2.gz RDJJWBKWVWSIHN-GZMMTYOYSA-N 1 0 266.276 1.269 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@H]2C[N@H+](C)CCN2C)n1 ZINC000895246321 619491655 /nfs/dbraw/zinc/49/16/55/619491655.db2.gz MYMWFGPOLLPAAN-DGCLKSJQSA-N 1 0 293.371 1.344 20 5 CDBDRO C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895246892 619493339 /nfs/dbraw/zinc/49/33/39/619493339.db2.gz QXOUJWOLVXHDEZ-PWSUYJOCSA-N 1 0 279.344 1.036 20 5 CDBDRO O=[N+]([O-])CCNC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000899859307 622486449 /nfs/dbraw/zinc/48/64/49/622486449.db2.gz IWPCIPHMSSSMAL-NSHDSACASA-N 1 0 269.370 1.751 20 5 CDBDRO COc1ccccc1[C@@H](C[NH2+]CC[N+](=O)[O-])N1CCCC1 ZINC000899860854 622487876 /nfs/dbraw/zinc/48/78/76/622487876.db2.gz VRPVFGMJJPZUEY-CQSZACIVSA-N 1 0 293.367 1.698 20 5 CDBDRO O=[N+]([O-])CC[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000899865802 622498665 /nfs/dbraw/zinc/49/86/65/622498665.db2.gz JPCQZNDRMZYUEW-UHFFFAOYSA-N 1 0 260.297 1.298 20 5 CDBDRO O=[N+]([O-])CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000905145061 626656562 /nfs/dbraw/zinc/65/65/62/626656562.db2.gz IICVXWNMNHKAEM-UHFFFAOYSA-N 1 0 255.362 1.650 20 5 CDBDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+]CC[N+](=O)[O-])C2)c1 ZINC000905148754 626659376 /nfs/dbraw/zinc/65/93/76/626659376.db2.gz PGKNJOVWSNHIKE-LLVKDONJSA-N 1 0 295.339 1.149 20 5 CDBDRO C[N@H+](Cc1ccccc1)[C@@H](CNCC[N+](=O)[O-])C1CC1 ZINC000905219939 626698154 /nfs/dbraw/zinc/69/81/54/626698154.db2.gz VHJJMDUILKFCQL-HNNXBMFYSA-N 1 0 277.368 1.763 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C/C=C/Cl)c1 ZINC000905708724 626935149 /nfs/dbraw/zinc/93/51/49/626935149.db2.gz SJKYZTCUZJJJDN-DGXRNCNBSA-N 1 0 256.689 1.970 20 5 CDBDRO Cc1c(NC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cccc1[N+](=O)[O-] ZINC000911954912 629678625 /nfs/dbraw/zinc/67/86/25/629678625.db2.gz AECGYJFWHPDCDD-HOSYDEDBSA-N 1 0 275.308 1.982 20 5 CDBDRO CC1(C)CN(CC[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000929531476 630671064 /nfs/dbraw/zinc/67/10/64/630671064.db2.gz RNLVVZDHKQVHJF-UHFFFAOYSA-N 1 0 277.368 1.860 20 5 CDBDRO CC(C)[C@H](CO)[N@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000929796400 631076090 /nfs/dbraw/zinc/07/60/90/631076090.db2.gz LHFUBFQAPNEBQR-AWEZNQCLSA-N 1 0 266.341 1.782 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000888278509 631739731 /nfs/dbraw/zinc/73/97/31/631739731.db2.gz WVSBGZMYMAIMQS-SNVBAGLBSA-N 1 0 296.302 1.950 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]C2(C)COC2)c([N+](=O)[O-])c1 ZINC001170297214 1162328008 /nfs/dbraw/zinc/32/80/08/1162328008.db2.gz MESZCEYAYODISA-JTQLQIEISA-N 1 0 280.324 1.913 20 5 CDBDRO COc1ccc(C[C@@H](C)N2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001170310992 1162334168 /nfs/dbraw/zinc/33/41/68/1162334168.db2.gz YAPMBTOYDQHTSY-DGCLKSJQSA-N 1 0 293.367 1.958 20 5 CDBDRO COc1ccc(C[C@@H](C)N2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001170310994 1162334179 /nfs/dbraw/zinc/33/41/79/1162334179.db2.gz YAPMBTOYDQHTSY-YPMHNXCESA-N 1 0 293.367 1.958 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2COC[C@@H]2F)c([N+](=O)[O-])c1 ZINC001170328088 1162337868 /nfs/dbraw/zinc/33/78/68/1162337868.db2.gz UUKHPZWYGKMJNV-XDTLVQLUSA-N 1 0 298.314 1.861 20 5 CDBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170340003 1162346742 /nfs/dbraw/zinc/34/67/42/1162346742.db2.gz CGAZVPQIYJDPDB-RYUDHWBXSA-N 1 0 294.351 1.849 20 5 CDBDRO Cc1cc(Cl)nc(N2CC[C@@](F)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001157812653 1162443271 /nfs/dbraw/zinc/44/32/71/1162443271.db2.gz DROKEISRWQKTGF-LLVKDONJSA-N 1 0 288.710 1.829 20 5 CDBDRO CN(CC[NH3+])CCNc1cc(F)cc(F)c1[N+](=O)[O-] ZINC001170501776 1162660129 /nfs/dbraw/zinc/66/01/29/1162660129.db2.gz BBYFSVFQUJDUOT-UHFFFAOYSA-N 1 0 274.271 1.175 20 5 CDBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC001158178215 1162760070 /nfs/dbraw/zinc/76/00/70/1162760070.db2.gz ZOSQJWKRUUGZBR-HTQZYQBOSA-N 1 0 281.272 1.085 20 5 CDBDRO NC(=[NH2+])c1nccn1-c1ccnc2c1cccc2[N+](=O)[O-] ZINC001168420057 1161037797 /nfs/dbraw/zinc/03/77/97/1161037797.db2.gz NOAWMGURBGLXEY-UHFFFAOYSA-N 1 0 282.263 1.613 20 5 CDBDRO O=C(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)NCc1ccccc1 ZINC001168967938 1161996095 /nfs/dbraw/zinc/99/60/95/1161996095.db2.gz UVCMRXXILRBHFG-ZIAGYGMSSA-N 1 0 291.351 1.338 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2nncs2)C1 ZINC001168999104 1161997115 /nfs/dbraw/zinc/99/71/15/1161997115.db2.gz RYWGNXFVHRNMRV-DTWKUNHWSA-N 1 0 256.331 1.116 20 5 CDBDRO CC(C)(Cn1cc(-c2cccc(C[NH3+])c2)nn1)[N+](=O)[O-] ZINC000864642401 1164568593 /nfs/dbraw/zinc/56/85/93/1164568593.db2.gz NSMFVLCTGKLXLP-UHFFFAOYSA-N 1 0 275.312 1.459 20 5 CDBDRO C[C@@H](NC(=O)C[C@@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000123765794 1165339968 /nfs/dbraw/zinc/33/99/68/1165339968.db2.gz URIMIUOGPQKPDH-NOZJJQNGSA-N 1 0 277.324 1.899 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cc(N[C@H]2COCCC23C[NH2+]C3)n1 ZINC001155461661 1167180410 /nfs/dbraw/zinc/18/04/10/1167180410.db2.gz KYWRCGHGNCMVGF-VIFPVBQESA-N 1 0 298.730 1.434 20 5 CDBDRO Cc1cnc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)c([N+](=O)[O-])c1 ZINC001155514955 1167206550 /nfs/dbraw/zinc/20/65/50/1167206550.db2.gz NSSRQIFMAIJPPE-NQBHXWOUSA-N 1 0 292.339 1.335 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@]23C[NH2+][C@@H](CO2)C3)n1 ZINC001155543970 1167224308 /nfs/dbraw/zinc/22/43/08/1167224308.db2.gz WPSQZYVFWIEHNC-ZWNOBZJWSA-N 1 0 278.312 1.149 20 5 CDBDRO C[C@@]([NH3+])(C(=O)NCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC001576085528 1171328907 /nfs/dbraw/zinc/32/89/07/1171328907.db2.gz LAYSMGXFZOHFBK-AWEZNQCLSA-N 1 0 289.291 1.678 20 5 CDBDRO COc1ccc(C(=O)N(C2CC2)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC001579189014 1172112815 /nfs/dbraw/zinc/11/28/15/1172112815.db2.gz XMDGGNLYISPNME-UHFFFAOYSA-N 1 0 291.307 1.180 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC3(C[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC001580875218 1172558272 /nfs/dbraw/zinc/55/82/72/1172558272.db2.gz FIGFJMREFAPLLR-UHFFFAOYSA-N 1 0 288.229 1.418 20 5 CDBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[NH+]1CCCCC1 ZINC001593481756 1174085266 /nfs/dbraw/zinc/08/52/66/1174085266.db2.gz KHRQKBMTXYZPAX-UHFFFAOYSA-N 1 0 288.311 1.761 20 5 CDBDRO Cc1cnc(N[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000133584271 1175806141 /nfs/dbraw/zinc/80/61/41/1175806141.db2.gz VCFUJFSGNYPJMK-NSHDSACASA-N 1 0 262.313 1.804 20 5 CDBDRO CC[C@]1(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000136481339 1175828581 /nfs/dbraw/zinc/82/85/81/1175828581.db2.gz OVVARNNGBSFVAX-AWEZNQCLSA-N 1 0 293.323 1.932 20 5 CDBDRO CCN1CCC[C@@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158612197 1178224660 /nfs/dbraw/zinc/22/46/60/1178224660.db2.gz KEZAMEPIXLHPOM-CABCVRRESA-N 1 0 293.367 1.702 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000401308545 1186410454 /nfs/dbraw/zinc/41/04/54/1186410454.db2.gz UMXYIJUXMPRIFD-LPEHRKFASA-N 1 0 280.328 1.144 20 5 CDBDRO O=[N+]([O-])c1ccnc(N2CC3(C2)CC[N@H+](CC2CC2)C3)c1 ZINC001164766343 721279454 /nfs/dbraw/zinc/27/94/54/721279454.db2.gz DQEKMYUXAKGGKQ-UHFFFAOYSA-N 1 0 288.351 1.912 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000591144211 721889402 /nfs/dbraw/zinc/88/94/02/721889402.db2.gz ULTFGDAGHADSPL-VIFPVBQESA-N 1 0 268.292 1.659 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2N)C1 ZINC001165035979 721895148 /nfs/dbraw/zinc/89/51/48/721895148.db2.gz QNXWISSWLMTPSL-VIFPVBQESA-N 1 0 265.317 1.102 20 5 CDBDRO Nc1cc(N)[nH+]c(SCc2ccc([N+](=O)[O-])c(F)c2)n1 ZINC000094774041 728834599 /nfs/dbraw/zinc/83/45/99/728834599.db2.gz JNCMDYJZZLJCNQ-UHFFFAOYSA-N 1 0 295.299 1.981 20 5 CDBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000839195527 728850624 /nfs/dbraw/zinc/85/06/24/728850624.db2.gz BTQOQUYEAGJRGA-HZMBPMFUSA-N 1 0 290.323 1.713 20 5 CDBDRO C[C@@H]([NH2+]CCN1CCOC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000932176657 728861462 /nfs/dbraw/zinc/86/14/62/728861462.db2.gz LHAWKMOSSIMOQK-SNVBAGLBSA-N 1 0 279.296 1.698 20 5 CDBDRO COC(C)(C)C[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586802 728861963 /nfs/dbraw/zinc/86/19/63/728861963.db2.gz PYTMENYZLBVBHJ-ZDUSSCGKSA-N 1 0 282.340 1.985 20 5 CDBDRO C[NH+](C)CC(C)(C)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000840318111 728866201 /nfs/dbraw/zinc/86/62/01/728866201.db2.gz FTIYFTDVSTZENS-UHFFFAOYSA-N 1 0 277.328 1.995 20 5 CDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843109019 728873953 /nfs/dbraw/zinc/87/39/53/728873953.db2.gz QPCWZLMIXMIUIK-JHJVBQTASA-N 1 0 280.324 1.377 20 5 CDBDRO [NH3+]CCCc1cn(Cc2ccc([N+](=O)[O-])c(F)c2)nn1 ZINC000229838933 728888222 /nfs/dbraw/zinc/88/82/22/728888222.db2.gz CDUPVLQPCUPKFE-UHFFFAOYSA-N 1 0 279.275 1.265 20 5 CDBDRO CC(C)(CCc1noc([C@H]2C[C@@]23CC[NH2+]C3)n1)[N+](=O)[O-] ZINC000823234739 728915701 /nfs/dbraw/zinc/91/57/01/728915701.db2.gz LWACEKFPQAIUBJ-NOZJJQNGSA-N 1 0 280.328 1.525 20 5 CDBDRO C[NH+]1CCC(Nc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865414877 1164643817 /nfs/dbraw/zinc/64/38/17/1164643817.db2.gz HLQLRWKLBNNYAA-UHFFFAOYSA-N 1 0 283.303 1.732 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000886821922 728381931 /nfs/dbraw/zinc/38/19/31/728381931.db2.gz JSYXBIXPLOMFJX-WCQYABFASA-N 1 0 280.328 1.292 20 5 CDBDRO [NH3+][C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[C@H]1F ZINC000852760093 728385866 /nfs/dbraw/zinc/38/58/66/728385866.db2.gz AECPORICSFNIML-GHMZBOCLSA-N 1 0 271.267 1.605 20 5 CDBDRO CN1CCC[C@@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819059806 728386285 /nfs/dbraw/zinc/38/62/85/728386285.db2.gz IFXJHDNHZHDLPG-ZIAGYGMSSA-N 1 0 279.340 1.312 20 5 CDBDRO CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001025636941 728481763 /nfs/dbraw/zinc/48/17/63/728481763.db2.gz JEDDKNSBPXLHSX-NHAGDIPZSA-N 1 0 289.335 1.551 20 5 CDBDRO CC(C)(CCc1noc(C[C@@H]([NH3+])C2CC2)n1)[N+](=O)[O-] ZINC000843232704 728575281 /nfs/dbraw/zinc/57/52/81/728575281.db2.gz AMMBRMDHVDTZAD-SECBINFHSA-N 1 0 268.317 1.337 20 5 CDBDRO Nc1nccc(C(=O)OCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000848787703 728578657 /nfs/dbraw/zinc/57/86/57/728578657.db2.gz RMHIIFUXRLZVQE-UHFFFAOYSA-N 1 0 294.311 1.215 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@H]1CCC[NH2+]1)CC2 ZINC000843494679 728953406 /nfs/dbraw/zinc/95/34/06/728953406.db2.gz MLLOJTBZCHRYDF-GFCCVEGCSA-N 1 0 289.335 1.934 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCCC[C@@H]2O)c1 ZINC000779472352 728953416 /nfs/dbraw/zinc/95/34/16/728953416.db2.gz YOIASEQCIOPWGN-MELADBBJSA-N 1 0 280.324 1.521 20 5 CDBDRO C[N@@H+]1CCCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000891438565 728978554 /nfs/dbraw/zinc/97/85/54/728978554.db2.gz PHRVODWJPXRYLF-UHFFFAOYSA-N 1 0 280.284 1.645 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000092673162 729186035 /nfs/dbraw/zinc/18/60/35/729186035.db2.gz YJDQPKYDVWQABE-LLVKDONJSA-N 1 0 292.339 1.343 20 5 CDBDRO CC[C@@H](CO)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000844256909 729206190 /nfs/dbraw/zinc/20/61/90/729206190.db2.gz NBPRSPFELXCIKJ-NSHDSACASA-N 1 0 295.339 1.592 20 5 CDBDRO O=[N+]([O-])CC[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000930512889 729226630 /nfs/dbraw/zinc/22/66/30/729226630.db2.gz HVNMCUUMVADYKB-CQSZACIVSA-N 1 0 262.309 1.733 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C[C@@H](C)[NH3+] ZINC000863565347 729267364 /nfs/dbraw/zinc/26/73/64/729267364.db2.gz HEQNKDPZOFMNPX-SNVBAGLBSA-N 1 0 280.328 1.121 20 5 CDBDRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929633459 729272160 /nfs/dbraw/zinc/27/21/60/729272160.db2.gz XDNOPTSHJKAOEB-LLVKDONJSA-N 1 0 271.361 1.137 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000931998795 729275516 /nfs/dbraw/zinc/27/55/16/729275516.db2.gz OYFQXNGALBPBHY-NSHDSACASA-N 1 0 279.296 1.185 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@](C)([NH3+])C1 ZINC000873299760 729294705 /nfs/dbraw/zinc/29/47/05/729294705.db2.gz VCQCOUWKFPUSTA-CQSZACIVSA-N 1 0 277.324 1.775 20 5 CDBDRO CC(C)CCNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867949495 729300808 /nfs/dbraw/zinc/30/08/08/729300808.db2.gz AHHYQHRHLWLGHO-AWEZNQCLSA-N 1 0 279.340 1.931 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000850722168 729327245 /nfs/dbraw/zinc/32/72/45/729327245.db2.gz MYWSXCRQXJCAAA-PELKAZGASA-N 1 0 295.314 1.852 20 5 CDBDRO Cc1cc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)ncn1 ZINC000819190045 729346589 /nfs/dbraw/zinc/34/65/89/729346589.db2.gz ZCTRGJWMRPIELJ-AWEZNQCLSA-N 1 0 288.307 1.516 20 5 CDBDRO CC(C)[NH2+]Cc1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000090297016 729399715 /nfs/dbraw/zinc/39/97/15/729399715.db2.gz CDYXSMKGHGIZMA-UHFFFAOYSA-N 1 0 275.312 1.733 20 5 CDBDRO C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000070078609 729460633 /nfs/dbraw/zinc/46/06/33/729460633.db2.gz LRHWYGZEDCYMMX-AOOOYVTPSA-N 1 0 267.304 1.916 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000882493187 729477914 /nfs/dbraw/zinc/47/79/14/729477914.db2.gz ZDZJUEANFYLHJL-LLVKDONJSA-N 1 0 293.323 1.427 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000715540132 729495665 /nfs/dbraw/zinc/49/56/65/729495665.db2.gz PZSJYIBFKCUIRR-NXEZZACHSA-N 1 0 280.328 1.980 20 5 CDBDRO [NH3+]CCCCCC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668465 729502147 /nfs/dbraw/zinc/50/21/47/729502147.db2.gz HCABMEIVZFNRDX-UHFFFAOYSA-N 1 0 265.313 1.730 20 5 CDBDRO COC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776277758 729512639 /nfs/dbraw/zinc/51/26/39/729512639.db2.gz RWAPRIHRONDQEK-CQSZACIVSA-N 1 0 280.324 1.739 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823962564 729519679 /nfs/dbraw/zinc/51/96/79/729519679.db2.gz UNGDOTCLADNPDL-VIFPVBQESA-N 1 0 293.327 1.250 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700626353 729540903 /nfs/dbraw/zinc/54/09/03/729540903.db2.gz OZEKABBUWOVDCG-SECBINFHSA-N 1 0 283.715 1.730 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH3+])C2)c1C ZINC000884005201 729619874 /nfs/dbraw/zinc/61/98/74/729619874.db2.gz XAYVYCJJVAEOJV-LLVKDONJSA-N 1 0 277.324 1.775 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000829015408 729697412 /nfs/dbraw/zinc/69/74/12/729697412.db2.gz IDGHRBVGDDRGSB-BETUJISGSA-N 1 0 293.367 1.795 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCCC[C@@H]2CCO)cc1 ZINC000062350994 729798180 /nfs/dbraw/zinc/79/81/80/729798180.db2.gz QQOSCEATMZWJIW-HIFRSBDPSA-N 1 0 294.351 1.865 20 5 CDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000930560711 729852726 /nfs/dbraw/zinc/85/27/26/729852726.db2.gz NCCXJCHFYBJBIF-LDYMZIIASA-N 1 0 256.327 1.617 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccnc(F)c3[N+](=O)[O-])CC[C@@H]21 ZINC000882700105 729858782 /nfs/dbraw/zinc/85/87/82/729858782.db2.gz SKZABUGIWZGHRH-ZJUUUORDSA-N 1 0 280.303 1.659 20 5 CDBDRO Cc1nn(C)c(NC[C@@H]([NH3+])c2ccccc2)c1[N+](=O)[O-] ZINC000062838596 729893260 /nfs/dbraw/zinc/89/32/60/729893260.db2.gz RFYAFUBNJRAJBR-LLVKDONJSA-N 1 0 275.312 1.749 20 5 CDBDRO Cn1c(C(=O)OCC[C@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000927660271 729902303 /nfs/dbraw/zinc/90/23/03/729902303.db2.gz DUTRJBDDJILANA-LLVKDONJSA-N 1 0 295.339 1.965 20 5 CDBDRO [NH3+][C@H]1C[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000877244300 729926270 /nfs/dbraw/zinc/92/62/70/729926270.db2.gz RGBUWINGVFKCOO-CZMCAQCFSA-N 1 0 297.742 1.644 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[NH3+])c1C ZINC000884274463 729946295 /nfs/dbraw/zinc/94/62/95/729946295.db2.gz NOINCZYBOBACHK-MRVPVSSYSA-N 1 0 251.286 1.289 20 5 CDBDRO C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000879365298 729963553 /nfs/dbraw/zinc/96/35/53/729963553.db2.gz AUWHPMXYHXTEQL-DFBGVHRSSA-N 1 0 294.351 1.721 20 5 CDBDRO [NH3+][C@H]1C[C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000715147518 729981279 /nfs/dbraw/zinc/98/12/79/729981279.db2.gz XDEKXRDXNXZFTG-XWEPSHTISA-N 1 0 267.260 1.201 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](CF)C2)c1 ZINC000880232873 730016103 /nfs/dbraw/zinc/01/61/03/730016103.db2.gz FPIFFUQVYMSQSY-SNVBAGLBSA-N 1 0 256.281 1.473 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(F)c1 ZINC000840250983 730057580 /nfs/dbraw/zinc/05/75/80/730057580.db2.gz GCZSUQOPPOBWCU-MWLCHTKSSA-N 1 0 296.302 1.404 20 5 CDBDRO [NH3+]C1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000091843271 730292496 /nfs/dbraw/zinc/29/24/96/730292496.db2.gz MQJPEAFQUGWVHJ-UHFFFAOYSA-N 1 0 278.312 1.986 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000132286691 730339499 /nfs/dbraw/zinc/33/94/99/730339499.db2.gz VTTBZJAJGTUDCS-NXEZZACHSA-N 1 0 278.312 1.796 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(O)CCOCC1 ZINC001173215774 912299070 /nfs/dbraw/zinc/29/90/70/912299070.db2.gz ZNNSMMDQBRFKSQ-LBPRGKRZSA-N 1 0 294.351 1.657 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CC[C@H]2C1 ZINC001173238327 912366601 /nfs/dbraw/zinc/36/66/01/912366601.db2.gz PJOXEHOHIPRHBU-WFASDCNBSA-N 1 0 275.352 1.916 20 5 CDBDRO C[NH2+]Cc1c(C)nn(-c2ncc([N+](=O)[O-])cc2N)c1C ZINC001167099163 894502442 /nfs/dbraw/zinc/50/24/42/894502442.db2.gz USRSUJGHAJOGFK-UHFFFAOYSA-N 1 0 276.300 1.094 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3nc(Cl)ncc3[N+](=O)[O-])C[C@H]2C1 ZINC000706223031 895198998 /nfs/dbraw/zinc/19/89/98/895198998.db2.gz LBPFABHBHPCTHH-OCAPTIKFSA-N 1 0 283.719 1.036 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2cccc2C[NH3+])c1 ZINC001167595508 896962504 /nfs/dbraw/zinc/96/25/04/896962504.db2.gz BHYIYYOZLFNNMA-UHFFFAOYSA-N 1 0 275.264 1.631 20 5 CDBDRO CO[C@@H]1CCOC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000724880617 897465279 /nfs/dbraw/zinc/46/52/79/897465279.db2.gz SMTYZMIJKAXFSA-ZIAGYGMSSA-N 1 0 280.324 1.531 20 5 CDBDRO COc1cccc(CO[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001217860549 897945393 /nfs/dbraw/zinc/94/53/93/897945393.db2.gz RDAKLDUHYUTYIR-NSHDSACASA-N 1 0 266.297 1.872 20 5 CDBDRO [NH3+]CCc1ccn(-c2ccc3cc([N+](=O)[O-])ccc3n2)n1 ZINC001167726414 899425701 /nfs/dbraw/zinc/42/57/01/899425701.db2.gz FLDIISPYZJXSMH-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO C[NH2+][C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000053201774 899792951 /nfs/dbraw/zinc/79/29/51/899792951.db2.gz YCWPOQNAHOULLG-SNVBAGLBSA-N 1 0 255.343 1.840 20 5 CDBDRO COc1ccnc(NC(=N)SCC[NH3+])c1[N+](=O)[O-] ZINC001167910400 902104922 /nfs/dbraw/zinc/10/49/22/902104922.db2.gz SFCOWWMRSQSFJJ-UHFFFAOYSA-N 1 0 271.302 1.037 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ncc([N+](=O)[O-])cn2)C1 ZINC001226734562 905552822 /nfs/dbraw/zinc/55/28/22/905552822.db2.gz YPOBJSZWVGOECB-SNVBAGLBSA-N 1 0 252.274 1.246 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)nc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168227357 907946066 /nfs/dbraw/zinc/94/60/66/907946066.db2.gz ZVTJFZXQPRPEGD-RQJHMYQMSA-N 1 0 274.683 1.755 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@H](O)C1 ZINC001254538656 936405585 /nfs/dbraw/zinc/40/55/85/936405585.db2.gz YCZRRHLYNZWGGZ-GVXVVHGQSA-N 1 0 264.325 1.886 20 5 CDBDRO C[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H](C)O ZINC000843084319 937111650 /nfs/dbraw/zinc/11/16/50/937111650.db2.gz PJQNWTMUWIXUKJ-SUNKGSAMSA-N 1 0 282.340 1.625 20 5 CDBDRO CN(Cc1nc(CC[NH3+])no1)c1ccccc1[N+](=O)[O-] ZINC000843131695 937116290 /nfs/dbraw/zinc/11/62/90/937116290.db2.gz PJLLRDLDRZDOPT-UHFFFAOYSA-N 1 0 277.284 1.115 20 5 CDBDRO CC(C)(CCc1noc([C@@H]2CC23CC[NH2+]CC3)n1)[N+](=O)[O-] ZINC000843234089 937124717 /nfs/dbraw/zinc/12/47/17/937124717.db2.gz QKLPNRRTNKLXMC-JTQLQIEISA-N 1 0 294.355 1.915 20 5 CDBDRO Cc1cc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])c(N)c([N+](=O)[O-])c1 ZINC000843506062 937157170 /nfs/dbraw/zinc/15/71/70/937157170.db2.gz HWVKIEPVIQMUBB-RKDXNWHRSA-N 1 0 280.328 1.341 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(-n2cc3c(n2)CC[C@H]([NH3+])C3)n1 ZINC001168815910 927447109 /nfs/dbraw/zinc/44/71/09/927447109.db2.gz LZRMPOTZTBGYAL-JTQLQIEISA-N 1 0 273.296 1.300 20 5 CDBDRO Cc1cc(-n2cc3c(n2)CC[C@H]([NH3+])C3)ncc1[N+](=O)[O-] ZINC001168815027 927470091 /nfs/dbraw/zinc/47/00/91/927470091.db2.gz DUQZAOQFXVXETN-JTQLQIEISA-N 1 0 273.296 1.300 20 5 CDBDRO CCOC(=O)[C@@H](N[C@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H](C)CC ZINC001168978341 927565241 /nfs/dbraw/zinc/56/52/41/927565241.db2.gz RFJIARQKNWRUEU-CYDGBPFRSA-N 1 0 286.372 1.999 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](CO)Cc2cccc(F)c2)C1 ZINC001168984766 927572891 /nfs/dbraw/zinc/57/28/91/927572891.db2.gz AGFKVIPSBANORY-SNPRPXQTSA-N 1 0 296.342 1.764 20 5 CDBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ncc(F)cn1 ZINC001168985116 927573030 /nfs/dbraw/zinc/57/30/30/927573030.db2.gz DDFAGJMOQDHSSY-KKZNHRDASA-N 1 0 268.292 1.712 20 5 CDBDRO [NH3+]C[C@@H]1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc21 ZINC001168985325 927575886 /nfs/dbraw/zinc/57/58/86/927575886.db2.gz DHZFOYWUIJDCNH-UPJWGTAASA-N 1 0 275.352 1.994 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccco2)C1 ZINC001168956244 927577388 /nfs/dbraw/zinc/57/73/88/927577388.db2.gz ALRGMKGWDWKINL-MXWKQRLJSA-N 1 0 254.286 1.348 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CC(O)(C(F)(F)F)C2)C1 ZINC001168974693 927599148 /nfs/dbraw/zinc/59/91/48/927599148.db2.gz SLRRTRIUZDKZME-DKEVHCRPSA-N 1 0 282.262 1.477 20 5 CDBDRO CCOC(=O)C[C@H](C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168975192 927599324 /nfs/dbraw/zinc/59/93/24/927599324.db2.gz UNRYHPWFTODVNX-DCAQKATOSA-N 1 0 258.318 1.363 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C[C@@H](CO)c2ccccc2)C1 ZINC001169001222 927605127 /nfs/dbraw/zinc/60/51/27/927605127.db2.gz DRVFTEKEHKWACC-AEGPPILISA-N 1 0 278.352 1.798 20 5 CDBDRO CC(C)C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)N(C)C ZINC001169002219 927605216 /nfs/dbraw/zinc/60/52/16/927605216.db2.gz JJMHYCUCNPJABS-AVGNSLFASA-N 1 0 285.388 1.524 20 5 CDBDRO COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169001963 927605228 /nfs/dbraw/zinc/60/52/28/927605228.db2.gz IQLJPHTUWLUEAJ-QNWHQSFQSA-N 1 0 284.356 1.753 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCOC2CCCC2)C1 ZINC001168986959 927622345 /nfs/dbraw/zinc/62/23/45/927622345.db2.gz GOTJMQHAHJCXFF-VXGBXAGGSA-N 1 0 256.346 1.981 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCN2CCC(F)CC2)C1 ZINC001168988024 927624762 /nfs/dbraw/zinc/62/47/62/927624762.db2.gz MPTUMYAQVKOSAM-WCQYABFASA-N 1 0 273.352 1.455 20 5 CDBDRO CCC(=O)N1CCC(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168990949 927629126 /nfs/dbraw/zinc/62/91/26/927629126.db2.gz FTLJVSHGZGDKNI-ZIAGYGMSSA-N 1 0 297.399 1.670 20 5 CDBDRO CCO[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169027462 927631995 /nfs/dbraw/zinc/63/19/95/927631995.db2.gz PYWNWQKWWFMOSX-YNEHKIRRSA-N 1 0 256.346 1.933 20 5 CDBDRO COC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H]1C ZINC001169034552 927640601 /nfs/dbraw/zinc/64/06/01/927640601.db2.gz HRWAIPKSSFNWCW-YVECIDJPSA-N 1 0 284.356 1.705 20 5 CDBDRO C[N@H+]1C[C@H]2[C@H](C1)CCCN2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169034505 927641999 /nfs/dbraw/zinc/64/19/99/927641999.db2.gz GRBZLPFJZBBCIF-FQUUOJAGSA-N 1 0 267.373 1.458 20 5 CDBDRO CC1(C)C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169036722 927647531 /nfs/dbraw/zinc/64/75/31/927647531.db2.gz PVAUHXTYDALJKX-GHMZBOCLSA-N 1 0 254.330 1.733 20 5 CDBDRO Cn1cnc2c1CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169039225 927649855 /nfs/dbraw/zinc/64/98/55/927649855.db2.gz OGPXDPPJDGSAQD-MNOVXSKESA-N 1 0 264.329 1.224 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(C2)CC(F)(F)CO3)C1 ZINC001169039005 927650112 /nfs/dbraw/zinc/65/01/12/927650112.db2.gz MICJXDADPLHUSI-WOPDTQHZSA-N 1 0 290.310 1.932 20 5 CDBDRO COC(=O)C[N@H+](C1CCCC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039307 927651333 /nfs/dbraw/zinc/65/13/33/927651333.db2.gz PMECEFRTQXNBAN-DGCLKSJQSA-N 1 0 284.356 1.849 20 5 CDBDRO COC(=O)CC[N@H+](C1CC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046878 927666562 /nfs/dbraw/zinc/66/65/62/927666562.db2.gz OCQSDGULMJZLQW-JQWIXIFHSA-N 1 0 270.329 1.459 20 5 CDBDRO CN1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2cccnc21 ZINC001169026224 927666661 /nfs/dbraw/zinc/66/66/61/927666661.db2.gz WADQZAOOLASDJI-OCCSQVGLSA-N 1 0 290.367 1.779 20 5 CDBDRO CC(C)C(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169051961 927668586 /nfs/dbraw/zinc/66/85/86/927668586.db2.gz DRFBSQOGDMWBCP-MGPQQGTHSA-N 1 0 297.399 1.668 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](Oc3ncccn3)C2)C1 ZINC001169050631 927669998 /nfs/dbraw/zinc/66/99/98/927669998.db2.gz CANLJZIUOAFASH-JHJVBQTASA-N 1 0 292.339 1.375 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(-n2cncc2C[C@@H]([NH3+])CO)c1F ZINC001169075718 927694442 /nfs/dbraw/zinc/69/44/42/927694442.db2.gz VZBOVTQLWDDEGH-SECBINFHSA-N 1 0 294.286 1.090 20 5 CDBDRO C[C@H]([NH3+])c1ccn(-c2ccc3c(n2)[nH]cc3[N+](=O)[O-])n1 ZINC001169228251 927831191 /nfs/dbraw/zinc/83/11/91/927831191.db2.gz NPJHLZXBWVTREZ-ZETCQYMHSA-N 1 0 272.268 1.677 20 5 CDBDRO COc1cccc(-n2ccc([C@@H](C)[NH3+])n2)c1[N+](=O)[O-] ZINC001169232682 927846340 /nfs/dbraw/zinc/84/63/40/927846340.db2.gz IKPBJJWIAUEEHU-MRVPVSSYSA-N 1 0 262.269 1.809 20 5 CDBDRO COc1cc(-n2ccc([C@H](C)[NH3+])n2)cnc1[N+](=O)[O-] ZINC001169234512 927847703 /nfs/dbraw/zinc/84/77/03/927847703.db2.gz XSZZVGXCACWOLE-ZETCQYMHSA-N 1 0 263.257 1.204 20 5 CDBDRO CCCN1CC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000853113710 927952714 /nfs/dbraw/zinc/95/27/14/927952714.db2.gz KGLMSIWXGBWPJE-HIFRSBDPSA-N 1 0 293.367 1.702 20 5 CDBDRO CC[C@@]1(C(=O)NCc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000062903220 928538160 /nfs/dbraw/zinc/53/81/60/928538160.db2.gz GCVUQGVFXCCRQC-CQSZACIVSA-N 1 0 277.324 1.601 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000857109088 928664527 /nfs/dbraw/zinc/66/45/27/928664527.db2.gz IGHUMIZEQSVVLV-JTQLQIEISA-N 1 0 294.355 1.866 20 5 CDBDRO O=[N+]([O-])c1c(F)cccc1NCC[N@H+]1CC[C@H](O)C1 ZINC000858866758 928931646 /nfs/dbraw/zinc/93/16/46/928931646.db2.gz GQVOWHLXZVTXSU-VIFPVBQESA-N 1 0 269.276 1.212 20 5 CDBDRO CN(c1ccc2nc[nH]c2c1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC001170059664 929244758 /nfs/dbraw/zinc/24/47/58/929244758.db2.gz QTRVYSDYHGOXEO-UHFFFAOYSA-N 1 0 263.301 1.645 20 5 CDBDRO Cc1c(N[C@@H]2C[NH2+]C[C@@H]2CO)cc(F)cc1[N+](=O)[O-] ZINC001170774212 929924284 /nfs/dbraw/zinc/92/42/84/929924284.db2.gz AKJDWVMGGGILPR-LDYMZIIASA-N 1 0 269.276 1.035 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H]2C[NH2+]C[C@@H]2CO)c2ccncc21 ZINC001170782993 929989149 /nfs/dbraw/zinc/98/91/49/929989149.db2.gz WXKKXFZBINYJBB-RNCFNFMXSA-N 1 0 288.307 1.135 20 5 CDBDRO C[C@H](NC[C@H]1C[NH2+]CCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817981248 930655901 /nfs/dbraw/zinc/65/59/01/930655901.db2.gz HWPPXWBECUGENA-CMPLNLGQSA-N 1 0 294.355 1.206 20 5 CDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000818602591 930732620 /nfs/dbraw/zinc/73/26/20/930732620.db2.gz ODVZEHSZKVPIHS-QGILPKKRSA-N 1 0 293.298 1.424 20 5 CDBDRO CC[C@H](COC)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819089205 930756638 /nfs/dbraw/zinc/75/66/38/930756638.db2.gz HSVXLVIXLCKGFN-YPMHNXCESA-N 1 0 268.313 1.643 20 5 CDBDRO COC(=O)[C@]1(C)CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886039397 930794927 /nfs/dbraw/zinc/79/49/27/930794927.db2.gz KTKZMADMENFYLQ-CYBMUJFWSA-N 1 0 279.296 1.375 20 5 CDBDRO O=C1NCCN1CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000886323877 930860636 /nfs/dbraw/zinc/86/06/36/930860636.db2.gz OPZXAUYLHWDLJT-UHFFFAOYSA-N 1 0 298.730 1.363 20 5 CDBDRO COc1cc(NC[C@@H]2CCCC[NH2+]2)ncc1[N+](=O)[O-] ZINC001160144499 931203488 /nfs/dbraw/zinc/20/34/88/931203488.db2.gz DNQPUVORJBYPII-VIFPVBQESA-N 1 0 266.301 1.552 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000846741453 932123307 /nfs/dbraw/zinc/12/33/07/932123307.db2.gz DATQRUWJKQSLEN-DTWKUNHWSA-N 1 0 278.312 1.129 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC[C@@H]1CCC[NH2+]C[C@@H]1C ZINC001155034999 937624228 /nfs/dbraw/zinc/62/42/28/937624228.db2.gz ZVJPWEPXTZCADP-JQWIXIFHSA-N 1 0 294.355 1.584 20 5 CDBDRO C[C@@H]1C[C@@H](CNc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C[NH2+]1 ZINC001155102246 937635771 /nfs/dbraw/zinc/63/57/71/937635771.db2.gz WDBZQMLTXWTWJV-HTQZYQBOSA-N 1 0 286.719 1.292 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N[C@H]2C[NH+]3CCC2CC3)n1 ZINC001155662789 937661676 /nfs/dbraw/zinc/66/16/76/937661676.db2.gz MMMHGQNALQZMLI-JTQLQIEISA-N 1 0 263.301 1.199 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](CO)CC2CC2)cc1 ZINC001120493464 937803474 /nfs/dbraw/zinc/80/34/74/937803474.db2.gz WKQVXPREPDZXIF-JSGCOSHPSA-N 1 0 280.324 1.379 20 5 CDBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1(CO)CC1 ZINC000796500338 935310385 /nfs/dbraw/zinc/31/03/85/935310385.db2.gz GAROVDABSUHEEY-GFCCVEGCSA-N 1 0 266.297 1.085 20 5 CDBDRO C[C@H](CC[NH+]1CCCC1)OC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC001123463194 936165277 /nfs/dbraw/zinc/16/52/77/936165277.db2.gz HCHNXEYAKZDKPN-LLVKDONJSA-N 1 0 296.327 1.209 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001122244676 937915325 /nfs/dbraw/zinc/91/53/25/937915325.db2.gz DRCOGYWMRGYISF-FPMFFAJLSA-N 1 0 289.335 1.648 20 5 CDBDRO C[C@@H](NC(=O)[C@H]([NH3+])CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001122252832 937915545 /nfs/dbraw/zinc/91/55/45/937915545.db2.gz YXSLIPMSMUDYJL-NOZJJQNGSA-N 1 0 277.324 1.899 20 5 CDBDRO [NH3+]CCc1ccn(-c2nc3ccccc3cc2[N+](=O)[O-])n1 ZINC001156898098 938431004 /nfs/dbraw/zinc/43/10/04/938431004.db2.gz FSRXHOXVYSCHCW-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO [NH3+]CCN(c1cccnc1)c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001158000860 938573687 /nfs/dbraw/zinc/57/36/87/938573687.db2.gz JYNGVRYFYJTJPE-UHFFFAOYSA-N 1 0 298.306 1.963 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1-n1ncc2c1cccc2C[NH3+] ZINC001158313747 938608033 /nfs/dbraw/zinc/60/80/33/938608033.db2.gz XQSUEWMFBWOUJN-UHFFFAOYSA-N 1 0 284.279 1.370 20 5 CDBDRO CC[N@@H+]1CCN(c2cccc([N+](=O)[O-])n2)C(C)(C)C1 ZINC001158562421 938637275 /nfs/dbraw/zinc/63/72/75/938637275.db2.gz BZBVCVKCKNWXLN-UHFFFAOYSA-N 1 0 264.329 1.910 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@H]1C[NH2+]CCO1 ZINC001159490425 938733027 /nfs/dbraw/zinc/73/30/27/938733027.db2.gz WINIQNLYTWJMRA-GXSJLCMTSA-N 1 0 266.301 1.087 20 5 CDBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@@H]2C[NH2+]C[C@H]2CO)c1 ZINC001159681303 938745326 /nfs/dbraw/zinc/74/53/26/938745326.db2.gz CGOGDIVPHHINGC-GXFFZTMASA-N 1 0 288.307 1.135 20 5 CDBDRO Cc1cnc(Nc2ccc(C[NH3+])nc2)c([N+](=O)[O-])c1 ZINC001160396179 938783860 /nfs/dbraw/zinc/78/38/60/938783860.db2.gz DLHMDFSLAXJJPH-UHFFFAOYSA-N 1 0 259.269 1.896 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(NCC[C@H]2CCC[N@H+]2C)n1 ZINC001160964351 938851025 /nfs/dbraw/zinc/85/10/25/938851025.db2.gz MMUSOYKIEKFHIJ-SNVBAGLBSA-N 1 0 265.317 1.589 20 5 CDBDRO C[NH+](C)CCCCNc1ccc2ncc([N+](=O)[O-])n2c1 ZINC001161730715 938927527 /nfs/dbraw/zinc/92/75/27/938927527.db2.gz BIPCYQHMMHIKDX-UHFFFAOYSA-N 1 0 277.328 1.996 20 5 CDBDRO C[C@@]1([NH3+])C[C@H](Nc2cnc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001162324610 939023949 /nfs/dbraw/zinc/02/39/49/939023949.db2.gz BHYBEOAEIRMDGT-KTLJEJPDSA-N 1 0 273.296 1.830 20 5 CDBDRO COc1ncnc(N[C@]2(C)CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001162340863 939030918 /nfs/dbraw/zinc/03/09/18/939030918.db2.gz HORMSUCQYRAWBM-GFCCVEGCSA-N 1 0 281.316 1.290 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](Nc2ncnc3[nH]cc([N+](=O)[O-])c32)C1 ZINC001162393300 939042996 /nfs/dbraw/zinc/04/29/96/939042996.db2.gz JXYSOSWNJZUMPH-HTQZYQBOSA-N 1 0 276.300 1.548 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](Nc2cc([N+](=O)[O-])c3nncn3c2)C1 ZINC001162399520 939045274 /nfs/dbraw/zinc/04/52/74/939045274.db2.gz BLMYYTFEGKSXJZ-DTWKUNHWSA-N 1 0 276.300 1.319 20 5 CDBDRO CC[N+](C)(C)Cc1ccccc1NC1(C(N)=O)CC1 ZINC001162549455 939085182 /nfs/dbraw/zinc/08/51/82/939085182.db2.gz SFNWWENYSNRZSJ-UHFFFAOYSA-O 1 0 262.377 1.713 20 5 CDBDRO [NH3+]Cc1ccnn1-c1cc2cccnc2c([N+](=O)[O-])c1 ZINC001162598219 939100267 /nfs/dbraw/zinc/10/02/67/939100267.db2.gz SWWBDYHUYJCTMM-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(N[C@@H]3C=C[C@H]4C[NH2+]C[C@@H]43)cnc2c1 ZINC001162789377 939139052 /nfs/dbraw/zinc/13/90/52/939139052.db2.gz DFTWESHWWVRPOT-ZMLRMANQSA-N 1 0 297.318 1.724 20 5 CDBDRO [NH3+][C@H]1COC[C@H]1Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001162917027 939161068 /nfs/dbraw/zinc/16/10/68/939161068.db2.gz JPHLYMXCRDJPPQ-CMPLNLGQSA-N 1 0 274.280 1.281 20 5 CDBDRO COc1cc(N(C(C)C)C(C)(C)C[NH3+])ncc1[N+](=O)[O-] ZINC001163186532 939221400 /nfs/dbraw/zinc/22/14/00/939221400.db2.gz FMQRKXBTGMTKPO-UHFFFAOYSA-N 1 0 282.344 1.951 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N[C@H](C)C[NH+](C)C ZINC001163769860 939326244 /nfs/dbraw/zinc/32/62/44/939326244.db2.gz BHODYFYHMVLCOR-MRVPVSSYSA-N 1 0 254.290 1.360 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[N@@H+](C(C)C)[C@H](C)C1 ZINC001165199683 939523366 /nfs/dbraw/zinc/52/33/66/939523366.db2.gz HTPTUQWQDUFFJB-LLVKDONJSA-N 1 0 294.355 1.456 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC[C@H]4[NH2+]C[C@H]43)c21 ZINC001165392604 939557423 /nfs/dbraw/zinc/55/74/23/939557423.db2.gz CLYXPYVYCHTXPH-BXKDBHETSA-N 1 0 285.307 1.479 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1-n1ccnc1CC[NH3+] ZINC001166370336 939606290 /nfs/dbraw/zinc/60/62/90/939606290.db2.gz WVSRUGCPHBRHGA-UHFFFAOYSA-N 1 0 290.279 1.068 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC([NH3+])CC2)n1 ZINC001166662137 939623957 /nfs/dbraw/zinc/62/39/57/939623957.db2.gz JJFDBMWWJLTLAR-UHFFFAOYSA-N 1 0 270.720 1.879 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(O[C@H]3CC[NH2+]C3)sc2c1 ZINC001218180513 941042311 /nfs/dbraw/zinc/04/23/11/941042311.db2.gz YXNCEOLDCMMHKA-QMMMGPOBSA-N 1 0 265.294 1.945 20 5 CDBDRO COc1cccc(CCOC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001222318442 941583619 /nfs/dbraw/zinc/58/36/19/941583619.db2.gz LUQZIAYBKKHAOM-CQSZACIVSA-N 1 0 296.387 1.238 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1nc2ccccc2o1 ZINC001222914140 941641328 /nfs/dbraw/zinc/64/13/28/941641328.db2.gz ZASJZCVDYJCDRH-LLVKDONJSA-N 1 0 293.343 1.328 20 5 CDBDRO COCC[NH+]1CCC(Oc2[nH]ccc(=O)c2[N+](=O)[O-])CC1 ZINC001225667680 941896663 /nfs/dbraw/zinc/89/66/63/941896663.db2.gz WLWLSRYIWDXRPT-UHFFFAOYSA-N 1 0 297.311 1.185 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cnc(Cl)c(F)c1 ZINC001225788947 941913090 /nfs/dbraw/zinc/91/30/90/941913090.db2.gz DWJZPMOFCNFGRL-MRVPVSSYSA-N 1 0 291.730 1.237 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(c1)OCCO2 ZINC001226033504 941943815 /nfs/dbraw/zinc/94/38/15/941943815.db2.gz NLEVDLYSHPRBQV-NSHDSACASA-N 1 0 252.334 1.931 20 5 CDBDRO COC(=O)Cc1ccc(OC)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001226373504 941993684 /nfs/dbraw/zinc/99/36/84/941993684.db2.gz QWYTUJGKHKCPNY-GFCCVEGCSA-N 1 0 296.387 1.884 20 5 CDBDRO C[N@@H+]1CCC[C@@H](Oc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227109373 942135178 /nfs/dbraw/zinc/13/51/78/942135178.db2.gz YBDOOOUHGKKZOI-SECBINFHSA-N 1 0 282.256 1.371 20 5 CDBDRO C[N@@H+]1CC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3o2)C1 ZINC001227227709 942152993 /nfs/dbraw/zinc/15/29/93/942152993.db2.gz BZUJNQHCMPPGTD-VIFPVBQESA-N 1 0 263.253 1.819 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2ncc([N+](=O)[O-])c3nc[nH]c32)C1 ZINC001227693267 942205264 /nfs/dbraw/zinc/20/52/64/942205264.db2.gz QOGHQYVPZHATDT-MRVPVSSYSA-N 1 0 277.284 1.339 20 5 CDBDRO CCOCc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001227991231 942253090 /nfs/dbraw/zinc/25/30/90/942253090.db2.gz DJQOINGEVNUCKZ-CQSZACIVSA-N 1 0 296.387 1.586 20 5 CDBDRO CSc1nc(O[C@H](C)C[N+](C)(C)C)cc(=O)[nH]1 ZINC001228095442 942268955 /nfs/dbraw/zinc/26/89/55/942268955.db2.gz SZEXOLVDDOMTBO-MRVPVSSYSA-O 1 0 258.367 1.378 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ncn(-c2cccc(Cl)n2)n1 ZINC001228445275 942316759 /nfs/dbraw/zinc/31/67/59/942316759.db2.gz GTZQLRIJRHGPSV-JTQLQIEISA-N 1 0 296.782 1.789 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2cc[n+]([O-])cc2[N+](=O)[O-])C1 ZINC001229452369 942476518 /nfs/dbraw/zinc/47/65/18/942476518.db2.gz RGPFHMHCGIVNAY-LLVKDONJSA-N 1 0 281.312 1.480 20 5 CDBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229456530 942477336 /nfs/dbraw/zinc/47/73/36/942477336.db2.gz VYQURUGIBNQMCX-GNXNZQSNSA-N 1 0 293.323 1.337 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C(N)=O)c(F)c1 ZINC001229893627 942549936 /nfs/dbraw/zinc/54/99/36/942549936.db2.gz XFHKABSSLSWHQX-VIFPVBQESA-O 1 0 255.313 1.398 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)C1 ZINC001230229008 942592189 /nfs/dbraw/zinc/59/21/89/942592189.db2.gz CIPLVTJBEOWXIW-VIFPVBQESA-N 1 0 291.311 1.728 20 5 CDBDRO CC[NH+]1CCC(Oc2ccnc([N+](=O)[O-])c2)CC1 ZINC001233856359 943674314 /nfs/dbraw/zinc/67/43/14/943674314.db2.gz BRNYZNAYYJXZRR-UHFFFAOYSA-N 1 0 251.286 1.853 20 5 CDBDRO COC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)cc1[N+](=O)[O-] ZINC001234053136 943727401 /nfs/dbraw/zinc/72/74/01/943727401.db2.gz XAIFZRSQSVOSTP-SNVBAGLBSA-N 1 0 297.331 1.855 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(N)nc1Br ZINC001234660703 943931977 /nfs/dbraw/zinc/93/19/77/943931977.db2.gz MKHUPJIUBDVYBR-MRVPVSSYSA-N 1 0 289.197 1.900 20 5 CDBDRO CC[N@H+](CCNc1c(C)cncc1[N+](=O)[O-])C(C)C ZINC001261208172 945995378 /nfs/dbraw/zinc/99/53/78/945995378.db2.gz IOMDUQVXOWOSMM-UHFFFAOYSA-N 1 0 266.345 1.862 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)CF ZINC001254546990 947517431 /nfs/dbraw/zinc/51/74/31/947517431.db2.gz BHJJNWSPTDOCFJ-ONGXEEELSA-N 1 0 256.277 1.446 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCOC[C@](C)(O)C1 ZINC001254552606 947519801 /nfs/dbraw/zinc/51/98/01/947519801.db2.gz NJYPLBPYXRUXMQ-IUODEOHRSA-N 1 0 294.351 1.609 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)C1CC1 ZINC001254548486 947522462 /nfs/dbraw/zinc/52/24/62/947522462.db2.gz MPFUEZQYIGABPK-GWCFXTLKSA-N 1 0 264.325 1.886 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1CO2 ZINC001254559170 947525302 /nfs/dbraw/zinc/52/53/02/947525302.db2.gz JFSSZKGLIMMFEE-WXHSDQCUSA-N 1 0 262.309 1.999 20 5 CDBDRO Cn1cnc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254565237 947528530 /nfs/dbraw/zinc/52/85/30/947528530.db2.gz CINVBBCIIRCZBW-LBPRGKRZSA-N 1 0 272.308 1.585 20 5 CDBDRO CC(C)N1CC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254574770 947532652 /nfs/dbraw/zinc/53/26/52/947532652.db2.gz KXLMUFFMIXCFHN-ZDUSSCGKSA-N 1 0 275.352 1.744 20 5 CDBDRO CO[C@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254593664 947544544 /nfs/dbraw/zinc/54/45/44/947544544.db2.gz NSDUPQNBXAXLPP-KBPBESRZSA-N 1 0 262.309 1.783 20 5 CDBDRO C[N@@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)[C@H]1CCOC1 ZINC001254599001 947544606 /nfs/dbraw/zinc/54/46/06/947544606.db2.gz JDTXXELGYWIBHH-UONOGXRCSA-N 1 0 262.309 1.783 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@H](CO)C1)C2 ZINC001254599483 947550559 /nfs/dbraw/zinc/55/05/59/947550559.db2.gz MDFOAGWGJQMGRG-QMTHXVAHSA-N 1 0 262.309 1.376 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@@H]1CC[NH2+]C[C@@H]1F)C2 ZINC001246088605 947939982 /nfs/dbraw/zinc/93/99/82/947939982.db2.gz VINVEBSBAAIBTI-KWCYVHTRSA-N 1 0 279.315 1.352 20 5 CDBDRO COc1ccc(C[C@@H](C)N2CC[C@](C)([NH3+])C2)c([N+](=O)[O-])c1 ZINC001246532168 948233605 /nfs/dbraw/zinc/23/36/05/948233605.db2.gz UWXVULKMBCTXOU-ABAIWWIYSA-N 1 0 293.367 1.958 20 5 CDBDRO C[C@@H](CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[NH+](C)C ZINC001325364136 953861851 /nfs/dbraw/zinc/86/18/51/953861851.db2.gz VKFYAWUNFRIUOV-JTQLQIEISA-N 1 0 292.339 1.570 20 5 CDBDRO CC(C)[C@@H]([NH3+])C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326323804 954321124 /nfs/dbraw/zinc/32/11/24/954321124.db2.gz PZBJXKGTVDJIOZ-GFCCVEGCSA-N 1 0 263.297 1.420 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC001303798437 956121719 /nfs/dbraw/zinc/12/17/19/956121719.db2.gz BDJRPEISQKOJQJ-GXSJLCMTSA-N 1 0 292.339 1.308 20 5 CDBDRO CC[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C ZINC001307701977 956431082 /nfs/dbraw/zinc/43/10/82/956431082.db2.gz FZTXDPCUULUDKW-VXGBXAGGSA-N 1 0 279.340 1.877 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001318672729 958221971 /nfs/dbraw/zinc/22/19/71/958221971.db2.gz VAPQVVGZUILOQE-NWDGAFQWSA-N 1 0 294.355 1.536 20 5 CDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC[NH+]1CC=CC1 ZINC001318954169 958321832 /nfs/dbraw/zinc/32/18/32/958321832.db2.gz WVVARUBFIOAUAH-VMPITWQZSA-N 1 0 287.319 1.596 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001333671277 958496410 /nfs/dbraw/zinc/49/64/10/958496410.db2.gz PZERBRPBUCGLDU-GHMZBOCLSA-N 1 0 279.344 1.249 20 5 CDBDRO CO[C@H](C)[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001336020668 960157800 /nfs/dbraw/zinc/15/78/00/960157800.db2.gz VITXOMJWAKSYOQ-DMDPSCGWSA-N 1 0 298.339 1.348 20 5 CDBDRO O=C(Nc1ccc(C[NH2+]CC[N+](=O)[O-])cc1)C1CC1 ZINC001336136710 960219422 /nfs/dbraw/zinc/21/94/22/960219422.db2.gz TZULOCLIPGPCTC-UHFFFAOYSA-N 1 0 263.297 1.401 20 5 CDBDRO CCC(O)(CC)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001336763117 960558302 /nfs/dbraw/zinc/55/83/02/960558302.db2.gz MXCKVGGOJSGGLG-CYBMUJFWSA-N 1 0 282.340 1.769 20 5 CDBDRO C[C@H](NC(=O)[C@H]([NH3+])CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001340994448 963227901 /nfs/dbraw/zinc/22/79/01/963227901.db2.gz HQHNJSBIMFKTCE-OIBJUYFYSA-N 1 0 287.266 1.755 20 5 CDBDRO [NH3+][C@H]1C[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C12CCC2 ZINC001341654837 963499375 /nfs/dbraw/zinc/49/93/75/963499375.db2.gz DMKBBIFBPKEDAE-QWRGUYRKSA-N 1 0 293.298 1.734 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001342942312 963866617 /nfs/dbraw/zinc/86/66/17/963866617.db2.gz CTFPMSLPUVVEOC-JQWIXIFHSA-N 1 0 279.340 1.813 20 5 CDBDRO CC[C@H](CO)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001351412809 966931926 /nfs/dbraw/zinc/93/19/26/966931926.db2.gz BGQIDBVSVTVJTQ-SNVBAGLBSA-N 1 0 268.317 1.199 20 5 CDBDRO Cn1c(CC[NH2+]CC[N+](=O)[O-])nc2c1cccc2F ZINC001353287696 967863597 /nfs/dbraw/zinc/86/35/97/967863597.db2.gz PNCDUHRTWBQMEV-UHFFFAOYSA-N 1 0 266.276 1.121 20 5 CDBDRO Cc1cc(NC(=O)CO[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC001515789549 969918013 /nfs/dbraw/zinc/91/80/13/969918013.db2.gz RFYZMJMXJZFYOW-CYBMUJFWSA-N 1 0 293.323 1.610 20 5 CDBDRO CSc1cccc(C(=O)NCC[NH3+])c1[N+](=O)[O-] ZINC001574099387 1170879757 /nfs/dbraw/zinc/87/97/57/1170879757.db2.gz ZWOJBQPNEYGPCC-UHFFFAOYSA-N 1 0 255.299 1.005 20 5 CDBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CCCCC1 ZINC000564797032 365524159 /nfs/dbraw/zinc/52/41/59/365524159.db2.gz MWCNUJDKULKSFL-UHFFFAOYSA-N 1 0 294.311 1.087 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000601184363 342489151 /nfs/dbraw/zinc/48/91/51/342489151.db2.gz LAYVWFRLEWKYGX-MNOVXSKESA-N 1 0 262.313 1.378 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000590403661 342543971 /nfs/dbraw/zinc/54/39/71/342543971.db2.gz LWIMDZYEFQNDKD-RKDXNWHRSA-N 1 0 283.353 1.821 20 5 CDBDRO Cc1ccc(CN2C[C@@H](C[NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000601325861 342554010 /nfs/dbraw/zinc/55/40/10/342554010.db2.gz GMJZEHCDMZTRKV-DGCLKSJQSA-N 1 0 263.341 1.930 20 5 CDBDRO CCC[N@@H+]1CC[C@H](CNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000590573652 342577192 /nfs/dbraw/zinc/57/71/92/342577192.db2.gz FKXHHSWIOFMOTL-SNVBAGLBSA-N 1 0 279.344 1.138 20 5 CDBDRO CN(CCC[NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000133759197 342069328 /nfs/dbraw/zinc/06/93/28/342069328.db2.gz WDLQUATYQAOEGP-UHFFFAOYSA-N 1 0 252.274 1.407 20 5 CDBDRO CC[N@H+](C)CCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000609045784 342088082 /nfs/dbraw/zinc/08/80/82/342088082.db2.gz LGWCVMNSPUEJJU-UHFFFAOYSA-N 1 0 295.339 1.214 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000609200907 342095798 /nfs/dbraw/zinc/09/57/98/342095798.db2.gz CMVDZJIGADWQKI-ZYHUDNBSSA-N 1 0 277.324 1.724 20 5 CDBDRO O=C1NCCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000590971923 342612307 /nfs/dbraw/zinc/61/23/07/342612307.db2.gz WXQIVONXPCAMDW-LLVKDONJSA-N 1 0 263.297 1.211 20 5 CDBDRO C[NH+]1CC2(C1)CCN(C(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000618921252 349556156 /nfs/dbraw/zinc/55/61/56/349556156.db2.gz QAKUVDKDKKPTEB-UHFFFAOYSA-N 1 0 281.337 1.434 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[NH2+]1 ZINC000591348162 342626907 /nfs/dbraw/zinc/62/69/07/342626907.db2.gz AYBYTAHXOCQRQK-GFCCVEGCSA-N 1 0 292.339 1.536 20 5 CDBDRO Cc1cnc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])c1 ZINC000591437448 342631867 /nfs/dbraw/zinc/63/18/67/342631867.db2.gz HJOLNMLUAAXXFH-WDEREUQCSA-N 1 0 262.313 1.486 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000591361282 342628431 /nfs/dbraw/zinc/62/84/31/342628431.db2.gz QURAEBPOOZJEGP-SNVBAGLBSA-N 1 0 280.328 1.126 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000591361367 342628448 /nfs/dbraw/zinc/62/84/48/342628448.db2.gz XJWGEXQIPQIESL-JTQLQIEISA-N 1 0 292.339 1.616 20 5 CDBDRO CC1(C)C[NH2+][C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000591670600 342641241 /nfs/dbraw/zinc/64/12/41/342641241.db2.gz DBEIZGXQZBNSLN-GFCCVEGCSA-N 1 0 292.339 1.121 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CCC[NH3+])c1 ZINC000591679062 342641792 /nfs/dbraw/zinc/64/17/92/342641792.db2.gz OOLDFTLKDYILFK-UHFFFAOYSA-N 1 0 283.353 1.738 20 5 CDBDRO C[C@@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CO1 ZINC000592366049 342689202 /nfs/dbraw/zinc/68/92/02/342689202.db2.gz OTCJJUTZQIWNMM-PWSUYJOCSA-N 1 0 250.298 1.904 20 5 CDBDRO Nc1c(-c2nc([C@H]3CCC[NH2+]3)no2)cccc1[N+](=O)[O-] ZINC000592356706 342687940 /nfs/dbraw/zinc/68/79/40/342687940.db2.gz FYCVLSNLLYYCMT-MRVPVSSYSA-N 1 0 275.268 1.652 20 5 CDBDRO O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CC[NH2+]C1 ZINC000592158488 342670566 /nfs/dbraw/zinc/67/05/66/342670566.db2.gz HIWVTPCCRVHXCE-SECBINFHSA-N 1 0 290.279 1.021 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592475256 342698863 /nfs/dbraw/zinc/69/88/63/342698863.db2.gz FRYNSPYUUYWZNA-FZMZJTMJSA-N 1 0 295.339 1.022 20 5 CDBDRO Cc1c(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cccc1[N+](=O)[O-] ZINC000592476384 342699167 /nfs/dbraw/zinc/69/91/67/342699167.db2.gz SUYJFWLFTDHJRR-GDGBQDQQSA-N 1 0 261.281 1.307 20 5 CDBDRO [NH3+]C1(CC(=O)N2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000592534509 342705524 /nfs/dbraw/zinc/70/55/24/342705524.db2.gz YPRDZLACQZYLMU-UHFFFAOYSA-N 1 0 275.308 1.755 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000592568492 342707212 /nfs/dbraw/zinc/70/72/12/342707212.db2.gz QQDXBBVSRSGNTM-DTWKUNHWSA-N 1 0 281.312 1.459 20 5 CDBDRO C[C@@H]1[C@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000592755274 342729300 /nfs/dbraw/zinc/72/93/00/342729300.db2.gz QLXFTJKOFVDIDO-BXUZGUMPSA-N 1 0 291.351 1.594 20 5 CDBDRO COc1ccc(OCC[N@H+](C)[C@@H](C)CCO)c([N+](=O)[O-])c1 ZINC000593107839 342768783 /nfs/dbraw/zinc/76/87/83/342768783.db2.gz OWECWFFZNZNEBF-NSHDSACASA-N 1 0 298.339 1.685 20 5 CDBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000594389103 342894235 /nfs/dbraw/zinc/89/42/35/342894235.db2.gz FJCRHAKWYUBLFB-UHFFFAOYSA-N 1 0 295.343 1.264 20 5 CDBDRO O=C1NCCCC[C@@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594495379 342914227 /nfs/dbraw/zinc/91/42/27/342914227.db2.gz VPBMNQVXZMBYKB-STQMWFEESA-N 1 0 289.335 1.840 20 5 CDBDRO C[NH+](C)CCCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000600890424 342254763 /nfs/dbraw/zinc/25/47/63/342254763.db2.gz GFUSGXISQGXCQH-UHFFFAOYSA-N 1 0 269.276 1.415 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000092953218 342270473 /nfs/dbraw/zinc/27/04/73/342270473.db2.gz LLLNTMZZCISPNQ-JOYOIKCWSA-N 1 0 263.297 1.209 20 5 CDBDRO C[C@@H](C[NH3+])n1cc(COc2ccccc2[N+](=O)[O-])nn1 ZINC000594652895 342933770 /nfs/dbraw/zinc/93/37/70/342933770.db2.gz QEKOIMJDRWHBIE-VIFPVBQESA-N 1 0 277.284 1.285 20 5 CDBDRO CO[C@H](C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000594716034 342947114 /nfs/dbraw/zinc/94/71/14/342947114.db2.gz GWZMICFNEORNAR-SNVBAGLBSA-N 1 0 281.312 1.548 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000108344079 349736658 /nfs/dbraw/zinc/73/66/58/349736658.db2.gz ZVRWGTSFYSUXSI-LLVKDONJSA-N 1 0 277.324 1.666 20 5 CDBDRO C[C@@H](Cn1cncn1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000595035910 342997999 /nfs/dbraw/zinc/99/79/99/342997999.db2.gz NIGJTGRMYGVNQE-NSHDSACASA-N 1 0 275.312 1.407 20 5 CDBDRO C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000619491836 349746499 /nfs/dbraw/zinc/74/64/99/349746499.db2.gz WEDFJAMPICEXTR-VHSXEESVSA-N 1 0 285.369 1.548 20 5 CDBDRO Cc1noc(CN2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000595291791 343024944 /nfs/dbraw/zinc/02/49/44/343024944.db2.gz NISQWXMZZCLUEY-UHFFFAOYSA-N 1 0 268.317 1.417 20 5 CDBDRO Cc1noc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000595396488 343047643 /nfs/dbraw/zinc/04/76/43/343047643.db2.gz VWYGRIVMPXMGSY-MNOVXSKESA-N 1 0 281.312 1.750 20 5 CDBDRO Cc1ccc(NC(=O)[C@H](C)[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000294978968 199281598 /nfs/dbraw/zinc/28/15/98/199281598.db2.gz GUEUBMKFJIBALF-VIFPVBQESA-N 1 0 263.297 1.982 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000595928805 343183920 /nfs/dbraw/zinc/18/39/20/343183920.db2.gz OWEKTELXBUZEHU-NSHDSACASA-N 1 0 265.313 1.517 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000595967817 343198784 /nfs/dbraw/zinc/19/87/84/343198784.db2.gz WKSJHFDFXUMEQL-LBPRGKRZSA-N 1 0 279.340 1.944 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000595953229 343195231 /nfs/dbraw/zinc/19/52/31/343195231.db2.gz YCYZXQBLVMSXFK-VIFPVBQESA-N 1 0 267.285 1.540 20 5 CDBDRO CC(C)[NH2+][C@@H]1CCCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596098245 343235672 /nfs/dbraw/zinc/23/56/72/343235672.db2.gz JKDRVUQVUUVZNX-SNVBAGLBSA-N 1 0 280.328 1.662 20 5 CDBDRO CS[C@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000596176436 343260797 /nfs/dbraw/zinc/26/07/97/343260797.db2.gz AEEUGKVEFKXBMT-ZJUUUORDSA-N 1 0 298.368 1.177 20 5 CDBDRO CN(CCC[NH+]1CCCC1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596226274 343272298 /nfs/dbraw/zinc/27/22/98/343272298.db2.gz RBVKCSACEBQUOW-UHFFFAOYSA-N 1 0 280.328 1.618 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N(C)CC[NH+]1CCCC1 ZINC000092649975 342415792 /nfs/dbraw/zinc/41/57/92/342415792.db2.gz ULOMLUKILRNTCJ-UHFFFAOYSA-N 1 0 264.329 1.830 20 5 CDBDRO CCc1nn(C)c(N2CC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000094154259 342429972 /nfs/dbraw/zinc/42/99/72/342429972.db2.gz JFOPBQMHMXYPHO-LLVKDONJSA-N 1 0 293.371 1.565 20 5 CDBDRO C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000092456850 342412598 /nfs/dbraw/zinc/41/25/98/342412598.db2.gz AGCXPXYEWKATHG-FVOPLDGLSA-N 1 0 261.325 1.902 20 5 CDBDRO C[NH+](C)C1(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000596969085 343421955 /nfs/dbraw/zinc/42/19/55/343421955.db2.gz AWENWHAITHEYGJ-UHFFFAOYSA-N 1 0 263.297 1.305 20 5 CDBDRO CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000341015437 365744389 /nfs/dbraw/zinc/74/43/89/365744389.db2.gz QRZZXBTYEQGOBX-YPMHNXCESA-N 1 0 250.298 1.798 20 5 CDBDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000228112725 536896033 /nfs/dbraw/zinc/89/60/33/536896033.db2.gz PBLHYCYWQXXGSX-UWVGGRQHSA-N 1 0 268.313 1.852 20 5 CDBDRO Cc1c(CC(=O)NC(C)(C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000457214028 365772375 /nfs/dbraw/zinc/77/23/75/365772375.db2.gz WHNWTNHITMGDAF-UHFFFAOYSA-N 1 0 293.367 1.902 20 5 CDBDRO C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000598646665 343856352 /nfs/dbraw/zinc/85/63/52/343856352.db2.gz WINVFKOECNRMSJ-OLZOCXBDSA-N 1 0 294.351 1.924 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598667204 343862825 /nfs/dbraw/zinc/86/28/25/343862825.db2.gz FVQQDLYWKIZJHK-NHYWBVRUSA-N 1 0 289.335 1.857 20 5 CDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000598668226 343871347 /nfs/dbraw/zinc/87/13/47/343871347.db2.gz QSYBIHSRXRIILN-IUODEOHRSA-N 1 0 289.335 1.477 20 5 CDBDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000342997431 362284773 /nfs/dbraw/zinc/28/47/73/362284773.db2.gz FUALUFYEVRZOJS-SMDDNHRTSA-N 1 0 291.351 1.451 20 5 CDBDRO COC[C@H](O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000231604237 362328866 /nfs/dbraw/zinc/32/88/66/362328866.db2.gz CLZOAXXMPIDAHH-GFCCVEGCSA-N 1 0 254.286 1.082 20 5 CDBDRO Cc1c(NC(=O)NC[C@@H]2COCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000599594865 344088385 /nfs/dbraw/zinc/08/83/85/344088385.db2.gz MJKTYLVEFHEBPZ-SNVBAGLBSA-N 1 0 294.311 1.013 20 5 CDBDRO C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC[NH2+]C1 ZINC000128938144 362358888 /nfs/dbraw/zinc/35/88/88/362358888.db2.gz MGCRJCHWTNLMIL-LBPRGKRZSA-N 1 0 266.301 1.042 20 5 CDBDRO C[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000601589538 344199925 /nfs/dbraw/zinc/19/99/25/344199925.db2.gz GSLYNBVVUUVLGO-SECBINFHSA-N 1 0 283.303 1.661 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000602598955 344503921 /nfs/dbraw/zinc/50/39/21/344503921.db2.gz MAVDGFIZUJEENK-APPZFPTMSA-N 1 0 283.715 1.810 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602484393 344448852 /nfs/dbraw/zinc/44/88/52/344448852.db2.gz OKPGNMKEBYODJC-SSDOTTSWSA-N 1 0 255.249 1.201 20 5 CDBDRO COCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602504177 344456654 /nfs/dbraw/zinc/45/66/54/344456654.db2.gz LIYGOGQYDOXRLH-UHFFFAOYSA-N 1 0 294.355 1.585 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602589234 344479089 /nfs/dbraw/zinc/47/90/89/344479089.db2.gz GFRROBKZXMNPHN-PHIMTYICSA-N 1 0 275.308 1.480 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000602781107 344596288 /nfs/dbraw/zinc/59/62/88/344596288.db2.gz HOYSUBALFFVQSM-UWVGGRQHSA-N 1 0 252.318 1.688 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)C[C@H]1C ZINC000602782726 344598015 /nfs/dbraw/zinc/59/80/15/344598015.db2.gz WHKOLDUVHCGNSC-NXEZZACHSA-N 1 0 252.318 1.830 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(CO)CCCCC1 ZINC000602797214 344587751 /nfs/dbraw/zinc/58/77/51/344587751.db2.gz MJCSFRJJXLLSMW-UHFFFAOYSA-N 1 0 282.344 1.385 20 5 CDBDRO CCCC[N@H+](CCCO)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602806446 344615061 /nfs/dbraw/zinc/61/50/61/344615061.db2.gz SYFAITSHICMOLJ-UHFFFAOYSA-N 1 0 284.360 1.584 20 5 CDBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])CC1CC1 ZINC000602787950 344600434 /nfs/dbraw/zinc/60/04/34/344600434.db2.gz ZTRAXJDYTYUNHB-UHFFFAOYSA-N 1 0 252.318 1.832 20 5 CDBDRO CC[C@]1(CO)CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602814023 344605390 /nfs/dbraw/zinc/60/53/90/344605390.db2.gz BNJFBIUCDOIRBC-CYBMUJFWSA-N 1 0 282.344 1.337 20 5 CDBDRO CC[C@@]1(CO)CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602814025 344605674 /nfs/dbraw/zinc/60/56/74/344605674.db2.gz BNJFBIUCDOIRBC-ZDUSSCGKSA-N 1 0 282.344 1.337 20 5 CDBDRO COC[C@@](C)(CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000602933882 344663112 /nfs/dbraw/zinc/66/31/12/344663112.db2.gz ZDAULNIVWPJULA-GFCCVEGCSA-N 1 0 254.286 1.082 20 5 CDBDRO C[NH2+]C(C)(C)c1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000603223780 344749807 /nfs/dbraw/zinc/74/98/07/344749807.db2.gz ISRBTKMWIDCKDZ-UHFFFAOYSA-N 1 0 293.302 1.828 20 5 CDBDRO CC[NH+]1CCN([C@H](C)CNc2cccnc2[N+](=O)[O-])CC1 ZINC000603856170 344840845 /nfs/dbraw/zinc/84/08/45/344840845.db2.gz WKKFYFWGIVANDE-GFCCVEGCSA-N 1 0 293.371 1.428 20 5 CDBDRO CC(C)[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000603621657 344823130 /nfs/dbraw/zinc/82/31/30/344823130.db2.gz GCHKVAVCBAZUQX-UHFFFAOYSA-N 1 0 282.344 1.393 20 5 CDBDRO CC(C)[NH2+][C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000604539834 344899280 /nfs/dbraw/zinc/89/92/80/344899280.db2.gz LGZFGMYXGLIPEB-NSHDSACASA-N 1 0 264.329 1.957 20 5 CDBDRO CCO[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159841046 345277887 /nfs/dbraw/zinc/27/78/87/345277887.db2.gz CKTIBGNLTFAVKH-ZDUSSCGKSA-N 1 0 295.339 1.257 20 5 CDBDRO O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@@H](CO)C1 ZINC000092763087 345626782 /nfs/dbraw/zinc/62/67/82/345626782.db2.gz HQYSMVPRVJNBRR-SECBINFHSA-N 1 0 252.270 1.115 20 5 CDBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccoc1 ZINC000610485188 346291387 /nfs/dbraw/zinc/29/13/87/346291387.db2.gz WWKSRTTVLKUDNG-UHFFFAOYSA-N 1 0 264.285 1.906 20 5 CDBDRO C[C@@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000539529370 282460678 /nfs/dbraw/zinc/46/06/78/282460678.db2.gz OXPNSVPEMOHYAX-XOIDGJRKSA-N 1 0 298.364 1.631 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC1 ZINC000273294048 192102500 /nfs/dbraw/zinc/10/25/00/192102500.db2.gz GBDUNTQJTXRFBR-SNVBAGLBSA-N 1 0 252.270 1.040 20 5 CDBDRO COc1cc(C[NH2+]C[C@@](C)(O)C2CC2)c([N+](=O)[O-])cc1O ZINC000344414415 362753166 /nfs/dbraw/zinc/75/31/66/362753166.db2.gz YGKPVSPFFKJTKP-CQSZACIVSA-N 1 0 296.323 1.560 20 5 CDBDRO Cc1cc(N2CCC([NH2+]CCO)CC2)c(F)cc1[N+](=O)[O-] ZINC000292171663 136676409 /nfs/dbraw/zinc/67/64/09/136676409.db2.gz AHDKLGMVEGLOPS-UHFFFAOYSA-N 1 0 297.330 1.593 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000067703563 347555706 /nfs/dbraw/zinc/55/57/06/347555706.db2.gz RATSPBZLKWWDBM-NSHDSACASA-N 1 0 275.308 1.561 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[C@H]1[NH3+] ZINC000122569876 347659169 /nfs/dbraw/zinc/65/91/69/347659169.db2.gz WPMAAMUETZIQJS-RKDXNWHRSA-N 1 0 266.301 1.122 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000086467400 179296920 /nfs/dbraw/zinc/29/69/20/179296920.db2.gz FPCOZYXVIWAJCB-WDEREUQCSA-N 1 0 277.324 1.726 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000089106545 179702605 /nfs/dbraw/zinc/70/26/05/179702605.db2.gz GISHZBCHPNSIHG-NOZJJQNGSA-N 1 0 295.314 1.981 20 5 CDBDRO C[C@H](C1CC[NH+](C)CC1)N(C)c1ncc([N+](=O)[O-])cn1 ZINC000274007931 192399686 /nfs/dbraw/zinc/39/96/86/192399686.db2.gz ULZIMILEDVYCFC-SNVBAGLBSA-N 1 0 279.344 1.551 20 5 CDBDRO COc1cc(OC[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000111054845 350381235 /nfs/dbraw/zinc/38/12/35/350381235.db2.gz FIVCLAZLPRDWMA-VIFPVBQESA-N 1 0 252.270 1.592 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364178456 362961178 /nfs/dbraw/zinc/96/11/78/362961178.db2.gz SBPNKSTZTFWHRJ-GXTWGEPZSA-N 1 0 275.308 1.211 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000108903482 186235630 /nfs/dbraw/zinc/23/56/30/186235630.db2.gz BHVNRSQSXSINND-NSHDSACASA-N 1 0 277.324 1.585 20 5 CDBDRO C[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+]1CC(C)C1 ZINC000515865971 362969947 /nfs/dbraw/zinc/96/99/47/362969947.db2.gz AGWCJVZULVLHMF-LBPRGKRZSA-N 1 0 291.351 1.594 20 5 CDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000110992293 186340094 /nfs/dbraw/zinc/34/00/94/186340094.db2.gz YUFVXNOWRIAOAV-SNVBAGLBSA-N 1 0 281.312 1.792 20 5 CDBDRO COCC[C@@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000311286211 350665091 /nfs/dbraw/zinc/66/50/91/350665091.db2.gz ZDRADSXFASSUFR-LBPRGKRZSA-N 1 0 268.313 1.124 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](CC3CC3)C2)s1 ZINC000619695607 350835469 /nfs/dbraw/zinc/83/54/69/350835469.db2.gz RSEALRVHFMARTC-VIFPVBQESA-N 1 0 268.342 1.948 20 5 CDBDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000111265090 186381982 /nfs/dbraw/zinc/38/19/82/186381982.db2.gz KZLFDBWRTXQXGI-GFCCVEGCSA-N 1 0 277.324 1.553 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000111268880 186383637 /nfs/dbraw/zinc/38/36/37/186383637.db2.gz QUWSLVCIRWZWGH-ZYHUDNBSSA-N 1 0 277.324 1.409 20 5 CDBDRO Cn1nncc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000121997969 187009595 /nfs/dbraw/zinc/00/95/95/187009595.db2.gz NZCSYWFMYSBCKZ-UHFFFAOYSA-N 1 0 261.285 1.056 20 5 CDBDRO [NH3+]C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000122214351 187021550 /nfs/dbraw/zinc/02/15/50/187021550.db2.gz ONAPKZLHNVBZGJ-UHFFFAOYSA-N 1 0 267.260 1.297 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000122519432 187036711 /nfs/dbraw/zinc/03/67/11/187036711.db2.gz NCUBHHOSZPGUJQ-UHFFFAOYSA-N 1 0 255.274 1.435 20 5 CDBDRO C[NH2+][C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000123222211 187078386 /nfs/dbraw/zinc/07/83/86/187078386.db2.gz NEIAYWIZQUQMBV-LLVKDONJSA-N 1 0 265.313 1.397 20 5 CDBDRO C[C@@]1(O)CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000123888625 187113465 /nfs/dbraw/zinc/11/34/65/187113465.db2.gz KDKLPUPMEIDIHV-CQSZACIVSA-N 1 0 280.324 1.820 20 5 CDBDRO C[C@@H](CCCC[NH3+])NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000292031957 198139765 /nfs/dbraw/zinc/13/97/65/198139765.db2.gz GXGQUWGVNOJUSO-NSHDSACASA-N 1 0 294.355 1.640 20 5 CDBDRO Cc1ccc(C(=O)NC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000133613680 187696805 /nfs/dbraw/zinc/69/68/05/187696805.db2.gz DYBNALMPXFKLBN-JTQLQIEISA-N 1 0 263.297 1.243 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCSC1 ZINC000152634285 188034315 /nfs/dbraw/zinc/03/43/15/188034315.db2.gz UWMNQDGHSJYPAL-LLVKDONJSA-N 1 0 283.353 1.194 20 5 CDBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000361762932 358475557 /nfs/dbraw/zinc/47/55/57/358475557.db2.gz FRLVAXSDYFEHCN-WDEREUQCSA-N 1 0 268.317 1.339 20 5 CDBDRO COc1cc(C(=O)N[C@H](C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000156734862 188278868 /nfs/dbraw/zinc/27/88/68/188278868.db2.gz MPHWFCDZMBZJCY-SNVBAGLBSA-N 1 0 279.296 1.071 20 5 CDBDRO CCC[C@@H]([NH3+])C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000237006662 363265078 /nfs/dbraw/zinc/26/50/78/363265078.db2.gz BFZAETBZURLRSR-LLVKDONJSA-N 1 0 295.295 1.447 20 5 CDBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000293276453 198584899 /nfs/dbraw/zinc/58/48/99/198584899.db2.gz CGXKWVXSHVNAOD-NSHDSACASA-N 1 0 252.314 1.840 20 5 CDBDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000411931921 363382739 /nfs/dbraw/zinc/38/27/39/363382739.db2.gz IKTOZWABFVBOJE-GFCCVEGCSA-N 1 0 277.324 1.505 20 5 CDBDRO Cc1ccc(C(=O)NCC2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000271872255 191379987 /nfs/dbraw/zinc/37/99/87/191379987.db2.gz LQNFCILOOYNINS-UHFFFAOYSA-N 1 0 289.335 1.895 20 5 CDBDRO CC[NH+](CC)CCCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341253645 357211463 /nfs/dbraw/zinc/21/14/63/357211463.db2.gz DAIHTQXCXDDGDP-UHFFFAOYSA-N 1 0 294.355 1.838 20 5 CDBDRO Cc1cnc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)n1C ZINC000341289429 357221939 /nfs/dbraw/zinc/22/19/39/357221939.db2.gz SOHFOSKNKBCZSS-UHFFFAOYSA-N 1 0 274.324 1.969 20 5 CDBDRO COCC[N@H+](C)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000126346011 357597246 /nfs/dbraw/zinc/59/72/46/357597246.db2.gz LHICRDDZBLEFOP-UHFFFAOYSA-N 1 0 267.329 1.975 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCC[N@H+](C)CCOC ZINC000360955674 357756567 /nfs/dbraw/zinc/75/65/67/357756567.db2.gz XFMGNFPKXJFSPW-UHFFFAOYSA-N 1 0 299.375 1.500 20 5 CDBDRO Cc1cc(C(=O)N2CCC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000135211453 357770027 /nfs/dbraw/zinc/77/00/27/357770027.db2.gz KOCHKMQWDZPHNT-LLVKDONJSA-N 1 0 263.297 1.467 20 5 CDBDRO Cc1cc(C(=O)NC[C@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000135224761 357798583 /nfs/dbraw/zinc/79/85/83/357798583.db2.gz UZTRIEPCKVUAJI-LLVKDONJSA-N 1 0 263.297 1.385 20 5 CDBDRO COc1cc(C[NH2+]CC[C@@H](C)CCO)c([N+](=O)[O-])cc1O ZINC000294671090 199127475 /nfs/dbraw/zinc/12/74/75/199127475.db2.gz ANYKTVVOENGMGD-SNVBAGLBSA-N 1 0 298.339 1.807 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000294703675 199142152 /nfs/dbraw/zinc/14/21/52/199142152.db2.gz AYQDGMKKNKBFGO-LLVKDONJSA-N 1 0 295.339 1.607 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N(C)CC[NH+](C)C ZINC000192642966 358223760 /nfs/dbraw/zinc/22/37/60/358223760.db2.gz WOSYXIXGQHLMQH-UHFFFAOYSA-N 1 0 255.322 1.117 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000192840694 358241259 /nfs/dbraw/zinc/24/12/59/358241259.db2.gz WRVNFKSBPKDLEL-UHFFFAOYSA-N 1 0 293.327 1.141 20 5 CDBDRO CCC[N@H+](CCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000072751461 358290362 /nfs/dbraw/zinc/29/03/62/358290362.db2.gz WMLANEDEYQPIMY-CYBMUJFWSA-N 1 0 298.339 1.039 20 5 CDBDRO CC(C)([NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000236790074 366392983 /nfs/dbraw/zinc/39/29/83/366392983.db2.gz MEPOYSULQFFORY-UHFFFAOYSA-N 1 0 279.340 1.771 20 5 CDBDRO COc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000094339357 366393249 /nfs/dbraw/zinc/39/32/49/366393249.db2.gz OAIPZDGFZFCBNB-MWLCHTKSSA-N 1 0 293.323 1.413 20 5 CDBDRO Cc1c(C[N@@H+]2CC[C@](C)(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000361558433 358319248 /nfs/dbraw/zinc/31/92/48/358319248.db2.gz WVAFGFSPLMTDQU-AWEZNQCLSA-N 1 0 277.324 1.601 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H](C)[NH3+])c1 ZINC000088147724 358357386 /nfs/dbraw/zinc/35/73/86/358357386.db2.gz XQUYOHFYQKQPAR-VIFPVBQESA-N 1 0 251.286 1.370 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000127369728 358385845 /nfs/dbraw/zinc/38/58/45/358385845.db2.gz BLSLNFAHPTVTMF-NXEZZACHSA-N 1 0 265.313 1.777 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000422774870 535427444 /nfs/dbraw/zinc/42/74/44/535427444.db2.gz YTQBZZOKBJHMBT-SNVBAGLBSA-N 1 0 293.323 1.414 20 5 CDBDRO COC(=O)c1cc(OCC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000567809201 358738080 /nfs/dbraw/zinc/73/80/80/358738080.db2.gz LAJOLNQEIVLBQT-UHFFFAOYSA-N 1 0 294.307 1.760 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000567821599 358738162 /nfs/dbraw/zinc/73/81/62/358738162.db2.gz DTUHJGGMEWPAGE-MNOVXSKESA-N 1 0 294.355 1.562 20 5 CDBDRO O=C(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)NCC(F)(F)F ZINC000048326964 359200480 /nfs/dbraw/zinc/20/04/80/359200480.db2.gz PJLHKFJYKIWCMT-UHFFFAOYSA-N 1 0 291.229 1.363 20 5 CDBDRO O=C(C[NH2+]Cc1cccc([N+](=O)[O-])c1)NCC(F)(F)F ZINC000048326963 359200507 /nfs/dbraw/zinc/20/05/07/359200507.db2.gz AGNQSUSVEKZCQE-UHFFFAOYSA-N 1 0 291.229 1.363 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000157340824 237098575 /nfs/dbraw/zinc/09/85/75/237098575.db2.gz VADGHTOHTDLGNZ-VIFPVBQESA-N 1 0 280.328 1.247 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000157469620 237103221 /nfs/dbraw/zinc/10/32/21/237103221.db2.gz GMOGSFRNRIMVPJ-DGCLKSJQSA-N 1 0 289.335 1.607 20 5 CDBDRO CCN(C)C(=O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571581792 359588622 /nfs/dbraw/zinc/58/86/22/359588622.db2.gz RLIZMEXIRVVHKP-GFCCVEGCSA-N 1 0 277.324 1.650 20 5 CDBDRO [NH3+]C1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCC1 ZINC000296817559 200006726 /nfs/dbraw/zinc/00/67/26/200006726.db2.gz NGSKVWGWMVOJDG-UHFFFAOYSA-N 1 0 263.297 1.135 20 5 CDBDRO CCC[N@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000297163291 200102214 /nfs/dbraw/zinc/10/22/14/200102214.db2.gz PAYYUJUEVLPXIS-GFCCVEGCSA-N 1 0 293.371 1.861 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000050246191 359689316 /nfs/dbraw/zinc/68/93/16/359689316.db2.gz OOTCUGFWTOKVTL-QMMMGPOBSA-N 1 0 283.715 1.669 20 5 CDBDRO CN(C(=O)COc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000237079162 363706359 /nfs/dbraw/zinc/70/63/59/363706359.db2.gz KSTWQEOWEPSHTQ-UHFFFAOYSA-N 1 0 293.323 1.184 20 5 CDBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000340905704 363696515 /nfs/dbraw/zinc/69/65/15/363696515.db2.gz OKFQJADMWGNXMO-ZYHUDNBSSA-N 1 0 266.297 1.429 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000089090911 283516998 /nfs/dbraw/zinc/51/69/98/283516998.db2.gz FCQHHWYQHCXYDU-PRHODGIISA-N 1 0 281.287 1.591 20 5 CDBDRO COC(=O)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599351 360081186 /nfs/dbraw/zinc/08/11/86/360081186.db2.gz PRESLLHMSIZVRR-UHFFFAOYSA-N 1 0 252.270 1.590 20 5 CDBDRO Cc1c(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cccc1[N+](=O)[O-] ZINC000235396709 360082723 /nfs/dbraw/zinc/08/27/23/360082723.db2.gz MXDVIGUWZDWGIZ-KOLCDFICSA-N 1 0 277.324 1.774 20 5 CDBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCC1 ZINC000548085617 360090614 /nfs/dbraw/zinc/09/06/14/360090614.db2.gz LWPYSODVRNIEKF-JTQLQIEISA-N 1 0 293.327 1.018 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000176690231 189004812 /nfs/dbraw/zinc/00/48/12/189004812.db2.gz VHRFKCJQSDJSDL-JTQLQIEISA-N 1 0 292.339 1.201 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177176366 189034292 /nfs/dbraw/zinc/03/42/92/189034292.db2.gz WWXQDJPPHQQPAR-GHMZBOCLSA-N 1 0 289.335 1.950 20 5 CDBDRO CC[C@@H](C)C[N@H+](CC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248338653 360498034 /nfs/dbraw/zinc/49/80/34/360498034.db2.gz HWPGTWQLCRXNAL-DGCLKSJQSA-N 1 0 284.360 1.520 20 5 CDBDRO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCCOC1 ZINC000348150316 360525008 /nfs/dbraw/zinc/52/50/08/360525008.db2.gz XWDBCMMKRABMFE-NXEZZACHSA-N 1 0 268.317 1.233 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000147906680 360500518 /nfs/dbraw/zinc/50/05/18/360500518.db2.gz BSLXKXIDNYVENY-SECBINFHSA-N 1 0 283.715 1.682 20 5 CDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)C[NH+]1CCCCC1 ZINC000298973561 200575252 /nfs/dbraw/zinc/57/52/52/200575252.db2.gz LTSXVVLHJUHDDY-LLVKDONJSA-N 1 0 294.355 1.775 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000178557428 189126705 /nfs/dbraw/zinc/12/67/05/189126705.db2.gz LBMPCMHOLXLSHX-SECBINFHSA-N 1 0 295.364 1.738 20 5 CDBDRO CC(C)[N@H+](CCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178564423 189127332 /nfs/dbraw/zinc/12/73/32/189127332.db2.gz ANICHBLQXLLKON-ZDUSSCGKSA-N 1 0 268.313 1.331 20 5 CDBDRO CC(C)(C)[C@@H](CO)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000180633811 189266876 /nfs/dbraw/zinc/26/68/76/189266876.db2.gz KIFTVWSUALDXRI-GFCCVEGCSA-N 1 0 295.339 1.530 20 5 CDBDRO [NH3+][C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000399234456 361393626 /nfs/dbraw/zinc/39/36/26/361393626.db2.gz QLGLMZSWQVPSDG-LBPRGKRZSA-N 1 0 263.297 1.338 20 5 CDBDRO CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C)C1 ZINC000053251026 361402798 /nfs/dbraw/zinc/40/27/98/361402798.db2.gz LHCHQCJUFMMNAL-NSHDSACASA-N 1 0 292.339 1.343 20 5 CDBDRO O=[N+]([O-])c1cnn(CCSCC2CC[NH2+]CC2)c1 ZINC000580889965 363957365 /nfs/dbraw/zinc/95/73/65/363957365.db2.gz FGKNCWCMBAQNFW-UHFFFAOYSA-N 1 0 270.358 1.524 20 5 CDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000345813497 363966603 /nfs/dbraw/zinc/96/66/03/363966603.db2.gz GDUGWFVPNGJAHU-OLZOCXBDSA-N 1 0 277.324 1.599 20 5 CDBDRO O=[N+]([O-])c1cc2ccccc2nc1NCC1CC[NH2+]CC1 ZINC000581419806 363985233 /nfs/dbraw/zinc/98/52/33/363985233.db2.gz XBUBJKSPBBNNFW-UHFFFAOYSA-N 1 0 286.335 1.976 20 5 CDBDRO O=C(CC[NH2+]C1CC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000581439463 363991025 /nfs/dbraw/zinc/99/10/25/363991025.db2.gz WWUWADXBFKASPV-UHFFFAOYSA-N 1 0 275.308 1.626 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1NC1C[NH2+]C1 ZINC000582295213 364082839 /nfs/dbraw/zinc/08/28/39/364082839.db2.gz GQBVBRAIBZYDBN-BXUZGUMPSA-N 1 0 275.352 1.867 20 5 CDBDRO CN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000104337300 364806056 /nfs/dbraw/zinc/80/60/56/364806056.db2.gz GAHKAGYUQCOROR-QMMMGPOBSA-N 1 0 283.715 1.682 20 5 CDBDRO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000270871997 366938882 /nfs/dbraw/zinc/93/88/82/366938882.db2.gz JIBJUMBNILWFCC-YPMHNXCESA-N 1 0 250.298 1.798 20 5 CDBDRO C[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000076116326 366983682 /nfs/dbraw/zinc/98/36/82/366983682.db2.gz LGXRBMMZYXGHFR-AAEUAGOBSA-N 1 0 280.324 1.819 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000094339746 366994420 /nfs/dbraw/zinc/99/44/20/366994420.db2.gz FJPPBBJWTKIUIH-GXFFZTMASA-N 1 0 277.324 1.713 20 5 CDBDRO COc1cc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000153150867 367053714 /nfs/dbraw/zinc/05/37/14/367053714.db2.gz NDVCAODWRARUCU-JSGCOSHPSA-N 1 0 293.323 1.123 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094339743 367280137 /nfs/dbraw/zinc/28/01/37/367280137.db2.gz FJPPBBJWTKIUIH-MFKMUULPSA-N 1 0 277.324 1.713 20 5 CDBDRO Cc1cc(NC(=O)NC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000415416615 241675446 /nfs/dbraw/zinc/67/54/46/241675446.db2.gz KYTLUUBIGZOWQE-UHFFFAOYSA-N 1 0 278.312 1.777 20 5 CDBDRO Cc1cccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000161176154 367476203 /nfs/dbraw/zinc/47/62/03/367476203.db2.gz BHZVALCRUSKMMV-QWRGUYRKSA-N 1 0 277.324 1.903 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000272471897 367739140 /nfs/dbraw/zinc/73/91/40/367739140.db2.gz ABHGYYFPJWGENV-WDEREUQCSA-N 1 0 292.339 1.216 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000418528433 243181767 /nfs/dbraw/zinc/18/17/67/243181767.db2.gz RZLAMPXSTHZYFC-SNVBAGLBSA-N 1 0 280.328 1.126 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000420293530 244037727 /nfs/dbraw/zinc/03/77/27/244037727.db2.gz YDCHRYSBBSFWGI-YUMQZZPRSA-N 1 0 256.331 1.403 20 5 CDBDRO Cc1c([C@H](C)NC[C@]2(O)CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000330874877 203338855 /nfs/dbraw/zinc/33/88/55/203338855.db2.gz ISLVUCBVCVTNIP-SWLSCSKDSA-N 1 0 293.367 1.620 20 5 CDBDRO O=C(NC1CC[NH2+]CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000037669341 369786033 /nfs/dbraw/zinc/78/60/33/369786033.db2.gz HNYZNIHZICHTAB-UHFFFAOYSA-N 1 0 267.260 1.216 20 5 CDBDRO CC(C)[C@H]([NH3+])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766505 370079293 /nfs/dbraw/zinc/07/92/93/370079293.db2.gz PHYGLOHTLYVZOH-SKDRFNHKSA-N 1 0 265.313 1.755 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CCN(Cc2c[nH]cn2)CC1 ZINC000298179172 370235532 /nfs/dbraw/zinc/23/55/32/370235532.db2.gz VIGPLOPDBKQVQZ-UHFFFAOYSA-N 1 0 288.311 1.035 20 5 CDBDRO C[N@H+](CCn1cnc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000295725986 370599543 /nfs/dbraw/zinc/59/95/43/370599543.db2.gz LLIZWVQJBIDWMX-UHFFFAOYSA-N 1 0 260.297 1.923 20 5 CDBDRO CC[C@H](CO)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000295700026 370575363 /nfs/dbraw/zinc/57/53/63/370575363.db2.gz MIACJHZRUHHLNF-LLVKDONJSA-N 1 0 268.313 1.676 20 5 CDBDRO Cc1c(CC(=O)N2CC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000422752939 245215325 /nfs/dbraw/zinc/21/53/25/245215325.db2.gz BNPYPEMPPAGLPA-NSHDSACASA-N 1 0 263.297 1.005 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235688392 189830005 /nfs/dbraw/zinc/83/00/05/189830005.db2.gz TYLWKQNKKWSUPB-UWVGGRQHSA-N 1 0 263.297 1.465 20 5 CDBDRO COc1cccc(C(=O)N[C@H](C[NH3+])CC(C)C)c1[N+](=O)[O-] ZINC000577947213 372183696 /nfs/dbraw/zinc/18/36/96/372183696.db2.gz BDOQFTJRRJJIEG-JTQLQIEISA-N 1 0 295.339 1.707 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H]2CO)c1 ZINC000269638121 373237197 /nfs/dbraw/zinc/23/71/97/373237197.db2.gz IECOTFYYDJRBAZ-STQMWFEESA-N 1 0 266.297 1.085 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269667601 373566050 /nfs/dbraw/zinc/56/60/50/373566050.db2.gz SYWJFCUPOYOFKZ-GJZGRUSLSA-N 1 0 293.367 1.654 20 5 CDBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330541234 373698244 /nfs/dbraw/zinc/69/82/44/373698244.db2.gz SITMZHRPGNMEIZ-UHFFFAOYSA-N 1 0 266.301 1.091 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])o1 ZINC000298523131 373750202 /nfs/dbraw/zinc/75/02/02/373750202.db2.gz ZMEXEXMKQZDPNA-UWVGGRQHSA-N 1 0 279.296 1.544 20 5 CDBDRO Cc1cc(NC(=O)NC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000298708536 373805883 /nfs/dbraw/zinc/80/58/83/373805883.db2.gz JONCPSUICBXAGE-SNVBAGLBSA-N 1 0 280.328 1.975 20 5 CDBDRO Cc1nc(NCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000161508243 373784258 /nfs/dbraw/zinc/78/42/58/373784258.db2.gz YCFIPUSFEMWKJZ-UHFFFAOYSA-N 1 0 250.302 1.806 20 5 CDBDRO C[C@H]1COCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269693981 373853490 /nfs/dbraw/zinc/85/34/90/373853490.db2.gz VWGONIKDJJQBHJ-GXFFZTMASA-N 1 0 266.297 1.349 20 5 CDBDRO C[NH2+]CCN(C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000420334705 374294553 /nfs/dbraw/zinc/29/45/53/374294553.db2.gz HELIGXDVEJXGIM-UHFFFAOYSA-N 1 0 283.328 1.133 20 5 CDBDRO C[C@H]1C[C@@H](CO)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000420952502 374307815 /nfs/dbraw/zinc/30/78/15/374307815.db2.gz XZJKGGLJQJYRMJ-QWHCGFSZSA-N 1 0 294.351 1.924 20 5 CDBDRO O=C([C@H]1CC[NH2+]C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423717340 374394505 /nfs/dbraw/zinc/39/45/05/374394505.db2.gz AQMXDYZRDXMBLW-NSHDSACASA-N 1 0 289.335 1.695 20 5 CDBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1c([N+](=O)[O-])ncn1C ZINC000370056163 374377294 /nfs/dbraw/zinc/37/72/94/374377294.db2.gz OYVPLWGPRARDCP-NWDGAFQWSA-N 1 0 293.371 1.387 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[NH2+]C)c1 ZINC000423516020 374388583 /nfs/dbraw/zinc/38/85/83/374388583.db2.gz NICBSHXCJAIIHO-UHFFFAOYSA-N 1 0 281.312 1.285 20 5 CDBDRO CC[C@H]([NH2+]C[C@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423523853 374388986 /nfs/dbraw/zinc/38/89/86/374388986.db2.gz NUJZHNCRLJXNHQ-KGLIPLIRSA-N 1 0 279.340 1.624 20 5 CDBDRO Cc1nc(NCC[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000296167318 374413912 /nfs/dbraw/zinc/41/39/12/374413912.db2.gz ZDHIZMJLSLKERR-UHFFFAOYSA-N 1 0 280.328 1.167 20 5 CDBDRO O=[N+]([O-])c1ccc(CN(C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000347183351 374416090 /nfs/dbraw/zinc/41/60/90/374416090.db2.gz WOMQNKMETAKXAO-CQSZACIVSA-N 1 0 261.325 1.921 20 5 CDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCCC[C@H]1c1ncc[nH]1 ZINC000368859396 374500232 /nfs/dbraw/zinc/50/02/32/374500232.db2.gz NTBRDTNPNLKYIR-KXUCPTDWSA-N 1 0 264.285 1.129 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCOCC1 ZINC000376622939 374564580 /nfs/dbraw/zinc/56/45/80/374564580.db2.gz YNYVPXHQRRDCLA-UHFFFAOYSA-N 1 0 266.297 1.696 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000070078498 374646717 /nfs/dbraw/zinc/64/67/17/374646717.db2.gz IMGQZZYXRDFGNG-PHIMTYICSA-N 1 0 279.340 1.786 20 5 CDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)CN(C)C ZINC000154393230 374700190 /nfs/dbraw/zinc/70/01/90/374700190.db2.gz MPPDUWPLIJBVGR-TZMCWYRMSA-N 1 0 295.383 1.428 20 5 CDBDRO C[NH2+]CCC1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000070190074 374656014 /nfs/dbraw/zinc/65/60/14/374656014.db2.gz QVPXPRITQIXCLE-UHFFFAOYSA-N 1 0 281.360 1.463 20 5 CDBDRO COc1ccc(C(=O)NC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000070447167 374662448 /nfs/dbraw/zinc/66/24/48/374662448.db2.gz RNBRUUJBCWWJOE-JTQLQIEISA-N 1 0 281.312 1.317 20 5 CDBDRO C[NH+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000330380094 374848422 /nfs/dbraw/zinc/84/84/22/374848422.db2.gz LWYJIZJNALCNNH-UHFFFAOYSA-N 1 0 280.328 1.337 20 5 CDBDRO Cc1cc(OCC(=O)N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000330499529 374858323 /nfs/dbraw/zinc/85/83/23/374858323.db2.gz JHSCTNVSZNQFJL-UHFFFAOYSA-N 1 0 293.323 1.056 20 5 CDBDRO CC[C@@H](CO)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000293824496 374957213 /nfs/dbraw/zinc/95/72/13/374957213.db2.gz HVIBYRIDIZGIEF-LBPRGKRZSA-N 1 0 252.314 1.840 20 5 CDBDRO C[C@H]([NH2+]CC(=O)NCC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000280367590 374993743 /nfs/dbraw/zinc/99/37/43/374993743.db2.gz UMWQANPRDXIBSG-QMMMGPOBSA-N 1 0 287.266 1.627 20 5 CDBDRO Cc1cc(OCC(=O)NCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000280430336 374996896 /nfs/dbraw/zinc/99/68/96/374996896.db2.gz CFONVTQSDFJSOU-UHFFFAOYSA-N 1 0 295.339 1.350 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1(C[NH+](C)C)CCC1 ZINC000332470567 375032476 /nfs/dbraw/zinc/03/24/76/375032476.db2.gz RZNXLNBCTQKNAD-UHFFFAOYSA-N 1 0 292.339 1.512 20 5 CDBDRO CN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCN(C)C1=O ZINC000283025286 375109561 /nfs/dbraw/zinc/10/95/61/375109561.db2.gz HDKSMFAEKSCBPB-LBPRGKRZSA-N 1 0 281.287 1.396 20 5 CDBDRO C[NH+](C)CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000131629597 375299124 /nfs/dbraw/zinc/29/91/24/375299124.db2.gz XFVYJUXCJJTZJY-UHFFFAOYSA-N 1 0 255.249 1.025 20 5 CDBDRO CS[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000296277060 375301352 /nfs/dbraw/zinc/30/13/52/375301352.db2.gz MOMXILVSSDNPCB-LLVKDONJSA-N 1 0 283.353 1.194 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000131879485 375371940 /nfs/dbraw/zinc/37/19/40/375371940.db2.gz PHJKBDQIRPPUPP-GHMZBOCLSA-N 1 0 277.324 1.713 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493406706 375450991 /nfs/dbraw/zinc/45/09/91/375450991.db2.gz ZZLWHJNLCJVEEI-BREXMAIKSA-N 1 0 295.314 1.861 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)O ZINC000344824232 375532014 /nfs/dbraw/zinc/53/20/14/375532014.db2.gz YFYFQSFWSZDDLW-YAEJEKNGSA-N 1 0 250.298 1.969 20 5 CDBDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1cccc([N+](=O)[O-])c1 ZINC000293992287 375593119 /nfs/dbraw/zinc/59/31/19/375593119.db2.gz CBASWHAWTSCVOH-GDLCADMTSA-N 1 0 280.324 1.785 20 5 CDBDRO CO[C@@H](C)C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000353198979 375585604 /nfs/dbraw/zinc/58/56/04/375585604.db2.gz ASVYFUGLBLPKKA-NSHDSACASA-N 1 0 295.339 1.890 20 5 CDBDRO COc1ccc(C[NH2+]C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000133166163 375706436 /nfs/dbraw/zinc/70/64/36/375706436.db2.gz YMECDWLMMKDOAZ-UHFFFAOYSA-N 1 0 266.297 1.608 20 5 CDBDRO CC[N@H+](CCNC(=O)c1c(N)cccc1[N+](=O)[O-])C(C)C ZINC000354741161 375746917 /nfs/dbraw/zinc/74/69/17/375746917.db2.gz NOPINSADTWLWSC-UHFFFAOYSA-N 1 0 294.355 1.637 20 5 CDBDRO CC(C)[NH+](CCN(C)Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000356335958 375835540 /nfs/dbraw/zinc/83/55/40/375835540.db2.gz AFFOSBKAQPHDKR-UHFFFAOYSA-N 1 0 297.403 1.879 20 5 CDBDRO C[N@@H+]1CC[C@@](O)(CNC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000358114236 375952110 /nfs/dbraw/zinc/95/21/10/375952110.db2.gz FVCPUXXGOYWNHZ-ZDTYVGOBSA-N 1 0 291.351 1.264 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000261719095 190043370 /nfs/dbraw/zinc/04/33/70/190043370.db2.gz KPJKHVCDCJYXKN-SNVBAGLBSA-N 1 0 279.340 1.597 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000261765228 190043645 /nfs/dbraw/zinc/04/36/45/190043645.db2.gz VKICUHFLRVFLHB-STQMWFEESA-N 1 0 289.335 1.585 20 5 CDBDRO O=C([C@H]1CCC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000152018991 284556584 /nfs/dbraw/zinc/55/65/84/284556584.db2.gz PANHMKUNAHVSMW-NSHDSACASA-N 1 0 275.308 1.484 20 5 CDBDRO Nc1c(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc(F)cc1[N+](=O)[O-] ZINC000262579838 190057995 /nfs/dbraw/zinc/05/79/95/190057995.db2.gz LOYQFPXLKGHWPD-XCBNKYQSSA-N 1 0 296.302 1.173 20 5 CDBDRO Nc1c(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000262612052 190059154 /nfs/dbraw/zinc/05/91/54/190059154.db2.gz FKKFJVYCMJNDQI-MWLCHTKSSA-N 1 0 292.339 1.424 20 5 CDBDRO C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296523667 376344368 /nfs/dbraw/zinc/34/43/68/376344368.db2.gz SFIVDCZBGKWGLY-VHSXEESVSA-N 1 0 277.324 1.913 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000262974559 190065236 /nfs/dbraw/zinc/06/52/36/190065236.db2.gz XXTPVKLSWNWDAC-QWRGUYRKSA-N 1 0 292.339 1.263 20 5 CDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000264436538 190109098 /nfs/dbraw/zinc/10/90/98/190109098.db2.gz BGJXDPDYJGNJMQ-LLVKDONJSA-N 1 0 293.323 1.045 20 5 CDBDRO COCCN1CC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000264593349 190121281 /nfs/dbraw/zinc/12/12/81/190121281.db2.gz MBPSLPLUBIKIOM-LLVKDONJSA-N 1 0 285.369 1.467 20 5 CDBDRO C[C@H]([NH3+])CCC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000434688346 248127709 /nfs/dbraw/zinc/12/77/09/248127709.db2.gz LFEYWAYQCRYFQI-JTQLQIEISA-N 1 0 280.328 1.250 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000189313541 377228940 /nfs/dbraw/zinc/22/89/40/377228940.db2.gz QXTFYOZKNSXHCA-BXKDBHETSA-N 1 0 263.297 1.465 20 5 CDBDRO C[NH+](C)CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294305713 377466308 /nfs/dbraw/zinc/46/63/08/377466308.db2.gz XIXBGXWCDOLRNK-UHFFFAOYSA-N 1 0 293.323 1.236 20 5 CDBDRO C[NH+](C)C/C=C/C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000265589854 190192038 /nfs/dbraw/zinc/19/20/38/190192038.db2.gz ALHCKDQCTRECDE-VMPITWQZSA-N 1 0 263.297 1.329 20 5 CDBDRO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000173306646 378123045 /nfs/dbraw/zinc/12/30/45/378123045.db2.gz GWHUKJYKIJSBCQ-OLZOCXBDSA-N 1 0 293.367 1.966 20 5 CDBDRO CCCN(CC(=O)NC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000056508351 378510789 /nfs/dbraw/zinc/51/07/89/378510789.db2.gz FUBIDSFRQCIDHO-UHFFFAOYSA-N 1 0 295.339 1.561 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)[NH3+] ZINC000040923524 378975129 /nfs/dbraw/zinc/97/51/29/378975129.db2.gz VEBNWYOSIVQZPB-UHFFFAOYSA-N 1 0 251.286 1.291 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCC[NH+](C)C ZINC000288013642 196987143 /nfs/dbraw/zinc/98/71/43/196987143.db2.gz BPEAHGVASIPHMM-UHFFFAOYSA-N 1 0 255.322 1.483 20 5 CDBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000174699407 379556279 /nfs/dbraw/zinc/55/62/79/379556279.db2.gz VQLSQJJIZFDSNX-LBPRGKRZSA-N 1 0 268.317 1.027 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@]2(O)CCSC2)c1 ZINC000267087531 190303040 /nfs/dbraw/zinc/30/30/40/190303040.db2.gz TZAPZOACWZHEHG-GFCCVEGCSA-N 1 0 268.338 1.552 20 5 CDBDRO COC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000279142767 194303309 /nfs/dbraw/zinc/30/33/09/194303309.db2.gz XTZKZLSABBMJQP-OCCSQVGLSA-N 1 0 280.324 1.878 20 5 CDBDRO COCC[NH+]1CCC(Nc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000288538616 197106259 /nfs/dbraw/zinc/10/62/59/197106259.db2.gz SFJMVROCCUVCDT-UHFFFAOYSA-N 1 0 294.355 1.700 20 5 CDBDRO C[NH+]1CC2(C1)CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000279243274 194349784 /nfs/dbraw/zinc/34/97/84/194349784.db2.gz KIXPBSUJFWXYMY-UHFFFAOYSA-N 1 0 290.323 1.764 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000382451791 412953684 /nfs/dbraw/zinc/95/36/84/412953684.db2.gz FYWVNXKUTYEJBZ-NXEZZACHSA-N 1 0 278.312 1.986 20 5 CDBDRO C[C@H](NC(=O)/C=C\C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000491880768 253111654 /nfs/dbraw/zinc/11/16/54/253111654.db2.gz FCSILJAQCQOBRW-OFSNVTPPSA-N 1 0 277.324 1.890 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[C@@H](N[C@H]1CC[NH2+]C1)C1CC1 ZINC000423205322 285161474 /nfs/dbraw/zinc/16/14/74/285161474.db2.gz PCWROVYDNIAUID-UONOGXRCSA-N 1 0 275.352 1.867 20 5 CDBDRO COCC[C@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000281114905 285166976 /nfs/dbraw/zinc/16/69/76/285166976.db2.gz ADXTYJWDBVZDQN-CMPLNLGQSA-N 1 0 268.313 1.643 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H](CO)C[NH+]2CCCCC2)cc1 ZINC000288832420 197175049 /nfs/dbraw/zinc/17/50/49/197175049.db2.gz BUEBUHONVSMRMV-ZDUSSCGKSA-N 1 0 279.340 1.854 20 5 CDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000288425989 197074396 /nfs/dbraw/zinc/07/43/96/197074396.db2.gz OALKQGLKFLHEKV-NXEZZACHSA-N 1 0 293.327 1.017 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[NH+](C)C)c1 ZINC000080393060 177649761 /nfs/dbraw/zinc/64/97/61/177649761.db2.gz XYQMYMMPGHJOQI-UHFFFAOYSA-N 1 0 281.312 1.237 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000394569469 390187321 /nfs/dbraw/zinc/18/73/21/390187321.db2.gz QZSLDGPWBZNOTA-BQBZGAKWSA-N 1 0 271.704 1.714 20 5 CDBDRO COC1(CO)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000401723709 390221139 /nfs/dbraw/zinc/22/11/39/390221139.db2.gz OYQQRUFMHZOQDD-UHFFFAOYSA-N 1 0 280.324 1.568 20 5 CDBDRO C[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)[NH+](C)C ZINC000286107435 390192342 /nfs/dbraw/zinc/19/23/42/390192342.db2.gz LLQHITHBISLWFT-ZETCQYMHSA-N 1 0 281.341 1.962 20 5 CDBDRO C[N@@H+]1CCN(CCNc2ccc([N+](=O)[O-])cn2)CC1(C)C ZINC000281600728 195303706 /nfs/dbraw/zinc/30/37/06/195303706.db2.gz HXSRXWVBNZBXND-UHFFFAOYSA-N 1 0 293.371 1.428 20 5 CDBDRO C[NH+](C)CC1(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000281686582 195337233 /nfs/dbraw/zinc/33/72/33/195337233.db2.gz LECWQFHNMMHYFM-UHFFFAOYSA-N 1 0 292.339 1.391 20 5 CDBDRO CCC[N@@H+]1CC[C@H](CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000048894274 390463051 /nfs/dbraw/zinc/46/30/51/390463051.db2.gz XBLIDLXLLLAKOP-SNVBAGLBSA-N 1 0 267.333 1.472 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2CO)cc1 ZINC000049750848 390472504 /nfs/dbraw/zinc/47/25/04/390472504.db2.gz GJTMULIAJCZBBC-ZDUSSCGKSA-N 1 0 250.298 1.942 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000320598589 390473818 /nfs/dbraw/zinc/47/38/18/390473818.db2.gz WWQLMFIDDNFJQR-BDAKNGLRSA-N 1 0 251.286 1.450 20 5 CDBDRO Cc1cccc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000320679465 390482767 /nfs/dbraw/zinc/48/27/67/390482767.db2.gz KYWQYTYXADGVDV-NXEZZACHSA-N 1 0 265.313 1.759 20 5 CDBDRO C[C@@H]1C[NH+](CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)S1 ZINC000531101386 390558111 /nfs/dbraw/zinc/55/81/11/390558111.db2.gz BXIAJICGEPJFHU-NXEZZACHSA-N 1 0 270.358 1.617 20 5 CDBDRO CCC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000451442317 390620440 /nfs/dbraw/zinc/62/04/40/390620440.db2.gz VJXCRFJCQSKWOM-STQMWFEESA-N 1 0 298.387 1.957 20 5 CDBDRO CO[C@H]1C[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000451513785 390628838 /nfs/dbraw/zinc/62/88/38/390628838.db2.gz YWDYGKZJEPQCPX-UWVGGRQHSA-N 1 0 268.317 1.194 20 5 CDBDRO Cc1ccc(C[N@@H+](C[C@@H](O)CO)C(C)C)cc1[N+](=O)[O-] ZINC000421400385 390636265 /nfs/dbraw/zinc/63/62/65/390636265.db2.gz BSUVIRGTERHXET-CYBMUJFWSA-N 1 0 282.340 1.467 20 5 CDBDRO Cc1c(C(=O)N[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000286915102 390815050 /nfs/dbraw/zinc/81/50/50/390815050.db2.gz HXJQXQLVCOCKGI-VIFPVBQESA-N 1 0 265.313 1.583 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000394303177 390824929 /nfs/dbraw/zinc/82/49/29/390824929.db2.gz AEOGVWVVFLUEQG-JMEBYUIHSA-N 1 0 277.324 1.580 20 5 CDBDRO COc1ccc(CN2CCC[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000299922019 391016690 /nfs/dbraw/zinc/01/66/90/391016690.db2.gz NJWVIIGPJHDECV-GXTWGEPZSA-N 1 0 291.351 1.787 20 5 CDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000342460249 391038725 /nfs/dbraw/zinc/03/87/25/391038725.db2.gz DXUXMVRYSZGNMI-GXSJLCMTSA-N 1 0 292.339 1.146 20 5 CDBDRO C[C@H]1CN(C)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000408402841 391243000 /nfs/dbraw/zinc/24/30/00/391243000.db2.gz PZSQHQYYVNDZML-QMMMGPOBSA-N 1 0 270.720 1.784 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415627329 391469753 /nfs/dbraw/zinc/46/97/53/391469753.db2.gz BJACZUHGPQHWGU-PRHODGIISA-N 1 0 296.302 1.983 20 5 CDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@H]1CCC[NH2+]C1 ZINC000415636222 391470225 /nfs/dbraw/zinc/47/02/25/391470225.db2.gz XDZHOKNDIMSYCV-VIFPVBQESA-N 1 0 282.275 1.607 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415631745 391470248 /nfs/dbraw/zinc/47/02/48/391470248.db2.gz NQVQWTKHKILWLB-SSDOTTSWSA-N 1 0 270.264 1.463 20 5 CDBDRO COC1([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)CCC1 ZINC000412021447 391543465 /nfs/dbraw/zinc/54/34/65/391543465.db2.gz MRGDQKRVMGPLCD-JTQLQIEISA-N 1 0 268.317 1.339 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000449593539 391631321 /nfs/dbraw/zinc/63/13/21/391631321.db2.gz PGNSDDDPVBVBJF-QWRGUYRKSA-N 1 0 294.355 1.639 20 5 CDBDRO Cc1ccnc(NC[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000291842844 391639905 /nfs/dbraw/zinc/63/99/05/391639905.db2.gz LXYQBMRNDYVGRA-SECBINFHSA-N 1 0 252.318 1.908 20 5 CDBDRO COCCOCCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293585996 391695618 /nfs/dbraw/zinc/69/56/18/391695618.db2.gz FEOMDVSYIPFHPR-LLVKDONJSA-N 1 0 297.355 1.881 20 5 CDBDRO [NH3+][C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000237976855 391712972 /nfs/dbraw/zinc/71/29/72/391712972.db2.gz SGEMGZFNXQWMQG-ZDUSSCGKSA-N 1 0 277.324 1.381 20 5 CDBDRO COc1cccc(NC[C@](C)(O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000185623239 391738234 /nfs/dbraw/zinc/73/82/34/391738234.db2.gz PFBQFCVEDCOKAJ-ZDUSSCGKSA-N 1 0 283.328 1.328 20 5 CDBDRO Cc1ccc(CN2CC[NH+](C[C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000189847653 391804192 /nfs/dbraw/zinc/80/41/92/391804192.db2.gz NGPDWNWUFYVJMY-ZDUSSCGKSA-N 1 0 293.367 1.402 20 5 CDBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000189718318 391792308 /nfs/dbraw/zinc/79/23/08/391792308.db2.gz MDHFIZDETZNMER-ZWNOBZJWSA-N 1 0 250.298 1.798 20 5 CDBDRO CCCc1n[nH]c(C(=O)NCC2([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000416302604 391985176 /nfs/dbraw/zinc/98/51/76/391985176.db2.gz PBTJKWAWNJYMDF-UHFFFAOYSA-N 1 0 295.343 1.094 20 5 CDBDRO O=C(C[NH2+]C[C@H]1CCCO1)Nc1cccc([N+](=O)[O-])c1 ZINC000232740160 130926481 /nfs/dbraw/zinc/92/64/81/130926481.db2.gz JKYZXEPYIXAQRM-GFCCVEGCSA-N 1 0 279.296 1.302 20 5 CDBDRO [NH3+]C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000237830280 131060067 /nfs/dbraw/zinc/06/00/67/131060067.db2.gz KFAPRCOIUABITK-UHFFFAOYSA-N 1 0 291.351 1.915 20 5 CDBDRO [NH3+]C1(CNC(=O)Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000237831330 131060104 /nfs/dbraw/zinc/06/01/04/131060104.db2.gz RJHMCALGYAMBGB-UHFFFAOYSA-N 1 0 291.351 1.915 20 5 CDBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1O ZINC000459598741 392485217 /nfs/dbraw/zinc/48/52/17/392485217.db2.gz QCGJCWVKOMKORI-MWLCHTKSSA-N 1 0 282.296 1.312 20 5 CDBDRO CNC(=O)C1CN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000459608977 392492069 /nfs/dbraw/zinc/49/20/69/392492069.db2.gz LQODZSTZGDBERP-UHFFFAOYSA-N 1 0 291.351 1.896 20 5 CDBDRO CC(=O)N[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000420989672 392924305 /nfs/dbraw/zinc/92/43/05/392924305.db2.gz SEXGAXFAKNVWMG-LBPRGKRZSA-N 1 0 293.323 1.184 20 5 CDBDRO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000268967193 132094200 /nfs/dbraw/zinc/09/42/00/132094200.db2.gz KOBSEBZYTUCVAF-SNVBAGLBSA-N 1 0 251.286 1.098 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[NH3+] ZINC000422786595 392957100 /nfs/dbraw/zinc/95/71/00/392957100.db2.gz STJKCGBXHUFJML-JTQLQIEISA-N 1 0 265.313 1.679 20 5 CDBDRO COCC[NH2+]CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423321183 392960102 /nfs/dbraw/zinc/96/01/02/392960102.db2.gz MXLSWZCJICYLMA-LBPRGKRZSA-N 1 0 281.356 1.790 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)[C@@H]1CO ZINC000430195097 393091219 /nfs/dbraw/zinc/09/12/19/393091219.db2.gz MYGFTZUEEIVOST-MFKMUULPSA-N 1 0 280.324 1.806 20 5 CDBDRO C[C@H]([NH3+])CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000430428816 393099019 /nfs/dbraw/zinc/09/90/19/393099019.db2.gz TXHNFZRYQHICFO-VIFPVBQESA-N 1 0 265.313 1.683 20 5 CDBDRO C[C@@](C[NH3+])(NCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000430571161 393100764 /nfs/dbraw/zinc/10/07/64/393100764.db2.gz NUKCNCSEPHMDMV-AWEZNQCLSA-N 1 0 292.339 1.250 20 5 CDBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000070148904 393101194 /nfs/dbraw/zinc/10/11/94/393101194.db2.gz XYPIVVKKJBNHSV-GFCCVEGCSA-N 1 0 277.324 1.938 20 5 CDBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000430603230 393102483 /nfs/dbraw/zinc/10/24/83/393102483.db2.gz JGKDXESVPMSKQB-UHFFFAOYSA-N 1 0 267.304 1.918 20 5 CDBDRO C[NH2+][C@@H]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430599344 393102756 /nfs/dbraw/zinc/10/27/56/393102756.db2.gz AJLOZWKXEIPDDR-LLVKDONJSA-N 1 0 295.339 1.276 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430623912 393103164 /nfs/dbraw/zinc/10/31/64/393103164.db2.gz HIRXCGKDIYNHLC-LBPRGKRZSA-N 1 0 279.340 1.644 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]1C[NH3+] ZINC000070176937 393103236 /nfs/dbraw/zinc/10/32/36/393103236.db2.gz OSHJAJDIRDRBNS-ZANVPECISA-N 1 0 295.314 1.933 20 5 CDBDRO C[NH2+][C@H]1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430621810 393103310 /nfs/dbraw/zinc/10/33/10/393103310.db2.gz KHDDKZAEKKZZHP-MNOVXSKESA-N 1 0 292.339 1.216 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000430648973 393104233 /nfs/dbraw/zinc/10/42/33/393104233.db2.gz ROCYKDMDDZCGPW-CYBMUJFWSA-N 1 0 279.340 1.787 20 5 CDBDRO [NH3+][C@@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430658248 393105438 /nfs/dbraw/zinc/10/54/38/393105438.db2.gz XBCVKNXSIGIHED-SNVBAGLBSA-N 1 0 289.295 1.178 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C[N@@H+]1C1CC1 ZINC000531005136 393056770 /nfs/dbraw/zinc/05/67/70/393056770.db2.gz DOKUCUZXAODXPM-VHSXEESVSA-N 1 0 292.339 1.288 20 5 CDBDRO COC(C)(C)C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000532340029 393071440 /nfs/dbraw/zinc/07/14/40/393071440.db2.gz GJDZSYSAYHUBJM-UHFFFAOYSA-N 1 0 256.306 1.148 20 5 CDBDRO Cc1c(C(=O)N[C@@H](C)C[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000276941381 393121483 /nfs/dbraw/zinc/12/14/83/393121483.db2.gz CFWHHCXRQKUKID-LURJTMIESA-N 1 0 296.283 1.197 20 5 CDBDRO COCC[C@](C)(O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449143259 393129280 /nfs/dbraw/zinc/12/92/80/393129280.db2.gz PPYNBKXXUVIYTE-DOMZBBRYSA-N 1 0 296.367 1.903 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000449640503 393137306 /nfs/dbraw/zinc/13/73/06/393137306.db2.gz SGHVQTOIXQFGJA-BDAKNGLRSA-N 1 0 267.285 1.435 20 5 CDBDRO CN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000330423650 393142799 /nfs/dbraw/zinc/14/27/99/393142799.db2.gz IKCRFIPYQIFXMX-JTQLQIEISA-N 1 0 252.270 1.521 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@H]21 ZINC000125696749 393157229 /nfs/dbraw/zinc/15/72/29/393157229.db2.gz MSKOMYPYVMPYBK-OPRDCNLKSA-N 1 0 279.296 1.387 20 5 CDBDRO C[NH+](C)CC1(NC(=O)Nc2ccncc2[N+](=O)[O-])CCC1 ZINC000281905756 393161602 /nfs/dbraw/zinc/16/16/02/393161602.db2.gz IKZBIHTZBPFMJW-UHFFFAOYSA-N 1 0 293.327 1.596 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](CCO)C2CCCCC2)c1 ZINC000183713985 140030671 /nfs/dbraw/zinc/03/06/71/140030671.db2.gz IDPWOLKLSZCOJD-CQSZACIVSA-N 1 0 296.371 1.712 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193539805 140146383 /nfs/dbraw/zinc/14/63/83/140146383.db2.gz IORQIQZVQIIOJI-SKDRFNHKSA-N 1 0 278.312 1.169 20 5 CDBDRO COc1cc(NCC2([NH3+])CCC2)ccc1[N+](=O)[O-] ZINC000234972767 140233886 /nfs/dbraw/zinc/23/38/86/140233886.db2.gz KKSRGWFQWCRATC-UHFFFAOYSA-N 1 0 251.286 1.897 20 5 CDBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1[NH3+] ZINC000261575804 140353791 /nfs/dbraw/zinc/35/37/91/140353791.db2.gz BTQICWUOBJQIEB-ZANVPECISA-N 1 0 267.304 1.903 20 5 CDBDRO C[C@]1(C[NH3+])CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000261594565 140360385 /nfs/dbraw/zinc/36/03/85/140360385.db2.gz ZWMVXNNQDCTWPD-LLVKDONJSA-N 1 0 270.720 1.818 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000261609729 140364145 /nfs/dbraw/zinc/36/41/45/140364145.db2.gz APCSJGNRXIVNCP-WDEREUQCSA-N 1 0 293.323 1.169 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000262444964 140427736 /nfs/dbraw/zinc/42/77/36/140427736.db2.gz IMRNHABVTMIGDH-SNVBAGLBSA-N 1 0 265.313 1.631 20 5 CDBDRO C[C@@H]1OCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000149668827 289070133 /nfs/dbraw/zinc/07/01/33/289070133.db2.gz FWBBPNBECQEBGP-GXFFZTMASA-N 1 0 266.297 1.741 20 5 CDBDRO C[NH2+]CCN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423225927 397602913 /nfs/dbraw/zinc/60/29/13/397602913.db2.gz OTSMYQTZKMSRSG-CYBMUJFWSA-N 1 0 263.341 1.725 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCC[NH2+]C1 ZINC000091558634 146984935 /nfs/dbraw/zinc/98/49/35/146984935.db2.gz YKYVYZUIJSCAGM-SECBINFHSA-N 1 0 253.306 1.284 20 5 CDBDRO CC(C)c1ccc(C[N@H+](CCO)CCCO)cc1[N+](=O)[O-] ZINC000093324004 147043468 /nfs/dbraw/zinc/04/34/68/147043468.db2.gz QKBCTXZGYDGTKW-UHFFFAOYSA-N 1 0 296.367 1.895 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N(C)CC(C)(C)C[NH3+] ZINC000093874562 147072407 /nfs/dbraw/zinc/07/24/07/147072407.db2.gz KJNPLARXPRLSPU-UHFFFAOYSA-N 1 0 252.318 1.719 20 5 CDBDRO CCCC[C@H](C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352397430 155158850 /nfs/dbraw/zinc/15/88/50/155158850.db2.gz JRSPSSMDKRWBSV-WCQYABFASA-N 1 0 284.360 1.663 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@H+](C[C@@H]2CCOC2)C2CC2)n1 ZINC000176209336 148026796 /nfs/dbraw/zinc/02/67/96/148026796.db2.gz XCQMDNSTDMUYQY-NSHDSACASA-N 1 0 280.328 1.292 20 5 CDBDRO O=[N+]([O-])c1ccn(CCN2CCC[C@H]2C[NH+]2CCCC2)n1 ZINC000176231613 148031225 /nfs/dbraw/zinc/03/12/25/148031225.db2.gz PBDRXFALMWRZME-ZDUSSCGKSA-N 1 0 293.371 1.352 20 5 CDBDRO CCC[N@H+](C)C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176271783 148035471 /nfs/dbraw/zinc/03/54/71/148035471.db2.gz NTBGNUWVQWZVCE-CYBMUJFWSA-N 1 0 295.387 1.455 20 5 CDBDRO [NH3+]C1(CNC(=O)CCNc2ccccc2[N+](=O)[O-])CCC1 ZINC000342622995 151873918 /nfs/dbraw/zinc/87/39/18/151873918.db2.gz TWCSVBSFQLZMCX-UHFFFAOYSA-N 1 0 292.339 1.394 20 5 CDBDRO C[C@@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343458071 152187474 /nfs/dbraw/zinc/18/74/74/152187474.db2.gz VWOYUIORVSVVFK-MFKMUULPSA-N 1 0 277.324 1.807 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000343794334 152305255 /nfs/dbraw/zinc/30/52/55/152305255.db2.gz PLRCTVZEUYFCIP-MRVPVSSYSA-N 1 0 291.311 1.028 20 5 CDBDRO CCC[N@@H+]1CCC[C@H]1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000343948583 152366370 /nfs/dbraw/zinc/36/63/70/152366370.db2.gz IGCSOQDHJDLPFJ-NSHDSACASA-N 1 0 281.360 1.923 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000346130205 153062485 /nfs/dbraw/zinc/06/24/85/153062485.db2.gz GOCIFVRUWDZHFW-SSDOTTSWSA-N 1 0 257.315 1.336 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000346232088 153107089 /nfs/dbraw/zinc/10/70/89/153107089.db2.gz VADXLTRNFDXXTN-SNVBAGLBSA-N 1 0 265.313 1.204 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1COCCO1 ZINC000349908075 154268100 /nfs/dbraw/zinc/26/81/00/154268100.db2.gz SOWOTXYYHIEIRY-ZDUSSCGKSA-N 1 0 266.297 1.408 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000375250519 160357367 /nfs/dbraw/zinc/35/73/67/160357367.db2.gz OOGPHIJIFJVKRN-SMDDNHRTSA-N 1 0 275.308 1.841 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000358912651 158069561 /nfs/dbraw/zinc/06/95/61/158069561.db2.gz FIJHQPWWMDFTFX-MRVPVSSYSA-N 1 0 269.276 1.462 20 5 CDBDRO C[C@H](CO)[N@H+](CCn1cc([N+](=O)[O-])cn1)CC1CCC1 ZINC000361494864 158869463 /nfs/dbraw/zinc/86/94/63/158869463.db2.gz AOEOUMLNGUYSSE-LLVKDONJSA-N 1 0 282.344 1.274 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000369339152 159776639 /nfs/dbraw/zinc/77/66/39/159776639.db2.gz MEEGSDAXJSACRA-TZMCWYRMSA-N 1 0 289.335 1.348 20 5 CDBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000285634541 196350970 /nfs/dbraw/zinc/35/09/70/196350970.db2.gz XKONMKPEVMEBSZ-GFCCVEGCSA-N 1 0 266.297 1.085 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)nc1 ZINC000037404472 173180541 /nfs/dbraw/zinc/18/05/41/173180541.db2.gz HLLHBJZYDQYNIB-JTQLQIEISA-N 1 0 262.313 1.886 20 5 CDBDRO Nc1c(C(=O)N[C@@H](C[NH3+])C2CCCC2)cccc1[N+](=O)[O-] ZINC000423972367 414148562 /nfs/dbraw/zinc/14/85/62/414148562.db2.gz ZMHVQXXMXDLABL-NSHDSACASA-N 1 0 292.339 1.424 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC1CC[NH2+]CC1 ZINC000044503663 175186647 /nfs/dbraw/zinc/18/66/47/175186647.db2.gz JFUJAPXADJKRPZ-UHFFFAOYSA-N 1 0 277.324 1.253 20 5 CDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCC1CC[NH2+]CC1 ZINC000044503758 175186789 /nfs/dbraw/zinc/18/67/89/175186789.db2.gz HXWCWTCPROKRIR-AATRIKPKSA-N 1 0 289.335 1.724 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000044538561 175199687 /nfs/dbraw/zinc/19/96/87/175199687.db2.gz MPEOVDHPSKQWIQ-JTQLQIEISA-N 1 0 295.314 1.806 20 5 CDBDRO CC[NH2+]CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000044650201 175224435 /nfs/dbraw/zinc/22/44/35/175224435.db2.gz XOLOSVPGVMFOIN-UHFFFAOYSA-N 1 0 251.286 1.163 20 5 CDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CC12CC[NH2+]CC2 ZINC000070256023 175884886 /nfs/dbraw/zinc/88/48/86/175884886.db2.gz JDMMBGQMERLHJX-GFCCVEGCSA-N 1 0 289.335 1.601 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000071143508 176041040 /nfs/dbraw/zinc/04/10/40/176041040.db2.gz VWEYRIAWXBATIX-NSHDSACASA-N 1 0 277.324 1.585 20 5 CDBDRO C[C@@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000417932935 227223560 /nfs/dbraw/zinc/22/35/60/227223560.db2.gz DGPWMWLWJCNKPS-LLVKDONJSA-N 1 0 292.339 1.141 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000275115028 287625690 /nfs/dbraw/zinc/62/56/90/287625690.db2.gz HLZFVJVREZWEGU-KCJUWKMLSA-N 1 0 297.742 1.976 20 5 CDBDRO CCNC(=O)C(C)(C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000312882478 260217589 /nfs/dbraw/zinc/21/75/89/260217589.db2.gz VKZQJZMZYZCKLV-UHFFFAOYSA-N 1 0 279.340 1.908 20 5 CDBDRO C[C@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000214007098 260223038 /nfs/dbraw/zinc/22/30/38/260223038.db2.gz JBIVXQFICLWQHT-ZADCQDASSA-N 1 0 275.308 1.428 20 5 CDBDRO CNc1ccc(C(=O)N(C)[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000519765393 265597808 /nfs/dbraw/zinc/59/78/08/265597808.db2.gz VTOKIEWVZAMMPP-CYBMUJFWSA-N 1 0 292.339 1.446 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000397218015 270346696 /nfs/dbraw/zinc/34/66/96/270346696.db2.gz HUWHARTUYAGPAC-VOTSOKGWSA-N 1 0 277.324 1.852 20 5 CDBDRO O=C1C[C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1 ZINC000414195986 275020448 /nfs/dbraw/zinc/02/04/48/275020448.db2.gz JNRJDALRCQFOPG-YGRLFVJLSA-N 1 0 289.335 1.698 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@H]4C[NH2+]C[C@H]4C3)c21 ZINC000420269786 275039848 /nfs/dbraw/zinc/03/98/48/275039848.db2.gz YLWJUFXEOUQNIA-QWRGUYRKSA-N 1 0 299.334 1.584 20 5 CDBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[NH2+]CC1 ZINC000236140246 275040596 /nfs/dbraw/zinc/04/05/96/275040596.db2.gz YXSXMHPEYNBMEG-UHFFFAOYSA-N 1 0 276.218 1.418 20 5 CDBDRO C[NH2+][C@@H]1CCCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000261570317 277295227 /nfs/dbraw/zinc/29/52/27/277295227.db2.gz KILHJIZORSKOCE-SECBINFHSA-N 1 0 253.277 1.922 20 5 CDBDRO CC(C)c1ccc(C(=O)N[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000422740378 278032974 /nfs/dbraw/zinc/03/29/74/278032974.db2.gz BPSCEBDQCQGCFX-NSHDSACASA-N 1 0 277.324 1.810 20 5 CDBDRO CCC[NH2+]CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000054264215 279184295 /nfs/dbraw/zinc/18/42/95/279184295.db2.gz MGSVDYJPMZORAA-BQYQJAHWSA-N 1 0 277.324 1.724 20 5 CDBDRO C[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094342352 279291631 /nfs/dbraw/zinc/29/16/31/279291631.db2.gz GNJBQOBGJFRGRQ-SFYZADRCSA-N 1 0 281.341 1.478 20 5 CDBDRO C[C@H]([NH2+]CCN1CCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000296745724 279469603 /nfs/dbraw/zinc/46/96/03/279469603.db2.gz PGXLUJDTESKVRO-NSHDSACASA-N 1 0 277.324 1.868 20 5 CDBDRO C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000038083202 279486237 /nfs/dbraw/zinc/48/62/37/279486237.db2.gz GECCNZUMEILSOM-WDEREUQCSA-N 1 0 298.364 1.680 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000237177758 280162520 /nfs/dbraw/zinc/16/25/20/280162520.db2.gz LYXPNTRCIQCUNI-SNVBAGLBSA-N 1 0 277.324 1.335 20 5 CDBDRO Cc1ccc(S(=O)(=O)N2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000237728540 280186392 /nfs/dbraw/zinc/18/63/92/280186392.db2.gz ORSSOMUFAXNFCR-UHFFFAOYSA-N 1 0 299.352 1.015 20 5 CDBDRO [NH3+][C@H]1CC[C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000237932341 280193892 /nfs/dbraw/zinc/19/38/92/280193892.db2.gz ZVXPPIMQRJQIMV-MNOVXSKESA-N 1 0 292.339 1.250 20 5 CDBDRO COc1ccc(C[NH2+]C[C@@H](O)C2CCC2)cc1[N+](=O)[O-] ZINC000316515567 280629825 /nfs/dbraw/zinc/62/98/25/280629825.db2.gz YMGUFOPAGOSIPR-CYBMUJFWSA-N 1 0 280.324 1.854 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](C[NH3+])C2)n1 ZINC000162856066 281011128 /nfs/dbraw/zinc/01/11/28/281011128.db2.gz GKFKLZCQFKGXLM-JTQLQIEISA-N 1 0 250.302 1.473 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261576771 281014151 /nfs/dbraw/zinc/01/41/51/281014151.db2.gz CFSQXEHCYSSWSU-NWDGAFQWSA-N 1 0 261.325 1.949 20 5 CDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000567487149 293794420 /nfs/dbraw/zinc/79/44/20/293794420.db2.gz CDUZOAGRCRSSJL-VXGBXAGGSA-N 1 0 279.340 1.734 20 5 CDBDRO C[C@H](O)C[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570332252 294217593 /nfs/dbraw/zinc/21/75/93/294217593.db2.gz LUMSHPCXPDPRJW-SRVKXCTJSA-N 1 0 298.339 1.084 20 5 CDBDRO CC1(NC(=O)NCc2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000570425035 294237343 /nfs/dbraw/zinc/23/73/43/294237343.db2.gz MBELGOJFXAVMFZ-UHFFFAOYSA-N 1 0 292.339 1.536 20 5 CDBDRO C[N@@H+]1CC[C@@H](c2nc(Cc3ccccc3[N+](=O)[O-])no2)C1 ZINC000349895320 316140830 /nfs/dbraw/zinc/14/08/30/316140830.db2.gz XJYATKOIRQEXBX-LLVKDONJSA-N 1 0 288.307 1.988 20 5 CDBDRO O=C(C[NH2+]C1CC1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000576029054 317060715 /nfs/dbraw/zinc/06/07/15/317060715.db2.gz OCFNUURYGCRPOK-UHFFFAOYSA-N 1 0 283.715 1.616 20 5 CDBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCO1 ZINC000182296058 323273015 /nfs/dbraw/zinc/27/30/15/323273015.db2.gz SKBSNMYKPRNJLS-NEPJUHHUSA-N 1 0 268.317 1.339 20 5 CDBDRO C[C@@H]([NH2+]C1CC1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000382949945 323654971 /nfs/dbraw/zinc/65/49/71/323654971.db2.gz LJLCUCBQWBDBGB-SECBINFHSA-N 1 0 263.297 1.352 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000578910817 324057832 /nfs/dbraw/zinc/05/78/32/324057832.db2.gz XHQUSSQYDKERAF-CYBMUJFWSA-N 1 0 291.351 1.690 20 5 CDBDRO C[N@@H+]1CC[C@@](O)(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000579494193 324206312 /nfs/dbraw/zinc/20/63/12/324206312.db2.gz GPACXNCDOVQPQY-UKRRQHHQSA-N 1 0 291.351 1.238 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000583094945 325106577 /nfs/dbraw/zinc/10/65/77/325106577.db2.gz RZDUSUKHYWDNIW-NWDGAFQWSA-N 1 0 279.340 1.963 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C ZINC000583202923 325127301 /nfs/dbraw/zinc/12/73/01/325127301.db2.gz XSTSHIVVQAFAGT-UHFFFAOYSA-N 1 0 253.302 1.487 20 5 CDBDRO C[NH2+]C[C@](C)(O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000583636119 325213402 /nfs/dbraw/zinc/21/34/02/325213402.db2.gz JOZREXLJZVIWQC-RISCZKNCSA-N 1 0 281.356 1.524 20 5 CDBDRO CO[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158638508 1159141532 /nfs/dbraw/zinc/14/15/32/1159141532.db2.gz IFIPDFMFRIEGSX-HZSPNIEDSA-N 1 0 280.324 1.785 20 5 CDBDRO C[C@@H]1CCC[N@@H+]1CCNc1c([N+](=O)[O-])cnn1C ZINC000892715377 1159534845 /nfs/dbraw/zinc/53/48/45/1159534845.db2.gz ZCAHPVXFJIANJJ-SECBINFHSA-N 1 0 253.306 1.225 20 5 CDBDRO CC(C)c1cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)n1 ZINC001228319024 1160397363 /nfs/dbraw/zinc/39/73/63/1160397363.db2.gz VPWFNUZECASFOG-GFCCVEGCSA-N 1 0 281.376 1.568 20 5 CDBDRO Cc1c[n+]([O-])c(NC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001168182032 1160523382 /nfs/dbraw/zinc/52/33/82/1160523382.db2.gz JWRUXHOUNYZOKW-UHFFFAOYSA-N 1 0 266.301 1.091 20 5 CDBDRO CC[N+](C)(C)Cc1ccccc1NCC(=O)CCO ZINC001170101606 1162084148 /nfs/dbraw/zinc/08/41/48/1162084148.db2.gz XNSJKHSENVDQOI-UHFFFAOYSA-N 1 0 265.377 1.646 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000112926749 520233834 /nfs/dbraw/zinc/23/38/34/520233834.db2.gz OVKRFMYXBICGEK-UHFFFAOYSA-N 1 0 297.380 1.998 20 5 CDBDRO CC[NH+](CC)CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000339992815 520578990 /nfs/dbraw/zinc/57/89/90/520578990.db2.gz DARDJRHLRUQBAO-UHFFFAOYSA-N 1 0 294.355 1.465 20 5 CDBDRO CCOc1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000236902373 520901164 /nfs/dbraw/zinc/90/11/64/520901164.db2.gz XERGSQZYHIXCLB-SNVBAGLBSA-N 1 0 279.296 1.167 20 5 CDBDRO COc1cc(NC[C@@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000068806572 522745354 /nfs/dbraw/zinc/74/53/54/522745354.db2.gz PVGZOZQXSPGAPG-GFCCVEGCSA-N 1 0 294.355 1.261 20 5 CDBDRO Cc1cc(F)cc(C(=O)NC[C@@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000237371033 524936458 /nfs/dbraw/zinc/93/64/58/524936458.db2.gz FRFYKIAAQBZWTK-ZETCQYMHSA-N 1 0 269.276 1.367 20 5 CDBDRO Cc1c(C(=O)NCC[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000338419235 525613382 /nfs/dbraw/zinc/61/33/82/525613382.db2.gz KZYPTSRWJVDOBW-UHFFFAOYSA-N 1 0 279.340 1.973 20 5 CDBDRO C[C@@H](O)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000159546521 525782320 /nfs/dbraw/zinc/78/23/20/525782320.db2.gz PKUVSYGLAMXTCE-SNVBAGLBSA-N 1 0 281.312 1.236 20 5 CDBDRO O=C(C1CC[NH2+]CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000159605124 526308103 /nfs/dbraw/zinc/30/81/03/526308103.db2.gz XTCRQMSBMAFLOM-UHFFFAOYSA-N 1 0 289.335 1.479 20 5 CDBDRO O=C(NCC[NH2+]C1CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000054265334 526335736 /nfs/dbraw/zinc/33/57/36/526335736.db2.gz QJBQHDPUAAWZTH-UHFFFAOYSA-N 1 0 267.260 1.216 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000221457130 526778944 /nfs/dbraw/zinc/77/89/44/526778944.db2.gz ATNHVYXUNZWTDA-WCQYABFASA-N 1 0 275.308 1.419 20 5 CDBDRO O=C(C[NH2+]CC1CC1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676281 526879029 /nfs/dbraw/zinc/87/90/29/526879029.db2.gz ZOIUZNWPIDFXLF-UHFFFAOYSA-N 1 0 277.324 1.253 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000050228542 527410011 /nfs/dbraw/zinc/41/00/11/527410011.db2.gz JMGMWFCENDQOLT-ZWNMCFTASA-N 1 0 261.281 1.168 20 5 CDBDRO CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000269670576 528670717 /nfs/dbraw/zinc/67/07/17/528670717.db2.gz UNQFXWBNDVLIJH-CYBMUJFWSA-N 1 0 282.340 1.721 20 5 CDBDRO CC(C)[C@H]([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269097659 535056294 /nfs/dbraw/zinc/05/62/94/535056294.db2.gz MWPOYKBRYDXONV-NSHDSACASA-N 1 0 285.731 1.848 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412162606 535849679 /nfs/dbraw/zinc/84/96/79/535849679.db2.gz RFCTXVNDWJUKEE-UONOGXRCSA-N 1 0 291.351 1.718 20 5 CDBDRO C[NH2+][C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000261651608 536362502 /nfs/dbraw/zinc/36/25/02/536362502.db2.gz AAUVEOMXYQJKDD-GFCCVEGCSA-N 1 0 279.340 1.657 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@H](C)C[NH3+] ZINC000417173091 536952925 /nfs/dbraw/zinc/95/29/25/536952925.db2.gz GTGAFUIIXXUKIW-SECBINFHSA-N 1 0 296.327 1.092 20 5 CDBDRO CCCNC(=O)[C@@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000105874301 1174708947 /nfs/dbraw/zinc/70/89/47/1174708947.db2.gz UPDIOMXNZFWKPX-MFKMUULPSA-N 1 0 295.339 1.133 20 5 CDBDRO C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000755815678 575543822 /nfs/dbraw/zinc/54/38/22/575543822.db2.gz PXSSOGRMEGHISY-LBPRGKRZSA-N 1 0 291.351 1.690 20 5 CDBDRO C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000761066865 576540466 /nfs/dbraw/zinc/54/04/66/576540466.db2.gz CXVOTYYDZZVJMZ-SNVBAGLBSA-N 1 0 267.304 1.870 20 5 CDBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)N(C)C ZINC000761533601 576581149 /nfs/dbraw/zinc/58/11/49/576581149.db2.gz WDUSVPWXXMEDAL-MRVPVSSYSA-N 1 0 285.731 1.815 20 5 CDBDRO C[C@@H]([NH2+][C@H](CO)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000763062113 576706338 /nfs/dbraw/zinc/70/63/38/576706338.db2.gz ACQVHPFDBCAAKN-NOZJJQNGSA-N 1 0 293.323 1.282 20 5 CDBDRO Cc1c(C[NH2+]C2(CO)CCC2)cccc1[N+](=O)[O-] ZINC000122887003 617404987 /nfs/dbraw/zinc/40/49/87/617404987.db2.gz OHKJLFBTCPDVSV-UHFFFAOYSA-N 1 0 250.298 1.908 20 5 CDBDRO CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000957548064 615101699 /nfs/dbraw/zinc/10/16/99/615101699.db2.gz YRTVKBRLEYSQAD-CHWSQXEVSA-N 1 0 295.383 1.376 20 5 CDBDRO C[NH+](C)Cc1cccc(C(=O)OCC(C)(C)[N+](=O)[O-])c1 ZINC000851130163 617577327 /nfs/dbraw/zinc/57/73/27/617577327.db2.gz SDENFTPOUYMOHU-UHFFFAOYSA-N 1 0 280.324 1.960 20 5 CDBDRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000893007029 618051588 /nfs/dbraw/zinc/05/15/88/618051588.db2.gz FTKAHWIKHSNQMX-UMSGYPCISA-N 1 0 283.372 1.373 20 5 CDBDRO Cc1nc(N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000893941124 618204666 /nfs/dbraw/zinc/20/46/66/618204666.db2.gz QTZRHDVBXREHJX-PWSUYJOCSA-N 1 0 262.313 1.439 20 5 CDBDRO [NH3+]CCc1noc(CCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000843130230 618694102 /nfs/dbraw/zinc/69/41/02/618694102.db2.gz CERUUHGWKCIYMD-UHFFFAOYSA-N 1 0 291.311 1.524 20 5 CDBDRO COc1c(O)ccc(C[N@H+](C[C@H](C)O)C2CC2)c1[N+](=O)[O-] ZINC000895231409 619467257 /nfs/dbraw/zinc/46/72/57/619467257.db2.gz ZQBLAYQJOKLUGH-VIFPVBQESA-N 1 0 296.323 1.654 20 5 CDBDRO C[C@H](Nc1ccc([N+](=O)[O-])nc1)[C@H]1C[N@H+](C)CCN1C ZINC000895245629 619486487 /nfs/dbraw/zinc/48/64/87/619486487.db2.gz HEHCUITYMJYJHD-CMPLNLGQSA-N 1 0 279.344 1.036 20 5 CDBDRO Cc1cc(N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000895246950 619493375 /nfs/dbraw/zinc/49/33/75/619493375.db2.gz DFQZCRFTERHUQM-WFASDCNBSA-N 1 0 292.383 1.949 20 5 CDBDRO Cc1cc(N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000895246947 619493900 /nfs/dbraw/zinc/49/39/00/619493900.db2.gz DFQZCRFTERHUQM-DOMZBBRYSA-N 1 0 292.383 1.949 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841011745 620946847 /nfs/dbraw/zinc/94/68/47/620946847.db2.gz UJSSQPZZNNAZMA-SSDOTTSWSA-N 1 0 286.719 1.965 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H](O)C2CC2)c(F)c1 ZINC000898204792 621361423 /nfs/dbraw/zinc/36/14/23/621361423.db2.gz YVAJIYXDYXIPCC-ZDUSSCGKSA-N 1 0 268.288 1.985 20 5 CDBDRO CN(CCc1ccccc1[N+](=O)[O-])CN1C[C@@H]2C[C@@H]2C1=O ZINC000902263598 624598723 /nfs/dbraw/zinc/59/87/23/624598723.db2.gz ANVSXPXGXJFQCE-STQMWFEESA-N 1 0 289.335 1.505 20 5 CDBDRO CCN(CC[NH2+]CC[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000905088442 626604570 /nfs/dbraw/zinc/60/45/70/626604570.db2.gz IVZRTRCVXMPHLC-UHFFFAOYSA-N 1 0 261.322 1.110 20 5 CDBDRO Cc1ccc(C(=O)N2CCC([NH2+]CC[N+](=O)[O-])CC2)cc1 ZINC000905090432 626605010 /nfs/dbraw/zinc/60/50/10/626605010.db2.gz VILHWKNFEVSXDN-UHFFFAOYSA-N 1 0 291.351 1.466 20 5 CDBDRO O=C(CCC[NH2+]CC[N+](=O)[O-])N1CCc2ccccc21 ZINC000905104158 626621021 /nfs/dbraw/zinc/62/10/21/626621021.db2.gz MZJKVJXVKVJYJC-UHFFFAOYSA-N 1 0 277.324 1.222 20 5 CDBDRO COc1cc(OC)c(C[C@@H](C)[NH2+]CC[N+](=O)[O-])c(OC)c1 ZINC000905273849 626729347 /nfs/dbraw/zinc/72/93/47/626729347.db2.gz PUOJHXNRMLRWCO-SNVBAGLBSA-N 1 0 298.339 1.510 20 5 CDBDRO Cc1ccc(CN2CC[C@H]([NH2+]CC[N+](=O)[O-])C2)cc1 ZINC000905403272 626797320 /nfs/dbraw/zinc/79/73/20/626797320.db2.gz FTHRQZXQZDMEGN-AWEZNQCLSA-N 1 0 263.341 1.436 20 5 CDBDRO CN(CCCCCC[NH3+])c1c([N+](=O)[O-])cnn1C ZINC000905646367 626915101 /nfs/dbraw/zinc/91/51/01/626915101.db2.gz DFWNXKGEYMGYRF-UHFFFAOYSA-N 1 0 255.322 1.284 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C/C=C\Cl ZINC000905708483 626935335 /nfs/dbraw/zinc/93/53/35/626935335.db2.gz PGCDCGXKCGEWIG-XICOKMJESA-N 1 0 286.715 1.677 20 5 CDBDRO [NH3+]C1CC(NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000906509286 627297817 /nfs/dbraw/zinc/29/78/17/627297817.db2.gz FQJRHSMXLUVOMM-UHFFFAOYSA-N 1 0 255.705 1.828 20 5 CDBDRO O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911698495 629422687 /nfs/dbraw/zinc/42/26/87/629422687.db2.gz JOFXKDCFSMCCLQ-KGYLQXTDSA-N 1 0 275.308 1.176 20 5 CDBDRO CN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000911788924 629513926 /nfs/dbraw/zinc/51/39/26/629513926.db2.gz TVBUUYFNWMUXGW-MGPQQGTHSA-N 1 0 289.335 1.519 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](CCCCO)C2CC2)c1 ZINC000154356950 632188306 /nfs/dbraw/zinc/18/83/06/632188306.db2.gz LQCRLXTZQCNFEM-HNNXBMFYSA-N 1 0 294.351 1.865 20 5 CDBDRO O=[N+]([O-])CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000930060171 632510069 /nfs/dbraw/zinc/51/00/69/632510069.db2.gz GMICSHJNTAXTGO-WCQYABFASA-N 1 0 253.346 1.212 20 5 CDBDRO COc1nc(C)c(NCC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC001170253929 1162326573 /nfs/dbraw/zinc/32/65/73/1162326573.db2.gz FMTHQZFWIRIENB-UHFFFAOYSA-N 1 0 266.301 1.280 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C)[NH2+][C@@H](C)C2)n1 ZINC001158176392 1162756859 /nfs/dbraw/zinc/75/68/59/1162756859.db2.gz DHEMYZFYOAKBOM-QWRGUYRKSA-N 1 0 264.329 1.793 20 5 CDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cnco1 ZINC001132027069 1163152492 /nfs/dbraw/zinc/15/24/92/1163152492.db2.gz XYSDIHFMGWVKAA-UHFFFAOYSA-N 1 0 290.279 1.102 20 5 CDBDRO O=C(NC[C@H]1C[C@H]([NH2+]CC2CCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363343 1161973003 /nfs/dbraw/zinc/97/30/03/1161973003.db2.gz OTDICDBFKAFJKC-AAVRWANBSA-N 1 0 295.383 1.326 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H]2COc3ccccc3O2)C1 ZINC001168966580 1161995639 /nfs/dbraw/zinc/99/56/39/1161995639.db2.gz JOGVXOUUCTYKEN-AGIUHOORSA-N 1 0 292.335 1.861 20 5 CDBDRO CC(C)(C)N1CC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168998243 1161996677 /nfs/dbraw/zinc/99/66/77/1161996677.db2.gz KLZXPUPNBVJZDM-GHMZBOCLSA-N 1 0 255.362 1.504 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(Cc3ccco3)CC2)C1 ZINC001169029698 1161997648 /nfs/dbraw/zinc/99/76/48/1161997648.db2.gz VGSHSDMUYAWCIX-KBPBESRZSA-N 1 0 293.367 1.843 20 5 CDBDRO [NH3+]Cc1cnn(-c2ccc3[nH]cc([N+](=O)[O-])c3n2)c1 ZINC001157475358 1162108944 /nfs/dbraw/zinc/10/89/44/1162108944.db2.gz XMIPADIABDQOHP-UHFFFAOYSA-N 1 0 258.241 1.116 20 5 CDBDRO [NH3+]Cc1ccn(-c2ncnc3cccc([N+](=O)[O-])c32)c1 ZINC001158767605 1163562619 /nfs/dbraw/zinc/56/26/19/1163562619.db2.gz VKMYQTHSVHCBDA-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO C[C@H](CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000867927630 1164883928 /nfs/dbraw/zinc/88/39/28/1164883928.db2.gz KLIQMTFAUIXWJA-MEBBXXQBSA-N 1 0 291.351 1.931 20 5 CDBDRO Cc1cc(Cl)c(C(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001574136238 1170894609 /nfs/dbraw/zinc/89/46/09/1170894609.db2.gz BLAIFNAWBWYBIA-UHFFFAOYSA-N 1 0 283.715 1.602 20 5 CDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]([NH3+])CC1CC1 ZINC001578478400 1171929337 /nfs/dbraw/zinc/92/93/37/1171929337.db2.gz FHPTWVXMXFKLPY-AWEZNQCLSA-N 1 0 291.351 1.723 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[NH2+]CC2(C)C)n1 ZINC001579642628 1172232152 /nfs/dbraw/zinc/23/21/52/1172232152.db2.gz NCLAZOOLXVXBQO-UHFFFAOYSA-N 1 0 278.312 1.122 20 5 CDBDRO Nc1ccc(C(=O)NC[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001580439592 1172435908 /nfs/dbraw/zinc/43/59/08/1172435908.db2.gz QVOHLTYNVYZAFU-JTQLQIEISA-N 1 0 292.339 1.297 20 5 CDBDRO O=[N+]([O-])c1cncc(Cl)c1N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001580876769 1172557882 /nfs/dbraw/zinc/55/78/82/1172557882.db2.gz SRUQICONIQQVHJ-BDAKNGLRSA-N 1 0 282.731 1.689 20 5 CDBDRO C[C@H](CNc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-])[NH+](C)C ZINC001589875151 1173194142 /nfs/dbraw/zinc/19/41/42/1173194142.db2.gz ASNXPPSXBPYWNB-ZCFIWIBFSA-N 1 0 297.344 1.198 20 5 CDBDRO C[N@H+](CCCF)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001591067095 1173571840 /nfs/dbraw/zinc/57/18/40/1173571840.db2.gz YNTFCIWYAICZES-UHFFFAOYSA-N 1 0 294.290 1.566 20 5 CDBDRO O=[N+]([O-])c1c(F)cc(F)cc1NC[C@@H]1COCC[NH2+]1 ZINC000236276542 1178252564 /nfs/dbraw/zinc/25/25/64/1178252564.db2.gz APCPGVBCXBOXCL-MRVPVSSYSA-N 1 0 273.239 1.273 20 5 CDBDRO [NH3+][C@H]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C12CCC2 ZINC000404634306 1186530269 /nfs/dbraw/zinc/53/02/69/1186530269.db2.gz IMXNFKQYUBFPSL-IUCAKERBSA-N 1 0 281.337 1.656 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cccc([N+](=O)[O-])n1 ZINC001164640728 719170103 /nfs/dbraw/zinc/17/01/03/719170103.db2.gz VQKICMSQCNPADU-NXEZZACHSA-N 1 0 250.302 1.519 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2cc([N+](=O)[O-])ccn2)C1 ZINC001165036331 721885545 /nfs/dbraw/zinc/88/55/45/721885545.db2.gz SLVAOGCJAIRZMX-LLVKDONJSA-N 1 0 250.302 1.520 20 5 CDBDRO [NH3+]CCOc1ccc(NCCn2ccc([N+](=O)[O-])n2)cc1 ZINC000843366715 730433005 /nfs/dbraw/zinc/43/30/05/730433005.db2.gz ZZOXDIOIMSBCHS-UHFFFAOYSA-N 1 0 291.311 1.241 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841232964 730434513 /nfs/dbraw/zinc/43/45/13/730434513.db2.gz IBPPSZBOVLXSBH-SSDOTTSWSA-N 1 0 286.719 1.965 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@H]1O ZINC000866378995 730438762 /nfs/dbraw/zinc/43/87/62/730438762.db2.gz GCKQVHMYGVYIPQ-RLCGTCKNSA-N 1 0 268.288 1.778 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc([N+](=O)[O-])c1 ZINC000818017207 730446495 /nfs/dbraw/zinc/44/64/95/730446495.db2.gz XGZIGSQFWSDUQS-HNNXBMFYSA-N 1 0 289.335 1.871 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000925596659 730448681 /nfs/dbraw/zinc/44/86/81/730448681.db2.gz KSPGGWLGQNESFH-FZMZJTMJSA-N 1 0 279.340 1.704 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000886019261 730462273 /nfs/dbraw/zinc/46/22/73/730462273.db2.gz PKHJFHKZWNHBGO-ZDUSSCGKSA-N 1 0 290.367 1.908 20 5 CDBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])CCC(=O)NC ZINC000933866857 730491852 /nfs/dbraw/zinc/49/18/52/730491852.db2.gz JJPVFXQIXYDWQA-UHFFFAOYSA-N 1 0 295.339 1.432 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@]1(O)CCOC1 ZINC000873099205 730498576 /nfs/dbraw/zinc/49/85/76/730498576.db2.gz ZKZYANPSHZSAJN-AWEZNQCLSA-N 1 0 280.324 1.453 20 5 CDBDRO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000840120782 730566681 /nfs/dbraw/zinc/56/66/81/730566681.db2.gz OOSLREFCJULGHN-IJLUTSLNSA-N 1 0 280.328 1.374 20 5 CDBDRO CC[C@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1O ZINC000886094708 730569981 /nfs/dbraw/zinc/56/99/81/730569981.db2.gz XVFLGXCMOUMYRN-GXSJLCMTSA-N 1 0 251.286 1.193 20 5 CDBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](CO)C(C)(C)C ZINC000776591353 730589559 /nfs/dbraw/zinc/58/95/59/730589559.db2.gz OBFSZVBSRCNDPY-KBPBESRZSA-N 1 0 296.367 1.967 20 5 CDBDRO Cc1c(CNC(=O)C[C@@H]([NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000231856182 730597861 /nfs/dbraw/zinc/59/78/61/730597861.db2.gz QQXNXNASFLYSOQ-GFCCVEGCSA-N 1 0 277.324 1.647 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CC([NH+](C)C)C2)cc1Cl ZINC000836781066 730674615 /nfs/dbraw/zinc/67/46/15/730674615.db2.gz CUAJZKRHJUNSRZ-UHFFFAOYSA-N 1 0 297.742 1.943 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3ccnc(F)c3[N+](=O)[O-])C[C@H]2C1 ZINC000882274247 730675010 /nfs/dbraw/zinc/67/50/10/730675010.db2.gz DKVCJYBIKFNXEU-DTORHVGOSA-N 1 0 266.276 1.127 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H]2CCO)c1 ZINC000778267219 730689117 /nfs/dbraw/zinc/68/91/17/730689117.db2.gz CECLBYOSBOVYNC-GXTWGEPZSA-N 1 0 280.324 1.475 20 5 CDBDRO CC[NH2+][C@@H](C)c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000863671969 730694218 /nfs/dbraw/zinc/69/42/18/730694218.db2.gz CJCGSPSDFGFDGZ-LURJTMIESA-N 1 0 280.288 1.357 20 5 CDBDRO C[C@H](O)C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000847092355 730700704 /nfs/dbraw/zinc/70/07/04/730700704.db2.gz DPIBLAOQGUVLHU-HZMBPMFUSA-N 1 0 280.324 1.473 20 5 CDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000862795360 730732945 /nfs/dbraw/zinc/73/29/45/730732945.db2.gz KDCZZUBKXQOWIG-GFCCVEGCSA-N 1 0 285.388 1.670 20 5 CDBDRO CC(C)([NH3+])CCc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000843238497 730757122 /nfs/dbraw/zinc/75/71/22/730757122.db2.gz RXWNTIQINRNOOH-UHFFFAOYSA-N 1 0 266.257 1.908 20 5 CDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000192810880 730766763 /nfs/dbraw/zinc/76/67/63/730766763.db2.gz IYRKDFFXRUNCNS-UHFFFAOYSA-N 1 0 296.283 1.103 20 5 CDBDRO CC[NH2+]CCNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000236967512 730887144 /nfs/dbraw/zinc/88/71/44/730887144.db2.gz WJBVDDKTDDQPST-UHFFFAOYSA-N 1 0 269.276 1.382 20 5 CDBDRO CNc1nccc(C(=O)OCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000848791274 730948719 /nfs/dbraw/zinc/94/87/19/730948719.db2.gz WAZLFVNSDIOWRY-UHFFFAOYSA-N 1 0 282.300 1.140 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCOC2)cc1 ZINC000134755954 730958521 /nfs/dbraw/zinc/95/85/21/730958521.db2.gz UYYQMBBAMJWOOI-ZWNOBZJWSA-N 1 0 266.297 1.254 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCOCCO ZINC000084439766 731007170 /nfs/dbraw/zinc/00/71/70/731007170.db2.gz ATGZATNTCYSYNE-UHFFFAOYSA-N 1 0 274.704 1.347 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC3(CC2)OCCCO3)c1 ZINC000815154110 731019317 /nfs/dbraw/zinc/01/93/17/731019317.db2.gz NABGUZMMXXPVNY-UHFFFAOYSA-N 1 0 296.327 1.020 20 5 CDBDRO Cc1c(CNC(=[NH2+])NCC2CC2)cccc1[N+](=O)[O-] ZINC000887357712 731064989 /nfs/dbraw/zinc/06/49/89/731064989.db2.gz BRIFCJJUJFQFNS-UHFFFAOYSA-N 1 0 262.313 1.927 20 5 CDBDRO COC[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C1CCOCC1 ZINC000886273509 731191804 /nfs/dbraw/zinc/19/18/04/731191804.db2.gz AFZUUKKBKOZRNG-CYBMUJFWSA-N 1 0 295.339 1.521 20 5 CDBDRO C[C@H]1CCC[N@@H+]1CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000853390249 731230237 /nfs/dbraw/zinc/23/02/37/731230237.db2.gz RCTMXRNNEMXASY-VIFPVBQESA-N 1 0 284.747 1.961 20 5 CDBDRO COC[C@@H](O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848549610 731306518 /nfs/dbraw/zinc/30/65/18/731306518.db2.gz XQDUNXVTDBXSOG-JOYOIKCWSA-N 1 0 266.297 1.179 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cn(C)nn1 ZINC000866335704 731312561 /nfs/dbraw/zinc/31/25/61/731312561.db2.gz LHVRQNGURMSOSS-VIFPVBQESA-N 1 0 293.302 1.583 20 5 CDBDRO CCc1ccc(C(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000870971396 731331817 /nfs/dbraw/zinc/33/18/17/731331817.db2.gz KKQNWVCFUCQONW-OTCDBFHCSA-N 1 0 277.324 1.624 20 5 CDBDRO C[C@]([NH3+])(C(=O)NCC1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC000876999556 731393056 /nfs/dbraw/zinc/39/30/56/731393056.db2.gz FZBIWHAEKJFYOO-OAHLLOKOSA-N 1 0 289.335 1.851 20 5 CDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H](C)CN1C ZINC000787202411 731457082 /nfs/dbraw/zinc/45/70/82/731457082.db2.gz KSDWNDHOSZGQLI-UWVGGRQHSA-N 1 0 292.339 1.342 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc(C[C@@H]3C[NH2+]CCO3)n2)cc1 ZINC000091294951 731501993 /nfs/dbraw/zinc/50/19/93/731501993.db2.gz BQLFAUUVMSHHTM-LLVKDONJSA-N 1 0 290.279 1.176 20 5 CDBDRO CC[C@H]1COCCN1CCNc1cccnc1[N+](=O)[O-] ZINC000872772069 731538373 /nfs/dbraw/zinc/53/83/73/731538373.db2.gz OZWKEGWUZDKAQV-NSHDSACASA-N 1 0 280.328 1.513 20 5 CDBDRO C[C@@H]([NH3+])CN(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000311116157 731590013 /nfs/dbraw/zinc/59/00/13/731590013.db2.gz GFQZWODZEALAFM-SSDOTTSWSA-N 1 0 255.249 1.153 20 5 CDBDRO Cc1ccc(C[NH2+][C@H](CO)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000886229016 731648605 /nfs/dbraw/zinc/64/86/05/731648605.db2.gz JMEWSLGRIXQEMD-UONOGXRCSA-N 1 0 294.351 1.923 20 5 CDBDRO C[C@H]([NH3+])c1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000124353287 731710927 /nfs/dbraw/zinc/71/09/27/731710927.db2.gz GYOPVRRPFJMMBY-VIFPVBQESA-N 1 0 261.285 1.449 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CC[NH2+]CC2)c(Cl)c1 ZINC000049962907 731712744 /nfs/dbraw/zinc/71/27/44/731712744.db2.gz YCSSVPGXQBOTCU-UHFFFAOYSA-N 1 0 255.705 1.653 20 5 CDBDRO O=[N+]([O-])c1ccc(OC[C@@H]2CC[NH2+]C2)c(F)c1F ZINC000830409575 731756150 /nfs/dbraw/zinc/75/61/50/731756150.db2.gz RBRMSUXUNGLKDZ-SSDOTTSWSA-N 1 0 258.224 1.861 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000886300782 731810681 /nfs/dbraw/zinc/81/06/81/731810681.db2.gz PNCIUKCZKYGCIC-XAAFQQQXSA-N 1 0 295.364 1.475 20 5 CDBDRO CN(CCC[NH+]1CCCC1)Cc1cccnc1[N+](=O)[O-] ZINC000886185731 731828595 /nfs/dbraw/zinc/82/85/95/731828595.db2.gz FVSMLSIHAFPDNG-UHFFFAOYSA-N 1 0 278.356 1.908 20 5 CDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000830135590 731838190 /nfs/dbraw/zinc/83/81/90/731838190.db2.gz PIRMYQCOLVWKAS-HZSPNIEDSA-N 1 0 289.335 1.519 20 5 CDBDRO CCN1CC[C@H]1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000883354998 731864985 /nfs/dbraw/zinc/86/49/85/731864985.db2.gz GQQMKQNVLJKVCL-JQWIXIFHSA-N 1 0 278.356 1.922 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719068235 731867833 /nfs/dbraw/zinc/86/78/33/731867833.db2.gz SPECZJCPRQXMGP-GFCCVEGCSA-N 1 0 278.308 1.790 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]21 ZINC000831728748 731954426 /nfs/dbraw/zinc/95/44/26/731954426.db2.gz KOSIVBCPLHICSE-RISCZKNCSA-N 1 0 279.315 1.870 20 5 CDBDRO Cn1ccc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819226142 731993255 /nfs/dbraw/zinc/99/32/55/731993255.db2.gz AMCSADWMZRUNSV-AWEZNQCLSA-N 1 0 290.323 1.194 20 5 CDBDRO CCC(C)(C)[NH+]1CCN(Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC000848497903 732012986 /nfs/dbraw/zinc/01/29/86/732012986.db2.gz PSFFSJSVDCHRSY-UHFFFAOYSA-N 1 0 295.387 1.863 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H](C)[NH3+] ZINC000310961462 732024466 /nfs/dbraw/zinc/02/44/66/732024466.db2.gz BSPPMLHKJIYGEH-SECBINFHSA-N 1 0 253.302 1.382 20 5 CDBDRO Cc1noc(C2C[NH+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000877579891 732058996 /nfs/dbraw/zinc/05/89/96/732058996.db2.gz HSHNUOPSFCDOSH-UHFFFAOYSA-N 1 0 288.307 1.928 20 5 CDBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000088059354 732063300 /nfs/dbraw/zinc/06/33/00/732063300.db2.gz VLANPCLDVFIEOP-VIFPVBQESA-N 1 0 264.285 1.420 20 5 CDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834469545 732070124 /nfs/dbraw/zinc/07/01/24/732070124.db2.gz GYRKSUVEVUARAC-NSHDSACASA-N 1 0 292.339 1.391 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H](C)[NH3+] ZINC000859683885 732105243 /nfs/dbraw/zinc/10/52/43/732105243.db2.gz BCOGUNVGFQLMOX-SECBINFHSA-N 1 0 296.327 1.804 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc(C[C@H]3CSCC[NH2+]3)n2)o1 ZINC000843238399 732121274 /nfs/dbraw/zinc/12/12/74/732121274.db2.gz QUSDIPGEPSEKPV-ZETCQYMHSA-N 1 0 296.308 1.485 20 5 CDBDRO Cn1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819196238 732169126 /nfs/dbraw/zinc/16/91/26/732169126.db2.gz FFMYFLPSHYJNNN-ZDUSSCGKSA-N 1 0 276.296 1.152 20 5 CDBDRO [NH3+][C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000261929509 732345473 /nfs/dbraw/zinc/34/54/73/732345473.db2.gz LJASWPAZMJKAMK-SECBINFHSA-N 1 0 255.705 1.781 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818019328 732393231 /nfs/dbraw/zinc/39/32/31/732393231.db2.gz VPIJAQVZRBQNQU-OAHLLOKOSA-N 1 0 289.335 1.871 20 5 CDBDRO CSc1ccc(C(=O)N2CC[C@@](C)([NH3+])C2)cc1[N+](=O)[O-] ZINC000700664073 732396499 /nfs/dbraw/zinc/39/64/99/732396499.db2.gz UKARTXHHGUKLNT-CYBMUJFWSA-N 1 0 295.364 1.880 20 5 CDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000715114791 732444123 /nfs/dbraw/zinc/44/41/23/732444123.db2.gz XXCDZIZIJBANDS-OTSSQURYSA-N 1 0 283.715 1.715 20 5 CDBDRO C[C@H]([NH2+]C[C@H]1CCC(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000851897840 732458622 /nfs/dbraw/zinc/45/86/22/732458622.db2.gz RKWFGRXFZLXNEM-JOYOIKCWSA-N 1 0 264.281 1.951 20 5 CDBDRO C[C@@H]([NH3+])CN(C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000877098901 732488029 /nfs/dbraw/zinc/48/80/29/732488029.db2.gz XFOUBXOHTCLDJQ-SNVBAGLBSA-N 1 0 281.312 1.169 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000843484939 732495367 /nfs/dbraw/zinc/49/53/67/732495367.db2.gz XASDGIXXQDMOJI-SECBINFHSA-N 1 0 296.283 1.279 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877106556 732564085 /nfs/dbraw/zinc/56/40/85/732564085.db2.gz SKRXZWYPKIBOJN-SNVBAGLBSA-N 1 0 279.340 1.939 20 5 CDBDRO CC[NH+]1CCC(NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000822236500 732604006 /nfs/dbraw/zinc/60/40/06/732604006.db2.gz BTFVDVSDCMFOCU-UHFFFAOYSA-N 1 0 271.361 1.422 20 5 CDBDRO C[NH+]1CCC2(CCN2C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000889221853 732772357 /nfs/dbraw/zinc/77/23/57/732772357.db2.gz UZAUOSUTMDEJCQ-UHFFFAOYSA-N 1 0 283.372 1.519 20 5 CDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000843454468 732775627 /nfs/dbraw/zinc/77/56/27/732775627.db2.gz BLGROCQBOHZXRY-SSDOTTSWSA-N 1 0 296.283 1.279 20 5 CDBDRO C[C@H]1COC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000932493684 732814402 /nfs/dbraw/zinc/81/44/02/732814402.db2.gz CDRNPSWWVOTRLW-GWCFXTLKSA-N 1 0 293.323 1.548 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(Cc3ccc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC000931281877 732827406 /nfs/dbraw/zinc/82/74/06/732827406.db2.gz YSZCDKUMOCZCGF-IMRBUKKESA-N 1 0 279.315 1.726 20 5 CDBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc([N+](=O)[O-])s1 ZINC000870977803 732838944 /nfs/dbraw/zinc/83/89/44/732838944.db2.gz WXAYJJJCKSVORK-ILWJIGKKSA-N 1 0 295.364 1.917 20 5 CDBDRO [NH3+]CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841854912 732884434 /nfs/dbraw/zinc/88/44/34/732884434.db2.gz GIEYDKHUEOOYIY-UHFFFAOYSA-N 1 0 272.692 1.006 20 5 CDBDRO C[C@@H](CCNC(=O)c1cc(F)ccc1[N+](=O)[O-])[NH+](C)C ZINC000700428835 732932256 /nfs/dbraw/zinc/93/22/56/732932256.db2.gz VUMSMAOCBQZNNG-VIFPVBQESA-N 1 0 283.303 1.804 20 5 CDBDRO CSC[C@@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000229362360 732972287 /nfs/dbraw/zinc/97/22/87/732972287.db2.gz SOAMLIJDAKVUBW-SKDRFNHKSA-N 1 0 270.354 1.969 20 5 CDBDRO C[C@@H](c1cccnc1)N1CCN(CC[N+](=O)[O-])CC1 ZINC000791052385 733012702 /nfs/dbraw/zinc/01/27/02/733012702.db2.gz MQHWFMRIKQKXLA-LBPRGKRZSA-N 1 0 264.329 1.037 20 5 CDBDRO CN(C)CC(C)(C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839094136 733054132 /nfs/dbraw/zinc/05/41/32/733054132.db2.gz RKNGTLMFOSMJTN-CYBMUJFWSA-N 1 0 281.356 1.558 20 5 CDBDRO Cc1nc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC001155634170 1167270500 /nfs/dbraw/zinc/27/05/00/1167270500.db2.gz ADANQKTZJQYMPZ-GXFFZTMASA-N 1 0 293.327 1.016 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC=[NH2+])c1F ZINC001173176227 912282889 /nfs/dbraw/zinc/28/28/89/912282889.db2.gz FGUQTKWCNLITNX-SSDOTTSWSA-N 1 0 255.249 1.870 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCO1 ZINC001173215646 912298960 /nfs/dbraw/zinc/29/89/60/912298960.db2.gz XQYITOQRFZRAHU-GXFFZTMASA-N 1 0 250.298 1.904 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](C)(O)C1 ZINC001173221184 912304503 /nfs/dbraw/zinc/30/45/03/912304503.db2.gz GDTGCFAUWCUNCL-SMDDNHRTSA-N 1 0 264.325 1.983 20 5 CDBDRO C[C@H](CCO)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173213789 912335844 /nfs/dbraw/zinc/33/58/44/912335844.db2.gz KLZXCLGXLXNTBU-MNOVXSKESA-N 1 0 252.314 1.886 20 5 CDBDRO O=[N+]([O-])c1ccnn1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000172957783 912427226 /nfs/dbraw/zinc/42/72/26/912427226.db2.gz NDUOTTRINAJRBO-ZDUSSCGKSA-N 1 0 293.371 1.557 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1NCc1cccnn1)C[NH2+]C2 ZINC001167327497 895279858 /nfs/dbraw/zinc/27/98/58/895279858.db2.gz GEKSTWAOIHUHDZ-UHFFFAOYSA-N 1 0 271.280 1.600 20 5 CDBDRO C[C@H](OCC[NH+](C)C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001206272510 914113143 /nfs/dbraw/zinc/11/31/43/914113143.db2.gz HSBIKGGLSPYTMX-VIFPVBQESA-N 1 0 282.296 1.963 20 5 CDBDRO CC(=O)c1cccc(O[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC001218181187 898461400 /nfs/dbraw/zinc/46/14/00/898461400.db2.gz DIAACNGJXPAQGY-VIFPVBQESA-N 1 0 250.254 1.538 20 5 CDBDRO C[NH2+]CCNc1cc(C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001167722889 899335779 /nfs/dbraw/zinc/33/57/79/899335779.db2.gz FGNSDJLMMHUXBH-UHFFFAOYSA-N 1 0 287.323 1.992 20 5 CDBDRO [NH3+]CCc1ccn(-c2ccc3cnccc3c2[N+](=O)[O-])n1 ZINC001167730556 899486716 /nfs/dbraw/zinc/48/67/16/899486716.db2.gz LVDBHVTVMVVSON-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424029934 900822768 /nfs/dbraw/zinc/82/27/68/900822768.db2.gz QCHFTBOAAUVWGW-HNNXBMFYSA-N 1 0 289.335 1.492 20 5 CDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1cc(F)cc([N+](=O)[O-])c1C ZINC001167898470 901738172 /nfs/dbraw/zinc/73/81/72/901738172.db2.gz ZKQSRCHWPZEJCA-SNVBAGLBSA-N 1 0 299.302 1.735 20 5 CDBDRO COC(=O)c1cccc(O[C@@H](C)C[N+](C)(C)C)c1[N+](=O)[O-] ZINC001227897677 906738124 /nfs/dbraw/zinc/73/81/24/906738124.db2.gz SMZWGMCEONEHQI-JTQLQIEISA-N 1 0 297.331 1.855 20 5 CDBDRO C[C@@H](O)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896370 912051775 /nfs/dbraw/zinc/05/17/75/912051775.db2.gz OQNVNJOFPBQBBV-MFKMUULPSA-N 1 0 264.325 1.813 20 5 CDBDRO C[NH+](C)CC1(NC(=O)CCC(C)(C)[N+](=O)[O-])CCC1 ZINC000831732642 936533074 /nfs/dbraw/zinc/53/30/74/936533074.db2.gz CNQNFZHKEJRUJX-UHFFFAOYSA-N 1 0 271.361 1.422 20 5 CDBDRO CCC1(Nc2ncnc3sc([N+](=O)[O-])cc32)C[NH2+]C1 ZINC001168582993 919287674 /nfs/dbraw/zinc/28/76/74/919287674.db2.gz BYXUXRALSWKTOO-UHFFFAOYSA-N 1 0 279.325 1.763 20 5 CDBDRO CCC1(Nc2ncc([N+](=O)[O-])cc2NC)C[NH2+]C1 ZINC001168582958 919288002 /nfs/dbraw/zinc/28/80/02/919288002.db2.gz AKNGWNVQNZGUOR-UHFFFAOYSA-N 1 0 251.290 1.195 20 5 CDBDRO CCCN(CC)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001163606938 924021126 /nfs/dbraw/zinc/02/11/26/924021126.db2.gz RRSVNCRIEHMGAG-UHFFFAOYSA-N 1 0 265.317 1.308 20 5 CDBDRO C[NH2+]C1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001163701362 924074873 /nfs/dbraw/zinc/07/48/73/924074873.db2.gz KEAZANGCLDOSDR-UHFFFAOYSA-N 1 0 292.673 1.596 20 5 CDBDRO COc1cc(C)nc(N[C@@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001154984045 926295561 /nfs/dbraw/zinc/29/55/61/926295561.db2.gz DHYUNYMYVRVZCH-VHSXEESVSA-N 1 0 280.328 1.989 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCCCCCC[NH3+] ZINC000843511398 937157946 /nfs/dbraw/zinc/15/79/46/937157946.db2.gz BLCQXULZOZXKLL-UHFFFAOYSA-N 1 0 280.328 1.426 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccc(O)cc2)C1 ZINC001168976201 927559897 /nfs/dbraw/zinc/55/98/97/927559897.db2.gz ZJGPATLIBVDTPJ-OSMZGAPFSA-N 1 0 280.324 1.461 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)nn2)C1 ZINC001168977764 927563158 /nfs/dbraw/zinc/56/31/58/927563158.db2.gz LRPWDCLFMFUPFO-IUCAKERBSA-N 1 0 270.720 1.665 20 5 CDBDRO C[C@H](Cc1cnccn1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977853 927565054 /nfs/dbraw/zinc/56/50/54/927565054.db2.gz MYMAYGRPXLEXEW-WOPDTQHZSA-N 1 0 264.329 1.443 20 5 CDBDRO CC1(C)OCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CO1 ZINC001168978430 927565269 /nfs/dbraw/zinc/56/52/69/927565269.db2.gz SBSUIRPWTHGEPM-UWVGGRQHSA-N 1 0 258.318 1.173 20 5 CDBDRO O=C(CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)Nc1nccs1 ZINC001168978162 927566152 /nfs/dbraw/zinc/56/61/52/927566152.db2.gz PASCCOXFJURYER-ZJUUUORDSA-N 1 0 298.368 1.507 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](CO)c2ccccc2)C1 ZINC001168956839 927576846 /nfs/dbraw/zinc/57/68/46/927576846.db2.gz FZLBFGDTJOZLSB-KWCYVHTRSA-N 1 0 264.325 1.755 20 5 CDBDRO Cc1cnc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001168958863 927580203 /nfs/dbraw/zinc/58/02/03/927580203.db2.gz QMZFPLQGGDITKT-MNOVXSKESA-N 1 0 250.302 1.320 20 5 CDBDRO Cc1nnc2ccc(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)cn12 ZINC001168997941 927603166 /nfs/dbraw/zinc/60/31/66/927603166.db2.gz GRQWAOSWESLPBW-WCQYABFASA-N 1 0 289.339 1.573 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CC[C@](O)(CF)[C@@H](F)C2)C1 ZINC001169011553 927616192 /nfs/dbraw/zinc/61/61/92/927616192.db2.gz KWLYGGYVEKXIGK-USZNOCQGSA-N 1 0 278.299 1.176 20 5 CDBDRO COC(=O)C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169011573 927616593 /nfs/dbraw/zinc/61/65/93/927616593.db2.gz LBIYHRIMPCTXKB-PWSUYJOCSA-N 1 0 270.329 1.317 20 5 CDBDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC[C@]1(C)O ZINC001169012223 927618233 /nfs/dbraw/zinc/61/82/33/927618233.db2.gz OTGZWAHFLOLANB-SYQHCUMBSA-N 1 0 270.373 1.915 20 5 CDBDRO COC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169013109 927620378 /nfs/dbraw/zinc/62/03/78/927620378.db2.gz TZWMYADQQYVCQV-UTUOFQBUSA-N 1 0 270.329 1.459 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(CO)CCSCC2)C1 ZINC001168988418 927624543 /nfs/dbraw/zinc/62/45/43/927624543.db2.gz SAQCPHGRDTVVMA-GHMZBOCLSA-N 1 0 274.386 1.280 20 5 CDBDRO CCCCC[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)NC ZINC001168988174 927624779 /nfs/dbraw/zinc/62/47/79/927624779.db2.gz OSLYAHZQGSSKTG-AGIUHOORSA-N 1 0 285.388 1.716 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccn2)C1 ZINC001168987951 927625237 /nfs/dbraw/zinc/62/52/37/927625237.db2.gz LQDGYULGBIMMNL-KOLCDFICSA-N 1 0 253.277 1.756 20 5 CDBDRO COC(=O)C[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035985 927644598 /nfs/dbraw/zinc/64/45/98/927644598.db2.gz DZYZEOSMWPANCU-GRYCIOLGSA-N 1 0 270.329 1.459 20 5 CDBDRO CN(C)C[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037698 927646176 /nfs/dbraw/zinc/64/61/76/927646176.db2.gz SWITWOLAJCSDHV-UPJWGTAASA-N 1 0 255.362 1.458 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCN3CC(F)(F)C[C@H]3C2)C1 ZINC001169037050 927648321 /nfs/dbraw/zinc/64/83/21/927648321.db2.gz IDQHMOIOSRAXHB-SRVKXCTJSA-N 1 0 289.326 1.457 20 5 CDBDRO C[C@@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H](C)N1C ZINC001169038416 927650130 /nfs/dbraw/zinc/65/01/30/927650130.db2.gz YSNZHVISCVJGSO-RNJOBUHISA-N 1 0 255.362 1.456 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@]3(C2)CCCOC3)C1 ZINC001169039960 927652679 /nfs/dbraw/zinc/65/26/79/927652679.db2.gz WIYCIXAMTRRQCQ-MGPQQGTHSA-N 1 0 268.357 1.934 20 5 CDBDRO C[C@H]1C[C@H]2C[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@H]2O1 ZINC001169017563 927657608 /nfs/dbraw/zinc/65/76/08/927657608.db2.gz APZQGAYIWKUPQW-HTVCTNPSSA-N 1 0 268.357 1.931 20 5 CDBDRO CCN1CCO[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169024819 927663598 /nfs/dbraw/zinc/66/35/98/927663598.db2.gz RAYVDGHUDXGOFW-LXTVHRRPSA-N 1 0 297.399 1.084 20 5 CDBDRO CO[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581266 927754941 /nfs/dbraw/zinc/75/49/41/927754941.db2.gz GIAJPMIESNXSQR-KBPBESRZSA-N 1 0 280.324 1.739 20 5 CDBDRO C[C@@H]([NH3+])c1ccn(-c2ncnc3sc([N+](=O)[O-])cc32)n1 ZINC001169231655 927841223 /nfs/dbraw/zinc/84/12/23/927841223.db2.gz OXONLRHCRFNGHC-ZCFIWIBFSA-N 1 0 290.308 1.805 20 5 CDBDRO Cc1cc(Cl)c(-n2nncc2C[NH3+])c([N+](=O)[O-])c1 ZINC001169311722 927949135 /nfs/dbraw/zinc/94/91/35/927949135.db2.gz SVNRIZPOEVHDBU-UHFFFAOYSA-N 1 0 267.676 1.596 20 5 CDBDRO C[NH+](C)C[C@H]1CCCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000853244014 927991487 /nfs/dbraw/zinc/99/14/87/927991487.db2.gz AQGNGIKPNHLUMV-SNVBAGLBSA-N 1 0 280.328 1.473 20 5 CDBDRO CN(C)c1ccc(-n2ccc(C[NH3+])c2)c([N+](=O)[O-])c1 ZINC001169725629 928344089 /nfs/dbraw/zinc/34/40/89/928344089.db2.gz IHODXRMEAWRAOD-UHFFFAOYSA-N 1 0 260.297 1.910 20 5 CDBDRO [NH3+]Cc1ccn(-c2ncnc3[nH]cc([N+](=O)[O-])c32)c1 ZINC001169723068 928377738 /nfs/dbraw/zinc/37/77/38/928377738.db2.gz LLPBOYRZYWLMHT-UHFFFAOYSA-N 1 0 258.241 1.116 20 5 CDBDRO [NH3+]Cc1ccc2nnn(-c3ccc([N+](=O)[O-])cn3)c2c1 ZINC001170018629 929022248 /nfs/dbraw/zinc/02/22/48/929022248.db2.gz QORIGWCDGUEOIE-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000128952660 929820624 /nfs/dbraw/zinc/82/06/24/929820624.db2.gz IMDWJEYHHPMXRY-SNVBAGLBSA-N 1 0 264.285 1.420 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@@H]2C[C@@H]([NH3+])C2(C)C)c1[N+](=O)[O-] ZINC000884355879 930535053 /nfs/dbraw/zinc/53/50/53/930535053.db2.gz TXCDNDWDMXGCAK-GHMZBOCLSA-N 1 0 295.314 1.898 20 5 CDBDRO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000886127587 930810352 /nfs/dbraw/zinc/81/03/52/930810352.db2.gz NLRANFMBQQRROD-ZYHUDNBSSA-N 1 0 265.313 1.895 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H]2CN(Cc3cccnc3[N+](=O)[O-])C[C@@H]21 ZINC000886832938 930970672 /nfs/dbraw/zinc/97/06/72/930970672.db2.gz PVDZPDHAIMNHGY-WCFLWFBJSA-N 1 0 276.340 1.549 20 5 CDBDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2cccnc2[N+](=O)[O-])[C@H]1C ZINC000886841705 930973039 /nfs/dbraw/zinc/97/30/39/930973039.db2.gz SPNSWFBJPVVPDX-MDZLAQPJSA-N 1 0 278.356 1.938 20 5 CDBDRO CC[NH+](CC)C[C@H](C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823310657 931286898 /nfs/dbraw/zinc/28/68/98/931286898.db2.gz OQINIHUSTGJCDV-NSHDSACASA-N 1 0 273.377 1.668 20 5 CDBDRO COc1nc(C)nc(NC[C@@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC001171327984 932680495 /nfs/dbraw/zinc/68/04/95/932680495.db2.gz KOQDZIRTIMRVJC-VIFPVBQESA-N 1 0 281.316 1.256 20 5 CDBDRO O=C(Nc1cc([N+](=O)[O-])n[nH]1)C1CC[NH+](C2CC2)CC1 ZINC001155043940 937625935 /nfs/dbraw/zinc/62/59/35/937625935.db2.gz UFDRKRRUMUIORO-UHFFFAOYSA-N 1 0 279.300 1.131 20 5 CDBDRO COC(=O)c1cc(NC[C@H]2CCCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC001171333743 932737357 /nfs/dbraw/zinc/73/73/57/932737357.db2.gz DOVQKSPLCDBLDE-LLVKDONJSA-N 1 0 293.323 1.935 20 5 CDBDRO Nc1nc(NC[C@]2(F)CCCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001155117165 937637235 /nfs/dbraw/zinc/63/72/35/937637235.db2.gz ORWMROAMHBSIEW-LBPRGKRZSA-N 1 0 283.307 1.466 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@@H]2CC[NH2+][C@@H]2C)n1 ZINC001155187399 937645730 /nfs/dbraw/zinc/64/57/30/937645730.db2.gz BBOJJVKGWFTVDE-IYSWYEEDSA-N 1 0 271.708 1.509 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001155914644 937688226 /nfs/dbraw/zinc/68/82/26/937688226.db2.gz KPEIYCQEPHYJQN-VIFPVBQESA-N 1 0 275.312 1.900 20 5 CDBDRO CCN(CC[N+](=O)[O-])Cc1ccc(C[NH+](C)C)cc1 ZINC000931271211 933528332 /nfs/dbraw/zinc/52/83/32/933528332.db2.gz FJJULVARZPRTJQ-UHFFFAOYSA-N 1 0 265.357 1.847 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC001122209142 937913060 /nfs/dbraw/zinc/91/30/60/937913060.db2.gz BJGJBHOHUYVVEB-NEPJUHHUSA-N 1 0 291.351 1.960 20 5 CDBDRO CCOc1nc(-n2nc(C[NH3+])cc2C)ccc1[N+](=O)[O-] ZINC001156042534 938313740 /nfs/dbraw/zinc/31/37/40/938313740.db2.gz LBJLEJYVABPQJU-UHFFFAOYSA-N 1 0 277.284 1.341 20 5 CDBDRO CC(C)N(CCC[NH3+])c1ccc([N+](=O)[O-])c(N)n1 ZINC001156117902 938321587 /nfs/dbraw/zinc/32/15/87/938321587.db2.gz HEUTVEANDMNPSE-UHFFFAOYSA-N 1 0 253.306 1.136 20 5 CDBDRO Cc1ncc(C[NH3+])c(=N)n1-c1ncc(Cl)cc1[N+](=O)[O-] ZINC001156824809 938422835 /nfs/dbraw/zinc/42/28/35/938422835.db2.gz DFKUBOOLAFCVQW-UHFFFAOYSA-N 1 0 294.702 1.075 20 5 CDBDRO Cc1ccnc(N(C)[C@@]2(C)CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001156956926 938438948 /nfs/dbraw/zinc/43/89/48/938438948.db2.gz RYRHNHPMCRKHSB-ZDUSSCGKSA-N 1 0 264.329 1.877 20 5 CDBDRO Cc1ccnc(N2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001157259687 938470280 /nfs/dbraw/zinc/47/02/80/938470280.db2.gz FJPFYHBNHUGPHO-NWDGAFQWSA-N 1 0 276.340 1.829 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2-n1ccc2c1CC[NH2+]C2 ZINC001157444148 938492663 /nfs/dbraw/zinc/49/26/63/938492663.db2.gz GPJVNTIKBJDAGA-UHFFFAOYSA-N 1 0 295.302 1.974 20 5 CDBDRO NC(=[NH2+])c1nccn1-c1nccc(Cl)c1[N+](=O)[O-] ZINC001157621545 938521149 /nfs/dbraw/zinc/52/11/49/938521149.db2.gz QQNLGTXSHYPJMW-UHFFFAOYSA-N 1 0 266.648 1.113 20 5 CDBDRO CC(C)Oc1nc(N2CC[C@@](F)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC001157817122 938551359 /nfs/dbraw/zinc/55/13/59/938551359.db2.gz RKQPVHQYBJWFQL-CYBMUJFWSA-N 1 0 298.318 1.654 20 5 CDBDRO Cc1ccnc(-n2cc3c(n2)CC[C@H]([NH3+])C3)c1[N+](=O)[O-] ZINC001157980527 938571615 /nfs/dbraw/zinc/57/16/15/938571615.db2.gz XWAQIMMSQCWPLG-JTQLQIEISA-N 1 0 273.296 1.300 20 5 CDBDRO Cc1cnc(C[NH3+])n1-c1nc(C)nc(Cl)c1[N+](=O)[O-] ZINC001158162972 938588584 /nfs/dbraw/zinc/58/85/84/938588584.db2.gz KTVVWGUCZSACND-UHFFFAOYSA-N 1 0 282.691 1.299 20 5 CDBDRO [NH3+]Cc1cccc2c1cnn2-c1cccc([N+](=O)[O-])n1 ZINC001158308471 938607244 /nfs/dbraw/zinc/60/72/44/938607244.db2.gz XEQGIOOJUFFGIU-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO CC1(C)C[NH2+]C[C@H](CNc2cc([N+](=O)[O-])ccn2)O1 ZINC001161950284 938947416 /nfs/dbraw/zinc/94/74/16/938947416.db2.gz DFJPNUXWFHTSOQ-SNVBAGLBSA-N 1 0 266.301 1.169 20 5 CDBDRO COc1cc([N+](=O)[O-])c(-n2cnc(C[NH3+])c2)cc1F ZINC001162302613 938975282 /nfs/dbraw/zinc/97/52/82/938975282.db2.gz WJHDBPSWQYAHDX-UHFFFAOYSA-N 1 0 266.232 1.387 20 5 CDBDRO C[N@@H+]1CCC[C@@](C)(Nc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001162336396 939027297 /nfs/dbraw/zinc/02/72/97/939027297.db2.gz ATBMEGUYJZTHLA-GFCCVEGCSA-N 1 0 265.317 1.468 20 5 CDBDRO COc1cnc(N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001162391838 939043163 /nfs/dbraw/zinc/04/31/63/939043163.db2.gz CSOQEJNCFRBINA-BDAKNGLRSA-N 1 0 266.301 1.680 20 5 CDBDRO COC(=O)Cc1ccc(N[C@@H]2CC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC001162675947 939112309 /nfs/dbraw/zinc/11/23/09/939112309.db2.gz IRRQTXXZCIBYDI-BXKDBHETSA-N 1 0 293.323 1.473 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001163101841 939201075 /nfs/dbraw/zinc/20/10/75/939201075.db2.gz YMBLORJWVNMNRV-NQBHXWOUSA-N 1 0 277.324 1.550 20 5 CDBDRO Cc1c(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)cc(F)cc1[N+](=O)[O-] ZINC001163141700 939211918 /nfs/dbraw/zinc/21/19/18/939211918.db2.gz SOCUTAJVAWPEDH-YUSALJHKSA-N 1 0 281.287 1.441 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1ccc2ncc([N+](=O)[O-])n2c1 ZINC001163777161 939328803 /nfs/dbraw/zinc/32/88/03/939328803.db2.gz SPKVRIBBPWQPLX-VIFPVBQESA-N 1 0 263.301 1.605 20 5 CDBDRO C[C@@H]1CC[C@H](C[NH3+])CN1c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001164463177 939476037 /nfs/dbraw/zinc/47/60/37/939476037.db2.gz XQJNKSNTTFXOQJ-RKDXNWHRSA-N 1 0 295.299 1.462 20 5 CDBDRO C[NH+](C)C[C@H]1CCCN1c1cc(N)c([N+](=O)[O-])cn1 ZINC001165078534 939508347 /nfs/dbraw/zinc/50/83/47/939508347.db2.gz YUMOXECADJBJIV-SECBINFHSA-N 1 0 265.317 1.102 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC(C)([NH+](C)C)C1 ZINC001165116931 939511560 /nfs/dbraw/zinc/51/15/60/939511560.db2.gz NEYPPQXMQPOAGI-UHFFFAOYSA-N 1 0 250.302 1.439 20 5 CDBDRO CN(C1C[NH2+]C1)C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001165127835 939514757 /nfs/dbraw/zinc/51/47/57/939514757.db2.gz XOCCZWKPZMPDIW-UHFFFAOYSA-N 1 0 292.673 1.596 20 5 CDBDRO COc1nc(N2CC[N@H+](C(C)C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001165199150 939522475 /nfs/dbraw/zinc/52/24/75/939522475.db2.gz JXCAKBRNACKNRQ-LLVKDONJSA-N 1 0 294.355 1.917 20 5 CDBDRO COc1cc(N2CCC3(CC([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001165244269 939532231 /nfs/dbraw/zinc/53/22/31/939532231.db2.gz XSYPZEJPOYJGRY-UHFFFAOYSA-N 1 0 292.339 1.706 20 5 CDBDRO Nc1nc(N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)ccc1[N+](=O)[O-] ZINC001165435748 939565391 /nfs/dbraw/zinc/56/53/91/939565391.db2.gz XJHSOFMNHMXOMJ-BDAKNGLRSA-N 1 0 295.318 1.085 20 5 CDBDRO COc1cnc(N(C)C[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001166955976 939659244 /nfs/dbraw/zinc/65/92/44/939659244.db2.gz ORTHSDDVHGJNNY-SECBINFHSA-N 1 0 266.301 1.044 20 5 CDBDRO Cc1nc(N2CC[C@@H]([NH3+])C(F)(F)C2)ccc1[N+](=O)[O-] ZINC001166960315 939660780 /nfs/dbraw/zinc/66/07/80/939660780.db2.gz OPQPMISJOATUEL-SECBINFHSA-N 1 0 272.255 1.471 20 5 CDBDRO COc1cccc(C(=O)CO[C@@H](C)C[N+](C)(C)C)c1 ZINC001204782747 939790741 /nfs/dbraw/zinc/79/07/41/939790741.db2.gz UYQMURUHHDATME-LBPRGKRZSA-N 1 0 266.361 1.989 20 5 CDBDRO CC(C)=CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001205230044 939839614 /nfs/dbraw/zinc/83/96/14/939839614.db2.gz MFTSYYVZGGWBMX-ZIAGYGMSSA-N 1 0 295.383 1.446 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCc1ccc2nonc2c1 ZINC001209874581 940648992 /nfs/dbraw/zinc/64/89/92/940648992.db2.gz ATFPLHAEPTYKBA-JTQLQIEISA-N 1 0 250.322 1.834 20 5 CDBDRO C[C@@]1([NH3+])CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000405739525 940995290 /nfs/dbraw/zinc/99/52/90/940995290.db2.gz BPIBWCFOOXHBFR-BTKRWWFXSA-N 1 0 275.308 1.558 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@@](C)([NH3+])C2)c1[N+](=O)[O-] ZINC000405823770 940998521 /nfs/dbraw/zinc/99/85/21/940998521.db2.gz LCXNONKAANEUAK-CYBMUJFWSA-N 1 0 263.297 1.467 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CC[NH2+]C2)c1 ZINC001218179655 941042427 /nfs/dbraw/zinc/04/24/27/941042427.db2.gz DCQKYBPMJQXMJH-VIFPVBQESA-N 1 0 266.253 1.122 20 5 CDBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[NH2+]C2)nc1Cl ZINC001218283958 941051199 /nfs/dbraw/zinc/05/11/99/941051199.db2.gz MSGLRFWLVHNCHB-SSDOTTSWSA-N 1 0 257.677 1.774 20 5 CDBDRO [NH3+]CCNC(=O)c1ccc2oc3ccccc3c(=O)c2c1 ZINC001219878326 941392467 /nfs/dbraw/zinc/39/24/67/941392467.db2.gz YSXDIYKGFASVKF-UHFFFAOYSA-N 1 0 282.299 1.635 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H]([NH3+])C(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000720726212 941474091 /nfs/dbraw/zinc/47/40/91/941474091.db2.gz HRFIFCVHGLBYOM-LBPRGKRZSA-N 1 0 277.324 1.713 20 5 CDBDRO COC(=O)c1cc(CO[C@@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001223689430 941691474 /nfs/dbraw/zinc/69/14/74/941691474.db2.gz ZWKSBPMVSBGMCS-CYBMUJFWSA-N 1 0 294.307 1.602 20 5 CDBDRO COC(=O)[C@H](OCCC[N+](C)(C)C)C(F)(F)F ZINC001224619844 941776362 /nfs/dbraw/zinc/77/63/62/941776362.db2.gz SJQVVKYLNSCAPJ-QMMMGPOBSA-N 1 0 258.260 1.203 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C)OC[C@@H]1CCCC[N@@H+]1C ZINC001224702559 941784202 /nfs/dbraw/zinc/78/42/02/941784202.db2.gz NLOVCUCUCQFITQ-AAEUAGOBSA-N 1 0 296.371 1.989 20 5 CDBDRO CCOC(=O)[C@H]1CCC[C@H](OCC[N+](C)(C)C)C1 ZINC001224776555 941789979 /nfs/dbraw/zinc/78/99/79/941789979.db2.gz XSHIVTNXDWMMDO-STQMWFEESA-N 1 0 258.382 1.831 20 5 CDBDRO C[C@H](C[NH+](C)C)OCCOc1ccc([N+](=O)[O-])cc1 ZINC001224777115 941791098 /nfs/dbraw/zinc/79/10/98/941791098.db2.gz LRJDCOFQVKKKSN-LLVKDONJSA-N 1 0 268.313 1.940 20 5 CDBDRO COc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001225254806 941834524 /nfs/dbraw/zinc/83/45/24/941834524.db2.gz MHCVXVUDROZSNS-LLVKDONJSA-N 1 0 268.333 1.058 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(Cl)ccc1F ZINC001226689959 942048651 /nfs/dbraw/zinc/04/86/51/942048651.db2.gz JXJCFAMMNZQTDE-SNVBAGLBSA-N 1 0 290.742 1.842 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CCC[N@H+](C)C2)c1 ZINC001227047824 942120015 /nfs/dbraw/zinc/12/00/15/942120015.db2.gz XNCVLOOACYCAJF-LLVKDONJSA-N 1 0 294.307 1.854 20 5 CDBDRO Cc1ccc(O[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])n1 ZINC001227222969 942152304 /nfs/dbraw/zinc/15/23/04/942152304.db2.gz YOZZDTFAIGWQDL-JTQLQIEISA-N 1 0 251.286 1.771 20 5 CDBDRO COc1cccc([N+](=O)[O-])c1O[C@H](C)C[NH+](C)C ZINC001227700959 942206931 /nfs/dbraw/zinc/20/69/31/942206931.db2.gz JJAWDGRQIFTYDN-SECBINFHSA-N 1 0 254.286 1.932 20 5 CDBDRO C[N@@H+]1CC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001227741917 942215661 /nfs/dbraw/zinc/21/56/61/942215661.db2.gz SWXJLDZSUZWVES-VIFPVBQESA-N 1 0 262.269 1.554 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(c1)CCNC2=O ZINC001227918653 942244277 /nfs/dbraw/zinc/24/42/77/942244277.db2.gz XXFUVDBAKCYSRC-NSHDSACASA-O 1 0 263.361 1.446 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1n[nH]c(-c2ccncc2)n1 ZINC001228700586 942362106 /nfs/dbraw/zinc/36/21/06/942362106.db2.gz UAWZXIPTFMHYMS-JTQLQIEISA-N 1 0 262.337 1.340 20 5 CDBDRO COC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)nc1C ZINC001228708681 942365061 /nfs/dbraw/zinc/36/50/61/942365061.db2.gz RFECUFIOCCKHEZ-SNVBAGLBSA-N 1 0 267.349 1.650 20 5 CDBDRO CNC(=O)c1ccccc1O[C@H](C)C[N+](C)(C)C ZINC001229316818 942449215 /nfs/dbraw/zinc/44/92/15/942449215.db2.gz BDURQDLUFPRHJJ-LLVKDONJSA-O 1 0 251.350 1.520 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000722170237 943962571 /nfs/dbraw/zinc/96/25/71/943962571.db2.gz HLXJXAZNJUUSBW-MRVPVSSYSA-N 1 0 285.731 1.976 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOc2c(C)nccc2[N+](=O)[O-])C1 ZINC001234905594 943970318 /nfs/dbraw/zinc/97/03/18/943970318.db2.gz RKMUALSSQQALPM-LLVKDONJSA-N 1 0 281.312 1.398 20 5 CDBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC001262567648 946720304 /nfs/dbraw/zinc/72/03/04/946720304.db2.gz YVJYEIQNUYOEQO-CMPLNLGQSA-N 1 0 280.324 1.723 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cocn1)C2 ZINC001254574715 947532907 /nfs/dbraw/zinc/53/29/07/947532907.db2.gz KKNNZUOAVHAYCJ-LLVKDONJSA-N 1 0 259.265 1.840 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1(O)CCOCC1)C2 ZINC001254581779 947537980 /nfs/dbraw/zinc/53/79/80/947537980.db2.gz MOTSAARLMRNFNR-CYBMUJFWSA-N 1 0 292.335 1.193 20 5 CDBDRO Cc1nc(=N)n([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1C[NH3+] ZINC001254590084 947542627 /nfs/dbraw/zinc/54/26/27/947542627.db2.gz USURCJITKHICTN-CQSZACIVSA-N 1 0 299.334 1.378 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCOC[C@@H]1F)C2 ZINC001254590025 947543717 /nfs/dbraw/zinc/54/37/17/947543717.db2.gz STPBXVJSEFVAPU-FPMFFAJLSA-N 1 0 280.299 1.779 20 5 CDBDRO CC1(CO)C[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254595902 947547607 /nfs/dbraw/zinc/54/76/07/947547607.db2.gz AGGVUUZLGGZJPN-CYBMUJFWSA-N 1 0 262.309 1.376 20 5 CDBDRO CC1(O)CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254600618 947548704 /nfs/dbraw/zinc/54/87/04/947548704.db2.gz SYGGZDJIPZIYEH-CQSZACIVSA-N 1 0 276.336 1.909 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCCC13COC3)C2 ZINC001254601286 947551302 /nfs/dbraw/zinc/55/13/02/947551302.db2.gz XIUOPIRPVWTYMH-AWEZNQCLSA-N 1 0 274.320 1.927 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H](CC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000723691409 947778397 /nfs/dbraw/zinc/77/83/97/947778397.db2.gz OSDJQZHGOCUBNT-NSHDSACASA-N 1 0 277.324 1.714 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@H](CC[NH3+])C2)c1[N+](=O)[O-] ZINC000723691113 947779748 /nfs/dbraw/zinc/77/97/48/947779748.db2.gz HSBPGMMZALEFLX-NSHDSACASA-N 1 0 277.324 1.714 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@H]1C[NH2+]CC13CC3)C2 ZINC001246127890 947974358 /nfs/dbraw/zinc/97/43/58/947974358.db2.gz CKLMLFHWAGFFLB-OCCSQVGLSA-N 1 0 273.336 1.404 20 5 CDBDRO CN(C1C[NH2+]C1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246834960 948466290 /nfs/dbraw/zinc/46/62/90/948466290.db2.gz WPWKYSLUIMQFCE-ZDUSSCGKSA-N 1 0 275.352 1.746 20 5 CDBDRO C[C@@H]1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H](C)[NH2+]1 ZINC001246963419 948543520 /nfs/dbraw/zinc/54/35/20/948543520.db2.gz HCKDRMLZVNDXAA-RWSFTLGLSA-N 1 0 275.352 1.744 20 5 CDBDRO [NH3+][C@H]1C[C@@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001248310879 949009464 /nfs/dbraw/zinc/00/94/64/949009464.db2.gz SQBWTKYFGJLURK-IAQIWYKVSA-N 1 0 279.231 1.384 20 5 CDBDRO COc1ccc(CNC(=O)C[NH2+]C(C)(C)C)cc1[N+](=O)[O-] ZINC001251551619 950717396 /nfs/dbraw/zinc/71/73/96/950717396.db2.gz DBEXQWNBUGYSCI-UHFFFAOYSA-N 1 0 295.339 1.608 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NCC1([NH+](C)C)CC1 ZINC001325345986 953854856 /nfs/dbraw/zinc/85/48/56/953854856.db2.gz KFUZSNZYDILSQF-UHFFFAOYSA-N 1 0 250.302 1.226 20 5 CDBDRO CC[C@]1(C(=O)N2CCc3c2cccc3[N+](=O)[O-])CC[NH2+]C1 ZINC001325816783 954083066 /nfs/dbraw/zinc/08/30/66/954083066.db2.gz CPBAEDRKOWCNFG-HNNXBMFYSA-N 1 0 289.335 1.874 20 5 CDBDRO C[NH+](C)CC(C)(C)CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335882285 955079914 /nfs/dbraw/zinc/07/99/14/955079914.db2.gz TVOWYDKEINWQOF-CQSZACIVSA-N 1 0 295.383 1.806 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC001328223349 955231212 /nfs/dbraw/zinc/23/12/12/955231212.db2.gz JKELVZQFIOIQMU-VIFPVBQESA-N 1 0 278.312 1.118 20 5 CDBDRO CC(C)([NH3+])CCC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328521610 955322591 /nfs/dbraw/zinc/32/25/91/955322591.db2.gz CMTSZQKVDWKIDX-UHFFFAOYSA-N 1 0 277.324 1.955 20 5 CDBDRO CC1CC([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001330652262 956541990 /nfs/dbraw/zinc/54/19/90/956541990.db2.gz NOTBSCOIEADKPC-NZPNUOCISA-N 1 0 280.324 1.377 20 5 CDBDRO COc1c(O)ccc(C[NH2+]C[C@@H](C)CCCO)c1[N+](=O)[O-] ZINC001308786961 956580613 /nfs/dbraw/zinc/58/06/13/956580613.db2.gz XQAPRJUWBUDRNG-JTQLQIEISA-N 1 0 298.339 1.807 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCC[NH+]1CC=CC1 ZINC001319098556 958375655 /nfs/dbraw/zinc/37/56/55/958375655.db2.gz RJQXVQAFATUIJS-UHFFFAOYSA-N 1 0 275.308 1.125 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H]1CN(C)C(=O)O1)c1ccc([N+](=O)[O-])cc1 ZINC001333740705 958559596 /nfs/dbraw/zinc/55/95/96/958559596.db2.gz LMQKCTHEDGAJCF-BXKDBHETSA-N 1 0 279.296 1.696 20 5 CDBDRO C[C@](O)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001335383127 959759339 /nfs/dbraw/zinc/75/93/39/959759339.db2.gz XRBVUGVNDRNGOW-KGLIPLIRSA-N 1 0 280.324 1.379 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001335427021 959794233 /nfs/dbraw/zinc/79/42/33/959794233.db2.gz ZYCHBMDADFLOFP-KGYLQXTDSA-N 1 0 290.323 1.287 20 5 CDBDRO CC(C)(C)[NH2+]CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001323067336 960430675 /nfs/dbraw/zinc/43/06/75/960430675.db2.gz PLOLSTQQQGNLKW-UHFFFAOYSA-N 1 0 291.311 1.798 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CCC([NH2+]C2CC2)CC1 ZINC001336717595 960502192 /nfs/dbraw/zinc/50/21/92/960502192.db2.gz YGLKOGFUTIKRSA-UHFFFAOYSA-N 1 0 265.317 1.049 20 5 CDBDRO C[N@H+](C[C@@H](O)CN1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001323866042 961012458 /nfs/dbraw/zinc/01/24/58/961012458.db2.gz OCUXBVSGISVBTB-OAHLLOKOSA-N 1 0 291.351 1.366 20 5 CDBDRO CNc1ccc(C(=O)N(CC[NH2+]C)C(C)C)cc1[N+](=O)[O-] ZINC001341012023 963237646 /nfs/dbraw/zinc/23/76/46/963237646.db2.gz PWJKPOZFGRHNHS-UHFFFAOYSA-N 1 0 294.355 1.707 20 5 CDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C[NH2+]C(C)(C)C ZINC001345756709 964804983 /nfs/dbraw/zinc/80/49/83/964804983.db2.gz HDRNLYBNBASQGK-UHFFFAOYSA-N 1 0 293.367 1.984 20 5 CDBDRO C[NH2+][C@@H](C)CCNCc1ccc([N+](=O)[O-])cc1F ZINC001348514156 966035000 /nfs/dbraw/zinc/03/50/00/966035000.db2.gz BMIBYCJYOFBUMG-VIFPVBQESA-N 1 0 255.293 1.822 20 5 CDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NCC[NH+]1CC=CC1 ZINC001348547737 966051133 /nfs/dbraw/zinc/05/11/33/966051133.db2.gz PZJYXFODBXIBLR-UHFFFAOYSA-N 1 0 293.298 1.264 20 5 CDBDRO COC(=O)c1ccc(OC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001349113293 966270523 /nfs/dbraw/zinc/27/05/23/966270523.db2.gz NMBJHBXGVNOUKW-JTQLQIEISA-N 1 0 294.307 1.760 20 5 CDBDRO CC(C)OCC[C@@H](O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001353241571 967813986 /nfs/dbraw/zinc/81/39/86/967813986.db2.gz SIJSCEVDNQTMPB-CYBMUJFWSA-N 1 0 282.340 1.860 20 5 CDBDRO O=C(C1CC[NH2+]CC1)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001574292946 1170941244 /nfs/dbraw/zinc/94/12/44/1170941244.db2.gz NUTXCOZPGIHODY-UHFFFAOYSA-N 1 0 293.298 1.623 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001575459927 1171176711 /nfs/dbraw/zinc/17/67/11/1171176711.db2.gz DTVPCICQGQVTJY-SNVBAGLBSA-N 1 0 284.291 1.839 20 5 CDBDRO CC[NH2+]C1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC001577821337 1171749947 /nfs/dbraw/zinc/74/99/47/1171749947.db2.gz JSRVSLRMVCDLQW-UHFFFAOYSA-N 1 0 297.330 1.805 20 5 CDBDRO Cc1sc(C(=O)N2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000124389313 187135424 /nfs/dbraw/zinc/13/54/24/187135424.db2.gz ZLHNPJHXZNJNFJ-SSDOTTSWSA-N 1 0 269.326 1.399 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000320229348 341993105 /nfs/dbraw/zinc/99/31/05/341993105.db2.gz MAUPJWLLDDGYDG-ZJUUUORDSA-N 1 0 265.313 1.379 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(O)cc2)c1 ZINC000611526548 346812052 /nfs/dbraw/zinc/81/20/52/346812052.db2.gz SXTLFKZBTIEZFA-UHFFFAOYSA-N 1 0 262.269 1.287 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1NCC[N@H+]1CC[C@H](O)C1)CCN2 ZINC000599198962 343979078 /nfs/dbraw/zinc/97/90/78/343979078.db2.gz CQHHBPYPLHHFJL-JTQLQIEISA-N 1 0 292.339 1.041 20 5 CDBDRO Cc1c(CNC(=O)[C@@H](C)C2C[NH2+]C2)cccc1[N+](=O)[O-] ZINC000231856550 341994781 /nfs/dbraw/zinc/99/47/81/341994781.db2.gz OOZPAFLKXQAHAK-JTQLQIEISA-N 1 0 277.324 1.375 20 5 CDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000590402315 342543885 /nfs/dbraw/zinc/54/38/85/342543885.db2.gz CQJQVRRBKCMQOQ-JOYOIKCWSA-N 1 0 293.323 1.465 20 5 CDBDRO CNc1ccc(C(=O)N2CC[C@@H]([NH2+]C)C2)cc1[N+](=O)[O-] ZINC000564797043 365524573 /nfs/dbraw/zinc/52/45/73/365524573.db2.gz NBOMRUUGRQBRNS-SNVBAGLBSA-N 1 0 278.312 1.070 20 5 CDBDRO C[N@H+](CC(=O)NCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000072722477 342559811 /nfs/dbraw/zinc/55/98/11/342559811.db2.gz MAEIHYFJQLXGJQ-UHFFFAOYSA-N 1 0 277.324 1.695 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000237595344 342062336 /nfs/dbraw/zinc/06/23/36/342062336.db2.gz HNMIRPFJOCCJLS-WDEREUQCSA-N 1 0 293.323 1.312 20 5 CDBDRO O=C(CC[C@@H]1CC[NH2+]C1)NCc1cccc([N+](=O)[O-])c1 ZINC000134556432 342071129 /nfs/dbraw/zinc/07/11/29/342071129.db2.gz ZVPLYKUQURIMRK-LLVKDONJSA-N 1 0 277.324 1.601 20 5 CDBDRO CNc1ccc(C(=O)NCC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000565362202 365634029 /nfs/dbraw/zinc/63/40/29/365634029.db2.gz DJSQMVDWYJRYGY-QMMMGPOBSA-N 1 0 266.301 1.104 20 5 CDBDRO CC(C)N(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000533512803 282126960 /nfs/dbraw/zinc/12/69/60/282126960.db2.gz FKSXALPPTNAWBV-UHFFFAOYSA-N 1 0 282.344 1.346 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3CC[NH2+][C@H]3C2)s1 ZINC000591437334 342631848 /nfs/dbraw/zinc/63/18/48/342631848.db2.gz GMWZERTVXMIUQB-IUCAKERBSA-N 1 0 253.327 1.845 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3CC[NH2+][C@H]3C2)s1 ZINC000591437332 342631894 /nfs/dbraw/zinc/63/18/94/342631894.db2.gz GMWZERTVXMIUQB-BDAKNGLRSA-N 1 0 253.327 1.845 20 5 CDBDRO CC(C)([NH3+])CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000591359662 342628137 /nfs/dbraw/zinc/62/81/37/342628137.db2.gz DWYACZSOTNQMLL-UHFFFAOYSA-N 1 0 292.339 1.400 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000591361140 342628391 /nfs/dbraw/zinc/62/83/91/342628391.db2.gz GIRUIQKYDMNKPB-SNVBAGLBSA-N 1 0 292.339 1.616 20 5 CDBDRO CC[N@H+](CCSC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000592203964 342677189 /nfs/dbraw/zinc/67/71/89/342677189.db2.gz QERDDOMHCYDPSK-UHFFFAOYSA-N 1 0 285.369 1.441 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000592215185 342681512 /nfs/dbraw/zinc/68/15/12/342681512.db2.gz ZEDVHBBJVHBMLK-WDEREUQCSA-N 1 0 294.355 1.562 20 5 CDBDRO COC(=O)c1cccc(OC[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000592165645 342671289 /nfs/dbraw/zinc/67/12/89/342671289.db2.gz DDSIGQNCXRNUKK-SECBINFHSA-N 1 0 280.280 1.370 20 5 CDBDRO O=[N+]([O-])c1ccccc1N1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000592475969 342698801 /nfs/dbraw/zinc/69/88/01/342698801.db2.gz XIQVLHYXDSQQQZ-ZDUSSCGKSA-N 1 0 290.367 1.326 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC3(CC3(F)F)CC2)c1 ZINC000593073751 342762634 /nfs/dbraw/zinc/76/26/34/342762634.db2.gz XVJDGHLGPCWMDH-UHFFFAOYSA-N 1 0 286.282 1.913 20 5 CDBDRO C[C@@H](CCO)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000593109220 342769168 /nfs/dbraw/zinc/76/91/68/342769168.db2.gz XDQLDBMHIZWCMG-VIFPVBQESA-N 1 0 278.312 1.674 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000209358413 342203345 /nfs/dbraw/zinc/20/33/45/342203345.db2.gz PHRBKNSSTJGEPP-PWSUYJOCSA-N 1 0 261.281 1.029 20 5 CDBDRO Cc1c(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000158910572 362000265 /nfs/dbraw/zinc/00/02/65/362000265.db2.gz NPSABXLZVRYESW-HNNXBMFYSA-N 1 0 289.335 1.729 20 5 CDBDRO C[C@H](O)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594053751 342873018 /nfs/dbraw/zinc/87/30/18/342873018.db2.gz AHFYSZKYAQIOJD-NSHDSACASA-N 1 0 280.324 1.819 20 5 CDBDRO CCN(CC[NH3+])[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600715178 342246404 /nfs/dbraw/zinc/24/64/04/342246404.db2.gz GHXCJNYVLVJKBG-SNVBAGLBSA-N 1 0 280.328 1.202 20 5 CDBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000609382839 342264301 /nfs/dbraw/zinc/26/43/01/342264301.db2.gz FJVKZBASSPECDO-ZDUSSCGKSA-N 1 0 289.335 1.809 20 5 CDBDRO C[NH2+]C1(CNC(=O)c2cc([N+](=O)[O-])ccc2OC)CCC1 ZINC000600826259 342251807 /nfs/dbraw/zinc/25/18/07/342251807.db2.gz ZFDRYJRYRZFPOX-UHFFFAOYSA-N 1 0 293.323 1.475 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]CC2(O)CCC2)cc1 ZINC000127449259 342268388 /nfs/dbraw/zinc/26/83/88/342268388.db2.gz VYMXPLNCFCXTLI-UHFFFAOYSA-N 1 0 266.297 1.478 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000619249854 349659598 /nfs/dbraw/zinc/65/95/98/349659598.db2.gz VNCUXVLPXHLPGY-MWLCHTKSSA-N 1 0 266.301 1.135 20 5 CDBDRO CCC[C@H](CC)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000050403340 342291310 /nfs/dbraw/zinc/29/13/10/342291310.db2.gz KYGYLZZWCXSTJV-JQWIXIFHSA-N 1 0 270.333 1.321 20 5 CDBDRO Cn1ccnc1[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000534581372 282201377 /nfs/dbraw/zinc/20/13/77/282201377.db2.gz IEMKWSIDXXNPGV-LLVKDONJSA-N 1 0 290.327 1.014 20 5 CDBDRO COC[C@@H](O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595035946 342997937 /nfs/dbraw/zinc/99/79/37/342997937.db2.gz NSXSZFFXPPFALC-PWSUYJOCSA-N 1 0 298.339 1.651 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595049713 342999695 /nfs/dbraw/zinc/99/96/95/342999695.db2.gz DBMHKAANBCWSLD-NXEZZACHSA-N 1 0 295.339 1.779 20 5 CDBDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595296105 343026649 /nfs/dbraw/zinc/02/66/49/343026649.db2.gz IMUMOYQOYCNNPZ-VIFPVBQESA-N 1 0 284.287 1.975 20 5 CDBDRO O=[N+]([O-])c1ccc(Cn2cc(C3CC[NH2+]CC3)nn2)cc1 ZINC000404625714 349775669 /nfs/dbraw/zinc/77/56/69/349775669.db2.gz RCSUYWAOPGFWEF-UHFFFAOYSA-N 1 0 287.323 1.702 20 5 CDBDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595427727 343057477 /nfs/dbraw/zinc/05/74/77/343057477.db2.gz BTUMNGFKWIWXHF-NXEZZACHSA-N 1 0 268.288 1.937 20 5 CDBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595476656 343064312 /nfs/dbraw/zinc/06/43/12/343064312.db2.gz SOGQWKHOKCSTKU-AWEZNQCLSA-N 1 0 295.314 1.692 20 5 CDBDRO CCOC1CC(N(C)Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595496816 343077397 /nfs/dbraw/zinc/07/73/97/343077397.db2.gz IVIQRGZOBNVKKF-UHFFFAOYSA-N 1 0 269.301 1.891 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000128273710 362109250 /nfs/dbraw/zinc/10/92/50/362109250.db2.gz ZSNHRDANYXOMAI-OLZOCXBDSA-N 1 0 291.351 1.930 20 5 CDBDRO COCCOCC[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000079410583 342344164 /nfs/dbraw/zinc/34/41/64/342344164.db2.gz JURBJQPWBXHVFC-UHFFFAOYSA-N 1 0 298.339 1.698 20 5 CDBDRO Cc1c(C[N@@H+]2CCC(=O)N(C)CC2)cccc1[N+](=O)[O-] ZINC000595781338 343154181 /nfs/dbraw/zinc/15/41/81/343154181.db2.gz FZEJYWKPRNBSSJ-UHFFFAOYSA-N 1 0 277.324 1.567 20 5 CDBDRO CC(=O)N1CC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000565844679 365733581 /nfs/dbraw/zinc/73/35/81/365733581.db2.gz YVALMGPSWYKDSH-SECBINFHSA-N 1 0 263.297 1.476 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000595935754 343201944 /nfs/dbraw/zinc/20/19/44/343201944.db2.gz UUMLVHCKTKFWRK-UHFFFAOYSA-N 1 0 284.291 1.125 20 5 CDBDRO CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)(C)[NH3+] ZINC000595901080 343187085 /nfs/dbraw/zinc/18/70/85/343187085.db2.gz CFZNPAJMLUHJDY-UHFFFAOYSA-N 1 0 294.355 1.593 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CC1(C)C ZINC000595910229 343189252 /nfs/dbraw/zinc/18/92/52/343189252.db2.gz RXNOONWYBIVWEC-LLVKDONJSA-N 1 0 279.340 1.734 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000595921985 343192158 /nfs/dbraw/zinc/19/21/58/343192158.db2.gz MDWJTVCVURBHEZ-SNVBAGLBSA-N 1 0 280.328 1.121 20 5 CDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596176936 343261151 /nfs/dbraw/zinc/26/11/51/343261151.db2.gz ACJOYNVYRXTHFR-UWVGGRQHSA-N 1 0 292.339 1.223 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(c2ccc(N)c([N+](=O)[O-])n2)C[C@@H]1C ZINC000596176929 343261364 /nfs/dbraw/zinc/26/13/64/343261364.db2.gz LBFUPMXVDNGUFR-UWVGGRQHSA-N 1 0 279.344 1.491 20 5 CDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc(N)c([N+](=O)[O-])n1 ZINC000596231940 343261670 /nfs/dbraw/zinc/26/16/70/343261670.db2.gz NDDKSPMMPXNFGL-GHMZBOCLSA-N 1 0 291.355 1.635 20 5 CDBDRO C[NH+](C)CC1CN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000596247529 343273803 /nfs/dbraw/zinc/27/38/03/343273803.db2.gz QBLAARSMCWNOKP-UHFFFAOYSA-N 1 0 270.720 1.641 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCNc1cnccn1 ZINC000573815340 362187595 /nfs/dbraw/zinc/18/75/95/362187595.db2.gz OUNYEYQHQDOEAK-ZDUSSCGKSA-N 1 0 299.334 1.496 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000130332393 346941565 /nfs/dbraw/zinc/94/15/65/346941565.db2.gz NQEWLECQDZDATE-SECBINFHSA-N 1 0 268.317 1.181 20 5 CDBDRO CC(C)C[C@H](C[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000111829197 365797067 /nfs/dbraw/zinc/79/70/67/365797067.db2.gz OJTZMAOUKCHODT-GFCCVEGCSA-N 1 0 279.340 1.627 20 5 CDBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[N@@H+](C2CCC2)C1 ZINC000292155021 362265879 /nfs/dbraw/zinc/26/58/79/362265879.db2.gz CODRCVOXRFGJFN-NSHDSACASA-N 1 0 291.355 1.695 20 5 CDBDRO CC[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000599085028 343950879 /nfs/dbraw/zinc/95/08/79/343950879.db2.gz JJILAKJWWLUDRV-HUUCEWRRSA-N 1 0 293.367 1.702 20 5 CDBDRO CCOc1cccc(NCC[N@@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000599175672 343965672 /nfs/dbraw/zinc/96/56/72/343965672.db2.gz HJXZRYRXZGXFBQ-LLVKDONJSA-N 1 0 295.339 1.472 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601559701 344191638 /nfs/dbraw/zinc/19/16/38/344191638.db2.gz VVKHJZGQCJIPPE-OCCSQVGLSA-N 1 0 289.335 1.809 20 5 CDBDRO CO[C@]1(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])CCOC1 ZINC000602439709 344417955 /nfs/dbraw/zinc/41/79/55/344417955.db2.gz LOKLKMWWWXXGJY-AWEZNQCLSA-N 1 0 280.324 1.832 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602590706 344479911 /nfs/dbraw/zinc/47/99/11/344479911.db2.gz YMNBBDGWFMLHER-QWRGUYRKSA-N 1 0 275.308 1.398 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](CO)[C@H]2CCOC2)cc1 ZINC000602642897 344513091 /nfs/dbraw/zinc/51/30/91/344513091.db2.gz CFLWZQJHSWVLPY-KBPBESRZSA-N 1 0 294.351 1.372 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000602800355 344590721 /nfs/dbraw/zinc/59/07/21/344590721.db2.gz LPPWBYXFSLGVLI-QWHCGFSZSA-N 1 0 294.355 1.458 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000602780789 344596562 /nfs/dbraw/zinc/59/65/62/344596562.db2.gz LRRNTNBFVCHLHI-UWVGGRQHSA-N 1 0 284.385 1.926 20 5 CDBDRO CCC[C@]1(CO)CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602818736 344608813 /nfs/dbraw/zinc/60/88/13/344608813.db2.gz OFHNNRKQDXMIMD-CQSZACIVSA-N 1 0 296.371 1.727 20 5 CDBDRO C[NH+](C)C/C=C/C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000265618336 362464055 /nfs/dbraw/zinc/46/40/55/362464055.db2.gz GWWJTRFHODPOQU-ONEGZZNKSA-N 1 0 277.324 1.371 20 5 CDBDRO Cc1ccnc(N[C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000382437710 362465542 /nfs/dbraw/zinc/46/55/42/362465542.db2.gz XJPOKZBKHSFWNE-UWVGGRQHSA-N 1 0 250.302 1.980 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](CO)[C@@H]1C ZINC000602846351 344623641 /nfs/dbraw/zinc/62/36/41/344623641.db2.gz OQSZBZGEKZAANI-CMPLNLGQSA-N 1 0 282.344 1.193 20 5 CDBDRO COC[C@](C)([NH3+])CNc1cc(C)c([N+](=O)[O-])cc1F ZINC000292772563 362504747 /nfs/dbraw/zinc/50/47/47/362504747.db2.gz WXSQRGSMOJRERH-GFCCVEGCSA-N 1 0 271.292 1.818 20 5 CDBDRO Cc1ncc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c(=O)[nH]1 ZINC000344335797 362569895 /nfs/dbraw/zinc/56/98/95/362569895.db2.gz RSHTYHFGUDFMCY-UHFFFAOYSA-N 1 0 274.280 1.689 20 5 CDBDRO C[C@H]1CCC[N@H+](CCNc2ncc([N+](=O)[O-])cn2)C1 ZINC000273245635 192086518 /nfs/dbraw/zinc/08/65/18/192086518.db2.gz ZLGKHTGOZWRSPE-JTQLQIEISA-N 1 0 265.317 1.529 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(NC[C@H]([NH3+])C2CC2)c1 ZINC000129315547 362643303 /nfs/dbraw/zinc/64/33/03/362643303.db2.gz UGODVEFXSQUONZ-JTQLQIEISA-N 1 0 251.286 1.753 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000127541651 187314313 /nfs/dbraw/zinc/31/43/13/187314313.db2.gz LHEKVPRVFUISOV-OQHXTRMZSA-N 1 0 275.308 1.558 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000563119446 293281507 /nfs/dbraw/zinc/28/15/07/293281507.db2.gz VXOAOXDSOCDBIY-QMMMGPOBSA-N 1 0 267.285 1.071 20 5 CDBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)CO ZINC000295136774 199365206 /nfs/dbraw/zinc/36/52/06/199365206.db2.gz BPWGGRQOFILBMR-CYBMUJFWSA-N 1 0 282.340 1.579 20 5 CDBDRO COC(=O)C[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000610447433 346283881 /nfs/dbraw/zinc/28/38/81/346283881.db2.gz JITJVQADAKMQKP-NSHDSACASA-N 1 0 296.327 1.209 20 5 CDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccoc1 ZINC000610447758 346284461 /nfs/dbraw/zinc/28/44/61/346284461.db2.gz QQJDXUWQXBWMBZ-UHFFFAOYSA-N 1 0 264.285 1.906 20 5 CDBDRO O=[N+]([O-])c1sccc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000610541859 346307880 /nfs/dbraw/zinc/30/78/80/346307880.db2.gz FLZDBYWLKGAXRT-NSHDSACASA-N 1 0 297.380 1.815 20 5 CDBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C[NH2+]1 ZINC000086468421 362711013 /nfs/dbraw/zinc/71/10/13/362711013.db2.gz QSOZXJRBMRYWFC-NXEZZACHSA-N 1 0 278.312 1.809 20 5 CDBDRO COc1ccc(CN2C[C@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000086469312 362712251 /nfs/dbraw/zinc/71/22/51/362712251.db2.gz HKMLZOPNXURSTG-WDEREUQCSA-N 1 0 279.340 1.786 20 5 CDBDRO C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000086469246 362712692 /nfs/dbraw/zinc/71/26/92/362712692.db2.gz LXWZMXYRBIAYBA-GHMZBOCLSA-N 1 0 292.339 1.216 20 5 CDBDRO COCCN1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611411314 346778953 /nfs/dbraw/zinc/77/89/53/346778953.db2.gz BMJPTGJWMXDQCR-UHFFFAOYSA-N 1 0 271.342 1.425 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](OCC[NH+](C)C)C1 ZINC000611298002 346739465 /nfs/dbraw/zinc/73/94/65/346739465.db2.gz CXJXLQJZLRCKRX-CYBMUJFWSA-N 1 0 294.355 1.455 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)CC2CC2)c(F)c1 ZINC000611498521 346804602 /nfs/dbraw/zinc/80/46/02/346804602.db2.gz ZMTWGRGBAFNJKJ-NSHDSACASA-N 1 0 268.288 1.985 20 5 CDBDRO C[NH2+]CC1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000124114094 136705689 /nfs/dbraw/zinc/70/56/89/136705689.db2.gz IMYJVUZZOLLERE-UHFFFAOYSA-N 1 0 264.329 1.734 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000069137611 347570817 /nfs/dbraw/zinc/57/08/17/347570817.db2.gz CQTXZWHAUVOPSD-JTQLQIEISA-N 1 0 281.312 1.650 20 5 CDBDRO CN(CCC[NH3+])C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000122213010 347616260 /nfs/dbraw/zinc/61/62/60/347616260.db2.gz LBUGGKLGNXPJKZ-UHFFFAOYSA-N 1 0 271.704 1.669 20 5 CDBDRO CC[NH+](CC)CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000054373464 347821108 /nfs/dbraw/zinc/82/11/08/347821108.db2.gz HVHDEAZVWSAZLW-UHFFFAOYSA-N 1 0 268.317 1.385 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087160458 179398308 /nfs/dbraw/zinc/39/83/08/179398308.db2.gz GNTGTEZYENJDQF-ZDUSSCGKSA-N 1 0 291.351 1.595 20 5 CDBDRO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1CO ZINC000615455829 348514464 /nfs/dbraw/zinc/51/44/64/348514464.db2.gz IRVWJSPFABWVAH-BXKDBHETSA-N 1 0 291.307 1.939 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000026758251 348660992 /nfs/dbraw/zinc/66/09/92/348660992.db2.gz MSUAUILHYYPKNQ-UHFFFAOYSA-N 1 0 285.307 1.711 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCCOCC3)nc2c1 ZINC000618278425 349425014 /nfs/dbraw/zinc/42/50/14/349425014.db2.gz WTYXAXWDYLINTA-UHFFFAOYSA-N 1 0 276.296 1.693 20 5 CDBDRO COCC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C)C1 ZINC000271287795 191051806 /nfs/dbraw/zinc/05/18/06/191051806.db2.gz HROIOXBVPMKVBD-NSHDSACASA-N 1 0 280.328 1.431 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000092133455 180330975 /nfs/dbraw/zinc/33/09/75/180330975.db2.gz HQTYULDFYDMTHA-VIFPVBQESA-N 1 0 251.286 1.697 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000092133869 180331753 /nfs/dbraw/zinc/33/17/53/180331753.db2.gz PZSIXOOFKITEEQ-VIFPVBQESA-N 1 0 251.286 1.067 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000092133955 180331755 /nfs/dbraw/zinc/33/17/55/180331755.db2.gz WKGZRWKZWNUCDG-UWVGGRQHSA-N 1 0 265.313 1.628 20 5 CDBDRO C[C@H]([NH2+][C@H]1CCCNC(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000111828122 350500221 /nfs/dbraw/zinc/50/02/21/350500221.db2.gz DMGCGCIGEYCJHI-JQWIXIFHSA-N 1 0 277.324 1.914 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125900342 351514827 /nfs/dbraw/zinc/51/48/27/351514827.db2.gz RTDRGDLOJFGRGP-WCQGTBRESA-N 1 0 292.339 1.133 20 5 CDBDRO Cc1nc(NC[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000124097374 187122442 /nfs/dbraw/zinc/12/24/42/187122442.db2.gz RWDKXNBXCSSTPF-JTQLQIEISA-N 1 0 250.302 1.710 20 5 CDBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC)cc1[N+](=O)[O-] ZINC000291945182 198113197 /nfs/dbraw/zinc/11/31/97/198113197.db2.gz QENFPHVAWUYMES-ZJUUUORDSA-N 1 0 295.339 1.779 20 5 CDBDRO C[C@@H](CCCC[NH3+])NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000291995188 198129082 /nfs/dbraw/zinc/12/90/82/198129082.db2.gz BPLONFMJHPSZQC-VIFPVBQESA-N 1 0 283.303 1.981 20 5 CDBDRO CC[NH2+]CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000236992669 363189447 /nfs/dbraw/zinc/18/94/47/363189447.db2.gz MJOHPRQBGDJANN-UHFFFAOYSA-N 1 0 292.339 1.508 20 5 CDBDRO C[C@H](CCCC[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000292192608 198197083 /nfs/dbraw/zinc/19/70/83/198197083.db2.gz XPVMBKJHYGBATP-SECBINFHSA-N 1 0 280.328 1.424 20 5 CDBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000292260973 198222101 /nfs/dbraw/zinc/22/21/01/198222101.db2.gz YNMDCMWJRABHRC-ZDUSSCGKSA-N 1 0 280.324 1.475 20 5 CDBDRO COC(=O)[C@H](C)C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153747066 188100922 /nfs/dbraw/zinc/10/09/22/188100922.db2.gz SBQIRPLFEYGWCL-MFKMUULPSA-N 1 0 296.323 1.369 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000158869535 188397949 /nfs/dbraw/zinc/39/79/49/188397949.db2.gz LYDKUTZMTREUBR-HNNXBMFYSA-N 1 0 289.335 1.729 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1OC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000290784426 358493309 /nfs/dbraw/zinc/49/33/09/358493309.db2.gz NJNBTFCEJBHHDI-ZDUSSCGKSA-N 1 0 280.324 1.737 20 5 CDBDRO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000273505990 192180320 /nfs/dbraw/zinc/18/03/20/192180320.db2.gz WFOVRMIETYOYHJ-QMMMGPOBSA-N 1 0 284.291 1.806 20 5 CDBDRO COC[C@H](CCO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219223907 356239142 /nfs/dbraw/zinc/23/91/42/356239142.db2.gz CANOSDVNWXQDPK-JQWIXIFHSA-N 1 0 268.313 1.643 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000358520863 356302471 /nfs/dbraw/zinc/30/24/71/356302471.db2.gz HXJPJYQUVYMZQV-LLVKDONJSA-N 1 0 294.355 1.686 20 5 CDBDRO C[N@@H+]1CC[C@H]2OCCN(Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000332351126 283157568 /nfs/dbraw/zinc/15/75/68/283157568.db2.gz ZKABTWMZWZDMIN-HUUCEWRRSA-N 1 0 291.351 1.500 20 5 CDBDRO CC[N@H+](CCCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000165127205 356371568 /nfs/dbraw/zinc/37/15/68/356371568.db2.gz WZWZVSFJFPWBDD-UHFFFAOYSA-N 1 0 256.277 1.938 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000163375883 356545310 /nfs/dbraw/zinc/54/53/10/356545310.db2.gz VWNVNLFMMQUGFJ-HTQZYQBOSA-N 1 0 269.326 1.466 20 5 CDBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000578688110 356776619 /nfs/dbraw/zinc/77/66/19/356776619.db2.gz DPUAMIFTOUZMTA-LLVKDONJSA-N 1 0 296.371 1.784 20 5 CDBDRO C[NH+](C)CC(C)(C)CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290586874 357226735 /nfs/dbraw/zinc/22/67/35/357226735.db2.gz WTVDDJQLFOOFSS-UHFFFAOYSA-N 1 0 295.343 1.088 20 5 CDBDRO Cc1cc(OC[C@@H](O)C[N@@H+](C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000290728602 357462885 /nfs/dbraw/zinc/46/28/85/357462885.db2.gz FSQYSAZCBSOGKZ-NSHDSACASA-N 1 0 298.314 1.876 20 5 CDBDRO CC[N@H+](CCOCCO)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000282724863 357473321 /nfs/dbraw/zinc/47/33/21/357473321.db2.gz LWFZDZKLTXNNER-UHFFFAOYSA-N 1 0 282.340 1.734 20 5 CDBDRO COc1cc(C[NH2+]CCC2(O)CCC2)c([N+](=O)[O-])cc1O ZINC000283869867 357609448 /nfs/dbraw/zinc/60/94/48/357609448.db2.gz GQAVVEOUBBEBQW-UHFFFAOYSA-N 1 0 296.323 1.704 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000186699280 357677758 /nfs/dbraw/zinc/67/77/58/357677758.db2.gz KKASABHTNVWYBI-PWSUYJOCSA-N 1 0 292.339 1.121 20 5 CDBDRO O=C(NCC[C@H]1CCC[NH2+]C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000135228759 357799095 /nfs/dbraw/zinc/79/90/95/357799095.db2.gz JRQKSNOXEUAPCQ-SNVBAGLBSA-N 1 0 295.314 1.853 20 5 CDBDRO O=CN1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000294342070 199005366 /nfs/dbraw/zinc/00/53/66/199005366.db2.gz YMTPDSFRBURSRD-UHFFFAOYSA-N 1 0 277.324 1.301 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCOCCO ZINC000337422076 358033267 /nfs/dbraw/zinc/03/32/67/358033267.db2.gz BPIUPPQPQKMLIX-NSHDSACASA-N 1 0 268.313 1.597 20 5 CDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1CCC1 ZINC000361479995 358230183 /nfs/dbraw/zinc/23/01/83/358230183.db2.gz BAKZVVMRFATIDR-UHFFFAOYSA-N 1 0 279.340 1.879 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@]1(O)CCOC1)CCC2 ZINC000193050336 358260598 /nfs/dbraw/zinc/26/05/98/358260598.db2.gz QODHPLZDAQBZNC-LSDHHAIUSA-N 1 0 292.335 1.713 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)c1[N+](=O)[O-] ZINC000193531190 358301447 /nfs/dbraw/zinc/30/14/47/358301447.db2.gz GMBBTOBWFPHSRI-BDAKNGLRSA-N 1 0 295.343 1.141 20 5 CDBDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000193577660 358305290 /nfs/dbraw/zinc/30/52/90/358305290.db2.gz PCEQAXLTXMUKMX-CABZTGNLSA-N 1 0 263.297 1.209 20 5 CDBDRO Nc1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000287225405 358336602 /nfs/dbraw/zinc/33/66/02/358336602.db2.gz IYPACLCILIDSPR-GFCCVEGCSA-N 1 0 274.324 1.628 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000287247815 358351294 /nfs/dbraw/zinc/35/12/94/358351294.db2.gz RMGMPPDHYZTGCR-NSHDSACASA-N 1 0 294.355 1.387 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000361657473 358403214 /nfs/dbraw/zinc/40/32/14/358403214.db2.gz JGZVSNJQXWBKQZ-NEPJUHHUSA-N 1 0 289.335 1.951 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000195115531 358411941 /nfs/dbraw/zinc/41/19/41/358411941.db2.gz RMHIMYWNLWEOQA-VIFPVBQESA-N 1 0 295.364 1.880 20 5 CDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCN(C)C ZINC000337992809 358657025 /nfs/dbraw/zinc/65/70/25/358657025.db2.gz RCJOYIKUJMRNSQ-LLVKDONJSA-N 1 0 294.355 1.463 20 5 CDBDRO CC[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCS1 ZINC000176285799 358785819 /nfs/dbraw/zinc/78/58/19/358785819.db2.gz NEDHHBZPLCVLAR-SNVBAGLBSA-N 1 0 270.358 1.619 20 5 CDBDRO COc1ccc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000186810173 358826920 /nfs/dbraw/zinc/82/69/20/358826920.db2.gz LRMUEUVTVXQMCC-KOLCDFICSA-N 1 0 293.323 1.331 20 5 CDBDRO COC[C@@H](CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000234869386 358802114 /nfs/dbraw/zinc/80/21/14/358802114.db2.gz VIFCTCCUQFWRBM-LLVKDONJSA-N 1 0 254.286 1.000 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000262446211 358828274 /nfs/dbraw/zinc/82/82/74/358828274.db2.gz ITQBWPJOLHQHON-SECBINFHSA-N 1 0 281.312 1.331 20 5 CDBDRO O=C(CC[NH2+]C1CC1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000573695980 359030241 /nfs/dbraw/zinc/03/02/41/359030241.db2.gz FBWMOUODZNJJOZ-UHFFFAOYSA-N 1 0 293.323 1.232 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435229881 359043744 /nfs/dbraw/zinc/04/37/44/359043744.db2.gz MJZVQMQBKVDDGC-AWEZNQCLSA-N 1 0 289.335 1.490 20 5 CDBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CC[C@@H]1CCOC1)CC2 ZINC000450691821 358983022 /nfs/dbraw/zinc/98/30/22/358983022.db2.gz JPYKSTRMGVZZBU-LLVKDONJSA-N 1 0 277.324 1.775 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)n1 ZINC000451697710 359070900 /nfs/dbraw/zinc/07/09/00/359070900.db2.gz RIPOPFDWQVFERS-JHJVBQTASA-N 1 0 294.355 1.274 20 5 CDBDRO CC[C@H](C)[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000451839390 359084830 /nfs/dbraw/zinc/08/48/30/359084830.db2.gz JSGOXXWCOXCFJP-LBPRGKRZSA-N 1 0 281.360 1.207 20 5 CDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000127453636 359090185 /nfs/dbraw/zinc/09/01/85/359090185.db2.gz MEYQQQWHFMOTGA-AWEZNQCLSA-N 1 0 279.340 1.627 20 5 CDBDRO Cc1cc(N2CC[C@H](N3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000314098147 359158525 /nfs/dbraw/zinc/15/85/25/359158525.db2.gz IOIUUSZVMQQZSW-AWEZNQCLSA-N 1 0 290.367 1.387 20 5 CDBDRO COC[C@@H](C)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000045696643 359167937 /nfs/dbraw/zinc/16/79/37/359167937.db2.gz RYBZCQINNBYJPG-JTQLQIEISA-N 1 0 268.313 1.976 20 5 CDBDRO CC(C)[N@@H+]1CCCC[C@@H]1Cn1cnc([N+](=O)[O-])n1 ZINC000339114884 359291724 /nfs/dbraw/zinc/29/17/24/359291724.db2.gz IABUGXYXXSWNJK-SNVBAGLBSA-N 1 0 253.306 1.449 20 5 CDBDRO COC[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])OC ZINC000569941166 359270794 /nfs/dbraw/zinc/27/07/94/359270794.db2.gz LRZYLGGNRPVWKU-GWCFXTLKSA-N 1 0 280.324 1.833 20 5 CDBDRO CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H](C)CO ZINC000339628562 359420438 /nfs/dbraw/zinc/42/04/38/359420438.db2.gz GTGDSCVKHUTMFN-SNVBAGLBSA-N 1 0 296.323 1.664 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000162180252 359478346 /nfs/dbraw/zinc/47/83/46/359478346.db2.gz LJVOULDNXRYJTJ-GHMZBOCLSA-N 1 0 277.324 1.903 20 5 CDBDRO Cc1nc(N2CCC3(CCC[N@H+]3C)CC2)ncc1[N+](=O)[O-] ZINC000571732435 359607476 /nfs/dbraw/zinc/60/74/76/359607476.db2.gz GOYICELMDVFHGW-UHFFFAOYSA-N 1 0 291.355 1.758 20 5 CDBDRO CC[N@@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000297003382 200059263 /nfs/dbraw/zinc/05/92/63/200059263.db2.gz GAJIAYDEVIPSSS-NSHDSACASA-N 1 0 279.344 1.980 20 5 CDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000111828906 359674214 /nfs/dbraw/zinc/67/42/14/359674214.db2.gz VORSTSYERQZCBT-QMMMGPOBSA-N 1 0 254.290 1.026 20 5 CDBDRO C[N@@H+](CCC(=O)OC(C)(C)C)CCn1cc([N+](=O)[O-])cn1 ZINC000150878461 359674537 /nfs/dbraw/zinc/67/45/37/359674537.db2.gz YGDWESRGLBARTL-UHFFFAOYSA-N 1 0 298.343 1.455 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000297338528 200153641 /nfs/dbraw/zinc/15/36/41/200153641.db2.gz IJXNRAAWNUGPPI-HTQZYQBOSA-N 1 0 269.326 1.608 20 5 CDBDRO COc1cc(CN2CCC[N@H+](C)CC2)c([N+](=O)[O-])cc1F ZINC000297832887 200288421 /nfs/dbraw/zinc/28/84/21/200288421.db2.gz JXFXSKMWKZNHBD-UHFFFAOYSA-N 1 0 297.330 1.880 20 5 CDBDRO C[NH2+]CCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000237074966 363706163 /nfs/dbraw/zinc/70/61/63/363706163.db2.gz WSVBBYCXRXPAGL-VIFPVBQESA-N 1 0 283.353 1.411 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C/C=C/c2ccncc2)c1 ZINC000487325775 359957732 /nfs/dbraw/zinc/95/77/32/359957732.db2.gz PFEDLWSZVOORNH-OWOJBTEDSA-N 1 0 273.296 1.489 20 5 CDBDRO CC(C)[NH+](CCN(C)C(=O)c1cc([N+](=O)[O-])n[nH]1)C(C)C ZINC000354664486 359943425 /nfs/dbraw/zinc/94/34/25/359943425.db2.gz XVQWLXLANYGURF-UHFFFAOYSA-N 1 0 297.359 1.509 20 5 CDBDRO COc1ccc(C(=O)NCC2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000169278620 360200799 /nfs/dbraw/zinc/20/07/99/360200799.db2.gz VLEPIKWXHQXNNZ-UHFFFAOYSA-N 1 0 291.307 1.253 20 5 CDBDRO Cc1nc(N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000572352695 360415840 /nfs/dbraw/zinc/41/58/40/360415840.db2.gz WITNJYRRUNPDFO-CMPLNLGQSA-N 1 0 291.355 1.756 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H]2CO)c1 ZINC000178857770 189151050 /nfs/dbraw/zinc/15/10/50/189151050.db2.gz IECOTFYYDJRBAZ-CHWSQXEVSA-N 1 0 266.297 1.085 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CCCCCC[NH3+] ZINC001579877255 1172288249 /nfs/dbraw/zinc/28/82/49/1172288249.db2.gz FPORMLOLNXPNKL-UHFFFAOYSA-N 1 0 294.355 1.889 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000519529536 361377378 /nfs/dbraw/zinc/37/73/78/361377378.db2.gz FIUVFPKTJQRLBQ-JQWIXIFHSA-N 1 0 292.339 1.474 20 5 CDBDRO C[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000278623631 239089240 /nfs/dbraw/zinc/08/92/40/239089240.db2.gz CJQWVKXCZAWWOX-COPLHBTASA-N 1 0 280.324 1.785 20 5 CDBDRO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)O ZINC000580431704 363907594 /nfs/dbraw/zinc/90/75/94/363907594.db2.gz XWSWZVUGYRBFFQ-WOPDTQHZSA-N 1 0 298.339 1.084 20 5 CDBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000581617445 364005471 /nfs/dbraw/zinc/00/54/71/364005471.db2.gz SFZVNRADUFVAAY-DTORHVGOSA-N 1 0 295.343 1.181 20 5 CDBDRO COCCn1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000266184466 370731112 /nfs/dbraw/zinc/73/11/12/370731112.db2.gz GWENRRIOMFIDRG-UHFFFAOYSA-N 1 0 290.323 1.728 20 5 CDBDRO C[C@H](Cn1cccn1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269642933 364278296 /nfs/dbraw/zinc/27/82/96/364278296.db2.gz CPSMXCGFMGRANY-BXUZGUMPSA-N 1 0 290.323 1.503 20 5 CDBDRO C[C@](C[NH3+])(NC(=O)c1ccc([N+](=O)[O-])o1)C1CC1 ZINC000148901546 364476472 /nfs/dbraw/zinc/47/64/72/364476472.db2.gz FQSOTTJRBLAVJR-LLVKDONJSA-N 1 0 253.258 1.045 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@H+](CCn2cncn2)C2CC2)cc1 ZINC000270830183 364778117 /nfs/dbraw/zinc/77/81/17/364778117.db2.gz HKSYOHGGXWKLRV-UHFFFAOYSA-N 1 0 287.323 1.851 20 5 CDBDRO CC[C@]1(C)CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075999181 366946512 /nfs/dbraw/zinc/94/65/12/366946512.db2.gz ZBRDXYAIRHOLFD-UONOGXRCSA-N 1 0 296.371 1.664 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CO)[C@@H]1C ZINC000386324504 366969362 /nfs/dbraw/zinc/96/93/62/366969362.db2.gz UOXGOCPQJPLTKL-QWRGUYRKSA-N 1 0 280.324 1.806 20 5 CDBDRO COc1ccc(CNC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414784316 241385666 /nfs/dbraw/zinc/38/56/66/241385666.db2.gz HDGZGZNORRFWQX-UHFFFAOYSA-N 1 0 265.313 1.445 20 5 CDBDRO CC[NH2+][C@H](C)CNCc1ccc([N+](=O)[O-])cc1F ZINC000414953640 241481652 /nfs/dbraw/zinc/48/16/52/241481652.db2.gz JSHMRDAWRCBVIG-SECBINFHSA-N 1 0 255.293 1.822 20 5 CDBDRO C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000417136944 242332109 /nfs/dbraw/zinc/33/21/09/242332109.db2.gz LQHLGDHXZGTONQ-MWLCHTKSSA-N 1 0 278.312 1.317 20 5 CDBDRO Cc1nn(C)c(N[C@@H](C)[C@H](C)N2CCOCC2)c1[N+](=O)[O-] ZINC000301212747 368570046 /nfs/dbraw/zinc/57/00/46/368570046.db2.gz VZSJBCNNMCXYBL-ONGXEEELSA-N 1 0 297.359 1.158 20 5 CDBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC(C)(C)C ZINC000361523382 368872102 /nfs/dbraw/zinc/87/21/02/368872102.db2.gz XOBGVANFVARKTJ-GFCCVEGCSA-N 1 0 284.360 1.520 20 5 CDBDRO Cc1nc(N[C@@H]2CCC[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000420201405 243923913 /nfs/dbraw/zinc/92/39/13/243923913.db2.gz ONUGYHJYJYQGTM-DTWKUNHWSA-N 1 0 251.290 1.233 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]([NH3+])C1CC1 ZINC000414889116 369132287 /nfs/dbraw/zinc/13/22/87/369132287.db2.gz FXMNHZNELAYELJ-CYBMUJFWSA-N 1 0 279.340 1.820 20 5 CDBDRO Cc1nc(N[C@H](C[NH3+])C2CCCC2)ncc1[N+](=O)[O-] ZINC000420287935 244029300 /nfs/dbraw/zinc/02/93/00/244029300.db2.gz XYAKBVWTSUIUFA-SNVBAGLBSA-N 1 0 265.317 1.623 20 5 CDBDRO C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000420393987 244194639 /nfs/dbraw/zinc/19/46/39/244194639.db2.gz KHDJFMUHORRPLH-NEPJUHHUSA-N 1 0 279.340 1.656 20 5 CDBDRO Cc1cnc(N(C)C[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000420637559 244303423 /nfs/dbraw/zinc/30/34/23/244303423.db2.gz OYJLVAAVVQIXKK-LLVKDONJSA-N 1 0 264.329 1.829 20 5 CDBDRO Cc1cc(N(C)C[C@@H]2CCC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC000420643899 244307192 /nfs/dbraw/zinc/30/71/92/244307192.db2.gz XSTBAFMQDIRHNK-NSHDSACASA-N 1 0 264.329 1.829 20 5 CDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@]1(CO)CCOC1 ZINC000330839763 203299586 /nfs/dbraw/zinc/29/95/86/203299586.db2.gz VWRBGUMFMWRAQV-CYBMUJFWSA-N 1 0 266.297 1.178 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000389724392 370092592 /nfs/dbraw/zinc/09/25/92/370092592.db2.gz JLRYCWBTAZBUIV-KOLCDFICSA-N 1 0 277.324 1.631 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418234297 370303067 /nfs/dbraw/zinc/30/30/67/370303067.db2.gz PWDYTXXCBSFLOZ-UWVGGRQHSA-N 1 0 280.328 1.550 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000422747748 245209274 /nfs/dbraw/zinc/20/92/74/245209274.db2.gz QTTVFQVSZKCGFV-VIFPVBQESA-N 1 0 279.296 1.085 20 5 CDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000422895189 245379376 /nfs/dbraw/zinc/37/93/76/245379376.db2.gz FJJJZTBXRFDMCO-JTQLQIEISA-N 1 0 294.355 1.622 20 5 CDBDRO NOCCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001580362119 1172412907 /nfs/dbraw/zinc/41/29/07/1172412907.db2.gz OUUFHHCVJSUKBM-UHFFFAOYSA-N 1 0 266.257 1.106 20 5 CDBDRO Cc1c([C@@H](C)[NH2+][C@@H]2COC[C@H]2O)cccc1[N+](=O)[O-] ZINC000295890254 371501707 /nfs/dbraw/zinc/50/17/07/371501707.db2.gz HUFVEODFPSNOPN-IRUJWGPZSA-N 1 0 266.297 1.314 20 5 CDBDRO C[N@@H+]1CCCC12CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])CC2 ZINC000368204906 371908343 /nfs/dbraw/zinc/90/83/43/371908343.db2.gz XBDJQGQZLULJHP-UHFFFAOYSA-N 1 0 293.327 1.018 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[NH+](C)C ZINC000298426431 373599450 /nfs/dbraw/zinc/59/94/50/373599450.db2.gz XNZSKQJUPZGTIY-SNVBAGLBSA-N 1 0 280.328 1.975 20 5 CDBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000298504277 373739696 /nfs/dbraw/zinc/73/96/96/373739696.db2.gz ZPSVIMPUKJPRQN-VIFPVBQESA-N 1 0 295.364 1.870 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000130869015 373763405 /nfs/dbraw/zinc/76/34/05/373763405.db2.gz LOMXRABRZASAIB-CQSZACIVSA-N 1 0 291.351 1.867 20 5 CDBDRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000289541354 197396244 /nfs/dbraw/zinc/39/62/44/197396244.db2.gz JTZDDXIYFWFYHC-GXTWGEPZSA-N 1 0 291.351 1.845 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[C@H]1CCC[NH2+]C1 ZINC000091559097 374035435 /nfs/dbraw/zinc/03/54/35/374035435.db2.gz GTNDGAFNDXOVPL-LLVKDONJSA-N 1 0 281.360 1.921 20 5 CDBDRO C[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000298725381 374082500 /nfs/dbraw/zinc/08/25/00/374082500.db2.gz MMYDMEZHHSLMSL-ZJUUUORDSA-N 1 0 294.359 1.499 20 5 CDBDRO Cc1c(CC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cccc1[N+](=O)[O-] ZINC000423737853 246014826 /nfs/dbraw/zinc/01/48/26/246014826.db2.gz QCYFHJBRXPJQQV-OCCSQVGLSA-N 1 0 289.335 1.266 20 5 CDBDRO CN(CC(C)(C)C[NH3+])C(=O)c1csc([N+](=O)[O-])c1 ZINC000093873564 374371134 /nfs/dbraw/zinc/37/11/34/374371134.db2.gz RHPBAQKDCDEINC-UHFFFAOYSA-N 1 0 271.342 1.713 20 5 CDBDRO C[C@H]1CC(=O)NCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000369429793 374353495 /nfs/dbraw/zinc/35/34/95/374353495.db2.gz WZSCQBSKVYXFGN-NSHDSACASA-N 1 0 277.324 1.348 20 5 CDBDRO C[C@@H]1[C@H](C)N(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000356882704 374420162 /nfs/dbraw/zinc/42/01/62/374420162.db2.gz PTENCNJWVOAYHV-NEPJUHHUSA-N 1 0 291.351 1.688 20 5 CDBDRO CC[N@H+](CCOC)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299139650 374438818 /nfs/dbraw/zinc/43/88/18/374438818.db2.gz SBSARHAFWNNYGO-CYBMUJFWSA-N 1 0 298.339 1.303 20 5 CDBDRO C[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000423940152 246238717 /nfs/dbraw/zinc/23/87/17/246238717.db2.gz BTZQGJVNFYGCSM-ZWNOBZJWSA-N 1 0 291.351 1.678 20 5 CDBDRO Nc1ccc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000376184916 374542722 /nfs/dbraw/zinc/54/27/22/374542722.db2.gz CSMXNPHGDDHVBG-RYUDHWBXSA-N 1 0 292.339 1.452 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)[C@]2(F)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000376694453 374567006 /nfs/dbraw/zinc/56/70/06/374567006.db2.gz HNANICHNXRXGGD-HZMBPMFUSA-N 1 0 295.314 1.782 20 5 CDBDRO C[C@@H]1CC[C@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000429577720 374598122 /nfs/dbraw/zinc/59/81/22/374598122.db2.gz GICFPEYMBWNJFB-NTZNESFSSA-N 1 0 282.344 1.273 20 5 CDBDRO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000351949828 374697292 /nfs/dbraw/zinc/69/72/92/374697292.db2.gz APIKWQQAZHENCO-CMPLNLGQSA-N 1 0 266.297 1.286 20 5 CDBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000070076560 374645460 /nfs/dbraw/zinc/64/54/60/374645460.db2.gz APNAORNUPINZRF-AOOOYVTPSA-N 1 0 278.312 1.809 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000070172514 374653462 /nfs/dbraw/zinc/65/34/62/374653462.db2.gz PKRYMIXDJRMEEF-MNOVXSKESA-N 1 0 277.324 1.794 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000070447223 374662667 /nfs/dbraw/zinc/66/26/67/374662667.db2.gz PDKWTWHUEXOPAM-VIFPVBQESA-N 1 0 285.731 1.961 20 5 CDBDRO COCC(COC)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449532494 374818465 /nfs/dbraw/zinc/81/84/65/374818465.db2.gz AJSJSHDCCVUSCX-FNORWQNLSA-N 1 0 280.324 1.859 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](CO)C2)cc1F ZINC000094775831 374847471 /nfs/dbraw/zinc/84/74/71/374847471.db2.gz AFADNTGVCRBRJY-JTQLQIEISA-N 1 0 254.261 1.548 20 5 CDBDRO C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000330382916 374848277 /nfs/dbraw/zinc/84/82/77/374848277.db2.gz JGOPGUFOTYLGOU-STQMWFEESA-N 1 0 293.367 1.966 20 5 CDBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000280499964 374998608 /nfs/dbraw/zinc/99/86/08/374998608.db2.gz BEGSICNMDYITMI-AWEZNQCLSA-N 1 0 295.314 1.692 20 5 CDBDRO CCCC1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000391978670 375028962 /nfs/dbraw/zinc/02/89/62/375028962.db2.gz NJXPXDGJALTPBI-ZDUSSCGKSA-N 1 0 296.371 1.712 20 5 CDBDRO COCCCNC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000299571402 375182142 /nfs/dbraw/zinc/18/21/42/375182142.db2.gz HFEQQTNCGRWKTI-LLVKDONJSA-N 1 0 295.339 1.398 20 5 CDBDRO COc1cc(N2CCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000132002757 375392999 /nfs/dbraw/zinc/39/29/99/375392999.db2.gz NTWNZDZVBZHLLN-SNVBAGLBSA-N 1 0 251.286 1.531 20 5 CDBDRO Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000049096380 375401609 /nfs/dbraw/zinc/40/16/09/375401609.db2.gz RYDJJGAOGROMDM-GFCCVEGCSA-N 1 0 277.324 1.727 20 5 CDBDRO COc1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000162361801 375334788 /nfs/dbraw/zinc/33/47/88/375334788.db2.gz VDYCPSRVGBSSCU-WDEREUQCSA-N 1 0 293.323 1.603 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCN1CCC1 ZINC000344839553 375564845 /nfs/dbraw/zinc/56/48/45/375564845.db2.gz PXVNFHLAMFJNKQ-UHFFFAOYSA-N 1 0 279.340 1.789 20 5 CDBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000162997420 375580367 /nfs/dbraw/zinc/58/03/67/375580367.db2.gz QRKVQZNXEJLHTO-JKOKRWQUSA-N 1 0 280.324 1.643 20 5 CDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H]1C ZINC000354423223 375708054 /nfs/dbraw/zinc/70/80/54/375708054.db2.gz IGLLLUCMSPBQHK-QWRGUYRKSA-N 1 0 294.355 1.868 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC1 ZINC000228959830 375816148 /nfs/dbraw/zinc/81/61/48/375816148.db2.gz FSWJWDDATIIWPS-VHSXEESVSA-N 1 0 277.324 1.913 20 5 CDBDRO C[C@]1(F)CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000347383173 376062672 /nfs/dbraw/zinc/06/26/72/376062672.db2.gz OFKAHZDIHSHNLG-JSGCOSHPSA-N 1 0 298.314 1.768 20 5 CDBDRO C[C@@H]1OCC[C@]1(O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000433186976 248003361 /nfs/dbraw/zinc/00/33/61/248003361.db2.gz MGNFWRGLEGWFIR-HKBBKRBJSA-N 1 0 292.335 1.738 20 5 CDBDRO CCC[NH+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000296661264 376683999 /nfs/dbraw/zinc/68/39/99/376683999.db2.gz YISPTFFRMVDADT-UHFFFAOYSA-N 1 0 265.317 1.225 20 5 CDBDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000188857740 377097994 /nfs/dbraw/zinc/09/79/94/377097994.db2.gz MGYJPAHNCZBRGA-PWSUYJOCSA-N 1 0 280.324 1.854 20 5 CDBDRO Cc1ccc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000189303151 377228853 /nfs/dbraw/zinc/22/88/53/377228853.db2.gz RFRQFVZFRTUKKO-PWSUYJOCSA-N 1 0 277.324 1.774 20 5 CDBDRO Cc1cc(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000266839404 377464096 /nfs/dbraw/zinc/46/40/96/377464096.db2.gz LOKLGSLAZDLRPQ-RYUDHWBXSA-N 1 0 294.355 1.190 20 5 CDBDRO CC(C)(CCO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000142119341 377789437 /nfs/dbraw/zinc/78/94/37/377789437.db2.gz NCSBZBANURRADQ-UHFFFAOYSA-N 1 0 252.314 1.888 20 5 CDBDRO CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)NC ZINC000056508223 378510332 /nfs/dbraw/zinc/51/03/32/378510332.db2.gz IJDMWQDUISQBRT-UHFFFAOYSA-N 1 0 295.339 1.432 20 5 CDBDRO CCOCC[C@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000444642262 250157798 /nfs/dbraw/zinc/15/77/98/250157798.db2.gz STZAGFOPTOHBGE-HNNXBMFYSA-N 1 0 294.351 1.740 20 5 CDBDRO CCC[N@H+](CC)CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000174648144 379548044 /nfs/dbraw/zinc/54/80/44/379548044.db2.gz PRNHOCOUXOHYMG-UHFFFAOYSA-N 1 0 297.359 1.098 20 5 CDBDRO C[C@H](O)CC[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000174792568 379578792 /nfs/dbraw/zinc/57/87/92/379578792.db2.gz OIPHJRQRNDDVMZ-AAEUAGOBSA-N 1 0 298.339 1.037 20 5 CDBDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000449463662 250869739 /nfs/dbraw/zinc/86/97/39/250869739.db2.gz XEGMXUJUEZSIFT-JSGCOSHPSA-N 1 0 280.324 1.736 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000449642741 250947398 /nfs/dbraw/zinc/94/73/98/250947398.db2.gz XUDICOPVBKZXTR-QWHCGFSZSA-N 1 0 291.351 1.771 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000449642239 250947797 /nfs/dbraw/zinc/94/77/97/250947797.db2.gz FYBFXFZXQWEACP-RKDXNWHRSA-N 1 0 266.301 1.170 20 5 CDBDRO CCC[C@@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450557890 251338889 /nfs/dbraw/zinc/33/88/89/251338889.db2.gz BZAICDLEPHMVPN-DGCLKSJQSA-N 1 0 294.355 1.637 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000149449543 285092654 /nfs/dbraw/zinc/09/26/54/285092654.db2.gz PFIDWKKVWPJPHY-OCAPTIKFSA-N 1 0 268.704 1.299 20 5 CDBDRO C[C@@H](NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000493141649 253381009 /nfs/dbraw/zinc/38/10/09/253381009.db2.gz RWDFKIMDPKDRSK-VGEAGSPOSA-N 1 0 281.287 1.599 20 5 CDBDRO Cc1nc(N[C@@H](CO)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000289172595 197252446 /nfs/dbraw/zinc/25/24/46/197252446.db2.gz RBRSLIMYYRFDFH-GFCCVEGCSA-N 1 0 294.355 1.557 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000168941756 292867052 /nfs/dbraw/zinc/86/70/52/292867052.db2.gz OTJNMVHAHNYUDL-QMMMGPOBSA-N 1 0 291.311 1.193 20 5 CDBDRO O=C1N[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2CO1 ZINC000281371226 195213851 /nfs/dbraw/zinc/21/38/51/195213851.db2.gz VPXOKKZJKQZIIY-YPMHNXCESA-N 1 0 291.307 1.525 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+]([C@@H]3COC[C@H]3O)C2)cc1 ZINC000451543203 390631409 /nfs/dbraw/zinc/63/14/09/390631409.db2.gz BHJHYQNKTYGGAU-NWANDNLSSA-N 1 0 292.335 1.534 20 5 CDBDRO CC(C)[C@@H](CO)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000451604421 390635055 /nfs/dbraw/zinc/63/50/55/390635055.db2.gz YVBHZKORWGESLY-TZMCWYRMSA-N 1 0 298.387 1.670 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000451630161 390636132 /nfs/dbraw/zinc/63/61/32/390636132.db2.gz LMIYYGYQRVMTRL-YGRLFVJLSA-N 1 0 279.315 1.870 20 5 CDBDRO CCc1nn(C)c(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000158477759 390799538 /nfs/dbraw/zinc/79/95/38/390799538.db2.gz IKZDDDVTHUIHPB-NXEZZACHSA-N 1 0 281.360 1.785 20 5 CDBDRO CNC(=O)CC[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000172020568 390923801 /nfs/dbraw/zinc/92/38/01/390923801.db2.gz KPDUQAOIMMJRMJ-UHFFFAOYSA-N 1 0 285.731 1.816 20 5 CDBDRO COc1cccc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c1[N+](=O)[O-] ZINC000517234588 390968702 /nfs/dbraw/zinc/96/87/02/390968702.db2.gz LLJGDWNQAXDMAH-ONGXEEELSA-N 1 0 293.323 1.413 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000411999293 390968887 /nfs/dbraw/zinc/96/88/87/390968887.db2.gz XJRHDGNGDSZMCK-GWCFXTLKSA-N 1 0 298.314 1.611 20 5 CDBDRO C[NH+]1CCC(N(CCO)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000303986213 391085197 /nfs/dbraw/zinc/08/51/97/391085197.db2.gz IPZGWNUODRQVSK-UHFFFAOYSA-N 1 0 293.367 1.483 20 5 CDBDRO [NH3+]CC[C@H](NCc1csc([N+](=O)[O-])c1)C(F)F ZINC000414988559 391230616 /nfs/dbraw/zinc/23/06/16/391230616.db2.gz LBIXXJGVRZUYEV-ZETCQYMHSA-N 1 0 265.285 1.728 20 5 CDBDRO CCN(CCC[NH+](C)C)c1ncc([N+](=O)[O-])cn1 ZINC000344791193 391192433 /nfs/dbraw/zinc/19/24/33/391192433.db2.gz JSBQVGXHAVICHN-UHFFFAOYSA-N 1 0 253.306 1.163 20 5 CDBDRO C[NH2+]CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237115063 391209919 /nfs/dbraw/zinc/20/99/19/391209919.db2.gz MLMVUXWYFJHNHW-UHFFFAOYSA-N 1 0 292.339 1.144 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000413432003 391214190 /nfs/dbraw/zinc/21/41/90/391214190.db2.gz BQUHKWLTTOLRBB-LBPRGKRZSA-N 1 0 278.356 1.864 20 5 CDBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1N)C1(C[NH3+])CCC1 ZINC000449676323 391267593 /nfs/dbraw/zinc/26/75/93/391267593.db2.gz GJWQKSMLTRFVOG-UHFFFAOYSA-N 1 0 278.312 1.130 20 5 CDBDRO Cc1cc(NC(=O)NC[C@@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC000415416939 391408204 /nfs/dbraw/zinc/40/82/04/391408204.db2.gz LSALZMWHUVGXCF-NSHDSACASA-N 1 0 294.311 1.013 20 5 CDBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415379062 391377327 /nfs/dbraw/zinc/37/73/27/391377327.db2.gz DRORBSUHUMMNQL-SNVBAGLBSA-N 1 0 295.343 1.249 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000415432603 391431664 /nfs/dbraw/zinc/43/16/64/391431664.db2.gz GAEISZITORCNDJ-QMMMGPOBSA-N 1 0 282.300 1.462 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000415505514 391468539 /nfs/dbraw/zinc/46/85/39/391468539.db2.gz QLBVRWCXDBPKTJ-VIFPVBQESA-N 1 0 264.285 1.387 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415629709 391469778 /nfs/dbraw/zinc/46/97/78/391469778.db2.gz IOPMGCJMEUVFAL-UHFFFAOYSA-N 1 0 270.264 1.593 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415636077 391470247 /nfs/dbraw/zinc/47/02/47/391470247.db2.gz WMAQFRAYKAAVRJ-JTQLQIEISA-N 1 0 296.302 1.950 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000415759528 391471407 /nfs/dbraw/zinc/47/14/07/391471407.db2.gz IWYWGUHFKIEFDW-SNVBAGLBSA-N 1 0 292.339 1.983 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C[NH2+]1 ZINC000086467346 391665930 /nfs/dbraw/zinc/66/59/30/391665930.db2.gz GNWJOFFDEWVEEU-NXEZZACHSA-N 1 0 263.297 1.417 20 5 CDBDRO Cc1cc(N2CC[N@@H+](C)CC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000348174230 391802004 /nfs/dbraw/zinc/80/20/04/391802004.db2.gz BLURBRJURIHHLS-NSHDSACASA-N 1 0 264.329 1.829 20 5 CDBDRO C[C@@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000228604988 391929791 /nfs/dbraw/zinc/92/97/91/391929791.db2.gz LWQOHZNCWOVWHT-UTLUCORTSA-N 1 0 265.313 1.755 20 5 CDBDRO CC(C)(NC(=O)[C@@H]1[NH2+]CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000591675085 391981155 /nfs/dbraw/zinc/98/11/55/391981155.db2.gz QZFXJQBUTIKENO-LBPRGKRZSA-N 1 0 291.351 1.944 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000193949819 392098003 /nfs/dbraw/zinc/09/80/03/392098003.db2.gz HZELKBPYWAKXQR-CQSZACIVSA-N 1 0 279.340 1.854 20 5 CDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[NH2+]CC1 ZINC000237057915 131001355 /nfs/dbraw/zinc/00/13/55/131001355.db2.gz MFPYHSVXYAYLRA-UHFFFAOYSA-N 1 0 292.339 1.096 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261625368 131157601 /nfs/dbraw/zinc/15/76/01/131157601.db2.gz ARLZKZGBKSFEQQ-RYUDHWBXSA-N 1 0 275.308 1.276 20 5 CDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261795610 131169543 /nfs/dbraw/zinc/16/95/43/131169543.db2.gz YGZBAQXHEVLJJH-BXKDBHETSA-N 1 0 293.298 1.558 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000262350432 131213999 /nfs/dbraw/zinc/21/39/99/131213999.db2.gz JADBYEHEBIGLMD-JTQLQIEISA-N 1 0 292.339 1.378 20 5 CDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000262619195 131242521 /nfs/dbraw/zinc/24/25/21/131242521.db2.gz ILWPAXBJXNESCD-ZDUSSCGKSA-N 1 0 280.328 1.280 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000262804497 131262866 /nfs/dbraw/zinc/26/28/66/131262866.db2.gz OEOMEXBSXBIFNP-GXSJLCMTSA-N 1 0 292.339 1.213 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000262849315 131267865 /nfs/dbraw/zinc/26/78/65/131267865.db2.gz ZECQFTMSRZWJDW-DTWKUNHWSA-N 1 0 281.287 1.556 20 5 CDBDRO CC[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459767446 392503498 /nfs/dbraw/zinc/50/34/98/392503498.db2.gz FOLSCSRVBPHHPF-YPMHNXCESA-N 1 0 293.323 1.690 20 5 CDBDRO NC(=O)c1cc(N[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596091937 392621306 /nfs/dbraw/zinc/62/13/06/392621306.db2.gz QCERHSJPMQSJAW-JTQLQIEISA-N 1 0 290.323 1.342 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000420239983 392911668 /nfs/dbraw/zinc/91/16/68/392911668.db2.gz PSVLBVCVIUMQNR-BDAKNGLRSA-N 1 0 294.311 1.458 20 5 CDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC(=O)N(C)C1 ZINC000268861680 132078586 /nfs/dbraw/zinc/07/85/86/132078586.db2.gz ROEOEPYOQOUEBH-AAEUAGOBSA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCCO[C@H](C[NH3+])C1 ZINC000313344056 392944810 /nfs/dbraw/zinc/94/48/10/392944810.db2.gz DSKYVRJEMCFFFW-VXGBXAGGSA-N 1 0 279.340 1.705 20 5 CDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000269177014 132125059 /nfs/dbraw/zinc/12/50/59/132125059.db2.gz ISQZXKIEJCULGQ-JQWIXIFHSA-N 1 0 292.339 1.479 20 5 CDBDRO C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000269214378 132133594 /nfs/dbraw/zinc/13/35/94/132133594.db2.gz OYCLSGHKPTXLGO-ZWNOBZJWSA-N 1 0 293.323 1.169 20 5 CDBDRO COCC[NH2+]CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423311269 392960684 /nfs/dbraw/zinc/96/06/84/392960684.db2.gz BPUJVLUWZDPXQI-NSHDSACASA-N 1 0 267.329 1.481 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000194855822 392972986 /nfs/dbraw/zinc/97/29/86/392972986.db2.gz HUKKCBDBXWMMFC-IUCAKERBSA-N 1 0 283.353 1.539 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000423624823 392965249 /nfs/dbraw/zinc/96/52/49/392965249.db2.gz DQZLCUXFECHFSE-SECBINFHSA-N 1 0 265.313 1.170 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000430210181 393092438 /nfs/dbraw/zinc/09/24/38/393092438.db2.gz CPXBIYRSINNROB-MFKMUULPSA-N 1 0 280.324 1.806 20 5 CDBDRO [NH3+]C[C@H]1CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000430587336 393100411 /nfs/dbraw/zinc/10/04/11/393100411.db2.gz VPYOQBXEJGGTLK-GFCCVEGCSA-N 1 0 265.313 1.397 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H](C)C[NH3+] ZINC000430969448 393107004 /nfs/dbraw/zinc/10/70/04/393107004.db2.gz CYVQLLYISXFTSW-LLVKDONJSA-N 1 0 294.355 1.511 20 5 CDBDRO CCn1nnc(C)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000449130886 393129740 /nfs/dbraw/zinc/12/97/40/393129740.db2.gz IOQOTCUGXFKONO-UHFFFAOYSA-N 1 0 289.339 1.847 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCCNC1=O ZINC000449073903 393130003 /nfs/dbraw/zinc/13/00/03/393130003.db2.gz JOJCDANUILZEQH-DGCLKSJQSA-N 1 0 291.351 1.784 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000449638800 393135551 /nfs/dbraw/zinc/13/55/51/393135551.db2.gz MBUMUGDNXAIALW-KOLCDFICSA-N 1 0 295.314 1.981 20 5 CDBDRO C[NH+](C)C1(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000493817043 393222114 /nfs/dbraw/zinc/22/21/14/393222114.db2.gz HKAIRYKYSNNOPC-YVMONPNESA-N 1 0 289.335 1.818 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493588509 393215555 /nfs/dbraw/zinc/21/55/55/393215555.db2.gz MCLVELRTEUJJNJ-MORRKMRCSA-N 1 0 279.271 1.307 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000235341038 140235041 /nfs/dbraw/zinc/23/50/41/140235041.db2.gz KUJLYBHMGHUNOJ-MWLCHTKSSA-N 1 0 263.297 1.322 20 5 CDBDRO [NH3+]C[C@@H](Nc1ccc([N+](=O)[O-])nc1)C1CCCC1 ZINC000236162819 140238865 /nfs/dbraw/zinc/23/88/65/140238865.db2.gz IXBCQHLXPFXHIH-LLVKDONJSA-N 1 0 250.302 1.919 20 5 CDBDRO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000253187756 140330745 /nfs/dbraw/zinc/33/07/45/140330745.db2.gz CWPIQSCKCZWOPY-ZWNOBZJWSA-N 1 0 280.324 1.806 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261599418 140361649 /nfs/dbraw/zinc/36/16/49/140361649.db2.gz PPFLJGOIBGPVEB-KWQFWETISA-N 1 0 264.285 1.548 20 5 CDBDRO COc1cc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000261779092 140388700 /nfs/dbraw/zinc/38/87/00/140388700.db2.gz WUDYBSRCBDMLKJ-ZJUUUORDSA-N 1 0 295.314 1.788 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000261799114 140389972 /nfs/dbraw/zinc/38/99/72/140389972.db2.gz YNYLRVLOOKIGBX-HNNXBMFYSA-N 1 0 291.351 1.789 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261879352 140402424 /nfs/dbraw/zinc/40/24/24/140402424.db2.gz TWHFGFNYIHLCRG-UHFFFAOYSA-N 1 0 278.312 1.139 20 5 CDBDRO O=[N+]([O-])c1cccc(CN2C[C@H]3CCC[NH2+][C@H]3C2)c1 ZINC000299921953 140503755 /nfs/dbraw/zinc/50/37/55/140503755.db2.gz RFWPXWRGQDVVNH-OCCSQVGLSA-N 1 0 261.325 1.779 20 5 CDBDRO C[C@@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000311662394 140555882 /nfs/dbraw/zinc/55/58/82/140555882.db2.gz GORUHNFOZMKFHD-SNVBAGLBSA-N 1 0 267.304 1.870 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NCC1(C)CC[NH2+]CC1 ZINC000129474107 147628112 /nfs/dbraw/zinc/62/81/12/147628112.db2.gz GEKQBMWDXFUABN-UHFFFAOYSA-N 1 0 253.306 1.130 20 5 CDBDRO CC(C)[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H](C)[NH3+] ZINC000423225119 397602845 /nfs/dbraw/zinc/60/28/45/397602845.db2.gz LHLUJHLVIXZJJW-RISCZKNCSA-N 1 0 293.367 1.873 20 5 CDBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1c([N+](=O)[O-])ncn1C ZINC000375738494 286126932 /nfs/dbraw/zinc/12/69/32/286126932.db2.gz OSBQYYHFWHFYJP-CXWACVEQSA-N 1 0 292.339 1.184 20 5 CDBDRO Cn1c(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000352596654 155293312 /nfs/dbraw/zinc/29/33/12/155293312.db2.gz CBNPWURDMWNSIU-JQWIXIFHSA-N 1 0 292.339 1.100 20 5 CDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC1C[NH2+]C1 ZINC000342847651 151939564 /nfs/dbraw/zinc/93/95/64/151939564.db2.gz AVEUCGOBDWLNSU-UHFFFAOYSA-N 1 0 292.339 1.123 20 5 CDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CC(N)=O ZINC000343124214 152041732 /nfs/dbraw/zinc/04/17/32/152041732.db2.gz ZDRKDGSYUHLYQE-GHMZBOCLSA-N 1 0 279.340 1.769 20 5 CDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@H]1O ZINC000352668282 155341384 /nfs/dbraw/zinc/34/13/84/155341384.db2.gz QSPVNNXZDLJYDG-QWHCGFSZSA-N 1 0 250.298 1.940 20 5 CDBDRO COC(=O)c1cnc(N[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000343812339 152312241 /nfs/dbraw/zinc/31/22/41/152312241.db2.gz VWSUHJFZDGWBNX-MRVPVSSYSA-N 1 0 282.300 1.138 20 5 CDBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCC[C@H]1O ZINC000352697334 155372698 /nfs/dbraw/zinc/37/26/98/155372698.db2.gz KYLULUTZOZMWOK-QWHCGFSZSA-N 1 0 290.323 1.816 20 5 CDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCOC1 ZINC000348263740 153838433 /nfs/dbraw/zinc/83/84/33/153838433.db2.gz UWTDZHSOGFTHBY-RYUDHWBXSA-N 1 0 295.339 1.161 20 5 CDBDRO [NH3+]CCN(CC[C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000348924197 154007538 /nfs/dbraw/zinc/00/75/38/154007538.db2.gz VPWPQCJQKPBDMX-GFCCVEGCSA-N 1 0 279.340 1.787 20 5 CDBDRO CC[N@H+](C[C@@H](C)O)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000352213263 155027790 /nfs/dbraw/zinc/02/77/90/155027790.db2.gz UCTLAUVVMFZUNQ-VXGBXAGGSA-N 1 0 298.339 1.037 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)c(F)c1 ZINC000353723785 156040188 /nfs/dbraw/zinc/04/01/88/156040188.db2.gz URMRLQHYABXRRF-NEPJUHHUSA-N 1 0 284.287 1.363 20 5 CDBDRO CCCC[C@@H]([NH3+])C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354074489 156255566 /nfs/dbraw/zinc/25/55/66/156255566.db2.gz VEVOKBHYYQNBPG-SNVBAGLBSA-N 1 0 291.311 1.349 20 5 CDBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1ccc([N+](=O)[O-])[nH]1 ZINC000356399621 157468778 /nfs/dbraw/zinc/46/87/78/157468778.db2.gz YLHZYNNOZCKJHT-UHFFFAOYSA-N 1 0 298.262 1.178 20 5 CDBDRO Nc1c(C(=O)N[C@@H]2CC23CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000368217048 159608507 /nfs/dbraw/zinc/60/85/07/159608507.db2.gz SORWSOORFCQITE-LLVKDONJSA-N 1 0 290.323 1.049 20 5 CDBDRO Cn1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cn1 ZINC000373234993 160184159 /nfs/dbraw/zinc/18/41/59/160184159.db2.gz XXKBVJBBDZTAQO-UHFFFAOYSA-N 1 0 290.327 1.362 20 5 CDBDRO CC(C)OC[C@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285300640 196245629 /nfs/dbraw/zinc/24/56/29/196245629.db2.gz LDENPWLUBFDKOZ-CQSZACIVSA-N 1 0 296.367 1.855 20 5 CDBDRO COc1ccc(C(=O)N2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000044528672 175193744 /nfs/dbraw/zinc/19/37/44/175193744.db2.gz VKAHROPHTAKPIY-SNVBAGLBSA-N 1 0 293.323 1.414 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000044725687 175238108 /nfs/dbraw/zinc/23/81/08/175238108.db2.gz ZSTOYYYXXQMHBT-JTQLQIEISA-N 1 0 293.298 1.700 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000071310177 176117317 /nfs/dbraw/zinc/11/73/17/176117317.db2.gz SFRLOJRTMRLDSF-JTQLQIEISA-N 1 0 263.297 1.337 20 5 CDBDRO CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000071312638 176119189 /nfs/dbraw/zinc/11/91/89/176119189.db2.gz DRHRTGKOWLPDHS-CYBMUJFWSA-N 1 0 277.324 1.348 20 5 CDBDRO CCCN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CC[NH2+]C1 ZINC000071315478 176121669 /nfs/dbraw/zinc/12/16/69/176121669.db2.gz YLVDUZGBILJQFA-SNVBAGLBSA-N 1 0 280.328 1.147 20 5 CDBDRO O=C(NCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])s1 ZINC000078632774 177362124 /nfs/dbraw/zinc/36/21/24/177362124.db2.gz SAVAMXBZMKWRGQ-UHFFFAOYSA-N 1 0 269.326 1.482 20 5 CDBDRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000078640028 177364201 /nfs/dbraw/zinc/36/42/01/177364201.db2.gz FFSKGHPXSORJHA-VIFPVBQESA-N 1 0 272.326 1.118 20 5 CDBDRO C[N@H+](CCN1CCOCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000078641323 177364359 /nfs/dbraw/zinc/36/43/59/177364359.db2.gz ZDXYDWAQNLUZBC-UHFFFAOYSA-N 1 0 279.340 1.359 20 5 CDBDRO [NH3+]CCCCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417945663 227487904 /nfs/dbraw/zinc/48/79/04/227487904.db2.gz QRAINNYXBZLPPK-UHFFFAOYSA-N 1 0 280.328 1.175 20 5 CDBDRO CON1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000323054703 260125184 /nfs/dbraw/zinc/12/51/84/260125184.db2.gz IRFMDGHDCDGVRI-UHFFFAOYSA-N 1 0 265.313 1.710 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087357050 260132177 /nfs/dbraw/zinc/13/21/77/260132177.db2.gz UZRNNVDFDJBUIF-UHFFFAOYSA-N 1 0 293.367 1.984 20 5 CDBDRO C[C@H](CCC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000336809649 274475397 /nfs/dbraw/zinc/47/53/97/274475397.db2.gz FYDKIUYXNTWUNQ-SECBINFHSA-N 1 0 287.341 1.001 20 5 CDBDRO CNC(=O)[C@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000103469763 270235038 /nfs/dbraw/zinc/23/50/38/270235038.db2.gz OIKQSGUSMOOOSK-GFCCVEGCSA-N 1 0 281.287 1.444 20 5 CDBDRO CC[C@H]([NH2+]CCN1CCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000289912307 270318634 /nfs/dbraw/zinc/31/86/34/270318634.db2.gz NLXODOKBCAEFEZ-ZDUSSCGKSA-N 1 0 292.339 1.661 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000293065608 273800852 /nfs/dbraw/zinc/80/08/52/273800852.db2.gz MNMGWYAPFJPSBT-LLVKDONJSA-N 1 0 290.367 1.951 20 5 CDBDRO C[NH2+]CCN(C)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000029337154 273961781 /nfs/dbraw/zinc/96/17/81/273961781.db2.gz IKJNHQAZMRXNES-UHFFFAOYSA-N 1 0 260.297 1.799 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H](C)C[NH3+] ZINC000420248013 274000644 /nfs/dbraw/zinc/00/06/44/274000644.db2.gz PKIRFTYRURISKD-QMMMGPOBSA-N 1 0 267.285 1.449 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)CC(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000161371483 274254416 /nfs/dbraw/zinc/25/44/16/274254416.db2.gz DLADFMAVXLFJQM-DTWKUNHWSA-N 1 0 251.286 1.509 20 5 CDBDRO Cc1c(C(=O)N[C@H](C)C[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000274386654 274660100 /nfs/dbraw/zinc/66/01/00/274660100.db2.gz CFWHHCXRQKUKID-ZCFIWIBFSA-N 1 0 296.283 1.197 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[NH3+] ZINC000423596952 276382105 /nfs/dbraw/zinc/38/21/05/276382105.db2.gz SWAFQNXQAHFBMB-QMMMGPOBSA-N 1 0 267.285 1.071 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000109806342 276869995 /nfs/dbraw/zinc/86/99/95/276869995.db2.gz XRJLJMPYCRAMSQ-ZDUSSCGKSA-N 1 0 293.367 2.000 20 5 CDBDRO CC(=O)NCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178642464 277032119 /nfs/dbraw/zinc/03/21/19/277032119.db2.gz HEXRSLGGXNMLAM-SNVBAGLBSA-N 1 0 265.313 1.772 20 5 CDBDRO COc1ccc(C(=O)NCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000166738879 277876524 /nfs/dbraw/zinc/87/65/24/277876524.db2.gz VCRGRFPJUOWCAX-LLVKDONJSA-N 1 0 293.323 1.475 20 5 CDBDRO C[C@H](CNc1ccc(N)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000286037145 278211260 /nfs/dbraw/zinc/21/12/60/278211260.db2.gz BIUWCHLJXHJEJD-LLVKDONJSA-N 1 0 294.355 1.557 20 5 CDBDRO Cc1ccnc(N2CC[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC000212819366 278985440 /nfs/dbraw/zinc/98/54/40/278985440.db2.gz OHRMEUGBKXMELI-UHFFFAOYSA-N 1 0 250.302 1.486 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000219800079 280091651 /nfs/dbraw/zinc/09/16/51/280091651.db2.gz WGSWJOXCIDCTKV-GXTWGEPZSA-N 1 0 261.325 1.779 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000227038309 280103023 /nfs/dbraw/zinc/10/30/23/280103023.db2.gz VVMORRZKOLWKAR-PKJDGDQJSA-N 1 0 289.335 1.817 20 5 CDBDRO C[NH2+]C1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000237087430 280156773 /nfs/dbraw/zinc/15/67/73/280156773.db2.gz MHPVAMNDRPQXIC-AATRIKPKSA-N 1 0 289.335 1.818 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261573995 280360268 /nfs/dbraw/zinc/36/02/68/280360268.db2.gz AXVRLTQUTLNDPL-MWLCHTKSSA-N 1 0 265.288 1.922 20 5 CDBDRO C[C@@H]1CN(c2ccc(N)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000292786620 288261096 /nfs/dbraw/zinc/26/10/96/288261096.db2.gz MDXOJONFQJOMCI-AOOOYVTPSA-N 1 0 264.329 1.706 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CCO[C@@H](C[NH3+])C2)c1 ZINC000165791383 281012909 /nfs/dbraw/zinc/01/29/09/281012909.db2.gz UAOXWJPPAGRFTN-JTQLQIEISA-N 1 0 251.286 1.067 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@H](C)C[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000520815202 281055928 /nfs/dbraw/zinc/05/59/28/281055928.db2.gz BFTCFEAQEGJFPY-HTQZYQBOSA-N 1 0 283.332 1.126 20 5 CDBDRO NC(=O)[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255863817 289387693 /nfs/dbraw/zinc/38/76/93/289387693.db2.gz ZJUAJZMGLHMWRK-FHMRSRPSSA-N 1 0 275.308 1.415 20 5 CDBDRO Cc1ccnc(N2CC[C@H]([NH3+])[C@@H](C)C2)c1[N+](=O)[O-] ZINC000227077380 292778541 /nfs/dbraw/zinc/77/85/41/292778541.db2.gz PCRGICDLYHDEME-UWVGGRQHSA-N 1 0 250.302 1.472 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@]1(C)CO ZINC000562374444 293146439 /nfs/dbraw/zinc/14/64/39/293146439.db2.gz QFEMGJNUEJGIPO-AWEZNQCLSA-N 1 0 280.324 1.950 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000568371855 294022138 /nfs/dbraw/zinc/02/21/38/294022138.db2.gz FSLFUXSZEBQNIL-LLVKDONJSA-N 1 0 278.312 1.228 20 5 CDBDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568768121 294099385 /nfs/dbraw/zinc/09/93/85/294099385.db2.gz GWHNWTUVLSXPGX-UMVBOHGHSA-N 1 0 292.335 1.976 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](C[NH3+])C2)n1 ZINC000572348419 294603649 /nfs/dbraw/zinc/60/36/49/294603649.db2.gz HSDKONPWNWKCHU-LLVKDONJSA-N 1 0 264.329 1.782 20 5 CDBDRO CNC(=O)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000574486586 295007120 /nfs/dbraw/zinc/00/71/20/295007120.db2.gz KDLYNGCWFKJWRI-UXBLZVDNSA-N 1 0 263.297 1.334 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000577620785 317368823 /nfs/dbraw/zinc/36/88/23/317368823.db2.gz QZKONNVUTGJEAE-CHWSQXEVSA-N 1 0 265.313 1.443 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1N1CC[C@H]3[NH2+]CC[C@@H]3C1)CCN2 ZINC000579817529 324288597 /nfs/dbraw/zinc/28/85/97/324288597.db2.gz OWRSUEUKPADNFR-ZYHUDNBSSA-N 1 0 288.351 1.751 20 5 CDBDRO CCOCC[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000580828805 324571068 /nfs/dbraw/zinc/57/10/68/324571068.db2.gz MABVRQIIEJXOMC-CYBMUJFWSA-N 1 0 268.313 1.472 20 5 CDBDRO CNC(=O)CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581083396 324648583 /nfs/dbraw/zinc/64/85/83/324648583.db2.gz YBSINSSSKUFXBA-LBPRGKRZSA-N 1 0 277.324 1.698 20 5 CDBDRO Cc1nn(C)c(NCC23CCC[NH+]2CCC3)c1[N+](=O)[O-] ZINC000581422789 324738819 /nfs/dbraw/zinc/73/88/19/324738819.db2.gz JUCFFGAROKPMPI-UHFFFAOYSA-N 1 0 279.344 1.677 20 5 CDBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H](C)C1 ZINC000582988579 325084382 /nfs/dbraw/zinc/08/43/82/325084382.db2.gz ILKSXCIJRVGLOB-PHIMTYICSA-N 1 0 294.355 1.488 20 5 CDBDRO CC(C)NC(=O)NCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000584110808 326997230 /nfs/dbraw/zinc/99/72/30/326997230.db2.gz TYBKPGGSLSRFES-NSHDSACASA-N 1 0 294.355 1.953 20 5 CDBDRO CCC[NH+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183595012 519856098 /nfs/dbraw/zinc/85/60/98/519856098.db2.gz FOZCRRWASLVTRB-UHFFFAOYSA-N 1 0 293.327 1.549 20 5 CDBDRO CC1(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000183379324 520727672 /nfs/dbraw/zinc/72/76/72/520727672.db2.gz WGZSMKUBHLODHU-UHFFFAOYSA-N 1 0 292.339 1.297 20 5 CDBDRO CCOc1ccc(C(=O)N2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000236900213 520895222 /nfs/dbraw/zinc/89/52/22/520895222.db2.gz SNECCKZARUXTEL-UHFFFAOYSA-N 1 0 293.323 1.429 20 5 CDBDRO COCC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000338390590 521856101 /nfs/dbraw/zinc/85/61/01/521856101.db2.gz VNEQSBWPHNXVDD-GFCCVEGCSA-N 1 0 284.360 1.832 20 5 CDBDRO COCCC[N@H+](C)CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000078668747 523228594 /nfs/dbraw/zinc/22/85/94/523228594.db2.gz KWOSDHIVFBUCIO-UHFFFAOYSA-N 1 0 282.344 1.678 20 5 CDBDRO COCCN(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000061375987 523608638 /nfs/dbraw/zinc/60/86/38/523608638.db2.gz MLHBCXDRWAVXFY-UHFFFAOYSA-N 1 0 267.329 1.263 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000235715267 524912869 /nfs/dbraw/zinc/91/28/69/524912869.db2.gz ZYAQNBIAMXGDPA-GXSJLCMTSA-N 1 0 278.312 1.857 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000261820434 536399279 /nfs/dbraw/zinc/39/92/79/536399279.db2.gz UHIDUMKZIHVHBQ-ZJUUUORDSA-N 1 0 297.380 1.800 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)C(F)(F)F)cc1 ZINC000068879467 527347240 /nfs/dbraw/zinc/34/72/40/527347240.db2.gz SUBSBSRSGLMFAK-SNVBAGLBSA-N 1 0 278.230 1.650 20 5 CDBDRO CC[NH+](CC)CCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000439116446 535542244 /nfs/dbraw/zinc/54/22/44/535542244.db2.gz GIDAFNFAFXHBEF-UHFFFAOYSA-N 1 0 280.328 1.447 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000415429983 536371980 /nfs/dbraw/zinc/37/19/80/536371980.db2.gz BSPOZTFDKAKNGG-SNVBAGLBSA-N 1 0 294.311 1.429 20 5 CDBDRO COCCO[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000189673535 536584589 /nfs/dbraw/zinc/58/45/89/536584589.db2.gz QWGGDAYAOVMCQC-ZDUSSCGKSA-N 1 0 280.324 1.832 20 5 CDBDRO COc1cc(C(=O)N2CC[NH2+][C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000422839028 536888468 /nfs/dbraw/zinc/88/84/68/536888468.db2.gz PMLKGSQFIRSDBA-VIFPVBQESA-N 1 0 293.323 1.346 20 5 CDBDRO CC[C@H]([NH3+])c1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000313699244 545541720 /nfs/dbraw/zinc/54/17/20/545541720.db2.gz SCFCBDSOOGBTHD-NSHDSACASA-N 1 0 279.275 1.784 20 5 CDBDRO C[NH+]1CCC(ONC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000773531772 575820135 /nfs/dbraw/zinc/82/01/35/575820135.db2.gz FZPATKNTKHXGIZ-UHFFFAOYSA-N 1 0 285.325 1.412 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC000773990269 575847173 /nfs/dbraw/zinc/84/71/73/575847173.db2.gz ALNZEALGZCMAAS-LBPRGKRZSA-N 1 0 289.335 1.744 20 5 CDBDRO CN(c1nc2ccccn2c1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000741750458 576570602 /nfs/dbraw/zinc/57/06/02/576570602.db2.gz VNPDLIFINYQJLZ-NSHDSACASA-N 1 0 289.339 1.773 20 5 CDBDRO C[C@@H]1CCC[N@@H+]1CCNc1ncccc1[N+](=O)[O-] ZINC000742426728 576602532 /nfs/dbraw/zinc/60/25/32/576602532.db2.gz BKMBSDDHHHVATE-SNVBAGLBSA-N 1 0 250.302 1.886 20 5 CDBDRO C[NH+](C)C1(C(=O)NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000763032480 576702169 /nfs/dbraw/zinc/70/21/69/576702169.db2.gz YRIKHCWVEKMQNT-UHFFFAOYSA-N 1 0 277.324 1.695 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](CO)C1CC1 ZINC000763062863 576706669 /nfs/dbraw/zinc/70/66/69/576706669.db2.gz BNZYONYMADXWDN-NSHDSACASA-N 1 0 266.297 1.334 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC2C[NH+](C)C2)c1C ZINC000892872566 617848968 /nfs/dbraw/zinc/84/89/68/617848968.db2.gz ZAALWUZSJPDDSZ-UHFFFAOYSA-N 1 0 291.351 1.845 20 5 CDBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C(=O)NC ZINC000829319216 617860933 /nfs/dbraw/zinc/86/09/33/617860933.db2.gz CYECYWNRQRPKTL-NSHDSACASA-N 1 0 265.313 1.517 20 5 CDBDRO COc1c(O)ccc(C[N@H+](C)C[C@@H](O)C2CC2)c1[N+](=O)[O-] ZINC000894470817 618906015 /nfs/dbraw/zinc/90/60/15/618906015.db2.gz IPRGHBISOPZVQI-GFCCVEGCSA-N 1 0 296.323 1.512 20 5 CDBDRO CC[C@@H](C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])OC ZINC000894554472 618961603 /nfs/dbraw/zinc/96/16/03/618961603.db2.gz DRBYFNQLXAQWIH-JTQLQIEISA-N 1 0 284.312 1.824 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2COCO2)c1 ZINC000894871721 619112328 /nfs/dbraw/zinc/11/23/28/619112328.db2.gz VXBBGEZWGHLIGD-SNVBAGLBSA-N 1 0 272.688 1.711 20 5 CDBDRO Cc1cnc(N2CCC(O)(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000894954491 619163139 /nfs/dbraw/zinc/16/31/39/619163139.db2.gz DLBHCAQLCLYYMR-UHFFFAOYSA-N 1 0 294.355 1.191 20 5 CDBDRO CCC[C@@H]1CN(c2ncccc2[N+](=O)[O-])CC[NH2+]1 ZINC000895057591 619242100 /nfs/dbraw/zinc/24/21/00/619242100.db2.gz GMMWYFRSKQHCFB-SNVBAGLBSA-N 1 0 250.302 1.568 20 5 CDBDRO C[C@H](Nc1ccc([N+](=O)[O-])nc1)[C@@H]1C[N@H+](C)CCN1C ZINC000895245630 619486403 /nfs/dbraw/zinc/48/64/03/619486403.db2.gz HEHCUITYMJYJHD-JQWIXIFHSA-N 1 0 279.344 1.036 20 5 CDBDRO C[C@@H](Nc1ccc([N+](=O)[O-])nc1)[C@H]1C[N@H+](C)CCN1C ZINC000895245632 619486819 /nfs/dbraw/zinc/48/68/19/619486819.db2.gz HEHCUITYMJYJHD-ZYHUDNBSSA-N 1 0 279.344 1.036 20 5 CDBDRO C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895246893 619492873 /nfs/dbraw/zinc/49/28/73/619492873.db2.gz QXOUJWOLVXHDEZ-ZYHUDNBSSA-N 1 0 279.344 1.036 20 5 CDBDRO CC1(C)CNC(=O)[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000925153690 620495820 /nfs/dbraw/zinc/49/58/20/620495820.db2.gz NBMJSUYCKQPGQW-LBPRGKRZSA-N 1 0 277.324 1.252 20 5 CDBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000899866161 622499164 /nfs/dbraw/zinc/49/91/64/622499164.db2.gz MSLTZWXLBPSFOV-UHFFFAOYSA-N 1 0 277.368 1.690 20 5 CDBDRO CN(C)[C@@H](C[NH2+]CC[N+](=O)[O-])c1ccccc1Cl ZINC000905021829 626389197 /nfs/dbraw/zinc/38/91/97/626389197.db2.gz BEQWENSOBYKUCJ-LBPRGKRZSA-N 1 0 271.748 1.809 20 5 CDBDRO O=[N+]([O-])CC[NH2+]Cc1ccc(Br)cc1 ZINC000905060029 626610123 /nfs/dbraw/zinc/61/01/23/626610123.db2.gz RHXWFQPFDQGRJN-UHFFFAOYSA-N 1 0 259.103 1.815 20 5 CDBDRO CCOc1cc(C[NH2+]CC[N+](=O)[O-])ccc1OC ZINC000905116623 626628028 /nfs/dbraw/zinc/62/80/28/626628028.db2.gz HGUYKFUEOLNWIU-UHFFFAOYSA-N 1 0 254.286 1.460 20 5 CDBDRO COc1ccc([C@@H](OC)[C@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000905197048 626674139 /nfs/dbraw/zinc/67/41/39/626674139.db2.gz UIIAEWGOTBJWKH-GWCFXTLKSA-N 1 0 268.313 1.638 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000905204080 626690495 /nfs/dbraw/zinc/69/04/95/626690495.db2.gz NWGFTEVZGZDWDB-UHFFFAOYSA-N 1 0 294.286 1.675 20 5 CDBDRO CC(C)(C)c1ccc([C@@H](O)C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905355613 626766580 /nfs/dbraw/zinc/76/65/80/626766580.db2.gz YXTPBTIYGSHRFM-ZDUSSCGKSA-N 1 0 266.341 1.884 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNCC[N+](=O)[O-] ZINC000905402481 626797778 /nfs/dbraw/zinc/79/77/78/626797778.db2.gz ZMMPMOKTWJXGNA-HIFRSBDPSA-N 1 0 277.368 1.621 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000911655258 629401331 /nfs/dbraw/zinc/40/13/31/629401331.db2.gz FXRQJDOIQHRXNX-SECBINFHSA-N 1 0 295.364 1.751 20 5 CDBDRO CC[NH2+]CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911750695 629468868 /nfs/dbraw/zinc/46/88/68/629468868.db2.gz PNFUYPAUAQCSPG-STQMWFEESA-N 1 0 277.324 1.424 20 5 CDBDRO C[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000911808564 629540170 /nfs/dbraw/zinc/54/01/70/629540170.db2.gz DZUJMKGQAXLTOE-SNVBAGLBSA-N 1 0 295.314 1.487 20 5 CDBDRO CC(C)C[C@H]([NH3+])CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000912261602 629874750 /nfs/dbraw/zinc/87/47/50/629874750.db2.gz IECCMXKRCGWOAY-LBPRGKRZSA-N 1 0 279.340 1.975 20 5 CDBDRO C[N@@H+]1CC[C@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000914325444 631343720 /nfs/dbraw/zinc/34/37/20/631343720.db2.gz KEHVQNYOFAPUAR-ZDUSSCGKSA-N 1 0 292.339 1.141 20 5 CDBDRO C[NH+](C)CCCOC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000914710130 631549542 /nfs/dbraw/zinc/54/95/42/631549542.db2.gz OMBDKMURBNSIMZ-UHFFFAOYSA-N 1 0 282.296 1.469 20 5 CDBDRO C[N@H+](CCn1ccnc1[N+](=O)[O-])Cc1ccccc1 ZINC000918379450 632362894 /nfs/dbraw/zinc/36/28/94/632362894.db2.gz WZOGGMRLXIHETP-UHFFFAOYSA-N 1 0 260.297 1.923 20 5 CDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000918694355 632423631 /nfs/dbraw/zinc/42/36/31/632423631.db2.gz ZNJYDPKZXRBYMC-SNVBAGLBSA-N 1 0 268.317 1.239 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2C[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170309672 1162340102 /nfs/dbraw/zinc/34/01/02/1162340102.db2.gz RJXLOYSWWBDZSH-GVXVVHGQSA-N 1 0 294.351 1.895 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCCN1c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001157744774 1162385852 /nfs/dbraw/zinc/38/58/52/1162385852.db2.gz XXSSNRZYAUYYKX-VXNVDRBHSA-N 1 0 270.720 1.959 20 5 CDBDRO [NH3+]C1(CO)CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804458071 1162477271 /nfs/dbraw/zinc/47/72/71/1162477271.db2.gz HHKRSMWTWALMFZ-UHFFFAOYSA-N 1 0 285.731 1.538 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000090360254 1158774214 /nfs/dbraw/zinc/77/42/14/1158774214.db2.gz XDCCLPBDLGXOIU-PHIMTYICSA-N 1 0 292.295 1.154 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H](CO)c2ccc(O)cc2)C1 ZINC001169000755 1161996915 /nfs/dbraw/zinc/99/69/15/1161996915.db2.gz BHQHVQSMUGQVEN-SUHUHFCYSA-N 1 0 280.324 1.461 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2nncs2)C1 ZINC001168999106 1161997209 /nfs/dbraw/zinc/99/72/09/1161997209.db2.gz RYWGNXFVHRNMRV-RKDXNWHRSA-N 1 0 256.331 1.116 20 5 CDBDRO Cc1c([N+](=O)[O-])cc(F)cc1-n1nncc1C[NH3+] ZINC001169311527 1162003648 /nfs/dbraw/zinc/00/36/48/1162003648.db2.gz YYAMHTSQDGJGCC-UHFFFAOYSA-N 1 0 251.221 1.082 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876836876 1165926279 /nfs/dbraw/zinc/92/62/79/1165926279.db2.gz CJDRDEJDCDZAJU-TXEJJXNPSA-N 1 0 289.335 1.503 20 5 CDBDRO C[S@](=O)CCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000877050820 1165964416 /nfs/dbraw/zinc/96/44/16/1165964416.db2.gz FLGGLOAZPHRTML-FQEVSTJZSA-N 1 0 297.336 1.594 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC001155583770 1167242970 /nfs/dbraw/zinc/24/29/70/1167242970.db2.gz QXDDIKAXUQQNJL-VGMNWLOBSA-N 1 0 297.746 1.757 20 5 CDBDRO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC001575070688 1171102420 /nfs/dbraw/zinc/10/24/20/1171102420.db2.gz BQTSLRGQORCCGW-RCCPXBDUSA-N 1 0 289.335 1.707 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001576880973 1171545795 /nfs/dbraw/zinc/54/57/95/1171545795.db2.gz JONQFVMZNHADCO-DTWKUNHWSA-N 1 0 293.298 1.621 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C12CC(C1)C[NH2+]2 ZINC001578189855 1171830740 /nfs/dbraw/zinc/83/07/40/1171830740.db2.gz WVHXPCPDZSUDFO-UHFFFAOYSA-N 1 0 291.307 1.684 20 5 CDBDRO C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])[C@@H]2C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC001579482808 1172194391 /nfs/dbraw/zinc/19/43/91/1172194391.db2.gz XKKAIAPWJBNFOG-WBKHQIRZSA-N 1 0 289.335 1.755 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC001579642731 1172232749 /nfs/dbraw/zinc/23/27/49/1172232749.db2.gz SOUXUIARWSDPBO-MNOVXSKESA-N 1 0 290.323 1.265 20 5 CDBDRO Cc1ccc(NC(=O)C2(C)C[NH2+]C2)c(N)c1[N+](=O)[O-] ZINC001579716001 1172247563 /nfs/dbraw/zinc/24/75/63/1172247563.db2.gz YNQHVWSMIPCZPQ-UHFFFAOYSA-N 1 0 264.285 1.033 20 5 CDBDRO C[C@@H](C(=O)NCCC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000406009360 1186581585 /nfs/dbraw/zinc/58/15/85/1186581585.db2.gz ZLEKNKAORDEHGQ-SNVBAGLBSA-N 1 0 279.340 1.942 20 5 CDBDRO CN(CC[N+](=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000929762458 735153210 /nfs/dbraw/zinc/15/32/10/735153210.db2.gz MPCZHXWWWSJHBH-SNVBAGLBSA-N 1 0 273.333 1.204 20 5 CDBDRO CSCC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000932592309 735291657 /nfs/dbraw/zinc/29/16/57/735291657.db2.gz UAUOAGURHSOOBM-UHFFFAOYSA-N 1 0 284.385 1.866 20 5 CDBDRO C[N@H+](CCCF)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000887141057 735353432 /nfs/dbraw/zinc/35/34/32/735353432.db2.gz DJEWBIVLIGTRRE-LBPRGKRZSA-N 1 0 256.277 1.920 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCOC2)c1 ZINC000818974799 735457619 /nfs/dbraw/zinc/45/76/19/735457619.db2.gz FOGFMKFJFKFRRR-MFKMUULPSA-N 1 0 266.297 1.254 20 5 CDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[NH+](C)C ZINC000843766044 735458541 /nfs/dbraw/zinc/45/85/41/735458541.db2.gz WIHCGIXMTNLGRM-QMMMGPOBSA-N 1 0 283.303 1.722 20 5 CDBDRO COCCN(C)CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873037342 735768742 /nfs/dbraw/zinc/76/87/42/735768742.db2.gz UOOTXBIJKCWMFV-UHFFFAOYSA-N 1 0 295.383 1.879 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCOCC2CC2)c1 ZINC000819040156 735847407 /nfs/dbraw/zinc/84/74/07/735847407.db2.gz JDRISGXLQWBECM-AWEZNQCLSA-N 1 0 280.324 1.644 20 5 CDBDRO COC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000126724025 735920893 /nfs/dbraw/zinc/92/08/93/735920893.db2.gz OUPKSZADVHGXEC-KBPBESRZSA-N 1 0 282.340 1.889 20 5 CDBDRO C[NH2+]CCc1nc(Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000822861279 735938713 /nfs/dbraw/zinc/93/87/13/735938713.db2.gz BPGPPLQMWONOPO-UHFFFAOYSA-N 1 0 276.296 1.639 20 5 CDBDRO [NH3+]CCN(Cc1cc[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC000809735210 736051245 /nfs/dbraw/zinc/05/12/45/736051245.db2.gz VLGLDPGYLBLHMK-UHFFFAOYSA-N 1 0 261.285 1.283 20 5 CDBDRO CC[C@@]1([NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])CCOC1 ZINC000893996670 736107210 /nfs/dbraw/zinc/10/72/10/736107210.db2.gz KLIFZCGSVNQSOW-CQSZACIVSA-N 1 0 296.323 1.968 20 5 CDBDRO O=[N+]([O-])c1ncccc1Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000887463325 736282056 /nfs/dbraw/zinc/28/20/56/736282056.db2.gz ZRTHBRNPIFDVSW-SNVBAGLBSA-N 1 0 288.311 1.097 20 5 CDBDRO CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000858583833 736325690 /nfs/dbraw/zinc/32/56/90/736325690.db2.gz HMEUKKHDBWFBBJ-VHSXEESVSA-N 1 0 281.312 1.654 20 5 CDBDRO C[NH+](C)CCCOC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000791816365 733274486 /nfs/dbraw/zinc/27/44/86/733274486.db2.gz YLBNWDILKVVDEF-UHFFFAOYSA-N 1 0 288.250 1.982 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000825201032 733275105 /nfs/dbraw/zinc/27/51/05/733275105.db2.gz IJUORYIVFVVHRX-BDAKNGLRSA-N 1 0 278.312 1.034 20 5 CDBDRO C[C@@H]1[C@H](C)N(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000844642304 733296841 /nfs/dbraw/zinc/29/68/41/733296841.db2.gz IVDCDRYBNMLXPB-TUAOUCFPSA-N 1 0 285.388 1.761 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870966031 733358126 /nfs/dbraw/zinc/35/81/26/733358126.db2.gz ZRGSOKJJSNKNSU-PHIMTYICSA-N 1 0 277.324 1.679 20 5 CDBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000230073588 733379336 /nfs/dbraw/zinc/37/93/36/733379336.db2.gz NOXISUGXJWCOLH-UHFFFAOYSA-N 1 0 283.715 1.859 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)c(OCC2C[NH2+]C2)cc1F ZINC000302649682 733406038 /nfs/dbraw/zinc/40/60/38/733406038.db2.gz VOKZGFMQWDBEHU-UHFFFAOYSA-N 1 0 260.652 1.986 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CC[C@H](O)CC2)cc1 ZINC000819373246 733449564 /nfs/dbraw/zinc/44/95/64/733449564.db2.gz CZLDDVUWBAQRPZ-UBHSHLNASA-N 1 0 280.324 1.521 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000129247158 733491263 /nfs/dbraw/zinc/49/12/63/733491263.db2.gz CCKNIXWYYGGKHO-WPRPVWTQSA-N 1 0 281.287 1.686 20 5 CDBDRO Cc1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(C)o1 ZINC000122502447 733526840 /nfs/dbraw/zinc/52/68/40/733526840.db2.gz XNAVIQMZKFCGDM-UHFFFAOYSA-N 1 0 264.285 1.791 20 5 CDBDRO C[C@@H](CCO)[N@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000930176371 733553293 /nfs/dbraw/zinc/55/32/93/733553293.db2.gz DYTRYVUNZXQRKB-LBPRGKRZSA-N 1 0 252.314 1.536 20 5 CDBDRO COc1cc(N2C[C@@H](C)[NH2+]C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000227856459 733556152 /nfs/dbraw/zinc/55/61/52/733556152.db2.gz NXNQHALQBHVSKM-BDAKNGLRSA-N 1 0 283.303 1.929 20 5 CDBDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000819105843 733599279 /nfs/dbraw/zinc/59/92/79/733599279.db2.gz QFBTYKFAZAYKCL-KYOSRNDESA-N 1 0 293.367 1.701 20 5 CDBDRO CC[C@H]1CN(C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000839393268 733656239 /nfs/dbraw/zinc/65/62/39/733656239.db2.gz ZRDFWSHVWDPICV-JTQLQIEISA-N 1 0 295.314 1.900 20 5 CDBDRO CC(C)(C)CC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001031662746 733680974 /nfs/dbraw/zinc/68/09/74/733680974.db2.gz KSQDQXPZRCYCGL-VXGBXAGGSA-N 1 0 283.372 1.136 20 5 CDBDRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000930097371 733733627 /nfs/dbraw/zinc/73/36/27/733733627.db2.gz DRJVFMFDZPISST-DDTOSNHZSA-N 1 0 291.351 1.765 20 5 CDBDRO Cc1c(C[NH2+]CCCc2cnn(C)n2)cccc1[N+](=O)[O-] ZINC000873128199 733754704 /nfs/dbraw/zinc/75/47/04/733754704.db2.gz HBEUTOSBYOFTSO-UHFFFAOYSA-N 1 0 289.339 1.754 20 5 CDBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839536865 733770920 /nfs/dbraw/zinc/77/09/20/733770920.db2.gz RQVJAWQKXAMTLU-JHJVBQTASA-N 1 0 283.372 1.422 20 5 CDBDRO C[C@@H]([NH3+])CN(C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000877098145 733777236 /nfs/dbraw/zinc/77/72/36/733777236.db2.gz OCRSWIOFJCNYLK-ZJUUUORDSA-N 1 0 297.380 1.881 20 5 CDBDRO C[C@@H]([NH2+][C@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815598109 733778326 /nfs/dbraw/zinc/77/83/26/733778326.db2.gz MXHDVOOJZXKYCW-SCZZXKLOSA-N 1 0 251.286 1.617 20 5 CDBDRO CC(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001072724783 733803264 /nfs/dbraw/zinc/80/32/64/733803264.db2.gz FHBQGZRQWZZIDO-CHWSQXEVSA-N 1 0 295.383 1.232 20 5 CDBDRO O=[N+]([O-])c1c(F)nccc1NCC[N@H+]1CC=CCC1 ZINC000882285718 733812229 /nfs/dbraw/zinc/81/22/29/733812229.db2.gz YTHCPNHXXDRQLZ-UHFFFAOYSA-N 1 0 266.276 1.803 20 5 CDBDRO O=C(CC[NH2+]CC1CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000717162558 733846511 /nfs/dbraw/zinc/84/65/11/733846511.db2.gz AJBZEMOPTOQXJL-UHFFFAOYSA-N 1 0 263.297 1.923 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCN(C3CC3)C2)c1 ZINC000818976337 733862250 /nfs/dbraw/zinc/86/22/50/733862250.db2.gz AIUQHGZASQYHOC-IUODEOHRSA-N 1 0 291.351 1.455 20 5 CDBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[C@H]1O ZINC000776277182 733875778 /nfs/dbraw/zinc/87/57/78/733875778.db2.gz LQSRGTCPIUFTAV-CFVMTHIKSA-N 1 0 294.351 1.721 20 5 CDBDRO CC(C)C[N@@H+]1CC[C@H](CNc2c([N+](=O)[O-])cnn2C)C1 ZINC000892894087 733915334 /nfs/dbraw/zinc/91/53/34/733915334.db2.gz SZWUNHUSKRIQIG-LLVKDONJSA-N 1 0 281.360 1.718 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000925488953 733970205 /nfs/dbraw/zinc/97/02/05/733970205.db2.gz HIYLRRVDNMWRNX-ZWNOBZJWSA-N 1 0 279.340 1.834 20 5 CDBDRO Cc1c(CN2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cccc1[N+](=O)[O-] ZINC000931282126 734029828 /nfs/dbraw/zinc/02/98/28/734029828.db2.gz JDVMZMCBJATWEX-NHAGDIPZSA-N 1 0 275.352 1.895 20 5 CDBDRO [NH3+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000228891136 734034450 /nfs/dbraw/zinc/03/44/50/734034450.db2.gz NOCLJTVWOUVBKE-UHFFFAOYSA-N 1 0 257.240 1.801 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H](C[NH+](C)C)C1 ZINC000795080737 734071986 /nfs/dbraw/zinc/07/19/86/734071986.db2.gz MVLCLOMTQOEITA-GFCCVEGCSA-N 1 0 295.387 1.898 20 5 CDBDRO CC(C)(C)[N@@H+](CC(N)=O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586727 734089412 /nfs/dbraw/zinc/08/94/12/734089412.db2.gz OZUHBSJKSZEWJJ-GFCCVEGCSA-N 1 0 295.339 1.214 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000923381975 734097287 /nfs/dbraw/zinc/09/72/87/734097287.db2.gz WQDXNWRXOOONGE-CABCVRRESA-N 1 0 291.351 1.456 20 5 CDBDRO CC(C)[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000831599099 734161748 /nfs/dbraw/zinc/16/17/48/734161748.db2.gz JVGIFDZDFCDNRU-GFCCVEGCSA-N 1 0 292.339 1.247 20 5 CDBDRO CC[N@@H+]1CCCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881961048 734214757 /nfs/dbraw/zinc/21/47/57/734214757.db2.gz RKJWNVAXLQIRMN-UHFFFAOYSA-N 1 0 268.292 1.661 20 5 CDBDRO O=C(NCC1C[NH+](CC2CCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031660922 734229310 /nfs/dbraw/zinc/22/93/10/734229310.db2.gz WXZLKFMPBMXPKD-ZIAGYGMSSA-N 1 0 295.383 1.280 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000302422127 734254484 /nfs/dbraw/zinc/25/44/84/734254484.db2.gz LSJCAOZRPRBXJS-UHFFFAOYSA-N 1 0 271.704 1.669 20 5 CDBDRO CNC(=O)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231885336 734326036 /nfs/dbraw/zinc/32/60/36/734326036.db2.gz UMYSOGQBDZVDQE-UHFFFAOYSA-N 1 0 265.313 1.519 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000877535554 734333395 /nfs/dbraw/zinc/33/33/95/734333395.db2.gz PVOYXIWUCBDDEO-GFCCVEGCSA-N 1 0 291.351 1.909 20 5 CDBDRO COc1ccc(C[NH2+]C2CSC2)cc1[N+](=O)[O-] ZINC000702028642 734343649 /nfs/dbraw/zinc/34/36/49/734343649.db2.gz VQCOMEBMAONOGJ-UHFFFAOYSA-N 1 0 254.311 1.808 20 5 CDBDRO CON(C)C(=O)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000858325876 734372106 /nfs/dbraw/zinc/37/21/06/734372106.db2.gz PXUUIZCSECNQIX-SECBINFHSA-N 1 0 267.285 1.093 20 5 CDBDRO CC[NH+](CC)CCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823997293 734505969 /nfs/dbraw/zinc/50/59/69/734505969.db2.gz AWZOSTIQBUWOKI-UHFFFAOYSA-N 1 0 295.343 1.640 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2C[NH2+]CCCO2)c1 ZINC000841086360 734550174 /nfs/dbraw/zinc/55/01/74/734550174.db2.gz NGRXQTPOIZNJNG-LBPRGKRZSA-N 1 0 299.758 1.716 20 5 CDBDRO C[NH+](C)C[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000749391185 734552200 /nfs/dbraw/zinc/55/22/00/734552200.db2.gz BJVRUMFSSVHPMH-LLVKDONJSA-N 1 0 264.329 1.768 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923330993 734574445 /nfs/dbraw/zinc/57/44/45/734574445.db2.gz GJRYQRNBAMCWOL-CABCVRRESA-N 1 0 291.351 1.314 20 5 CDBDRO CC[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702055799 734683954 /nfs/dbraw/zinc/68/39/54/734683954.db2.gz MUJRWDXUGSYDRP-UHFFFAOYSA-N 1 0 271.704 1.588 20 5 CDBDRO COc1ccc(CN(C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000311174198 734745450 /nfs/dbraw/zinc/74/54/50/734745450.db2.gz VFHAORXSFUXHPW-VIFPVBQESA-N 1 0 253.302 1.382 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819008306 734754158 /nfs/dbraw/zinc/75/41/58/734754158.db2.gz WIRSYPYQWGCLSK-SWLSCSKDSA-N 1 0 295.383 1.948 20 5 CDBDRO NC(=O)C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000808774963 734777607 /nfs/dbraw/zinc/77/76/07/734777607.db2.gz HSSRNIBXMJJWFO-SECBINFHSA-N 1 0 297.742 1.946 20 5 CDBDRO CC(C)(CCc1noc(-c2coc(C[NH3+])c2)n1)[N+](=O)[O-] ZINC000823235997 734785867 /nfs/dbraw/zinc/78/58/67/734785867.db2.gz XGGAUHGPVGRPOV-UHFFFAOYSA-N 1 0 280.284 1.776 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000701921900 734812061 /nfs/dbraw/zinc/81/20/61/734812061.db2.gz AQNYTXCNVHKRGF-ZETCQYMHSA-N 1 0 271.704 1.586 20 5 CDBDRO C[N@@H+]1CC[C@@](O)(CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000702622005 734832569 /nfs/dbraw/zinc/83/25/69/734832569.db2.gz DQRSCIQPLOJRHM-GFCCVEGCSA-N 1 0 285.731 1.727 20 5 CDBDRO C[C@@H]1CSC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000796398748 734839090 /nfs/dbraw/zinc/83/90/90/734839090.db2.gz QIFQXKVOZQCITD-OASPWFOLSA-N 1 0 282.365 1.969 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](CF)C1 ZINC000880299822 734849695 /nfs/dbraw/zinc/84/96/95/734849695.db2.gz YBJWMKFJJXBESF-VXGBXAGGSA-N 1 0 298.314 1.626 20 5 CDBDRO C[C@H](O)[C@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178861454 734862296 /nfs/dbraw/zinc/86/22/96/734862296.db2.gz IXUKYMIFTCHEDL-GLQYFDAESA-N 1 0 294.351 1.864 20 5 CDBDRO C[C@@H](CCCC[NH3+])NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834787156 734896310 /nfs/dbraw/zinc/89/63/10/734896310.db2.gz XKRSMNTUFYJSPV-VIFPVBQESA-N 1 0 280.328 1.424 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C)[C@H](C)C1 ZINC000797518347 735005198 /nfs/dbraw/zinc/00/51/98/735005198.db2.gz CFAOFSXNLUCWMP-LLVKDONJSA-N 1 0 279.340 1.739 20 5 CDBDRO CC[NH+]1CCC(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818941136 735053737 /nfs/dbraw/zinc/05/37/37/735053737.db2.gz PCZCHDLVLBPURJ-OAHLLOKOSA-N 1 0 293.367 1.702 20 5 CDBDRO CO[C@@H]1CC[C@@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000851992072 735058629 /nfs/dbraw/zinc/05/86/29/735058629.db2.gz BIVLWMIFHJXIGZ-CHWSQXEVSA-N 1 0 294.355 1.996 20 5 CDBDRO CN(CC[NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841854553 735132928 /nfs/dbraw/zinc/13/29/28/735132928.db2.gz BSLSKVCXWTXHNM-UHFFFAOYSA-N 1 0 286.719 1.348 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841232246 735171194 /nfs/dbraw/zinc/17/11/94/735171194.db2.gz CIWWNVLFGGWRBQ-LURJTMIESA-N 1 0 272.692 1.717 20 5 CDBDRO C[NH2+]Cc1cn(Cc2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC000881227224 735182808 /nfs/dbraw/zinc/18/28/08/735182808.db2.gz OMNHWNVEHCTXFY-UHFFFAOYSA-N 1 0 281.703 1.607 20 5 CDBDRO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000776582895 735234651 /nfs/dbraw/zinc/23/46/51/735234651.db2.gz WDSGAUGDFHLAFE-BXUZGUMPSA-N 1 0 280.324 1.739 20 5 CDBDRO CC(C)[C@@H]([NH3+])CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817957328 735571374 /nfs/dbraw/zinc/57/13/74/735571374.db2.gz AYRNLWZKLSHFRO-CABZTGNLSA-N 1 0 266.345 1.811 20 5 CDBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc([N+](=O)[O-])o1 ZINC000877245663 735648520 /nfs/dbraw/zinc/64/85/20/735648520.db2.gz KSDBZMFGUWGBOH-ILWJIGKKSA-N 1 0 279.296 1.448 20 5 CDBDRO CON(C)C(=O)[C@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000858319971 736133973 /nfs/dbraw/zinc/13/39/73/736133973.db2.gz LQWZHYXXIDVHOF-JYKYSHPRSA-N 1 0 293.323 1.606 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2C[C@H](O)C2)c1 ZINC000850417771 736249058 /nfs/dbraw/zinc/24/90/58/736249058.db2.gz LDKUSCKDEGTDJM-CZMCAQCFSA-N 1 0 256.689 1.861 20 5 CDBDRO CC(C)CC[C@H]([NH3+])C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001575560950 1167650426 /nfs/dbraw/zinc/65/04/26/1167650426.db2.gz QQVILXLBABEINM-NSHDSACASA-N 1 0 280.328 1.879 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001576607924 1167665744 /nfs/dbraw/zinc/66/57/44/1167665744.db2.gz LLVOSYBHMGBJQV-SCZZXKLOSA-N 1 0 281.287 1.225 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCN(C)C1=O ZINC001173218757 912303501 /nfs/dbraw/zinc/30/35/01/912303501.db2.gz LQEMIEHNZACTIE-FZMZJTMJSA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(C)C(=O)C1 ZINC001173214212 912337795 /nfs/dbraw/zinc/33/77/95/912337795.db2.gz NINFVJKFTKBESF-AAEUAGOBSA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC001173211196 912337813 /nfs/dbraw/zinc/33/78/13/912337813.db2.gz QYUXJLOUSRZEGP-ZYHUDNBSSA-N 1 0 298.364 1.303 20 5 CDBDRO C[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001233702064 912993282 /nfs/dbraw/zinc/99/32/82/912993282.db2.gz KCAQOSKWBSUIMR-VIFPVBQESA-N 1 0 267.241 1.586 20 5 CDBDRO C[NH2+]Cc1c(C)nn(-c2ccc([N+](=O)[O-])c(N)n2)c1C ZINC001167099317 894505926 /nfs/dbraw/zinc/50/59/26/894505926.db2.gz RVLOIURLSCDDOB-UHFFFAOYSA-N 1 0 276.300 1.094 20 5 CDBDRO C[NH+]1C[C@H]2CN(c3cc([N+](=O)[O-])cc(Cl)n3)C[C@@H]2C1 ZINC000706255625 895218137 /nfs/dbraw/zinc/21/81/37/895218137.db2.gz OOIMHUUIBJXCMM-IUCAKERBSA-N 1 0 282.731 1.641 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOc2ncccc2[N+](=O)[O-])C1 ZINC001225598963 903220468 /nfs/dbraw/zinc/22/04/68/903220468.db2.gz ZTVNZVRDBOAXTC-SNVBAGLBSA-N 1 0 267.285 1.089 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2ccnc(Cl)c2[N+](=O)[O-])C1 ZINC000710629444 903346090 /nfs/dbraw/zinc/34/60/90/903346090.db2.gz BMRTUWBFSSWTGM-SSDOTTSWSA-N 1 0 257.677 1.726 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ncc1NC1(C)CC[NH2+]CC1 ZINC001168187758 907767849 /nfs/dbraw/zinc/76/78/49/907767849.db2.gz FYHBDVOAKHCJGM-UHFFFAOYSA-N 1 0 294.311 1.330 20 5 CDBDRO [NH3+]Cc1cnn(-c2ccnc3c2cccc3[N+](=O)[O-])c1 ZINC001168259682 908008978 /nfs/dbraw/zinc/00/89/78/908008978.db2.gz SQVLNOKAEWHIHX-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO COC(=O)[C@H]1CCC[C@@H](OCCC[N+](C)(C)C)C1 ZINC001224623385 909988150 /nfs/dbraw/zinc/98/81/50/909988150.db2.gz NCIWQVWMKPMTCV-QWHCGFSZSA-N 1 0 258.382 1.831 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CC(O)C1)CC2 ZINC001172909156 912036280 /nfs/dbraw/zinc/03/62/80/912036280.db2.gz PIWMOGQZQJJNRB-LBPRGKRZSA-N 1 0 262.309 1.519 20 5 CDBDRO Nc1nc(NCc2ccccc2C[NH3+])ccc1[N+](=O)[O-] ZINC000094261888 915730047 /nfs/dbraw/zinc/73/00/47/915730047.db2.gz ZHVAPUFVVPZCBM-UHFFFAOYSA-N 1 0 273.296 1.643 20 5 CDBDRO C[C@H](Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])C(C)(C)C ZINC001168683769 920577549 /nfs/dbraw/zinc/57/75/49/920577549.db2.gz UEZMSPREFXOJBC-QMMMGPOBSA-N 1 0 279.344 1.918 20 5 CDBDRO C[NH+](C)C1CN(c2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001163933600 924403127 /nfs/dbraw/zinc/40/31/27/924403127.db2.gz KZPLOBTWYAXTLG-UHFFFAOYSA-N 1 0 272.308 1.893 20 5 CDBDRO C[C@@H]1CC[C@H](C[NH3+])N(c2ccc([N+](=O)[O-])c(N)n2)C1 ZINC001164075936 924576362 /nfs/dbraw/zinc/57/63/62/924576362.db2.gz ZBNIKOCXBFQISM-RKDXNWHRSA-N 1 0 265.317 1.136 20 5 CDBDRO [NH3+][C@@H]1CCN(c2ncc3cccc([N+](=O)[O-])c3n2)C1 ZINC001164281264 924745894 /nfs/dbraw/zinc/74/58/94/924745894.db2.gz WVWOOXGHVIYIIY-SECBINFHSA-N 1 0 259.269 1.075 20 5 CDBDRO [NH3+]C1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000081590259 925392390 /nfs/dbraw/zinc/39/23/90/925392390.db2.gz YRLIUJRUPGJDBR-UHFFFAOYSA-N 1 0 273.296 1.466 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001154977979 926266653 /nfs/dbraw/zinc/26/66/53/926266653.db2.gz PMUKKVQHMDCHMW-SFYZADRCSA-N 1 0 281.272 1.580 20 5 CDBDRO Cc1cc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)ncc1[N+](=O)[O-] ZINC001168815028 927470051 /nfs/dbraw/zinc/47/00/51/927470051.db2.gz DUQZAOQFXVXETN-SNVBAGLBSA-N 1 0 273.296 1.300 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(O)cc2)C1 ZINC001168976200 927561354 /nfs/dbraw/zinc/56/13/54/927561354.db2.gz ZJGPATLIBVDTPJ-MPKXVKKWSA-N 1 0 280.324 1.461 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](CO)c2cccc(F)c2)C1 ZINC001168978185 927565096 /nfs/dbraw/zinc/56/50/96/927565096.db2.gz PKXAIWPDCHPHQW-LERXQTSPSA-N 1 0 282.315 1.894 20 5 CDBDRO O=C(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)Cc1ccccc1 ZINC001168985894 927576584 /nfs/dbraw/zinc/57/65/84/927576584.db2.gz VJKWQUOTLINKBU-ZIAGYGMSSA-N 1 0 276.336 1.833 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2nccs2)C1 ZINC001168958752 927579617 /nfs/dbraw/zinc/57/96/17/927579617.db2.gz OZVJSIJYEFGFMA-ZJUUUORDSA-N 1 0 255.343 1.721 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2nccs2)C1 ZINC001168958747 927580368 /nfs/dbraw/zinc/58/03/68/927580368.db2.gz OZVJSIJYEFGFMA-NXEZZACHSA-N 1 0 255.343 1.721 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1nnc2ccccn21 ZINC001168960704 927581655 /nfs/dbraw/zinc/58/16/55/927581655.db2.gz GJAJNTZBSODOKK-QJPTWQEYSA-N 1 0 289.339 1.825 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC001168965985 927589973 /nfs/dbraw/zinc/58/99/73/927589973.db2.gz FJSTYOMYUMNCTP-KBPBESRZSA-N 1 0 264.325 1.714 20 5 CDBDRO NC(=[NH2+])N(c1ccc(F)cc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168969892 927591403 /nfs/dbraw/zinc/59/14/03/927591403.db2.gz GFKQDHUFKMFSST-SKDRFNHKSA-N 1 0 280.303 1.971 20 5 CDBDRO C[C@H](CN1CCCC1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968164 927592358 /nfs/dbraw/zinc/59/23/58/927592358.db2.gz XBLQZJSKCZAICP-UPJWGTAASA-N 1 0 255.362 1.506 20 5 CDBDRO O=C1Nc2ccccc2[C@@H]1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169001699 927605147 /nfs/dbraw/zinc/60/51/47/927605147.db2.gz HPPRVLJFHULFFI-GVXVVHGQSA-N 1 0 289.335 1.757 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)C1 ZINC001169001668 927605800 /nfs/dbraw/zinc/60/58/00/927605800.db2.gz HHDQTXOECJBKOV-FVCCEPFGSA-N 1 0 256.346 1.573 20 5 CDBDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@]1(C)O ZINC001169009975 927614729 /nfs/dbraw/zinc/61/47/29/927614729.db2.gz ABMRAKAAUYSVBX-XQHKEYJVSA-N 1 0 256.346 1.525 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3nccnc32)C1 ZINC001168990006 927630407 /nfs/dbraw/zinc/63/04/07/927630407.db2.gz ALYUBDYGKTXLBN-NQBHXWOUSA-N 1 0 276.340 1.889 20 5 CDBDRO CC[N@H+](CCN1CCCC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169033214 927642627 /nfs/dbraw/zinc/64/26/27/927642627.db2.gz BKLITNBGMOBDRG-KBPBESRZSA-N 1 0 269.389 1.850 20 5 CDBDRO Cc1noc([C@@H]2CC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169035140 927645174 /nfs/dbraw/zinc/64/51/74/927645174.db2.gz AKVBAGDKFPZFKD-UTUOFQBUSA-N 1 0 280.328 1.613 20 5 CDBDRO CCCN1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169036674 927647996 /nfs/dbraw/zinc/64/79/96/927647996.db2.gz PODAJCIGOSNQHQ-OLZOCXBDSA-N 1 0 255.362 1.459 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CC(N3CCC(F)(F)C3)C2)C1 ZINC001169037717 927648163 /nfs/dbraw/zinc/64/81/63/927648163.db2.gz TVLSRSPTCAOMIS-WDEREUQCSA-N 1 0 289.326 1.457 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001169025470 927664208 /nfs/dbraw/zinc/66/42/08/927664208.db2.gz JGDRMUSJRLIXKV-RDBSUJKOSA-N 1 0 267.373 1.602 20 5 CDBDRO O=c1[nH]ccc2c1CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169047434 927666905 /nfs/dbraw/zinc/66/69/05/927666905.db2.gz QYNWVVXVAMLBKS-ZYHUDNBSSA-N 1 0 277.324 1.591 20 5 CDBDRO CN1C(=O)CC[C@H]2C[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@H]21 ZINC001169050616 927668274 /nfs/dbraw/zinc/66/82/74/927668274.db2.gz BYIVNGXZLGEHDF-ZOBORPQBSA-N 1 0 295.383 1.375 20 5 CDBDRO COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169052498 927669305 /nfs/dbraw/zinc/66/93/05/927669305.db2.gz GGJKJQQHOUOVLM-YNEHKIRRSA-N 1 0 284.356 1.707 20 5 CDBDRO CCN1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169056310 927672449 /nfs/dbraw/zinc/67/24/49/927672449.db2.gz RMRREIQJSBPDFQ-VOAKCMCISA-N 1 0 253.346 1.210 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1-n1ccc([C@@H](C)[NH3+])n1 ZINC001169231632 927841390 /nfs/dbraw/zinc/84/13/90/927841390.db2.gz OMGDFRMZPBYFIY-SSDOTTSWSA-N 1 0 263.257 1.204 20 5 CDBDRO C[C@@H]([NH3+])c1ccn(-c2cc3c(c([N+](=O)[O-])c2)NN(C)C3)n1 ZINC001169237870 927870950 /nfs/dbraw/zinc/87/09/50/927870950.db2.gz RKISQLKSZVPRMM-MRVPVSSYSA-N 1 0 288.311 1.573 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ncnc1NCC[C@H]1CCC[NH2+]1 ZINC001169561205 928175893 /nfs/dbraw/zinc/17/58/93/928175893.db2.gz HEZNYBWVQXXILM-SSDOTTSWSA-N 1 0 271.708 1.592 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(NCCN(C)CC[NH3+])n1 ZINC001159438737 930111813 /nfs/dbraw/zinc/11/18/13/930111813.db2.gz JCZCACYKOVQXNK-UHFFFAOYSA-N 1 0 287.751 1.254 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001159743564 930778707 /nfs/dbraw/zinc/77/87/07/930778707.db2.gz IFHAMIPARHOLIW-LBPRGKRZSA-N 1 0 277.284 1.007 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886816539 930966099 /nfs/dbraw/zinc/96/60/99/930966099.db2.gz VKDSAJRQFOYIMJ-YPMHNXCESA-N 1 0 277.324 1.991 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(NC[C@H]2CCCC[NH2+]2)n1 ZINC001160148382 931218766 /nfs/dbraw/zinc/21/87/66/931218766.db2.gz QYVXXNBWHKMQCA-SECBINFHSA-N 1 0 281.316 1.256 20 5 CDBDRO Cc1nc(Cl)nc(NC[C@H]2C[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC001155096026 937634120 /nfs/dbraw/zinc/63/41/20/937634120.db2.gz XBNCIWMBGLBLGJ-HTRCEHHLSA-N 1 0 285.735 1.757 20 5 CDBDRO C[NH2+]CCNc1cc([N+](=O)[O-])cc2c(Cl)ncnc12 ZINC001156897161 938430397 /nfs/dbraw/zinc/43/03/97/938430397.db2.gz DXQPNMVPMMSQMZ-UHFFFAOYSA-N 1 0 281.703 1.823 20 5 CDBDRO [NH3+]Cc1cnn(-c2nc(Cl)nc(Cl)c2[N+](=O)[O-])c1 ZINC001157471858 938498572 /nfs/dbraw/zinc/49/85/72/938498572.db2.gz OKBFLFBLSMCWSZ-UHFFFAOYSA-N 1 0 289.082 1.336 20 5 CDBDRO NC(=[NH2+])c1nccn1-c1nccc2ccc([N+](=O)[O-])cc21 ZINC001157626703 938523087 /nfs/dbraw/zinc/52/30/87/938523087.db2.gz MFUAXRMMAPUONR-UHFFFAOYSA-N 1 0 282.263 1.613 20 5 CDBDRO C[C@@H]1[C@@H]([NH3+])CCCN1c1cc(Cl)ncc1[N+](=O)[O-] ZINC001157732247 938537407 /nfs/dbraw/zinc/53/74/07/938537407.db2.gz IQPBZRQUVQDYNA-SFYZADRCSA-N 1 0 270.720 1.959 20 5 CDBDRO C[C@@H]1[C@@H]([NH3+])CCCN1c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001157732509 938537761 /nfs/dbraw/zinc/53/77/61/938537761.db2.gz JTAQIGVPVVUCQT-APPZFPTMSA-N 1 0 270.720 1.959 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCCN1c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001157733625 938537784 /nfs/dbraw/zinc/53/77/84/938537784.db2.gz RAIGAISBYWGHEJ-CBAPKCEASA-N 1 0 281.272 1.214 20 5 CDBDRO COc1cnc(-n2cc3c(n2)CC[C@H]([NH3+])C3)c([N+](=O)[O-])c1 ZINC001157990148 938572666 /nfs/dbraw/zinc/57/26/66/938572666.db2.gz SDYMXLQBIWBMEM-VIFPVBQESA-N 1 0 289.295 1.000 20 5 CDBDRO [NH3+]CCc1cnn(-c2nccc3cc([N+](=O)[O-])ccc32)c1 ZINC001158106202 938583957 /nfs/dbraw/zinc/58/39/57/938583957.db2.gz XOLPQRBHAYNQLX-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO COc1cnc(N2CC[N@H+](C(C)C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001158494631 938629753 /nfs/dbraw/zinc/62/97/53/938629753.db2.gz NBCJBNQHCSOBEY-NSHDSACASA-N 1 0 294.355 1.917 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1NCC12CC[NH+](CC1)CC2 ZINC001158829096 938667798 /nfs/dbraw/zinc/66/77/98/938667798.db2.gz XPBDRUURXPQZGI-UHFFFAOYSA-N 1 0 277.328 1.470 20 5 CDBDRO C[NH+]1CC(CNc2ccc3[nH]cc([N+](=O)[O-])c3n2)C1 ZINC001159220510 938713283 /nfs/dbraw/zinc/71/32/83/938713283.db2.gz YWCCYAZKZOEWGW-UHFFFAOYSA-N 1 0 261.285 1.445 20 5 CDBDRO CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC001160161299 938772514 /nfs/dbraw/zinc/77/25/14/938772514.db2.gz XLDOUFVLSTWWBN-LLVKDONJSA-N 1 0 295.314 1.900 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@@]23CCC[C@@H]2[NH2+]CC3)cn2ccnc12 ZINC001162982681 939168646 /nfs/dbraw/zinc/16/86/46/939168646.db2.gz HJTZISRASURKRF-GXTWGEPZSA-N 1 0 287.323 1.939 20 5 CDBDRO O=[N+]([O-])c1cccnc1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163315037 939245151 /nfs/dbraw/zinc/24/51/51/939245151.db2.gz JDYIGLRVHWABPF-GXFFZTMASA-N 1 0 278.312 1.313 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)cc2cc[nH]c21 ZINC001163342767 939251626 /nfs/dbraw/zinc/25/16/26/939251626.db2.gz XQUMVUPNUGYNRG-SUNKGSAMSA-N 1 0 288.307 1.617 20 5 CDBDRO [NH3+][C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001164281771 939445475 /nfs/dbraw/zinc/44/54/75/939445475.db2.gz MQZSYZOUQFYDAH-ZCFIWIBFSA-N 1 0 276.218 1.546 20 5 CDBDRO [NH3+][C@H]1CCN(c2nccc(Br)c2[N+](=O)[O-])C1 ZINC001164286709 939447115 /nfs/dbraw/zinc/44/71/15/939447115.db2.gz WHLZNIHRURAMLJ-LURJTMIESA-N 1 0 287.117 1.290 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N(C)CC[NH+]2CCCC2)n1 ZINC001165140117 939516163 /nfs/dbraw/zinc/51/61/63/939516163.db2.gz HMJYOJNWIYQABW-UHFFFAOYSA-N 1 0 295.343 1.234 20 5 CDBDRO Cc1cc(Cl)nc(N2C[C@H]3C[NH+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001165146131 939517919 /nfs/dbraw/zinc/51/79/19/939517919.db2.gz BSJSXIRNSPMSHL-NXEZZACHSA-N 1 0 296.758 1.949 20 5 CDBDRO Cc1nc2c(n1-c1cccc([N+](=O)[O-])n1)CC[NH2+]CC2 ZINC001165352361 939549889 /nfs/dbraw/zinc/54/98/89/939549889.db2.gz QZQNHCYFROARET-UHFFFAOYSA-N 1 0 273.296 1.172 20 5 CDBDRO [NH3+][C@H]1[C@H]2CN(c3cc(Cl)cc([N+](=O)[O-])n3)C[C@@H]12 ZINC001165383276 939553699 /nfs/dbraw/zinc/55/36/99/939553699.db2.gz UYHCZNDKTLDBBV-LYIWLLOFSA-N 1 0 254.677 1.037 20 5 CDBDRO Cc1cnc(N2CCC(C3C[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC001165409116 939559825 /nfs/dbraw/zinc/55/98/25/939559825.db2.gz SMNOXTZRRAAHIB-UHFFFAOYSA-N 1 0 276.340 1.734 20 5 CDBDRO [NH3+]CCc1nccn1-c1ccc2nsnc2c1[N+](=O)[O-] ZINC001166369933 939606239 /nfs/dbraw/zinc/60/62/39/939606239.db2.gz OIDBILPHMVLVDP-UHFFFAOYSA-N 1 0 290.308 1.286 20 5 CDBDRO CN(c1ccc(N)c([N+](=O)[O-])c1)c1cc(N)cc[nH+]1 ZINC001209934019 940652463 /nfs/dbraw/zinc/65/24/63/940652463.db2.gz GDWYSGPKQYTAKT-UHFFFAOYSA-N 1 0 259.269 1.922 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@](C)([NH3+])C2)ccc1[N+](=O)[O-] ZINC000405833472 940998109 /nfs/dbraw/zinc/99/81/09/940998109.db2.gz OTFYXPSASNCGRE-ZDUSSCGKSA-N 1 0 263.297 1.467 20 5 CDBDRO COC(=O)c1ccoc1CO[C@H](C)C[N+](C)(C)C ZINC001223067362 941655094 /nfs/dbraw/zinc/65/50/94/941655094.db2.gz FCYMKPARBPQMJV-SNVBAGLBSA-N 1 0 256.322 1.678 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCc1ccc(C(N)=O)cc1 ZINC001223104662 941658191 /nfs/dbraw/zinc/65/81/91/941658191.db2.gz CILRWBOKCIUWCF-NSHDSACASA-O 1 0 251.350 1.397 20 5 CDBDRO COC(=O)c1c(CO[C@H]2CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC001223293403 941667921 /nfs/dbraw/zinc/66/79/21/941667921.db2.gz OAYJDEFKAPWICT-NSHDSACASA-N 1 0 294.307 1.602 20 5 CDBDRO CCOC(=O)C(F)(F)[C@@H](CC)OCC[N+](C)(C)C ZINC001224771034 941790254 /nfs/dbraw/zinc/79/02/54/941790254.db2.gz FHSDWJNWBDIUEH-SNVBAGLBSA-N 1 0 268.324 1.686 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(F)ccc1Cl ZINC001226981662 942107644 /nfs/dbraw/zinc/10/76/44/942107644.db2.gz UDYLDAFCEYMZRD-SNVBAGLBSA-N 1 0 290.742 1.842 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CCC[N@H+](C)C2)c1 ZINC001227045580 942120330 /nfs/dbraw/zinc/12/03/30/942120330.db2.gz XNCVLOOACYCAJF-NSHDSACASA-N 1 0 294.307 1.854 20 5 CDBDRO COC(=O)c1cc(Cl)nnc1O[C@H](C)C[N+](C)(C)C ZINC001227728331 942213884 /nfs/dbraw/zinc/21/38/84/942213884.db2.gz YTMANWUTVRWUPQ-MRVPVSSYSA-N 1 0 288.755 1.390 20 5 CDBDRO Nc1cc(NC2CC[NH+](C3CC3)CC2)ncc1[N+](=O)[O-] ZINC001262677190 943665937 /nfs/dbraw/zinc/66/59/37/943665937.db2.gz GFXUNKZHPAWLAR-UHFFFAOYSA-N 1 0 277.328 1.611 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2ncsc21 ZINC001234474752 943860597 /nfs/dbraw/zinc/86/05/97/943860597.db2.gz QWAKEKPMVPTSHS-SNVBAGLBSA-N 1 0 295.384 1.659 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000382435957 943937705 /nfs/dbraw/zinc/93/77/05/943937705.db2.gz VREPISNNJWIRTB-ZJUUUORDSA-N 1 0 250.302 1.980 20 5 CDBDRO CC(C)(CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465225 947450164 /nfs/dbraw/zinc/45/01/64/947450164.db2.gz UWQZXEPJURQETE-UHFFFAOYSA-N 1 0 293.367 1.924 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC3(C1)OCCO3)C2 ZINC001254600746 947549564 /nfs/dbraw/zinc/54/95/64/947549564.db2.gz QZVGPJCIYZVEMM-CQSZACIVSA-N 1 0 290.319 1.511 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[N@@H+]3CC[C@@H]3C1)C2 ZINC001254605697 947553614 /nfs/dbraw/zinc/55/36/14/947553614.db2.gz CQOYWWPOSQCTPA-HUUCEWRRSA-N 1 0 273.336 1.452 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@](C)([NH3+])C1 ZINC001246533309 948235663 /nfs/dbraw/zinc/23/56/63/948235663.db2.gz CTWICCDXJTWERA-SMDDNHRTSA-N 1 0 263.341 1.949 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2CCCC[C@@]23CC[NH2+]C3)C1 ZINC001246641391 948375939 /nfs/dbraw/zinc/37/59/39/948375939.db2.gz DWZINMHWQHZZFE-RDBSUJKOSA-N 1 0 267.373 1.650 20 5 CDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCC[NH+]1CCC1 ZINC001253509189 951935588 /nfs/dbraw/zinc/93/55/88/951935588.db2.gz ZRODIPVIXQCIRL-UHFFFAOYSA-N 1 0 293.323 1.186 20 5 CDBDRO COc1cc(C[NH2+][C@H]2CCOC2)c([N+](=O)[O-])cc1O ZINC001308551006 956542490 /nfs/dbraw/zinc/54/24/90/956542490.db2.gz LJDURNYYMJSZBW-VIFPVBQESA-N 1 0 268.269 1.188 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1cnn(C)c1C ZINC001330672885 956555173 /nfs/dbraw/zinc/55/51/73/956555173.db2.gz QYOUPOFNARKWBD-SECBINFHSA-N 1 0 292.343 1.492 20 5 CDBDRO CN(C(=O)c1cc([N+](=O)[O-])cn1C)C1(C[NH3+])CCCCC1 ZINC001330951008 956722907 /nfs/dbraw/zinc/72/29/07/956722907.db2.gz NWKIHIPDKWMMQR-UHFFFAOYSA-N 1 0 294.355 1.667 20 5 CDBDRO O=[N+]([O-])c1cccc(CC[NH2+]C2CCS(=O)CC2)c1 ZINC001334981265 959506896 /nfs/dbraw/zinc/50/68/96/959506896.db2.gz AIUUDDBQEZKVIY-UHFFFAOYSA-N 1 0 282.365 1.638 20 5 CDBDRO CC[NH+](CC)C1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC001335416099 959785345 /nfs/dbraw/zinc/78/53/45/959785345.db2.gz GROHDVUXHDEZTJ-UHFFFAOYSA-N 1 0 281.360 1.639 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2(O)CCC2)c1 ZINC001336740431 960527934 /nfs/dbraw/zinc/52/79/34/960527934.db2.gz XENRNZAHRWJTQZ-GFCCVEGCSA-N 1 0 266.297 1.133 20 5 CDBDRO C[C@@H](NC(=O)C[C@H](C)[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001342518978 963757291 /nfs/dbraw/zinc/75/72/91/963757291.db2.gz QLAQUNIHFGKNCJ-DTWKUNHWSA-N 1 0 251.286 1.509 20 5 CDBDRO C[C@@H](C[NH3+])C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001342832196 963835856 /nfs/dbraw/zinc/83/58/56/963835856.db2.gz MMUMUUQXSPFAAA-VHSXEESVSA-N 1 0 265.313 1.409 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001346057746 964903892 /nfs/dbraw/zinc/90/38/92/964903892.db2.gz RSGVCDZFEPZWEI-DDTOSNHZSA-N 1 0 291.351 1.813 20 5 CDBDRO O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001357968983 969673352 /nfs/dbraw/zinc/67/33/52/969673352.db2.gz BIFSAJCOAICCCZ-PYJNHQTQSA-N 1 0 287.319 1.271 20 5 CDBDRO C[C@@H](NC[C@]1(O)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC001573571578 1170695734 /nfs/dbraw/zinc/69/57/34/1170695734.db2.gz JOTFWADVNGGUTB-RISCZKNCSA-N 1 0 279.340 1.360 20 5 CDBDRO CC(C)(C(=O)NCC1([NH3+])CC1)c1ccccc1[N+](=O)[O-] ZINC001575089509 1171110018 /nfs/dbraw/zinc/11/00/18/1171110018.db2.gz NMCROHYZIKWPDC-UHFFFAOYSA-N 1 0 277.324 1.480 20 5 CDBDRO CCc1nn(C)c(N2CC[N@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000601187123 342489452 /nfs/dbraw/zinc/48/94/52/342489452.db2.gz OQCKFRXBWAQBST-UHFFFAOYSA-N 1 0 281.360 1.421 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000320672861 341993817 /nfs/dbraw/zinc/99/38/17/341993817.db2.gz JVKYQRAQTUXCTL-UWVGGRQHSA-N 1 0 265.313 1.759 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000070172192 361737938 /nfs/dbraw/zinc/73/79/38/361737938.db2.gz QEQVPUBVVYKKRE-NXEZZACHSA-N 1 0 295.314 1.933 20 5 CDBDRO CN(CCC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000133758800 342069289 /nfs/dbraw/zinc/06/92/89/342069289.db2.gz IBPSLLRXIHGXMI-UHFFFAOYSA-N 1 0 252.274 1.407 20 5 CDBDRO Cc1n[nH]c(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000609135566 342091760 /nfs/dbraw/zinc/09/17/60/342091760.db2.gz RDGCHMPQXZGFFI-JTQLQIEISA-N 1 0 295.343 1.229 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[NH3+] ZINC000591298646 342624511 /nfs/dbraw/zinc/62/45/11/342624511.db2.gz GWGCUCUAPBPBQG-VIFPVBQESA-N 1 0 266.301 1.680 20 5 CDBDRO C[C@H](C(=O)NCC1([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000591321567 342625757 /nfs/dbraw/zinc/62/57/57/342625757.db2.gz JHLIFEGOURWINN-NSHDSACASA-N 1 0 291.351 1.909 20 5 CDBDRO C[C@H]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@H]1C[NH3+] ZINC000591446299 342632643 /nfs/dbraw/zinc/63/26/43/342632643.db2.gz HUPQLTREEMXXKB-WDEREUQCSA-N 1 0 290.367 1.984 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3CC[NH2+][C@H]3C2)c(Cl)c1 ZINC000591439306 342632096 /nfs/dbraw/zinc/63/20/96/342632096.db2.gz SNRWHPXOPFXBBC-KCJUWKMLSA-N 1 0 282.731 1.831 20 5 CDBDRO C[C@@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCC(=O)N1 ZINC000453583717 252327880 /nfs/dbraw/zinc/32/78/80/252327880.db2.gz DCFZBEDSEKYWSB-NSHDSACASA-N 1 0 269.326 1.415 20 5 CDBDRO CC1(C)C[C@@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591736687 342644913 /nfs/dbraw/zinc/64/49/13/342644913.db2.gz FRNSDXZMSZKFJP-DGCLKSJQSA-N 1 0 294.351 1.970 20 5 CDBDRO CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[NH2+]1 ZINC000592244291 342681009 /nfs/dbraw/zinc/68/10/09/342681009.db2.gz AKHPNVMESUIBRS-SECBINFHSA-N 1 0 283.353 1.726 20 5 CDBDRO CC1([NH3+])CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000592331188 342685322 /nfs/dbraw/zinc/68/53/22/342685322.db2.gz NTIVKHFBWWTTGR-UHFFFAOYSA-N 1 0 263.297 1.548 20 5 CDBDRO CC(C)c1[nH]nc(-c2nc([C@H]3CCC[NH2+]3)no2)c1[N+](=O)[O-] ZINC000592357095 342688346 /nfs/dbraw/zinc/68/83/46/342688346.db2.gz TXAWXUDNRNQIJO-SSDOTTSWSA-N 1 0 292.299 1.916 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592475257 342699004 /nfs/dbraw/zinc/69/90/04/342699004.db2.gz FRYNSPYUUYWZNA-RISCZKNCSA-N 1 0 295.339 1.022 20 5 CDBDRO C[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000156882509 342169443 /nfs/dbraw/zinc/16/94/43/342169443.db2.gz LUBADUJURWBSGP-BDAKNGLRSA-N 1 0 251.286 1.194 20 5 CDBDRO COC[C@H]1C[C@@H](O)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000593066278 342761806 /nfs/dbraw/zinc/76/18/06/342761806.db2.gz KBUXZRJGXCSVAW-CHWSQXEVSA-N 1 0 296.323 1.055 20 5 CDBDRO C[C@H](CCO)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000593110334 342769727 /nfs/dbraw/zinc/76/97/27/342769727.db2.gz UYPZSKHIQAUUPT-LLVKDONJSA-N 1 0 268.313 1.676 20 5 CDBDRO Cc1cnn([C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000290038233 361981693 /nfs/dbraw/zinc/98/16/93/361981693.db2.gz WHKWUWWQFHYDPH-GFCCVEGCSA-N 1 0 290.327 1.243 20 5 CDBDRO CC(C)Oc1nc(N[C@@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000593930876 342852894 /nfs/dbraw/zinc/85/28/94/342852894.db2.gz GDWLJYCXDQGTLY-WDEREUQCSA-N 1 0 294.355 1.881 20 5 CDBDRO C[NH2+]C1(CNC(=O)c2csc([N+](=O)[O-])c2)CCC1 ZINC000600826078 342251832 /nfs/dbraw/zinc/25/18/32/342251832.db2.gz XNDBRNOPDSWKPK-UHFFFAOYSA-N 1 0 269.326 1.528 20 5 CDBDRO Cc1nc(NCC2([NH3+])CCCC2)ccc1[N+](=O)[O-] ZINC000594692184 342942203 /nfs/dbraw/zinc/94/22/03/342942203.db2.gz NTFJGPUDEDRJLW-UHFFFAOYSA-N 1 0 250.302 1.404 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH+](CC2CC2)CC1 ZINC000056336340 349710805 /nfs/dbraw/zinc/71/08/05/349710805.db2.gz HGQMGLMCKUQIFK-UHFFFAOYSA-N 1 0 278.312 1.091 20 5 CDBDRO COc1cc(CN[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000594951146 342982199 /nfs/dbraw/zinc/98/21/99/342982199.db2.gz BORWJFQLHRHEEL-JTQLQIEISA-N 1 0 297.355 1.652 20 5 CDBDRO Cc1cc(NC[C@@H](C)CN2CCOCC2)ncc1[N+](=O)[O-] ZINC000074765005 342304018 /nfs/dbraw/zinc/30/40/18/342304018.db2.gz YDCNSKMOIJJBCC-LLVKDONJSA-N 1 0 294.355 1.678 20 5 CDBDRO O=C(NCC[NH+]1CCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342914699 362014914 /nfs/dbraw/zinc/01/49/14/362014914.db2.gz ZQJQWHBXAOGFFX-UHFFFAOYSA-N 1 0 288.307 1.512 20 5 CDBDRO CO[C@H]1COC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000290116522 362106959 /nfs/dbraw/zinc/10/69/59/362106959.db2.gz KHEPRKVWJDXXQP-AAEUAGOBSA-N 1 0 266.297 1.407 20 5 CDBDRO COc1cc(Cn2ccnc2C[NH3+])c([N+](=O)[O-])cc1F ZINC000600966011 342354179 /nfs/dbraw/zinc/35/41/79/342354179.db2.gz FJBWXDKLYFAHER-UHFFFAOYSA-N 1 0 280.259 1.446 20 5 CDBDRO CNc1ccc(C(=O)N(C)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000595945026 343205256 /nfs/dbraw/zinc/20/52/56/343205256.db2.gz MPBFPMRSUVKIFI-UHFFFAOYSA-N 1 0 280.328 1.446 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000595983083 343211046 /nfs/dbraw/zinc/21/10/46/343211046.db2.gz NOJJWKRXVPMAAG-ZETCQYMHSA-N 1 0 271.704 1.586 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000595984479 343211566 /nfs/dbraw/zinc/21/15/66/343211566.db2.gz URLUOXSNGZTMFQ-VIFPVBQESA-N 1 0 265.313 1.170 20 5 CDBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596162996 343256721 /nfs/dbraw/zinc/25/67/21/343256721.db2.gz PXSVGXSYQJZISR-LLVKDONJSA-N 1 0 293.371 1.384 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC[C@H]21 ZINC000596170207 343258712 /nfs/dbraw/zinc/25/87/12/343258712.db2.gz XYTXTHKKQFDEOK-WDEREUQCSA-N 1 0 292.339 1.616 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000596436706 343321320 /nfs/dbraw/zinc/32/13/20/343321320.db2.gz PBDQHVCNGFDNCV-LLVKDONJSA-N 1 0 294.355 1.490 20 5 CDBDRO CC[C@H](O)C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000291817799 529708393 /nfs/dbraw/zinc/70/83/93/529708393.db2.gz YXRVLIDKACNVHR-VIFPVBQESA-N 1 0 270.285 1.170 20 5 CDBDRO CC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000341015431 365745337 /nfs/dbraw/zinc/74/53/37/365745337.db2.gz QRZZXBTYEQGOBX-AAEUAGOBSA-N 1 0 250.298 1.798 20 5 CDBDRO C[C@]1(NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000597431901 343535532 /nfs/dbraw/zinc/53/55/32/343535532.db2.gz IAFPCTGQZMMFDR-AWEZNQCLSA-N 1 0 292.339 1.189 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H](C)[NH+](C)C)c1 ZINC000597993375 343683306 /nfs/dbraw/zinc/68/33/06/343683306.db2.gz SKYPDYQKLITGGP-LLVKDONJSA-N 1 0 279.340 1.973 20 5 CDBDRO C[C@@H](CCNc1ncc([N+](=O)[O-])c(N)n1)[NH+]1CCCCC1 ZINC000273173457 192065903 /nfs/dbraw/zinc/06/59/03/192065903.db2.gz PCVFXOZBHYECEG-JTQLQIEISA-N 1 0 294.359 1.643 20 5 CDBDRO [NH3+][C@]12CCC[C@H]1CN(CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000598682044 343864199 /nfs/dbraw/zinc/86/41/99/343864199.db2.gz KXTCYEBMRPEAFI-WFASDCNBSA-N 1 0 291.351 1.787 20 5 CDBDRO [NH3+][C@@]12CCC[C@H]1CN(CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000598682043 343864430 /nfs/dbraw/zinc/86/44/30/343864430.db2.gz KXTCYEBMRPEAFI-SWLSCSKDSA-N 1 0 291.351 1.787 20 5 CDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1csc([N+](=O)[O-])c1)C2 ZINC000598669652 343872377 /nfs/dbraw/zinc/87/23/77/343872377.db2.gz LNVMBYDLMZWLSF-BXKDBHETSA-N 1 0 281.337 1.610 20 5 CDBDRO CCC(CC)[NH2+]CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000599097158 343953636 /nfs/dbraw/zinc/95/36/36/343953636.db2.gz HCMNUNCNFMVGMJ-UHFFFAOYSA-N 1 0 268.317 1.886 20 5 CDBDRO O=[N+]([O-])c1ccccc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599175644 343965574 /nfs/dbraw/zinc/96/55/74/343965574.db2.gz GEQLBHUVSYFOIL-SNVBAGLBSA-N 1 0 251.286 1.073 20 5 CDBDRO Cc1cc(NC(=O)N(C)CCOCC[NH3+])ccc1[N+](=O)[O-] ZINC000599609865 344094382 /nfs/dbraw/zinc/09/43/82/344094382.db2.gz CEHLKASSYJYXAD-UHFFFAOYSA-N 1 0 296.327 1.342 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CO[C@@H](C)C1 ZINC000402066456 344175305 /nfs/dbraw/zinc/17/53/05/344175305.db2.gz WNDLCRYLWNHBBU-GXSJLCMTSA-N 1 0 266.297 1.870 20 5 CDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCC[NH2+]CC1 ZINC000210683509 344177504 /nfs/dbraw/zinc/17/75/04/344177504.db2.gz XPVYAFILUMDKKH-WAYWQWQTSA-N 1 0 275.308 1.430 20 5 CDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cn[nH]c1 ZINC000085826318 344158340 /nfs/dbraw/zinc/15/83/40/344158340.db2.gz JUPOTLRDSADQNG-UHFFFAOYSA-N 1 0 276.296 1.829 20 5 CDBDRO Cc1cc(NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000601566508 344192769 /nfs/dbraw/zinc/19/27/69/344192769.db2.gz RUMDBCLATMUPJU-TXEJJXNPSA-N 1 0 290.323 1.871 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c(F)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000601617176 344203691 /nfs/dbraw/zinc/20/36/91/344203691.db2.gz IFXFRAYYQKYITQ-SKDRFNHKSA-N 1 0 293.298 1.510 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601972149 344300285 /nfs/dbraw/zinc/30/02/85/344300285.db2.gz DPOZNRONBZLEOM-ABAIWWIYSA-N 1 0 289.335 1.775 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602598108 344503620 /nfs/dbraw/zinc/50/36/20/344503620.db2.gz BFVSZAIPCIHWTM-CBAPKCEASA-N 1 0 281.699 1.435 20 5 CDBDRO COc1ccc(C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000602598968 344503925 /nfs/dbraw/zinc/50/39/25/344503925.db2.gz MJBIZJICFDCAOP-WPRPVWTQSA-N 1 0 279.296 1.165 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602481437 344447538 /nfs/dbraw/zinc/44/75/38/344447538.db2.gz KESGYZFTKQKJKC-IUCAKERBSA-N 1 0 281.287 1.543 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602601424 344505921 /nfs/dbraw/zinc/50/59/21/344505921.db2.gz LPKSBXBMWTVLGE-ONGXEEELSA-N 1 0 261.281 1.090 20 5 CDBDRO O=C1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCCN1 ZINC000602539800 344472745 /nfs/dbraw/zinc/47/27/45/344472745.db2.gz KXLUGHOQIRCRBG-LLVKDONJSA-N 1 0 293.323 1.232 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602592431 344481052 /nfs/dbraw/zinc/48/10/52/344481052.db2.gz RBOZUFAWVMXVPV-PHIMTYICSA-N 1 0 261.281 1.171 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@]2(CCO)CCOC2)cc1 ZINC000602638051 344511094 /nfs/dbraw/zinc/51/10/94/344511094.db2.gz QXCTWYUYAPWFAP-CQSZACIVSA-N 1 0 280.324 1.268 20 5 CDBDRO Cc1c(CN2CC[N@@H+](C)C[C@H]2CO)cccc1[N+](=O)[O-] ZINC000602714921 344554509 /nfs/dbraw/zinc/55/45/09/344554509.db2.gz KIJHKHFYTKSONO-ZDUSSCGKSA-N 1 0 279.340 1.012 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCS[C@H](C)[C@H]1C ZINC000602780781 344596559 /nfs/dbraw/zinc/59/65/59/344596559.db2.gz LRRNTNBFVCHLHI-NXEZZACHSA-N 1 0 284.385 1.926 20 5 CDBDRO CO[C@H]1C[C@@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])C12CCC2 ZINC000602842402 344622191 /nfs/dbraw/zinc/62/21/91/344622191.db2.gz XOLUDPRZAFPRJA-NEPJUHHUSA-N 1 0 294.355 1.647 20 5 CDBDRO [NH3+]CCCCc1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000603204334 344735246 /nfs/dbraw/zinc/73/52/46/344735246.db2.gz VHRSDFCAENCZIA-UHFFFAOYSA-N 1 0 293.302 1.655 20 5 CDBDRO C[C@@H]1CC[C@H](C[NH3+])N(CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000603435294 344808691 /nfs/dbraw/zinc/80/86/91/344808691.db2.gz XKEZBDAXEIRVIN-GRYCIOLGSA-N 1 0 281.360 1.239 20 5 CDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@H](C)O ZINC000305112620 349920333 /nfs/dbraw/zinc/92/03/33/349920333.db2.gz GQBLRLRQJXFCIR-MNOVXSKESA-N 1 0 295.339 1.672 20 5 CDBDRO [NH3+][C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000129243562 362546601 /nfs/dbraw/zinc/54/66/01/362546601.db2.gz AXDQATNEJIPVPU-NSHDSACASA-N 1 0 264.285 1.454 20 5 CDBDRO CN(CC(N)=O)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293510025 362571441 /nfs/dbraw/zinc/57/14/41/362571441.db2.gz OGKWCISHFBVADC-UHFFFAOYSA-N 1 0 291.229 1.531 20 5 CDBDRO CN1CC[C@@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000265674637 362571586 /nfs/dbraw/zinc/57/15/86/362571586.db2.gz YXBCALUAMIKYKU-CYBMUJFWSA-N 1 0 277.324 1.300 20 5 CDBDRO [NH3+][C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000129232286 345274310 /nfs/dbraw/zinc/27/43/10/345274310.db2.gz XDSHYPLQIDUSFX-VIFPVBQESA-N 1 0 283.715 1.715 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000129249768 345278211 /nfs/dbraw/zinc/27/82/11/345278211.db2.gz ZBRYQAWCTBZTDZ-GHMZBOCLSA-N 1 0 277.324 1.855 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000230733150 345441087 /nfs/dbraw/zinc/44/10/87/345441087.db2.gz SNXNRRHAVBFOLE-ZDUSSCGKSA-N 1 0 263.297 1.385 20 5 CDBDRO COc1ccc(C(=O)N[C@](C)(C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000127458089 187307394 /nfs/dbraw/zinc/30/73/94/187307394.db2.gz RQGWHVVWBSJCNE-CQSZACIVSA-N 1 0 295.339 1.707 20 5 CDBDRO C[N@H+](CCOCCO)Cc1cccc([N+](=O)[O-])c1 ZINC000265845664 362622176 /nfs/dbraw/zinc/62/21/76/362622176.db2.gz UEACBQBOJDVFLC-UHFFFAOYSA-N 1 0 254.286 1.036 20 5 CDBDRO [NH3+]C[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000087383624 345695481 /nfs/dbraw/zinc/69/54/81/345695481.db2.gz QOOYIIUUZVSROJ-VIFPVBQESA-N 1 0 283.715 1.715 20 5 CDBDRO Cc1nc(N2CC[NH+](C(C)(C)CO)CC2)ccc1[N+](=O)[O-] ZINC000610755094 346393628 /nfs/dbraw/zinc/39/36/28/346393628.db2.gz DRSLWTDJKBSGBA-UHFFFAOYSA-N 1 0 294.355 1.191 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000068473154 347565012 /nfs/dbraw/zinc/56/50/12/347565012.db2.gz OZBVEYMXVCORDO-MRVPVSSYSA-N 1 0 271.342 1.726 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2ncn(C[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000122452554 347647906 /nfs/dbraw/zinc/64/79/06/347647906.db2.gz LOJMVIYWAYQXSP-SNVBAGLBSA-N 1 0 273.296 1.463 20 5 CDBDRO CC[NH2+]Cc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000090296193 347650989 /nfs/dbraw/zinc/65/09/89/347650989.db2.gz YXNAXAIYFNQGSZ-UHFFFAOYSA-N 1 0 261.285 1.344 20 5 CDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000273308607 192107498 /nfs/dbraw/zinc/10/74/98/192107498.db2.gz IFMGZWGBZJDNRI-RYUDHWBXSA-N 1 0 296.323 1.055 20 5 CDBDRO CC1(C)C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000618952209 348174381 /nfs/dbraw/zinc/17/43/81/348174381.db2.gz YVMLBCDSGDNWKH-LLVKDONJSA-N 1 0 280.324 1.676 20 5 CDBDRO C[NH+](C)CCn1cc(Nc2ncccc2[N+](=O)[O-])cn1 ZINC000057854504 348848996 /nfs/dbraw/zinc/84/89/96/348848996.db2.gz BCFPOWLOFXVUEJ-UHFFFAOYSA-N 1 0 276.300 1.492 20 5 CDBDRO CNC(=O)CCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293712477 362933494 /nfs/dbraw/zinc/93/34/94/362933494.db2.gz MAGRKIOUSATTRL-SECBINFHSA-N 1 0 280.328 1.354 20 5 CDBDRO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000067703044 349033334 /nfs/dbraw/zinc/03/33/34/349033334.db2.gz OHNPBOKZNGCQPA-LLVKDONJSA-N 1 0 289.335 1.870 20 5 CDBDRO Cc1cc(NC[C@@H]2CC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC000092026788 180308265 /nfs/dbraw/zinc/30/82/65/180308265.db2.gz PXEHUHUFVRDUKS-JTQLQIEISA-N 1 0 250.302 1.662 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000076269209 350540864 /nfs/dbraw/zinc/54/08/64/350540864.db2.gz JSANRRBRQQZLEZ-VIFPVBQESA-N 1 0 280.332 1.109 20 5 CDBDRO CSCC[C@@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174868624 365978934 /nfs/dbraw/zinc/97/89/34/365978934.db2.gz FKAUJOKTGIUDMW-SNVBAGLBSA-N 1 0 272.374 1.865 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000109849796 186277385 /nfs/dbraw/zinc/27/73/85/186277385.db2.gz HGCWXQDSEJZJPE-NSHDSACASA-N 1 0 293.323 1.042 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000067863581 351005097 /nfs/dbraw/zinc/00/50/97/351005097.db2.gz AQNVYPMYEGFVLX-QMMMGPOBSA-N 1 0 265.269 1.154 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@H]2COCC[NH2+]2)c2ccncc21 ZINC000236422154 363171304 /nfs/dbraw/zinc/17/13/04/363171304.db2.gz OJECVEZUHUSHKB-JTQLQIEISA-N 1 0 288.307 1.543 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000156286847 188253343 /nfs/dbraw/zinc/25/33/43/188253343.db2.gz UOTHNAIVLUVPCD-VHSXEESVSA-N 1 0 292.339 1.376 20 5 CDBDRO COc1cc(C(=O)N2CCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000156739674 188278762 /nfs/dbraw/zinc/27/87/62/188278762.db2.gz NIWBNPFKBPFGNO-SNVBAGLBSA-N 1 0 279.296 1.167 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000295188825 199396266 /nfs/dbraw/zinc/39/62/66/199396266.db2.gz IOQFLQUOEKRUEK-MRVPVSSYSA-N 1 0 283.353 1.784 20 5 CDBDRO CC(C)([NH3+])CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000236601660 363269590 /nfs/dbraw/zinc/26/95/90/363269590.db2.gz ZSEAYODDTSGJNG-UHFFFAOYSA-N 1 0 265.313 1.381 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)[NH3+] ZINC000063170072 363278288 /nfs/dbraw/zinc/27/82/88/363278288.db2.gz OXVRDFITIIANMX-SECBINFHSA-N 1 0 251.286 1.370 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000063193381 363382889 /nfs/dbraw/zinc/38/28/89/363382889.db2.gz JKHTZRVZCKMOGF-BDAKNGLRSA-N 1 0 283.353 1.998 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001579459671 1172186186 /nfs/dbraw/zinc/18/61/86/1172186186.db2.gz PEXODNYGXPROEH-SFYZADRCSA-N 1 0 299.277 1.458 20 5 CDBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332613694 356043559 /nfs/dbraw/zinc/04/35/59/356043559.db2.gz DRSRRWOCJCBWNC-ZJUUUORDSA-N 1 0 268.317 1.064 20 5 CDBDRO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@@H+]1C ZINC000577811669 356050127 /nfs/dbraw/zinc/05/01/27/356050127.db2.gz CNXBWBJHSMMPSH-CYBMUJFWSA-N 1 0 294.355 1.346 20 5 CDBDRO CCc1nn(C)c(N[C@@H](C)CCCC[NH3+])c1[N+](=O)[O-] ZINC000336815891 356281584 /nfs/dbraw/zinc/28/15/84/356281584.db2.gz JNTYZVGZQDMOTC-VIFPVBQESA-N 1 0 269.349 1.820 20 5 CDBDRO C[C@@H](CCCC[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000336819326 356284531 /nfs/dbraw/zinc/28/45/31/356284531.db2.gz ZGYORCZOJWTHEH-JTQLQIEISA-N 1 0 265.313 1.842 20 5 CDBDRO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000048335819 357178394 /nfs/dbraw/zinc/17/83/94/357178394.db2.gz YWFKRWYKWFEZKW-SNVBAGLBSA-N 1 0 266.297 1.836 20 5 CDBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000261911813 357341420 /nfs/dbraw/zinc/34/14/20/357341420.db2.gz ZTXMSWJAUGWALT-QMMMGPOBSA-N 1 0 292.295 1.804 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000261973309 357349476 /nfs/dbraw/zinc/34/94/76/357349476.db2.gz NLQZVLPOOIWZOH-WDEREUQCSA-N 1 0 292.339 1.202 20 5 CDBDRO C[C@H](CNc1c([N+](=O)[O-])ncn1C)C[NH+]1CCCC1 ZINC000107832601 357366847 /nfs/dbraw/zinc/36/68/47/357366847.db2.gz KQQUYCHISFLIQD-SNVBAGLBSA-N 1 0 267.333 1.472 20 5 CDBDRO CC(C)[N@H+](CCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182174642 357415315 /nfs/dbraw/zinc/41/53/15/357415315.db2.gz BJCCSMUEYUCCFZ-GFCCVEGCSA-N 1 0 298.339 1.037 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000264639574 357581488 /nfs/dbraw/zinc/58/14/88/357581488.db2.gz QDNBUCRMVWQSPE-LLVKDONJSA-N 1 0 292.339 1.075 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000186869958 357700568 /nfs/dbraw/zinc/70/05/68/357700568.db2.gz QUAQQORBGLVFII-VKNKMKLNSA-N 1 0 289.335 1.722 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135241630 357802320 /nfs/dbraw/zinc/80/23/20/357802320.db2.gz CWNHINIQKSHMGY-GFCCVEGCSA-N 1 0 263.297 1.087 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ncccc1[N+](=O)[O-] ZINC000408068336 357803591 /nfs/dbraw/zinc/80/35/91/357803591.db2.gz TWSBIOMFILGDTR-NXEZZACHSA-N 1 0 250.302 1.519 20 5 CDBDRO CC[NH+](CC)CCCn1ccc(=O)c([N+](=O)[O-])c1 ZINC000188320603 357879270 /nfs/dbraw/zinc/87/92/70/357879270.db2.gz QUGYQMHAWGAESY-UHFFFAOYSA-N 1 0 253.302 1.488 20 5 CDBDRO Cc1nc(NCC[N@@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000188491769 357903525 /nfs/dbraw/zinc/90/35/25/357903525.db2.gz PISDUBWUULQIMR-UHFFFAOYSA-N 1 0 280.328 1.432 20 5 CDBDRO C[C@H](O)C[NH+]1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000189333512 357997361 /nfs/dbraw/zinc/99/73/61/357997361.db2.gz JUOFEPWEAAMXKT-ZDUSSCGKSA-N 1 0 293.367 1.136 20 5 CDBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000189543737 358023278 /nfs/dbraw/zinc/02/32/78/358023278.db2.gz ZVEBGXDEZJUREW-CHWSQXEVSA-N 1 0 293.367 1.482 20 5 CDBDRO COc1cc(C(=O)NC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000294567778 199090209 /nfs/dbraw/zinc/09/02/09/199090209.db2.gz ZTZDYMUAWRWWSZ-MRVPVSSYSA-N 1 0 299.302 1.422 20 5 CDBDRO C[NH+](C)Cc1ccnc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c1 ZINC000287505194 358669706 /nfs/dbraw/zinc/66/97/06/358669706.db2.gz NYOHQBQPPBSLHP-UHFFFAOYSA-N 1 0 290.283 1.027 20 5 CDBDRO COCC[NH+](CCOC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051372005 358677349 /nfs/dbraw/zinc/67/73/49/358677349.db2.gz RMSFRZKMCBLLTK-UHFFFAOYSA-N 1 0 298.339 1.698 20 5 CDBDRO COCC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176242472 358745804 /nfs/dbraw/zinc/74/58/04/358745804.db2.gz URGKRPYCZPNQOG-UHFFFAOYSA-N 1 0 268.317 1.150 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000186789229 358823688 /nfs/dbraw/zinc/82/36/88/358823688.db2.gz WSAVPGAZPGZNJW-APPZFPTMSA-N 1 0 269.326 1.384 20 5 CDBDRO CC(C)(CC(N)=O)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000186222634 358792000 /nfs/dbraw/zinc/79/20/00/358792000.db2.gz KFWSCXVNGXQMSS-UHFFFAOYSA-N 1 0 281.312 1.217 20 5 CDBDRO C[C@@H]1CSC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000352815995 358940820 /nfs/dbraw/zinc/94/08/20/358940820.db2.gz MZCXEUSJFQIFDW-KOLCDFICSA-N 1 0 295.364 1.874 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000267213448 359026116 /nfs/dbraw/zinc/02/61/16/359026116.db2.gz CAHMPQAVYXYYRB-NXEZZACHSA-N 1 0 267.333 1.613 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cnnn1C ZINC000342290110 358988532 /nfs/dbraw/zinc/98/85/32/358988532.db2.gz VGSTZRJDMIKMMN-IZZDOVSWSA-N 1 0 287.323 1.916 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000150845057 359067735 /nfs/dbraw/zinc/06/77/35/359067735.db2.gz GCVOHSOLDGWAMV-GHMZBOCLSA-N 1 0 275.308 1.611 20 5 CDBDRO CC1(C)C[C@@H](O)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000451804163 359082988 /nfs/dbraw/zinc/08/29/88/359082988.db2.gz RUIIUTJVZCYYQP-NSHDSACASA-N 1 0 282.344 1.274 20 5 CDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000342460252 359057558 /nfs/dbraw/zinc/05/75/58/359057558.db2.gz DXUXMVRYSZGNMI-ONGXEEELSA-N 1 0 292.339 1.146 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000045748916 359169645 /nfs/dbraw/zinc/16/96/45/359169645.db2.gz MZIUSQMKPPFCLT-UHFFFAOYSA-N 1 0 278.308 1.934 20 5 CDBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCC2)c2nonc21 ZINC000048322196 359198851 /nfs/dbraw/zinc/19/88/51/359198851.db2.gz QRWLQVHLFXKUBM-UHFFFAOYSA-N 1 0 277.284 1.639 20 5 CDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000127774827 359336328 /nfs/dbraw/zinc/33/63/28/359336328.db2.gz RPXIQCSTHKWHMQ-JTQLQIEISA-N 1 0 282.344 1.379 20 5 CDBDRO COc1cc(N2CC[C@H]([NH3+])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000094342478 147085144 /nfs/dbraw/zinc/08/51/44/147085144.db2.gz ZLBHMWRJAYSOAJ-KOLCDFICSA-N 1 0 265.313 1.777 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000571356032 359569915 /nfs/dbraw/zinc/56/99/15/359569915.db2.gz MYQNILBAMFEFDW-ZDUSSCGKSA-N 1 0 291.351 1.690 20 5 CDBDRO CCOC(=O)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296766989 359581905 /nfs/dbraw/zinc/58/19/05/359581905.db2.gz RAWGGQOGXSAEJG-HZMBPMFUSA-N 1 0 296.323 1.560 20 5 CDBDRO CC(C)[C@@](C)([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000297674427 200258802 /nfs/dbraw/zinc/25/88/02/200258802.db2.gz OUOKOKZRAPHRSN-TZMCWYRMSA-N 1 0 295.339 1.118 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000362681014 359964894 /nfs/dbraw/zinc/96/48/94/359964894.db2.gz LZMSYYPCQZGCIY-RKDXNWHRSA-N 1 0 253.306 1.223 20 5 CDBDRO CC[C@H](CO)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298109376 200335861 /nfs/dbraw/zinc/33/58/61/200335861.db2.gz JMIMJPXFVQNNOX-LLVKDONJSA-N 1 0 295.339 1.626 20 5 CDBDRO Cc1cc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ncc1[N+](=O)[O-] ZINC000073000485 360074562 /nfs/dbraw/zinc/07/45/62/360074562.db2.gz JLROGEZBNFISDW-NEPJUHHUSA-N 1 0 292.339 1.573 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)CC[NH2+]1 ZINC000235392528 360081709 /nfs/dbraw/zinc/08/17/09/360081709.db2.gz VSDZOPGJDFAXRV-SFYZADRCSA-N 1 0 253.258 1.058 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000063020071 360116312 /nfs/dbraw/zinc/11/63/12/360116312.db2.gz OIMGDOGZRULLNA-UHFFFAOYSA-N 1 0 255.249 1.201 20 5 CDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000162148711 363721584 /nfs/dbraw/zinc/72/15/84/363721584.db2.gz SVWVXLNXXOYKHW-ZDUSSCGKSA-N 1 0 296.327 1.029 20 5 CDBDRO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178207325 189097539 /nfs/dbraw/zinc/09/75/39/189097539.db2.gz LPOOOLTVCIACIZ-GFCCVEGCSA-N 1 0 293.323 1.548 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000235685499 360606216 /nfs/dbraw/zinc/60/62/16/360606216.db2.gz QBMQVABZYAJVMS-IUCAKERBSA-N 1 0 281.287 1.604 20 5 CDBDRO CCCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000178929674 189155599 /nfs/dbraw/zinc/15/55/99/189155599.db2.gz AHQIJZIEQYHIOK-LLVKDONJSA-N 1 0 292.339 1.391 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000179194011 189176277 /nfs/dbraw/zinc/17/62/77/189176277.db2.gz RXRUPTCFOCHVID-MRVPVSSYSA-N 1 0 285.731 1.596 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000229822639 360929957 /nfs/dbraw/zinc/92/99/57/360929957.db2.gz NBBHHFXVPZWQLO-SREVYHEPSA-N 1 0 289.335 1.772 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000162948465 360949805 /nfs/dbraw/zinc/94/98/05/360949805.db2.gz AHRHDHBPKQEZJN-JTQLQIEISA-N 1 0 297.359 1.160 20 5 CDBDRO O=c1ccn(CC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000130902260 361019073 /nfs/dbraw/zinc/01/90/73/361019073.db2.gz WUSOLGHNXWMXND-UHFFFAOYSA-N 1 0 251.286 1.242 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000053202156 361203701 /nfs/dbraw/zinc/20/37/01/361203701.db2.gz ZJZRNORNTDVDSO-GFCCVEGCSA-N 1 0 277.324 1.727 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000053202045 361204159 /nfs/dbraw/zinc/20/41/59/361204159.db2.gz KXZDRMBBLSNGDD-NSHDSACASA-N 1 0 277.324 1.727 20 5 CDBDRO Cc1cccc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000070075674 361237494 /nfs/dbraw/zinc/23/74/94/361237494.db2.gz VJTNJCCIUBNASN-QWRGUYRKSA-N 1 0 277.324 1.726 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCO)C1CC1 ZINC000151717662 361680366 /nfs/dbraw/zinc/68/03/66/361680366.db2.gz AZZRLYMPXLUDFJ-ZDUSSCGKSA-N 1 0 264.325 1.888 20 5 CDBDRO C[C@H](CNc1c(F)cccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000287690767 239154536 /nfs/dbraw/zinc/15/45/36/239154536.db2.gz DNBBFBXZQPIYDF-LLVKDONJSA-N 1 0 296.346 1.782 20 5 CDBDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)O ZINC000580431703 363907808 /nfs/dbraw/zinc/90/78/08/363907808.db2.gz XWSWZVUGYRBFFQ-UTUOFQBUSA-N 1 0 298.339 1.084 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH3+])CC1 ZINC000237189796 364190634 /nfs/dbraw/zinc/19/06/34/364190634.db2.gz BPYFULGUXRKBNK-UHFFFAOYSA-N 1 0 279.296 1.167 20 5 CDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1C[C@H]([NH3+])C1 ZINC001579992203 1172316906 /nfs/dbraw/zinc/31/69/06/1172316906.db2.gz FIVVUNOGRAQENB-IZLXSQMJSA-N 1 0 293.249 1.496 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000237191173 364261744 /nfs/dbraw/zinc/26/17/44/364261744.db2.gz GFRZVLIXZLAZOP-NSHDSACASA-N 1 0 279.296 1.071 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CO)[C@H]2CCCO2)cc1 ZINC000447912437 364574469 /nfs/dbraw/zinc/57/44/69/364574469.db2.gz KAGNLYYURCRUQM-ZIAGYGMSSA-N 1 0 280.324 1.267 20 5 CDBDRO COc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000340936956 364877141 /nfs/dbraw/zinc/87/71/41/364877141.db2.gz UMZSJUCIVSUOCR-GXSJLCMTSA-N 1 0 266.297 1.559 20 5 CDBDRO C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1O ZINC000249583670 364924912 /nfs/dbraw/zinc/92/49/12/364924912.db2.gz SDEQPUQBKKYZFI-TVQRCGJNSA-N 1 0 268.288 1.937 20 5 CDBDRO Nc1c(C(=O)NC[C@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000130488060 367021147 /nfs/dbraw/zinc/02/11/47/367021147.db2.gz XLSFMBHLEPQRMC-SECBINFHSA-N 1 0 278.312 1.049 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCC[C@H]2OC(F)F)c1 ZINC000348522616 367456950 /nfs/dbraw/zinc/45/69/50/367456950.db2.gz YMNOBZPLBBBEGD-VHSXEESVSA-N 1 0 290.270 1.541 20 5 CDBDRO C[C@@H](NC(=O)N[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000417145752 242336349 /nfs/dbraw/zinc/33/63/49/242336349.db2.gz XLPGQOLSOVIGTA-ZYHUDNBSSA-N 1 0 292.339 1.707 20 5 CDBDRO C[NH+](C)CCO[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000352053598 367679603 /nfs/dbraw/zinc/67/96/03/367679603.db2.gz UUYQCHSTMVEGLB-LBPRGKRZSA-N 1 0 297.330 1.891 20 5 CDBDRO CC(C)c1ccc(C[NH2+]C[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000330453484 367776927 /nfs/dbraw/zinc/77/69/27/367776927.db2.gz LOFVSDVAADVVOD-HNNXBMFYSA-N 1 0 294.351 1.959 20 5 CDBDRO [NH3+]C1(CC(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)CC1 ZINC001580144164 1172360978 /nfs/dbraw/zinc/36/09/78/1172360978.db2.gz MEBQNAYMWISBPP-UHFFFAOYSA-N 1 0 285.250 1.371 20 5 CDBDRO COc1ccc(CN2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000330617370 203045840 /nfs/dbraw/zinc/04/58/40/203045840.db2.gz WLHAINLATCFZGB-LLVKDONJSA-N 1 0 279.340 1.739 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000089106351 368973484 /nfs/dbraw/zinc/97/34/84/368973484.db2.gz JOLKAQCAYSTMQW-WCBMZHEXSA-N 1 0 283.353 1.904 20 5 CDBDRO COC(=O)c1cnc(N[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420234852 243957087 /nfs/dbraw/zinc/95/70/87/243957087.db2.gz HTLKUKPSCXPENQ-ZJUUUORDSA-N 1 0 294.311 1.458 20 5 CDBDRO Cc1nc(NCCC[C@H]2CCC[NH2+]2)ncc1[N+](=O)[O-] ZINC000420294410 244039564 /nfs/dbraw/zinc/03/95/64/244039564.db2.gz ZFSUTFFEPHOJBB-SNVBAGLBSA-N 1 0 265.317 1.059 20 5 CDBDRO CN(C)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000330708352 203141046 /nfs/dbraw/zinc/14/10/46/203141046.db2.gz VOUFVGOPBDXBIA-RYUDHWBXSA-N 1 0 281.360 1.426 20 5 CDBDRO Cc1n[nH]c(C(=O)N2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000330761525 203202158 /nfs/dbraw/zinc/20/21/58/203202158.db2.gz HDKXLFCGUGIAQW-UHFFFAOYSA-N 1 0 295.343 1.040 20 5 CDBDRO C[NH+]1CCC(CNc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420582816 244266573 /nfs/dbraw/zinc/26/65/73/244266573.db2.gz JNQCKIOQBWFXIV-UHFFFAOYSA-N 1 0 292.339 1.447 20 5 CDBDRO Cc1c(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000168698024 370969472 /nfs/dbraw/zinc/96/94/72/370969472.db2.gz CQJJFRGFXGRACW-QWRGUYRKSA-N 1 0 277.324 1.713 20 5 CDBDRO CCN(CCC[NH+](CC)CC)c1ncc([N+](=O)[O-])c(N)n1 ZINC000276279999 193268861 /nfs/dbraw/zinc/26/88/61/193268861.db2.gz WLZMREJXMTVNLK-UHFFFAOYSA-N 1 0 296.375 1.525 20 5 CDBDRO CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000295216579 369674558 /nfs/dbraw/zinc/67/45/58/369674558.db2.gz MGYRTLRLPUWIFE-UHFFFAOYSA-N 1 0 283.715 1.810 20 5 CDBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668490 369784067 /nfs/dbraw/zinc/78/40/67/369784067.db2.gz TZCLLLGUSFWXGE-SKDRFNHKSA-N 1 0 265.313 1.584 20 5 CDBDRO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668493 369784660 /nfs/dbraw/zinc/78/46/60/369784660.db2.gz TZCLLLGUSFWXGE-JOYOIKCWSA-N 1 0 265.313 1.584 20 5 CDBDRO C[NH+](C)[C@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000170863488 369978524 /nfs/dbraw/zinc/97/85/24/369978524.db2.gz ZXEHUPDTAAHANE-GWJCSSMESA-N 1 0 289.335 1.771 20 5 CDBDRO C[C@@H]1CO[C@@H](CO)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000129883882 370053531 /nfs/dbraw/zinc/05/35/31/370053531.db2.gz VRDSDJTWLFHSSF-BXUZGUMPSA-N 1 0 280.324 1.219 20 5 CDBDRO CC(C)[N@H+](C)CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266145350 370349962 /nfs/dbraw/zinc/34/99/62/370349962.db2.gz MGBHLHCXVODAJB-UHFFFAOYSA-N 1 0 279.340 1.594 20 5 CDBDRO COc1cc(CNC[C@H]([NH3+])C2CC2)c([N+](=O)[O-])cc1OC ZINC000414901503 371072409 /nfs/dbraw/zinc/07/24/09/371072409.db2.gz XCOLAZLRBOHJLB-NSHDSACASA-N 1 0 295.339 1.439 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000422877593 245364785 /nfs/dbraw/zinc/36/47/85/245364785.db2.gz IEBIVCJBRYMVLD-UHFFFAOYSA-N 1 0 280.328 1.424 20 5 CDBDRO Cc1c(C(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000185123992 291519634 /nfs/dbraw/zinc/51/96/34/291519634.db2.gz IVQNYPOOGAOARB-RAIGVLPGSA-N 1 0 289.335 1.713 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000543356713 372217856 /nfs/dbraw/zinc/21/78/56/372217856.db2.gz RCOODHIFROKFEO-SNVBAGLBSA-N 1 0 293.323 1.171 20 5 CDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000266378123 372778557 /nfs/dbraw/zinc/77/85/57/372778557.db2.gz HRNWJPJJNRNCJY-JTQLQIEISA-N 1 0 295.343 1.040 20 5 CDBDRO C[C@H](O)C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000130722312 373480257 /nfs/dbraw/zinc/48/02/57/373480257.db2.gz IMULDOJRGPWTPR-ZRQQLDRUSA-N 1 0 250.298 1.921 20 5 CDBDRO CC[NH+](CC)CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000192820227 373644425 /nfs/dbraw/zinc/64/44/25/373644425.db2.gz JBOQUBYXNYYODP-UHFFFAOYSA-N 1 0 291.307 1.533 20 5 CDBDRO Cc1c(C(=O)NC[C@@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000441619920 373716358 /nfs/dbraw/zinc/71/63/58/373716358.db2.gz KMZCMKYPRRMTMQ-QMMMGPOBSA-N 1 0 251.286 1.228 20 5 CDBDRO Cc1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000266040384 373770061 /nfs/dbraw/zinc/77/00/61/373770061.db2.gz CJPSEFQAXFUPHG-WPRPVWTQSA-N 1 0 295.343 1.039 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)C[NH+](C)C ZINC000168998095 373852164 /nfs/dbraw/zinc/85/21/64/373852164.db2.gz PRDCIYXLBAHGOX-MRVPVSSYSA-N 1 0 255.322 1.482 20 5 CDBDRO C[C@H](c1ccccn1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000091704665 374140852 /nfs/dbraw/zinc/14/08/52/374140852.db2.gz MSMVYDDXFBEJKQ-LLVKDONJSA-N 1 0 275.312 1.879 20 5 CDBDRO COc1cc(C(=O)NC[C@H]([NH3+])C2CC2)cc([N+](=O)[O-])c1C ZINC000423476548 374383095 /nfs/dbraw/zinc/38/30/95/374383095.db2.gz KKQBOFSNIBOQJJ-NSHDSACASA-N 1 0 293.323 1.379 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](C3CCOCC3)C2)n1 ZINC000371076019 374407002 /nfs/dbraw/zinc/40/70/02/374407002.db2.gz STPRSCXIDVGVKR-ZDUSSCGKSA-N 1 0 294.355 1.540 20 5 CDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000356882708 374420204 /nfs/dbraw/zinc/42/02/04/374420204.db2.gz PTENCNJWVOAYHV-RYUDHWBXSA-N 1 0 291.351 1.688 20 5 CDBDRO C[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000081589434 374527895 /nfs/dbraw/zinc/52/78/95/374527895.db2.gz RGGSVWWUCYRUTR-SECBINFHSA-N 1 0 275.312 1.900 20 5 CDBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000347218975 374539832 /nfs/dbraw/zinc/53/98/32/374539832.db2.gz BFOWNTRFVWTJDQ-VIFPVBQESA-N 1 0 269.301 1.648 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCOC2)cc1 ZINC000070069990 374645510 /nfs/dbraw/zinc/64/55/10/374645510.db2.gz OJAUUUHEWHTKRI-GFCCVEGCSA-N 1 0 250.298 1.906 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000070447290 374662779 /nfs/dbraw/zinc/66/27/79/374662779.db2.gz MGSIOWGEYKUSDP-LLVKDONJSA-N 1 0 266.301 1.700 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000070578066 374665658 /nfs/dbraw/zinc/66/56/58/374665658.db2.gz IMFXKYKRIBMLLF-JQWIXIFHSA-N 1 0 277.324 1.729 20 5 CDBDRO CCc1nnc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000449347493 374802228 /nfs/dbraw/zinc/80/22/28/374802228.db2.gz IGDIKWXDWFRMPW-SNVBAGLBSA-N 1 0 289.339 1.996 20 5 CDBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093898972 374791530 /nfs/dbraw/zinc/79/15/30/374791530.db2.gz VLKQIGHLFMJVOY-NSHDSACASA-N 1 0 279.340 1.717 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000277510693 374791543 /nfs/dbraw/zinc/79/15/43/374791543.db2.gz KKELBAOSFSRWDP-VPPSXGLOSA-N 1 0 289.335 1.722 20 5 CDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000331234595 374911221 /nfs/dbraw/zinc/91/12/21/374911221.db2.gz DBIUQOCXGZBVKV-ZDUSSCGKSA-N 1 0 281.360 1.063 20 5 CDBDRO CC(C)[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331246089 374914363 /nfs/dbraw/zinc/91/43/63/374914363.db2.gz MCHRFLQFUKGXMN-STQMWFEESA-N 1 0 282.344 1.273 20 5 CDBDRO Cc1sc(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000332625181 375038671 /nfs/dbraw/zinc/03/86/71/375038671.db2.gz HCHVOWPLTMLDRO-XPUUQOCRSA-N 1 0 269.326 1.526 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493485666 375457658 /nfs/dbraw/zinc/45/76/58/375457658.db2.gz KQOWZNYPNWOCBB-FNORWQNLSA-N 1 0 295.314 1.815 20 5 CDBDRO C[C@H](O)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293954537 375518360 /nfs/dbraw/zinc/51/83/60/375518360.db2.gz ZNXGOYDPHIWFLT-IUCAKERBSA-N 1 0 253.302 1.599 20 5 CDBDRO COC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)OC ZINC000230147972 375524989 /nfs/dbraw/zinc/52/49/89/375524989.db2.gz DXDGVTTVSFBASE-LLVKDONJSA-N 1 0 288.731 1.999 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132792368 375594319 /nfs/dbraw/zinc/59/43/19/375594319.db2.gz SECCOVLCHHRBMD-ZANVPECISA-N 1 0 295.314 1.981 20 5 CDBDRO C[N@H+](CCC(N)=O)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000353196343 375585668 /nfs/dbraw/zinc/58/56/68/375585668.db2.gz SJPZWMAVZJLZCF-UHFFFAOYSA-N 1 0 271.704 1.555 20 5 CDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)C1CC(O)C1 ZINC000353484576 375616532 /nfs/dbraw/zinc/61/65/32/375616532.db2.gz QTNNUZMXWCVMEG-UHEGKEBESA-N 1 0 293.323 1.377 20 5 CDBDRO C[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000228053773 375679853 /nfs/dbraw/zinc/67/98/53/375679853.db2.gz LBGSAFVJODXWRJ-WDMOLILDSA-N 1 0 280.324 1.785 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)CC(N)=O ZINC000345043086 375731767 /nfs/dbraw/zinc/73/17/67/375731767.db2.gz DSVWZGWNBMXPHA-SDKXAQGSSA-N 1 0 277.324 1.852 20 5 CDBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000269849038 375798622 /nfs/dbraw/zinc/79/86/22/375798622.db2.gz SXXJKIDZIMJBDQ-QWRGUYRKSA-N 1 0 268.317 1.027 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NCC[NH+]1CCCC1 ZINC000357019223 375876573 /nfs/dbraw/zinc/87/65/73/375876573.db2.gz WALKYQCLWZNLOV-UHFFFAOYSA-N 1 0 295.314 1.488 20 5 CDBDRO CCCc1n[nH]c(C(=O)N2CCC[C@@H]([NH2+]C)C2)c1[N+](=O)[O-] ZINC000133995738 375881898 /nfs/dbraw/zinc/88/18/98/375881898.db2.gz JGJGFUZBVUNMLN-SECBINFHSA-N 1 0 295.343 1.094 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCCN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357090204 375883167 /nfs/dbraw/zinc/88/31/67/375883167.db2.gz ZWTACKXNDVMEPD-QWHCGFSZSA-N 1 0 291.351 1.515 20 5 CDBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000357419422 375907497 /nfs/dbraw/zinc/90/74/97/375907497.db2.gz KYPDEOVHDPUWQA-JTQLQIEISA-N 1 0 282.344 1.773 20 5 CDBDRO Cc1ccc(NC[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC000134267447 375946870 /nfs/dbraw/zinc/94/68/70/375946870.db2.gz VNVWQAOGCBIOBN-JTQLQIEISA-N 1 0 251.286 1.304 20 5 CDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000019801922 376023121 /nfs/dbraw/zinc/02/31/21/376023121.db2.gz DGJKMWWLUUAVEP-SNAWJCMRSA-N 1 0 261.281 1.040 20 5 CDBDRO CNC(=O)[C@@H](C)C[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000267048110 376522715 /nfs/dbraw/zinc/52/27/15/376522715.db2.gz FNAHROGCHPOXCJ-WDEREUQCSA-N 1 0 279.340 1.970 20 5 CDBDRO CC(=O)c1ccc(NC[C@@](C)(O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000269893044 377492305 /nfs/dbraw/zinc/49/23/05/377492305.db2.gz RLJZEMSPFNKFTC-CQSZACIVSA-N 1 0 295.339 1.522 20 5 CDBDRO CC(=O)NCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173304957 378121746 /nfs/dbraw/zinc/12/17/46/378121746.db2.gz HATATYCYEDYEPS-JTQLQIEISA-N 1 0 265.313 1.772 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000193090002 378250917 /nfs/dbraw/zinc/25/09/17/378250917.db2.gz QJNYBWFEPNZVKS-UHFFFAOYSA-N 1 0 292.339 1.464 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@H]3CCCOC3)nc2c1 ZINC000446848095 250319373 /nfs/dbraw/zinc/31/93/73/250319373.db2.gz FALVOOJBQKPZAC-SNVBAGLBSA-N 1 0 290.323 1.987 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@]1(CCO)CCOC1 ZINC000447079468 250338735 /nfs/dbraw/zinc/33/87/35/250338735.db2.gz VXNOVAYVAQCIJY-QTLSWZBMSA-N 1 0 292.335 1.739 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000175182613 379652501 /nfs/dbraw/zinc/65/25/01/379652501.db2.gz JYWASTBYZJBIFD-JTQLQIEISA-N 1 0 293.323 1.301 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000450219266 251178229 /nfs/dbraw/zinc/17/82/29/251178229.db2.gz VXPYXTNNUMHVHG-JTQLQIEISA-N 1 0 292.339 1.590 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2C[C@@H](O)C2)n1 ZINC000453347316 252302600 /nfs/dbraw/zinc/30/26/00/252302600.db2.gz BOIDMBNMNTWNTJ-WRWGMCAJSA-N 1 0 280.328 1.388 20 5 CDBDRO C[NH+](C)CC1(NC(=O)c2csc([N+](=O)[O-])c2)CCC1 ZINC000281073903 195093565 /nfs/dbraw/zinc/09/35/65/195093565.db2.gz NACAZTDOWXPGDL-UHFFFAOYSA-N 1 0 283.353 1.870 20 5 CDBDRO C[NH+](C)CC1(NC(=O)c2ccc([N+](=O)[O-])s2)CCC1 ZINC000281088571 195099189 /nfs/dbraw/zinc/09/91/89/195099189.db2.gz OTKUEVBOYPQXBM-UHFFFAOYSA-N 1 0 283.353 1.870 20 5 CDBDRO C[NH+](C)CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492183025 253171209 /nfs/dbraw/zinc/17/12/09/253171209.db2.gz DKPDRCNJSGFMIY-XQRVVYSFSA-N 1 0 281.287 1.425 20 5 CDBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000281127423 195114029 /nfs/dbraw/zinc/11/40/29/195114029.db2.gz NAFPVORHLNQTEO-OAHLLOKOSA-N 1 0 291.351 1.861 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCN2CCC2)n1 ZINC000447585538 285169792 /nfs/dbraw/zinc/16/97/92/285169792.db2.gz JQHSKELOALDQFM-OLZOCXBDSA-N 1 0 293.371 1.570 20 5 CDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)/C=C/C[NH+](C)C ZINC000288300988 197046950 /nfs/dbraw/zinc/04/69/50/197046950.db2.gz LNUWWRDTXYEXSF-RMKNXTFCSA-N 1 0 291.351 1.714 20 5 CDBDRO COc1cccc(C(=O)N(C)C2(C[NH3+])CCC2)c1[N+](=O)[O-] ZINC000517125949 260017490 /nfs/dbraw/zinc/01/74/90/260017490.db2.gz AGRQOPRWGFTVQZ-UHFFFAOYSA-N 1 0 293.323 1.557 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000163242341 390179954 /nfs/dbraw/zinc/17/99/54/390179954.db2.gz MADAVFSBTRAPQG-WPRPVWTQSA-N 1 0 255.343 1.825 20 5 CDBDRO C[NH+]1CCN(CCCNc2ncc([N+](=O)[O-])s2)CC1 ZINC000281781678 195379299 /nfs/dbraw/zinc/37/92/99/195379299.db2.gz DJGAUNSUAGGAIE-UHFFFAOYSA-N 1 0 285.373 1.101 20 5 CDBDRO COc1cc(CNCC2([NH+](C)C)CC2)c([N+](=O)[O-])cc1O ZINC000418116558 390496173 /nfs/dbraw/zinc/49/61/73/390496173.db2.gz QXRHJABJLCDOTF-UHFFFAOYSA-N 1 0 295.339 1.493 20 5 CDBDRO CC(C)c1n[nH]c(C(=O)NCC[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000433748371 390453458 /nfs/dbraw/zinc/45/34/58/390453458.db2.gz RFQHNRUOPPTXOI-UHFFFAOYSA-N 1 0 297.359 1.511 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000111303632 390671989 /nfs/dbraw/zinc/67/19/89/390671989.db2.gz ODGUQLMJZIQMTC-SECBINFHSA-N 1 0 251.286 1.370 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000235346829 390869473 /nfs/dbraw/zinc/86/94/73/390869473.db2.gz RWFRPGMFODZMKM-GMSGAONNSA-N 1 0 283.715 1.667 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](N(C)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000452111209 391043697 /nfs/dbraw/zinc/04/36/97/391043697.db2.gz BUONLBFUVQEKHV-LBPRGKRZSA-N 1 0 281.360 1.206 20 5 CDBDRO C[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000441449367 391107858 /nfs/dbraw/zinc/10/78/58/391107858.db2.gz QIIZCBOZJKMTJO-NTZNESFSSA-N 1 0 282.344 1.273 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])cn1 ZINC000408067905 391234264 /nfs/dbraw/zinc/23/42/64/391234264.db2.gz PYFRJFVBVJQYEB-VHSXEESVSA-N 1 0 250.302 1.519 20 5 CDBDRO C[NH+](C)C[C@H]1CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000268228141 391302046 /nfs/dbraw/zinc/30/20/46/391302046.db2.gz XPWALALSDSQKNT-SNVBAGLBSA-N 1 0 283.353 1.823 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000383451471 391337605 /nfs/dbraw/zinc/33/76/05/391337605.db2.gz HQFYPRYLZKYKSW-SNVBAGLBSA-N 1 0 287.266 1.616 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000415509752 391468398 /nfs/dbraw/zinc/46/83/98/391468398.db2.gz XFKOGAWGBOYZSP-JTQLQIEISA-N 1 0 278.312 1.777 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415628037 391469578 /nfs/dbraw/zinc/46/95/78/391469578.db2.gz DGTBMUZEJUJFCN-QMMMGPOBSA-N 1 0 284.291 1.983 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)C[NH3+] ZINC000415657791 391470843 /nfs/dbraw/zinc/47/08/43/391470843.db2.gz MRTYPIVKWAJABE-UHFFFAOYSA-N 1 0 296.327 1.852 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000521101450 391619084 /nfs/dbraw/zinc/61/90/84/391619084.db2.gz LFTIQGQJENERDJ-VXGBXAGGSA-N 1 0 293.371 1.650 20 5 CDBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000185155365 391622422 /nfs/dbraw/zinc/62/24/22/391622422.db2.gz HUQWMFOGSSDTDD-RTXFEEFZSA-N 1 0 275.308 1.404 20 5 CDBDRO O=[N+]([O-])c1cccc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000437774604 391644127 /nfs/dbraw/zinc/64/41/27/391644127.db2.gz LVTFCFRUDPNUKC-BETUJISGSA-N 1 0 261.325 1.921 20 5 CDBDRO CC/C=C/C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000574311958 391597573 /nfs/dbraw/zinc/59/75/73/391597573.db2.gz FDKXWIGIZQZEIO-UXONFWTHSA-N 1 0 280.324 1.890 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC000323374542 391603318 /nfs/dbraw/zinc/60/33/18/391603318.db2.gz FQVOKDHIKIJUOG-HLUHBDAQSA-N 1 0 252.270 1.005 20 5 CDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC[NH2+]1 ZINC000237994705 391723840 /nfs/dbraw/zinc/72/38/40/391723840.db2.gz PJVLXJUEFQPOPZ-LLVKDONJSA-N 1 0 293.323 1.232 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000189681233 130007722 /nfs/dbraw/zinc/00/77/22/130007722.db2.gz WQTUSAZZBCEJGV-QMMMGPOBSA-N 1 0 256.331 1.948 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000189681211 130007908 /nfs/dbraw/zinc/00/79/08/130007908.db2.gz WQTUSAZZBCEJGV-MRVPVSSYSA-N 1 0 256.331 1.948 20 5 CDBDRO C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000190360295 130094330 /nfs/dbraw/zinc/09/43/30/130094330.db2.gz ZFTZLXHMFAOFCA-SMDDNHRTSA-N 1 0 280.324 1.676 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000191344087 130223386 /nfs/dbraw/zinc/22/33/86/130223386.db2.gz RMHIMYWNLWEOQA-SECBINFHSA-N 1 0 295.364 1.880 20 5 CDBDRO Cn1nncc1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000342241073 130365494 /nfs/dbraw/zinc/36/54/94/130365494.db2.gz HPOQTZGGFOGYKE-GQCTYLIASA-N 1 0 273.296 1.526 20 5 CDBDRO C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000237428853 131030364 /nfs/dbraw/zinc/03/03/64/131030364.db2.gz OVCVVFJZZNUYHH-GHMZBOCLSA-N 1 0 293.323 1.182 20 5 CDBDRO [NH3+]C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000237908268 131064687 /nfs/dbraw/zinc/06/46/87/131064687.db2.gz VQKFATFOQVBUQZ-NSHDSACASA-N 1 0 283.715 1.715 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000237926431 131066541 /nfs/dbraw/zinc/06/65/41/131066541.db2.gz AJSJQVJLNVSJGY-ZETCQYMHSA-N 1 0 269.688 1.421 20 5 CDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC[NH2+]CC1 ZINC000237947040 131068348 /nfs/dbraw/zinc/06/83/48/131068348.db2.gz IOCHGSBXIMRQNF-UHFFFAOYSA-N 1 0 289.295 1.409 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000261566954 131152717 /nfs/dbraw/zinc/15/27/17/131152717.db2.gz IIXQCWMUPGPPEI-VIFPVBQESA-N 1 0 251.286 1.241 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261752011 131167180 /nfs/dbraw/zinc/16/71/80/131167180.db2.gz JBICNHFCHRNHOT-AOOOYVTPSA-N 1 0 295.364 1.728 20 5 CDBDRO C[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000263781251 131328708 /nfs/dbraw/zinc/32/87/08/131328708.db2.gz YXJAQXCIJXPTQJ-LLVKDONJSA-N 1 0 277.324 1.899 20 5 CDBDRO C[NH+](C)CC(C)(C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459545765 392461440 /nfs/dbraw/zinc/46/14/40/392461440.db2.gz HBOYHNOPXTWXNO-UHFFFAOYSA-N 1 0 294.355 1.463 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCN1c1c([N+](=O)[O-])nc(C)n1CC ZINC000549636858 392597469 /nfs/dbraw/zinc/59/74/69/392597469.db2.gz HCHMSFSROOSAGJ-LLVKDONJSA-N 1 0 281.360 1.650 20 5 CDBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2c([N+](=O)[O-])ncn2C)C[C@@H](C)C1 ZINC000488774455 392725447 /nfs/dbraw/zinc/72/54/47/392725447.db2.gz YNMAHYSWSOVYKC-SDDRHHMPSA-N 1 0 293.371 1.495 20 5 CDBDRO C[C@@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)[C@@H](C[NH3+])C1 ZINC000420264347 392916712 /nfs/dbraw/zinc/91/67/12/392916712.db2.gz UXBQMMVHZVGSAB-NXEZZACHSA-N 1 0 290.327 1.201 20 5 CDBDRO [NH3+]CCCN(CC1CCCC1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000423634068 392965902 /nfs/dbraw/zinc/96/59/02/392965902.db2.gz MILCMBASFBTAHW-UHFFFAOYSA-N 1 0 295.343 1.299 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000194886489 392996345 /nfs/dbraw/zinc/99/63/45/392996345.db2.gz RMZRSFNNPRHBMP-SSDOTTSWSA-N 1 0 279.321 1.887 20 5 CDBDRO C[NH2+][C@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000430619559 393102356 /nfs/dbraw/zinc/10/23/56/393102356.db2.gz GJRBDSIOJDHVOT-JQWIXIFHSA-N 1 0 292.339 1.216 20 5 CDBDRO [NH3+]C1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000430631395 393102797 /nfs/dbraw/zinc/10/27/97/393102797.db2.gz BIZCCDGFKVNAEU-UHFFFAOYSA-N 1 0 253.277 1.657 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000070177055 393103244 /nfs/dbraw/zinc/10/32/44/393103244.db2.gz SOOYCXWYVBHUOV-WCBMZHEXSA-N 1 0 283.353 1.856 20 5 CDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH3+])C1 ZINC000430935614 393104278 /nfs/dbraw/zinc/10/42/78/393104278.db2.gz UMOPNSWNOPUXMI-GHMZBOCLSA-N 1 0 292.339 1.202 20 5 CDBDRO COC[C@H](CCO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532516504 393075529 /nfs/dbraw/zinc/07/55/29/393075529.db2.gz BYSYFAGXFZHZDP-NEPJUHHUSA-N 1 0 282.340 1.951 20 5 CDBDRO CCOc1ccc(C(=O)N[C@@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000449590237 393135618 /nfs/dbraw/zinc/13/56/18/393135618.db2.gz KYSFRJGIBKTEFD-IUCAKERBSA-N 1 0 281.312 1.459 20 5 CDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]C1 ZINC000493621443 393215704 /nfs/dbraw/zinc/21/57/04/393215704.db2.gz RLRUNHYEEWPJOT-TXNVCOODSA-N 1 0 293.298 1.615 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000132016036 139847138 /nfs/dbraw/zinc/84/71/38/139847138.db2.gz OHNWIEJQHWKZQS-YUMQZZPRSA-N 1 0 269.326 1.466 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000135230863 139885697 /nfs/dbraw/zinc/88/56/97/139885697.db2.gz NBTSBSXJBJFUTR-JTQLQIEISA-N 1 0 265.313 1.489 20 5 CDBDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000186396600 140060597 /nfs/dbraw/zinc/06/05/97/140060597.db2.gz KJGAKRDIWSECLE-ZIAGYGMSSA-N 1 0 296.371 1.975 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C(C)(C)C2)c1 ZINC000212739864 140161070 /nfs/dbraw/zinc/16/10/70/140161070.db2.gz ZRTROCMUZZEPAS-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO Cc1nc(N2CCC[C@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000227211355 140183529 /nfs/dbraw/zinc/18/35/29/140183529.db2.gz DYDJQWSOUZGFAP-ONGXEEELSA-N 1 0 264.329 1.862 20 5 CDBDRO Cc1ccc(C(=O)NCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000230065837 140206806 /nfs/dbraw/zinc/20/68/06/140206806.db2.gz XWEWNBOXNXOQSF-UHFFFAOYSA-N 1 0 263.297 1.514 20 5 CDBDRO Cc1c(CNC(=O)CC2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000231856608 140219993 /nfs/dbraw/zinc/21/99/93/140219993.db2.gz BLKSEFNCGSGPTM-UHFFFAOYSA-N 1 0 291.351 1.909 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[NH2+]CC1 ZINC000232237108 140221773 /nfs/dbraw/zinc/22/17/73/140221773.db2.gz BEJHETYGCULEJQ-LBPRGKRZSA-N 1 0 277.324 1.396 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251618120 140310013 /nfs/dbraw/zinc/31/00/13/140310013.db2.gz DUGUGXXPLFHUOJ-ZWNOBZJWSA-N 1 0 279.340 1.773 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000261567962 140350103 /nfs/dbraw/zinc/35/01/03/140350103.db2.gz IVAHNQKAEHUPCM-JOYOIKCWSA-N 1 0 265.313 1.382 20 5 CDBDRO CCCN(c1c([N+](=O)[O-])nc(C)n1CC)[C@H]1CC[NH2+]C1 ZINC000261623148 140364589 /nfs/dbraw/zinc/36/45/89/140364589.db2.gz AFXQTVFHRCVKMS-NSHDSACASA-N 1 0 281.360 1.698 20 5 CDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000261641308 140367408 /nfs/dbraw/zinc/36/74/08/140367408.db2.gz GHLDFDLOKICJGZ-LBPRGKRZSA-N 1 0 277.324 1.713 20 5 CDBDRO Nc1ccc(-c2nc(C3([NH3+])CCC3)no2)cc1[N+](=O)[O-] ZINC000261785566 140389431 /nfs/dbraw/zinc/38/94/31/140389431.db2.gz OCHJJVVHINMMKW-UHFFFAOYSA-N 1 0 275.268 1.565 20 5 CDBDRO COc1cc(N2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000261800486 140390057 /nfs/dbraw/zinc/39/00/57/140390057.db2.gz RHARUHHBPSRILJ-CMPLNLGQSA-N 1 0 277.324 1.792 20 5 CDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000261833400 140396722 /nfs/dbraw/zinc/39/67/22/140396722.db2.gz YXSGKRHAWSJIGR-VIFPVBQESA-N 1 0 266.301 1.041 20 5 CDBDRO CCOc1ccc([C@H](C)NCC[NH2+]C)cc1[N+](=O)[O-] ZINC000423226065 397603036 /nfs/dbraw/zinc/60/30/36/397603036.db2.gz PHWVCJZHLIMNBW-JTQLQIEISA-N 1 0 267.329 1.864 20 5 CDBDRO C[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094342109 147083142 /nfs/dbraw/zinc/08/31/42/147083142.db2.gz QISNQWFADVFCID-CABZTGNLSA-N 1 0 267.304 1.903 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@](C)(C[NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000262069094 149008176 /nfs/dbraw/zinc/00/81/76/149008176.db2.gz SGPUKKOYSFNNTO-AWEZNQCLSA-N 1 0 292.339 1.296 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000262083567 149012312 /nfs/dbraw/zinc/01/23/12/149012312.db2.gz QSJKSJJXYTWZJE-NXEZZACHSA-N 1 0 299.352 1.143 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000313971630 149250206 /nfs/dbraw/zinc/25/02/06/149250206.db2.gz UDYYFMXCWUIAKM-LLVKDONJSA-N 1 0 295.314 1.900 20 5 CDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000314369467 149253680 /nfs/dbraw/zinc/25/36/80/149253680.db2.gz KHUZHOSQLIXJMT-LBPRGKRZSA-N 1 0 293.323 1.041 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000334042443 149305423 /nfs/dbraw/zinc/30/54/23/149305423.db2.gz NADLXIIVELBMPQ-CMPLNLGQSA-N 1 0 277.324 1.807 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2cnccn2)cs1 ZINC000341275164 151798542 /nfs/dbraw/zinc/79/85/42/151798542.db2.gz YXMCNWXARFQRCU-UHFFFAOYSA-N 1 0 264.310 1.779 20 5 CDBDRO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)CCC[N@@H+]1C ZINC000343561362 152225618 /nfs/dbraw/zinc/22/56/18/152225618.db2.gz QAFCSVZZOWIHAN-IUCAKERBSA-N 1 0 267.285 1.400 20 5 CDBDRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000344041519 152399589 /nfs/dbraw/zinc/39/95/89/152399589.db2.gz WBNSDNNKDMTSAT-SGMGOOAPSA-N 1 0 292.335 1.806 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000346223601 153103607 /nfs/dbraw/zinc/10/36/07/153103607.db2.gz MPFQMDKDBWOJIG-ZJUUUORDSA-N 1 0 297.330 1.904 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000163532475 292282871 /nfs/dbraw/zinc/28/28/71/292282871.db2.gz RCRAJSCGPCGJLB-NEPJUHHUSA-N 1 0 291.351 1.960 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278564304 292295400 /nfs/dbraw/zinc/29/54/00/292295400.db2.gz BQMCJEQCIVPUAQ-WQAKAFBOSA-N 1 0 266.297 1.002 20 5 CDBDRO C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccon1 ZINC000349235016 154071448 /nfs/dbraw/zinc/07/14/48/154071448.db2.gz FOQQCRTZCHGWAQ-QMMMGPOBSA-N 1 0 290.279 1.533 20 5 CDBDRO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356163287 157379393 /nfs/dbraw/zinc/37/93/93/157379393.db2.gz XTNGBGNFXMIURI-SNVBAGLBSA-N 1 0 297.359 1.034 20 5 CDBDRO O=C(N[C@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])o1 ZINC000361116973 158731594 /nfs/dbraw/zinc/73/15/94/158731594.db2.gz GWUWQONPDVRDTD-UWVGGRQHSA-N 1 0 279.296 1.306 20 5 CDBDRO COCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285310319 196247835 /nfs/dbraw/zinc/24/78/35/196247835.db2.gz SMRONJMDSYCXPZ-ONGXEEELSA-N 1 0 283.328 1.225 20 5 CDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1(CO)CC1 ZINC000285424051 196280461 /nfs/dbraw/zinc/28/04/61/196280461.db2.gz GWDKRSMJSHKIJY-UHFFFAOYSA-N 1 0 250.298 1.594 20 5 CDBDRO CS(=O)(=O)CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000038048017 174058704 /nfs/dbraw/zinc/05/87/04/174058704.db2.gz LCSAEBIUMGZCNL-UHFFFAOYSA-N 1 0 286.353 1.162 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])s1 ZINC000044501718 175185875 /nfs/dbraw/zinc/18/58/75/175185875.db2.gz BHWHESMWESWNRK-QMMMGPOBSA-N 1 0 269.326 1.386 20 5 CDBDRO [NH3+]CC1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000044512282 175188255 /nfs/dbraw/zinc/18/82/55/175188255.db2.gz XVKJBGGVDUYWSP-UHFFFAOYSA-N 1 0 255.343 1.827 20 5 CDBDRO CC[NH+]1CCC(CNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000044526329 175191482 /nfs/dbraw/zinc/19/14/82/175191482.db2.gz SQRKOMFPZOIBLP-UHFFFAOYSA-N 1 0 265.317 1.529 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCN(C3CC3)C2)cs1 ZINC000044687470 175231862 /nfs/dbraw/zinc/23/18/62/175231862.db2.gz PIBORFVATYGESD-SNVBAGLBSA-N 1 0 267.354 1.983 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCN(C3CC3)C2)cc1 ZINC000044722145 175236937 /nfs/dbraw/zinc/23/69/37/175236937.db2.gz TYNIQUDIIJTZME-CYBMUJFWSA-N 1 0 275.352 1.964 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000044723135 175237560 /nfs/dbraw/zinc/23/75/60/175237560.db2.gz DEPVNZUTPUZGBX-LBPRGKRZSA-N 1 0 291.351 1.930 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000044747926 175243627 /nfs/dbraw/zinc/24/36/27/175243627.db2.gz QVKRAEFRXDIVFE-LBPRGKRZSA-N 1 0 291.351 1.975 20 5 CDBDRO Cc1c(C(=O)NC[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000070446810 175938490 /nfs/dbraw/zinc/93/84/90/175938490.db2.gz KBNZESLMVKMZMF-LLVKDONJSA-N 1 0 265.313 1.616 20 5 CDBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CC[NH2+]C1 ZINC000071315117 176121394 /nfs/dbraw/zinc/12/13/94/176121394.db2.gz ZBKOIKXBWGONTL-NSHDSACASA-N 1 0 295.314 1.948 20 5 CDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[NH2+]C1 ZINC000214311450 260282893 /nfs/dbraw/zinc/28/28/93/260282893.db2.gz FTTFKRWVRGWAPJ-JECSTDCCSA-N 1 0 275.308 1.476 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CC[NH+](C)C)c1 ZINC000266203974 262915124 /nfs/dbraw/zinc/91/51/24/262915124.db2.gz OBKNEOMWLQKGJS-LLVKDONJSA-N 1 0 279.340 1.973 20 5 CDBDRO CN1CC[NH2+]C[C@@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000394806998 270339085 /nfs/dbraw/zinc/33/90/85/270339085.db2.gz XCGIENRRIPUQGX-SNVBAGLBSA-N 1 0 284.747 1.564 20 5 CDBDRO [NH3+][C@H](C(=O)NCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000399163187 270369461 /nfs/dbraw/zinc/36/94/61/270369461.db2.gz DETSADQWATUUHA-LBPRGKRZSA-N 1 0 263.297 1.338 20 5 CDBDRO CC[C@@H](C)[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000296044284 273716483 /nfs/dbraw/zinc/71/64/83/273716483.db2.gz QBMCQFYNTRXZCZ-SNVBAGLBSA-N 1 0 265.317 1.305 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]1C[NH3+] ZINC000070176557 274554310 /nfs/dbraw/zinc/55/43/10/274554310.db2.gz OZLWFSTUUQXBPR-WPRPVWTQSA-N 1 0 266.301 1.122 20 5 CDBDRO C[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000261585658 274601513 /nfs/dbraw/zinc/60/15/13/274601513.db2.gz IMQUAVRWZXUAEB-ZETCQYMHSA-N 1 0 279.325 1.398 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000288672918 274631424 /nfs/dbraw/zinc/63/14/24/274631424.db2.gz WEEDWDRARCUXHU-BXKDBHETSA-N 1 0 263.297 1.921 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171451147 275012749 /nfs/dbraw/zinc/01/27/49/275012749.db2.gz FTVNZRCBKYQDBQ-SNVBAGLBSA-N 1 0 279.296 1.498 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000422908582 276242900 /nfs/dbraw/zinc/24/29/00/276242900.db2.gz YTIHDNYKNUKTRR-SNVBAGLBSA-N 1 0 295.339 1.851 20 5 CDBDRO CCc1nn(C)c(N2CCC([C@H](C)[NH3+])CC2)c1[N+](=O)[O-] ZINC000091562590 276700036 /nfs/dbraw/zinc/70/00/36/276700036.db2.gz IJZILTVUGCUGMS-VIFPVBQESA-N 1 0 281.360 1.454 20 5 CDBDRO CNC(=O)[C@@H](CCSC)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000342321366 277240257 /nfs/dbraw/zinc/24/02/57/277240257.db2.gz WMDNYMWVXFBYAI-GFCCVEGCSA-N 1 0 297.380 1.552 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000237374961 278312775 /nfs/dbraw/zinc/31/27/75/278312775.db2.gz CATDVNVYWYIHEL-KOLCDFICSA-N 1 0 292.339 1.519 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000063193391 278317057 /nfs/dbraw/zinc/31/70/57/278317057.db2.gz KMSVTZJSUWRKHR-RKDXNWHRSA-N 1 0 267.285 1.530 20 5 CDBDRO C[C@@](C[NH3+])(NCc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000430597178 279149066 /nfs/dbraw/zinc/14/90/66/279149066.db2.gz PXGYDRFBMBGGHH-ZDUSSCGKSA-N 1 0 267.304 1.951 20 5 CDBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000345621404 279302903 /nfs/dbraw/zinc/30/29/03/279302903.db2.gz PFJGMXGJHYPQCK-LLVKDONJSA-N 1 0 294.355 1.538 20 5 CDBDRO C[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163643806 279712937 /nfs/dbraw/zinc/71/29/37/279712937.db2.gz WAUSDHLNUTVOTG-QWRGUYRKSA-N 1 0 277.324 1.652 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000214394842 280087402 /nfs/dbraw/zinc/08/74/02/280087402.db2.gz RXCBOIMOWBJJCS-SZZPACECSA-N 1 0 289.335 1.676 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000219816090 280092012 /nfs/dbraw/zinc/09/20/12/280092012.db2.gz JZBMEQDLOLOZKJ-WCQYABFASA-N 1 0 261.325 1.779 20 5 CDBDRO C[C@H]1[C@H]([NH3+])CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420258491 280114681 /nfs/dbraw/zinc/11/46/81/280114681.db2.gz XQEMVIKMKWWBHI-GZMMTYOYSA-N 1 0 289.295 1.571 20 5 CDBDRO Cc1c(CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000235693510 280127543 /nfs/dbraw/zinc/12/75/43/280127543.db2.gz VWGGAIKDOZQTLG-JQWIXIFHSA-N 1 0 291.351 1.908 20 5 CDBDRO Cc1cc(C(=O)N2CC[NH2+]C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000125056885 280331555 /nfs/dbraw/zinc/33/15/55/280331555.db2.gz ZFLJRGCQZKQRSC-SNVBAGLBSA-N 1 0 263.297 1.337 20 5 CDBDRO CCN1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000391563179 280681176 /nfs/dbraw/zinc/68/11/76/280681176.db2.gz BBRHFVBKKPLNGY-CMPLNLGQSA-N 1 0 277.324 1.866 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000235440146 281008458 /nfs/dbraw/zinc/00/84/58/281008458.db2.gz DBWDFCUGDBQBCQ-GHMZBOCLSA-N 1 0 277.324 1.774 20 5 CDBDRO Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000290531919 281250130 /nfs/dbraw/zinc/25/01/30/281250130.db2.gz DJVZRPDPRLZPSM-GFCCVEGCSA-N 1 0 280.324 1.737 20 5 CDBDRO C[C@H](O)C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000190905408 290082315 /nfs/dbraw/zinc/08/23/15/290082315.db2.gz LZVGYMHCGZMLRI-RYUDHWBXSA-N 1 0 298.339 1.037 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000557920365 290373527 /nfs/dbraw/zinc/37/35/27/290373527.db2.gz UHLQLGLNOHTOHN-ZDUSSCGKSA-N 1 0 291.351 1.690 20 5 CDBDRO CCC(CC)(C[NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000165302517 292856369 /nfs/dbraw/zinc/85/63/69/292856369.db2.gz VXKHWYPCVJZQEE-UHFFFAOYSA-N 1 0 279.340 1.976 20 5 CDBDRO C[C@H](CC(N)=O)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565491007 293623644 /nfs/dbraw/zinc/62/36/44/293623644.db2.gz JSZXFFRWEITTTA-LDYMZIIASA-N 1 0 263.297 1.436 20 5 CDBDRO CC(C)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])OCCO ZINC000571061178 294363068 /nfs/dbraw/zinc/36/30/68/294363068.db2.gz SYSUHKKIPHXGOK-CYBMUJFWSA-N 1 0 294.351 1.959 20 5 CDBDRO C[C@@H]1C[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572751403 294686524 /nfs/dbraw/zinc/68/65/24/294686524.db2.gz HASPXIUBOBDINZ-UTUOFQBUSA-N 1 0 280.324 1.580 20 5 CDBDRO O=[N+]([O-])c1cccc(CC[NH2+]CC2(O)CCC2)c1 ZINC000574631758 295029785 /nfs/dbraw/zinc/02/97/85/295029785.db2.gz JJLLOFFDQJPXQD-UHFFFAOYSA-N 1 0 250.298 1.642 20 5 CDBDRO Cc1cccc(C(=O)N2C[C@H]3CC[C@H]([NH3+])[C@@H]3C2)c1[N+](=O)[O-] ZINC000185187805 301954613 /nfs/dbraw/zinc/95/46/13/301954613.db2.gz RIBHZNQWPBFSBY-RTXFEEFZSA-N 1 0 289.335 1.713 20 5 CDBDRO CC(C)[NH2+]CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000563452219 316314380 /nfs/dbraw/zinc/31/43/80/316314380.db2.gz XDBIGBIWSKUNIU-UHFFFAOYSA-N 1 0 281.312 1.088 20 5 CDBDRO COc1cccc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)c1[N+](=O)[O-] ZINC000563805046 316372374 /nfs/dbraw/zinc/37/23/74/316372374.db2.gz OLQKFVQTFADODH-NSHDSACASA-N 1 0 295.339 1.707 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000576175168 317091432 /nfs/dbraw/zinc/09/14/32/317091432.db2.gz QWGVOMXWXCIQJD-LLVKDONJSA-N 1 0 264.329 1.829 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000577073196 317261051 /nfs/dbraw/zinc/26/10/51/317261051.db2.gz MMAQFIQKOHAHGG-NWDGAFQWSA-N 1 0 279.340 1.785 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000382411814 323638795 /nfs/dbraw/zinc/63/87/95/323638795.db2.gz DWZXMTKXIRJYFR-WDEREUQCSA-N 1 0 281.287 1.734 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000382408654 323639066 /nfs/dbraw/zinc/63/90/66/323639066.db2.gz CKLLNEOOMYOSOT-NXEZZACHSA-N 1 0 250.302 1.980 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000382449141 323640601 /nfs/dbraw/zinc/64/06/01/323640601.db2.gz CTPNDEQKMHGREZ-QWRGUYRKSA-N 1 0 277.324 1.760 20 5 CDBDRO CC(C)Oc1nc(NCC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000579005157 324081655 /nfs/dbraw/zinc/08/16/55/324081655.db2.gz RSMOWTMQRQQCNZ-UHFFFAOYSA-N 1 0 294.355 1.705 20 5 CDBDRO CC(C)[NH2+]CCCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000580196718 324397915 /nfs/dbraw/zinc/39/79/15/324397915.db2.gz ZNDFHGYHJUAODA-UHFFFAOYSA-N 1 0 294.355 1.511 20 5 CDBDRO COc1cc(CN[C@@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000582965642 325079958 /nfs/dbraw/zinc/07/99/58/325079958.db2.gz UGARTLALVHCYDT-UWVGGRQHSA-N 1 0 297.355 1.827 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N(C)C ZINC000584241961 327125636 /nfs/dbraw/zinc/12/56/36/327125636.db2.gz BFQPLCLYULBSKX-JOYOIKCWSA-N 1 0 277.324 1.648 20 5 CDBDRO O=C(NCC[NH2+]C1CC1)NCCc1ccccc1[N+](=O)[O-] ZINC000591353227 482444659 /nfs/dbraw/zinc/44/46/59/482444659.db2.gz AWBJRDACPOFUBU-UHFFFAOYSA-N 1 0 292.339 1.189 20 5 CDBDRO CCOc1ccc(C(=O)NC[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000237080942 520908153 /nfs/dbraw/zinc/90/81/53/520908153.db2.gz CIUFWUMLNLPMIQ-VIFPVBQESA-N 1 0 281.312 1.318 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000337027996 521614138 /nfs/dbraw/zinc/61/41/38/521614138.db2.gz WLSQSWCDOCEXTP-VIFPVBQESA-N 1 0 270.358 1.617 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000148828657 522071541 /nfs/dbraw/zinc/07/15/41/522071541.db2.gz USDVVAUVZHNJTE-VIFPVBQESA-N 1 0 265.313 1.489 20 5 CDBDRO COC[C@@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245438759 522224609 /nfs/dbraw/zinc/22/46/09/522224609.db2.gz FMGHKPPUDMGZHS-GHMZBOCLSA-N 1 0 280.328 1.511 20 5 CDBDRO CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000049096030 524100037 /nfs/dbraw/zinc/10/00/37/524100037.db2.gz DOVSBLCWTJIFMH-ZJUUUORDSA-N 1 0 265.313 1.688 20 5 CDBDRO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000186826361 524600437 /nfs/dbraw/zinc/60/04/37/524600437.db2.gz KXYDZGSUYFLPRT-AAEUAGOBSA-N 1 0 280.324 1.676 20 5 CDBDRO C[C@@H]1CC[C@H](C)[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246597840 524658945 /nfs/dbraw/zinc/65/89/45/524658945.db2.gz QHBYZXZVSKJYSQ-UMNHJUIQSA-N 1 0 268.317 1.025 20 5 CDBDRO C[C@@H]([NH3+])CCC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000070316155 524997072 /nfs/dbraw/zinc/99/70/72/524997072.db2.gz CDHHCSGVFRMDOF-ZJUUUORDSA-N 1 0 265.313 1.899 20 5 CDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157328474 525382510 /nfs/dbraw/zinc/38/25/10/525382510.db2.gz OHRGVFDGQAWENL-PHIMTYICSA-N 1 0 252.318 1.769 20 5 CDBDRO C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])s2)CCC[N@@H+]1C ZINC000337021195 525710104 /nfs/dbraw/zinc/71/01/04/525710104.db2.gz RJLYPBIEIQUAAS-HTQZYQBOSA-N 1 0 256.331 1.946 20 5 CDBDRO C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C1C[NH2+]C1 ZINC000164104883 526080583 /nfs/dbraw/zinc/08/05/83/526080583.db2.gz RXTUIXHDDPVOSL-VIFPVBQESA-N 1 0 263.297 1.067 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CCCC[NH2+]1 ZINC000052943199 526726391 /nfs/dbraw/zinc/72/63/91/526726391.db2.gz AZHYMOFQXPNKQU-GFCCVEGCSA-N 1 0 263.297 1.353 20 5 CDBDRO CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000237073798 535977852 /nfs/dbraw/zinc/97/78/52/535977852.db2.gz GEKNXHMYCJUDKH-UHFFFAOYSA-N 1 0 291.351 1.738 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000422769777 536411344 /nfs/dbraw/zinc/41/13/44/536411344.db2.gz POAUGXPRLCHNSG-JTQLQIEISA-N 1 0 293.323 1.427 20 5 CDBDRO COC[C@]1(CNC(=O)c2csc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000261654827 536686819 /nfs/dbraw/zinc/68/68/19/536686819.db2.gz DNQRWKNHLPHTBB-GFCCVEGCSA-N 1 0 299.352 1.155 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@H]2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000893221896 617473373 /nfs/dbraw/zinc/47/33/73/617473373.db2.gz SFEAGIRKISOZMQ-ONGXEEELSA-N 1 0 296.323 1.966 20 5 CDBDRO C[C@]1(NC(=O)c2ccc([N+](=O)[O-])cc2)C[NH+]2CCC1CC2 ZINC000892798301 617760396 /nfs/dbraw/zinc/76/03/96/617760396.db2.gz ASFGUWOTICHLBU-HNNXBMFYSA-N 1 0 289.335 1.809 20 5 CDBDRO C[C@@H](C[N+](=O)[O-])OC(=O)C12CCC[NH+](CCC1)C2 ZINC000893077709 618134619 /nfs/dbraw/zinc/13/46/19/618134619.db2.gz SUUPQDKGRLGLOS-JTQLQIEISA-N 1 0 256.302 1.071 20 5 CDBDRO CCC[N@H+](CC)C[C@H](C)Nc1c([N+](=O)[O-])cnn1C ZINC000893926159 618182649 /nfs/dbraw/zinc/18/26/49/618182649.db2.gz SNJGHQOHDZKHHM-JTQLQIEISA-N 1 0 269.349 1.861 20 5 CDBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894867268 619109890 /nfs/dbraw/zinc/10/98/90/619109890.db2.gz JDNRHMSJLYJXTF-PWSUYJOCSA-N 1 0 296.323 1.966 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@@H]2COCO2)cc1[N+](=O)[O-] ZINC000894871746 619112157 /nfs/dbraw/zinc/11/21/57/619112157.db2.gz WNNGSOXYSNYCLT-LLVKDONJSA-N 1 0 252.270 1.366 20 5 CDBDRO Cc1cnc(N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000895246641 619492306 /nfs/dbraw/zinc/49/23/06/619492306.db2.gz OOTRGYCENRVFSG-WCQYABFASA-N 1 0 293.371 1.344 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H]1CC[N@@H+]1C ZINC000895771262 619837607 /nfs/dbraw/zinc/83/76/07/619837607.db2.gz WUHAITCEOJBNCA-JTQLQIEISA-N 1 0 293.323 1.806 20 5 CDBDRO Cc1cccc([C@@H](C[NH2+]CC[N+](=O)[O-])N2CCOCC2)c1 ZINC000899869889 622496132 /nfs/dbraw/zinc/49/61/32/622496132.db2.gz JJIXORVCZSCAFU-OAHLLOKOSA-N 1 0 293.367 1.235 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000900385122 622964251 /nfs/dbraw/zinc/96/42/51/622964251.db2.gz VTTBPPNMAQVHDN-WDEREUQCSA-N 1 0 264.329 1.719 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000905051922 626387686 /nfs/dbraw/zinc/38/76/86/626387686.db2.gz JIMXYWHFHCHSRL-UHFFFAOYSA-N 1 0 278.230 1.951 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000905368450 626787170 /nfs/dbraw/zinc/78/71/70/626787170.db2.gz RFVNOZRSVMHWOR-JTQLQIEISA-N 1 0 262.668 1.379 20 5 CDBDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000905868295 627011125 /nfs/dbraw/zinc/01/11/25/627011125.db2.gz QYQDUSNKHMYLOG-JBLDHEPKSA-N 1 0 293.323 1.546 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911744409 629463223 /nfs/dbraw/zinc/46/32/23/629463223.db2.gz IYTLGAYYSHXTAB-ZWKOPEQDSA-N 1 0 277.324 1.552 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000153826585 631899983 /nfs/dbraw/zinc/89/99/83/631899983.db2.gz IPBCTCADBJAUJS-AOOOYVTPSA-N 1 0 292.339 1.308 20 5 CDBDRO CCOc1cc([N+](=O)[O-])ccc1NCC1C[NH+](C)C1 ZINC001170254536 1162326684 /nfs/dbraw/zinc/32/66/84/1162326684.db2.gz PKBXSALSVAIWKJ-UHFFFAOYSA-N 1 0 265.313 1.967 20 5 CDBDRO COc1ccc(C[C@@H](C)N2CC([NH3+])C2)c([N+](=O)[O-])c1 ZINC001170297706 1162327594 /nfs/dbraw/zinc/32/75/94/1162327594.db2.gz QTPDKNXUTMLJPI-SECBINFHSA-N 1 0 265.313 1.177 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]CC2(O)CC2)c([N+](=O)[O-])c1 ZINC001170300087 1162328348 /nfs/dbraw/zinc/32/83/48/1162328348.db2.gz WUGROBMZTIJJGH-SNVBAGLBSA-N 1 0 280.324 1.649 20 5 CDBDRO CN(CC[NH3+])CCNc1cc([N+](=O)[O-])ccc1Cl ZINC001170502321 1162664506 /nfs/dbraw/zinc/66/45/06/1162664506.db2.gz QMNQAHYPVNIGGH-UHFFFAOYSA-N 1 0 272.736 1.551 20 5 CDBDRO C[C@H](Nc1nc(Cl)ccc1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001170566064 1162932031 /nfs/dbraw/zinc/93/20/31/1162932031.db2.gz DMPHKLFAULFSIG-CBAPKCEASA-N 1 0 286.719 1.432 20 5 CDBDRO COc1cc(N[C@@H](C)[C@H]2C[NH2+]CCO2)cc([N+](=O)[O-])c1C ZINC001170574874 1162985276 /nfs/dbraw/zinc/98/52/76/1162985276.db2.gz UNAKVRSWKMEQAC-IINYFYTJSA-N 1 0 295.339 1.701 20 5 CDBDRO Nc1ccnc(NCC23CC[NH+](CC2)CC3)c1[N+](=O)[O-] ZINC001169795136 1162016558 /nfs/dbraw/zinc/01/65/58/1162016558.db2.gz IZNIPOPFVDPOHD-UHFFFAOYSA-N 1 0 277.328 1.470 20 5 CDBDRO Cc1nc(N[C@H]2C[NH2+]CC[C@H]2F)ccc1[N+](=O)[O-] ZINC001157445721 1162088732 /nfs/dbraw/zinc/08/87/32/1162088732.db2.gz NFTDRDOJYLWSDJ-BDAKNGLRSA-N 1 0 254.265 1.410 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[NH2+]C1CC1 ZINC000036262892 1165749678 /nfs/dbraw/zinc/74/96/78/1165749678.db2.gz DSDLBPXDUYSOIH-UHFFFAOYSA-N 1 0 277.324 1.775 20 5 CDBDRO CC[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)[C@H](CC)C[NH2+]1 ZINC001573721419 1170741282 /nfs/dbraw/zinc/74/12/82/1170741282.db2.gz DHSKFGUZUHBGPS-GHMZBOCLSA-N 1 0 279.344 1.660 20 5 CDBDRO [NH3+]CCNCc1c(Br)cccc1[N+](=O)[O-] ZINC001574280528 1170932384 /nfs/dbraw/zinc/93/23/84/1170932384.db2.gz YUSNVRGVNQPMIN-UHFFFAOYSA-N 1 0 274.118 1.406 20 5 CDBDRO O=[N+]([O-])c1ncccc1N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001580876733 1172558450 /nfs/dbraw/zinc/55/84/50/1172558450.db2.gz RFABWYQPRBEJMC-NSHDSACASA-N 1 0 292.339 1.560 20 5 CDBDRO C[NH2+]C1(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000312621297 1186701601 /nfs/dbraw/zinc/70/16/01/1186701601.db2.gz VCZPOJMLSKPTDP-UHFFFAOYSA-N 1 0 277.324 1.695 20 5 CDBDRO NC[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001246506413 1164245680 /nfs/dbraw/zinc/24/56/80/1164245680.db2.gz HCEYNTKAZLBHMB-KWCYVHTRSA-N 1 0 263.341 1.721 20 5 CDBDRO NC[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001246506409 1164245703 /nfs/dbraw/zinc/24/57/03/1164245703.db2.gz HCEYNTKAZLBHMB-FPMFFAJLSA-N 1 0 263.341 1.721 20 5 CDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001164640911 719214587 /nfs/dbraw/zinc/21/45/87/719214587.db2.gz UDCMXAGPVXAMLG-UWVGGRQHSA-N 1 0 289.339 2.000 20 5 CDBDRO CC(C)C[NH+]1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601100939 719330602 /nfs/dbraw/zinc/33/06/02/719330602.db2.gz QGJDJRMMNBEZDP-UHFFFAOYSA-N 1 0 282.319 1.907 20 5 CDBDRO CC[NH+](CC)C1CCN(c2ncc([N+](=O)[O-])cc2N)CC1 ZINC001165052854 722005396 /nfs/dbraw/zinc/00/53/96/722005396.db2.gz DTFUQTZUGYZFKE-UHFFFAOYSA-N 1 0 293.371 1.883 20 5 CDBDRO O=C(NCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702055810 736439715 /nfs/dbraw/zinc/43/97/15/736439715.db2.gz MYNPBPRFAONUEU-UHFFFAOYSA-N 1 0 283.715 1.730 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)N(C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000861601565 736455175 /nfs/dbraw/zinc/45/51/75/736455175.db2.gz AUPKAYCCWBYYAW-WDEREUQCSA-N 1 0 294.355 1.953 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000843503637 738447129 /nfs/dbraw/zinc/44/71/29/738447129.db2.gz LOZVMYWHKXZIMT-YUMQZZPRSA-N 1 0 296.283 1.359 20 5 CDBDRO COCC(C)(C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178859946 736631521 /nfs/dbraw/zinc/63/15/21/736631521.db2.gz KGDRUCQPYGFKLS-GFCCVEGCSA-N 1 0 268.313 1.643 20 5 CDBDRO O=C(NCC[NH+]1CCC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935045033 736691473 /nfs/dbraw/zinc/69/14/73/736691473.db2.gz DQMRMUPQEYCCAR-KGLIPLIRSA-N 1 0 289.335 1.520 20 5 CDBDRO Cc1cc(F)cc(C(=O)NCC(C)(C)[NH3+])c1[N+](=O)[O-] ZINC000160100355 736645349 /nfs/dbraw/zinc/64/53/49/736645349.db2.gz FSQAUAXJCLBQGB-UHFFFAOYSA-N 1 0 269.276 1.509 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NOCC[NH+](C)C ZINC000820996352 736771816 /nfs/dbraw/zinc/77/18/16/736771816.db2.gz GSFBIFICINHZSC-UHFFFAOYSA-N 1 0 299.352 1.540 20 5 CDBDRO Cc1cc(Cc2noc([C@@H](C)C[NH3+])n2)ccc1[N+](=O)[O-] ZINC000822863782 736781168 /nfs/dbraw/zinc/78/11/68/736781168.db2.gz UMDLJEKWFASLRG-VIFPVBQESA-N 1 0 276.296 1.939 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000825196725 736820843 /nfs/dbraw/zinc/82/08/43/736820843.db2.gz NLBMDZWGXQOCMV-VHSXEESVSA-N 1 0 292.339 1.343 20 5 CDBDRO CO[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000819127566 736864237 /nfs/dbraw/zinc/86/42/37/736864237.db2.gz IBWGMNOFIPPKFF-ZIAGYGMSSA-N 1 0 282.340 1.889 20 5 CDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886229342 736976842 /nfs/dbraw/zinc/97/68/42/736976842.db2.gz OFJDPNZIFQJXBN-VHSXEESVSA-N 1 0 251.286 1.239 20 5 CDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776597110 736901978 /nfs/dbraw/zinc/90/19/78/736901978.db2.gz HJIPJSSFBRMFFB-LALPHHSUSA-N 1 0 293.367 1.653 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CCS(=O)CC1 ZINC000050015652 737057155 /nfs/dbraw/zinc/05/71/55/737057155.db2.gz ZWNIVRZKDIBKGD-UHFFFAOYSA-N 1 0 268.338 1.596 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH2+]CC2)c1C ZINC000884005900 737085218 /nfs/dbraw/zinc/08/52/18/737085218.db2.gz YXPOGDYSSMWEPP-UHFFFAOYSA-N 1 0 277.324 1.693 20 5 CDBDRO C[NH+](C)C[C@@H](O)CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000788833816 737093310 /nfs/dbraw/zinc/09/33/10/737093310.db2.gz FRVYAPNSPVJNGH-NSHDSACASA-N 1 0 290.323 1.477 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000822634157 737120126 /nfs/dbraw/zinc/12/01/26/737120126.db2.gz DXIYYGSGASKLDY-RNFRBKRXSA-N 1 0 277.284 1.678 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)c1cc(N)ccc1[N+](=O)[O-] ZINC000817131730 737265785 /nfs/dbraw/zinc/26/57/85/737265785.db2.gz MOGNLXPEMCEGPV-LLVKDONJSA-N 1 0 264.329 1.707 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000420395339 737348871 /nfs/dbraw/zinc/34/88/71/737348871.db2.gz BNSCLHWQTOXCMZ-OAHLLOKOSA-N 1 0 291.351 1.931 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825068356 737320512 /nfs/dbraw/zinc/32/05/12/737320512.db2.gz OAQVECASXYMWOJ-QMMMGPOBSA-N 1 0 285.731 1.862 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000876518753 737480499 /nfs/dbraw/zinc/48/04/99/737480499.db2.gz YFYUNMGRKOEROE-NSHDSACASA-N 1 0 277.324 1.632 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000050241728 737674505 /nfs/dbraw/zinc/67/45/05/737674505.db2.gz HMLARFYMYBPUIY-QMMMGPOBSA-N 1 0 250.258 1.160 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCCCCC[NH3+] ZINC000225185730 737679225 /nfs/dbraw/zinc/67/92/25/737679225.db2.gz BDCJJNKAKNQKMB-UHFFFAOYSA-N 1 0 268.317 1.182 20 5 CDBDRO CC(C)NC(=O)CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158357414 737807654 /nfs/dbraw/zinc/80/76/54/737807654.db2.gz BJEHKYWSYAZEOF-CYBMUJFWSA-N 1 0 295.339 1.133 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CC[NH2+]C[C@H]1C(F)F ZINC000886837295 737812119 /nfs/dbraw/zinc/81/21/19/737812119.db2.gz DYLIDKVGABIHTH-VIFPVBQESA-N 1 0 272.255 1.029 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[NH2+][C@@H]1C ZINC000925488951 737814671 /nfs/dbraw/zinc/81/46/71/737814671.db2.gz HIYLRRVDNMWRNX-MFKMUULPSA-N 1 0 279.340 1.834 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000852888270 737970084 /nfs/dbraw/zinc/97/00/84/737970084.db2.gz IAXCRKBLWYMGLI-LLVKDONJSA-N 1 0 277.324 1.790 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886244834 737990853 /nfs/dbraw/zinc/99/08/53/737990853.db2.gz BFSZCIHEOMCKEM-ZRTOLTLLSA-N 1 0 292.335 1.472 20 5 CDBDRO COc1cc(C(=O)N2CC[C@@](C)([NH3+])C2)cc([N+](=O)[O-])c1C ZINC000868080153 738108491 /nfs/dbraw/zinc/10/84/91/738108491.db2.gz PBTXINYFEVNZHN-CQSZACIVSA-N 1 0 293.323 1.475 20 5 CDBDRO CC[N@H+](CCC(=O)NC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000933862477 738222537 /nfs/dbraw/zinc/22/25/37/738222537.db2.gz ZZGOINHQPMOZCH-UHFFFAOYSA-N 1 0 279.340 1.861 20 5 CDBDRO CO[C@@H]1C[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1O ZINC000877570926 738234243 /nfs/dbraw/zinc/23/42/43/738234243.db2.gz UGHJGAYFFGLYBD-ZIAGYGMSSA-N 1 0 280.324 1.403 20 5 CDBDRO C[C@@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1nncn1C ZINC000788586560 738266026 /nfs/dbraw/zinc/26/60/26/738266026.db2.gz DDERRIPWHSJCST-DTWKUNHWSA-N 1 0 290.327 1.717 20 5 CDBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000159851949 738310738 /nfs/dbraw/zinc/31/07/38/738310738.db2.gz RXFOKBXUSOUWFX-GFCCVEGCSA-N 1 0 281.287 1.543 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc([C@]3(F)CC[NH2+]C3)n2)s1 ZINC000843219178 738316112 /nfs/dbraw/zinc/31/61/12/738316112.db2.gz ZLEWIQKTKRUDOO-JTQLQIEISA-N 1 0 284.272 1.864 20 5 CDBDRO Nc1ccc(OCCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000818618542 738540532 /nfs/dbraw/zinc/54/05/32/738540532.db2.gz QSLSOJJNGRKTQW-UHFFFAOYSA-N 1 0 265.313 1.946 20 5 CDBDRO O=C1NCC2(CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000781999562 738693631 /nfs/dbraw/zinc/69/36/31/738693631.db2.gz VAGXTQUVVLXZJB-UHFFFAOYSA-N 1 0 291.307 1.669 20 5 CDBDRO [NH3+]C1CCC(NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000051692742 738798065 /nfs/dbraw/zinc/79/80/65/738798065.db2.gz MBPYNCSLTSCVEJ-UHFFFAOYSA-N 1 0 281.287 1.734 20 5 CDBDRO C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)C1C[NH2+]C1 ZINC000817907700 738842477 /nfs/dbraw/zinc/84/24/77/738842477.db2.gz QTGJZOJILTTYFJ-MRVPVSSYSA-N 1 0 269.732 1.946 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823310414 738849567 /nfs/dbraw/zinc/84/95/67/738849567.db2.gz MKZYMVXWTYQQBI-SNVBAGLBSA-N 1 0 257.334 1.032 20 5 CDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826063310 738861823 /nfs/dbraw/zinc/86/18/23/738861823.db2.gz JYGRLSPCUOYJDX-NEPJUHHUSA-N 1 0 285.388 1.621 20 5 CDBDRO COC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776583123 738864233 /nfs/dbraw/zinc/86/42/33/738864233.db2.gz XCBPVRKSEDJGJA-IUODEOHRSA-N 1 0 294.351 1.987 20 5 CDBDRO CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839733252 738883493 /nfs/dbraw/zinc/88/34/93/738883493.db2.gz JDXUUFORMWMRRN-VXGBXAGGSA-N 1 0 271.361 1.232 20 5 CDBDRO [NH3+][C@]12CCC[C@@H]1CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000923398001 739196156 /nfs/dbraw/zinc/19/61/56/739196156.db2.gz IDYTZHNIZOEWNZ-SNPRPXQTSA-N 1 0 291.351 1.441 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000804444021 739091728 /nfs/dbraw/zinc/09/17/28/739091728.db2.gz SOWIUXYCJWPNPL-JTQLQIEISA-N 1 0 264.329 1.931 20 5 CDBDRO CN(CC[N+](=O)[O-])Cc1ccc(C[NH+](C)C)cc1 ZINC000930117166 738931268 /nfs/dbraw/zinc/93/12/68/738931268.db2.gz IGONMBVXTKZPDW-UHFFFAOYSA-N 1 0 251.330 1.457 20 5 CDBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000886083205 736420446 /nfs/dbraw/zinc/42/04/46/736420446.db2.gz HRGFPFAROIGYJO-UHFFFAOYSA-N 1 0 265.313 1.727 20 5 CDBDRO Nc1ccc(NC[C@@H]2CCC[N@@H+]2CCCO)c([N+](=O)[O-])c1 ZINC000828422994 736432121 /nfs/dbraw/zinc/43/21/21/736432121.db2.gz SQFIRZFGDXGQCY-LBPRGKRZSA-N 1 0 294.355 1.436 20 5 CDBDRO C[C@@H](N[C@@H](C[NH3+])C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817959740 736444187 /nfs/dbraw/zinc/44/41/87/736444187.db2.gz IBRQXXBMRTWSMK-PELKAZGASA-N 1 0 264.329 1.565 20 5 CDBDRO CC(C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001035187196 736474204 /nfs/dbraw/zinc/47/42/04/736474204.db2.gz POTWZQHZQOZQTG-CHWSQXEVSA-N 1 0 295.383 1.375 20 5 CDBDRO COC(=O)CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818940644 736521213 /nfs/dbraw/zinc/52/12/13/736521213.db2.gz AUJWZARBOZCHQY-LBPRGKRZSA-N 1 0 282.296 1.171 20 5 CDBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886243077 736617403 /nfs/dbraw/zinc/61/74/03/736617403.db2.gz NNKBCPDCCVJYEK-MNOVXSKESA-N 1 0 251.286 1.647 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000876791949 736799199 /nfs/dbraw/zinc/79/91/99/736799199.db2.gz QMJGLNNQVWLJCE-LLVKDONJSA-N 1 0 277.324 1.679 20 5 CDBDRO [NH3+][C@]12CCC[C@H]1CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000923398000 736918794 /nfs/dbraw/zinc/91/87/94/736918794.db2.gz IDYTZHNIZOEWNZ-QEJZJMRPSA-N 1 0 291.351 1.441 20 5 CDBDRO CO[C@@H](C[NH3+])CC(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000843495458 736939367 /nfs/dbraw/zinc/93/93/67/736939367.db2.gz RVNRBIDIWBVCKE-LLVKDONJSA-N 1 0 293.323 1.156 20 5 CDBDRO O=[N+]([O-])c1cc(CO)c(N[C@@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000865465836 736939460 /nfs/dbraw/zinc/93/94/60/736939460.db2.gz KYIKOWFKAYJERB-SNVBAGLBSA-N 1 0 295.314 1.875 20 5 CDBDRO C[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000923288398 737027387 /nfs/dbraw/zinc/02/73/87/737027387.db2.gz JJBURGXHGIMWRR-KCPJHIHWSA-N 1 0 293.367 1.687 20 5 CDBDRO C[NH2+]C[C@H](C)c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000843169335 737047407 /nfs/dbraw/zinc/04/74/07/737047407.db2.gz CECFVRKUSQINEZ-ZETCQYMHSA-N 1 0 277.284 1.550 20 5 CDBDRO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1cccnc1[N+](=O)[O-])C2 ZINC000886221090 737138048 /nfs/dbraw/zinc/13/80/48/737138048.db2.gz SPMVIFHKTJJXOE-HNNXBMFYSA-N 1 0 290.367 1.908 20 5 CDBDRO C[C@@H]([NH3+])CN(C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000863653108 737354056 /nfs/dbraw/zinc/35/40/56/737354056.db2.gz CCVVLDYASKVNAJ-MRVPVSSYSA-N 1 0 289.282 1.975 20 5 CDBDRO C[NH+](C)CC1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000854724664 737491630 /nfs/dbraw/zinc/49/16/30/737491630.db2.gz YFCHKEXHPCXBJC-VMPITWQZSA-N 1 0 289.335 1.628 20 5 CDBDRO C[C@@H]([NH3+])CN(C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000861562388 737551638 /nfs/dbraw/zinc/55/16/38/737551638.db2.gz PUPSAIXMKYTIMS-ZJUUUORDSA-N 1 0 280.328 1.644 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CCCC[C@@H]1CCO ZINC000885985290 737594489 /nfs/dbraw/zinc/59/44/89/737594489.db2.gz DJEBIJIFRDMQCW-GFCCVEGCSA-N 1 0 265.313 1.727 20 5 CDBDRO CCC(CC)C[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001042711572 737843393 /nfs/dbraw/zinc/84/33/93/737843393.db2.gz XEQZRHXHOSVLCM-CHWSQXEVSA-N 1 0 283.372 1.230 20 5 CDBDRO CCN(CC[NH3+])C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000311451154 738088139 /nfs/dbraw/zinc/08/81/39/738088139.db2.gz YQWGGSMZFQUNNW-YVMONPNESA-N 1 0 263.297 1.415 20 5 CDBDRO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000839697972 738097361 /nfs/dbraw/zinc/09/73/61/738097361.db2.gz LGVSABJJSNFXCH-CHWSQXEVSA-N 1 0 295.314 1.039 20 5 CDBDRO COC(=O)[C@H]1C[C@@H](N(C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886286028 738229948 /nfs/dbraw/zinc/22/99/48/738229948.db2.gz ZLYQUVBPRJXFNV-PHIMTYICSA-N 1 0 279.296 1.373 20 5 CDBDRO C[C@@H]([NH3+])CN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000863567053 738244342 /nfs/dbraw/zinc/24/43/42/738244342.db2.gz BGYDMOAMLINTAE-SECBINFHSA-N 1 0 298.318 1.342 20 5 CDBDRO CC[C@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1O ZINC000886094712 739013510 /nfs/dbraw/zinc/01/35/10/739013510.db2.gz XVFLGXCMOUMYRN-ONGXEEELSA-N 1 0 251.286 1.193 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)OCC[C@H]1CCCC[N@@H+]1C ZINC000863851097 739025342 /nfs/dbraw/zinc/02/53/42/739025342.db2.gz IUJRMLPHXBCREU-LLVKDONJSA-N 1 0 295.339 1.965 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000814937974 739075830 /nfs/dbraw/zinc/07/58/30/739075830.db2.gz FCOGAQPLBHSJQP-LLVKDONJSA-N 1 0 289.339 1.773 20 5 CDBDRO C[C@H]([NH3+])c1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000881277722 739229120 /nfs/dbraw/zinc/22/91/20/739229120.db2.gz KCZMTHIDLMTKHP-IUCAKERBSA-N 1 0 261.285 1.815 20 5 CDBDRO COCCN(C)C(=[NH2+])NCCc1ccc([N+](=O)[O-])cc1 ZINC000871603817 1165319331 /nfs/dbraw/zinc/31/93/31/1165319331.db2.gz JBHSJOCCHMSBIB-UHFFFAOYSA-N 1 0 280.328 1.240 20 5 CDBDRO C[C@H]([NH3+])CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000877101666 1165975106 /nfs/dbraw/zinc/97/51/06/1165975106.db2.gz OXCBHQWPWFCQRC-QMMMGPOBSA-N 1 0 285.731 1.596 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@@]23CCC[C@@H]2[NH2+]CC3)n1 ZINC001155404198 1167160696 /nfs/dbraw/zinc/16/06/96/1167160696.db2.gz ZRPJQJDAVKEYBM-TVQRCGJNSA-N 1 0 293.327 1.398 20 5 CDBDRO COC(=O)[C@@H]1C[C@@H]1C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220834 912304610 /nfs/dbraw/zinc/30/46/10/912304610.db2.gz HEWBFVQULGYANU-ZKYQVNSYSA-N 1 0 292.335 1.925 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(O)CC1 ZINC001173210642 912331602 /nfs/dbraw/zinc/33/16/02/912331602.db2.gz MFQZMSZHFIUUDY-SNVBAGLBSA-N 1 0 250.298 1.640 20 5 CDBDRO C[NH2+]CCNc1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001167721914 899294217 /nfs/dbraw/zinc/29/42/17/899294217.db2.gz UWBHSTABCINMDY-UHFFFAOYSA-N 1 0 271.708 1.547 20 5 CDBDRO [NH3+]CCc1ccn(-c2ccc3nc[nH]c3c2[N+](=O)[O-])n1 ZINC001167731761 899514949 /nfs/dbraw/zinc/51/49/49/899514949.db2.gz UTMGBKZNUYRFSF-UHFFFAOYSA-N 1 0 272.268 1.158 20 5 CDBDRO Cc1ccccc1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001204661257 900984639 /nfs/dbraw/zinc/98/46/39/900984639.db2.gz PVYKFSWSQBBVET-CQSZACIVSA-N 1 0 266.361 1.495 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CC1(O)CC1)CC2 ZINC001172895542 912051525 /nfs/dbraw/zinc/05/15/25/912051525.db2.gz FIGFASLKYRRGGX-CYBMUJFWSA-N 1 0 276.336 1.957 20 5 CDBDRO CN1CCN(C(=[NH2+])Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC001168736927 921889187 /nfs/dbraw/zinc/88/91/87/921889187.db2.gz MNZQCDBMRYBLKL-UHFFFAOYSA-N 1 0 297.746 1.842 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC001118205066 923924924 /nfs/dbraw/zinc/92/49/24/923924924.db2.gz HKPVXJNBFLDWSJ-RKDXNWHRSA-N 1 0 280.328 1.492 20 5 CDBDRO C[NH+](C)C1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)C1 ZINC001163933793 924406165 /nfs/dbraw/zinc/40/61/65/924406165.db2.gz PMZLAPRXTYITTK-UHFFFAOYSA-N 1 0 273.296 1.288 20 5 CDBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccco1 ZINC000839762654 936924077 /nfs/dbraw/zinc/92/40/77/936924077.db2.gz FBPZRPJTHJMYTA-WISYIIOYSA-N 1 0 295.339 1.490 20 5 CDBDRO CN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)CC[NH+](C)C ZINC001101926897 937028657 /nfs/dbraw/zinc/02/86/57/937028657.db2.gz DEVRPDZNONVWFM-UHFFFAOYSA-N 1 0 294.355 1.417 20 5 CDBDRO COc1nc(NC[C@@]2(F)CCCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001155114956 926544368 /nfs/dbraw/zinc/54/43/68/926544368.db2.gz IQWUTUUOZFPTCL-GFCCVEGCSA-N 1 0 299.306 1.287 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1COCCO1 ZINC000850426573 927429113 /nfs/dbraw/zinc/42/91/13/927429113.db2.gz WNWXJMPLBVOAKI-PWSUYJOCSA-N 1 0 296.323 1.669 20 5 CDBDRO CON(C)CC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000850480841 927435294 /nfs/dbraw/zinc/43/52/94/927435294.db2.gz VQDQHCXHWGCGDH-LBPRGKRZSA-N 1 0 281.356 1.999 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(-n2cc3c(n2)CC[C@H]([NH3+])C3)n1 ZINC001168804555 927460802 /nfs/dbraw/zinc/46/08/02/927460802.db2.gz QXVAJBNPRZXKPG-VIFPVBQESA-N 1 0 289.295 1.000 20 5 CDBDRO [NH3+]Cc1ccc2ncn(-c3ncccc3[N+](=O)[O-])c2c1 ZINC001168843714 927487412 /nfs/dbraw/zinc/48/74/12/927487412.db2.gz DKIBNFFPILALNL-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2cccnc2)C1 ZINC001168979163 927566265 /nfs/dbraw/zinc/56/62/65/927566265.db2.gz WQYJHAVSGLDDBH-RAIGVLPGSA-N 1 0 265.313 1.150 20 5 CDBDRO O=C1NCc2ccccc2[C@@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168981303 927568136 /nfs/dbraw/zinc/56/81/36/927568136.db2.gz HGFZXZFDSHMAHU-JKOKRWQUSA-N 1 0 289.335 1.393 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C1 ZINC001168956319 927576733 /nfs/dbraw/zinc/57/67/33/927576733.db2.gz DKTZCXOPZBWTTE-SWHYSGLUSA-N 1 0 282.315 1.894 20 5 CDBDRO C[C@@]1(O)CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168960617 927581396 /nfs/dbraw/zinc/58/13/96/927581396.db2.gz FSDDBPPQPJNWCH-ZDEQEGDKSA-N 1 0 256.346 1.715 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC001168965329 927588670 /nfs/dbraw/zinc/58/86/70/927588670.db2.gz ZUJDBGBWQXHOEX-CHWSQXEVSA-N 1 0 256.346 1.838 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2(F)CCOCC2)C1 ZINC001168969085 927591456 /nfs/dbraw/zinc/59/14/56/927591456.db2.gz BYONNBVLWHTWHJ-QWRGUYRKSA-N 1 0 260.309 1.540 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)C1 ZINC001168969102 927591704 /nfs/dbraw/zinc/59/17/04/927591704.db2.gz CBYVRGHYTJPDJD-ZDEQEGDKSA-N 1 0 256.346 1.573 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccncc2F)C1 ZINC001168970203 927594708 /nfs/dbraw/zinc/59/47/08/927594708.db2.gz GUZBVKRFJXVWPS-ONGXEEELSA-N 1 0 253.277 1.756 20 5 CDBDRO CSCC[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)(C)O ZINC001168972397 927597181 /nfs/dbraw/zinc/59/71/81/927597181.db2.gz MTYHPEFRZROBTF-QJPTWQEYSA-N 1 0 290.429 1.914 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2(c3cnccn3)CC2)C1 ZINC001168992493 927600525 /nfs/dbraw/zinc/60/05/25/927600525.db2.gz KCKJXCJADTUZDX-VXGBXAGGSA-N 1 0 276.340 1.543 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](CO)c2ccccc2F)C1 ZINC001168997212 927603521 /nfs/dbraw/zinc/60/35/21/927603521.db2.gz BXNYHNIOZNBGSC-JTNHKYCSSA-N 1 0 282.315 1.894 20 5 CDBDRO O=C1Nc2ccccc2[C@@H]1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169001701 927606631 /nfs/dbraw/zinc/60/66/31/927606631.db2.gz HPPRVLJFHULFFI-MDZLAQPJSA-N 1 0 289.335 1.757 20 5 CDBDRO CCCC[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(N)=O ZINC001169004928 927608351 /nfs/dbraw/zinc/60/83/51/927608351.db2.gz SFESRXQRVLGJHI-VWYCJHECSA-N 1 0 257.334 1.066 20 5 CDBDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@H]1O ZINC001169006167 927609306 /nfs/dbraw/zinc/60/93/06/927609306.db2.gz FPLRALPCMXCJGD-FDYHWXHSSA-N 1 0 256.346 1.525 20 5 CDBDRO C[N@H+](Cc1ncccn1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169008071 927611475 /nfs/dbraw/zinc/61/14/75/927611475.db2.gz RKJOHHCILYGVNQ-GHMZBOCLSA-N 1 0 250.302 1.354 20 5 CDBDRO Cn1cc(C[N@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001169008210 927614706 /nfs/dbraw/zinc/61/47/06/927614706.db2.gz RZCBQSZAFGEDEF-ZYHUDNBSSA-N 1 0 252.318 1.297 20 5 CDBDRO COC(=O)[C@]1(F)CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169009868 927614750 /nfs/dbraw/zinc/61/47/50/927614750.db2.gz YOXYHRPTZIKUIG-UMNHJUIQSA-N 1 0 274.292 1.019 20 5 CDBDRO Cn1cc(C[N@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001169008207 927614855 /nfs/dbraw/zinc/61/48/55/927614855.db2.gz RZCBQSZAFGEDEF-CMPLNLGQSA-N 1 0 252.318 1.297 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(CCOC3)C2)C1 ZINC001169010610 927617150 /nfs/dbraw/zinc/61/71/50/927617150.db2.gz FDPYJUQYZAYGMO-HZSPNIEDSA-N 1 0 268.357 1.934 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CC3(C2)CCCCO3)C1 ZINC001169012861 927620041 /nfs/dbraw/zinc/62/00/41/927620041.db2.gz SJJHYZZFIPERHR-NWDGAFQWSA-N 1 0 254.330 1.687 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC001169013069 927620559 /nfs/dbraw/zinc/62/05/59/927620559.db2.gz TWYYJIAROFHHRT-UTLUCORTSA-N 1 0 282.262 1.431 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]3CCO[C@H]3C2)C1 ZINC001169013971 927620854 /nfs/dbraw/zinc/62/08/54/927620854.db2.gz XAXMGDFGWLFTKI-LPWJVIDDSA-N 1 0 254.330 1.543 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCN2CCC(F)(F)C2)C1 ZINC001168990247 927628676 /nfs/dbraw/zinc/62/86/76/927628676.db2.gz ZBEOQZNHHXIHNI-GHMZBOCLSA-N 1 0 277.315 1.362 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](n3cncn3)C2)C1 ZINC001169034201 927641207 /nfs/dbraw/zinc/64/12/07/927641207.db2.gz FXEPGWYDTKJOGP-JHJVBQTASA-N 1 0 279.344 1.360 20 5 CDBDRO CC(C)[C@@H]1COCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169033292 927642276 /nfs/dbraw/zinc/64/22/76/927642276.db2.gz BSDNSWHOFIBNET-UPJWGTAASA-N 1 0 256.346 1.789 20 5 CDBDRO CC1(C)C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169036727 927647444 /nfs/dbraw/zinc/64/74/44/927647444.db2.gz PVAUHXTYDALJKX-MNOVXSKESA-N 1 0 254.330 1.733 20 5 CDBDRO Cc1nc2c(n1[C@H]1CC[C@@H](C[N+](=O)[O-])C1)C[NH2+]CC2 ZINC001169039907 927652644 /nfs/dbraw/zinc/65/26/44/927652644.db2.gz VQFRNHNJNLSGFQ-MNOVXSKESA-N 1 0 264.329 1.455 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3COC[C@@H]3C2)C1 ZINC001169040087 927653694 /nfs/dbraw/zinc/65/36/94/927653694.db2.gz XSMNURVRLUWRBK-MROQNXINSA-N 1 0 254.330 1.400 20 5 CDBDRO O=c1ccc2c([nH]1)CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169040381 927654110 /nfs/dbraw/zinc/65/41/10/927654110.db2.gz ZMVFPBHTQKFSDA-YPMHNXCESA-N 1 0 291.351 1.633 20 5 CDBDRO CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169019155 927659128 /nfs/dbraw/zinc/65/91/28/927659128.db2.gz FABWJLSHXQUTFB-YVECIDJPSA-N 1 0 281.356 1.127 20 5 CDBDRO CN1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169050042 927669826 /nfs/dbraw/zinc/66/98/26/927669826.db2.gz YJYAOKYRLOILGR-DGAVXFQQSA-N 1 0 267.373 1.458 20 5 CDBDRO CC(C)N1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1C ZINC001169053558 927671108 /nfs/dbraw/zinc/67/11/08/927671108.db2.gz IOWWBRKZZGARIM-MJBXVCDLSA-N 1 0 269.389 1.846 20 5 CDBDRO C[C@H]([NH3+])c1ccn(-c2ccc([N+](=O)[O-])c3c2CNC3=O)n1 ZINC001169234826 927854004 /nfs/dbraw/zinc/85/40/04/927854004.db2.gz KRJCUNMCVXVIBQ-ZETCQYMHSA-N 1 0 287.279 1.044 20 5 CDBDRO [NH3+]Cc1cccn1-c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001156723939 928947861 /nfs/dbraw/zinc/94/78/61/928947861.db2.gz OTYRZYIETIKBRF-UHFFFAOYSA-N 1 0 252.661 1.893 20 5 CDBDRO O=[N+]([O-])c1cc(NC[C@H]2COCC[NH2+]2)cc2cc[nH]c21 ZINC001170045685 929141792 /nfs/dbraw/zinc/14/17/92/929141792.db2.gz UOGHQUJVZZRGBT-NSHDSACASA-N 1 0 276.296 1.476 20 5 CDBDRO CN(c1ncnc2[nH]cc([N+](=O)[O-])c21)C(C)(C)C[NH3+] ZINC001170052185 929187838 /nfs/dbraw/zinc/18/78/38/929187838.db2.gz BGDXYVDQJHEDTR-UHFFFAOYSA-N 1 0 264.289 1.040 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(N[C@@H]2C[NH2+]C[C@@H]2CO)c1F ZINC001170781943 929972394 /nfs/dbraw/zinc/97/23/94/929972394.db2.gz LFPPLYZCXSUNFC-LDYMZIIASA-N 1 0 269.276 1.035 20 5 CDBDRO CC[C@](N)(CO)Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC001170863800 930517431 /nfs/dbraw/zinc/51/74/31/930517431.db2.gz FDSMXLGLHFSJGS-SECBINFHSA-N 1 0 260.681 1.112 20 5 CDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1NCC(C)(C)[NH3+] ZINC001171192646 931850962 /nfs/dbraw/zinc/85/09/62/931850962.db2.gz IYIPOKMHEZQMEU-UHFFFAOYSA-N 1 0 281.312 1.921 20 5 CDBDRO [NH3+]Cc1cn(-c2nccc(Cl)c2[N+](=O)[O-])cn1 ZINC001154906270 937602411 /nfs/dbraw/zinc/60/24/11/937602411.db2.gz ZWPUYRJFWCZTLZ-UHFFFAOYSA-N 1 0 253.649 1.288 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](Nc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C1 ZINC001154986064 937617075 /nfs/dbraw/zinc/61/70/75/937617075.db2.gz QVROCZZWVASYAL-SFYZADRCSA-N 1 0 286.719 1.563 20 5 CDBDRO CC1(C)CNC(=O)[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925641327 932919568 /nfs/dbraw/zinc/91/95/68/932919568.db2.gz MVTGMTMQXBXIKU-LBPRGKRZSA-N 1 0 277.324 1.252 20 5 CDBDRO COc1cnc(N[C@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001155663164 937661575 /nfs/dbraw/zinc/66/15/75/937661575.db2.gz YAQCHUSAMHHVCJ-NSHDSACASA-N 1 0 278.312 1.505 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC001119969775 937769104 /nfs/dbraw/zinc/76/91/04/937769104.db2.gz XNBWNVBFTUGDFB-GXSJLCMTSA-N 1 0 278.312 1.139 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000093097722 934905427 /nfs/dbraw/zinc/90/54/27/934905427.db2.gz ITBOPKXGBUBYOB-QWRGUYRKSA-N 1 0 281.743 1.899 20 5 CDBDRO CN(c1cc([N+](=O)[O-])cc(Cl)n1)C1CC[NH2+]CC1 ZINC001156169661 938327160 /nfs/dbraw/zinc/32/71/60/938327160.db2.gz LJRHXLQTODYAKV-UHFFFAOYSA-N 1 0 270.720 1.831 20 5 CDBDRO [NH3+]CCc1nccn1-c1nccc2cc([N+](=O)[O-])ccc21 ZINC001156483725 938373964 /nfs/dbraw/zinc/37/39/64/938373964.db2.gz YWXVVFGCVPOQAA-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO C[N@@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C(C)(C)C1 ZINC001156597658 938391570 /nfs/dbraw/zinc/39/15/70/938391570.db2.gz KSYXDNYUQUDHPO-LBPRGKRZSA-N 1 0 292.339 1.247 20 5 CDBDRO [NH3+]CCc1ccn(-c2nccc(Cl)c2[N+](=O)[O-])n1 ZINC001156898482 938431473 /nfs/dbraw/zinc/43/14/73/938431473.db2.gz NSECUQAAKVVUMG-UHFFFAOYSA-N 1 0 267.676 1.330 20 5 CDBDRO [NH3+]Cc1cnn(-c2ncc([N+](=O)[O-])cc2Cl)c1 ZINC001157472068 938492124 /nfs/dbraw/zinc/49/21/24/938492124.db2.gz VISVWWNEUSUNJS-UHFFFAOYSA-N 1 0 253.649 1.288 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH3+])[C@H]2C)n1 ZINC001157746911 938539924 /nfs/dbraw/zinc/53/99/24/938539924.db2.gz OJMHDNMKEGDNRN-BDAKNGLRSA-N 1 0 294.311 1.092 20 5 CDBDRO [NH3+]Cc1nnnn1-c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001158080536 938580744 /nfs/dbraw/zinc/58/07/44/938580744.db2.gz RNODLFYBSBXWGJ-UHFFFAOYSA-N 1 0 297.278 1.091 20 5 CDBDRO C[C@@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)C[C@H](C)[NH2+]1 ZINC001158177835 938591467 /nfs/dbraw/zinc/59/14/67/938591467.db2.gz WHKRGTZDJKENFB-AOOOYVTPSA-N 1 0 287.323 1.725 20 5 CDBDRO C[C@@]1(C[NH3+])CCCN(c2cc([N+](=O)[O-])ccn2)C1 ZINC001158673897 938648907 /nfs/dbraw/zinc/64/89/07/938648907.db2.gz OETNNALCUUMRFD-LBPRGKRZSA-N 1 0 250.302 1.555 20 5 CDBDRO CN(C)/C=C/c1cc(N(C)C(C)(C)C[NH3+])ncc1[N+](=O)[O-] ZINC001159055188 938698166 /nfs/dbraw/zinc/69/81/66/938698166.db2.gz HAGRTOGPAWVQKK-VOTSOKGWSA-N 1 0 293.371 1.696 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001159744486 938749374 /nfs/dbraw/zinc/74/93/74/938749374.db2.gz XDJKDDJNBVGJRU-CYBMUJFWSA-N 1 0 276.296 1.612 20 5 CDBDRO C[NH+](C)CCCCNc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001161724788 938926381 /nfs/dbraw/zinc/92/63/81/938926381.db2.gz PJHKRQFWPUZHKT-UHFFFAOYSA-N 1 0 288.735 1.635 20 5 CDBDRO Cc1c[n+]([O-])c(NCCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC001161724224 938926409 /nfs/dbraw/zinc/92/64/09/938926409.db2.gz BIZJJGDSZQPTPZ-UHFFFAOYSA-N 1 0 268.317 1.290 20 5 CDBDRO C[N@@H+]1CCC[C@](C)(Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001162340568 939030560 /nfs/dbraw/zinc/03/05/60/939030560.db2.gz FFVUMHVRJHNALZ-LBPRGKRZSA-N 1 0 295.299 1.794 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](Nc2cc([N+](=O)[O-])c3nncn3c2)C1 ZINC001162399522 939045216 /nfs/dbraw/zinc/04/52/16/939045216.db2.gz BLMYYTFEGKSXJZ-RKDXNWHRSA-N 1 0 276.300 1.319 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001162404958 939046833 /nfs/dbraw/zinc/04/68/33/939046833.db2.gz RUIQLEMNFGEFSK-RKDXNWHRSA-N 1 0 294.311 1.458 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1Nc1ccc(C[NH3+])c(F)c1 ZINC001162528957 939078650 /nfs/dbraw/zinc/07/86/50/939078650.db2.gz QZCYQGRCBZHHRT-UHFFFAOYSA-N 1 0 277.259 1.913 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1cc2c(c([N+](=O)[O-])c1)NN(C)C2 ZINC001162680645 939114437 /nfs/dbraw/zinc/11/44/37/939114437.db2.gz OJQGHDUHPONXEJ-LDYMZIIASA-N 1 0 277.328 1.529 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)nc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)c1 ZINC001162789967 939139858 /nfs/dbraw/zinc/13/98/58/939139858.db2.gz OXOLOPZAMOTQAR-SZEHBUNVSA-N 1 0 280.715 1.829 20 5 CDBDRO Cc1ccnc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)c1[N+](=O)[O-] ZINC001162792212 939141130 /nfs/dbraw/zinc/14/11/30/939141130.db2.gz GIJRCDMLHJSCCG-GMTAPVOTSA-N 1 0 260.297 1.484 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC001162794564 939142420 /nfs/dbraw/zinc/14/24/20/939142420.db2.gz PYBZKHLFFDGJAI-UJNFCWOMSA-N 1 0 291.267 1.084 20 5 CDBDRO [NH3+][C@H]1COC[C@H]1Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001162925998 939162183 /nfs/dbraw/zinc/16/21/83/939162183.db2.gz HHAUHYNJNFFSMG-WCQYABFASA-N 1 0 273.292 1.886 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(N[C@H]2COCCC23C[NH2+]C3)c1F ZINC001163079469 939192536 /nfs/dbraw/zinc/19/25/36/939192536.db2.gz ODNLOTUYAHPSFN-LBPRGKRZSA-N 1 0 295.314 1.833 20 5 CDBDRO O=[N+]([O-])c1ncccc1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001163088524 939196432 /nfs/dbraw/zinc/19/64/32/939196432.db2.gz FCIAZAPCJFWOOO-SNVBAGLBSA-N 1 0 278.312 1.170 20 5 CDBDRO Cc1cc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC001163313511 939244983 /nfs/dbraw/zinc/24/49/83/939244983.db2.gz BQLDYRVTWNQLJD-BXUZGUMPSA-N 1 0 292.339 1.621 20 5 CDBDRO C[NH2+]C1CN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])C1 ZINC001163701645 939310819 /nfs/dbraw/zinc/31/08/19/939310819.db2.gz OJHAURZJTZUKTF-UHFFFAOYSA-N 1 0 293.714 1.599 20 5 CDBDRO CC(C)(C)c1cnc(N2CC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001164279425 939444942 /nfs/dbraw/zinc/44/49/42/939444942.db2.gz QZGUUGZXMLCOKP-JTQLQIEISA-N 1 0 264.329 1.825 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CCNc2c[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001165278953 939539909 /nfs/dbraw/zinc/53/99/09/939539909.db2.gz OEOYZDNPLIFFRV-NSHDSACASA-N 1 0 280.328 1.372 20 5 CDBDRO [NH3+][C@@]12C[C@@H]1CCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)C2 ZINC001165327302 939545891 /nfs/dbraw/zinc/54/58/91/939545891.db2.gz MKFFZWAGMGBCGP-ISVAXAHUSA-N 1 0 273.296 1.399 20 5 CDBDRO [NH3+][C@@H]1CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])C[C@@H]1F ZINC001166928791 939651059 /nfs/dbraw/zinc/65/10/59/939651059.db2.gz QPMDCZDYPQJMHP-IUYQGCFVSA-N 1 0 296.089 1.177 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCC(=O)Oc1ccccc1 ZINC001209955471 940653587 /nfs/dbraw/zinc/65/35/87/940653587.db2.gz RNICOFDVCFKIQC-LBPRGKRZSA-N 1 0 252.334 1.703 20 5 CDBDRO Cc1cnc(NCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000166906281 940671203 /nfs/dbraw/zinc/67/12/03/940671203.db2.gz MKZNSDCRPWLKLI-SNVBAGLBSA-N 1 0 250.302 1.852 20 5 CDBDRO [NH3+]CC1CC(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001211449709 940755314 /nfs/dbraw/zinc/75/53/14/940755314.db2.gz LOQHJJJKXIFMOR-UHFFFAOYSA-N 1 0 293.258 1.631 20 5 CDBDRO COC(=O)c1c(CO[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC001217859343 941024519 /nfs/dbraw/zinc/02/45/19/941024519.db2.gz DHLCCQQBEQEOMB-LLVKDONJSA-N 1 0 294.307 1.650 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C)OC[C@H]1CCC[NH2+]C1 ZINC001217872846 941025663 /nfs/dbraw/zinc/02/56/63/941025663.db2.gz VRUAMJRPQSQNEF-JQWIXIFHSA-N 1 0 282.344 1.504 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@@H](C)C[NH+](C)C ZINC001223448333 941678502 /nfs/dbraw/zinc/67/85/02/941678502.db2.gz JURORCBRVYBPFR-JTQLQIEISA-N 1 0 296.323 1.848 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOCc2ccc([N+](=O)[O-])nc2)C1 ZINC001224112213 941721448 /nfs/dbraw/zinc/72/14/48/941721448.db2.gz AQLPQGNGNOHZHL-GFCCVEGCSA-N 1 0 281.312 1.227 20 5 CDBDRO COC(=O)c1ncc2n1CCC[C@@H]2OCCC[N+](C)(C)C ZINC001224620797 941777351 /nfs/dbraw/zinc/77/73/51/941777351.db2.gz DVEJZVHCVFPQEL-ZDUSSCGKSA-N 1 0 296.391 1.618 20 5 CDBDRO COC[C@H](C)OC[C@H](C)OC[C@H](C)OCC[N+](C)(C)C ZINC001224771956 941789974 /nfs/dbraw/zinc/78/99/74/941789974.db2.gz VBGMYFMUGAMWEW-KKUMJFAQSA-N 1 0 292.440 1.554 20 5 CDBDRO COC(=O)c1cncc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001226319618 941985304 /nfs/dbraw/zinc/98/53/04/941985304.db2.gz HAXJFCQFLFDTTC-SNVBAGLBSA-N 1 0 253.322 1.342 20 5 CDBDRO CC(C)[NH+]1CCC(Oc2ncc([N+](=O)[O-])cn2)CC1 ZINC001226730921 942058709 /nfs/dbraw/zinc/05/87/09/942058709.db2.gz JFOQNNSBOWHTIT-UHFFFAOYSA-N 1 0 266.301 1.636 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOc2ncc(F)cc2[N+](=O)[O-])C1 ZINC001226751704 942063370 /nfs/dbraw/zinc/06/33/70/942063370.db2.gz PSGUKYGSLFGCBS-SNVBAGLBSA-N 1 0 285.275 1.228 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(O[C@H]2C[C@@H]3CC(=O)C[C@H]2N3C)n1 ZINC001227062592 942124435 /nfs/dbraw/zinc/12/44/35/942124435.db2.gz QSSXOYXLRYSEIR-BIMULSAOSA-N 1 0 291.307 1.481 20 5 CDBDRO Cc1ccnc(C)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227263354 942160780 /nfs/dbraw/zinc/16/07/80/942160780.db2.gz FMFULYFGEZSUHC-GFCCVEGCSA-N 1 0 267.349 1.061 20 5 CDBDRO COC(=O)c1ccc(O[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001227294355 942164198 /nfs/dbraw/zinc/16/41/98/942164198.db2.gz BYBCZIYQHTWBOV-JTQLQIEISA-N 1 0 280.280 1.464 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2nc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228140104 942273988 /nfs/dbraw/zinc/27/39/88/942273988.db2.gz GFZDPKCRSRQREZ-SECBINFHSA-N 1 0 282.300 1.342 20 5 CDBDRO Cc1[nH]c(=O)cc(O[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001228687046 942357837 /nfs/dbraw/zinc/35/78/37/942357837.db2.gz TZEMHYUXODDOKH-QMMMGPOBSA-N 1 0 253.258 1.087 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ccc1OC1CC[NH+](C)CC1 ZINC001229055902 942412992 /nfs/dbraw/zinc/41/29/92/942412992.db2.gz HMYQTPCDPSDZPT-UHFFFAOYSA-N 1 0 294.307 1.854 20 5 CDBDRO COC(=O)c1cccc(O)c1O[C@@H](C)C[N+](C)(C)C ZINC001230286536 942601746 /nfs/dbraw/zinc/60/17/46/942601746.db2.gz FQDCXNBBLNRVSW-JTQLQIEISA-O 1 0 268.333 1.652 20 5 CDBDRO C[C@@H](Nc1cc(N)c([N+](=O)[O-])cn1)C(C)(C)C[NH+](C)C ZINC001262684186 943668844 /nfs/dbraw/zinc/66/88/44/943668844.db2.gz LJKAVZDNCOANRM-SECBINFHSA-N 1 0 281.360 1.960 20 5 CDBDRO O=C(NC[C@H]1CCCCC[NH2+]1)c1ccc([N+](=O)[O-])o1 ZINC001263251752 943806524 /nfs/dbraw/zinc/80/65/24/943806524.db2.gz WOWGBPJBYHNADQ-SECBINFHSA-N 1 0 267.285 1.450 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2c(cccc2O)[nH]1 ZINC001234447823 943840000 /nfs/dbraw/zinc/84/00/00/943840000.db2.gz POZFSHMMUQGSAQ-VIFPVBQESA-O 1 0 250.322 1.742 20 5 CDBDRO O=[N+]([O-])c1cncc(Cl)c1NCC[C@H]1CCC[NH2+]1 ZINC000380977662 943887985 /nfs/dbraw/zinc/88/79/85/943887985.db2.gz BXBKSJMSFAEIHI-MRVPVSSYSA-N 1 0 270.720 1.619 20 5 CDBDRO COC(=O)CCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254567496 947528948 /nfs/dbraw/zinc/52/89/48/947528948.db2.gz ORWRZEZINNLHJZ-LBPRGKRZSA-N 1 0 278.308 1.605 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)C2 ZINC001254568892 947531140 /nfs/dbraw/zinc/53/11/40/947531140.db2.gz VVPFDTFEHQMEQX-QEJZJMRPSA-N 1 0 276.336 1.955 20 5 CDBDRO CN1C(=O)CC[C@H]1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254574542 947533695 /nfs/dbraw/zinc/53/36/95/947533695.db2.gz IDCCHQPIRXUOPS-JSGCOSHPSA-N 1 0 289.335 1.272 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](O)C1CC1)C2 ZINC001254583739 947540307 /nfs/dbraw/zinc/54/03/07/947540307.db2.gz DAPGCYSSDPRPTQ-GXTWGEPZSA-N 1 0 262.309 1.423 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H](CO)c1cccnc1)C2 ZINC001254589663 947542471 /nfs/dbraw/zinc/54/24/71/947542471.db2.gz QRMVDGZIXBWIJO-GDBMZVCRSA-N 1 0 299.330 1.780 20 5 CDBDRO C[N@H+](Cc1cncnc1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254612643 947556410 /nfs/dbraw/zinc/55/64/10/947556410.db2.gz XJPHCBSVVSUEHP-HNNXBMFYSA-N 1 0 284.319 1.984 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246857047 948482250 /nfs/dbraw/zinc/48/22/50/948482250.db2.gz ZIRPLBGRLUBDOD-ZLDLUXBVSA-N 1 0 275.352 1.949 20 5 CDBDRO CC[NH2+]Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001249136889 949420615 /nfs/dbraw/zinc/42/06/15/949420615.db2.gz YVMZWQRDFBIJDY-UHFFFAOYSA-N 1 0 267.220 1.288 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001326132908 954229716 /nfs/dbraw/zinc/22/97/16/954229716.db2.gz NHKQKLQZPOJIBI-LLVKDONJSA-N 1 0 294.355 1.435 20 5 CDBDRO C[NH2+]C[C@@H](C)c1noc(CCn2cc([N+](=O)[O-])nc2C)n1 ZINC001327004198 954655463 /nfs/dbraw/zinc/65/54/63/954655463.db2.gz IIFMTOVYGSRHEP-MRVPVSSYSA-N 1 0 294.315 1.048 20 5 CDBDRO CC1(c2nc(Cc3ccccc3[N+](=O)[O-])no2)C[NH2+]C1 ZINC001331451182 957068748 /nfs/dbraw/zinc/06/87/48/957068748.db2.gz RHQCSUGDGUGISO-UHFFFAOYSA-N 1 0 274.280 1.430 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(OC[C@H]2CCC[NH2+]C2)c1 ZINC001332134090 957445904 /nfs/dbraw/zinc/44/59/04/957445904.db2.gz AHTVJUOSJXXVIQ-JTQLQIEISA-N 1 0 294.307 1.760 20 5 CDBDRO Cc1nc(NC[C@H]2CCCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC001334940251 959473409 /nfs/dbraw/zinc/47/34/09/959473409.db2.gz WSWMHHUOYXWLPA-LLVKDONJSA-N 1 0 279.344 1.837 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC001322423942 960215565 /nfs/dbraw/zinc/21/55/65/960215565.db2.gz IAFOBIWMRKLWEP-GFCCVEGCSA-N 1 0 278.356 1.862 20 5 CDBDRO Cc1nn(CN2CCC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC001323583267 960837807 /nfs/dbraw/zinc/83/78/07/960837807.db2.gz RMKDLSHIICIFIM-LBPRGKRZSA-N 1 0 279.344 1.227 20 5 CDBDRO C[C@H](Nc1ccc([N+](=O)[O-])s1)[C@H]1CN(C)CCN1C ZINC001337266815 961068771 /nfs/dbraw/zinc/06/87/71/961068771.db2.gz GEKXHOUGOWEJBW-VHSXEESVSA-N 1 0 284.385 1.703 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001340248184 962841875 /nfs/dbraw/zinc/84/18/75/962841875.db2.gz FHKGLIYXTDATJH-WCFLWFBJSA-N 1 0 275.308 1.258 20 5 CDBDRO C[C@@H](NC(=O)[C@H]1CC[NH2+][C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001342594169 963773321 /nfs/dbraw/zinc/77/33/21/963773321.db2.gz ZWEPHQWLDZINGI-BREBYQMCSA-N 1 0 277.324 1.770 20 5 CDBDRO C[C@H](NC(=O)[C@H]1C[C@]12CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC001344790108 964428589 /nfs/dbraw/zinc/42/85/89/964428589.db2.gz USDWJMHYOVGLSE-ZBINZKHDSA-N 1 0 289.335 1.772 20 5 CDBDRO C[NH+](C)C[C@@H](NCC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001346226930 964996345 /nfs/dbraw/zinc/99/63/45/964996345.db2.gz YPHFELJUMRXQQP-GFCCVEGCSA-N 1 0 271.748 1.809 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001348942449 966233667 /nfs/dbraw/zinc/23/36/67/966233667.db2.gz USYPEWZTPWRYNN-UONOGXRCSA-N 1 0 289.335 1.955 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001353602493 968096847 /nfs/dbraw/zinc/09/68/47/968096847.db2.gz PJXSZUNKPCAZRZ-OASPWFOLSA-N 1 0 277.324 1.552 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001353632861 968116814 /nfs/dbraw/zinc/11/68/14/968116814.db2.gz GWPWPHLTAOCXHA-AXTRIDKLSA-N 1 0 263.297 1.162 20 5 CDBDRO COc1ccc(C[C@H](C)[N@H+](C)CC[N+](=O)[O-])cc1 ZINC001354403367 968700487 /nfs/dbraw/zinc/70/04/87/968700487.db2.gz ALUAVYPEGSHAJD-NSHDSACASA-N 1 0 252.314 1.835 20 5 CDBDRO C[C@@H](CNC(=O)[C@H]1CCCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001355316494 969122220 /nfs/dbraw/zinc/12/22/20/969122220.db2.gz NYUSEXZCKJFYBF-WCQYABFASA-N 1 0 291.351 1.957 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001358405435 969730911 /nfs/dbraw/zinc/73/09/11/969730911.db2.gz AOCBUUHWPPOEBE-LBPRGKRZSA-N 1 0 291.351 1.939 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001521546506 970315795 /nfs/dbraw/zinc/31/57/95/970315795.db2.gz JLVZJRILYGLKRF-JTQLQIEISA-N 1 0 297.330 1.910 20 5 CDBDRO Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001522828440 970580728 /nfs/dbraw/zinc/58/07/28/970580728.db2.gz ZNVSXYXXHLOSHT-SNVBAGLBSA-N 1 0 263.297 1.793 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000275832444 341978483 /nfs/dbraw/zinc/97/84/83/341978483.db2.gz YEWNNWOTMHWPTN-BDAKNGLRSA-N 1 0 269.326 1.656 20 5 CDBDRO Cc1cc(N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000601183640 342489077 /nfs/dbraw/zinc/48/90/77/342489077.db2.gz AACNLQYKVIQWII-NEPJUHHUSA-N 1 0 276.340 1.686 20 5 CDBDRO Cc1cn[nH]c1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000589311567 342503779 /nfs/dbraw/zinc/50/37/79/342503779.db2.gz SMKPVOVRXDJGPG-UHFFFAOYSA-N 1 0 276.296 1.795 20 5 CDBDRO C[NH+](C)C[C@H](CO)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000589102067 342497056 /nfs/dbraw/zinc/49/70/56/342497056.db2.gz YCCJDDOMEDWYDF-SSDOTTSWSA-N 1 0 275.255 1.207 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000320672865 341993840 /nfs/dbraw/zinc/99/38/40/341993840.db2.gz JVKYQRAQTUXCTL-ZJUUUORDSA-N 1 0 265.313 1.759 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601273078 342547904 /nfs/dbraw/zinc/54/79/04/342547904.db2.gz OTUZAQBVGHMIMP-UHFFFAOYSA-N 1 0 269.276 1.368 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)C[NH+](C)C ZINC000340986653 365525861 /nfs/dbraw/zinc/52/58/61/365525861.db2.gz YUNQPIKPCDCWHH-MRVPVSSYSA-N 1 0 255.322 1.482 20 5 CDBDRO CC[C@@H]([NH2+][C@@H]1COCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000601306823 342551229 /nfs/dbraw/zinc/55/12/29/342551229.db2.gz SGCMASTZQVVMJL-MGPQQGTHSA-N 1 0 280.324 1.785 20 5 CDBDRO COc1ccc(CN2C[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000601330305 342554673 /nfs/dbraw/zinc/55/46/73/342554673.db2.gz RIPUHJOSLAUONQ-KOLCDFICSA-N 1 0 265.313 1.525 20 5 CDBDRO O=[N+]([O-])c1ncccc1NC[C@@H]1CCC[N@H+]1CCCO ZINC000590708001 342585242 /nfs/dbraw/zinc/58/52/42/342585242.db2.gz DHIBIRQHRYOWLB-NSHDSACASA-N 1 0 280.328 1.249 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000608906342 342084194 /nfs/dbraw/zinc/08/41/94/342084194.db2.gz YLPDPHBYSOABIC-SNVBAGLBSA-N 1 0 278.312 1.233 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3CC[NH2+][C@H]3C2)c(F)c1 ZINC000591438678 342631988 /nfs/dbraw/zinc/63/19/88/342631988.db2.gz PJLSUGDIONGKFY-KCJUWKMLSA-N 1 0 266.276 1.317 20 5 CDBDRO O=[N+]([O-])c1cc(CNC[C@@H]2C[C@H](F)C[NH2+]2)cs1 ZINC000591281916 342624300 /nfs/dbraw/zinc/62/43/00/342624300.db2.gz VLLMZAJEFLUKKR-IUCAKERBSA-N 1 0 259.306 1.446 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591439672 342632158 /nfs/dbraw/zinc/63/21/58/342632158.db2.gz XRWUZCIHYWKLOR-GHMZBOCLSA-N 1 0 279.344 1.308 20 5 CDBDRO C[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)C[NH+](C)C ZINC000311016122 342143422 /nfs/dbraw/zinc/14/34/22/342143422.db2.gz YDDWTDVXQLDDPS-MRVPVSSYSA-N 1 0 253.306 1.182 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000591673493 342641483 /nfs/dbraw/zinc/64/14/83/342641483.db2.gz ZGDBVXAIKYDTDK-NSHDSACASA-N 1 0 263.297 1.840 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@@]2(C)CCC(=O)N2)cc1[N+](=O)[O-] ZINC000453583416 252328009 /nfs/dbraw/zinc/32/80/09/252328009.db2.gz CXYGFFKPLONWDT-CQSZACIVSA-N 1 0 277.324 1.662 20 5 CDBDRO CC[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000236932710 361830848 /nfs/dbraw/zinc/83/08/48/361830848.db2.gz MBWUYRKDJYGXRD-DGCLKSJQSA-N 1 0 277.324 1.772 20 5 CDBDRO O=[N+]([O-])c1cn(CC[C@@H]2CC[NH2+]C2)nc1C1CC1 ZINC000592171226 342672040 /nfs/dbraw/zinc/67/20/40/342672040.db2.gz UKQCYERVRBCASS-VIFPVBQESA-N 1 0 250.302 1.668 20 5 CDBDRO COc1cc(CN(C)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000592427712 342694564 /nfs/dbraw/zinc/69/45/64/342694564.db2.gz SYBBQJCUMGAZPR-LLVKDONJSA-N 1 0 295.339 1.406 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000592487268 342695999 /nfs/dbraw/zinc/69/59/99/342695999.db2.gz SQZTWTBKLCLZGC-UWVGGRQHSA-N 1 0 285.294 1.866 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H]3CC[NH2+]C3)C2)nc1 ZINC000592984102 342751313 /nfs/dbraw/zinc/75/13/13/342751313.db2.gz HSDBRALCCPNIEZ-VXGBXAGGSA-N 1 0 291.355 1.086 20 5 CDBDRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000322369985 342185375 /nfs/dbraw/zinc/18/53/75/342185375.db2.gz DOXDWZFUMCWBLN-ZKCHVHJHSA-N 1 0 269.326 1.656 20 5 CDBDRO CC(C)(C)[NH2+]CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593892531 342846007 /nfs/dbraw/zinc/84/60/07/342846007.db2.gz BYMTYCVOZXGVHT-UHFFFAOYSA-N 1 0 297.330 1.781 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000594427877 342897327 /nfs/dbraw/zinc/89/73/27/342897327.db2.gz LMWFEFCLBYZNCN-ZFWWWQNUSA-N 1 0 289.335 1.601 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000588833706 342222950 /nfs/dbraw/zinc/22/29/50/342222950.db2.gz RXEZICBMQKZBCO-PHIMTYICSA-N 1 0 279.344 1.117 20 5 CDBDRO C[C@@H]([NH3+])Cn1cc(COc2ccccc2[N+](=O)[O-])nn1 ZINC000594655349 342935018 /nfs/dbraw/zinc/93/50/18/342935018.db2.gz KPWKQTWFUYHCAL-SECBINFHSA-N 1 0 277.284 1.113 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000595264316 343015689 /nfs/dbraw/zinc/01/56/89/343015689.db2.gz UITOKQWMQXZYCS-VIFPVBQESA-N 1 0 296.327 1.011 20 5 CDBDRO C[C@@H]([NH2+]CCc1cn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000595414209 343051490 /nfs/dbraw/zinc/05/14/90/343051490.db2.gz JHJKLFFHKSICHF-SECBINFHSA-N 1 0 261.285 1.606 20 5 CDBDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1onc(C)c1[N+](=O)[O-] ZINC000595520330 343088041 /nfs/dbraw/zinc/08/80/41/343088041.db2.gz KEYXURKACJLVDF-LLVKDONJSA-N 1 0 282.344 1.807 20 5 CDBDRO O=C(NCC[NH+]1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000600965964 342354236 /nfs/dbraw/zinc/35/42/36/342354236.db2.gz YVFRLYIASJDWEQ-UHFFFAOYSA-N 1 0 281.287 1.560 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000595981498 343210483 /nfs/dbraw/zinc/21/04/83/343210483.db2.gz DJPDIXSDXSRLIL-SNVBAGLBSA-N 1 0 279.340 1.597 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)COc1ccccc1[N+](=O)[O-] ZINC000595949197 343194179 /nfs/dbraw/zinc/19/41/79/343194179.db2.gz ZAPQLOFTYYCQGJ-UHFFFAOYSA-N 1 0 281.312 1.169 20 5 CDBDRO Cc1nn(C)c(NCC[C@@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000596434593 343320798 /nfs/dbraw/zinc/32/07/98/343320798.db2.gz XOZWUFHEQPUMFE-MRVPVSSYSA-N 1 0 255.322 1.389 20 5 CDBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1ncc([N+](=O)[O-])cn1 ZINC000596487313 343328898 /nfs/dbraw/zinc/32/88/98/343328898.db2.gz GJJDGDWXIKJKOC-LLVKDONJSA-N 1 0 279.344 1.917 20 5 CDBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000209374346 342438561 /nfs/dbraw/zinc/43/85/61/342438561.db2.gz OTDJGBILRPPNTQ-PELKAZGASA-N 1 0 295.726 1.682 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000142070704 342447693 /nfs/dbraw/zinc/44/76/93/342447693.db2.gz XQSYDSHPJRPKSH-LBPRGKRZSA-N 1 0 289.335 1.905 20 5 CDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000597701612 343603839 /nfs/dbraw/zinc/60/38/39/343603839.db2.gz VFWDPUKIOYKCIY-KWQFWETISA-N 1 0 266.301 1.088 20 5 CDBDRO Cc1ccc(C(=O)N2CC(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000597707230 343605594 /nfs/dbraw/zinc/60/55/94/343605594.db2.gz AGLZLLOZDFVIBU-UHFFFAOYSA-N 1 0 277.324 1.537 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000597854871 343646931 /nfs/dbraw/zinc/64/69/31/343646931.db2.gz OBRAWUSSIUWPJV-JTQLQIEISA-N 1 0 294.355 1.773 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCCC[N@H+](C)C1 ZINC000599140315 343959785 /nfs/dbraw/zinc/95/97/85/343959785.db2.gz UQELMWMWNDYKAJ-SNVBAGLBSA-N 1 0 267.333 1.472 20 5 CDBDRO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1C[C@@H](O)C1 ZINC000599670567 344126290 /nfs/dbraw/zinc/12/62/90/344126290.db2.gz HBNDURMDLCHJAI-JGZJWPJOSA-N 1 0 291.307 1.939 20 5 CDBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCCCC1 ZINC000173449808 529961857 /nfs/dbraw/zinc/96/18/57/529961857.db2.gz ALOKBIMBOGQUHX-AWEZNQCLSA-N 1 0 296.371 1.664 20 5 CDBDRO C[C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000602098984 344333133 /nfs/dbraw/zinc/33/31/33/344333133.db2.gz UIBOMIVTZFCZQK-SNVBAGLBSA-N 1 0 281.312 1.040 20 5 CDBDRO C[C@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000602152962 344361474 /nfs/dbraw/zinc/36/14/74/344361474.db2.gz ZYHTWXRYZXUOSR-LLVKDONJSA-N 1 0 279.340 1.546 20 5 CDBDRO CN(CCC[NH3+])C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602433981 344425290 /nfs/dbraw/zinc/42/52/90/344425290.db2.gz NDMRSJHRVNPUNZ-UHFFFAOYSA-N 1 0 255.249 1.155 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000127228725 187290961 /nfs/dbraw/zinc/29/09/61/187290961.db2.gz KQOREWGVRMOREE-SNVBAGLBSA-N 1 0 279.296 1.037 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000602595306 344502483 /nfs/dbraw/zinc/50/24/83/344502483.db2.gz HOKPDIAAVXFGCC-XCBNKYQSSA-N 1 0 283.715 1.810 20 5 CDBDRO CC[NH2+][C@H](C)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000602498671 344442387 /nfs/dbraw/zinc/44/23/87/344442387.db2.gz DNPJXRJXMQMDIG-MRVPVSSYSA-N 1 0 267.285 1.540 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602488769 344450392 /nfs/dbraw/zinc/45/03/92/344450392.db2.gz ZUZSMTOPRUCWAE-DTWKUNHWSA-N 1 0 281.287 1.734 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000602512411 344459753 /nfs/dbraw/zinc/45/97/53/344459753.db2.gz YEZRAWYBGFEZOD-ZJUUUORDSA-N 1 0 295.314 1.791 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602588801 344478858 /nfs/dbraw/zinc/47/88/58/344478858.db2.gz QVAUUKTVOYIBQW-ONGXEEELSA-N 1 0 295.726 1.363 20 5 CDBDRO CC[C@H](CO)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602673644 344523741 /nfs/dbraw/zinc/52/37/41/344523741.db2.gz LZTWGIUHZWFISM-SECBINFHSA-N 1 0 279.296 1.939 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCC1CC1 ZINC000602798155 344588801 /nfs/dbraw/zinc/58/88/01/344588801.db2.gz OXWBIPBLEBYLNQ-UHFFFAOYSA-N 1 0 252.318 1.832 20 5 CDBDRO O=[N+]([O-])c1c(NCC[N@H+]2CC=CCC2)nc2sccn21 ZINC000280187792 362415643 /nfs/dbraw/zinc/41/56/43/362415643.db2.gz INNALSMBJSALPH-UHFFFAOYSA-N 1 0 293.352 1.978 20 5 CDBDRO CO[C@@]1(C)CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602819399 344608659 /nfs/dbraw/zinc/60/86/59/344608659.db2.gz AUBVXNOIPNCFTF-ZDUSSCGKSA-N 1 0 282.344 1.601 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](CCCO)C1 ZINC000602837896 344620011 /nfs/dbraw/zinc/62/00/11/344620011.db2.gz PTJLXZYXWFJDHO-GFCCVEGCSA-N 1 0 282.344 1.194 20 5 CDBDRO C[NH2+]C(C)(C)c1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000603224909 344738120 /nfs/dbraw/zinc/73/81/20/344738120.db2.gz USIKUCPEXROLEG-UHFFFAOYSA-N 1 0 293.302 1.828 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)n1cc(CCC[NH3+])nn1 ZINC000603251950 344752781 /nfs/dbraw/zinc/75/27/81/344752781.db2.gz QNYVICJPNIHICF-LLVKDONJSA-N 1 0 289.339 1.995 20 5 CDBDRO COC[C@@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000603822901 344836929 /nfs/dbraw/zinc/83/69/29/344836929.db2.gz XQOWVBJUHNNFLN-SECBINFHSA-N 1 0 267.285 1.158 20 5 CDBDRO Cc1c(C(=O)NC[C@@H]([NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000129180395 362533884 /nfs/dbraw/zinc/53/38/84/362533884.db2.gz VMCRCCIVFRCGKM-LLVKDONJSA-N 1 0 263.297 1.370 20 5 CDBDRO C[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000072871066 345378078 /nfs/dbraw/zinc/37/80/78/345378078.db2.gz GOVBIYIPCSFWSG-NXEZZACHSA-N 1 0 277.324 1.782 20 5 CDBDRO C[C@@]1(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000230734646 345442181 /nfs/dbraw/zinc/44/21/81/345442181.db2.gz XJRLRFHYWMAYBR-GFCCVEGCSA-N 1 0 264.285 1.468 20 5 CDBDRO C[C@H](CNc1ccc([N+](=O)[O-])s1)N1CC[NH+](C)CC1 ZINC000609561012 345808623 /nfs/dbraw/zinc/80/86/23/345808623.db2.gz VSUDJOVJPIKVFQ-SNVBAGLBSA-N 1 0 284.385 1.704 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000068474727 347565772 /nfs/dbraw/zinc/56/57/72/347565772.db2.gz MRBKDSJJBVOONS-SNVBAGLBSA-N 1 0 265.313 1.665 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000086467271 179297200 /nfs/dbraw/zinc/29/72/00/179297200.db2.gz SAHGLKALOOKZTP-MNOVXSKESA-N 1 0 277.324 1.726 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H](C)C[NH2+]1 ZINC000086467678 179298282 /nfs/dbraw/zinc/29/82/82/179298282.db2.gz PUTFTGPIVWFMBE-HTQZYQBOSA-N 1 0 253.258 1.010 20 5 CDBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC000359909715 282569792 /nfs/dbraw/zinc/56/97/92/282569792.db2.gz YTFBDBCNYZTCTI-ZDUSSCGKSA-N 1 0 267.304 1.903 20 5 CDBDRO C[C@@H]([NH2+]CC(C)(C)O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293677482 362917518 /nfs/dbraw/zinc/91/75/18/362917518.db2.gz KCPTUQBRURIWIS-MRVPVSSYSA-N 1 0 253.302 1.599 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000046444436 348791297 /nfs/dbraw/zinc/79/12/97/348791297.db2.gz SHPUBNIMGYSIRC-LBPRGKRZSA-N 1 0 266.297 1.430 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000383012606 362937274 /nfs/dbraw/zinc/93/72/74/362937274.db2.gz DITXJQQWVBDSSE-DAGBOUIGSA-N 1 0 263.297 1.414 20 5 CDBDRO CSC[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552704 180003004 /nfs/dbraw/zinc/00/30/04/180003004.db2.gz GHQDRWHUBVHYCY-LBPRGKRZSA-N 1 0 297.380 1.584 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091543119 180184697 /nfs/dbraw/zinc/18/46/97/180184697.db2.gz KFMUUODKUKTIRR-CMPLNLGQSA-N 1 0 277.324 1.681 20 5 CDBDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000106468331 186119820 /nfs/dbraw/zinc/11/98/20/186119820.db2.gz IKVFSIUZZYHOMZ-LBPRGKRZSA-N 1 0 279.340 1.787 20 5 CDBDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000109847723 186276888 /nfs/dbraw/zinc/27/68/88/186276888.db2.gz VEFHAIRTACLLHP-LLVKDONJSA-N 1 0 277.324 1.585 20 5 CDBDRO C[NH2+][C@@H](C)c1cn(Cc2cccc([N+](=O)[O-])c2C)nn1 ZINC000312623353 350787230 /nfs/dbraw/zinc/78/72/30/350787230.db2.gz WZBQMDJOTNNNMW-JTQLQIEISA-N 1 0 275.312 1.823 20 5 CDBDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000111263961 186381207 /nfs/dbraw/zinc/38/12/07/186381207.db2.gz PNIRIPVCNDLJPI-CYBMUJFWSA-N 1 0 291.351 1.861 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000111303831 186393668 /nfs/dbraw/zinc/39/36/68/186393668.db2.gz LSKGDFZIQDKUHI-SECBINFHSA-N 1 0 251.286 1.370 20 5 CDBDRO CC(C)([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000122291030 187025484 /nfs/dbraw/zinc/02/54/84/187025484.db2.gz ZBDFULOQNKCSJG-UHFFFAOYSA-N 1 0 255.249 1.201 20 5 CDBDRO [NH3+][C@@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000123116297 187071899 /nfs/dbraw/zinc/07/18/99/187071899.db2.gz RYOYTCBTZITWLK-SNVBAGLBSA-N 1 0 255.705 1.781 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000122504805 187035226 /nfs/dbraw/zinc/03/52/26/187035226.db2.gz PELGHTSJNXWLOQ-UHFFFAOYSA-N 1 0 265.313 1.842 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000123601219 187100570 /nfs/dbraw/zinc/10/05/70/187100570.db2.gz CNZZTQFYLRDJFP-JTQLQIEISA-N 1 0 255.343 1.840 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)C[NH+](C)C)n1 ZINC000291967528 198120458 /nfs/dbraw/zinc/12/04/58/198120458.db2.gz VUHMUMVUFFCFNE-SECBINFHSA-N 1 0 296.327 1.386 20 5 CDBDRO COc1ccc(NC(=O)CC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000136482684 363110711 /nfs/dbraw/zinc/11/07/11/363110711.db2.gz VLGYZNVJEKZYLG-QMMMGPOBSA-N 1 0 267.285 1.669 20 5 CDBDRO COc1ccc(NC(=O)C2([NH3+])CC2)cc1[N+](=O)[O-] ZINC000136481588 363111251 /nfs/dbraw/zinc/11/12/51/363111251.db2.gz CFOMEWPJWYNYMJ-UHFFFAOYSA-N 1 0 251.242 1.033 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[NH2+]C2)c1 ZINC000133620936 187696644 /nfs/dbraw/zinc/69/66/44/187696644.db2.gz DFXHGYZRUDYDML-SNVBAGLBSA-N 1 0 263.297 1.243 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000150758062 187925846 /nfs/dbraw/zinc/92/58/46/187925846.db2.gz DSMCBLMNGOTCCF-GHMZBOCLSA-N 1 0 292.339 1.250 20 5 CDBDRO CNC(=O)CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000155015127 188176685 /nfs/dbraw/zinc/17/66/85/188176685.db2.gz GNFXCRMHRPJAPV-UHFFFAOYSA-N 1 0 283.303 1.692 20 5 CDBDRO Cc1ccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000157116348 188297713 /nfs/dbraw/zinc/29/77/13/188297713.db2.gz ZTKPJIZTUACAII-LLVKDONJSA-N 1 0 263.297 1.210 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000295178215 199389105 /nfs/dbraw/zinc/38/91/05/199389105.db2.gz HDBIZRDBUVXILY-IWIIMEHWSA-N 1 0 295.726 1.125 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158638151 188386341 /nfs/dbraw/zinc/38/63/41/188386341.db2.gz OYGFTARSHLZFFX-CQSZACIVSA-N 1 0 275.308 1.420 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC([NH3+])C1 ZINC000295194800 199399897 /nfs/dbraw/zinc/39/98/97/199399897.db2.gz JMQYWHGUNWTGAS-UHFFFAOYSA-N 1 0 283.715 1.810 20 5 CDBDRO C[N@H+]1CC=C(CNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000271879545 191385620 /nfs/dbraw/zinc/38/56/20/191385620.db2.gz BSXARFQHJLZCHJ-UHFFFAOYSA-N 1 0 275.308 1.587 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000336787434 356262818 /nfs/dbraw/zinc/26/28/18/356262818.db2.gz DYQVPOMAJSFKQX-ZETCQYMHSA-N 1 0 255.249 1.201 20 5 CDBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000134511430 356328678 /nfs/dbraw/zinc/32/86/78/356328678.db2.gz GOMMAHNCMRDFQG-LLVKDONJSA-N 1 0 282.319 1.392 20 5 CDBDRO CCC[N@H+](CC)CCNc1ncc([N+](=O)[O-])cn1 ZINC000230874232 535301280 /nfs/dbraw/zinc/30/12/80/535301280.db2.gz QJDRALZHFUETHD-UHFFFAOYSA-N 1 0 253.306 1.529 20 5 CDBDRO C[NH2+]CCCC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810253 356539753 /nfs/dbraw/zinc/53/97/53/356539753.db2.gz ZYNFAZAKGBSZPZ-UHFFFAOYSA-N 1 0 265.313 1.553 20 5 CDBDRO Cc1c(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000163536724 356811525 /nfs/dbraw/zinc/81/15/25/356811525.db2.gz WFMASEUOISRMAC-JQWIXIFHSA-N 1 0 291.351 1.960 20 5 CDBDRO C[C@H](CCO)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283976475 357623442 /nfs/dbraw/zinc/62/34/42/357623442.db2.gz GUDHIGDFSHWEHQ-NXEZZACHSA-N 1 0 267.329 1.846 20 5 CDBDRO O=C1OCC[C@]12CCCN2CCc1ccc([N+](=O)[O-])cc1 ZINC000186667174 357673552 /nfs/dbraw/zinc/67/35/52/357673552.db2.gz CBTHSZXVPFPGNB-OAHLLOKOSA-N 1 0 290.319 1.919 20 5 CDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000135226830 357798549 /nfs/dbraw/zinc/79/85/49/357798549.db2.gz IYGUWZNDJXVTDG-SECBINFHSA-N 1 0 281.287 1.463 20 5 CDBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000036256859 357817652 /nfs/dbraw/zinc/81/76/52/357817652.db2.gz WBOXHFZXDWUDKH-GFCCVEGCSA-N 1 0 289.335 1.999 20 5 CDBDRO CC(C)([NH3+])CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000084183911 357875323 /nfs/dbraw/zinc/87/53/23/357875323.db2.gz JPYUXFSPNGVIDC-UHFFFAOYSA-N 1 0 265.313 1.381 20 5 CDBDRO C[C@H]([NH2+]CCCCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294490548 199059902 /nfs/dbraw/zinc/05/99/02/199059902.db2.gz XTLXEIJQUSVLHO-JTQLQIEISA-N 1 0 267.329 1.990 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCOCCO ZINC000337422059 358033018 /nfs/dbraw/zinc/03/30/18/358033018.db2.gz BOADIYGPTLMSQE-GFCCVEGCSA-N 1 0 282.340 1.905 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000286960438 358045425 /nfs/dbraw/zinc/04/54/25/358045425.db2.gz LCOGDHBGFSAGGR-JTQLQIEISA-N 1 0 281.312 1.040 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000127328373 358117059 /nfs/dbraw/zinc/11/70/59/358117059.db2.gz FTJZGHIGENPZCV-YUMQZZPRSA-N 1 0 270.720 1.817 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000220304839 358140798 /nfs/dbraw/zinc/14/07/98/358140798.db2.gz ZMPABTGSPHCONA-JTQLQIEISA-N 1 0 294.355 1.836 20 5 CDBDRO CO[C@@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000361374356 358171514 /nfs/dbraw/zinc/17/15/14/358171514.db2.gz WYXCXWOPQXUXES-ZWNOBZJWSA-N 1 0 293.323 1.643 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000127675952 358249749 /nfs/dbraw/zinc/24/97/49/358249749.db2.gz GJKDZSSUSNRLDH-UHFFFAOYSA-N 1 0 295.339 1.851 20 5 CDBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000165952430 358406762 /nfs/dbraw/zinc/40/67/62/358406762.db2.gz DPXAYEQFPJBACY-AOOOYVTPSA-N 1 0 295.726 1.540 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000361657475 358403272 /nfs/dbraw/zinc/40/32/72/358403272.db2.gz JGZVSNJQXWBKQZ-NWDGAFQWSA-N 1 0 289.335 1.951 20 5 CDBDRO COC[C@H](CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000234790186 358434732 /nfs/dbraw/zinc/43/47/32/358434732.db2.gz VIFCTCCUQFWRBM-NSHDSACASA-N 1 0 254.286 1.000 20 5 CDBDRO COc1ccc(OC[C@H](O)C[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000290854299 358683163 /nfs/dbraw/zinc/68/31/63/358683163.db2.gz XQNSPPFLPQRXIC-LLVKDONJSA-N 1 0 296.323 1.437 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000159154899 358694636 /nfs/dbraw/zinc/69/46/36/358694636.db2.gz YWLSZQQIPNRQMK-HNNXBMFYSA-N 1 0 289.335 1.729 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCCC1 ZINC000072906463 358878951 /nfs/dbraw/zinc/87/89/51/358878951.db2.gz OLZNDEJQZPKFDP-UHFFFAOYSA-N 1 0 277.324 1.349 20 5 CDBDRO CC1(C)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000279807753 358944609 /nfs/dbraw/zinc/94/46/09/358944609.db2.gz PRGGISWNHYLGBS-CHWSQXEVSA-N 1 0 280.324 1.331 20 5 CDBDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000104189671 358950112 /nfs/dbraw/zinc/95/01/12/358950112.db2.gz YPWFAQOIMNIZMC-SNVBAGLBSA-N 1 0 292.339 1.167 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000104205948 358951292 /nfs/dbraw/zinc/95/12/92/358951292.db2.gz WYHCVDRLTSRDQK-ZETCQYMHSA-N 1 0 255.249 1.201 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000331585927 359021214 /nfs/dbraw/zinc/02/12/14/359021214.db2.gz KFAKEKGCJUDOFF-ZYHUDNBSSA-N 1 0 292.339 1.527 20 5 CDBDRO [NH3+]C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000087383803 359034040 /nfs/dbraw/zinc/03/40/40/359034040.db2.gz PMQPLRWEEUINRV-NSHDSACASA-N 1 0 267.260 1.201 20 5 CDBDRO COc1ccc(C(=O)N[C@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000381473127 359050501 /nfs/dbraw/zinc/05/05/01/359050501.db2.gz LTRUGUWNVNHKJZ-HTQZYQBOSA-N 1 0 267.285 1.069 20 5 CDBDRO COC[C@@](C)([NH3+])CNc1nc2sccn2c1[N+](=O)[O-] ZINC000265079076 359093976 /nfs/dbraw/zinc/09/39/76/359093976.db2.gz ZZCJFMYGLQFLIG-JTQLQIEISA-N 1 0 285.329 1.080 20 5 CDBDRO COc1cccc(C(=O)NCCCC[NH3+])c1[N+](=O)[O-] ZINC000569482785 359237706 /nfs/dbraw/zinc/23/77/06/359237706.db2.gz UUSBUIDXAKBUHO-UHFFFAOYSA-N 1 0 267.285 1.072 20 5 CDBDRO COc1ccc(CNC(=O)[C@H]2CC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000570038832 359273823 /nfs/dbraw/zinc/27/38/23/359273823.db2.gz KMASGZFQMWAVGY-KOLCDFICSA-N 1 0 293.323 1.218 20 5 CDBDRO CCC[C@@H]([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015956 359275898 /nfs/dbraw/zinc/27/58/98/359275898.db2.gz DYDVMWFWKXKXLU-SNVBAGLBSA-N 1 0 251.286 1.338 20 5 CDBDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015927 359276088 /nfs/dbraw/zinc/27/60/88/359276088.db2.gz QIAKHLVNQQATHA-BXKDBHETSA-N 1 0 265.313 1.584 20 5 CDBDRO C[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000050163064 359352336 /nfs/dbraw/zinc/35/23/36/359352336.db2.gz IBWSBQFANWUBIQ-UWVGGRQHSA-N 1 0 295.314 1.852 20 5 CDBDRO C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H](C)[NH+]1C ZINC000339623037 359417500 /nfs/dbraw/zinc/41/75/00/359417500.db2.gz MJQKKYJEJUQFMB-STQMWFEESA-N 1 0 293.367 1.998 20 5 CDBDRO C[C@H]([NH2+][C@H]1CCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000050394676 359440029 /nfs/dbraw/zinc/44/00/29/359440029.db2.gz XALOKMJUUDCNCG-CABZTGNLSA-N 1 0 263.297 1.524 20 5 CDBDRO [NH3+]CC1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000127948785 359481914 /nfs/dbraw/zinc/48/19/14/359481914.db2.gz KLFIBBLYDUNAJC-UHFFFAOYSA-N 1 0 277.324 1.730 20 5 CDBDRO [NH3+]CC1(C(=O)NCc2ccccc2[N+](=O)[O-])CCCC1 ZINC000127946632 359482114 /nfs/dbraw/zinc/48/21/14/359482114.db2.gz LJOUZLGLAAXHQE-UHFFFAOYSA-N 1 0 277.324 1.730 20 5 CDBDRO COc1ccc(CC(=O)NC(C)(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000571669648 359600038 /nfs/dbraw/zinc/60/00/38/359600038.db2.gz IYGDTPPLLNBEHJ-UHFFFAOYSA-N 1 0 295.339 1.390 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000571914476 359675938 /nfs/dbraw/zinc/67/59/38/359675938.db2.gz XAOPIUBMTVERLO-NEPJUHHUSA-N 1 0 293.371 1.793 20 5 CDBDRO CC(C)CC(C)(C)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000391136251 359784446 /nfs/dbraw/zinc/78/44/46/359784446.db2.gz GATNOYKLKQUHOV-CYBMUJFWSA-N 1 0 298.387 1.814 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000572137844 359911605 /nfs/dbraw/zinc/91/16/05/359911605.db2.gz HFEVBKQDYNQLKO-VXGBXAGGSA-N 1 0 276.340 1.816 20 5 CDBDRO COCC[N@H+](C)CCCNc1ccc([N+](=O)[O-])cn1 ZINC000075676839 359914227 /nfs/dbraw/zinc/91/42/27/359914227.db2.gz VQLATLFNPIGMLO-UHFFFAOYSA-N 1 0 268.317 1.370 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000130368164 359917430 /nfs/dbraw/zinc/91/74/30/359917430.db2.gz CJHRIEIUOUCDHR-QMMMGPOBSA-N 1 0 254.290 1.170 20 5 CDBDRO C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])S(C)(=O)=O ZINC000573137422 360201838 /nfs/dbraw/zinc/20/18/38/360201838.db2.gz NNNNMKXJBJZIFM-JOYOIKCWSA-N 1 0 298.364 1.605 20 5 CDBDRO Cc1nc(N2C[C@H]3CCCC[N@H+]3C[C@H]2C)ncc1[N+](=O)[O-] ZINC000572352698 360415821 /nfs/dbraw/zinc/41/58/21/360415821.db2.gz WITNJYRRUNPDFO-ZYHUDNBSSA-N 1 0 291.355 1.756 20 5 CDBDRO COc1ccc(C[N@@H+]2CC[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC000178002567 189085213 /nfs/dbraw/zinc/08/52/13/189085213.db2.gz UYERYKVSYAAGJI-CYBMUJFWSA-N 1 0 266.297 1.560 20 5 CDBDRO CN1CCO[C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000121146436 361199279 /nfs/dbraw/zinc/19/92/79/361199279.db2.gz CLCYZROBHXNSRJ-LSDHHAIUSA-N 1 0 291.351 1.152 20 5 CDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC000037995987 361518936 /nfs/dbraw/zinc/51/89/36/361518936.db2.gz STTQNAGAAKDZBH-UHFFFAOYSA-N 1 0 267.260 1.169 20 5 CDBDRO CNc1ccc(C(=O)N[C@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000581245302 363973990 /nfs/dbraw/zinc/97/39/90/363973990.db2.gz MNBCWCODFSJMNQ-GFCCVEGCSA-N 1 0 294.355 1.740 20 5 CDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000345826262 364025586 /nfs/dbraw/zinc/02/55/86/364025586.db2.gz PYEFMVLNVNQUHN-NWDGAFQWSA-N 1 0 277.324 1.599 20 5 CDBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](C)O ZINC000581939062 364058724 /nfs/dbraw/zinc/05/87/24/364058724.db2.gz IPQYTOALUZQBGX-SFYZADRCSA-N 1 0 264.285 1.330 20 5 CDBDRO C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174835279 364581900 /nfs/dbraw/zinc/58/19/00/364581900.db2.gz AZGYBMANKVIHBJ-LLVKDONJSA-N 1 0 252.318 1.913 20 5 CDBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000274857754 364612012 /nfs/dbraw/zinc/61/20/12/364612012.db2.gz ZPYXYNNEZVGWCR-SECBINFHSA-N 1 0 299.714 1.048 20 5 CDBDRO CC[C@@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000270822789 366934685 /nfs/dbraw/zinc/93/46/85/366934685.db2.gz BLBVUJNPLWMOHR-YPMHNXCESA-N 1 0 280.324 1.806 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000414191095 241107664 /nfs/dbraw/zinc/10/76/64/241107664.db2.gz URTMBMAFCNCQID-VHRBIJSZSA-N 1 0 280.324 1.968 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1=CC[NH2+]CC1 ZINC000414650027 241300332 /nfs/dbraw/zinc/30/03/32/241300332.db2.gz AREPUHYNZJMWKA-UHFFFAOYSA-N 1 0 290.323 1.944 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000414786323 241386127 /nfs/dbraw/zinc/38/61/27/241386127.db2.gz KGKKIHGHSFORSO-QLGVYERUSA-N 1 0 273.336 1.902 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CNC1CC[NH2+]CC1 ZINC000414782533 241384674 /nfs/dbraw/zinc/38/46/74/241384674.db2.gz FAQRYCFVSGCFPL-UHFFFAOYSA-N 1 0 279.340 1.835 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000417225628 242366830 /nfs/dbraw/zinc/36/68/30/242366830.db2.gz JRPIAYHMKLNVLM-CYBMUJFWSA-N 1 0 292.339 1.174 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418479038 243129322 /nfs/dbraw/zinc/12/93/22/243129322.db2.gz XXHAJDKXUJWXPO-JTQLQIEISA-N 1 0 292.339 1.257 20 5 CDBDRO CCC[NH2+]CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000414883639 368829042 /nfs/dbraw/zinc/82/90/42/368829042.db2.gz NRSBDHVEXGSXEK-UHFFFAOYSA-N 1 0 251.330 1.992 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000089090989 368861962 /nfs/dbraw/zinc/86/19/62/368861962.db2.gz CTWUXGLWUOZLQB-GXSJLCMTSA-N 1 0 263.297 1.452 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000420272871 244007406 /nfs/dbraw/zinc/00/74/06/244007406.db2.gz DPVKDEOIUGSLHO-UWVGGRQHSA-N 1 0 250.302 1.919 20 5 CDBDRO Cc1cc(NC[C@@H]2CCC[C@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000420292161 244036692 /nfs/dbraw/zinc/03/66/92/244036692.db2.gz WMYWYNMDFMDSOV-MNOVXSKESA-N 1 0 264.329 1.650 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000420294323 244038664 /nfs/dbraw/zinc/03/86/64/244038664.db2.gz ZAUFNRSGWNKEFY-NXEZZACHSA-N 1 0 250.302 1.341 20 5 CDBDRO C[NH2+]CCN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000420342427 244114559 /nfs/dbraw/zinc/11/45/59/244114559.db2.gz WZUCYNUZLHZXPZ-SNVBAGLBSA-N 1 0 280.328 1.073 20 5 CDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C1 ZINC000414892206 369322445 /nfs/dbraw/zinc/32/24/45/369322445.db2.gz XMXCKKZRZWBVRG-AAEUAGOBSA-N 1 0 263.341 1.867 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000330889055 203356209 /nfs/dbraw/zinc/35/62/09/203356209.db2.gz BBHKBXVYUTUDFE-YPMHNXCESA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000295363499 370047278 /nfs/dbraw/zinc/04/72/78/370047278.db2.gz ZQHAFOKVHMNIAY-JTQLQIEISA-N 1 0 297.380 1.931 20 5 CDBDRO COc1ccc(CNC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414840206 370496443 /nfs/dbraw/zinc/49/64/43/370496443.db2.gz YFNASLAEIOKEQZ-GFCCVEGCSA-N 1 0 279.340 1.693 20 5 CDBDRO [NH3+][C@H](CC(F)F)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000312025065 371073233 /nfs/dbraw/zinc/07/32/33/371073233.db2.gz WCHIPRWJFVDRRO-SECBINFHSA-N 1 0 273.239 1.194 20 5 CDBDRO Cc1nc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000294934429 371107152 /nfs/dbraw/zinc/10/71/52/371107152.db2.gz KXLYSHAAIIPKOZ-DTORHVGOSA-N 1 0 265.317 1.222 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000414926478 371107171 /nfs/dbraw/zinc/10/71/71/371107171.db2.gz NHCYHWVBVGETMW-RYUDHWBXSA-N 1 0 279.340 1.963 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000170913975 372033900 /nfs/dbraw/zinc/03/39/00/372033900.db2.gz KAGXDJLBKGLQLS-QMMMGPOBSA-N 1 0 269.326 1.338 20 5 CDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000266317826 372217171 /nfs/dbraw/zinc/21/71/71/372217171.db2.gz PQCWIWFNFSUNLY-JTQLQIEISA-N 1 0 281.312 1.744 20 5 CDBDRO CCC(CC)(C[NH2+]CCn1cc([N+](=O)[O-])cn1)C(=O)OC ZINC000120818490 373877358 /nfs/dbraw/zinc/87/73/58/373877358.db2.gz MNZUVUUYIRXSCR-UHFFFAOYSA-N 1 0 298.343 1.360 20 5 CDBDRO CC(C)[C@H](CCO)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000274110818 374111083 /nfs/dbraw/zinc/11/10/83/374111083.db2.gz VTPKELSIDMPZQL-LBPRGKRZSA-N 1 0 295.339 1.190 20 5 CDBDRO Cc1cc(N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000225403253 374296920 /nfs/dbraw/zinc/29/69/20/374296920.db2.gz RRKMGSZRNLSUQH-VXGBXAGGSA-N 1 0 294.355 1.190 20 5 CDBDRO [NH3+]C1(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000423837068 246131017 /nfs/dbraw/zinc/13/10/17/246131017.db2.gz GOIMAAWEUYPMRC-UHFFFAOYSA-N 1 0 283.715 1.746 20 5 CDBDRO Cn1cc([N+](=O)[O-])c(-c2nc(C3([NH3+])CCCCC3)no2)n1 ZINC000424351231 374408938 /nfs/dbraw/zinc/40/89/38/374408938.db2.gz YTCMMYHJBKSECC-UHFFFAOYSA-N 1 0 292.299 1.496 20 5 CDBDRO Cc1ccc(NC(=O)N(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000080160889 374451271 /nfs/dbraw/zinc/45/12/71/374451271.db2.gz ICLPIHVMYRBBEE-UHFFFAOYSA-N 1 0 280.328 1.929 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426457690 374468790 /nfs/dbraw/zinc/46/87/90/374468790.db2.gz YVCWGLXCFAXWNH-UWVGGRQHSA-N 1 0 250.302 1.703 20 5 CDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[NH2+]CC1 ZINC000376389477 374554038 /nfs/dbraw/zinc/55/40/38/374554038.db2.gz WDZTWUFXSLYRSZ-NSHDSACASA-N 1 0 293.323 1.232 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[C@H]1[NH3+] ZINC000429159148 374571693 /nfs/dbraw/zinc/57/16/93/374571693.db2.gz FEZZZVKKAWKNGE-GMSGAONNSA-N 1 0 296.302 1.125 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[C@@H]1[NH3+] ZINC000429159161 374570990 /nfs/dbraw/zinc/57/09/90/374570990.db2.gz FEZZZVKKAWKNGE-XCBNKYQSSA-N 1 0 296.302 1.125 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000377503917 374605462 /nfs/dbraw/zinc/60/54/62/374605462.db2.gz GWDUANYQLKLCKN-JTQLQIEISA-N 1 0 293.323 1.301 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000070145159 374651010 /nfs/dbraw/zinc/65/10/10/374651010.db2.gz QNBLBTVOCYRPSQ-SKDRFNHKSA-N 1 0 263.297 1.404 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1C[NH3+] ZINC000070176422 374656046 /nfs/dbraw/zinc/65/60/46/374656046.db2.gz VJICFSIAXPQESA-RKDXNWHRSA-N 1 0 267.285 1.387 20 5 CDBDRO C[C@@H](CCN1CC[NH+](C)CC1)Nc1ncccc1[N+](=O)[O-] ZINC000274460282 374673603 /nfs/dbraw/zinc/67/36/03/374673603.db2.gz KHOGRKSBLIVVKG-LBPRGKRZSA-N 1 0 293.371 1.428 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000275186779 374691648 /nfs/dbraw/zinc/69/16/48/374691648.db2.gz YJDUSZGKJPSTRJ-CMPLNLGQSA-N 1 0 277.324 1.631 20 5 CDBDRO Cc1nc(N[C@@H](C)[C@@H]2CN(C)CCO2)ccc1[N+](=O)[O-] ZINC000154783041 374750175 /nfs/dbraw/zinc/75/01/75/374750175.db2.gz FIMWFCLBMUNHDO-JQWIXIFHSA-N 1 0 280.328 1.429 20 5 CDBDRO Cc1nc(N[C@@H](C)[C@H]2CN(C)CCO2)ccc1[N+](=O)[O-] ZINC000154783241 374751205 /nfs/dbraw/zinc/75/12/05/374751205.db2.gz FIMWFCLBMUNHDO-CMPLNLGQSA-N 1 0 280.328 1.429 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCCN2CCCO)c1 ZINC000449385996 374805657 /nfs/dbraw/zinc/80/56/57/374805657.db2.gz HAMOWPCATMXQRQ-OAHLLOKOSA-N 1 0 293.367 1.531 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCCN1CCCO ZINC000449388607 374806614 /nfs/dbraw/zinc/80/66/14/374806614.db2.gz PMNORGZRSCMKHW-CQSZACIVSA-N 1 0 293.367 1.531 20 5 CDBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc([N+](=O)[O-])o1 ZINC000277913213 374822469 /nfs/dbraw/zinc/82/24/69/374822469.db2.gz MPOVILYSBADGOA-LLVKDONJSA-N 1 0 293.323 1.935 20 5 CDBDRO C[C@@](C[NH3+])(NC(=O)COc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000154853816 374766979 /nfs/dbraw/zinc/76/69/79/374766979.db2.gz ZPVPKWDMCMZYNV-AWEZNQCLSA-N 1 0 293.323 1.217 20 5 CDBDRO COCC[N@H+](C)CCCNc1cc(OC)ccc1[N+](=O)[O-] ZINC000277115236 374772507 /nfs/dbraw/zinc/77/25/07/374772507.db2.gz NOBQAEZDJXQWMA-UHFFFAOYSA-N 1 0 297.355 1.984 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000124862629 374867191 /nfs/dbraw/zinc/86/71/91/374867191.db2.gz CCZCUXUHEJHMCJ-UHFFFAOYSA-N 1 0 265.313 1.205 20 5 CDBDRO C[C@@H](O)CC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000266723483 374857839 /nfs/dbraw/zinc/85/78/39/374857839.db2.gz IBCRMLBLRHPHDN-GHMZBOCLSA-N 1 0 295.339 1.625 20 5 CDBDRO O=[N+]([O-])c1cnn(CCN2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000332217610 375016767 /nfs/dbraw/zinc/01/67/67/375016767.db2.gz WXXRUBGPPVCGMK-CYBMUJFWSA-N 1 0 293.371 1.352 20 5 CDBDRO Cc1c(CN2CC[C@H](S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000282123488 375067291 /nfs/dbraw/zinc/06/72/91/375067291.db2.gz JQADSUZHYJWYLO-LBPRGKRZSA-N 1 0 298.364 1.522 20 5 CDBDRO C[NH2+]C[C@@H](C)CNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000129534342 375207359 /nfs/dbraw/zinc/20/73/59/375207359.db2.gz MGBISXOKNKOUTN-SECBINFHSA-N 1 0 253.302 1.871 20 5 CDBDRO C[C@@H](O)CN(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000131322901 375223579 /nfs/dbraw/zinc/22/35/79/375223579.db2.gz AIPAMIJVUWPDBX-SECBINFHSA-N 1 0 292.295 1.457 20 5 CDBDRO CC(C)C[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304391967 375443837 /nfs/dbraw/zinc/44/38/37/375443837.db2.gz NFQUZXGZCGHSAP-TZMCWYRMSA-N 1 0 296.371 1.520 20 5 CDBDRO Cc1cnn(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000352783335 375538633 /nfs/dbraw/zinc/53/86/33/375538633.db2.gz XTLVRKJMZPEVMT-UHFFFAOYSA-N 1 0 260.297 1.927 20 5 CDBDRO C[C@@H](C1CCC1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000357034808 375877222 /nfs/dbraw/zinc/87/72/22/375877222.db2.gz JHICATZRYJFNIW-GWCFXTLKSA-N 1 0 282.344 1.273 20 5 CDBDRO COc1cc(C(=O)N[C@H]2CC[NH2+]C2(C)C)ccc1[N+](=O)[O-] ZINC000307909690 375895573 /nfs/dbraw/zinc/89/55/73/375895573.db2.gz GKSSFJFJHDYOQP-LBPRGKRZSA-N 1 0 293.323 1.474 20 5 CDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000264474117 190112761 /nfs/dbraw/zinc/11/27/61/190112761.db2.gz GRZFDTBMOYFSMS-SNVBAGLBSA-N 1 0 299.352 1.107 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435243521 248161144 /nfs/dbraw/zinc/16/11/44/248161144.db2.gz VRMREGDUMKDWDV-CYBMUJFWSA-N 1 0 261.325 1.921 20 5 CDBDRO Cc1c(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cccc1[N+](=O)[O-] ZINC000189304889 377229439 /nfs/dbraw/zinc/22/94/39/377229439.db2.gz GSIWWMITWKMJQN-ZYHUDNBSSA-N 1 0 277.324 1.774 20 5 CDBDRO C[NH2+]C[C@H](C)CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000129589546 378428504 /nfs/dbraw/zinc/42/85/04/378428504.db2.gz SESIFCYKAJLPMQ-ZETCQYMHSA-N 1 0 258.709 1.911 20 5 CDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000174504642 379513870 /nfs/dbraw/zinc/51/38/70/379513870.db2.gz CXPIMVMFYOSQKC-SNVBAGLBSA-N 1 0 281.312 1.602 20 5 CDBDRO CC(C)(C)C[N@H+](CCCO)CCn1cc([N+](=O)[O-])cn1 ZINC000174852873 379591520 /nfs/dbraw/zinc/59/15/20/379591520.db2.gz CKJCKUIAIAPWLE-UHFFFAOYSA-N 1 0 284.360 1.522 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449656427 250953656 /nfs/dbraw/zinc/95/36/56/250953656.db2.gz KUKQTPUFBBDXEH-LLVKDONJSA-N 1 0 299.277 1.630 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](Nc2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000450268698 251201810 /nfs/dbraw/zinc/20/18/10/251201810.db2.gz HYXLGXIOJZSCSA-SNVBAGLBSA-N 1 0 265.317 1.589 20 5 CDBDRO Cc1nc(N(C)C[C@H]2CC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC000450313208 251218044 /nfs/dbraw/zinc/21/80/44/251218044.db2.gz KMICEUIGYRMERQ-JTQLQIEISA-N 1 0 265.317 1.081 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000382451798 412953325 /nfs/dbraw/zinc/95/33/25/412953325.db2.gz FYWVNXKUTYEJBZ-ZJUUUORDSA-N 1 0 278.312 1.986 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000382449139 412953736 /nfs/dbraw/zinc/95/37/36/412953736.db2.gz CTPNDEQKMHGREZ-MNOVXSKESA-N 1 0 277.324 1.760 20 5 CDBDRO O=[N+]([O-])c1c(N2CC[C@]3(CC[NH2+]C3)C2)nc2sccn21 ZINC000261672286 285077884 /nfs/dbraw/zinc/07/78/84/285077884.db2.gz FYKTXFZIFPCFTQ-LBPRGKRZSA-N 1 0 293.352 1.494 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261591492 285092006 /nfs/dbraw/zinc/09/20/06/285092006.db2.gz LYBJOIBEMFHWLG-SCZZXKLOSA-N 1 0 282.731 1.831 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000289238882 197270834 /nfs/dbraw/zinc/27/08/34/197270834.db2.gz MPUGVPWCPPBENT-MGCOHNPYSA-N 1 0 281.312 1.683 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)cc1[N+](=O)[O-] ZINC000513512738 254116316 /nfs/dbraw/zinc/11/63/16/254116316.db2.gz PRCMAXOVOLELDD-HAQNSBGRSA-N 1 0 280.324 1.997 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000394576898 390187038 /nfs/dbraw/zinc/18/70/38/390187038.db2.gz WRIBWJQBFYFCEG-BQBZGAKWSA-N 1 0 255.249 1.199 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000261656163 390480154 /nfs/dbraw/zinc/48/01/54/390480154.db2.gz YRCNAGCDTMGWNA-ZETCQYMHSA-N 1 0 279.325 1.527 20 5 CDBDRO CC[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000105790723 390519679 /nfs/dbraw/zinc/51/96/79/390519679.db2.gz VOFDECWERPDPMP-OLZOCXBDSA-N 1 0 293.367 1.876 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)CC)c1 ZINC000284104643 390577710 /nfs/dbraw/zinc/57/77/10/390577710.db2.gz TZHIQPNTPFHVJB-UHFFFAOYSA-N 1 0 295.339 1.675 20 5 CDBDRO NC(=O)CC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000421348453 390633506 /nfs/dbraw/zinc/63/35/06/390633506.db2.gz GGWOXQTYDDPEBT-UHFFFAOYSA-N 1 0 269.326 1.402 20 5 CDBDRO COc1ccc(OCCN2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430918709 390942456 /nfs/dbraw/zinc/94/24/56/390942456.db2.gz NZEKEPYMTJIRJG-LLVKDONJSA-N 1 0 295.339 1.263 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CNCCO1 ZINC000415091914 391014471 /nfs/dbraw/zinc/01/44/71/391014471.db2.gz DLYHQJSEOQURBX-HSBHDXMMSA-N 1 0 277.324 1.186 20 5 CDBDRO CC(C)[C@@H](CO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411499194 390966801 /nfs/dbraw/zinc/96/68/01/390966801.db2.gz CIAOKGUAOPKXNF-CYBMUJFWSA-N 1 0 295.339 1.530 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000516965491 390967428 /nfs/dbraw/zinc/96/74/28/390967428.db2.gz XKZJWPPYIPAXKP-UHFFFAOYSA-N 1 0 295.295 1.181 20 5 CDBDRO COC[C@@H]1C[C@H](O)C[N@@H+]1[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000411917510 390968730 /nfs/dbraw/zinc/96/87/30/390968730.db2.gz COHIILPNJXMMAF-SRVKXCTJSA-N 1 0 280.324 1.737 20 5 CDBDRO CCc1ccc(C(=O)N[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000159289789 391003261 /nfs/dbraw/zinc/00/32/61/391003261.db2.gz YUFLCYDJRLXZNX-LBPRGKRZSA-N 1 0 277.324 1.624 20 5 CDBDRO C[C@](CN)([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000430599110 391121914 /nfs/dbraw/zinc/12/19/14/391121914.db2.gz UYIAIGLRFJUOQH-CQSZACIVSA-N 1 0 263.341 1.854 20 5 CDBDRO Cc1ccc(NCCC[NH2+]CCC(N)=O)c([N+](=O)[O-])c1 ZINC000519697436 391201318 /nfs/dbraw/zinc/20/13/18/391201318.db2.gz HPBJUHGHKSZMFU-UHFFFAOYSA-N 1 0 280.328 1.170 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415377400 391376349 /nfs/dbraw/zinc/37/63/49/391376349.db2.gz AQALFSBOVZYJJS-ZJUUUORDSA-N 1 0 293.327 1.051 20 5 CDBDRO C[C@H]1[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343480457 391634043 /nfs/dbraw/zinc/63/40/43/391634043.db2.gz RHZVHTGSZSBHMZ-ONGXEEELSA-N 1 0 292.339 1.588 20 5 CDBDRO COc1cccc(C(=O)NCC[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000192569620 391683205 /nfs/dbraw/zinc/68/32/05/391683205.db2.gz LJTLTIXDGGRZAM-UHFFFAOYSA-N 1 0 295.339 1.673 20 5 CDBDRO C[C@@H](CO)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293589907 391695324 /nfs/dbraw/zinc/69/53/24/391695324.db2.gz FIYCTQMUXLLGRZ-RKDXNWHRSA-N 1 0 253.302 1.456 20 5 CDBDRO C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000189739052 130018020 /nfs/dbraw/zinc/01/80/20/130018020.db2.gz RCWCPIRHAWWVRJ-SMDDNHRTSA-N 1 0 264.325 1.840 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCO[C@@H](C[NH3+])C1 ZINC000228979259 391934201 /nfs/dbraw/zinc/93/42/01/391934201.db2.gz FNDGSKQOBKXONE-MNOVXSKESA-N 1 0 265.313 1.315 20 5 CDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000246596834 392017009 /nfs/dbraw/zinc/01/70/09/392017009.db2.gz IUXPNDVFEDICTP-QWRGUYRKSA-N 1 0 293.323 1.744 20 5 CDBDRO CC[C@H]1CN(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000487193958 392240503 /nfs/dbraw/zinc/24/05/03/392240503.db2.gz NUACOJUZSCBMJZ-HNNXBMFYSA-N 1 0 293.367 1.795 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000237191312 131011456 /nfs/dbraw/zinc/01/14/56/131011456.db2.gz CIFSAQSMNHWWGC-GFCCVEGCSA-N 1 0 293.367 1.889 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000237333811 131024268 /nfs/dbraw/zinc/02/42/68/131024268.db2.gz HJIDRAAPWALPDM-SECBINFHSA-N 1 0 295.364 1.799 20 5 CDBDRO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000237612118 131046841 /nfs/dbraw/zinc/04/68/41/131046841.db2.gz PPNMZUBLUPXFCO-VIFPVBQESA-N 1 0 297.742 1.611 20 5 CDBDRO Cc1sc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237700706 131052614 /nfs/dbraw/zinc/05/26/14/131052614.db2.gz OEBGRTPSBMPSMB-DTWKUNHWSA-N 1 0 283.353 1.822 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000261554673 131151898 /nfs/dbraw/zinc/15/18/98/131151898.db2.gz BAXBWTXTCGQRGQ-ZETCQYMHSA-N 1 0 271.704 1.586 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261732233 131165071 /nfs/dbraw/zinc/16/50/71/131165071.db2.gz LFRHPLSADLIEAO-JQWIXIFHSA-N 1 0 275.308 1.419 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261754296 131167089 /nfs/dbraw/zinc/16/70/89/131167089.db2.gz NDECUKIQMYKOHW-WCQYABFASA-N 1 0 275.308 1.419 20 5 CDBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000262275128 131207645 /nfs/dbraw/zinc/20/76/45/131207645.db2.gz WICVNPMFJIIGOK-SECBINFHSA-N 1 0 293.323 1.500 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[NH2+]1 ZINC000262821761 131264335 /nfs/dbraw/zinc/26/43/35/131264335.db2.gz GVBBOXPKRJKSOR-CBAPKCEASA-N 1 0 296.302 1.186 20 5 CDBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cn2)CCOCC1 ZINC000264989863 131534155 /nfs/dbraw/zinc/53/41/55/131534155.db2.gz BQRHTLHDGQAUGH-UHFFFAOYSA-N 1 0 280.328 1.513 20 5 CDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)C[NH+](C)C ZINC000488985511 392845546 /nfs/dbraw/zinc/84/55/46/392845546.db2.gz PZPGSSUZBGPISZ-JTQLQIEISA-N 1 0 294.355 1.564 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CC[C@@H](C)C2)c1 ZINC000525291961 392925661 /nfs/dbraw/zinc/92/56/61/392925661.db2.gz UZCDQOWVDMMHMH-GFCCVEGCSA-N 1 0 291.351 1.975 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](CCO)CC2)c1 ZINC000421008618 392926057 /nfs/dbraw/zinc/92/60/57/392926057.db2.gz DLQBCSFKZCKCDP-LBPRGKRZSA-N 1 0 282.344 1.276 20 5 CDBDRO Cc1nc(NC[C@@H](C)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000268500324 132018166 /nfs/dbraw/zinc/01/81/66/132018166.db2.gz QCDAVPOUUICWPL-LLVKDONJSA-N 1 0 293.371 1.346 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423541889 392963511 /nfs/dbraw/zinc/96/35/11/392963511.db2.gz SMADUWPPAADNNN-NSHDSACASA-N 1 0 293.323 1.011 20 5 CDBDRO CCOc1cc(C(=O)NC[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000194932988 393020435 /nfs/dbraw/zinc/02/04/35/393020435.db2.gz JSWIPSLKGXAGRF-MRVPVSSYSA-N 1 0 297.311 1.079 20 5 CDBDRO Cc1n[nH]c(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000429627530 393084998 /nfs/dbraw/zinc/08/49/98/393084998.db2.gz NZMRTFOMQNZEKB-SECBINFHSA-N 1 0 283.332 1.072 20 5 CDBDRO C[NH2+][C@@H]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430621812 393102688 /nfs/dbraw/zinc/10/26/88/393102688.db2.gz KHDDKZAEKKZZHP-WDEREUQCSA-N 1 0 292.339 1.216 20 5 CDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH3+])C1 ZINC000430935616 393105639 /nfs/dbraw/zinc/10/56/39/393105639.db2.gz UMOPNSWNOPUXMI-QWRGUYRKSA-N 1 0 292.339 1.202 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](CC(C)C)CC1 ZINC000195334784 393173777 /nfs/dbraw/zinc/17/37/77/393173777.db2.gz ITOOAFKZXNVZNS-UHFFFAOYSA-N 1 0 295.387 1.898 20 5 CDBDRO COC[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])OC ZINC000449234809 393131058 /nfs/dbraw/zinc/13/10/58/393131058.db2.gz RHJVRBTWFLCFQH-AAEUAGOBSA-N 1 0 282.340 1.777 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCCO ZINC000449288782 393134398 /nfs/dbraw/zinc/13/43/98/393134398.db2.gz OCNPXDJERKGHCN-LLVKDONJSA-N 1 0 252.314 1.888 20 5 CDBDRO Cc1ccc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000278823753 393142508 /nfs/dbraw/zinc/14/25/08/393142508.db2.gz UGJLRBIMPOFDNM-TXEJJXNPSA-N 1 0 261.325 1.901 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000493845611 393222944 /nfs/dbraw/zinc/22/29/44/393222944.db2.gz NKOUZLCQIYSLJD-TXNVCOODSA-N 1 0 293.298 1.601 20 5 CDBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000275196756 135104291 /nfs/dbraw/zinc/10/42/91/135104291.db2.gz AIUIVIZJILYMRI-RYUDHWBXSA-N 1 0 279.340 1.486 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235369020 140234517 /nfs/dbraw/zinc/23/45/17/140234517.db2.gz FYIQQIYCFYPXKY-KOLCDFICSA-N 1 0 278.312 1.857 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235715644 140236745 /nfs/dbraw/zinc/23/67/45/140236745.db2.gz FYIQQIYCFYPXKY-GXSJLCMTSA-N 1 0 278.312 1.857 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CC[NH2+]C1 ZINC000261584031 140355881 /nfs/dbraw/zinc/35/58/81/140355881.db2.gz SANQOSOOKVPCTL-SECBINFHSA-N 1 0 253.306 1.141 20 5 CDBDRO [NH3+][C@@H]1CC[C@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@H]12 ZINC000261588945 140358210 /nfs/dbraw/zinc/35/82/10/140358210.db2.gz VYZDIKAJKWCQSH-GARJFASQSA-N 1 0 267.354 1.825 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000261596579 140360450 /nfs/dbraw/zinc/36/04/50/140360450.db2.gz AIAJQXZPKVSHRJ-OASPWFOLSA-N 1 0 290.323 1.796 20 5 CDBDRO COc1cc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000261760374 140385729 /nfs/dbraw/zinc/38/57/29/140385729.db2.gz UWKSFSMZSXTLLI-MWLCHTKSSA-N 1 0 295.314 1.931 20 5 CDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000261833398 140396968 /nfs/dbraw/zinc/39/69/68/140396968.db2.gz YXSGKRHAWSJIGR-SECBINFHSA-N 1 0 266.301 1.041 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCC[NH2+]C1 ZINC000423197385 397602253 /nfs/dbraw/zinc/60/22/53/397602253.db2.gz ZERNPAOSDGRJKV-YPMHNXCESA-N 1 0 263.341 1.867 20 5 CDBDRO C[NH2+]CCN(C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633693 147058621 /nfs/dbraw/zinc/05/86/21/147058621.db2.gz JYVWEEYAUYRHKR-UHFFFAOYSA-N 1 0 257.721 1.899 20 5 CDBDRO COc1ccc(C[NH2+]CCC[S@](C)=O)cc1[N+](=O)[O-] ZINC000116919748 147279815 /nfs/dbraw/zinc/27/98/15/147279815.db2.gz ACVOJDVQWRKLRF-LJQANCHMSA-N 1 0 286.353 1.462 20 5 CDBDRO C[S@](=O)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000116919875 147279975 /nfs/dbraw/zinc/27/99/75/147279975.db2.gz BBBAGWCKZAIPPD-QGZVFWFLSA-N 1 0 256.327 1.453 20 5 CDBDRO O=C(NCC1C[NH2+]C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000262021636 149003383 /nfs/dbraw/zinc/00/33/83/149003383.db2.gz MIIKNQUHDISBFE-UHFFFAOYSA-N 1 0 269.688 1.197 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000262460713 149066618 /nfs/dbraw/zinc/06/66/18/149066618.db2.gz MHVHZMCGCRPRJR-SNVBAGLBSA-N 1 0 297.380 1.801 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000314933884 149257270 /nfs/dbraw/zinc/25/72/70/149257270.db2.gz LZARPQRYKFQMRL-JTQLQIEISA-N 1 0 294.355 1.636 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(O)CCOC1 ZINC000344846703 152664403 /nfs/dbraw/zinc/66/44/03/152664403.db2.gz BVTRIXTXMUFNPV-WASHYIJTSA-N 1 0 292.335 1.739 20 5 CDBDRO [NH3+][C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000346086853 153048316 /nfs/dbraw/zinc/04/83/16/153048316.db2.gz VAOGGYPSGDHQEX-SECBINFHSA-N 1 0 276.296 1.659 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000346167672 153080860 /nfs/dbraw/zinc/08/08/60/153080860.db2.gz SYVGYGQREYKNSM-SECBINFHSA-N 1 0 290.323 1.756 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN2C(=O)CC[C@H]2C1 ZINC000346457522 153195523 /nfs/dbraw/zinc/19/55/23/153195523.db2.gz OTQXLZOYJRIFOC-NEPJUHHUSA-N 1 0 289.335 1.962 20 5 CDBDRO Cc1ccc(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000375248202 160357285 /nfs/dbraw/zinc/35/72/85/160357285.db2.gz DMGPBAKGJVMEKU-RISCZKNCSA-N 1 0 275.308 1.841 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)n1 ZINC000375349783 160371295 /nfs/dbraw/zinc/37/12/95/160371295.db2.gz PNLUCERHWHNKMZ-NEPJUHHUSA-N 1 0 280.328 1.435 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359288594 158200465 /nfs/dbraw/zinc/20/04/65/158200465.db2.gz ZSNWOWMFPVXEOR-CHWSQXEVSA-N 1 0 291.351 1.645 20 5 CDBDRO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000362086140 159066400 /nfs/dbraw/zinc/06/64/00/159066400.db2.gz IEEOCHHDEBDUGS-VXGBXAGGSA-N 1 0 280.324 1.534 20 5 CDBDRO CCOC(=O)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373247054 160185783 /nfs/dbraw/zinc/18/57/83/160185783.db2.gz YBPJVBYSHULUCZ-UHFFFAOYSA-N 1 0 296.327 1.381 20 5 CDBDRO C[C@@H]([NH2+]CC1(C)OCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284963173 196165468 /nfs/dbraw/zinc/16/54/68/196165468.db2.gz FMRDFSSBODOTGU-SECBINFHSA-N 1 0 281.312 1.591 20 5 CDBDRO COC[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000285308235 196246572 /nfs/dbraw/zinc/24/65/72/196246572.db2.gz SJMSGWFUXPBBTJ-GXSJLCMTSA-N 1 0 283.328 1.489 20 5 CDBDRO COC(C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000037394906 173175510 /nfs/dbraw/zinc/17/55/10/173175510.db2.gz ZXVHHIPGQNXDBD-SECBINFHSA-N 1 0 254.286 1.864 20 5 CDBDRO CS(=O)(=O)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000038047402 174056974 /nfs/dbraw/zinc/05/69/74/174056974.db2.gz NEJFANKUDOKXCX-UHFFFAOYSA-N 1 0 272.326 1.119 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000044501954 175185789 /nfs/dbraw/zinc/18/57/89/175185789.db2.gz MQUXEKOWGFCKQC-SECBINFHSA-N 1 0 297.742 1.978 20 5 CDBDRO COCCOCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000044725173 175237359 /nfs/dbraw/zinc/23/73/59/175237359.db2.gz DGSVQSFMRIQZPK-UHFFFAOYSA-N 1 0 268.313 1.656 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000071142894 176040632 /nfs/dbraw/zinc/04/06/32/176040632.db2.gz WXWFLNNQYURIEC-SECBINFHSA-N 1 0 281.287 1.415 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000071143906 176041162 /nfs/dbraw/zinc/04/11/62/176041162.db2.gz OCUQVHSAWCEPJZ-LLVKDONJSA-N 1 0 277.324 1.585 20 5 CDBDRO CCN(C(=O)c1csc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000071312454 176119156 /nfs/dbraw/zinc/11/91/56/176119156.db2.gz CPUCUELWCCTMOS-VIFPVBQESA-N 1 0 269.326 1.480 20 5 CDBDRO CCCN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000071315200 176121481 /nfs/dbraw/zinc/12/14/81/176121481.db2.gz OZQHTKJISOZKEL-SNVBAGLBSA-N 1 0 283.353 1.870 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1csc([N+](=O)[O-])c1 ZINC000071396991 176150887 /nfs/dbraw/zinc/15/08/87/176150887.db2.gz AEYBWVDCDCGLPA-QMMMGPOBSA-N 1 0 255.299 1.138 20 5 CDBDRO CC[NH2+]CCCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000517017564 270505702 /nfs/dbraw/zinc/50/57/02/270505702.db2.gz YEQJRKJNQDWMEX-UHFFFAOYSA-N 1 0 296.327 1.725 20 5 CDBDRO C[C@@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000415384075 274298391 /nfs/dbraw/zinc/29/83/91/274298391.db2.gz MJPAWHZOQWRKSG-NXEZZACHSA-N 1 0 293.327 1.003 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000268178031 274343473 /nfs/dbraw/zinc/34/34/73/274343473.db2.gz SAYZXCVHJIPVTD-SKDRFNHKSA-N 1 0 262.313 1.884 20 5 CDBDRO Cc1nn(C)c(N2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000301249549 274867721 /nfs/dbraw/zinc/86/77/21/274867721.db2.gz CRAWROPZIJVWTN-UHFFFAOYSA-N 1 0 281.360 1.415 20 5 CDBDRO O=[N+]([O-])c1cccc(CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000252666698 275039230 /nfs/dbraw/zinc/03/92/30/275039230.db2.gz ASELPBHSONJWDK-GJZGRUSLSA-N 1 0 291.351 1.548 20 5 CDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000261559447 275526490 /nfs/dbraw/zinc/52/64/90/275526490.db2.gz QAIMAQPEOJMMSN-LLVKDONJSA-N 1 0 265.313 1.698 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000307896062 275879049 /nfs/dbraw/zinc/87/90/49/275879049.db2.gz LKCCSIBNTQYFCM-NSHDSACASA-N 1 0 281.287 1.604 20 5 CDBDRO CC[C@@H](C)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296172225 276417403 /nfs/dbraw/zinc/41/74/03/276417403.db2.gz ZNWLLOWPIVQWQZ-LLVKDONJSA-N 1 0 264.329 1.910 20 5 CDBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000285601648 276553088 /nfs/dbraw/zinc/55/30/88/276553088.db2.gz BWLOQWYFDOCHJG-YPMHNXCESA-N 1 0 279.340 1.925 20 5 CDBDRO CN(c1ccc2cc([N+](=O)[O-])ccc2n1)[C@H]1CC[NH2+]C1 ZINC000071311807 277002997 /nfs/dbraw/zinc/00/29/97/277002997.db2.gz HWMFQNIQKTURGQ-LBPRGKRZSA-N 1 0 272.308 1.941 20 5 CDBDRO CNC(=O)[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449340393 277011558 /nfs/dbraw/zinc/01/15/58/277011558.db2.gz OJGCRCMUNHNTOO-UWVGGRQHSA-N 1 0 265.313 1.250 20 5 CDBDRO COc1ccc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000094339355 277402279 /nfs/dbraw/zinc/40/22/79/277402279.db2.gz OAIPZDGFZFCBNB-KOLCDFICSA-N 1 0 293.323 1.413 20 5 CDBDRO C[C@@H]1C[C@H](C)N(Cc2c([N+](=O)[O-])ncn2C)C[C@H]1C[NH3+] ZINC000422637000 278006097 /nfs/dbraw/zinc/00/60/97/278006097.db2.gz NYZDSKQOGDVQID-OUAUKWLOSA-N 1 0 281.360 1.134 20 5 CDBDRO C[C@@H](CO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192909431 278290648 /nfs/dbraw/zinc/29/06/48/278290648.db2.gz ZZZMFULOAVGKLA-TVQRCGJNSA-N 1 0 250.298 1.943 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH3+])c1 ZINC000122275956 278863087 /nfs/dbraw/zinc/86/30/87/278863087.db2.gz GXBZNDMOIPHMMM-UHFFFAOYSA-N 1 0 251.286 1.370 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331974967 279033933 /nfs/dbraw/zinc/03/39/33/279033933.db2.gz NLKUZZYCTZUTQN-GXFFZTMASA-N 1 0 289.335 1.872 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000261571829 279158854 /nfs/dbraw/zinc/15/88/54/279158854.db2.gz LIEZMPFXXARPBP-LBPRGKRZSA-N 1 0 253.277 1.909 20 5 CDBDRO CNc1ccc(C(=O)N(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000111821487 279325496 /nfs/dbraw/zinc/32/54/96/279325496.db2.gz UMDUBIKXRFXFGW-UHFFFAOYSA-N 1 0 280.328 1.270 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000288595421 280046064 /nfs/dbraw/zinc/04/60/64/280046064.db2.gz NLKUZZYCTZUTQN-ZWNOBZJWSA-N 1 0 289.335 1.872 20 5 CDBDRO COc1ccc(CN[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000414954617 280739267 /nfs/dbraw/zinc/73/92/67/280739267.db2.gz STZLBVSFQNTUHZ-JQWIXIFHSA-N 1 0 279.340 1.834 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000268037999 281012786 /nfs/dbraw/zinc/01/27/86/281012786.db2.gz NAGYYMXNORHSON-LBPRGKRZSA-N 1 0 279.340 1.670 20 5 CDBDRO CNc1ccc(C(=O)NCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000519806450 281039429 /nfs/dbraw/zinc/03/94/29/281039429.db2.gz GIVJXXKVVFLEOI-UHFFFAOYSA-N 1 0 292.339 1.366 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000086467348 288327702 /nfs/dbraw/zinc/32/77/02/288327702.db2.gz GNWJOFFDEWVEEU-VHSXEESVSA-N 1 0 263.297 1.417 20 5 CDBDRO Cc1c(CNC(=O)[C@H]2CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000556729586 290289314 /nfs/dbraw/zinc/28/93/14/290289314.db2.gz GQTDQPCLFPKTKY-LBPRGKRZSA-N 1 0 277.324 1.471 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000565352682 293596693 /nfs/dbraw/zinc/59/66/93/293596693.db2.gz MZABZCJJPMJWPE-ZYHUDNBSSA-N 1 0 292.339 1.474 20 5 CDBDRO C[C@H](CCCC[NH3+])NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000567167887 293727615 /nfs/dbraw/zinc/72/76/15/293727615.db2.gz XHIFLYULGJNGPZ-SECBINFHSA-N 1 0 280.328 1.424 20 5 CDBDRO CO[C@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000568079067 293947668 /nfs/dbraw/zinc/94/76/68/293947668.db2.gz ASPUFBSMKMXHJX-GHMZBOCLSA-N 1 0 295.339 1.936 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000568625216 294070451 /nfs/dbraw/zinc/07/04/51/294070451.db2.gz YRQGBFQFLUZWNT-QMTHXVAHSA-N 1 0 289.335 1.478 20 5 CDBDRO C[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000568770766 294100062 /nfs/dbraw/zinc/10/00/62/294100062.db2.gz PKBDQZNLBFCOIN-ZJUUUORDSA-N 1 0 295.343 1.311 20 5 CDBDRO C[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000568770765 294100085 /nfs/dbraw/zinc/10/00/85/294100085.db2.gz PKBDQZNLBFCOIN-VHSXEESVSA-N 1 0 295.343 1.311 20 5 CDBDRO CC(C)(NC(=O)C[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000570624821 294274074 /nfs/dbraw/zinc/27/40/74/294274074.db2.gz KDLKTWWSFMDGRY-UHFFFAOYSA-N 1 0 277.324 1.698 20 5 CDBDRO CC1(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000571156751 294377719 /nfs/dbraw/zinc/37/77/19/294377719.db2.gz VPAKYFGFUVSOPJ-UHFFFAOYSA-N 1 0 276.340 1.912 20 5 CDBDRO O=c1c2cc([N+](=O)[O-])sc2ncn1CC[C@@H]1CC[NH2+]C1 ZINC000571204416 294389181 /nfs/dbraw/zinc/38/91/81/294389181.db2.gz VKPKRBLPJMFONT-QMMMGPOBSA-N 1 0 294.336 1.366 20 5 CDBDRO C[C@@H]1C[C@H](C)N(Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1C[NH3+] ZINC000422637002 297367357 /nfs/dbraw/zinc/36/73/57/297367357.db2.gz NYZDSKQOGDVQID-VWYCJHECSA-N 1 0 281.360 1.134 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000576929286 317232054 /nfs/dbraw/zinc/23/20/54/317232054.db2.gz JJSVFQOJIDXGRY-LBPRGKRZSA-N 1 0 276.340 1.816 20 5 CDBDRO C[C@@H](C[S@](C)=O)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000185122170 323382702 /nfs/dbraw/zinc/38/27/02/323382702.db2.gz KSGJAMAUXNEQMV-WLRWDXFRSA-N 1 0 284.381 1.836 20 5 CDBDRO COc1cc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000382460635 323642221 /nfs/dbraw/zinc/64/22/21/323642221.db2.gz VREYTCTVJZOUOJ-KOLCDFICSA-N 1 0 293.323 1.461 20 5 CDBDRO O=C(NCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000579731648 324270649 /nfs/dbraw/zinc/27/06/49/324270649.db2.gz NSLGNZPTDOIWLY-CYBMUJFWSA-N 1 0 289.335 1.698 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2ccc(CC[NH3+])n2)c1 ZINC001167732290 1159585653 /nfs/dbraw/zinc/58/56/53/1159585653.db2.gz VXHGOTYUEWDOCN-UHFFFAOYSA-N 1 0 290.279 1.068 20 5 CDBDRO Cc1c(CNC(=O)N(C)CC[NH3+])cccc1[N+](=O)[O-] ZINC000418080287 533852174 /nfs/dbraw/zinc/85/21/74/533852174.db2.gz MAKVQBMNIKQJOF-UHFFFAOYSA-N 1 0 266.301 1.003 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000449642232 518197837 /nfs/dbraw/zinc/19/78/37/518197837.db2.gz FYBFXFZXQWEACP-BDAKNGLRSA-N 1 0 266.301 1.170 20 5 CDBDRO COc1cc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000234913290 522097666 /nfs/dbraw/zinc/09/76/66/522097666.db2.gz WFNRZDNYVBOFPE-WCBMZHEXSA-N 1 0 279.296 1.023 20 5 CDBDRO COCC[NH+](CCOC)Cc1ccc([N+](=O)[O-])cc1 ZINC000060992356 523718840 /nfs/dbraw/zinc/71/88/40/523718840.db2.gz UARNAFVKOLDIRZ-UHFFFAOYSA-N 1 0 268.313 1.690 20 5 CDBDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000037997190 523969033 /nfs/dbraw/zinc/96/90/33/523969033.db2.gz DVUUBHBRJUFGDL-NSHDSACASA-N 1 0 279.340 1.989 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000063192920 524839701 /nfs/dbraw/zinc/83/97/01/524839701.db2.gz OIOZEQNXEGWOHG-ONGXEEELSA-N 1 0 280.328 1.275 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000226780772 524844984 /nfs/dbraw/zinc/84/49/84/524844984.db2.gz QWRRTZHUWJWSKI-JGVFFNPUSA-N 1 0 256.331 1.615 20 5 CDBDRO C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000050163980 525730109 /nfs/dbraw/zinc/73/01/09/525730109.db2.gz KUWGGCJRMZLXJW-ZJUUUORDSA-N 1 0 250.302 1.790 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)NC2)cc1[N+](=O)[O-] ZINC000111018285 525937804 /nfs/dbraw/zinc/93/78/04/525937804.db2.gz HDNWORNYPLTISM-CMPLNLGQSA-N 1 0 277.324 1.832 20 5 CDBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000070169961 527193917 /nfs/dbraw/zinc/19/39/17/527193917.db2.gz YGSILNNMBOWBAK-SECBINFHSA-N 1 0 266.301 1.124 20 5 CDBDRO CC(C)([NH2+]CCOCCO)c1ccccc1[N+](=O)[O-] ZINC000292057339 527291278 /nfs/dbraw/zinc/29/12/78/527291278.db2.gz CGGPBJKAPFALHM-UHFFFAOYSA-N 1 0 268.313 1.428 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000069137343 527347679 /nfs/dbraw/zinc/34/76/79/527347679.db2.gz CQNTVNDJLXFPEL-GFCCVEGCSA-N 1 0 298.364 1.304 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH2+]CCO2)c2ccncc21 ZINC000157406336 527365866 /nfs/dbraw/zinc/36/58/66/527365866.db2.gz FVUJEAZWVMZFBJ-JTQLQIEISA-N 1 0 288.307 1.543 20 5 CDBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000184954393 527416368 /nfs/dbraw/zinc/41/63/68/527416368.db2.gz CQBCNCJSFLCHQA-YUTCNCBUSA-N 1 0 289.335 1.333 20 5 CDBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000291573658 527990495 /nfs/dbraw/zinc/99/04/95/527990495.db2.gz PHNJBJMDVKRNBR-SECBINFHSA-N 1 0 283.332 1.168 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000262600619 535032539 /nfs/dbraw/zinc/03/25/39/535032539.db2.gz OUPMKUXRLRTQKJ-SECBINFHSA-N 1 0 280.328 1.424 20 5 CDBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H]1OC ZINC000252777484 535413524 /nfs/dbraw/zinc/41/35/24/535413524.db2.gz KWAJXYJYOPTYLW-MRVWCRGKSA-N 1 0 280.324 1.877 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H](C[NH3+])C[C@H]1C ZINC000261617700 535969646 /nfs/dbraw/zinc/96/96/46/535969646.db2.gz UGGPZADLABUWAP-SCZZXKLOSA-N 1 0 267.333 1.293 20 5 CDBDRO COC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000262381845 536668217 /nfs/dbraw/zinc/66/82/17/536668217.db2.gz XZBURFVIDWNYMG-MWLCHTKSSA-N 1 0 281.312 1.054 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000727829148 574600511 /nfs/dbraw/zinc/60/05/11/574600511.db2.gz GDOFJLNARFCWPA-SECBINFHSA-N 1 0 291.311 1.661 20 5 CDBDRO C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000761080665 576544689 /nfs/dbraw/zinc/54/46/89/576544689.db2.gz VCQDYLNMKLOCOV-LBPRGKRZSA-N 1 0 279.340 1.610 20 5 CDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000770545371 575463906 /nfs/dbraw/zinc/46/39/06/575463906.db2.gz MIWLMLPIWCOXAC-JTQLQIEISA-N 1 0 296.327 1.011 20 5 CDBDRO C[C@@H]1[C@H](C)N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000771463806 575581453 /nfs/dbraw/zinc/58/14/53/575581453.db2.gz ZKSZMMDTSCRQED-TYNCELHUSA-N 1 0 293.367 1.653 20 5 CDBDRO Cc1c(C(=O)NOC2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000773548590 575823282 /nfs/dbraw/zinc/82/32/82/575823282.db2.gz ZDAYCPURVLXPAP-UHFFFAOYSA-N 1 0 293.323 1.659 20 5 CDBDRO C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000761078300 576543961 /nfs/dbraw/zinc/54/39/61/576543961.db2.gz BKFXMJMYPJLLCC-GFCCVEGCSA-N 1 0 263.341 1.773 20 5 CDBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000890885397 617345490 /nfs/dbraw/zinc/34/54/90/617345490.db2.gz FUTAVPPDLYAZCG-UHFFFAOYSA-N 1 0 296.371 1.593 20 5 CDBDRO CC[NH+](CC)CCCNc1c([N+](=O)[O-])cnn1C ZINC000891434619 617391943 /nfs/dbraw/zinc/39/19/43/617391943.db2.gz PFAQZFZSMXISKJ-UHFFFAOYSA-N 1 0 255.322 1.472 20 5 CDBDRO C[C@@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC000891752353 617569460 /nfs/dbraw/zinc/56/94/60/617569460.db2.gz ZOAMMTKEEDZZTL-VWYCJHECSA-N 1 0 290.323 1.412 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2ccc3nonc3c2[N+](=O)[O-])C1 ZINC000892288255 617698380 /nfs/dbraw/zinc/69/83/80/617698380.db2.gz MADKVNQZSUQKJT-VIFPVBQESA-N 1 0 291.311 1.661 20 5 CDBDRO COc1c(O)ccc(C[NH2+]CC[C@@H](C)OC)c1[N+](=O)[O-] ZINC000892807163 617770540 /nfs/dbraw/zinc/77/05/40/617770540.db2.gz QMWKUJYUBNDLEW-SECBINFHSA-N 1 0 284.312 1.824 20 5 CDBDRO CN(CC[NH3+])C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818010887 618493654 /nfs/dbraw/zinc/49/36/54/618493654.db2.gz ZFBMPYRXPXCZQW-UHFFFAOYSA-N 1 0 289.694 1.347 20 5 CDBDRO CC1(C)OC[C@H](CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)O1 ZINC000894453616 618891582 /nfs/dbraw/zinc/89/15/82/618891582.db2.gz HBUINMAKTXYFMW-ZDUSSCGKSA-N 1 0 295.339 1.511 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CCCC[N@H+](C)C1 ZINC000894728386 619032130 /nfs/dbraw/zinc/03/21/30/619032130.db2.gz HUZZHRPHIXGOOE-SNVBAGLBSA-N 1 0 267.333 1.472 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@@H]2CO[C@H](C)C2)c1[N+](=O)[O-] ZINC000895125256 619320517 /nfs/dbraw/zinc/32/05/17/619320517.db2.gz SOSWGHGPVWYXNP-SCZZXKLOSA-N 1 0 282.296 1.576 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2c1ccc([N+](=O)[O-])nc1 ZINC000895192022 619442463 /nfs/dbraw/zinc/44/24/63/619442463.db2.gz WGHYNEXKYDOLFR-CMPLNLGQSA-N 1 0 262.313 1.663 20 5 CDBDRO Cc1cc(N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)ncc1[N+](=O)[O-] ZINC000895192643 619443001 /nfs/dbraw/zinc/44/30/01/619443001.db2.gz JKCYBWBZORGELG-NWDGAFQWSA-N 1 0 276.340 1.971 20 5 CDBDRO C[N@@H+]1CC[C@H]1CNc1nc2ccccn2c1[N+](=O)[O-] ZINC000895775473 619839758 /nfs/dbraw/zinc/83/97/58/619839758.db2.gz AZFUTJUYXGTJPL-VIFPVBQESA-N 1 0 261.285 1.359 20 5 CDBDRO NOCCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000902422969 624791878 /nfs/dbraw/zinc/79/18/78/624791878.db2.gz HOFJHYPBSPGDDF-ZDUSSCGKSA-N 1 0 265.313 1.842 20 5 CDBDRO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000905213874 626694839 /nfs/dbraw/zinc/69/48/39/626694839.db2.gz RXLNNDCBCBXBKU-TZMCWYRMSA-N 1 0 263.341 1.373 20 5 CDBDRO O=[N+]([O-])CCNc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000905313958 626744338 /nfs/dbraw/zinc/74/43/38/626744338.db2.gz NXWYIJAVHVWFCN-UHFFFAOYSA-N 1 0 295.408 1.967 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000905348611 626762378 /nfs/dbraw/zinc/76/23/78/626762378.db2.gz GIKOATMJZNDFEI-SNVBAGLBSA-N 1 0 279.123 1.893 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC[C@@H](O)C2CC2)c1 ZINC000905690213 626918178 /nfs/dbraw/zinc/91/81/78/626918178.db2.gz GITPBEYETFSSCC-KGLIPLIRSA-N 1 0 280.324 1.379 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C/C=C/Cl ZINC000905708482 626935004 /nfs/dbraw/zinc/93/50/04/626935004.db2.gz PGCDCGXKCGEWIG-QLCVYAKKSA-N 1 0 286.715 1.677 20 5 CDBDRO CC[N@@H+]1CCCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000910286377 628961750 /nfs/dbraw/zinc/96/17/50/628961750.db2.gz GTBXHERKYIGXSL-SECBINFHSA-N 1 0 295.343 1.183 20 5 CDBDRO CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C)C1 ZINC000910296934 629006530 /nfs/dbraw/zinc/00/65/30/629006530.db2.gz SGFHXXYMFBDJSL-JTQLQIEISA-N 1 0 281.312 1.744 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911828795 629558251 /nfs/dbraw/zinc/55/82/51/629558251.db2.gz CMDFHVWSUOGTSW-MELADBBJSA-N 1 0 291.351 1.798 20 5 CDBDRO CC(C)C[C@@H]([NH3+])CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000912273661 629905471 /nfs/dbraw/zinc/90/54/71/629905471.db2.gz ITDCSMQMIMIXCI-GFCCVEGCSA-N 1 0 279.340 1.975 20 5 CDBDRO CC[C@H](O)C[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170297421 1162327987 /nfs/dbraw/zinc/32/79/87/1162327987.db2.gz NZLOYKDYPUYTBW-JQWIXIFHSA-N 1 0 282.340 1.895 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]CCO)c([N+](=O)[O-])c1 ZINC001170299284 1162328402 /nfs/dbraw/zinc/32/84/02/1162328402.db2.gz URSUUSQHIILSBX-VIFPVBQESA-N 1 0 254.286 1.116 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]CC2(F)COC2)c([N+](=O)[O-])c1 ZINC001170311015 1162333958 /nfs/dbraw/zinc/33/39/58/1162333958.db2.gz YOUZHARUEVQWID-SNVBAGLBSA-N 1 0 298.314 1.863 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]CC[C@@H](C)O)c([N+](=O)[O-])c1 ZINC001170317195 1162335716 /nfs/dbraw/zinc/33/57/16/1162335716.db2.gz BQTQCMHEGVALIA-GHMZBOCLSA-N 1 0 282.340 1.895 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCCN1c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001157742107 1162377048 /nfs/dbraw/zinc/37/70/48/1162377048.db2.gz CPTKHJSCWBNEMU-WPRPVWTQSA-N 1 0 275.312 1.787 20 5 CDBDRO CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])cn2)CC[NH2+]C1 ZINC001170513280 1162711841 /nfs/dbraw/zinc/71/18/41/1162711841.db2.gz GKRRWCUXBACMFO-UHFFFAOYSA-N 1 0 292.295 1.212 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H](C)[NH2+][C@@H](C)C2)n1 ZINC001158175684 1162754730 /nfs/dbraw/zinc/75/47/30/1162754730.db2.gz HTXHWDQNPLZYLE-KNVOCYPGSA-N 1 0 285.735 1.533 20 5 CDBDRO C[NH+](C)CCCCO[C@@H](C[N+](=O)[O-])c1cccnc1 ZINC001224991214 1160989653 /nfs/dbraw/zinc/98/96/53/1160989653.db2.gz ORWYYOCJYUIHJN-ZDUSSCGKSA-N 1 0 267.329 1.758 20 5 CDBDRO [NH3+][C@H]1CCc2nn(-c3c(Cl)cncc3[N+](=O)[O-])cc2C1 ZINC001168822920 1161989249 /nfs/dbraw/zinc/98/92/49/1161989249.db2.gz YOAJFOGBABGLDP-QMMMGPOBSA-N 1 0 293.714 1.645 20 5 CDBDRO O=C(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168966591 1161995585 /nfs/dbraw/zinc/99/55/85/1161995585.db2.gz JPJNNALBVSIREE-YPMHNXCESA-N 1 0 262.309 1.904 20 5 CDBDRO CC(C)C(=O)NC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169030369 1161998182 /nfs/dbraw/zinc/99/81/82/1161998182.db2.gz ZBWPJDRNORFMAL-OCCSQVGLSA-N 1 0 297.399 1.668 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC(C)(C)[NH3+] ZINC000876539137 1165867332 /nfs/dbraw/zinc/86/73/32/1165867332.db2.gz WELNRDMURBHEPG-UHFFFAOYSA-N 1 0 265.313 1.679 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)[NH3+] ZINC000876835250 1165926134 /nfs/dbraw/zinc/92/61/34/1165926134.db2.gz YBEXLEYMPYPAAJ-QMMMGPOBSA-N 1 0 251.286 1.289 20 5 CDBDRO O=[N+]([O-])c1ccnc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001155592809 1167249461 /nfs/dbraw/zinc/24/94/61/1167249461.db2.gz SIEUZDPLDQKPMD-BXUZGUMPSA-N 1 0 292.339 1.560 20 5 CDBDRO C[C@@H](C[NH2+]Cc1ccc(N)nn1)c1ccccc1[N+](=O)[O-] ZINC001576032298 1171318225 /nfs/dbraw/zinc/31/82/25/1171318225.db2.gz BRYWYXQODRXCMM-JTQLQIEISA-N 1 0 287.323 1.860 20 5 CDBDRO CCN(C(=O)c1cc([N+](=O)[O-])cc(C)n1)C1CC[NH2+]CC1 ZINC001577643712 1171711686 /nfs/dbraw/zinc/71/16/86/1171711686.db2.gz OBFYJVPMJXTWJO-UHFFFAOYSA-N 1 0 292.339 1.512 20 5 CDBDRO Cc1c(OC[C@H]2CC3(C[NH2+]C3)C(=O)O2)cccc1[N+](=O)[O-] ZINC001579541204 1172208952 /nfs/dbraw/zinc/20/89/52/1172208952.db2.gz KRSARGDWLCSZNA-SNVBAGLBSA-N 1 0 292.291 1.187 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2C[C@@H]([NH3+])C23CCC3)n1 ZINC001579642500 1172232200 /nfs/dbraw/zinc/23/22/00/1172232200.db2.gz IQNCAUNHQVJECE-NEPJUHHUSA-N 1 0 290.323 1.298 20 5 CDBDRO CN(CC[NH2+]CCCC1CCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001753188054 1185111164 /nfs/dbraw/zinc/11/11/64/1185111164.db2.gz HIAOPFCHEVZCRR-ZIAGYGMSSA-N 1 0 297.399 1.670 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])c(N)n1 ZINC001164634808 719213251 /nfs/dbraw/zinc/21/32/51/719213251.db2.gz HBDODGNNLLUGEC-RKDXNWHRSA-N 1 0 265.317 1.101 20 5 CDBDRO C[C@H](CCCO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843079707 742808996 /nfs/dbraw/zinc/80/89/96/742808996.db2.gz LXOSGLJQSNSKHW-MFKMUULPSA-N 1 0 268.313 1.379 20 5 CDBDRO C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000086468398 739239520 /nfs/dbraw/zinc/23/95/20/739239520.db2.gz LNSBSXVUKOCTFR-ZJUUUORDSA-N 1 0 278.312 1.809 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1COCCO1 ZINC000873016431 739328175 /nfs/dbraw/zinc/32/81/75/739328175.db2.gz KJMNASXRUDGJIK-GFCCVEGCSA-N 1 0 280.324 1.717 20 5 CDBDRO CC[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000886838497 739513837 /nfs/dbraw/zinc/51/38/37/739513837.db2.gz YSJIHHAIOHBXOX-ZYHUDNBSSA-N 1 0 264.329 1.549 20 5 CDBDRO C[C@H](C[NH3+])CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000841049531 739525681 /nfs/dbraw/zinc/52/56/81/739525681.db2.gz TZRWQQHVJFSLAZ-MRVPVSSYSA-N 1 0 257.721 1.933 20 5 CDBDRO O=[N+]([O-])CCN(CC[NH+]1CCCCCC1)C1CCC1 ZINC000930488998 739654828 /nfs/dbraw/zinc/65/48/28/739654828.db2.gz OCTNNQDQMXIIGZ-UHFFFAOYSA-N 1 0 269.389 1.994 20 5 CDBDRO C[N@@H+]1CC[C@H](CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804429177 739667191 /nfs/dbraw/zinc/66/71/91/739667191.db2.gz GBPURIFMPYPICG-SECBINFHSA-N 1 0 280.284 1.867 20 5 CDBDRO C/C=C\C[C@H](CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843077032 739790928 /nfs/dbraw/zinc/79/09/28/739790928.db2.gz KQLCTZLFAZULJU-DEOOVVBZSA-N 1 0 280.324 1.545 20 5 CDBDRO O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000931997625 739803516 /nfs/dbraw/zinc/80/35/16/739803516.db2.gz LPIRDUIQHZEXHG-SNVBAGLBSA-N 1 0 294.307 1.495 20 5 CDBDRO CC(C)(CCc1noc(C2CC[NH2+]CC2)n1)[N+](=O)[O-] ZINC000843232812 739809581 /nfs/dbraw/zinc/80/95/81/739809581.db2.gz DQJICELMYRCZLI-UHFFFAOYSA-N 1 0 268.317 1.525 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H](O)CC2)cc1 ZINC000815296933 739857914 /nfs/dbraw/zinc/85/79/14/739857914.db2.gz INKFRDKHEFWGNC-KBPBESRZSA-N 1 0 280.324 1.475 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H](CCCO)C2)c1 ZINC000832783334 739882054 /nfs/dbraw/zinc/88/20/54/739882054.db2.gz QCJGMHNVAQHELX-IUODEOHRSA-N 1 0 294.351 1.723 20 5 CDBDRO CC(C)(C)[C@@H]([NH3+])CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000136940230 740215443 /nfs/dbraw/zinc/21/54/43/740215443.db2.gz LLWRCOJYACBOMS-LBPRGKRZSA-N 1 0 279.340 1.975 20 5 CDBDRO CC(C)(CCC(=O)OCC[NH+]1CCCCC1)[N+](=O)[O-] ZINC000837925141 740288750 /nfs/dbraw/zinc/28/87/50/740288750.db2.gz LBQURUNNJVQBCE-UHFFFAOYSA-N 1 0 272.345 1.851 20 5 CDBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000876998220 740299316 /nfs/dbraw/zinc/29/93/16/740299316.db2.gz DJGNLINJDVQWKL-CYBMUJFWSA-N 1 0 295.314 1.804 20 5 CDBDRO COc1cc(C[NH2+]C[C@H]2CCN2C)c([N+](=O)[O-])cc1OC ZINC000922573894 740314104 /nfs/dbraw/zinc/31/41/04/740314104.db2.gz GPXBHMDOPQHVDH-LLVKDONJSA-N 1 0 295.339 1.406 20 5 CDBDRO CC(C)(O)[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886315658 740395571 /nfs/dbraw/zinc/39/55/71/740395571.db2.gz WIUIHCZGZLQHSG-LLVKDONJSA-N 1 0 265.313 1.583 20 5 CDBDRO [NH3+]C1CCC(NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000135222366 740438693 /nfs/dbraw/zinc/43/86/93/740438693.db2.gz DUICFIFBDCYVJV-UHFFFAOYSA-N 1 0 281.287 1.734 20 5 CDBDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000714037321 740523286 /nfs/dbraw/zinc/52/32/86/740523286.db2.gz RZYOKAYXXCKWHS-TZMCWYRMSA-N 1 0 280.324 1.078 20 5 CDBDRO CCS(=O)(=O)c1ccc([C@@H](C)NCC[N+](=O)[O-])cc1 ZINC000930383046 740664356 /nfs/dbraw/zinc/66/43/56/740664356.db2.gz YZWNTKLOGUWYHS-SNVBAGLBSA-N 1 0 286.353 1.408 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000877535555 740724096 /nfs/dbraw/zinc/72/40/96/740724096.db2.gz PVOYXIWUCBDDEO-LBPRGKRZSA-N 1 0 291.351 1.909 20 5 CDBDRO CC(C)[C@@H]1CN(Cn2nccc2[N+](=O)[O-])CCS1 ZINC000173481493 740728404 /nfs/dbraw/zinc/72/84/04/740728404.db2.gz UJZMGOVADDBQPT-JTQLQIEISA-N 1 0 270.358 1.822 20 5 CDBDRO CNC(=O)c1ccc(NC[C@@H]2CC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000712554902 740837099 /nfs/dbraw/zinc/83/70/99/740837099.db2.gz DSRPCGDPXUWALE-JTQLQIEISA-N 1 0 278.312 1.070 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[C@@H]1CC[NH2+]C1 ZINC000091549366 740888926 /nfs/dbraw/zinc/88/89/26/740888926.db2.gz BDFXNFQRSJMDER-JTQLQIEISA-N 1 0 267.333 1.531 20 5 CDBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cccnc1[N+](=O)[O-] ZINC000886202917 740892163 /nfs/dbraw/zinc/89/21/63/740892163.db2.gz HYCIKEHARFWAPE-MEBFFEOJSA-N 1 0 289.335 1.845 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCn2cccn2)cc1 ZINC000135784878 740906385 /nfs/dbraw/zinc/90/63/85/740906385.db2.gz XSBFPNBDIGDJNJ-AWEZNQCLSA-N 1 0 290.323 1.505 20 5 CDBDRO C[NH2+]C[C@H](C)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000843191909 740986892 /nfs/dbraw/zinc/98/68/92/740986892.db2.gz NSZWMJNSCLBZKN-QMMMGPOBSA-N 1 0 277.284 1.287 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1COC[C@H]1O ZINC000872076848 741012501 /nfs/dbraw/zinc/01/25/01/741012501.db2.gz UMWKYKVBPJKYFV-GGZOMVNGSA-N 1 0 298.364 1.727 20 5 CDBDRO CN(Cc1ccon1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583971 741055431 /nfs/dbraw/zinc/05/54/31/741055431.db2.gz HVQPBKNDWRGWLC-ZDUSSCGKSA-N 1 0 277.280 1.748 20 5 CDBDRO COC(=O)N[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000886862043 741204576 /nfs/dbraw/zinc/20/45/76/741204576.db2.gz WBTHETCYGQRTFR-NSHDSACASA-N 1 0 279.296 1.525 20 5 CDBDRO Cc1nc(N2C[C@H](C)[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000122695117 741114401 /nfs/dbraw/zinc/11/44/01/741114401.db2.gz QQOVLSYCCKAFNN-IUCAKERBSA-N 1 0 250.302 1.485 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000715540140 741318576 /nfs/dbraw/zinc/31/85/76/741318576.db2.gz PZSJYIBFKCUIRR-VHSXEESVSA-N 1 0 280.328 1.980 20 5 CDBDRO CN(CCO)Cc1cc([N+](=O)[O-])ccc1Br ZINC000929245453 741466799 /nfs/dbraw/zinc/46/67/99/741466799.db2.gz VDHRUNQSHOAJTC-UHFFFAOYSA-N 1 0 289.129 1.781 20 5 CDBDRO Cc1ccc(C[NH2+]CC[S@](C)=O)cc1[N+](=O)[O-] ZINC000134737321 741516920 /nfs/dbraw/zinc/51/69/20/741516920.db2.gz CQIYRZWVKSRAPD-QGZVFWFLSA-N 1 0 256.327 1.371 20 5 CDBDRO C[C@@H]([N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000831020746 741605681 /nfs/dbraw/zinc/60/56/81/741605681.db2.gz VATRUQARXMDXNT-MFKMUULPSA-N 1 0 282.340 1.719 20 5 CDBDRO C[N@@H+]1CCN(CC[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000930377377 741615156 /nfs/dbraw/zinc/61/51/56/741615156.db2.gz SSQMYWAPNPJOJK-CQSZACIVSA-N 1 0 263.341 1.122 20 5 CDBDRO Cc1cc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000841867742 741833370 /nfs/dbraw/zinc/83/33/70/741833370.db2.gz WVNWKORYHHXFEF-AWEZNQCLSA-N 1 0 290.323 1.460 20 5 CDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C[NH2+]1 ZINC000086471533 741821466 /nfs/dbraw/zinc/82/14/66/741821466.db2.gz MRRSQBGOOCTGHL-BDAKNGLRSA-N 1 0 253.277 1.921 20 5 CDBDRO [NH3+]CC1(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000841490900 741848774 /nfs/dbraw/zinc/84/87/74/741848774.db2.gz MMCMTLVACQLOPJ-UHFFFAOYSA-N 1 0 274.280 1.926 20 5 CDBDRO Nc1ccc(-c2noc(CCCCC[NH3+])n2)cc1[N+](=O)[O-] ZINC000822633684 741852113 /nfs/dbraw/zinc/85/21/13/741852113.db2.gz AMUOIOQZDBIZQK-UHFFFAOYSA-N 1 0 291.311 1.899 20 5 CDBDRO C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000235346564 741868115 /nfs/dbraw/zinc/86/81/15/741868115.db2.gz NDQQHVLTWFUCJO-VXNVDRBHSA-N 1 0 283.715 1.667 20 5 CDBDRO CC[C@H](O)CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000135046969 741882768 /nfs/dbraw/zinc/88/27/68/741882768.db2.gz OIAWSSZNVJFCNP-QWHCGFSZSA-N 1 0 268.313 1.379 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000322989972 741892043 /nfs/dbraw/zinc/89/20/43/741892043.db2.gz COEGIMSYRUIBKB-MRVPVSSYSA-N 1 0 285.731 1.862 20 5 CDBDRO C[C@@H]([NH3+])CN(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000863566933 741993718 /nfs/dbraw/zinc/99/37/18/741993718.db2.gz AOXOIEIYXZHCIE-SECBINFHSA-N 1 0 291.311 1.424 20 5 CDBDRO C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000923287216 742031999 /nfs/dbraw/zinc/03/19/99/742031999.db2.gz SUYBABNKQFEKPH-WDMOLILDSA-N 1 0 279.340 1.310 20 5 CDBDRO Cc1cc(F)cc(C(=O)NC[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000816833334 742307916 /nfs/dbraw/zinc/30/79/16/742307916.db2.gz FAOZRSTZELDUDP-VIFPVBQESA-N 1 0 297.330 1.970 20 5 CDBDRO COC(=O)[C@H](C)C[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000048336219 742373367 /nfs/dbraw/zinc/37/33/67/742373367.db2.gz MWVUDESJNCJUJL-SECBINFHSA-N 1 0 284.287 1.975 20 5 CDBDRO C[C@@H](N[C@@H]1C[NH2+]CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000925591777 739301069 /nfs/dbraw/zinc/30/10/69/739301069.db2.gz AWSGSCCRPRZYMF-ZYHUDNBSSA-N 1 0 265.313 1.234 20 5 CDBDRO CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C1C[NH2+]C1 ZINC000843125786 739400063 /nfs/dbraw/zinc/40/00/63/739400063.db2.gz ACMXSWZXNHGOFZ-UHFFFAOYSA-N 1 0 255.705 1.652 20 5 CDBDRO Cc1c(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000873119864 739425174 /nfs/dbraw/zinc/42/51/74/739425174.db2.gz QFMHPMNOIPRSEP-ZIAGYGMSSA-N 1 0 294.351 1.638 20 5 CDBDRO C[C@@H](CCO)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000844451292 739569591 /nfs/dbraw/zinc/56/95/91/739569591.db2.gz SHKFKROQZNNEAF-GWCFXTLKSA-N 1 0 268.313 1.331 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H](CCO)C2)cc1 ZINC000776581916 739788981 /nfs/dbraw/zinc/78/89/81/739788981.db2.gz IZAGULXSLXADLU-IUODEOHRSA-N 1 0 294.351 1.723 20 5 CDBDRO C[C@@H](CCO)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843079402 739902947 /nfs/dbraw/zinc/90/29/47/739902947.db2.gz YIKXDXKFQREJNS-GXFFZTMASA-N 1 0 268.313 1.236 20 5 CDBDRO CC1(C)OC[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)O1 ZINC000819153282 740037638 /nfs/dbraw/zinc/03/76/38/740037638.db2.gz AJQCAGANVPRGRT-STQMWFEESA-N 1 0 296.323 1.369 20 5 CDBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000715540136 740176076 /nfs/dbraw/zinc/17/60/76/740176076.db2.gz PZSJYIBFKCUIRR-UWVGGRQHSA-N 1 0 280.328 1.980 20 5 CDBDRO C[C@H]1CCC[N@@H+]1CCNc1c([N+](=O)[O-])cnn1C ZINC000892715378 740207408 /nfs/dbraw/zinc/20/74/08/740207408.db2.gz ZCAHPVXFJIANJJ-VIFPVBQESA-N 1 0 253.306 1.225 20 5 CDBDRO C[C@H](CO)CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000228353040 740386772 /nfs/dbraw/zinc/38/67/72/740386772.db2.gz QCHBJSQUXRYEGL-FZMZJTMJSA-N 1 0 282.340 1.626 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCN1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000840092390 740609668 /nfs/dbraw/zinc/60/96/68/740609668.db2.gz VGXZTGVJRPHJRN-NSHDSACASA-N 1 0 267.333 1.083 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000864442762 740636755 /nfs/dbraw/zinc/63/67/55/740636755.db2.gz QZPBGQVLTOFGMR-UHFFFAOYSA-N 1 0 295.314 1.441 20 5 CDBDRO CCS(=O)(=O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231885536 740670500 /nfs/dbraw/zinc/67/05/00/740670500.db2.gz BETLVMSXLWGBDQ-UHFFFAOYSA-N 1 0 286.353 1.428 20 5 CDBDRO CC[N@H+](CCC(=O)NC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000933861611 740762410 /nfs/dbraw/zinc/76/24/10/740762410.db2.gz DKHIGTMYPFXJCA-UHFFFAOYSA-N 1 0 295.339 1.561 20 5 CDBDRO O=C1NCCC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000839195948 741047943 /nfs/dbraw/zinc/04/79/43/741047943.db2.gz PVOJVSASHGGCNH-SECBINFHSA-N 1 0 297.742 1.864 20 5 CDBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C2)C1 ZINC000832869931 741081792 /nfs/dbraw/zinc/08/17/92/741081792.db2.gz AIMSHMSROPGSNK-OAHLLOKOSA-N 1 0 297.399 1.766 20 5 CDBDRO CN(Cc1cc(F)ccc1[N+](=O)[O-])[C@@]1(CO)CCOC1 ZINC000782175963 741106693 /nfs/dbraw/zinc/10/66/93/741106693.db2.gz KFAHMAZAHIDEOF-CYBMUJFWSA-N 1 0 284.287 1.317 20 5 CDBDRO C[C@H]([NH2+]C[C@@H]1CCCNC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840825970 741294882 /nfs/dbraw/zinc/29/48/82/741294882.db2.gz NXDGNJURSHDSLL-ONGXEEELSA-N 1 0 292.339 1.354 20 5 CDBDRO C[C@H](O)C[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843078487 741351169 /nfs/dbraw/zinc/35/11/69/741351169.db2.gz BEIJRKWVEWPNSI-KWBADKCTSA-N 1 0 268.313 1.377 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866372071 741552159 /nfs/dbraw/zinc/55/21/59/741552159.db2.gz CSQBHANSFOZMLL-LJWDBELGSA-N 1 0 298.314 1.668 20 5 CDBDRO O=C(OC[C@H]1CCC[N@@H+]1Cc1ccco1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842326144 741667539 /nfs/dbraw/zinc/66/75/39/741667539.db2.gz GLKQCWAQWAQMOR-RAIGVLPGSA-N 1 0 294.307 1.452 20 5 CDBDRO CN(C(=O)c1ccccc1[N+](=O)[O-])C1CCC([NH3+])CC1 ZINC000091845138 741784508 /nfs/dbraw/zinc/78/45/08/741784508.db2.gz LSRPFQCGNZQJSL-UHFFFAOYSA-N 1 0 277.324 1.937 20 5 CDBDRO C[C@@]([NH3+])(C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000867943543 741836232 /nfs/dbraw/zinc/83/62/32/741836232.db2.gz YHKSCIOODWYLMF-AWEZNQCLSA-N 1 0 277.324 1.828 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CCNC1=O ZINC000886743094 741839031 /nfs/dbraw/zinc/83/90/31/741839031.db2.gz SWAMJRNRWWIDLK-NSHDSACASA-N 1 0 292.339 1.579 20 5 CDBDRO CC[C@]1(O)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778397727 741979203 /nfs/dbraw/zinc/97/92/03/741979203.db2.gz DDOGDADOQBFEHF-KGLIPLIRSA-N 1 0 280.324 1.475 20 5 CDBDRO CCC(=O)c1ccc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000795075130 742025630 /nfs/dbraw/zinc/02/56/30/742025630.db2.gz WTUJYEWCSJNZEZ-RYUDHWBXSA-N 1 0 289.335 1.843 20 5 CDBDRO CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000839524710 742263390 /nfs/dbraw/zinc/26/33/90/742263390.db2.gz IXXJMXRSZTZVKL-MGPQQGTHSA-N 1 0 297.399 1.524 20 5 CDBDRO CC[C@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[NH+](C)C ZINC000854497692 742339472 /nfs/dbraw/zinc/33/94/72/742339472.db2.gz VDTQYKDWRRVYQQ-SNVBAGLBSA-N 1 0 266.301 1.456 20 5 CDBDRO Nc1ccc(-c2noc(CC[NH2+]C3CC3)n2)cc1[N+](=O)[O-] ZINC000848617471 742339488 /nfs/dbraw/zinc/33/94/88/742339488.db2.gz IROILCLQUBJZPB-UHFFFAOYSA-N 1 0 289.295 1.522 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000876863276 742370851 /nfs/dbraw/zinc/37/08/51/742370851.db2.gz CKDNYBVEQXITTK-SNVBAGLBSA-N 1 0 265.313 1.679 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000868157697 742391714 /nfs/dbraw/zinc/39/17/14/742391714.db2.gz FIVFOJJVUXPNMH-YUMQZZPRSA-N 1 0 296.714 1.826 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C[C@H](C)[NH3+] ZINC000863565634 742495034 /nfs/dbraw/zinc/49/50/34/742495034.db2.gz PIRVCTKFTTVOQF-JTQLQIEISA-N 1 0 280.328 1.121 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H](CCCO)C2)cc1 ZINC000832781253 742541209 /nfs/dbraw/zinc/54/12/09/742541209.db2.gz AIMDAXALYIWMIM-SWLSCSKDSA-N 1 0 294.351 1.723 20 5 CDBDRO CC1(C)CC[NH2+]CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000872292201 742699054 /nfs/dbraw/zinc/69/90/54/742699054.db2.gz ODSVVHVLIYKZTF-UHFFFAOYSA-N 1 0 291.351 1.738 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H]2CC[NH2+]C2)c1C ZINC000884026517 742804209 /nfs/dbraw/zinc/80/42/09/742804209.db2.gz GDGNRUXRTLRFGF-GFCCVEGCSA-N 1 0 291.351 1.941 20 5 CDBDRO CCNC(=O)[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866217329 742837732 /nfs/dbraw/zinc/83/77/32/742837732.db2.gz XLKHAAJROBJRTD-NXEZZACHSA-N 1 0 297.330 1.779 20 5 CDBDRO CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000058234002 1167219704 /nfs/dbraw/zinc/21/97/04/1167219704.db2.gz PSWGSQNPZMYDLP-GFCCVEGCSA-N 1 0 293.323 1.184 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](C)CO)c1F ZINC001173174895 912279255 /nfs/dbraw/zinc/27/92/55/912279255.db2.gz FLKOCWXWGLVSAZ-IUCAKERBSA-N 1 0 286.303 1.644 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H](C)O)c1F ZINC001173175574 912279425 /nfs/dbraw/zinc/27/94/25/912279425.db2.gz PMKDLGNSBFQPSE-DTWKUNHWSA-N 1 0 286.303 1.644 20 5 CDBDRO CC(=O)N1CC([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173219307 912302055 /nfs/dbraw/zinc/30/20/55/912302055.db2.gz MYYLENJFPQZEKJ-SNVBAGLBSA-N 1 0 277.324 1.346 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1COCCO1 ZINC001173218662 912302316 /nfs/dbraw/zinc/30/23/16/912302316.db2.gz RKVCIEJLBNTSAO-RISCZKNCSA-N 1 0 280.324 1.531 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1COC[C@@H]1F ZINC001173228326 912320654 /nfs/dbraw/zinc/32/06/54/912320654.db2.gz JDBFBUQPHUELRQ-ICCXJUOJSA-N 1 0 268.288 1.852 20 5 CDBDRO COc1nc(C)c(N[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001167278233 895028010 /nfs/dbraw/zinc/02/80/10/895028010.db2.gz CYRAEPBEXUYCGR-VIFPVBQESA-N 1 0 266.301 1.423 20 5 CDBDRO CC[C@@H](C)Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001168000367 905235562 /nfs/dbraw/zinc/23/55/62/905235562.db2.gz UOPQKRYNHOVQMX-SSDOTTSWSA-N 1 0 251.290 1.282 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168226694 907943006 /nfs/dbraw/zinc/94/30/06/907943006.db2.gz FFFLSOVSJBZPBS-SCZZXKLOSA-N 1 0 269.280 1.143 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168227955 907945796 /nfs/dbraw/zinc/94/57/96/907945796.db2.gz IZOACNLUPVYKHC-BDAKNGLRSA-N 1 0 270.264 1.110 20 5 CDBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@H]2C[NH2+]CC[C@H]2F)s1 ZINC001168227711 907946207 /nfs/dbraw/zinc/94/62/07/907946207.db2.gz WRHHDPHQWWRQPG-SFYZADRCSA-N 1 0 297.315 1.711 20 5 CDBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000036804857 909762751 /nfs/dbraw/zinc/76/27/51/909762751.db2.gz NMYKDWLADXMZRC-UHFFFAOYSA-N 1 0 269.688 1.294 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)CC[NH+](C)C)c1 ZINC001094089649 910322642 /nfs/dbraw/zinc/32/26/42/910322642.db2.gz DWVCSJVGMTWVFI-UHFFFAOYSA-N 1 0 294.355 1.383 20 5 CDBDRO Cc1c[n+]([O-])c(N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001168593019 919360939 /nfs/dbraw/zinc/36/09/39/919360939.db2.gz FQPRODSZAOVURD-RYUDHWBXSA-N 1 0 294.355 1.821 20 5 CDBDRO CC(C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001034644647 922701285 /nfs/dbraw/zinc/70/12/85/922701285.db2.gz KBFDGSGVXUYXRI-DDHJBXDOSA-N 1 0 269.345 1.077 20 5 CDBDRO CSCC[C@H]([NH3+])C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118199425 923901705 /nfs/dbraw/zinc/90/17/05/923901705.db2.gz LIRZRQFPAMKVGV-LBPRGKRZSA-N 1 0 295.364 1.517 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(COCC[NH3+])n1 ZINC001118243086 924016645 /nfs/dbraw/zinc/01/66/45/924016645.db2.gz OCRVKGUPFYMSRQ-UHFFFAOYSA-N 1 0 292.295 1.737 20 5 CDBDRO CC[N@@H+]1CCCN(c2nc(C)cc(OC)c2[N+](=O)[O-])CC1 ZINC001163775250 924187742 /nfs/dbraw/zinc/18/77/42/924187742.db2.gz VXHUICLGIUELQC-UHFFFAOYSA-N 1 0 294.355 1.839 20 5 CDBDRO C[NH+](C)CC(C)(C)CNc1nccnc1[N+](=O)[O-] ZINC001168764469 924263591 /nfs/dbraw/zinc/26/35/91/924263591.db2.gz WNLDGGXIBDQMGW-UHFFFAOYSA-N 1 0 253.306 1.385 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(N2CC([NH+](C)C)C2)nc1Cl ZINC001163933596 924403647 /nfs/dbraw/zinc/40/36/47/924403647.db2.gz KJHQQLFKTSIFCU-UHFFFAOYSA-N 1 0 270.720 1.702 20 5 CDBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N(CCC[NH3+])C(C)C ZINC001164128782 924613575 /nfs/dbraw/zinc/61/35/75/924613575.db2.gz IRUXYLFYCAXNGY-UHFFFAOYSA-N 1 0 296.327 1.340 20 5 CDBDRO CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001195770134 924715194 /nfs/dbraw/zinc/71/51/94/924715194.db2.gz QAENZMAOJJAFPJ-ZIAGYGMSSA-N 1 0 297.399 1.766 20 5 CDBDRO C[NH+](C)C1(C)CN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC001165118392 924974832 /nfs/dbraw/zinc/97/48/32/924974832.db2.gz UIHXRZRFBBSSLC-UHFFFAOYSA-N 1 0 254.265 1.269 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@@H]3[NH2+]C[C@@H]32)n1 ZINC001165393465 925024733 /nfs/dbraw/zinc/02/47/33/925024733.db2.gz TUKALGJWJKAQRC-YUMQZZPRSA-N 1 0 283.719 1.287 20 5 CDBDRO Cc1cccc(F)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001231033403 925611371 /nfs/dbraw/zinc/61/13/71/925611371.db2.gz DFBDXLXYJNXEOX-LLVKDONJSA-N 1 0 270.324 1.497 20 5 CDBDRO [NH3+][C@H]1CCc2nn(-c3cnc(Cl)cc3[N+](=O)[O-])cc2C1 ZINC001168811143 927464552 /nfs/dbraw/zinc/46/45/52/927464552.db2.gz ICGSKTVXFWMFTN-QMMMGPOBSA-N 1 0 293.714 1.645 20 5 CDBDRO COc1cc(-n2cnc3ccc(C[NH3+])cc32)cnc1[N+](=O)[O-] ZINC001168847835 927507196 /nfs/dbraw/zinc/50/71/96/927507196.db2.gz KDXLFRZFJKGTTR-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO [NH3+][C@H]1CCN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)C1 ZINC001156232255 927528495 /nfs/dbraw/zinc/52/84/95/927528495.db2.gz UAGIOFSPNIKQIS-ZETCQYMHSA-N 1 0 293.714 1.729 20 5 CDBDRO Cc1ccnc(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168977289 927562879 /nfs/dbraw/zinc/56/28/79/927562879.db2.gz JESDTMWMJOZXKU-OLZOCXBDSA-N 1 0 263.341 1.968 20 5 CDBDRO CC(C)NC(=O)[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)C ZINC001168977402 927563626 /nfs/dbraw/zinc/56/36/26/927563626.db2.gz BFTBQJCQCMMAAM-AGIUHOORSA-N 1 0 285.388 1.571 20 5 CDBDRO [NH3+]Cc1ccc2c(n1)N([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CCC2 ZINC001168979255 927567993 /nfs/dbraw/zinc/56/79/93/927567993.db2.gz XVJONHHWGNNROZ-RISCZKNCSA-N 1 0 290.367 1.738 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cn3cccnc3n2)C1 ZINC001168957996 927578832 /nfs/dbraw/zinc/57/88/32/927578832.db2.gz KPWMYZDYYBUXIN-GHMZBOCLSA-N 1 0 275.312 1.264 20 5 CDBDRO CN(C(=O)CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC1 ZINC001168963191 927583909 /nfs/dbraw/zinc/58/39/09/927583909.db2.gz OOVPRIHUIKQCSH-QWRGUYRKSA-N 1 0 269.345 1.032 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cnc3ccccn23)C1 ZINC001168962841 927585267 /nfs/dbraw/zinc/58/52/67/927585267.db2.gz NDQMTPULRLXODT-NEPJUHHUSA-N 1 0 274.324 1.869 20 5 CDBDRO CN1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168966201 927589161 /nfs/dbraw/zinc/58/91/61/927589161.db2.gz HAKAMDHRCNBWQO-FRRDWIJNSA-N 1 0 255.362 1.506 20 5 CDBDRO COc1ccnc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168969783 927591051 /nfs/dbraw/zinc/59/10/51/927591051.db2.gz FIONMVKQYCECEH-MNOVXSKESA-N 1 0 265.313 1.625 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccncc2F)C1 ZINC001168970197 927594498 /nfs/dbraw/zinc/59/44/98/927594498.db2.gz GUZBVKRFJXVWPS-KOLCDFICSA-N 1 0 253.277 1.756 20 5 CDBDRO CC(C)Oc1cc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)ncn1 ZINC001168997538 927603724 /nfs/dbraw/zinc/60/37/24/927603724.db2.gz DBXHRZMEFBHRAI-NWDGAFQWSA-N 1 0 294.355 1.799 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](CO)c2cccnc2)C1 ZINC001169003109 927606575 /nfs/dbraw/zinc/60/65/75/927606575.db2.gz NJTMMQYWRJGALO-KGYLQXTDSA-N 1 0 265.313 1.150 20 5 CDBDRO CN1CCC([N@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169007973 927610882 /nfs/dbraw/zinc/61/08/82/927610882.db2.gz QBZSUBUZSNKNAP-WCQYABFASA-N 1 0 255.362 1.458 20 5 CDBDRO COC(=O)[C@@]1(C)CCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011972 927616619 /nfs/dbraw/zinc/61/66/19/927616619.db2.gz OCHAYBXDCCZFEC-GMXVVIOVSA-N 1 0 270.329 1.459 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCc3cc(CO)ccc3C2)C1 ZINC001169011266 927616885 /nfs/dbraw/zinc/61/68/85/927616885.db2.gz JAVRGBSVGWXWPO-WBMJQRKESA-N 1 0 290.363 1.982 20 5 CDBDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987521 927625322 /nfs/dbraw/zinc/62/53/22/927625322.db2.gz JLQZARRPDBKQAU-BMFZPTHFSA-N 1 0 292.379 1.933 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCc3cccnc3C2)C1 ZINC001169036128 927644199 /nfs/dbraw/zinc/64/41/99/927644199.db2.gz FMCPCMIGELUMDY-AAEUAGOBSA-N 1 0 261.325 1.885 20 5 CDBDRO CCN(CC)[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169036490 927644246 /nfs/dbraw/zinc/64/42/46/927644246.db2.gz GBSHLYWVUQCONX-BFHYXJOUSA-N 1 0 269.389 1.848 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(n3ccnc3)CC2)C1 ZINC001169037101 927647842 /nfs/dbraw/zinc/64/78/42/927647842.db2.gz IYSBJBZEUVRDCM-GXTWGEPZSA-N 1 0 278.356 1.965 20 5 CDBDRO O=C1NC2(CO1)CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169040077 927654523 /nfs/dbraw/zinc/65/45/23/927654523.db2.gz XOAHOFPUNKBDSO-WDEREUQCSA-N 1 0 283.328 1.006 20 5 CDBDRO O=C1CCCC2(CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)N1 ZINC001169024128 927662197 /nfs/dbraw/zinc/66/21/97/927662197.db2.gz PZPHBOBULDFOAO-STQMWFEESA-N 1 0 295.383 1.567 20 5 CDBDRO CC(C)C(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169051959 927668628 /nfs/dbraw/zinc/66/86/28/927668628.db2.gz DRFBSQOGDMWBCP-BFHYXJOUSA-N 1 0 297.399 1.668 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2ccc([C@H](C)[NH3+])n2)c1 ZINC001169233637 927849954 /nfs/dbraw/zinc/84/99/54/927849954.db2.gz AYUZJMMAOFGBNB-QMMMGPOBSA-N 1 0 290.279 1.587 20 5 CDBDRO [NH3+]Cc1cnnn1-c1ccc([N+](=O)[O-])c2ccccc21 ZINC001169312102 927919478 /nfs/dbraw/zinc/91/94/78/927919478.db2.gz MGAWMEMDOJBEFG-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(N[C@H]2C[NH2+]C[C@H]2CO)c1 ZINC001170781136 929967496 /nfs/dbraw/zinc/96/74/96/929967496.db2.gz PULULYWLHJPWTM-CPCISQLKSA-N 1 0 271.704 1.240 20 5 CDBDRO Cc1cc(Cl)c(N[C@@H]2C[NH2+]C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001170789468 930036171 /nfs/dbraw/zinc/03/61/71/930036171.db2.gz OMDNQDZTSGIZBO-PSASIEDQSA-N 1 0 285.731 1.549 20 5 CDBDRO Cc1nc(N[C@H](C)[C@@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC001159489617 930269836 /nfs/dbraw/zinc/26/98/36/930269836.db2.gz PVCYOIAUCGGMER-KOLCDFICSA-N 1 0 266.301 1.087 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001170856631 930450009 /nfs/dbraw/zinc/45/00/09/930450009.db2.gz FEXIRRPACFAJSJ-CYBMUJFWSA-N 1 0 294.286 1.751 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000885983806 930782712 /nfs/dbraw/zinc/78/27/12/930782712.db2.gz PVLUKBUFMBEUKZ-LBPRGKRZSA-N 1 0 293.323 1.575 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1cc(Cl)ncc1[N+](=O)[O-] ZINC001159743997 930794295 /nfs/dbraw/zinc/79/42/95/930794295.db2.gz PKLUWNWKSPBASV-VIFPVBQESA-N 1 0 260.681 1.112 20 5 CDBDRO CN(Cc1cccnc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC000886837654 930971907 /nfs/dbraw/zinc/97/19/07/930971907.db2.gz LCWULFMDBZRHAZ-NSHDSACASA-N 1 0 250.302 1.159 20 5 CDBDRO CS[C@H]1CC[C@H](N(C)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001323271126 931771247 /nfs/dbraw/zinc/77/12/47/931771247.db2.gz YUSAUOYWROZYSF-ONGXEEELSA-N 1 0 270.358 1.965 20 5 CDBDRO COC(=O)Cc1ccc(NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC001171193191 931851853 /nfs/dbraw/zinc/85/18/53/931851853.db2.gz QWWQBVZYWTVGGY-UHFFFAOYSA-N 1 0 281.312 1.460 20 5 CDBDRO CC(C)C[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001118144282 937595423 /nfs/dbraw/zinc/59/54/23/937595423.db2.gz TXHKMXGCSIMLBW-UHFFFAOYSA-N 1 0 291.351 1.725 20 5 CDBDRO O=C([C@H]1C[C@@]12CC[NH2+]C2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118198999 937601486 /nfs/dbraw/zinc/60/14/86/937601486.db2.gz CSWUTNYZFUHAEM-UKRRQHHQSA-N 1 0 287.319 1.437 20 5 CDBDRO [NH3+]Cc1cn(-c2ccc3cccc([N+](=O)[O-])c3n2)cn1 ZINC001154906153 937602458 /nfs/dbraw/zinc/60/24/58/937602458.db2.gz CKVNZOSZEYSWGA-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO [NH3+]Cc1ccnn1-c1nc2ccccc2cc1[N+](=O)[O-] ZINC001155124801 937638303 /nfs/dbraw/zinc/63/83/03/937638303.db2.gz NZMARTYDVPAZSB-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO CC(C)(C)[NH+]1CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001120806295 937837434 /nfs/dbraw/zinc/83/74/34/937837434.db2.gz XULXWVKNCYHITG-UHFFFAOYSA-N 1 0 279.344 1.493 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001122010281 937898704 /nfs/dbraw/zinc/89/87/04/937898704.db2.gz MHDKXIPFPAZGRA-FPMFFAJLSA-N 1 0 289.335 1.567 20 5 CDBDRO C[C@H](CC[NH+](C)C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001156416073 938364615 /nfs/dbraw/zinc/36/46/15/938364615.db2.gz WAFUTWXSQFWINX-GFCCVEGCSA-N 1 0 293.367 1.841 20 5 CDBDRO C[N@@H+]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C(C)(C)C1 ZINC001156591662 938390518 /nfs/dbraw/zinc/39/05/18/938390518.db2.gz XSJAWRABZZSRHS-LLVKDONJSA-N 1 0 292.339 1.247 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(-n2cccc2C[NH3+])n1 ZINC001156723886 938410833 /nfs/dbraw/zinc/41/08/33/938410833.db2.gz MKTOWPWACMALLZ-UHFFFAOYSA-N 1 0 267.676 1.596 20 5 CDBDRO Cc1ncc(C[NH3+])c(=N)n1-c1nccc(Cl)c1[N+](=O)[O-] ZINC001156825617 938422578 /nfs/dbraw/zinc/42/25/78/938422578.db2.gz TZRMQQNAFWQYHC-UHFFFAOYSA-N 1 0 294.702 1.075 20 5 CDBDRO CN(c1ncc([N+](=O)[O-])cc1N)[C@]1(C)CCC[NH2+]C1 ZINC001156976366 938441576 /nfs/dbraw/zinc/44/15/76/938441576.db2.gz FIGUYWZODMDMJZ-GFCCVEGCSA-N 1 0 265.317 1.150 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC001157266057 938471674 /nfs/dbraw/zinc/47/16/74/938471674.db2.gz NHWGVIKLTZQEDP-SKDRFNHKSA-N 1 0 280.303 1.659 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001157270878 938473929 /nfs/dbraw/zinc/47/39/29/938473929.db2.gz GMGTXMJVSDVRJC-YPMHNXCESA-N 1 0 292.339 1.067 20 5 CDBDRO CC1(Nc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CC[NH2+]CC1 ZINC001157401502 938487152 /nfs/dbraw/zinc/48/71/52/938487152.db2.gz KMCYUXDLNXSVSJ-UHFFFAOYSA-N 1 0 286.719 1.436 20 5 CDBDRO NC(=[NH2+])c1nccn1-c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001157621362 938521220 /nfs/dbraw/zinc/52/12/20/938521220.db2.gz ISHLQVZGXDCQGJ-UHFFFAOYSA-N 1 0 283.251 1.008 20 5 CDBDRO CCC[N@H+]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3N)C[C@H]2C1 ZINC001157692336 938533186 /nfs/dbraw/zinc/53/31/86/938533186.db2.gz QANAFFFVGMBAOC-PHIMTYICSA-N 1 0 291.355 1.350 20 5 CDBDRO [NH3+]C[C@]1(F)CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC001157807981 938548968 /nfs/dbraw/zinc/54/89/68/938548968.db2.gz BPEFUKRIIBWMAE-SNVBAGLBSA-N 1 0 274.683 1.520 20 5 CDBDRO COc1nc(N2C[C@@H](C)[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC001158174989 938590592 /nfs/dbraw/zinc/59/05/92/938590592.db2.gz ALFCLCAOXCTHSU-RKDXNWHRSA-N 1 0 266.301 1.185 20 5 CDBDRO CC[N@@H+]1CCN(c2ncc(OC)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001158562655 938637369 /nfs/dbraw/zinc/63/73/69/938637369.db2.gz GCAKJHCTDZVCDQ-UHFFFAOYSA-N 1 0 294.355 1.919 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@](C)(C[NH3+])C2)n1 ZINC001158679290 938649956 /nfs/dbraw/zinc/64/99/56/938649956.db2.gz SYTYCDZDDMLRLI-CYBMUJFWSA-N 1 0 295.343 1.267 20 5 CDBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001159677618 938744561 /nfs/dbraw/zinc/74/45/61/938744561.db2.gz LGDNPCVSSGTBHH-CMPLNLGQSA-N 1 0 288.307 1.135 20 5 CDBDRO COc1cc(-n2c(C[NH3+])cc3ccncc32)ncc1[N+](=O)[O-] ZINC001160959652 938850895 /nfs/dbraw/zinc/85/08/95/938850895.db2.gz RFYCTKUIJGPLMA-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO CCOc1nc(NC/C=C/C[NH3+])ccc1[N+](=O)[O-] ZINC001160982920 938853955 /nfs/dbraw/zinc/85/39/55/938853955.db2.gz MAKVBVBAQZVMRW-ONEGZZNKSA-N 1 0 252.274 1.315 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@H]1CC[N@@H+](C2CCC2)C1 ZINC001161176810 938878072 /nfs/dbraw/zinc/87/80/72/938878072.db2.gz FOJSZCPFMSZDJZ-NSHDSACASA-N 1 0 292.339 1.575 20 5 CDBDRO O=[N+]([O-])c1cnc(NC2CC3(CCC3)C2)nc1C1C[NH2+]C1 ZINC001161450560 938904038 /nfs/dbraw/zinc/90/40/38/938904038.db2.gz FBTYOPFPXXKUMY-UHFFFAOYSA-N 1 0 289.339 1.816 20 5 CDBDRO CN1CCc2c(NCC[NH+](C)C)ccc([N+](=O)[O-])c2C1 ZINC001161672881 938919477 /nfs/dbraw/zinc/91/94/77/938919477.db2.gz MHMNFJQXPSWXEV-UHFFFAOYSA-N 1 0 278.356 1.556 20 5 CDBDRO O=C1C[C@@H](CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)CCN1 ZINC001162336654 939027652 /nfs/dbraw/zinc/02/76/52/939027652.db2.gz GPDSFMFLTJNAKM-VIFPVBQESA-N 1 0 290.323 1.136 20 5 CDBDRO C[N@@H+]1CCC[C@@](C)(Nc2cccc([N+](=O)[O-])n2)C1 ZINC001162342946 939031869 /nfs/dbraw/zinc/03/18/69/939031869.db2.gz XUFDYXSUGLCLLO-GFCCVEGCSA-N 1 0 250.302 1.886 20 5 CDBDRO Cc1cc(NC[C@@H]2C[C@H](F)C[NH2+]2)ncc1[N+](=O)[O-] ZINC001162478342 939065787 /nfs/dbraw/zinc/06/57/87/939065787.db2.gz ZEZBGBGRYOICTA-IUCAKERBSA-N 1 0 254.265 1.410 20 5 CDBDRO O=[N+]([O-])c1nccnc1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001162573618 939091541 /nfs/dbraw/zinc/09/15/41/939091541.db2.gz SCOLVRDOOWQSME-LLVKDONJSA-N 1 0 269.280 1.279 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CC[NH2+][C@@H]1C ZINC001162678113 939112999 /nfs/dbraw/zinc/11/29/99/939112999.db2.gz WJDJKPNZCHLXTC-LDYMZIIASA-N 1 0 279.296 1.544 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C=C[C@H]2C[NH2+]C[C@@H]21 ZINC001162789507 939139095 /nfs/dbraw/zinc/13/90/95/939139095.db2.gz GXGGTRNQLATKDH-ZMLRMANQSA-N 1 0 260.297 1.484 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)nc2[nH]ccc21 ZINC001162796728 939143783 /nfs/dbraw/zinc/14/37/83/939143783.db2.gz GFEKORTWMZGUIW-DVVUODLYSA-N 1 0 285.307 1.657 20 5 CDBDRO O=[N+]([O-])c1cnc(NCc2ccc3c(c2)CC[NH2+]C3)cn1 ZINC001162810249 939148759 /nfs/dbraw/zinc/14/87/59/939148759.db2.gz OUMRHTFFQSOJIM-UHFFFAOYSA-N 1 0 285.307 1.643 20 5 CDBDRO COc1cnc(NC2CC3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001162981814 939168751 /nfs/dbraw/zinc/16/87/51/939168751.db2.gz RNJSPQOLOCJCQD-UHFFFAOYSA-N 1 0 292.339 1.943 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2ncnc(N[C@@]34CCC[C@@H]3[NH2+]CC4)c12 ZINC001162983813 939169176 /nfs/dbraw/zinc/16/91/76/939169176.db2.gz LVKZVVLMPNLACQ-TVQRCGJNSA-N 1 0 288.311 1.563 20 5 CDBDRO Cc1cnc(NCc2noc3c2C[NH2+]CC3)cc1[N+](=O)[O-] ZINC001163131950 939208544 /nfs/dbraw/zinc/20/85/44/939208544.db2.gz PSNRVEIQSLBMGA-UHFFFAOYSA-N 1 0 289.295 1.544 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)c1F ZINC001163252620 939232984 /nfs/dbraw/zinc/23/29/84/939232984.db2.gz IFSJXOBMIPCLCB-ZWNOBZJWSA-N 1 0 294.286 1.032 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc1 ZINC001163268074 939236205 /nfs/dbraw/zinc/23/62/05/939236205.db2.gz ACILBWKXCFFSAH-SMDDNHRTSA-N 1 0 292.339 1.560 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1N[C@H](C)C[NH+](C)C ZINC001163777247 939328691 /nfs/dbraw/zinc/32/86/91/939328691.db2.gz VCNKBWZXJPHAOO-MRVPVSSYSA-N 1 0 254.290 1.360 20 5 CDBDRO CCOc1cc([N+](=O)[O-])ccc1-n1nc(C[NH3+])cc1C ZINC001163985387 939372326 /nfs/dbraw/zinc/37/23/26/939372326.db2.gz OOEMSQHUWYZTPH-UHFFFAOYSA-N 1 0 276.296 1.946 20 5 CDBDRO COc1nc(N2C[C@H](C)CC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC001164071555 939404851 /nfs/dbraw/zinc/40/48/51/939404851.db2.gz UEZYMFOLFAJUKW-ZJUUUORDSA-N 1 0 280.328 1.562 20 5 CDBDRO CC(C)N(CCC[NH3+])c1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001164128654 939415609 /nfs/dbraw/zinc/41/56/09/939415609.db2.gz AVQRZYJBUIZDDI-UHFFFAOYSA-N 1 0 292.339 1.402 20 5 CDBDRO COc1ncnc(N2CCC[C@@](C)(C[NH3+])CC2)c1[N+](=O)[O-] ZINC001164246783 939441148 /nfs/dbraw/zinc/44/11/48/939441148.db2.gz COVIWHMBVLWICS-CYBMUJFWSA-N 1 0 295.343 1.349 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2C[NH+](C)C[C@@H]2C1 ZINC001165143440 939517096 /nfs/dbraw/zinc/51/70/96/939517096.db2.gz CLEVCZFGNMWFIO-GHMZBOCLSA-N 1 0 262.313 1.296 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)nc1Cl ZINC001165146121 939517566 /nfs/dbraw/zinc/51/75/66/939517566.db2.gz BNAHNVJVHUQEIQ-AOOOYVTPSA-N 1 0 296.758 1.949 20 5 CDBDRO C[NH+]1C[C@@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C[C@H]2C1 ZINC001165149979 939519304 /nfs/dbraw/zinc/51/93/04/939519304.db2.gz LVBGUCWXWYMBBE-NXEZZACHSA-N 1 0 287.323 1.469 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001165242638 939531867 /nfs/dbraw/zinc/53/18/67/939531867.db2.gz ITHUMKRAYGJIQE-ZDUSSCGKSA-N 1 0 277.328 1.152 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]4[NH2+]C[C@H]43)cnc2c1 ZINC001165388999 939556757 /nfs/dbraw/zinc/55/67/57/939556757.db2.gz DKVJHMLYGOMQIG-WCQYABFASA-N 1 0 285.307 1.479 20 5 CDBDRO [NH3+]C1([C@H]2CN(c3cccc([N+](=O)[O-])n3)C[C@H]2CF)CC1 ZINC001165428787 939563639 /nfs/dbraw/zinc/56/36/39/939563639.db2.gz GIDORSRUDZIMMG-ZJUUUORDSA-N 1 0 280.303 1.503 20 5 CDBDRO Cc1nc(N(C)C[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001166955417 939658849 /nfs/dbraw/zinc/65/88/49/939658849.db2.gz WGCMEXGZYFJNSC-SNVBAGLBSA-N 1 0 250.302 1.344 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@](C)([NH3+])C1 ZINC000405845782 940998322 /nfs/dbraw/zinc/99/83/22/940998322.db2.gz VFAXVJAHEAFJFR-ZDUSSCGKSA-N 1 0 263.297 1.467 20 5 CDBDRO O=[N+]([O-])c1cc(CO[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC001217823127 941021063 /nfs/dbraw/zinc/02/10/63/941021063.db2.gz WTPQTDJYSYZCNU-NSHDSACASA-N 1 0 267.241 1.382 20 5 CDBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC001218183810 941043273 /nfs/dbraw/zinc/04/32/73/941043273.db2.gz UFSGSSOLOKQNOZ-QMMMGPOBSA-N 1 0 253.214 1.244 20 5 CDBDRO C[N+](C)(C)CCCO[C@@H](C[N+](=O)[O-])c1cccnc1 ZINC001224624783 941777516 /nfs/dbraw/zinc/77/75/16/941777516.db2.gz YZAQMKXCTHHWHE-ZDUSSCGKSA-N 1 0 268.337 1.512 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ncc(Br)cn1 ZINC001225558991 941879427 /nfs/dbraw/zinc/87/94/27/941879427.db2.gz BFDVSHNGSVHRKI-QMMMGPOBSA-N 1 0 275.170 1.713 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2cnoc2c1 ZINC001226448274 942006514 /nfs/dbraw/zinc/00/65/14/942006514.db2.gz APQHPXZXCLOQNQ-LLVKDONJSA-N 1 0 279.316 1.190 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1c(O)ccc2ccc(=O)oc21 ZINC001226599166 942033416 /nfs/dbraw/zinc/03/34/16/942033416.db2.gz JYSRQRNCOXQMEO-SNVBAGLBSA-O 1 0 278.328 1.972 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)Oc1ncc([N+](=O)[O-])cn1 ZINC001226730901 942059084 /nfs/dbraw/zinc/05/90/84/942059084.db2.gz IRSPHPCUTKQHBF-SECBINFHSA-N 1 0 254.290 1.494 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](Oc2ncc([N+](=O)[O-])cn2)C1 ZINC001226734561 942060449 /nfs/dbraw/zinc/06/04/49/942060449.db2.gz YPOBJSZWVGOECB-JTQLQIEISA-N 1 0 252.274 1.246 20 5 CDBDRO COc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(C)c1 ZINC001227131310 942137949 /nfs/dbraw/zinc/13/79/49/942137949.db2.gz KZWURBORWJCGEE-GFCCVEGCSA-N 1 0 282.360 1.366 20 5 CDBDRO COc1cccc([N+](=O)[O-])c1O[C@H]1CC[N@H+](C)C1 ZINC001227697273 942206468 /nfs/dbraw/zinc/20/64/68/942206468.db2.gz OMHAAOPYDPIUAZ-VIFPVBQESA-N 1 0 252.270 1.686 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc(Cl)ccc1F ZINC001227880269 942240313 /nfs/dbraw/zinc/24/03/13/942240313.db2.gz WBJLEVQQRKYVRG-MRVPVSSYSA-N 1 0 291.730 1.237 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOc2cncc([N+](=O)[O-])c2)C1 ZINC001227990687 942253435 /nfs/dbraw/zinc/25/34/35/942253435.db2.gz OWHKWIXOHBOVPX-LLVKDONJSA-N 1 0 267.285 1.089 20 5 CDBDRO COC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)c(OC)c1 ZINC001228212951 942282019 /nfs/dbraw/zinc/28/20/19/942282019.db2.gz KGVFTBJTGWXZLS-NSHDSACASA-N 1 0 282.360 1.955 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1n[nH]c(=O)c2ccccc21 ZINC001228272883 942287721 /nfs/dbraw/zinc/28/77/21/942287721.db2.gz FQKIDHWUVRXLCO-SNVBAGLBSA-O 1 0 262.333 1.809 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229454812 942476515 /nfs/dbraw/zinc/47/65/15/942476515.db2.gz QLKJWLASNWEKHU-SNVBAGLBSA-N 1 0 269.301 1.337 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(C(F)(F)F)cnn1 ZINC001229745264 942525359 /nfs/dbraw/zinc/52/53/59/942525359.db2.gz GMQMLBZWZAIUMC-QMMMGPOBSA-N 1 0 264.271 1.969 20 5 CDBDRO CN1CCO[C@@H](COc2cc(F)c([N+](=O)[O-])c(F)c2)C1 ZINC001233755468 943650095 /nfs/dbraw/zinc/65/00/95/943650095.db2.gz ZLBNDEBWHYPKFB-SECBINFHSA-N 1 0 288.250 1.582 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001263103796 943746152 /nfs/dbraw/zinc/74/61/52/943746152.db2.gz MEDOJIFZKVCLAQ-WQAKAFBOSA-N 1 0 277.324 1.409 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CN(C)C1 ZINC001254543545 947517991 /nfs/dbraw/zinc/51/79/91/947517991.db2.gz SSRDVIQAFTXQRQ-NSHDSACASA-N 1 0 263.341 1.677 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001254552259 947522196 /nfs/dbraw/zinc/52/21/96/947522196.db2.gz JNDDNKONRFOAED-ZLDLUXBVSA-N 1 0 294.351 1.201 20 5 CDBDRO C[C@]1(O)COCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254592074 947542763 /nfs/dbraw/zinc/54/27/63/947542763.db2.gz AERVCTRNOBYLDK-HUUCEWRRSA-N 1 0 292.335 1.145 20 5 CDBDRO CC[N@H+](CCC(N)=O)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599971 947550803 /nfs/dbraw/zinc/55/08/03/947550803.db2.gz NKNIQPJFJXGQNV-ZDUSSCGKSA-N 1 0 277.324 1.259 20 5 CDBDRO C[C@H]1C(=O)N(C)CCN1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603282 947554430 /nfs/dbraw/zinc/55/44/30/947554430.db2.gz LOXZXYJUPOJIJN-HZMBPMFUSA-N 1 0 289.335 1.225 20 5 CDBDRO C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)[NH2+]C1 ZINC001246106481 947957871 /nfs/dbraw/zinc/95/78/71/947957871.db2.gz QCYJPAKSNRCRQV-FVCCEPFGSA-N 1 0 255.362 1.410 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N[C@@H]1CC13C[NH2+]C3)C2 ZINC001246448642 948179150 /nfs/dbraw/zinc/17/91/50/948179150.db2.gz ZOFQGTDKFJNFHZ-WCQYABFASA-N 1 0 259.309 1.014 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2[NH2+]C[C@H]3C[C@H]32)n1 ZINC001248303773 948998577 /nfs/dbraw/zinc/99/85/77/948998577.db2.gz NNKBZSUHEXDBHI-SLBFFKMLSA-N 1 0 291.242 1.459 20 5 CDBDRO C[C@@]1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCC[NH2+]C1 ZINC001326339500 954331937 /nfs/dbraw/zinc/33/19/37/954331937.db2.gz VYBUCXWEFZQOQZ-OAHLLOKOSA-N 1 0 289.335 1.827 20 5 CDBDRO CC(C)C[NH+]1CCN(c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001306911090 956350223 /nfs/dbraw/zinc/35/02/23/956350223.db2.gz ATGAAGPXUVAJNJ-UHFFFAOYSA-N 1 0 267.333 1.106 20 5 CDBDRO C[C@H](NC(=O)[C@@H]([NH3+])CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001340994449 963226250 /nfs/dbraw/zinc/22/62/50/963226250.db2.gz HQHNJSBIMFKTCE-XVKPBYJWSA-N 1 0 287.266 1.755 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC001341842581 963557911 /nfs/dbraw/zinc/55/79/11/963557911.db2.gz UCSJYBBIZMZODO-SECBINFHSA-N 1 0 278.312 1.200 20 5 CDBDRO Cc1nc(N2CCC[C@@H]([NH2+]C(C)C)C2)ncc1[N+](=O)[O-] ZINC001344113940 964237648 /nfs/dbraw/zinc/23/76/48/964237648.db2.gz SIPSPLRGNYSJBI-LLVKDONJSA-N 1 0 279.344 1.660 20 5 CDBDRO C[C@H](NC(=O)C(C)(C)C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001344789289 964428049 /nfs/dbraw/zinc/42/80/49/964428049.db2.gz FJHKXUVYBHLEOZ-VIFPVBQESA-N 1 0 265.313 1.757 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH+]2CCC1CC2 ZINC001353789723 968234803 /nfs/dbraw/zinc/23/48/03/968234803.db2.gz QWLUKDPXQZIJTI-CQSZACIVSA-N 1 0 289.335 1.348 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]CC23CC3)ccc1[N+](=O)[O-] ZINC001356482909 969409886 /nfs/dbraw/zinc/40/98/86/969409886.db2.gz HWXAXAPZKGYVGY-GFCCVEGCSA-N 1 0 275.308 1.385 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001522744309 970545956 /nfs/dbraw/zinc/54/59/56/970545956.db2.gz MVLATJHTKAPNMH-SKDRFNHKSA-N 1 0 265.313 1.770 20 5 CDBDRO CC(C)C[C@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001573504099 1170677012 /nfs/dbraw/zinc/67/70/12/1170677012.db2.gz MUDCUGHBKAWOJS-LBPRGKRZSA-N 1 0 277.324 1.857 20 5 CDBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C[NH2+]C ZINC001577096348 1171601122 /nfs/dbraw/zinc/60/11/22/1171601122.db2.gz LGYKKRQGBIGKGE-AAEUAGOBSA-N 1 0 293.367 1.888 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601163618 342484832 /nfs/dbraw/zinc/48/48/32/342484832.db2.gz MVZHRADKDPXNFQ-SECBINFHSA-N 1 0 281.287 1.558 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3ncc(F)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000601154764 342483661 /nfs/dbraw/zinc/48/36/61/342483661.db2.gz WJQJDQMAGUDASM-DTORHVGOSA-N 1 0 266.276 1.127 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000590402317 342543810 /nfs/dbraw/zinc/54/38/10/342543810.db2.gz CQJQVRRBKCMQOQ-SKDRFNHKSA-N 1 0 293.323 1.465 20 5 CDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601266178 342547070 /nfs/dbraw/zinc/54/70/70/342547070.db2.gz KKYAOYPSOGSCJV-JTQLQIEISA-N 1 0 295.314 1.806 20 5 CDBDRO [NH3+]CC[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000070171344 361735932 /nfs/dbraw/zinc/73/59/32/361735932.db2.gz FOUNRHSKIZHMIE-SNVBAGLBSA-N 1 0 250.302 1.555 20 5 CDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000590566606 342576030 /nfs/dbraw/zinc/57/60/30/342576030.db2.gz MLTZXQYXFPNXRE-GXSJLCMTSA-N 1 0 292.339 1.342 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1[NH3+] ZINC000235355026 342049313 /nfs/dbraw/zinc/04/93/13/342049313.db2.gz QPMXHZUEVAIMGG-RNFRBKRXSA-N 1 0 255.299 1.076 20 5 CDBDRO CC(C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)CC1CC1 ZINC000533495188 282125324 /nfs/dbraw/zinc/12/53/24/282125324.db2.gz ANJWYSQMJDVYAT-UHFFFAOYSA-N 1 0 252.318 1.949 20 5 CDBDRO O=[N+]([O-])c1ccc2ccnc(N3C[C@H]4C[NH2+]C[C@@H]4C3)c2c1 ZINC000591139924 342618279 /nfs/dbraw/zinc/61/82/79/342618279.db2.gz LMWYHQNBRKJANQ-VXGBXAGGSA-N 1 0 284.319 1.799 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000591147548 342618707 /nfs/dbraw/zinc/61/87/07/342618707.db2.gz BMRMGHOIBZDVAS-VIFPVBQESA-N 1 0 268.292 1.517 20 5 CDBDRO COc1cc(CC[NH2+]C[C@@H](C)O)c([N+](=O)[O-])cc1OC ZINC000591241233 342622384 /nfs/dbraw/zinc/62/23/84/342622384.db2.gz QFUQRGUCNXXZPS-SECBINFHSA-N 1 0 284.312 1.125 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@]3(CC[NH2+]C3)C2)c(F)c1 ZINC000591434303 342631392 /nfs/dbraw/zinc/63/13/92/342631392.db2.gz HQGFBWHCFOKMRW-LBPRGKRZSA-N 1 0 266.276 1.319 20 5 CDBDRO CCC(CC)(C[NH3+])NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000236749632 365686024 /nfs/dbraw/zinc/68/60/24/365686024.db2.gz KCTCHXHPZKMMTJ-UHFFFAOYSA-N 1 0 295.339 1.607 20 5 CDBDRO CC1(C)C[NH2+][C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000591668580 342641184 /nfs/dbraw/zinc/64/11/84/342641184.db2.gz HJBACQUIOBYALJ-LBPRGKRZSA-N 1 0 277.324 1.252 20 5 CDBDRO O=C(NCCC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000199765747 342153872 /nfs/dbraw/zinc/15/38/72/342153872.db2.gz NZSSAMHQGHKDAX-UHFFFAOYSA-N 1 0 277.324 1.714 20 5 CDBDRO [NH3+]C[C@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592425067 342690371 /nfs/dbraw/zinc/69/03/71/342690371.db2.gz RWYHHUQIBJGEHI-SNVBAGLBSA-N 1 0 293.323 1.147 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1CN1CCC[NH2+]CC1)OCCO2 ZINC000592426242 342690374 /nfs/dbraw/zinc/69/03/74/342690374.db2.gz OEMRPPHWRQIONP-UHFFFAOYSA-N 1 0 293.323 1.161 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[NH3+] ZINC000592547168 342708877 /nfs/dbraw/zinc/70/88/77/342708877.db2.gz RDQZGZVTMHJYGM-MRVPVSSYSA-N 1 0 267.285 1.071 20 5 CDBDRO C[C@@H](CCO)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000593109508 342769333 /nfs/dbraw/zinc/76/93/33/342769333.db2.gz ZHMMGTGDUYYDRD-NWDGAFQWSA-N 1 0 298.339 1.037 20 5 CDBDRO C[NH+](C)C1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593563783 342812932 /nfs/dbraw/zinc/81/29/32/342812932.db2.gz DRPIAXXGIXVGSI-UHFFFAOYSA-N 1 0 281.287 1.049 20 5 CDBDRO C[C@H](CCO)[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000593694412 342824168 /nfs/dbraw/zinc/82/41/68/342824168.db2.gz MCGQEJDRGRXFQL-SNVBAGLBSA-N 1 0 296.323 1.569 20 5 CDBDRO Cc1cccc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000382466378 361937736 /nfs/dbraw/zinc/93/77/36/361937736.db2.gz MJQADHCQEAMVGH-QWRGUYRKSA-N 1 0 277.324 1.760 20 5 CDBDRO Cc1cc(N2CC[NH+](CC3CC3)CC2)ncc1[N+](=O)[O-] ZINC000080599053 342211659 /nfs/dbraw/zinc/21/16/59/342211659.db2.gz QTRYDQGHXMBVES-UHFFFAOYSA-N 1 0 276.340 1.830 20 5 CDBDRO C[C@H]1C[NH2+]CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000125502985 187188213 /nfs/dbraw/zinc/18/82/13/187188213.db2.gz INXMRFUPJZONDC-NSHDSACASA-N 1 0 292.339 1.217 20 5 CDBDRO C[C@H](O)C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000159516971 361995065 /nfs/dbraw/zinc/99/50/65/361995065.db2.gz MIJYUAUDTXEEGV-JTQLQIEISA-N 1 0 281.312 1.236 20 5 CDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000593910572 342855780 /nfs/dbraw/zinc/85/57/80/342855780.db2.gz XVMVWAFXWHYPLB-ZDUSSCGKSA-N 1 0 291.351 1.643 20 5 CDBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000594003660 342862603 /nfs/dbraw/zinc/86/26/03/342862603.db2.gz KAJVRJWWFOLKGT-RYUDHWBXSA-N 1 0 291.307 1.985 20 5 CDBDRO C[C@@H](O)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594053750 342872847 /nfs/dbraw/zinc/87/28/47/342872847.db2.gz AHFYSZKYAQIOJD-LLVKDONJSA-N 1 0 280.324 1.819 20 5 CDBDRO CC(C)[C@@H]1C[NH2+]CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000600714686 342242655 /nfs/dbraw/zinc/24/26/55/342242655.db2.gz OUKNLCKHNYJWRE-HNNXBMFYSA-N 1 0 293.367 1.903 20 5 CDBDRO CCN(CC[NH3+])CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000600718359 342244523 /nfs/dbraw/zinc/24/45/23/342244523.db2.gz WWAOCIDUPDABND-UHFFFAOYSA-N 1 0 294.355 1.512 20 5 CDBDRO C[NH2+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCC1 ZINC000600826071 342251830 /nfs/dbraw/zinc/25/18/30/342251830.db2.gz LWJDHSVQOQOPCY-UHFFFAOYSA-N 1 0 279.296 1.172 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000609384252 342267960 /nfs/dbraw/zinc/26/79/60/342267960.db2.gz AUGPKYGADVZGFR-JTQLQIEISA-N 1 0 265.317 1.225 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000594715032 342946830 /nfs/dbraw/zinc/94/68/30/342946830.db2.gz XHLUWGTWVDZQQM-LLVKDONJSA-N 1 0 282.344 1.370 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[NH2+]C1 ZINC000126131913 187219109 /nfs/dbraw/zinc/21/91/09/187219109.db2.gz AOJDOCVOKRROEM-NSHDSACASA-N 1 0 263.297 1.006 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000595275647 343021943 /nfs/dbraw/zinc/02/19/43/343021943.db2.gz QBJHYEJKRGATOD-NSHDSACASA-N 1 0 294.355 1.387 20 5 CDBDRO C[NH+](C)CCN1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000075669285 342314265 /nfs/dbraw/zinc/31/42/65/342314265.db2.gz NABUTJWLMOCWDT-UHFFFAOYSA-N 1 0 293.371 1.428 20 5 CDBDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595318151 343034351 /nfs/dbraw/zinc/03/43/51/343034351.db2.gz SAYAKXKPPGQQFE-NSHDSACASA-N 1 0 295.314 1.692 20 5 CDBDRO CC[N@@H+]1CCCN(CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000595536887 343092145 /nfs/dbraw/zinc/09/21/45/343092145.db2.gz WMBYDKLHKNVERS-GFCCVEGCSA-N 1 0 281.360 1.207 20 5 CDBDRO CC[N@@H+]1CCN(Cc2onc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000595490677 343076144 /nfs/dbraw/zinc/07/61/44/343076144.db2.gz GNTMZXMRJBNBDH-VIFPVBQESA-N 1 0 268.317 1.417 20 5 CDBDRO O=C1[C@@H](NCc2csc([N+](=O)[O-])c2)C[C@H]2CCCCN12 ZINC000453622175 252329058 /nfs/dbraw/zinc/32/90/58/252329058.db2.gz JHENWNDJSMVVIQ-MNOVXSKESA-N 1 0 295.364 1.899 20 5 CDBDRO CN1CCN(CCOc2ccccc2[N+](=O)[O-])CCC1=O ZINC000595782808 343154559 /nfs/dbraw/zinc/15/45/59/343154559.db2.gz MMFBCUTVKUIEIF-UHFFFAOYSA-N 1 0 293.323 1.138 20 5 CDBDRO COC1CC[NH+](CCNc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000080249877 342351203 /nfs/dbraw/zinc/35/12/03/342351203.db2.gz TXNGFLOZTKYGFG-UHFFFAOYSA-N 1 0 297.359 1.159 20 5 CDBDRO C[C@@H](Cn1cccn1)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000264351614 365737469 /nfs/dbraw/zinc/73/74/69/365737469.db2.gz HFPKFXFCQHXOCJ-LBPRGKRZSA-N 1 0 290.323 1.848 20 5 CDBDRO [NH3+]C1(CNC(=O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000595941406 343203677 /nfs/dbraw/zinc/20/36/77/343203677.db2.gz OQQBMCBDRVLSFP-UHFFFAOYSA-N 1 0 293.323 1.361 20 5 CDBDRO Cc1cc(C(=O)NCC2([NH3+])CCCC2)cc([N+](=O)[O-])c1 ZINC000595941942 343203929 /nfs/dbraw/zinc/20/39/29/343203929.db2.gz UYKLPPFGDMQNSZ-UHFFFAOYSA-N 1 0 277.324 1.905 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(C)(C)[NH3+] ZINC000595947600 343205611 /nfs/dbraw/zinc/20/56/11/343205611.db2.gz SGSJMANQIQCUJS-UHFFFAOYSA-N 1 0 281.312 1.413 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000382511587 362129824 /nfs/dbraw/zinc/12/98/24/362129824.db2.gz PBNKCRHWMFNVOA-MWLCHTKSSA-N 1 0 263.297 1.452 20 5 CDBDRO C[C@@H]1C[C@@H](C)N(c2ccc(N)c([N+](=O)[O-])n2)C[C@@H]1C[NH3+] ZINC000596014434 343218782 /nfs/dbraw/zinc/21/87/82/343218782.db2.gz PZEDZFJFRUJHKD-BBBLOLIVSA-N 1 0 279.344 1.382 20 5 CDBDRO C[C@H]1CCC[N@H+](CCNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596075734 343226175 /nfs/dbraw/zinc/22/61/75/343226175.db2.gz KAZVCEWZJUEGAP-JTQLQIEISA-N 1 0 280.328 1.839 20 5 CDBDRO O=c1[nH]ccc(N2CC[C@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596119964 343232803 /nfs/dbraw/zinc/23/28/03/343232803.db2.gz FLBAVFDSMSAUCC-NSHDSACASA-N 1 0 292.339 1.760 20 5 CDBDRO CCC[NH+]1CCC(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596061753 343223483 /nfs/dbraw/zinc/22/34/83/343223483.db2.gz JOWGYMYRTHSAGN-UHFFFAOYSA-N 1 0 280.328 1.982 20 5 CDBDRO O=C(N[C@@H]1CC[NH2+]C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000126673495 187255451 /nfs/dbraw/zinc/25/54/51/187255451.db2.gz ZKEYXEKUQAWQAD-SSDOTTSWSA-N 1 0 269.688 1.340 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000142258668 342434750 /nfs/dbraw/zinc/43/47/50/342434750.db2.gz HSUKZIRXQOOQIG-CQSZACIVSA-N 1 0 289.335 1.905 20 5 CDBDRO CCC[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000598343064 343771814 /nfs/dbraw/zinc/77/18/14/343771814.db2.gz QFNOYELEZYBZCE-ZDUSSCGKSA-N 1 0 291.351 1.738 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599006486 343938257 /nfs/dbraw/zinc/93/82/57/343938257.db2.gz IRDSGGUXWUTGDU-TXEJJXNPSA-N 1 0 250.298 1.764 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000128901327 362253213 /nfs/dbraw/zinc/25/32/13/362253213.db2.gz BVSDDXAIBNXYRN-SNVBAGLBSA-N 1 0 283.715 1.730 20 5 CDBDRO C[NH+](C)CC1(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000602027740 344318695 /nfs/dbraw/zinc/31/86/95/344318695.db2.gz UMLAGMUJNPYJJC-UHFFFAOYSA-N 1 0 263.297 1.875 20 5 CDBDRO COc1cc(C(=O)N2C[C@H]([NH3+])C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000602596644 344502757 /nfs/dbraw/zinc/50/27/57/344502757.db2.gz QRZIIJYTNMHDTO-GZMMTYOYSA-N 1 0 293.323 1.474 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000602597108 344503337 /nfs/dbraw/zinc/50/33/37/344503337.db2.gz UTVWLRLOCLZOGX-WCBMZHEXSA-N 1 0 297.742 1.739 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H]([NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000602598585 344503890 /nfs/dbraw/zinc/50/38/90/344503890.db2.gz LBAWXURYBVECNM-MWLCHTKSSA-N 1 0 263.297 1.465 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000602599903 344504376 /nfs/dbraw/zinc/50/43/76/344504376.db2.gz TUTCNUSNWBSOLB-JGVFFNPUSA-N 1 0 283.715 1.810 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000602492570 344450668 /nfs/dbraw/zinc/45/06/68/344450668.db2.gz MXBOIVFGAZMYNR-DTWKUNHWSA-N 1 0 281.287 1.604 20 5 CDBDRO [NH3+]C1(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CCCC1 ZINC000602531241 344456147 /nfs/dbraw/zinc/45/61/47/344456147.db2.gz UOLAICZTPUANID-UHFFFAOYSA-N 1 0 281.287 1.735 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000602589233 344479066 /nfs/dbraw/zinc/47/90/66/344479066.db2.gz GDWMISJZIVNCFN-PHIMTYICSA-N 1 0 275.308 1.480 20 5 CDBDRO CO[C@@]1(C)C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602722562 344564261 /nfs/dbraw/zinc/56/42/61/344564261.db2.gz NYVBKBAOFHQWSK-OLZOCXBDSA-N 1 0 250.298 1.904 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1C1CC1 ZINC000602773755 344577396 /nfs/dbraw/zinc/57/73/96/344577396.db2.gz YIBMCJCZDICQJO-GFCCVEGCSA-N 1 0 264.329 1.974 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@]1(C)CCO[C@@H]1C ZINC000602822327 344610228 /nfs/dbraw/zinc/61/02/28/344610228.db2.gz RHIWDDGGTKAIFV-BXKDBHETSA-N 1 0 268.317 1.257 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000602833392 344614770 /nfs/dbraw/zinc/61/47/70/344614770.db2.gz YRDGAZRLSBEZAM-CYBMUJFWSA-N 1 0 295.387 1.372 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CSC[C@@H]1C ZINC000602834423 344618040 /nfs/dbraw/zinc/61/80/40/344618040.db2.gz ZDLNSKCPOOETOP-WCBMZHEXSA-N 1 0 270.358 1.441 20 5 CDBDRO CCO[C@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602842164 344622297 /nfs/dbraw/zinc/62/22/97/344622297.db2.gz QQQBVYIJACCKCD-AAEUAGOBSA-N 1 0 296.371 1.847 20 5 CDBDRO C[NH2+]C(C)(C)c1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000603203150 344734824 /nfs/dbraw/zinc/73/48/24/344734824.db2.gz MJMZEHQOWMXZFO-UHFFFAOYSA-N 1 0 293.302 1.828 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000603429631 344802297 /nfs/dbraw/zinc/80/22/97/344802297.db2.gz NNJDEEGZHBWMPB-STQMWFEESA-N 1 0 279.340 1.819 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000603429630 344802447 /nfs/dbraw/zinc/80/24/47/344802447.db2.gz NNJDEEGZHBWMPB-QWHCGFSZSA-N 1 0 279.340 1.819 20 5 CDBDRO C[C@H](O)C1CN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000603411657 344805812 /nfs/dbraw/zinc/80/58/12/344805812.db2.gz YCPLSEOSPFIRLT-VIFPVBQESA-N 1 0 273.292 1.960 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000302497664 344867203 /nfs/dbraw/zinc/86/72/03/344867203.db2.gz SYSBRLMQYLRTMI-UHFFFAOYSA-N 1 0 255.249 1.155 20 5 CDBDRO C[C@@H]1C[N@@H+](CCCNc2ncc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000273241089 192084415 /nfs/dbraw/zinc/08/44/15/192084415.db2.gz YTAXEKUOJPCANP-PHIMTYICSA-N 1 0 295.343 1.296 20 5 CDBDRO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000344265805 362552482 /nfs/dbraw/zinc/55/24/82/362552482.db2.gz YDTWFNNPFLPCEY-QMMMGPOBSA-N 1 0 269.276 1.414 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344278765 362553596 /nfs/dbraw/zinc/55/35/96/362553596.db2.gz XYYZKTIXOSJAIT-GFCCVEGCSA-N 1 0 295.314 1.900 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000293163702 362532962 /nfs/dbraw/zinc/53/29/62/362532962.db2.gz OURBWEIDXGYDJX-ZDUSSCGKSA-N 1 0 280.324 1.950 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000159785162 345269678 /nfs/dbraw/zinc/26/96/78/345269678.db2.gz SFNYDBKFHLXJLC-BXKDBHETSA-N 1 0 295.314 1.933 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC([NH2+]CC2CC2)CC1 ZINC000127516269 187312147 /nfs/dbraw/zinc/31/21/47/187312147.db2.gz RMKDKXFYCUZVGX-UHFFFAOYSA-N 1 0 292.339 1.527 20 5 CDBDRO CC1(C)C[NH2+]CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000088138930 346014285 /nfs/dbraw/zinc/01/42/85/346014285.db2.gz UJXIIHZOTYIHNV-UHFFFAOYSA-N 1 0 263.297 1.419 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000610447625 346283897 /nfs/dbraw/zinc/28/38/97/346283897.db2.gz CNLWMIJLMVFXOO-GFCCVEGCSA-N 1 0 290.327 1.325 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]([C@@H]3CCCOC3)C2)nc1 ZINC000610569961 346314737 /nfs/dbraw/zinc/31/47/37/346314737.db2.gz IEHFYRVOMDQWPT-DGCLKSJQSA-N 1 0 292.339 1.655 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[NH2+]C1 ZINC000571625331 362712446 /nfs/dbraw/zinc/71/24/46/362712446.db2.gz NADQEMJZRQABRX-GFCCVEGCSA-N 1 0 292.339 1.394 20 5 CDBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c2ncccc12 ZINC000090322847 347653544 /nfs/dbraw/zinc/65/35/44/347653544.db2.gz OUARAKDTRUUQNG-QWRGUYRKSA-N 1 0 284.319 1.799 20 5 CDBDRO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000086467501 179297725 /nfs/dbraw/zinc/29/77/25/179297725.db2.gz UUIIFTBIZTXWNL-QWRGUYRKSA-N 1 0 277.324 1.346 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000087383767 179418233 /nfs/dbraw/zinc/41/82/33/179418233.db2.gz LYQFSGUQMPFBIS-ABZNLYFFSA-N 1 0 275.308 1.462 20 5 CDBDRO O=[N+]([O-])c1ccccc1NCCC[NH+]1CCC(O)CC1 ZINC000060378728 348475809 /nfs/dbraw/zinc/47/58/09/348475809.db2.gz YRDVXVUXJAKEFB-UHFFFAOYSA-N 1 0 279.340 1.854 20 5 CDBDRO CC(C)[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000042058950 348716578 /nfs/dbraw/zinc/71/65/78/348716578.db2.gz UXCZPHGKPXPOLY-UHFFFAOYSA-N 1 0 268.317 1.383 20 5 CDBDRO C[NH+](C)C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000063735335 348931388 /nfs/dbraw/zinc/93/13/88/348931388.db2.gz MGAHAWXWXABZSV-UHFFFAOYSA-N 1 0 277.324 1.761 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000068341415 349061743 /nfs/dbraw/zinc/06/17/43/349061743.db2.gz QVUQGKZIRFYMDR-CYBMUJFWSA-N 1 0 277.324 1.761 20 5 CDBDRO Cn1cc([C@@H](CO)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000274120907 192449277 /nfs/dbraw/zinc/44/92/77/192449277.db2.gz WXEHAAFCUKVWES-CQSZACIVSA-N 1 0 290.323 1.194 20 5 CDBDRO C[NH2+]CCCOc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000515643297 362954628 /nfs/dbraw/zinc/95/46/28/362954628.db2.gz KXLDWVGUJHHFQG-UHFFFAOYSA-N 1 0 252.270 1.786 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000092134428 180332148 /nfs/dbraw/zinc/33/21/48/180332148.db2.gz AUARSBXOTLLJHO-SNVBAGLBSA-N 1 0 265.313 1.409 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[NH+](C)C)c1 ZINC000136291945 362964613 /nfs/dbraw/zinc/96/46/13/362964613.db2.gz NZGWOMKNOREJGJ-UHFFFAOYSA-N 1 0 267.285 1.355 20 5 CDBDRO NC(=O)c1ccc(NCC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000110793550 186324984 /nfs/dbraw/zinc/32/49/84/186324984.db2.gz ZOETYMXPKPIDFJ-JTQLQIEISA-N 1 0 292.339 1.495 20 5 CDBDRO COc1cc(N2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000111051304 186348588 /nfs/dbraw/zinc/34/85/88/186348588.db2.gz KOTKQNYNZZMRRH-SECBINFHSA-N 1 0 251.286 1.388 20 5 CDBDRO C[C@H](CNc1nc2sccn2c1[N+](=O)[O-])C[NH+](C)C ZINC000291768288 198085708 /nfs/dbraw/zinc/08/57/08/198085708.db2.gz HFBGFOVNMFAXEI-MRVPVSSYSA-N 1 0 283.357 1.914 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@]1(O)CCOC1 ZINC000516583621 363155065 /nfs/dbraw/zinc/15/50/65/363155065.db2.gz DOPVDZHQCJTDGP-JSGCOSHPSA-N 1 0 278.308 1.323 20 5 CDBDRO COc1cc(C(=O)N[C@H](C)CCCC[NH3+])ccc1[N+](=O)[O-] ZINC000292042378 198143438 /nfs/dbraw/zinc/14/34/38/198143438.db2.gz IHBGECSBAHEZON-SNVBAGLBSA-N 1 0 295.339 1.851 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135243131 187810616 /nfs/dbraw/zinc/81/06/16/187810616.db2.gz YKWLCNYFHREHMA-ZDUSSCGKSA-N 1 0 277.324 1.348 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000147904278 187915119 /nfs/dbraw/zinc/91/51/19/187915119.db2.gz CQMXDPHJGQOOLI-JTQLQIEISA-N 1 0 263.297 1.337 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000157565054 188325080 /nfs/dbraw/zinc/32/50/80/188325080.db2.gz SLWCQQACEGJFJD-GWCFXTLKSA-N 1 0 293.323 1.217 20 5 CDBDRO COc1ccc(C[NH2+]Cc2cn(C)nc2C)cc1[N+](=O)[O-] ZINC000157702499 188333586 /nfs/dbraw/zinc/33/35/86/188333586.db2.gz JYGYWDOLOLSADU-UHFFFAOYSA-N 1 0 290.323 1.935 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000158143344 188359848 /nfs/dbraw/zinc/35/98/48/188359848.db2.gz KZZAPFKUCOVCFO-SNVBAGLBSA-N 1 0 297.742 1.740 20 5 CDBDRO C[C@H](CO)N(Cc1ccc([N+](=O)[O-])cc1F)C[C@H](C)O ZINC000276234770 363275397 /nfs/dbraw/zinc/27/53/97/363275397.db2.gz TTYJSHPLLRBXFW-ZJUUUORDSA-N 1 0 286.303 1.298 20 5 CDBDRO Cc1cccc(C(=O)NCC[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000063170350 363278003 /nfs/dbraw/zinc/27/80/03/363278003.db2.gz YLGJFZCNGXIOOR-SECBINFHSA-N 1 0 251.286 1.370 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365331604 363345985 /nfs/dbraw/zinc/34/59/85/363345985.db2.gz PAVLUZBIFBJZKS-IUCAKERBSA-N 1 0 265.269 1.012 20 5 CDBDRO [NH3+]C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000164678029 363390763 /nfs/dbraw/zinc/39/07/63/363390763.db2.gz QKCDBKUUPLHDQJ-LLVKDONJSA-N 1 0 285.731 1.408 20 5 CDBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H]1[NH+](C)C ZINC000271839966 191361861 /nfs/dbraw/zinc/36/18/61/191361861.db2.gz UEHFZXPPRWDUGH-VHSXEESVSA-N 1 0 298.368 1.041 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000272734884 191888878 /nfs/dbraw/zinc/88/88/78/191888878.db2.gz PWSXZEWTQNIRPT-SECBINFHSA-N 1 0 281.316 1.452 20 5 CDBDRO CC(C)(CCC[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000336833856 356291377 /nfs/dbraw/zinc/29/13/77/356291377.db2.gz PKGZLBKIVYLDGX-UHFFFAOYSA-N 1 0 283.303 1.981 20 5 CDBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cn1)[N@@H+]1CCC[C@H](C)C1 ZINC000273591649 192220240 /nfs/dbraw/zinc/22/02/40/192220240.db2.gz HHTLSPWOHYSATH-QWRGUYRKSA-N 1 0 279.344 1.917 20 5 CDBDRO COC(=O)COC[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000295475047 291097250 /nfs/dbraw/zinc/09/72/50/291097250.db2.gz RUJJBFWKZOCRPF-MNOVXSKESA-N 1 0 296.323 1.824 20 5 CDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[NH2+]CC1 ZINC000019432185 356485533 /nfs/dbraw/zinc/48/55/33/356485533.db2.gz VWHUPQWEWVXVHS-QPJJXVBHSA-N 1 0 275.308 1.430 20 5 CDBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000262593725 535307280 /nfs/dbraw/zinc/30/72/80/535307280.db2.gz GIAGYEPCEQYIGV-SECBINFHSA-N 1 0 280.328 1.280 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163528855 356803801 /nfs/dbraw/zinc/80/38/01/356803801.db2.gz ZURQHJSKDVWTOK-SCZZXKLOSA-N 1 0 283.353 1.713 20 5 CDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC1(CO)COC1 ZINC000560478397 356970038 /nfs/dbraw/zinc/97/00/38/356970038.db2.gz WALXXMCUIWRSAE-UHFFFAOYSA-N 1 0 280.324 1.078 20 5 CDBDRO C[N@H+](C[C@@H](O)COc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000290537608 357213090 /nfs/dbraw/zinc/21/30/90/357213090.db2.gz DUGIZKAYXQJTFZ-LLVKDONJSA-N 1 0 284.287 1.568 20 5 CDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000119032626 357223580 /nfs/dbraw/zinc/22/35/80/357223580.db2.gz IUXPNDVFEDICTP-MNOVXSKESA-N 1 0 293.323 1.744 20 5 CDBDRO C[N@@H+](CCc1ccncc1)CCn1ccc([N+](=O)[O-])n1 ZINC000181457858 357349819 /nfs/dbraw/zinc/34/98/19/357349819.db2.gz YFVKLSFKDGQWMA-UHFFFAOYSA-N 1 0 275.312 1.361 20 5 CDBDRO Cc1sc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000185099738 357507918 /nfs/dbraw/zinc/50/79/18/357507918.db2.gz YLPWPIPJPAOOSJ-AEJSXWLSSA-N 1 0 295.364 1.774 20 5 CDBDRO CC[C@@](C)(O)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000096478763 357479252 /nfs/dbraw/zinc/47/92/52/357479252.db2.gz NCCXENMDUPAOJC-CYBMUJFWSA-N 1 0 268.313 1.854 20 5 CDBDRO CC(C)(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(N)=O ZINC000283039891 357519846 /nfs/dbraw/zinc/51/98/46/357519846.db2.gz IHXYTUHEMPWGGG-LLVKDONJSA-N 1 0 283.303 1.724 20 5 CDBDRO Cc1cc(NCC[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000296003291 357593723 /nfs/dbraw/zinc/59/37/23/357593723.db2.gz MYFINKLIWWBOQE-UHFFFAOYSA-N 1 0 279.340 1.772 20 5 CDBDRO COCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284139876 357645832 /nfs/dbraw/zinc/64/58/32/357645832.db2.gz ORMNAKNGKXGTFE-HZMBPMFUSA-N 1 0 297.355 1.615 20 5 CDBDRO C[C@@H]([NH2+]CCCCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294490555 199059822 /nfs/dbraw/zinc/05/98/22/199059822.db2.gz XTLXEIJQUSVLHO-SNVBAGLBSA-N 1 0 267.329 1.990 20 5 CDBDRO C[C@@H](O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000189334800 357998374 /nfs/dbraw/zinc/99/83/74/357998374.db2.gz QFGPRCDQWPWPAT-GFCCVEGCSA-N 1 0 279.340 1.093 20 5 CDBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H](O)C(F)(F)F ZINC000189478381 358016091 /nfs/dbraw/zinc/01/60/91/358016091.db2.gz DXGAGLQMFIBGQL-MRVPVSSYSA-N 1 0 296.249 1.036 20 5 CDBDRO Cc1cc(OCC(=O)N[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000286888354 358023660 /nfs/dbraw/zinc/02/36/60/358023660.db2.gz FYRAKYRGGZFPGK-NSHDSACASA-N 1 0 295.339 1.348 20 5 CDBDRO C[C@@H]([NH2+]CCOCCO)c1ccc([N+](=O)[O-])cc1 ZINC000037177162 363605116 /nfs/dbraw/zinc/60/51/16/363605116.db2.gz UGMQCRVFFXMDHP-SNVBAGLBSA-N 1 0 254.286 1.254 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCCC[C@@H]1CCC[NH2+]1 ZINC000294837681 199206171 /nfs/dbraw/zinc/20/61/71/199206171.db2.gz MFVKKMFDOHDMMJ-ZDUSSCGKSA-N 1 0 291.351 1.786 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000165981281 358449155 /nfs/dbraw/zinc/44/91/55/358449155.db2.gz ZXYUHDUFXFADNO-RNCFNFMXSA-N 1 0 295.314 1.933 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132636370 358572651 /nfs/dbraw/zinc/57/26/51/358572651.db2.gz RMCFHQNMQYCEAQ-SNVBAGLBSA-N 1 0 267.260 1.216 20 5 CDBDRO Cc1c(OC[C@@H](O)C[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000290844722 358677295 /nfs/dbraw/zinc/67/72/95/358677295.db2.gz WMQWNFPGDKQRRU-LBPRGKRZSA-N 1 0 280.324 1.737 20 5 CDBDRO CC[N@@H+]1CCCC[C@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000264828514 358713473 /nfs/dbraw/zinc/71/34/73/358713473.db2.gz ZDAZAZRNLSNQQB-JTQLQIEISA-N 1 0 267.333 1.615 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](CO)c1ccccc1 ZINC000267150445 358858372 /nfs/dbraw/zinc/85/83/72/358858372.db2.gz CDXMLASKXRFRCQ-ZDUSSCGKSA-N 1 0 290.323 1.457 20 5 CDBDRO COc1cc(C[NH2+]C[C@H]2CCCO2)c([N+](=O)[O-])cc1O ZINC000101588951 358853687 /nfs/dbraw/zinc/85/36/87/358853687.db2.gz RCDSUTWPHCNLRC-SNVBAGLBSA-N 1 0 282.296 1.578 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000354006695 358890107 /nfs/dbraw/zinc/89/01/07/358890107.db2.gz NBPCHXUKOXELNQ-JTQLQIEISA-N 1 0 292.339 1.464 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000104187567 358950173 /nfs/dbraw/zinc/95/01/73/358950173.db2.gz PVSWODZJZYPBPF-SNVBAGLBSA-N 1 0 263.297 1.276 20 5 CDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1csc([N+](=O)[O-])c1 ZINC000104359303 358956427 /nfs/dbraw/zinc/95/64/27/358956427.db2.gz LIIOJIXXZBVVJC-QMMMGPOBSA-N 1 0 269.326 1.386 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NCC[N@@H+]1CCCC1(C)C ZINC000450952674 359023250 /nfs/dbraw/zinc/02/32/50/359023250.db2.gz VDAISQQZCMIKDJ-UHFFFAOYSA-N 1 0 267.333 1.615 20 5 CDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccncc1F ZINC000338345017 359120186 /nfs/dbraw/zinc/12/01/86/359120186.db2.gz PUPCUMNMTVCGLM-VIFPVBQESA-N 1 0 279.275 1.676 20 5 CDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCn2cnc([N+](=O)[O-])c2)C1 ZINC000569500839 359244952 /nfs/dbraw/zinc/24/49/52/359244952.db2.gz BKRKLZXRHWXPGS-PHIMTYICSA-N 1 0 252.318 1.769 20 5 CDBDRO Cn1c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000339671735 359426382 /nfs/dbraw/zinc/42/63/82/359426382.db2.gz QARJZKMUYUOZNU-WDEREUQCSA-N 1 0 292.339 1.290 20 5 CDBDRO CC(C)[C@]1(CO)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000339702959 359431314 /nfs/dbraw/zinc/43/13/14/359431314.db2.gz UWCZTBPRCIAZMF-CQSZACIVSA-N 1 0 296.371 1.522 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000050394694 359439810 /nfs/dbraw/zinc/43/98/10/359439810.db2.gz OAZBVFZZZHWIAL-ZYHUDNBSSA-N 1 0 277.324 1.832 20 5 CDBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nncn1C ZINC000050418876 359452986 /nfs/dbraw/zinc/45/29/86/359452986.db2.gz DZWSJZFRRHFHEZ-JTQLQIEISA-N 1 0 275.312 1.617 20 5 CDBDRO Cc1sc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000153794679 237022908 /nfs/dbraw/zinc/02/29/08/237022908.db2.gz ATHYTKFBXPWPOH-OCAPTIKFSA-N 1 0 283.353 1.787 20 5 CDBDRO [NH3+][C@@H]1CC[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000157469771 237104792 /nfs/dbraw/zinc/10/47/92/237104792.db2.gz GMOGSFRNRIMVPJ-WCQYABFASA-N 1 0 289.335 1.607 20 5 CDBDRO COc1cccc(NC[C@H]2COCC[NH2+]2)c1[N+](=O)[O-] ZINC000234986500 359668206 /nfs/dbraw/zinc/66/82/06/359668206.db2.gz IMZCTMMLAFUKNP-VIFPVBQESA-N 1 0 267.285 1.004 20 5 CDBDRO O=C(COc1ccccc1[N+](=O)[O-])NCC1CC[NH2+]CC1 ZINC000297284640 200134952 /nfs/dbraw/zinc/13/49/52/200134952.db2.gz UIIXJKPTZNMYCP-UHFFFAOYSA-N 1 0 293.323 1.089 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000297672987 200258743 /nfs/dbraw/zinc/25/87/43/200258743.db2.gz GDLAHDNHZCRQMT-VIFPVBQESA-N 1 0 279.300 1.063 20 5 CDBDRO C[C@H](NC(=O)NCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000297821552 200287337 /nfs/dbraw/zinc/28/73/37/200287337.db2.gz ZIEPJEZSDLMMEX-JTQLQIEISA-N 1 0 280.328 1.517 20 5 CDBDRO CCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000347915780 359943119 /nfs/dbraw/zinc/94/31/19/359943119.db2.gz HASJPVQZCWGTPQ-UHFFFAOYSA-N 1 0 268.317 1.337 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000487309900 359945543 /nfs/dbraw/zinc/94/55/43/359945543.db2.gz PHFUNDKCPXMMNQ-GXFFZTMASA-N 1 0 291.351 1.717 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000562443346 359991796 /nfs/dbraw/zinc/99/17/96/359991796.db2.gz FXQZBJIIPSPRLD-CYBMUJFWSA-N 1 0 293.367 2.000 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000235378654 360064457 /nfs/dbraw/zinc/06/44/57/360064457.db2.gz AMABNEPWOBLJBC-PWSUYJOCSA-N 1 0 277.324 1.774 20 5 CDBDRO C[C@H](C(=O)NCC[NH+]1CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000348041727 360141193 /nfs/dbraw/zinc/14/11/93/360141193.db2.gz LBZIWJFCQWZWMC-JTQLQIEISA-N 1 0 295.314 1.659 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000572363961 360471701 /nfs/dbraw/zinc/47/17/01/360471701.db2.gz MVEOWRUCQUVVFS-UHFFFAOYSA-N 1 0 295.339 1.723 20 5 CDBDRO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000385884712 360463598 /nfs/dbraw/zinc/46/35/98/360463598.db2.gz LSLWHURGSNHYGH-ONGXEEELSA-N 1 0 268.288 1.937 20 5 CDBDRO COc1ccc(OCC[N@@H+]2CC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000177967860 189082149 /nfs/dbraw/zinc/08/21/49/189082149.db2.gz ZXQZPZQWUKOPBO-AWEZNQCLSA-N 1 0 296.323 1.439 20 5 CDBDRO C[C@]1(O)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000177970280 189082178 /nfs/dbraw/zinc/08/21/78/189082178.db2.gz FWZUCLZEDJEJBE-ZDUSSCGKSA-N 1 0 250.298 1.594 20 5 CDBDRO COC[C@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000219144685 360807417 /nfs/dbraw/zinc/80/74/17/360807417.db2.gz XLGVEAFDPFAWER-NSHDSACASA-N 1 0 254.286 1.082 20 5 CDBDRO CN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000179090869 189168296 /nfs/dbraw/zinc/16/82/96/189168296.db2.gz WHALFGBUCAXJOU-NSHDSACASA-N 1 0 293.323 1.184 20 5 CDBDRO C[C@@H]([NH2+]CCCC(=O)NC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000180395306 189253220 /nfs/dbraw/zinc/25/32/20/189253220.db2.gz FWAFCPSJVOEWLW-SECBINFHSA-N 1 0 294.311 1.221 20 5 CDBDRO C[C@H]([NH2+]C[C@H](O)Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000180445091 189255746 /nfs/dbraw/zinc/25/57/46/189255746.db2.gz WZNCCCWILJEIKS-FZMZJTMJSA-N 1 0 290.323 1.503 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000070075666 361237028 /nfs/dbraw/zinc/23/70/28/361237028.db2.gz YXRGJJNCLLHBAC-PHIMTYICSA-N 1 0 277.324 1.726 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000168710015 361413255 /nfs/dbraw/zinc/41/32/55/361413255.db2.gz ZRFPMTAHYWXBDA-IUCAKERBSA-N 1 0 281.287 1.543 20 5 CDBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000302169558 201378910 /nfs/dbraw/zinc/37/89/10/201378910.db2.gz TXFQJSJHKKUGSL-ZJUUUORDSA-N 1 0 265.317 1.670 20 5 CDBDRO Cc1cc(C(=O)N[C@H](C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000295219323 363946607 /nfs/dbraw/zinc/94/66/07/363946607.db2.gz MNXYBURUVOIOHD-SNVBAGLBSA-N 1 0 265.313 1.760 20 5 CDBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000345816316 364022697 /nfs/dbraw/zinc/02/26/97/364022697.db2.gz LFINIIAJXVJUKR-STQMWFEESA-N 1 0 291.351 1.908 20 5 CDBDRO C[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[NH+](C)C ZINC000268154853 364355126 /nfs/dbraw/zinc/35/51/26/364355126.db2.gz NEUMOAVBTJSEOE-MRVPVSSYSA-N 1 0 269.276 1.414 20 5 CDBDRO C[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000042410396 364585670 /nfs/dbraw/zinc/58/56/70/364585670.db2.gz WBVVZSQTBLHZMK-UHFFFAOYSA-N 1 0 251.242 1.112 20 5 CDBDRO C[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000162346442 364606786 /nfs/dbraw/zinc/60/67/86/364606786.db2.gz IDMWJHDAYXLKRI-YPMHNXCESA-N 1 0 279.340 1.925 20 5 CDBDRO C[C@H]([NH3+])C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000110651832 364939452 /nfs/dbraw/zinc/93/94/52/364939452.db2.gz OIWUUKKXKGJHOG-VIFPVBQESA-N 1 0 250.302 1.553 20 5 CDBDRO CC[NH2+]CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000414660265 241306917 /nfs/dbraw/zinc/30/69/17/241306917.db2.gz VDZMCXLKBONLJL-UHFFFAOYSA-N 1 0 282.300 1.334 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000414663521 241309412 /nfs/dbraw/zinc/30/94/12/241309412.db2.gz SJEPKCFCNMCAPS-SECBINFHSA-N 1 0 264.285 1.387 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417127285 242330156 /nfs/dbraw/zinc/33/01/56/242330156.db2.gz FRROTNATRVTYMD-RKDXNWHRSA-N 1 0 266.301 1.302 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000272311571 367676967 /nfs/dbraw/zinc/67/69/67/367676967.db2.gz RZVMIZITDXSZCZ-GHMZBOCLSA-N 1 0 293.323 1.169 20 5 CDBDRO [NH3+]CCNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417709866 242599919 /nfs/dbraw/zinc/59/99/19/242599919.db2.gz BHSFEYXCJSPZAD-UHFFFAOYSA-N 1 0 280.328 1.175 20 5 CDBDRO C[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000414945661 370914246 /nfs/dbraw/zinc/91/42/46/370914246.db2.gz IOWHCYWCBMLCEY-GXSJLCMTSA-N 1 0 267.304 1.964 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000420293529 244039448 /nfs/dbraw/zinc/03/94/48/244039448.db2.gz YDCHRYSBBSFWGI-SFYZADRCSA-N 1 0 256.331 1.403 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000420367729 244151849 /nfs/dbraw/zinc/15/18/49/244151849.db2.gz NFRWCJKKTDCKEY-TYNCELHUSA-N 1 0 293.367 1.950 20 5 CDBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330755480 203193408 /nfs/dbraw/zinc/19/34/08/203193408.db2.gz KAWJEFRHEVSEOY-LLVKDONJSA-N 1 0 294.355 1.917 20 5 CDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[NH2+]C1 ZINC000414891794 369280085 /nfs/dbraw/zinc/28/00/85/369280085.db2.gz XFRKMASMJYXUPX-ZYHUDNBSSA-N 1 0 292.339 1.263 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(CC(N)=O)CC1 ZINC000421353709 244659765 /nfs/dbraw/zinc/65/97/65/244659765.db2.gz UIFLSKBERAFBFJ-LLVKDONJSA-N 1 0 291.351 1.771 20 5 CDBDRO C[C@H](NC(=O)/C=C/C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000295505514 370436193 /nfs/dbraw/zinc/43/61/93/370436193.db2.gz GYNUPAOIVHNJEF-ZWNMCFTASA-N 1 0 277.324 1.890 20 5 CDBDRO CC[NH2+]CCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000414837481 370494149 /nfs/dbraw/zinc/49/41/49/370494149.db2.gz XQRWWKGHWKDYDC-UHFFFAOYSA-N 1 0 253.302 1.303 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000422637125 245146179 /nfs/dbraw/zinc/14/61/79/245146179.db2.gz XIVOUZQQTLMKHW-NSHDSACASA-N 1 0 277.324 1.646 20 5 CDBDRO COc1ccc(CNC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414893346 371032845 /nfs/dbraw/zinc/03/28/45/371032845.db2.gz KDXVEJVOZBAKLI-NSHDSACASA-N 1 0 265.313 1.430 20 5 CDBDRO NC(=O)C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000367981646 371268415 /nfs/dbraw/zinc/26/84/15/371268415.db2.gz BUTZAHLPJZKQAP-LLVKDONJSA-N 1 0 293.323 1.171 20 5 CDBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000356655735 372990726 /nfs/dbraw/zinc/99/07/26/372990726.db2.gz XIZIZKZEIAXWAA-JTQLQIEISA-N 1 0 297.359 1.179 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000189313897 373279255 /nfs/dbraw/zinc/27/92/55/373279255.db2.gz ZUXANCIOWJJLKK-YUMQZZPRSA-N 1 0 269.326 1.527 20 5 CDBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000274125290 374131770 /nfs/dbraw/zinc/13/17/70/374131770.db2.gz XNSKXCITLOJQAM-VXGBXAGGSA-N 1 0 280.324 1.988 20 5 CDBDRO O=C([C@@H]1CC[NH2+]C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423717339 246000149 /nfs/dbraw/zinc/00/01/49/246000149.db2.gz AQMXDYZRDXMBLW-LLVKDONJSA-N 1 0 289.335 1.695 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)NC(N)=O)cc1[N+](=O)[O-] ZINC000298971475 374280171 /nfs/dbraw/zinc/28/01/71/374280171.db2.gz PEHPFMBNDZRJKT-VIFPVBQESA-N 1 0 294.311 1.139 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000312148915 374278361 /nfs/dbraw/zinc/27/83/61/374278361.db2.gz LIZXMFHXWWJRCZ-DJFZKKHWSA-N 1 0 275.308 1.428 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCO)CCCC2 ZINC000417328845 374245954 /nfs/dbraw/zinc/24/59/54/374245954.db2.gz SQQGNZQYWNWPCN-ZDUSSCGKSA-N 1 0 250.298 1.944 20 5 CDBDRO CCOC(=O)c1cc(NCC[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000420157193 374288893 /nfs/dbraw/zinc/28/88/93/374288893.db2.gz OMEBMDGBUOBWBT-SECBINFHSA-N 1 0 281.312 1.921 20 5 CDBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1ccc([N+](=O)[O-])o1 ZINC000368646690 374321242 /nfs/dbraw/zinc/32/12/42/374321242.db2.gz KFPFFFBQFSWJLE-SECBINFHSA-N 1 0 265.269 1.060 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCC1([NH3+])CCCCC1 ZINC000422702252 374357563 /nfs/dbraw/zinc/35/75/63/374357563.db2.gz KJBYHTFLBIDKID-UHFFFAOYSA-N 1 0 292.339 1.568 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000423996745 374399429 /nfs/dbraw/zinc/39/94/29/374399429.db2.gz KQYXGQHCSMZZOT-NXEZZACHSA-N 1 0 292.339 1.234 20 5 CDBDRO C[C@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423844147 246138580 /nfs/dbraw/zinc/13/85/80/246138580.db2.gz LNVKRKICJHPXSP-LURJTMIESA-N 1 0 257.677 1.212 20 5 CDBDRO CC[C@@](C)(CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000080897052 374484474 /nfs/dbraw/zinc/48/44/74/374484474.db2.gz SODDTFHAWMSARP-ZDUSSCGKSA-N 1 0 268.313 1.854 20 5 CDBDRO C[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000081588881 374527471 /nfs/dbraw/zinc/52/74/71/374527471.db2.gz BFQYUHKPNKMMNL-SECBINFHSA-N 1 0 273.296 1.336 20 5 CDBDRO CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H](C[NH3+])C1CC1 ZINC000423948182 246245557 /nfs/dbraw/zinc/24/55/57/246245557.db2.gz KTTXNZWTDAYEGP-GFCCVEGCSA-N 1 0 293.323 1.169 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000424017973 246291751 /nfs/dbraw/zinc/29/17/51/246291751.db2.gz HXNQNQBZXCLMTK-UHFFFAOYSA-N 1 0 279.340 1.514 20 5 CDBDRO C[NH+](C)CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117742210 374589722 /nfs/dbraw/zinc/58/97/22/374589722.db2.gz JLHGFJGAPDOHTL-UHFFFAOYSA-N 1 0 299.758 1.859 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2C[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000424134075 246347917 /nfs/dbraw/zinc/34/79/17/246347917.db2.gz AKSAWBGQZFHHHI-IEBDPFPHSA-N 1 0 263.297 1.428 20 5 CDBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000037872748 374655126 /nfs/dbraw/zinc/65/51/26/374655126.db2.gz FOFPFBJLSHTJDP-FZMZJTMJSA-N 1 0 290.323 1.503 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(N)c2F)C1 ZINC000274698366 374680176 /nfs/dbraw/zinc/68/01/76/374680176.db2.gz SYXKQKJFMMQSPO-SECBINFHSA-N 1 0 282.319 1.847 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000447903775 374721707 /nfs/dbraw/zinc/72/17/07/374721707.db2.gz IIGRBFNIIPBYEB-AAEUAGOBSA-N 1 0 266.297 1.224 20 5 CDBDRO CCOC1CC(O)(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000277744772 374807788 /nfs/dbraw/zinc/80/77/88/374807788.db2.gz QCWQRWZSDLVMQN-UHFFFAOYSA-N 1 0 280.324 1.614 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CC[NH+](C)C ZINC000277939610 374825252 /nfs/dbraw/zinc/82/52/52/374825252.db2.gz IPROMUVPVRRVBK-UHFFFAOYSA-N 1 0 265.313 1.537 20 5 CDBDRO CN1CCO[C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000332122943 375006822 /nfs/dbraw/zinc/00/68/22/375006822.db2.gz CLCYZROBHXNSRJ-HUUCEWRRSA-N 1 0 291.351 1.152 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH+](C)C ZINC000299499898 375175960 /nfs/dbraw/zinc/17/59/60/375175960.db2.gz MJXMHUYWPXFSNI-UHFFFAOYSA-N 1 0 279.340 1.975 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000161849558 375194530 /nfs/dbraw/zinc/19/45/30/375194530.db2.gz AZQMKENFIXPFKO-RYUDHWBXSA-N 1 0 277.324 1.523 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000131868898 375369829 /nfs/dbraw/zinc/36/98/29/375369829.db2.gz ABELFTNHHOOCAK-CMPLNLGQSA-N 1 0 277.324 1.333 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000154668872 375472832 /nfs/dbraw/zinc/47/28/32/375472832.db2.gz FARNWWHTBPDLMD-GFCCVEGCSA-N 1 0 295.314 1.487 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000129430571 375465386 /nfs/dbraw/zinc/46/53/86/375465386.db2.gz YMHTXRVWNVPTFN-QMMMGPOBSA-N 1 0 285.731 1.834 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493340036 375443694 /nfs/dbraw/zinc/44/36/94/375443694.db2.gz ULMWNSMJDQNKGX-ISGFRBBESA-N 1 0 263.297 1.319 20 5 CDBDRO C[C@H]1CSC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000352799990 375541236 /nfs/dbraw/zinc/54/12/36/375541236.db2.gz ZGCPVGLPZNXIML-WPRPVWTQSA-N 1 0 256.331 1.132 20 5 CDBDRO C[N@@H+]1CC[C@H](Cn2cc(Cl)cc([N+](=O)[O-])c2=O)C1 ZINC000352897788 375550071 /nfs/dbraw/zinc/55/00/71/375550071.db2.gz AJGRUYOKSJVSHV-QMMMGPOBSA-N 1 0 271.704 1.362 20 5 CDBDRO COC[C@@H](CCO)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344884251 375633517 /nfs/dbraw/zinc/63/35/17/375633517.db2.gz YMCZRFQXUWVAKM-ICDLMJIXSA-N 1 0 294.351 1.985 20 5 CDBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC1 ZINC000228959835 375816121 /nfs/dbraw/zinc/81/61/21/375816121.db2.gz FSWJWDDATIIWPS-UWVGGRQHSA-N 1 0 277.324 1.913 20 5 CDBDRO C[N@@H+]1CC[C@](O)(CNC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000358114233 375953094 /nfs/dbraw/zinc/95/30/94/375953094.db2.gz FVCPUXXGOYWNHZ-VOKGJARPSA-N 1 0 291.351 1.264 20 5 CDBDRO Cc1c([C@H](C)[NH2+]C[C@H]2COCCO2)cccc1[N+](=O)[O-] ZINC000358224602 375957375 /nfs/dbraw/zinc/95/73/75/375957375.db2.gz RDQGSJODOQMZHM-RYUDHWBXSA-N 1 0 280.324 1.969 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000164805506 375962229 /nfs/dbraw/zinc/96/22/29/375962229.db2.gz YIDAMRNKBGBCOC-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO C[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)[NH+](C)C ZINC000347425754 376128602 /nfs/dbraw/zinc/12/86/02/376128602.db2.gz KLPHOBYHEHLWAK-VIFPVBQESA-N 1 0 275.312 1.322 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](CO)c1ccccc1 ZINC000267054395 376629379 /nfs/dbraw/zinc/62/93/79/376629379.db2.gz RILPVUXVDNDGJJ-CQSZACIVSA-N 1 0 290.323 1.457 20 5 CDBDRO C[NH+](C)[C@]1(CNc2ccc([N+](=O)[O-])cn2)CCSC1 ZINC000267055013 376630120 /nfs/dbraw/zinc/63/01/20/376630120.db2.gz FUKYYMHDIIOTHE-LBPRGKRZSA-N 1 0 282.369 1.839 20 5 CDBDRO Cc1cccc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)c1[N+](=O)[O-] ZINC000189314449 377231277 /nfs/dbraw/zinc/23/12/77/377231277.db2.gz KTYZBEQYXKTDNX-PWSUYJOCSA-N 1 0 277.324 1.774 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](OCCO)C2)cc1 ZINC000172295443 377431522 /nfs/dbraw/zinc/43/15/22/377431522.db2.gz FIWIEJKEAWESNE-AWEZNQCLSA-N 1 0 280.324 1.568 20 5 CDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H]1C ZINC000354434888 377693736 /nfs/dbraw/zinc/69/37/36/377693736.db2.gz QKMWTSCITNUTPP-QWRGUYRKSA-N 1 0 294.355 1.868 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000266885351 378342455 /nfs/dbraw/zinc/34/24/55/378342455.db2.gz BWOCBBMKHGKNGR-CYBMUJFWSA-N 1 0 275.312 1.957 20 5 CDBDRO CCC[C@]1(CO)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000444772263 250186866 /nfs/dbraw/zinc/18/68/66/250186866.db2.gz NBVLUJFMIIGQGH-CYBMUJFWSA-N 1 0 282.344 1.418 20 5 CDBDRO C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000174873879 379602828 /nfs/dbraw/zinc/60/28/28/379602828.db2.gz WPZCBYKHWNVUAN-GHMZBOCLSA-N 1 0 252.318 1.912 20 5 CDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCCO1 ZINC000174863660 379596356 /nfs/dbraw/zinc/59/63/56/379596356.db2.gz XHXUZKNIQPDCIX-GFCCVEGCSA-N 1 0 268.317 1.292 20 5 CDBDRO CO[C@@]1(C)C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000174882581 379605725 /nfs/dbraw/zinc/60/57/25/379605725.db2.gz LOTYAADTCWECRP-OCCSQVGLSA-N 1 0 296.371 1.927 20 5 CDBDRO Cc1nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000450251539 251192213 /nfs/dbraw/zinc/19/22/13/251192213.db2.gz BKKISZUOISEUSM-GHMZBOCLSA-N 1 0 277.328 1.732 20 5 CDBDRO C[C@H]1C[N@H+](C)CCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491577624 253091479 /nfs/dbraw/zinc/09/14/79/253091479.db2.gz YLOYPKRJPCWRBI-DGMVEKRQSA-N 1 0 289.335 1.771 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493197130 253397110 /nfs/dbraw/zinc/39/71/10/253397110.db2.gz KZVZNCHAXRXYKK-TXNVCOODSA-N 1 0 293.298 1.697 20 5 CDBDRO COCC[C@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000281750629 285167420 /nfs/dbraw/zinc/16/74/20/285167420.db2.gz VYRZGOHNVCNJHS-VXGBXAGGSA-N 1 0 282.340 1.951 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000094339282 184783616 /nfs/dbraw/zinc/78/36/16/184783616.db2.gz YFIHISNWFYOHTK-CMPLNLGQSA-N 1 0 277.324 1.713 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000262449145 390448827 /nfs/dbraw/zinc/44/88/27/390448827.db2.gz JLVMHSDBSBICGN-MRVPVSSYSA-N 1 0 285.731 1.976 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH2+]C(C)(C)C1 ZINC000261603514 390476827 /nfs/dbraw/zinc/47/68/27/390476827.db2.gz QSUGHDATOCMBNU-UHFFFAOYSA-N 1 0 267.333 1.308 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000451479240 390625639 /nfs/dbraw/zinc/62/56/39/390625639.db2.gz MIJPZOGGYMARRD-WCQGTBRESA-N 1 0 294.355 1.622 20 5 CDBDRO CCO[C@H]1C[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000451471851 390625926 /nfs/dbraw/zinc/62/59/26/390625926.db2.gz JCQLSFMMWAHKKS-NEPJUHHUSA-N 1 0 294.355 1.729 20 5 CDBDRO CCO[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000451550916 390632351 /nfs/dbraw/zinc/63/23/51/390632351.db2.gz XGABTLUODIIEIF-DGCLKSJQSA-N 1 0 282.344 1.538 20 5 CDBDRO COc1cc(NC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000111047409 390668083 /nfs/dbraw/zinc/66/80/83/390668083.db2.gz HDRVTOMDJPMLAS-VIFPVBQESA-N 1 0 253.302 1.965 20 5 CDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000127753703 390687048 /nfs/dbraw/zinc/68/70/48/390687048.db2.gz JBKWIQYIKHWFOH-AWEZNQCLSA-N 1 0 293.367 1.969 20 5 CDBDRO CCN(C)C(=O)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000178185315 390837167 /nfs/dbraw/zinc/83/71/67/390837167.db2.gz KEKIIKWBYOVBJK-UHFFFAOYSA-N 1 0 279.340 1.895 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000449710622 390924126 /nfs/dbraw/zinc/92/41/26/390924126.db2.gz BGJCDGOXMLYQGZ-GHMZBOCLSA-N 1 0 293.323 1.217 20 5 CDBDRO CC(C)O[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000517027571 390967872 /nfs/dbraw/zinc/96/78/72/390967872.db2.gz MUCODPKLWKRKHN-LLVKDONJSA-N 1 0 268.317 1.291 20 5 CDBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000517082585 390968246 /nfs/dbraw/zinc/96/82/46/390968246.db2.gz ZGKGZNXEQSCJDO-JTQLQIEISA-N 1 0 280.328 1.479 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](CO)C1 ZINC000266912593 391054732 /nfs/dbraw/zinc/05/47/32/391054732.db2.gz JKJCRVVBIRGSQK-MNOVXSKESA-N 1 0 250.298 1.970 20 5 CDBDRO CCC[C@@](C)([NH3+])C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000519708505 391204471 /nfs/dbraw/zinc/20/44/71/391204471.db2.gz FWYSCPCQWOUMDD-CQSZACIVSA-N 1 0 295.339 1.607 20 5 CDBDRO Cc1nc(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000520337569 391270698 /nfs/dbraw/zinc/27/06/98/391270698.db2.gz FITQIYSHXHHUAH-SNVBAGLBSA-N 1 0 291.355 1.614 20 5 CDBDRO CO[C@@H](C)CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000574982627 391284000 /nfs/dbraw/zinc/28/40/00/391284000.db2.gz FTRLKVIHASWJPR-WCQYABFASA-N 1 0 298.339 1.349 20 5 CDBDRO COC[C@]1(CO)CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000449698652 391288160 /nfs/dbraw/zinc/28/81/60/391288160.db2.gz NNHYWSHWBMHLQZ-OAHLLOKOSA-N 1 0 294.351 1.734 20 5 CDBDRO Cc1cc(NC(=O)N[C@@H](C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000415416873 391408456 /nfs/dbraw/zinc/40/84/56/391408456.db2.gz LHVBSGAZVASWLX-NSHDSACASA-N 1 0 278.312 1.762 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415377398 391376342 /nfs/dbraw/zinc/37/63/42/391376342.db2.gz AQALFSBOVZYJJS-VHSXEESVSA-N 1 0 293.327 1.051 20 5 CDBDRO COC[C@@H](O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279081482 391464284 /nfs/dbraw/zinc/46/42/84/391464284.db2.gz MQIHZYWAIRYMJE-SMDDNHRTSA-N 1 0 294.351 1.914 20 5 CDBDRO C[C@H]1[C@H]([NH3+])CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415636545 391470329 /nfs/dbraw/zinc/47/03/29/391470329.db2.gz XSNREDGKOJOUPC-WRWORJQWSA-N 1 0 282.275 1.687 20 5 CDBDRO Cc1cc(N2C[C@H](C)[NH2+]C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000092027787 391647486 /nfs/dbraw/zinc/64/74/86/391647486.db2.gz JLLYEORFQJFMSZ-UWVGGRQHSA-N 1 0 250.302 1.485 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000089090987 391692302 /nfs/dbraw/zinc/69/23/02/391692302.db2.gz CTWUXGLWUOZLQB-MWLCHTKSSA-N 1 0 263.297 1.452 20 5 CDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[NH2+]1 ZINC000237994630 391723851 /nfs/dbraw/zinc/72/38/51/391723851.db2.gz PJVLXJUEFQPOPZ-NSHDSACASA-N 1 0 293.323 1.232 20 5 CDBDRO O=[N+]([O-])c1cnc(NCC[NH+]2CCCCC2)s1 ZINC000189685004 130007746 /nfs/dbraw/zinc/00/77/46/130007746.db2.gz XWJOFEIAZDUXGA-UHFFFAOYSA-N 1 0 256.331 1.949 20 5 CDBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000185615380 391736739 /nfs/dbraw/zinc/73/67/39/391736739.db2.gz GFROVFBPSCTIQP-QWRGUYRKSA-N 1 0 252.318 1.912 20 5 CDBDRO C[NH+](C)CC1(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCC1 ZINC000341954467 130171202 /nfs/dbraw/zinc/17/12/02/130171202.db2.gz DSUJNEGMEPSXTE-UHFFFAOYSA-N 1 0 295.314 1.948 20 5 CDBDRO CC[C@@]1(O)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000495194680 391906095 /nfs/dbraw/zinc/90/60/95/391906095.db2.gz OPLSGKNRFAVXNQ-CQSZACIVSA-N 1 0 293.323 1.041 20 5 CDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000236641617 130964505 /nfs/dbraw/zinc/96/45/05/130964505.db2.gz OHASZBJBOASSDP-AWEZNQCLSA-N 1 0 295.339 1.463 20 5 CDBDRO C[NH2+]CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000237052924 131000802 /nfs/dbraw/zinc/00/08/02/131000802.db2.gz VZZOWDVQYPLPOU-UHFFFAOYSA-N 1 0 271.704 1.126 20 5 CDBDRO CCc1ccc(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000237138310 131007315 /nfs/dbraw/zinc/00/73/15/131007315.db2.gz WIFIROBCHXCACK-QWRGUYRKSA-N 1 0 291.351 1.980 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000237468816 131033866 /nfs/dbraw/zinc/03/38/66/131033866.db2.gz FSILHYUYAOVZFJ-VIFPVBQESA-N 1 0 292.339 1.588 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261690661 131162461 /nfs/dbraw/zinc/16/24/61/131162461.db2.gz NGJDMLSMXUXLDA-OCCSQVGLSA-N 1 0 289.335 1.348 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261907230 131176985 /nfs/dbraw/zinc/17/69/85/131176985.db2.gz WZMUATKKZWIWGQ-AOOOYVTPSA-N 1 0 295.364 1.728 20 5 CDBDRO Cc1sc(C(=O)NCC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000262573911 131235413 /nfs/dbraw/zinc/23/54/13/131235413.db2.gz IJFRXOHEIIBCHE-VIFPVBQESA-N 1 0 283.353 1.694 20 5 CDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCC[C@H]1CC[NH2+]C1 ZINC000262592527 131237761 /nfs/dbraw/zinc/23/77/61/131237761.db2.gz SBINCRYPRHZGJZ-LLVKDONJSA-N 1 0 292.339 1.123 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000262814513 131263748 /nfs/dbraw/zinc/26/37/48/131263748.db2.gz RONQDETZGTYHAO-WDEREUQCSA-N 1 0 277.324 1.346 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000524285554 392898804 /nfs/dbraw/zinc/89/88/04/392898804.db2.gz ARZIZSNCFKMEQQ-JTQLQIEISA-N 1 0 265.317 1.003 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)N(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000417840646 392874338 /nfs/dbraw/zinc/87/43/38/392874338.db2.gz FLVFLIIQUZDCPT-JTQLQIEISA-N 1 0 280.328 1.564 20 5 CDBDRO Cc1ccc(C(=O)NCC[N@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000525292888 392925948 /nfs/dbraw/zinc/92/59/48/392925948.db2.gz RFJCJPNMBZLFDG-NSHDSACASA-N 1 0 291.351 1.975 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000268954699 132093343 /nfs/dbraw/zinc/09/33/43/132093343.db2.gz YKQULBFMTPZBGF-VIFPVBQESA-N 1 0 281.312 1.218 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000269125823 132117172 /nfs/dbraw/zinc/11/71/72/132117172.db2.gz LXVWGEOXRBKRSD-SNVBAGLBSA-N 1 0 297.742 1.611 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000269166349 132123881 /nfs/dbraw/zinc/12/38/81/132123881.db2.gz QCYIWCNKKLDKST-JTQLQIEISA-N 1 0 279.340 1.726 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000269265278 132146337 /nfs/dbraw/zinc/14/63/37/132146337.db2.gz KKZVZWNLWFWRQZ-NSHDSACASA-N 1 0 294.355 1.496 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]([NH3+])CC ZINC000423672826 392965687 /nfs/dbraw/zinc/96/56/87/392965687.db2.gz FESZGEJXFSHYKH-VIFPVBQESA-N 1 0 281.312 1.461 20 5 CDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])n1 ZINC000423687992 392967093 /nfs/dbraw/zinc/96/70/93/392967093.db2.gz WFJNCSGZRWDSTE-VHSXEESVSA-N 1 0 295.343 1.011 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](CO)[C@H]1C ZINC000430240228 393094493 /nfs/dbraw/zinc/09/44/93/393094493.db2.gz LZOAXEOZFQCMFJ-ZYHUDNBSSA-N 1 0 280.324 1.806 20 5 CDBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430240663 393095561 /nfs/dbraw/zinc/09/55/61/393095561.db2.gz DVSFGNPSABRDKH-SNVBAGLBSA-N 1 0 295.339 1.417 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H]1C[NH3+] ZINC000070176955 393103277 /nfs/dbraw/zinc/10/32/77/393103277.db2.gz MPVLORLDQUQPRN-GXSJLCMTSA-N 1 0 280.328 1.133 20 5 CDBDRO COC[C@@](C)(O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532498944 393074863 /nfs/dbraw/zinc/07/48/63/393074863.db2.gz WBXVNNIPVRWVJS-FZMZJTMJSA-N 1 0 282.340 1.951 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCNC1=O ZINC000449108085 393129136 /nfs/dbraw/zinc/12/91/36/393129136.db2.gz PNKDBYYWLPIZAO-PWSUYJOCSA-N 1 0 277.324 1.394 20 5 CDBDRO CCCNC(=O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449057772 393129357 /nfs/dbraw/zinc/12/93/57/393129357.db2.gz DWKCMWQRMROWIT-NSHDSACASA-N 1 0 279.340 1.642 20 5 CDBDRO CCOc1ccc(C(=O)N[C@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000449590236 393136020 /nfs/dbraw/zinc/13/60/20/393136020.db2.gz KYSFRJGIBKTEFD-DTWKUNHWSA-N 1 0 281.312 1.459 20 5 CDBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1csc([N+](=O)[O-])c1 ZINC000449660081 393137274 /nfs/dbraw/zinc/13/72/74/393137274.db2.gz DYPJIJZNGJABHL-SSDOTTSWSA-N 1 0 291.279 1.383 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000449748544 393141910 /nfs/dbraw/zinc/14/19/10/393141910.db2.gz BUQWLDCJRLERAN-SNVBAGLBSA-N 1 0 278.312 1.047 20 5 CDBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332613690 393154243 /nfs/dbraw/zinc/15/42/43/393154243.db2.gz DRSRRWOCJCBWNC-UWVGGRQHSA-N 1 0 268.317 1.064 20 5 CDBDRO CO[C@@H](C)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332674775 393155348 /nfs/dbraw/zinc/15/53/48/393155348.db2.gz CRSUCQDQQPKHGA-JTQLQIEISA-N 1 0 250.298 1.988 20 5 CDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCCNC1=O ZINC000285381311 393195746 /nfs/dbraw/zinc/19/57/46/393195746.db2.gz RRUTYNRFDKCPCV-CQSZACIVSA-N 1 0 291.351 1.738 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@]1(C)CCC[NH2+]C1 ZINC000129378860 139815207 /nfs/dbraw/zinc/81/52/07/139815207.db2.gz RSDNGIBBZNGQIC-NSHDSACASA-N 1 0 253.306 1.130 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000163603516 139919646 /nfs/dbraw/zinc/91/96/46/139919646.db2.gz KNRIXPWKHVNEQD-GWCFXTLKSA-N 1 0 291.351 1.960 20 5 CDBDRO Cc1cc(C(=O)NC2(C)CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000189333706 140114266 /nfs/dbraw/zinc/11/42/66/140114266.db2.gz AZEBDPXFXJAEJX-UHFFFAOYSA-N 1 0 277.324 1.775 20 5 CDBDRO [NH3+]C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000236252285 140240513 /nfs/dbraw/zinc/24/05/13/140240513.db2.gz TXRIZMRCTGFEKV-ZDUSSCGKSA-N 1 0 291.351 1.771 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000237473860 140254576 /nfs/dbraw/zinc/25/45/76/140254576.db2.gz XILPLYGVSAZDQG-RKDXNWHRSA-N 1 0 278.312 1.121 20 5 CDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261641567 140367055 /nfs/dbraw/zinc/36/70/55/140367055.db2.gz IRKUAWXJHUKQJF-AWEZNQCLSA-N 1 0 293.298 1.560 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000261646412 140368717 /nfs/dbraw/zinc/36/87/17/140368717.db2.gz JEUZSQVZNBKBGF-VYUIOLGVSA-N 1 0 295.314 1.850 20 5 CDBDRO COC[C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269650365 397608233 /nfs/dbraw/zinc/60/82/33/397608233.db2.gz MDHIVELCRARXIN-SMDDNHRTSA-N 1 0 280.324 1.597 20 5 CDBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000036257841 397923206 /nfs/dbraw/zinc/92/32/06/397923206.db2.gz SGUOAPFWYMRTMD-SECBINFHSA-N 1 0 278.312 1.327 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCC[NH2+]1 ZINC000091558165 146985715 /nfs/dbraw/zinc/98/57/15/146985715.db2.gz IRDLIXUBBUSZFO-VIFPVBQESA-N 1 0 253.306 1.284 20 5 CDBDRO CNC(=O)[C@H](C)C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093898811 147071849 /nfs/dbraw/zinc/07/18/49/147071849.db2.gz CXFRMYBZVWKPPG-WAFBPQNNSA-N 1 0 291.351 1.922 20 5 CDBDRO [NH3+]CCCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000103101208 147167309 /nfs/dbraw/zinc/16/73/09/147167309.db2.gz YDRZQAGYIWTONW-UHFFFAOYSA-N 1 0 255.303 1.455 20 5 CDBDRO O=[N+]([O-])c1ccn(CCN2CCC[C@@H]2C[NH+]2CCCC2)n1 ZINC000176231596 148029883 /nfs/dbraw/zinc/02/98/83/148029883.db2.gz PBDRXFALMWRZME-CYBMUJFWSA-N 1 0 293.371 1.352 20 5 CDBDRO CCC[N@H+](C)C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000176273682 148035543 /nfs/dbraw/zinc/03/55/43/148035543.db2.gz VVNIUCGNOJHKGU-ZDUSSCGKSA-N 1 0 295.387 1.455 20 5 CDBDRO C[C@@H](CCC[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000336815000 151721386 /nfs/dbraw/zinc/72/13/86/151721386.db2.gz YOYYZPGUFAXGLY-VIFPVBQESA-N 1 0 287.341 1.001 20 5 CDBDRO C[C@@H]1[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343418133 152165703 /nfs/dbraw/zinc/16/57/03/152165703.db2.gz BCNMMORPJRQPQP-PWSUYJOCSA-N 1 0 277.324 1.807 20 5 CDBDRO CC[N@H+](CCCO)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343690433 152268070 /nfs/dbraw/zinc/26/80/70/152268070.db2.gz RBQRTKVACDEAFO-NSHDSACASA-N 1 0 295.339 1.626 20 5 CDBDRO [NH3+][C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000346052398 153036070 /nfs/dbraw/zinc/03/60/70/153036070.db2.gz CVWKRQCZHCTEET-LLVKDONJSA-N 1 0 265.313 1.397 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000346139216 153067576 /nfs/dbraw/zinc/06/75/76/153067576.db2.gz NXAWNNYQFJZPBL-SECBINFHSA-N 1 0 290.323 1.756 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000346258674 153114971 /nfs/dbraw/zinc/11/49/71/153114971.db2.gz KCMZDDGXRPJPRQ-MRVPVSSYSA-N 1 0 285.731 1.928 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@]1(CO)CCOC1 ZINC000350222009 154351026 /nfs/dbraw/zinc/35/10/26/154351026.db2.gz IGLVXPRHQKAPMT-PKXJPQMGSA-N 1 0 278.308 1.349 20 5 CDBDRO CN(Cc1csc([N+](=O)[O-])c1)C1CC[NH+](CCO)CC1 ZINC000353362582 155809983 /nfs/dbraw/zinc/80/99/83/155809983.db2.gz ZGSZFNOYONUEKJ-UHFFFAOYSA-N 1 0 299.396 1.545 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CC[C@H](CO)O2)cs1 ZINC000353701848 156024579 /nfs/dbraw/zinc/02/45/79/156024579.db2.gz HSHCHSYWOFQRPX-VHSXEESVSA-N 1 0 272.326 1.286 20 5 CDBDRO CC1=CC[N@H+](CCNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000355519003 157095879 /nfs/dbraw/zinc/09/58/79/157095879.db2.gz IVFDOONRVHHVJC-UHFFFAOYSA-N 1 0 289.335 1.977 20 5 CDBDRO CCC[N@H+](C)CC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000359133431 158136322 /nfs/dbraw/zinc/13/63/22/158136322.db2.gz XEWCWHNKOIQTGA-UHFFFAOYSA-N 1 0 293.367 1.938 20 5 CDBDRO CO[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000374690622 160308034 /nfs/dbraw/zinc/30/80/34/160308034.db2.gz APXJIVPKBPJZRD-GFCCVEGCSA-N 1 0 268.317 1.292 20 5 CDBDRO C[C@@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343516025 163794470 /nfs/dbraw/zinc/79/44/70/163794470.db2.gz KJBNLJLZELWSMG-BXUZGUMPSA-N 1 0 291.351 1.736 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[NH2+]CC1 ZINC000035407366 172178332 /nfs/dbraw/zinc/17/83/32/172178332.db2.gz DAJUQQFSFMCXRU-UHFFFAOYSA-N 1 0 264.285 1.422 20 5 CDBDRO CC[C@@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285411596 196276533 /nfs/dbraw/zinc/27/65/33/196276533.db2.gz UVFVTZANNIMFOQ-GFCCVEGCSA-N 1 0 252.314 1.840 20 5 CDBDRO Cc1noc(C)c1C(C)(C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000285511081 196308845 /nfs/dbraw/zinc/30/88/45/196308845.db2.gz DIGIESVHMNTFKZ-UHFFFAOYSA-N 1 0 293.327 1.921 20 5 CDBDRO C[C@@H](CC[NH+](C)C)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000286081619 196490607 /nfs/dbraw/zinc/49/06/07/196490607.db2.gz DKXKNRWBZMFDSR-VIFPVBQESA-N 1 0 252.318 1.929 20 5 CDBDRO Cc1c(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000040740842 174390878 /nfs/dbraw/zinc/39/08/78/174390878.db2.gz PTWHKWOYVRIMCG-FOSCPWQOSA-N 1 0 289.335 1.916 20 5 CDBDRO Cc1ccc(C(=O)N2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000044528707 175193655 /nfs/dbraw/zinc/19/36/55/175193655.db2.gz SYLYTTIWMDSTQS-NSHDSACASA-N 1 0 277.324 1.714 20 5 CDBDRO CN1CC[N@H+](C)C[C@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000070078995 260151312 /nfs/dbraw/zinc/15/13/12/260151312.db2.gz XRSUNSGSIQXGQG-SNVBAGLBSA-N 1 0 282.319 1.392 20 5 CDBDRO CNc1ccc(C(=O)N2CC[C@H](C[NH2+]C)C2)cc1[N+](=O)[O-] ZINC000517932076 260320044 /nfs/dbraw/zinc/32/00/44/260320044.db2.gz BMWMALQGSDNZDO-SNVBAGLBSA-N 1 0 292.339 1.318 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CCC3)CC2)cn1 ZINC000525271306 270614286 /nfs/dbraw/zinc/61/42/86/270614286.db2.gz WOBDDYLCKLVPFF-UHFFFAOYSA-N 1 0 276.340 1.912 20 5 CDBDRO CC(C)[NH+]1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000192774762 273533152 /nfs/dbraw/zinc/53/31/52/273533152.db2.gz URGKSKPWOFMQEX-UHFFFAOYSA-N 1 0 264.329 1.707 20 5 CDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000286025953 274620925 /nfs/dbraw/zinc/62/09/25/274620925.db2.gz ZUYSFYKBSJUFEV-QWRGUYRKSA-N 1 0 293.323 1.887 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000135239031 274680605 /nfs/dbraw/zinc/68/06/05/274680605.db2.gz IIWINTMLZQNLSU-ZWNOBZJWSA-N 1 0 277.324 1.760 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC2([NH3+])CCC2)n1 ZINC000420225762 274686514 /nfs/dbraw/zinc/68/65/14/274686514.db2.gz FESVIMZXFPGQCR-UHFFFAOYSA-N 1 0 250.302 1.900 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420341047 275039419 /nfs/dbraw/zinc/03/94/19/275039419.db2.gz NNLMIVZMVNNZIU-RNCFNFMXSA-N 1 0 265.288 1.528 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261588718 275039871 /nfs/dbraw/zinc/03/98/71/275039871.db2.gz KHTZYKKTBMVUDZ-AAEUAGOBSA-N 1 0 261.325 1.779 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)CC[NH+](C)C ZINC000091550047 276722380 /nfs/dbraw/zinc/72/23/80/276722380.db2.gz GBEMEBBYESOCQV-VIFPVBQESA-N 1 0 269.349 1.872 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000273705440 277085009 /nfs/dbraw/zinc/08/50/09/277085009.db2.gz DJYNFBGSJYVRLW-CMPLNLGQSA-N 1 0 277.328 1.305 20 5 CDBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000292152662 277160798 /nfs/dbraw/zinc/16/07/98/277160798.db2.gz CIRJAOOFFYFYND-CYBMUJFWSA-N 1 0 262.313 1.522 20 5 CDBDRO C[NH2+][C@@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000149412926 277295218 /nfs/dbraw/zinc/29/52/18/277295218.db2.gz IRBKHTDVWIHODH-SECBINFHSA-N 1 0 270.720 1.831 20 5 CDBDRO CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000290116997 277752706 /nfs/dbraw/zinc/75/27/06/277752706.db2.gz KIYJYLPSNXNCJW-SWHYSGLUSA-N 1 0 280.324 1.968 20 5 CDBDRO C[C@H](CCO)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331005670 278175143 /nfs/dbraw/zinc/17/51/43/278175143.db2.gz LKZJXCIQLIBGDB-IJLUTSLNSA-N 1 0 282.344 1.636 20 5 CDBDRO C[C@H](NC(=O)NC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000418227168 278244517 /nfs/dbraw/zinc/24/45/17/278244517.db2.gz BRWHEUCYEQSUFV-CMPLNLGQSA-N 1 0 292.339 1.707 20 5 CDBDRO C[C@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000342516725 278443758 /nfs/dbraw/zinc/44/37/58/278443758.db2.gz WPARQJQGYNCKMY-JOYOIKCWSA-N 1 0 292.339 1.080 20 5 CDBDRO CC[N@H+](C)CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000066988559 279202122 /nfs/dbraw/zinc/20/21/22/279202122.db2.gz AXFOZVYSDHXMDE-NSHDSACASA-N 1 0 294.355 1.907 20 5 CDBDRO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@H](C[NH3+])C1 ZINC000235659112 279710380 /nfs/dbraw/zinc/71/03/80/279710380.db2.gz ZHEXXMZDHQQYGK-ONGXEEELSA-N 1 0 295.314 1.933 20 5 CDBDRO C[NH+](C)C1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134960404 279796412 /nfs/dbraw/zinc/79/64/12/279796412.db2.gz AOJFPWVQONISJZ-UHFFFAOYSA-N 1 0 267.260 1.120 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000211376729 280085251 /nfs/dbraw/zinc/08/52/51/280085251.db2.gz OUPJXGQMXCGXPG-YXVBKTCISA-N 1 0 289.335 1.818 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000211379250 280085316 /nfs/dbraw/zinc/08/53/16/280085316.db2.gz VFTGXBZEZCBRBH-WSROAFLRSA-N 1 0 289.335 1.818 20 5 CDBDRO CC[NH2+]CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000211566444 280086523 /nfs/dbraw/zinc/08/65/23/280086523.db2.gz SPPQYNRDLQFCFN-YVMONPNESA-N 1 0 263.297 1.334 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000214045397 280087341 /nfs/dbraw/zinc/08/73/41/280087341.db2.gz VDRMKAIBJBSQRI-FPLPWBNLSA-N 1 0 263.297 1.462 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCOC2)n1 ZINC000447564107 280377373 /nfs/dbraw/zinc/37/73/73/280377373.db2.gz UYUQTDPBFWCABB-FRRDWIJNSA-N 1 0 294.355 1.901 20 5 CDBDRO CCOCC[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000520799540 281052108 /nfs/dbraw/zinc/05/21/08/281052108.db2.gz MVCPEZIXMUTHIU-ZDUSSCGKSA-N 1 0 282.340 1.780 20 5 CDBDRO Cc1nc(N2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000127325852 281935637 /nfs/dbraw/zinc/93/56/37/281935637.db2.gz HULYLOACBARXNH-PSASIEDQSA-N 1 0 250.302 1.472 20 5 CDBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[NH+](C2CCCC2)CC1 ZINC000547754511 289804039 /nfs/dbraw/zinc/80/40/39/289804039.db2.gz BEFZCPXRVQLXFR-UHFFFAOYSA-N 1 0 293.327 1.018 20 5 CDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ncccc2[N+](=O)[O-])C1 ZINC000269088216 290175991 /nfs/dbraw/zinc/17/59/91/290175991.db2.gz ISYXRXXFZGIPMJ-NWDGAFQWSA-N 1 0 276.340 1.910 20 5 CDBDRO CC[C@@H](O)CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000563140913 293287457 /nfs/dbraw/zinc/28/74/57/293287457.db2.gz GSRDBYFNKRXYFX-VXGBXAGGSA-N 1 0 298.339 1.085 20 5 CDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1c([N+](=O)[O-])ncn1C ZINC000568309879 294014799 /nfs/dbraw/zinc/01/47/99/294014799.db2.gz ZEJKOCPRSPOQPP-MNOVXSKESA-N 1 0 279.344 1.391 20 5 CDBDRO COc1cccc(C(=O)N2CCCC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC000568619060 294067869 /nfs/dbraw/zinc/06/78/69/294067869.db2.gz KEMXBFKYCGBTQG-JTQLQIEISA-N 1 0 293.323 1.557 20 5 CDBDRO CC1(C)C[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570676431 294286691 /nfs/dbraw/zinc/28/66/91/294286691.db2.gz PTDASSCLRZGEND-VXGBXAGGSA-N 1 0 294.351 1.970 20 5 CDBDRO CC[C@@H](CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000570682867 294287906 /nfs/dbraw/zinc/28/79/06/294287906.db2.gz CCDQVSNQHARJFQ-JTQLQIEISA-N 1 0 281.312 1.284 20 5 CDBDRO C[N@@H+]1CC[C@H](c2nc(-c3ccc([N+](=O)[O-])o3)no2)C1 ZINC000351139312 316239730 /nfs/dbraw/zinc/23/97/30/316239730.db2.gz AGLBLFHSYZYXAT-ZETCQYMHSA-N 1 0 264.241 1.657 20 5 CDBDRO CC[C@@H]([NH2+]C1CN(C(C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000576838115 317218169 /nfs/dbraw/zinc/21/81/69/317218169.db2.gz OTDHSWCIUNMLQN-CQSZACIVSA-N 1 0 277.324 1.866 20 5 CDBDRO Cc1cccc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000381332887 323625206 /nfs/dbraw/zinc/62/52/06/323625206.db2.gz BXTDTWXPTRPPED-BDAKNGLRSA-N 1 0 251.286 1.369 20 5 CDBDRO COc1cc(C(=O)N[C@@H](C)[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000381527749 323628858 /nfs/dbraw/zinc/62/88/58/323628858.db2.gz ZMWFHRPHEFOJGL-YUMQZZPRSA-N 1 0 267.285 1.069 20 5 CDBDRO [NH3+]CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(F)F ZINC000383451249 323667710 /nfs/dbraw/zinc/66/77/10/323667710.db2.gz MIRQIDOBTVHMPE-RXMQYKEDSA-N 1 0 279.268 1.369 20 5 CDBDRO CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000385495004 323708702 /nfs/dbraw/zinc/70/87/02/323708702.db2.gz POCPPQUBUOIPKX-BQYQJAHWSA-N 1 0 289.335 1.948 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000389846051 323811840 /nfs/dbraw/zinc/81/18/40/323811840.db2.gz QIKJCIBWEWMENI-WVPKPSDHSA-N 1 0 289.335 1.722 20 5 CDBDRO CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000578943569 324059917 /nfs/dbraw/zinc/05/99/17/324059917.db2.gz NTADPMPSESZPQN-CYBMUJFWSA-N 1 0 292.339 1.402 20 5 CDBDRO COc1cccc(C(=O)N[C@H](C)C[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000579244602 324140610 /nfs/dbraw/zinc/14/06/10/324140610.db2.gz OMCHUAVLTZBYIV-DTWKUNHWSA-N 1 0 281.312 1.459 20 5 CDBDRO C[NH2+]CCCn1c(=O)onc1-c1ccc([N+](=O)[O-])cc1 ZINC000583083681 325102789 /nfs/dbraw/zinc/10/27/89/325102789.db2.gz ZXGLDNYTINQYTL-UHFFFAOYSA-N 1 0 278.268 1.021 20 5 CDBDRO COC[C@@](C)(O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000583316039 325150096 /nfs/dbraw/zinc/15/00/96/325150096.db2.gz QMAXINUNRCPAIH-CABCVRRESA-N 1 0 294.351 1.959 20 5 CDBDRO Cc1nn(C)c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000133627259 482835205 /nfs/dbraw/zinc/83/52/05/482835205.db2.gz RXWNYEIDPBRKND-VXGBXAGGSA-N 1 0 293.371 1.557 20 5 CDBDRO O=C(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)NC1CCCCC1 ZINC001168966866 1161996277 /nfs/dbraw/zinc/99/62/77/1161996277.db2.gz LYOMDXBMHFUBLJ-WCQYABFASA-N 1 0 283.372 1.470 20 5 CDBDRO CCN(C)C(=O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926351 520172564 /nfs/dbraw/zinc/17/25/64/520172564.db2.gz DYDWXEUQQBUATM-UHFFFAOYSA-N 1 0 251.286 1.163 20 5 CDBDRO CC[C@@H](C)[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000183092312 522296782 /nfs/dbraw/zinc/29/67/82/522296782.db2.gz XOYJWTISAJOIAA-GHMZBOCLSA-N 1 0 267.329 1.781 20 5 CDBDRO COC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000183484620 522356932 /nfs/dbraw/zinc/35/69/32/522356932.db2.gz PPWCNHFWEGCASW-KGLIPLIRSA-N 1 0 280.324 1.643 20 5 CDBDRO CNc1c(C(=O)NC[C@H]2CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000161444941 522540502 /nfs/dbraw/zinc/54/05/02/522540502.db2.gz FUCRJZNDTAXZFS-SNVBAGLBSA-N 1 0 292.339 1.318 20 5 CDBDRO [NH3+]CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(F)(F)F ZINC000307824111 534647084 /nfs/dbraw/zinc/64/70/84/534647084.db2.gz RXGAIDQEWHMTTC-ZCFIWIBFSA-N 1 0 297.258 1.666 20 5 CDBDRO Cc1ccc(C[NH2+][C@]2(CO)CCOC2)cc1[N+](=O)[O-] ZINC000184191931 524612583 /nfs/dbraw/zinc/61/25/83/524612583.db2.gz OXVXUVUYYDAZCC-ZDUSSCGKSA-N 1 0 266.297 1.144 20 5 CDBDRO C[C@H]([NH3+])CCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000070317330 524830619 /nfs/dbraw/zinc/83/06/19/524830619.db2.gz RGUUPNDARXLEOM-JTQLQIEISA-N 1 0 265.313 1.381 20 5 CDBDRO C[C@@H](Cn1ccnc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000035275177 524961810 /nfs/dbraw/zinc/96/18/10/524961810.db2.gz YGCKMHBSCDZDCE-NSHDSACASA-N 1 0 260.297 1.970 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N[C@H]2CCC[NH2+]C2)c1 ZINC000155923733 525452939 /nfs/dbraw/zinc/45/29/39/525452939.db2.gz ZUSLSAYPUSKXGH-VIFPVBQESA-N 1 0 251.286 1.767 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000184964556 526262680 /nfs/dbraw/zinc/26/26/80/526262680.db2.gz AGEFUQHPIXTOLX-LERXQTSPSA-N 1 0 289.335 1.713 20 5 CDBDRO Cc1nc([N+](=O)[O-])cn1Cc1nc([C@H]([NH3+])CC(C)C)no1 ZINC000339391116 527090577 /nfs/dbraw/zinc/09/05/77/527090577.db2.gz XATWAXSXXLPRLD-SECBINFHSA-N 1 0 294.315 1.577 20 5 CDBDRO Cc1nn(C)c(N[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000049502130 527679155 /nfs/dbraw/zinc/67/91/55/527679155.db2.gz ASVCGTITFHOXBE-JTQLQIEISA-N 1 0 281.360 1.923 20 5 CDBDRO CC(C)C[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304306264 528381066 /nfs/dbraw/zinc/38/10/66/528381066.db2.gz KBGJUPRWLNAJEP-JSGCOSHPSA-N 1 0 296.371 1.663 20 5 CDBDRO CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000269670580 528741860 /nfs/dbraw/zinc/74/18/60/528741860.db2.gz UNQFXWBNDVLIJH-ZDUSSCGKSA-N 1 0 282.340 1.721 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H](C[NH3+])C[C@@H]1C ZINC000261617705 535969607 /nfs/dbraw/zinc/96/96/07/535969607.db2.gz UGGPZADLABUWAP-WPRPVWTQSA-N 1 0 267.333 1.293 20 5 CDBDRO COC[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000261692448 536685614 /nfs/dbraw/zinc/68/56/14/536685614.db2.gz NMCYFLOVQUUVNU-CQSZACIVSA-N 1 0 293.323 1.093 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000269210636 536950319 /nfs/dbraw/zinc/95/03/19/536950319.db2.gz NQFALVLSZNJDTD-JOYOIKCWSA-N 1 0 293.323 1.413 20 5 CDBDRO Cc1cccc(C(=O)N(C)CC2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000094022128 1174458646 /nfs/dbraw/zinc/45/86/46/1174458646.db2.gz CPZRKZYVYDBCAC-UHFFFAOYSA-N 1 0 291.351 1.975 20 5 CDBDRO CN1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000774165665 575186010 /nfs/dbraw/zinc/18/60/10/575186010.db2.gz QOCJQQWBHCOWTE-AVGNSLFASA-N 1 0 293.371 1.569 20 5 CDBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)CO ZINC000750082854 576975147 /nfs/dbraw/zinc/97/51/47/576975147.db2.gz SDHLELUDDAQUIY-LBPRGKRZSA-N 1 0 268.313 1.331 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCNc1ncccn1 ZINC000751506271 577046457 /nfs/dbraw/zinc/04/64/57/577046457.db2.gz LPQYEJOPXVYJCE-UHFFFAOYSA-N 1 0 287.323 1.977 20 5 CDBDRO Cc1ccc(CNC(=O)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000892003963 617401435 /nfs/dbraw/zinc/40/14/35/617401435.db2.gz AJBMJRADIQDXHO-GFCCVEGCSA-N 1 0 292.339 1.454 20 5 CDBDRO CC(C)[NH2+][C@@H]1CCCN(c2c([N+](=O)[O-])cnn2C)C1 ZINC000892179000 617531894 /nfs/dbraw/zinc/53/18/94/617531894.db2.gz JVCNKJNARRSSPP-SNVBAGLBSA-N 1 0 267.333 1.295 20 5 CDBDRO COc1ccc(CN2CC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000934027045 617851629 /nfs/dbraw/zinc/85/16/29/617851629.db2.gz QOZUSUPXOPHIIX-SNVBAGLBSA-N 1 0 252.270 1.170 20 5 CDBDRO CC[NH+](CC)[C@H](C)CNc1c([N+](=O)[O-])cnn1C ZINC000891789101 617591121 /nfs/dbraw/zinc/59/11/21/617591121.db2.gz IISRTDBXIKLHMS-SECBINFHSA-N 1 0 255.322 1.471 20 5 CDBDRO CC[N@H+](CCC(=O)NC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000933867618 617710248 /nfs/dbraw/zinc/71/02/48/617710248.db2.gz QJKRWLWLCBDTGC-UHFFFAOYSA-N 1 0 283.303 1.692 20 5 CDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2c2ccc([N+](=O)[O-])cc2F)C1 ZINC000893934245 618192903 /nfs/dbraw/zinc/19/29/03/618192903.db2.gz GGYZTUAISVYMBH-ZANVPECISA-N 1 0 265.288 1.874 20 5 CDBDRO C[N@H+](CC[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000791051634 618738023 /nfs/dbraw/zinc/73/80/23/618738023.db2.gz HIEQXQPEQJAWQU-UHFFFAOYSA-N 1 0 287.360 1.594 20 5 CDBDRO Cc1nnc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000894773112 619048440 /nfs/dbraw/zinc/04/84/40/619048440.db2.gz CJJSNTMQXIAOGH-SECBINFHSA-N 1 0 275.312 1.915 20 5 CDBDRO C[NH+](C)CC1(O)CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000894955175 619158619 /nfs/dbraw/zinc/15/86/19/619158619.db2.gz IRKIPGGYFSAKGQ-UHFFFAOYSA-N 1 0 285.369 1.549 20 5 CDBDRO O=[N+]([O-])CC[NH2+]Cc1cc(Br)cs1 ZINC000899870021 622495851 /nfs/dbraw/zinc/49/58/51/622495851.db2.gz CIJIBBWKWIGWGC-UHFFFAOYSA-N 1 0 265.132 1.877 20 5 CDBDRO C[C@H]([NH2+][C@H]1COC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903392844 625979546 /nfs/dbraw/zinc/97/95/46/625979546.db2.gz AQWKZBZZTKYEBE-AUTRQRHGSA-N 1 0 265.313 1.863 20 5 CDBDRO CN(C(=O)CC[NH2+]C(C)(C)C)c1ccc([N+](=O)[O-])nc1 ZINC000905022682 626389612 /nfs/dbraw/zinc/38/96/12/626389612.db2.gz DEZXHAXTGGCTMT-UHFFFAOYSA-N 1 0 280.328 1.731 20 5 CDBDRO CC(C)(C)OC(=O)N1CCC(C[NH2+]CC[N+](=O)[O-])CC1 ZINC000905091079 626605508 /nfs/dbraw/zinc/60/55/08/626605508.db2.gz XEMZLXKVXJMDGA-UHFFFAOYSA-N 1 0 287.360 1.500 20 5 CDBDRO COc1ccc(CC[NH2+]CC[N+](=O)[O-])c(OC)c1 ZINC000905072790 626617077 /nfs/dbraw/zinc/61/70/77/626617077.db2.gz SPBLDIQLWOUKAD-UHFFFAOYSA-N 1 0 254.286 1.113 20 5 CDBDRO O=[N+]([O-])CCNC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000905232342 626686594 /nfs/dbraw/zinc/68/65/94/626686594.db2.gz NRDSNJKUALNYDP-OAHLLOKOSA-N 1 0 293.367 1.144 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000905206290 626691901 /nfs/dbraw/zinc/69/19/01/626691901.db2.gz BUVFUXXHHXFVLN-QWHCGFSZSA-N 1 0 268.288 1.912 20 5 CDBDRO [NH3+][C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906516315 627301519 /nfs/dbraw/zinc/30/15/19/627301519.db2.gz CNNQQROGWKRXJZ-KYZUINATSA-N 1 0 255.705 1.828 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000209375911 627455940 /nfs/dbraw/zinc/45/59/40/627455940.db2.gz QWJLKILFTMSOOX-PELKAZGASA-N 1 0 295.726 1.682 20 5 CDBDRO O=C(NC1CC[NH2+]CC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911627831 629372895 /nfs/dbraw/zinc/37/28/95/629372895.db2.gz BHIMQZAIDITONN-KBPBESRZSA-N 1 0 289.335 1.567 20 5 CDBDRO O=[N+]([O-])CC[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000929675053 630706020 /nfs/dbraw/zinc/70/60/20/630706020.db2.gz AUSFNKWABFCPCF-GFCCVEGCSA-N 1 0 252.289 1.967 20 5 CDBDRO CCOc1cnc(NCC2C[NH+](C)C2)c([N+](=O)[O-])c1 ZINC001170252077 1162325338 /nfs/dbraw/zinc/32/53/38/1162325338.db2.gz IFEBLSBQEYHZNX-UHFFFAOYSA-N 1 0 266.301 1.362 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H](C)O)c([N+](=O)[O-])c1 ZINC001170294796 1162328114 /nfs/dbraw/zinc/32/81/14/1162328114.db2.gz RUVRYULYDNLGPF-UWVGGRQHSA-N 1 0 268.313 1.505 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]C2CN(C)C2)c([N+](=O)[O-])c1 ZINC001170309975 1162339758 /nfs/dbraw/zinc/33/97/58/1162339758.db2.gz UXYGKLGUXZHURK-SNVBAGLBSA-N 1 0 279.340 1.438 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170307820 1162339884 /nfs/dbraw/zinc/33/98/84/1162339884.db2.gz IHYQLHDAJWWCMQ-WZRBSPASSA-N 1 0 294.351 1.895 20 5 CDBDRO CCOc1nc(N2C[C@@H](C)[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC001158178501 1162760074 /nfs/dbraw/zinc/76/00/74/1162760074.db2.gz RIMDJIWDBMEVOT-NXEZZACHSA-N 1 0 280.328 1.575 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(-n2ccc([C@@H](C)[NH3+])n2)n1 ZINC001158349991 1162905457 /nfs/dbraw/zinc/90/54/57/1162905457.db2.gz GHUYKXDXMAIRCM-SECBINFHSA-N 1 0 261.285 1.812 20 5 CDBDRO COC(=O)CC1CC(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169000717 1161996687 /nfs/dbraw/zinc/99/66/87/1161996687.db2.gz AKRRGPPIOGLOLT-WTIISPKJSA-N 1 0 284.356 1.611 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2nncs2)C1 ZINC001168999102 1161996716 /nfs/dbraw/zinc/99/67/16/1161996716.db2.gz RYWGNXFVHRNMRV-BDAKNGLRSA-N 1 0 256.331 1.116 20 5 CDBDRO Cc1cnc(C[NH3+])n1-c1ccc(N(C)C)cc1[N+](=O)[O-] ZINC001169029483 1161997899 /nfs/dbraw/zinc/99/78/99/1161997899.db2.gz RSDICQYAQMVULK-UHFFFAOYSA-N 1 0 275.312 1.614 20 5 CDBDRO C[C@@H]([NH3+])CCNc1ccc2nsnc2c1[N+](=O)[O-] ZINC001170890516 1164191283 /nfs/dbraw/zinc/19/12/83/1164191283.db2.gz AZYUGEXVAATVAB-ZCFIWIBFSA-N 1 0 267.314 1.749 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC23CC[NH2+]CC3)c1 ZINC001574441395 1170984218 /nfs/dbraw/zinc/98/42/18/1170984218.db2.gz WSSWFVSCLRNVLW-AWEZNQCLSA-N 1 0 291.351 1.456 20 5 CDBDRO CC[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])c(OCC)c1 ZINC001577834105 1171752820 /nfs/dbraw/zinc/75/28/20/1171752820.db2.gz NHSRWYYKHUCNLZ-UHFFFAOYSA-N 1 0 267.285 1.542 20 5 CDBDRO CN(C[C@@H]1CC[NH2+]1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001578456621 1171921884 /nfs/dbraw/zinc/92/18/84/1171921884.db2.gz RCLSERHVVCTHDG-QMMMGPOBSA-N 1 0 261.285 1.269 20 5 CDBDRO C[C@H](NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001579480291 1172194257 /nfs/dbraw/zinc/19/42/57/1172194257.db2.gz HLKSCCISTVBDMR-OPQQBVKSSA-N 1 0 295.314 1.720 20 5 CDBDRO [NH3+]CC1(C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC001580240449 1172382487 /nfs/dbraw/zinc/38/24/87/1172382487.db2.gz PMUZAPPAGZXSSL-UHFFFAOYSA-N 1 0 286.291 1.820 20 5 CDBDRO CC(C)([NH3+])CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000405887598 1186579998 /nfs/dbraw/zinc/57/99/98/1186579998.db2.gz KPSKKDXGUFFENZ-UHFFFAOYSA-N 1 0 269.276 1.591 20 5 CDBDRO CN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])c(N)n1 ZINC000167826650 721934595 /nfs/dbraw/zinc/93/45/95/721934595.db2.gz MSZXNKMNPOBDMO-UHFFFAOYSA-N 1 0 279.344 1.350 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CO)CC(F)F)c1 ZINC000843112521 742850859 /nfs/dbraw/zinc/85/08/59/742850859.db2.gz YVGXNIAXHPAAKF-GXSJLCMTSA-N 1 0 290.266 1.234 20 5 CDBDRO COC(=O)[C@@H]1C[N@H+](CC[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000930860232 742840826 /nfs/dbraw/zinc/84/08/26/742840826.db2.gz YJNXOXQNNCPSSF-QWHCGFSZSA-N 1 0 278.308 1.152 20 5 CDBDRO CCN(CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000819011959 742858891 /nfs/dbraw/zinc/85/88/91/742858891.db2.gz BZFXEPMNBNUAQO-OAHLLOKOSA-N 1 0 293.367 1.702 20 5 CDBDRO C[C@@H]([NH2+]CCc1ccnn1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815616169 742880642 /nfs/dbraw/zinc/88/06/42/742880642.db2.gz HXZKKIDHMPFTCY-SNVBAGLBSA-N 1 0 289.339 1.804 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879693422 742890079 /nfs/dbraw/zinc/89/00/79/742890079.db2.gz CMFITBVRBLAGKG-SDDRHHMPSA-N 1 0 280.324 1.188 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NOCC[NH+](C)C ZINC000817609369 743015160 /nfs/dbraw/zinc/01/51/60/743015160.db2.gz VASGLNKDKGYWPQ-UHFFFAOYSA-N 1 0 281.312 1.435 20 5 CDBDRO CC[NH+](CC)CCCn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1 ZINC000794430336 743309702 /nfs/dbraw/zinc/30/97/02/743309702.db2.gz CNQIRTRRXGGYRY-UHFFFAOYSA-N 1 0 298.299 1.397 20 5 CDBDRO CC1(C)OCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CO1 ZINC000819226734 743365081 /nfs/dbraw/zinc/36/50/81/743365081.db2.gz WKHLMDGNCPGFTG-CYBMUJFWSA-N 1 0 296.323 1.369 20 5 CDBDRO O=C(NC[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1)c1ccccc1 ZINC000929790049 743391911 /nfs/dbraw/zinc/39/19/11/743391911.db2.gz RLYUXQCYGFUTEN-ZDUSSCGKSA-N 1 0 291.351 1.405 20 5 CDBDRO O=[N+]([O-])c1cc([N+](=O)[O-])n(CC[NH+]2CCCCC2)n1 ZINC000829847514 743462829 /nfs/dbraw/zinc/46/28/29/743462829.db2.gz IVLKWGJVOLWQIB-UHFFFAOYSA-N 1 0 269.261 1.185 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCCO)CC2)cc1 ZINC000786942087 743488590 /nfs/dbraw/zinc/48/85/90/743488590.db2.gz UAOUIZNTDMRUAF-UHFFFAOYSA-N 1 0 293.367 1.926 20 5 CDBDRO O=[N+]([O-])c1ccccc1N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261717205 743590927 /nfs/dbraw/zinc/59/09/27/743590927.db2.gz JWWJLOYVARGEPX-GFCCVEGCSA-N 1 0 276.340 1.079 20 5 CDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H](CF)C2)c([N+](=O)[O-])c1 ZINC000880297207 745011158 /nfs/dbraw/zinc/01/11/58/745011158.db2.gz KPTYUCVYHIDZMC-SECBINFHSA-N 1 0 281.287 1.485 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702055873 745073244 /nfs/dbraw/zinc/07/32/44/745073244.db2.gz NXRPHWKKPVNIGA-SECBINFHSA-N 1 0 283.715 1.730 20 5 CDBDRO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000931655240 745081801 /nfs/dbraw/zinc/08/18/01/745081801.db2.gz OWLLWGOIWJHOSK-LLVKDONJSA-N 1 0 281.287 1.348 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2cc[nH]n2)c1 ZINC000818957663 745227004 /nfs/dbraw/zinc/22/70/04/745227004.db2.gz YDOOOKCTCQFMQR-LBPRGKRZSA-N 1 0 262.269 1.141 20 5 CDBDRO C[N@H+](CCCF)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000887141273 745360924 /nfs/dbraw/zinc/36/09/24/745360924.db2.gz MFTCDHFTKLADDK-CYBMUJFWSA-N 1 0 295.314 1.992 20 5 CDBDRO Nc1ccc(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000818014988 745389862 /nfs/dbraw/zinc/38/98/62/745389862.db2.gz HJDIKCPYFRZDOZ-CQSZACIVSA-N 1 0 290.323 1.145 20 5 CDBDRO C[C@]1(O)CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776598032 745415343 /nfs/dbraw/zinc/41/53/43/745415343.db2.gz OMYVVPIDNGHMJR-KBPBESRZSA-N 1 0 280.324 1.475 20 5 CDBDRO COc1cc(NC[C@@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC000134268638 745465415 /nfs/dbraw/zinc/46/54/15/745465415.db2.gz FTWXOUUZPLWTSQ-JTQLQIEISA-N 1 0 267.285 1.004 20 5 CDBDRO C[NH+](C)CCCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000864416359 745472710 /nfs/dbraw/zinc/47/27/10/745472710.db2.gz RZVRTGUCHQQKPB-UHFFFAOYSA-N 1 0 283.303 1.344 20 5 CDBDRO CCCC[N@H+](C)CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000112310100 745480885 /nfs/dbraw/zinc/48/08/85/745480885.db2.gz GEVOFOOUXQDWKZ-UHFFFAOYSA-N 1 0 294.355 1.639 20 5 CDBDRO C[C@@]1(c2nc(Cc3ccccc3[N+](=O)[O-])no2)CC[NH2+]C1 ZINC000843170628 745516041 /nfs/dbraw/zinc/51/60/41/745516041.db2.gz IGXVPBBRBJYZQQ-CQSZACIVSA-N 1 0 288.307 1.820 20 5 CDBDRO O=C(CO[C@@H]1CCC[NH2+]C1)Nc1cccc([N+](=O)[O-])c1 ZINC000843357496 745521376 /nfs/dbraw/zinc/52/13/76/745521376.db2.gz NTRYPXKDQBKPDX-GFCCVEGCSA-N 1 0 279.296 1.302 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCOC[C@H]1O ZINC000866396884 745573474 /nfs/dbraw/zinc/57/34/74/745573474.db2.gz BVPZYQMFIMWSGQ-GAJTVXKRSA-N 1 0 298.314 1.404 20 5 CDBDRO O=C(NC1CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000036285586 745656987 /nfs/dbraw/zinc/65/69/87/745656987.db2.gz ARPFOMNTGJHVRO-UHFFFAOYSA-N 1 0 283.715 1.730 20 5 CDBDRO CC[C@@H]([NH3+])c1cn(Cc2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000714048379 745664831 /nfs/dbraw/zinc/66/48/31/745664831.db2.gz JIADAFAYPXQUKX-LLVKDONJSA-N 1 0 275.312 1.953 20 5 CDBDRO Cc1c(CC(=O)NC[C@H]2C[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000870971901 745681758 /nfs/dbraw/zinc/68/17/58/745681758.db2.gz ZCHZMDRATFUACK-UMSPYCQHSA-N 1 0 277.324 1.299 20 5 CDBDRO Cc1nn(C)c(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1Cl ZINC000921861176 745753416 /nfs/dbraw/zinc/75/34/16/745753416.db2.gz FUQHDKHEYABAQG-UHFFFAOYSA-N 1 0 298.734 1.276 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]([NH3+])CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000312443675 745759057 /nfs/dbraw/zinc/75/90/57/745759057.db2.gz WCJSFNZHEXTVIQ-RNCFNFMXSA-N 1 0 277.324 1.899 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(CO)COC1 ZINC000866309545 745767572 /nfs/dbraw/zinc/76/75/72/745767572.db2.gz PXSBEBLOSKZGMA-SNVBAGLBSA-N 1 0 298.314 1.263 20 5 CDBDRO O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063493 745807938 /nfs/dbraw/zinc/80/79/38/745807938.db2.gz CLQUFNDHURRTRW-YVECIDJPSA-N 1 0 281.356 1.079 20 5 CDBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000791052040 745859065 /nfs/dbraw/zinc/85/90/65/745859065.db2.gz KGKBGNRTUGMSEK-UONOGXRCSA-N 1 0 269.389 1.850 20 5 CDBDRO C[C@@H](C[N@@H+](CC[N+](=O)[O-])[C@@H](C)CO)c1ccccc1 ZINC000930489411 746000013 /nfs/dbraw/zinc/00/00/13/746000013.db2.gz XQFRZCGUTORTEY-STQMWFEESA-N 1 0 266.341 1.750 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000850722583 746042037 /nfs/dbraw/zinc/04/20/37/746042037.db2.gz MSACRLBKBSUHGW-ZETCQYMHSA-N 1 0 286.719 1.978 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000886832327 746077004 /nfs/dbraw/zinc/07/70/04/746077004.db2.gz GMDSDXXTNGSLFE-ZDUSSCGKSA-N 1 0 262.313 1.175 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818014970 746098585 /nfs/dbraw/zinc/09/85/85/746098585.db2.gz GLDDGUUNOXUEOE-AWEZNQCLSA-N 1 0 275.308 1.563 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000053254298 746145595 /nfs/dbraw/zinc/14/55/95/746145595.db2.gz VPDPJJLUEYZYKQ-JTQLQIEISA-N 1 0 264.285 1.468 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923330291 746387558 /nfs/dbraw/zinc/38/75/58/746387558.db2.gz BOYQKPOOMFZVHP-JKOKRWQUSA-N 1 0 279.340 1.297 20 5 CDBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000854497264 746420600 /nfs/dbraw/zinc/42/06/00/746420600.db2.gz LVNARYXBSLWIFX-NXEZZACHSA-N 1 0 292.339 1.988 20 5 CDBDRO C[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000886840126 746492753 /nfs/dbraw/zinc/49/27/53/746492753.db2.gz UDAGYMLULVZYCF-ZYHUDNBSSA-N 1 0 264.329 1.407 20 5 CDBDRO CC(C)(CO)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000809816136 746513472 /nfs/dbraw/zinc/51/34/72/746513472.db2.gz CUXZTTPBBIMDQR-UHFFFAOYSA-N 1 0 282.296 1.322 20 5 CDBDRO CCOC[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886030556 746679288 /nfs/dbraw/zinc/67/92/88/746679288.db2.gz NJVVTNQOKPLGBD-NSHDSACASA-N 1 0 265.313 1.848 20 5 CDBDRO C[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]1CCCCC1 ZINC000822663218 746776769 /nfs/dbraw/zinc/77/67/69/746776769.db2.gz OJUSQAMSHYKJTJ-GFCCVEGCSA-N 1 0 285.388 1.813 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1c1ccc([N+](=O)[O-])cc1F ZINC000842296048 746816818 /nfs/dbraw/zinc/81/68/18/746816818.db2.gz PWTPQRBYIHCYEX-WPRPVWTQSA-N 1 0 271.267 1.870 20 5 CDBDRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCOC1 ZINC000788753030 746869835 /nfs/dbraw/zinc/86/98/35/746869835.db2.gz YRFMDGDOFSUYFC-IINYFYTJSA-N 1 0 295.339 1.633 20 5 CDBDRO CCOCCOCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000922942799 747071646 /nfs/dbraw/zinc/07/16/46/747071646.db2.gz ZVWXLRJGUITHAA-UHFFFAOYSA-N 1 0 268.313 1.738 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)C(F)(F)F)c1 ZINC000843062391 747087774 /nfs/dbraw/zinc/08/77/74/747087774.db2.gz IGGXSHQTYSSAEI-NXEZZACHSA-N 1 0 294.229 1.141 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823968726 747139211 /nfs/dbraw/zinc/13/92/11/747139211.db2.gz ZGDSCDMOXOGHAG-UHFFFAOYSA-N 1 0 293.327 1.346 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)N(C)C ZINC000866347678 747429823 /nfs/dbraw/zinc/42/98/23/747429823.db2.gz VXKDTZKCRJONKO-UWVGGRQHSA-N 1 0 297.330 1.731 20 5 CDBDRO C[C@@H]1CCC[C@H]1[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877831950 747553461 /nfs/dbraw/zinc/55/34/61/747553461.db2.gz CRFXVBDNGXKEKV-JUDXGUMMSA-N 1 0 294.351 1.767 20 5 CDBDRO COC(=O)[C@H]1CCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581603 747646605 /nfs/dbraw/zinc/64/66/05/747646605.db2.gz FJVORYQEQIPYCG-OLZOCXBDSA-N 1 0 294.307 1.266 20 5 CDBDRO CC(C)C[NH+]1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000097506408 747694300 /nfs/dbraw/zinc/69/43/00/747694300.db2.gz AZOLVKPPNWLHEG-UHFFFAOYSA-N 1 0 267.333 1.022 20 5 CDBDRO CCOc1cccc(N2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000135049798 747852063 /nfs/dbraw/zinc/85/20/63/747852063.db2.gz IUOIORGOLPUHLV-JTQLQIEISA-N 1 0 265.313 1.921 20 5 CDBDRO CC(C)[C@@H]1C[NH2+]CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923398961 747885491 /nfs/dbraw/zinc/88/54/91/747885491.db2.gz MVXAEXWZFKUDLQ-GJZGRUSLSA-N 1 0 293.367 1.558 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886253601 747919335 /nfs/dbraw/zinc/91/93/35/747919335.db2.gz BFSZCIHEOMCKEM-CCGJUOAVSA-N 1 0 292.335 1.472 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1COCCO1 ZINC000866237825 748097929 /nfs/dbraw/zinc/09/79/29/748097929.db2.gz HWMKKOPGEQTFHX-GWCFXTLKSA-N 1 0 298.314 1.670 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090321701 748154490 /nfs/dbraw/zinc/15/44/90/748154490.db2.gz RMSYGQYSFTWKJB-DTORHVGOSA-N 1 0 295.726 1.540 20 5 CDBDRO COCC1=CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886143076 748183346 /nfs/dbraw/zinc/18/33/46/748183346.db2.gz SFMYRYMLJWDSHO-UHFFFAOYSA-N 1 0 263.297 1.768 20 5 CDBDRO CC[N@H+](CCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000819059944 748507079 /nfs/dbraw/zinc/50/70/79/748507079.db2.gz JFFYOBNXELCZHI-OAHLLOKOSA-N 1 0 295.383 1.948 20 5 CDBDRO [NH3+][C@H](CC1CC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000884064436 748547519 /nfs/dbraw/zinc/54/75/19/748547519.db2.gz IAEOKQIDINQQBD-GFCCVEGCSA-N 1 0 275.308 1.611 20 5 CDBDRO CCC[C@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)CC[NH2+]1 ZINC000895056673 748563431 /nfs/dbraw/zinc/56/34/31/748563431.db2.gz BYXBGKLOTRQREV-NSHDSACASA-N 1 0 264.329 1.877 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CCNC1=O ZINC000886743093 748592196 /nfs/dbraw/zinc/59/21/96/748592196.db2.gz SWAMJRNRWWIDLK-LLVKDONJSA-N 1 0 292.339 1.579 20 5 CDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000928566037 748696824 /nfs/dbraw/zinc/69/68/24/748696824.db2.gz DCFGBTNUKDMKBQ-SNVBAGLBSA-N 1 0 288.307 1.510 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2cn[nH]c2)c1 ZINC000819386843 748956918 /nfs/dbraw/zinc/95/69/18/748956918.db2.gz DTNXTQKCROLYGS-ZDUSSCGKSA-N 1 0 276.296 1.184 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000104261396 749041560 /nfs/dbraw/zinc/04/15/60/749041560.db2.gz PANOHOGHQQOEEG-JECSTDCCSA-N 1 0 275.308 1.558 20 5 CDBDRO CC(C)(CCc1noc(CCCCC[NH3+])n1)[N+](=O)[O-] ZINC000823233464 749092984 /nfs/dbraw/zinc/09/29/84/749092984.db2.gz AAUREBNSVGIEDS-UHFFFAOYSA-N 1 0 270.333 1.729 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@H](C)[NH3+] ZINC000859613700 749265992 /nfs/dbraw/zinc/26/59/92/749265992.db2.gz OKDHHDUVXFHXAX-QMMMGPOBSA-N 1 0 282.300 1.414 20 5 CDBDRO O=[N+]([O-])c1cc(OCC2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC001574441435 1167637338 /nfs/dbraw/zinc/63/73/38/1167637338.db2.gz XIUVGQNHNIHPNW-UHFFFAOYSA-N 1 0 281.268 1.881 20 5 CDBDRO COC(=O)[C@@H]1C[C@@H]1C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220831 912305232 /nfs/dbraw/zinc/30/52/32/912305232.db2.gz HEWBFVQULGYANU-MPKXVKKWSA-N 1 0 292.335 1.925 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001173221024 912307151 /nfs/dbraw/zinc/30/71/51/912307151.db2.gz FJGRNXVWHYRZER-UXIGCNINSA-N 1 0 294.351 1.201 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)CF ZINC001173228918 912319998 /nfs/dbraw/zinc/31/99/98/912319998.db2.gz LHEFRTJONCDLJB-SKDRFNHKSA-N 1 0 256.277 1.446 20 5 CDBDRO CN(CC1CC[NH2+]CC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000094021872 912326193 /nfs/dbraw/zinc/32/61/93/912326193.db2.gz COHMPXNSEJUVTJ-UHFFFAOYSA-N 1 0 291.351 1.595 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1COC(=O)C1 ZINC001173234316 912328533 /nfs/dbraw/zinc/32/85/33/912328533.db2.gz OEKWWJAELCPSEC-KOLCDFICSA-N 1 0 264.281 1.431 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)N1CCCC1 ZINC001173213689 912337324 /nfs/dbraw/zinc/33/73/24/912337324.db2.gz JWHDMYQBZQLSCA-GFCCVEGCSA-N 1 0 291.351 1.738 20 5 CDBDRO O=[N+]([O-])c1ccnc(-n2ccnc2[C@@H]2CCC[NH2+]C2)c1 ZINC001167056179 894066984 /nfs/dbraw/zinc/06/69/84/894066984.db2.gz ORJINHMALNMITF-SNVBAGLBSA-N 1 0 273.296 1.643 20 5 CDBDRO COc1cccc(-n2c(C)ncc(C[NH3+])c2=N)c1[N+](=O)[O-] ZINC001167674155 897649165 /nfs/dbraw/zinc/64/91/65/897649165.db2.gz MBZIVUHRZYBEJN-UHFFFAOYSA-N 1 0 289.295 1.036 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@@H](C)C[N+](C)(C)C ZINC001225450458 902747257 /nfs/dbraw/zinc/74/72/57/902747257.db2.gz IQYGBGQHVYMMAC-JTQLQIEISA-N 1 0 297.331 1.855 20 5 CDBDRO O=c1ccc(CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)c[nH]1 ZINC001168303093 908943403 /nfs/dbraw/zinc/94/34/03/908943403.db2.gz HMEAZIXDWWMYKA-UHFFFAOYSA-N 1 0 286.291 1.911 20 5 CDBDRO Cc1cccc(CN2CC[C@@H]([NH2+]CC[N+](=O)[O-])C2)c1 ZINC001120524501 912039675 /nfs/dbraw/zinc/03/96/75/912039675.db2.gz KSUGTGYVFOINFJ-CQSZACIVSA-N 1 0 263.341 1.436 20 5 CDBDRO O=[N+]([O-])CC[NH2+]Cc1ccnc(N2CCCCCC2)c1 ZINC001120562948 912108426 /nfs/dbraw/zinc/10/84/26/912108426.db2.gz IXFAPHHILYQATI-UHFFFAOYSA-N 1 0 278.356 1.828 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC001117687910 921981191 /nfs/dbraw/zinc/98/11/91/921981191.db2.gz RALZWTKTEKMYDT-MNOVXSKESA-N 1 0 276.340 1.757 20 5 CDBDRO Nc1ccnc(N[C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001162395067 922491001 /nfs/dbraw/zinc/49/10/01/922491001.db2.gz BRPNOIZFVGGREL-YUMQZZPRSA-N 1 0 251.290 1.254 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001154977972 926267547 /nfs/dbraw/zinc/26/75/47/926267547.db2.gz PMUKKVQHMDCHMW-JGVFFNPUSA-N 1 0 281.272 1.580 20 5 CDBDRO [NH3+][C@H]1CCN(c2cnc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001156228958 927494343 /nfs/dbraw/zinc/49/43/43/927494343.db2.gz QSZUCJHEDAGLKS-QMMMGPOBSA-N 1 0 259.269 1.075 20 5 CDBDRO [NH3+]CCN(c1ccccn1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977680 927563713 /nfs/dbraw/zinc/56/37/13/927563713.db2.gz LFCLKYDZFOGFQT-NWDGAFQWSA-N 1 0 264.329 1.292 20 5 CDBDRO C[C@H](Cc1cnccn1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168977851 927565220 /nfs/dbraw/zinc/56/52/20/927565220.db2.gz MYMAYGRPXLEXEW-IJLUTSLNSA-N 1 0 264.329 1.443 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CC23CCOCC3)C1 ZINC001168979209 927565954 /nfs/dbraw/zinc/56/59/54/927565954.db2.gz XENRHACDAXJERR-GRYCIOLGSA-N 1 0 254.330 1.591 20 5 CDBDRO Cc1nccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168978654 927565997 /nfs/dbraw/zinc/56/59/97/927565997.db2.gz UANCQUJVDFVHFY-MNOVXSKESA-N 1 0 250.302 1.320 20 5 CDBDRO Cc1nccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168978655 927566455 /nfs/dbraw/zinc/56/64/55/927566455.db2.gz UANCQUJVDFVHFY-QWRGUYRKSA-N 1 0 250.302 1.320 20 5 CDBDRO CC(=O)N1CCC(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168979207 927566670 /nfs/dbraw/zinc/56/66/70/927566670.db2.gz XEABDACXLYLOLA-UONOGXRCSA-N 1 0 283.372 1.280 20 5 CDBDRO COc1ccc(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)nc1 ZINC001168984649 927573291 /nfs/dbraw/zinc/57/32/91/927573291.db2.gz PKPGIXJRLPZXSH-YPMHNXCESA-N 1 0 279.340 1.668 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](O)C2)C1 ZINC001168985552 927575201 /nfs/dbraw/zinc/57/52/01/927575201.db2.gz STXLUGFDKNILNS-QNWHQSFQSA-N 1 0 256.346 1.573 20 5 CDBDRO N=c1sc2c(n1[C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC[C@H]([NH3+])C2 ZINC001168965512 927588587 /nfs/dbraw/zinc/58/85/87/927588587.db2.gz AFPAEFWPEDHABU-UTLUCORTSA-N 1 0 296.396 1.463 20 5 CDBDRO COc1ccnc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168969785 927591675 /nfs/dbraw/zinc/59/16/75/927591675.db2.gz FIONMVKQYCECEH-QWRGUYRKSA-N 1 0 265.313 1.625 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2(F)CCOCC2)C1 ZINC001168969084 927591783 /nfs/dbraw/zinc/59/17/83/927591783.db2.gz BYONNBVLWHTWHJ-MNOVXSKESA-N 1 0 260.309 1.540 20 5 CDBDRO CC(C)Oc1nccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168994566 927601349 /nfs/dbraw/zinc/60/13/49/927601349.db2.gz PUQHJKLRSZNKAU-RYUDHWBXSA-N 1 0 294.355 1.799 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccnn2CCF)C1 ZINC001168997797 927603159 /nfs/dbraw/zinc/60/31/59/927603159.db2.gz FZYNPBWTBANJTK-QWRGUYRKSA-N 1 0 270.308 1.388 20 5 CDBDRO [NH3+]C[C@@H]1Cc2ccccc2CN1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169001061 927605703 /nfs/dbraw/zinc/60/57/03/927605703.db2.gz CQYRCZVEONCGBT-WQVCFCJDSA-N 1 0 289.379 1.817 20 5 CDBDRO CN1CCC[C@](C)([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169006768 927612378 /nfs/dbraw/zinc/61/23/78/927612378.db2.gz YVXWUZDVENAVCR-XQQFMLRXSA-N 1 0 255.362 1.506 20 5 CDBDRO COC(=O)[C@H]1CCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169010334 927614507 /nfs/dbraw/zinc/61/45/07/927614507.db2.gz CUBVCLZXQSELHT-OUAUKWLOSA-N 1 0 256.302 1.069 20 5 CDBDRO COC[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011940 927616408 /nfs/dbraw/zinc/61/64/08/927616408.db2.gz NUTKESCHIWKQJE-AVGNSLFASA-N 1 0 256.346 1.933 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@](CO)(C(F)(F)F)C2)C1 ZINC001169013814 927620364 /nfs/dbraw/zinc/62/03/64/927620364.db2.gz WNGPAPGEACYJSZ-MXWKQRLJSA-N 1 0 296.289 1.679 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(CC(F)(F)F)CC2)C1 ZINC001169033843 927641815 /nfs/dbraw/zinc/64/18/15/927641815.db2.gz DJGPIZLMISIIPD-WDEREUQCSA-N 1 0 295.305 1.612 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(N3CC(F)C3)CC2)C1 ZINC001169036005 927644842 /nfs/dbraw/zinc/64/48/42/927644842.db2.gz MMCDYDQDUACYFI-SMDDNHRTSA-N 1 0 285.363 1.550 20 5 CDBDRO Cn1cnc2c1CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169039226 927650404 /nfs/dbraw/zinc/65/04/04/927650404.db2.gz OGPXDPPJDGSAQD-QWRGUYRKSA-N 1 0 264.329 1.224 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H](N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001169038608 927651055 /nfs/dbraw/zinc/65/10/55/927651055.db2.gz JGDRMUSJRLIXKV-MJBXVCDLSA-N 1 0 267.373 1.602 20 5 CDBDRO CC(C)[C@H]1COCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169041632 927653707 /nfs/dbraw/zinc/65/37/07/927653707.db2.gz BSDNSWHOFIBNET-JHJVBQTASA-N 1 0 256.346 1.789 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC001169022467 927662726 /nfs/dbraw/zinc/66/27/26/927662726.db2.gz BYBCTUAZRMQWAD-HZSPNIEDSA-N 1 0 267.373 1.602 20 5 CDBDRO C[C@@H]([NH3+])c1ccn(-c2c(Cl)nccc2[N+](=O)[O-])n1 ZINC001169230836 927837124 /nfs/dbraw/zinc/83/71/24/927837124.db2.gz WLHZHURGLGJHPW-ZCFIWIBFSA-N 1 0 267.676 1.849 20 5 CDBDRO [NH3+]CCc1cn(-c2ncccc2[N+](=O)[O-])c2cccnc12 ZINC001169708543 928362604 /nfs/dbraw/zinc/36/26/04/928362604.db2.gz JUVDYAROUXAGJD-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO O=[N+]([O-])c1ncccc1NCC12CC[NH+](CC1)CC2 ZINC001169797130 928422122 /nfs/dbraw/zinc/42/21/22/928422122.db2.gz ZMNPNRHXHWRCHW-UHFFFAOYSA-N 1 0 262.313 1.888 20 5 CDBDRO C[N@H+]1CC=C(CNC(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001152417107 937361416 /nfs/dbraw/zinc/36/14/16/937361416.db2.gz SOSPBAHSAMMLFS-UHFFFAOYSA-N 1 0 290.323 1.169 20 5 CDBDRO [NH3+]Cc1cn(-c2ccc3[nH]cc([N+](=O)[O-])c3n2)cn1 ZINC001154908663 937602625 /nfs/dbraw/zinc/60/26/25/937602625.db2.gz CQWPHKUAPJKZNM-UHFFFAOYSA-N 1 0 258.241 1.116 20 5 CDBDRO COc1ccc(NC[C@H]2CCCC[NH2+]2)nc1[N+](=O)[O-] ZINC001171329085 932688435 /nfs/dbraw/zinc/68/84/35/932688435.db2.gz UTABQWZTINAAQN-SECBINFHSA-N 1 0 266.301 1.552 20 5 CDBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1ccc([N+](=O)[O-])c(N)n1 ZINC001155254393 937653749 /nfs/dbraw/zinc/65/37/49/937653749.db2.gz JJOOWSANVSLMLN-MRVPVSSYSA-N 1 0 298.306 1.931 20 5 CDBDRO C[C@@]([NH3+])(C(=O)N[C@H]1C=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC001119056439 937692149 /nfs/dbraw/zinc/69/21/49/937692149.db2.gz QSAPRZYZLFYWBP-WFASDCNBSA-N 1 0 289.335 1.994 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001119439118 937719825 /nfs/dbraw/zinc/71/98/25/937719825.db2.gz NPQTTWVLUAFILV-JTQLQIEISA-N 1 0 294.355 1.866 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2CC=CC2)c1 ZINC001120560525 937810402 /nfs/dbraw/zinc/81/04/02/937810402.db2.gz FFQVKJFDAYICKB-CYBMUJFWSA-N 1 0 278.308 1.643 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001120561903 937810418 /nfs/dbraw/zinc/81/04/18/937810418.db2.gz YNAKMWQEXLRRNA-PWSUYJOCSA-N 1 0 292.339 1.659 20 5 CDBDRO C[C@@H](O)[C@H](C)[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC001120559252 937810426 /nfs/dbraw/zinc/81/04/26/937810426.db2.gz PRFHKWFZRGXJPB-VHSXEESVSA-N 1 0 253.302 1.366 20 5 CDBDRO C[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001122252121 937915719 /nfs/dbraw/zinc/91/57/19/937915719.db2.gz KQJVBJLJWLSGKA-ZYHUDNBSSA-N 1 0 277.324 1.914 20 5 CDBDRO CC(C)(F)C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001122509869 937938344 /nfs/dbraw/zinc/93/83/44/937938344.db2.gz AOSRYKUZUIJRFS-UHFFFAOYSA-N 1 0 283.303 1.549 20 5 CDBDRO COC(=O)c1ccnc(N(CCC[NH3+])C(C)C)c1[N+](=O)[O-] ZINC001156118021 938321576 /nfs/dbraw/zinc/32/15/76/938321576.db2.gz NJFGXGQIGBVQHV-UHFFFAOYSA-N 1 0 296.327 1.340 20 5 CDBDRO Cc1nc(N2CCCC[C@]23CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001157476132 938499142 /nfs/dbraw/zinc/49/91/42/938499142.db2.gz SFRBNCCTYBMCDP-CQSZACIVSA-N 1 0 291.355 1.806 20 5 CDBDRO Cc1cc(-n2ccnc2C(N)=[NH2+])nc2ccc([N+](=O)[O-])cc12 ZINC001157621493 938521281 /nfs/dbraw/zinc/52/12/81/938521281.db2.gz PFMAGHYOPMXDIV-UHFFFAOYSA-N 1 0 296.290 1.921 20 5 CDBDRO CCC[NH+]1C[C@@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])C[C@H]2C1 ZINC001157691861 938533004 /nfs/dbraw/zinc/53/30/04/938533004.db2.gz ZXOMUUUDEKSNFO-VXGBXAGGSA-N 1 0 292.339 1.006 20 5 CDBDRO O=C(NCCC[NH2+]Cc1ccccc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157760345 938541788 /nfs/dbraw/zinc/54/17/88/938541788.db2.gz DAZZDWARDQHJQE-DGCLKSJQSA-N 1 0 295.314 1.087 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@](F)(C[NH3+])C1 ZINC001157808395 938548965 /nfs/dbraw/zinc/54/89/65/938548965.db2.gz FXCKUNWFCWMRQU-NSHDSACASA-N 1 0 254.265 1.175 20 5 CDBDRO C[C@@H]1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)C[C@@H](C)[NH2+]1 ZINC001158175128 938591165 /nfs/dbraw/zinc/59/11/65/938591165.db2.gz CUSPTHXVXKZBFK-NXEZZACHSA-N 1 0 287.323 1.725 20 5 CDBDRO CCN(c1ccc([N+](=O)[O-])c(OC)n1)[C@H]1CCC[NH2+]C1 ZINC001158199841 938594157 /nfs/dbraw/zinc/59/41/57/938594157.db2.gz GOKYKDRKOKEVCA-JTQLQIEISA-N 1 0 280.328 1.577 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1NCC[C@H]1CCC[NH2+]1 ZINC001158627648 938643676 /nfs/dbraw/zinc/64/36/76/938643676.db2.gz XHWMCVNVLCOIDE-MRVPVSSYSA-N 1 0 251.290 1.126 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC([N@@H+](C)[C@H]2CCOC2)C1 ZINC001158727380 938657310 /nfs/dbraw/zinc/65/73/10/938657310.db2.gz YMPITDPWWPYDDH-NSHDSACASA-N 1 0 292.339 1.208 20 5 CDBDRO C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001159488347 938731676 /nfs/dbraw/zinc/73/16/76/938731676.db2.gz CIUMYIWSUTWJNP-XCBNKYQSSA-N 1 0 286.719 1.432 20 5 CDBDRO C[C@@H](Nc1nccc(Cl)c1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001159489735 938732038 /nfs/dbraw/zinc/73/20/38/938732038.db2.gz RBDKFCQRVUIMCN-VXNVDRBHSA-N 1 0 286.719 1.432 20 5 CDBDRO O=[N+]([O-])c1cccc2nc(N[C@H]3C[NH2+]C[C@@H]3CO)ccc21 ZINC001159678867 938744608 /nfs/dbraw/zinc/74/46/08/938744608.db2.gz RIBQLQFWJZKFFJ-SKDRFNHKSA-N 1 0 288.307 1.135 20 5 CDBDRO C[N@@H+]1CCC[C@@](C)(Nc2ncc([N+](=O)[O-])cc2N)C1 ZINC001162336599 939027566 /nfs/dbraw/zinc/02/75/66/939027566.db2.gz FHFMQWNPSGQCGE-GFCCVEGCSA-N 1 0 265.317 1.468 20 5 CDBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001162456094 939059331 /nfs/dbraw/zinc/05/93/31/939059331.db2.gz GCLJEXCHATZWIH-WDEREUQCSA-N 1 0 294.355 1.341 20 5 CDBDRO Cc1c[n+]([O-])c(NC[C@H]2CCC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC001162456696 939059494 /nfs/dbraw/zinc/05/94/94/939059494.db2.gz YOCFFXGGCOWZKW-ZYHUDNBSSA-N 1 0 294.355 1.584 20 5 CDBDRO CCOc1cnc(NC[C@H]2C[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC001162552272 939085520 /nfs/dbraw/zinc/08/55/20/939085520.db2.gz BWDBSDOBKKGTGO-NXEZZACHSA-N 1 0 280.328 1.798 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)cc1N[C@@H]1C=C[C@@H]2C[NH2+]C[C@@H]12 ZINC001162789953 939140098 /nfs/dbraw/zinc/14/00/98/939140098.db2.gz OSISKSIJJWLOQZ-IWSPIJDZSA-N 1 0 280.715 1.829 20 5 CDBDRO O=[N+]([O-])c1cc(NCC[C@H]2CCOC23C[NH2+]C3)cnc1F ZINC001163095377 939199171 /nfs/dbraw/zinc/19/91/71/939199171.db2.gz QJVCCDFMDNLJJI-VIFPVBQESA-N 1 0 296.302 1.309 20 5 CDBDRO CN(C)c1ccc(NC[C@@]23C[NH2+][C@@H](CO2)C3)c([N+](=O)[O-])c1 ZINC001163203474 939224915 /nfs/dbraw/zinc/22/49/15/939224915.db2.gz WKWKVHWWEKZJAP-QMTHXVAHSA-N 1 0 292.339 1.204 20 5 CDBDRO C[C@@H]1CC[C@@H](C[NH3+])N(c2ncc([N+](=O)[O-])cc2N)C1 ZINC001164074462 939406480 /nfs/dbraw/zinc/40/64/80/939406480.db2.gz TWTQKJXFYFKPKA-BDAKNGLRSA-N 1 0 265.317 1.136 20 5 CDBDRO C[C@H]1CC[C@@H](C[NH3+])CN1c1nc(Cl)ncc1[N+](=O)[O-] ZINC001164456890 939474760 /nfs/dbraw/zinc/47/47/60/939474760.db2.gz UUDMFMSVHJRKIW-YUMQZZPRSA-N 1 0 285.735 1.602 20 5 CDBDRO COc1nc(N2C[C@H](C[NH3+])CC[C@H]2C)ccc1[N+](=O)[O-] ZINC001164461214 939475650 /nfs/dbraw/zinc/47/56/50/939475650.db2.gz HQSRCFRHXLIWHA-ZJUUUORDSA-N 1 0 280.328 1.562 20 5 CDBDRO C[C@@H]1CC[C@H](C[NH3+])CN1c1ncc([N+](=O)[O-])cc1N ZINC001164467068 939476213 /nfs/dbraw/zinc/47/62/13/939476213.db2.gz DJCGHCRZWHGQAB-RKDXNWHRSA-N 1 0 265.317 1.136 20 5 CDBDRO CC(C)=CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164494285 939479035 /nfs/dbraw/zinc/47/90/35/939479035.db2.gz DBDAUPCFQBGHPG-CHWSQXEVSA-N 1 0 295.383 1.494 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001165240265 939531308 /nfs/dbraw/zinc/53/13/08/939531308.db2.gz RNVVPSDEDUXFEJ-CQSZACIVSA-N 1 0 292.339 1.117 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)n1 ZINC001165271068 939538149 /nfs/dbraw/zinc/53/81/49/939538149.db2.gz QDRRFZGSZURMEA-RYUDHWBXSA-N 1 0 292.339 1.174 20 5 CDBDRO [NH3+][C@]12C[C@H]1CN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)C2 ZINC001165316458 939545094 /nfs/dbraw/zinc/54/50/94/939545094.db2.gz ZNWQNNQUQTWQQC-MADCSZMMSA-N 1 0 259.269 1.009 20 5 CDBDRO [NH3+][C@H]1[C@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@@H]12 ZINC001165380472 939553160 /nfs/dbraw/zinc/55/31/60/939553160.db2.gz BCHPETOMANMFKV-SRSLHRDFSA-N 1 0 254.677 1.037 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001165388702 939556765 /nfs/dbraw/zinc/55/67/65/939556765.db2.gz CTPYEDDLCOMBHZ-VXNVDRBHSA-N 1 0 268.704 1.584 20 5 CDBDRO CC(C)Oc1nc(N(C)C[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001166957789 939659810 /nfs/dbraw/zinc/65/98/10/939659810.db2.gz JBCHODNLNOBZOQ-LLVKDONJSA-N 1 0 294.355 1.823 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(O[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC001218182339 941042855 /nfs/dbraw/zinc/04/28/55/941042855.db2.gz NMUPPIUPIZYCHY-QMMMGPOBSA-N 1 0 267.241 1.552 20 5 CDBDRO CC1(C)CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000720730293 941473976 /nfs/dbraw/zinc/47/39/76/941473976.db2.gz ZLQBTFNLQHFECV-NSHDSACASA-N 1 0 281.287 1.543 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCc1nc(-c2nccs2)no1 ZINC001222797980 941634693 /nfs/dbraw/zinc/63/46/93/941634693.db2.gz ZMMHVRRFSLFMHN-SECBINFHSA-N 1 0 283.377 1.804 20 5 CDBDRO COC(=O)[C@H]1CC[C@H](OCCC[N+](C)(C)C)CC1 ZINC001224623755 941777281 /nfs/dbraw/zinc/77/72/81/941777281.db2.gz QIHLVAVBHPVVEX-JOCQHMNTSA-N 1 0 258.382 1.831 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(F)c1 ZINC001225227142 941831364 /nfs/dbraw/zinc/83/13/64/941831364.db2.gz PBDPQGYDJOQHIB-LLVKDONJSA-N 1 0 256.297 1.188 20 5 CDBDRO O=[N+]([O-])c1cccc(O)c1O[C@H]1C[NH+]2CCC1CC2 ZINC001226334168 941988605 /nfs/dbraw/zinc/98/86/05/941988605.db2.gz RXMQANMYEQDTAB-LBPRGKRZSA-N 1 0 264.281 1.773 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001226434672 942004695 /nfs/dbraw/zinc/00/46/95/942004695.db2.gz NYXZAVUQQUDETD-SNVBAGLBSA-N 1 0 274.280 1.621 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C(N)=S)cc1 ZINC001226654163 942042092 /nfs/dbraw/zinc/04/20/92/942042092.db2.gz CECJINPRNPMXES-JTQLQIEISA-O 1 0 253.391 1.794 20 5 CDBDRO Cc1cc(Cl)cnc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227206614 942150386 /nfs/dbraw/zinc/15/03/86/942150386.db2.gz MYKVRXKOYOQRKI-LLVKDONJSA-N 1 0 287.767 1.406 20 5 CDBDRO C[N@@H+]1CCC[C@H](Oc2cncc([N+](=O)[O-])c2)CC1 ZINC001227988297 942251866 /nfs/dbraw/zinc/25/18/66/942251866.db2.gz QLUSEOFNGMAYJF-NSHDSACASA-N 1 0 251.286 1.853 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ncncc2[N+](=O)[O-])C1 ZINC001228654561 942349076 /nfs/dbraw/zinc/34/90/76/942349076.db2.gz LAXTYSNAYHKKBS-SECBINFHSA-N 1 0 252.274 1.246 20 5 CDBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ncncc1[N+](=O)[O-] ZINC001228660521 942350377 /nfs/dbraw/zinc/35/03/77/942350377.db2.gz SCGHOVGLCUNEGJ-IAZYJMLFSA-N 1 0 278.312 1.494 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cnc2ccsc2c1 ZINC001228903752 942390815 /nfs/dbraw/zinc/39/08/15/942390815.db2.gz WPAWXVXNNGCKQP-SNVBAGLBSA-N 1 0 295.384 1.659 20 5 CDBDRO Cn1ccc2cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc21 ZINC001229115322 942420753 /nfs/dbraw/zinc/42/07/53/942420753.db2.gz PIDFFCRUVNTSAM-CYBMUJFWSA-N 1 0 291.371 1.541 20 5 CDBDRO CCOC(=O)c1cnc(O[C@H](C)C[N+](C)(C)C)nc1 ZINC001229851348 942541659 /nfs/dbraw/zinc/54/16/59/942541659.db2.gz WPFZXHJXWAYALX-SNVBAGLBSA-N 1 0 268.337 1.127 20 5 CDBDRO CCOC(=O)c1ccnnc1O[C@H](C)C[N+](C)(C)C ZINC001230909431 942731617 /nfs/dbraw/zinc/73/16/17/942731617.db2.gz DKNRLCJQCKRLPT-SNVBAGLBSA-N 1 0 268.337 1.127 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1nccc2[nH]nc(N)c21 ZINC001233962001 943701932 /nfs/dbraw/zinc/70/19/32/943701932.db2.gz FOHNVLPDDLIWMR-QMMMGPOBSA-N 1 0 250.326 1.014 20 5 CDBDRO COc1cc(CC[N+](=O)[O-])ccc1O[C@@H](C)C[NH+](C)C ZINC001233988337 943707712 /nfs/dbraw/zinc/70/77/12/943707712.db2.gz WBXLPZYTOXIYSM-NSHDSACASA-N 1 0 282.340 1.843 20 5 CDBDRO CCOC(=O)c1cn(C(C)=O)nc1O[C@@H](C)C[N+](C)(C)C ZINC001234837964 943957020 /nfs/dbraw/zinc/95/70/20/943957020.db2.gz SHEYJSNHBUMKRQ-JTQLQIEISA-N 1 0 298.363 1.193 20 5 CDBDRO O=C([C@@H]1CCC[NH2+]CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261527307 946160626 /nfs/dbraw/zinc/16/06/26/946160626.db2.gz MYNJDDWTVVZPLU-LLVKDONJSA-N 1 0 289.335 1.827 20 5 CDBDRO CC(C)[NH2+]CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261632191 946202566 /nfs/dbraw/zinc/20/25/66/946202566.db2.gz SJLPJMCVFVSEBE-UHFFFAOYSA-N 1 0 263.297 1.435 20 5 CDBDRO O=C1CC([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254465943 947451512 /nfs/dbraw/zinc/45/15/12/947451512.db2.gz QDIJHXMKSPRMGS-UHFFFAOYSA-N 1 0 289.335 1.885 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH3+])C1 ZINC001254538413 947515773 /nfs/dbraw/zinc/51/57/73/947515773.db2.gz UQNRSFFTGQCJKC-AAEUAGOBSA-N 1 0 263.341 1.949 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC(=O)NC1 ZINC001254537908 947516651 /nfs/dbraw/zinc/51/66/51/947516651.db2.gz JPWVBFCXWLNMGQ-NEPJUHHUSA-N 1 0 291.351 1.642 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NC1CCC1 ZINC001254547488 947518942 /nfs/dbraw/zinc/51/89/42/947518942.db2.gz ITZAJALAHRDIKF-NSHDSACASA-N 1 0 291.351 1.784 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CNC(=O)C1(C)C ZINC001254550307 947522935 /nfs/dbraw/zinc/52/29/35/947522935.db2.gz HLVBXKAAOCVTJJ-ZWNOBZJWSA-N 1 0 291.351 1.640 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CO)C1 ZINC001254562817 947523842 /nfs/dbraw/zinc/52/38/42/947523842.db2.gz PFYCDJBPAQQETG-VXGBXAGGSA-N 1 0 264.325 1.840 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](O)C[C@H]1C ZINC001254553733 947524267 /nfs/dbraw/zinc/52/42/67/947524267.db2.gz XYDLWLXXZPCWPE-WZRBSPASSA-N 1 0 264.325 1.981 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1CO2 ZINC001254559169 947526101 /nfs/dbraw/zinc/52/61/01/947526101.db2.gz JFSSZKGLIMMFEE-DRZSPHRISA-N 1 0 262.309 1.999 20 5 CDBDRO Cn1cncc1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254568836 947529609 /nfs/dbraw/zinc/52/96/09/947529609.db2.gz UXGJCBRZBMHUSG-LBPRGKRZSA-N 1 0 272.308 1.585 20 5 CDBDRO Cn1cc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001254568869 947531088 /nfs/dbraw/zinc/53/10/88/947531088.db2.gz VLVNWDWHOGMNER-CYBMUJFWSA-N 1 0 272.308 1.585 20 5 CDBDRO [NH3+][C@@H]1CCCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254580547 947538466 /nfs/dbraw/zinc/53/84/66/947538466.db2.gz DURFGJNGKFJVPK-OCCSQVGLSA-N 1 0 261.325 1.485 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@H]1CO)C2 ZINC001254594592 947547264 /nfs/dbraw/zinc/54/72/64/947547264.db2.gz RSFWVMCOHTVFGX-UONOGXRCSA-N 1 0 262.309 1.519 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N[C@@H]1C[NH2+]CC13CC3)C2 ZINC001246127884 947974160 /nfs/dbraw/zinc/97/41/60/947974160.db2.gz CKLMLFHWAGFFLB-GXTWGEPZSA-N 1 0 273.336 1.404 20 5 CDBDRO COc1ccc(C[C@@H](C)N2C[C@@H](C)[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001246567658 948286515 /nfs/dbraw/zinc/28/65/15/948286515.db2.gz NFNCEUZEWLMFAI-JTNHKYCSSA-N 1 0 293.367 1.813 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@H]([NH3+])C[C@H](F)C1 ZINC001246574753 948298165 /nfs/dbraw/zinc/29/81/65/948298165.db2.gz KMTXJALEQZACLB-KGYLQXTDSA-N 1 0 281.331 1.897 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1C[C@@H]3C[NH2+]C[C@H]31)CC2 ZINC001246917135 948518142 /nfs/dbraw/zinc/51/81/42/948518142.db2.gz KBAGLDSWPDHUQU-SQWLQELKSA-N 1 0 287.363 1.746 20 5 CDBDRO O=[N+]([O-])c1cc(O)ccc1-n1cc(C[NH2+]CC2CC2)nn1 ZINC001327780831 955041414 /nfs/dbraw/zinc/04/14/14/955041414.db2.gz BCEOPZIDCNBMAW-UHFFFAOYSA-N 1 0 289.295 1.381 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CN(CC[C@H]1CC[NH2+]C1)C2 ZINC001328772581 955469580 /nfs/dbraw/zinc/46/95/80/955469580.db2.gz PIWJZPDSGSXNCB-LLVKDONJSA-N 1 0 261.325 1.910 20 5 CDBDRO Cc1cc(F)cc(C(=O)NCCC(C)(C)[NH3+])c1[N+](=O)[O-] ZINC001337044537 956037968 /nfs/dbraw/zinc/03/79/68/956037968.db2.gz LKYXHHBOLQGYEZ-UHFFFAOYSA-N 1 0 283.303 1.900 20 5 CDBDRO C[C@H]1CN(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC001308255157 956504475 /nfs/dbraw/zinc/50/44/75/956504475.db2.gz ARQCMZSKDDEMSR-LBPRGKRZSA-N 1 0 279.340 1.405 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001332173534 957465103 /nfs/dbraw/zinc/46/51/03/957465103.db2.gz KCFCXVGCULDICC-QMMMGPOBSA-N 1 0 296.283 1.231 20 5 CDBDRO CC[N@H+](CCNc1c([N+](=O)[O-])cnn1C)C(C)C ZINC001333654913 958481280 /nfs/dbraw/zinc/48/12/80/958481280.db2.gz SCDRNVWEZWYHCU-UHFFFAOYSA-N 1 0 255.322 1.471 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC[N+](=O)[O-] ZINC001334683881 959284708 /nfs/dbraw/zinc/28/47/08/959284708.db2.gz DKISRIFFCBDXSZ-HIFRSBDPSA-N 1 0 277.368 1.763 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001335844117 960057076 /nfs/dbraw/zinc/05/70/76/960057076.db2.gz OILVOHMSBULVRC-GMXVVIOVSA-N 1 0 275.308 1.161 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001322152892 960112281 /nfs/dbraw/zinc/11/22/81/960112281.db2.gz KBGOKVNLLXZWRT-JTQLQIEISA-N 1 0 265.317 1.003 20 5 CDBDRO C[C@@H](NC(=O)NC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001336115077 960209085 /nfs/dbraw/zinc/20/90/85/960209085.db2.gz BRWHEUCYEQSUFV-PWSUYJOCSA-N 1 0 292.339 1.707 20 5 CDBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001336935311 960767278 /nfs/dbraw/zinc/76/72/78/960767278.db2.gz YALCQFYONBKNFX-AOOOYVTPSA-N 1 0 277.324 1.984 20 5 CDBDRO C[C@H](NCC[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001337776689 961417021 /nfs/dbraw/zinc/41/70/21/961417021.db2.gz CXBBBMYJWAEYST-DZGCQCFKSA-N 1 0 277.368 1.763 20 5 CDBDRO C[C@H](NC(=O)C12CC(C1)C[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC001342518551 963757651 /nfs/dbraw/zinc/75/76/51/963757651.db2.gz OOKMDHLSFOSAAL-IPWFMCSPSA-N 1 0 275.308 1.524 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2C[NH2+]CC23CC3)ccc1[N+](=O)[O-] ZINC001356482910 969409959 /nfs/dbraw/zinc/40/99/59/969409959.db2.gz HWXAXAPZKGYVGY-LBPRGKRZSA-N 1 0 275.308 1.385 20 5 CDBDRO [NH3+]C1(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC001523361727 970695197 /nfs/dbraw/zinc/69/51/97/970695197.db2.gz UEHFCPOTKSOLQH-UHFFFAOYSA-N 1 0 269.688 1.469 20 5 CDBDRO Cc1c(C(=O)N2CC[C@H]3CC[C@]32C[NH3+])cccc1[N+](=O)[O-] ZINC001514529870 976297054 /nfs/dbraw/zinc/29/70/54/976297054.db2.gz KOLKGOFECMOZGA-ABAIWWIYSA-N 1 0 289.335 1.857 20 5 CDBDRO O=C(CCCF)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001132466906 1163312392 /nfs/dbraw/zinc/31/23/92/1163312392.db2.gz OJFVKIVBAMGUOR-UHFFFAOYSA-N 1 0 289.332 1.612 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601166527 342485094 /nfs/dbraw/zinc/48/50/94/342485094.db2.gz PFRGOIRATCRZRT-VIFPVBQESA-N 1 0 283.303 1.804 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601166129 342485293 /nfs/dbraw/zinc/48/52/93/342485293.db2.gz GVOBRPWIRFKOEX-UHFFFAOYSA-N 1 0 283.303 1.804 20 5 CDBDRO Cc1nc(N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000601184109 342489094 /nfs/dbraw/zinc/48/90/94/342489094.db2.gz HJNNPIXNWKSRSK-NEPJUHHUSA-N 1 0 276.340 1.686 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000108330329 341995079 /nfs/dbraw/zinc/99/50/79/341995079.db2.gz PWXGPPWDWLQPGK-VIFPVBQESA-N 1 0 283.353 1.728 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000590403701 342543939 /nfs/dbraw/zinc/54/39/39/342543939.db2.gz MXUSRUCSCFGBHB-MFKMUULPSA-N 1 0 277.324 1.759 20 5 CDBDRO CC1(C)C[C@@H]([NH2+][C@@H]2COC[C@@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000601292594 342549775 /nfs/dbraw/zinc/54/97/75/342549775.db2.gz ZHAUVEIHTPXIFC-MCIONIFRSA-N 1 0 292.335 1.667 20 5 CDBDRO C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000031100397 342074545 /nfs/dbraw/zinc/07/45/45/342074545.db2.gz RIGIEMRYHXKADX-SECBINFHSA-N 1 0 266.301 1.666 20 5 CDBDRO COc1cc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000591438098 342631982 /nfs/dbraw/zinc/63/19/82/342631982.db2.gz KYAWKTNFNIJDDZ-GXSJLCMTSA-N 1 0 295.314 1.931 20 5 CDBDRO CC(=O)c1cc(N2CC[C@@H]3CC[NH2+][C@H]3C2)ccc1[N+](=O)[O-] ZINC000591439039 342631971 /nfs/dbraw/zinc/63/19/71/342631971.db2.gz QWWJJYDMUIJKPJ-FZMZJTMJSA-N 1 0 289.335 1.986 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nc1 ZINC000591444748 342632615 /nfs/dbraw/zinc/63/26/15/342632615.db2.gz MONKTKBAYZFIJQ-NWDGAFQWSA-N 1 0 276.340 1.816 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591449353 342632963 /nfs/dbraw/zinc/63/29/63/342632963.db2.gz VZQNGNBIEHDHPM-AAEUAGOBSA-N 1 0 261.325 1.779 20 5 CDBDRO COc1cc(N2CC[C@H]3CC[NH2+][C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000591439064 342632111 /nfs/dbraw/zinc/63/21/11/342632111.db2.gz RYFBHPXOLUTIKP-MWLCHTKSSA-N 1 0 295.314 1.931 20 5 CDBDRO O=[N+]([O-])c1ccsc1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591439439 342632118 /nfs/dbraw/zinc/63/21/18/342632118.db2.gz VDIFDYOLEAQZFE-BDAKNGLRSA-N 1 0 253.327 1.845 20 5 CDBDRO O=C1CCCN1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000405422180 342136026 /nfs/dbraw/zinc/13/60/26/342136026.db2.gz SUZZLWUGZPCNME-UHFFFAOYSA-N 1 0 297.742 1.960 20 5 CDBDRO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H](O)C1CC1 ZINC000083688737 342146678 /nfs/dbraw/zinc/14/66/78/342146678.db2.gz KFDCTKDAOXWPLJ-LBPRGKRZSA-N 1 0 291.307 1.939 20 5 CDBDRO Cc1ccc(NCCC[NH2+]C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000591742646 342645162 /nfs/dbraw/zinc/64/51/62/342645162.db2.gz MQJGLJRPHZKOCJ-LLVKDONJSA-N 1 0 267.329 1.676 20 5 CDBDRO C[C@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCC(=O)N1 ZINC000453583716 252327979 /nfs/dbraw/zinc/32/79/79/252327979.db2.gz DCFZBEDSEKYWSB-LLVKDONJSA-N 1 0 269.326 1.415 20 5 CDBDRO Nc1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)cc1[N+](=O)[O-] ZINC000592357665 342688339 /nfs/dbraw/zinc/68/83/39/342688339.db2.gz INRXTPNLFPEQJS-VIFPVBQESA-N 1 0 275.268 1.652 20 5 CDBDRO COc1ccc([C@@H](C[NH3+])Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000592158528 342670479 /nfs/dbraw/zinc/67/04/79/342670479.db2.gz MQDOIBWQDKSUSZ-NSHDSACASA-N 1 0 276.296 1.542 20 5 CDBDRO COc1ccc([C@H](C[NH3+])Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000592158527 342670520 /nfs/dbraw/zinc/67/05/20/342670520.db2.gz MQDOIBWQDKSUSZ-LLVKDONJSA-N 1 0 276.296 1.542 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000592487725 342696182 /nfs/dbraw/zinc/69/61/82/342696182.db2.gz YKTIIVWFUKJBQR-AAEUAGOBSA-N 1 0 297.330 1.735 20 5 CDBDRO CN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000592472644 342698488 /nfs/dbraw/zinc/69/84/88/342698488.db2.gz UJVYWQABESCRDQ-GFCCVEGCSA-N 1 0 265.313 1.267 20 5 CDBDRO CN(CCN1CC[NH2+]CC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000592472288 342698576 /nfs/dbraw/zinc/69/85/76/342698576.db2.gz TVFVYJWKWVFSHA-UHFFFAOYSA-N 1 0 296.346 1.071 20 5 CDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CC12CC[NH2+]CC2 ZINC000070256022 361870461 /nfs/dbraw/zinc/87/04/61/361870461.db2.gz JDMMBGQMERLHJX-LBPRGKRZSA-N 1 0 289.335 1.601 20 5 CDBDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000593067046 342762074 /nfs/dbraw/zinc/76/20/74/342762074.db2.gz SDXGQIKHTNAQJO-CHWSQXEVSA-N 1 0 280.324 1.485 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000305935399 342178228 /nfs/dbraw/zinc/17/82/28/342178228.db2.gz FBSCIOWHMCJZKQ-UHFFFAOYSA-N 1 0 251.286 1.324 20 5 CDBDRO CCC[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248638192 344003318 /nfs/dbraw/zinc/00/33/18/344003318.db2.gz YPQGWSQNBPPRQU-TZMCWYRMSA-N 1 0 296.371 1.807 20 5 CDBDRO COC[C@@H](CC(C)(C)C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000593605476 342818231 /nfs/dbraw/zinc/81/82/31/342818231.db2.gz GYVPNBOZJJESTQ-LLVKDONJSA-N 1 0 284.360 1.832 20 5 CDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000221519633 361923064 /nfs/dbraw/zinc/92/30/64/361923064.db2.gz DRUJGBBWNNTFDU-TVQRCGJNSA-N 1 0 293.298 1.558 20 5 CDBDRO Cn1nnc2c1CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C2 ZINC000594515683 342913665 /nfs/dbraw/zinc/91/36/65/342913665.db2.gz PIWFYEKAHOAHAK-NSHDSACASA-N 1 0 287.323 1.370 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H]1COCCN1)c1ccc([N+](=O)[O-])cc1 ZINC000600707986 342243331 /nfs/dbraw/zinc/24/33/31/342243331.db2.gz CERFVIVJSCTBHU-ZYHUDNBSSA-N 1 0 265.313 1.234 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC2CC=CC2)c1 ZINC000600750247 342247351 /nfs/dbraw/zinc/24/73/51/342247351.db2.gz KQBCWBQTCMGLCW-CQSZACIVSA-N 1 0 292.335 1.890 20 5 CDBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])n[nH]1 ZINC000594417698 342902785 /nfs/dbraw/zinc/90/27/85/342902785.db2.gz FENLUEFNKXDNAH-GXSJLCMTSA-N 1 0 293.327 1.065 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCCCC[C@H]([NH3+])C1 ZINC000600958760 342270994 /nfs/dbraw/zinc/27/09/94/342270994.db2.gz JSFZAWDRTZSLFN-NSHDSACASA-N 1 0 281.360 1.827 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CNc3ccnn3C2)cc1 ZINC000609406127 342293087 /nfs/dbraw/zinc/29/30/87/342293087.db2.gz NZYDNRSDQQDDFR-LBPRGKRZSA-N 1 0 287.323 1.623 20 5 CDBDRO CNC(=O)CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595015998 343001214 /nfs/dbraw/zinc/00/12/14/343001214.db2.gz PGNRJSWICZSLIZ-JTQLQIEISA-N 1 0 295.339 1.780 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[NH2+]C1 ZINC000126131666 187219210 /nfs/dbraw/zinc/21/92/10/187219210.db2.gz AOJDOCVOKRROEM-LLVKDONJSA-N 1 0 263.297 1.006 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000595269241 343019209 /nfs/dbraw/zinc/01/92/09/343019209.db2.gz RWJZXLIOAQAHGD-MNOVXSKESA-N 1 0 294.355 1.871 20 5 CDBDRO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595296104 343026397 /nfs/dbraw/zinc/02/63/97/343026397.db2.gz IMUMOYQOYCNNPZ-SECBINFHSA-N 1 0 284.287 1.975 20 5 CDBDRO COc1ccc(C(=O)NCC[NH2+]C(C)(C)C)cc1[N+](=O)[O-] ZINC000075650949 342314213 /nfs/dbraw/zinc/31/42/13/342314213.db2.gz VRBRUZJHQLTAHQ-UHFFFAOYSA-N 1 0 295.339 1.721 20 5 CDBDRO CO[C@@H]1CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595423592 343055694 /nfs/dbraw/zinc/05/56/94/343055694.db2.gz BIOCPNDUKFMHFO-SNVBAGLBSA-N 1 0 269.301 1.892 20 5 CDBDRO Cc1noc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1[N+](=O)[O-] ZINC000595513592 343082609 /nfs/dbraw/zinc/08/26/09/343082609.db2.gz WZUIEVVOQKBTCB-GGZOMVNGSA-N 1 0 281.312 1.794 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@H+](C2CC2)C2(CO)CCC2)n1 ZINC000595534517 343091830 /nfs/dbraw/zinc/09/18/30/343091830.db2.gz VTBKGXKSNXOFTQ-UHFFFAOYSA-N 1 0 280.328 1.171 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000235727258 362039664 /nfs/dbraw/zinc/03/96/64/362039664.db2.gz XFWJVDKTDQSZNF-GXSJLCMTSA-N 1 0 263.297 1.465 20 5 CDBDRO COc1ccc(NC(=O)[C@H]([NH3+])CC(F)F)cc1[N+](=O)[O-] ZINC000312465633 362052413 /nfs/dbraw/zinc/05/24/13/362052413.db2.gz LOZADPLJAKQBEB-SSDOTTSWSA-N 1 0 289.238 1.524 20 5 CDBDRO CC[NH+](CC)[C@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000078575060 342338442 /nfs/dbraw/zinc/33/84/42/342338442.db2.gz UXEBCZQRANZWDI-JTQLQIEISA-N 1 0 267.333 1.249 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC1=CCCOC1 ZINC000595746708 343150856 /nfs/dbraw/zinc/15/08/56/343150856.db2.gz BRBQVIBXNCCGQE-UHFFFAOYSA-N 1 0 266.301 1.070 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000595941206 343203787 /nfs/dbraw/zinc/20/37/87/343203787.db2.gz BJSMBDGETVPMMK-UHFFFAOYSA-N 1 0 294.355 1.593 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000595985015 343211484 /nfs/dbraw/zinc/21/14/84/343211484.db2.gz ZXWMROAUVKOZIO-UWVGGRQHSA-N 1 0 297.380 1.800 20 5 CDBDRO Cc1ccc(C[NH2+]CCOCCF)cc1[N+](=O)[O-] ZINC000596058273 343222668 /nfs/dbraw/zinc/22/26/68/343222668.db2.gz HFZZVHJGLSXVBQ-UHFFFAOYSA-N 1 0 256.277 1.979 20 5 CDBDRO CCOc1ccc(C(=O)N[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595993600 343213592 /nfs/dbraw/zinc/21/35/92/343213592.db2.gz YEQAHTKOWZHZGE-AWEZNQCLSA-N 1 0 293.323 1.475 20 5 CDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000382511585 362129583 /nfs/dbraw/zinc/12/95/83/362129583.db2.gz PBNKCRHWMFNVOA-GXSJLCMTSA-N 1 0 263.297 1.452 20 5 CDBDRO CC1(C)CC[NH2+][C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000595924662 343192765 /nfs/dbraw/zinc/19/27/65/343192765.db2.gz IGHAWPIRQQRBIY-GFCCVEGCSA-N 1 0 277.324 1.599 20 5 CDBDRO CC[NH+]1CCN(CCNc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000596074576 343226125 /nfs/dbraw/zinc/22/61/25/343226125.db2.gz VQLWBTWJMBICPF-UHFFFAOYSA-N 1 0 292.383 1.953 20 5 CDBDRO COC[C@](C)([NH3+])CNc1cc(C)sc1[N+](=O)[O-] ZINC000596128651 343238206 /nfs/dbraw/zinc/23/82/06/343238206.db2.gz ODWSHQJIQVJKNL-SNVBAGLBSA-N 1 0 259.331 1.740 20 5 CDBDRO Cc1cnc(N2CC[C@@H]([NH+](C)C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000596246645 343286216 /nfs/dbraw/zinc/28/62/16/343286216.db2.gz XMZMAEXCGNVIIG-WDEREUQCSA-N 1 0 264.329 1.827 20 5 CDBDRO CC(C)[NH2+]C1(CO)CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000596251052 343274506 /nfs/dbraw/zinc/27/45/06/343274506.db2.gz KQJWJOCRTMGOBM-UHFFFAOYSA-N 1 0 294.355 1.319 20 5 CDBDRO Cn1cc(C[NH2+]CCO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000265386313 362165627 /nfs/dbraw/zinc/16/56/27/362165627.db2.gz SKZFRHQFTWLWRG-UHFFFAOYSA-N 1 0 276.296 1.077 20 5 CDBDRO C[NH+](C)C1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000596666368 343365892 /nfs/dbraw/zinc/36/58/92/343365892.db2.gz ISUGPMXCUACICZ-UHFFFAOYSA-N 1 0 292.339 1.217 20 5 CDBDRO C[C@H](CCNC(=O)Cc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000597991731 343682181 /nfs/dbraw/zinc/68/21/81/343682181.db2.gz HRIQNCJZXNSZLA-LLVKDONJSA-N 1 0 279.340 1.594 20 5 CDBDRO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])o1)[NH+](C)C ZINC000597996593 343684639 /nfs/dbraw/zinc/68/46/39/343684639.db2.gz JWKIQJGHJITPKC-MRVPVSSYSA-N 1 0 255.274 1.258 20 5 CDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000111829455 365797406 /nfs/dbraw/zinc/79/74/06/365797406.db2.gz AJWXEJUZEGNSSP-NSHDSACASA-N 1 0 265.313 1.698 20 5 CDBDRO [NH3+]CC1(NC(=O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000111832001 365797717 /nfs/dbraw/zinc/79/77/17/365797717.db2.gz TWZJSMXZUAVYGR-UHFFFAOYSA-N 1 0 263.297 1.596 20 5 CDBDRO C[NH2+]C1(CNc2nc(C(=O)OC)ccc2[N+](=O)[O-])CCC1 ZINC000598633068 343849548 /nfs/dbraw/zinc/84/95/48/343849548.db2.gz JNIWIUSIIQWNBE-UHFFFAOYSA-N 1 0 294.311 1.330 20 5 CDBDRO Cc1cccc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c1[N+](=O)[O-] ZINC000598668451 343871197 /nfs/dbraw/zinc/87/11/97/343871197.db2.gz SVBXVBWSBVSVMD-XHDPSFHLSA-N 1 0 289.335 1.857 20 5 CDBDRO [NH3+][C@]12CCC[C@@H]1CN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000598680384 343875367 /nfs/dbraw/zinc/87/53/67/343875367.db2.gz AJBROWRKMGOFRG-OCCSQVGLSA-N 1 0 261.325 1.908 20 5 CDBDRO CN(CC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598914578 343919545 /nfs/dbraw/zinc/91/95/45/343919545.db2.gz HSPAMKWXYRVEGV-UHFFFAOYSA-N 1 0 272.692 1.671 20 5 CDBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C[NH2+]1 ZINC000598914501 343919653 /nfs/dbraw/zinc/91/96/53/343919653.db2.gz GOSYOYNETMJIPS-IUCAKERBSA-N 1 0 296.302 1.948 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+](C1CC1)C1CC1 ZINC000599600970 344100441 /nfs/dbraw/zinc/10/04/41/344100441.db2.gz ZOXCGXHHLKPGMX-ZDUSSCGKSA-N 1 0 292.335 1.961 20 5 CDBDRO CCN(CC[NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000599919801 344152966 /nfs/dbraw/zinc/15/29/66/344152966.db2.gz WWRVZQBQHDRSQO-UHFFFAOYSA-N 1 0 280.328 1.393 20 5 CDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[NH2+]CC1 ZINC000210700691 344211451 /nfs/dbraw/zinc/21/14/51/344211451.db2.gz CPENSFKLVNPKRU-UTCJRWHESA-N 1 0 261.281 1.040 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000602595373 344502485 /nfs/dbraw/zinc/50/24/85/344502485.db2.gz IBHUKRAZOHSKMT-ZYHUDNBSSA-N 1 0 277.324 1.476 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000602599742 344504278 /nfs/dbraw/zinc/50/42/78/344504278.db2.gz RDEWPPIWQSHGHM-UMSPYCQHSA-N 1 0 277.324 1.842 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000602492648 344450744 /nfs/dbraw/zinc/45/07/44/344450744.db2.gz NZVHVDOWQJMESS-MWLCHTKSSA-N 1 0 295.314 1.933 20 5 CDBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CCO1 ZINC000602577631 344473641 /nfs/dbraw/zinc/47/36/41/344473641.db2.gz UTHLQOPRDFDPTH-SWLSCSKDSA-N 1 0 293.367 1.446 20 5 CDBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602592839 344481033 /nfs/dbraw/zinc/48/10/33/344481033.db2.gz VFLVDJRAGKZERH-AOOOYVTPSA-N 1 0 295.726 1.825 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000602798401 344589223 /nfs/dbraw/zinc/58/92/23/344589223.db2.gz KHCSRWJKUPKCRY-GFCCVEGCSA-N 1 0 264.329 1.832 20 5 CDBDRO CCC[C@]1([NH2+]CCn2c(C)ncc2[N+](=O)[O-])CCOC1 ZINC000602827553 344612727 /nfs/dbraw/zinc/61/27/27/344612727.db2.gz FGTXYTZVSDJPPN-ZDUSSCGKSA-N 1 0 282.344 1.649 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CSC[C@H]1C ZINC000602834407 344617868 /nfs/dbraw/zinc/61/78/68/344617868.db2.gz ZDLNSKCPOOETOP-PSASIEDQSA-N 1 0 270.358 1.441 20 5 CDBDRO C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[NH+](C)C ZINC000603572582 344820323 /nfs/dbraw/zinc/82/03/23/344820323.db2.gz YBJOUKSPKXEEKE-MRVPVSSYSA-N 1 0 295.295 1.003 20 5 CDBDRO Cn1c(C(=O)N2CCCC[C@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000604467880 344893647 /nfs/dbraw/zinc/89/36/47/344893647.db2.gz KSKAMQUXMUAQNS-NSHDSACASA-N 1 0 294.355 1.490 20 5 CDBDRO C[N@@H+]1CCCN(CCCNc2ncccc2[N+](=O)[O-])CC1 ZINC000604526553 344899881 /nfs/dbraw/zinc/89/98/81/344899881.db2.gz YZLGJWZENBUBOQ-UHFFFAOYSA-N 1 0 293.371 1.429 20 5 CDBDRO CC(C)C[C@@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668496 344982901 /nfs/dbraw/zinc/98/29/01/344982901.db2.gz RDUUJOZDXBCZSU-GFCCVEGCSA-N 1 0 265.313 1.584 20 5 CDBDRO C[C@@H]1C[NH+](CCCNc2ncc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000273241086 192084204 /nfs/dbraw/zinc/08/42/04/192084204.db2.gz YTAXEKUOJPCANP-GHMZBOCLSA-N 1 0 295.343 1.296 20 5 CDBDRO C[NH+](C)C[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1 ZINC000228669496 362520608 /nfs/dbraw/zinc/52/06/08/362520608.db2.gz LQYKCEXWFNVQGM-GFCCVEGCSA-N 1 0 253.302 1.319 20 5 CDBDRO Cc1ccc(NC[C@@](C)(O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000228669070 362520940 /nfs/dbraw/zinc/52/09/40/362520940.db2.gz INACHCREQUGAOF-CYBMUJFWSA-N 1 0 267.329 1.628 20 5 CDBDRO Cc1c(C(=O)N(C)[C@@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000159779240 362525373 /nfs/dbraw/zinc/52/53/73/362525373.db2.gz CMPLZIIPONHOHL-ZDUSSCGKSA-N 1 0 277.324 1.713 20 5 CDBDRO Nc1c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000275776076 345056221 /nfs/dbraw/zinc/05/62/21/345056221.db2.gz PABRCZPHWGKUCC-RKDXNWHRSA-N 1 0 278.312 1.177 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000129220029 345277032 /nfs/dbraw/zinc/27/70/32/345277032.db2.gz HJUXCDBQBIFPLA-PWSUYJOCSA-N 1 0 277.324 1.855 20 5 CDBDRO C[NH+](C)CCOC1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000609564107 345809576 /nfs/dbraw/zinc/80/95/76/345809576.db2.gz HRFXOWUOJSBEJJ-UHFFFAOYSA-N 1 0 294.355 1.537 20 5 CDBDRO C[NH+](C)CCn1cc(Nc2ccc([N+](=O)[O-])nc2)cn1 ZINC000609797062 346001093 /nfs/dbraw/zinc/00/10/93/346001093.db2.gz WPLFQWQPUIWDPO-UHFFFAOYSA-N 1 0 276.300 1.492 20 5 CDBDRO C[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000610569846 346314952 /nfs/dbraw/zinc/31/49/52/346314952.db2.gz BQTOPWAEEBXBTM-JTQLQIEISA-N 1 0 265.313 1.204 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[C@@H]1[NH3+] ZINC000122433408 347646481 /nfs/dbraw/zinc/64/64/81/347646481.db2.gz CAMZVKWCSWTURA-RNCFNFMXSA-N 1 0 295.314 1.933 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)C[NH2+]1 ZINC000086468100 179298532 /nfs/dbraw/zinc/29/85/32/179298532.db2.gz QMXSMDNSLAPHFE-YUMQZZPRSA-N 1 0 269.326 1.479 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000086468339 179300064 /nfs/dbraw/zinc/30/00/64/179300064.db2.gz PSMLWQAEGOEAGW-WDEREUQCSA-N 1 0 277.324 1.346 20 5 CDBDRO C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000015210404 348522010 /nfs/dbraw/zinc/52/20/10/348522010.db2.gz PDUYBLBMRRIFFC-UHFFFAOYSA-N 1 0 277.284 1.273 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000089107263 179703024 /nfs/dbraw/zinc/70/30/24/179703024.db2.gz YVKZRDSBQNRBSF-DTWKUNHWSA-N 1 0 266.301 1.170 20 5 CDBDRO CO[C@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000267857679 362937891 /nfs/dbraw/zinc/93/78/91/362937891.db2.gz XRMLXHJZUDCHQD-GWCFXTLKSA-N 1 0 293.323 1.643 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000069674478 349106558 /nfs/dbraw/zinc/10/65/58/349106558.db2.gz MWOSRWZWQXWSBV-SECBINFHSA-N 1 0 283.353 1.870 20 5 CDBDRO Cc1nn(C)c(NC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000036749348 362939897 /nfs/dbraw/zinc/93/98/97/362939897.db2.gz MCKQQTRRXIHASR-UHFFFAOYSA-N 1 0 253.306 1.143 20 5 CDBDRO C[NH+](C)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273991813 192393460 /nfs/dbraw/zinc/39/34/60/192393460.db2.gz XCHYHDAKHZYEFL-UHFFFAOYSA-N 1 0 297.330 1.689 20 5 CDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000111829054 349233125 /nfs/dbraw/zinc/23/31/25/349233125.db2.gz YYRCTBDUGVEYHY-VIFPVBQESA-N 1 0 268.317 1.037 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1COCC[NH2+]1 ZINC000236058577 362972510 /nfs/dbraw/zinc/97/25/10/362972510.db2.gz BEMIHCMYQVIIOH-SECBINFHSA-N 1 0 271.704 1.649 20 5 CDBDRO Cc1ccc(C[NH2+]CC(=O)NCC(F)F)cc1[N+](=O)[O-] ZINC000280216135 362977649 /nfs/dbraw/zinc/97/76/49/362977649.db2.gz GAPLUBGWXANYEA-UHFFFAOYSA-N 1 0 287.266 1.374 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CC3)CC2)cn1 ZINC000079947962 350992603 /nfs/dbraw/zinc/99/26/03/350992603.db2.gz CESNCPDWFLMGCB-UHFFFAOYSA-N 1 0 262.313 1.522 20 5 CDBDRO [NH3+]C[C@@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000236246416 363050336 /nfs/dbraw/zinc/05/03/36/363050336.db2.gz ALYIEEAVARYNCT-MRVPVSSYSA-N 1 0 271.704 1.412 20 5 CDBDRO C[NH2+]CCCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000121443007 186972913 /nfs/dbraw/zinc/97/29/13/186972913.db2.gz SBCZQOLBASUGEO-UHFFFAOYSA-N 1 0 283.353 1.413 20 5 CDBDRO CCc1nn(C)c(NC[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000291987313 198125790 /nfs/dbraw/zinc/12/57/90/198125790.db2.gz XRKRJNDAUXMZQF-VIFPVBQESA-N 1 0 269.349 1.500 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CCCC[NH3+])c1 ZINC000292014151 198134143 /nfs/dbraw/zinc/13/41/43/198134143.db2.gz DPTHTHUJRNGXLS-JTQLQIEISA-N 1 0 295.339 1.851 20 5 CDBDRO C[C@@](C[NH3+])(NC(=O)c1ccc([N+](=O)[O-])o1)C1CC1 ZINC000148901753 187919315 /nfs/dbraw/zinc/91/93/15/187919315.db2.gz FQSOTTJRBLAVJR-NSHDSACASA-N 1 0 253.258 1.045 20 5 CDBDRO CC(C)([NH2+]CCN1CCNC1=O)c1ccccc1[N+](=O)[O-] ZINC000292255351 198219431 /nfs/dbraw/zinc/21/94/31/198219431.db2.gz YBJNXVRWLWFRPH-UHFFFAOYSA-N 1 0 292.339 1.445 20 5 CDBDRO C[C@H]1C[C@@H](O)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000292297308 198234804 /nfs/dbraw/zinc/23/48/04/198234804.db2.gz CWHZZIKJLSUYTK-AAEUAGOBSA-N 1 0 280.324 1.819 20 5 CDBDRO CC[N@H+](C)CCNc1cc(OC)ccc1[N+](=O)[O-] ZINC000155811999 188228962 /nfs/dbraw/zinc/22/89/62/188228962.db2.gz WTPXBQVHNKDUBW-UHFFFAOYSA-N 1 0 253.302 1.967 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000157845899 188342291 /nfs/dbraw/zinc/34/22/91/188342291.db2.gz HUSSMXYPBUDEFI-QMMMGPOBSA-N 1 0 289.295 1.034 20 5 CDBDRO C[N@@H+](CCc1nccs1)CCn1ccc([N+](=O)[O-])n1 ZINC000157992491 188351458 /nfs/dbraw/zinc/35/14/58/188351458.db2.gz XZNOPWQTARUAES-UHFFFAOYSA-N 1 0 281.341 1.422 20 5 CDBDRO CSc1cccc(C(=O)NC[C@@H]2CC[NH2+]2)c1[N+](=O)[O-] ZINC001579393519 1172165740 /nfs/dbraw/zinc/16/57/40/1172165740.db2.gz YAWQUHZNVLHMRK-QMMMGPOBSA-N 1 0 281.337 1.408 20 5 CDBDRO Cc1ccc(C(=O)NCC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000063170253 363277426 /nfs/dbraw/zinc/27/74/26/363277426.db2.gz IDLWLNPPOQLJAR-VIFPVBQESA-N 1 0 251.286 1.370 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000094339346 366134460 /nfs/dbraw/zinc/13/44/60/366134460.db2.gz YQWBXEBGWPEUEV-GXFFZTMASA-N 1 0 277.324 1.713 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063198897 363397546 /nfs/dbraw/zinc/39/75/46/363397546.db2.gz FMVGLLPTSZDBTG-LLVKDONJSA-N 1 0 293.323 1.792 20 5 CDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCCC[NH2+]C1CC1 ZINC000578133622 356163512 /nfs/dbraw/zinc/16/35/12/356163512.db2.gz PDQPCROWXOKCGM-UHFFFAOYSA-N 1 0 293.323 1.232 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH+](C)C)c1 ZINC000293748639 198757455 /nfs/dbraw/zinc/75/74/55/198757455.db2.gz LZYKZIHCZFFRRS-NSHDSACASA-N 1 0 279.340 1.831 20 5 CDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000283410496 357554288 /nfs/dbraw/zinc/55/42/88/357554288.db2.gz VRURJPZHHHQPLG-LLVKDONJSA-N 1 0 293.323 1.644 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NCC1(C)CC[NH+](C)CC1 ZINC000227307819 357613179 /nfs/dbraw/zinc/61/31/79/357613179.db2.gz FTEPHNCPMAOWMB-UHFFFAOYSA-N 1 0 267.333 1.472 20 5 CDBDRO C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000360882352 357730193 /nfs/dbraw/zinc/73/01/93/357730193.db2.gz DMDVMOUPLZQVPV-IACUBPJLSA-N 1 0 294.351 1.890 20 5 CDBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000036256871 357817833 /nfs/dbraw/zinc/81/78/33/357817833.db2.gz RJFVWKLJJDYCFK-LLVKDONJSA-N 1 0 289.335 1.999 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000191996475 358166539 /nfs/dbraw/zinc/16/65/39/358166539.db2.gz YZMGACPSBQMRQC-IUCAKERBSA-N 1 0 263.297 1.467 20 5 CDBDRO Cc1sc(C(=O)N(C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000294823945 199199869 /nfs/dbraw/zinc/19/98/69/199199869.db2.gz KVTVUMBHPARDCY-UHFFFAOYSA-N 1 0 269.326 1.526 20 5 CDBDRO Cc1c(C[NH+]2CCC(OCCO)CC2)cccc1[N+](=O)[O-] ZINC000135390231 358401851 /nfs/dbraw/zinc/40/18/51/358401851.db2.gz MKCGLZAUZRPIKK-UHFFFAOYSA-N 1 0 294.351 1.877 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]([NH3+])C(C)C)c1 ZINC000422848874 535428112 /nfs/dbraw/zinc/42/81/12/535428112.db2.gz KTMCYKRAPBNMRT-LBPRGKRZSA-N 1 0 295.339 1.707 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000132676398 358575279 /nfs/dbraw/zinc/57/52/79/358575279.db2.gz QNTYLBBJJSIIBF-VIFPVBQESA-N 1 0 297.742 1.930 20 5 CDBDRO COC(=O)COC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000295433503 358524300 /nfs/dbraw/zinc/52/43/00/358524300.db2.gz OXTIQJRZMVXENV-JTQLQIEISA-N 1 0 282.296 1.263 20 5 CDBDRO C[NH+](C)C[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000132979728 358591345 /nfs/dbraw/zinc/59/13/45/358591345.db2.gz MONGHNUUDZQMNN-GFCCVEGCSA-N 1 0 298.299 1.228 20 5 CDBDRO COc1cc(NC[C@](C)(O)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000132938711 358594263 /nfs/dbraw/zinc/59/42/63/358594263.db2.gz YDAYCTROHSRKHF-ZDUSSCGKSA-N 1 0 283.328 1.328 20 5 CDBDRO CCc1ccc(OC[C@@H](O)C[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000290797852 358596737 /nfs/dbraw/zinc/59/67/37/358596737.db2.gz PESHLIFUGKPVLA-ZDUSSCGKSA-N 1 0 294.351 1.991 20 5 CDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000287488606 358663654 /nfs/dbraw/zinc/66/36/54/358663654.db2.gz NCTKSMVWGFEVPL-ZJUUUORDSA-N 1 0 293.327 1.017 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000294934149 199257994 /nfs/dbraw/zinc/25/79/94/199257994.db2.gz URZJAONZOKYGLY-SNVBAGLBSA-N 1 0 292.339 1.439 20 5 CDBDRO CC[NH+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000014195869 358917553 /nfs/dbraw/zinc/91/75/53/358917553.db2.gz DGDIVOCEPUDRRV-UHFFFAOYSA-N 1 0 292.339 1.171 20 5 CDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H](C)OC ZINC000291354568 358945719 /nfs/dbraw/zinc/94/57/19/358945719.db2.gz YFYKBZNTVMJEBG-LLVKDONJSA-N 1 0 283.328 1.113 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000267213453 359029157 /nfs/dbraw/zinc/02/91/57/359029157.db2.gz CAHMPQAVYXYYRB-ZJUUUORDSA-N 1 0 267.333 1.613 20 5 CDBDRO CC[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1C[C@@H](C)O ZINC000105790766 358986888 /nfs/dbraw/zinc/98/68/88/358986888.db2.gz WQTZKFIWHRWIFD-NEPJUHHUSA-N 1 0 294.355 1.271 20 5 CDBDRO C[C@@H](c1cccnc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000093226762 359017384 /nfs/dbraw/zinc/01/73/84/359017384.db2.gz ZNGVNAOGPARFRD-NSHDSACASA-N 1 0 275.312 1.879 20 5 CDBDRO CC[C@@H](C)[NH+]1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000451840826 359084944 /nfs/dbraw/zinc/08/49/44/359084944.db2.gz KZOTUDMFBSEZMN-LLVKDONJSA-N 1 0 281.360 1.244 20 5 CDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1(C(N)=O)CCCC1 ZINC000120090655 359106574 /nfs/dbraw/zinc/10/65/74/359106574.db2.gz WMNVFOADHKSGTE-UHFFFAOYSA-N 1 0 291.351 1.867 20 5 CDBDRO COc1ccc(C[NH2+]C[C@@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000353070838 359133086 /nfs/dbraw/zinc/13/30/86/359133086.db2.gz ISRPOWQGTGYCAX-LBPRGKRZSA-N 1 0 280.324 1.712 20 5 CDBDRO Cn1c(C(=O)NC[C@]2(C)CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000128783874 359133409 /nfs/dbraw/zinc/13/34/09/359133409.db2.gz KRCUTWUFIUFLNK-CYBMUJFWSA-N 1 0 280.328 1.053 20 5 CDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000127591259 359152099 /nfs/dbraw/zinc/15/20/99/359152099.db2.gz MSOYATUUJPTHKR-NEPJUHHUSA-N 1 0 293.298 1.700 20 5 CDBDRO C[C@H](Nc1ccc([N+](=O)[O-])nc1)[C@@H]1CCC[NH2+]C1 ZINC000050163709 359352329 /nfs/dbraw/zinc/35/23/29/359352329.db2.gz SRXHFUMHIGMGDH-VHSXEESVSA-N 1 0 250.302 1.790 20 5 CDBDRO C[NH+](C)CCCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000114674721 359490460 /nfs/dbraw/zinc/49/04/60/359490460.db2.gz SQMXZOHDDISNFC-UHFFFAOYSA-N 1 0 280.328 1.075 20 5 CDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000347773940 359604642 /nfs/dbraw/zinc/60/46/42/359604642.db2.gz HLZJKYXCTAHRCS-LLVKDONJSA-N 1 0 294.355 1.538 20 5 CDBDRO CNc1ccc(C(=O)N2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000571830306 359619202 /nfs/dbraw/zinc/61/92/02/359619202.db2.gz VASJBJVNLAWYMV-UHFFFAOYSA-N 1 0 278.312 1.072 20 5 CDBDRO Cc1nc(N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000297359043 200160999 /nfs/dbraw/zinc/16/09/99/200160999.db2.gz BWFBKXVUNCMXPN-GXSJLCMTSA-N 1 0 279.344 1.470 20 5 CDBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000385753002 359916424 /nfs/dbraw/zinc/91/64/24/359916424.db2.gz DHSARZXIEJGSJE-YPMHNXCESA-N 1 0 264.325 1.840 20 5 CDBDRO C[NH+](C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])o2)CCSC1 ZINC000267343897 359987473 /nfs/dbraw/zinc/98/74/73/359987473.db2.gz TYDIMQPYZGDASK-LBPRGKRZSA-N 1 0 299.352 1.355 20 5 CDBDRO COCC[N@H+](C)CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000073000402 360069384 /nfs/dbraw/zinc/06/93/84/360069384.db2.gz MGFOPYMJQDODFH-UHFFFAOYSA-N 1 0 268.317 1.288 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC(C)(C)C[NH3+] ZINC000063020153 360134975 /nfs/dbraw/zinc/13/49/75/360134975.db2.gz NFWSHFGKTLEQQF-UHFFFAOYSA-N 1 0 251.286 1.370 20 5 CDBDRO COCC1(O)CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000270391789 360468242 /nfs/dbraw/zinc/46/82/42/360468242.db2.gz SPXYABDHZUYHML-UHFFFAOYSA-N 1 0 294.351 1.877 20 5 CDBDRO COCC[NH2+]CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000162840635 360533051 /nfs/dbraw/zinc/53/30/51/360533051.db2.gz DTYXBQCWJMCZCZ-LLVKDONJSA-N 1 0 295.339 1.316 20 5 CDBDRO Cc1sc(C(=O)N2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000178559960 189126854 /nfs/dbraw/zinc/12/68/54/189126854.db2.gz RUVSVDUQWXUQPY-MRVPVSSYSA-N 1 0 269.326 1.386 20 5 CDBDRO CCNC(=O)NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180434356 189255495 /nfs/dbraw/zinc/25/54/95/189255495.db2.gz ACRDIOFJKLWGCD-SECBINFHSA-N 1 0 294.311 1.091 20 5 CDBDRO CCC(CC)(C[NH3+])NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000236747966 361367774 /nfs/dbraw/zinc/36/77/74/361367774.db2.gz WDYCFRUXFPWJLA-UHFFFAOYSA-N 1 0 294.355 1.640 20 5 CDBDRO COC1CC[NH+](CCNc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000301677174 201130653 /nfs/dbraw/zinc/13/06/53/201130653.db2.gz SXQJBJGQWAJNOA-UHFFFAOYSA-N 1 0 294.355 1.821 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000519599539 361422866 /nfs/dbraw/zinc/42/28/66/361422866.db2.gz NQHCIWVNLQOIGB-CMPLNLGQSA-N 1 0 277.324 1.252 20 5 CDBDRO Cc1c(NC(=O)[C@@H](C)[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000134029336 361494246 /nfs/dbraw/zinc/49/42/46/361494246.db2.gz FXJGZHWJGRQLGG-IONNQARKSA-N 1 0 251.286 1.825 20 5 CDBDRO Cc1nc(N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)ncc1[N+](=O)[O-] ZINC000294860405 361492741 /nfs/dbraw/zinc/49/27/41/361492741.db2.gz CZRSWTJRLCMYHY-PWSUYJOCSA-N 1 0 277.328 1.224 20 5 CDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000268204354 364455159 /nfs/dbraw/zinc/45/51/59/364455159.db2.gz JLDXIYSPELGGQX-GZMMTYOYSA-N 1 0 295.364 1.869 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000151866016 364427955 /nfs/dbraw/zinc/42/79/55/364427955.db2.gz BOQBTXKGMWUQJD-UHFFFAOYSA-N 1 0 280.328 1.250 20 5 CDBDRO C[C@@H](NC(=O)N[C@@H](C)CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000417980155 296084574 /nfs/dbraw/zinc/08/45/74/296084574.db2.gz JZEHICWSUDSIMR-VHSXEESVSA-N 1 0 280.328 1.692 20 5 CDBDRO CCN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCNC1=O ZINC000440953780 367181316 /nfs/dbraw/zinc/18/13/16/367181316.db2.gz LLRQUDGFAUCKFK-GFCCVEGCSA-N 1 0 297.742 1.959 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1CCCC1 ZINC000090522201 367567957 /nfs/dbraw/zinc/56/79/57/367567957.db2.gz QCZDCCVVTWDUGI-UHFFFAOYSA-N 1 0 279.340 1.879 20 5 CDBDRO C[C@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000417127662 242329472 /nfs/dbraw/zinc/32/94/72/242329472.db2.gz GWYPZRCEJXBJFS-HWNAMQAFSA-N 1 0 290.323 1.173 20 5 CDBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC000368643467 284019655 /nfs/dbraw/zinc/01/96/55/284019655.db2.gz AKUFTWXDAPGIEN-GFCCVEGCSA-N 1 0 275.308 1.467 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOC[C@@H](C3CCC3)C2)n1 ZINC000367823356 370923533 /nfs/dbraw/zinc/92/35/33/370923533.db2.gz OJKLGUINRBKZLV-ZDUSSCGKSA-N 1 0 294.355 1.540 20 5 CDBDRO Cc1nc(N[C@@H](C[NH3+])C2CCCC2)ncc1[N+](=O)[O-] ZINC000420287933 244028689 /nfs/dbraw/zinc/02/86/89/244028689.db2.gz XYAKBVWTSUIUFA-JTQLQIEISA-N 1 0 265.317 1.623 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000420382713 244179564 /nfs/dbraw/zinc/17/95/64/244179564.db2.gz ZYCRCCMGEYHTSG-LALPHHSUSA-N 1 0 293.367 1.950 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2CCCN(C)C2=O)cc1[N+](=O)[O-] ZINC000344619084 369426249 /nfs/dbraw/zinc/42/62/49/369426249.db2.gz IAZUAKFALGNXQO-NSHDSACASA-N 1 0 293.323 1.314 20 5 CDBDRO Cc1ccc([C@H](C)NC[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000330870409 203334434 /nfs/dbraw/zinc/33/44/34/203334434.db2.gz FTDDNISZJAMOJE-WFASDCNBSA-N 1 0 293.367 1.620 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+]1C ZINC000330892793 203361008 /nfs/dbraw/zinc/36/10/08/203361008.db2.gz DHIBQFVPSIJDHX-DTWKUNHWSA-N 1 0 267.285 1.400 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000295341394 369988339 /nfs/dbraw/zinc/98/83/39/369988339.db2.gz YFERPFHERQGIQY-JTQLQIEISA-N 1 0 281.312 1.217 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000277045638 193539667 /nfs/dbraw/zinc/53/96/67/193539667.db2.gz KWROOPLKQGITJH-JGVFFNPUSA-N 1 0 285.731 1.848 20 5 CDBDRO C[NH2+]C[C@H](C)CNCc1ccc([N+](=O)[O-])cc1F ZINC000414837485 370494349 /nfs/dbraw/zinc/49/43/49/370494349.db2.gz KETKOPPNUPTIRD-VIFPVBQESA-N 1 0 255.293 1.679 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422711529 245169691 /nfs/dbraw/zinc/16/96/91/245169691.db2.gz HBNKWFUSOSJVDK-GXFFZTMASA-N 1 0 279.340 1.691 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000168708455 371048044 /nfs/dbraw/zinc/04/80/44/371048044.db2.gz SFAURHSTINLFIC-XTYWZOAOSA-N 1 0 289.335 1.804 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000422749612 245213298 /nfs/dbraw/zinc/21/32/98/245213298.db2.gz ZYZPFRYLLKDPLR-SECBINFHSA-N 1 0 279.296 1.085 20 5 CDBDRO COc1cccc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000422823824 245302719 /nfs/dbraw/zinc/30/27/19/245302719.db2.gz MILKROSBKJFLPZ-AOOOYVTPSA-N 1 0 293.323 1.426 20 5 CDBDRO Cc1ccc(NC(=O)[C@]23C[C@H]2CC[NH2+]3)cc1[N+](=O)[O-] ZINC000422907209 245394810 /nfs/dbraw/zinc/39/48/10/245394810.db2.gz LAXGPDIBEJKMDO-RNCFNFMXSA-N 1 0 261.281 1.594 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091673205 374099018 /nfs/dbraw/zinc/09/90/18/374099018.db2.gz JTAAALWNTXBIPQ-YPMHNXCESA-N 1 0 292.339 1.573 20 5 CDBDRO Cc1nc(N(C)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000420143557 374287881 /nfs/dbraw/zinc/28/78/81/374287881.db2.gz YHVURYRLBQQEEJ-UHFFFAOYSA-N 1 0 250.302 1.486 20 5 CDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000299003118 374294209 /nfs/dbraw/zinc/29/42/09/374294209.db2.gz MWJNDNVYALKKKP-SNVBAGLBSA-N 1 0 280.328 1.385 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000161615812 374355029 /nfs/dbraw/zinc/35/50/29/374355029.db2.gz AXOOJVILLKIVJR-QWRGUYRKSA-N 1 0 263.297 1.595 20 5 CDBDRO [NH3+][C@@H]1CC[C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000423843889 246138501 /nfs/dbraw/zinc/13/85/01/246138501.db2.gz LBQFRDXNMQUJBP-WCBMZHEXSA-N 1 0 297.742 1.992 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423465003 374383594 /nfs/dbraw/zinc/38/35/94/374383594.db2.gz WJGVFAHDGDWFAS-VIFPVBQESA-N 1 0 288.307 1.468 20 5 CDBDRO COc1cc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000429161311 374570184 /nfs/dbraw/zinc/57/01/84/374570184.db2.gz JLSISUXTNLLHHY-JQWIXIFHSA-N 1 0 280.324 1.949 20 5 CDBDRO CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(N)=O ZINC000429170377 374570272 /nfs/dbraw/zinc/57/02/72/374570272.db2.gz XIINEKFXIXONKL-UHFFFAOYSA-N 1 0 281.312 1.171 20 5 CDBDRO CS(=O)(=O)CCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000424167178 246364212 /nfs/dbraw/zinc/36/42/12/246364212.db2.gz BYYWMAQNZDQZRK-UHFFFAOYSA-N 1 0 286.353 1.509 20 5 CDBDRO Cc1ccc(CN2CCN3C(=O)OC[C@H]3C2)cc1[N+](=O)[O-] ZINC000378346448 374638844 /nfs/dbraw/zinc/63/88/44/374638844.db2.gz RECGACGGEPKMPI-GFCCVEGCSA-N 1 0 291.307 1.540 20 5 CDBDRO C[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000070176611 374655398 /nfs/dbraw/zinc/65/53/98/374655398.db2.gz SBMVKYQWVKCVIN-SMDDNHRTSA-N 1 0 291.351 1.723 20 5 CDBDRO C[N@@H+]1CCC[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000299508559 374678251 /nfs/dbraw/zinc/67/82/51/374678251.db2.gz LXCAZJXTCQCQBC-ZDUSSCGKSA-N 1 0 277.324 1.348 20 5 CDBDRO C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000154771847 374748441 /nfs/dbraw/zinc/74/84/41/374748441.db2.gz QCBJMLALCMLGGL-SKDRFNHKSA-N 1 0 283.303 1.865 20 5 CDBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000447815514 374715120 /nfs/dbraw/zinc/71/51/20/374715120.db2.gz DYZANKBSDIIZIT-JTQLQIEISA-N 1 0 294.359 1.330 20 5 CDBDRO CCOCC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000093313193 374742106 /nfs/dbraw/zinc/74/21/06/374742106.db2.gz ZFOMAFOGEVGAOX-UHFFFAOYSA-N 1 0 268.313 1.942 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000449519617 374818935 /nfs/dbraw/zinc/81/89/35/374818935.db2.gz QGINNXJJXSWBIN-OCCSQVGLSA-N 1 0 261.325 1.731 20 5 CDBDRO O=[N+]([O-])c1cnc2c(c1)CN(CC[NH+]1CCCCC1)CC2 ZINC000332590589 375037398 /nfs/dbraw/zinc/03/73/98/375037398.db2.gz KJAIYYQWZMSPIN-UHFFFAOYSA-N 1 0 290.367 1.834 20 5 CDBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282376501 375082328 /nfs/dbraw/zinc/08/23/28/375082328.db2.gz CMUVCVKHDFOYED-PRHODGIISA-N 1 0 281.287 1.348 20 5 CDBDRO C[C@@H](c1nnnn1C)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282566179 375094712 /nfs/dbraw/zinc/09/47/12/375094712.db2.gz ZDOYGNACGBVQOZ-JTQLQIEISA-N 1 0 290.327 1.354 20 5 CDBDRO CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000299667358 375191513 /nfs/dbraw/zinc/19/15/13/375191513.db2.gz XPDNPDHTSKEMPS-UHFFFAOYSA-N 1 0 266.301 1.091 20 5 CDBDRO Cc1c(C[NH2+]CC2(O)CCOCC2)cccc1[N+](=O)[O-] ZINC000162629635 375391606 /nfs/dbraw/zinc/39/16/06/375391606.db2.gz XUAHOJXWNJHAIP-UHFFFAOYSA-N 1 0 280.324 1.534 20 5 CDBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000352112618 375353241 /nfs/dbraw/zinc/35/32/41/375353241.db2.gz UZNCLDSJTZYGLE-CQSZACIVSA-N 1 0 295.339 1.027 20 5 CDBDRO CN(CCc1ccc([N+](=O)[O-])cc1)[C@@H](C[NH3+])C1CC1 ZINC000160035006 375410355 /nfs/dbraw/zinc/41/03/55/375410355.db2.gz RXHUBPWEZHVNDT-AWEZNQCLSA-N 1 0 263.341 1.806 20 5 CDBDRO Cc1nn(C)c(NCCC[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000227009755 375415660 /nfs/dbraw/zinc/41/56/60/375415660.db2.gz MOZMQCNSBUPRMD-UHFFFAOYSA-N 1 0 269.349 1.779 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H](O)C(F)F ZINC000344766328 375430544 /nfs/dbraw/zinc/43/05/44/375430544.db2.gz XMCFQDUEAKDRHL-USEMIUTHSA-N 1 0 272.251 1.824 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132579018 375530196 /nfs/dbraw/zinc/53/01/96/375530196.db2.gz VELLOQMVQUEJLD-MRVPVSSYSA-N 1 0 267.260 1.168 20 5 CDBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000227649877 375586121 /nfs/dbraw/zinc/58/61/21/375586121.db2.gz GQQRBLOAVNAFOR-YUMQZZPRSA-N 1 0 268.704 1.299 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)C2CC2)c(F)c1 ZINC000353069176 375573804 /nfs/dbraw/zinc/57/38/04/375573804.db2.gz FKMZTFISCSCCCF-LLVKDONJSA-N 1 0 268.288 1.842 20 5 CDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC(O)C1 ZINC000353492834 375619492 /nfs/dbraw/zinc/61/94/92/375619492.db2.gz VOLIVAHJLALKDK-UHFFFAOYSA-N 1 0 266.297 1.429 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)C1CC(O)C1 ZINC000353496759 375619677 /nfs/dbraw/zinc/61/96/77/375619677.db2.gz QUFWVJRAFACWKS-UHFFFAOYSA-N 1 0 280.324 1.949 20 5 CDBDRO CC1(CNc2ncccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000129461400 375658352 /nfs/dbraw/zinc/65/83/52/375658352.db2.gz YELNSPDXMAKLRU-UHFFFAOYSA-N 1 0 250.302 1.791 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000307891820 375932234 /nfs/dbraw/zinc/93/22/34/375932234.db2.gz GERCUBDDRWMWOJ-LLVKDONJSA-N 1 0 263.297 1.465 20 5 CDBDRO O=[N+]([O-])c1ccn(CCN2CC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC000357941775 375941919 /nfs/dbraw/zinc/94/19/19/375941919.db2.gz TUGDLECOOUELGL-CYBMUJFWSA-N 1 0 293.371 1.352 20 5 CDBDRO CC(C)NC(=O)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000054048359 376369123 /nfs/dbraw/zinc/36/91/23/376369123.db2.gz HMZPABUZFDBESW-UHFFFAOYSA-N 1 0 265.313 1.599 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000267059104 376677520 /nfs/dbraw/zinc/67/75/20/376677520.db2.gz BGPKDBSQYMEBPP-UHFFFAOYSA-N 1 0 291.307 1.975 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000436052202 248219004 /nfs/dbraw/zinc/21/90/04/248219004.db2.gz CGIHWYWFLCAWNQ-NWDGAFQWSA-N 1 0 279.340 1.656 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@]1(C)CCC[NH2+]C1 ZINC000129379045 377394300 /nfs/dbraw/zinc/39/43/00/377394300.db2.gz RSDNGIBBZNGQIC-LLVKDONJSA-N 1 0 253.306 1.130 20 5 CDBDRO CC[NH2+]CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000054267309 377447286 /nfs/dbraw/zinc/44/72/86/377447286.db2.gz IDENWPQAIPRFBN-UHFFFAOYSA-N 1 0 255.303 1.325 20 5 CDBDRO O=[N+]([O-])c1ccccc1N1CCC([NH+]2CCOCC2)CC1 ZINC000141408604 377460695 /nfs/dbraw/zinc/46/06/95/377460695.db2.gz TZMKHRYMDASSKX-UHFFFAOYSA-N 1 0 291.351 1.896 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000261616831 284667083 /nfs/dbraw/zinc/66/70/83/284667083.db2.gz CWUUJXATDOZIKD-UHFFFAOYSA-N 1 0 289.335 1.811 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000129553481 377719384 /nfs/dbraw/zinc/71/93/84/377719384.db2.gz MJEAXRNQAKFHIU-CHWSQXEVSA-N 1 0 280.324 1.852 20 5 CDBDRO CC[NH+](CC)CC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000089304550 377818735 /nfs/dbraw/zinc/81/87/35/377818735.db2.gz WQLBFSDEHVXOSK-UHFFFAOYSA-N 1 0 279.340 1.595 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@]1(O)CCOC1 ZINC000269954207 377825396 /nfs/dbraw/zinc/82/53/96/377825396.db2.gz HRQKPZAIOYPALK-KQIUPUNMSA-N 1 0 278.308 1.349 20 5 CDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000069847185 378915424 /nfs/dbraw/zinc/91/54/24/378915424.db2.gz XKMCTKSWKMCYLV-GFCCVEGCSA-N 1 0 278.356 1.643 20 5 CDBDRO CC(C)[C@@H](CCO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444671721 250164072 /nfs/dbraw/zinc/16/40/72/250164072.db2.gz DMQWBPOHHNOMJQ-LLVKDONJSA-N 1 0 292.339 1.968 20 5 CDBDRO C[N@H+](C[C@H](O)CN1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000289453818 197354212 /nfs/dbraw/zinc/35/42/12/197354212.db2.gz FKAGXUOEKILPSO-AWEZNQCLSA-N 1 0 291.351 1.412 20 5 CDBDRO O=C(NCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000041976052 379512870 /nfs/dbraw/zinc/51/28/70/379512870.db2.gz OPPMWEBABGLCHK-UHFFFAOYSA-N 1 0 253.258 1.013 20 5 CDBDRO C[C@@H](O)CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488714084 252959268 /nfs/dbraw/zinc/95/92/68/252959268.db2.gz MVVVJZWLRBRFQT-LLVKDONJSA-N 1 0 282.344 1.589 20 5 CDBDRO CNC(=O)[C@H](C)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000492482097 253229646 /nfs/dbraw/zinc/22/96/46/253229646.db2.gz FZPOCIVGFGANAD-BRNRAETOSA-N 1 0 277.324 1.722 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]CCN2CCCOCC2)cs1 ZINC000289430356 197343261 /nfs/dbraw/zinc/34/32/61/197343261.db2.gz KOERUPSMBCOQHC-UHFFFAOYSA-N 1 0 285.369 1.468 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000190324308 285176304 /nfs/dbraw/zinc/17/63/04/285176304.db2.gz MYFLUEQVIBEMSA-SECBINFHSA-N 1 0 268.342 1.726 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[C@H]1[NH3+] ZINC000094339238 184783217 /nfs/dbraw/zinc/78/32/17/184783217.db2.gz CKICDDRJYHBVOM-JGVFFNPUSA-N 1 0 269.326 1.466 20 5 CDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])cn1 ZINC000286330425 390197873 /nfs/dbraw/zinc/19/78/73/390197873.db2.gz LLBMKOZQLLNHQZ-WDEREUQCSA-N 1 0 277.328 1.448 20 5 CDBDRO CCO[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000451537908 390630831 /nfs/dbraw/zinc/63/08/31/390630831.db2.gz IWTJGPCRFKZKJY-RYUDHWBXSA-N 1 0 282.344 1.538 20 5 CDBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)O ZINC000395296322 390840145 /nfs/dbraw/zinc/84/01/45/390840145.db2.gz HTIYGBFQKZCTOO-GXSJLCMTSA-N 1 0 268.313 1.852 20 5 CDBDRO C[C@H]1C[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000262378634 390911220 /nfs/dbraw/zinc/91/12/20/390911220.db2.gz NKTJSVAPRPRSHC-JQWIXIFHSA-N 1 0 289.335 1.872 20 5 CDBDRO C[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C[C@@H]1C[NH3+] ZINC000226784352 390924465 /nfs/dbraw/zinc/92/44/65/390924465.db2.gz ACVKVBNSVZIYHG-YUMQZZPRSA-N 1 0 256.331 1.472 20 5 CDBDRO C[NH2+]C[C@H](C)CNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000517243710 390968616 /nfs/dbraw/zinc/96/86/16/390968616.db2.gz FGILNTBOWXQTQJ-JTQLQIEISA-N 1 0 282.344 1.466 20 5 CDBDRO Cc1c(C(=O)N2CCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000122303729 391043313 /nfs/dbraw/zinc/04/33/13/391043313.db2.gz GROBKGRVDLEYGZ-SNVBAGLBSA-N 1 0 263.297 1.467 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](C3CC3)C2)c(F)c1 ZINC000413072227 391154990 /nfs/dbraw/zinc/15/49/90/391154990.db2.gz KUKDBOACVLNNCW-QMMMGPOBSA-N 1 0 266.276 1.778 20 5 CDBDRO CC(C)Oc1nc(NC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000519708949 391204539 /nfs/dbraw/zinc/20/45/39/391204539.db2.gz OATFKZROPFPEFV-UHFFFAOYSA-N 1 0 294.355 1.705 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000415294000 391278647 /nfs/dbraw/zinc/27/86/47/391278647.db2.gz JYRHPLSNUSSUHO-SNVBAGLBSA-N 1 0 278.312 1.695 20 5 CDBDRO [NH3+][C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000129184288 391639157 /nfs/dbraw/zinc/63/91/57/391639157.db2.gz ZCXXXELLEKJAEA-SNVBAGLBSA-N 1 0 283.715 1.715 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269223007 391603006 /nfs/dbraw/zinc/60/30/06/391603006.db2.gz CCWJQFXMRHGFAU-QMMMGPOBSA-N 1 0 285.731 1.720 20 5 CDBDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000341875179 130101086 /nfs/dbraw/zinc/10/10/86/130101086.db2.gz JIMSWXFKZKXBHO-JQWIXIFHSA-N 1 0 277.324 1.409 20 5 CDBDRO COC[C@@H](O)C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000517359429 391777258 /nfs/dbraw/zinc/77/72/58/391777258.db2.gz CVSIJZRPQZRRPG-AWEZNQCLSA-N 1 0 282.340 1.514 20 5 CDBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000341984809 130209384 /nfs/dbraw/zinc/20/93/84/130209384.db2.gz MBRKAJNZASDSIT-MFKMUULPSA-N 1 0 277.324 1.409 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000191721680 130288070 /nfs/dbraw/zinc/28/80/70/130288070.db2.gz BYAISGVIHRLXRX-UHFFFAOYSA-N 1 0 295.339 1.593 20 5 CDBDRO C[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000191993962 130345004 /nfs/dbraw/zinc/34/50/04/130345004.db2.gz DUVNZWWDBWFNIM-ZJUUUORDSA-N 1 0 280.328 1.106 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1CN(C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000452184561 391828493 /nfs/dbraw/zinc/82/84/93/391828493.db2.gz ULTOFUXMABZUAL-GWCFXTLKSA-N 1 0 293.323 1.103 20 5 CDBDRO Cc1cc(NC[C@](C)(O)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000228669552 391930941 /nfs/dbraw/zinc/93/09/41/391930941.db2.gz OZCYGPUIRZTAFR-ZDUSSCGKSA-N 1 0 267.329 1.628 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CC2)c1 ZINC000416299527 391983267 /nfs/dbraw/zinc/98/32/67/391983267.db2.gz GKLNLKCCOZHLRN-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO CCc1ccc(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000237138144 131007014 /nfs/dbraw/zinc/00/70/14/131007014.db2.gz WIFIROBCHXCACK-GHMZBOCLSA-N 1 0 291.351 1.980 20 5 CDBDRO Cc1sc(C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262832856 131266244 /nfs/dbraw/zinc/26/62/44/131266244.db2.gz VNFFBPLYGRHJOY-SFYZADRCSA-N 1 0 283.353 1.787 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000262969200 131276883 /nfs/dbraw/zinc/27/68/83/131276883.db2.gz XJBFBAXXWJPCEK-WDEREUQCSA-N 1 0 293.323 1.230 20 5 CDBDRO C[C@H]1[C@@H](C)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000419373476 392891773 /nfs/dbraw/zinc/89/17/73/392891773.db2.gz OICILMANOQWBLB-GMTAPVOTSA-N 1 0 252.318 1.768 20 5 CDBDRO C[C@H]1[C@@H](C)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000419369100 392892161 /nfs/dbraw/zinc/89/21/61/392892161.db2.gz HBFZMMBKCPFQJT-GMTAPVOTSA-N 1 0 252.318 1.768 20 5 CDBDRO CCOC(=O)c1ccnc(NC[C@@H](C)C[NH2+]C)c1[N+](=O)[O-] ZINC000420215451 392905367 /nfs/dbraw/zinc/90/53/67/392905367.db2.gz WFXKDRWCRALMKQ-VIFPVBQESA-N 1 0 296.327 1.434 20 5 CDBDRO C[NH2+]CCN(C)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000420225130 392907222 /nfs/dbraw/zinc/90/72/22/392907222.db2.gz HYAXIMDNLQLNGK-UHFFFAOYSA-N 1 0 250.302 1.218 20 5 CDBDRO C[NH2+][C@H](C)Cc1noc(-c2cccc([N+](=O)[O-])c2OC)n1 ZINC000521873794 392869984 /nfs/dbraw/zinc/86/99/84/392869984.db2.gz ONUNQZINEYMMAD-MRVPVSSYSA-N 1 0 292.295 1.804 20 5 CDBDRO CC[NH2+]CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418328082 392880759 /nfs/dbraw/zinc/88/07/59/392880759.db2.gz RJKXQLYABKHVBT-UHFFFAOYSA-N 1 0 292.339 1.272 20 5 CDBDRO CNc1ccc(C(=O)NCC[NH2+]C(C)(C)C)cc1[N+](=O)[O-] ZINC000525248234 392924073 /nfs/dbraw/zinc/92/40/73/392924073.db2.gz NGMYGJROTHKJCI-UHFFFAOYSA-N 1 0 294.355 1.754 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000269302021 132151860 /nfs/dbraw/zinc/15/18/60/132151860.db2.gz XVRXSKLFRUMEGA-SNVBAGLBSA-N 1 0 281.312 1.073 20 5 CDBDRO Cc1c(CN[C@H]2C[NH2+]CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000423079909 392958715 /nfs/dbraw/zinc/95/87/15/392958715.db2.gz RMQTUQGPEBUTTO-GWCFXTLKSA-N 1 0 263.341 1.991 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)CCC[NH3+] ZINC000423677398 392967142 /nfs/dbraw/zinc/96/71/42/392967142.db2.gz HLTJQBQFPFMENZ-SNVBAGLBSA-N 1 0 295.339 1.851 20 5 CDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)[C@@H]2C1 ZINC000425048859 392985545 /nfs/dbraw/zinc/98/55/45/392985545.db2.gz CXGLOCIAVJJSDI-GXSJLCMTSA-N 1 0 278.312 1.089 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@](C)(O)C1 ZINC000430197333 393091678 /nfs/dbraw/zinc/09/16/78/393091678.db2.gz UVAVMBYLHNZCDQ-CYBMUJFWSA-N 1 0 266.297 1.560 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000080390457 393039879 /nfs/dbraw/zinc/03/98/79/393039879.db2.gz PTIRTDZLCWSIDX-CMDGGOBGSA-N 1 0 277.324 1.628 20 5 CDBDRO C[C@@H](CO)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449094552 393129201 /nfs/dbraw/zinc/12/92/01/393129201.db2.gz SBZZMHIHOJQSPN-GHMZBOCLSA-N 1 0 252.314 1.744 20 5 CDBDRO COC(=O)COC[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000449276114 393132170 /nfs/dbraw/zinc/13/21/70/393132170.db2.gz ATGKTLSJAVJGQX-JTQLQIEISA-N 1 0 296.323 1.571 20 5 CDBDRO C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000449584942 393136001 /nfs/dbraw/zinc/13/60/01/393136001.db2.gz DXVKAEZZSYXBLY-VHSXEESVSA-N 1 0 265.313 1.379 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000449642742 393137803 /nfs/dbraw/zinc/13/78/03/393137803.db2.gz XUDICOPVBKZXTR-STQMWFEESA-N 1 0 291.351 1.771 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])c(N)c3F)C[C@H]2C1 ZINC000278820133 393143832 /nfs/dbraw/zinc/14/38/32/393143832.db2.gz TVAWFOYYQFTCQT-DTORHVGOSA-N 1 0 280.303 1.314 20 5 CDBDRO C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCC[NH2+]C1 ZINC000128958176 139812299 /nfs/dbraw/zinc/81/22/99/139812299.db2.gz RQOBSVAEFZDTEC-GFCCVEGCSA-N 1 0 266.301 1.042 20 5 CDBDRO C[C@@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000135237582 139885876 /nfs/dbraw/zinc/88/58/76/139885876.db2.gz CRGROYUGPIMEFA-BXUZGUMPSA-N 1 0 291.351 1.723 20 5 CDBDRO COc1ccc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000189307877 140112117 /nfs/dbraw/zinc/11/21/17/140112117.db2.gz QITRQLMVTWDBFH-MWLCHTKSSA-N 1 0 293.323 1.474 20 5 CDBDRO COc1cc(NC[C@H]2CCC[NH2+]2)c(F)cc1[N+](=O)[O-] ZINC000227860023 140188605 /nfs/dbraw/zinc/18/86/05/140188605.db2.gz HYUHVUHTWKOSTR-MRVPVSSYSA-N 1 0 269.276 1.906 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000229584821 140202382 /nfs/dbraw/zinc/20/23/82/140202382.db2.gz VBHOXLRWILEFSW-PRHODGIISA-N 1 0 281.287 1.604 20 5 CDBDRO CC1(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000229625083 140203392 /nfs/dbraw/zinc/20/33/92/140203392.db2.gz AQPHELHTRQQRHQ-UHFFFAOYSA-N 1 0 278.312 1.858 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000232233541 140220691 /nfs/dbraw/zinc/22/06/91/140220691.db2.gz PJCUOOOULOABOG-GFCCVEGCSA-N 1 0 277.324 1.775 20 5 CDBDRO CCc1nn(C)c(N2C[C@H](C[NH3+])C[C@H]2C)c1[N+](=O)[O-] ZINC000250124680 140301879 /nfs/dbraw/zinc/30/18/79/140301879.db2.gz ANBDWCXUNOEGLF-BDAKNGLRSA-N 1 0 267.333 1.064 20 5 CDBDRO O=[N+]([O-])c1cccnc1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252667534 140321295 /nfs/dbraw/zinc/32/12/95/140321295.db2.gz LBJPOVMQVYBFOY-WDEREUQCSA-N 1 0 278.312 1.265 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000252844314 140326521 /nfs/dbraw/zinc/32/65/21/140326521.db2.gz BSNAVDTYGMAOFZ-JKOKRWQUSA-N 1 0 262.309 1.798 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261596948 140360535 /nfs/dbraw/zinc/36/05/35/140360535.db2.gz ZIVFMWFPHNKVJZ-LBPRGKRZSA-N 1 0 279.340 1.627 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000261721525 140380540 /nfs/dbraw/zinc/38/05/40/140380540.db2.gz KFLLNEOKMDZQEE-LBPRGKRZSA-N 1 0 293.352 1.775 20 5 CDBDRO C[C@]1(C[NH3+])CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000261748005 140384674 /nfs/dbraw/zinc/38/46/74/140384674.db2.gz MQDMZTIRXLFROR-CYBMUJFWSA-N 1 0 281.287 1.545 20 5 CDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261782435 140388792 /nfs/dbraw/zinc/38/87/92/140388792.db2.gz WYXSAGNZZWUISM-MWLCHTKSSA-N 1 0 293.298 1.415 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000261805245 140392072 /nfs/dbraw/zinc/39/20/72/140392072.db2.gz RUZRZPPWXRBCRF-AWEZNQCLSA-N 1 0 277.324 1.714 20 5 CDBDRO C[C@]1(C[NH3+])CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000261825621 140395162 /nfs/dbraw/zinc/39/51/62/140395162.db2.gz UJJSZJJDAOXWJY-CYBMUJFWSA-N 1 0 278.312 1.797 20 5 CDBDRO COc1cc(N2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000127388652 147554171 /nfs/dbraw/zinc/55/41/71/147554171.db2.gz QSJAATWLPGYZDA-NXEZZACHSA-N 1 0 265.313 1.777 20 5 CDBDRO CC[N@H+](C)C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176285706 148035447 /nfs/dbraw/zinc/03/54/47/148035447.db2.gz MXAOEYGMWZZOQS-GFCCVEGCSA-N 1 0 281.360 1.065 20 5 CDBDRO CSc1ccc(C(=O)NCC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000178673275 148072370 /nfs/dbraw/zinc/07/23/70/148072370.db2.gz IPDXBOCROQOXNL-QMMMGPOBSA-N 1 0 283.353 1.784 20 5 CDBDRO C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000262085147 149013557 /nfs/dbraw/zinc/01/35/57/149013557.db2.gz UEEIOHMGDWSAIM-CBHWHFHUSA-N 1 0 261.325 1.887 20 5 CDBDRO [NH3+][C@@H](CC(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000311019151 149207616 /nfs/dbraw/zinc/20/76/16/149207616.db2.gz NSVWESGIRPDGCM-QMMMGPOBSA-N 1 0 259.212 1.516 20 5 CDBDRO C[C@H]([NH2+][C@H]1COC[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC000323255852 149264097 /nfs/dbraw/zinc/26/40/97/149264097.db2.gz FQVOKDHIKIJUOG-PTOFAABTSA-N 1 0 252.270 1.005 20 5 CDBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000334008567 149298542 /nfs/dbraw/zinc/29/85/42/149298542.db2.gz UZIXNTRLTLYMHT-VHSXEESVSA-N 1 0 295.343 1.168 20 5 CDBDRO COc1cc(C[N@H+]2CC[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000352545440 155262660 /nfs/dbraw/zinc/26/26/60/155262660.db2.gz ISXVMFYPIQDINN-NSHDSACASA-N 1 0 266.297 1.824 20 5 CDBDRO C[C@@H]1[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343516080 152208348 /nfs/dbraw/zinc/20/83/48/152208348.db2.gz KNIUTDNPKHPKBK-YPMHNXCESA-N 1 0 291.351 1.736 20 5 CDBDRO COc1cc(CN2CCC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000346680584 153269732 /nfs/dbraw/zinc/26/97/32/153269732.db2.gz BWKIKFGALGMQQF-UHFFFAOYSA-N 1 0 295.339 1.407 20 5 CDBDRO COc1c(C(=O)NCC(C)(C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000353530588 155922568 /nfs/dbraw/zinc/92/25/68/155922568.db2.gz CESDUGZJLASBRQ-UHFFFAOYSA-N 1 0 295.339 1.673 20 5 CDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000353996768 156212943 /nfs/dbraw/zinc/21/29/43/156212943.db2.gz IQJUVKKMPYDQTL-JTQLQIEISA-N 1 0 295.314 1.900 20 5 CDBDRO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354072578 156253330 /nfs/dbraw/zinc/25/33/30/156253330.db2.gz JGXRNVHQKMWROJ-WRWORJQWSA-N 1 0 291.311 1.205 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](C[NH+](C)C)C1 ZINC000360901797 158665957 /nfs/dbraw/zinc/66/59/57/158665957.db2.gz PCXBSDRVLUPXTN-NSHDSACASA-N 1 0 281.360 1.508 20 5 CDBDRO C[C@@H]([NH2+]CC(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000037207845 173029479 /nfs/dbraw/zinc/02/94/79/173029479.db2.gz RZUNGHKVMVYXGZ-SECBINFHSA-N 1 0 251.286 1.334 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc([C@H]3C[NH2+]CCO3)n2)cc1 ZINC000043705263 175099269 /nfs/dbraw/zinc/09/92/69/175099269.db2.gz JSKJKZILNDWOLT-SNVBAGLBSA-N 1 0 276.252 1.306 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])s1 ZINC000044501716 175185763 /nfs/dbraw/zinc/18/57/63/175185763.db2.gz BHWHESMWESWNRK-MRVPVSSYSA-N 1 0 269.326 1.386 20 5 CDBDRO COc1ccc(C(=O)N2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000044541955 175201726 /nfs/dbraw/zinc/20/17/26/175201726.db2.gz YGQJXCJEPOBVEZ-NSHDSACASA-N 1 0 293.323 1.557 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000071397078 176150606 /nfs/dbraw/zinc/15/06/06/176150606.db2.gz NFOACRCZXVPFGY-LLVKDONJSA-N 1 0 263.297 1.385 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000214354623 260287758 /nfs/dbraw/zinc/28/77/58/260287758.db2.gz GABWSKHSPOBJJQ-OMMCCPJFSA-N 1 0 263.297 1.462 20 5 CDBDRO [NH3+][C@H]1C[C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000518980948 265273781 /nfs/dbraw/zinc/27/37/81/265273781.db2.gz ZGNGTJAZEQEBNV-DTORHVGOSA-N 1 0 283.715 1.602 20 5 CDBDRO [NH3+][C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000399029038 270367832 /nfs/dbraw/zinc/36/78/32/270367832.db2.gz KZGXKZUDYNKWMV-ZDUSSCGKSA-N 1 0 277.324 1.381 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CC3(CCC3)C2)c1 ZINC000459438478 270396389 /nfs/dbraw/zinc/39/63/89/270396389.db2.gz HQZBLKXJFHDGNA-UHFFFAOYSA-N 1 0 250.302 1.714 20 5 CDBDRO CC(C)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000516324361 270469385 /nfs/dbraw/zinc/46/93/85/270469385.db2.gz VJDXLRDBTKPMKO-UHFFFAOYSA-N 1 0 294.355 1.347 20 5 CDBDRO CC(C)(CC(N)=O)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444690738 273504558 /nfs/dbraw/zinc/50/45/58/273504558.db2.gz UYZZXIKWEMOYPJ-UHFFFAOYSA-N 1 0 291.311 1.215 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C)[NH+](C)C ZINC000091555077 273782752 /nfs/dbraw/zinc/78/27/52/273782752.db2.gz HCPSFNOWZPNIHS-QMMMGPOBSA-N 1 0 255.322 1.482 20 5 CDBDRO C[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccc([N+](=O)[O-])cc1 ZINC000453418675 274251408 /nfs/dbraw/zinc/25/14/08/274251408.db2.gz YQIRXOGIQVWHKN-YGRLFVJLSA-N 1 0 277.324 1.914 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264572270 275012786 /nfs/dbraw/zinc/01/27/86/275012786.db2.gz SLVWRHKZODQCMS-NSHDSACASA-N 1 0 293.323 1.888 20 5 CDBDRO CN(C(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000135228378 276746774 /nfs/dbraw/zinc/74/67/74/276746774.db2.gz JPCQVJYHYYBXBQ-SECBINFHSA-N 1 0 267.260 1.168 20 5 CDBDRO CN(c1nc2ccccc2cc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000420265419 277004101 /nfs/dbraw/zinc/00/41/01/277004101.db2.gz VEWFKVSNDLDDMA-UHFFFAOYSA-N 1 0 258.281 1.551 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000128382806 277028417 /nfs/dbraw/zinc/02/84/17/277028417.db2.gz BQSBJADHANRWQC-ZDUSSCGKSA-N 1 0 279.340 1.787 20 5 CDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000119032487 277157659 /nfs/dbraw/zinc/15/76/59/277157659.db2.gz IUXPNDVFEDICTP-GHMZBOCLSA-N 1 0 293.323 1.744 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3c(F)cc([N+](=O)[O-])cc3F)C[C@H]2C1 ZINC000278734243 277198926 /nfs/dbraw/zinc/19/89/26/277198926.db2.gz LCLSTDJFAWRGAD-DTORHVGOSA-N 1 0 283.278 1.871 20 5 CDBDRO C[NH+]1C[C@H]2CN(c3c(F)cccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000343055545 277206396 /nfs/dbraw/zinc/20/63/96/277206396.db2.gz UHZURSHFXACVGN-UWVGGRQHSA-N 1 0 265.288 1.732 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000127685541 277278125 /nfs/dbraw/zinc/27/81/25/277278125.db2.gz WEJKCWVIMKNVSS-NSHDSACASA-N 1 0 277.324 1.727 20 5 CDBDRO C[C@H]1CCN(c2ncccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000253196588 278371130 /nfs/dbraw/zinc/37/11/30/278371130.db2.gz SYLWWGIGDNEHOQ-VHSXEESVSA-N 1 0 250.302 1.411 20 5 CDBDRO C[C@H]1C[NH2+]CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000054369370 279907096 /nfs/dbraw/zinc/90/70/96/279907096.db2.gz UIQIFJISTNYXKC-QMMMGPOBSA-N 1 0 267.260 1.168 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000216175942 280088085 /nfs/dbraw/zinc/08/80/85/280088085.db2.gz SWWPNAINXAKPCF-SFYZADRCSA-N 1 0 281.341 1.478 20 5 CDBDRO [NH3+]CC1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000217481951 280088816 /nfs/dbraw/zinc/08/88/16/280088816.db2.gz XXNPNGIRAZVHPI-PLNGDYQASA-N 1 0 289.335 1.805 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000230677706 280117877 /nfs/dbraw/zinc/11/78/77/280117877.db2.gz ZCMODAYFLGUXJR-VXGBXAGGSA-N 1 0 280.324 1.854 20 5 CDBDRO C[C@]1(F)C[NH2+]CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000420344389 280164076 /nfs/dbraw/zinc/16/40/76/280164076.db2.gz YBPNXPFMPHYKJY-AWEZNQCLSA-N 1 0 281.331 1.771 20 5 CDBDRO C[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000292909597 288260515 /nfs/dbraw/zinc/26/05/15/288260515.db2.gz XJGKJVVUDJGMPL-AOOOYVTPSA-N 1 0 292.339 1.223 20 5 CDBDRO Cc1cccc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC000089091385 281194545 /nfs/dbraw/zinc/19/45/45/281194545.db2.gz XIPQKFDTQPNOIT-CMPLNLGQSA-N 1 0 277.324 1.760 20 5 CDBDRO O=c1c([N+](=O)[O-])cc(Cl)cn1CCn1ccnc1 ZINC000158673698 289315225 /nfs/dbraw/zinc/31/52/25/289315225.db2.gz YHBYPIWBSPPDOP-UHFFFAOYSA-N 1 0 268.660 1.307 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000556729583 290289211 /nfs/dbraw/zinc/28/92/11/290289211.db2.gz GQTDQPCLFPKTKY-GFCCVEGCSA-N 1 0 277.324 1.471 20 5 CDBDRO [NH3+][C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000564823629 293423187 /nfs/dbraw/zinc/42/31/87/293423187.db2.gz MIEODYFNMPEUTN-ZDUSSCGKSA-N 1 0 293.323 1.217 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]CC2Cc3ccccc3C2)c1 ZINC000568336975 294016113 /nfs/dbraw/zinc/01/61/13/294016113.db2.gz NIGPPXXKPMFNBM-UHFFFAOYSA-N 1 0 286.335 1.796 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000568512255 294050110 /nfs/dbraw/zinc/05/01/10/294050110.db2.gz REDGVGKOAIIEBT-JOYOIKCWSA-N 1 0 275.308 1.482 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000568739510 294090769 /nfs/dbraw/zinc/09/07/69/294090769.db2.gz LLMYLFYBYUZVDK-VXGBXAGGSA-N 1 0 293.371 1.435 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC(CC[NH3+])CC1 ZINC000571695903 294488782 /nfs/dbraw/zinc/48/87/82/294488782.db2.gz CDDMLUOLLSVALL-UHFFFAOYSA-N 1 0 292.339 1.378 20 5 CDBDRO CO[C@@H](C)[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572476911 294629009 /nfs/dbraw/zinc/62/90/09/294629009.db2.gz RIQZVZDPKFEEPM-WOPDTQHZSA-N 1 0 298.339 1.348 20 5 CDBDRO COc1cccc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000573606149 294851433 /nfs/dbraw/zinc/85/14/33/294851433.db2.gz XLYKLKOGUDMKMR-UWVGGRQHSA-N 1 0 293.323 1.474 20 5 CDBDRO C[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000574601479 295025920 /nfs/dbraw/zinc/02/59/20/295025920.db2.gz ZMXVGDMWWJKTPF-JGPRNRPPSA-N 1 0 268.317 1.337 20 5 CDBDRO CC[N@H+](C)C[C@@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000563352564 316263434 /nfs/dbraw/zinc/26/34/34/316263434.db2.gz JFVCGJMDASAHHH-RISCZKNCSA-N 1 0 281.356 1.558 20 5 CDBDRO CN1C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1=O ZINC000563419425 316304452 /nfs/dbraw/zinc/30/44/52/316304452.db2.gz UYKRRXTVZPBOBS-CABZTGNLSA-N 1 0 275.308 1.402 20 5 CDBDRO O=C(CC[NH2+]C[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000569827190 316858717 /nfs/dbraw/zinc/85/87/17/316858717.db2.gz KMSVDBKQHVJIEH-NSHDSACASA-N 1 0 293.323 1.692 20 5 CDBDRO CC(C)(O)CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000575175777 316971978 /nfs/dbraw/zinc/97/19/78/316971978.db2.gz QZSXAMXFARWAIH-LLVKDONJSA-N 1 0 298.339 1.085 20 5 CDBDRO CC[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181678518 323242036 /nfs/dbraw/zinc/24/20/36/323242036.db2.gz NCVSPQICXNHKGQ-SNVBAGLBSA-N 1 0 254.286 1.286 20 5 CDBDRO Cc1c(C(=O)N[C@@H](C)[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000381339663 323625326 /nfs/dbraw/zinc/62/53/26/323625326.db2.gz DVQSDLNGIZOKNX-IUCAKERBSA-N 1 0 251.286 1.369 20 5 CDBDRO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000580431701 324461382 /nfs/dbraw/zinc/46/13/82/324461382.db2.gz XWSWZVUGYRBFFQ-SRVKXCTJSA-N 1 0 298.339 1.084 20 5 CDBDRO Cc1c([N+](=O)[O-])ccc(=O)n1C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000581546587 324776227 /nfs/dbraw/zinc/77/62/27/324776227.db2.gz WJIVPACNOOVRJU-HAQNSBGRSA-N 1 0 279.340 1.830 20 5 CDBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[C@H]1[NH3+] ZINC000582350865 324957610 /nfs/dbraw/zinc/95/76/10/324957610.db2.gz MYVSBSGNFAKETE-OIBJUYFYSA-N 1 0 254.265 1.302 20 5 CDBDRO COc1cc(C(=O)N2CCC([NH3+])CC2)cc([N+](=O)[O-])c1C ZINC000584409217 329459548 /nfs/dbraw/zinc/45/95/48/329459548.db2.gz SDPIEHIHPGXMSH-UHFFFAOYSA-N 1 0 293.323 1.475 20 5 CDBDRO Cc1ccnc(N2C[C@@H](C[NH3+])CC[C@H]2C)c1[N+](=O)[O-] ZINC000227078016 1160034164 /nfs/dbraw/zinc/03/41/64/1160034164.db2.gz YQWIRCXDZYXBFD-GHMZBOCLSA-N 1 0 264.329 1.862 20 5 CDBDRO CC[N@H+](C)CCNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000049320530 520241755 /nfs/dbraw/zinc/24/17/55/520241755.db2.gz TWIJVOKGJMIUBP-UHFFFAOYSA-N 1 0 280.328 1.318 20 5 CDBDRO CCC[N@H+](CC)C[C@H](C)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000357775912 521613094 /nfs/dbraw/zinc/61/30/94/521613094.db2.gz RWEYULSHUUJTGU-VIFPVBQESA-N 1 0 282.348 1.330 20 5 CDBDRO Cc1c(CNC(=O)N2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000418077967 533852664 /nfs/dbraw/zinc/85/26/64/533852664.db2.gz IWFWPCSSUACTHZ-UHFFFAOYSA-N 1 0 292.339 1.408 20 5 CDBDRO [NH3+]Cc1cccn1-c1nc(Cl)ncc1[N+](=O)[O-] ZINC001156724082 1162032994 /nfs/dbraw/zinc/03/29/94/1162032994.db2.gz WADWDKSZFIDBMV-UHFFFAOYSA-N 1 0 253.649 1.288 20 5 CDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[NH+](C)C ZINC000340070260 519655426 /nfs/dbraw/zinc/65/54/26/519655426.db2.gz UMROTRJDYNDLEH-UHFFFAOYSA-N 1 0 279.340 1.893 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000236825198 519917238 /nfs/dbraw/zinc/91/72/38/519917238.db2.gz OXBTYJCDBGROHT-UHFFFAOYSA-N 1 0 295.339 1.723 20 5 CDBDRO CC[NH+](CC)[C@@H](C)CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341552772 520828944 /nfs/dbraw/zinc/82/89/44/520828944.db2.gz UBGSXBPNMOAACP-JTQLQIEISA-N 1 0 294.355 1.836 20 5 CDBDRO CCS(=O)(=O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926361 521643028 /nfs/dbraw/zinc/64/30/28/521643028.db2.gz PUQPAVFHARCXQS-UHFFFAOYSA-N 1 0 272.326 1.119 20 5 CDBDRO C[NH2+]CC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000063166397 521977526 /nfs/dbraw/zinc/97/75/26/521977526.db2.gz WMOZPSFOEZBZBR-UHFFFAOYSA-N 1 0 250.302 1.426 20 5 CDBDRO CC[C@](C)(O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000187330639 523495071 /nfs/dbraw/zinc/49/50/71/523495071.db2.gz DODQQTIZAXAXPO-HNNXBMFYSA-N 1 0 293.367 1.878 20 5 CDBDRO COCC[N@H+](C)CCNc1ccccc1[N+](=O)[O-] ZINC000061379501 523615044 /nfs/dbraw/zinc/61/50/44/523615044.db2.gz FLGSFCAIKIQRED-UHFFFAOYSA-N 1 0 253.302 1.585 20 5 CDBDRO CN(C)C(=O)CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444003 523983271 /nfs/dbraw/zinc/98/32/71/523983271.db2.gz SBODTBKIIUEDOW-UHFFFAOYSA-N 1 0 285.731 1.816 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000050709916 524159800 /nfs/dbraw/zinc/15/98/00/524159800.db2.gz PAGZVTJSGQBPSA-SECBINFHSA-N 1 0 280.328 1.247 20 5 CDBDRO C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000235651453 524513321 /nfs/dbraw/zinc/51/33/21/524513321.db2.gz IRLKJRBNKGPIKP-KWQFWETISA-N 1 0 264.285 1.406 20 5 CDBDRO Cn1c(C(=O)N2CCC[C@@H](CC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000070170159 527041033 /nfs/dbraw/zinc/04/10/33/527041033.db2.gz LZLXLLKZPJNCOP-JTQLQIEISA-N 1 0 280.328 1.134 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ncnc1N[C@H]1C[NH+]2CCC1CC2 ZINC000050454902 527320248 /nfs/dbraw/zinc/32/02/48/527320248.db2.gz NQOLDABDVKBMGK-QMMMGPOBSA-N 1 0 283.719 1.544 20 5 CDBDRO Cn1cnc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000148918798 527482669 /nfs/dbraw/zinc/48/26/69/527482669.db2.gz CDEMOOXSPOXTPC-UHFFFAOYSA-N 1 0 295.730 1.709 20 5 CDBDRO CC(C)[C@@H](CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411507844 528482220 /nfs/dbraw/zinc/48/22/20/528482220.db2.gz RJVIKIPSIQDRDC-GFCCVEGCSA-N 1 0 295.339 1.530 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000417125684 536372317 /nfs/dbraw/zinc/37/23/17/536372317.db2.gz BNGYPRRCCRQHJF-CMPLNLGQSA-N 1 0 292.339 1.659 20 5 CDBDRO COc1ccc(C(=O)NC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000189331244 536737508 /nfs/dbraw/zinc/73/75/08/536737508.db2.gz DYTTUTVAHWCYCV-UHFFFAOYSA-N 1 0 293.323 1.475 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)CC[NH3+] ZINC000417169033 536953902 /nfs/dbraw/zinc/95/39/02/536953902.db2.gz BHYWNTQSSPSPTG-SECBINFHSA-N 1 0 296.327 1.140 20 5 CDBDRO C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000761069292 576540859 /nfs/dbraw/zinc/54/08/59/576540859.db2.gz JSLLPGLQWPLXAN-GFCCVEGCSA-N 1 0 279.340 1.610 20 5 CDBDRO C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000761077572 576543277 /nfs/dbraw/zinc/54/32/77/576543277.db2.gz MOSSAPBDNVYKPV-NSHDSACASA-N 1 0 292.339 1.169 20 5 CDBDRO O=[N+]([O-])c1c(N2CC[C@H]([NH+]3CC=CC3)C2)nc2ccccn21 ZINC000742416484 576601460 /nfs/dbraw/zinc/60/14/60/576601460.db2.gz YZPMOZHSOJQYHW-LBPRGKRZSA-N 1 0 299.334 1.693 20 5 CDBDRO O=C(CC[NH2+][C@@H](CO)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000763067681 576707631 /nfs/dbraw/zinc/70/76/31/576707631.db2.gz JUURMCRGNIIVMU-LBPRGKRZSA-N 1 0 293.323 1.284 20 5 CDBDRO C[C@H]([NH2+][C@@H](CO)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000763069016 576708175 /nfs/dbraw/zinc/70/81/75/576708175.db2.gz NZCCAQSQSABUSO-CABZTGNLSA-N 1 0 293.323 1.282 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)c2ccco2)c1 ZINC000749670296 576956875 /nfs/dbraw/zinc/95/68/75/576956875.db2.gz KOIIMUFHGUCRDH-CHWSQXEVSA-N 1 0 292.291 1.544 20 5 CDBDRO Cc1nc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)sc1C ZINC000893133391 617402222 /nfs/dbraw/zinc/40/22/22/617402222.db2.gz DCQHSCJQGVZRPZ-UHFFFAOYSA-N 1 0 281.341 1.654 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NCCC[NH+]1CCCCC1 ZINC000891592392 617495603 /nfs/dbraw/zinc/49/56/03/617495603.db2.gz NLIBAOWOICYHEJ-UHFFFAOYSA-N 1 0 267.333 1.616 20 5 CDBDRO C[C@@H](CNc1c([N+](=O)[O-])cnn1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000891829646 617624592 /nfs/dbraw/zinc/62/45/92/617624592.db2.gz HCQKNIAOFIKZBL-MNOVXSKESA-N 1 0 281.360 1.861 20 5 CDBDRO CC[NH+](CC)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2OC)C1 ZINC000892728368 617669298 /nfs/dbraw/zinc/66/92/98/617669298.db2.gz BAHGHARZJXCISB-NSHDSACASA-N 1 0 294.355 1.919 20 5 CDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000893936085 618195360 /nfs/dbraw/zinc/19/53/60/618195360.db2.gz VEFSWYLUQUCHCZ-ZANVPECISA-N 1 0 292.295 1.643 20 5 CDBDRO C[N@@H+]1C[C@@H]2CCN(c3ncnc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000893940748 618203483 /nfs/dbraw/zinc/20/34/83/618203483.db2.gz PPKLKTYMIFCJSU-IINYFYTJSA-N 1 0 299.334 1.678 20 5 CDBDRO C[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[NH+](C)C ZINC000804344977 618479748 /nfs/dbraw/zinc/47/97/48/618479748.db2.gz DLFQHLSPIMXYOI-QMMMGPOBSA-N 1 0 268.273 1.865 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCC[C@H]2OC)c1[N+](=O)[O-] ZINC000894731051 619032397 /nfs/dbraw/zinc/03/23/97/619032397.db2.gz YYHMTPGAGKSOLC-ZYHUDNBSSA-N 1 0 296.323 1.966 20 5 CDBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)[C@H]1C[N@H+](C)CCN1C ZINC000895245407 619487090 /nfs/dbraw/zinc/48/70/90/619487090.db2.gz ASXSLXJZOAKESP-QMTHXVAHSA-N 1 0 296.346 1.780 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC([NH+]2CCCC2)C1 ZINC000898615792 621821806 /nfs/dbraw/zinc/82/18/06/621821806.db2.gz BDXFRUYNPXGQLP-UHFFFAOYSA-N 1 0 289.335 1.444 20 5 CDBDRO CC(C)OCc1ccccc1C[NH2+]CC[N+](=O)[O-] ZINC000899867068 622492534 /nfs/dbraw/zinc/49/25/34/622492534.db2.gz SQGWKVCKXPTZPU-UHFFFAOYSA-N 1 0 252.314 1.978 20 5 CDBDRO C[N@@H+]1CC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000902933275 625658686 /nfs/dbraw/zinc/65/86/86/625658686.db2.gz IYOJJKXGZRYHNG-NSHDSACASA-N 1 0 264.285 1.420 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000905215780 626695825 /nfs/dbraw/zinc/69/58/25/626695825.db2.gz OPYWZJDCUBKRGI-STQMWFEESA-N 1 0 250.298 1.773 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000905215535 626695880 /nfs/dbraw/zinc/69/58/80/626695880.db2.gz NUJZASZAKFOAFR-UHFFFAOYSA-N 1 0 265.313 1.078 20 5 CDBDRO CC[C@]1(C[NH2+]CC[N+](=O)[O-])OCCc2ccccc21 ZINC000905259581 626709915 /nfs/dbraw/zinc/70/99/15/626709915.db2.gz FJOJXKFWFIKIFS-CQSZACIVSA-N 1 0 264.325 1.731 20 5 CDBDRO CC(C)(C)OC(=O)N1CCC2(C[C@@H]2[NH2+]CC[N+](=O)[O-])CC1 ZINC000905264244 626713220 /nfs/dbraw/zinc/71/32/20/626713220.db2.gz TYXVASOXHHTICI-NSHDSACASA-N 1 0 299.371 1.642 20 5 CDBDRO C[NH2+]C[C@H]1CCCCN1c1ncc([N+](=O)[O-])cc1F ZINC000905653674 626901310 /nfs/dbraw/zinc/90/13/10/626901310.db2.gz YAGMXZIIUTZVAN-SECBINFHSA-N 1 0 268.292 1.707 20 5 CDBDRO C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000911811351 629543173 /nfs/dbraw/zinc/54/31/73/629543173.db2.gz OEKQEMDBERPGGO-HONMWMINSA-N 1 0 289.335 1.519 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000157654713 630605313 /nfs/dbraw/zinc/60/53/13/630605313.db2.gz NCGZICQFZCXDBT-UHFFFAOYSA-N 1 0 285.731 1.930 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@@H+]1C ZINC000157694772 630609533 /nfs/dbraw/zinc/60/95/33/630609533.db2.gz HOOXQJYSIYLOFH-ZJUUUORDSA-N 1 0 295.314 1.946 20 5 CDBDRO O=[N+]([O-])CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000930060170 632510731 /nfs/dbraw/zinc/51/07/31/632510731.db2.gz GMICSHJNTAXTGO-DGCLKSJQSA-N 1 0 253.346 1.212 20 5 CDBDRO C[NH+]1CC(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001170254540 1162326177 /nfs/dbraw/zinc/32/61/77/1162326177.db2.gz PNRSOGCYYNXRBQ-UHFFFAOYSA-N 1 0 290.245 1.982 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCNC2=O)c([N+](=O)[O-])c1 ZINC001170299147 1162328806 /nfs/dbraw/zinc/32/88/06/1162328806.db2.gz RCPAPLFMLRSANA-BXKDBHETSA-N 1 0 293.323 1.013 20 5 CDBDRO C[C@@H]1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)C[C@H](C)[NH2+]1 ZINC001158180770 1162764292 /nfs/dbraw/zinc/76/42/92/1162764292.db2.gz ZUZDDQBPWXXOIE-DTORHVGOSA-N 1 0 275.312 1.658 20 5 CDBDRO Cc1cc(N[C@H](C)[C@H]2C[NH2+]CCO2)ncc1[N+](=O)[O-] ZINC001170566057 1162932066 /nfs/dbraw/zinc/93/20/66/1162932066.db2.gz DMOHFSGWEDHZLX-MWLCHTKSSA-N 1 0 266.301 1.087 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2[NH2+]C[C@H]3C[C@H]32)n1 ZINC001211568598 1159190758 /nfs/dbraw/zinc/19/07/58/1159190758.db2.gz NNKBZSUHEXDBHI-FKBGGTMYSA-N 1 0 291.242 1.459 20 5 CDBDRO [NH3+][C@@H]1CCc2nn(-c3cc(F)cc(F)c3[N+](=O)[O-])cc2C1 ZINC001168821553 1161988944 /nfs/dbraw/zinc/98/89/44/1161988944.db2.gz PSCXXGKGCBBHTK-SECBINFHSA-N 1 0 294.261 1.875 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cnn(CCF)c2)C1 ZINC001168998613 1161996690 /nfs/dbraw/zinc/99/66/90/1161996690.db2.gz PAHKWSRGJUVHRU-PWSUYJOCSA-N 1 0 270.308 1.388 20 5 CDBDRO C[NH2+]C[C@H](C)CNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001604892386 1163371260 /nfs/dbraw/zinc/37/12/60/1163371260.db2.gz QCCJVDLQWKYVBU-QMMMGPOBSA-N 1 0 291.315 1.042 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(-n2ccc(C[NH3+])c2)n1 ZINC001158764536 1163550806 /nfs/dbraw/zinc/55/08/06/1163550806.db2.gz RIOUXNLYUOZMGJ-UHFFFAOYSA-N 1 0 267.676 1.596 20 5 CDBDRO [NH3+][C@H]1COC[C@H]1Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001155354844 1167141063 /nfs/dbraw/zinc/14/10/63/1167141063.db2.gz UUUVCTJGMNFBSR-NWDGAFQWSA-N 1 0 274.280 1.281 20 5 CDBDRO Cc1ccnc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001155621533 1167264005 /nfs/dbraw/zinc/26/40/05/1167264005.db2.gz WVBZAALMNTWDGT-BXUZGUMPSA-N 1 0 292.339 1.621 20 5 CDBDRO Cc1ccnc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001155621534 1167264848 /nfs/dbraw/zinc/26/48/48/1167264848.db2.gz WVBZAALMNTWDGT-FZMZJTMJSA-N 1 0 292.339 1.621 20 5 CDBDRO [NH3+]CCONc1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC001164435486 1167307255 /nfs/dbraw/zinc/30/72/55/1167307255.db2.gz HDPFVGSSAPEACK-HWKANZROSA-N 1 0 257.677 1.890 20 5 CDBDRO CC[C@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)[C@@H](CC)C[NH2+]1 ZINC001573721421 1170740871 /nfs/dbraw/zinc/74/08/71/1170740871.db2.gz DHSKFGUZUHBGPS-QWRGUYRKSA-N 1 0 279.344 1.660 20 5 CDBDRO [NH3+]C1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC001574271030 1170937555 /nfs/dbraw/zinc/93/75/55/1170937555.db2.gz XPSOOVZWJQBXDZ-UHFFFAOYSA-N 1 0 288.307 1.639 20 5 CDBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001576880971 1171546326 /nfs/dbraw/zinc/54/63/26/1171546326.db2.gz JONQFVMZNHADCO-BDAKNGLRSA-N 1 0 293.298 1.621 20 5 CDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]([NH3+])CC1CC1 ZINC001578478401 1171930061 /nfs/dbraw/zinc/93/00/61/1171930061.db2.gz FHPTWVXMXFKLPY-CQSZACIVSA-N 1 0 291.351 1.723 20 5 CDBDRO CNc1ccc(C(=O)N[C@H]2C[C@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC001578755085 1171995664 /nfs/dbraw/zinc/99/56/64/1171995664.db2.gz ROYPCVXFBCPPRJ-RYUDHWBXSA-N 1 0 292.339 1.492 20 5 CDBDRO C[C@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC001579490562 1172198618 /nfs/dbraw/zinc/19/86/18/1172198618.db2.gz WHHICZOFARSHPY-ZETCQYMHSA-N 1 0 298.730 1.264 20 5 CDBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[NH2+][C@@H]2C[C@@H]21 ZINC001580812975 1172547695 /nfs/dbraw/zinc/54/76/95/1172547695.db2.gz IKHZZOKZEQXHQF-MNOVXSKESA-N 1 0 287.275 1.527 20 5 CDBDRO CC(C)[C@@H](CN(C)C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158631752 1178225833 /nfs/dbraw/zinc/22/58/33/1178225833.db2.gz JNVPGQAUNIEHOX-HUUCEWRRSA-N 1 0 295.383 1.804 20 5 CDBDRO CCCC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001753503396 1185240225 /nfs/dbraw/zinc/24/02/25/1185240225.db2.gz FJPLFBMCLPBKQI-VXGBXAGGSA-N 1 0 283.372 1.470 20 5 CDBDRO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1CC1 ZINC001754350272 1185592272 /nfs/dbraw/zinc/59/22/72/1185592272.db2.gz XLMVBFIKIDCTBL-UHFFFAOYSA-N 1 0 291.351 1.943 20 5 CDBDRO Cc1cc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)on1 ZINC000106081882 1163803834 /nfs/dbraw/zinc/80/38/34/1163803834.db2.gz IUELPQGYOLDSHB-ZDUSSCGKSA-N 1 0 277.280 1.714 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCSC2)c1 ZINC000819117286 1164196812 /nfs/dbraw/zinc/19/68/12/1164196812.db2.gz DLGYPSJASXSBFX-PWSUYJOCSA-N 1 0 268.338 1.723 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000712304552 751411804 /nfs/dbraw/zinc/41/18/04/751411804.db2.gz QMEDCFPULIIBRX-LJWDBELGSA-N 1 0 280.299 1.937 20 5 CDBDRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC000930372374 751422049 /nfs/dbraw/zinc/42/20/49/751422049.db2.gz KWCUZMPRSNUFNT-YPMHNXCESA-N 1 0 280.324 1.273 20 5 CDBDRO C[NH+]1CCC(CCNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000822934487 753333386 /nfs/dbraw/zinc/33/33/86/753333386.db2.gz FUGXSWLRQULMJK-UHFFFAOYSA-N 1 0 285.388 1.670 20 5 CDBDRO C[C@@](N)(C(=O)N1C[C@@H]2C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000876994825 751469032 /nfs/dbraw/zinc/46/90/32/751469032.db2.gz PWQVEDBHSLDCMU-RBZYPMLTSA-N 1 0 275.308 1.247 20 5 CDBDRO CC1(C)CNC(=O)[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925641326 751474847 /nfs/dbraw/zinc/47/48/47/751474847.db2.gz MVTGMTMQXBXIKU-GFCCVEGCSA-N 1 0 277.324 1.252 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000702655764 751557984 /nfs/dbraw/zinc/55/79/84/751557984.db2.gz VFDGKMJHJJCKEU-GZMMTYOYSA-N 1 0 253.277 1.655 20 5 CDBDRO Cc1c(C[NH2+]CC[C@@]2(O)CCCOC2)cccc1[N+](=O)[O-] ZINC000873134045 751606570 /nfs/dbraw/zinc/60/65/70/751606570.db2.gz WVDQPRUNVYMLTH-HNNXBMFYSA-N 1 0 294.351 1.924 20 5 CDBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CC2CCC2)CC1 ZINC001045437053 751802645 /nfs/dbraw/zinc/80/26/45/751802645.db2.gz BJGFEFDMODQSRL-CHWSQXEVSA-N 1 0 295.383 1.422 20 5 CDBDRO C[C@@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000853389914 751854657 /nfs/dbraw/zinc/85/46/57/751854657.db2.gz DKNZBFPFUJITIG-SNVBAGLBSA-N 1 0 292.339 1.590 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886011196 751950813 /nfs/dbraw/zinc/95/08/13/751950813.db2.gz WMGYFAFMSFUXHP-LLVKDONJSA-N 1 0 264.329 1.373 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000884014595 752117838 /nfs/dbraw/zinc/11/78/38/752117838.db2.gz RCRNLTQUBFBSRC-UHFFFAOYSA-N 1 0 279.340 1.941 20 5 CDBDRO C[NH+](C)CCCOC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000818797421 752122289 /nfs/dbraw/zinc/12/22/89/752122289.db2.gz KIXWPIGWBAZSQA-UHFFFAOYSA-N 1 0 295.339 1.892 20 5 CDBDRO C[NH+](C)CC(C)(C)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868823554 752172761 /nfs/dbraw/zinc/17/27/61/752172761.db2.gz BRRWZCYDCWYCPB-UHFFFAOYSA-N 1 0 297.330 1.733 20 5 CDBDRO C[C@H](Cn1cccn1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158628968 752208367 /nfs/dbraw/zinc/20/83/67/752208367.db2.gz OQFDDXJIEWAWCN-BXUZGUMPSA-N 1 0 290.323 1.503 20 5 CDBDRO C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000856795750 749383206 /nfs/dbraw/zinc/38/32/06/749383206.db2.gz IVKRKZQNOHWEDN-OSAQELSMSA-N 1 0 294.351 1.579 20 5 CDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCC(=O)O1 ZINC000852019338 749394510 /nfs/dbraw/zinc/39/45/10/749394510.db2.gz YJKVSWSUVRIKFB-CYBMUJFWSA-N 1 0 278.308 1.775 20 5 CDBDRO CCN1C[C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1=O ZINC000834889770 749461457 /nfs/dbraw/zinc/46/14/57/749461457.db2.gz JNKRPQZQXUJVGX-MWLCHTKSSA-N 1 0 292.339 1.448 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000131836250 749662021 /nfs/dbraw/zinc/66/20/21/749662021.db2.gz DSVQIKWTGWQWOP-WDEREUQCSA-N 1 0 277.324 1.333 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000882487437 749688933 /nfs/dbraw/zinc/68/89/33/749688933.db2.gz VYERAUFOHGURNR-LLVKDONJSA-N 1 0 281.287 1.558 20 5 CDBDRO COC[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000886918187 749803027 /nfs/dbraw/zinc/80/30/27/749803027.db2.gz TZLFDHMJEXTXRT-QWHCGFSZSA-N 1 0 295.339 1.521 20 5 CDBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CC[N+](=O)[O-] ZINC000791052471 749825120 /nfs/dbraw/zinc/82/51/20/749825120.db2.gz OGKVSBUJWXVUPT-AWEZNQCLSA-N 1 0 277.368 1.860 20 5 CDBDRO CC1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)COC1 ZINC000134758448 749854529 /nfs/dbraw/zinc/85/45/29/749854529.db2.gz FADLLPNMUWURQN-LBPRGKRZSA-N 1 0 266.297 1.254 20 5 CDBDRO C[C@H](NC(=O)C1([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000854678974 749884642 /nfs/dbraw/zinc/88/46/42/749884642.db2.gz NTHNCWLUGNKULP-JTQLQIEISA-N 1 0 277.324 1.866 20 5 CDBDRO COc1cccc(C[C@H]2CCC[N@@H+]2CC[N+](=O)[O-])c1 ZINC000929313618 749892403 /nfs/dbraw/zinc/89/24/03/749892403.db2.gz DVOGOVIVYSREDH-CYBMUJFWSA-N 1 0 264.325 1.979 20 5 CDBDRO COC(=O)[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000933171980 749897074 /nfs/dbraw/zinc/89/70/74/749897074.db2.gz HRZPGRHHQDEJLC-GHMZBOCLSA-N 1 0 296.327 1.065 20 5 CDBDRO CC(C)[C@H]([NH2+]CC[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000930437863 749919799 /nfs/dbraw/zinc/91/97/99/749919799.db2.gz RVBQWIYISSREAI-QWHCGFSZSA-N 1 0 252.314 1.611 20 5 CDBDRO CNC(=O)c1ccc(N2C[C@@H](C)[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000127938152 750114381 /nfs/dbraw/zinc/11/43/81/750114381.db2.gz BRPPOEVCVUGLNT-ZJUUUORDSA-N 1 0 292.339 1.141 20 5 CDBDRO C[C@@H]([NH3+])c1cn(Cc2ccc([N+](=O)[O-])c(F)c2)nn1 ZINC000124302157 750161306 /nfs/dbraw/zinc/16/13/06/750161306.db2.gz ZMKAUQQLDBYDOY-SSDOTTSWSA-N 1 0 265.248 1.393 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1C ZINC000884254178 750236915 /nfs/dbraw/zinc/23/69/15/750236915.db2.gz GLQICHMOXXMVOR-CMPLNLGQSA-N 1 0 291.351 1.939 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000715141159 750314987 /nfs/dbraw/zinc/31/49/87/750314987.db2.gz KUGUDZLSDZCQCM-MGCOHNPYSA-N 1 0 263.297 1.370 20 5 CDBDRO Cc1c(CC(=O)N[C@H]2C[C@@H]([NH3+])C2(C)C)cccc1[N+](=O)[O-] ZINC000884360175 750323612 /nfs/dbraw/zinc/32/36/12/750323612.db2.gz WOCPEYOOUSRUKS-OLZOCXBDSA-N 1 0 291.351 1.688 20 5 CDBDRO C[C@H]([NH2+]CC(C)(C)CO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597330 750345521 /nfs/dbraw/zinc/34/55/21/750345521.db2.gz TXFDBFROKLQNLE-VIFPVBQESA-N 1 0 267.329 1.846 20 5 CDBDRO Cc1nn(CN2CC[C@H]([NH+]3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000066080986 750446938 /nfs/dbraw/zinc/44/69/38/750446938.db2.gz DHHWJFDGPZPFHX-ZDUSSCGKSA-N 1 0 293.371 1.536 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135429538 750608394 /nfs/dbraw/zinc/60/83/94/750608394.db2.gz BBEZCVXFEKFTBF-CMPLNLGQSA-N 1 0 277.324 1.333 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000931039342 750806285 /nfs/dbraw/zinc/80/62/85/750806285.db2.gz QZRQXFIRCKXBHF-ZYHUDNBSSA-N 1 0 264.329 1.514 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1-c1nc([C@H]2CCC[NH2+]C2)no1 ZINC000842665692 750822822 /nfs/dbraw/zinc/82/28/22/750822822.db2.gz WABAKIXOMQTLNY-QMMMGPOBSA-N 1 0 277.284 1.450 20 5 CDBDRO C[NH+](C)C[C@H](O)CNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000717275009 750833979 /nfs/dbraw/zinc/83/39/79/750833979.db2.gz BSACPBSZDZIJCO-SECBINFHSA-N 1 0 289.282 1.867 20 5 CDBDRO COCC(COC)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000930354692 750844335 /nfs/dbraw/zinc/84/43/35/750844335.db2.gz RTQCGSQWZWFGOQ-UHFFFAOYSA-N 1 0 282.340 1.731 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H](C)[NH3+] ZINC000859613699 750850133 /nfs/dbraw/zinc/85/01/33/750850133.db2.gz OKDHHDUVXFHXAX-MRVPVSSYSA-N 1 0 282.300 1.414 20 5 CDBDRO C[C@]1([NH3+])CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000868079501 750856940 /nfs/dbraw/zinc/85/69/40/750856940.db2.gz WCAXSLVIKMOJSL-AWEZNQCLSA-N 1 0 277.324 1.477 20 5 CDBDRO C[NH2+]C(C)(C)c1cn(Cc2cc(F)ccc2[N+](=O)[O-])nn1 ZINC000881226653 750859248 /nfs/dbraw/zinc/85/92/48/750859248.db2.gz SYYVPQWDXCDGKP-UHFFFAOYSA-N 1 0 293.302 1.828 20 5 CDBDRO C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1csnn1 ZINC000819366873 751019806 /nfs/dbraw/zinc/01/98/06/751019806.db2.gz ASMOUUWWFWNBFS-QPUJVOFHSA-N 1 0 294.336 1.831 20 5 CDBDRO CN1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)CCC1=O ZINC000846920426 751096768 /nfs/dbraw/zinc/09/67/68/751096768.db2.gz LVMCCMPTRIOWHJ-LLVKDONJSA-N 1 0 295.314 1.787 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1COC[C@H]1C ZINC000932493553 752368936 /nfs/dbraw/zinc/36/89/36/752368936.db2.gz HWIRIRCYJYZDKX-GHMZBOCLSA-N 1 0 293.323 1.466 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000846988484 752459879 /nfs/dbraw/zinc/45/98/79/752459879.db2.gz LLEROTUPWOPGEJ-LBPRGKRZSA-N 1 0 285.388 1.765 20 5 CDBDRO CC[N@@H+]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776277727 752595281 /nfs/dbraw/zinc/59/52/81/752595281.db2.gz OGXXHUYJPIEVGQ-OAHLLOKOSA-N 1 0 293.367 1.656 20 5 CDBDRO C[C@H](Cn1ccnc1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818959075 752838491 /nfs/dbraw/zinc/83/84/91/752838491.db2.gz BYUQVKQEWIUAAN-RISCZKNCSA-N 1 0 290.323 1.503 20 5 CDBDRO CCC[N@@H+]1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000856073738 752855138 /nfs/dbraw/zinc/85/51/38/752855138.db2.gz WITWYHSBUQPYHO-NSHDSACASA-N 1 0 271.361 1.422 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2cn[nH]c2)cc1 ZINC000819388258 752873550 /nfs/dbraw/zinc/87/35/50/752873550.db2.gz SYPFYZNZMXMIQB-ZDUSSCGKSA-N 1 0 276.296 1.184 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000091428065 752894997 /nfs/dbraw/zinc/89/49/97/752894997.db2.gz VQMWXMIJMINJAS-NSHDSACASA-N 1 0 292.339 1.343 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](CO)CC2CCC2)cc1 ZINC000843118609 752946732 /nfs/dbraw/zinc/94/67/32/752946732.db2.gz OFMKYIFLFKRDSL-DZGCQCFKSA-N 1 0 294.351 1.769 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@H]1c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000823235013 752975501 /nfs/dbraw/zinc/97/55/01/752975501.db2.gz OQDHHLOQRLZWKI-NXEZZACHSA-N 1 0 282.344 1.913 20 5 CDBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000785517243 752977396 /nfs/dbraw/zinc/97/73/96/752977396.db2.gz JBKXWJYFZVVUKV-SWHYSGLUSA-N 1 0 280.324 1.331 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000088056019 753016571 /nfs/dbraw/zinc/01/65/71/753016571.db2.gz YVJNIBYLSMECNR-ONGXEEELSA-N 1 0 292.339 1.390 20 5 CDBDRO [NH3+][C@H](Cc1nc(Cc2ccccc2[N+](=O)[O-])no1)C1CC1 ZINC000843171204 753139316 /nfs/dbraw/zinc/13/93/16/753139316.db2.gz UYEFZGXFGHDIEH-LLVKDONJSA-N 1 0 288.307 1.848 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H]1[NH2+]CCc2ccccc21 ZINC000261605705 753189765 /nfs/dbraw/zinc/18/97/65/753189765.db2.gz CVHQRZWQAZTYHT-GFCCVEGCSA-N 1 0 287.323 1.627 20 5 CDBDRO Cc1cc(C(=O)NCC[C@@H](C)[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000855415464 753247553 /nfs/dbraw/zinc/24/75/53/753247553.db2.gz ILPPDPJNKSBEJI-SNVBAGLBSA-N 1 0 294.355 1.555 20 5 CDBDRO C[NH+](C)C[C@H](CO)Nc1ncc([N+](=O)[O-])c2ccccc21 ZINC000884508932 753280878 /nfs/dbraw/zinc/28/08/78/753280878.db2.gz SKNOWXVJCISGNV-SNVBAGLBSA-N 1 0 290.323 1.477 20 5 CDBDRO CC[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1O ZINC000886094710 753329725 /nfs/dbraw/zinc/32/97/25/753329725.db2.gz XVFLGXCMOUMYRN-KOLCDFICSA-N 1 0 251.286 1.193 20 5 CDBDRO O=C(NCCCCCCC[NH+]1CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839572804 753332878 /nfs/dbraw/zinc/33/28/78/753332878.db2.gz WEYRUXNJQMMPPY-ZIAGYGMSSA-N 1 0 297.399 1.814 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCO ZINC000866215491 753334469 /nfs/dbraw/zinc/33/44/69/753334469.db2.gz YPZDLESTQOKNRD-VIFPVBQESA-N 1 0 256.277 1.637 20 5 CDBDRO C[NH2+]C[C@@H](C)c1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000721132273 753348719 /nfs/dbraw/zinc/34/87/19/753348719.db2.gz USIURTPFAYHAQZ-MRVPVSSYSA-N 1 0 262.269 1.968 20 5 CDBDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000223077606 753356181 /nfs/dbraw/zinc/35/61/81/753356181.db2.gz BERKNSYPHHLBIU-MPKXVKKWSA-N 1 0 280.324 1.785 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCn2cccn2)cc1 ZINC000158629287 753364569 /nfs/dbraw/zinc/36/45/69/753364569.db2.gz WANSMOBBLYPJFA-CYBMUJFWSA-N 1 0 276.296 1.115 20 5 CDBDRO Cc1c(CNCc2nnc3n2CCC3)cccc1[N+](=O)[O-] ZINC000873011037 753365304 /nfs/dbraw/zinc/36/53/04/753365304.db2.gz QDTOCWGICCADOX-UHFFFAOYSA-N 1 0 287.323 1.731 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@H]1c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000823233928 753401473 /nfs/dbraw/zinc/40/14/73/753401473.db2.gz DWPHDZBUMOLOJM-DTWKUNHWSA-N 1 0 268.317 1.523 20 5 CDBDRO CC(C)([NH3+])Cc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000843169753 753408151 /nfs/dbraw/zinc/40/81/51/753408151.db2.gz OHTTTXZEYKGNJC-UHFFFAOYSA-N 1 0 277.284 1.507 20 5 CDBDRO CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C1(C[NH3+])CCC1 ZINC000843483541 753431337 /nfs/dbraw/zinc/43/13/37/753431337.db2.gz CQOZAYFVOUWOIZ-UHFFFAOYSA-N 1 0 278.312 1.130 20 5 CDBDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886162691 753549618 /nfs/dbraw/zinc/54/96/18/753549618.db2.gz VYGJBHWBUWBWHZ-NTZNESFSSA-N 1 0 279.340 1.971 20 5 CDBDRO COc1ccc(C[NH2+][C@H](C)COC(C)=O)cc1[N+](=O)[O-] ZINC000892715580 753638359 /nfs/dbraw/zinc/63/83/59/753638359.db2.gz ZUOKIJFGVBDMED-SECBINFHSA-N 1 0 282.296 1.645 20 5 CDBDRO CSC[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819088590 753652072 /nfs/dbraw/zinc/65/20/72/753652072.db2.gz UKHMXAYVTHBPGS-JOYOIKCWSA-N 1 0 270.354 1.969 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823310655 753714589 /nfs/dbraw/zinc/71/45/89/753714589.db2.gz OQINIHUSTGJCDV-LLVKDONJSA-N 1 0 273.377 1.668 20 5 CDBDRO CN(C[C@@H]1CC[N@H+](CC[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000929522442 753793287 /nfs/dbraw/zinc/79/32/87/753793287.db2.gz WJFJNAVHHTVWGF-NSHDSACASA-N 1 0 287.360 1.452 20 5 CDBDRO CC(=O)NC[C@H](C)C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173219315 912300849 /nfs/dbraw/zinc/30/08/49/912300849.db2.gz AUNMPLIXYUVJIM-NEPJUHHUSA-N 1 0 293.367 1.888 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1[C@@H]2COC[C@@H]21 ZINC001173228745 912319091 /nfs/dbraw/zinc/31/90/91/912319091.db2.gz KEOMIXZCPSNMNK-OLRMPSLUSA-N 1 0 262.309 1.760 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)CN ZINC001173211145 912333452 /nfs/dbraw/zinc/33/34/52/912333452.db2.gz PVQLTLNCPOJUBP-JTQLQIEISA-N 1 0 251.330 1.853 20 5 CDBDRO C[NH2+]Cc1c(C)nn(-c2ncc([N+](=O)[O-])c(C)n2)c1C ZINC001167098936 894498179 /nfs/dbraw/zinc/49/81/79/894498179.db2.gz PJPPFJSKTWGWES-UHFFFAOYSA-N 1 0 276.300 1.215 20 5 CDBDRO C[C@H]1COC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000699811843 914295916 /nfs/dbraw/zinc/29/59/16/914295916.db2.gz YTFVPHUOUKPCKO-GXFFZTMASA-N 1 0 266.297 1.598 20 5 CDBDRO C[NH2+]CCNc1cc([N+](=O)[O-])cc(Br)n1 ZINC001167724281 899390191 /nfs/dbraw/zinc/39/01/91/899390191.db2.gz MWZXKJMBSNYTCH-UHFFFAOYSA-N 1 0 275.106 1.384 20 5 CDBDRO Cc1cc(CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)nn1C ZINC001167768470 900274009 /nfs/dbraw/zinc/27/40/09/900274009.db2.gz CIUKDZNUWRSCFD-UHFFFAOYSA-N 1 0 287.323 1.852 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCc1noc(C(C)(C)C)n1 ZINC001223185891 900978249 /nfs/dbraw/zinc/97/82/49/900978249.db2.gz SUJUTRVOJAKXAS-SNVBAGLBSA-N 1 0 256.370 1.978 20 5 CDBDRO O=C(NCC[NH2+]CCC1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936936 909941455 /nfs/dbraw/zinc/94/14/55/909941455.db2.gz XQQAQQGFUGGSKT-CHWSQXEVSA-N 1 0 283.372 1.328 20 5 CDBDRO CCOC(=O)N1CCC[C@@H](OCC[N+](C)(C)C)C1 ZINC001224771849 910662016 /nfs/dbraw/zinc/66/20/16/910662016.db2.gz SVVCGNXADQKSCM-GFCCVEGCSA-N 1 0 259.370 1.330 20 5 CDBDRO CC(C)=CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178449667 915417995 /nfs/dbraw/zinc/41/79/95/915417995.db2.gz CMVUQLGFOFIRMR-ZIAGYGMSSA-N 1 0 297.399 1.884 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnc3n2CCOC3)cc1 ZINC000921561986 919136437 /nfs/dbraw/zinc/13/64/37/919136437.db2.gz FKBKLPXFSMARFM-UHFFFAOYSA-N 1 0 288.307 1.611 20 5 CDBDRO O=[N+]([O-])c1c(NC(C2CC2)C2CC2)ncnc1C1C[NH2+]C1 ZINC001168744233 922014969 /nfs/dbraw/zinc/01/49/69/922014969.db2.gz WWIOSCISSBLSTI-UHFFFAOYSA-N 1 0 289.339 1.672 20 5 CDBDRO [NH3+]Cc1cn(-c2c(Cl)cncc2[N+](=O)[O-])cn1 ZINC001162304149 922227707 /nfs/dbraw/zinc/22/77/07/922227707.db2.gz KUBDUYGPEKSCEU-UHFFFAOYSA-N 1 0 253.649 1.288 20 5 CDBDRO O=C(NCC1=CC[NH2+]CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702064901 922464345 /nfs/dbraw/zinc/46/43/45/922464345.db2.gz HZOGSHCHNCYSRQ-UHFFFAOYSA-N 1 0 295.726 1.898 20 5 CDBDRO CCOC(=O)c1ccc(N2CC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001164286436 924763134 /nfs/dbraw/zinc/76/31/34/924763134.db2.gz OHGSBMJCWLYQHY-JTQLQIEISA-N 1 0 279.296 1.309 20 5 CDBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])n[nH]1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001155037612 926438710 /nfs/dbraw/zinc/43/87/10/926438710.db2.gz GEMJISHNYPBCHM-HRDYMLBCSA-N 1 0 281.316 1.518 20 5 CDBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000843356255 937141374 /nfs/dbraw/zinc/14/13/74/937141374.db2.gz KDROUXBTJRXPDK-GFCCVEGCSA-N 1 0 294.355 1.622 20 5 CDBDRO COc1ccc(-n2cnc3ccc(C[NH3+])cc32)nc1[N+](=O)[O-] ZINC001168840346 927486052 /nfs/dbraw/zinc/48/60/52/927486052.db2.gz BNJGNCRVXBFNDU-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO Cc1cnc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)cc1[N+](=O)[O-] ZINC001168818873 927490762 /nfs/dbraw/zinc/49/07/62/927490762.db2.gz ATDAZZZPHCQDGZ-SNVBAGLBSA-N 1 0 273.296 1.300 20 5 CDBDRO [NH3+]CCc1cnn(-c2ncnc3sc([N+](=O)[O-])cc32)c1 ZINC001168946921 927551911 /nfs/dbraw/zinc/55/19/11/927551911.db2.gz QZBYHGJUILFWGO-UHFFFAOYSA-N 1 0 290.308 1.286 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCOC(F)(F)F)C1 ZINC001168976054 927561281 /nfs/dbraw/zinc/56/12/81/927561281.db2.gz YXBLLAALXVMALY-SFYZADRCSA-N 1 0 256.224 1.558 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccccc2F)C1 ZINC001168977028 927562372 /nfs/dbraw/zinc/56/23/72/927562372.db2.gz GZAADHHKTKMHBC-UHIISALHSA-N 1 0 282.315 1.894 20 5 CDBDRO CC(=O)N1CCC[C@H](C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168978108 927565581 /nfs/dbraw/zinc/56/55/81/927565581.db2.gz OKJBWVILSCMJGM-MCIONIFRSA-N 1 0 283.372 1.280 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCn2nnc3ccccc32)C1 ZINC001168978254 927566143 /nfs/dbraw/zinc/56/61/43/927566143.db2.gz QIJHIDDAZCOIAF-NWDGAFQWSA-N 1 0 289.339 1.466 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2cccc(O)c2)C1 ZINC001168978225 927566378 /nfs/dbraw/zinc/56/63/78/927566378.db2.gz QBADOVPVOOFNCR-MPKXVKKWSA-N 1 0 280.324 1.461 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C2CCCCC2)C1 ZINC001168982107 927570630 /nfs/dbraw/zinc/57/06/30/927570630.db2.gz IOHIIWUNGLGCIM-BNOWGMLFSA-N 1 0 270.373 1.963 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccnc(F)c2)C1 ZINC001168984345 927572520 /nfs/dbraw/zinc/57/25/20/927572520.db2.gz MEJNZIVMRMPSDR-MNOVXSKESA-N 1 0 253.277 1.756 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H](CO)c2ccccc2)C1 ZINC001168956838 927577704 /nfs/dbraw/zinc/57/77/04/927577704.db2.gz FZLBFGDTJOZLSB-IACUBPJLSA-N 1 0 264.325 1.755 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCCn2ccnc2)C1 ZINC001168958827 927578984 /nfs/dbraw/zinc/57/89/84/927578984.db2.gz QDMNLWLKBBVJBC-NWDGAFQWSA-N 1 0 252.318 1.308 20 5 CDBDRO [NH3+][C@@H]1Cc2ccccc2N([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168962371 927585260 /nfs/dbraw/zinc/58/52/60/927585260.db2.gz LXPASIRKXNSVSX-MRVWCRGKSA-N 1 0 275.352 1.822 20 5 CDBDRO COC(=O)c1csc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168965124 927586102 /nfs/dbraw/zinc/58/61/02/927586102.db2.gz YGECALZZFJPIQI-IUCAKERBSA-N 1 0 299.352 1.465 20 5 CDBDRO CCN1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168968148 927590998 /nfs/dbraw/zinc/59/09/98/927590998.db2.gz WQDHTECYIXUZBT-YPMHNXCESA-N 1 0 255.362 1.506 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001168968766 927592501 /nfs/dbraw/zinc/59/25/01/927592501.db2.gz AIOZTKCSDMJQNT-JQWIXIFHSA-N 1 0 265.313 1.625 20 5 CDBDRO CC(C)N1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168972378 927596663 /nfs/dbraw/zinc/59/66/63/927596663.db2.gz MTSHDGDKUCKOEN-XQQFMLRXSA-N 1 0 255.362 1.504 20 5 CDBDRO COc1cncc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168994113 927600945 /nfs/dbraw/zinc/60/09/45/927600945.db2.gz PJMZTBGLLADJIU-JQWIXIFHSA-N 1 0 265.313 1.625 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CN(c3ccccn3)C2)C1 ZINC001168994571 927601174 /nfs/dbraw/zinc/60/11/74/927601174.db2.gz PXAXKPYTJSLHDV-VXGBXAGGSA-N 1 0 276.340 1.305 20 5 CDBDRO CC(C)n1cncc1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168997480 927603187 /nfs/dbraw/zinc/60/31/87/927603187.db2.gz ZTFPDZABCBBJQS-VXGBXAGGSA-N 1 0 266.345 1.999 20 5 CDBDRO COCCn1cnc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168995718 927603814 /nfs/dbraw/zinc/60/38/14/927603814.db2.gz SSJMMSODONFQQV-RYUDHWBXSA-N 1 0 282.344 1.065 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CN(CC(F)(F)F)C2)C1 ZINC001169001997 927606618 /nfs/dbraw/zinc/60/66/18/927606618.db2.gz IYGXGBALISCNKW-BDAKNGLRSA-N 1 0 281.278 1.268 20 5 CDBDRO [NH3+]C[C@H](CO)c1ccc(N[C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169004171 927608637 /nfs/dbraw/zinc/60/86/37/927608637.db2.gz QJPDXUKKYNUOFV-LNSITVRQSA-N 1 0 293.367 1.579 20 5 CDBDRO COC(=O)[C@@]1(C)CCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011974 927616243 /nfs/dbraw/zinc/61/62/43/927616243.db2.gz OCHAYBXDCCZFEC-NTZNESFSSA-N 1 0 270.329 1.459 20 5 CDBDRO C[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H]1CO ZINC001169011406 927617246 /nfs/dbraw/zinc/61/72/46/927617246.db2.gz KEHIELMOPGUKND-FDYHWXHSSA-N 1 0 256.346 1.525 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(O)(C(F)(F)F)CC2)C1 ZINC001169012554 927619866 /nfs/dbraw/zinc/61/98/66/927619866.db2.gz RDCSNWBYNDBTAB-UWVGGRQHSA-N 1 0 296.289 1.821 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCN2CCC[C@@H](F)C2)C1 ZINC001168990253 927629111 /nfs/dbraw/zinc/62/91/11/927629111.db2.gz ZBMZTXPNRGHWEE-JHJVBQTASA-N 1 0 273.352 1.455 20 5 CDBDRO C[C@@H]1CO[C@@H]2C[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]12 ZINC001169035835 927644446 /nfs/dbraw/zinc/64/44/46/927644446.db2.gz DAKIPXPBZNLSLP-KSSYENDESA-N 1 0 254.330 1.399 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CC(N3CC[C@H](F)C3)C2)C1 ZINC001169036112 927644628 /nfs/dbraw/zinc/64/46/28/927644628.db2.gz MZWSXSKLYRVKQF-WOPDTQHZSA-N 1 0 271.336 1.160 20 5 CDBDRO Cn1ncc2c1C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169035501 927645004 /nfs/dbraw/zinc/64/50/04/927645004.db2.gz BOEFXKKMPCCNDV-PWSUYJOCSA-N 1 0 264.329 1.224 20 5 CDBDRO O=C1NCCC2(CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)O1 ZINC001169035799 927645137 /nfs/dbraw/zinc/64/51/37/927645137.db2.gz CJTGWQNGDUAXKQ-NEPJUHHUSA-N 1 0 297.355 1.396 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(n3cnnc3)CC2)C1 ZINC001169037054 927646391 /nfs/dbraw/zinc/64/63/91/927646391.db2.gz IFDAUUMKMZOWNQ-AAEUAGOBSA-N 1 0 279.344 1.360 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[NH+]3CCC2CC3)C1 ZINC001169036584 927646601 /nfs/dbraw/zinc/64/66/01/927646601.db2.gz GVLIAGVTFFDZBI-DGCLKSJQSA-N 1 0 253.346 1.212 20 5 CDBDRO COC(=O)CC[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169037527 927647824 /nfs/dbraw/zinc/64/78/24/927647824.db2.gz SBJLCBZMCRIBQN-UPJWGTAASA-N 1 0 284.356 1.707 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(n3cccn3)CC2)C1 ZINC001169037121 927647912 /nfs/dbraw/zinc/64/79/12/927647912.db2.gz JBOWHZNXKSQAKQ-TZMCWYRMSA-N 1 0 278.356 1.965 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3OCC[C@H]3C2)C1 ZINC001169039092 927649181 /nfs/dbraw/zinc/64/91/81/927649181.db2.gz MYZWQPOCGSMXOX-VOAKCMCISA-N 1 0 254.330 1.543 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(C2)CCCOC3)C1 ZINC001169039961 927653283 /nfs/dbraw/zinc/65/32/83/927653283.db2.gz WIYCIXAMTRRQCQ-RDBSUJKOSA-N 1 0 268.357 1.934 20 5 CDBDRO C[C@H]1C[C@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@H]2O1 ZINC001169017565 927656435 /nfs/dbraw/zinc/65/64/35/927656435.db2.gz APZQGAYIWKUPQW-MEBFFEOJSA-N 1 0 268.357 1.931 20 5 CDBDRO COCC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCN(C)CC1 ZINC001169021917 927663723 /nfs/dbraw/zinc/66/37/23/927663723.db2.gz BCIGBRXJGHZQQY-HIFRSBDPSA-N 1 0 299.415 1.474 20 5 CDBDRO CCCNC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169026521 927667430 /nfs/dbraw/zinc/66/74/30/927667430.db2.gz LYJSBNKOXXHGII-MJBXVCDLSA-N 1 0 297.399 1.813 20 5 CDBDRO CC(=O)Nc1ccc(-n2ccc([C@H](C)[NH3+])n2)cc1[N+](=O)[O-] ZINC001169233946 927848846 /nfs/dbraw/zinc/84/88/46/927848846.db2.gz UNBNMFVSQVCLFF-QMMMGPOBSA-N 1 0 289.295 1.759 20 5 CDBDRO CC1(C)OC[C@@H](CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)O1 ZINC001169911492 928515752 /nfs/dbraw/zinc/51/57/52/928515752.db2.gz ZMPNFBZCFXXEMJ-LLVKDONJSA-N 1 0 293.323 1.761 20 5 CDBDRO CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[NH2+]1 ZINC000856489115 928606723 /nfs/dbraw/zinc/60/67/23/928606723.db2.gz JNABEFQGEOKPKV-ZDUSSCGKSA-N 1 0 292.339 1.247 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCCS(=O)(=O)c1ccccc1 ZINC001206081507 929815971 /nfs/dbraw/zinc/81/59/71/929815971.db2.gz CLBGZSNRWHAZOH-CYBMUJFWSA-N 1 0 286.417 1.572 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(N[C@@H]2C[NH2+]C[C@@H]2CO)c1 ZINC001170781138 929967920 /nfs/dbraw/zinc/96/79/20/929967920.db2.gz PULULYWLHJPWTM-RDDDGLTNSA-N 1 0 271.704 1.240 20 5 CDBDRO CC(C)(C)[NH2+]CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116142408 937432895 /nfs/dbraw/zinc/43/28/95/937432895.db2.gz ANUGDCIZOARDCS-UHFFFAOYSA-N 1 0 277.324 1.825 20 5 CDBDRO O=C(NCCN1CC=CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001116195266 937435552 /nfs/dbraw/zinc/43/55/52/937435552.db2.gz IRNKEFYPYJSBHH-UHFFFAOYSA-N 1 0 295.726 1.850 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886837179 930970647 /nfs/dbraw/zinc/97/06/47/930970647.db2.gz CEMKKUFHRSAMBH-LBPRGKRZSA-N 1 0 250.302 1.161 20 5 CDBDRO CC[N@@H+]1CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000823204782 931273406 /nfs/dbraw/zinc/27/34/06/931273406.db2.gz LRWNAFAKSBZDMF-UHFFFAOYSA-N 1 0 271.361 1.376 20 5 CDBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000844642302 931667222 /nfs/dbraw/zinc/66/72/22/931667222.db2.gz IVDCDRYBNMLXPB-QJPTWQEYSA-N 1 0 285.388 1.761 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1NCC(C)(C)[NH3+] ZINC001171193511 931853727 /nfs/dbraw/zinc/85/37/27/931853727.db2.gz ZOKHWNVQFHMHML-UHFFFAOYSA-N 1 0 267.285 1.531 20 5 CDBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000845665333 931878948 /nfs/dbraw/zinc/87/89/48/931878948.db2.gz GRXXJSQCQZQJEU-NSHDSACASA-N 1 0 296.327 1.209 20 5 CDBDRO [NH3+]Cc1cn(-c2ncnc3cc([N+](=O)[O-])ccc32)cn1 ZINC001154906899 937602678 /nfs/dbraw/zinc/60/26/78/937602678.db2.gz QHZQRUIHIQHZMY-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO O=C(C1CC[NH2+]CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118266105 937610381 /nfs/dbraw/zinc/61/03/81/937610381.db2.gz LSZWTMHXLLDKIZ-UHFFFAOYSA-N 1 0 275.308 1.437 20 5 CDBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1ccc([N+](=O)[O-])c(N)n1 ZINC001155024008 937622930 /nfs/dbraw/zinc/62/29/30/937622930.db2.gz GMVYDQNJSGUHPG-UWVGGRQHSA-N 1 0 279.344 1.620 20 5 CDBDRO O=[N+]([O-])c1ccnc(NC[C@]2(F)CCCC[NH2+]C2)c1 ZINC001155114718 937636705 /nfs/dbraw/zinc/63/67/05/937636705.db2.gz DZUBXESJRCHYBS-LBPRGKRZSA-N 1 0 268.292 1.884 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001155922199 937689302 /nfs/dbraw/zinc/68/93/02/937689302.db2.gz VEELTWNPKWTSRH-XUIVZRPNSA-N 1 0 293.371 1.884 20 5 CDBDRO C[NH+]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001119396085 937716749 /nfs/dbraw/zinc/71/67/49/937716749.db2.gz JLOFUWZOWVFDDU-UHFFFAOYSA-N 1 0 272.308 1.895 20 5 CDBDRO COCC[N@H+](CCC(=O)OC)Cc1ccc([N+](=O)[O-])cc1 ZINC000096537456 935029779 /nfs/dbraw/zinc/02/97/79/935029779.db2.gz UXGHFNZESPZWOK-UHFFFAOYSA-N 1 0 296.323 1.606 20 5 CDBDRO COc1cc(N(CCC[NH3+])C(C)C)ncc1[N+](=O)[O-] ZINC001156117945 938321234 /nfs/dbraw/zinc/32/12/34/938321234.db2.gz JHKLFMWVMKNEKU-UHFFFAOYSA-N 1 0 268.317 1.562 20 5 CDBDRO CN(C)/C=C/c1cc(N2CC[C@@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC001156232753 938339051 /nfs/dbraw/zinc/33/90/51/938339051.db2.gz JCEBAPFIZKCYEM-JOAKQRRISA-N 1 0 277.328 1.060 20 5 CDBDRO [NH3+]CCc1nccn1-c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001156477858 938372717 /nfs/dbraw/zinc/37/27/17/938372717.db2.gz PQUVVKPGOZWSMT-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO C[N@@H+]1CC[C@H](Nc2nc(Cl)nc(Cl)c2[N+](=O)[O-])C1 ZINC001156580776 938388154 /nfs/dbraw/zinc/38/81/54/938388154.db2.gz QVYUCBKLZUIBGV-YFKPBYRVSA-N 1 0 292.126 1.808 20 5 CDBDRO N=C(Nc1ncnc2ccc([N+](=O)[O-])cc21)SCC[NH3+] ZINC001157129157 938457834 /nfs/dbraw/zinc/45/78/34/938457834.db2.gz JGMXQHGOZUPFRY-UHFFFAOYSA-N 1 0 292.324 1.577 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC1(C)CC[NH2+]CC1 ZINC001157402621 938487223 /nfs/dbraw/zinc/48/72/23/938487223.db2.gz GFHLGTKLHVWGEA-UHFFFAOYSA-N 1 0 266.301 1.091 20 5 CDBDRO [NH3+]Cc1cnn(-c2ncnc3ccc([N+](=O)[O-])cc32)c1 ZINC001157472013 938498275 /nfs/dbraw/zinc/49/82/75/938498275.db2.gz RJRNGLJGGCXOER-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO C[C@@H]1[C@@H]([NH3+])CCCN1c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001157741384 938538735 /nfs/dbraw/zinc/53/87/35/938538735.db2.gz KLHYAKCIDLTECB-SKDRFNHKSA-N 1 0 287.323 1.854 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N(C(C)C)[C@H]1CC[NH2+]C1 ZINC001158022298 938575594 /nfs/dbraw/zinc/57/55/94/938575594.db2.gz MWNTYMKPDKRTBR-NSHDSACASA-N 1 0 264.329 1.875 20 5 CDBDRO COc1cnc(-n2ccc([C@@H](C)[NH3+])n2)c([N+](=O)[O-])c1 ZINC001158347965 938611429 /nfs/dbraw/zinc/61/14/29/938611429.db2.gz ATMKRTPTJJHAOY-SSDOTTSWSA-N 1 0 263.257 1.204 20 5 CDBDRO [NH3+]Cc1ccn(-c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC001158763477 938661345 /nfs/dbraw/zinc/66/13/45/938661345.db2.gz GKCDCFMMXRCGHJ-UHFFFAOYSA-N 1 0 263.213 1.147 20 5 CDBDRO C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001159488348 938731505 /nfs/dbraw/zinc/73/15/05/938731505.db2.gz CIUMYIWSUTWJNP-XVKPBYJWSA-N 1 0 286.719 1.432 20 5 CDBDRO CCOc1nc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC001159498236 938734288 /nfs/dbraw/zinc/73/42/88/938734288.db2.gz KXRFHRCPPYDSHA-ONGXEEELSA-N 1 0 296.327 1.177 20 5 CDBDRO CCOC(=O)c1cnc(NCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001161666271 938918335 /nfs/dbraw/zinc/91/83/35/938918335.db2.gz JJIVYOYSXLZVJI-UHFFFAOYSA-N 1 0 282.300 1.140 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC=CCC2)nc1C1C[NH2+]C1 ZINC001161758026 938930426 /nfs/dbraw/zinc/93/04/26/938930426.db2.gz VWGIBDBPENTCRQ-SNVBAGLBSA-N 1 0 275.312 1.592 20 5 CDBDRO COC(=O)c1ccnc(N[C@H]2C[C@@](C)([NH3+])C2)c1[N+](=O)[O-] ZINC001162328266 939024381 /nfs/dbraw/zinc/02/43/81/939024381.db2.gz LIFJSMQQJVYOCB-OGXFKERWSA-N 1 0 280.284 1.068 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ncnc1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162471826 939062725 /nfs/dbraw/zinc/06/27/25/939062725.db2.gz RDWLJLOPSJFOGN-WDSKDSINSA-N 1 0 275.671 1.150 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@@]2(F)CCCC[NH2+]C2)cn1 ZINC001162583798 939094243 /nfs/dbraw/zinc/09/42/43/939094243.db2.gz SHZGSCNBOZDRPN-LLVKDONJSA-N 1 0 269.280 1.279 20 5 CDBDRO [NH3+]Cc1ccnn1-c1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001162591616 939096350 /nfs/dbraw/zinc/09/63/50/939096350.db2.gz YFEJKSSGYOIENZ-UHFFFAOYSA-N 1 0 288.242 1.322 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001162670477 939111630 /nfs/dbraw/zinc/11/16/30/939111630.db2.gz NEAGVLKDGJYITM-GMSGAONNSA-N 1 0 291.286 1.839 20 5 CDBDRO O=[N+]([O-])c1ncccc1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163323956 939246925 /nfs/dbraw/zinc/24/69/25/939246925.db2.gz QHPZFIZYRDLDCN-MFKMUULPSA-N 1 0 278.312 1.313 20 5 CDBDRO COc1nc(N(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001163595139 939291294 /nfs/dbraw/zinc/29/12/94/939291294.db2.gz DRFDFDFMDOCRGS-UHFFFAOYSA-N 1 0 268.317 1.386 20 5 CDBDRO C[NH2+]CCN(C)c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001163722672 939315352 /nfs/dbraw/zinc/31/53/52/939315352.db2.gz XEPRJJCRSSSKHA-UHFFFAOYSA-N 1 0 287.323 1.707 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2nc(C[NH3+])cc2C)c1 ZINC001163986061 939372682 /nfs/dbraw/zinc/37/26/82/939372682.db2.gz QJADAKQRNFRFEU-UHFFFAOYSA-N 1 0 290.279 1.334 20 5 CDBDRO C[C@@H]1CC[C@@H](C[NH3+])N(c2cc([N+](=O)[O-])ccn2)C1 ZINC001164063104 939403293 /nfs/dbraw/zinc/40/32/93/939403293.db2.gz QOGZWCNAKWKHAE-KOLCDFICSA-N 1 0 250.302 1.553 20 5 CDBDRO C[C@H]1CC[C@@H](C[NH3+])N(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001164072595 939405560 /nfs/dbraw/zinc/40/55/60/939405560.db2.gz AHPGZTWIFCCIKZ-IUCAKERBSA-N 1 0 265.317 1.136 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H]1C[NH+](C)C ZINC001165073391 939506812 /nfs/dbraw/zinc/50/68/12/939506812.db2.gz XTNCHGXWZWMLAI-NSHDSACASA-N 1 0 264.329 1.829 20 5 CDBDRO COc1nc(N2CCC3(CC([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001165243640 939532151 /nfs/dbraw/zinc/53/21/51/939532151.db2.gz NQZXITJVUQLRIA-UHFFFAOYSA-N 1 0 292.339 1.706 20 5 CDBDRO Cc1nc(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001165286215 939540201 /nfs/dbraw/zinc/54/02/01/939540201.db2.gz BFWISAQUQZAQEC-DGCLKSJQSA-N 1 0 292.339 1.113 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC001165298186 939542359 /nfs/dbraw/zinc/54/23/59/939542359.db2.gz FPPPTAQRRHUXIQ-DTWKUNHWSA-N 1 0 268.704 1.584 20 5 CDBDRO Cc1nc(Cl)nc(N2CCC[C@@H]3[NH2+]C[C@H]32)c1[N+](=O)[O-] ZINC001165387312 939555585 /nfs/dbraw/zinc/55/55/85/939555585.db2.gz KEBIDTFIOLMCRB-JGVFFNPUSA-N 1 0 283.719 1.287 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC[C@H]3[NH2+]C[C@H]32)n1 ZINC001165394706 939558228 /nfs/dbraw/zinc/55/82/28/939558228.db2.gz XPBXGJFKYCRZKT-NXEZZACHSA-N 1 0 282.731 1.892 20 5 CDBDRO Nc1cc(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)ncc1[N+](=O)[O-] ZINC001165434290 939564874 /nfs/dbraw/zinc/56/48/74/939564874.db2.gz RFEANCKZUBPXIA-IUCAKERBSA-N 1 0 295.318 1.085 20 5 CDBDRO CC(C)Oc1nc(N2C[C@@H]([NH3+])[C@@H](F)C2)ccc1[N+](=O)[O-] ZINC001166929806 939651667 /nfs/dbraw/zinc/65/16/67/939651667.db2.gz RLZLIXJEFBQDBE-DTWKUNHWSA-N 1 0 284.291 1.262 20 5 CDBDRO [NH3+][C@H]1CCN(c2cc(Cl)ncc2[N+](=O)[O-])CC1(F)F ZINC001166960824 939661338 /nfs/dbraw/zinc/66/13/38/939661338.db2.gz LGVIRVLVPKTSAU-QMMMGPOBSA-N 1 0 292.673 1.816 20 5 CDBDRO [NH3+][C@H]1CCN(c2cccc([N+](=O)[O-])n2)CC1(F)F ZINC001166962550 939662118 /nfs/dbraw/zinc/66/21/18/939662118.db2.gz UXAYETRWUPVTOU-ZETCQYMHSA-N 1 0 258.228 1.163 20 5 CDBDRO Cc1ccc(C)c(COC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001222904889 941641658 /nfs/dbraw/zinc/64/16/58/941641658.db2.gz PHNGJMKJXBXQFS-OAHLLOKOSA-N 1 0 280.388 1.804 20 5 CDBDRO CCOC(=O)c1cnc(CO[C@H](C)C[N+](C)(C)C)s1 ZINC001224119657 941722347 /nfs/dbraw/zinc/72/23/47/941722347.db2.gz BJAJJOZIWXJQPW-SNVBAGLBSA-N 1 0 287.405 1.931 20 5 CDBDRO CCOC(=O)[C@H]1CCC[C@@H]1OCCC[N+](C)(C)C ZINC001224617969 941776757 /nfs/dbraw/zinc/77/67/57/941776757.db2.gz AMHBUEKMIUJPTM-STQMWFEESA-N 1 0 258.382 1.831 20 5 CDBDRO CC1(C)CC(COC(=O)C[C@@H](O)C[N+](C)(C)C)C1 ZINC001224769386 941790271 /nfs/dbraw/zinc/79/02/71/941790271.db2.gz MVOGOTPWQGJZKH-GFCCVEGCSA-N 1 0 258.382 1.423 20 5 CDBDRO COC(=O)[C@H](OCC[N+](C)(C)C)c1cccc(F)c1 ZINC001224776264 941790283 /nfs/dbraw/zinc/79/02/83/941790283.db2.gz UDGTWBMQDYAWGB-CYBMUJFWSA-N 1 0 270.324 1.763 20 5 CDBDRO CCOC(=O)[C@@H](C)[C@@H](OCC[N+](C)(C)C)C(F)(F)F ZINC001224771999 941790351 /nfs/dbraw/zinc/79/03/51/941790351.db2.gz VLDOCRZVVSRKPM-VHSXEESVSA-N 1 0 286.314 1.839 20 5 CDBDRO CC[N@@H+]1CCC[C@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225666475 941897533 /nfs/dbraw/zinc/89/75/33/941897533.db2.gz JIFAVKDABYECSC-VIFPVBQESA-N 1 0 267.285 1.559 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC001225775563 941912713 /nfs/dbraw/zinc/91/27/13/941912713.db2.gz FMQIQUQACKLJSX-SSDOTTSWSA-N 1 0 258.224 1.956 20 5 CDBDRO CC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1F ZINC001225967863 941934450 /nfs/dbraw/zinc/93/44/50/941934450.db2.gz ZNTRRRVSXLWUBR-LLVKDONJSA-N 1 0 298.334 1.391 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(F)cnc1Cl ZINC001226108905 941952402 /nfs/dbraw/zinc/95/24/02/941952402.db2.gz IBPOBFUTLKFKFQ-SECBINFHSA-N 1 0 291.730 1.237 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226173709 941963021 /nfs/dbraw/zinc/96/30/21/941963021.db2.gz VFHBZIWGTVUVTR-LLVKDONJSA-N 1 0 293.323 1.557 20 5 CDBDRO C[N@@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])cn2)CC1 ZINC001226732825 942060038 /nfs/dbraw/zinc/06/00/38/942060038.db2.gz ZVQUDEGTNYBVRX-JTQLQIEISA-N 1 0 252.274 1.248 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)C1 ZINC001228240759 942283551 /nfs/dbraw/zinc/28/35/51/942283551.db2.gz SUIRFYJYWFGKBC-SECBINFHSA-N 1 0 290.279 1.327 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1nc(Cl)nc2[nH]cnc21 ZINC001228507213 942328518 /nfs/dbraw/zinc/32/85/18/942328518.db2.gz JDHHMQAWDFDDIR-SSDOTTSWSA-N 1 0 270.744 1.480 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)Oc1ncncc1[N+](=O)[O-] ZINC001228658537 942349699 /nfs/dbraw/zinc/34/96/99/942349699.db2.gz XUZAVPIGPVJTSM-SECBINFHSA-N 1 0 254.290 1.494 20 5 CDBDRO COC(=O)c1cc(O[C@@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001228772430 942374356 /nfs/dbraw/zinc/37/43/56/942374356.db2.gz WSDJDHIJPRDOHG-VIFPVBQESA-N 1 0 282.296 1.710 20 5 CDBDRO C[NH+]1CCC(Oc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC001230313059 942606390 /nfs/dbraw/zinc/60/63/90/942606390.db2.gz TWMMJNMERVZIGH-UHFFFAOYSA-N 1 0 281.268 1.976 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2ccc(CC[N+](=O)[O-])cc2OC)C1 ZINC001233987722 943706975 /nfs/dbraw/zinc/70/69/75/943706975.db2.gz SRJBWYFRBSTOEH-CYBMUJFWSA-N 1 0 294.351 1.987 20 5 CDBDRO COC(=O)c1ccc(OC2CN(C(C)C)C2)cc1[N+](=O)[O-] ZINC001234051315 943727584 /nfs/dbraw/zinc/72/75/84/943727584.db2.gz OPZNYSXVQLQOQL-UHFFFAOYSA-N 1 0 294.307 1.853 20 5 CDBDRO COC(=O)c1ccc(O[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC001234050370 943727984 /nfs/dbraw/zinc/72/79/84/943727984.db2.gz JPGWNPDMFOXQBP-VIFPVBQESA-N 1 0 282.296 1.710 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](C(C)(C)C)CC1 ZINC001262013127 946373599 /nfs/dbraw/zinc/37/35/99/946373599.db2.gz SAUHBONINMZGPA-UHFFFAOYSA-N 1 0 295.387 1.516 20 5 CDBDRO [NH3+][C@@H](CC1CC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001262035630 946391634 /nfs/dbraw/zinc/39/16/34/946391634.db2.gz QDQWIZHQEXKIQF-AWEZNQCLSA-N 1 0 289.335 1.607 20 5 CDBDRO CCC[C@@](C)(O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001262565299 946715514 /nfs/dbraw/zinc/71/55/14/946715514.db2.gz HVEQBULGBLGULI-ZIAGYGMSSA-N 1 0 282.340 1.769 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC001254532387 947507609 /nfs/dbraw/zinc/50/76/09/947507609.db2.gz NSGLVBAXRDCHLZ-ZYHUDNBSSA-N 1 0 298.364 1.303 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCNC1=O ZINC001254532268 947508113 /nfs/dbraw/zinc/50/81/13/947508113.db2.gz MMCQEBKRJVVXTI-GXSJLCMTSA-N 1 0 263.297 1.004 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH3+])C1 ZINC001254538414 947516562 /nfs/dbraw/zinc/51/65/62/947516562.db2.gz UQNRSFFTGQCJKC-DGCLKSJQSA-N 1 0 263.341 1.949 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCN(CC[NH3+])CC1 ZINC001254538681 947516656 /nfs/dbraw/zinc/51/66/56/947516656.db2.gz YKQGLINDJYWCAT-CYBMUJFWSA-N 1 0 292.383 1.102 20 5 CDBDRO CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254541738 947517406 /nfs/dbraw/zinc/51/74/06/947517406.db2.gz IUSBSTHUJPMPPT-BPNCWPANSA-N 1 0 291.351 1.783 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001254551827 947520618 /nfs/dbraw/zinc/52/06/18/947520618.db2.gz GGWMTGBBRAUKCP-UXIGCNINSA-N 1 0 294.351 1.201 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCNC(=O)C1 ZINC001254548864 947521987 /nfs/dbraw/zinc/52/19/87/947521987.db2.gz NCLYSWPFIVEQSB-WCQYABFASA-N 1 0 291.351 1.784 20 5 CDBDRO CC(C)[C@H](CO)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254567523 947528828 /nfs/dbraw/zinc/52/88/28/947528828.db2.gz PAHLYXQLYDZTCW-JSGCOSHPSA-N 1 0 264.325 1.669 20 5 CDBDRO Cn1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1=O ZINC001254573756 947533204 /nfs/dbraw/zinc/53/32/04/947533204.db2.gz BXJSFZZYEHLYAA-CQSZACIVSA-N 1 0 299.330 1.551 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)C2 ZINC001254574186 947533292 /nfs/dbraw/zinc/53/32/92/947533292.db2.gz GQDZPPFKTMBNFE-IUPBHXKESA-N 1 0 262.309 1.423 20 5 CDBDRO CCC[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254580918 947537847 /nfs/dbraw/zinc/53/78/47/947537847.db2.gz HYEAOTXSDYQNGS-YPMHNXCESA-N 1 0 277.324 1.306 20 5 CDBDRO C[C@H](CO)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254585922 947540494 /nfs/dbraw/zinc/54/04/94/947540494.db2.gz YTJCBUNRJQJICU-JOYOIKCWSA-N 1 0 250.298 1.280 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCc1nncs1)C2 ZINC001254588456 947543208 /nfs/dbraw/zinc/54/32/08/947543208.db2.gz YYVGBBKFJXROJE-NSHDSACASA-N 1 0 290.348 1.746 20 5 CDBDRO CCCC[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254587912 947543856 /nfs/dbraw/zinc/54/38/56/947543856.db2.gz CGEUBYRUCWHYSW-JSGCOSHPSA-N 1 0 291.351 1.696 20 5 CDBDRO CN(C)C(=O)C1C[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254600358 947549178 /nfs/dbraw/zinc/54/91/78/947549178.db2.gz PHCBHBQQEMFZEF-AWEZNQCLSA-N 1 0 289.335 1.082 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCCC13COC3)C2 ZINC001254601287 947549392 /nfs/dbraw/zinc/54/93/92/947549392.db2.gz XIUOPIRPVWTYMH-CQSZACIVSA-N 1 0 274.320 1.927 20 5 CDBDRO C[C@@H]1C[C@H](O)C[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599281 947550054 /nfs/dbraw/zinc/55/00/54/947550054.db2.gz NCJDCVLJGNEGQG-IIMNLJJBSA-N 1 0 262.309 1.517 20 5 CDBDRO NC(=O)[C@H]1CCCC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599936 947550378 /nfs/dbraw/zinc/55/03/78/947550378.db2.gz MZODYEBBAHMOLM-UONOGXRCSA-N 1 0 289.335 1.402 20 5 CDBDRO COC[C@@H]1CC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611068 947555674 /nfs/dbraw/zinc/55/56/74/947555674.db2.gz UDVBXZQPIGTDEA-UONOGXRCSA-N 1 0 262.309 1.783 20 5 CDBDRO C[N@H+](Cc1cncnc1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254612646 947556669 /nfs/dbraw/zinc/55/66/69/947556669.db2.gz XJPHCBSVVSUEHP-OAHLLOKOSA-N 1 0 284.319 1.984 20 5 CDBDRO O=C1C[C@@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CN1 ZINC001327511011 954912430 /nfs/dbraw/zinc/91/24/30/954912430.db2.gz ABQNUHOIDFUHIT-SNVBAGLBSA-N 1 0 275.308 1.089 20 5 CDBDRO CC(C)C[NH2+]CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329118210 955697213 /nfs/dbraw/zinc/69/72/13/955697213.db2.gz KDGKNVXHFHFRAA-UHFFFAOYSA-N 1 0 277.324 1.683 20 5 CDBDRO C[C@@](CO)([NH2+]CCc1cn[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC001308000556 956459926 /nfs/dbraw/zinc/45/99/26/956459926.db2.gz VFBNLNYZEOHPKY-AWEZNQCLSA-N 1 0 290.323 1.358 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H](O)C(C)(C)O)c1ccc([N+](=O)[O-])cc1 ZINC001308071280 956466828 /nfs/dbraw/zinc/46/68/28/956466828.db2.gz YLUZRDBRMRODHF-BXKDBHETSA-N 1 0 268.313 1.377 20 5 CDBDRO COc1cc(C[NH2+]C[C@@H](C)CCO)c([N+](=O)[O-])cc1O ZINC001308286887 956512181 /nfs/dbraw/zinc/51/21/81/956512181.db2.gz SAYKDIZQOFKXRH-VIFPVBQESA-N 1 0 284.312 1.417 20 5 CDBDRO CC1(C)C[NH2+]C[C@@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331322799 956968469 /nfs/dbraw/zinc/96/84/69/956968469.db2.gz TYWKXCFRMSLBQO-CYBMUJFWSA-N 1 0 289.335 1.683 20 5 CDBDRO C[C@@]1(CO)CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001319965603 958817202 /nfs/dbraw/zinc/81/72/02/958817202.db2.gz SPUXTCLIXAPVHM-HUUCEWRRSA-N 1 0 294.351 1.723 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC001335934318 960107334 /nfs/dbraw/zinc/10/73/34/960107334.db2.gz PZZPXISKNDPNCQ-JTQLQIEISA-N 1 0 278.230 1.605 20 5 CDBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001337067298 960907215 /nfs/dbraw/zinc/90/72/15/960907215.db2.gz XGEPMHKAYBSPSC-ZJUUUORDSA-N 1 0 279.344 1.857 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001337811026 961440693 /nfs/dbraw/zinc/44/06/93/961440693.db2.gz VULNDSNIQHLXMN-RYUDHWBXSA-N 1 0 276.340 1.759 20 5 CDBDRO C[NH2+]C1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001339923414 962627160 /nfs/dbraw/zinc/62/71/60/962627160.db2.gz SYCPTEFJGWUEJW-UHFFFAOYSA-N 1 0 292.339 1.265 20 5 CDBDRO C[C@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC001340282125 962863092 /nfs/dbraw/zinc/86/30/92/962863092.db2.gz OEKQEMDBERPGGO-BPNCWPANSA-N 1 0 289.335 1.519 20 5 CDBDRO O=C([C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001341496641 963438530 /nfs/dbraw/zinc/43/85/30/963438530.db2.gz LRGKTYSJJUIVAH-IACUBPJLSA-N 1 0 287.319 1.578 20 5 CDBDRO C[C@@H](NC(=O)[C@H]1[NH2+]CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001341740180 963526157 /nfs/dbraw/zinc/52/61/57/963526157.db2.gz MRYDCSSXFQMGTM-BXKDBHETSA-N 1 0 277.324 1.770 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1SC ZINC001341957956 963590023 /nfs/dbraw/zinc/59/00/23/963590023.db2.gz LVUYBKKZVGWXQO-UHFFFAOYSA-N 1 0 297.380 1.998 20 5 CDBDRO C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001342519689 963757366 /nfs/dbraw/zinc/75/73/66/963757366.db2.gz UOSNVUNICNEXFL-QWRGUYRKSA-N 1 0 277.324 1.772 20 5 CDBDRO CC[C@@H](CO)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001351141081 966865147 /nfs/dbraw/zinc/86/51/47/966865147.db2.gz CRUIUTFUYHPDMB-LBPRGKRZSA-N 1 0 250.298 1.724 20 5 CDBDRO CC[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)[NH+]1CCCC1 ZINC001354069740 968453064 /nfs/dbraw/zinc/45/30/64/968453064.db2.gz IRMYGIQRTHXXAM-SNVBAGLBSA-N 1 0 279.344 1.858 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000124383195 187135009 /nfs/dbraw/zinc/13/50/09/187135009.db2.gz KCCDXRUZHQZSFL-LLVKDONJSA-N 1 0 293.323 1.184 20 5 CDBDRO C[NH+](C)CC1(Nc2ncccc2[N+](=O)[O-])CCC1 ZINC000281705325 282080216 /nfs/dbraw/zinc/08/02/16/282080216.db2.gz BZUOFBKOWXBHAT-UHFFFAOYSA-N 1 0 250.302 1.886 20 5 CDBDRO COCC[N@@H+]1CC[C@@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000601114930 342471782 /nfs/dbraw/zinc/47/17/82/342471782.db2.gz BHAWBNJQTRXSMT-SECBINFHSA-N 1 0 271.342 1.789 20 5 CDBDRO Cc1nn(C)c(N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000601184005 342489131 /nfs/dbraw/zinc/48/91/31/342489131.db2.gz FELFKMQHMCKENK-MNOVXSKESA-N 1 0 279.344 1.025 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000600191674 341984122 /nfs/dbraw/zinc/98/41/22/341984122.db2.gz MHPBYGIDZSLLLC-IIURJATOSA-N 1 0 278.308 1.036 20 5 CDBDRO CSc1ccc(C(=O)N2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000124431915 187137270 /nfs/dbraw/zinc/13/72/70/187137270.db2.gz XIYYFUAJOUOAQW-SECBINFHSA-N 1 0 295.364 1.751 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000589879255 342516201 /nfs/dbraw/zinc/51/62/01/342516201.db2.gz YNNUHZITNPDJOL-AWEZNQCLSA-N 1 0 293.371 1.652 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1COC[C@@H]1O ZINC000601291455 342549538 /nfs/dbraw/zinc/54/95/38/342549538.db2.gz JYQSTVXBXCGPHI-BIMULSAOSA-N 1 0 266.297 1.314 20 5 CDBDRO C[NH+](C)[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1ccco1 ZINC000590570303 342577113 /nfs/dbraw/zinc/57/71/13/342577113.db2.gz ZGAZPGPJMKWXLS-JTQLQIEISA-N 1 0 291.311 1.302 20 5 CDBDRO Nc1ccc(N2CCC(c3ncc[nH]3)CC2)nc1[N+](=O)[O-] ZINC000590575810 342577195 /nfs/dbraw/zinc/57/71/95/342577195.db2.gz USQLAKGYKVMQPD-UHFFFAOYSA-N 1 0 288.311 1.679 20 5 CDBDRO CC1CC[NH+](C[C@H](O)CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000067373180 342048827 /nfs/dbraw/zinc/04/88/27/342048827.db2.gz KMUPZAZNHCOBGP-CYBMUJFWSA-N 1 0 294.355 1.495 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC000590703687 342582519 /nfs/dbraw/zinc/58/25/19/342582519.db2.gz SFXIDIMZCSQQOV-JTQLQIEISA-N 1 0 265.317 1.224 20 5 CDBDRO O=[N+]([O-])c1ncccc1NCCC[NH+]1CCC(O)CC1 ZINC000609075055 342089863 /nfs/dbraw/zinc/08/98/63/342089863.db2.gz QJHLCHSECZOGRW-UHFFFAOYSA-N 1 0 280.328 1.249 20 5 CDBDRO Cc1ccnc(N2CC[C@@H]3CC[NH2+][C@H]3C2)c1[N+](=O)[O-] ZINC000591438160 342631994 /nfs/dbraw/zinc/63/19/94/342631994.db2.gz MBMHBPNREWRVTI-QWRGUYRKSA-N 1 0 262.313 1.486 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000294966625 199274690 /nfs/dbraw/zinc/27/46/90/199274690.db2.gz GEHHWHLFJHVCNA-VIFPVBQESA-N 1 0 263.297 1.982 20 5 CDBDRO COc1cc(N2CC[C@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000591438100 342632014 /nfs/dbraw/zinc/63/20/14/342632014.db2.gz KYAWKTNFNIJDDZ-MWLCHTKSSA-N 1 0 295.314 1.931 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000591361341 342628373 /nfs/dbraw/zinc/62/83/73/342628373.db2.gz VVNUVNZHFUJSBJ-JTQLQIEISA-N 1 0 280.328 1.126 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000591344096 342628627 /nfs/dbraw/zinc/62/86/27/342628627.db2.gz DVTARAUWWVOXDP-BDAKNGLRSA-N 1 0 266.301 1.302 20 5 CDBDRO O=[N+]([O-])c1cccc(OCCN2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000591447840 342632837 /nfs/dbraw/zinc/63/28/37/342632837.db2.gz AMBHMJLLKUCYQE-DOMZBBRYSA-N 1 0 291.351 1.657 20 5 CDBDRO C[C@H](NC[C@@H]1C[C@H](F)C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000591581766 342637898 /nfs/dbraw/zinc/63/78/98/342637898.db2.gz RFQDEZWRLVZKKZ-DLOVCJGASA-N 1 0 267.304 1.945 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCC2CC2)c1 ZINC000591744530 342645068 /nfs/dbraw/zinc/64/50/68/342645068.db2.gz GZHIPNBPQJWPRQ-ZDUSSCGKSA-N 1 0 280.324 1.724 20 5 CDBDRO [NH3+][C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000261982304 342150568 /nfs/dbraw/zinc/15/05/68/342150568.db2.gz WNCYWXSAAVSUCH-GFCCVEGCSA-N 1 0 297.742 1.644 20 5 CDBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000592275916 342682935 /nfs/dbraw/zinc/68/29/35/342682935.db2.gz XFTYIPQPIIYAEG-KCJUWKMLSA-N 1 0 297.742 1.862 20 5 CDBDRO CC[NH2+]CCCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000592289553 342683762 /nfs/dbraw/zinc/68/37/62/342683762.db2.gz ONADMWGSFISEEV-UHFFFAOYSA-N 1 0 279.340 1.643 20 5 CDBDRO Nc1c(-c2nc([C@@H]3CCC[NH2+]3)no2)cc(F)cc1[N+](=O)[O-] ZINC000592356609 342687933 /nfs/dbraw/zinc/68/79/33/342687933.db2.gz AKLRTFPVFVLMRV-QMMMGPOBSA-N 1 0 293.258 1.791 20 5 CDBDRO CC(C)[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000592484963 342695846 /nfs/dbraw/zinc/69/58/46/342695846.db2.gz KZCQZVGCPNDXRU-OAHLLOKOSA-N 1 0 293.367 1.903 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCCC[C@H]1CO ZINC000157002233 342176043 /nfs/dbraw/zinc/17/60/43/342176043.db2.gz XLSFLGBHCQXKBM-LBPRGKRZSA-N 1 0 282.344 1.337 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000382462919 361931534 /nfs/dbraw/zinc/93/15/34/361931534.db2.gz XUYZTGXLXXOIPJ-QWRGUYRKSA-N 1 0 277.324 1.760 20 5 CDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000594003661 342862388 /nfs/dbraw/zinc/86/23/88/342862388.db2.gz KAJVRJWWFOLKGT-VXGBXAGGSA-N 1 0 291.307 1.985 20 5 CDBDRO CON1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000323400224 342879847 /nfs/dbraw/zinc/87/98/47/342879847.db2.gz UGICKNKZUAWVQH-UHFFFAOYSA-N 1 0 279.340 1.753 20 5 CDBDRO Cn1cnc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000588924857 342224627 /nfs/dbraw/zinc/22/46/27/342224627.db2.gz KYSQYOCRIFBZRZ-UHFFFAOYSA-N 1 0 260.297 1.661 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2COCCN2)cc1[N+](=O)[O-] ZINC000600710402 342243694 /nfs/dbraw/zinc/24/36/94/342243694.db2.gz OGGMFLOMGZPEMV-YPMHNXCESA-N 1 0 279.340 1.542 20 5 CDBDRO C[C@@]1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCC(=O)N1 ZINC000453594127 252328339 /nfs/dbraw/zinc/32/83/39/252328339.db2.gz WOYLXDPTJIEPKU-DRDHIDPGSA-N 1 0 289.335 1.866 20 5 CDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H](O)C1CC1 ZINC000079768024 342232848 /nfs/dbraw/zinc/23/28/48/342232848.db2.gz MHRWQIDGALHEQH-CQSZACIVSA-N 1 0 280.324 1.676 20 5 CDBDRO Nc1nc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)ncc1[N+](=O)[O-] ZINC000594602487 342924159 /nfs/dbraw/zinc/92/41/59/342924159.db2.gz QSXLDDZRHLMWMC-NXEZZACHSA-N 1 0 292.343 1.226 20 5 CDBDRO COCC[N@@H+]1CCC[C@@H](Nc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000080601188 342268276 /nfs/dbraw/zinc/26/82/76/342268276.db2.gz YHQYLLQJJYGOHQ-GFCCVEGCSA-N 1 0 294.355 1.821 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000092956482 342270369 /nfs/dbraw/zinc/27/03/69/342270369.db2.gz VORRQLDGKDGTKD-GXSJLCMTSA-N 1 0 263.297 1.209 20 5 CDBDRO Cc1c(NC(=O)[C@@H]2CC[NH2+][C@@H]2C)cccc1[N+](=O)[O-] ZINC000092952527 342270422 /nfs/dbraw/zinc/27/04/22/342270422.db2.gz DZTHWNKCZFTCBV-NXEZZACHSA-N 1 0 263.297 1.840 20 5 CDBDRO C[C@H](NC(=O)[C@H]1CC[NH2+][C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000092953395 342270443 /nfs/dbraw/zinc/27/04/43/342270443.db2.gz VCYFTRVWTKFBAW-CWSCBRNRSA-N 1 0 277.324 1.770 20 5 CDBDRO CC(C)(C)[C@H]([NH3+])c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594651641 342933043 /nfs/dbraw/zinc/93/30/43/342933043.db2.gz FDEIQLSZWYKQPU-GFCCVEGCSA-N 1 0 291.311 1.927 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000107856126 349714785 /nfs/dbraw/zinc/71/47/85/349714785.db2.gz AGNZGECUDYWLPE-CHWSQXEVSA-N 1 0 261.325 1.289 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000595274148 343021223 /nfs/dbraw/zinc/02/12/23/343021223.db2.gz PZLFNECOMGXNLY-SECBINFHSA-N 1 0 280.328 1.310 20 5 CDBDRO CCc1ccc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000154129573 529601241 /nfs/dbraw/zinc/60/12/41/529601241.db2.gz GVWRDYDMZCWKMT-QWRGUYRKSA-N 1 0 291.351 1.980 20 5 CDBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CNC(=O)C1 ZINC000595296053 343026839 /nfs/dbraw/zinc/02/68/39/343026839.db2.gz WWBGZDHHDUVBBW-CYBMUJFWSA-N 1 0 291.351 1.941 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1CC[NH3+] ZINC000404276928 349769787 /nfs/dbraw/zinc/76/97/87/349769787.db2.gz NRYHIWSDAPGXRN-VHSXEESVSA-N 1 0 281.312 1.777 20 5 CDBDRO CC(C)([NH2+]C[C@H]1CNC(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000595508547 343080482 /nfs/dbraw/zinc/08/04/82/343080482.db2.gz BFKWMNIOPCBDSE-SNVBAGLBSA-N 1 0 277.324 1.556 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000595541811 343093586 /nfs/dbraw/zinc/09/35/86/343093586.db2.gz CSQPUYLLQNCYBE-DGCLKSJQSA-N 1 0 298.314 1.611 20 5 CDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)c1 ZINC000166812871 362078555 /nfs/dbraw/zinc/07/85/55/362078555.db2.gz VTURGOZMPYBAAF-SNVBAGLBSA-N 1 0 299.352 1.015 20 5 CDBDRO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000595872689 343177067 /nfs/dbraw/zinc/17/70/67/343177067.db2.gz KQNSBQWBRWSKDG-WFASDCNBSA-N 1 0 294.351 1.924 20 5 CDBDRO COc1cc(C(=O)N[C@@]2(C)CC[NH2+]C2)cc([N+](=O)[O-])c1C ZINC000595993617 343213769 /nfs/dbraw/zinc/21/37/69/343213769.db2.gz YMOCHFTUAHBTDB-AWEZNQCLSA-N 1 0 293.323 1.394 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC(C)(C)[NH3+] ZINC000595902591 343187567 /nfs/dbraw/zinc/18/75/67/343187567.db2.gz TXFOCKMEXXJJHE-UHFFFAOYSA-N 1 0 294.355 1.511 20 5 CDBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CC1(C)C ZINC000595912460 343190349 /nfs/dbraw/zinc/19/03/49/343190349.db2.gz MSCOHICTBXLVTD-JQWIXIFHSA-N 1 0 282.344 1.130 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087435220 342385406 /nfs/dbraw/zinc/38/54/06/342385406.db2.gz KTTVYAFDRNJXFU-UHFFFAOYSA-N 1 0 279.340 1.547 20 5 CDBDRO CC[N@H+](C)CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000091461607 342402446 /nfs/dbraw/zinc/40/24/46/342402446.db2.gz QPHBLHUNSQLJPP-UHFFFAOYSA-N 1 0 264.289 1.001 20 5 CDBDRO COc1cc(N2C[C@H](C[NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000216206720 342439384 /nfs/dbraw/zinc/43/93/84/342439384.db2.gz MGRRWMKWOOPPRP-ZJUUUORDSA-N 1 0 265.313 1.777 20 5 CDBDRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000221511958 342415539 /nfs/dbraw/zinc/41/55/39/342415539.db2.gz GUTABHFLJMHAAD-YRGRVCCFSA-N 1 0 296.371 1.711 20 5 CDBDRO C[C@H](NC(=O)C1([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000596842256 343401888 /nfs/dbraw/zinc/40/18/88/343401888.db2.gz LSLMYKCIEMSBHN-JTQLQIEISA-N 1 0 277.324 1.866 20 5 CDBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CCn1cc([N+](=O)[O-])cn1 ZINC000367582953 362190097 /nfs/dbraw/zinc/19/00/97/362190097.db2.gz ACRPDPXJOZMENG-GOCOPAARSA-N 1 0 292.339 1.147 20 5 CDBDRO [NH3+][C@]12CCC[C@H]1CN(CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000598684981 343864859 /nfs/dbraw/zinc/86/48/59/343864859.db2.gz ZOCLMFSDJGTVEZ-ZFWWWQNUSA-N 1 0 275.352 1.951 20 5 CDBDRO Cc1n[nH]c(C(=O)NC(C)(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000598738326 343892581 /nfs/dbraw/zinc/89/25/81/343892581.db2.gz JQPXXIMODPUTFA-UHFFFAOYSA-N 1 0 297.359 1.477 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598915776 343920153 /nfs/dbraw/zinc/92/01/53/343920153.db2.gz OPLIWQCHWSCWAL-DTWKUNHWSA-N 1 0 296.302 1.935 20 5 CDBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000159546988 362286360 /nfs/dbraw/zinc/28/63/60/362286360.db2.gz JQKURKJZMLVDDN-MWLCHTKSSA-N 1 0 295.339 1.543 20 5 CDBDRO C[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000164486121 362287452 /nfs/dbraw/zinc/28/74/52/362287452.db2.gz BRYYEEUYLPVATF-VIFPVBQESA-N 1 0 263.297 1.067 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000599988480 344160445 /nfs/dbraw/zinc/16/04/45/344160445.db2.gz FOLLXOPZJIMIHM-NHAGDIPZSA-N 1 0 289.335 1.156 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601561846 344192002 /nfs/dbraw/zinc/19/20/02/344192002.db2.gz CIYFVPKFPZUDIN-PHIMTYICSA-N 1 0 290.323 1.871 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602420791 344419971 /nfs/dbraw/zinc/41/99/71/344419971.db2.gz HAEFMIQNHSJQFS-SNVBAGLBSA-N 1 0 295.314 1.806 20 5 CDBDRO CC[NH2+][C@@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000602441253 344418455 /nfs/dbraw/zinc/41/84/55/344418455.db2.gz VMTAUMWDZHJYDR-VIFPVBQESA-N 1 0 251.286 1.209 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000602595308 344502341 /nfs/dbraw/zinc/50/23/41/344502341.db2.gz HOKPDIAAVXFGCC-XVKPBYJWSA-N 1 0 283.715 1.810 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602497136 344441575 /nfs/dbraw/zinc/44/15/75/344441575.db2.gz YDWQWYVECVHNPR-SSDOTTSWSA-N 1 0 255.249 1.201 20 5 CDBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000602492187 344450726 /nfs/dbraw/zinc/45/07/26/344450726.db2.gz URPSGGQSYUWLCA-ONGXEEELSA-N 1 0 293.298 1.558 20 5 CDBDRO CC[C@@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CCS1 ZINC000602779145 344594681 /nfs/dbraw/zinc/59/46/81/344594681.db2.gz BIGIDNADWSXALV-LLVKDONJSA-N 1 0 284.385 1.927 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCSC[C@H]1C ZINC000602780733 344596214 /nfs/dbraw/zinc/59/62/14/344596214.db2.gz QYKKCCOYZDGICL-SECBINFHSA-N 1 0 270.358 1.537 20 5 CDBDRO CCCCC[N@H+](CCO)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602786083 344599186 /nfs/dbraw/zinc/59/91/86/344599186.db2.gz LUSRAUOWMCBNBE-UHFFFAOYSA-N 1 0 284.360 1.584 20 5 CDBDRO COC[C@@H]1CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602916392 344648460 /nfs/dbraw/zinc/64/84/60/344648460.db2.gz SZKLNHHUPVBLGH-NSHDSACASA-N 1 0 268.317 1.211 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CSCC[NH2+]1 ZINC000603420233 344799737 /nfs/dbraw/zinc/79/97/37/344799737.db2.gz QYEPGVIBAAGGKU-SECBINFHSA-N 1 0 285.373 1.237 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CSCC[NH2+]1 ZINC000603418571 344807725 /nfs/dbraw/zinc/80/77/25/344807725.db2.gz GLAUERYIXSUOAI-VIFPVBQESA-N 1 0 285.373 1.237 20 5 CDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C1 ZINC000127272101 187293029 /nfs/dbraw/zinc/29/30/29/187293029.db2.gz FCWQOMBRWBCFCQ-LBPRGKRZSA-N 1 0 292.339 1.265 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000127263013 187293175 /nfs/dbraw/zinc/29/31/75/187293175.db2.gz NJPFBFDMHBJQQM-SNVBAGLBSA-N 1 0 293.327 1.405 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2CCOCC2)c1 ZINC000603842664 344838218 /nfs/dbraw/zinc/83/82/18/344838218.db2.gz HOMUTYTUDRCCEE-ZDUSSCGKSA-N 1 0 296.323 1.103 20 5 CDBDRO Cn1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000041159591 345055193 /nfs/dbraw/zinc/05/51/93/345055193.db2.gz IQHIFVBUUXSWMB-UHFFFAOYSA-N 1 0 276.296 1.497 20 5 CDBDRO CC[C@]1(C)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000344212423 362555506 /nfs/dbraw/zinc/55/55/06/362555506.db2.gz CNJPUGWQURYZNL-GFCCVEGCSA-N 1 0 252.318 1.913 20 5 CDBDRO C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000537944269 282391182 /nfs/dbraw/zinc/39/11/82/282391182.db2.gz UUQHAWNOYFWCSC-VHSXEESVSA-N 1 0 286.353 1.679 20 5 CDBDRO Cc1ccc(C(=O)N[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000230730889 345440436 /nfs/dbraw/zinc/44/04/36/345440436.db2.gz OGCSBMAKOFLYMG-ZDUSSCGKSA-N 1 0 263.297 1.385 20 5 CDBDRO CC[C@](C)(O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000087027772 345566876 /nfs/dbraw/zinc/56/68/76/345566876.db2.gz KEFPGLFCMBWIBE-ZDUSSCGKSA-N 1 0 252.314 1.888 20 5 CDBDRO COc1ccc(C(=O)N[C@@](C)(C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000127458293 187307379 /nfs/dbraw/zinc/30/73/79/187307379.db2.gz RQGWHVVWBSJCNE-AWEZNQCLSA-N 1 0 295.339 1.707 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)[C@@H]1CCOC1 ZINC000539071485 282446175 /nfs/dbraw/zinc/44/61/75/282446175.db2.gz QDHPHBHFKBWRBN-ZOWXZIJZSA-N 1 0 294.351 1.951 20 5 CDBDRO CNC(=O)c1ccc(N2C[C@@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000212662642 346237441 /nfs/dbraw/zinc/23/74/41/346237441.db2.gz RUVCFMWFZSRQLR-NXEZZACHSA-N 1 0 292.339 1.128 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CCCCC2)c1 ZINC000037872797 346369450 /nfs/dbraw/zinc/36/94/50/346369450.db2.gz QGBLZASINVWNIU-GFCCVEGCSA-N 1 0 268.317 1.075 20 5 CDBDRO CC[NH+](CC)CCNc1ncc([N+](=O)[O-])cc1F ZINC000413024411 362736113 /nfs/dbraw/zinc/73/61/13/362736113.db2.gz MMPRAZQJNILTAF-UHFFFAOYSA-N 1 0 256.281 1.883 20 5 CDBDRO COc1ccc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000611140031 346618323 /nfs/dbraw/zinc/61/83/23/346618323.db2.gz KVYZDSGHLNYAGI-UHFFFAOYSA-N 1 0 291.311 1.327 20 5 CDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCOC1 ZINC000090517930 347742795 /nfs/dbraw/zinc/74/27/95/347742795.db2.gz MIWHUMNZCUOEFF-GFCCVEGCSA-N 1 0 295.339 1.115 20 5 CDBDRO Cc1ncc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)s1 ZINC000090540001 347750961 /nfs/dbraw/zinc/75/09/61/347750961.db2.gz SIDPFOVHMUKNDS-QMMMGPOBSA-N 1 0 281.341 1.907 20 5 CDBDRO Cc1cscc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000094880996 347782532 /nfs/dbraw/zinc/78/25/32/347782532.db2.gz RRQXGHPINSJGBD-GFCCVEGCSA-N 1 0 296.352 1.312 20 5 CDBDRO Cc1nn(C)c(N[C@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000090795245 348157543 /nfs/dbraw/zinc/15/75/43/348157543.db2.gz URSHFVKPLVZEJE-SCZZXKLOSA-N 1 0 267.333 1.531 20 5 CDBDRO C[C@]1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000128894538 187396461 /nfs/dbraw/zinc/39/64/61/187396461.db2.gz RLULZMQIGYSLFI-HNNXBMFYSA-N 1 0 291.351 1.643 20 5 CDBDRO CCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000046230093 348787631 /nfs/dbraw/zinc/78/76/31/348787631.db2.gz XSZYYQUGGOTVJG-UHFFFAOYSA-N 1 0 250.302 1.522 20 5 CDBDRO C[C@@]1(CNc2ncccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000129354761 362930614 /nfs/dbraw/zinc/93/06/14/362930614.db2.gz WZYOMBDSOZNQKH-GFCCVEGCSA-N 1 0 250.302 1.791 20 5 CDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCOC1 ZINC000090848181 180044319 /nfs/dbraw/zinc/04/43/19/180044319.db2.gz YYKNRWCKJCLAES-WFASDCNBSA-N 1 0 294.351 1.657 20 5 CDBDRO CCc1nn(C)c(NC[C@@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000091561058 180192229 /nfs/dbraw/zinc/19/22/29/180192229.db2.gz MOFUVHGLYZIWJU-MRVPVSSYSA-N 1 0 255.322 1.253 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CC[N@H+](C)C1 ZINC000091549311 180188826 /nfs/dbraw/zinc/18/88/26/180188826.db2.gz MIHKEHIWUWHUCK-SNVBAGLBSA-N 1 0 267.333 1.483 20 5 CDBDRO CC[NH+](CC)CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000105592473 186065088 /nfs/dbraw/zinc/06/50/88/186065088.db2.gz SWNNGGFXIBDAGH-UHFFFAOYSA-N 1 0 294.355 1.465 20 5 CDBDRO COc1cccc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2F)c1[N+](=O)[O-] ZINC001579260289 1172128694 /nfs/dbraw/zinc/12/86/94/1172128694.db2.gz ZAYRUBYTKHQDFS-UWVGGRQHSA-N 1 0 297.286 1.033 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000364128327 362958673 /nfs/dbraw/zinc/95/86/73/362958673.db2.gz DPBFCFOCWLWWGK-LBPRGKRZSA-N 1 0 289.335 1.905 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000109066244 186242802 /nfs/dbraw/zinc/24/28/02/186242802.db2.gz NUDXEAXHOVKCDM-AOOOYVTPSA-N 1 0 263.297 1.417 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000123796219 351287113 /nfs/dbraw/zinc/28/71/13/351287113.db2.gz AENXONHKCCENNQ-PSASIEDQSA-N 1 0 271.342 1.204 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000124764341 351369672 /nfs/dbraw/zinc/36/96/72/351369672.db2.gz NPGUAYFUZAVCQO-JGVFFNPUSA-N 1 0 253.258 1.140 20 5 CDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000122196789 187020416 /nfs/dbraw/zinc/02/04/16/187020416.db2.gz JREAJDMENGSDTI-LLVKDONJSA-N 1 0 271.342 1.760 20 5 CDBDRO CN1CC[N@H+](C)C[C@H]1CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000122604921 187040677 /nfs/dbraw/zinc/04/06/77/187040677.db2.gz HSSYIABAYDFXLR-LLVKDONJSA-N 1 0 298.774 1.906 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000122620771 187041861 /nfs/dbraw/zinc/04/18/61/187041861.db2.gz RDXHHDJFYBAXHN-SECBINFHSA-N 1 0 269.326 1.480 20 5 CDBDRO C[C@@H]1CC[C@@H](C)[NH+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000123313747 187084217 /nfs/dbraw/zinc/08/42/17/187084217.db2.gz QHBYZXZVSKJYSQ-CKYFFXLPSA-N 1 0 268.317 1.025 20 5 CDBDRO [NH3+][C@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000123892600 187113590 /nfs/dbraw/zinc/11/35/90/187113590.db2.gz RYOYTCBTZITWLK-JTQLQIEISA-N 1 0 255.705 1.781 20 5 CDBDRO Cc1c(C[N@@H+](CCO)C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000289661318 363167287 /nfs/dbraw/zinc/16/72/87/363167287.db2.gz FIUQHCJKUAZBAA-JTQLQIEISA-N 1 0 268.313 1.078 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000135236563 187809963 /nfs/dbraw/zinc/80/99/63/187809963.db2.gz AJUVXJUAOCNLSO-MFKMUULPSA-N 1 0 277.324 1.713 20 5 CDBDRO CC(C)([NH2+]CCN1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000292189417 198195653 /nfs/dbraw/zinc/19/56/53/198195653.db2.gz RHNMZNIYUOKWDK-UHFFFAOYSA-N 1 0 293.367 1.752 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000153381296 188079054 /nfs/dbraw/zinc/07/90/54/188079054.db2.gz BNBACPBHQUDRDA-PHIMTYICSA-N 1 0 250.302 1.523 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000295164621 199381180 /nfs/dbraw/zinc/38/11/80/199381180.db2.gz FGUATEDWTDFDSO-MRVPVSSYSA-N 1 0 291.311 1.328 20 5 CDBDRO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293722297 363208018 /nfs/dbraw/zinc/20/80/18/363208018.db2.gz MNLNDMPUOWEBPY-IGJMFERPSA-N 1 0 299.396 1.940 20 5 CDBDRO COc1cc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000156729492 188278426 /nfs/dbraw/zinc/27/84/26/188278426.db2.gz BXBMEKWOQITRPC-GHMZBOCLSA-N 1 0 293.323 1.461 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC([NH+](C)C)C1 ZINC000158408361 188374465 /nfs/dbraw/zinc/37/44/65/188374465.db2.gz SFZNHZFWMQNSBK-UHFFFAOYSA-N 1 0 263.297 1.289 20 5 CDBDRO COC1(C)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000271689417 191277931 /nfs/dbraw/zinc/27/79/31/191277931.db2.gz DYOUMTBIFMFNLH-UHFFFAOYSA-N 1 0 268.317 1.292 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000159155048 188411127 /nfs/dbraw/zinc/41/11/27/188411127.db2.gz YWLSZQQIPNRQMK-OAHLLOKOSA-N 1 0 289.335 1.729 20 5 CDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286239931 356235822 /nfs/dbraw/zinc/23/58/22/356235822.db2.gz TYOGYPRAJDLSTK-JTQLQIEISA-N 1 0 295.343 1.264 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H](C)N1C ZINC000358705843 356324088 /nfs/dbraw/zinc/32/40/88/356324088.db2.gz AKWJZSCDEPTKBC-RKDXNWHRSA-N 1 0 266.301 1.088 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCC(N)=O ZINC000286443674 356423361 /nfs/dbraw/zinc/42/33/61/356423361.db2.gz LXCRXLXDVLKTAU-SECBINFHSA-N 1 0 251.286 1.463 20 5 CDBDRO C[C@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000163582124 356916468 /nfs/dbraw/zinc/91/64/68/356916468.db2.gz UWVRHXHHPRVTNR-VHSXEESVSA-N 1 0 295.314 1.791 20 5 CDBDRO CC[N@H+](CCNC(=O)c1c(N)cccc1[N+](=O)[O-])C1CC1 ZINC000181034603 357305672 /nfs/dbraw/zinc/30/56/72/357305672.db2.gz XRJIAVASYYTLKL-UHFFFAOYSA-N 1 0 292.339 1.391 20 5 CDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000181917986 357390083 /nfs/dbraw/zinc/39/00/83/357390083.db2.gz OPDNXVCNMVTOEO-LBPRGKRZSA-N 1 0 280.324 1.819 20 5 CDBDRO CC(C)[N@H+](CCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182174619 357415373 /nfs/dbraw/zinc/41/53/73/357415373.db2.gz BJCCSMUEYUCCFZ-LBPRGKRZSA-N 1 0 298.339 1.037 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000149450001 357448260 /nfs/dbraw/zinc/44/82/60/357448260.db2.gz PFIDWKKVWPJPHY-YUMQZZPRSA-N 1 0 268.704 1.299 20 5 CDBDRO COCC1=CC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000185893591 357589771 /nfs/dbraw/zinc/58/97/71/357589771.db2.gz XFGLLAXXRQDCCB-UHFFFAOYSA-N 1 0 266.301 1.070 20 5 CDBDRO CC1(CO)CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000186915059 357705461 /nfs/dbraw/zinc/70/54/61/357705461.db2.gz GDJQGUKXZZTRDP-CQSZACIVSA-N 1 0 294.351 1.723 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCS2(=O)=O)cc1 ZINC000126694740 357985935 /nfs/dbraw/zinc/98/59/35/357985935.db2.gz KPYBWNYQBJXEFA-GFCCVEGCSA-N 1 0 284.337 1.262 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000127191943 358227583 /nfs/dbraw/zinc/22/75/83/358227583.db2.gz BVSDDXAIBNXYRN-JTQLQIEISA-N 1 0 283.715 1.730 20 5 CDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)CC1CCC1 ZINC000361480827 358230608 /nfs/dbraw/zinc/23/06/08/358230608.db2.gz GOUDWOCSCASTBV-UHFFFAOYSA-N 1 0 252.318 1.913 20 5 CDBDRO COC[C@@H](O)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193063431 358261536 /nfs/dbraw/zinc/26/15/36/358261536.db2.gz CLJSSZJSBHJOET-ZFWWWQNUSA-N 1 0 294.351 1.959 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195268984 358423310 /nfs/dbraw/zinc/42/33/10/358423310.db2.gz JVAHVALPVFLBHE-DTORHVGOSA-N 1 0 295.726 1.540 20 5 CDBDRO CN(CC[NH+]1CCCCC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000593882427 358617623 /nfs/dbraw/zinc/61/76/23/358617623.db2.gz GQNLYQPTDTVFSI-UHFFFAOYSA-N 1 0 294.355 1.491 20 5 CDBDRO CC(C)C[C@H]([NH3+])C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000567045842 358622470 /nfs/dbraw/zinc/62/24/70/358622470.db2.gz FVKHRIKLARLTFH-ZDUSSCGKSA-N 1 0 295.339 1.463 20 5 CDBDRO CC(C)n1cc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000541643638 358679681 /nfs/dbraw/zinc/67/96/81/358679681.db2.gz DCARQARWDQKGRJ-LLVKDONJSA-N 1 0 292.343 1.920 20 5 CDBDRO C[NH+](C)CCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000567751973 358730674 /nfs/dbraw/zinc/73/06/74/358730674.db2.gz UCKVGSYRCCPFMB-UHFFFAOYSA-N 1 0 264.329 1.842 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH3+])C2CC2)c1 ZINC000159177323 358781224 /nfs/dbraw/zinc/78/12/24/358781224.db2.gz WVSLRSDJCNJXIS-NSHDSACASA-N 1 0 295.364 1.784 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000104114121 358947290 /nfs/dbraw/zinc/94/72/90/358947290.db2.gz ZYGKTUXPZQEZBR-SNVBAGLBSA-N 1 0 278.312 1.668 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000104225119 358952344 /nfs/dbraw/zinc/95/23/44/358952344.db2.gz OQYJBGRCGRFUJK-SECBINFHSA-N 1 0 251.286 1.370 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)[C@H]1CCOC1 ZINC000539071474 358954079 /nfs/dbraw/zinc/95/40/79/358954079.db2.gz QDHPHBHFKBWRBN-HUBLWGQQSA-N 1 0 294.351 1.951 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000265027628 358981587 /nfs/dbraw/zinc/98/15/87/358981587.db2.gz ZJVQAGWZRNDPML-VIFPVBQESA-N 1 0 291.311 1.519 20 5 CDBDRO C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000381465063 359048609 /nfs/dbraw/zinc/04/86/09/359048609.db2.gz JUTZPJXLMWVITB-AIYFBYTFSA-N 1 0 263.297 1.460 20 5 CDBDRO CN(CC[C@H]1CCCO1)Cc1c([N+](=O)[O-])ncn1C ZINC000342580431 359119775 /nfs/dbraw/zinc/11/97/75/359119775.db2.gz DSOVVCRAOPMJHJ-SNVBAGLBSA-N 1 0 268.317 1.329 20 5 CDBDRO CO[C@H]1C[C@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000451851866 359086385 /nfs/dbraw/zinc/08/63/85/359086385.db2.gz NDQCDUJTMGALSM-RYUDHWBXSA-N 1 0 294.355 1.681 20 5 CDBDRO CC(C)CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000075637665 359289402 /nfs/dbraw/zinc/28/94/02/359289402.db2.gz VOTDWNOQSDAKEZ-CQSZACIVSA-N 1 0 296.371 1.663 20 5 CDBDRO C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000050163055 359352595 /nfs/dbraw/zinc/35/25/95/359352595.db2.gz FOJHXCGYCOZUAH-RKDXNWHRSA-N 1 0 283.353 1.774 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC[C@H]21 ZINC000408338064 359467528 /nfs/dbraw/zinc/46/75/28/359467528.db2.gz ISDLTZGAKPCEGT-GXFFZTMASA-N 1 0 292.339 1.479 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000332739060 359497302 /nfs/dbraw/zinc/49/73/02/359497302.db2.gz YCHQFHJLSKVTPH-SNVBAGLBSA-N 1 0 268.317 1.064 20 5 CDBDRO Nc1c(C(=O)NCCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000157304956 237101474 /nfs/dbraw/zinc/10/14/74/237101474.db2.gz IPPXLRNXDFCCDI-UHFFFAOYSA-N 1 0 292.339 1.393 20 5 CDBDRO Cc1c(C[N@@H+]2CC[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000051887244 359949537 /nfs/dbraw/zinc/94/95/37/359949537.db2.gz VKNBRPVZNMPJOH-NSHDSACASA-N 1 0 250.298 1.717 20 5 CDBDRO C[C@H](CC(N)=O)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135716467 359950941 /nfs/dbraw/zinc/95/09/41/359950941.db2.gz GVIOLWCUIJYEQK-RKDXNWHRSA-N 1 0 251.286 1.509 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCN1CCSCC1 ZINC000226247429 359951710 /nfs/dbraw/zinc/95/17/10/359951710.db2.gz FOXOCKNMEZGXGP-UHFFFAOYSA-N 1 0 281.381 1.733 20 5 CDBDRO [NH3+]C[C@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000050249901 283519186 /nfs/dbraw/zinc/51/91/86/283519186.db2.gz JHXDEWWEKVHFBL-SNVBAGLBSA-N 1 0 272.308 1.928 20 5 CDBDRO C[C@@H]([NH3+])CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000178621504 189131912 /nfs/dbraw/zinc/13/19/12/189131912.db2.gz BUZJXRDXRJIXTB-SNVBAGLBSA-N 1 0 265.313 1.381 20 5 CDBDRO CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180434340 189255464 /nfs/dbraw/zinc/25/54/64/189255464.db2.gz ACRDIOFJKLWGCD-VIFPVBQESA-N 1 0 294.311 1.091 20 5 CDBDRO CCc1n[nH]c(C(=O)NCC[N@@H+](CC)C(C)C)c1[N+](=O)[O-] ZINC000345600858 361238762 /nfs/dbraw/zinc/23/87/62/361238762.db2.gz PLPUJPQCZGHBIE-UHFFFAOYSA-N 1 0 297.359 1.340 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000237322146 361241494 /nfs/dbraw/zinc/24/14/94/361241494.db2.gz TWHGCZJJZZFKSD-NSHDSACASA-N 1 0 294.355 1.498 20 5 CDBDRO CC[NH+](CC)CCCNc1c([N+](=O)[O-])ncn1C ZINC000035121769 361265160 /nfs/dbraw/zinc/26/51/60/361265160.db2.gz KCAZZZHVIDJRIB-UHFFFAOYSA-N 1 0 255.322 1.472 20 5 CDBDRO Cc1ccc(NCC[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000295847268 370691698 /nfs/dbraw/zinc/69/16/98/370691698.db2.gz AXZYAXQLBMKZNB-UHFFFAOYSA-N 1 0 279.340 1.772 20 5 CDBDRO C[NH+](C)C1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000134940887 361666822 /nfs/dbraw/zinc/66/68/22/361666822.db2.gz BSXGSCVWKPUFQA-UHFFFAOYSA-N 1 0 277.324 1.300 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000137110983 363812987 /nfs/dbraw/zinc/81/29/87/363812987.db2.gz FAVIRXZWWGWLIM-MFKMUULPSA-N 1 0 277.324 1.713 20 5 CDBDRO CC[NH+](CC)C[C@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000302163247 201374750 /nfs/dbraw/zinc/37/47/50/201374750.db2.gz QDMHFLAAOSOVFW-LLVKDONJSA-N 1 0 279.344 1.553 20 5 CDBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CCn1cc([N+](=O)[O-])cn1 ZINC000367582956 363993532 /nfs/dbraw/zinc/99/35/32/363993532.db2.gz ACRPDPXJOZMENG-SZZQBSIJSA-N 1 0 292.339 1.147 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000582241564 364077515 /nfs/dbraw/zinc/07/75/15/364077515.db2.gz YKNQLMGMDPJHQZ-JGVFFNPUSA-N 1 0 284.291 1.981 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CO)[C@@H]2CCCOC2)cc1 ZINC000411996572 239899167 /nfs/dbraw/zinc/89/91/67/239899167.db2.gz SCWPRFADIHGXIX-HIFRSBDPSA-N 1 0 294.351 1.514 20 5 CDBDRO C[N@@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000271002279 366954905 /nfs/dbraw/zinc/95/49/05/366954905.db2.gz GJTUWNLNYZFHBK-UHFFFAOYSA-N 1 0 293.367 2.000 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[NH3+] ZINC000414662091 241310337 /nfs/dbraw/zinc/31/03/37/241310337.db2.gz YINAQCKVOMAHQK-SSDOTTSWSA-N 1 0 268.273 1.072 20 5 CDBDRO COc1ccc(CN2CC[NH2+]C[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000414767241 241375685 /nfs/dbraw/zinc/37/56/85/241375685.db2.gz JHWFRUPIXRDOQS-AWEZNQCLSA-N 1 0 297.330 1.737 20 5 CDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000272201753 367310935 /nfs/dbraw/zinc/31/09/35/367310935.db2.gz GOAUOHDCVATSDI-IUCAKERBSA-N 1 0 295.343 1.080 20 5 CDBDRO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417139451 242334971 /nfs/dbraw/zinc/33/49/71/242334971.db2.gz OSHTXIVYFQJIGI-ZWNOBZJWSA-N 1 0 292.339 1.789 20 5 CDBDRO O=[N+]([O-])c1ccc(CN(CC2OCCO2)C2CC2)cc1 ZINC000272322252 367679065 /nfs/dbraw/zinc/67/90/65/367679065.db2.gz YYFIXMYKEJXVJC-UHFFFAOYSA-N 1 0 278.308 1.932 20 5 CDBDRO C[C@H](O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000272623018 367783244 /nfs/dbraw/zinc/78/32/44/367783244.db2.gz VABKVNGNVWJDCY-UWVGGRQHSA-N 1 0 268.288 1.937 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000275981150 193180163 /nfs/dbraw/zinc/18/01/63/193180163.db2.gz MSFQRMNBMPVDLL-UHFFFAOYSA-N 1 0 277.324 1.809 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000089091008 368827546 /nfs/dbraw/zinc/82/75/46/368827546.db2.gz KLUZHJUTVLXDEN-VSONXHSHSA-N 1 0 289.335 1.852 20 5 CDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000420287704 244028486 /nfs/dbraw/zinc/02/84/86/244028486.db2.gz RKZWJJPBZKWFFI-IUCAKERBSA-N 1 0 293.327 1.018 20 5 CDBDRO C[NH2+]CCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000420336338 244103561 /nfs/dbraw/zinc/10/35/61/244103561.db2.gz KOXSPQIFIKRHFZ-UHFFFAOYSA-N 1 0 294.355 1.383 20 5 CDBDRO C[NH2+]CCN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000420342425 244113278 /nfs/dbraw/zinc/11/32/78/244113278.db2.gz WZUCYNUZLHZXPZ-JTQLQIEISA-N 1 0 280.328 1.073 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[NH2+]1 ZINC000037668446 369783284 /nfs/dbraw/zinc/78/32/84/369783284.db2.gz JRSYRVCTAQNRAB-GFCCVEGCSA-N 1 0 263.297 1.353 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000037766490 370079537 /nfs/dbraw/zinc/07/95/37/370079537.db2.gz GUNQPFXWLKZFFD-MFKMUULPSA-N 1 0 277.324 1.914 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000095015600 370204650 /nfs/dbraw/zinc/20/46/50/370204650.db2.gz PZFLTZWBMWOVKJ-SNVBAGLBSA-N 1 0 252.270 1.482 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000351865646 370447120 /nfs/dbraw/zinc/44/71/20/370447120.db2.gz ODEPWRMEOUVQMW-VHSXEESVSA-N 1 0 290.323 1.905 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000422600860 245127651 /nfs/dbraw/zinc/12/76/51/245127651.db2.gz VRAMAWGGDKWDBC-UHFFFAOYSA-N 1 0 294.355 1.564 20 5 CDBDRO Cc1c(CC(=O)NC(C)(C)C[NH3+])cccc1[N+](=O)[O-] ZINC000422798216 245266299 /nfs/dbraw/zinc/26/62/99/245266299.db2.gz QDRMQJBTTXQJNY-UHFFFAOYSA-N 1 0 265.313 1.299 20 5 CDBDRO COc1cc(C(=O)NC[C@H]([NH3+])C(C)C)cc([N+](=O)[O-])c1C ZINC000422856907 245339050 /nfs/dbraw/zinc/33/90/50/245339050.db2.gz XLKZPYSMOBGXJK-NSHDSACASA-N 1 0 295.339 1.625 20 5 CDBDRO Cc1c(CC(=O)N(C)CC(C)(C)C[NH3+])cccc1[N+](=O)[O-] ZINC000422893410 245377101 /nfs/dbraw/zinc/37/71/01/245377101.db2.gz QKNRFTUUNUJXLK-UHFFFAOYSA-N 1 0 293.367 1.889 20 5 CDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000266329694 372397228 /nfs/dbraw/zinc/39/72/28/372397228.db2.gz UIGSHAIAPGQGDD-JTQLQIEISA-N 1 0 280.328 1.479 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](CCO)C2CC2)c1 ZINC000269630398 373203719 /nfs/dbraw/zinc/20/37/19/373203719.db2.gz FHRSAMXNDRQGJF-CYBMUJFWSA-N 1 0 266.297 1.085 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1 ZINC000368335970 373312603 /nfs/dbraw/zinc/31/26/03/373312603.db2.gz JXXRZCUAALQCPP-FICVDOATSA-N 1 0 292.335 1.534 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000423678656 245975317 /nfs/dbraw/zinc/97/53/17/245975317.db2.gz LERRCKZJHPNREL-LLVKDONJSA-N 1 0 265.313 1.299 20 5 CDBDRO C[C@@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000417762906 374253214 /nfs/dbraw/zinc/25/32/14/374253214.db2.gz JHFZKJKPIONEGU-LLVKDONJSA-N 1 0 292.339 1.141 20 5 CDBDRO C[NH2+]CCCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000418279430 374259874 /nfs/dbraw/zinc/25/98/74/374259874.db2.gz PEGJWYSHKBDLJH-UHFFFAOYSA-N 1 0 294.355 1.388 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H]3C[C@@H](O)C3)C2)nc1 ZINC000420935032 374304960 /nfs/dbraw/zinc/30/49/60/374304960.db2.gz LEOJALYIZPAQCF-GMXVVIOVSA-N 1 0 292.339 1.247 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000370082829 374377598 /nfs/dbraw/zinc/37/75/98/374377598.db2.gz OMWQQPMDHGKUQT-LSDHHAIUSA-N 1 0 292.335 1.475 20 5 CDBDRO Cc1c(CC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000423477401 374383618 /nfs/dbraw/zinc/38/36/18/374383618.db2.gz TYWGZPPQNSUGEL-JQWIXIFHSA-N 1 0 291.351 1.641 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]([NH3+])C(C)C ZINC000429144635 374568473 /nfs/dbraw/zinc/56/84/73/374568473.db2.gz VEXPSLJDWDZGKC-NSHDSACASA-N 1 0 266.301 1.011 20 5 CDBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000070149056 374649887 /nfs/dbraw/zinc/64/98/87/374649887.db2.gz JXWRGXRMLYKLDT-SECBINFHSA-N 1 0 283.353 2.000 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000070447080 374662604 /nfs/dbraw/zinc/66/26/04/374662604.db2.gz AVEAZFLFYVNWOT-LLVKDONJSA-N 1 0 269.276 1.447 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000277543016 374793888 /nfs/dbraw/zinc/79/38/88/374793888.db2.gz XDFYYPHTWIGBMQ-LASXONHFSA-N 1 0 289.335 1.817 20 5 CDBDRO Cc1nn(CCCN2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000331229918 374910491 /nfs/dbraw/zinc/91/04/91/374910491.db2.gz GZWCXPRYZVNJLU-UHFFFAOYSA-N 1 0 295.387 1.516 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000331591631 374975528 /nfs/dbraw/zinc/97/55/28/374975528.db2.gz XXLUCABHKLPTCH-NSHDSACASA-N 1 0 289.335 1.870 20 5 CDBDRO Nc1c(F)c(NCC[N@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000280334197 374992317 /nfs/dbraw/zinc/99/23/17/374992317.db2.gz VAIQZIULNXBAOQ-UHFFFAOYSA-N 1 0 280.303 1.990 20 5 CDBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1CO ZINC000282583821 375095429 /nfs/dbraw/zinc/09/54/29/375095429.db2.gz WGBNXMNSGMBOOO-ZANVPECISA-N 1 0 268.288 1.937 20 5 CDBDRO CC[N@H+](CCOCCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000282139090 375067542 /nfs/dbraw/zinc/06/75/42/375067542.db2.gz RVPLDIZLUSPPKI-UHFFFAOYSA-N 1 0 282.340 1.468 20 5 CDBDRO CNC(=O)NC(=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000299728014 375198434 /nfs/dbraw/zinc/19/84/34/375198434.db2.gz VPAIABJYWZDNTA-SECBINFHSA-N 1 0 294.311 1.091 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000131576560 375290487 /nfs/dbraw/zinc/29/04/87/375290487.db2.gz PXTJVIOTSMQCNR-YPMHNXCESA-N 1 0 263.341 1.806 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C(C1CC1)C1CC1 ZINC000131608301 375296013 /nfs/dbraw/zinc/29/60/13/375296013.db2.gz KBYLEQAJDOAIOX-UHFFFAOYSA-N 1 0 291.351 1.877 20 5 CDBDRO CCc1nn(C)c(NC[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000226098381 375268968 /nfs/dbraw/zinc/26/89/68/375268968.db2.gz KSOFABJPOQNCPB-SECBINFHSA-N 1 0 267.333 1.397 20 5 CDBDRO C[C@H](NC[C@H](O)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000305119443 375552517 /nfs/dbraw/zinc/55/25/17/375552517.db2.gz JBWQGRZLTJGYPC-GWCFXTLKSA-N 1 0 267.329 1.168 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H]3CCC[C@H]32)n1 ZINC000426459514 247027936 /nfs/dbraw/zinc/02/79/36/247027936.db2.gz KXUIIPFCDLOKGM-WDEREUQCSA-N 1 0 250.302 1.666 20 5 CDBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000354424541 375707783 /nfs/dbraw/zinc/70/77/83/375707783.db2.gz ZYOVKABOWYWKOQ-NSHDSACASA-N 1 0 294.355 1.917 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000354711080 375744144 /nfs/dbraw/zinc/74/41/44/375744144.db2.gz SXFZUCSKOXFJJH-LLVKDONJSA-N 1 0 294.355 1.387 20 5 CDBDRO CC(C)(C)[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000134015554 375803064 /nfs/dbraw/zinc/80/30/64/375803064.db2.gz UYBGYWPIKJUABT-UHFFFAOYSA-N 1 0 279.340 1.723 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000133707602 375814391 /nfs/dbraw/zinc/81/43/91/375814391.db2.gz LXKWHTFSDPPYFD-UHFFFAOYSA-N 1 0 269.276 1.415 20 5 CDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCOC1 ZINC000356874553 375866343 /nfs/dbraw/zinc/86/63/43/375866343.db2.gz QPDKYPAWORJOQK-MNOVXSKESA-N 1 0 268.317 1.196 20 5 CDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCOC1 ZINC000356874552 375867344 /nfs/dbraw/zinc/86/73/44/375867344.db2.gz QPDKYPAWORJOQK-GHMZBOCLSA-N 1 0 268.317 1.196 20 5 CDBDRO C[N@@H+]1CC[C@](O)(CNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000358138507 375952614 /nfs/dbraw/zinc/95/26/14/375952614.db2.gz MZOIXOKNNKYUJP-ZDUSSCGKSA-N 1 0 299.758 1.404 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[NH2+]CCO2)c1 ZINC000134272868 375946139 /nfs/dbraw/zinc/94/61/39/375946139.db2.gz CXLPJHOWBYYRDB-SNVBAGLBSA-N 1 0 251.286 1.304 20 5 CDBDRO C[C@H]([NH2+]C[C@@H](O)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000358048707 375948938 /nfs/dbraw/zinc/94/89/38/375948938.db2.gz PWRMEUWVYSHYHR-ZKYQVNSYSA-N 1 0 280.324 1.643 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](CCO)CCCO ZINC000347375080 376055865 /nfs/dbraw/zinc/05/58/65/376055865.db2.gz ZAVYXUXJTZNPDO-RAXLEYEMSA-N 1 0 294.351 1.675 20 5 CDBDRO O=C1CCC[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)N1 ZINC000433202603 248010043 /nfs/dbraw/zinc/01/00/43/248010043.db2.gz RVWBCTOTTZRBJE-SECBINFHSA-N 1 0 269.326 1.415 20 5 CDBDRO COc1ccc(NC(=O)[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000543929846 377563389 /nfs/dbraw/zinc/56/33/89/377563389.db2.gz ABVFJEZFAOXDTC-SECBINFHSA-N 1 0 279.296 1.494 20 5 CDBDRO C[NH+](C)C[C@@](C)(O)CNc1c(F)cccc1[N+](=O)[O-] ZINC000286346678 377892003 /nfs/dbraw/zinc/89/20/03/377892003.db2.gz WGAFPLGBJMBDEW-LBPRGKRZSA-N 1 0 271.292 1.458 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000040602137 378441378 /nfs/dbraw/zinc/44/13/78/378441378.db2.gz FVMUHGIVKDIARU-SNVBAGLBSA-N 1 0 250.302 1.426 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444144238 250088124 /nfs/dbraw/zinc/08/81/24/250088124.db2.gz VAKANAHYOGJWCZ-DOMZBBRYSA-N 1 0 289.335 1.553 20 5 CDBDRO CCC[NH+](CCC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174646926 379548064 /nfs/dbraw/zinc/54/80/64/379548064.db2.gz USBNPBDREYNIDP-LBPRGKRZSA-N 1 0 270.333 1.274 20 5 CDBDRO CC[NH+]1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000059389361 379654356 /nfs/dbraw/zinc/65/43/56/379654356.db2.gz QPAUONDCCRAUGS-LBPRGKRZSA-N 1 0 293.371 1.428 20 5 CDBDRO CC1(C)C[C@@H]([NH2+]CCOCCO)c2cc([N+](=O)[O-])ccc21 ZINC000279227463 194342907 /nfs/dbraw/zinc/34/29/07/194342907.db2.gz ZONRKAIUYMWZTQ-CQSZACIVSA-N 1 0 294.351 1.916 20 5 CDBDRO C[NH+](C)CC1(NC(=O)c2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000281062329 195088409 /nfs/dbraw/zinc/08/84/09/195088409.db2.gz LMVLMCBCTCZAOU-UHFFFAOYSA-N 1 0 295.314 1.948 20 5 CDBDRO C[NH+](C)CC1(NC(=O)Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000281091578 195100052 /nfs/dbraw/zinc/10/00/52/195100052.db2.gz PACRJYONDYBPMM-UHFFFAOYSA-N 1 0 291.351 1.738 20 5 CDBDRO C[C@H](Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)[NH+](C)C ZINC000487901969 252914429 /nfs/dbraw/zinc/91/44/29/252914429.db2.gz WZVSXNWMDKKAOX-SNVBAGLBSA-N 1 0 275.308 1.860 20 5 CDBDRO CCOc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000492766721 253290507 /nfs/dbraw/zinc/29/05/07/253290507.db2.gz GUGDMMWEYCVRJJ-CMPLNLGQSA-N 1 0 280.324 1.949 20 5 CDBDRO CCOc1cc(C[N@@H+]2C[C@H](O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000492766724 253290642 /nfs/dbraw/zinc/29/06/42/253290642.db2.gz GUGDMMWEYCVRJJ-ZYHUDNBSSA-N 1 0 280.324 1.949 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC[C@@H]2O)cc1 ZINC000037691591 285115712 /nfs/dbraw/zinc/11/57/12/285115712.db2.gz MDSTXVZXGKBJLO-STQMWFEESA-N 1 0 250.298 1.988 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000493136500 253380090 /nfs/dbraw/zinc/38/00/90/253380090.db2.gz DIMBTRCFADDPIZ-CMNUZLSUSA-N 1 0 293.298 1.553 20 5 CDBDRO COCCOCC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000289132431 197242965 /nfs/dbraw/zinc/24/29/65/197242965.db2.gz XYAQGAJIBWPWEJ-UHFFFAOYSA-N 1 0 282.340 1.732 20 5 CDBDRO CC[N@@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000288268524 197040086 /nfs/dbraw/zinc/04/00/86/197040086.db2.gz FURAXJWNDLJSSK-GFCCVEGCSA-N 1 0 291.351 1.690 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+]1C ZINC000288145554 197013154 /nfs/dbraw/zinc/01/31/54/197013154.db2.gz NRLZVPXICYLJRA-SNVBAGLBSA-N 1 0 267.333 1.626 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000131880516 297398073 /nfs/dbraw/zinc/39/80/73/297398073.db2.gz HIJCXCAUMZPSFT-NXEZZACHSA-N 1 0 263.297 1.404 20 5 CDBDRO C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000394569470 390187191 /nfs/dbraw/zinc/18/71/91/390187191.db2.gz QZSLDGPWBZNOTA-NKWVEPMBSA-N 1 0 271.704 1.714 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000262551905 390456684 /nfs/dbraw/zinc/45/66/84/390456684.db2.gz YQGGYTZSRWZQOI-ZETCQYMHSA-N 1 0 271.704 1.254 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000262550200 390456869 /nfs/dbraw/zinc/45/68/69/390456869.db2.gz XTOKGYGZVBTUOD-QMMMGPOBSA-N 1 0 278.312 1.246 20 5 CDBDRO Cc1cccc(C(=O)N[C@H](C)C[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000320679470 390482334 /nfs/dbraw/zinc/48/23/34/390482334.db2.gz KYWQYTYXADGVDV-VHSXEESVSA-N 1 0 265.313 1.759 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC1CC[NH+](C2CCC2)CC1 ZINC000450880119 390570804 /nfs/dbraw/zinc/57/08/04/390570804.db2.gz WJEZUWFGPPLJJP-UHFFFAOYSA-N 1 0 279.344 1.757 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC1([NH3+])CCC1 ZINC000420231894 390577756 /nfs/dbraw/zinc/57/77/56/390577756.db2.gz SRUSPUGCPLVXBK-UHFFFAOYSA-N 1 0 293.323 1.983 20 5 CDBDRO Cc1cnc(N2CC[C@@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000164013848 390941548 /nfs/dbraw/zinc/94/15/48/390941548.db2.gz XJRJPOXMAKGDNM-GHMZBOCLSA-N 1 0 264.329 1.719 20 5 CDBDRO C[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)C[C@@H]1C[NH3+] ZINC000163969608 390941603 /nfs/dbraw/zinc/94/16/03/390941603.db2.gz YPOXUSLPCVCBHR-ZJUUUORDSA-N 1 0 250.302 1.411 20 5 CDBDRO CCO[C@@H]1COC[C@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000451941298 390951855 /nfs/dbraw/zinc/95/18/55/390951855.db2.gz YMEXQOJJVQDZNZ-DGCLKSJQSA-N 1 0 284.287 1.627 20 5 CDBDRO Cc1cnc(N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000272255902 390969411 /nfs/dbraw/zinc/96/94/11/390969411.db2.gz ZEWGPTDUEZJBEF-DGCLKSJQSA-N 1 0 276.340 1.829 20 5 CDBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000458191274 391114585 /nfs/dbraw/zinc/11/45/85/391114585.db2.gz OBQQBFOOEIKQAH-SNVBAGLBSA-N 1 0 281.312 1.650 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415633314 391470352 /nfs/dbraw/zinc/47/03/52/391470352.db2.gz QJSQVBWCAHTVPX-MRVPVSSYSA-N 1 0 284.291 1.711 20 5 CDBDRO CN1C[C@@H](C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])OC1=O ZINC000496743293 391926371 /nfs/dbraw/zinc/92/63/71/391926371.db2.gz FBNJWERCPBFESC-SNVBAGLBSA-N 1 0 293.323 1.870 20 5 CDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1([NH3+])CC1 ZINC000237255474 131018667 /nfs/dbraw/zinc/01/86/67/131018667.db2.gz QPXAMENXLIPPBH-UHFFFAOYSA-N 1 0 283.715 1.698 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000261643492 131158787 /nfs/dbraw/zinc/15/87/87/131158787.db2.gz DMCLXGNAJOQXQJ-JTQLQIEISA-N 1 0 280.328 1.121 20 5 CDBDRO Cc1sc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000262761459 131259582 /nfs/dbraw/zinc/25/95/82/131259582.db2.gz AGPONLFEQQVWOD-IONNQARKSA-N 1 0 283.353 1.835 20 5 CDBDRO C[C@@H]1[NH2+]CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000262759738 131259659 /nfs/dbraw/zinc/25/96/59/131259659.db2.gz IHIHULSKXXWFLS-RYUDHWBXSA-N 1 0 291.351 1.736 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000262844540 131266641 /nfs/dbraw/zinc/26/66/41/131266641.db2.gz RPLTYXHVGMPCIS-ZWNOBZJWSA-N 1 0 277.324 1.631 20 5 CDBDRO C[NH2+]C[C@@H](C)CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000420215349 392905414 /nfs/dbraw/zinc/90/54/14/392905414.db2.gz VZLZGEBRZVGMMM-SECBINFHSA-N 1 0 264.329 1.830 20 5 CDBDRO C[C@H](NC(=O)N(C)C1C[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000418227211 392879338 /nfs/dbraw/zinc/87/93/38/392879338.db2.gz BXRVDODLZFHKFW-VIFPVBQESA-N 1 0 278.312 1.269 20 5 CDBDRO COC[C@](C)([NH3+])CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000268451723 132011262 /nfs/dbraw/zinc/01/12/62/132011262.db2.gz FVVCTULLMAINLT-LLVKDONJSA-N 1 0 254.290 1.074 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000421701432 392942532 /nfs/dbraw/zinc/94/25/32/392942532.db2.gz HOMRAKPQOPPGCB-SNVBAGLBSA-N 1 0 283.353 1.823 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1=CC[NH2+]CC1 ZINC000423551850 392964667 /nfs/dbraw/zinc/96/46/67/392964667.db2.gz UKUMVUTWOXXDOM-UHFFFAOYSA-N 1 0 289.335 1.861 20 5 CDBDRO COc1ccc(CN[C@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000430560484 393100385 /nfs/dbraw/zinc/10/03/85/393100385.db2.gz WNENTQYESQDSOB-CQSZACIVSA-N 1 0 279.340 1.820 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000430587337 393100394 /nfs/dbraw/zinc/10/03/94/393100394.db2.gz VPYOQBXEJGGTLK-LBPRGKRZSA-N 1 0 265.313 1.397 20 5 CDBDRO C[NH2+][C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430643225 393102493 /nfs/dbraw/zinc/10/24/93/393102493.db2.gz QSBOVIBNFAKMJJ-VIFPVBQESA-N 1 0 253.277 1.528 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000282062260 393170166 /nfs/dbraw/zinc/17/01/66/393170166.db2.gz BPHPCXUHTVOAAM-WCQYABFASA-N 1 0 295.339 1.256 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000449592117 393135798 /nfs/dbraw/zinc/13/57/98/393135798.db2.gz NMFMFXPTGUFAEE-ZJUUUORDSA-N 1 0 280.328 1.249 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493647973 393215906 /nfs/dbraw/zinc/21/59/06/393215906.db2.gz HCKUBQZSJQLITC-TZGMSPROSA-N 1 0 293.298 1.567 20 5 CDBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@H]1C ZINC000487953358 393354568 /nfs/dbraw/zinc/35/45/68/393354568.db2.gz KGURUPFPXYDFCJ-OCCSQVGLSA-N 1 0 296.371 1.928 20 5 CDBDRO CO[C@@H]1C[NH+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1OC ZINC000487978280 393377638 /nfs/dbraw/zinc/37/76/38/393377638.db2.gz XIVUPTBRALFLFA-ZIAGYGMSSA-N 1 0 296.323 1.319 20 5 CDBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000275336568 135105033 /nfs/dbraw/zinc/10/50/33/135105033.db2.gz GUZLISAGCICIGK-QWRGUYRKSA-N 1 0 297.330 1.625 20 5 CDBDRO CCCc1n[nH]c(C(=O)NC2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC000131862438 139844494 /nfs/dbraw/zinc/84/44/94/139844494.db2.gz DPOURPFSOBDZEI-UHFFFAOYSA-N 1 0 295.343 1.270 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000131868703 139844629 /nfs/dbraw/zinc/84/46/29/139844629.db2.gz ABELFTNHHOOCAK-ZYHUDNBSSA-N 1 0 277.324 1.333 20 5 CDBDRO CC(C)(C)NC(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000134507392 139879837 /nfs/dbraw/zinc/87/98/37/139879837.db2.gz RTKLSUJJPFOCBV-UHFFFAOYSA-N 1 0 279.340 1.989 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]CC1 ZINC000231488702 140216273 /nfs/dbraw/zinc/21/62/73/140216273.db2.gz GHICXRFQFGNAMN-GFCCVEGCSA-N 1 0 277.324 1.809 20 5 CDBDRO Cc1c(CNC(=O)[C@@H](C)[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000231855910 140219698 /nfs/dbraw/zinc/21/96/98/140219698.db2.gz HHUKOJCIINWZPS-WPRPVWTQSA-N 1 0 265.313 1.503 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]CC1 ZINC000232237241 140221993 /nfs/dbraw/zinc/22/19/93/140221993.db2.gz MXAOZMYDXZOANH-GFCCVEGCSA-N 1 0 277.324 1.396 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000237473827 140254025 /nfs/dbraw/zinc/25/40/25/140254025.db2.gz XILPLYGVSAZDQG-BDAKNGLRSA-N 1 0 278.312 1.121 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCC[NH2+]C1 ZINC000261576845 140353953 /nfs/dbraw/zinc/35/39/53/140353953.db2.gz CHSXNNQUHPGUOE-SNVBAGLBSA-N 1 0 267.333 1.531 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)cc([N+](=O)[O-])c1 ZINC000261582608 140356034 /nfs/dbraw/zinc/35/60/34/140356034.db2.gz GRVZMGGSBFZKGL-SKDRFNHKSA-N 1 0 263.297 1.465 20 5 CDBDRO CCC[NH2+]CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000261631924 140366869 /nfs/dbraw/zinc/36/68/69/140366869.db2.gz JONRTSWFEOASOE-UHFFFAOYSA-N 1 0 293.367 1.988 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC2(C1)CC[NH2+]CC2 ZINC000261741164 140383207 /nfs/dbraw/zinc/38/32/07/140383207.db2.gz PDGXXKTUXXBGPN-UHFFFAOYSA-N 1 0 279.296 1.404 20 5 CDBDRO COc1cc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000261760373 140385971 /nfs/dbraw/zinc/38/59/71/140385971.db2.gz UWKSFSMZSXTLLI-KOLCDFICSA-N 1 0 295.314 1.931 20 5 CDBDRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304309720 140525465 /nfs/dbraw/zinc/52/54/65/140525465.db2.gz LGINNPRIFUQOIZ-WZRBSPASSA-N 1 0 282.344 1.415 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)[C@H](C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000262018093 149002165 /nfs/dbraw/zinc/00/21/65/149002165.db2.gz AAHQANWOVRZCKM-MNOVXSKESA-N 1 0 291.351 1.936 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000262536175 149073420 /nfs/dbraw/zinc/07/34/20/149073420.db2.gz AYAQDDUBFGRHLL-UHFFFAOYSA-N 1 0 294.355 1.640 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000262661594 149091703 /nfs/dbraw/zinc/09/17/03/149091703.db2.gz ZINWWUOYAZBGGV-UHFFFAOYSA-N 1 0 298.318 1.563 20 5 CDBDRO [NH3+]C1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCC1 ZINC000342609928 151869965 /nfs/dbraw/zinc/86/99/65/151869965.db2.gz UIMDWKWLWQORHS-UHFFFAOYSA-N 1 0 289.291 1.952 20 5 CDBDRO C[C@@]1(CCCO)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000345945598 153004674 /nfs/dbraw/zinc/00/46/74/153004674.db2.gz YMCJLAUALBVLQG-ZDUSSCGKSA-N 1 0 282.344 1.418 20 5 CDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH3+])C1 ZINC000346094125 153049717 /nfs/dbraw/zinc/04/97/17/153049717.db2.gz ZGRYEYGCYNQYII-MNOVXSKESA-N 1 0 292.339 1.345 20 5 CDBDRO COc1cccc(C(=O)N[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000346136095 153066658 /nfs/dbraw/zinc/06/66/58/153066658.db2.gz DLKVGZJHDJYCSM-VIFPVBQESA-N 1 0 281.312 1.283 20 5 CDBDRO C[NH2+]CCN(C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000346693360 153276955 /nfs/dbraw/zinc/27/69/55/153276955.db2.gz MOAJYCYZQQUPHE-UHFFFAOYSA-N 1 0 289.282 1.847 20 5 CDBDRO CCC[N@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000350005221 154304242 /nfs/dbraw/zinc/30/42/42/154304242.db2.gz QABDQZGODVUIFW-UHFFFAOYSA-N 1 0 268.317 1.385 20 5 CDBDRO C[C@H](O)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000351514016 154542956 /nfs/dbraw/zinc/54/29/56/154542956.db2.gz ARNBLKLPTWFRTH-SRVKXCTJSA-N 1 0 282.344 1.636 20 5 CDBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@@H](C)O ZINC000352195966 155015124 /nfs/dbraw/zinc/01/51/24/155015124.db2.gz VPCHQXAVSXVCKZ-SNVBAGLBSA-N 1 0 268.313 1.806 20 5 CDBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O ZINC000352223628 155037941 /nfs/dbraw/zinc/03/79/41/155037941.db2.gz XGSDGCASRSZZRG-LLVKDONJSA-N 1 0 268.313 1.676 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000375251572 160357435 /nfs/dbraw/zinc/35/74/35/160357435.db2.gz XGBJZBFMFIINMK-YPMHNXCESA-N 1 0 261.281 1.533 20 5 CDBDRO O=C1C[C@]2(CN1)CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000353750718 156060622 /nfs/dbraw/zinc/06/06/22/156060622.db2.gz YOUTVMGSAKIYIH-HNNXBMFYSA-N 1 0 289.335 1.697 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC000261603569 292420826 /nfs/dbraw/zinc/42/08/26/292420826.db2.gz CJHLVBLAMSYNJH-VXGBXAGGSA-N 1 0 289.335 1.585 20 5 CDBDRO C[C@H]([NH2+]CCCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285079080 196192141 /nfs/dbraw/zinc/19/21/41/196192141.db2.gz JMPPWENLIILJHN-VIFPVBQESA-N 1 0 253.302 1.600 20 5 CDBDRO CC(C)NC(=O)[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040676114 174373779 /nfs/dbraw/zinc/37/37/79/174373779.db2.gz MRSVCTZELGFVHJ-LLVKDONJSA-N 1 0 279.340 1.640 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000044530660 175195170 /nfs/dbraw/zinc/19/51/70/175195170.db2.gz QVVZAGBNJGRPQP-NSHDSACASA-N 1 0 292.339 1.204 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000044538559 175200357 /nfs/dbraw/zinc/20/03/57/175200357.db2.gz MPEOVDHPSKQWIQ-SNVBAGLBSA-N 1 0 295.314 1.806 20 5 CDBDRO COCCOCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000044694422 175234804 /nfs/dbraw/zinc/23/48/04/175234804.db2.gz MLZCOBUDCYNSNZ-UHFFFAOYSA-N 1 0 260.315 1.409 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000044725686 175238176 /nfs/dbraw/zinc/23/81/76/175238176.db2.gz ZSTOYYYXXQMHBT-SNVBAGLBSA-N 1 0 293.298 1.700 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(C)(C)O ZINC000078727949 177377417 /nfs/dbraw/zinc/37/74/17/177377417.db2.gz UQTZFRMSOJSFOF-UHFFFAOYSA-N 1 0 268.313 1.806 20 5 CDBDRO [NH3+]CC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(F)F ZINC000394819719 270339235 /nfs/dbraw/zinc/33/92/35/270339235.db2.gz SVMJWZXMEZDBET-VIFPVBQESA-N 1 0 291.229 1.446 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000397221947 270347282 /nfs/dbraw/zinc/34/72/82/270347282.db2.gz KMZCCXVNTZLSEX-VMPITWQZSA-N 1 0 277.324 1.852 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420609245 270379640 /nfs/dbraw/zinc/37/96/40/270379640.db2.gz JUYSKVURZHMULY-SNVBAGLBSA-N 1 0 292.339 1.082 20 5 CDBDRO COC[C@]1(CNc2ccc(F)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261712844 274053116 /nfs/dbraw/zinc/05/31/16/274053116.db2.gz JPVATSLNELFVKL-CYBMUJFWSA-N 1 0 283.303 1.914 20 5 CDBDRO C[C@@H](CC(N)=O)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447582109 274207908 /nfs/dbraw/zinc/20/79/08/274207908.db2.gz XZECIVWUHIUWNP-TVQRCGJNSA-N 1 0 277.324 1.826 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000261745714 274308712 /nfs/dbraw/zinc/30/87/12/274308712.db2.gz MLAWVAVEFOFYGQ-VDDIYKPWSA-N 1 0 280.328 1.050 20 5 CDBDRO Cc1nc(N2C[C@@H](C)[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000250954287 274842864 /nfs/dbraw/zinc/84/28/64/274842864.db2.gz QQOVLSYCCKAFNN-RKDXNWHRSA-N 1 0 250.302 1.485 20 5 CDBDRO O=[N+]([O-])c1c(N[C@@H]2CC[N@@H+](C3CC3)C2)nc2sccn21 ZINC000044417286 275032723 /nfs/dbraw/zinc/03/27/23/275032723.db2.gz NFOAQBIWGYIEDS-MRVPVSSYSA-N 1 0 293.352 1.953 20 5 CDBDRO CC(C)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)[NH+]1CCCC1 ZINC000263969022 275671105 /nfs/dbraw/zinc/67/11/05/275671105.db2.gz UHUPOAMAMISMMB-SNVBAGLBSA-N 1 0 294.359 1.499 20 5 CDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000330669106 276011914 /nfs/dbraw/zinc/01/19/14/276011914.db2.gz KQYCJEBPEZUXJB-JTQLQIEISA-N 1 0 295.343 1.231 20 5 CDBDRO CCOc1cccc(N2CC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000135050586 276381498 /nfs/dbraw/zinc/38/14/98/276381498.db2.gz NXWUDSCCBYPDIU-SECBINFHSA-N 1 0 251.286 1.531 20 5 CDBDRO CN1C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000278852115 277194841 /nfs/dbraw/zinc/19/48/41/277194841.db2.gz VRIUXRJRQXBHKC-SMDDNHRTSA-N 1 0 289.335 1.793 20 5 CDBDRO CS[C@@H]1CN(c2nccc(C)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000271117084 277524698 /nfs/dbraw/zinc/52/46/98/277524698.db2.gz RBAOQKSDXQFGSO-GHMZBOCLSA-N 1 0 296.396 1.780 20 5 CDBDRO CC(C)c1ccc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000423663091 278032324 /nfs/dbraw/zinc/03/23/24/278032324.db2.gz FSRJWUBIUKMBOY-IMRBUKKESA-N 1 0 289.335 1.666 20 5 CDBDRO C[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)[NH+](C)C ZINC000278182419 278287537 /nfs/dbraw/zinc/28/75/37/278287537.db2.gz DDIZSUHUFMNYEC-VIFPVBQESA-N 1 0 264.329 1.925 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000211379181 280085245 /nfs/dbraw/zinc/08/52/45/280085245.db2.gz VFTGXBZEZCBRBH-MEJMFZKBSA-N 1 0 289.335 1.818 20 5 CDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[NH2+]1 ZINC000211390132 280085273 /nfs/dbraw/zinc/08/52/73/280085273.db2.gz QLZFOTQCAMRCSX-JECSTDCCSA-N 1 0 275.308 1.476 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000216996924 280087965 /nfs/dbraw/zinc/08/79/65/280087965.db2.gz MAXLYXXSEWMJFJ-UJZCVKTISA-N 1 0 277.324 1.708 20 5 CDBDRO C[C@H]1[C@@H](Nc2c([N+](=O)[O-])ncn2C)CCC[N@@H+]1C ZINC000343451222 280107199 /nfs/dbraw/zinc/10/71/99/280107199.db2.gz FTZQHSRFCMGIGU-IUCAKERBSA-N 1 0 253.306 1.223 20 5 CDBDRO O=C(C[NH2+]C1CC1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237877427 280191345 /nfs/dbraw/zinc/19/13/45/280191345.db2.gz OMEKMUHLUUFJJK-UHFFFAOYSA-N 1 0 275.268 1.162 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255774539 289386533 /nfs/dbraw/zinc/38/65/33/289386533.db2.gz PTIRTDZLCWSIDX-HJWRWDBZSA-N 1 0 277.324 1.628 20 5 CDBDRO Nc1c(C(=O)NCC2CC[NH2+]CC2)cc(F)cc1[N+](=O)[O-] ZINC000564726692 293401243 /nfs/dbraw/zinc/40/12/43/293401243.db2.gz TVJKPQXYJKBHJF-UHFFFAOYSA-N 1 0 296.302 1.046 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000567915737 293906947 /nfs/dbraw/zinc/90/69/47/293906947.db2.gz KPMORLDZCOOMQB-RKDXNWHRSA-N 1 0 278.312 1.047 20 5 CDBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000568512257 294050138 /nfs/dbraw/zinc/05/01/38/294050138.db2.gz REDGVGKOAIIEBT-SKDRFNHKSA-N 1 0 275.308 1.482 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000570910820 294330589 /nfs/dbraw/zinc/33/05/89/294330589.db2.gz IDSSGIBKHOVLLG-PWSUYJOCSA-N 1 0 292.339 1.521 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(OCC[C@H]2CC[NH2+]C2)n1 ZINC000571073686 294364658 /nfs/dbraw/zinc/36/46/58/294364658.db2.gz DMUWCNWKARCSQQ-LLVKDONJSA-N 1 0 265.313 1.985 20 5 CDBDRO C[C@@H]1CC2(CN1C(=O)c1ccc([N+](=O)[O-])o1)CC[NH2+]CC2 ZINC000572713212 294677628 /nfs/dbraw/zinc/67/76/28/294677628.db2.gz RWOPXNLIIPPYED-SNVBAGLBSA-N 1 0 293.323 1.792 20 5 CDBDRO C[C@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000563562359 316331823 /nfs/dbraw/zinc/33/18/23/316331823.db2.gz VVBHCAQSMCLFQX-GWCFXTLKSA-N 1 0 292.339 1.474 20 5 CDBDRO CC1(C)C[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566120642 316483126 /nfs/dbraw/zinc/48/31/26/316483126.db2.gz NTCFHZYIOVWWHS-YPMHNXCESA-N 1 0 280.324 1.723 20 5 CDBDRO [NH3+]CCCCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000577366986 317314244 /nfs/dbraw/zinc/31/42/44/317314244.db2.gz LJZVCYVNNKYIEI-UHFFFAOYSA-N 1 0 296.327 1.012 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000382435940 323640245 /nfs/dbraw/zinc/64/02/45/323640245.db2.gz VQVVFMLYCCZZOD-JOVKLMRISA-N 1 0 289.335 1.852 20 5 CDBDRO CC[C@@H](CCO)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578987498 324074039 /nfs/dbraw/zinc/07/40/39/324074039.db2.gz CIDKZVJRBJHLJQ-WCQYABFASA-N 1 0 298.339 1.085 20 5 CDBDRO CCC[NH2+]CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000236761517 519914672 /nfs/dbraw/zinc/91/46/72/519914672.db2.gz FPBVMFBDLPHXLJ-UHFFFAOYSA-N 1 0 280.328 1.123 20 5 CDBDRO CNC(=O)c1ccc(N[C@H](C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000068320701 521851067 /nfs/dbraw/zinc/85/10/67/521851067.db2.gz NRVGIJGXGZMFBN-SNVBAGLBSA-N 1 0 294.355 1.707 20 5 CDBDRO C[NH2+]CCC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000070190123 521984766 /nfs/dbraw/zinc/98/47/66/521984766.db2.gz BYLVGEVYVXHUEQ-UHFFFAOYSA-N 1 0 264.329 1.816 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000053202622 522495418 /nfs/dbraw/zinc/49/54/18/522495418.db2.gz ZEHVGMNLLIIZTR-NSHDSACASA-N 1 0 263.297 1.419 20 5 CDBDRO COc1cc(N2CCC[C@@H]2C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000227860959 522634021 /nfs/dbraw/zinc/63/40/21/522634021.db2.gz RFUDLVFEEJQZBV-MRVPVSSYSA-N 1 0 269.276 1.670 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000111303942 522640734 /nfs/dbraw/zinc/64/07/34/522640734.db2.gz QDIOLMSVWLJOGR-MRVPVSSYSA-N 1 0 252.274 1.454 20 5 CDBDRO C[C@@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163536944 524453192 /nfs/dbraw/zinc/45/31/92/524453192.db2.gz XNNHSMCQEZAQLF-YPMHNXCESA-N 1 0 291.351 1.581 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000070172616 525010232 /nfs/dbraw/zinc/01/02/32/525010232.db2.gz PMMNVXQHCBIRHR-DGCLKSJQSA-N 1 0 291.351 1.723 20 5 CDBDRO C[C@@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000164123023 525257158 /nfs/dbraw/zinc/25/71/58/525257158.db2.gz XWVFJAPESWOZDV-VHSXEESVSA-N 1 0 277.324 1.628 20 5 CDBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000183693461 525307420 /nfs/dbraw/zinc/30/74/20/525307420.db2.gz ANIUWMHIOIQIBV-GWCFXTLKSA-N 1 0 293.323 1.690 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163543781 526072383 /nfs/dbraw/zinc/07/23/83/526072383.db2.gz ZVOQCMNKKHRHBW-CMPLNLGQSA-N 1 0 291.351 1.960 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000340609663 527053446 /nfs/dbraw/zinc/05/34/46/527053446.db2.gz QKHPVCZXMSGPSH-VHSXEESVSA-N 1 0 278.312 1.280 20 5 CDBDRO O=C(C[C@H]1CCC[NH2+]1)NCc1ccccc1[N+](=O)[O-] ZINC000050015976 527166788 /nfs/dbraw/zinc/16/67/88/527166788.db2.gz WOIRPOLATJURBL-LLVKDONJSA-N 1 0 263.297 1.353 20 5 CDBDRO CC(C)([NH3+])CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417930636 527248097 /nfs/dbraw/zinc/24/80/97/527248097.db2.gz BDGGZBSTRKDCBO-UHFFFAOYSA-N 1 0 280.328 1.174 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](n3cncn3)C2)cc1 ZINC000368871983 527347852 /nfs/dbraw/zinc/34/78/52/527347852.db2.gz FERNUCASAGYQOX-AWEZNQCLSA-N 1 0 287.323 1.676 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1COCCO1 ZINC000338715469 527397399 /nfs/dbraw/zinc/39/73/99/527397399.db2.gz GOGNJMMCDBRIII-LQPUYASZSA-N 1 0 278.308 1.613 20 5 CDBDRO COCCC[N@H+](CCO)Cc1ccccc1[N+](=O)[O-] ZINC000189901345 536522824 /nfs/dbraw/zinc/52/28/24/536522824.db2.gz AQNYHBGSSKIFAR-UHFFFAOYSA-N 1 0 268.313 1.426 20 5 CDBDRO CC[NH+](CC)CCNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000190163435 535543080 /nfs/dbraw/zinc/54/30/80/535543080.db2.gz NPTFHHKZGGHLOR-UHFFFAOYSA-N 1 0 296.327 1.530 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](C[NH3+])C[C@H]1C ZINC000250454891 536144415 /nfs/dbraw/zinc/14/44/15/536144415.db2.gz PEZDNCRUGFGDMM-PSASIEDQSA-N 1 0 267.333 1.293 20 5 CDBDRO CCc1ccc(C(=O)NC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000269302227 536165369 /nfs/dbraw/zinc/16/53/69/536165369.db2.gz YCDKOTBFTANYMX-GFCCVEGCSA-N 1 0 279.340 1.870 20 5 CDBDRO CC[C@H](CO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000727060812 574540090 /nfs/dbraw/zinc/54/00/90/574540090.db2.gz VVVPMINUQNNERJ-MRVPVSSYSA-N 1 0 264.285 1.332 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCNc2ncccn2)c1 ZINC000751507857 574647859 /nfs/dbraw/zinc/64/78/59/574647859.db2.gz YDMLNSVNNUEKKR-UHFFFAOYSA-N 1 0 287.323 1.977 20 5 CDBDRO C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C ZINC000769772303 575382288 /nfs/dbraw/zinc/38/22/88/575382288.db2.gz VQOCEGYNFIYVSN-JTQLQIEISA-N 1 0 289.339 1.607 20 5 CDBDRO O=[N+]([O-])c1ccnn1CN1CCC([NH+]2CCCCC2)CC1 ZINC000749662270 576956827 /nfs/dbraw/zinc/95/68/27/576956827.db2.gz QMCOJXKLZJXPPD-UHFFFAOYSA-N 1 0 293.371 1.699 20 5 CDBDRO Cn1cc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000749682189 576957622 /nfs/dbraw/zinc/95/76/22/576957622.db2.gz FHJGXQVGCNQZOG-ZDUSSCGKSA-N 1 0 276.296 1.152 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H](CCO)C2)c1 ZINC000750050081 576973625 /nfs/dbraw/zinc/97/36/25/576973625.db2.gz ALANKIOREVJXIE-DOMZBBRYSA-N 1 0 294.351 1.723 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CCc3c[nH]nc3C2)c1 ZINC000750720051 577001542 /nfs/dbraw/zinc/00/15/42/577001542.db2.gz LNKKXYYRXRSFIS-AWEZNQCLSA-N 1 0 288.307 1.410 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000891999379 617397580 /nfs/dbraw/zinc/39/75/80/617397580.db2.gz BPGQPYXSGAWYEB-VIFPVBQESA-N 1 0 278.312 1.647 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000892175644 617528309 /nfs/dbraw/zinc/52/83/09/617528309.db2.gz OLJPXDZEXUIERZ-NSHDSACASA-N 1 0 294.355 1.965 20 5 CDBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1c([N+](=O)[O-])cnn1C ZINC000891971953 617911773 /nfs/dbraw/zinc/91/17/73/617911773.db2.gz WMBSUZRRQZCXBI-WDEREUQCSA-N 1 0 281.360 1.861 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2C2OCCO2)cc1 ZINC000933903090 617735171 /nfs/dbraw/zinc/73/51/71/617735171.db2.gz GTKKJAYXWWQFEQ-AWEZNQCLSA-N 1 0 292.335 1.975 20 5 CDBDRO COCCOC[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000893070073 618121031 /nfs/dbraw/zinc/12/10/31/618121031.db2.gz VZLOKCIBOCKPRB-GFCCVEGCSA-N 1 0 282.340 1.778 20 5 CDBDRO CCC[C@@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)CC[NH2+]1 ZINC000895057254 619241935 /nfs/dbraw/zinc/24/19/35/619241935.db2.gz FOEUSFDXUMCETO-SNVBAGLBSA-N 1 0 267.333 1.215 20 5 CDBDRO CCC[C@@H]1CN(c2cccnc2[N+](=O)[O-])CC[NH2+]1 ZINC000895059103 619244215 /nfs/dbraw/zinc/24/42/15/619244215.db2.gz RFKXMHCIYVXOQV-SNVBAGLBSA-N 1 0 250.302 1.568 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000895193008 619444798 /nfs/dbraw/zinc/44/47/98/619444798.db2.gz PRGFJNFAYJPKHV-NEPJUHHUSA-N 1 0 293.371 1.793 20 5 CDBDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000897890046 621194539 /nfs/dbraw/zinc/19/45/39/621194539.db2.gz FYVBSZIUROSMGR-UMVBOHGHSA-N 1 0 292.335 1.976 20 5 CDBDRO C[NH+](C)CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000929163151 621535946 /nfs/dbraw/zinc/53/59/46/621535946.db2.gz YLCGTXOWSKVRSR-OLZOCXBDSA-N 1 0 277.324 1.376 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000899859634 622486237 /nfs/dbraw/zinc/48/62/37/622486237.db2.gz LOTXZXYTCUAEDT-GFCCVEGCSA-N 1 0 267.329 1.673 20 5 CDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000900486484 623135907 /nfs/dbraw/zinc/13/59/07/623135907.db2.gz COVKRJZPTDSAAS-LBPRGKRZSA-N 1 0 294.311 1.047 20 5 CDBDRO O=[N+]([O-])c1cccc(OCCN2CCC[C@@]23CC[NH2+]C3)c1 ZINC000903865897 626112838 /nfs/dbraw/zinc/11/28/38/626112838.db2.gz SMRQBNORKCWSBD-HNNXBMFYSA-N 1 0 291.351 1.802 20 5 CDBDRO O=[N+]([O-])CCN[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000905090944 626605650 /nfs/dbraw/zinc/60/56/50/626605650.db2.gz WGVBRFCIITVUTG-QWHCGFSZSA-N 1 0 250.298 1.773 20 5 CDBDRO COc1cccc(N2CC[C@@H]([NH2+]CC[N+](=O)[O-])C2)c1 ZINC000905099120 626619439 /nfs/dbraw/zinc/61/94/39/626619439.db2.gz YIRJYENDPVMCRW-LLVKDONJSA-N 1 0 265.313 1.140 20 5 CDBDRO COCCC[C@H](Cc1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000905244453 626700770 /nfs/dbraw/zinc/70/07/70/626700770.db2.gz YHADANVNQHBOCA-CQSZACIVSA-N 1 0 266.341 1.891 20 5 CDBDRO [NH3+][C@@H]1C[C@H](C(=O)NCc2cccc([N+](=O)[O-])c2)[C@H]2C[C@H]21 ZINC000912261770 629875173 /nfs/dbraw/zinc/87/51/73/629875173.db2.gz JVNKUYHMTAOWDH-QNWHQSFQSA-N 1 0 275.308 1.194 20 5 CDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1N[C@H]1CC[N@H+](C)C1 ZINC001167275110 1158554968 /nfs/dbraw/zinc/55/49/68/1158554968.db2.gz GFUFVTFLQXORFI-VIFPVBQESA-N 1 0 294.311 1.201 20 5 CDBDRO COCC[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170298999 1162328632 /nfs/dbraw/zinc/32/86/32/1162328632.db2.gz PICFXRMDVORYNF-SNVBAGLBSA-N 1 0 268.313 1.770 20 5 CDBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC001170335709 1162339049 /nfs/dbraw/zinc/33/90/49/1162339049.db2.gz QMDZUWJQSYVCOT-IAQYHMDHSA-N 1 0 294.351 1.991 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2C[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170309671 1162339724 /nfs/dbraw/zinc/33/97/24/1162339724.db2.gz RJXLOYSWWBDZSH-GMXVVIOVSA-N 1 0 294.351 1.895 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2C[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170309674 1162339861 /nfs/dbraw/zinc/33/98/61/1162339861.db2.gz RJXLOYSWWBDZSH-NQBHXWOUSA-N 1 0 294.351 1.895 20 5 CDBDRO [NH3+]CCc1cnn(-c2cc(Cl)cc([N+](=O)[O-])n2)c1 ZINC001158099578 1162715876 /nfs/dbraw/zinc/71/58/76/1162715876.db2.gz VCURZIFHAOTFHD-UHFFFAOYSA-N 1 0 267.676 1.330 20 5 CDBDRO C[C@@H]1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)C[C@@H](C)[NH2+]1 ZINC001158180772 1162764728 /nfs/dbraw/zinc/76/47/28/1162764728.db2.gz ZUZDDQBPWXXOIE-RKDXNWHRSA-N 1 0 275.312 1.658 20 5 CDBDRO COc1c(F)cc(N[C@H](C)[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC001170570201 1162954686 /nfs/dbraw/zinc/95/46/86/1162954686.db2.gz UMXUWYCWOWNUKF-PRHODGIISA-N 1 0 299.302 1.531 20 5 CDBDRO CCCCOC1C[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169030409 1161998155 /nfs/dbraw/zinc/99/81/55/1161998155.db2.gz ZQSKLFICBWGTIV-RYUDHWBXSA-N 1 0 256.346 1.933 20 5 CDBDRO CC[N@@H+]1CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])C(C)(C)C1 ZINC001158561761 1163206116 /nfs/dbraw/zinc/20/61/16/1163206116.db2.gz VEEKHGDPYXBUHH-UHFFFAOYSA-N 1 0 280.328 1.149 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCC2(O)CCC2)cc1 ZINC000819376319 1164199759 /nfs/dbraw/zinc/19/97/59/1164199759.db2.gz ZTSKDKRIIAIIOM-AWEZNQCLSA-N 1 0 294.351 1.913 20 5 CDBDRO NC[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001246506435 1164244819 /nfs/dbraw/zinc/24/48/19/1164244819.db2.gz HCEYNTKAZLBHMB-MRVWCRGKSA-N 1 0 263.341 1.721 20 5 CDBDRO CCOC(=O)c1ccc(NOCC[NH3+])c([N+](=O)[O-])c1 ZINC001164435686 1167307307 /nfs/dbraw/zinc/30/73/07/1167307307.db2.gz LQGRPBFIUJESNT-UHFFFAOYSA-N 1 0 269.257 1.074 20 5 CDBDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC001573960804 1170842318 /nfs/dbraw/zinc/84/23/18/1170842318.db2.gz LMDQXKRUOYDBFY-TVQRCGJNSA-N 1 0 294.311 1.004 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC001578497202 1171933503 /nfs/dbraw/zinc/93/35/03/1171933503.db2.gz NEDLNYUOAMFUBO-XYPYZODXSA-N 1 0 278.312 1.226 20 5 CDBDRO CNc1c(C(=O)N[C@H](C)CCCC[NH3+])cccc1[N+](=O)[O-] ZINC001578754267 1171994966 /nfs/dbraw/zinc/99/49/66/1171994966.db2.gz NQTUTUWPCMBBPA-SNVBAGLBSA-N 1 0 294.355 1.884 20 5 CDBDRO Cc1ccc(NC(=O)[C@]23CC[C@H]2C[NH2+]C3)c(N)c1[N+](=O)[O-] ZINC001579722719 1172246791 /nfs/dbraw/zinc/24/67/91/1172246791.db2.gz JZMMKKXHTSCXBH-XPTSAGLGSA-N 1 0 290.323 1.424 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[NH2+]2)c1C ZINC001579734843 1172250070 /nfs/dbraw/zinc/25/00/70/1172250070.db2.gz OZELXXDRXIBSIZ-JTQLQIEISA-N 1 0 263.297 1.303 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC001579985219 1172315220 /nfs/dbraw/zinc/31/52/20/1172315220.db2.gz SCEMNBFEWHNXMV-SNVBAGLBSA-N 1 0 289.295 1.357 20 5 CDBDRO NC(=O)c1cc(N[C@H]2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001580101045 1172347362 /nfs/dbraw/zinc/34/73/62/1172347362.db2.gz KRAIJHFBHQRFCJ-VIFPVBQESA-N 1 0 278.312 1.248 20 5 CDBDRO Nc1ccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001580449343 1172439737 /nfs/dbraw/zinc/43/97/37/1172439737.db2.gz IMEHTCNABJBDSL-DTWKUNHWSA-N 1 0 278.312 1.633 20 5 CDBDRO O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001580774433 1172537107 /nfs/dbraw/zinc/53/71/07/1172537107.db2.gz XUSNQSGQDJFEGO-NURSFMCSSA-N 1 0 298.302 1.689 20 5 CDBDRO Cc1cnc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000261603607 1181691482 /nfs/dbraw/zinc/69/14/82/1181691482.db2.gz QUTPWBZPHKJPMR-GHMZBOCLSA-N 1 0 262.313 1.486 20 5 CDBDRO Cc1cc(C(=O)NCCC(C)(C)[NH3+])ccc1[N+](=O)[O-] ZINC000405895753 1186579650 /nfs/dbraw/zinc/57/96/50/1186579650.db2.gz SXNHXLXUTCXWJL-UHFFFAOYSA-N 1 0 265.313 1.760 20 5 CDBDRO CC(C)[C@@](C)(O)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000313025759 1186706082 /nfs/dbraw/zinc/70/60/82/1186706082.db2.gz POCPHYXJRNAZNS-KBPBESRZSA-N 1 0 282.340 1.625 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001609374498 1164913831 /nfs/dbraw/zinc/91/38/31/1164913831.db2.gz CHGNKWZQWZDTEI-QMMMGPOBSA-N 1 0 291.315 1.137 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccccn2)cc1 ZINC000106626378 753844515 /nfs/dbraw/zinc/84/45/15/753844515.db2.gz TZFKVWZHQHCGKQ-AWEZNQCLSA-N 1 0 273.292 1.813 20 5 CDBDRO CCc1ccc(C(=O)NC[C@H]2CC[N@H+]2CC)cc1[N+](=O)[O-] ZINC000882487283 753894323 /nfs/dbraw/zinc/89/43/23/753894323.db2.gz CKWFQIIXRYSRBR-CYBMUJFWSA-N 1 0 291.351 1.981 20 5 CDBDRO O=[N+]([O-])CC[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000930505233 753939909 /nfs/dbraw/zinc/93/99/09/753939909.db2.gz JBMZXDLRLXRKSN-AWEZNQCLSA-N 1 0 282.315 1.329 20 5 CDBDRO CC1(C)[C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000886229389 753948777 /nfs/dbraw/zinc/94/87/77/753948777.db2.gz OYFFBSODDKHUPF-QJPTWQEYSA-N 1 0 277.324 1.893 20 5 CDBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)[C@H](C)O ZINC000929338080 754072318 /nfs/dbraw/zinc/07/23/18/754072318.db2.gz PJGBUHZMMNIKQK-SMDDNHRTSA-N 1 0 282.340 1.547 20 5 CDBDRO C[N@H+](CCCF)CCn1cc([N+](=O)[O-])ccc1=O ZINC000887141351 754080719 /nfs/dbraw/zinc/08/07/19/754080719.db2.gz PIJYUXWCJBVXKZ-UHFFFAOYSA-N 1 0 257.265 1.048 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(=O)NC(C)C ZINC000873008984 754101510 /nfs/dbraw/zinc/10/15/10/754101510.db2.gz DRKHGZYMEIVRTM-UHFFFAOYSA-N 1 0 279.340 1.826 20 5 CDBDRO Cc1n[nH]c(C)c1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809734363 754151135 /nfs/dbraw/zinc/15/11/35/754151135.db2.gz BSNBARRPGPZBDX-UHFFFAOYSA-N 1 0 289.339 1.900 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861564313 754212360 /nfs/dbraw/zinc/21/23/60/754212360.db2.gz KFHLIAMJEDMRPD-SECBINFHSA-N 1 0 296.327 1.092 20 5 CDBDRO CC(C)(O)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819242175 754223799 /nfs/dbraw/zinc/22/37/99/754223799.db2.gz BVASXHKLCFJIGS-GFCCVEGCSA-N 1 0 268.313 1.379 20 5 CDBDRO CCC[C@]1(CO)CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886208983 754225540 /nfs/dbraw/zinc/22/55/40/754225540.db2.gz BTHQORACSKALBD-AWEZNQCLSA-N 1 0 279.340 1.974 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1COCCO1 ZINC000873016432 754234148 /nfs/dbraw/zinc/23/41/48/754234148.db2.gz KJMNASXRUDGJIK-LBPRGKRZSA-N 1 0 280.324 1.717 20 5 CDBDRO C[NH+](C)CC[C@@H](N)c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000844920277 754295804 /nfs/dbraw/zinc/29/58/04/754295804.db2.gz QTUFDDUCXXEIDW-SSDOTTSWSA-N 1 0 281.272 1.189 20 5 CDBDRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000876544905 754396495 /nfs/dbraw/zinc/39/64/95/754396495.db2.gz AYVLBGDJNULELU-GMIKGCRTSA-N 1 0 275.308 1.945 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](CO)CC(F)F ZINC000717756052 754399896 /nfs/dbraw/zinc/39/98/96/754399896.db2.gz SIOLVUYRRUSWIX-SECBINFHSA-N 1 0 260.240 1.701 20 5 CDBDRO C[NH2+]C[C@@H](C)c1noc(-c2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000842577305 754481195 /nfs/dbraw/zinc/48/11/95/754481195.db2.gz NMULMQYAALLLFW-MRVPVSSYSA-N 1 0 292.295 1.976 20 5 CDBDRO C[NH+](C)CCCOC(=O)c1cccc([N+](=O)[O-])c1N ZINC000792024883 754510448 /nfs/dbraw/zinc/51/04/48/754510448.db2.gz QHADCDKGUKMMNV-UHFFFAOYSA-N 1 0 267.285 1.286 20 5 CDBDRO C[C@H](NC(=O)Cc1ncc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000816890613 754517243 /nfs/dbraw/zinc/51/72/43/754517243.db2.gz QPPUPQWGLASRQG-VIFPVBQESA-N 1 0 274.280 1.738 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2C[C@]2(CO)C1 ZINC000782614878 754542739 /nfs/dbraw/zinc/54/27/39/754542739.db2.gz GXSVDZQUAIBDCP-SWLSCSKDSA-N 1 0 292.335 1.808 20 5 CDBDRO CC(C)(CCC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)[N+](=O)[O-] ZINC000823180247 754642477 /nfs/dbraw/zinc/64/24/77/754642477.db2.gz LYVHBEJEHCXZHA-ZDUSSCGKSA-N 1 0 297.399 1.909 20 5 CDBDRO O=[N+]([O-])c1cnn(CCN2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000886872023 754649924 /nfs/dbraw/zinc/64/99/24/754649924.db2.gz HFLOILMUCYCVTL-CQSZACIVSA-N 1 0 293.371 1.257 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000037646945 754671998 /nfs/dbraw/zinc/67/19/98/754671998.db2.gz SDPVCNQMYKUZDW-VIFPVBQESA-N 1 0 297.742 1.930 20 5 CDBDRO CCC(=O)c1ccc(NCC[N@H+](C)CCO)c([N+](=O)[O-])c1 ZINC000884825119 754672931 /nfs/dbraw/zinc/67/29/31/754672931.db2.gz GKOVQUUAOKIEGO-UHFFFAOYSA-N 1 0 295.339 1.524 20 5 CDBDRO CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000858586233 754695698 /nfs/dbraw/zinc/69/56/98/754695698.db2.gz HEYIQHYWYMCASY-WDEREUQCSA-N 1 0 295.339 1.962 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)c1[N+](=O)[O-] ZINC000884355882 754775143 /nfs/dbraw/zinc/77/51/43/754775143.db2.gz TXCDNDWDMXGCAK-WDEREUQCSA-N 1 0 295.314 1.898 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000926093136 754793757 /nfs/dbraw/zinc/79/37/57/754793757.db2.gz LYAGKRRNAOYEMO-BXKDBHETSA-N 1 0 278.312 1.633 20 5 CDBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000886081323 754880437 /nfs/dbraw/zinc/88/04/37/754880437.db2.gz MGNVZUHGXYOQNP-LLVKDONJSA-N 1 0 267.329 1.829 20 5 CDBDRO [NH2+]=C(NCCc1ccccc1[N+](=O)[O-])N1CCSCC1 ZINC000849009935 754902621 /nfs/dbraw/zinc/90/26/21/754902621.db2.gz LZZJHUZIXZWGQL-UHFFFAOYSA-N 1 0 294.380 1.710 20 5 CDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000843485711 754918172 /nfs/dbraw/zinc/91/81/72/754918172.db2.gz DGLKLWVAVGIRMZ-JGVFFNPUSA-N 1 0 296.283 1.277 20 5 CDBDRO CC(C)C[N@@H+](CC(N)=O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776578631 754930872 /nfs/dbraw/zinc/93/08/72/754930872.db2.gz HQQLVCDAPIFVMH-CYBMUJFWSA-N 1 0 295.339 1.072 20 5 CDBDRO CC1CC(NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870897457 754933205 /nfs/dbraw/zinc/93/32/05/754933205.db2.gz JDFCZQYXTARMJF-IUVQJJGASA-N 1 0 277.324 1.683 20 5 CDBDRO C[N@@H+]1CCC[C@H]1CSc1ncc([N+](=O)[O-])c(N)n1 ZINC000917783290 754934960 /nfs/dbraw/zinc/93/49/60/754934960.db2.gz ASQGUNFSDYTJGB-ZETCQYMHSA-N 1 0 269.330 1.153 20 5 CDBDRO C[C@@H](O)C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000847094838 754937901 /nfs/dbraw/zinc/93/79/01/754937901.db2.gz PGJRVGKOISUIDY-YGRLFVJLSA-N 1 0 280.324 1.473 20 5 CDBDRO C[N@H+](CCCF)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000887139823 754953396 /nfs/dbraw/zinc/95/33/96/754953396.db2.gz FWMMIZOIIQJDEX-UHFFFAOYSA-N 1 0 269.276 1.485 20 5 CDBDRO C[C@H]1COC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000710893380 755029718 /nfs/dbraw/zinc/02/97/18/755029718.db2.gz PTATWYIHCYPRAE-UFBFGSQYSA-N 1 0 254.261 1.858 20 5 CDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839535927 755102007 /nfs/dbraw/zinc/10/20/07/755102007.db2.gz KQDZKIVDNHBNLZ-YVECIDJPSA-N 1 0 283.372 1.136 20 5 CDBDRO CC[C@@H](CSC)N(C)Cn1nccc1[N+](=O)[O-] ZINC000179783858 755335312 /nfs/dbraw/zinc/33/53/12/755335312.db2.gz FYFDBKZQBKCLNF-VIFPVBQESA-N 1 0 258.347 1.822 20 5 CDBDRO C[C@H](CCO)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844446032 755398625 /nfs/dbraw/zinc/39/86/25/755398625.db2.gz BKBPPJHDOQVROL-MFKMUULPSA-N 1 0 268.313 1.331 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000852923235 755520901 /nfs/dbraw/zinc/52/09/01/755520901.db2.gz AVIJYBZWYMOFQX-SSDOTTSWSA-N 1 0 296.283 1.149 20 5 CDBDRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873131242 755557783 /nfs/dbraw/zinc/55/77/83/755557783.db2.gz PWSTVIVVTULOGP-HIFRSBDPSA-N 1 0 296.367 1.823 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000882479283 755581531 /nfs/dbraw/zinc/58/15/31/755581531.db2.gz RQWQFLXGJHFSCJ-SNVBAGLBSA-N 1 0 263.297 1.419 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000817494447 755631100 /nfs/dbraw/zinc/63/11/00/755631100.db2.gz JPCYTOHQTNIKGV-LLVKDONJSA-N 1 0 271.361 1.375 20 5 CDBDRO C[NH2+]CCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000842473864 755673322 /nfs/dbraw/zinc/67/33/22/755673322.db2.gz MHOFPSJWZUGZRJ-UHFFFAOYSA-N 1 0 298.318 1.214 20 5 CDBDRO CC(C)[C@H]([NH3+])CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817957327 755880778 /nfs/dbraw/zinc/88/07/78/755880778.db2.gz AYRNLWZKLSHFRO-BXKDBHETSA-N 1 0 266.345 1.811 20 5 CDBDRO C[NH2+]CCc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000823069283 756035158 /nfs/dbraw/zinc/03/51/58/756035158.db2.gz LQCFVDMYDCJPIS-UHFFFAOYSA-N 1 0 254.271 1.468 20 5 CDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)OCCC[NH+]1CCCCC1 ZINC000800127742 756186105 /nfs/dbraw/zinc/18/61/05/756186105.db2.gz YTLWLQAMUXEVGT-UHFFFAOYSA-N 1 0 296.327 1.211 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](C)([NH3+])C1 ZINC000700960975 756190708 /nfs/dbraw/zinc/19/07/08/756190708.db2.gz KFAYLRNQWYTXSK-CYBMUJFWSA-N 1 0 279.296 1.167 20 5 CDBDRO C[NH+]1CCC2(CCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000889225884 756406040 /nfs/dbraw/zinc/40/60/40/756406040.db2.gz JCVPBTQGFMYAGP-UHFFFAOYSA-N 1 0 278.312 1.233 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2CC[NH2+]CC2)c1C ZINC000884012327 756454338 /nfs/dbraw/zinc/45/43/38/756454338.db2.gz HHCGHHNBQXPVET-UHFFFAOYSA-N 1 0 291.351 1.941 20 5 CDBDRO CC(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001019994238 756486102 /nfs/dbraw/zinc/48/61/02/756486102.db2.gz LHPOBHPKWPBUHH-JOCQHMNTSA-N 1 0 291.351 1.988 20 5 CDBDRO Cc1cc(-c2nc([C@H]3CCC[NH2+]3)no2)c(N)c([N+](=O)[O-])c1 ZINC000842640806 756536268 /nfs/dbraw/zinc/53/62/68/756536268.db2.gz LOBWGLROBVXHSE-SECBINFHSA-N 1 0 289.295 1.960 20 5 CDBDRO C[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1C ZINC000776598404 756551785 /nfs/dbraw/zinc/55/17/85/756551785.db2.gz MXVWSTMKXFCWFH-TYNCELHUSA-N 1 0 293.367 1.653 20 5 CDBDRO COc1cc(C(=O)N(C)C[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000311960270 756646847 /nfs/dbraw/zinc/64/68/47/756646847.db2.gz JDJXRCILIHYKOI-QMMMGPOBSA-N 1 0 267.285 1.023 20 5 CDBDRO CCCNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870853996 756688591 /nfs/dbraw/zinc/68/85/91/756688591.db2.gz MEZUJZMUVHDCLM-LBPRGKRZSA-N 1 0 251.286 1.295 20 5 CDBDRO CC[C@]1([NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])CCOC1 ZINC000893996669 756807802 /nfs/dbraw/zinc/80/78/02/756807802.db2.gz KLIFZCGSVNQSOW-AWEZNQCLSA-N 1 0 296.323 1.968 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000857008058 756820073 /nfs/dbraw/zinc/82/00/73/756820073.db2.gz BDMDVLUFWFWZQQ-YMTOWFKASA-N 1 0 290.323 1.130 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700608861 756846552 /nfs/dbraw/zinc/84/65/52/756846552.db2.gz ONHAMICQEJQFIQ-ZETCQYMHSA-N 1 0 271.704 1.715 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]([NH3+])C2CC2)c1 ZINC000237333562 756866456 /nfs/dbraw/zinc/86/64/56/756866456.db2.gz FDIHQLKVMKUQHU-LLVKDONJSA-N 1 0 295.364 1.784 20 5 CDBDRO CS[C@@H](C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819186689 756901200 /nfs/dbraw/zinc/90/12/00/756901200.db2.gz VKNPAZFDXUVEMZ-JOYOIKCWSA-N 1 0 270.354 1.969 20 5 CDBDRO C[NH2+]CCCCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000719702218 756925026 /nfs/dbraw/zinc/92/50/26/756925026.db2.gz HMOROQOQUCNRCA-UHFFFAOYSA-N 1 0 251.286 1.923 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCN(C)C1 ZINC000850432096 756933559 /nfs/dbraw/zinc/93/35/59/756933559.db2.gz QZTWQFOYRXSVGM-MNOVXSKESA-N 1 0 279.340 1.958 20 5 CDBDRO CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000923279572 756969402 /nfs/dbraw/zinc/96/94/02/756969402.db2.gz QEEMRQDZMZAVMK-AWEZNQCLSA-N 1 0 279.340 1.312 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861564314 757069376 /nfs/dbraw/zinc/06/93/76/757069376.db2.gz KFHLIAMJEDMRPD-VIFPVBQESA-N 1 0 296.327 1.092 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000827464025 757093357 /nfs/dbraw/zinc/09/33/57/757093357.db2.gz PHLXPIBMVXBPLU-GFCCVEGCSA-N 1 0 293.323 1.347 20 5 CDBDRO CC(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001019994563 757320681 /nfs/dbraw/zinc/32/06/81/757320681.db2.gz ZWMHZCFCBRBWPY-JOCQHMNTSA-N 1 0 291.351 1.988 20 5 CDBDRO Cc1c(Cc2noc(CCC[NH3+])n2)cccc1[N+](=O)[O-] ZINC000843191577 757598681 /nfs/dbraw/zinc/59/86/81/757598681.db2.gz JQIBKJZBUUSGCD-UHFFFAOYSA-N 1 0 276.296 1.768 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843358539 757665645 /nfs/dbraw/zinc/66/56/45/757665645.db2.gz CTYILSFKZIVLQV-LBPRGKRZSA-N 1 0 293.323 1.610 20 5 CDBDRO C[C@H]([NH3+])CN(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000861565960 757734727 /nfs/dbraw/zinc/73/47/27/757734727.db2.gz XKWQXGPPWYUBJI-JTQLQIEISA-N 1 0 280.328 1.126 20 5 CDBDRO CCC[N@H+](CC[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000929694823 758047709 /nfs/dbraw/zinc/04/77/09/758047709.db2.gz AZBGOIHMPIQRQO-TUAOUCFPSA-N 1 0 256.346 1.789 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1cccnc1[N+](=O)[O-] ZINC000886827557 758059146 /nfs/dbraw/zinc/05/91/46/758059146.db2.gz NHOBNOPIOMFEPR-PWSUYJOCSA-N 1 0 264.329 1.692 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822858988 758149558 /nfs/dbraw/zinc/14/95/58/758149558.db2.gz NYCCSGBVRDJFNW-LBPRGKRZSA-N 1 0 285.388 1.670 20 5 CDBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886222704 758250047 /nfs/dbraw/zinc/25/00/47/758250047.db2.gz ADMLQLGIHUCRBL-RYUDHWBXSA-N 1 0 265.313 1.583 20 5 CDBDRO C[C@H]1CCCN(Cc2cccnc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000886830789 758344451 /nfs/dbraw/zinc/34/44/51/758344451.db2.gz XJILXMIPQSGYMK-CMPLNLGQSA-N 1 0 264.329 1.549 20 5 CDBDRO Cn1c(C(=O)OCC[C@@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000927660272 758349160 /nfs/dbraw/zinc/34/91/60/758349160.db2.gz DUTRJBDDJILANA-NSHDSACASA-N 1 0 295.339 1.965 20 5 CDBDRO CC[C@@H]1C(=O)NCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000933221658 758627046 /nfs/dbraw/zinc/62/70/46/758627046.db2.gz ISOJYTUWVGJGLC-CQSZACIVSA-N 1 0 291.351 1.738 20 5 CDBDRO CC(C)(C)c1ccc(C(=O)NCC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000262018397 758808523 /nfs/dbraw/zinc/80/85/23/758808523.db2.gz LRZHZJNBCPNVEM-UHFFFAOYSA-N 1 0 291.351 1.842 20 5 CDBDRO COC[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582751 758825991 /nfs/dbraw/zinc/82/59/91/758825991.db2.gz BPFORVJJVABCBI-BXUZGUMPSA-N 1 0 280.324 1.597 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2CN(C)C2)c1F ZINC001173175259 912281514 /nfs/dbraw/zinc/28/15/14/912281514.db2.gz BGFHDBHGVPNYLP-SECBINFHSA-N 1 0 297.330 1.577 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCOC[C@H]1O ZINC001173216352 912297246 /nfs/dbraw/zinc/29/72/46/912297246.db2.gz IWURAOMNRFNEJM-ZLKJLUDKSA-N 1 0 280.324 1.265 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@](C)(O)C1 ZINC001173221181 912307460 /nfs/dbraw/zinc/30/74/60/912307460.db2.gz GDTGCFAUWCUNCL-FZMZJTMJSA-N 1 0 264.325 1.983 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001173223572 912309701 /nfs/dbraw/zinc/30/97/01/912309701.db2.gz AZHHJAAXSSAXJO-AAEUAGOBSA-N 1 0 291.351 1.723 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(O)CC1 ZINC001173224282 912311420 /nfs/dbraw/zinc/31/14/20/912311420.db2.gz DFWWGSRELGWAMV-NSHDSACASA-N 1 0 264.325 1.983 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1[C@H](O)CCC[C@@H]1O ZINC001173229262 912323854 /nfs/dbraw/zinc/32/38/54/912323854.db2.gz SDGCCCCVRSMYCU-BSLXNSKLSA-N 1 0 294.351 1.390 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@]1(CO)CCOC1 ZINC001173231465 912327902 /nfs/dbraw/zinc/32/79/02/912327902.db2.gz ZOUDFSNOJSOKMH-FZMZJTMJSA-N 1 0 280.324 1.267 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCNC(=O)C1 ZINC001173210885 912330529 /nfs/dbraw/zinc/33/05/29/912330529.db2.gz PAHPMWWPBGZVQQ-YPMHNXCESA-N 1 0 291.351 1.642 20 5 CDBDRO CC(C)CNC(=O)C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173236176 912330662 /nfs/dbraw/zinc/33/06/62/912330662.db2.gz YPYUTDLNPOOIBW-LBPRGKRZSA-N 1 0 293.367 1.888 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(C)C1 ZINC001173210103 912331565 /nfs/dbraw/zinc/33/15/65/912331565.db2.gz IJAVMLLXSLAKSG-DGCLKSJQSA-N 1 0 263.341 1.820 20 5 CDBDRO O=[N+]([O-])c1ccnn1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000172957777 912426974 /nfs/dbraw/zinc/42/69/74/912426974.db2.gz NDUOTTRINAJRBO-CYBMUJFWSA-N 1 0 293.371 1.557 20 5 CDBDRO C[C@](O)(C[NH2+]CCc1ccccc1[N+](=O)[O-])C(F)F ZINC000698647252 912614678 /nfs/dbraw/zinc/61/46/78/912614678.db2.gz SCQUFRPYRDDSMW-LBPRGKRZSA-N 1 0 274.267 1.743 20 5 CDBDRO CN1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)CCC1=O ZINC001167246939 894955089 /nfs/dbraw/zinc/95/50/89/894955089.db2.gz RBPAUFAPZMJHON-NSHDSACASA-N 1 0 290.323 1.231 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC2(C1)CCC[NH2+]C2 ZINC000709826457 901946475 /nfs/dbraw/zinc/94/64/75/901946475.db2.gz FSHBKBXGJPWUPP-UHFFFAOYSA-N 1 0 282.731 1.833 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(NC(=N)SCC[NH3+])n1 ZINC001167908807 902091309 /nfs/dbraw/zinc/09/13/09/902091309.db2.gz AYPUCGPZXUDRNV-UHFFFAOYSA-N 1 0 271.302 1.037 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@H](C)C[N+](C)(C)C ZINC001225450459 902745691 /nfs/dbraw/zinc/74/56/91/902745691.db2.gz IQYGBGQHVYMMAC-SNVBAGLBSA-N 1 0 297.331 1.855 20 5 CDBDRO C[C@@]1(O)C[C@H](CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)C1 ZINC001168343924 909129911 /nfs/dbraw/zinc/12/99/11/909129911.db2.gz HGAOLOOQADURSC-DEZZCRIOSA-N 1 0 277.324 1.771 20 5 CDBDRO CNC(=O)CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904790 912038686 /nfs/dbraw/zinc/03/86/86/912038686.db2.gz ANRKIQQJYDSFHO-ZDUSSCGKSA-N 1 0 291.351 1.568 20 5 CDBDRO C[C@H]1CC[C@@H](C[NH3+])N(c2ncc([N+](=O)[O-])cc2F)C1 ZINC001164069419 924554271 /nfs/dbraw/zinc/55/42/71/924554271.db2.gz KGPIATSUCBLXQC-IUCAKERBSA-N 1 0 268.292 1.693 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001165388746 925023177 /nfs/dbraw/zinc/02/31/77/925023177.db2.gz ZTMIXRXCNUYGGT-RKDXNWHRSA-N 1 0 268.704 1.584 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H](C)C[NH+](C)C ZINC001155913721 927197298 /nfs/dbraw/zinc/19/72/98/927197298.db2.gz BTWQHPFJTOZXIH-QMMMGPOBSA-N 1 0 282.300 1.138 20 5 CDBDRO [NH3+]CCN(c1cccnc1)c1ncnc(Cl)c1[N+](=O)[O-] ZINC001168832901 927481056 /nfs/dbraw/zinc/48/10/56/927481056.db2.gz YHDPTWAOKNRTCC-UHFFFAOYSA-N 1 0 294.702 1.530 20 5 CDBDRO [NH3+][C@@H]1CCN(c2cnc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001156228957 927495491 /nfs/dbraw/zinc/49/54/91/927495491.db2.gz QSZUCJHEDAGLKS-MRVPVSSYSA-N 1 0 259.269 1.075 20 5 CDBDRO [NH3+][C@@H]1CCN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)C1 ZINC001156233605 927538162 /nfs/dbraw/zinc/53/81/62/927538162.db2.gz SSVGSGBOWMTONI-LLVKDONJSA-N 1 0 285.307 1.589 20 5 CDBDRO COCCn1cncc1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168978633 927565964 /nfs/dbraw/zinc/56/59/64/927565964.db2.gz TWGFJUBWHVHASU-NEPJUHHUSA-N 1 0 282.344 1.065 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC001168984327 927573130 /nfs/dbraw/zinc/57/31/30/927573130.db2.gz LYZFOWHKFDJOKU-ONGXEEELSA-N 1 0 253.277 1.756 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CCN(CCF)CC2)C1 ZINC001168984623 927573428 /nfs/dbraw/zinc/57/34/28/927573428.db2.gz PDANKCLLGMBVDO-DGCLKSJQSA-N 1 0 273.352 1.455 20 5 CDBDRO Cc1ncc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)s1 ZINC001168961907 927582583 /nfs/dbraw/zinc/58/25/83/927582583.db2.gz LDVPPRNXDUJSOC-ZJUUUORDSA-N 1 0 255.343 1.987 20 5 CDBDRO Cc1ccc(C[NH3+])nc1N(C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168963218 927585044 /nfs/dbraw/zinc/58/50/44/927585044.db2.gz OTOOUYJEWAYDJY-DGCLKSJQSA-N 1 0 278.356 1.730 20 5 CDBDRO CSCC[C@@H](CO)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168965538 927589173 /nfs/dbraw/zinc/58/91/73/927589173.db2.gz ALIOFWGHAXBJPK-MXWKQRLJSA-N 1 0 262.375 1.135 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2(F)CCOCC2)C1 ZINC001168969083 927591632 /nfs/dbraw/zinc/59/16/32/927591632.db2.gz BYONNBVLWHTWHJ-GHMZBOCLSA-N 1 0 260.309 1.540 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2(F)CCOCC2)C1 ZINC001168969086 927592446 /nfs/dbraw/zinc/59/24/46/927592446.db2.gz BYONNBVLWHTWHJ-WDEREUQCSA-N 1 0 260.309 1.540 20 5 CDBDRO CCOC(=O)CCCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168970940 927594011 /nfs/dbraw/zinc/59/40/11/927594011.db2.gz JHTYHSZMUJRVAD-VXGBXAGGSA-N 1 0 272.345 1.755 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1O ZINC001168997483 927603370 /nfs/dbraw/zinc/60/33/70/927603370.db2.gz ZWYBKUXFKWGZKZ-RYUDHWBXSA-N 1 0 280.324 1.936 20 5 CDBDRO [NH3+]C[C@@H]1Cc2ccccc2CN1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169001058 927605847 /nfs/dbraw/zinc/60/58/47/927605847.db2.gz CQYRCZVEONCGBT-KCXAZCMYSA-N 1 0 289.379 1.817 20 5 CDBDRO COc1cccc([C@@H](CO)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169005629 927608323 /nfs/dbraw/zinc/60/83/23/927608323.db2.gz BUOXWAWNFHXUEG-NJZAAPMLSA-N 1 0 294.351 1.764 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H](N2CCn3ccnc3C2)C1 ZINC001169010089 927613192 /nfs/dbraw/zinc/61/31/92/927613192.db2.gz ATVOYGJUGYPCDU-QWRGUYRKSA-N 1 0 250.302 1.144 20 5 CDBDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@]1(C)O ZINC001169010917 927616848 /nfs/dbraw/zinc/61/68/48/927616848.db2.gz GEAZCCMZVDQICX-LPWJVIDDSA-N 1 0 256.346 1.525 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@](CO)(C(F)(F)F)C2)C1 ZINC001169013819 927619368 /nfs/dbraw/zinc/61/93/68/927619368.db2.gz WNGPAPGEACYJSZ-VWYCJHECSA-N 1 0 296.289 1.679 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCN2CCC(F)(F)C2)C1 ZINC001168990249 927629927 /nfs/dbraw/zinc/62/99/27/927629927.db2.gz ZBEOQZNHHXIHNI-QWRGUYRKSA-N 1 0 277.315 1.362 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](N3CCCC3)C2)C1 ZINC001169028920 927636275 /nfs/dbraw/zinc/63/62/75/927636275.db2.gz SUTRDHLPEDMSMH-MCIONIFRSA-N 1 0 267.373 1.602 20 5 CDBDRO COC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H]1C ZINC001169034549 927640164 /nfs/dbraw/zinc/64/01/64/927640164.db2.gz HRWAIPKSSFNWCW-FDYHWXHSSA-N 1 0 284.356 1.705 20 5 CDBDRO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035789 927644646 /nfs/dbraw/zinc/64/46/46/927644646.db2.gz CHTKHZXAXONUSS-RNJOBUHISA-N 1 0 286.372 1.951 20 5 CDBDRO O=C1CCCN1C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169036851 927648286 /nfs/dbraw/zinc/64/82/86/927648286.db2.gz HSJWZYFUHKPGGI-GXTWGEPZSA-N 1 0 295.383 1.519 20 5 CDBDRO Cc1noc([C@@H]2CCC[N@@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001169039248 927650357 /nfs/dbraw/zinc/65/03/57/927650357.db2.gz OPONELLQOCUNIQ-SRVKXCTJSA-N 1 0 280.328 1.960 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](Oc3ccncc3)C2)C1 ZINC001169039665 927650893 /nfs/dbraw/zinc/65/08/93/927650893.db2.gz RXVDZNINVOHINO-NFAWXSAZSA-N 1 0 291.351 1.980 20 5 CDBDRO CN1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2cccnc21 ZINC001169026222 927666289 /nfs/dbraw/zinc/66/62/89/927666289.db2.gz WADQZAOOLASDJI-GXTWGEPZSA-N 1 0 290.367 1.779 20 5 CDBDRO CN1C(=O)CC[C@@H]2C[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@H]21 ZINC001169050615 927668670 /nfs/dbraw/zinc/66/86/70/927668670.db2.gz BYIVNGXZLGEHDF-YIYPIFLZSA-N 1 0 295.383 1.375 20 5 CDBDRO CCN1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C(C)(C)C1 ZINC001169053581 927673061 /nfs/dbraw/zinc/67/30/61/927673061.db2.gz JBVXPIHHMMHRKA-CHWSQXEVSA-N 1 0 269.389 1.848 20 5 CDBDRO C[C@@H]([NH3+])c1ccn(-c2ccc3nsnc3c2[N+](=O)[O-])n1 ZINC001169233166 927845398 /nfs/dbraw/zinc/84/53/98/927845398.db2.gz NGXIHVMKNREKGT-ZCFIWIBFSA-N 1 0 290.308 1.805 20 5 CDBDRO C[C@@H]1CN(c2ccc3ccc([N+](=O)[O-])cc3n2)CC[NH2+]1 ZINC001156688932 928924029 /nfs/dbraw/zinc/92/40/29/928924029.db2.gz CWXBWPAVGNWORA-SNVBAGLBSA-N 1 0 272.308 1.941 20 5 CDBDRO N=C(Nc1cc(Cl)cc([N+](=O)[O-])n1)SCC[NH3+] ZINC001157129316 929208502 /nfs/dbraw/zinc/20/85/02/929208502.db2.gz XPPGQGFUHCTDOI-UHFFFAOYSA-N 1 0 275.721 1.682 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[NH2+]C(C)(C)C ZINC001320070877 931497335 /nfs/dbraw/zinc/49/73/35/931497335.db2.gz KNHYKLCQCSOIGT-UHFFFAOYSA-N 1 0 295.339 1.608 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N(C)CC[N@H+](C)C2CC2)n1 ZINC001154537273 937555548 /nfs/dbraw/zinc/55/55/48/937555548.db2.gz PUOSPSZVVMUVLD-UHFFFAOYSA-N 1 0 292.339 1.464 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(NC/C=C/C[NH3+])n1 ZINC001160976870 932274925 /nfs/dbraw/zinc/27/49/25/932274925.db2.gz MBLGQZYTOIHJGU-NSCUHMNNSA-N 1 0 256.693 1.878 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2C[NH+]3CCC2CC3)n1 ZINC001155663139 937661664 /nfs/dbraw/zinc/66/16/64/937661664.db2.gz WPHKMMXXEDGQCX-VIFPVBQESA-N 1 0 297.746 1.853 20 5 CDBDRO C[C@H](O)[C@H](C)[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC001120559250 937810369 /nfs/dbraw/zinc/81/03/69/937810369.db2.gz PRFHKWFZRGXJPB-UWVGGRQHSA-N 1 0 253.302 1.366 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC001122079072 937904100 /nfs/dbraw/zinc/90/41/00/937904100.db2.gz GMLWAWUSUDVCTP-ZDUSSCGKSA-N 1 0 295.364 1.799 20 5 CDBDRO C[C@@H]([NH3+])CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001122252385 937915702 /nfs/dbraw/zinc/91/57/02/937915702.db2.gz QLAQUNIHFGKNCJ-BDAKNGLRSA-N 1 0 251.286 1.509 20 5 CDBDRO Cc1ccnc(N(CCC[NH3+])C(C)C)c1[N+](=O)[O-] ZINC001156118283 938321504 /nfs/dbraw/zinc/32/15/04/938321504.db2.gz BFGVUHZLRPWUQP-UHFFFAOYSA-N 1 0 252.318 1.862 20 5 CDBDRO CN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001156176373 938328836 /nfs/dbraw/zinc/32/88/36/938328836.db2.gz ZVRGKCXVSLSULU-UHFFFAOYSA-N 1 0 286.719 1.070 20 5 CDBDRO C[C@@H]1CN(c2cc(Cl)cc([N+](=O)[O-])n2)CC[NH2+]1 ZINC001156689042 938406001 /nfs/dbraw/zinc/40/60/01/938406001.db2.gz KJEQHXFBBYAYOY-SSDOTTSWSA-N 1 0 256.693 1.441 20 5 CDBDRO Cc1cnc(-n2ccc3c2CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001157442128 938491920 /nfs/dbraw/zinc/49/19/20/938491920.db2.gz JLENDERVPARQIZ-UHFFFAOYSA-N 1 0 258.281 1.735 20 5 CDBDRO COc1ncnc(N[C@H]2CCCC[C@@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001157797331 938547200 /nfs/dbraw/zinc/54/72/00/938547200.db2.gz PZRDDOWOOIZXCP-UWVGGRQHSA-N 1 0 295.343 1.678 20 5 CDBDRO [NH3+][C@@H]1CCc2nn(-c3cc(Cl)ncc3[N+](=O)[O-])cc2C1 ZINC001157979970 938571052 /nfs/dbraw/zinc/57/10/52/938571052.db2.gz LPESRDFXXLXEPZ-MRVPVSSYSA-N 1 0 293.714 1.645 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1ncc([N+](=O)[O-])cc1Cl ZINC001158126099 938585756 /nfs/dbraw/zinc/58/57/56/938585756.db2.gz MIHCNAIBNXRXHU-UHFFFAOYSA-N 1 0 282.691 1.034 20 5 CDBDRO CCN(c1nc(Cl)ncc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC001158199920 938594398 /nfs/dbraw/zinc/59/43/98/938594398.db2.gz HJCZGEMCTIWUHU-MRVPVSSYSA-N 1 0 285.735 1.617 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH2+]C3(CC3)C2)n1 ZINC001158936375 938680487 /nfs/dbraw/zinc/68/04/87/938680487.db2.gz FJCLAUDTLYTOAQ-UHFFFAOYSA-N 1 0 262.313 1.549 20 5 CDBDRO C[NH+](C)CCCCNc1cnc(F)c([N+](=O)[O-])c1 ZINC001161730643 938927498 /nfs/dbraw/zinc/92/74/98/938927498.db2.gz NNNPGYMZZSHCOS-UHFFFAOYSA-N 1 0 256.281 1.883 20 5 CDBDRO [NH3+]Cc1nc2cnccc2n1-c1cccc([N+](=O)[O-])n1 ZINC001162215352 938962448 /nfs/dbraw/zinc/96/24/48/938962448.db2.gz VKLVUCIXSXHCEG-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1N[C@H]1CCC[C@H]([NH3+])C1 ZINC001162396762 939044448 /nfs/dbraw/zinc/04/44/48/939044448.db2.gz NLHYYANFXVJEOM-IUCAKERBSA-N 1 0 266.301 1.680 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c3c2CNC3=O)C1 ZINC001162403017 939046079 /nfs/dbraw/zinc/04/60/79/939046079.db2.gz BNSQPRKPPXWJQT-BDAKNGLRSA-N 1 0 290.323 1.520 20 5 CDBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2C[C@H](F)C[NH2+]2)s1 ZINC001162476503 939063721 /nfs/dbraw/zinc/06/37/21/939063721.db2.gz ZTNWHNVGTZPMRF-BQBZGAKWSA-N 1 0 297.315 1.711 20 5 CDBDRO O=[N+]([O-])c1cccc2cnc(NC[C@@H]3C[C@H](F)C[NH2+]3)nc21 ZINC001162475864 939064120 /nfs/dbraw/zinc/06/41/20/939064120.db2.gz HGGBBTPEDOWUAS-UWVGGRQHSA-N 1 0 291.286 1.650 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)cc1N[C@@H]1C=C[C@H]2C[NH2+]C[C@H]21 ZINC001162789951 939140106 /nfs/dbraw/zinc/14/01/06/939140106.db2.gz OSISKSIJJWLOQZ-DJLDLDEBSA-N 1 0 280.715 1.829 20 5 CDBDRO Cc1nc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)ccc1[N+](=O)[O-] ZINC001162790423 939140468 /nfs/dbraw/zinc/14/04/68/939140468.db2.gz SIIKCMQHAJOURJ-OUAUKWLOSA-N 1 0 260.297 1.484 20 5 CDBDRO Nc1ccnc(NCc2ccc3c(c2)CC[NH2+]C3)c1[N+](=O)[O-] ZINC001162807756 939147554 /nfs/dbraw/zinc/14/75/54/939147554.db2.gz RAJAIBHXEOUGLT-UHFFFAOYSA-N 1 0 299.334 1.830 20 5 CDBDRO COc1ccc(N[C@@]23CCC[C@@H]2[NH2+]CC3)nc1[N+](=O)[O-] ZINC001162978073 939167761 /nfs/dbraw/zinc/16/77/61/939167761.db2.gz NLHJARACAFLCGH-GXFFZTMASA-N 1 0 278.312 1.695 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(NC[C@]23C[NH2+]C[C@H]2COC3)c1F ZINC001163158316 939216156 /nfs/dbraw/zinc/21/61/56/939216156.db2.gz IONOPBOKTCTKCU-HZMBPMFUSA-N 1 0 295.314 1.690 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)cnc1F ZINC001163328807 939248917 /nfs/dbraw/zinc/24/89/17/939248917.db2.gz RVBFKMPKSQAITJ-RNCFNFMXSA-N 1 0 296.302 1.452 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001163342497 939251596 /nfs/dbraw/zinc/25/15/96/939251596.db2.gz QOWBBQUARUESOS-NRUUGDAUSA-N 1 0 263.297 1.444 20 5 CDBDRO COC(=O)Cc1ccc(N[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC001163782819 939330437 /nfs/dbraw/zinc/33/04/37/939330437.db2.gz RRHPQZIQTZSYJF-JTQLQIEISA-N 1 0 295.339 1.672 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1cc(F)cc([N+](=O)[O-])c1C ZINC001163980927 939369661 /nfs/dbraw/zinc/36/96/61/939369661.db2.gz AIEVQYFONAXXCU-UHFFFAOYSA-N 1 0 264.260 1.995 20 5 CDBDRO COc1cc(C)nc(N2C[C@@H](C)CC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC001164069087 939404507 /nfs/dbraw/zinc/40/45/07/939404507.db2.gz IFXVCJNXEDIPJZ-GXSJLCMTSA-N 1 0 294.355 1.870 20 5 CDBDRO C[C@H]1CC[C@@H](C[NH3+])N(c2ncc([N+](=O)[O-])cc2N)C1 ZINC001164074467 939406489 /nfs/dbraw/zinc/40/64/89/939406489.db2.gz TWTQKJXFYFKPKA-IUCAKERBSA-N 1 0 265.317 1.136 20 5 CDBDRO COc1cc(C)nc(N2C[C@H](C[NH3+])CC[C@H]2C)c1[N+](=O)[O-] ZINC001164462736 939475612 /nfs/dbraw/zinc/47/56/12/939475612.db2.gz TXXCWJRNBRWUOT-MNOVXSKESA-N 1 0 294.355 1.870 20 5 CDBDRO C[C@H]1CC[C@@H](C[NH3+])CN1c1ncc([N+](=O)[O-])cc1F ZINC001164463220 939475955 /nfs/dbraw/zinc/47/59/55/939475955.db2.gz YDCBCSJTZCLRKN-IUCAKERBSA-N 1 0 268.292 1.693 20 5 CDBDRO C[C@H]1CC[C@H](C[NH3+])CN1c1ncc([N+](=O)[O-])cc1N ZINC001164467065 939476362 /nfs/dbraw/zinc/47/63/62/939476362.db2.gz DJCGHCRZWHGQAB-DTWKUNHWSA-N 1 0 265.317 1.136 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3C[NH+](C)C[C@H]3C2)n1 ZINC001165149296 939519309 /nfs/dbraw/zinc/51/93/09/939519309.db2.gz OLYJTMMEMOTDKG-IUCAKERBSA-N 1 0 297.746 1.344 20 5 CDBDRO [NH3+][C@]12C[C@H]1CN(c1cc(Cl)ncc1[N+](=O)[O-])C2 ZINC001165315726 939544832 /nfs/dbraw/zinc/54/48/32/939544832.db2.gz XMYWHPZUPKRINQ-WKEGUHRASA-N 1 0 254.677 1.181 20 5 CDBDRO Cc1c(C)c(N2CC[C@H]3C[C@@]3([NH3+])C2)ncc1[N+](=O)[O-] ZINC001165328428 939546114 /nfs/dbraw/zinc/54/61/14/939546114.db2.gz UZSAXGLFJHHCLW-GXFFZTMASA-N 1 0 262.313 1.534 20 5 CDBDRO [NH3+][C@H]1[C@H]2CN(c3cc(Cl)ncc3[N+](=O)[O-])C[C@@H]12 ZINC001165383408 939553649 /nfs/dbraw/zinc/55/36/49/939553649.db2.gz WLHKMUAMRYVQEG-HZJKJOLQSA-N 1 0 254.677 1.037 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(N3CCC[C@@H]4[NH2+]C[C@H]43)c2c1 ZINC001165394352 939558315 /nfs/dbraw/zinc/55/83/15/939558315.db2.gz WXOKLYAJZRLICM-QWHCGFSZSA-N 1 0 285.307 1.479 20 5 CDBDRO CN(C[C@@H]1CC[NH2+]C1)c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001166955510 939658811 /nfs/dbraw/zinc/65/88/11/939658811.db2.gz ZIGLJNDPXYHLMV-SNVBAGLBSA-N 1 0 287.323 1.584 20 5 CDBDRO COc1nc(N2CC[C@H]([NH3+])C(F)(F)C2)ccc1[N+](=O)[O-] ZINC001166962811 939662656 /nfs/dbraw/zinc/66/26/56/939662656.db2.gz YGQXNRYDRSEYFL-QMMMGPOBSA-N 1 0 288.254 1.171 20 5 CDBDRO Cc1c(C[NH2+]CCc2cncn2C)cccc1[N+](=O)[O-] ZINC000401761168 940879423 /nfs/dbraw/zinc/87/94/23/940879423.db2.gz VHCPISBQGBHRNE-UHFFFAOYSA-N 1 0 274.324 1.969 20 5 CDBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](OCC[N+](C)(C)C)[C@H]2C1 ZINC001224775444 941790437 /nfs/dbraw/zinc/79/04/37/941790437.db2.gz KUJHSNFSYCWCOI-MELADBBJSA-N 1 0 299.435 1.965 20 5 CDBDRO C[N@@H+]1CC[C@H](OCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001224777230 941790839 /nfs/dbraw/zinc/79/08/39/941790839.db2.gz PJAREEMLNAZUAV-ZDUSSCGKSA-N 1 0 266.297 1.694 20 5 CDBDRO CCOC(=O)/C=C(/CO[C@@H](C)C[N+](C)(C)C)OCC ZINC001225029465 941817257 /nfs/dbraw/zinc/81/72/57/941817257.db2.gz SWCMGZWOYGBPAX-VWLVURMCSA-N 1 0 274.381 1.581 20 5 CDBDRO C[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cn2)CC1 ZINC001225633519 941892540 /nfs/dbraw/zinc/89/25/40/941892540.db2.gz PVHWQUAZNAJCQR-LLVKDONJSA-N 1 0 251.286 1.853 20 5 CDBDRO Cn1c(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc2ccccc21 ZINC001226233978 941970924 /nfs/dbraw/zinc/97/09/24/941970924.db2.gz AFZUVQGNFOSMTI-CYBMUJFWSA-N 1 0 291.371 1.541 20 5 CDBDRO COc1cnnc(O[C@H](C)C[N+](C)(C)C)c1Cl ZINC001227257514 942159655 /nfs/dbraw/zinc/15/96/55/942159655.db2.gz FNOWABMIRLSRJH-MRVPVSSYSA-N 1 0 260.745 1.612 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001227743778 942216058 /nfs/dbraw/zinc/21/60/58/942216058.db2.gz XWSGDNNJXZNNBX-SECBINFHSA-N 1 0 279.320 1.945 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](Oc2cc(=O)[nH]c(C)c2[N+](=O)[O-])C1 ZINC001228688088 942359292 /nfs/dbraw/zinc/35/92/92/942359292.db2.gz DNDGYINVAQFDHU-SNVBAGLBSA-N 1 0 281.312 1.867 20 5 CDBDRO COC(=O)Cc1cccc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001229753838 942526540 /nfs/dbraw/zinc/52/65/40/942526540.db2.gz HJXQYZQLVAQPIC-LBPRGKRZSA-N 1 0 266.361 1.876 20 5 CDBDRO COc1cc(CC[N+](=O)[O-])ccc1O[C@@H]1CCC[N@H+](C)C1 ZINC001233983654 943707729 /nfs/dbraw/zinc/70/77/29/943707729.db2.gz WRHQQQRVLFZZEA-CYBMUJFWSA-N 1 0 294.351 1.987 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001263103794 943746291 /nfs/dbraw/zinc/74/62/91/943746291.db2.gz MEDOJIFZKVCLAQ-JIMOISOXSA-N 1 0 277.324 1.409 20 5 CDBDRO Cc1nc(Cl)nc(O[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000380730464 943876451 /nfs/dbraw/zinc/87/64/51/943876451.db2.gz IYHXRHZAKRMETK-ZCFIWIBFSA-N 1 0 274.708 1.676 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(O[C@H]2CCc3nccn3C2)n1 ZINC001234882138 943967430 /nfs/dbraw/zinc/96/74/30/943967430.db2.gz VRAIZXSDROPSEW-VIFPVBQESA-N 1 0 290.279 1.589 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COC[C@@H]1F ZINC001254548421 947518664 /nfs/dbraw/zinc/51/86/64/947518664.db2.gz IWQSUJVDZIVZHC-DLOVCJGASA-N 1 0 268.288 1.852 20 5 CDBDRO [NH3+]CCc1cncn1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254564905 947528741 /nfs/dbraw/zinc/52/87/41/947528741.db2.gz BLHBBQRSRUGYAE-CQSZACIVSA-N 1 0 272.308 1.632 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1(CO)CCC1)C2 ZINC001254573348 947532491 /nfs/dbraw/zinc/53/24/91/947532491.db2.gz YBFJUPLDPJDTEL-ZDUSSCGKSA-N 1 0 276.336 1.814 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1CC(O)C1)C2 ZINC001254574187 947533003 /nfs/dbraw/zinc/53/30/03/947533003.db2.gz GQDZPPFKTMBNFE-PEUVISTOSA-N 1 0 262.309 1.423 20 5 CDBDRO O=C(C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCCC1 ZINC001254580278 947537856 /nfs/dbraw/zinc/53/78/56/947537856.db2.gz BXBZJDFVYMGRCF-CYBMUJFWSA-N 1 0 289.335 1.274 20 5 CDBDRO COC(=O)C[C@H](C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580582 947538678 /nfs/dbraw/zinc/53/86/78/947538678.db2.gz GQSUKYJBECHRRN-JOYOIKCWSA-N 1 0 278.308 1.603 20 5 CDBDRO O=C1CCC[C@@H](C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)N1 ZINC001254597931 947547236 /nfs/dbraw/zinc/54/72/36/947547236.db2.gz JLWZIUMHOHYXTC-QWHCGFSZSA-N 1 0 289.335 1.320 20 5 CDBDRO COC[C@H]1CC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611069 947556364 /nfs/dbraw/zinc/55/63/64/947556364.db2.gz UDVBXZQPIGTDEA-ZIAGYGMSSA-N 1 0 262.309 1.783 20 5 CDBDRO CC[N@H+](CCC(=O)OC)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254612120 947556857 /nfs/dbraw/zinc/55/68/57/947556857.db2.gz VEZIZJMNKFXVOH-CQSZACIVSA-N 1 0 292.335 1.947 20 5 CDBDRO CC[N@H+](C1CN(C)C1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254612874 947557012 /nfs/dbraw/zinc/55/70/12/947557012.db2.gz ZYBQKFHNNQYFPP-AWEZNQCLSA-N 1 0 275.352 1.698 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246568984 948288571 /nfs/dbraw/zinc/28/85/71/948288571.db2.gz UGCILCPMIJGXDY-UHIISALHSA-N 1 0 263.341 1.805 20 5 CDBDRO CC(C)(C[NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247625723 948687812 /nfs/dbraw/zinc/68/78/12/948687812.db2.gz XYADDKVZMARMQY-UHFFFAOYSA-N 1 0 281.247 1.415 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247733679 948733031 /nfs/dbraw/zinc/73/30/31/948733031.db2.gz ZFDMLZPVNSQDLC-XPUUQOCRSA-N 1 0 293.258 1.644 20 5 CDBDRO CN(CCCC[NH+](C)C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001307200532 954764204 /nfs/dbraw/zinc/76/42/04/954764204.db2.gz BLNRGUCEXJGVNM-UHFFFAOYSA-N 1 0 294.355 1.472 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC001329703705 956074260 /nfs/dbraw/zinc/07/42/60/956074260.db2.gz QALGRQZKMCPQQJ-RFUOJGKKSA-N 1 0 275.308 1.380 20 5 CDBDRO Cn1cc([N+](=O)[O-])c(NCC[N@@H+]2CCCC2(C)C)n1 ZINC001307139335 956368075 /nfs/dbraw/zinc/36/80/75/956368075.db2.gz GBTWGMCVERZRKQ-UHFFFAOYSA-N 1 0 267.333 1.615 20 5 CDBDRO CCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC001333273119 958202769 /nfs/dbraw/zinc/20/27/69/958202769.db2.gz MUHDABWSTTVIOF-LLVKDONJSA-N 1 0 292.339 1.217 20 5 CDBDRO COC(=O)N1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001321368180 959747623 /nfs/dbraw/zinc/74/76/23/959747623.db2.gz BIAORMDEJJEJBT-UHFFFAOYSA-N 1 0 293.323 1.869 20 5 CDBDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CO1 ZINC001335969391 960129241 /nfs/dbraw/zinc/12/92/41/960129241.db2.gz SVRPVFGDKZNVHJ-NTZNESFSSA-N 1 0 296.323 1.102 20 5 CDBDRO Nc1cc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)ncc1[N+](=O)[O-] ZINC001337804190 961432263 /nfs/dbraw/zinc/43/22/63/961432263.db2.gz AKBYXOITGNCIRL-WDEREUQCSA-N 1 0 277.328 1.611 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCc1nc2ccccc2s1 ZINC001338446895 961802606 /nfs/dbraw/zinc/80/26/06/961802606.db2.gz MCVRKLINYGJJOO-UHFFFAOYSA-N 1 0 251.311 1.705 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NCC[N@H+]1CCC[C@@H](C)C1 ZINC001338681265 961947265 /nfs/dbraw/zinc/94/72/65/961947265.db2.gz MQKWXSCDYVAPDE-LLVKDONJSA-N 1 0 278.356 1.864 20 5 CDBDRO CC(=O)N1CCC([N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001340374549 962911920 /nfs/dbraw/zinc/91/19/20/962911920.db2.gz DJWVUFVOTFXGSX-UHFFFAOYSA-N 1 0 289.335 1.921 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341657789 963500833 /nfs/dbraw/zinc/50/08/33/963500833.db2.gz HFMPSTLMKUEBPP-XXILOJSOSA-N 1 0 263.297 1.162 20 5 CDBDRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC001341889978 963573323 /nfs/dbraw/zinc/57/33/23/963573323.db2.gz OOCMLCHYJHDBQF-IGJVIKARSA-N 1 0 289.335 1.504 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001343505903 964013701 /nfs/dbraw/zinc/01/37/01/964013701.db2.gz OTMXHVBOHPDKRY-DRZSPHRISA-N 1 0 277.324 1.552 20 5 CDBDRO O=[N+]([O-])c1ccc(NCC[NH2+]CC2(O)CCC2)cc1 ZINC001353238240 967812338 /nfs/dbraw/zinc/81/23/38/967812338.db2.gz DPVIGZLRYRJXHD-UHFFFAOYSA-N 1 0 265.313 1.511 20 5 CDBDRO C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001356581505 969436450 /nfs/dbraw/zinc/43/64/50/969436450.db2.gz ARUOPYCGXPLHLE-WFASDCNBSA-N 1 0 293.367 1.560 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001358144252 969701596 /nfs/dbraw/zinc/70/15/96/969701596.db2.gz ZWEPHQWLDZINGI-OPQQBVKSSA-N 1 0 277.324 1.770 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CN1CC[NH2+]CC1 ZINC001574159959 1170900477 /nfs/dbraw/zinc/90/04/77/1170900477.db2.gz ZXXFRTCCOGLISX-UHFFFAOYSA-N 1 0 292.339 1.055 20 5 CDBDRO O=[N+]([O-])c1ccc2nccc(N3CCOCC3)c2c1 ZINC000601098928 342463936 /nfs/dbraw/zinc/46/39/36/342463936.db2.gz KJNPJVQYGPFZMU-UHFFFAOYSA-N 1 0 259.265 1.980 20 5 CDBDRO Cc1c([C@@H](C)[NH2+][C@@H]2COC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000601291198 342549601 /nfs/dbraw/zinc/54/96/01/342549601.db2.gz HUFVEODFPSNOPN-XWIASGKRSA-N 1 0 266.297 1.314 20 5 CDBDRO C[C@@H](CCO)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000097441245 342004135 /nfs/dbraw/zinc/00/41/35/342004135.db2.gz HOTGKFMDEALGHK-NSHDSACASA-N 1 0 252.314 1.745 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(OCC[C@H]2CC[NH2+]C2)c1 ZINC000564925530 365547186 /nfs/dbraw/zinc/54/71/86/365547186.db2.gz AGOFFEGGNVGDDY-SNVBAGLBSA-N 1 0 294.307 1.760 20 5 CDBDRO C[NH2+]CCC1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000070189250 361769943 /nfs/dbraw/zinc/76/99/43/361769943.db2.gz FDYTZALWGSPDCV-UHFFFAOYSA-N 1 0 280.328 1.385 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000590569803 342576988 /nfs/dbraw/zinc/57/69/88/342576988.db2.gz SNNXFZWSYVWJRP-RKDXNWHRSA-N 1 0 295.368 1.833 20 5 CDBDRO O=[N+]([O-])c1ccsc1NC[C@@H]1CCC[N@H+]1CCCO ZINC000590707665 342585068 /nfs/dbraw/zinc/58/50/68/342585068.db2.gz RMGOWIMPYUIBFE-JTQLQIEISA-N 1 0 285.369 1.915 20 5 CDBDRO COc1ccc(NC(=O)CC[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000136478794 342071553 /nfs/dbraw/zinc/07/15/53/342071553.db2.gz CILHSRZXWATMTG-UHFFFAOYSA-N 1 0 281.312 1.930 20 5 CDBDRO C[C@@H](CNc1cccnc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000609039179 342087873 /nfs/dbraw/zinc/08/78/73/342087873.db2.gz STHUWLRRDIUVEQ-NSHDSACASA-N 1 0 279.344 1.038 20 5 CDBDRO COc1ccc(C[NH2+]CC2(CO)CC2)cc1[N+](=O)[O-] ZINC000118906814 342127940 /nfs/dbraw/zinc/12/79/40/342127940.db2.gz GWGPCZXFRFDFHN-UHFFFAOYSA-N 1 0 266.297 1.466 20 5 CDBDRO C[C@H](NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000591580992 342638046 /nfs/dbraw/zinc/63/80/46/342638046.db2.gz IWGHIROBYPWIGC-DLOVCJGASA-N 1 0 267.304 1.945 20 5 CDBDRO COc1cc(N2CC[C@@H]3CC[NH2+][C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000591439065 342632129 /nfs/dbraw/zinc/63/21/29/342632129.db2.gz RYFBHPXOLUTIKP-ONGXEEELSA-N 1 0 295.314 1.931 20 5 CDBDRO COc1cccc(C(=O)N[C@H]2CCC[NH2+]CC2)c1[N+](=O)[O-] ZINC000592330539 342685287 /nfs/dbraw/zinc/68/52/87/342685287.db2.gz RHLIHYRKTNHJHH-JTQLQIEISA-N 1 0 293.323 1.475 20 5 CDBDRO CC1([NH3+])CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000592543838 342708803 /nfs/dbraw/zinc/70/88/03/342708803.db2.gz PIKLDXIXTYNIBO-UHFFFAOYSA-N 1 0 292.339 1.347 20 5 CDBDRO C[C@H]([NH3+])CCC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000070316154 361929211 /nfs/dbraw/zinc/92/92/11/361929211.db2.gz CDHHCSGVFRMDOF-UWVGGRQHSA-N 1 0 265.313 1.899 20 5 CDBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2COCCN2)cccc1[N+](=O)[O-] ZINC000600709265 342243451 /nfs/dbraw/zinc/24/34/51/342243451.db2.gz HXDLIQPNKMQEHS-NWDGAFQWSA-N 1 0 279.340 1.542 20 5 CDBDRO CCN(CC[NH3+])CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000600715081 342246432 /nfs/dbraw/zinc/24/64/32/342246432.db2.gz DVJIJGCKJFTSOC-UHFFFAOYSA-N 1 0 280.328 1.122 20 5 CDBDRO O=[N+]([O-])c1ccc(CO)c(-c2nc3c(s2)C[NH2+]CC3)c1 ZINC000600784130 342249277 /nfs/dbraw/zinc/24/92/77/342249277.db2.gz YGTYIWOFSOIQLE-UHFFFAOYSA-N 1 0 291.332 1.856 20 5 CDBDRO C[C@H]1C[NH+](CCCNc2c([N+](=O)[O-])ncn2C)C[C@H](C)O1 ZINC000023619369 342282762 /nfs/dbraw/zinc/28/27/62/342282762.db2.gz VGSUQYRZSALPAD-QWRGUYRKSA-N 1 0 297.359 1.240 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](C)CO ZINC000595020283 342995943 /nfs/dbraw/zinc/99/59/43/342995943.db2.gz YIBQWPJNMCWDEJ-UWVGGRQHSA-N 1 0 268.313 1.882 20 5 CDBDRO C[C@@H](Cn1cncn1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000595029044 342996607 /nfs/dbraw/zinc/99/66/07/342996607.db2.gz VAPPVWHSSQXING-NSHDSACASA-N 1 0 275.312 1.407 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000595229077 343009370 /nfs/dbraw/zinc/00/93/70/343009370.db2.gz QALKESQFZNBFKH-QMMMGPOBSA-N 1 0 282.300 1.333 20 5 CDBDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595318149 343034490 /nfs/dbraw/zinc/03/44/90/343034490.db2.gz SAYAKXKPPGQQFE-LLVKDONJSA-N 1 0 295.314 1.692 20 5 CDBDRO CC(C)[C@](C)([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C(N)=O ZINC000595484563 343065893 /nfs/dbraw/zinc/06/58/93/343065893.db2.gz RFUSDKXRYDZJJO-ZDUSSCGKSA-N 1 0 283.303 1.724 20 5 CDBDRO C[N@H+](CCc1c[nH]nn1)CCc1ccccc1[N+](=O)[O-] ZINC000595484422 343065903 /nfs/dbraw/zinc/06/59/03/343065903.db2.gz KODNUIYHWFYVKE-UHFFFAOYSA-N 1 0 275.312 1.430 20 5 CDBDRO C[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)C[NH+]1CCCC1 ZINC000076268493 342320296 /nfs/dbraw/zinc/32/02/96/342320296.db2.gz ZEMYALVXPSJCPQ-SECBINFHSA-N 1 0 280.332 1.111 20 5 CDBDRO C[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)C[NH+]1CCCC1 ZINC000076268490 342320305 /nfs/dbraw/zinc/32/03/05/342320305.db2.gz ZEMYALVXPSJCPQ-VIFPVBQESA-N 1 0 280.332 1.111 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000235726997 362039388 /nfs/dbraw/zinc/03/93/88/362039388.db2.gz VPXOZNGDXKKDBE-WCBMZHEXSA-N 1 0 281.287 1.604 20 5 CDBDRO CC[N@H+](C)C[C@@H](O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000382503754 362120846 /nfs/dbraw/zinc/12/08/46/362120846.db2.gz LWPOMWHUMJUQHC-SNVBAGLBSA-N 1 0 288.731 1.940 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000595981497 343210471 /nfs/dbraw/zinc/21/04/71/343210471.db2.gz DJPDIXSDXSRLIL-JTQLQIEISA-N 1 0 279.340 1.597 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000595982260 343210737 /nfs/dbraw/zinc/21/07/37/343210737.db2.gz CZBYOUBLQWFROB-SECBINFHSA-N 1 0 251.286 1.241 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000595983573 343211105 /nfs/dbraw/zinc/21/11/05/343211105.db2.gz PCVBNSTVASEXEP-SECBINFHSA-N 1 0 288.307 1.481 20 5 CDBDRO COc1cccc([N+](=O)[O-])c1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000596015681 343219046 /nfs/dbraw/zinc/21/90/46/343219046.db2.gz GKUMKUXNACGOAE-QWRGUYRKSA-N 1 0 277.324 1.792 20 5 CDBDRO COc1ccc(NC(=O)[C@@H]2[NH2+]CCC2(C)C)cc1[N+](=O)[O-] ZINC000595952216 343194901 /nfs/dbraw/zinc/19/49/01/343194901.db2.gz NGSNEJHTUPEHNL-LBPRGKRZSA-N 1 0 293.323 1.930 20 5 CDBDRO Cc1cc(N2CCC[N@H+](CCO)CC2)c([N+](=O)[O-])s1 ZINC000596113126 343230848 /nfs/dbraw/zinc/23/08/48/343230848.db2.gz MZBFERJYMOAYFS-UHFFFAOYSA-N 1 0 285.369 1.469 20 5 CDBDRO CC(C)[NH2+][C@H]1CCCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596098244 343235574 /nfs/dbraw/zinc/23/55/74/343235574.db2.gz JKDRVUQVUUVZNX-JTQLQIEISA-N 1 0 280.328 1.662 20 5 CDBDRO O=c1[nH]ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000596135593 343239714 /nfs/dbraw/zinc/23/97/14/343239714.db2.gz XCOCSIRKAQYSJY-NSHDSACASA-N 1 0 292.339 1.618 20 5 CDBDRO O=c1[nH]ccc(NCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000596060767 343223379 /nfs/dbraw/zinc/22/33/79/343223379.db2.gz GZULZHWFVXIOHY-UHFFFAOYSA-N 1 0 280.328 1.983 20 5 CDBDRO CCc1nn(C)c(N2CC[C@@H](C[N@@H+](C)CC)C2)c1[N+](=O)[O-] ZINC000092830483 342419453 /nfs/dbraw/zinc/41/94/53/342419453.db2.gz PWHMEASMIQWNFP-NSHDSACASA-N 1 0 295.387 1.669 20 5 CDBDRO CCc1nn(C)c(N2CC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000094154258 342430010 /nfs/dbraw/zinc/43/00/10/342430010.db2.gz JFOPBQMHMXYPHO-NSHDSACASA-N 1 0 293.371 1.565 20 5 CDBDRO COc1cc(C(=O)NCC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000597991667 343682187 /nfs/dbraw/zinc/68/21/87/343682187.db2.gz GQMMYTNQBQRENI-JTQLQIEISA-N 1 0 295.339 1.673 20 5 CDBDRO Cc1cc(C(=O)NCC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000597997600 343685394 /nfs/dbraw/zinc/68/53/94/343685394.db2.gz NLWUMYRLSILZGZ-NSHDSACASA-N 1 0 279.340 1.973 20 5 CDBDRO C[NH2+]C1(CNc2ncnc3cccc([N+](=O)[O-])c32)CCC1 ZINC000598633077 343849724 /nfs/dbraw/zinc/84/97/24/343849724.db2.gz JVSDOVGQFHZMTA-UHFFFAOYSA-N 1 0 287.323 1.514 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000598668653 343871842 /nfs/dbraw/zinc/87/18/42/343871842.db2.gz CXSQXYFIIREDAA-SWLSCSKDSA-N 1 0 289.335 1.857 20 5 CDBDRO COc1cc(OC[C@@H](O)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000515339611 362296869 /nfs/dbraw/zinc/29/68/69/362296869.db2.gz NHVZSLHDQWBXFE-NSHDSACASA-N 1 0 298.339 1.683 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000128912049 362277148 /nfs/dbraw/zinc/27/71/48/362277148.db2.gz SMQKOZLZQDDODE-JTQLQIEISA-N 1 0 263.297 1.337 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000599081255 343957329 /nfs/dbraw/zinc/95/73/29/343957329.db2.gz KDTWCVUNOWAKKE-GBIKHYSHSA-N 1 0 262.309 1.943 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599176744 343968423 /nfs/dbraw/zinc/96/84/23/343968423.db2.gz WBYULXRLMWLTTM-GFCCVEGCSA-N 1 0 265.313 1.382 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+](C1CC1)C1CC1 ZINC000599599586 344099671 /nfs/dbraw/zinc/09/96/71/344099671.db2.gz MJHFIOLUNRALQO-UHFFFAOYSA-N 1 0 263.297 1.383 20 5 CDBDRO CCN(CC[NH3+])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000599908713 344154359 /nfs/dbraw/zinc/15/43/59/344154359.db2.gz VBUQBMJSRUXPPA-JTQLQIEISA-N 1 0 280.328 1.646 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000127226880 187290427 /nfs/dbraw/zinc/29/04/27/187290427.db2.gz UYXGBYXTKNUPNT-NNNHXZLVSA-N 1 0 275.308 1.428 20 5 CDBDRO O=C(N[C@H]1CC[NH2+]C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602423795 344420793 /nfs/dbraw/zinc/42/07/93/344420793.db2.gz HCLWLAOSKAGWMC-LBPRGKRZSA-N 1 0 289.335 1.495 20 5 CDBDRO CC[NH2+][C@H](C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000602438127 344416713 /nfs/dbraw/zinc/41/67/13/344416713.db2.gz BSHNBRQTLNPVNS-SECBINFHSA-N 1 0 251.286 1.209 20 5 CDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1c(F)cccc1[N+](=O)[O-])C2 ZINC000602530141 344455724 /nfs/dbraw/zinc/45/57/24/344455724.db2.gz PAOBWWIIQJGQPT-XPTSAGLGSA-N 1 0 293.298 1.687 20 5 CDBDRO O=C1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCCN1 ZINC000602539802 344472738 /nfs/dbraw/zinc/47/27/38/344472738.db2.gz KXLUGHOQIRCRBG-NSHDSACASA-N 1 0 293.323 1.232 20 5 CDBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602590239 344479358 /nfs/dbraw/zinc/47/93/58/344479358.db2.gz YDXHUMMEAPDHDP-ONGXEEELSA-N 1 0 281.699 1.435 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@]1(C)CCCO ZINC000602800500 344590513 /nfs/dbraw/zinc/59/05/13/344590513.db2.gz XAVMZCYPMFQRND-AWEZNQCLSA-N 1 0 296.371 1.727 20 5 CDBDRO CC[C@]1([NH2+]CCn2c(C)ncc2[N+](=O)[O-])CCOC1 ZINC000602826183 344611946 /nfs/dbraw/zinc/61/19/46/344611946.db2.gz LELITRPRKFASRK-LBPRGKRZSA-N 1 0 268.317 1.258 20 5 CDBDRO C[C@](C[NH3+])(NC(=O)COc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000154853705 362457199 /nfs/dbraw/zinc/45/71/99/362457199.db2.gz ZPVPKWDMCMZYNV-CQSZACIVSA-N 1 0 293.323 1.217 20 5 CDBDRO CC1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000129057700 362490012 /nfs/dbraw/zinc/49/00/12/362490012.db2.gz XJAZZQZWQFXNQT-UHFFFAOYSA-N 1 0 295.314 1.853 20 5 CDBDRO [NH3+]CCCc1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000603225002 344738257 /nfs/dbraw/zinc/73/82/57/344738257.db2.gz YRERVMSRWSXPPM-UHFFFAOYSA-N 1 0 279.275 1.265 20 5 CDBDRO COc1ccc(CN[C@@H]2C[C@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000603430556 344802974 /nfs/dbraw/zinc/80/29/74/344802974.db2.gz AFDOKMRKSROPFH-QWHCGFSZSA-N 1 0 279.340 1.819 20 5 CDBDRO Cc1c(C(=O)N[C@](C)(C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000127276179 187293511 /nfs/dbraw/zinc/29/35/11/187293511.db2.gz WZGNWSQRCXOXFR-CQSZACIVSA-N 1 0 277.324 1.760 20 5 CDBDRO C[C@]1(NC(=O)c2ccc([N+](=O)[O-])s2)CC[NH2+]C1 ZINC000230732157 345440376 /nfs/dbraw/zinc/44/03/76/345440376.db2.gz UVKDTHJGODRHOP-JTQLQIEISA-N 1 0 255.299 1.138 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CO[C@H](C)C1 ZINC000402066458 345711457 /nfs/dbraw/zinc/71/14/57/345711457.db2.gz WNDLCRYLWNHBBU-MWLCHTKSSA-N 1 0 266.297 1.870 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2C3CCCC2CCC3)c1 ZINC000610370019 346265168 /nfs/dbraw/zinc/26/51/68/346265168.db2.gz OOOBPKYNSXTIAO-ORHYLEIMSA-N 1 0 294.355 1.559 20 5 CDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cn[nH]c1 ZINC000610487454 346292335 /nfs/dbraw/zinc/29/23/35/346292335.db2.gz MHIOQVOADYOCQX-UHFFFAOYSA-N 1 0 276.296 1.829 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000085373654 179042937 /nfs/dbraw/zinc/04/29/37/179042937.db2.gz QSORSMJKZBJHSP-WDEREUQCSA-N 1 0 263.297 1.338 20 5 CDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1csc([N+](=O)[O-])c1 ZINC000261545583 535041118 /nfs/dbraw/zinc/04/11/18/535041118.db2.gz FIDTVTCOZXCPLQ-MRVPVSSYSA-N 1 0 271.342 1.760 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2cccs2)c1 ZINC000037880450 346369465 /nfs/dbraw/zinc/36/94/65/346369465.db2.gz MGYLXKBKHCYAPM-LLVKDONJSA-N 1 0 296.352 1.046 20 5 CDBDRO CC(C)[N@H+](CCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000584596042 346495693 /nfs/dbraw/zinc/49/56/93/346495693.db2.gz JQXRZKAPJFWEAT-ZDUSSCGKSA-N 1 0 268.313 1.331 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CCSC1)OCCO2 ZINC000611464392 346793189 /nfs/dbraw/zinc/79/31/89/346793189.db2.gz LFWYQCOASWWJIV-JTQLQIEISA-N 1 0 296.348 1.961 20 5 CDBDRO CC[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000122516389 347652470 /nfs/dbraw/zinc/65/24/70/347652470.db2.gz MLQLYQSNCXUPHQ-WCBMZHEXSA-N 1 0 283.353 1.856 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000086468074 179299079 /nfs/dbraw/zinc/29/90/79/179299079.db2.gz NCFJHICIVGXZDX-XPMWWOIKSA-N 1 0 289.335 1.817 20 5 CDBDRO CC(C)(CCC[NH3+])NC(=O)c1csc([N+](=O)[O-])c1 ZINC000293695704 362931036 /nfs/dbraw/zinc/93/10/36/362931036.db2.gz POQQAKWWHWYJIV-UHFFFAOYSA-N 1 0 271.342 1.904 20 5 CDBDRO C[N@H+](CCNC(=O)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000063117196 348919414 /nfs/dbraw/zinc/91/94/14/348919414.db2.gz DXMPATVMDRTOFM-UHFFFAOYSA-N 1 0 277.324 1.348 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000067613043 349029487 /nfs/dbraw/zinc/02/94/87/349029487.db2.gz LKRAFGDKOJSTAV-NSHDSACASA-N 1 0 289.335 1.870 20 5 CDBDRO Cc1ccc(CNC[C@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000228726742 362947965 /nfs/dbraw/zinc/94/79/65/362947965.db2.gz QFNRHTLSWLWILB-AWEZNQCLSA-N 1 0 281.356 1.305 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000094663488 350173189 /nfs/dbraw/zinc/17/31/89/350173189.db2.gz MVAVMOOFAHXCMU-UHFFFAOYSA-N 1 0 293.367 1.796 20 5 CDBDRO [NH3+]C1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000111009998 350361533 /nfs/dbraw/zinc/36/15/33/350361533.db2.gz RNDGGPDWBSKWPR-UHFFFAOYSA-N 1 0 283.715 1.812 20 5 CDBDRO Cc1ccc(C(=O)NCC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000110794527 186325083 /nfs/dbraw/zinc/32/50/83/186325083.db2.gz IZIYSWAFKDWABO-NSHDSACASA-N 1 0 277.324 1.633 20 5 CDBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCC[NH2+]C2)cn1 ZINC000110792914 186324889 /nfs/dbraw/zinc/32/48/89/186324889.db2.gz ZMWSTAVBWIYENZ-SNVBAGLBSA-N 1 0 250.302 1.791 20 5 CDBDRO [NH3+]C1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000208854021 350830855 /nfs/dbraw/zinc/83/08/55/350830855.db2.gz BIWLRMSTKJADOL-PLNGDYQASA-N 1 0 275.308 1.558 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000124782081 351370821 /nfs/dbraw/zinc/37/08/21/351370821.db2.gz YXFGOSPXTWKSKB-CBAPKCEASA-N 1 0 269.326 1.608 20 5 CDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000122202678 187020940 /nfs/dbraw/zinc/02/09/40/187020940.db2.gz WUTKFXMFSWSNSU-ZDUSSCGKSA-N 1 0 265.313 1.698 20 5 CDBDRO Cc1ccc(C(=O)N2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000122320690 187026339 /nfs/dbraw/zinc/02/63/39/187026339.db2.gz RSGFNALGXFXCAU-NSHDSACASA-N 1 0 263.297 1.467 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000122555442 187037782 /nfs/dbraw/zinc/03/77/82/187037782.db2.gz JFVYRRAEAAYWQM-UHFFFAOYSA-N 1 0 265.313 1.842 20 5 CDBDRO C[C@H]([NH2+]CC(=O)NCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000271611688 191240802 /nfs/dbraw/zinc/24/08/02/191240802.db2.gz BCSKACPIDRRPRC-QMMMGPOBSA-N 1 0 287.266 1.627 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])s1)C1CC([NH3+])C1 ZINC000295160327 199379088 /nfs/dbraw/zinc/37/90/88/199379088.db2.gz DUDPKMGULRDIBX-UHFFFAOYSA-N 1 0 255.299 1.218 20 5 CDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(C)(C)CO ZINC000295173330 199386371 /nfs/dbraw/zinc/38/63/71/199386371.db2.gz GZWUXNBOMYRHBB-UHFFFAOYSA-N 1 0 282.340 1.924 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000156286961 188253277 /nfs/dbraw/zinc/25/32/77/188253277.db2.gz UOTHNAIVLUVPCD-NXEZZACHSA-N 1 0 292.339 1.376 20 5 CDBDRO C[NH+](C)CCn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000158248454 188365774 /nfs/dbraw/zinc/36/57/74/188365774.db2.gz XGKHAUPTFXKNBY-UHFFFAOYSA-N 1 0 290.117 1.081 20 5 CDBDRO COC[C@H](CO)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000234823906 358481181 /nfs/dbraw/zinc/48/11/81/358481181.db2.gz SSRUQWDVAJTWMG-JQWIXIFHSA-N 1 0 268.313 1.561 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1 ZINC000290160540 363320667 /nfs/dbraw/zinc/32/06/67/363320667.db2.gz PZAPQTHFLXMPBD-GFCCVEGCSA-N 1 0 298.364 1.509 20 5 CDBDRO C[C@@H](Cn1cccn1)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000264398243 366182911 /nfs/dbraw/zinc/18/29/11/366182911.db2.gz UMGDNDTXYUHTJA-LBPRGKRZSA-N 1 0 290.323 1.848 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]([NH3+])CC(F)F ZINC000336839474 356297031 /nfs/dbraw/zinc/29/70/31/356297031.db2.gz ONYICGPIIOCAKL-SECBINFHSA-N 1 0 287.266 1.536 20 5 CDBDRO CC(C)(C)NC(=O)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000134593151 356355808 /nfs/dbraw/zinc/35/58/08/356355808.db2.gz NHHIKTDCDYGWJC-UHFFFAOYSA-N 1 0 279.340 1.989 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCCO2)c1 ZINC000559239905 356374801 /nfs/dbraw/zinc/37/48/01/356374801.db2.gz TWIAXDLZBDGQPS-TZMCWYRMSA-N 1 0 296.323 1.103 20 5 CDBDRO C[C@@H]1C[C@H](O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000401655353 356407066 /nfs/dbraw/zinc/40/70/66/356407066.db2.gz MVLWHTIYROFENW-PWSUYJOCSA-N 1 0 250.298 1.798 20 5 CDBDRO C[C@H]1[NH2+]CCN(CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000379423947 357113671 /nfs/dbraw/zinc/11/36/71/357113671.db2.gz CIQUMNIPEQEFRG-VXGBXAGGSA-N 1 0 263.341 1.820 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CO)CCOCC2)cc1F ZINC000230733379 357224988 /nfs/dbraw/zinc/22/49/88/357224988.db2.gz LJMYSZCGXUBIRX-UHFFFAOYSA-N 1 0 284.287 1.365 20 5 CDBDRO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000181960528 357393980 /nfs/dbraw/zinc/39/39/80/357393980.db2.gz GHOKHVAKZWYJBB-UHFFFAOYSA-N 1 0 295.343 1.794 20 5 CDBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)C[C@H]21 ZINC000185083735 357507161 /nfs/dbraw/zinc/50/71/61/357507161.db2.gz MXGIGUHEKRLOLO-SFGNSQDASA-N 1 0 281.337 1.466 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000185171372 357516960 /nfs/dbraw/zinc/51/69/60/357516960.db2.gz RETUBBALKJXZKQ-JHJVBQTASA-N 1 0 289.335 1.713 20 5 CDBDRO COCC1=CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000185874376 357587615 /nfs/dbraw/zinc/58/76/15/357587615.db2.gz ODQKGGAPEJQJGD-HNNXBMFYSA-N 1 0 292.335 1.907 20 5 CDBDRO Cc1cc(C(=O)NCC[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000135226995 357798553 /nfs/dbraw/zinc/79/85/53/357798553.db2.gz OCDCGGRZKVNPMX-NSHDSACASA-N 1 0 277.324 1.633 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])s3)CC[C@@H]21 ZINC000192493981 358208857 /nfs/dbraw/zinc/20/88/57/358208857.db2.gz NHCKMWPNOUVQQO-ZJUUUORDSA-N 1 0 282.369 1.972 20 5 CDBDRO COCC1(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000234692596 358262590 /nfs/dbraw/zinc/26/25/90/358262590.db2.gz TUQJYSGNEGCVHS-UHFFFAOYSA-N 1 0 293.323 1.550 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNc1ncc([N+](=O)[O-])c(C)n1 ZINC000294793346 199186520 /nfs/dbraw/zinc/18/65/20/199186520.db2.gz BQOVNCZQCLWBMV-VIFPVBQESA-N 1 0 267.333 1.835 20 5 CDBDRO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000361663361 358410467 /nfs/dbraw/zinc/41/04/67/358410467.db2.gz UCJXVNAEDVYOTG-JQWIXIFHSA-N 1 0 250.298 1.655 20 5 CDBDRO Cc1ccc(NC(=O)C2=CC[C@@H]([NH3+])C2)c(N)c1[N+](=O)[O-] ZINC001579716018 1172247517 /nfs/dbraw/zinc/24/75/17/1172247517.db2.gz ZDBJWMPRWNZENB-SECBINFHSA-N 1 0 276.296 1.471 20 5 CDBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341597111 358680678 /nfs/dbraw/zinc/68/06/78/358680678.db2.gz XJWGJAUPJLOILJ-NWDGAFQWSA-N 1 0 279.340 1.877 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000567473715 358681677 /nfs/dbraw/zinc/68/16/77/358681677.db2.gz QWSNNDMJPUPDCX-JGVFFNPUSA-N 1 0 291.311 1.327 20 5 CDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1c(F)cccc1[N+](=O)[O-] ZINC000287518158 358708346 /nfs/dbraw/zinc/70/83/46/358708346.db2.gz VELZMKUXMFFDGZ-NSHDSACASA-N 1 0 296.346 1.782 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000186750348 358821753 /nfs/dbraw/zinc/82/17/53/358821753.db2.gz UHXLMRLKGQCUCK-CMPLNLGQSA-N 1 0 277.324 1.252 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000341687420 358787244 /nfs/dbraw/zinc/78/72/44/358787244.db2.gz SRBOJNUGXLTYOG-UHFFFAOYSA-N 1 0 286.251 1.228 20 5 CDBDRO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000381334402 359038656 /nfs/dbraw/zinc/03/86/56/359038656.db2.gz CJSJRIPYJXCAGB-NKWVEPMBSA-N 1 0 255.249 1.199 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)c1ccccc1[N+](=O)[O-] ZINC000397193203 359105074 /nfs/dbraw/zinc/10/50/74/359105074.db2.gz PZTWEZJVIHSIOL-UHFFFAOYSA-N 1 0 251.286 1.452 20 5 CDBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])c[nH]1)[NH+]1CCCCC1 ZINC000342433821 359052488 /nfs/dbraw/zinc/05/24/88/359052488.db2.gz LJSMXJWEQIBSOP-NSHDSACASA-N 1 0 294.355 1.917 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(CO)CC2)cc1 ZINC000048347383 359203744 /nfs/dbraw/zinc/20/37/44/359203744.db2.gz UGNOEKIQBLEKCN-UHFFFAOYSA-N 1 0 264.325 1.842 20 5 CDBDRO CCC(CC)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000111831277 359266875 /nfs/dbraw/zinc/26/68/75/359266875.db2.gz PSPGPLNYIVQMDT-UHFFFAOYSA-N 1 0 271.342 1.904 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000054131584 359424730 /nfs/dbraw/zinc/42/47/30/359424730.db2.gz ZBVLGRTWCVIERG-UHFFFAOYSA-N 1 0 285.731 1.930 20 5 CDBDRO CSC[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296736819 359443304 /nfs/dbraw/zinc/44/33/04/359443304.db2.gz ONAYOAIVWKPXQL-CABZTGNLSA-N 1 0 270.354 1.969 20 5 CDBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCN1CCNC1=O ZINC000289515426 359594868 /nfs/dbraw/zinc/59/48/68/359594868.db2.gz VITRNJDJQYXJAW-UHFFFAOYSA-N 1 0 292.339 1.094 20 5 CDBDRO Cc1nc(N2CC[C@@H](C[NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000296943527 200041299 /nfs/dbraw/zinc/04/12/99/200041299.db2.gz BTOYPPJYFVHTGB-LBPRGKRZSA-N 1 0 291.355 1.615 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000135240240 283453077 /nfs/dbraw/zinc/45/30/77/283453077.db2.gz OEYONBLBXZGYBM-SNVBAGLBSA-N 1 0 267.260 1.201 20 5 CDBDRO Cc1nc(N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000297332692 200152245 /nfs/dbraw/zinc/15/22/45/200152245.db2.gz AHUZFPIITIZRAM-KWQFWETISA-N 1 0 277.328 1.588 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000089090897 283480920 /nfs/dbraw/zinc/48/09/20/283480920.db2.gz RJBVVRSTLJZIDC-CMPLNLGQSA-N 1 0 263.297 1.452 20 5 CDBDRO Cc1n[nH]c(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000267335631 359946584 /nfs/dbraw/zinc/94/65/84/359946584.db2.gz YQFXCHUWACDGNI-VHSXEESVSA-N 1 0 295.343 1.229 20 5 CDBDRO CCC[N@H+](CCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000061171033 359984574 /nfs/dbraw/zinc/98/45/74/359984574.db2.gz WMLANEDEYQPIMY-ZDUSSCGKSA-N 1 0 298.339 1.039 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235360136 360049349 /nfs/dbraw/zinc/04/93/49/360049349.db2.gz JNJKNGLWAKQCJH-PWSUYJOCSA-N 1 0 277.324 1.394 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000235445686 360121167 /nfs/dbraw/zinc/12/11/67/360121167.db2.gz XHHRQNJNQLEKMI-ZYHUDNBSSA-N 1 0 277.324 1.774 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000177528808 189055059 /nfs/dbraw/zinc/05/50/59/189055059.db2.gz NSFCLAQWBJOQLK-NXEZZACHSA-N 1 0 281.312 1.790 20 5 CDBDRO CCOC(=O)c1ccnc(NC[C@@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000348158891 360532998 /nfs/dbraw/zinc/53/29/98/360532998.db2.gz PAVWNOSKTDSATL-SECBINFHSA-N 1 0 296.327 1.529 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000178534655 189125194 /nfs/dbraw/zinc/12/51/94/189125194.db2.gz DGWPRWLHKKHOJA-QMMMGPOBSA-N 1 0 283.715 1.669 20 5 CDBDRO CC(C)[C@H](C[NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000087522929 360787594 /nfs/dbraw/zinc/78/75/94/360787594.db2.gz XYSFGOJHLXXFFH-LBPRGKRZSA-N 1 0 265.313 1.442 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC[C@@H]2CO)c1 ZINC000178856835 189151281 /nfs/dbraw/zinc/15/12/81/189151281.db2.gz YAGSSYQADXVBBO-ZIAGYGMSSA-N 1 0 280.324 1.475 20 5 CDBDRO [NH3+][C@@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420150763 283592364 /nfs/dbraw/zinc/59/23/64/283592364.db2.gz XUSLODGQNLMFDV-SECBINFHSA-N 1 0 275.268 1.182 20 5 CDBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](OCCO)C2)cc1[N+](=O)[O-] ZINC000179573262 189202738 /nfs/dbraw/zinc/20/27/38/189202738.db2.gz QJPZICDLXQICBU-CQSZACIVSA-N 1 0 294.351 1.877 20 5 CDBDRO C[C@@H]([NH2+]CC1OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000180244343 189246174 /nfs/dbraw/zinc/24/61/74/189246174.db2.gz KREWSYCWLYNFCM-SECBINFHSA-N 1 0 252.270 1.618 20 5 CDBDRO CN1CCO[C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000121146262 361202118 /nfs/dbraw/zinc/20/21/18/361202118.db2.gz CLCYZROBHXNSRJ-GJZGRUSLSA-N 1 0 291.351 1.152 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000053202168 361203928 /nfs/dbraw/zinc/20/39/28/361203928.db2.gz SZAUCSOHHPUDKL-LLVKDONJSA-N 1 0 277.324 1.727 20 5 CDBDRO C[C@@H]1C[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000267663021 361268488 /nfs/dbraw/zinc/26/84/88/361268488.db2.gz NFHJRBTXIBNLHI-YRGRVCCFSA-N 1 0 294.351 1.922 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000227806649 363947582 /nfs/dbraw/zinc/94/75/82/363947582.db2.gz QGBGRJBJROTXRR-MVWJERBFSA-N 1 0 277.324 1.899 20 5 CDBDRO CCOCC[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000580828806 363948119 /nfs/dbraw/zinc/94/81/19/363948119.db2.gz MABVRQIIEJXOMC-ZDUSSCGKSA-N 1 0 268.313 1.472 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nc1 ZINC000581479287 363994378 /nfs/dbraw/zinc/99/43/78/363994378.db2.gz PAWSQYJKCCVNNH-QWRGUYRKSA-N 1 0 277.328 1.211 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nc1 ZINC000581479288 363995060 /nfs/dbraw/zinc/99/50/60/363995060.db2.gz PAWSQYJKCCVNNH-WDEREUQCSA-N 1 0 277.328 1.211 20 5 CDBDRO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000582181854 364079633 /nfs/dbraw/zinc/07/96/33/364079633.db2.gz VZEWAMLZIFLAHK-LLVKDONJSA-N 1 0 292.339 1.217 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](CO)[C@@H]2CCCO2)c1 ZINC000447904370 364349573 /nfs/dbraw/zinc/34/95/73/364349573.db2.gz JWNHACYRUCMUPE-KGLIPLIRSA-N 1 0 296.323 1.103 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+](CCCCO)C2CC2)c1 ZINC000174865446 364585156 /nfs/dbraw/zinc/58/51/56/364585156.db2.gz PPXYCYWIZRLJKU-UHFFFAOYSA-N 1 0 268.317 1.028 20 5 CDBDRO CNC(=O)CC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000175016054 364610131 /nfs/dbraw/zinc/61/01/31/364610131.db2.gz ADXQDLQPKHDWEO-UHFFFAOYSA-N 1 0 291.351 1.943 20 5 CDBDRO Cc1nc(N2CC[C@@H]([NH+]3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000268432071 364774369 /nfs/dbraw/zinc/77/43/69/364774369.db2.gz BKNFWYMQLNCDLQ-GFCCVEGCSA-N 1 0 274.324 1.749 20 5 CDBDRO C[N@@H+]1CC[C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000545953355 364790843 /nfs/dbraw/zinc/79/08/43/364790843.db2.gz FLEFZPOUJHQBCM-JTQLQIEISA-N 1 0 297.742 1.816 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000128311579 364825066 /nfs/dbraw/zinc/82/50/66/364825066.db2.gz APTARCGUHQZZHB-LLVKDONJSA-N 1 0 292.339 1.217 20 5 CDBDRO O=C1CCN(C[NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000275839770 193144122 /nfs/dbraw/zinc/14/41/22/193144122.db2.gz UOTIZHICMDGQHY-UHFFFAOYSA-N 1 0 277.324 1.349 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCC2CC2)CC1 ZINC000459509500 366909362 /nfs/dbraw/zinc/90/93/62/366909362.db2.gz MOUUEADPMGAYEZ-UHFFFAOYSA-N 1 0 276.340 1.912 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CCC[NH3+] ZINC000414649735 241300583 /nfs/dbraw/zinc/30/05/83/241300583.db2.gz CJWDCZHFPFYLJY-VIFPVBQESA-N 1 0 296.327 1.852 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C1CC([NH3+])C1 ZINC000414652234 241302489 /nfs/dbraw/zinc/30/24/89/241302489.db2.gz GSNBZAYDUXMXKP-UHFFFAOYSA-N 1 0 294.311 1.557 20 5 CDBDRO C[NH2+]CCCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000414658302 241304978 /nfs/dbraw/zinc/30/49/78/241304978.db2.gz QHUIMFPQTMAOAT-UHFFFAOYSA-N 1 0 282.300 1.334 20 5 CDBDRO C[NH2+]CCN(C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000414659909 241307171 /nfs/dbraw/zinc/30/71/71/241307171.db2.gz NPZSLTIZIRFIBN-UHFFFAOYSA-N 1 0 266.301 1.586 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[NH3+] ZINC000414667539 241311031 /nfs/dbraw/zinc/31/10/31/241311031.db2.gz YACGNCNVFNOBLD-UHFFFAOYSA-N 1 0 252.274 1.326 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000161112148 367122731 /nfs/dbraw/zinc/12/27/31/367122731.db2.gz QQIOBUJHWGJKHA-VHSXEESVSA-N 1 0 281.287 1.734 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCOCCO)C2CC2)cc1 ZINC000130582561 367565179 /nfs/dbraw/zinc/56/51/79/367565179.db2.gz YIXQGVXWEZNFLP-UHFFFAOYSA-N 1 0 280.324 1.568 20 5 CDBDRO C[C@H](NC(=O)N[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000417136942 242332662 /nfs/dbraw/zinc/33/26/62/242332662.db2.gz LQHLGDHXZGTONQ-GXSJLCMTSA-N 1 0 278.312 1.317 20 5 CDBDRO CC[N@@H+]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272399104 367720729 /nfs/dbraw/zinc/72/07/29/367720729.db2.gz HNTUKDUHSLTQJB-UHFFFAOYSA-N 1 0 292.339 1.345 20 5 CDBDRO Cc1cnc(N[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000090692244 367777395 /nfs/dbraw/zinc/77/73/95/367777395.db2.gz SWXBAUPOHFXYLH-JTQLQIEISA-N 1 0 262.313 1.947 20 5 CDBDRO C[C@@H]1C[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090795050 368132486 /nfs/dbraw/zinc/13/24/86/368132486.db2.gz OGKMFMVZYHMRHL-MWLCHTKSSA-N 1 0 292.339 1.588 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000418705537 243357330 /nfs/dbraw/zinc/35/73/30/243357330.db2.gz DUFHACDKMAGRCH-GFCCVEGCSA-N 1 0 294.355 1.516 20 5 CDBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330660681 203089509 /nfs/dbraw/zinc/08/95/09/203089509.db2.gz QYONVYIAOVNYRB-WZRBSPASSA-N 1 0 282.344 1.415 20 5 CDBDRO C[C@H]1C[N@H+](C)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000330660785 203090237 /nfs/dbraw/zinc/09/02/37/203090237.db2.gz BQDNZPMTQTUKGS-JTQLQIEISA-N 1 0 292.339 1.614 20 5 CDBDRO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000420336212 244103495 /nfs/dbraw/zinc/10/34/95/244103495.db2.gz LSVCLJVSIXDMQI-LLVKDONJSA-N 1 0 265.313 1.267 20 5 CDBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330828117 203285797 /nfs/dbraw/zinc/28/57/97/203285797.db2.gz WSJKXMBKQOVBRA-JTQLQIEISA-N 1 0 280.328 1.337 20 5 CDBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C ZINC000037668644 369785043 /nfs/dbraw/zinc/78/50/43/369785043.db2.gz ZFCZSNULTPOBRZ-SNVBAGLBSA-N 1 0 279.340 1.988 20 5 CDBDRO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000295413159 370196704 /nfs/dbraw/zinc/19/67/04/370196704.db2.gz SNDUYKGLZQJIFW-GXFFZTMASA-N 1 0 277.324 1.866 20 5 CDBDRO C[NH+](C)C1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000121779009 370447095 /nfs/dbraw/zinc/44/70/95/370447095.db2.gz LFWGFSLPVDFUCG-UHFFFAOYSA-N 1 0 264.285 1.373 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CNCC(F)(F)CN ZINC000414928081 371107261 /nfs/dbraw/zinc/10/72/61/371107261.db2.gz LVWDIRSMKPYCHF-UHFFFAOYSA-N 1 0 289.282 1.677 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000422864362 245350090 /nfs/dbraw/zinc/35/00/90/245350090.db2.gz UUVUCEQWXPKYBA-GFCCVEGCSA-N 1 0 277.324 1.679 20 5 CDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000368198844 371906889 /nfs/dbraw/zinc/90/68/89/371906889.db2.gz DEIDLRKHYUZVBB-UWVGGRQHSA-N 1 0 267.260 1.025 20 5 CDBDRO Cc1cc(C(=O)NCCC[NH2+]C2CC2)ccc1[N+](=O)[O-] ZINC000036263103 373891927 /nfs/dbraw/zinc/89/19/27/373891927.db2.gz WVGSGQXEXBBQCM-UHFFFAOYSA-N 1 0 277.324 1.775 20 5 CDBDRO Cc1occc1C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266561779 373989325 /nfs/dbraw/zinc/98/93/25/373989325.db2.gz JQFVOALSKBRSSG-CYBMUJFWSA-N 1 0 294.311 1.186 20 5 CDBDRO CCc1nn(C)c(N2CCC[C@@H]([NH2+]C)C2)c1[N+](=O)[O-] ZINC000091560685 374038418 /nfs/dbraw/zinc/03/84/18/374038418.db2.gz LQPDOZDWVLFWOE-SECBINFHSA-N 1 0 267.333 1.079 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)C[NH+]1CCCCC1 ZINC000298973566 374280156 /nfs/dbraw/zinc/28/01/56/374280156.db2.gz LTSXVVLHJUHDDY-NSHDSACASA-N 1 0 294.355 1.775 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000312148754 374278107 /nfs/dbraw/zinc/27/81/07/374278107.db2.gz BDKHZWVRAJBDHN-FOQNGQEVSA-N 1 0 275.308 1.428 20 5 CDBDRO Cc1nc(N[C@@H]2CCC[C@@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000420201407 374292512 /nfs/dbraw/zinc/29/25/12/374292512.db2.gz ONUGYHJYJYQGTM-RKDXNWHRSA-N 1 0 251.290 1.233 20 5 CDBDRO Nc1c(C(=O)N[C@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000368720427 374325945 /nfs/dbraw/zinc/32/59/45/374325945.db2.gz YHWJPKRFAPDEOU-VIFPVBQESA-N 1 0 278.312 1.049 20 5 CDBDRO CC[N@@H+]1CCC[C@H](CNc2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000114709082 374346519 /nfs/dbraw/zinc/34/65/19/374346519.db2.gz RSSTXZBGXPLQNS-LLVKDONJSA-N 1 0 281.360 1.781 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[NH2+]C ZINC000423646750 374392269 /nfs/dbraw/zinc/39/22/69/374392269.db2.gz ZPXKNHJNYXUOCH-VIFPVBQESA-N 1 0 281.312 1.331 20 5 CDBDRO C[C@@H]([NH3+])CCC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423838828 246132088 /nfs/dbraw/zinc/13/20/88/246132088.db2.gz HNBSWKWDWCMYLU-MRVPVSSYSA-N 1 0 285.731 1.992 20 5 CDBDRO Cc1ccc([C@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000423433099 374381917 /nfs/dbraw/zinc/38/19/17/374381917.db2.gz MVQQIHAJLCYOCQ-PQFRYHKHSA-N 1 0 261.325 1.772 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000424289757 374406830 /nfs/dbraw/zinc/40/68/30/374406830.db2.gz CCQLMDBUSWFKCU-GHMZBOCLSA-N 1 0 292.339 1.393 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000424038924 246303083 /nfs/dbraw/zinc/30/30/83/246303083.db2.gz ZCWFPPHJQCHSMB-UHFFFAOYSA-N 1 0 294.355 1.099 20 5 CDBDRO CCOc1cc(CN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000276872617 374755159 /nfs/dbraw/zinc/75/51/59/374755159.db2.gz HTNDTQAHYZYCHG-UHFFFAOYSA-N 1 0 279.340 1.741 20 5 CDBDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000449452687 374810657 /nfs/dbraw/zinc/81/06/57/374810657.db2.gz GOESELMNBHZCOV-MNOVXSKESA-N 1 0 286.353 1.797 20 5 CDBDRO Cc1cc(C(=O)N[C@@H](CC[NH3+])C(F)F)ccc1[N+](=O)[O-] ZINC000383431425 374955768 /nfs/dbraw/zinc/95/57/68/374955768.db2.gz CLPIPDPIXFDFFN-VIFPVBQESA-N 1 0 287.266 1.616 20 5 CDBDRO Cc1cccc(C(=O)NCC[N@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000279759084 374958451 /nfs/dbraw/zinc/95/84/51/374958451.db2.gz AGVRVEKHTJUAKD-UHFFFAOYSA-N 1 0 289.335 1.895 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)cs1 ZINC000280382617 374994391 /nfs/dbraw/zinc/99/43/91/374994391.db2.gz VVTYFQMVCPUXEO-WDEREUQCSA-N 1 0 286.353 1.391 20 5 CDBDRO C[S@](=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000282222268 375074288 /nfs/dbraw/zinc/07/42/88/375074288.db2.gz DZQDFWZJGAQBOO-SFHVURJKSA-N 1 0 268.338 1.596 20 5 CDBDRO CO[C@@H](C)CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332725217 375046976 /nfs/dbraw/zinc/04/69/76/375046976.db2.gz TVUZSXKGDKNQIU-VIFPVBQESA-N 1 0 251.286 1.383 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000162040386 375262060 /nfs/dbraw/zinc/26/20/60/375262060.db2.gz UMWKDXKIGGTHQK-QWRGUYRKSA-N 1 0 293.323 1.360 20 5 CDBDRO CC1(C)CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000132006746 375394191 /nfs/dbraw/zinc/39/41/91/375394191.db2.gz JWGNKUHVLYSDAV-UHFFFAOYSA-N 1 0 279.340 1.879 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCOCCO ZINC000344799243 375450236 /nfs/dbraw/zinc/45/02/36/375450236.db2.gz SMQFTDWLRZXBEC-JLHYYAGUSA-N 1 0 294.351 1.987 20 5 CDBDRO CC1CC[NH+](CCCNc2c([N+](=O)[O-])ncn2C)CC1 ZINC000029853595 375507010 /nfs/dbraw/zinc/50/70/10/375507010.db2.gz RDOALNVCOUVJGG-UHFFFAOYSA-N 1 0 281.360 1.862 20 5 CDBDRO CCC[C@@](C)([NH3+])C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000353084641 375573931 /nfs/dbraw/zinc/57/39/31/375573931.db2.gz GFRBVPWHYFLFDM-CQSZACIVSA-N 1 0 294.355 1.640 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426456719 247027640 /nfs/dbraw/zinc/02/76/40/247027640.db2.gz WJNOHIBICUXODZ-YPMHNXCESA-N 1 0 277.324 1.631 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H]3CCC[C@@H]32)c1 ZINC000426459234 247028699 /nfs/dbraw/zinc/02/86/99/247028699.db2.gz JVHADCJECVPPSH-PWSUYJOCSA-N 1 0 250.302 1.666 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]CC3(O)CCC3)nc2c1 ZINC000564076409 375708231 /nfs/dbraw/zinc/70/82/31/375708231.db2.gz NEFJJOUQNKPZBW-UHFFFAOYSA-N 1 0 276.296 1.476 20 5 CDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000058926254 375841513 /nfs/dbraw/zinc/84/15/13/375841513.db2.gz YUQBWJYVTTXFBD-GFCCVEGCSA-N 1 0 291.351 1.975 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000357236894 375892534 /nfs/dbraw/zinc/89/25/34/375892534.db2.gz VFRUSDMLDDWFIK-JTQLQIEISA-N 1 0 294.355 1.836 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000357407154 375904180 /nfs/dbraw/zinc/90/41/80/375904180.db2.gz DYAPPCJGXUHVGK-JOYOIKCWSA-N 1 0 295.314 1.946 20 5 CDBDRO C[NH+](C)CCN(C(=O)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000356877612 375866122 /nfs/dbraw/zinc/86/61/22/375866122.db2.gz DWXXCNQFSYQDAC-UHFFFAOYSA-N 1 0 291.351 1.690 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134248990 375941287 /nfs/dbraw/zinc/94/12/87/375941287.db2.gz UQGBVORMUKGVCM-LLVKDONJSA-N 1 0 295.314 1.900 20 5 CDBDRO CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000058233429 376027036 /nfs/dbraw/zinc/02/70/36/376027036.db2.gz FVHWKMRKQZSEPI-WXJAXGNASA-N 1 0 275.308 1.428 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCN(C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000435239891 248160523 /nfs/dbraw/zinc/16/05/23/248160523.db2.gz YCLLQYRFNOXKAV-CQSZACIVSA-N 1 0 291.351 1.800 20 5 CDBDRO C[C@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000171925472 377173564 /nfs/dbraw/zinc/17/35/64/377173564.db2.gz YIBLVZIHIXDDNF-NSHDSACASA-N 1 0 265.313 1.098 20 5 CDBDRO Cc1c(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cccc1[N+](=O)[O-] ZINC000189304911 377229060 /nfs/dbraw/zinc/22/90/60/377229060.db2.gz GSIWWMITWKMJQN-PWSUYJOCSA-N 1 0 277.324 1.774 20 5 CDBDRO CC(C)C[NH+](CC(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075622412 377850788 /nfs/dbraw/zinc/85/07/88/377850788.db2.gz ZAHWHKVBVYFGLB-AWEZNQCLSA-N 1 0 298.387 1.766 20 5 CDBDRO CCS(=O)(=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173380514 378290410 /nfs/dbraw/zinc/29/04/10/378290410.db2.gz MTAUVCMLNYRCSV-SNVBAGLBSA-N 1 0 286.353 1.680 20 5 CDBDRO CC[N@H+](C)CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000278510630 194019087 /nfs/dbraw/zinc/01/90/87/194019087.db2.gz YDZOFJCHMZDSKX-UHFFFAOYSA-N 1 0 264.329 1.926 20 5 CDBDRO COCC(C)(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444620478 250154131 /nfs/dbraw/zinc/15/41/31/250154131.db2.gz OBENMUAISFJVMJ-UHFFFAOYSA-N 1 0 278.312 1.986 20 5 CDBDRO O=[N+]([O-])c1ccc(CSCCN2CC[NH2+]CC2)cc1 ZINC001580874550 1172556689 /nfs/dbraw/zinc/55/66/89/1172556689.db2.gz AMSXSYSTMVIBJA-UHFFFAOYSA-N 1 0 281.381 1.733 20 5 CDBDRO CCC[N@H+](CC)CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000174641293 379548430 /nfs/dbraw/zinc/54/84/30/379548430.db2.gz MYTLOOHPRHZALQ-UHFFFAOYSA-N 1 0 269.301 1.650 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000449636974 250944277 /nfs/dbraw/zinc/94/42/77/250944277.db2.gz FPZAVUZLNQOFAO-ZYHUDNBSSA-N 1 0 277.324 1.842 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](O)C1 ZINC000449748284 250998009 /nfs/dbraw/zinc/99/80/09/250998009.db2.gz BEBMMEGMIIFTTF-JLLWLGSASA-N 1 0 250.298 1.639 20 5 CDBDRO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000451589764 251762359 /nfs/dbraw/zinc/76/23/59/251762359.db2.gz ASYPCQXCDCAFDT-YPMHNXCESA-N 1 0 298.387 1.707 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000289933833 197534083 /nfs/dbraw/zinc/53/40/83/197534083.db2.gz LCUIRJATDIDAQE-QWHCGFSZSA-N 1 0 291.351 1.642 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493207091 253399782 /nfs/dbraw/zinc/39/97/82/253399782.db2.gz NSRPEXHSJVKENX-KTLBGCOUSA-N 1 0 293.298 1.567 20 5 CDBDRO COCC[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000282128260 285134501 /nfs/dbraw/zinc/13/45/01/285134501.db2.gz GBUCBSAHFSSVTM-NSHDSACASA-N 1 0 254.286 1.082 20 5 CDBDRO Cc1nc(N[C@H](CO)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000289172596 197252976 /nfs/dbraw/zinc/25/29/76/197252976.db2.gz RBRSLIMYYRFDFH-LBPRGKRZSA-N 1 0 294.355 1.557 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NC[C@@H]2CCC[NH2+]2)n1 ZINC000423235890 285168152 /nfs/dbraw/zinc/16/81/52/285168152.db2.gz NMKCDOGHAXGPAN-RWMBFGLXSA-N 1 0 293.371 1.617 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC([C@H]3CCC[NH2+]3)CC2)nc1 ZINC000063201345 285172320 /nfs/dbraw/zinc/17/23/20/285172320.db2.gz ZQNNGXIDVDPWJQ-GFCCVEGCSA-N 1 0 277.328 1.353 20 5 CDBDRO CC[N@@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000288268527 197039820 /nfs/dbraw/zinc/03/98/20/197039820.db2.gz FURAXJWNDLJSSK-LBPRGKRZSA-N 1 0 291.351 1.690 20 5 CDBDRO CO[C@@H](C)C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000285879438 390186360 /nfs/dbraw/zinc/18/63/60/390186360.db2.gz YOKWPTXCYLXMPQ-NSHDSACASA-N 1 0 268.313 1.940 20 5 CDBDRO COc1ccc(C[NH2+]C[C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599007674 390320211 /nfs/dbraw/zinc/32/02/11/390320211.db2.gz SOJXISNZUZJJDR-PHIMTYICSA-N 1 0 266.297 1.464 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000261546416 390471527 /nfs/dbraw/zinc/47/15/27/390471527.db2.gz VSGJPLDJOBWOMQ-QMMMGPOBSA-N 1 0 255.274 1.291 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451627579 390636052 /nfs/dbraw/zinc/63/60/52/390636052.db2.gz NOPKAJQUGYHBHW-SMDDNHRTSA-N 1 0 291.351 1.739 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H](F)C2)c1 ZINC000451192308 390604600 /nfs/dbraw/zinc/60/46/00/390604600.db2.gz SLDCTNVCLPCLLT-JQWIXIFHSA-N 1 0 284.287 1.378 20 5 CDBDRO O=C(CC[N@@H+]1CC[C@@H](F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451203704 390604949 /nfs/dbraw/zinc/60/49/49/390604949.db2.gz ZYUMABAHLHXSMU-SNVBAGLBSA-N 1 0 281.287 1.967 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCN(C)C1 ZINC000449243589 390821895 /nfs/dbraw/zinc/82/18/95/390821895.db2.gz LWHCOSQRDKBWLE-SWLSCSKDSA-N 1 0 293.367 1.182 20 5 CDBDRO Cc1cnc(N2CC[N@@H+](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000361262716 390833769 /nfs/dbraw/zinc/83/37/69/390833769.db2.gz OQMYRKOFFVLPJV-NSHDSACASA-N 1 0 264.329 1.829 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](CC)C[C@H]1C ZINC000340872481 390946561 /nfs/dbraw/zinc/94/65/61/390946561.db2.gz ISUNQHXDSOSRCZ-SNVBAGLBSA-N 1 0 281.360 1.650 20 5 CDBDRO C[C@@H]1[N@H+](CCn2cc([N+](=O)[O-])cn2)CCC12CCOCC2 ZINC000363792653 390946919 /nfs/dbraw/zinc/94/69/19/390946919.db2.gz FZNYSOHGQQTQQF-LBPRGKRZSA-N 1 0 294.355 1.682 20 5 CDBDRO COC[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000452037375 390981588 /nfs/dbraw/zinc/98/15/88/390981588.db2.gz LGEKYGVRVUZIRE-NSHDSACASA-N 1 0 268.317 1.292 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000452111208 391043566 /nfs/dbraw/zinc/04/35/66/391043566.db2.gz BUONLBFUVQEKHV-GFCCVEGCSA-N 1 0 281.360 1.206 20 5 CDBDRO CCO[C@H]1C[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000574144006 391064413 /nfs/dbraw/zinc/06/44/13/391064413.db2.gz LEGNXVHMVAZDTE-MFKMUULPSA-N 1 0 266.297 1.870 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC1C[NH2+]C1 ZINC000415573365 391467082 /nfs/dbraw/zinc/46/70/82/391467082.db2.gz CBHURTUZCQZZSI-UHFFFAOYSA-N 1 0 278.312 1.553 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000415505759 391468586 /nfs/dbraw/zinc/46/85/86/391468586.db2.gz QMQQYMYDWRADOM-NSHDSACASA-N 1 0 294.311 1.462 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415637138 391470102 /nfs/dbraw/zinc/47/01/02/391470102.db2.gz ZAULUHATVMLUJX-SSDOTTSWSA-N 1 0 270.264 1.450 20 5 CDBDRO C[C@@H]1[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343480456 391634139 /nfs/dbraw/zinc/63/41/39/391634139.db2.gz RHZVHTGSZSBHMZ-MWLCHTKSSA-N 1 0 292.339 1.588 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000192636311 391724322 /nfs/dbraw/zinc/72/43/22/391724322.db2.gz AEHBAKZGGUHOAI-LBPRGKRZSA-N 1 0 295.387 1.898 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000120152215 391771390 /nfs/dbraw/zinc/77/13/90/391771390.db2.gz OSRIPOFCOHTAQV-VIFPVBQESA-N 1 0 267.260 1.216 20 5 CDBDRO C[C@H](O)C[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000264322026 391825482 /nfs/dbraw/zinc/82/54/82/391825482.db2.gz KNEGWFOQTQBQFS-RYUDHWBXSA-N 1 0 279.340 1.486 20 5 CDBDRO COc1ccc(C[NH2+]CC2(CO)CCC2)cc1[N+](=O)[O-] ZINC000184369833 391975637 /nfs/dbraw/zinc/97/56/37/391975637.db2.gz PXEYGZGRUAMPIR-UHFFFAOYSA-N 1 0 280.324 1.856 20 5 CDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1C[NH2+]CCC1(F)F ZINC000591674142 391981184 /nfs/dbraw/zinc/98/11/84/391981184.db2.gz ICFJBOLLTFZLEK-SNVBAGLBSA-N 1 0 299.277 1.456 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000235392332 130949018 /nfs/dbraw/zinc/94/90/18/130949018.db2.gz XFWJVDKTDQSZNF-KOLCDFICSA-N 1 0 263.297 1.465 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000238030287 131073862 /nfs/dbraw/zinc/07/38/62/131073862.db2.gz CQVVMWATLAPMIO-WDEREUQCSA-N 1 0 293.323 1.217 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261690655 131162493 /nfs/dbraw/zinc/16/24/93/131162493.db2.gz NGJDMLSMXUXLDA-GXTWGEPZSA-N 1 0 289.335 1.348 20 5 CDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C[NH3+] ZINC000262555622 131232680 /nfs/dbraw/zinc/23/26/80/131232680.db2.gz XKSFWXGRWYKQNW-SECBINFHSA-N 1 0 297.380 1.929 20 5 CDBDRO Nc1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000262604212 131240222 /nfs/dbraw/zinc/24/02/22/131240222.db2.gz ARASBPXHWNPLKY-GXSJLCMTSA-N 1 0 278.312 1.034 20 5 CDBDRO CC[NH+]1C[C@@H](C)N(CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000459459013 392440406 /nfs/dbraw/zinc/44/04/06/392440406.db2.gz HRJVHYQBNIVBJK-VXGBXAGGSA-N 1 0 281.360 1.206 20 5 CDBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000419007644 392883845 /nfs/dbraw/zinc/88/38/45/392883845.db2.gz JYSVNMMYSXLXOE-UHFFFAOYSA-N 1 0 268.292 1.822 20 5 CDBDRO Cc1nc(N2CCC[C@@H](CC[NH3+])C2)ncc1[N+](=O)[O-] ZINC000420238259 392912271 /nfs/dbraw/zinc/91/22/71/392912271.db2.gz HIXMMXAZJIVOOB-JTQLQIEISA-N 1 0 265.317 1.258 20 5 CDBDRO Cc1nc(NC[C@@H]2[NH2+]CCc3ccccc32)ncc1[N+](=O)[O-] ZINC000420259130 392916403 /nfs/dbraw/zinc/91/64/03/392916403.db2.gz YKTOEFURCVXHQC-ZDUSSCGKSA-N 1 0 299.334 1.414 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1C[NH2+]CCN1C ZINC000420264079 392916723 /nfs/dbraw/zinc/91/67/23/392916723.db2.gz CPOYHVZWIQPJJP-LLVKDONJSA-N 1 0 298.774 1.872 20 5 CDBDRO C[NH2+][C@@H](C)Cc1noc(-c2cccc([N+](=O)[O-])c2OC)n1 ZINC000521873795 392870253 /nfs/dbraw/zinc/87/02/53/392870253.db2.gz ONUNQZINEYMMAD-QMMMGPOBSA-N 1 0 292.295 1.804 20 5 CDBDRO C[N@@H+]1CC[C@@H](C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000522242376 392875903 /nfs/dbraw/zinc/87/59/03/392875903.db2.gz FFJBQZPWKASDKM-LLVKDONJSA-N 1 0 263.297 1.163 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000418055153 392876362 /nfs/dbraw/zinc/87/63/62/392876362.db2.gz BCHQNSZPHUXMBH-SNVBAGLBSA-N 1 0 294.355 1.558 20 5 CDBDRO C[NH2+]CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000418322403 392880763 /nfs/dbraw/zinc/88/07/63/392880763.db2.gz DOWFIEFGICQAHD-UHFFFAOYSA-N 1 0 294.355 1.734 20 5 CDBDRO CSCCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000525271182 392926353 /nfs/dbraw/zinc/92/63/53/392926353.db2.gz CVIFRTBUAAGGTI-UHFFFAOYSA-N 1 0 296.396 1.865 20 5 CDBDRO Cc1nc(NCCC[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000268500267 132018252 /nfs/dbraw/zinc/01/82/52/132018252.db2.gz PZWKRKOHRTXLPN-UHFFFAOYSA-N 1 0 294.355 1.557 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000421708125 392942882 /nfs/dbraw/zinc/94/28/82/392942882.db2.gz ZFFRBUQSIKPXMB-AWEZNQCLSA-N 1 0 291.351 1.690 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000422691035 392957136 /nfs/dbraw/zinc/95/71/36/392957136.db2.gz NMQDFGYVXNTGKP-JTQLQIEISA-N 1 0 293.323 1.557 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000429972631 393088472 /nfs/dbraw/zinc/08/84/72/393088472.db2.gz LZVWAFPIRISWSG-GXSJLCMTSA-N 1 0 293.323 1.347 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)[C@H]1CO ZINC000430195099 393090851 /nfs/dbraw/zinc/09/08/51/393090851.db2.gz MYGFTZUEEIVOST-ZWNOBZJWSA-N 1 0 280.324 1.806 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000430213209 393092764 /nfs/dbraw/zinc/09/27/64/393092764.db2.gz SAWZWQVWGBBDAS-ZWNOBZJWSA-N 1 0 280.324 1.806 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430637889 393102855 /nfs/dbraw/zinc/10/28/55/393102855.db2.gz DJCMPINXJCWAHX-ZDUSSCGKSA-N 1 0 293.367 1.905 20 5 CDBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000449744064 393139273 /nfs/dbraw/zinc/13/92/73/393139273.db2.gz DMWMAHDVXLMXHP-KOLCDFICSA-N 1 0 263.297 1.338 20 5 CDBDRO C[NH+](C)CC1(NC(=O)c2cccc([N+](=O)[O-])c2N)CCC1 ZINC000281855533 393159853 /nfs/dbraw/zinc/15/98/53/393159853.db2.gz YKAKIGQHLKXJPQ-UHFFFAOYSA-N 1 0 292.339 1.391 20 5 CDBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000494255604 393229238 /nfs/dbraw/zinc/22/92/38/393229238.db2.gz BVTFMFGHLLNKJR-LKFCYVNXSA-N 1 0 293.323 1.351 20 5 CDBDRO Cc1cc(N[C@H]2CCC[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000092027817 139689059 /nfs/dbraw/zinc/68/90/59/139689059.db2.gz XHDCNGMPMFPEOO-UWVGGRQHSA-N 1 0 250.302 1.838 20 5 CDBDRO [NH3+][C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000129241704 139813739 /nfs/dbraw/zinc/81/37/39/139813739.db2.gz YTIRBTWKZFNIQH-NSHDSACASA-N 1 0 267.260 1.201 20 5 CDBDRO CC[NH2+]CCNc1c(Br)cncc1[N+](=O)[O-] ZINC000233518910 140226453 /nfs/dbraw/zinc/22/64/53/140226453.db2.gz YWKRHWLHHXKKEP-UHFFFAOYSA-N 1 0 289.133 1.774 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000236263709 140240519 /nfs/dbraw/zinc/24/05/19/140240519.db2.gz SVSUYQKHSOUHGD-CYBMUJFWSA-N 1 0 277.324 1.842 20 5 CDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000236776182 140244527 /nfs/dbraw/zinc/24/45/27/140244527.db2.gz WGVVDOUTZGSETN-NSHDSACASA-N 1 0 294.355 1.622 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000261573831 140352776 /nfs/dbraw/zinc/35/27/76/140352776.db2.gz MMAHBDKNXQJGMJ-UFBFGSQYSA-N 1 0 253.277 1.655 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]([NH2+]C)C1 ZINC000261586072 140356739 /nfs/dbraw/zinc/35/67/39/140356739.db2.gz ISOSVUMPMOHQOU-JTQLQIEISA-N 1 0 267.333 1.308 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[C@@H]1CCC[NH2+]C1 ZINC000261728122 140381016 /nfs/dbraw/zinc/38/10/16/140381016.db2.gz KWHINZNXYFQBGT-NSHDSACASA-N 1 0 281.360 1.921 20 5 CDBDRO COc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000261775653 140388041 /nfs/dbraw/zinc/38/80/41/140388041.db2.gz WLNLNCRCTDDACX-AVGNSLFASA-N 1 0 291.351 1.773 20 5 CDBDRO CN(CC(C)(C)C[NH3+])C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000093873417 147069510 /nfs/dbraw/zinc/06/95/10/147069510.db2.gz UMJUKWKNGOTUOA-UHFFFAOYSA-N 1 0 283.303 1.791 20 5 CDBDRO CCCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000352378262 155145535 /nfs/dbraw/zinc/14/55/35/155145535.db2.gz MGCBXLQQJKYCOL-UHFFFAOYSA-N 1 0 282.344 1.395 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000334041753 149305731 /nfs/dbraw/zinc/30/57/31/149305731.db2.gz BKGDHGIAKASCEM-WDEREUQCSA-N 1 0 277.324 1.807 20 5 CDBDRO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CCC[N@@H+]1C ZINC000343449085 152181285 /nfs/dbraw/zinc/18/12/85/152181285.db2.gz OBJMMMQSGGAETI-VHSXEESVSA-N 1 0 280.328 1.146 20 5 CDBDRO Cc1nn(C)c(N[C@@H]2CCC[N@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000343596376 152238255 /nfs/dbraw/zinc/23/82/55/152238255.db2.gz HCACDTPPAHQYGB-VHSXEESVSA-N 1 0 267.333 1.531 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000344041575 152399611 /nfs/dbraw/zinc/39/96/11/152399611.db2.gz WKQZWWAAEGXKHH-SGMGOOAPSA-N 1 0 292.335 1.676 20 5 CDBDRO COc1ccc(C(=O)N[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000346253910 153114151 /nfs/dbraw/zinc/11/41/51/153114151.db2.gz HDBYIMIIUMALRD-SECBINFHSA-N 1 0 281.312 1.283 20 5 CDBDRO CO[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)[C@@H](C[NH3+])C1 ZINC000346814355 153309885 /nfs/dbraw/zinc/30/98/85/153309885.db2.gz AUJNUBFXAQRZHH-CABCVRRESA-N 1 0 293.367 1.841 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000189314187 292283678 /nfs/dbraw/zinc/28/36/78/292283678.db2.gz KYBSZZNJAHWYGD-JQWIXIFHSA-N 1 0 277.324 1.774 20 5 CDBDRO CCN(CC(=O)OC)Cc1ccc([N+](=O)[O-])cc1C ZINC000349960065 154288187 /nfs/dbraw/zinc/28/81/87/154288187.db2.gz ADNIGXPYMNWYIX-UHFFFAOYSA-N 1 0 266.297 1.898 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCN2CCC2)c(F)c1 ZINC000350312016 154362395 /nfs/dbraw/zinc/36/23/95/154362395.db2.gz LLJCYDZJDURSGH-UHFFFAOYSA-N 1 0 253.277 1.529 20 5 CDBDRO COc1cccc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000261848967 286457853 /nfs/dbraw/zinc/45/78/53/286457853.db2.gz WOGXHJZZNUFVKV-MNOVXSKESA-N 1 0 277.324 1.792 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)[C@H](CO)C1 ZINC000362090190 159067112 /nfs/dbraw/zinc/06/71/12/159067112.db2.gz XJSJVJGURDRRNX-JQWIXIFHSA-N 1 0 280.324 1.664 20 5 CDBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000362494187 159160271 /nfs/dbraw/zinc/16/02/71/159160271.db2.gz GXRKZRBTMRIUNV-LLVKDONJSA-N 1 0 294.355 1.631 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000362980689 159282905 /nfs/dbraw/zinc/28/29/05/159282905.db2.gz QUTWWGVKCLBHKQ-NTZNESFSSA-N 1 0 291.351 1.970 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000168703255 292421287 /nfs/dbraw/zinc/42/12/87/292421287.db2.gz WLHPUYVRHUBWLC-MNOVXSKESA-N 1 0 277.324 1.713 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000349915418 286807065 /nfs/dbraw/zinc/80/70/65/286807065.db2.gz MHWUVTMDVUKNKF-NSHDSACASA-N 1 0 294.355 1.640 20 5 CDBDRO C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284897660 196152808 /nfs/dbraw/zinc/15/28/08/196152808.db2.gz CBTMLSOGBYYJHF-NHCYSSNCSA-N 1 0 279.340 1.989 20 5 CDBDRO CCNC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035140726 172008351 /nfs/dbraw/zinc/00/83/51/172008351.db2.gz NWQGOGWFMQZPFT-SECBINFHSA-N 1 0 251.286 1.382 20 5 CDBDRO C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285059706 196187916 /nfs/dbraw/zinc/18/79/16/196187916.db2.gz ITJITVSCMUUVEI-JBLDHEPKSA-N 1 0 277.324 1.765 20 5 CDBDRO C[NH+]1CCN(CCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000037497022 173235502 /nfs/dbraw/zinc/23/55/02/173235502.db2.gz JJJVMCZDRGQMJS-UHFFFAOYSA-N 1 0 264.329 1.254 20 5 CDBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000037872749 173817038 /nfs/dbraw/zinc/81/70/38/173817038.db2.gz FOFPFBJLSHTJDP-RISCZKNCSA-N 1 0 290.323 1.503 20 5 CDBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000040740489 174390532 /nfs/dbraw/zinc/39/05/32/174390532.db2.gz BLLVQYQNTMNNOF-FOSCPWQOSA-N 1 0 275.308 1.608 20 5 CDBDRO C[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000044526409 175191406 /nfs/dbraw/zinc/19/14/06/175191406.db2.gz NWUXDJVVUNGCPU-UHFFFAOYSA-N 1 0 295.314 1.806 20 5 CDBDRO Cc1cccc(C(=O)N2CCC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000044528530 175193327 /nfs/dbraw/zinc/19/33/27/175193327.db2.gz VCZAQUWTNJUSNN-LLVKDONJSA-N 1 0 277.324 1.714 20 5 CDBDRO CCN(c1nc2sccn2c1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000071314404 176120933 /nfs/dbraw/zinc/12/09/33/176120933.db2.gz CGWRUJDLULXLDV-MRVPVSSYSA-N 1 0 281.341 1.492 20 5 CDBDRO CCCN(c1ncccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000071332482 176125563 /nfs/dbraw/zinc/12/55/63/176125563.db2.gz CSHRTGYGAKKLAH-JTQLQIEISA-N 1 0 250.302 1.568 20 5 CDBDRO CNc1ccc(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000517932938 260320460 /nfs/dbraw/zinc/32/04/60/260320460.db2.gz XWAWUUZDLSYBHB-UWVGGRQHSA-N 1 0 292.339 1.459 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000094339881 265238538 /nfs/dbraw/zinc/23/85/38/265238538.db2.gz USTBMTKVFARWFK-VYBLIETJSA-N 1 0 289.335 1.804 20 5 CDBDRO CC[NH+]1CCN([C@@H](C)CNc2ncc([N+](=O)[O-])s2)CC1 ZINC000190316543 270282905 /nfs/dbraw/zinc/28/29/05/270282905.db2.gz OFTKOECNBSTDAG-JTQLQIEISA-N 1 0 299.400 1.489 20 5 CDBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1C[NH3+] ZINC000397419680 270350288 /nfs/dbraw/zinc/35/02/88/270350288.db2.gz YWTOWMSKTRKLHE-BBBLOLIVSA-N 1 0 281.312 1.633 20 5 CDBDRO CCc1nn(C)c(NCC2([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000397915746 270352933 /nfs/dbraw/zinc/35/29/33/270352933.db2.gz IGNLZBAWLUZLMT-UHFFFAOYSA-N 1 0 267.333 1.397 20 5 CDBDRO C[NH+](C)[C@@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])C1CC1 ZINC000420578718 273805592 /nfs/dbraw/zinc/80/55/92/273805592.db2.gz BOZAGNOECNHWJH-LBPRGKRZSA-N 1 0 292.339 1.446 20 5 CDBDRO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C[NH3+])C1CC1 ZINC000160120628 273830781 /nfs/dbraw/zinc/83/07/81/273830781.db2.gz GKCBKWHVBCLMDJ-CYBMUJFWSA-N 1 0 292.339 1.202 20 5 CDBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@H]1[NH+](C)C ZINC000270411796 274182566 /nfs/dbraw/zinc/18/25/66/274182566.db2.gz XPJHRHLQVXKTGG-GHMZBOCLSA-N 1 0 282.369 1.472 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000331616635 274378273 /nfs/dbraw/zinc/37/82/73/274378273.db2.gz PSMSELYXMZWFNW-MWLCHTKSSA-N 1 0 275.308 1.339 20 5 CDBDRO O=C([C@@H]1CCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088251953 275004264 /nfs/dbraw/zinc/00/42/64/275004264.db2.gz UIEQXSFCQAEINF-ZDUSSCGKSA-N 1 0 275.308 1.232 20 5 CDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000359226405 276291053 /nfs/dbraw/zinc/29/10/53/276291053.db2.gz MNDMCKRZERTTGZ-NSHDSACASA-N 1 0 292.339 1.512 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272628263 277144155 /nfs/dbraw/zinc/14/41/55/277144155.db2.gz MVDAFGKHMWGCSU-BXUZGUMPSA-N 1 0 289.335 1.761 20 5 CDBDRO COc1ccc(NC(=O)NCC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000415439189 277913419 /nfs/dbraw/zinc/91/34/19/277913419.db2.gz MPRRSMOKNYDITF-QMMMGPOBSA-N 1 0 282.300 1.462 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000449595077 278315575 /nfs/dbraw/zinc/31/55/75/278315575.db2.gz ZRYCQDHBGLDPRX-SFYZADRCSA-N 1 0 277.280 1.807 20 5 CDBDRO C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272654791 278331433 /nfs/dbraw/zinc/33/14/33/278331433.db2.gz BARRVQWBJMNHRY-LLVKDONJSA-N 1 0 289.335 1.975 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000070177054 278478484 /nfs/dbraw/zinc/47/84/84/278478484.db2.gz SOOYCXWYVBHUOV-PSASIEDQSA-N 1 0 283.353 1.856 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000235315881 278541554 /nfs/dbraw/zinc/54/15/54/278541554.db2.gz VKDSJXHHKYAXGP-MFKMUULPSA-N 1 0 277.324 1.794 20 5 CDBDRO Cc1cccc(C(=O)NC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000053253351 278912055 /nfs/dbraw/zinc/91/20/55/278912055.db2.gz CIISVDJNNZSVCO-SNVBAGLBSA-N 1 0 263.297 1.385 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261605004 278931711 /nfs/dbraw/zinc/93/17/11/278931711.db2.gz CSQVMTRTBSCVPO-RYUDHWBXSA-N 1 0 289.335 1.585 20 5 CDBDRO Cc1ccc(C(=O)NCC(C)(C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000041297094 279143406 /nfs/dbraw/zinc/14/34/06/279143406.db2.gz ROQULBVHVCMILD-UHFFFAOYSA-N 1 0 279.340 1.973 20 5 CDBDRO COc1ccc(C[NH2+]CCCCCO)cc1[N+](=O)[O-] ZINC000083497179 279247622 /nfs/dbraw/zinc/24/76/22/279247622.db2.gz ZXZCLTSKMWOOJI-UHFFFAOYSA-N 1 0 268.313 1.856 20 5 CDBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552250 279279278 /nfs/dbraw/zinc/27/92/78/279279278.db2.gz PEMANKMWDIZWRS-PHIMTYICSA-N 1 0 265.313 1.629 20 5 CDBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1ccccc1[N+](=O)[O-] ZINC000111829208 279325865 /nfs/dbraw/zinc/32/58/65/279325865.db2.gz MCXHFGPCLSUFEK-SNVBAGLBSA-N 1 0 265.313 1.698 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217361596 279385629 /nfs/dbraw/zinc/38/56/29/279385629.db2.gz WMFBHWQZAYYNMT-UWVGGRQHSA-N 1 0 265.317 1.367 20 5 CDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[NH2+]1 ZINC000211390196 280085259 /nfs/dbraw/zinc/08/52/59/280085259.db2.gz QLZFOTQCAMRCSX-VVEJJEBESA-N 1 0 275.308 1.476 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000235343789 280126727 /nfs/dbraw/zinc/12/67/27/280126727.db2.gz RTUKUJKRULXFHF-GHHAPQSHSA-N 1 0 275.308 1.414 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000237167400 280162110 /nfs/dbraw/zinc/16/21/10/280162110.db2.gz QUJDBPVPEQIZTM-VIFPVBQESA-N 1 0 281.312 1.189 20 5 CDBDRO C[C@@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000420624535 288255253 /nfs/dbraw/zinc/25/52/53/288255253.db2.gz HGNIKFNZUWNZKV-AOOOYVTPSA-N 1 0 292.339 1.223 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261599391 280664793 /nfs/dbraw/zinc/66/47/93/280664793.db2.gz PNTXMNJBKFQZIB-MNOVXSKESA-N 1 0 262.313 1.344 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000422691036 280746770 /nfs/dbraw/zinc/74/67/70/280746770.db2.gz NMQDFGYVXNTGKP-SNVBAGLBSA-N 1 0 293.323 1.557 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261576776 281013441 /nfs/dbraw/zinc/01/34/41/281013441.db2.gz CFSQXEHCYSSWSU-VXGBXAGGSA-N 1 0 261.325 1.949 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC000459697215 281022673 /nfs/dbraw/zinc/02/26/73/281022673.db2.gz YIYHTFIFBJFKGK-MISXGVKJSA-N 1 0 280.324 1.249 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOCCO ZINC000159137141 289326841 /nfs/dbraw/zinc/32/68/41/289326841.db2.gz VMJFNHDBXGVZPA-LLVKDONJSA-N 1 0 268.313 1.563 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccccc1[N+](=O)[O-] ZINC000311278494 289424572 /nfs/dbraw/zinc/42/45/72/289424572.db2.gz PMMBIXKNOGFMRX-NSHDSACASA-N 1 0 265.313 1.698 20 5 CDBDRO C[C@H](O)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000351514015 290074552 /nfs/dbraw/zinc/07/45/52/290074552.db2.gz ARNBLKLPTWFRTH-SDDRHHMPSA-N 1 0 282.344 1.636 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000557920364 290373741 /nfs/dbraw/zinc/37/37/41/290373741.db2.gz UHLQLGLNOHTOHN-CYBMUJFWSA-N 1 0 291.351 1.690 20 5 CDBDRO COc1cc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000320130845 292929645 /nfs/dbraw/zinc/92/96/45/292929645.db2.gz QXEXBWGSZUKJDZ-RKDXNWHRSA-N 1 0 281.312 1.459 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000568627114 294071228 /nfs/dbraw/zinc/07/12/28/294071228.db2.gz YJUAOCYYCBYZMT-UHFFFAOYSA-N 1 0 267.285 1.030 20 5 CDBDRO COCC[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569109603 294158801 /nfs/dbraw/zinc/15/88/01/294158801.db2.gz AKBVRJODQHQODY-NWDGAFQWSA-N 1 0 298.339 1.349 20 5 CDBDRO Cc1cc(N2CCC3(CC[NH2+]C3)CC2)ncc1[N+](=O)[O-] ZINC000570943964 294340243 /nfs/dbraw/zinc/34/02/43/294340243.db2.gz GJZMOCSSIMBKBR-UHFFFAOYSA-N 1 0 276.340 1.878 20 5 CDBDRO COC[C@@H](C)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572511697 294638289 /nfs/dbraw/zinc/63/82/89/294638289.db2.gz MJFUEFVLLZNFFK-NWDGAFQWSA-N 1 0 298.339 1.207 20 5 CDBDRO CO[C@H](C[NH3+])C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000574210040 294965481 /nfs/dbraw/zinc/96/54/81/294965481.db2.gz LNFDMGLJFBOPOG-CYBMUJFWSA-N 1 0 293.323 1.060 20 5 CDBDRO C[C@@H]([NH2+]C1CC1)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000574877393 295067958 /nfs/dbraw/zinc/06/79/58/295067958.db2.gz IRSFCWBHZVKWJT-SECBINFHSA-N 1 0 290.323 1.015 20 5 CDBDRO C[C@]1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000566098310 316474695 /nfs/dbraw/zinc/47/46/95/316474695.db2.gz ZJOSLQUYVRZLCN-AWEZNQCLSA-N 1 0 293.323 1.089 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)CCC[NH3+] ZINC000570028287 316895136 /nfs/dbraw/zinc/89/51/36/316895136.db2.gz FFGZBGBTQCLNCF-UHFFFAOYSA-N 1 0 296.327 1.094 20 5 CDBDRO O=C(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])NCC1CC1 ZINC000575934173 317043756 /nfs/dbraw/zinc/04/37/56/317043756.db2.gz FNVWMENYYQAJTB-ZDUSSCGKSA-N 1 0 289.335 1.698 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180765495 323218392 /nfs/dbraw/zinc/21/83/92/323218392.db2.gz XZFUPNOHXYHNFO-SNVBAGLBSA-N 1 0 292.339 1.249 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000382446139 323640859 /nfs/dbraw/zinc/64/08/59/323640859.db2.gz JGKZIPBZKOFXSS-RYUDHWBXSA-N 1 0 277.324 1.381 20 5 CDBDRO [NH3+]CC[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])C(F)F ZINC000383529169 323670370 /nfs/dbraw/zinc/67/03/70/323670370.db2.gz YKGUSZCWVKZFTF-QMMMGPOBSA-N 1 0 291.229 1.446 20 5 CDBDRO CN(C(=O)c1csc([N+](=O)[O-])c1)C1(C[NH3+])CCC1 ZINC000385147617 323701042 /nfs/dbraw/zinc/70/10/42/323701042.db2.gz CNLMSKLIXSBIJR-UHFFFAOYSA-N 1 0 269.326 1.610 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000387512901 323770475 /nfs/dbraw/zinc/77/04/75/323770475.db2.gz FYLGIPBFRQQYBA-SNVBAGLBSA-N 1 0 265.313 1.631 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000389942839 323814545 /nfs/dbraw/zinc/81/45/45/323814545.db2.gz CEVONXDOQDEDEV-LBPRGKRZSA-N 1 0 293.323 1.012 20 5 CDBDRO CC1(C)[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1O ZINC000580090055 324367149 /nfs/dbraw/zinc/36/71/49/324367149.db2.gz JUGBVXJOOCWGOK-NEPJUHHUSA-N 1 0 290.323 1.720 20 5 CDBDRO CC[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000583747878 325232654 /nfs/dbraw/zinc/23/26/54/325232654.db2.gz IJKKDPXFIVTBGR-MBNYWOFBSA-N 1 0 294.351 1.970 20 5 CDBDRO COC(=O)CC(C)(C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC001116354560 1161417581 /nfs/dbraw/zinc/41/75/81/1161417581.db2.gz KANPZKQFOSBCQE-UHFFFAOYSA-N 1 0 284.316 1.065 20 5 CDBDRO CC(C)(C)[C@H](CCO)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000183680783 518955820 /nfs/dbraw/zinc/95/58/20/518955820.db2.gz MYOUPRGJXHHAOV-JTQLQIEISA-N 1 0 270.333 1.178 20 5 CDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000050708754 519793398 /nfs/dbraw/zinc/79/33/98/519793398.db2.gz GAULFXHUPLROBM-CYBMUJFWSA-N 1 0 294.355 1.493 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000236741116 521649960 /nfs/dbraw/zinc/64/99/60/521649960.db2.gz UQQFBMCCAYEPGV-UHFFFAOYSA-N 1 0 297.359 1.160 20 5 CDBDRO CC[C@H](C)[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000183092332 521819635 /nfs/dbraw/zinc/81/96/35/521819635.db2.gz XOYJWTISAJOIAA-WDEREUQCSA-N 1 0 267.329 1.781 20 5 CDBDRO COc1ccc(C[NH2+]C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000019998311 524071962 /nfs/dbraw/zinc/07/19/62/524071962.db2.gz HMZMQNHLXSDFNG-LLVKDONJSA-N 1 0 266.297 1.872 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH3+])C1 ZINC000050242855 525457223 /nfs/dbraw/zinc/45/72/23/525457223.db2.gz UTWXDYBFSMAKPX-SNVBAGLBSA-N 1 0 251.286 1.136 20 5 CDBDRO Cc1c(C[NH2+][C@@H](C)CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000049504669 525727888 /nfs/dbraw/zinc/72/78/88/525727888.db2.gz VYTLFBQEBXGZGI-LBPRGKRZSA-N 1 0 293.367 1.714 20 5 CDBDRO Cc1nc(N2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000163986183 526972140 /nfs/dbraw/zinc/97/21/40/526972140.db2.gz ZQFGUNZKQGELKE-MWLCHTKSSA-N 1 0 264.329 1.719 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000226781340 527210863 /nfs/dbraw/zinc/21/08/63/527210863.db2.gz YAZDNHQLBTTXEL-JGVFFNPUSA-N 1 0 256.331 1.981 20 5 CDBDRO Cn1cc(C[NH2+]CCCO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067697297 527217087 /nfs/dbraw/zinc/21/70/87/527217087.db2.gz MCNSFLYVFOMFNB-UHFFFAOYSA-N 1 0 290.323 1.467 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]1 ZINC000053253680 527294657 /nfs/dbraw/zinc/29/46/57/527294657.db2.gz JORDIJMGGCASJW-NSHDSACASA-N 1 0 263.297 1.006 20 5 CDBDRO Nc1c(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cccc1[N+](=O)[O-] ZINC000365244562 527425272 /nfs/dbraw/zinc/42/52/72/527425272.db2.gz JUMHJYTZYCSWPH-MWLCHTKSSA-N 1 0 290.323 1.001 20 5 CDBDRO Cn1nccc1CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000338544866 527605890 /nfs/dbraw/zinc/60/58/90/527605890.db2.gz VHZRNQVHBIEXCJ-UHFFFAOYSA-N 1 0 286.335 1.929 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417125674 535074330 /nfs/dbraw/zinc/07/43/30/535074330.db2.gz BMRZIQNDBTZFBL-ZWNOBZJWSA-N 1 0 294.355 1.938 20 5 CDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C)C[NH3+] ZINC000262202157 535093831 /nfs/dbraw/zinc/09/38/31/535093831.db2.gz NFAYZJPNZLHUJR-NSHDSACASA-N 1 0 279.340 1.927 20 5 CDBDRO CC1(NC(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000189331645 535186329 /nfs/dbraw/zinc/18/63/29/535186329.db2.gz NALYYHHUAJDSRJ-UHFFFAOYSA-N 1 0 263.297 1.467 20 5 CDBDRO CC[NH+](CC)C[C@H](C)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420584363 535590586 /nfs/dbraw/zinc/59/05/86/535590586.db2.gz MSFFMISQZOLZQE-JTQLQIEISA-N 1 0 294.355 1.836 20 5 CDBDRO CCc1nn(C)c(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000091559870 536182257 /nfs/dbraw/zinc/18/22/57/536182257.db2.gz MASNUNLULSBQRD-VXGBXAGGSA-N 1 0 293.371 1.929 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000414668045 536372289 /nfs/dbraw/zinc/37/22/89/536372289.db2.gz YMRBNSPARHPGAL-LLVKDONJSA-N 1 0 278.312 1.729 20 5 CDBDRO C[NH2+][C@@H]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000430621561 536375122 /nfs/dbraw/zinc/37/51/22/536375122.db2.gz DPGJTWOKEXQTEP-LLVKDONJSA-N 1 0 292.339 1.135 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423729753 536461560 /nfs/dbraw/zinc/46/15/60/536461560.db2.gz VOFVKHSCLOWYFO-NSHDSACASA-N 1 0 291.351 1.941 20 5 CDBDRO C[NH2+]C[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000261584987 536468337 /nfs/dbraw/zinc/46/83/37/536468337.db2.gz STFMCWVKNQUWJB-SECBINFHSA-N 1 0 253.277 1.780 20 5 CDBDRO CC[N@H+](C[C@@H]1CCOC1)Cn1cc([N+](=O)[O-])cn1 ZINC000738081506 574587711 /nfs/dbraw/zinc/58/77/11/574587711.db2.gz LJFDZWKBMVYIGK-JTQLQIEISA-N 1 0 254.290 1.107 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](C)[NH+](C)C)CC2 ZINC000773997261 575847504 /nfs/dbraw/zinc/84/75/04/575847504.db2.gz QCIFYAOXVDXHLS-JTQLQIEISA-N 1 0 277.324 1.742 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2ccccn2)c1 ZINC000749646910 576956695 /nfs/dbraw/zinc/95/66/95/576956695.db2.gz NLDKKUYBYBWAFW-HNNXBMFYSA-N 1 0 287.319 1.856 20 5 CDBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000750066136 576974528 /nfs/dbraw/zinc/97/45/28/576974528.db2.gz GMCYAOSQVAGDSX-QWHCGFSZSA-N 1 0 266.297 1.349 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](c2ccccn2)C2CC2)c1 ZINC000932377039 617233285 /nfs/dbraw/zinc/23/32/85/617233285.db2.gz GUBTZJHPJFAVBQ-CQSZACIVSA-N 1 0 287.323 1.927 20 5 CDBDRO C[C@@H]1COC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000932495556 617316706 /nfs/dbraw/zinc/31/67/06/617316706.db2.gz CIHWXJVOYYUBQK-LDYMZIIASA-N 1 0 277.280 1.861 20 5 CDBDRO CC[N@@H+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000804795443 617333049 /nfs/dbraw/zinc/33/30/49/617333049.db2.gz RNQGETANAUIJOD-NSHDSACASA-N 1 0 289.339 1.773 20 5 CDBDRO CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000982941939 614060373 /nfs/dbraw/zinc/06/03/73/614060373.db2.gz PPSSVAPIBFGHGV-JOCQHMNTSA-N 1 0 277.324 1.599 20 5 CDBDRO C[C@H]1C[C@@H](Nc2c([N+](=O)[O-])cnn2C)C[N@@H+]1C1CC1 ZINC000892875634 617853174 /nfs/dbraw/zinc/85/31/74/617853174.db2.gz HHEPYFUTWGSHJL-DTWKUNHWSA-N 1 0 265.317 1.365 20 5 CDBDRO CCC[C@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CC[NH2+]1 ZINC000895057682 619242061 /nfs/dbraw/zinc/24/20/61/619242061.db2.gz HEFKZQWYLKAJKG-NSHDSACASA-N 1 0 289.339 1.821 20 5 CDBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1F)[C@H]1C[N@H+](C)CCN1C ZINC000895250050 619491234 /nfs/dbraw/zinc/49/12/34/619491234.db2.gz ZVCSEJRMWFXSEU-JOYOIKCWSA-N 1 0 297.334 1.175 20 5 CDBDRO C[N@@H+]1CC[C@@H]1CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000895767379 619834312 /nfs/dbraw/zinc/83/43/12/619834312.db2.gz LZFUAKIRECLJSQ-SECBINFHSA-N 1 0 269.276 1.342 20 5 CDBDRO Cc1c(C(=O)N2CC[NH2+]C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000148058205 620242228 /nfs/dbraw/zinc/24/22/28/620242228.db2.gz SXMNNVJXMXBFQN-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NCC[N@@H+]1CCC(C)(C)C1 ZINC000897248654 620442136 /nfs/dbraw/zinc/44/21/36/620442136.db2.gz WAJOAOSEFLCUCL-UHFFFAOYSA-N 1 0 267.333 1.472 20 5 CDBDRO CN1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000147659370 620852591 /nfs/dbraw/zinc/85/25/91/620852591.db2.gz IPACLLWKGOCUCL-AWEZNQCLSA-N 1 0 279.340 1.312 20 5 CDBDRO CCOC(=O)N[C@H](C[NH2+]CC[N+](=O)[O-])CC(C)C ZINC000899869616 622495184 /nfs/dbraw/zinc/49/51/84/622495184.db2.gz HOZHVGVCQTXBBN-JTQLQIEISA-N 1 0 261.322 1.014 20 5 CDBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1Cn1cc([N+](=O)[O-])cn1 ZINC000902541640 624905441 /nfs/dbraw/zinc/90/54/41/624905441.db2.gz JBJADAPTZNMOQA-GFCCVEGCSA-N 1 0 281.360 1.411 20 5 CDBDRO C[C@H]([NH2+][C@@H]1COC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903392850 625979584 /nfs/dbraw/zinc/97/95/84/625979584.db2.gz AQWKZBZZTKYEBE-VDDIYKPWSA-N 1 0 265.313 1.863 20 5 CDBDRO NOCCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000904457361 626301912 /nfs/dbraw/zinc/30/19/12/626301912.db2.gz QATFEUYLBKTSIV-UHFFFAOYSA-N 1 0 259.693 1.618 20 5 CDBDRO COc1ccc(C(C)(C)C[NH2+]CC[N+](=O)[O-])cc1OC ZINC000905094102 626635717 /nfs/dbraw/zinc/63/57/17/626635717.db2.gz CQNGJLRHYKRAHX-UHFFFAOYSA-N 1 0 282.340 1.848 20 5 CDBDRO CC(C)N(CCC[NH2+]CC[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000905097948 626637469 /nfs/dbraw/zinc/63/74/69/626637469.db2.gz PAOUIQBKNDCYIA-UHFFFAOYSA-N 1 0 289.376 1.888 20 5 CDBDRO C[C@@H]1C[C@@H](NCC[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000905152491 626638411 /nfs/dbraw/zinc/63/84/11/626638411.db2.gz DXTVJBZLIAKMGU-HIFRSBDPSA-N 1 0 277.368 1.906 20 5 CDBDRO CN(CC[NH2+]CC[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000905147633 626659053 /nfs/dbraw/zinc/65/90/53/626659053.db2.gz LIOCZBGAPHUWIP-UHFFFAOYSA-N 1 0 255.293 1.124 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000905215776 626695944 /nfs/dbraw/zinc/69/59/44/626695944.db2.gz OPYWZJDCUBKRGI-OLZOCXBDSA-N 1 0 250.298 1.773 20 5 CDBDRO CC(C)Oc1cccc([C@H](O)C[NH2+]CC[N+](=O)[O-])c1 ZINC000905352081 626763974 /nfs/dbraw/zinc/76/39/74/626763974.db2.gz BYBQTIRYQWUXLX-CYBMUJFWSA-N 1 0 268.313 1.374 20 5 CDBDRO CCC[C@H]([NH2+]CC[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000905360385 626769918 /nfs/dbraw/zinc/76/99/18/626769918.db2.gz MZWMNPDKYJHBMM-STQMWFEESA-N 1 0 252.314 1.755 20 5 CDBDRO CCC[C@H](O)CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000905588810 626879179 /nfs/dbraw/zinc/87/91/79/626879179.db2.gz MDJMBXJMLXYWJF-UONOGXRCSA-N 1 0 282.340 1.769 20 5 CDBDRO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000911811352 629543288 /nfs/dbraw/zinc/54/32/88/629543288.db2.gz OEKQEMDBERPGGO-LERXQTSPSA-N 1 0 289.335 1.519 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1Cn1nnc(-c2ccccc2[N+](=O)[O-])n1 ZINC000912459613 630010568 /nfs/dbraw/zinc/01/05/68/630010568.db2.gz UVYJTKFEPWITAB-SNVBAGLBSA-N 1 0 288.311 1.343 20 5 CDBDRO C[NH+]1CC(CNc2ccc3nc[nH]c3c2[N+](=O)[O-])C1 ZINC001170256821 1162320406 /nfs/dbraw/zinc/32/04/06/1162320406.db2.gz XOLRIHOLHDXSHH-UHFFFAOYSA-N 1 0 261.285 1.445 20 5 CDBDRO CC[C@@H](O)C[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170297420 1162328074 /nfs/dbraw/zinc/32/80/74/1162328074.db2.gz NZLOYKDYPUYTBW-CMPLNLGQSA-N 1 0 282.340 1.895 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]CC(C)(C)O)c([N+](=O)[O-])c1 ZINC001170299246 1162328284 /nfs/dbraw/zinc/32/82/84/1162328284.db2.gz TXRZSVKKWHDZTR-SNVBAGLBSA-N 1 0 282.340 1.895 20 5 CDBDRO COc1cc([N+](=O)[O-])c(N[C@@H](C)[C@H]2C[NH2+]CCO2)cc1F ZINC001170567738 1162949902 /nfs/dbraw/zinc/94/99/02/1162949902.db2.gz LPNDZSIWTWLADF-ISVAXAHUSA-N 1 0 299.302 1.531 20 5 CDBDRO CC(C)N(CCC[NH3+])c1nccc(N)c1[N+](=O)[O-] ZINC001164122618 1161565312 /nfs/dbraw/zinc/56/53/12/1161565312.db2.gz LPEOBQAWYYWWMA-UHFFFAOYSA-N 1 0 253.306 1.136 20 5 CDBDRO [NH3+]CCN(c1cccnc1)c1cccnc1[N+](=O)[O-] ZINC001168837189 1161989882 /nfs/dbraw/zinc/98/98/82/1161989882.db2.gz VRCFOFGKXFMENN-UHFFFAOYSA-N 1 0 259.269 1.482 20 5 CDBDRO COc1cc(C)[nH]c(=O)c1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168998247 1161996812 /nfs/dbraw/zinc/99/68/12/1161996812.db2.gz KMRIPHDYNMUGDS-GHMZBOCLSA-N 1 0 295.339 1.639 20 5 CDBDRO COc1cc(C)[nH]c(=O)c1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168998248 1161997043 /nfs/dbraw/zinc/99/70/43/1161997043.db2.gz KMRIPHDYNMUGDS-MNOVXSKESA-N 1 0 295.339 1.639 20 5 CDBDRO CCC1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001169000834 1161997824 /nfs/dbraw/zinc/99/78/24/1161997824.db2.gz YUJIARCETYFTAJ-NWDGAFQWSA-N 1 0 256.346 1.981 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2ccncc2)cc1 ZINC000105684064 1163613904 /nfs/dbraw/zinc/61/39/04/1163613904.db2.gz WIQPEIPQXOQNAK-HNNXBMFYSA-N 1 0 287.319 1.856 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2ccccn2)cc1 ZINC000105684069 1163614014 /nfs/dbraw/zinc/61/40/14/1163614014.db2.gz KFOBCTIYLJIMQG-HNNXBMFYSA-N 1 0 287.319 1.856 20 5 CDBDRO Cc1nc(Cl)nc(N2CC[NH2+]C3(CC3)C2)c1[N+](=O)[O-] ZINC001158933659 1163836449 /nfs/dbraw/zinc/83/64/49/1163836449.db2.gz RXUKRRXWCHEKRQ-UHFFFAOYSA-N 1 0 283.719 1.289 20 5 CDBDRO C[C@@H](CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000867927631 1164883431 /nfs/dbraw/zinc/88/34/31/1164883431.db2.gz KLIQMTFAUIXWJA-ZUZCIYMTSA-N 1 0 291.351 1.931 20 5 CDBDRO C[C@H](C[NH3+])C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001575978319 1171307699 /nfs/dbraw/zinc/30/76/99/1171307699.db2.gz XYAILJKNXIZMSI-BDAKNGLRSA-N 1 0 251.286 1.367 20 5 CDBDRO CNC(=O)c1ccc(N2CC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC001578562449 1171952022 /nfs/dbraw/zinc/95/20/22/1171952022.db2.gz JKJWWGVEGNKZCR-SNVBAGLBSA-N 1 0 292.339 1.130 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)C[C@H]1CC[NH3+] ZINC001579437910 1172179163 /nfs/dbraw/zinc/17/91/63/1172179163.db2.gz FLQQIVCKVGDYNS-NXEZZACHSA-N 1 0 292.339 1.234 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C[NH3+])C(C)(C)C)n1 ZINC001579642696 1172232386 /nfs/dbraw/zinc/23/23/86/1172232386.db2.gz QYNXQNKFWJAVSX-LLVKDONJSA-N 1 0 280.328 1.401 20 5 CDBDRO Nc1cc[nH+]c(CNC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC001580461320 1172442622 /nfs/dbraw/zinc/44/26/22/1172442622.db2.gz LXEDPXQGDHGFRK-UHFFFAOYSA-N 1 0 286.291 1.431 20 5 CDBDRO O=C(Oc1cc([N+](=O)[O-])ccc1Cl)OC1C[NH2+]C1 ZINC001580804510 1172545724 /nfs/dbraw/zinc/54/57/24/1172545724.db2.gz OXFCKJZGZGCNMK-UHFFFAOYSA-N 1 0 272.644 1.735 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)CN(C2CC2)C2C[NH2+]C2)c1 ZINC001580876012 1172558202 /nfs/dbraw/zinc/55/82/02/1172558202.db2.gz WLUUWQZVKQZMRO-CQSZACIVSA-N 1 0 277.324 1.064 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C1(c2ccc(-c3nn[nH]n3)cc2)CCC1 ZINC001593465896 1174078485 /nfs/dbraw/zinc/07/84/85/1174078485.db2.gz BNPLMUNWJICADN-UHFFFAOYSA-N 1 0 288.311 1.112 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H]2CCCC[NH2+]2)n1 ZINC000134242193 1175813967 /nfs/dbraw/zinc/81/39/67/1175813967.db2.gz BGCAHJOCWHYZKU-VIFPVBQESA-N 1 0 266.301 1.552 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000311686701 1186690013 /nfs/dbraw/zinc/69/00/13/1186690013.db2.gz RQPSIDUPBXNZCS-VIFPVBQESA-N 1 0 265.317 1.468 20 5 CDBDRO Cc1nc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000408067971 719152932 /nfs/dbraw/zinc/15/29/32/719152932.db2.gz QDQDSWQBPFTNNH-VHSXEESVSA-N 1 0 264.329 1.827 20 5 CDBDRO Cc1nc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000590696188 719249524 /nfs/dbraw/zinc/24/95/24/719249524.db2.gz HKFYNADNVJZKCR-RKDXNWHRSA-N 1 0 265.317 1.222 20 5 CDBDRO CCOc1nc(N2C[C@H](C)[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001164640292 719223325 /nfs/dbraw/zinc/22/33/25/719223325.db2.gz SDXLICSRGKCTRO-WDEREUQCSA-N 1 0 294.355 1.917 20 5 CDBDRO C[NH+](C)CC1CCN(c2ccc([N+](=O)[O-])c(N)n2)CC1 ZINC000167804395 721946550 /nfs/dbraw/zinc/94/65/50/721946550.db2.gz ALQWLXXRFVFRJX-UHFFFAOYSA-N 1 0 279.344 1.350 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](CO)CC(F)F)c1 ZINC000843112522 758866203 /nfs/dbraw/zinc/86/62/03/758866203.db2.gz YVGXNIAXHPAAKF-KOLCDFICSA-N 1 0 290.266 1.234 20 5 CDBDRO CC1(C)C[NH2+]C[C@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000721983587 758874330 /nfs/dbraw/zinc/87/43/30/758874330.db2.gz OCOIVFZOAOEUES-LLVKDONJSA-N 1 0 278.312 1.714 20 5 CDBDRO CC[N@H+](Cc1cccnc1[N+](=O)[O-])CC(C)(C)O ZINC000886010601 758877085 /nfs/dbraw/zinc/87/70/85/758877085.db2.gz LUGJDMRSJYQTTP-UHFFFAOYSA-N 1 0 253.302 1.583 20 5 CDBDRO CC[C@@H](O)CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843093958 758878811 /nfs/dbraw/zinc/87/88/11/758878811.db2.gz SCWHAROHLPDCHB-KGLIPLIRSA-N 1 0 282.340 1.769 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000876529649 759033518 /nfs/dbraw/zinc/03/35/18/759033518.db2.gz JFBIXBPHUTWHLC-SNVBAGLBSA-N 1 0 277.324 1.646 20 5 CDBDRO CC[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839198631 768839071 /nfs/dbraw/zinc/83/90/71/768839071.db2.gz SKUYQUATOUVWNC-MCIONIFRSA-N 1 0 280.324 1.785 20 5 CDBDRO CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001048525164 768887935 /nfs/dbraw/zinc/88/79/35/768887935.db2.gz NWHXMINWVAAZSH-XVIXHAIJSA-N 1 0 295.383 1.421 20 5 CDBDRO CO[C@@H](C)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000224152979 768894333 /nfs/dbraw/zinc/89/43/33/768894333.db2.gz MWGSABNMNGRLMR-CABZTGNLSA-N 1 0 254.286 1.253 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1[N+](=O)[O-] ZINC000877167530 769005913 /nfs/dbraw/zinc/00/59/13/769005913.db2.gz BINGUDTUAPMHLI-UWVGGRQHSA-N 1 0 279.271 1.229 20 5 CDBDRO COCC[NH2+]CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817965507 769088733 /nfs/dbraw/zinc/08/87/33/769088733.db2.gz WFEGFAXTMIWIAS-SNVBAGLBSA-N 1 0 282.344 1.064 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1nnc[nH]1 ZINC000873073032 769320740 /nfs/dbraw/zinc/32/07/40/769320740.db2.gz HXARSOPCFAWRSG-UHFFFAOYSA-N 1 0 275.312 1.662 20 5 CDBDRO CC[N@H+](C)C[C@@H]1CCN(Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000173491699 769334556 /nfs/dbraw/zinc/33/45/56/769334556.db2.gz DMTYNLODVLRVIR-ZDUSSCGKSA-N 1 0 295.387 1.639 20 5 CDBDRO CCS(=O)(=O)CC[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000819189316 769362519 /nfs/dbraw/zinc/36/25/19/769362519.db2.gz AFUQBWYANLZJHZ-UHFFFAOYSA-N 1 0 286.353 1.162 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823310960 769471255 /nfs/dbraw/zinc/47/12/55/769471255.db2.gz UYOCEYIZGBOVJP-JTQLQIEISA-N 1 0 259.350 1.278 20 5 CDBDRO C[C@]([NH3+])(C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000867943544 769586226 /nfs/dbraw/zinc/58/62/26/769586226.db2.gz YHKSCIOODWYLMF-CQSZACIVSA-N 1 0 277.324 1.828 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823025253 769806598 /nfs/dbraw/zinc/80/65/98/769806598.db2.gz NOBGXDLTSJLEDK-LLVKDONJSA-N 1 0 273.377 1.668 20 5 CDBDRO C[NH+](C)C1CCC(NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000817484875 769890363 /nfs/dbraw/zinc/89/03/63/769890363.db2.gz FKPUPGVBEPNQLX-UHFFFAOYSA-N 1 0 285.388 1.811 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000886286007 769899391 /nfs/dbraw/zinc/89/93/91/769899391.db2.gz YQCCFVRTKZPXGD-MFKMUULPSA-N 1 0 265.313 1.440 20 5 CDBDRO Cc1nn(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000840151769 769907525 /nfs/dbraw/zinc/90/75/25/769907525.db2.gz BLTWTGCGJWGTGX-LBPRGKRZSA-N 1 0 281.360 1.472 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CC[NH2+]C2)c1 ZINC000262028207 770041444 /nfs/dbraw/zinc/04/14/44/770041444.db2.gz GQMAAVKQQJLMOT-SECBINFHSA-N 1 0 255.705 1.700 20 5 CDBDRO C[C@@H]([NH3+])c1cn(Cc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000124342885 770151873 /nfs/dbraw/zinc/15/18/73/770151873.db2.gz FABYDFNDAXLIII-SSDOTTSWSA-N 1 0 281.703 1.908 20 5 CDBDRO CC[C@H]([NH3+])c1cn(Cc2cc(F)ccc2[N+](=O)[O-])nn1 ZINC000229936378 770289130 /nfs/dbraw/zinc/28/91/30/770289130.db2.gz STAGZMLYTBUCSW-JTQLQIEISA-N 1 0 279.275 1.784 20 5 CDBDRO O=C(C[NH+]1CCCC1)NCCNc1ccccc1[N+](=O)[O-] ZINC000873832340 770305796 /nfs/dbraw/zinc/30/57/96/770305796.db2.gz NAJMEOJPSBFQMG-UHFFFAOYSA-N 1 0 292.339 1.219 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000846741750 770440793 /nfs/dbraw/zinc/44/07/93/770440793.db2.gz DATQRUWJKQSLEN-RKDXNWHRSA-N 1 0 278.312 1.129 20 5 CDBDRO Cc1cc(F)cc(C(=O)NC[C@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000237563857 770670382 /nfs/dbraw/zinc/67/03/82/770670382.db2.gz FRFYKIAAQBZWTK-SSDOTTSWSA-N 1 0 269.276 1.367 20 5 CDBDRO CN(CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000818974820 770802071 /nfs/dbraw/zinc/80/20/71/770802071.db2.gz FVSIPZAGMGOPBO-AWEZNQCLSA-N 1 0 279.340 1.312 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000876510932 770806682 /nfs/dbraw/zinc/80/66/82/770806682.db2.gz RZULNFDRUVFYGK-SNVBAGLBSA-N 1 0 263.297 1.303 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925405601 770807841 /nfs/dbraw/zinc/80/78/41/770807841.db2.gz YFRGUWDNRDZZEH-GFCCVEGCSA-N 1 0 292.339 1.440 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000088055697 770859008 /nfs/dbraw/zinc/85/90/08/770859008.db2.gz NOXGGNGSIJMEIL-GXSJLCMTSA-N 1 0 295.314 1.946 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(C2(C[NH3+])CCCC2)n1 ZINC000843223926 770899103 /nfs/dbraw/zinc/89/91/03/770899103.db2.gz XUDWPZXGWNCKNU-UHFFFAOYSA-N 1 0 292.299 1.149 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840672003 771036528 /nfs/dbraw/zinc/03/65/28/771036528.db2.gz AULFRKPRNVRRBW-GMTAPVOTSA-N 1 0 256.302 1.069 20 5 CDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+](C)C ZINC000072510334 771054389 /nfs/dbraw/zinc/05/43/89/771054389.db2.gz LJBYYAQWOQYKMD-UHFFFAOYSA-N 1 0 294.355 1.342 20 5 CDBDRO CONC(=O)C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000877786252 771072642 /nfs/dbraw/zinc/07/26/42/771072642.db2.gz BNQFWTBWMQIUEE-UHFFFAOYSA-N 1 0 299.352 1.546 20 5 CDBDRO CC[NH+](CC)[C@@H]1CCN(Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000173463175 771130306 /nfs/dbraw/zinc/13/03/06/771130306.db2.gz FYOCMVFWUXZBEN-CYBMUJFWSA-N 1 0 295.387 1.782 20 5 CDBDRO C[NH2+]CCCN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923381019 771289502 /nfs/dbraw/zinc/28/95/02/771289502.db2.gz ZIIVXSGREPAVEL-CYBMUJFWSA-N 1 0 267.329 1.170 20 5 CDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3CCCC[NH2+]3)n2)n1C ZINC000823093666 771374279 /nfs/dbraw/zinc/37/42/79/771374279.db2.gz FYYWAORSGIXFCC-QMMMGPOBSA-N 1 0 292.299 1.501 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](CO)C[C@@H]1CCCO1 ZINC000886229078 771381339 /nfs/dbraw/zinc/38/13/39/771381339.db2.gz KUSFWESHZZESKQ-STQMWFEESA-N 1 0 280.324 1.614 20 5 CDBDRO COCC(COC)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000930440929 771414482 /nfs/dbraw/zinc/41/44/82/771414482.db2.gz PJWLDXVXUDGFAM-UHFFFAOYSA-N 1 0 282.340 1.731 20 5 CDBDRO [NH3+][C@@H](CC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000829124644 771423400 /nfs/dbraw/zinc/42/34/00/771423400.db2.gz GXWRZICVVUKFSX-ZDUSSCGKSA-N 1 0 293.323 1.217 20 5 CDBDRO COCC[NH2+]CCNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000884241889 771432334 /nfs/dbraw/zinc/43/23/34/771432334.db2.gz FHYJGAVZJRSNQG-UHFFFAOYSA-N 1 0 295.339 1.177 20 5 CDBDRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000884355199 771625653 /nfs/dbraw/zinc/62/56/53/771625653.db2.gz IKVAEIPWPWYOJR-CHWSQXEVSA-N 1 0 291.351 1.769 20 5 CDBDRO C[NH2+]C[C@H](C)c1noc(Cc2cccc([N+](=O)[O-])c2)n1 ZINC000842577947 771632173 /nfs/dbraw/zinc/63/21/73/771632173.db2.gz YLYRCZHLNVWPCZ-VIFPVBQESA-N 1 0 276.296 1.892 20 5 CDBDRO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000858584524 771828371 /nfs/dbraw/zinc/82/83/71/771828371.db2.gz SEEPMYYJJLWVSK-GHMZBOCLSA-N 1 0 295.339 1.962 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1-c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000842636585 771870587 /nfs/dbraw/zinc/87/05/87/771870587.db2.gz IXNLGRRRPDQDJA-JTQLQIEISA-N 1 0 275.268 1.652 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000823029107 771876015 /nfs/dbraw/zinc/87/60/15/771876015.db2.gz GYBYQKFZSISTDB-LLVKDONJSA-N 1 0 271.361 1.375 20 5 CDBDRO COc1ccc(OCC[NH2+][C@H]2COC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000932495695 771886940 /nfs/dbraw/zinc/88/69/40/771886940.db2.gz FUJQONVBINDSRF-JQWIXIFHSA-N 1 0 296.323 1.607 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000882487193 771890682 /nfs/dbraw/zinc/89/06/82/771890682.db2.gz BKJNJNARRVPOLE-ZDUSSCGKSA-N 1 0 277.324 1.348 20 5 CDBDRO C[C@H]([NH3+])CN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000863566190 771891476 /nfs/dbraw/zinc/89/14/76/771891476.db2.gz DQZJYOJODNZMKN-UWVGGRQHSA-N 1 0 280.328 1.201 20 5 CDBDRO O=[N+]([O-])CC[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000929809187 771895529 /nfs/dbraw/zinc/89/55/29/771895529.db2.gz KRWPHQLKXHWRML-WDEREUQCSA-N 1 0 270.354 1.913 20 5 CDBDRO C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000313450780 771904894 /nfs/dbraw/zinc/90/48/94/771904894.db2.gz BZQNVAIMGTXDDU-JQWIXIFHSA-N 1 0 277.324 1.742 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000930720720 771929744 /nfs/dbraw/zinc/92/97/44/771929744.db2.gz GQZIWMBAGJTZHO-UHFFFAOYSA-N 1 0 254.330 1.040 20 5 CDBDRO CC[N@H+](CCNC[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000819058913 772031765 /nfs/dbraw/zinc/03/17/65/772031765.db2.gz COZOITXRATXPDU-OAHLLOKOSA-N 1 0 295.383 1.948 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCC2CC(O)C2)c1 ZINC000843111581 772044164 /nfs/dbraw/zinc/04/41/64/772044164.db2.gz ULDPUODJBFJTST-UZANAETPSA-N 1 0 280.324 1.379 20 5 CDBDRO [NH3+]C1(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CCC1 ZINC000701045551 772157936 /nfs/dbraw/zinc/15/79/36/772157936.db2.gz WAKIUKSOABVJCT-UHFFFAOYSA-N 1 0 283.715 1.859 20 5 CDBDRO Nc1ccc(C(=O)OCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000787973874 772207198 /nfs/dbraw/zinc/20/71/98/772207198.db2.gz ICSYWFCHQRCVSN-UHFFFAOYSA-N 1 0 293.323 1.820 20 5 CDBDRO CC(=O)NCCC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873009412 772301978 /nfs/dbraw/zinc/30/19/78/772301978.db2.gz YJYGBUXWWBOQRE-UHFFFAOYSA-N 1 0 279.340 1.827 20 5 CDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[NH+]1CCCC1 ZINC000843755532 772335411 /nfs/dbraw/zinc/33/54/11/772335411.db2.gz MJNOBIMHIQLIIT-UHFFFAOYSA-N 1 0 295.314 1.868 20 5 CDBDRO [NH3+][C@@H]1CN(Cc2cccnc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000886837214 772345265 /nfs/dbraw/zinc/34/52/65/772345265.db2.gz CSXPONGRXLRYAC-LSDHHAIUSA-N 1 0 298.346 1.917 20 5 CDBDRO CC[N@H+](CCNC[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000819058912 772395848 /nfs/dbraw/zinc/39/58/48/772395848.db2.gz COZOITXRATXPDU-HNNXBMFYSA-N 1 0 295.383 1.948 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[NH2+]CC1 ZINC000876506531 772431582 /nfs/dbraw/zinc/43/15/82/772431582.db2.gz VUKKIXZZBHPALD-UHFFFAOYSA-N 1 0 277.324 1.647 20 5 CDBDRO CC[C@H]([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831217684 772437861 /nfs/dbraw/zinc/43/78/61/772437861.db2.gz GWBRYPGULMRUOM-JTQLQIEISA-N 1 0 271.704 1.602 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000088055696 772496306 /nfs/dbraw/zinc/49/63/06/772496306.db2.gz NOXGGNGSIJMEIL-MWLCHTKSSA-N 1 0 295.314 1.946 20 5 CDBDRO C[C@@H]1COC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000932491025 772585398 /nfs/dbraw/zinc/58/53/98/772585398.db2.gz HBGKQKOZJMCGOO-PWSUYJOCSA-N 1 0 293.323 1.548 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H](CCO)C1CC1 ZINC000851933905 772596757 /nfs/dbraw/zinc/59/67/57/772596757.db2.gz WHNZDSNOBKPSLR-GFCCVEGCSA-N 1 0 268.288 1.985 20 5 CDBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839571450 772642030 /nfs/dbraw/zinc/64/20/30/772642030.db2.gz OPIUABCLWMUDOW-QJPTWQEYSA-N 1 0 283.372 1.278 20 5 CDBDRO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000887401255 772658182 /nfs/dbraw/zinc/65/81/82/772658182.db2.gz RVRMIVQXSFAJRJ-NEPJUHHUSA-N 1 0 291.351 1.766 20 5 CDBDRO CCC[NH2+]CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817961837 772768667 /nfs/dbraw/zinc/76/86/67/772768667.db2.gz DIYFTKCLEPGHEZ-SNVBAGLBSA-N 1 0 266.345 1.827 20 5 CDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000930204324 772781482 /nfs/dbraw/zinc/78/14/82/772781482.db2.gz PWBCCFAVIASGJF-JTQLQIEISA-N 1 0 277.324 1.962 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000877008138 772782846 /nfs/dbraw/zinc/78/28/46/772782846.db2.gz LMMBSJYUEVMONL-UHFFFAOYSA-N 1 0 280.328 1.082 20 5 CDBDRO C[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1CCO ZINC000886279172 772844774 /nfs/dbraw/zinc/84/47/74/772844774.db2.gz RCKULVWDRVJILJ-WCQYABFASA-N 1 0 279.340 1.973 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000786980978 772882172 /nfs/dbraw/zinc/88/21/72/772882172.db2.gz ISVDGIQLCJOGJT-JTQLQIEISA-N 1 0 292.339 1.201 20 5 CDBDRO Cc1nc(NC2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000135274418 772893989 /nfs/dbraw/zinc/89/39/89/772893989.db2.gz VFQBCYGTYSBUIX-UHFFFAOYSA-N 1 0 250.302 1.980 20 5 CDBDRO C[C@@H]1C[C@H](C)N(Cc2cccnc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000886840315 772968889 /nfs/dbraw/zinc/96/88/89/772968889.db2.gz YYIMTHNRWSOBLW-NTZNESFSSA-N 1 0 278.356 1.795 20 5 CDBDRO CCc1nn(C)c(NCC[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000091576001 773010377 /nfs/dbraw/zinc/01/03/77/773010377.db2.gz UZOSDECNBLTDSG-VIFPVBQESA-N 1 0 267.333 1.302 20 5 CDBDRO C[NH+](C)C1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885954465 773016524 /nfs/dbraw/zinc/01/65/24/773016524.db2.gz YXEFNECNWQFCST-UHFFFAOYSA-N 1 0 264.329 1.516 20 5 CDBDRO C[C@H]1CCCN(Cc2cccnc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000886839465 773046812 /nfs/dbraw/zinc/04/68/12/773046812.db2.gz FLXRKJLJHKZTNV-WCQYABFASA-N 1 0 278.356 1.939 20 5 CDBDRO Cc1ccc(C[NH2+][C@H]2C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000923007485 773354367 /nfs/dbraw/zinc/35/43/67/773354367.db2.gz IRUZDBZVKGIHDJ-HAQNSBGRSA-N 1 0 250.298 1.764 20 5 CDBDRO CC[C@@H](CCO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134402061 773359310 /nfs/dbraw/zinc/35/93/10/773359310.db2.gz RRGBEVQQDBHBLM-AAEUAGOBSA-N 1 0 268.313 1.379 20 5 CDBDRO C[C@@H](CCCCO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843114022 773377336 /nfs/dbraw/zinc/37/73/36/773377336.db2.gz GONNXMITXSUOOQ-FZMZJTMJSA-N 1 0 282.340 1.769 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1cc(N)ccc1[N+](=O)[O-] ZINC000817131731 773455121 /nfs/dbraw/zinc/45/51/21/773455121.db2.gz MOGNLXPEMCEGPV-NSHDSACASA-N 1 0 264.329 1.707 20 5 CDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000825158711 773469505 /nfs/dbraw/zinc/46/95/05/773469505.db2.gz WZTLHTRFWRJNPU-GFCCVEGCSA-N 1 0 292.339 1.295 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000105908952 773662228 /nfs/dbraw/zinc/66/22/28/773662228.db2.gz PEUTUFPLOXTZOB-QWHCGFSZSA-N 1 0 266.297 1.397 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC2(O)CC2)c1F ZINC001173175755 912281658 /nfs/dbraw/zinc/28/16/58/912281658.db2.gz RTXVRZOMCPZGSE-SECBINFHSA-N 1 0 298.314 1.788 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2(O)CC2)c1F ZINC001173175756 912279168 /nfs/dbraw/zinc/27/91/68/912279168.db2.gz RTXVRZOMCPZGSE-VIFPVBQESA-N 1 0 298.314 1.788 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(C)C1=O ZINC001173215535 912298970 /nfs/dbraw/zinc/29/89/70/912298970.db2.gz WNOXDJBRHKBDCS-ZWNOBZJWSA-N 1 0 277.324 1.346 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC(=O)N1 ZINC001173213146 912337630 /nfs/dbraw/zinc/33/76/30/912337630.db2.gz FXFBXUDQRHJISQ-CMPLNLGQSA-N 1 0 277.324 1.394 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2cccc2C[NH3+])c1 ZINC001167596041 896962568 /nfs/dbraw/zinc/96/25/68/896962568.db2.gz SIRHKEQWQKOTRC-UHFFFAOYSA-N 1 0 275.264 1.631 20 5 CDBDRO CC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCC[NH2+]C1 ZINC001218281889 898592478 /nfs/dbraw/zinc/59/24/78/898592478.db2.gz MEJOCENXYYGOFJ-NSHDSACASA-N 1 0 264.281 1.928 20 5 CDBDRO CCOC(=O)c1ccc(NCC[NH2+]C)c([N+](=O)[O-])c1 ZINC001167726384 899426197 /nfs/dbraw/zinc/42/61/97/899426197.db2.gz WRUYTGROXGFZCG-UHFFFAOYSA-N 1 0 267.285 1.403 20 5 CDBDRO COC(=O)C[N@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921368 912063180 /nfs/dbraw/zinc/06/31/80/912063180.db2.gz PJVMPGOXGCXBEG-CYBMUJFWSA-N 1 0 292.335 1.947 20 5 CDBDRO [NH3+]CCCCCCCn1cc([N+](=O)[O-])ccc1=O ZINC000830271220 936453547 /nfs/dbraw/zinc/45/35/47/936453547.db2.gz PAXJYEIQOUCGOI-UHFFFAOYSA-N 1 0 253.302 1.666 20 5 CDBDRO CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001086007312 926595450 /nfs/dbraw/zinc/59/54/50/926595450.db2.gz BCGRPUQNLCPAFA-JGZJWPJOSA-N 1 0 283.353 1.661 20 5 CDBDRO COc1cc2ncnc(N3CC[C@H]([NH3+])C3)c2cc1[N+](=O)[O-] ZINC001156225079 927469591 /nfs/dbraw/zinc/46/95/91/927469591.db2.gz ACUAEAQNFCUREV-QMMMGPOBSA-N 1 0 289.295 1.084 20 5 CDBDRO CC1(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168978826 927564721 /nfs/dbraw/zinc/56/47/21/927564721.db2.gz UNFHPLTVQOZVNN-VXGBXAGGSA-N 1 0 256.346 1.838 20 5 CDBDRO O=C(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)Cc1ccc(F)cc1 ZINC001168985310 927572238 /nfs/dbraw/zinc/57/22/38/927572238.db2.gz DGGDIDALILYCCM-TZMCWYRMSA-N 1 0 294.326 1.972 20 5 CDBDRO COc1ccc(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)nc1 ZINC001168984647 927573267 /nfs/dbraw/zinc/57/32/67/927573267.db2.gz PKPGIXJRLPZXSH-DGCLKSJQSA-N 1 0 279.340 1.668 20 5 CDBDRO COC(=O)C1CC(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168985401 927575908 /nfs/dbraw/zinc/57/59/08/927575908.db2.gz FBDRDMJOAZYXCE-HBIQZDMRSA-N 1 0 270.329 1.221 20 5 CDBDRO COc1ccc(C(=O)C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168955824 927577013 /nfs/dbraw/zinc/57/70/13/927577013.db2.gz CORJMOIMJZEZKI-AAEUAGOBSA-N 1 0 292.335 1.913 20 5 CDBDRO CCOC(=O)CC(C)(C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168962849 927584762 /nfs/dbraw/zinc/58/47/62/927584762.db2.gz NEWHSIVYGRGULF-GHMZBOCLSA-N 1 0 272.345 1.753 20 5 CDBDRO Cc1cc(C)c(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c(=O)[nH]1 ZINC001168962425 927584782 /nfs/dbraw/zinc/58/47/82/927584782.db2.gz MRMBEYYPCVTZFP-NEPJUHHUSA-N 1 0 279.340 1.939 20 5 CDBDRO CCc1coc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168965250 927587615 /nfs/dbraw/zinc/58/76/15/927587615.db2.gz YOTRRLZQMRZFTC-KOLCDFICSA-N 1 0 253.302 1.772 20 5 CDBDRO O=c1cc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc[nH]1 ZINC001168970393 927593737 /nfs/dbraw/zinc/59/37/37/927593737.db2.gz HABCMHVLHZXJQD-QWRGUYRKSA-N 1 0 251.286 1.322 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](CO)Cc2ccc(O)cc2)C1 ZINC001168975234 927598842 /nfs/dbraw/zinc/59/88/42/927598842.db2.gz VDKOUCNROSKVOY-MGPQQGTHSA-N 1 0 294.351 1.331 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccn(CCF)n2)C1 ZINC001168995832 927602659 /nfs/dbraw/zinc/60/26/59/927602659.db2.gz TYQZGFLUMJKLSS-WDEREUQCSA-N 1 0 270.308 1.388 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3ncccn3)CC2)C1 ZINC001168996009 927603514 /nfs/dbraw/zinc/60/35/14/927603514.db2.gz TZIIXJBRWLBLGM-WDEREUQCSA-N 1 0 262.313 1.501 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2(O)CCCCC2)C1 ZINC001169001000 927605157 /nfs/dbraw/zinc/60/51/57/927605157.db2.gz CDUNCDVXWDHPRG-NEPJUHHUSA-N 1 0 256.346 1.717 20 5 CDBDRO CC(C)C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)N(C)C ZINC001169002218 927606592 /nfs/dbraw/zinc/60/65/92/927606592.db2.gz JJMHYCUCNPJABS-AGIUHOORSA-N 1 0 285.388 1.524 20 5 CDBDRO CCN1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169006011 927608471 /nfs/dbraw/zinc/60/84/71/927608471.db2.gz FDZWYQYUCKQURB-QWHCGFSZSA-N 1 0 255.362 1.459 20 5 CDBDRO CCOC(=O)c1cn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)nc1C[NH3+] ZINC001169008053 927612090 /nfs/dbraw/zinc/61/20/90/927612090.db2.gz RGSCSTYWQHZMQN-VHSXEESVSA-N 1 0 296.327 1.136 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(F)nc2)C1 ZINC001168988317 927625148 /nfs/dbraw/zinc/62/51/48/927625148.db2.gz QVIMKMNPAAOSRI-ONGXEEELSA-N 1 0 253.277 1.756 20 5 CDBDRO Cc1cnc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)s1 ZINC001168988445 927626994 /nfs/dbraw/zinc/62/69/94/927626994.db2.gz SKMIYADTKHCZEM-ZJUUUORDSA-N 1 0 255.343 1.987 20 5 CDBDRO Cc1cnc(C[NH3+])n1-c1cc([N+](=O)[O-])c2nccn2c1 ZINC001169028528 927634991 /nfs/dbraw/zinc/63/49/91/927634991.db2.gz KFLIWMASZRAXOS-UHFFFAOYSA-N 1 0 272.268 1.195 20 5 CDBDRO COc1cccc(-n2c(C)cnc2C[NH3+])c1[N+](=O)[O-] ZINC001169028540 927635689 /nfs/dbraw/zinc/63/56/89/927635689.db2.gz KQOKRBLLTCZRMZ-UHFFFAOYSA-N 1 0 262.269 1.556 20 5 CDBDRO CCOc1cc(-n2c(C)cnc2C[NH3+])ccc1[N+](=O)[O-] ZINC001169030536 927638438 /nfs/dbraw/zinc/63/84/38/927638438.db2.gz FSNUAPFEYXOSQI-UHFFFAOYSA-N 1 0 276.296 1.946 20 5 CDBDRO CCOC(=O)CC[N@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038201 927646920 /nfs/dbraw/zinc/64/69/20/927646920.db2.gz WRNUJWFGQXMIKI-WDEREUQCSA-N 1 0 258.318 1.317 20 5 CDBDRO O=C1CCCN1C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169036856 927647213 /nfs/dbraw/zinc/64/72/13/927647213.db2.gz HSJWZYFUHKPGGI-TZMCWYRMSA-N 1 0 295.383 1.519 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2CN2CCCC2)C1 ZINC001169037772 927647717 /nfs/dbraw/zinc/64/77/17/927647717.db2.gz UEGYUCDWKFWRQN-QLFBSQMISA-N 1 0 281.400 1.992 20 5 CDBDRO CCOC(=O)CC[N@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038200 927647892 /nfs/dbraw/zinc/64/78/92/927647892.db2.gz WRNUJWFGQXMIKI-QWRGUYRKSA-N 1 0 258.318 1.317 20 5 CDBDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169040435 927653527 /nfs/dbraw/zinc/65/35/27/927653527.db2.gz ZVMJSDDKBNGBBG-QNSTZXKLSA-N 1 0 296.367 1.705 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001169025469 927662359 /nfs/dbraw/zinc/66/23/59/927662359.db2.gz JGDRMUSJRLIXKV-MGPQQGTHSA-N 1 0 267.373 1.602 20 5 CDBDRO CCC(=O)N(C)C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169054255 927670781 /nfs/dbraw/zinc/67/07/81/927670781.db2.gz LIVHFSIPDRAHNE-GXTWGEPZSA-N 1 0 297.399 1.765 20 5 CDBDRO CC(=O)Nc1ccc(-n2ccc([C@@H](C)[NH3+])n2)cc1[N+](=O)[O-] ZINC001169233943 927847797 /nfs/dbraw/zinc/84/77/97/927847797.db2.gz UNBNMFVSQVCLFF-MRVPVSSYSA-N 1 0 289.295 1.759 20 5 CDBDRO OC[C@@H]1C[NH2+]C[C@H]1Nc1cc2cccnc2c2ncccc12 ZINC001170782870 929982019 /nfs/dbraw/zinc/98/20/19/929982019.db2.gz OSAZUNCJZSLGAE-SWLSCSKDSA-N 1 0 294.358 1.775 20 5 CDBDRO CC[N@@H+]1CCN(c2c(C)cncc2[N+](=O)[O-])C[C@H]1C ZINC001117262312 937504607 /nfs/dbraw/zinc/50/46/07/937504607.db2.gz SYCAHXZYAXCQRS-LLVKDONJSA-N 1 0 264.329 1.829 20 5 CDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC001154748345 937582321 /nfs/dbraw/zinc/58/23/21/937582321.db2.gz XJFBMFAUTCMHKY-VIFPVBQESA-N 1 0 299.762 1.349 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@H]1CC[NH2+]C1)CC2 ZINC001118198913 937601189 /nfs/dbraw/zinc/60/11/89/937601189.db2.gz ZDNRXZPLABAKKA-NSHDSACASA-N 1 0 261.325 1.562 20 5 CDBDRO CCOc1nc(-n2cnc(C[NH3+])c2)ccc1[N+](=O)[O-] ZINC001154909258 937603410 /nfs/dbraw/zinc/60/34/10/937603410.db2.gz NGPVFQLOLCSCID-UHFFFAOYSA-N 1 0 263.257 1.033 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001154977801 937615400 /nfs/dbraw/zinc/61/54/00/937615400.db2.gz OUWPDCLRPLXZEW-DTWKUNHWSA-N 1 0 294.311 1.458 20 5 CDBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cc(N)c([N+](=O)[O-])cn1 ZINC001155022867 937622230 /nfs/dbraw/zinc/62/22/30/937622230.db2.gz BPJHDBDXKFSEGY-NXEZZACHSA-N 1 0 279.344 1.620 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000114400716 935610918 /nfs/dbraw/zinc/61/09/18/935610918.db2.gz WPQIWTIYLBCFNG-JTQLQIEISA-N 1 0 295.314 1.758 20 5 CDBDRO Cc1ccc(-c2ccc(N3CC[C@@H]([NH3+])C3)nn2)cc1[N+](=O)[O-] ZINC001156227590 938338442 /nfs/dbraw/zinc/33/84/42/938338442.db2.gz UBGOYGMZZICBRP-GFCCVEGCSA-N 1 0 299.334 1.898 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)n1 ZINC001157264549 938471821 /nfs/dbraw/zinc/47/18/21/938471821.db2.gz FGDGLYUIUAPPHR-ZYHUDNBSSA-N 1 0 277.328 1.224 20 5 CDBDRO CCC1(Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)C[NH2+]C1 ZINC001157787477 938545667 /nfs/dbraw/zinc/54/56/67/938545667.db2.gz JJWZNNRJMBWDDT-UHFFFAOYSA-N 1 0 280.328 1.941 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N(C(C)C)[C@@H]2CC[NH2+]C2)n1 ZINC001158025254 938576191 /nfs/dbraw/zinc/57/61/91/938576191.db2.gz IQRDHHYUAQQGBW-SNVBAGLBSA-N 1 0 295.343 1.279 20 5 CDBDRO [NH3+]CCc1cnn(-c2ncnc3cccc([N+](=O)[O-])c32)c1 ZINC001158106088 938583846 /nfs/dbraw/zinc/58/38/46/938583846.db2.gz UBFXWWHXSNEHLG-UHFFFAOYSA-N 1 0 284.279 1.225 20 5 CDBDRO CCN(c1nc(C)nc(Cl)c1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC001158199585 938594401 /nfs/dbraw/zinc/59/44/01/938594401.db2.gz BJVDUWKKBWIJHE-VIFPVBQESA-N 1 0 299.762 1.925 20 5 CDBDRO CC(C)Oc1nc(N2CC[N@@H+]3CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001158430661 938623898 /nfs/dbraw/zinc/62/38/98/938623898.db2.gz ICGGISIPIKJYHQ-LLVKDONJSA-N 1 0 292.339 1.671 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1ncc([N+](=O)[O-])cc1Cl ZINC001159739842 938748172 /nfs/dbraw/zinc/74/81/72/938748172.db2.gz QIFAJKLQHVSLNK-VIFPVBQESA-N 1 0 260.681 1.112 20 5 CDBDRO Nc1cc(-n2cc3ccc(C[NH3+])cc3n2)ncc1[N+](=O)[O-] ZINC001160140564 938770487 /nfs/dbraw/zinc/77/04/87/938770487.db2.gz PTVILHZPGWJBEK-UHFFFAOYSA-N 1 0 284.279 1.370 20 5 CDBDRO CC[N@H+](C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC001160161300 938772525 /nfs/dbraw/zinc/77/25/25/938772525.db2.gz XLDOUFVLSTWWBN-NSHDSACASA-N 1 0 295.314 1.900 20 5 CDBDRO [NH3+]Cc1cn(-c2ncnc3cc(F)c([N+](=O)[O-])cc32)cn1 ZINC001162297359 938973138 /nfs/dbraw/zinc/97/31/38/938973138.db2.gz ZQRKESBPZUNBFL-UHFFFAOYSA-N 1 0 288.242 1.322 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](Nc2cccc3ncc([N+](=O)[O-])n32)C1 ZINC001162404463 939046840 /nfs/dbraw/zinc/04/68/40/939046840.db2.gz MUIIGINJHACAEX-NXEZZACHSA-N 1 0 275.312 1.924 20 5 CDBDRO COc1ncc([N+](=O)[O-])c(NC[C@]2(F)CCCC[NH2+]C2)n1 ZINC001162578927 939092433 /nfs/dbraw/zinc/09/24/33/939092433.db2.gz ABAJVASOVLGNBW-LBPRGKRZSA-N 1 0 299.306 1.287 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(-n2nccc2C[NH3+])c1F ZINC001162597560 939098408 /nfs/dbraw/zinc/09/84/08/939098408.db2.gz JYLJFLMZSUVQDW-UHFFFAOYSA-N 1 0 250.233 1.687 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)n1 ZINC001162790055 939140022 /nfs/dbraw/zinc/14/00/22/939140022.db2.gz QCLKIHDZSKDNIP-IWSPIJDZSA-N 1 0 295.730 1.533 20 5 CDBDRO [NH3+][C@H]1COC[C@H]1Nc1cc2cccnc2c2ncccc12 ZINC001162924678 939162269 /nfs/dbraw/zinc/16/22/69/939162269.db2.gz FJMMKCBYBLHCPM-GXTWGEPZSA-N 1 0 280.331 1.921 20 5 CDBDRO Nc1ccnc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c1[N+](=O)[O-] ZINC001162984004 939169409 /nfs/dbraw/zinc/16/94/09/939169409.db2.gz ATWSAXXFSOINGT-JOYOIKCWSA-N 1 0 263.301 1.269 20 5 CDBDRO CC[N+](C)(C)Cc1ccccc1-n1cc(F)c(=O)nc1N ZINC001163005161 939172553 /nfs/dbraw/zinc/17/25/53/939172553.db2.gz FVRMBCUNXNRXIN-UHFFFAOYSA-O 1 0 291.350 1.793 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ncc1NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001163152439 939213972 /nfs/dbraw/zinc/21/39/72/939213972.db2.gz BPAJCKCWQHIYSV-UFBFGSQYSA-N 1 0 298.730 1.291 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163172458 939219758 /nfs/dbraw/zinc/21/97/58/939219758.db2.gz SCDRZYDLXGAHEG-YRGRVCCFSA-N 1 0 291.351 1.940 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)c1F ZINC001163252617 939233062 /nfs/dbraw/zinc/23/30/62/939233062.db2.gz IFSJXOBMIPCLCB-GXFFZTMASA-N 1 0 294.286 1.032 20 5 CDBDRO COc1cc(C)nc(N(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC001163589693 939290349 /nfs/dbraw/zinc/29/03/49/939290349.db2.gz CPBZLEHGPNBUNE-UHFFFAOYSA-N 1 0 268.317 1.305 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001163786469 939331499 /nfs/dbraw/zinc/33/14/99/939331499.db2.gz OCQHETZDKUQPIB-MRVPVSSYSA-N 1 0 278.312 1.200 20 5 CDBDRO C[C@H]1CC[C@H](C[NH3+])N(c2ncc([N+](=O)[O-])cc2N)C1 ZINC001164074464 939406332 /nfs/dbraw/zinc/40/63/32/939406332.db2.gz TWTQKJXFYFKPKA-DTWKUNHWSA-N 1 0 265.317 1.136 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2cnc3c2C[NH2+]CC3)n1 ZINC001164313547 939452570 /nfs/dbraw/zinc/45/25/70/939452570.db2.gz KUFZQPZJXZIXOH-UHFFFAOYSA-N 1 0 293.714 1.783 20 5 CDBDRO COc1cnc(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001165184159 939521548 /nfs/dbraw/zinc/52/15/48/939521548.db2.gz MFAXWFSVHCYCRX-HZMBPMFUSA-N 1 0 292.339 1.386 20 5 CDBDRO [NH3+][C@]12C[C@H]1CN(c1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC001165314799 939544529 /nfs/dbraw/zinc/54/45/29/939544529.db2.gz PWECAFXJVQUMII-WKEGUHRASA-N 1 0 254.677 1.181 20 5 CDBDRO Cc1cnc(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)c([N+](=O)[O-])c1 ZINC001165427504 939563246 /nfs/dbraw/zinc/56/32/46/939563246.db2.gz PTFASBOOFHHLLI-QWRGUYRKSA-N 1 0 294.330 1.811 20 5 CDBDRO COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CCC[NH2+]C1 ZINC001218281223 941050719 /nfs/dbraw/zinc/05/07/19/941050719.db2.gz BDPFVBYRQHBLPK-SECBINFHSA-N 1 0 280.280 1.512 20 5 CDBDRO O=c1oc2ccccc2c(O[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001218283144 941051173 /nfs/dbraw/zinc/05/11/73/941051173.db2.gz CQVUWQRRAZNMCN-VIFPVBQESA-N 1 0 290.275 1.832 20 5 CDBDRO O=[N+]([O-])c1cc2c[nH]nc2cc1O[C@H]1CCC[NH2+]C1 ZINC001218286958 941052799 /nfs/dbraw/zinc/05/27/99/941052799.db2.gz WLOVCAJDNACXBO-VIFPVBQESA-N 1 0 262.269 1.602 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCc1cccc(C(N)=O)c1 ZINC001222961589 941644821 /nfs/dbraw/zinc/64/48/21/941644821.db2.gz ZRYVHHGQHVZMGZ-LLVKDONJSA-O 1 0 251.350 1.397 20 5 CDBDRO COc1ccccc1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001222974817 941646353 /nfs/dbraw/zinc/64/63/53/941646353.db2.gz HSXWUAIJCSAEMC-CYBMUJFWSA-N 1 0 282.360 1.196 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CO[C@@H]1CC[N@H+](C)C1 ZINC001223103624 941658202 /nfs/dbraw/zinc/65/82/02/941658202.db2.gz DTLPETGAISUJKQ-GFCCVEGCSA-N 1 0 266.297 1.824 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCc1nc(-c2ccncc2)no1 ZINC001224246385 941732506 /nfs/dbraw/zinc/73/25/06/941732506.db2.gz BNJJUKRHXXLRDM-NSHDSACASA-N 1 0 277.348 1.743 20 5 CDBDRO COC(=O)c1coc(CO[C@H](C)C[N+](C)(C)C)n1 ZINC001224253335 941734066 /nfs/dbraw/zinc/73/40/66/941734066.db2.gz XRPOYNFSMXXXBH-SECBINFHSA-N 1 0 257.310 1.073 20 5 CDBDRO C[N+](C)(C)CCO[C@H]1CCn2c1nc1ccccc1c2=O ZINC001224775458 941790406 /nfs/dbraw/zinc/79/04/06/941790406.db2.gz LKWCFAAEYOOIHX-AWEZNQCLSA-N 1 0 288.371 1.564 20 5 CDBDRO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc([N+](=O)[O-])c3)[C@H]1CC(=O)C2 ZINC001226763703 942064725 /nfs/dbraw/zinc/06/47/25/942064725.db2.gz ZWEIZSWNGAIAQN-ZLKJLUDKSA-N 1 0 276.292 1.778 20 5 CDBDRO C[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227462489 942179445 /nfs/dbraw/zinc/17/94/45/942179445.db2.gz GJCGKGPQFVTLAP-SNVBAGLBSA-N 1 0 281.268 1.976 20 5 CDBDRO CNC(=O)c1ccccc1O[C@@H](C)C[N+](C)(C)C ZINC001229316822 942449274 /nfs/dbraw/zinc/44/92/74/942449274.db2.gz BDURQDLUFPRHJJ-NSHDSACASA-O 1 0 251.350 1.520 20 5 CDBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229456533 942478178 /nfs/dbraw/zinc/47/81/78/942478178.db2.gz VYQURUGIBNQMCX-YABSGUDNSA-N 1 0 293.323 1.337 20 5 CDBDRO Cc1cc(O)c(O[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001229751886 942526189 /nfs/dbraw/zinc/52/61/89/942526189.db2.gz YWSPZQSDEJNSHO-SECBINFHSA-N 1 0 252.270 1.692 20 5 CDBDRO CCOC(=O)c1cnn(C)c1O[C@@H](C)C[N+](C)(C)C ZINC001230369509 942613639 /nfs/dbraw/zinc/61/36/39/942613639.db2.gz IFWAEWJICHNJLJ-JTQLQIEISA-N 1 0 270.353 1.070 20 5 CDBDRO CCc1ccc(C(=O)NCC[C@H](C)[NH2+]C)cc1[N+](=O)[O-] ZINC001261460590 946128050 /nfs/dbraw/zinc/12/80/50/946128050.db2.gz JAGDTPYXHDZWAW-JTQLQIEISA-N 1 0 279.340 1.885 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC001254539845 947517436 /nfs/dbraw/zinc/51/74/36/947517436.db2.gz KQBLWJAXRKFISS-NEPJUHHUSA-N 1 0 291.351 1.594 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](O)C1 ZINC001254550327 947521018 /nfs/dbraw/zinc/52/10/18/947521018.db2.gz HRFWQIPIVFJXPP-YPMHNXCESA-N 1 0 264.325 1.983 20 5 CDBDRO Cc1nn(C)cc1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572210 947531419 /nfs/dbraw/zinc/53/14/19/947531419.db2.gz JRJRNSJJPWCMON-CQSZACIVSA-N 1 0 286.335 1.894 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCn1cccn1)C2 ZINC001254572904 947533728 /nfs/dbraw/zinc/53/37/28/947533728.db2.gz UVEFORYDRNBVLS-CYBMUJFWSA-N 1 0 272.308 1.548 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001325324307 953839574 /nfs/dbraw/zinc/83/95/74/953839574.db2.gz OUMYFGROZSLQIU-LLVKDONJSA-N 1 0 294.355 1.435 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001326047347 954197290 /nfs/dbraw/zinc/19/72/90/954197290.db2.gz LZBNMZOLUXCQDS-NSHDSACASA-N 1 0 293.367 1.987 20 5 CDBDRO O=c1c([N+](=O)[O-])cc(Cl)cn1C[C@H]1CCC[NH2+]C1 ZINC001329274328 955792244 /nfs/dbraw/zinc/79/22/44/955792244.db2.gz YZGAKUONBXWVPA-QMMMGPOBSA-N 1 0 271.704 1.410 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC001329484231 955941636 /nfs/dbraw/zinc/94/16/36/955941636.db2.gz NZFZNNLMYMZJJW-VIFPVBQESA-N 1 0 283.303 1.770 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001307214709 956378093 /nfs/dbraw/zinc/37/80/93/956378093.db2.gz QEIVKHYAQOURSR-LBPRGKRZSA-N 1 0 287.323 1.479 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@](CO)(C(C)C)C1 ZINC001333413824 958320421 /nfs/dbraw/zinc/32/04/21/958320421.db2.gz LSCCRWTYRWCDSZ-CQSZACIVSA-N 1 0 296.371 1.440 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NC[C@@H](C)C[NH+]1CCCC1 ZINC001322480666 960235858 /nfs/dbraw/zinc/23/58/58/960235858.db2.gz VSZXWMKZJJZJFT-LLVKDONJSA-N 1 0 278.356 1.864 20 5 CDBDRO C[C@@H](Nc1ccc(N)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001336710152 960490498 /nfs/dbraw/zinc/49/04/98/960490498.db2.gz DCJZVXCJDKCORZ-QMTHXVAHSA-N 1 0 293.371 1.223 20 5 CDBDRO CC(C)[NH2+][C@H]1CCCN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001339560998 962424666 /nfs/dbraw/zinc/42/46/66/962424666.db2.gz HBETWNJTWBOWNU-JTQLQIEISA-N 1 0 279.344 1.539 20 5 CDBDRO C[C@@H](NC(=O)[C@]1(F)CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001342592376 963772819 /nfs/dbraw/zinc/77/28/19/963772819.db2.gz RXLYQUBBCKCOHY-RNCFNFMXSA-N 1 0 281.287 1.474 20 5 CDBDRO C[C@H](C[NH3+])C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001342832197 963836026 /nfs/dbraw/zinc/83/60/26/963836026.db2.gz MMUMUUQXSPFAAA-ZJUUUORDSA-N 1 0 265.313 1.409 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC001345111779 964578653 /nfs/dbraw/zinc/57/86/53/964578653.db2.gz NVCUHQTXUUYIAL-SECBINFHSA-N 1 0 296.327 1.723 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[NH2+]CC(C)C ZINC001345597924 964753612 /nfs/dbraw/zinc/75/36/12/964753612.db2.gz XRDWVIFPZJYFMH-UHFFFAOYSA-N 1 0 295.339 1.465 20 5 CDBDRO O=c1c2ccc([N+](=O)[O-])cc2ncn1C[C@@H]1CCC[NH2+]C1 ZINC001345782325 964813576 /nfs/dbraw/zinc/81/35/76/964813576.db2.gz ZKSLMRBYFIAKPC-SNVBAGLBSA-N 1 0 288.307 1.304 20 5 CDBDRO CON(C)C(=O)CC[NH2+]CCNc1ccccc1[N+](=O)[O-] ZINC001346181237 964972385 /nfs/dbraw/zinc/97/23/85/964972385.db2.gz QSMKLXQQYOQJES-UHFFFAOYSA-N 1 0 296.327 1.006 20 5 CDBDRO CO[C@@H](C)[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001353340350 967911520 /nfs/dbraw/zinc/91/15/20/967911520.db2.gz RIQZVZDPKFEEPM-SRVKXCTJSA-N 1 0 298.339 1.348 20 5 CDBDRO C[NH2+]CCN(C)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001521512469 970307650 /nfs/dbraw/zinc/30/76/50/970307650.db2.gz JZTUAQZPAITEQG-OLZOCXBDSA-N 1 0 277.324 1.376 20 5 CDBDRO O=C(NC1C[NH2+]C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001574312237 1170945438 /nfs/dbraw/zinc/94/54/38/1170945438.db2.gz YJNXOGYKWGAGLG-UHFFFAOYSA-N 1 0 275.308 1.105 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001577167940 1171613883 /nfs/dbraw/zinc/61/38/83/1171613883.db2.gz LIBHSRBCEJSLSA-ZDUSSCGKSA-N 1 0 293.323 1.182 20 5 CDBDRO CCOc1cc(N2CC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000203305905 342491766 /nfs/dbraw/zinc/49/17/66/342491766.db2.gz KCGFTNYHXSXPRW-SECBINFHSA-N 1 0 251.286 1.531 20 5 CDBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000588996687 342477985 /nfs/dbraw/zinc/47/79/85/342477985.db2.gz OBKVTHYEZVXWIX-GHMZBOCLSA-N 1 0 292.339 1.545 20 5 CDBDRO Cc1ccc(C[NH2+][C@H]2C[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000601139731 342479612 /nfs/dbraw/zinc/47/96/12/342479612.db2.gz IRUZDBZVKGIHDJ-TXEJJXNPSA-N 1 0 250.298 1.764 20 5 CDBDRO C[NH+](C)C[C@H](CO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000589101445 342496860 /nfs/dbraw/zinc/49/68/60/342496860.db2.gz DUEFJDMMPNYYDI-SECBINFHSA-N 1 0 273.720 1.583 20 5 CDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000590403668 342543934 /nfs/dbraw/zinc/54/39/34/342543934.db2.gz LXVVOAYWSJQPBC-WCBMZHEXSA-N 1 0 283.353 1.821 20 5 CDBDRO Cc1cc(NCC[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])s1 ZINC000599199864 343979783 /nfs/dbraw/zinc/97/97/83/343979783.db2.gz UWJFYVWCMKHNOZ-VIFPVBQESA-N 1 0 271.342 1.443 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]([NH3+])C[C@H]1C ZINC000601330386 342554785 /nfs/dbraw/zinc/55/47/85/342554785.db2.gz SNZCONCYBIBXKY-KOLCDFICSA-N 1 0 265.313 1.525 20 5 CDBDRO O=[N+]([O-])c1ccc(CN[C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000601332674 342554902 /nfs/dbraw/zinc/55/49/02/342554902.db2.gz NHVIHAMEAFQNRT-OCCSQVGLSA-N 1 0 261.325 1.827 20 5 CDBDRO CC(=O)NCC[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000564991035 365554291 /nfs/dbraw/zinc/55/42/91/365554291.db2.gz VUGLRDLQLSXNPQ-ALCCZGGFSA-N 1 0 277.324 1.676 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601468224 342565481 /nfs/dbraw/zinc/56/54/81/342565481.db2.gz LRHDNFATOKBVJW-GHMZBOCLSA-N 1 0 295.314 1.946 20 5 CDBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000070169993 361737492 /nfs/dbraw/zinc/73/74/92/361737492.db2.gz BYNXGFGGMGJSJE-SECBINFHSA-N 1 0 267.285 1.389 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(CC[NH3+])CC1 ZINC000070187696 361771680 /nfs/dbraw/zinc/77/16/80/361771680.db2.gz NAJPDAVLOKNKGF-UHFFFAOYSA-N 1 0 280.328 1.134 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000124807763 342065558 /nfs/dbraw/zinc/06/55/58/342065558.db2.gz VHGCYCDOZDVSCY-ONGXEEELSA-N 1 0 263.297 1.547 20 5 CDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000600311029 342073438 /nfs/dbraw/zinc/07/34/38/342073438.db2.gz NQRYSKURKHYSNO-SNVBAGLBSA-N 1 0 281.312 1.650 20 5 CDBDRO Cc1cc(NC[C@H](C)[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591436616 342631837 /nfs/dbraw/zinc/63/18/37/342631837.db2.gz GDEXSZYWSYRDJN-VIFPVBQESA-N 1 0 287.323 1.541 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)NC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000591354622 342627407 /nfs/dbraw/zinc/62/74/07/342627407.db2.gz FYDQQUMARPOQEP-UWVGGRQHSA-N 1 0 280.328 1.611 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000591437747 342631947 /nfs/dbraw/zinc/63/19/47/342631947.db2.gz JXHRDKCZMOMDII-PWSUYJOCSA-N 1 0 277.324 1.792 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591438148 342632022 /nfs/dbraw/zinc/63/20/22/342632022.db2.gz LRNIZTNHSGLNPP-MWLCHTKSSA-N 1 0 265.288 1.922 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCSCC2)c1 ZINC000047987622 342150966 /nfs/dbraw/zinc/15/09/66/342150966.db2.gz ZZXHPSNOVSHHAM-LBPRGKRZSA-N 1 0 298.364 1.383 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000592335014 342685697 /nfs/dbraw/zinc/68/56/97/342685697.db2.gz ONKHHQNELXEGEH-JQWIXIFHSA-N 1 0 299.277 1.506 20 5 CDBDRO CC(C)[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000592543953 342708772 /nfs/dbraw/zinc/70/87/72/342708772.db2.gz ZSTNKZYHHBOTMU-CQSZACIVSA-N 1 0 291.351 1.594 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000592554622 342709259 /nfs/dbraw/zinc/70/92/59/342709259.db2.gz KCWSWTHKPJUAEG-NSHDSACASA-N 1 0 290.323 1.049 20 5 CDBDRO Cc1c(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000592562842 342710074 /nfs/dbraw/zinc/71/00/74/342710074.db2.gz CAOQLISVSSYJGI-PHIMTYICSA-N 1 0 263.297 1.257 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)CCO ZINC000593109456 342769194 /nfs/dbraw/zinc/76/91/94/342769194.db2.gz YMRANAXWODFYCK-JTQLQIEISA-N 1 0 268.313 1.806 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000593187565 342776410 /nfs/dbraw/zinc/77/64/10/342776410.db2.gz LYIVVDUVQDNPKB-GMTAPVOTSA-N 1 0 294.355 1.486 20 5 CDBDRO CC[NH2+]Cc1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000090296089 342181532 /nfs/dbraw/zinc/18/15/32/342181532.db2.gz JQTBDAQTMRIBGF-UHFFFAOYSA-N 1 0 261.285 1.344 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](CO)CCF ZINC000593690187 342823489 /nfs/dbraw/zinc/82/34/89/342823489.db2.gz UQAMFJYQANBLIZ-FHMRSRPSSA-N 1 0 268.288 1.918 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000080387763 342210853 /nfs/dbraw/zinc/21/08/53/342210853.db2.gz VCGHMIDWPVHAPY-UHFFFAOYSA-N 1 0 265.313 1.157 20 5 CDBDRO O=C(NCCC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1F ZINC000593918628 342851140 /nfs/dbraw/zinc/85/11/40/342851140.db2.gz HFKUIAHMHHZFCH-UHFFFAOYSA-N 1 0 295.314 1.853 20 5 CDBDRO C[C@@H]([NH2+]CC[C@@H]1CCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000593970975 342858861 /nfs/dbraw/zinc/85/88/61/342858861.db2.gz BCLIFVLICTVQIH-GHMZBOCLSA-N 1 0 277.324 1.772 20 5 CDBDRO CN(C)C(=O)CCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000593987524 342860633 /nfs/dbraw/zinc/86/06/33/342860633.db2.gz VVQHSJNFWFFBJE-UHFFFAOYSA-N 1 0 293.367 1.938 20 5 CDBDRO CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000209215817 342226256 /nfs/dbraw/zinc/22/62/56/342226256.db2.gz LCDKXFMKMVDZEW-DAXSKMNVSA-N 1 0 289.335 1.818 20 5 CDBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000594390464 342894588 /nfs/dbraw/zinc/89/45/88/342894588.db2.gz WVMPNHSDBWQYJS-UHFFFAOYSA-N 1 0 294.355 1.869 20 5 CDBDRO CC[C@H]([NH2+]C[C@@H]1COCCN1)c1cccc([N+](=O)[O-])c1 ZINC000600710978 342243667 /nfs/dbraw/zinc/24/36/67/342243667.db2.gz RCDDCEGLUMLYGK-OCCSQVGLSA-N 1 0 279.340 1.624 20 5 CDBDRO CC(C)[C@@H]1C[NH2+]CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000600713966 342244049 /nfs/dbraw/zinc/24/40/49/342244049.db2.gz HNPUOIAEUHJVRI-AWEZNQCLSA-N 1 0 293.367 1.903 20 5 CDBDRO COC[C@@H](CO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594503631 342914352 /nfs/dbraw/zinc/91/43/52/342914352.db2.gz FQQRGQKPNJVGIN-SKDRFNHKSA-N 1 0 266.297 1.179 20 5 CDBDRO C[NH2+]C1(CNC(=O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000600825457 342251725 /nfs/dbraw/zinc/25/17/25/342251725.db2.gz UWPBCAWORKTRRK-UHFFFAOYSA-N 1 0 293.323 1.232 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H](CO)CCF ZINC000594508779 342914849 /nfs/dbraw/zinc/91/48/49/342914849.db2.gz WBASIGKCAROZGE-JOYOIKCWSA-N 1 0 268.288 1.892 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C[C@H]21 ZINC000125688505 187195989 /nfs/dbraw/zinc/19/59/89/187195989.db2.gz BXQJZQUOECFVGO-JMJZKYOTSA-N 1 0 278.312 1.122 20 5 CDBDRO C[NH+](C)CCc1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000594640519 342939313 /nfs/dbraw/zinc/93/93/13/342939313.db2.gz MILVJVGCFNPDGX-UHFFFAOYSA-N 1 0 261.285 1.280 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000108344756 349736345 /nfs/dbraw/zinc/73/63/45/349736345.db2.gz VUHPJYLEGLNFEF-GFCCVEGCSA-N 1 0 291.351 1.975 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CO)CCF ZINC000595049119 342999287 /nfs/dbraw/zinc/99/92/87/342999287.db2.gz YBPSMZRVZRQJIY-UWVGGRQHSA-N 1 0 286.303 1.975 20 5 CDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C/C=C\CO ZINC000595072264 343002673 /nfs/dbraw/zinc/00/26/73/343002673.db2.gz RCUFDQZRYYJFFJ-QUCGXOGASA-N 1 0 293.323 1.450 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000595276472 343021901 /nfs/dbraw/zinc/02/19/01/343021901.db2.gz ZXEGTYNHWAJASD-SNVBAGLBSA-N 1 0 294.355 1.737 20 5 CDBDRO O=C1CC2(CN1)CC[NH+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000075013131 342306563 /nfs/dbraw/zinc/30/65/63/342306563.db2.gz BAAYXMSPFOUPJB-UHFFFAOYSA-N 1 0 289.335 1.697 20 5 CDBDRO C[NH+](C)C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000075873521 342315548 /nfs/dbraw/zinc/31/55/48/342315548.db2.gz KFJJNOPEFRBBGG-UHFFFAOYSA-N 1 0 283.353 1.823 20 5 CDBDRO CCC(CC)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)[NH+](C)C ZINC000076267764 342320217 /nfs/dbraw/zinc/32/02/17/342320217.db2.gz NFMMTRGKCQLKMD-JTQLQIEISA-N 1 0 296.375 1.745 20 5 CDBDRO C[C@@H]1[C@H](C)[S@@](=O)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000076824306 342323588 /nfs/dbraw/zinc/32/35/88/342323588.db2.gz UWXZKZWLCQLEHE-XAAFQQQXSA-N 1 0 296.392 1.979 20 5 CDBDRO CCC[N@H+](C)C[C@H]1CCN(c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000078563446 342338289 /nfs/dbraw/zinc/33/82/89/342338289.db2.gz YKWVLFZCPZAKTN-GFCCVEGCSA-N 1 0 295.387 1.805 20 5 CDBDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000078662517 342339412 /nfs/dbraw/zinc/33/94/12/342339412.db2.gz JFCIITATEUTQRF-CQSZACIVSA-N 1 0 296.323 1.653 20 5 CDBDRO C[C@@]1(NC(=O)CCNc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000595992915 343213255 /nfs/dbraw/zinc/21/32/55/343213255.db2.gz UENCXJBNKUNZQG-CQSZACIVSA-N 1 0 292.339 1.265 20 5 CDBDRO CC1(C)CC[NH2+][C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000595925845 343193575 /nfs/dbraw/zinc/19/35/75/343193575.db2.gz UTOLZYVJYXKWMI-GFCCVEGCSA-N 1 0 277.324 1.599 20 5 CDBDRO O=[N+]([O-])c1cncc(Cl)c1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000596120518 343247835 /nfs/dbraw/zinc/24/78/35/343247835.db2.gz SIYYYIWRCIXKLD-JTQLQIEISA-N 1 0 296.758 1.961 20 5 CDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(C)(C)C[NH+](C)C ZINC000085288980 342382542 /nfs/dbraw/zinc/38/25/42/342382542.db2.gz WCLVBPRTLBTPHG-SECBINFHSA-N 1 0 282.344 1.629 20 5 CDBDRO C[C@H](CCNc1ncc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000596428711 343312308 /nfs/dbraw/zinc/31/23/08/343312308.db2.gz GXHZWXXZNOGVOH-MRVPVSSYSA-N 1 0 256.281 1.881 20 5 CDBDRO CNC(=O)[C@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000291785150 529917581 /nfs/dbraw/zinc/91/75/81/529917581.db2.gz ARFPVKCKBWNUPC-MNOVXSKESA-N 1 0 279.340 1.640 20 5 CDBDRO [NH3+][C@@]12CCC[C@H]1CN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000598680422 343863613 /nfs/dbraw/zinc/86/36/13/343863613.db2.gz BOVXBAYCDVHSNN-GXTWGEPZSA-N 1 0 261.325 1.908 20 5 CDBDRO COc1cc(C[NH2+]C[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000599008188 343938833 /nfs/dbraw/zinc/93/88/33/343938833.db2.gz VURMQJGIIIZAHO-JGZJWPJOSA-N 1 0 296.323 1.473 20 5 CDBDRO Cc1ccc(C[NH2+]CCN2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000599020152 343940351 /nfs/dbraw/zinc/94/03/51/343940351.db2.gz YWHUHIIZDFRRLP-ZDUSSCGKSA-N 1 0 279.340 1.059 20 5 CDBDRO NC(=O)[C@@H]1CCCN1CCCNc1sccc1[N+](=O)[O-] ZINC000599130325 343964542 /nfs/dbraw/zinc/96/45/42/343964542.db2.gz UFJLJUMYTUVXMY-VIFPVBQESA-N 1 0 298.368 1.408 20 5 CDBDRO CO[C@@H](CN(CC[NH3+])c1ccccc1[N+](=O)[O-])C1CC1 ZINC000602658118 344518804 /nfs/dbraw/zinc/51/88/04/344518804.db2.gz AOCUUFXYIVASSD-AWEZNQCLSA-N 1 0 279.340 1.785 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@]1(C)CCCO ZINC000602800501 344590616 /nfs/dbraw/zinc/59/06/16/344590616.db2.gz XAVMZCYPMFQRND-CQSZACIVSA-N 1 0 296.371 1.727 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CCO)C(C)(C)C ZINC000602803577 344592132 /nfs/dbraw/zinc/59/21/32/344592132.db2.gz CUBYUSHLBCMWAK-NSHDSACASA-N 1 0 284.360 1.486 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000602796017 344586566 /nfs/dbraw/zinc/58/65/66/344586566.db2.gz JFAZRNFABIJFIQ-NSHDSACASA-N 1 0 282.344 1.335 20 5 CDBDRO CC[C@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CCCO1 ZINC000602825358 344611726 /nfs/dbraw/zinc/61/17/26/344611726.db2.gz KQOWFEKRZPRJGI-LBPRGKRZSA-N 1 0 282.344 1.601 20 5 CDBDRO CC[C@]1(CO)CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602810946 344602963 /nfs/dbraw/zinc/60/29/63/344602963.db2.gz JPSYWEDCFLACAQ-AWEZNQCLSA-N 1 0 296.371 1.584 20 5 CDBDRO Cn1c(C(=O)NCC2(C)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000129018288 362480500 /nfs/dbraw/zinc/48/05/00/362480500.db2.gz AJYQMLOUYFVRIV-UHFFFAOYSA-N 1 0 280.328 1.053 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000602902063 344654875 /nfs/dbraw/zinc/65/48/75/344654875.db2.gz FOUGIFVOEVPVCN-GWCFXTLKSA-N 1 0 282.344 1.050 20 5 CDBDRO COC[C@H]1CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602916390 344648582 /nfs/dbraw/zinc/64/85/82/344648582.db2.gz SZKLNHHUPVBLGH-LLVKDONJSA-N 1 0 268.317 1.211 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)c1 ZINC000602997558 344683961 /nfs/dbraw/zinc/68/39/61/344683961.db2.gz MONMQLOKTNVKBP-MJBXVCDLSA-N 1 0 294.355 1.417 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@H]2CSCC[NH2+]2)cn1 ZINC000603419669 344799499 /nfs/dbraw/zinc/79/94/99/344799499.db2.gz PDPQBPLXALUZKP-VIFPVBQESA-N 1 0 254.315 1.107 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CSCC[NH2+]2)c(F)c1 ZINC000603421015 344799824 /nfs/dbraw/zinc/79/98/24/344799824.db2.gz XEFGGCUXFNSYLV-SSDOTTSWSA-N 1 0 272.305 1.246 20 5 CDBDRO COc1cc([N+](=O)[O-])cn(CC[NH+]2CCCCC2)c1=O ZINC000603361746 344783990 /nfs/dbraw/zinc/78/39/90/344783990.db2.gz JXQIRJBYIHGJDY-UHFFFAOYSA-N 1 0 281.312 1.251 20 5 CDBDRO COC[C@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000603822902 344836808 /nfs/dbraw/zinc/83/68/08/344836808.db2.gz XQOWVBJUHNNFLN-VIFPVBQESA-N 1 0 267.285 1.158 20 5 CDBDRO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000344265802 362551925 /nfs/dbraw/zinc/55/19/25/362551925.db2.gz YDTWFNNPFLPCEY-MRVPVSSYSA-N 1 0 269.276 1.414 20 5 CDBDRO O=[N+]([O-])c1ccc(-n2cc(C3CC[NH2+]CC3)nn2)cc1 ZINC000405100885 345384484 /nfs/dbraw/zinc/38/44/84/345384484.db2.gz UYBZZJUZICREGO-UHFFFAOYSA-N 1 0 273.296 1.643 20 5 CDBDRO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000161301405 362623891 /nfs/dbraw/zinc/62/38/91/362623891.db2.gz SJNMUZHZAWYHFO-GZMMTYOYSA-N 1 0 251.286 1.907 20 5 CDBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000047920868 345971829 /nfs/dbraw/zinc/97/18/29/345971829.db2.gz DWVKIJVYJSDHAY-AWEZNQCLSA-N 1 0 291.351 1.594 20 5 CDBDRO C[NH+](C)C1(CNc2cccnc2[N+](=O)[O-])CCOCC1 ZINC000609613860 345975598 /nfs/dbraw/zinc/97/55/98/345975598.db2.gz VNTOTONBTMAKJV-UHFFFAOYSA-N 1 0 280.328 1.513 20 5 CDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000609965687 346051228 /nfs/dbraw/zinc/05/12/28/346051228.db2.gz PTJJIKWZQMOSJW-LBPRGKRZSA-N 1 0 264.329 1.766 20 5 CDBDRO CC[N@H+](C)C[C@@H]1CCN(c2cccnc2[N+](=O)[O-])C1 ZINC000610283333 346243592 /nfs/dbraw/zinc/24/35/92/346243592.db2.gz XFYMOHTZUWZQKG-NSHDSACASA-N 1 0 264.329 1.768 20 5 CDBDRO C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000610541554 346307874 /nfs/dbraw/zinc/30/78/74/346307874.db2.gz DIMBKBYTYIXJSH-VIFPVBQESA-N 1 0 251.286 1.161 20 5 CDBDRO C[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000610541505 346308033 /nfs/dbraw/zinc/30/80/33/346308033.db2.gz MJSAIDCXVOOHDK-JTQLQIEISA-N 1 0 280.328 1.073 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[NH2+]C[C@@H]1C ZINC000086470152 362712534 /nfs/dbraw/zinc/71/25/34/362712534.db2.gz PMFMDZMVZBOMAV-QWRGUYRKSA-N 1 0 279.340 1.786 20 5 CDBDRO COc1ccc(CN2C[C@@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000086469310 362712631 /nfs/dbraw/zinc/71/26/31/362712631.db2.gz HKMLZOPNXURSTG-GHMZBOCLSA-N 1 0 279.340 1.786 20 5 CDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)C1CC[NH+](C)CC1 ZINC000610773166 346404614 /nfs/dbraw/zinc/40/46/14/346404614.db2.gz TYJMRPZHHCJHFU-SNVBAGLBSA-N 1 0 292.339 1.450 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000454135245 252333413 /nfs/dbraw/zinc/33/34/13/252333413.db2.gz BETWONNDQLRBFU-UHFFFAOYSA-N 1 0 295.343 1.103 20 5 CDBDRO COc1ccc(C[NH2+][C@@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000611108191 346609759 /nfs/dbraw/zinc/60/97/59/346609759.db2.gz BYRJKEQUYKYOEB-GFCCVEGCSA-N 1 0 280.324 1.854 20 5 CDBDRO CC[NH+](CC)CCOCCNc1cccnc1[N+](=O)[O-] ZINC000612453135 347178108 /nfs/dbraw/zinc/17/81/08/347178108.db2.gz SSLMYXUYJFOCLC-UHFFFAOYSA-N 1 0 282.344 1.760 20 5 CDBDRO Cc1cnc(NC[C@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000090692558 347817852 /nfs/dbraw/zinc/81/78/52/347817852.db2.gz RXXFRHCTRVRQPH-SNVBAGLBSA-N 1 0 250.302 1.852 20 5 CDBDRO C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000086468338 179299571 /nfs/dbraw/zinc/29/95/71/179299571.db2.gz PSMLWQAEGOEAGW-MNOVXSKESA-N 1 0 277.324 1.346 20 5 CDBDRO COc1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000089091436 179699702 /nfs/dbraw/zinc/69/97/02/179699702.db2.gz WRHBMPDNRKPJTN-WDEREUQCSA-N 1 0 293.323 1.461 20 5 CDBDRO CC(C)[N@H+](C)CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000068519944 349069777 /nfs/dbraw/zinc/06/97/77/349069777.db2.gz BDJCHVIVJMYLFV-UHFFFAOYSA-N 1 0 295.339 1.430 20 5 CDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111010463 349220069 /nfs/dbraw/zinc/22/00/69/349220069.db2.gz DVCGEWNFTQARFH-VIFPVBQESA-N 1 0 297.742 1.978 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111303064 349224261 /nfs/dbraw/zinc/22/42/61/349224261.db2.gz XDCRGTULBBFXDI-ZCFIWIBFSA-N 1 0 257.677 1.325 20 5 CDBDRO COCC1(O)CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000271210782 191003612 /nfs/dbraw/zinc/00/36/12/191003612.db2.gz YJOAOJRNMRRSFU-UHFFFAOYSA-N 1 0 294.351 1.877 20 5 CDBDRO O=[N+]([O-])c1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000108100118 186204834 /nfs/dbraw/zinc/20/48/34/186204834.db2.gz AYWJGZVVLJDFST-AOOOYVTPSA-N 1 0 253.327 1.308 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOCC3(CCCC3)C2)n1 ZINC000364327730 362973849 /nfs/dbraw/zinc/97/38/49/362973849.db2.gz KRSCHANOEFRKBQ-UHFFFAOYSA-N 1 0 294.355 1.684 20 5 CDBDRO Nc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1[N+](=O)[O-] ZINC000312522549 350783009 /nfs/dbraw/zinc/78/30/09/350783009.db2.gz OSMMFDWSXLPOSB-NXEZZACHSA-N 1 0 277.328 1.611 20 5 CDBDRO Cc1c(C(=O)N2CCCO[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000313333668 350833769 /nfs/dbraw/zinc/83/37/69/350833769.db2.gz FODUSGOBWMTFLQ-LLVKDONJSA-N 1 0 293.323 1.093 20 5 CDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H](O)C1CC1 ZINC000079770821 350968089 /nfs/dbraw/zinc/96/80/89/350968089.db2.gz QMPGEKRZHUKGFW-AWEZNQCLSA-N 1 0 264.325 1.840 20 5 CDBDRO CCO[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H]1OC ZINC000157191653 351593604 /nfs/dbraw/zinc/59/36/04/351593604.db2.gz GWQBJTIOBVMUJL-KFWWJZLASA-N 1 0 294.351 1.919 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000516568389 363156334 /nfs/dbraw/zinc/15/63/34/363156334.db2.gz AOYPEOOSIDEKBD-LLVKDONJSA-N 1 0 294.355 1.884 20 5 CDBDRO C[C@@H](CCCC[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000292029324 198138383 /nfs/dbraw/zinc/13/83/83/198138383.db2.gz GMXLYODYPKAVGJ-NSHDSACASA-N 1 0 279.340 1.771 20 5 CDBDRO COCC(C)(C)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000292086622 198158647 /nfs/dbraw/zinc/15/86/47/198158647.db2.gz GHKWZTWBOAWYGC-ZDUSSCGKSA-N 1 0 282.340 1.985 20 5 CDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000153256111 188073039 /nfs/dbraw/zinc/07/30/39/188073039.db2.gz SHQUJGABPUPPNK-AWEZNQCLSA-N 1 0 291.351 1.786 20 5 CDBDRO C[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)C[NH+](C)C ZINC000292396481 198273076 /nfs/dbraw/zinc/27/30/76/198273076.db2.gz NYZPKSNFPWJHGQ-QMMMGPOBSA-N 1 0 271.342 1.584 20 5 CDBDRO CC[N@H+](CCC(=O)OC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153822776 188105940 /nfs/dbraw/zinc/10/59/40/188105940.db2.gz WKWOZEQTPPRMQZ-CYBMUJFWSA-N 1 0 296.323 1.513 20 5 CDBDRO C[N@@H+](CCc1nccs1)CCn1cc([N+](=O)[O-])cn1 ZINC000157812004 188340416 /nfs/dbraw/zinc/34/04/16/188340416.db2.gz PWXHUZOIJZTPFJ-UHFFFAOYSA-N 1 0 281.341 1.422 20 5 CDBDRO CC1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000279800172 363303005 /nfs/dbraw/zinc/30/30/05/363303005.db2.gz PATWKVBZNMUAAR-CYBMUJFWSA-N 1 0 264.325 1.840 20 5 CDBDRO COc1ccc(C[NH2+]CCN2CC=CCC2)cc1[N+](=O)[O-] ZINC000279839111 363320702 /nfs/dbraw/zinc/32/07/02/363320702.db2.gz QVXPIQIPNXUBIS-UHFFFAOYSA-N 1 0 291.351 1.955 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)c1 ZINC000411988213 363396172 /nfs/dbraw/zinc/39/61/72/363396172.db2.gz GQNAZLBJJHRUQI-TZMCWYRMSA-N 1 0 280.324 1.472 20 5 CDBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1[NH+](C)C ZINC000271775280 191318194 /nfs/dbraw/zinc/31/81/94/191318194.db2.gz JEELEONGFKZUHK-WCBMZHEXSA-N 1 0 299.352 1.305 20 5 CDBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1[NH+](C)C ZINC000271839968 191360803 /nfs/dbraw/zinc/36/08/03/191360803.db2.gz UEHFZXPPRWDUGH-ZJUUUORDSA-N 1 0 298.368 1.041 20 5 CDBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H](C)C1 ZINC000578025155 356114530 /nfs/dbraw/zinc/11/45/30/356114530.db2.gz NMUULWRRVHHWNG-NXEZZACHSA-N 1 0 280.328 1.478 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CC[NH3+])c1 ZINC000336793528 356262301 /nfs/dbraw/zinc/26/23/01/356262301.db2.gz XBXIOCXLCWENKS-SECBINFHSA-N 1 0 251.286 1.370 20 5 CDBDRO Cc1cc(C(=O)N[C@H](C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000336787267 356263024 /nfs/dbraw/zinc/26/30/24/356263024.db2.gz DRRIIHJKAMWVSH-SECBINFHSA-N 1 0 251.286 1.370 20 5 CDBDRO C[C@H](CO)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000131872256 356268985 /nfs/dbraw/zinc/26/89/85/356268985.db2.gz DXZLAYHYDSRZRI-LLVKDONJSA-N 1 0 268.313 1.676 20 5 CDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336813817 356274011 /nfs/dbraw/zinc/27/40/11/356274011.db2.gz VOQAPXXLWHPWSE-VXGBXAGGSA-N 1 0 268.288 1.983 20 5 CDBDRO CC[C@@H](CCO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000134395769 356241116 /nfs/dbraw/zinc/24/11/16/356241116.db2.gz XHDXHFMGACERRA-LBPRGKRZSA-N 1 0 252.314 1.888 20 5 CDBDRO CNC(=O)c1ccc(NC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000308660106 356328088 /nfs/dbraw/zinc/32/80/88/356328088.db2.gz VWEMJFKGNQHLBL-UHFFFAOYSA-N 1 0 294.355 1.707 20 5 CDBDRO C[C@H](CNc1ncc([N+](=O)[O-])cn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000273591647 192220331 /nfs/dbraw/zinc/22/03/31/192220331.db2.gz HHTLSPWOHYSATH-GHMZBOCLSA-N 1 0 279.344 1.917 20 5 CDBDRO CN(CCOc1ccc([N+](=O)[O-])cc1)[C@H](C[NH3+])C1CC1 ZINC000359875196 356429336 /nfs/dbraw/zinc/42/93/36/356429336.db2.gz JZRDNCMKEQAYRG-CQSZACIVSA-N 1 0 279.340 1.643 20 5 CDBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000273718016 192276497 /nfs/dbraw/zinc/27/64/97/192276497.db2.gz GJAQMRGXDVONRG-LLVKDONJSA-N 1 0 279.344 1.775 20 5 CDBDRO CC1(C)CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000175429406 356561233 /nfs/dbraw/zinc/56/12/33/356561233.db2.gz LESBVIGJLFMSIP-UHFFFAOYSA-N 1 0 293.323 1.184 20 5 CDBDRO C[NH+](C)C(C)(C)CNc1ncc([N+](=O)[O-])cc1F ZINC000578421422 356637734 /nfs/dbraw/zinc/63/77/34/356637734.db2.gz CZTSNTDCZZXBEY-UHFFFAOYSA-N 1 0 256.281 1.881 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1csc([N+](=O)[O-])c1 ZINC000144287744 356726655 /nfs/dbraw/zinc/72/66/55/356726655.db2.gz MCJFEVZGFSZSPU-SECBINFHSA-N 1 0 281.337 1.623 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)[C@@H]2CCCO2)cc1 ZINC000447913693 356928269 /nfs/dbraw/zinc/92/82/69/356928269.db2.gz JMHQOOHQVQHNQV-STQMWFEESA-N 1 0 266.297 1.224 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000073419352 356936887 /nfs/dbraw/zinc/93/68/87/356936887.db2.gz YIEFUNURDWWREV-NSHDSACASA-N 1 0 293.323 1.515 20 5 CDBDRO C[NH2+]CCCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000083395657 357210134 /nfs/dbraw/zinc/21/01/34/357210134.db2.gz QHBJELPBCMYKKD-UHFFFAOYSA-N 1 0 253.302 1.303 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000182213025 357420614 /nfs/dbraw/zinc/42/06/14/357420614.db2.gz HMHBMEPRZQIXQO-NSHDSACASA-N 1 0 298.364 1.383 20 5 CDBDRO COCC1=CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000185839461 357582479 /nfs/dbraw/zinc/58/24/79/357582479.db2.gz HCSJXWWWDXKWSN-UHFFFAOYSA-N 1 0 293.323 1.035 20 5 CDBDRO CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284066711 357637087 /nfs/dbraw/zinc/63/70/87/357637087.db2.gz LAOBOWQQXGTZRF-TVQRCGJNSA-N 1 0 267.329 1.989 20 5 CDBDRO CC[C@@]1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000062899063 357981338 /nfs/dbraw/zinc/98/13/38/357981338.db2.gz HSJGBQHCQGLNSL-OAHLLOKOSA-N 1 0 291.351 1.643 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2C[C@H]([NH3+])C23CCC3)n1 ZINC001579642501 1172232462 /nfs/dbraw/zinc/23/24/62/1172232462.db2.gz IQNCAUNHQVJECE-NWDGAFQWSA-N 1 0 290.323 1.298 20 5 CDBDRO CSc1ccc(C(=O)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000120288684 358166034 /nfs/dbraw/zinc/16/60/34/358166034.db2.gz DJHMCUIHSAQYFF-JTQLQIEISA-N 1 0 295.364 1.799 20 5 CDBDRO C[N@H+]1C[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000192567884 358216921 /nfs/dbraw/zinc/21/69/21/358216921.db2.gz YXXZAZQXDXBLHV-PHIMTYICSA-N 1 0 290.323 1.620 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCN2CCC(O)CC2)cc1 ZINC000294728945 199155966 /nfs/dbraw/zinc/15/59/66/199155966.db2.gz BLYAUXRLXBLUTE-UHFFFAOYSA-N 1 0 279.340 1.141 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000193588625 358306488 /nfs/dbraw/zinc/30/64/88/358306488.db2.gz GUXKPZZPOJSDLQ-KWQFWETISA-N 1 0 278.312 1.047 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000193621272 358309447 /nfs/dbraw/zinc/30/94/47/358309447.db2.gz NQLUFYRUWDYWBD-TVQRCGJNSA-N 1 0 293.323 1.218 20 5 CDBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000193632548 358311449 /nfs/dbraw/zinc/31/14/49/358311449.db2.gz UNJOXUJOIBWXSW-MFKMUULPSA-N 1 0 293.323 1.088 20 5 CDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H](C)OC ZINC000361572436 358325769 /nfs/dbraw/zinc/32/57/69/358325769.db2.gz DLESSXPVVRRSGJ-JTQLQIEISA-N 1 0 256.306 1.148 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264895793 358758931 /nfs/dbraw/zinc/75/89/31/358758931.db2.gz KSZFSVVXPHTALS-LLVKDONJSA-N 1 0 279.340 1.594 20 5 CDBDRO CCOC(=O)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176189582 358731432 /nfs/dbraw/zinc/73/14/32/358731432.db2.gz QMYXSDGVZDLZAP-UHFFFAOYSA-N 1 0 296.327 1.066 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000264986698 358816565 /nfs/dbraw/zinc/81/65/65/358816565.db2.gz SHASSKOEONYLFI-VIFPVBQESA-N 1 0 295.368 1.692 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000262448409 358824261 /nfs/dbraw/zinc/82/42/61/358824261.db2.gz ZDPAORJBJMJLFX-SECBINFHSA-N 1 0 281.312 1.331 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000128383052 366529233 /nfs/dbraw/zinc/52/92/33/366529233.db2.gz BQSBJADHANRWQC-CYBMUJFWSA-N 1 0 279.340 1.787 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435235858 359042713 /nfs/dbraw/zinc/04/27/13/359042713.db2.gz GGWOCCMWFAUHJP-CQSZACIVSA-N 1 0 289.335 1.490 20 5 CDBDRO CC[C@H](C)[NH+]1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000451840841 359085113 /nfs/dbraw/zinc/08/51/13/359085113.db2.gz KZOTUDMFBSEZMN-NSHDSACASA-N 1 0 281.360 1.244 20 5 CDBDRO COCC[N@H+](C)CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134244463 359140521 /nfs/dbraw/zinc/14/05/21/359140521.db2.gz PFKXZSNZXJTSQB-UHFFFAOYSA-N 1 0 299.302 1.042 20 5 CDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000050015903 359275484 /nfs/dbraw/zinc/27/54/84/359275484.db2.gz NOOCYRKEIOSVQG-LLVKDONJSA-N 1 0 263.297 1.211 20 5 CDBDRO C[C@H](Nc1ccc([N+](=O)[O-])nc1)[C@H]1CCC[NH2+]C1 ZINC000050163711 359352534 /nfs/dbraw/zinc/35/25/34/359352534.db2.gz SRXHFUMHIGMGDH-UWVGGRQHSA-N 1 0 250.302 1.790 20 5 CDBDRO COc1cc(C[NH2+]CCC(C)(C)O)c([N+](=O)[O-])cc1O ZINC000274772489 192767776 /nfs/dbraw/zinc/76/77/76/192767776.db2.gz SINBSRLDBSNCJL-UHFFFAOYSA-N 1 0 284.312 1.560 20 5 CDBDRO COc1ccc(CN2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261787276 359399389 /nfs/dbraw/zinc/39/93/89/359399389.db2.gz QCSVCNSEIZSKNW-CQSZACIVSA-N 1 0 279.340 1.774 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000050246098 359407766 /nfs/dbraw/zinc/40/77/66/359407766.db2.gz QVNCWFLWONEEDP-SNVBAGLBSA-N 1 0 263.297 1.324 20 5 CDBDRO [NH3+]CCNc1c(Br)cncc1[N+](=O)[O-] ZINC000236267348 283439588 /nfs/dbraw/zinc/43/95/88/283439588.db2.gz WEAUOMAKOOOCPP-UHFFFAOYSA-N 1 0 261.079 1.123 20 5 CDBDRO Cc1nc(N(C)CCC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000296754902 199987238 /nfs/dbraw/zinc/98/72/38/199987238.db2.gz LBBYEMMEGMAVPW-UHFFFAOYSA-N 1 0 279.344 1.615 20 5 CDBDRO Cc1ccc(NCCCNC(=O)C[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000340184820 359585889 /nfs/dbraw/zinc/58/58/89/359585889.db2.gz KAZVRBSZCHWSOP-LLVKDONJSA-N 1 0 294.355 1.559 20 5 CDBDRO Cc1nc(N(C)C[C@@H]2CCC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC000297045748 200070147 /nfs/dbraw/zinc/07/01/47/200070147.db2.gz IBZAECOALHJZLK-LLVKDONJSA-N 1 0 279.344 1.471 20 5 CDBDRO Cc1nc(NC[C@]2([NH+](C)C)CCSC2)ncc1[N+](=O)[O-] ZINC000297386488 200172446 /nfs/dbraw/zinc/17/24/46/200172446.db2.gz DUJFTZQLVHGSKE-GFCCVEGCSA-N 1 0 297.384 1.542 20 5 CDBDRO C[NH2+]CCNc1ccc([N+](=O)[O-])cc1Br ZINC000054244737 360001655 /nfs/dbraw/zinc/00/16/55/360001655.db2.gz JGKLVQUAGOLNKL-UHFFFAOYSA-N 1 0 274.118 1.989 20 5 CDBDRO C[N@H+](CC[C@H]1CCNC1=O)Cc1ccccc1[N+](=O)[O-] ZINC000562479210 360003741 /nfs/dbraw/zinc/00/37/41/360003741.db2.gz WCZUDTODQNXKQX-LLVKDONJSA-N 1 0 277.324 1.553 20 5 CDBDRO Cc1cccc(C(=O)NCC[NH2+]C2CC2)c1[N+](=O)[O-] ZINC000054265565 360065862 /nfs/dbraw/zinc/06/58/62/360065862.db2.gz NVWAXAHTUGYSGQ-UHFFFAOYSA-N 1 0 263.297 1.385 20 5 CDBDRO Cc1nc(N[C@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000382409630 360293202 /nfs/dbraw/zinc/29/32/02/360293202.db2.gz DAIOBTRBPOHIQH-UWVGGRQHSA-N 1 0 250.302 1.980 20 5 CDBDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000177440851 189051858 /nfs/dbraw/zinc/05/18/58/189051858.db2.gz GQONRJFWACEFAC-CQSZACIVSA-N 1 0 278.308 1.980 20 5 CDBDRO Cc1ccc(NC(=O)C[NH2+]C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000232740258 360665437 /nfs/dbraw/zinc/66/54/37/360665437.db2.gz AGSSLXFNDQFKHK-GFCCVEGCSA-N 1 0 293.323 1.610 20 5 CDBDRO CC(=O)N1CC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000572542197 361144603 /nfs/dbraw/zinc/14/46/03/361144603.db2.gz WROXDFHMQAGIGH-HNNXBMFYSA-N 1 0 289.335 1.793 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000313641554 361243804 /nfs/dbraw/zinc/24/38/04/361243804.db2.gz IDZCUDGFUGPZOC-WDDYJBPVSA-N 1 0 277.324 1.852 20 5 CDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cn1 ZINC000301509256 201036401 /nfs/dbraw/zinc/03/64/01/201036401.db2.gz AVPVWFBOUPCEIW-ZYHUDNBSSA-N 1 0 264.329 1.766 20 5 CDBDRO CN(CC[NH+](C)C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000301757457 201180216 /nfs/dbraw/zinc/18/02/16/201180216.db2.gz ACFBYTUNIVKHOM-UHFFFAOYSA-N 1 0 259.256 1.871 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2COCCO2)c1 ZINC000037998093 361522471 /nfs/dbraw/zinc/52/24/71/361522471.db2.gz FMVGQQBHBJLJSL-LBPRGKRZSA-N 1 0 252.270 1.100 20 5 CDBDRO CN(C)CC[N@H+](C)CCCNc1ncc([N+](=O)[O-])s1 ZINC000288805393 239164311 /nfs/dbraw/zinc/16/43/11/239164311.db2.gz GHBDDVZOHXBKNM-UHFFFAOYSA-N 1 0 287.389 1.347 20 5 CDBDRO CC[NH+]1C[C@H](C)N(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000581617446 364006013 /nfs/dbraw/zinc/00/60/13/364006013.db2.gz SFZVNRADUFVAAY-IUCAKERBSA-N 1 0 295.343 1.181 20 5 CDBDRO CCOc1ccc(C(=O)NC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000074533165 364439717 /nfs/dbraw/zinc/43/97/17/364439717.db2.gz ILGIWKKEOQFWOG-QMMMGPOBSA-N 1 0 267.285 1.071 20 5 CDBDRO CC1(C)CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000175443845 364419950 /nfs/dbraw/zinc/41/99/50/364419950.db2.gz DUKBCNVRNXLYLG-UHFFFAOYSA-N 1 0 277.324 1.348 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1C ZINC000345889776 364753917 /nfs/dbraw/zinc/75/39/17/364753917.db2.gz XTUKMFIMDQLRJM-ZJUUUORDSA-N 1 0 280.328 1.478 20 5 CDBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000268370196 364767501 /nfs/dbraw/zinc/76/75/01/364767501.db2.gz LZKSKOOPZLEXLB-NSHDSACASA-N 1 0 294.355 1.631 20 5 CDBDRO CCOCCN(C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000093314171 364777641 /nfs/dbraw/zinc/77/76/41/364777641.db2.gz PMJZJANAXRYZOG-NSHDSACASA-N 1 0 295.339 1.890 20 5 CDBDRO C[N@@H+]1CC[C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000545953356 364792678 /nfs/dbraw/zinc/79/26/78/364792678.db2.gz FLEFZPOUJHQBCM-SNVBAGLBSA-N 1 0 297.742 1.816 20 5 CDBDRO COc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)cc1[N+](=O)[O-] ZINC000168368485 364809013 /nfs/dbraw/zinc/80/90/13/364809013.db2.gz CLIFASQEWXSLJQ-PWSUYJOCSA-N 1 0 280.324 1.806 20 5 CDBDRO Cn1c(C(=O)NCC[N@@H+]2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000457077362 365374882 /nfs/dbraw/zinc/37/48/82/365374882.db2.gz PNASGUUYQRQERR-UHFFFAOYSA-N 1 0 294.355 1.538 20 5 CDBDRO Cc1ccc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)cc1[N+](=O)[O-] ZINC000090023476 367008542 /nfs/dbraw/zinc/00/85/42/367008542.db2.gz OSZBYGQNRDPITK-NSHDSACASA-N 1 0 291.307 1.140 20 5 CDBDRO [NH3+]C[C@H](NCc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000414798489 241394627 /nfs/dbraw/zinc/39/46/27/241394627.db2.gz JIWHYUHXJQHTBO-LBPRGKRZSA-N 1 0 253.277 1.561 20 5 CDBDRO [NH3+]CC[C@@H](NCc1csc([N+](=O)[O-])c1)C(F)F ZINC000414988553 241503060 /nfs/dbraw/zinc/50/30/60/241503060.db2.gz LBIXXJGVRZUYEV-SSDOTTSWSA-N 1 0 265.285 1.728 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)C[NH3+] ZINC000415504261 241706643 /nfs/dbraw/zinc/70/66/43/241706643.db2.gz PHVVNTQCGKYCRC-MRVPVSSYSA-N 1 0 252.274 1.372 20 5 CDBDRO C[C@@H](NC(=O)N1CC[C@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417128346 242330256 /nfs/dbraw/zinc/33/02/56/242330256.db2.gz IFEGHJLGNRGDLP-GHMZBOCLSA-N 1 0 292.339 1.646 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000418463383 243107320 /nfs/dbraw/zinc/10/73/20/243107320.db2.gz DAOUDNLXQUDMLR-NSHDSACASA-N 1 0 294.355 1.374 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000089091439 368828261 /nfs/dbraw/zinc/82/82/61/368828261.db2.gz KMHVDCRDACQAFO-KCJUWKMLSA-N 1 0 281.287 1.591 20 5 CDBDRO COC(=O)c1cnc(N[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420234851 243957289 /nfs/dbraw/zinc/95/72/89/243957289.db2.gz HTLKUKPSCXPENQ-VHSXEESVSA-N 1 0 294.311 1.458 20 5 CDBDRO CNC(=O)CC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000170781927 369051719 /nfs/dbraw/zinc/05/17/19/369051719.db2.gz LKSUKSBJNJMOAN-UHFFFAOYSA-N 1 0 281.312 1.042 20 5 CDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1ncccc1[N+](=O)[O-] ZINC000420291517 244032499 /nfs/dbraw/zinc/03/24/99/244032499.db2.gz VQZZSYGNCSXJOW-GJYTXDDASA-N 1 0 262.313 1.918 20 5 CDBDRO C[C@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000420638318 244302537 /nfs/dbraw/zinc/30/25/37/244302537.db2.gz OPVDOSAOYNOQMP-SECBINFHSA-N 1 0 280.328 1.303 20 5 CDBDRO COc1cc(CN2CC[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000330925298 203394205 /nfs/dbraw/zinc/39/42/05/203394205.db2.gz GZGZAFSEKMYEHE-JTQLQIEISA-N 1 0 297.330 1.878 20 5 CDBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000037668560 369785195 /nfs/dbraw/zinc/78/51/95/369785195.db2.gz PJEXFLSTTMBRLU-NSHDSACASA-N 1 0 277.324 1.695 20 5 CDBDRO C[C@H](CNc1ccc([N+](=O)[O-])c2nonc21)[NH+](C)C ZINC000037988046 370098445 /nfs/dbraw/zinc/09/84/45/370098445.db2.gz UWUVWYIVFUFYCD-SSDOTTSWSA-N 1 0 265.273 1.493 20 5 CDBDRO O=[N+]([O-])c1cc(CNCC[C@H]2CCC[NH2+]2)cs1 ZINC000414913407 371097710 /nfs/dbraw/zinc/09/77/10/371097710.db2.gz ZRVKFZKAIRWXKF-SNVBAGLBSA-N 1 0 255.343 1.888 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368337029 373323176 /nfs/dbraw/zinc/32/31/76/373323176.db2.gz SCEUDFCQSBEJOZ-GDNZZTSVSA-N 1 0 278.308 1.144 20 5 CDBDRO CC(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000298386524 373516329 /nfs/dbraw/zinc/51/63/29/373516329.db2.gz CQHFRLGFSJMNEL-UHFFFAOYSA-N 1 0 291.311 1.661 20 5 CDBDRO C[N@@H+]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153507777 373694378 /nfs/dbraw/zinc/69/43/78/373694378.db2.gz MBNPNMMDKTWTNB-UHFFFAOYSA-N 1 0 270.720 1.785 20 5 CDBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1[N+](=O)[O-] ZINC000368373153 373832447 /nfs/dbraw/zinc/83/24/47/373832447.db2.gz FFUCLCDEEHYEPZ-GFCCVEGCSA-N 1 0 293.298 1.606 20 5 CDBDRO CCc1nn(C)c(NCC2=CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000274025603 374071877 /nfs/dbraw/zinc/07/18/77/374071877.db2.gz WLJCNUNLTFHXFE-UHFFFAOYSA-N 1 0 279.344 1.565 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423730254 246009324 /nfs/dbraw/zinc/00/93/24/246009324.db2.gz WEBFMRGHTMHYCG-LLVKDONJSA-N 1 0 291.351 1.941 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C[NH+](C)C)C1 ZINC000113513335 374261520 /nfs/dbraw/zinc/26/15/20/374261520.db2.gz ZRXLBPFPCCFLHL-LBPRGKRZSA-N 1 0 293.367 1.987 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000312149086 374278453 /nfs/dbraw/zinc/27/84/53/374278453.db2.gz UYXGBYXTKNUPNT-ZHRWSRJISA-N 1 0 275.308 1.428 20 5 CDBDRO Cc1cc(N2CC[C@@H]([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420145668 374287620 /nfs/dbraw/zinc/28/76/20/374287620.db2.gz ORIWLSQJZLMYNY-GFCCVEGCSA-N 1 0 299.334 1.898 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN[C@@H](C[NH3+])C1CCCCC1 ZINC000420376674 374293716 /nfs/dbraw/zinc/29/37/16/374293716.db2.gz VJZLMYWUHUDEPU-NSHDSACASA-N 1 0 281.360 1.326 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000368588239 374319397 /nfs/dbraw/zinc/31/93/97/374319397.db2.gz DFFRFEJGVBLZHP-MFKMUULPSA-N 1 0 290.323 1.156 20 5 CDBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1csc([N+](=O)[O-])c1 ZINC000368645770 374321505 /nfs/dbraw/zinc/32/15/05/374321505.db2.gz HKAFETCVTZVGMN-SECBINFHSA-N 1 0 281.337 1.528 20 5 CDBDRO C[NH2+]CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000422788460 374360800 /nfs/dbraw/zinc/36/08/00/374360800.db2.gz VLFLTKRPPACIAT-UHFFFAOYSA-N 1 0 265.313 1.667 20 5 CDBDRO [NH3+]CC1(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000422960367 374364384 /nfs/dbraw/zinc/36/43/84/374364384.db2.gz WBMCCKVVTAPYHA-UHFFFAOYSA-N 1 0 275.308 1.613 20 5 CDBDRO CNC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116273799 374462833 /nfs/dbraw/zinc/46/28/33/374462833.db2.gz OCSKMANTTWFGLV-NSHDSACASA-N 1 0 297.742 1.959 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426457691 374468585 /nfs/dbraw/zinc/46/85/85/374468585.db2.gz YVCWGLXCFAXWNH-VHSXEESVSA-N 1 0 250.302 1.703 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1(CO)CCC1 ZINC000429253963 374577318 /nfs/dbraw/zinc/57/73/18/374577318.db2.gz CUMYLMSERFGBNX-UHFFFAOYSA-N 1 0 280.324 1.950 20 5 CDBDRO Cc1n[nH]c(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000424084234 246326624 /nfs/dbraw/zinc/32/66/24/246326624.db2.gz YPPYBUKFTDOABF-NRPADANISA-N 1 0 295.343 1.072 20 5 CDBDRO Cc1sc(C(=O)NC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000429137421 374569617 /nfs/dbraw/zinc/56/96/17/374569617.db2.gz TZBMCLSTTDVNRC-MRVPVSSYSA-N 1 0 271.342 1.678 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000377493420 374604674 /nfs/dbraw/zinc/60/46/74/374604674.db2.gz LMNPVJXTPPGBEH-LBPRGKRZSA-N 1 0 264.329 1.913 20 5 CDBDRO C[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000429888420 374617870 /nfs/dbraw/zinc/61/78/70/374617870.db2.gz SCRLHIODVQGIBA-LLVKDONJSA-N 1 0 293.367 1.939 20 5 CDBDRO C[C@@H]([NH2+][C@H]1COC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000463152398 374671924 /nfs/dbraw/zinc/67/19/24/374671924.db2.gz SDBALAKOYFRCHE-JFUSQASVSA-N 1 0 252.270 1.005 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000274496127 374675270 /nfs/dbraw/zinc/67/52/70/374675270.db2.gz QLEGOOHJJNRGFA-DCAQKATOSA-N 1 0 266.297 1.083 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H](CO)C1 ZINC000092763345 374701508 /nfs/dbraw/zinc/70/15/08/374701508.db2.gz NHGOUUOXSARHRP-PYEVWLCESA-N 1 0 262.309 1.922 20 5 CDBDRO C[C@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000154771313 374749053 /nfs/dbraw/zinc/74/90/53/374749053.db2.gz BGUCFJQLXIYTTH-ONGXEEELSA-N 1 0 266.301 1.121 20 5 CDBDRO CCOCC[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000093312519 374740900 /nfs/dbraw/zinc/74/09/00/374740900.db2.gz XJTCTIOYZSHVBB-UHFFFAOYSA-N 1 0 268.313 1.942 20 5 CDBDRO CC(C)COC[C@@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037894561 374963477 /nfs/dbraw/zinc/96/34/77/374963477.db2.gz UUFOVJXQAHZIQR-AWEZNQCLSA-N 1 0 282.340 1.718 20 5 CDBDRO C[C@]1(O)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000279960498 374978884 /nfs/dbraw/zinc/97/88/84/374978884.db2.gz HCHNXRUOMZYQEV-LBPRGKRZSA-N 1 0 268.317 1.028 20 5 CDBDRO Cc1cnn(CC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000332129965 375006709 /nfs/dbraw/zinc/00/67/09/375006709.db2.gz GSXPLRKCNBUSES-UHFFFAOYSA-N 1 0 287.323 1.553 20 5 CDBDRO COCC[C@H](CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000282212174 375070872 /nfs/dbraw/zinc/07/08/72/375070872.db2.gz MCYMDHXWDHGJTC-GFCCVEGCSA-N 1 0 268.313 1.390 20 5 CDBDRO Cc1ccc(C[NH2+]CC2([S@](C)=O)CC2)cc1[N+](=O)[O-] ZINC000282499228 375091032 /nfs/dbraw/zinc/09/10/32/375091032.db2.gz WNTDRITWXCUCJO-IBGZPJMESA-N 1 0 282.365 1.904 20 5 CDBDRO CC1(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000129439760 375563170 /nfs/dbraw/zinc/56/31/70/375563170.db2.gz ZTVKYRRGVRHGRF-UHFFFAOYSA-N 1 0 292.339 1.495 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000132750520 375583875 /nfs/dbraw/zinc/58/38/75/375583875.db2.gz LPMMYAVARDKJCV-PELKAZGASA-N 1 0 281.287 1.543 20 5 CDBDRO COc1ccc(CNC(=O)C[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000427348837 247129184 /nfs/dbraw/zinc/12/91/84/247129184.db2.gz XRXOJKJAHGJMKH-LLVKDONJSA-N 1 0 293.323 1.219 20 5 CDBDRO Cc1n[nH]c(C(=O)NCC2([NH3+])CCCCCC2)c1[N+](=O)[O-] ZINC000428583647 247329175 /nfs/dbraw/zinc/32/91/75/247329175.db2.gz SWUSRMCKWRHQGQ-UHFFFAOYSA-N 1 0 295.343 1.408 20 5 CDBDRO Cc1cc(N2CC[C@H](C[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000266798900 375835893 /nfs/dbraw/zinc/83/58/93/375835893.db2.gz BIBPKBRCBUFYIL-LLVKDONJSA-N 1 0 264.329 1.686 20 5 CDBDRO COc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000194733008 375958110 /nfs/dbraw/zinc/95/81/10/375958110.db2.gz CWKBZRPZCOADMA-LLVKDONJSA-N 1 0 293.323 1.427 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000307895832 375937826 /nfs/dbraw/zinc/93/78/26/375937826.db2.gz INMVWAJNEPJKSH-LLVKDONJSA-N 1 0 278.312 1.857 20 5 CDBDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000219065234 375944703 /nfs/dbraw/zinc/94/47/03/375944703.db2.gz IQPAOXVUQXKRPY-JOYOIKCWSA-N 1 0 270.354 1.797 20 5 CDBDRO C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1CO ZINC000249004350 376115952 /nfs/dbraw/zinc/11/59/52/376115952.db2.gz ZFTZLXHMFAOFCA-RISCZKNCSA-N 1 0 280.324 1.676 20 5 CDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[NH2+]CC1 ZINC000430921658 247723579 /nfs/dbraw/zinc/72/35/79/247723579.db2.gz UOJWMRQMXFDBTG-NSHDSACASA-N 1 0 292.339 1.217 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](O)C23CCCC3)c1 ZINC000433295790 248019654 /nfs/dbraw/zinc/01/96/54/248019654.db2.gz FSXKEBNQASXCBQ-LBPRGKRZSA-N 1 0 280.328 1.171 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261794015 284667519 /nfs/dbraw/zinc/66/75/19/284667519.db2.gz QRVWYWMYHSLTIZ-CQSZACIVSA-N 1 0 275.308 1.420 20 5 CDBDRO CCOC[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173439374 378399249 /nfs/dbraw/zinc/39/92/49/378399249.db2.gz BVXIWJNCPLVTRT-MFKMUULPSA-N 1 0 268.313 1.643 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351746831 378619251 /nfs/dbraw/zinc/61/92/51/378619251.db2.gz HJBAAWGGUWOEEC-SCZZXKLOSA-N 1 0 278.312 1.108 20 5 CDBDRO CC[N@H+](CCNc1ncc([N+](=O)[O-])s1)C(C)C ZINC000443519731 250037913 /nfs/dbraw/zinc/03/79/13/250037913.db2.gz WVGIMHTWLTYKAC-UHFFFAOYSA-N 1 0 258.347 1.615 20 5 CDBDRO CC[C@@H](NC(=O)[C@H]1CC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000444211195 250102720 /nfs/dbraw/zinc/10/27/20/250102720.db2.gz JOPFRFXJOGQQDZ-VXGBXAGGSA-N 1 0 263.297 1.524 20 5 CDBDRO O=CN1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000278741303 194133160 /nfs/dbraw/zinc/13/31/60/194133160.db2.gz NHYBIQFMXSRTJV-UHFFFAOYSA-N 1 0 277.324 1.348 20 5 CDBDRO Cc1c(C[NH2+]Cc2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000041159881 379340656 /nfs/dbraw/zinc/34/06/56/379340656.db2.gz MRRSTTVPRSFINY-UHFFFAOYSA-N 1 0 260.297 1.927 20 5 CDBDRO C[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1C ZINC000246118658 379424064 /nfs/dbraw/zinc/42/40/64/379424064.db2.gz CSZXWNOYANGEHE-QWRGUYRKSA-N 1 0 252.318 1.912 20 5 CDBDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000246538030 379606579 /nfs/dbraw/zinc/60/65/79/379606579.db2.gz BFCRSODXYBCXOG-OXHZDVMGSA-N 1 0 296.371 1.567 20 5 CDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]1 ZINC000493044181 253354800 /nfs/dbraw/zinc/35/48/00/253354800.db2.gz GWFTVJCQPBJLGS-FVOPLDGLSA-N 1 0 293.298 1.615 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289234406 197270546 /nfs/dbraw/zinc/27/05/46/197270546.db2.gz MHIFXLGJANBBQA-OAHLLOKOSA-N 1 0 289.335 1.811 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2(O)CCC2)n1 ZINC000447535635 285168090 /nfs/dbraw/zinc/16/80/90/285168090.db2.gz HLSYFAGSMRIBCE-NWDGAFQWSA-N 1 0 294.355 1.780 20 5 CDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ncc([N+](=O)[O-])cc1F ZINC000413132600 413018699 /nfs/dbraw/zinc/01/86/99/413018699.db2.gz JAECYLIZMFJXMF-SNVBAGLBSA-N 1 0 297.334 1.177 20 5 CDBDRO COC[C@@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000281318273 195195029 /nfs/dbraw/zinc/19/50/29/195195029.db2.gz ZQEKADIONWVNMK-GHMZBOCLSA-N 1 0 268.313 1.561 20 5 CDBDRO C[C@H]1CCSCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000286036699 390190305 /nfs/dbraw/zinc/19/03/05/390190305.db2.gz IBXYADWFBHHLLO-JTQLQIEISA-N 1 0 270.358 1.619 20 5 CDBDRO CC1(C)CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000175395983 390231089 /nfs/dbraw/zinc/23/10/89/390231089.db2.gz GKRHLVNBKPHCHD-VOTSOKGWSA-N 1 0 289.335 1.818 20 5 CDBDRO Cc1cc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000360082928 390247054 /nfs/dbraw/zinc/24/70/54/390247054.db2.gz NRYLHVBEQYFVBJ-UONOGXRCSA-N 1 0 295.314 1.562 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000320759951 390508665 /nfs/dbraw/zinc/50/86/65/390508665.db2.gz XBZWVUKKJXOCGG-ZJUUUORDSA-N 1 0 265.313 1.379 20 5 CDBDRO CC1(C)CCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cn1 ZINC000450952014 390582871 /nfs/dbraw/zinc/58/28/71/390582871.db2.gz RCRAYCSPGJGHHV-UHFFFAOYSA-N 1 0 265.317 1.093 20 5 CDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]([NH3+])C1 ZINC000021515416 391010349 /nfs/dbraw/zinc/01/03/49/391010349.db2.gz FFLJHFIAEKFOGP-SNVBAGLBSA-N 1 0 299.352 1.015 20 5 CDBDRO Nc1ccc(N2CC[NH+](C3CCCC3)CC2)nc1[N+](=O)[O-] ZINC000313872153 391076719 /nfs/dbraw/zinc/07/67/19/391076719.db2.gz LVQNPPPRCUPJOK-UHFFFAOYSA-N 1 0 291.355 1.637 20 5 CDBDRO C[C@@H]1CC[N@H+](C)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000413143189 391165696 /nfs/dbraw/zinc/16/56/96/391165696.db2.gz RRAWQMRRKLYUOJ-SECBINFHSA-N 1 0 268.292 1.659 20 5 CDBDRO Cc1cc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000408068501 391239060 /nfs/dbraw/zinc/23/90/60/391239060.db2.gz VPXNXCQLXICPAZ-MNOVXSKESA-N 1 0 264.329 1.827 20 5 CDBDRO O=[N+]([O-])c1cc(CNC[C@H]2C[NH2+]CCCO2)cs1 ZINC000415040464 391248800 /nfs/dbraw/zinc/24/88/00/391248800.db2.gz OJKPMKNNABGMKB-SNVBAGLBSA-N 1 0 271.342 1.124 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000415417800 391407021 /nfs/dbraw/zinc/40/70/21/391407021.db2.gz NFNVHSQARRSFSH-NSHDSACASA-N 1 0 278.312 1.729 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC[NH3+] ZINC000415496808 391467691 /nfs/dbraw/zinc/46/76/91/391467691.db2.gz HBBVCLXWKBPEKC-UHFFFAOYSA-N 1 0 252.274 1.326 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415630339 391469448 /nfs/dbraw/zinc/46/94/48/391469448.db2.gz KPYQYVLPTPMPNW-SECBINFHSA-N 1 0 282.275 1.607 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000415627858 391469613 /nfs/dbraw/zinc/46/96/13/391469613.db2.gz CZHAAQFCQNDILN-SCZZXKLOSA-N 1 0 296.302 1.996 20 5 CDBDRO Cc1cc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000292635297 391631963 /nfs/dbraw/zinc/63/19/63/391631963.db2.gz AJUWAPAFJOSFNM-PHIMTYICSA-N 1 0 264.329 1.827 20 5 CDBDRO C[C@@H](CCC1CC1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000398139085 391640163 /nfs/dbraw/zinc/64/01/63/391640163.db2.gz NLUSXPNFOATQOI-GXFFZTMASA-N 1 0 282.344 1.321 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000519629748 391747611 /nfs/dbraw/zinc/74/76/11/391747611.db2.gz KLDINHGBXWBOBP-VIFPVBQESA-N 1 0 268.292 1.883 20 5 CDBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCCS(=O)(=O)C2)c1 ZINC000341894708 130136656 /nfs/dbraw/zinc/13/66/56/130136656.db2.gz FGPYHGHRBRQBJR-GFCCVEGCSA-N 1 0 298.364 1.304 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000574179272 391768955 /nfs/dbraw/zinc/76/89/55/391768955.db2.gz DPFPMDFALWJGQQ-WDEREUQCSA-N 1 0 292.339 1.487 20 5 CDBDRO [NH3+]C1(CNCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1 ZINC000342091857 130306202 /nfs/dbraw/zinc/30/62/02/130306202.db2.gz CXXKWIGTIPZZLC-UHFFFAOYSA-N 1 0 278.312 1.004 20 5 CDBDRO [NH3+]C1(CNCc2nc3cc([N+](=O)[O-])ccc3o2)CCC1 ZINC000342143456 130334308 /nfs/dbraw/zinc/33/43/08/130334308.db2.gz TYVICQUFTDGJSB-UHFFFAOYSA-N 1 0 276.296 1.707 20 5 CDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000574205306 391874314 /nfs/dbraw/zinc/87/43/14/391874314.db2.gz YRSBYBLXXUVECM-SNVBAGLBSA-N 1 0 280.328 1.147 20 5 CDBDRO CC[N@@H+]1CCCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000265110693 391899031 /nfs/dbraw/zinc/89/90/31/391899031.db2.gz HLYXEPYXBPMJOY-UHFFFAOYSA-N 1 0 267.333 1.169 20 5 CDBDRO [NH3+]C1(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000237788043 131057746 /nfs/dbraw/zinc/05/77/46/131057746.db2.gz BMMUTGWJGINZAK-UHFFFAOYSA-N 1 0 277.324 1.525 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000238038098 131074041 /nfs/dbraw/zinc/07/40/41/131074041.db2.gz BQICJHHYZSKRQW-LLVKDONJSA-N 1 0 295.364 1.637 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261806094 131169816 /nfs/dbraw/zinc/16/98/16/131169816.db2.gz ZHAPZFGPRKOEFF-RNCFNFMXSA-N 1 0 293.298 1.558 20 5 CDBDRO Nc1c(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000262612050 131241845 /nfs/dbraw/zinc/24/18/45/131241845.db2.gz FKKFJVYCMJNDQI-GXSJLCMTSA-N 1 0 292.339 1.424 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000262979618 131277744 /nfs/dbraw/zinc/27/77/44/131277744.db2.gz YNZFPVJZXGNCTB-MNOVXSKESA-N 1 0 293.323 1.230 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(CO)CCSCC2)cc1 ZINC000459720060 392501202 /nfs/dbraw/zinc/50/12/02/392501202.db2.gz WTPAWCOBAMVPPB-UHFFFAOYSA-N 1 0 296.392 1.985 20 5 CDBDRO C[C@H]1CC[N@H+](C)CCN1c1ncc([N+](=O)[O-])s1 ZINC000443508918 392584225 /nfs/dbraw/zinc/58/42/25/392584225.db2.gz HPIOELBIMLAJRI-QMMMGPOBSA-N 1 0 256.331 1.582 20 5 CDBDRO C[C@H]1C[C@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000488570208 392697880 /nfs/dbraw/zinc/69/78/80/392697880.db2.gz CYMYJSNRUVTBEG-QWRGUYRKSA-N 1 0 298.364 1.614 20 5 CDBDRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000419812896 392897557 /nfs/dbraw/zinc/89/75/57/392897557.db2.gz IJMQNAFAESFMSV-WCQYABFASA-N 1 0 298.339 1.215 20 5 CDBDRO Cc1nc(N[C@H]2CCCC[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000420206630 392903571 /nfs/dbraw/zinc/90/35/71/392903571.db2.gz STGVXXZRINLQAQ-UWVGGRQHSA-N 1 0 265.317 1.623 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCCC[NH3+])c1 ZINC000420239209 392911624 /nfs/dbraw/zinc/91/16/24/392911624.db2.gz SFGPAKJRXIHJPA-UHFFFAOYSA-N 1 0 267.285 1.532 20 5 CDBDRO C[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[NH2+]1 ZINC000420237235 392912025 /nfs/dbraw/zinc/91/20/25/392912025.db2.gz LBHBBBPUSDPRLP-VIFPVBQESA-N 1 0 262.313 1.361 20 5 CDBDRO O=c1c([N+](=O)[O-])cc(Cl)cn1CC[C@@H]1CCC[NH2+]C1 ZINC000521619569 392869052 /nfs/dbraw/zinc/86/90/52/392869052.db2.gz BNRAMZXICWYORF-VIFPVBQESA-N 1 0 285.731 1.800 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1N1CCC[NH2+]CC1)CCN2 ZINC000521988159 392871842 /nfs/dbraw/zinc/87/18/42/392871842.db2.gz WBQPWPVASSUXSV-UHFFFAOYSA-N 1 0 262.313 1.363 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000269123288 132116033 /nfs/dbraw/zinc/11/60/33/132116033.db2.gz KTEYEXZEGADMFI-JTQLQIEISA-N 1 0 292.339 1.095 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000269253391 132143524 /nfs/dbraw/zinc/14/35/24/132143524.db2.gz GYFRUHLTKGCAOA-LLVKDONJSA-N 1 0 295.339 1.463 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000269308934 132153260 /nfs/dbraw/zinc/15/32/60/132153260.db2.gz ZYZVRZTVHOEZDV-SNVBAGLBSA-N 1 0 280.328 1.106 20 5 CDBDRO Cc1c(CC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000423587159 392964175 /nfs/dbraw/zinc/96/41/75/392964175.db2.gz FKBFUXLYVWPGLR-QWHCGFSZSA-N 1 0 291.351 1.832 20 5 CDBDRO COc1cccc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c1[N+](=O)[O-] ZINC000423589595 392964724 /nfs/dbraw/zinc/96/47/24/392964724.db2.gz AGPFZBRTLUMNGD-MWLCHTKSSA-N 1 0 293.323 1.474 20 5 CDBDRO Cc1c(CC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC000423585354 392964770 /nfs/dbraw/zinc/96/47/70/392964770.db2.gz BBDYOEFCZOPNJL-ZWNOBZJWSA-N 1 0 291.351 1.560 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000423620810 392965917 /nfs/dbraw/zinc/96/59/17/392965917.db2.gz WZIWTZNKUURHFC-PSASIEDQSA-N 1 0 278.312 1.047 20 5 CDBDRO COc1ccc(CNC(=O)C[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000429925284 393089243 /nfs/dbraw/zinc/08/92/43/393089243.db2.gz ZVLUFBDVMLVEOF-NSHDSACASA-N 1 0 293.323 1.362 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000430231311 393094816 /nfs/dbraw/zinc/09/48/16/393094816.db2.gz BOYFTCBOSPFIBI-STQMWFEESA-N 1 0 296.323 1.233 20 5 CDBDRO CC[C@@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430223684 393095211 /nfs/dbraw/zinc/09/52/11/393095211.db2.gz VKGDJSABGUMDCP-CQSZACIVSA-N 1 0 280.324 1.950 20 5 CDBDRO C[NH2+][C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430633726 393102332 /nfs/dbraw/zinc/10/23/32/393102332.db2.gz ANLYCXCFRVISNM-LLVKDONJSA-N 1 0 292.339 1.217 20 5 CDBDRO C[NH2+][C@H]1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000430596366 393102552 /nfs/dbraw/zinc/10/25/52/393102552.db2.gz WLNVCMAGHWTIEN-NSHDSACASA-N 1 0 292.339 1.135 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1CCO ZINC000426262905 393040374 /nfs/dbraw/zinc/04/03/74/393040374.db2.gz HUFFECOUGCHYAH-GFCCVEGCSA-N 1 0 280.324 1.820 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCC[C@H]1O ZINC000426218464 393040502 /nfs/dbraw/zinc/04/05/02/393040502.db2.gz DYGNFJHFUPAVEA-GHMZBOCLSA-N 1 0 268.317 1.027 20 5 CDBDRO CNc1ccc(C(=O)N2CC[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000530877319 393055620 /nfs/dbraw/zinc/05/56/20/393055620.db2.gz SLCDUQVBLPMYDD-UHFFFAOYSA-N 1 0 292.339 1.461 20 5 CDBDRO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1[NH3+] ZINC000430946808 393107729 /nfs/dbraw/zinc/10/77/29/393107729.db2.gz YBXPLCXQMPVOFD-MWLCHTKSSA-N 1 0 290.323 1.905 20 5 CDBDRO COC[C@H](CO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449298273 393133675 /nfs/dbraw/zinc/13/36/75/393133675.db2.gz JCNZNLCWALDGFL-JQWIXIFHSA-N 1 0 268.313 1.123 20 5 CDBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000334008566 393189042 /nfs/dbraw/zinc/18/90/42/393189042.db2.gz UZIXNTRLTLYMHT-UWVGGRQHSA-N 1 0 295.343 1.168 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000216206964 393209692 /nfs/dbraw/zinc/20/96/92/393209692.db2.gz VDOLNZDUOJZZHS-UWVGGRQHSA-N 1 0 265.313 1.777 20 5 CDBDRO COc1cccc(C(=O)NCC[NH2+]C(C)(C)C)c1[N+](=O)[O-] ZINC000193226017 393271944 /nfs/dbraw/zinc/27/19/44/393271944.db2.gz YOJAFSWSBQUXGP-UHFFFAOYSA-N 1 0 295.339 1.721 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000124860656 139799674 /nfs/dbraw/zinc/79/96/74/139799674.db2.gz SFWHNSPYLRXVFR-UHFFFAOYSA-N 1 0 265.313 1.205 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261596523 296501632 /nfs/dbraw/zinc/50/16/32/296501632.db2.gz AHEQAIFBZRWVRV-GFCCVEGCSA-N 1 0 294.330 1.218 20 5 CDBDRO Cc1cc(F)cc(C(=O)NCC2=CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000186334504 140059113 /nfs/dbraw/zinc/05/91/13/140059113.db2.gz PQEIQOMDBFJYSU-UHFFFAOYSA-N 1 0 293.298 1.692 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1([NH3+])CCC1 ZINC000230053425 140206687 /nfs/dbraw/zinc/20/66/87/140206687.db2.gz GBSRUOOEIMPSOH-UHFFFAOYSA-N 1 0 299.352 1.063 20 5 CDBDRO Cc1c(CNC(=O)CC[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000231857043 140219833 /nfs/dbraw/zinc/21/98/33/140219833.db2.gz FAEGZYWLPJVWBA-LBPRGKRZSA-N 1 0 291.351 1.909 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235671836 140236758 /nfs/dbraw/zinc/23/67/58/140236758.db2.gz FYIQQIYCFYPXKY-ONGXEEELSA-N 1 0 278.312 1.857 20 5 CDBDRO [NH3+]C[C@@H](Nc1ccc([N+](=O)[O-])cn1)C1CCCC1 ZINC000236162689 140239451 /nfs/dbraw/zinc/23/94/51/140239451.db2.gz RJJJWJGEVWLHEK-LLVKDONJSA-N 1 0 250.302 1.919 20 5 CDBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000236909105 140248294 /nfs/dbraw/zinc/24/82/94/140248294.db2.gz RXUVXBGLXIZDDD-YGRLFVJLSA-N 1 0 291.351 1.853 20 5 CDBDRO Cc1ccnc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000252675282 140323034 /nfs/dbraw/zinc/32/30/34/140323034.db2.gz ZELXOTZYJFOEAR-NWDGAFQWSA-N 1 0 292.339 1.573 20 5 CDBDRO [NH3+]C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261582858 140356088 /nfs/dbraw/zinc/35/60/88/140356088.db2.gz RLGLASGHLAZPIA-SECBINFHSA-N 1 0 253.277 1.515 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000261609725 140363719 /nfs/dbraw/zinc/36/37/19/140363719.db2.gz APCSJGNRXIVNCP-MNOVXSKESA-N 1 0 293.323 1.169 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000261621058 140364338 /nfs/dbraw/zinc/36/43/38/140364338.db2.gz GKERLTIHJCQYOI-QWHCGFSZSA-N 1 0 289.335 1.585 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261649965 140370328 /nfs/dbraw/zinc/37/03/28/140370328.db2.gz JPNAOSRGXMKXSM-GWCFXTLKSA-N 1 0 290.323 1.811 20 5 CDBDRO COc1cc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000261800495 140389736 /nfs/dbraw/zinc/38/97/36/140389736.db2.gz RHARUHHBPSRILJ-PWSUYJOCSA-N 1 0 277.324 1.792 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000261815342 140393981 /nfs/dbraw/zinc/39/39/81/140393981.db2.gz XHTSCPQNCQSYRI-WDEREUQCSA-N 1 0 290.323 1.668 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261818659 140394267 /nfs/dbraw/zinc/39/42/67/140394267.db2.gz TWRXIJAOVUJKLU-QWRGUYRKSA-N 1 0 275.308 1.276 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]C[C@@H]1C ZINC000261893538 140405229 /nfs/dbraw/zinc/40/52/29/140405229.db2.gz UIRSFYCLBIGQFA-NSHDSACASA-N 1 0 292.339 1.135 20 5 CDBDRO CN(CC(C)(C)C[NH3+])c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000093874696 147071673 /nfs/dbraw/zinc/07/16/73/147071673.db2.gz WTUIRLWTEHBCRB-UHFFFAOYSA-N 1 0 280.328 1.115 20 5 CDBDRO COc1cc(N2CC[C@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000127388871 147554004 /nfs/dbraw/zinc/55/40/04/147554004.db2.gz QSJAATWLPGYZDA-UWVGGRQHSA-N 1 0 265.313 1.777 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352660324 155330494 /nfs/dbraw/zinc/33/04/94/155330494.db2.gz NHQMLXIJPHXBOW-STQMWFEESA-N 1 0 280.324 1.949 20 5 CDBDRO C[C@@H]1[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343422220 152167139 /nfs/dbraw/zinc/16/71/39/152167139.db2.gz CFOOSGLPSZIXPX-SCZZXKLOSA-N 1 0 283.353 1.869 20 5 CDBDRO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)CCC[N@@H+]1C ZINC000343561359 152225546 /nfs/dbraw/zinc/22/55/46/152225546.db2.gz QAFCSVZZOWIHAN-DTWKUNHWSA-N 1 0 267.285 1.400 20 5 CDBDRO CC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000343599323 152239157 /nfs/dbraw/zinc/23/91/57/152239157.db2.gz VINVOTPGIIHMMT-NWDGAFQWSA-N 1 0 284.360 1.567 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000349917604 154271526 /nfs/dbraw/zinc/27/15/26/154271526.db2.gz SUUMUMZLWXPJEC-MRVPVSSYSA-N 1 0 277.280 1.808 20 5 CDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000359220404 158168491 /nfs/dbraw/zinc/16/84/91/158168491.db2.gz QJGRNKUWBVCBCL-AWEZNQCLSA-N 1 0 291.351 1.738 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359461396 158254923 /nfs/dbraw/zinc/25/49/23/158254923.db2.gz YRMQHQBJYUUGFI-STQMWFEESA-N 1 0 261.325 1.554 20 5 CDBDRO O=C1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)[C@@H]2CCCCN12 ZINC000376588520 160489994 /nfs/dbraw/zinc/48/99/94/160489994.db2.gz CRSWZDZYRAKSRS-KBPBESRZSA-N 1 0 289.335 1.838 20 5 CDBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000362072108 159059514 /nfs/dbraw/zinc/05/95/14/159059514.db2.gz KORGDFQEMLHZOP-JQWIXIFHSA-N 1 0 280.324 1.664 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCN2C(=O)OC[C@@H]2C1 ZINC000363870412 159348767 /nfs/dbraw/zinc/34/87/67/159348767.db2.gz VEYMRNAXPXEWPR-ZDUSSCGKSA-N 1 0 291.307 1.540 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000372345409 160108205 /nfs/dbraw/zinc/10/82/05/160108205.db2.gz GHZVSJJGPMOGEP-AAEUAGOBSA-N 1 0 280.328 1.376 20 5 CDBDRO C[C@@H](F)CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459509525 286902494 /nfs/dbraw/zinc/90/24/94/286902494.db2.gz MUIAUOGRDWRVAM-LLVKDONJSA-N 1 0 282.319 1.860 20 5 CDBDRO CC(C)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000284990592 196172458 /nfs/dbraw/zinc/17/24/58/196172458.db2.gz CHXWIBMBBAPFNI-UHFFFAOYSA-N 1 0 295.343 1.168 20 5 CDBDRO CC(C)[C@H](O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285101944 196197409 /nfs/dbraw/zinc/19/74/09/196197409.db2.gz KJBVLZHKFPLCKE-NOZJJQNGSA-N 1 0 267.329 1.845 20 5 CDBDRO CC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285274959 196238381 /nfs/dbraw/zinc/23/83/81/196238381.db2.gz QZVMAGPDIPXAAK-GXSJLCMTSA-N 1 0 267.329 1.989 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCCO2)cc1 ZINC000035677665 172348746 /nfs/dbraw/zinc/34/87/46/172348746.db2.gz YKHKXQKVJMRGGZ-ZDUSSCGKSA-N 1 0 250.298 1.906 20 5 CDBDRO C[C@H]([NH2+]CCC(C)(C)O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285351152 196257954 /nfs/dbraw/zinc/25/79/54/196257954.db2.gz VGFLRVINDZBHJJ-VIFPVBQESA-N 1 0 267.329 1.989 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC1CC[NH+](C)CC1 ZINC000037249988 173062472 /nfs/dbraw/zinc/06/24/72/173062472.db2.gz DXBDHQQZYUXRPL-UHFFFAOYSA-N 1 0 279.340 1.787 20 5 CDBDRO COC[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000038079336 174089104 /nfs/dbraw/zinc/08/91/04/174089104.db2.gz KEKZLUPTLZLFPV-JTQLQIEISA-N 1 0 254.286 1.598 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000040467574 174275370 /nfs/dbraw/zinc/27/53/70/174275370.db2.gz TZLFZXFDZDYMRZ-GFCCVEGCSA-N 1 0 279.340 1.927 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc(C[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000042164130 174646677 /nfs/dbraw/zinc/64/66/77/174646677.db2.gz PCRLRBMEXSRMSJ-JTQLQIEISA-N 1 0 274.280 1.939 20 5 CDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1F ZINC000044491673 175181160 /nfs/dbraw/zinc/18/11/60/175181160.db2.gz YPVAVHXSUNBQMW-VIFPVBQESA-N 1 0 281.287 1.606 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000044501370 175185769 /nfs/dbraw/zinc/18/57/69/175185769.db2.gz SOEVRTUADYXJLA-SECBINFHSA-N 1 0 297.742 1.978 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000071893376 176291582 /nfs/dbraw/zinc/29/15/82/176291582.db2.gz HKWWREZTVUWPFF-LBPRGKRZSA-N 1 0 277.324 1.205 20 5 CDBDRO C[NH+]1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000076411114 177020385 /nfs/dbraw/zinc/02/03/85/177020385.db2.gz OIXDNQNADJKSTJ-UHFFFAOYSA-N 1 0 265.313 1.221 20 5 CDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1cccc(F)c1[N+](=O)[O-] ZINC000078543607 177352348 /nfs/dbraw/zinc/35/23/48/177352348.db2.gz UIJRZZYVQSJPLN-LLVKDONJSA-N 1 0 296.346 1.782 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000063192670 298994023 /nfs/dbraw/zinc/99/40/23/298994023.db2.gz RCNQYWNRIXBHTD-GXFFZTMASA-N 1 0 277.324 1.937 20 5 CDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000525805853 262369023 /nfs/dbraw/zinc/36/90/23/262369023.db2.gz FQQOXEBGRIKVFU-LLVKDONJSA-N 1 0 277.324 1.666 20 5 CDBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H]1C[NH3+] ZINC000397285923 270347522 /nfs/dbraw/zinc/34/75/22/270347522.db2.gz UUJXSEQJLUPLHB-OUAUKWLOSA-N 1 0 294.355 1.379 20 5 CDBDRO Cc1ccnc(NCC2([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000397900704 270352353 /nfs/dbraw/zinc/35/23/53/270352353.db2.gz SHCCNMLARXMWSP-UHFFFAOYSA-N 1 0 250.302 1.804 20 5 CDBDRO COC[C@H](CO)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000279650462 274049200 /nfs/dbraw/zinc/04/92/00/274049200.db2.gz DYIBTDOYVVQHCK-YPMHNXCESA-N 1 0 282.340 1.513 20 5 CDBDRO COC[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000452043050 274051918 /nfs/dbraw/zinc/05/19/18/274051918.db2.gz USSPINOZZAYCKW-CYBMUJFWSA-N 1 0 295.339 1.257 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000237338213 274213532 /nfs/dbraw/zinc/21/35/32/274213532.db2.gz PNOBJYHLGMPNJT-VIFPVBQESA-N 1 0 283.353 1.398 20 5 CDBDRO C[N@@H+]1CC[C@@H]2OCCN(Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000332351121 277154003 /nfs/dbraw/zinc/15/40/03/277154003.db2.gz ZKABTWMZWZDMIN-CABCVRRESA-N 1 0 291.351 1.500 20 5 CDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC1([NH+](C)C)CC1 ZINC000419013498 277255996 /nfs/dbraw/zinc/25/59/96/277255996.db2.gz ZTJYRDFRVMEECG-UHFFFAOYSA-N 1 0 292.339 1.461 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000122561653 277278161 /nfs/dbraw/zinc/27/81/61/277278161.db2.gz OFPRTSJGIBADTA-LBPRGKRZSA-N 1 0 263.297 1.419 20 5 CDBDRO C[C@@H](CO)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000349299892 278288112 /nfs/dbraw/zinc/28/81/12/278288112.db2.gz RTOZNFQEENFOJP-ZRQQLDRUSA-N 1 0 250.298 1.921 20 5 CDBDRO Cc1c(C(=O)N(C)[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000058233578 278584497 /nfs/dbraw/zinc/58/44/97/278584497.db2.gz GSCOQQNAYSPOBT-SNVBAGLBSA-N 1 0 263.297 1.337 20 5 CDBDRO C[C@@H]1[C@H](C)C[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]1C ZINC000419373642 279099188 /nfs/dbraw/zinc/09/91/88/279099188.db2.gz OOBLXJJNJIYRLX-BBBLOLIVSA-N 1 0 252.318 1.805 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111303881 279322558 /nfs/dbraw/zinc/32/25/58/279322558.db2.gz WWSSGNNWPKWISZ-SSDOTTSWSA-N 1 0 271.704 1.715 20 5 CDBDRO C[C@H](CO)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331012983 279360639 /nfs/dbraw/zinc/36/06/39/279360639.db2.gz NUYTVSIOYCPITI-MXWKQRLJSA-N 1 0 268.317 1.245 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N(C)C[C@H]2CCC[N@@H+]2C)n1 ZINC000420637375 281009730 /nfs/dbraw/zinc/00/97/30/281009730.db2.gz OLURCLPXUQSYKG-LLVKDONJSA-N 1 0 264.329 1.829 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[N@@H+]([C@@H](C)CO)CC2)c1 ZINC000345037816 281010924 /nfs/dbraw/zinc/01/09/24/281010924.db2.gz QXSAMPKBRBDOAB-ZDUSSCGKSA-N 1 0 293.367 1.796 20 5 CDBDRO COc1cc(C[NH2+]C[C@]2(C)CCCO2)c([N+](=O)[O-])cc1O ZINC000152936687 289151805 /nfs/dbraw/zinc/15/18/05/289151805.db2.gz AUYDJOPZLFOLSS-AWEZNQCLSA-N 1 0 296.323 1.968 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418237742 289541956 /nfs/dbraw/zinc/54/19/56/289541956.db2.gz WIRBUUYCEADMCL-ZJUUUORDSA-N 1 0 280.328 1.644 20 5 CDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[N@H+](C)C1CC1 ZINC000551117965 290000783 /nfs/dbraw/zinc/00/07/83/290000783.db2.gz AJBLRJAEQCOSTI-SECBINFHSA-N 1 0 280.328 1.146 20 5 CDBDRO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000235658875 290565069 /nfs/dbraw/zinc/56/50/69/290565069.db2.gz VKDSJXHHKYAXGP-GWCFXTLKSA-N 1 0 277.324 1.794 20 5 CDBDRO COc1cccc(C(=O)NC2(C)CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000564840430 293428996 /nfs/dbraw/zinc/42/89/96/293428996.db2.gz HDOVDDRDWNIJCO-UHFFFAOYSA-N 1 0 293.323 1.475 20 5 CDBDRO COC[C@H](C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567681139 293837658 /nfs/dbraw/zinc/83/76/58/293837658.db2.gz KYDQCKIJJQIUIJ-LLVKDONJSA-N 1 0 295.339 1.796 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000567821598 293879456 /nfs/dbraw/zinc/87/94/56/293879456.db2.gz DTUHJGGMEWPAGE-GHMZBOCLSA-N 1 0 294.355 1.562 20 5 CDBDRO Cc1nn(C)c(N2CCC3(CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000568062078 293943094 /nfs/dbraw/zinc/94/30/94/293943094.db2.gz DWJOWQBRCKNMKL-UHFFFAOYSA-N 1 0 279.344 1.217 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000570216465 294196565 /nfs/dbraw/zinc/19/65/65/294196565.db2.gz PRVYPBRKQRSSHD-UWVGGRQHSA-N 1 0 281.312 1.216 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000574216377 294966750 /nfs/dbraw/zinc/96/67/50/294966750.db2.gz LEIUDQPZMWFYRC-NSHDSACASA-N 1 0 294.355 1.490 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000574688452 295038443 /nfs/dbraw/zinc/03/84/43/295038443.db2.gz QGPPLRFBDRGJJR-TZMCWYRMSA-N 1 0 275.308 1.211 20 5 CDBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@@H]12 ZINC000185200660 295341015 /nfs/dbraw/zinc/34/10/15/295341015.db2.gz MEDDOORJAUIFPP-FXAINCCUSA-N 1 0 293.298 1.543 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC([NH3+])CC1 ZINC000035347132 302042606 /nfs/dbraw/zinc/04/26/06/302042606.db2.gz XAXMMHGMUOYCIQ-UHFFFAOYSA-N 1 0 299.352 1.015 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCC[NH3+] ZINC000563497183 316319116 /nfs/dbraw/zinc/31/91/16/316319116.db2.gz JKZJBJPZJMSWSB-UHFFFAOYSA-N 1 0 280.328 1.970 20 5 CDBDRO CC(C)[NH2+]CCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000563809565 316374424 /nfs/dbraw/zinc/37/44/24/316374424.db2.gz HDJLLGYZEWNGHE-UHFFFAOYSA-N 1 0 265.313 1.713 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000577002857 317248153 /nfs/dbraw/zinc/24/81/53/317248153.db2.gz KLCBWMSHSPETLJ-LBPRGKRZSA-N 1 0 287.323 1.713 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000577740937 317394261 /nfs/dbraw/zinc/39/42/61/317394261.db2.gz HSTPHYYXPCCAPO-VIFPVBQESA-N 1 0 279.296 1.037 20 5 CDBDRO COC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000382576241 323649078 /nfs/dbraw/zinc/64/90/78/323649078.db2.gz UFLINIYRMUHXBE-FZMZJTMJSA-N 1 0 282.340 1.951 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1(C[NH3+])CCC1 ZINC000385329456 323704276 /nfs/dbraw/zinc/70/42/76/323704276.db2.gz PQQLOSLGGQBLDA-UHFFFAOYSA-N 1 0 263.297 1.548 20 5 CDBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)O ZINC000579952513 324324848 /nfs/dbraw/zinc/32/48/48/324324848.db2.gz FNBGEOMDUSDKBG-MNOVXSKESA-N 1 0 295.339 1.672 20 5 CDBDRO C[C@H]([NH2+]CC[C@H]1CCNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000581141045 324664096 /nfs/dbraw/zinc/66/40/96/324664096.db2.gz UITXRFPMJVNOLY-JQWIXIFHSA-N 1 0 277.324 1.772 20 5 CDBDRO CC(C)Oc1nc(NCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000581558474 324782261 /nfs/dbraw/zinc/78/22/61/324782261.db2.gz RGWCNJKATFUYCK-UHFFFAOYSA-N 1 0 282.344 1.563 20 5 CDBDRO COC(=O)C1(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1 ZINC001168966997 1161996341 /nfs/dbraw/zinc/99/63/41/1161996341.db2.gz MOZWQDCOXCUFAD-WDEREUQCSA-N 1 0 270.329 1.365 20 5 CDBDRO CCC[NH2+]CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000236918341 519914993 /nfs/dbraw/zinc/91/49/93/519914993.db2.gz UQKYWMRRUAHCJW-UHFFFAOYSA-N 1 0 294.355 1.147 20 5 CDBDRO Cn1c(C(=O)NC[C@H](C2CC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000340314810 522083600 /nfs/dbraw/zinc/08/36/00/522083600.db2.gz VVWBYLFKIPHOPZ-LLVKDONJSA-N 1 0 280.328 1.003 20 5 CDBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000234918867 522137911 /nfs/dbraw/zinc/13/79/11/522137911.db2.gz BTACUARCJCWEEB-GXSJLCMTSA-N 1 0 293.323 1.474 20 5 CDBDRO COc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000234915186 523670169 /nfs/dbraw/zinc/67/01/69/523670169.db2.gz QTDQGHMDLKUBND-PSASIEDQSA-N 1 0 279.296 1.023 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CC23CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000368159700 524148532 /nfs/dbraw/zinc/14/85/32/524148532.db2.gz XBJJBSCJRVDYSM-ZDUSSCGKSA-N 1 0 289.335 1.775 20 5 CDBDRO C[C@H](Nc1ncc([N+](=O)[O-])s1)[C@H]1CCC[NH2+]C1 ZINC000226779514 525684142 /nfs/dbraw/zinc/68/41/42/525684142.db2.gz XRVSFJPPLBQECU-YUMQZZPRSA-N 1 0 256.331 1.851 20 5 CDBDRO O=C(CC[C@@H]1CCC[NH2+]C1)NCc1cccc([N+](=O)[O-])c1 ZINC000052943187 526553416 /nfs/dbraw/zinc/55/34/16/526553416.db2.gz ZKJXBNVPCSZLPS-LBPRGKRZSA-N 1 0 291.351 1.991 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000338678861 526713199 /nfs/dbraw/zinc/71/31/99/526713199.db2.gz YTOZWTXJIKXPCM-LLVKDONJSA-N 1 0 292.339 1.623 20 5 CDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000070170051 527191294 /nfs/dbraw/zinc/19/12/94/527191294.db2.gz DFPUTHGFJQREHN-ZDUSSCGKSA-N 1 0 291.351 1.725 20 5 CDBDRO [NH3+]CCc1nccn1-c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000052304472 527199246 /nfs/dbraw/zinc/19/92/46/527199246.db2.gz QBHYZEKYOJYSNN-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](n3cncn3)C2)cc1 ZINC000368871984 527347538 /nfs/dbraw/zinc/34/75/38/527347538.db2.gz FERNUCASAGYQOX-CQSZACIVSA-N 1 0 287.323 1.676 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCOCC2)cc1 ZINC000363374276 527370452 /nfs/dbraw/zinc/37/04/52/527370452.db2.gz RWMCLVKUSRUMBM-UHFFFAOYSA-N 1 0 266.297 1.696 20 5 CDBDRO CC(C)C[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304306269 528590658 /nfs/dbraw/zinc/59/06/58/528590658.db2.gz KBGJUPRWLNAJEP-TZMCWYRMSA-N 1 0 296.371 1.663 20 5 CDBDRO CO[C@H](C[NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423724778 536553667 /nfs/dbraw/zinc/55/36/67/536553667.db2.gz NMGZLIGCMAUSHY-CYBMUJFWSA-N 1 0 293.323 1.060 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000422903076 535354999 /nfs/dbraw/zinc/35/49/99/535354999.db2.gz NZXLBKUFIPTNRP-VIFPVBQESA-N 1 0 280.328 1.424 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[NH3+])c1 ZINC000423995793 535426410 /nfs/dbraw/zinc/42/64/10/535426410.db2.gz FNZTUQRBWXBGLT-UHFFFAOYSA-N 1 0 267.285 1.024 20 5 CDBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc(F)cc([N+](=O)[O-])c2N)n1 ZINC000261757140 536345736 /nfs/dbraw/zinc/34/57/36/536345736.db2.gz MFHJDDUAVXTFBL-LURJTMIESA-N 1 0 295.274 1.517 20 5 CDBDRO C[NH2+][C@H](C)Cc1noc(-c2cc(OC)ccc2[N+](=O)[O-])n1 ZINC000261608896 536405492 /nfs/dbraw/zinc/40/54/92/536405492.db2.gz AOAAVNBRSPCGQL-MRVPVSSYSA-N 1 0 292.295 1.804 20 5 CDBDRO COc1cc(C[NH2+]CC[C@@H](C)OC)c([N+](=O)[O-])cc1O ZINC000263828173 536797505 /nfs/dbraw/zinc/79/75/05/536797505.db2.gz TZCUQRNEBVRULG-SECBINFHSA-N 1 0 284.312 1.824 20 5 CDBDRO COc1cc(CNC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000414820418 536800281 /nfs/dbraw/zinc/80/02/81/536800281.db2.gz AVKPTXHUYWGSTM-LLVKDONJSA-N 1 0 295.339 1.454 20 5 CDBDRO COc1cc(N2CCC[C@@H](C[NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000227859928 536828210 /nfs/dbraw/zinc/82/82/10/536828210.db2.gz IBCFTRUGNXPJLZ-VIFPVBQESA-N 1 0 283.303 1.918 20 5 CDBDRO CN1CC[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000729681661 574820397 /nfs/dbraw/zinc/82/03/97/574820397.db2.gz HJIHNOAXORSRIR-AGLBCWCQSA-N 1 0 261.325 1.902 20 5 CDBDRO C[C@@H]1COCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750117879 576976416 /nfs/dbraw/zinc/97/64/16/576976416.db2.gz WCBLSUDOLFXBKK-RISCZKNCSA-N 1 0 280.324 1.739 20 5 CDBDRO CCN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000891448583 617401618 /nfs/dbraw/zinc/40/16/18/617401618.db2.gz RJRWTOBBZNMNOA-CYBMUJFWSA-N 1 0 292.339 1.488 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NCC1([NH+](C)C)CCCC1 ZINC000891775839 617580498 /nfs/dbraw/zinc/58/04/98/617580498.db2.gz SLQNXEGZDIKORW-UHFFFAOYSA-N 1 0 267.333 1.615 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000891781379 617585385 /nfs/dbraw/zinc/58/53/85/617585385.db2.gz IEIPZDCJSHHBFG-SNVBAGLBSA-N 1 0 292.339 1.895 20 5 CDBDRO Cc1c(CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cccc1[N+](=O)[O-] ZINC000891848844 617652429 /nfs/dbraw/zinc/65/24/29/617652429.db2.gz MNEPDQMDBGEBQJ-RYUDHWBXSA-N 1 0 290.323 1.159 20 5 CDBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCOC1 ZINC000776591996 617685968 /nfs/dbraw/zinc/68/59/68/617685968.db2.gz NXBQUGCHUYMRAL-SMDDNHRTSA-N 1 0 280.324 1.597 20 5 CDBDRO C[C@H](CNc1c([N+](=O)[O-])cnn1C)C[NH+]1CCCCC1 ZINC000891913525 617762640 /nfs/dbraw/zinc/76/26/40/617762640.db2.gz HXSOEFVLRDJEEF-LLVKDONJSA-N 1 0 281.360 1.862 20 5 CDBDRO CO[C@@H]1CCOC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000934039505 617864352 /nfs/dbraw/zinc/86/43/52/617864352.db2.gz UNRVHXPDBPFQES-MGPQQGTHSA-N 1 0 296.323 1.022 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000893938746 618199365 /nfs/dbraw/zinc/19/93/65/618199365.db2.gz FPEMOMGAONYBII-WDEREUQCSA-N 1 0 279.344 1.260 20 5 CDBDRO O=[N+]([O-])c1cc(CN2CC[C@@]3(CCC[NH2+]3)C2)cs1 ZINC000841105437 618612060 /nfs/dbraw/zinc/61/20/60/618612060.db2.gz NIURSGWBWYDYDK-LBPRGKRZSA-N 1 0 267.354 1.984 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@H](O)C1CC1 ZINC000898205549 621362586 /nfs/dbraw/zinc/36/25/86/621362586.db2.gz DTNWUUFOPHYLLL-ZDUSSCGKSA-N 1 0 250.298 1.845 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000904221473 626223606 /nfs/dbraw/zinc/22/36/06/626223606.db2.gz SSEHGCYWBWDUJB-CYBMUJFWSA-N 1 0 263.341 1.867 20 5 CDBDRO O=[N+]([O-])CC[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000905051919 626387589 /nfs/dbraw/zinc/38/75/89/626387589.db2.gz JHHINOJFJMGPNN-UHFFFAOYSA-N 1 0 264.329 1.438 20 5 CDBDRO O=C(Cc1ccccc1)N1CCC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905253305 626706313 /nfs/dbraw/zinc/70/63/13/626706313.db2.gz FSKIJQMPZRQVOH-AWEZNQCLSA-N 1 0 291.351 1.086 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCC[N+](=O)[O-] ZINC000905402482 626797632 /nfs/dbraw/zinc/79/76/32/626797632.db2.gz ZMMPMOKTWJXGNA-UKRRQHHQSA-N 1 0 277.368 1.621 20 5 CDBDRO [NH3+][C@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000906508317 627296077 /nfs/dbraw/zinc/29/60/77/627296077.db2.gz MOTRWYXRIZQKCH-KYZUINATSA-N 1 0 287.266 1.776 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911623376 629369345 /nfs/dbraw/zinc/36/93/45/629369345.db2.gz MGKJUMLLUFIPLT-VIFPVBQESA-N 1 0 295.364 1.880 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911674531 629404797 /nfs/dbraw/zinc/40/47/97/629404797.db2.gz TXZOQQNRNUOCND-VIFPVBQESA-N 1 0 295.364 1.799 20 5 CDBDRO CC(C)([NH3+])CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911844772 629584375 /nfs/dbraw/zinc/58/43/75/629584375.db2.gz BKAPDERHKBYHPQ-RYUDHWBXSA-N 1 0 277.324 1.552 20 5 CDBDRO Cc1ccccc1C[N@@H+]1CCCN(CC[N+](=O)[O-])CC1 ZINC000929204078 632885800 /nfs/dbraw/zinc/88/58/00/632885800.db2.gz QRCDANRPRSIRJX-UHFFFAOYSA-N 1 0 277.368 1.779 20 5 CDBDRO C[NH+]1CC(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001170253957 1162326324 /nfs/dbraw/zinc/32/63/24/1162326324.db2.gz UAZOSPDHXFNQAZ-UHFFFAOYSA-N 1 0 276.340 1.842 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]C(C)(C)C(N)=O)c([N+](=O)[O-])c1 ZINC001170306519 1162339115 /nfs/dbraw/zinc/33/91/15/1162339115.db2.gz WVYIWZWZFTUYTC-VIFPVBQESA-N 1 0 295.339 1.388 20 5 CDBDRO C[C@@H]1[C@@H]([NH3+])CCCN1c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001157744771 1162385433 /nfs/dbraw/zinc/38/54/33/1162385433.db2.gz XXSSNRZYAUYYKX-APPZFPTMSA-N 1 0 270.720 1.959 20 5 CDBDRO C[C@H]([NH3+])c1ccn(-c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC001158349897 1162903027 /nfs/dbraw/zinc/90/30/27/1162903027.db2.gz VQEPTVMIVDGFJM-LURJTMIESA-N 1 0 278.228 1.103 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1cc2cccnc2c([N+](=O)[O-])c1 ZINC001167692231 1159435029 /nfs/dbraw/zinc/43/50/29/1159435029.db2.gz OKBHERLXIZSZFN-UHFFFAOYSA-N 1 0 295.302 1.872 20 5 CDBDRO [NH3+]CCc1nnn(-c2nc3ccccc3c3ccccc32)n1 ZINC001167793083 1159725744 /nfs/dbraw/zinc/72/57/44/1159725744.db2.gz UTYKBLLZGRKPEN-UHFFFAOYSA-N 1 0 290.330 1.865 20 5 CDBDRO CC(C)(C)N1CC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168998244 1161996960 /nfs/dbraw/zinc/99/69/60/1161996960.db2.gz KLZXPUPNBVJZDM-MNOVXSKESA-N 1 0 255.362 1.504 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000877174607 1165987809 /nfs/dbraw/zinc/98/78/09/1165987809.db2.gz GZALCDBUTSWEIN-DTWKUNHWSA-N 1 0 297.286 1.061 20 5 CDBDRO CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C1C[NH2+]C1 ZINC001578389565 1171894240 /nfs/dbraw/zinc/89/42/40/1171894240.db2.gz TUJGZNPLASVMCG-UHFFFAOYSA-N 1 0 287.678 1.431 20 5 CDBDRO C[NH2+][C@@H]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001578609359 1171962964 /nfs/dbraw/zinc/96/29/64/1171962964.db2.gz QZKBXMMCHFWXKP-SNVBAGLBSA-N 1 0 272.308 1.941 20 5 CDBDRO COc1ccccc1[C@H]([NH3+])CNc1nn(C)cc1[N+](=O)[O-] ZINC001579301573 1172138808 /nfs/dbraw/zinc/13/88/08/1172138808.db2.gz ASEFOBCQYZFSAW-SNVBAGLBSA-N 1 0 291.311 1.449 20 5 CDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1C[C@H]([NH3+])C1 ZINC001579349417 1172152458 /nfs/dbraw/zinc/15/24/58/1172152458.db2.gz YDXKSKJMTHLICJ-KYZUINATSA-N 1 0 299.352 1.148 20 5 CDBDRO [NH3+][C@H]1CCCCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC001580181822 1172370792 /nfs/dbraw/zinc/37/07/92/1172370792.db2.gz CBQOGDHOYPXPKZ-JTQLQIEISA-N 1 0 294.311 1.039 20 5 CDBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NCC1(O)C[NH2+]C1 ZINC001580874969 1172557138 /nfs/dbraw/zinc/55/71/38/1172557138.db2.gz RGOIGLWQPJSSSP-UHFFFAOYSA-N 1 0 291.229 1.360 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1CNC[C@@H]1CC[NH2+]1 ZINC001580874871 1172557186 /nfs/dbraw/zinc/55/71/86/1172557186.db2.gz NAIJZQBSYYGPCR-JTQLQIEISA-N 1 0 255.705 1.700 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001580874875 1172557488 /nfs/dbraw/zinc/55/74/88/1172557488.db2.gz NDMMXEREJWVELS-TXEJJXNPSA-N 1 0 265.288 1.670 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3C[C@H]2C[NH2+]3)c([N+](=O)[O-])c1 ZINC001580875082 1172558915 /nfs/dbraw/zinc/55/89/15/1172558915.db2.gz XJJXARSIMNDVFF-ONGXEEELSA-N 1 0 278.268 1.049 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC1CC[NH2+]CC1 ZINC000094021950 1174457924 /nfs/dbraw/zinc/45/79/24/1174457924.db2.gz IYJHCIHNGQEKAK-UHFFFAOYSA-N 1 0 291.351 1.975 20 5 CDBDRO CN(c1nn(C)cc1[N+](=O)[O-])C1CCC([NH3+])CC1 ZINC000231672300 1178175128 /nfs/dbraw/zinc/17/51/28/1178175128.db2.gz NFSZIJGLXHMTDM-UHFFFAOYSA-N 1 0 253.306 1.034 20 5 CDBDRO C[N@@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000301658151 719371960 /nfs/dbraw/zinc/37/19/60/719371960.db2.gz LTKOXILMHHCEGG-MNOVXSKESA-N 1 0 298.730 1.162 20 5 CDBDRO C[N@@H+]1CCO[C@H]2CN(c3cc(Cl)cc([N+](=O)[O-])n3)C[C@@H]21 ZINC001164664975 719386271 /nfs/dbraw/zinc/38/62/71/719386271.db2.gz DFPGDJFSTOSHHP-UWVGGRQHSA-N 1 0 298.730 1.162 20 5 CDBDRO C[NH+](C)CC1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601105240 721943776 /nfs/dbraw/zinc/94/37/76/721943776.db2.gz WJHIQCBAMNGUNB-UHFFFAOYSA-N 1 0 282.319 1.907 20 5 CDBDRO CC(C)c1ccc(C[NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000886258208 777708666 /nfs/dbraw/zinc/70/86/66/777708666.db2.gz YEFOYUZUOSBNFJ-SHHSBJBSSA-N 1 0 294.351 1.692 20 5 CDBDRO CC(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048812577 773742894 /nfs/dbraw/zinc/74/28/94/773742894.db2.gz LGUBGRPHVTYDBI-XJFOESAGSA-N 1 0 295.383 1.088 20 5 CDBDRO C[NH2+][C@@H](CC(C)C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000884069298 773756571 /nfs/dbraw/zinc/75/65/71/773756571.db2.gz YNPRUHBWNVAONN-ZDUSSCGKSA-N 1 0 279.340 1.845 20 5 CDBDRO CO[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831754352 774515809 /nfs/dbraw/zinc/51/58/09/774515809.db2.gz LIOGMVMWKGSUCG-HZSPNIEDSA-N 1 0 280.324 1.785 20 5 CDBDRO CC(C)[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000856483765 774815249 /nfs/dbraw/zinc/81/52/49/774815249.db2.gz JVGIFDZDFCDNRU-LBPRGKRZSA-N 1 0 292.339 1.247 20 5 CDBDRO C[C@@H]1OCC[C@]1(C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000300423828 774836747 /nfs/dbraw/zinc/83/67/47/774836747.db2.gz VYVBPFWSVBPVKF-GDLCADMTSA-N 1 0 280.324 1.785 20 5 CDBDRO COCC[C@H]([NH3+])C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000884331129 774861244 /nfs/dbraw/zinc/86/12/44/774861244.db2.gz GLAZPJCJXUXVMN-NSHDSACASA-N 1 0 293.323 1.156 20 5 CDBDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839455340 774867845 /nfs/dbraw/zinc/86/78/45/774867845.db2.gz PHMXISIWXYKVLN-MGPQQGTHSA-N 1 0 289.335 1.042 20 5 CDBDRO O=[N+]([O-])c1ccc(OC[C@H]2CC[NH2+]C2)c(F)c1F ZINC000830409576 774876454 /nfs/dbraw/zinc/87/64/54/774876454.db2.gz RBRMSUXUNGLKDZ-ZETCQYMHSA-N 1 0 258.224 1.861 20 5 CDBDRO C[C@H]([NH3+])CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000877096463 775044641 /nfs/dbraw/zinc/04/46/41/775044641.db2.gz HKLJVGDJOGEJAS-VIFPVBQESA-N 1 0 280.328 1.080 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000843056416 775678495 /nfs/dbraw/zinc/67/84/95/775678495.db2.gz JGQHJXNWGROUFH-NOZJJQNGSA-N 1 0 299.758 1.796 20 5 CDBDRO Cc1c(C[NH2+][C@@H](C)C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000049098644 775794078 /nfs/dbraw/zinc/79/40/78/775794078.db2.gz LSSFPKIDSSOZJT-JTQLQIEISA-N 1 0 265.313 1.470 20 5 CDBDRO CC[C@H]([NH3+])C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000843495257 775935562 /nfs/dbraw/zinc/93/55/62/775935562.db2.gz PYLKNJMJQBGBKC-JTQLQIEISA-N 1 0 263.297 1.530 20 5 CDBDRO CC1CCC([NH+]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000839683208 775986707 /nfs/dbraw/zinc/98/67/07/775986707.db2.gz LXIBLIAMGNXGEZ-NWINJMCUSA-N 1 0 295.383 1.375 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235345847 776438337 /nfs/dbraw/zinc/43/83/37/776438337.db2.gz RLOCATOVDONXCI-ZJUUUORDSA-N 1 0 263.297 1.322 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000872320188 776514619 /nfs/dbraw/zinc/51/46/19/776514619.db2.gz MGSYQLXGYUFZSE-MBNYWOFBSA-N 1 0 278.308 1.206 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)C2CCOCC2)cc1F ZINC000801539186 776665243 /nfs/dbraw/zinc/66/52/43/776665243.db2.gz CPNTVRGFNPYLDH-ZDUSSCGKSA-N 1 0 298.314 1.611 20 5 CDBDRO C[C@@H]1CN(CCNc2ccnc(F)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000882598729 776713212 /nfs/dbraw/zinc/71/32/12/776713212.db2.gz KFMIJLILNJCMIA-VHSXEESVSA-N 1 0 298.318 1.650 20 5 CDBDRO COCC[C@H](CO)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000883110518 776789161 /nfs/dbraw/zinc/78/91/61/776789161.db2.gz CMAARFPCJFXSDI-GFCCVEGCSA-N 1 0 282.340 1.699 20 5 CDBDRO CCCNC(=O)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815562512 776792831 /nfs/dbraw/zinc/79/28/31/776792831.db2.gz HKJAUSRBKYFJRH-JTQLQIEISA-N 1 0 294.355 1.744 20 5 CDBDRO C[C@@H](CO)CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819190649 776801383 /nfs/dbraw/zinc/80/13/83/776801383.db2.gz KYYIAHWRNRSFNL-BXUZGUMPSA-N 1 0 282.340 1.626 20 5 CDBDRO CN1CCC[C@@H]1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000226046782 776822496 /nfs/dbraw/zinc/82/24/96/776822496.db2.gz WUFOFISQYIWFTQ-ZIAGYGMSSA-N 1 0 279.340 1.312 20 5 CDBDRO CCc1nn(C)c(NC[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000091562579 776870989 /nfs/dbraw/zinc/87/09/89/776870989.db2.gz RSFLAJUMZLKNPJ-SECBINFHSA-N 1 0 267.333 1.302 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]21 ZINC000828987511 777040543 /nfs/dbraw/zinc/04/05/43/777040543.db2.gz FYIGBNQZKMOXHC-RNCFNFMXSA-N 1 0 292.295 1.643 20 5 CDBDRO COC(=O)[C@@H]1C[N@H+](CC[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000930686467 777072740 /nfs/dbraw/zinc/07/27/40/777072740.db2.gz YJNXOXQNNCPSSF-CHWSQXEVSA-N 1 0 278.308 1.152 20 5 CDBDRO C[NH+](C)CCCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000929161256 777285491 /nfs/dbraw/zinc/28/54/91/777285491.db2.gz ORLLHAMSXWSREM-UONOGXRCSA-N 1 0 291.351 1.766 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000826676656 777297755 /nfs/dbraw/zinc/29/77/55/777297755.db2.gz BLWIUJAONLUFCZ-NWDGAFQWSA-N 1 0 285.388 1.811 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000884027578 777362800 /nfs/dbraw/zinc/36/28/00/777362800.db2.gz GXFDHBZILAPSHF-LBPRGKRZSA-N 1 0 291.351 1.893 20 5 CDBDRO CC1(C)CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000890081440 777380749 /nfs/dbraw/zinc/38/07/49/777380749.db2.gz IQDYXTCHNZPVDV-UHFFFAOYSA-N 1 0 281.312 1.650 20 5 CDBDRO CC(C)[NH2+]CCc1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000843192890 777493520 /nfs/dbraw/zinc/49/35/20/777493520.db2.gz ZJDIXYFDGCKEEW-UHFFFAOYSA-N 1 0 291.311 1.504 20 5 CDBDRO CO[C@@H](C)C[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796642018 777511105 /nfs/dbraw/zinc/51/11/05/777511105.db2.gz WFMOGVMOZCJAKQ-GXFFZTMASA-N 1 0 268.313 1.595 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000931040058 777527032 /nfs/dbraw/zinc/52/70/32/777527032.db2.gz WWDREPDXDGJLSB-CMPLNLGQSA-N 1 0 281.360 1.124 20 5 CDBDRO CC[C@@H](CCO)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788600423 777645234 /nfs/dbraw/zinc/64/52/34/777645234.db2.gz CTEYLLOFEIPPDM-KOLCDFICSA-N 1 0 267.329 1.989 20 5 CDBDRO Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)cc1[N+](=O)[O-] ZINC000714035024 777671715 /nfs/dbraw/zinc/67/17/15/777671715.db2.gz DYDSEPNIFQAYHY-GXTWGEPZSA-N 1 0 280.324 1.221 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCC=CO2)c1 ZINC000819246642 777764115 /nfs/dbraw/zinc/76/41/15/777764115.db2.gz OFPOZJJJFMOTOL-ZIAGYGMSSA-N 1 0 278.308 1.911 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@]1(O)CC[N@@H+](C)C1 ZINC000873105675 777861496 /nfs/dbraw/zinc/86/14/96/777861496.db2.gz ALOVQZBAGKDPQV-HNNXBMFYSA-N 1 0 293.367 1.368 20 5 CDBDRO COC[C@@H](C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818978827 777893658 /nfs/dbraw/zinc/89/36/58/777893658.db2.gz RMBWESKAOLRXDZ-GWCFXTLKSA-N 1 0 268.313 1.500 20 5 CDBDRO CC[NH+]1CCC(CNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000822743244 777899855 /nfs/dbraw/zinc/89/98/55/777899855.db2.gz OBUWJDHXQDLVLA-UHFFFAOYSA-N 1 0 285.388 1.670 20 5 CDBDRO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000858578151 778055544 /nfs/dbraw/zinc/05/55/44/778055544.db2.gz HEYIQHYWYMCASY-MNOVXSKESA-N 1 0 295.339 1.962 20 5 CDBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840425712 778080564 /nfs/dbraw/zinc/08/05/64/778080564.db2.gz OIVUZKHZXLCXCQ-CHWSQXEVSA-N 1 0 297.399 1.813 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(Cn3nccc3[N+](=O)[O-])CC[C@H]21 ZINC000246928933 778134639 /nfs/dbraw/zinc/13/46/39/778134639.db2.gz HBHNNMFBTHPEDP-VXGBXAGGSA-N 1 0 279.344 1.165 20 5 CDBDRO C[N@@H+]1CCN(CC[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000930377376 778164060 /nfs/dbraw/zinc/16/40/60/778164060.db2.gz SSQMYWAPNPJOJK-AWEZNQCLSA-N 1 0 263.341 1.122 20 5 CDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1CC1 ZINC001021758629 778216564 /nfs/dbraw/zinc/21/65/64/778216564.db2.gz SJKKWBUYTAPIBM-PHIMTYICSA-N 1 0 295.364 1.803 20 5 CDBDRO C[C@@H]([N@H+](C)Cc1cccnc1[N+](=O)[O-])C(C)(C)O ZINC000886227290 778247749 /nfs/dbraw/zinc/24/77/49/778247749.db2.gz ZWHIQIQVYCWEKF-SECBINFHSA-N 1 0 253.302 1.581 20 5 CDBDRO Cc1c(NC(=O)[C@@H](C)N(C)C[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000863568149 778317451 /nfs/dbraw/zinc/31/74/51/778317451.db2.gz HYJVSGWOUIVJRI-GXSJLCMTSA-N 1 0 294.355 1.509 20 5 CDBDRO O=C(OCCC[NH+]1CCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000800185503 778544988 /nfs/dbraw/zinc/54/49/88/778544988.db2.gz HZMLXMGIBWIPMP-UHFFFAOYSA-N 1 0 294.307 1.943 20 5 CDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[N@@H+](C)C1CC1 ZINC000843773998 778632313 /nfs/dbraw/zinc/63/23/13/778632313.db2.gz KXKBQKIZVSOLIQ-UHFFFAOYSA-N 1 0 295.314 1.866 20 5 CDBDRO COCC[N@H+](C)CCCNc1ccnc(F)c1[N+](=O)[O-] ZINC000881804853 778745647 /nfs/dbraw/zinc/74/56/47/778745647.db2.gz VBUXXWGGFSLEGU-UHFFFAOYSA-N 1 0 286.307 1.509 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H]2CC2(Cl)Cl)c1 ZINC000877094889 778819861 /nfs/dbraw/zinc/81/98/61/778819861.db2.gz MTKVWFMUJNRFNL-ZETCQYMHSA-N 1 0 279.127 1.575 20 5 CDBDRO CC1(C)CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[NH2+]1 ZINC000801914211 778844325 /nfs/dbraw/zinc/84/43/25/778844325.db2.gz AIRKZEBJDUDNIR-UHFFFAOYSA-N 1 0 296.302 1.140 20 5 CDBDRO O=[N+]([O-])CC[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000929929307 778861390 /nfs/dbraw/zinc/86/13/90/778861390.db2.gz HKKFYUOHVKTMTO-ZIAGYGMSSA-N 1 0 264.325 1.851 20 5 CDBDRO Cc1cc(-c2noc(C3(C[NH3+])CC3)n2)cc([N+](=O)[O-])c1 ZINC000843240021 778944264 /nfs/dbraw/zinc/94/42/64/778944264.db2.gz SCUOMPYMKKQIOK-UHFFFAOYSA-N 1 0 274.280 1.944 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000702061283 778965243 /nfs/dbraw/zinc/96/52/43/778965243.db2.gz AGOUBPRDTNCQFU-SECBINFHSA-N 1 0 297.742 1.930 20 5 CDBDRO Cc1noc(CN(C)[C@@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000886481961 779002172 /nfs/dbraw/zinc/00/21/72/779002172.db2.gz PACZNVJOGNBWBE-RKDXNWHRSA-N 1 0 255.274 1.236 20 5 CDBDRO COC[C@@H](O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000230155823 779013029 /nfs/dbraw/zinc/01/30/29/779013029.db2.gz SLGGZTIMHGEBOD-LBPRGKRZSA-N 1 0 268.313 1.390 20 5 CDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000843485716 779066841 /nfs/dbraw/zinc/06/68/41/779066841.db2.gz DGLKLWVAVGIRMZ-YUMQZZPRSA-N 1 0 296.283 1.277 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000037647002 779074061 /nfs/dbraw/zinc/07/40/61/779074061.db2.gz QJBDQGOXXFLVNA-SECBINFHSA-N 1 0 281.287 1.415 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)cc1 ZINC000886568838 779520316 /nfs/dbraw/zinc/52/03/16/779520316.db2.gz XJDJIWHXZWHVRM-MBNYWOFBSA-N 1 0 294.376 1.923 20 5 CDBDRO CCCN1CC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000853113709 779595970 /nfs/dbraw/zinc/59/59/70/779595970.db2.gz KGLMSIWXGBWPJE-DZGCQCFKSA-N 1 0 293.367 1.702 20 5 CDBDRO [NH3+]C[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000050245605 779668921 /nfs/dbraw/zinc/66/89/21/779668921.db2.gz OWVHVHOKIBMSGK-SSDOTTSWSA-N 1 0 255.299 1.077 20 5 CDBDRO COC(=O)[C@@H]1CCN(Cn2nc(C)c([N+](=O)[O-])c2C)[C@@H]1C ZINC000787242602 779846242 /nfs/dbraw/zinc/84/62/42/779846242.db2.gz IXLBDEJAVMVBJO-MWLCHTKSSA-N 1 0 296.327 1.249 20 5 CDBDRO CO[C@H](C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000849328824 779852107 /nfs/dbraw/zinc/85/21/07/779852107.db2.gz LVZQCCBLRNIHNE-SKDRFNHKSA-N 1 0 254.286 1.253 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000081902554 779882425 /nfs/dbraw/zinc/88/24/25/779882425.db2.gz RTPBSYUFDALPMD-VHSXEESVSA-N 1 0 286.353 1.679 20 5 CDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1CC1 ZINC001019915312 779890705 /nfs/dbraw/zinc/89/07/05/779890705.db2.gz SJKKWBUYTAPIBM-XYPYZODXSA-N 1 0 295.364 1.803 20 5 CDBDRO C[C@@H]1[NH2+]CCN(Cc2cccnc2[N+](=O)[O-])[C@H]1C ZINC000886838309 780029206 /nfs/dbraw/zinc/02/92/06/780029206.db2.gz VHJFDDZYLFQANG-UWVGGRQHSA-N 1 0 250.302 1.172 20 5 CDBDRO O=[N+]([O-])c1cnc(NCC[C@@H]2CCOC23C[NH2+]C3)c(F)c1 ZINC001155478001 1167187492 /nfs/dbraw/zinc/18/74/92/1167187492.db2.gz QMTGVVHOUUMBRI-SECBINFHSA-N 1 0 296.302 1.309 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](C)C(N)=O)c1F ZINC001173175816 912281902 /nfs/dbraw/zinc/28/19/02/912281902.db2.gz UCWUROSQWWRFJD-SFYZADRCSA-N 1 0 299.302 1.137 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(CO)CC1 ZINC001173215377 912297442 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N=C(Nc1c(Cl)cncc1[N+](=O)[O-])SCC[NH3+] ZINC001167914639 902127577 /nfs/dbraw/zinc/12/75/77/902127577.db2.gz NSHHUCNNYYLDTA-UHFFFAOYSA-N 1 0 275.721 1.104 20 5 CDBDRO COC(=O)c1ccnc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001226755007 905575430 /nfs/dbraw/zinc/57/54/30/905575430.db2.gz WGLRFGMPNNDAQT-SNVBAGLBSA-N 1 0 253.322 1.342 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cnc(F)c(Cl)c1 ZINC001227964227 906816870 /nfs/dbraw/zinc/81/68/70/906816870.db2.gz GSGPEUAXNDVCQB-MRVPVSSYSA-N 1 0 291.730 1.237 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NC1(C)CC[NH2+]CC1 ZINC001168181688 907705756 /nfs/dbraw/zinc/70/57/56/907705756.db2.gz BVICCEYJRMYZSY-UHFFFAOYSA-N 1 0 266.301 1.552 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1NC1(C)CC[NH2+]CC1 ZINC001168183825 907724250 /nfs/dbraw/zinc/72/42/50/907724250.db2.gz NPNDQPONIOCIJI-UHFFFAOYSA-N 1 0 265.317 1.586 20 5 CDBDRO Cc1cc(N[C@H]2C[NH2+]CC[C@H]2F)ncc1[N+](=O)[O-] ZINC001168227752 907944678 /nfs/dbraw/zinc/94/46/78/907944678.db2.gz XXHBLFOZRYJYKD-BDAKNGLRSA-N 1 0 254.265 1.410 20 5 CDBDRO NC(=O)C1([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172895565 912051938 /nfs/dbraw/zinc/05/19/38/912051938.db2.gz FSQIZQRBXUJURU-GFCCVEGCSA-N 1 0 289.335 1.450 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CC1OCCO1)CC2 ZINC001172913194 912104299 /nfs/dbraw/zinc/10/42/99/912104299.db2.gz URANJMIXJUGTGF-CYBMUJFWSA-N 1 0 292.335 1.805 20 5 CDBDRO [NH3+]CC[C@@H]1CN(c2cnc([N+](=O)[O-])cn2)c2ccccc21 ZINC001168550459 919060884 /nfs/dbraw/zinc/06/08/84/919060884.db2.gz UGAYPTGEZGLFEX-SNVBAGLBSA-N 1 0 285.307 1.969 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001162396490 922500612 /nfs/dbraw/zinc/50/06/12/922500612.db2.gz JZWQULIZVOSRQD-BDAKNGLRSA-N 1 0 266.301 1.680 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](C)C1 ZINC001118202453 923919176 /nfs/dbraw/zinc/91/91/76/923919176.db2.gz UOJHSYJWVLTALH-SECBINFHSA-N 1 0 278.312 1.070 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001154986555 926312451 /nfs/dbraw/zinc/31/24/51/926312451.db2.gz SQZNNRSJUPYGHC-ZJUUUORDSA-N 1 0 266.301 1.218 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000843480407 937154746 /nfs/dbraw/zinc/15/47/46/937154746.db2.gz WTUXEZUVWCDVSN-ZDMBXUJBSA-N 1 0 292.339 1.293 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC001168976288 927563815 /nfs/dbraw/zinc/56/38/15/927563815.db2.gz CJARPENLTNUREW-KBPBESRZSA-N 1 0 298.383 1.955 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2CO)C1 ZINC001168979765 927568067 /nfs/dbraw/zinc/56/80/67/927568067.db2.gz ZVFSUSMMRPREQL-RISCZKNCSA-N 1 0 264.325 1.714 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2ncccn2)C1 ZINC001168982779 927571530 /nfs/dbraw/zinc/57/15/30/927571530.db2.gz IYTNOHGRUVAYQM-WDEREUQCSA-N 1 0 250.302 1.054 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CCC(CCO)CC2)C1 ZINC001168984968 927572287 /nfs/dbraw/zinc/57/22/87/927572287.db2.gz BXSXXWXPLXMVMT-GNRIBBGQSA-N 1 0 270.373 1.963 20 5 CDBDRO O=C(NCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001168985267 927572837 /nfs/dbraw/zinc/57/28/37/927572837.db2.gz SMSKZNJHZRFMAR-GXTWGEPZSA-N 1 0 297.399 1.718 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2[C@@H]3C[C@@H]4C[C@H]2C[C@](O)(C3)C4)C1 ZINC001168955502 927577169 /nfs/dbraw/zinc/57/71/69/927577169.db2.gz BBJZPTGJSREUKB-JBZLLULBSA-N 1 0 294.395 1.961 20 5 CDBDRO O=c1ccc2c([nH]1)CC[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001168956873 927577949 /nfs/dbraw/zinc/57/79/49/927577949.db2.gz CIPRPKMXGFBLNI-KGYLQXTDSA-N 1 0 291.351 1.680 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](CO)c2ccc(F)cc2)C1 ZINC001168964981 927587946 /nfs/dbraw/zinc/58/79/46/927587946.db2.gz WYNVGJPFKVMUSF-DDTOSNHZSA-N 1 0 282.315 1.894 20 5 CDBDRO COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001169001248 927605258 /nfs/dbraw/zinc/60/52/58/927605258.db2.gz DYRXAXJGJCMTBW-CMPLNLGQSA-N 1 0 293.323 1.403 20 5 CDBDRO C[C@@]1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@@H](O)CC1 ZINC001169001291 927606606 /nfs/dbraw/zinc/60/66/06/927606606.db2.gz FJUBSCPRUCQBFU-FDYHWXHSSA-N 1 0 256.346 1.715 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@](O)(CF)CC2)C1 ZINC001169011280 927617794 /nfs/dbraw/zinc/61/77/94/927617794.db2.gz JDXHNNDRLNPRTD-FRRDWIJNSA-N 1 0 274.336 1.618 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@@H]3CCO)CC2)C1 ZINC001169012898 927620141 /nfs/dbraw/zinc/62/01/41/927620141.db2.gz SLSUTQWSXAKFNQ-RDBSUJKOSA-N 1 0 282.384 1.916 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CC[C@@H]3COC[C@@H]3C2)C1 ZINC001169014008 927620409 /nfs/dbraw/zinc/62/04/09/927620409.db2.gz XSMNURVRLUWRBK-QNWHQSFQSA-N 1 0 254.330 1.400 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCC2CCC(O)CC2)C1 ZINC001168988441 927626450 /nfs/dbraw/zinc/62/64/50/927626450.db2.gz SFXNMVJPAHMRNW-YIFLHPOLSA-N 1 0 270.373 1.963 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCN2CCC(F)(F)CC2)C1 ZINC001168988933 927626722 /nfs/dbraw/zinc/62/67/22/927626722.db2.gz VCOZLLCEYRFXPD-VXGBXAGGSA-N 1 0 291.342 1.753 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CCN(C3CCOCC3)C2)C1 ZINC001168991225 927629902 /nfs/dbraw/zinc/62/99/02/927629902.db2.gz FYJNJCYDUYQDGL-IHRRRGAJSA-N 1 0 297.399 1.275 20 5 CDBDRO COC(=O)[C@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169033674 927640582 /nfs/dbraw/zinc/64/05/82/927640582.db2.gz DHZPEUIQASJJRO-SRVKXCTJSA-N 1 0 270.329 1.317 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(CC(F)F)CC2)C1 ZINC001169035517 927643908 /nfs/dbraw/zinc/64/39/08/927643908.db2.gz BRKYVBIUCIUZRB-QWRGUYRKSA-N 1 0 277.315 1.315 20 5 CDBDRO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169038323 927649361 /nfs/dbraw/zinc/64/93/61/927649361.db2.gz YCONIEFFOWVLLJ-XQQFMLRXSA-N 1 0 284.356 1.707 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCOC3(CCOCC3)C2)C1 ZINC001169039521 927650557 /nfs/dbraw/zinc/65/05/57/927650557.db2.gz QVOUUTYJXYOSFI-QWHCGFSZSA-N 1 0 284.356 1.313 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](Oc3ncccn3)C2)C1 ZINC001169050629 927668704 /nfs/dbraw/zinc/66/87/04/927668704.db2.gz CANLJZIUOAFASH-AGIUHOORSA-N 1 0 292.339 1.375 20 5 CDBDRO COC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169052496 927670101 /nfs/dbraw/zinc/67/01/01/927670101.db2.gz GGJKJQQHOUOVLM-UPJWGTAASA-N 1 0 284.356 1.707 20 5 CDBDRO CN(C)C(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169055322 927672254 /nfs/dbraw/zinc/67/22/54/927672254.db2.gz PLIIIHOWGQFOJV-YNEHKIRRSA-N 1 0 298.387 1.167 20 5 CDBDRO COc1cnc(-n2ccc([C@H](C)[NH3+])n2)cc1[N+](=O)[O-] ZINC001169228853 927830175 /nfs/dbraw/zinc/83/01/75/927830175.db2.gz DAQACPMYDPGXLN-ZETCQYMHSA-N 1 0 263.257 1.204 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ncc1NCC[C@H]1CCC[NH2+]1 ZINC001169569006 928187177 /nfs/dbraw/zinc/18/71/77/928187177.db2.gz KBYHBBRLXQYARB-SECBINFHSA-N 1 0 294.311 1.330 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ncc1-n1ccc(C[NH3+])c1 ZINC001169725277 928345551 /nfs/dbraw/zinc/34/55/51/928345551.db2.gz BWWMINYXTQXTQB-UHFFFAOYSA-N 1 0 276.252 1.026 20 5 CDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1-n1ccc(C[NH3+])c1 ZINC001169725128 928345702 /nfs/dbraw/zinc/34/57/02/928345702.db2.gz JIXVQGLBAHDLDD-UHFFFAOYSA-N 1 0 290.279 1.334 20 5 CDBDRO COc1nc(C)c(-n2ccc(C[NH3+])c2)cc1[N+](=O)[O-] ZINC001169725641 928346577 /nfs/dbraw/zinc/34/65/77/928346577.db2.gz ILAHLMQUNRSIPP-UHFFFAOYSA-N 1 0 262.269 1.556 20 5 CDBDRO CON(C)C(=O)[C@@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000858325103 928841089 /nfs/dbraw/zinc/84/10/89/928841089.db2.gz LQWZHYXXIDVHOF-BPOWMSRESA-N 1 0 293.323 1.606 20 5 CDBDRO Cc1nc(-n2ccc(C[NH3+])cc2=N)ccc1[N+](=O)[O-] ZINC001156850268 929013352 /nfs/dbraw/zinc/01/33/52/929013352.db2.gz VBFCZRZCLWOZFK-UHFFFAOYSA-N 1 0 259.269 1.027 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ncc1NC[C@@H]1COCC[NH2+]1 ZINC001170043936 929131470 /nfs/dbraw/zinc/13/14/70/929131470.db2.gz YMEQDYLMRQPIOF-SSDOTTSWSA-N 1 0 272.692 1.044 20 5 CDBDRO CC(C)(C)CCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001112835766 929478804 /nfs/dbraw/zinc/47/88/04/929478804.db2.gz OFSOFJTXDHMNHO-CHWSQXEVSA-N 1 0 297.399 1.622 20 5 CDBDRO CCC/C=C\CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001112835777 929479499 /nfs/dbraw/zinc/47/94/99/929479499.db2.gz OKZLGMOTBWCEMD-UUSXEQNQSA-N 1 0 295.383 1.542 20 5 CDBDRO O=C(NCC[NH+]1CC=CC1)Nc1cccc([N+](=O)[O-])c1 ZINC001116169506 937434373 /nfs/dbraw/zinc/43/43/73/937434373.db2.gz HHTKJZMIYNMENX-UHFFFAOYSA-N 1 0 276.296 1.588 20 5 CDBDRO Nc1c(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000818019033 930663527 /nfs/dbraw/zinc/66/35/27/930663527.db2.gz ZQOFGHFGIHLQSJ-CQSZACIVSA-N 1 0 290.323 1.145 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@](O)(C3CC3)C2)cc1 ZINC001116823125 937474244 /nfs/dbraw/zinc/47/42/44/937474244.db2.gz AHVWZEGNJGHTJC-CABCVRRESA-N 1 0 292.335 1.475 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH2+]C(C)C ZINC001118193222 937600959 /nfs/dbraw/zinc/60/09/59/937600959.db2.gz LNPLPQDFKNSCQR-UHFFFAOYSA-N 1 0 294.355 1.754 20 5 CDBDRO COc1nc(NC[C@H]2CCCC[NH2+]2)nc(C)c1[N+](=O)[O-] ZINC001171327917 932681165 /nfs/dbraw/zinc/68/11/65/932681165.db2.gz IJZPWFTWSRIVHW-SECBINFHSA-N 1 0 281.316 1.256 20 5 CDBDRO Cc1nc(N(c2ncccn2)C2C[NH2+]C2)ccc1[N+](=O)[O-] ZINC001155861882 937682983 /nfs/dbraw/zinc/68/29/83/937682983.db2.gz GWQLEGZOHBQEMA-UHFFFAOYSA-N 1 0 286.295 1.198 20 5 CDBDRO CC(C)CC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001122786480 936066006 /nfs/dbraw/zinc/06/60/06/936066006.db2.gz GKLWLXSAPKTBDI-UHFFFAOYSA-N 1 0 285.369 1.908 20 5 CDBDRO Nc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC001120798698 937836925 /nfs/dbraw/zinc/83/69/25/937836925.db2.gz OVCDUPLPSCRWKQ-VIFPVBQESA-N 1 0 277.328 1.468 20 5 CDBDRO CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001121087551 937856592 /nfs/dbraw/zinc/85/65/92/937856592.db2.gz MYWKFJROGFVJMN-UBDGZGRMSA-N 1 0 295.383 1.469 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC2(C[NH2+]C2)CC1 ZINC001122128591 937907559 /nfs/dbraw/zinc/90/75/59/937907559.db2.gz CDTPYXLXVXTQBY-UHFFFAOYSA-N 1 0 289.335 1.349 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]1C[C@]12CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC001122167672 937910152 /nfs/dbraw/zinc/91/01/52/937910152.db2.gz USDWJMHYOVGLSE-DGFSRKRXSA-N 1 0 289.335 1.772 20 5 CDBDRO CN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@]1(C)CCC[NH2+]C1 ZINC001156957742 938438617 /nfs/dbraw/zinc/43/86/17/938438617.db2.gz ZDQVSJXQOMCERS-LBPRGKRZSA-N 1 0 295.299 1.476 20 5 CDBDRO Cc1nc(N(C)[C@@]2(C)CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001156978067 938442782 /nfs/dbraw/zinc/44/27/82/938442782.db2.gz YFTROFPCILOFIS-LBPRGKRZSA-N 1 0 265.317 1.272 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(NC(=N)SCC[NH3+])n1 ZINC001157129276 938457741 /nfs/dbraw/zinc/45/77/41/938457741.db2.gz VNZJPICHSWLRMR-UHFFFAOYSA-N 1 0 289.748 1.990 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(-n2ccc3c2CC[NH2+]C3)n1 ZINC001157441747 938492167 /nfs/dbraw/zinc/49/21/67/938492167.db2.gz CGMBQSGRQGOGSX-UHFFFAOYSA-N 1 0 293.714 1.783 20 5 CDBDRO NC(=[NH2+])c1nccn1-c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001157621373 938521261 /nfs/dbraw/zinc/52/12/61/938521261.db2.gz JMEINOTUYOQBET-UHFFFAOYSA-N 1 0 283.251 1.008 20 5 CDBDRO O=C(NCCC[NH2+]CC1CC2(CCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767783 938543138 /nfs/dbraw/zinc/54/31/38/938543138.db2.gz UBBNYTUFNBMPFN-CHWSQXEVSA-N 1 0 295.383 1.328 20 5 CDBDRO COc1cc(NCC(C)(C)C[NH+](C)C)ncc1[N+](=O)[O-] ZINC001157941863 938567353 /nfs/dbraw/zinc/56/73/53/938567353.db2.gz FJNFPQWLCQYFQE-UHFFFAOYSA-N 1 0 282.344 1.998 20 5 CDBDRO COc1cc(-n2cc3c(n2)CC[C@H]([NH3+])C3)ncc1[N+](=O)[O-] ZINC001157987832 938572323 /nfs/dbraw/zinc/57/23/23/938572323.db2.gz INILORBNPWDUQZ-VIFPVBQESA-N 1 0 289.295 1.000 20 5 CDBDRO [NH3+]CCc1cnn(-c2cc(Cl)ncc2[N+](=O)[O-])c1 ZINC001158099432 938582639 /nfs/dbraw/zinc/58/26/39/938582639.db2.gz RGPVCUOALVRPKH-UHFFFAOYSA-N 1 0 267.676 1.330 20 5 CDBDRO [NH3+]Cc1cnnn1-c1nc2ccccc2cc1[N+](=O)[O-] ZINC001158423389 938621570 /nfs/dbraw/zinc/62/15/70/938621570.db2.gz RBKQVWMLHUDEDG-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3CC[C@@H]3C2)n1 ZINC001158432359 938624632 /nfs/dbraw/zinc/62/46/32/938624632.db2.gz JZPNTQLTWKTDJT-LLVKDONJSA-N 1 0 262.313 1.501 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2CCC[C@@](C)(C[NH3+])C2)n1 ZINC001158676269 938649322 /nfs/dbraw/zinc/64/93/22/938649322.db2.gz ZONUCCRJIIWSMA-LBPRGKRZSA-N 1 0 265.317 1.258 20 5 CDBDRO O=[N+]([O-])c1ccc2ccnc(NC[C@@H]3COCC[NH2+]3)c2c1 ZINC001159043296 938696510 /nfs/dbraw/zinc/69/65/10/938696510.db2.gz BTOLMUYYUUZPEL-LLVKDONJSA-N 1 0 288.307 1.543 20 5 CDBDRO C[C@@H](Nc1cc([N+](=O)[O-])cc(Cl)n1)[C@@H]1C[NH2+]CCO1 ZINC001159488184 938731819 /nfs/dbraw/zinc/73/18/19/938731819.db2.gz AOVZQPHMWZLEGI-APPZFPTMSA-N 1 0 286.719 1.432 20 5 CDBDRO COC(=O)c1ccnc(NC[C@@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC001160147911 938771307 /nfs/dbraw/zinc/77/13/07/938771307.db2.gz MEARIHGLKVWAOS-VIFPVBQESA-N 1 0 294.311 1.330 20 5 CDBDRO CC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001160152858 938772000 /nfs/dbraw/zinc/77/20/00/938772000.db2.gz IQXYWMXEHIGXBV-NSHDSACASA-N 1 0 277.324 1.761 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(Nc2cccc(CC[NH3+])c2)n1 ZINC001161079346 938869241 /nfs/dbraw/zinc/86/92/41/938869241.db2.gz VPUQWGIASIENDH-UHFFFAOYSA-N 1 0 273.296 1.938 20 5 CDBDRO Nc1nc(Nc2cccc(CC[NH3+])c2)ccc1[N+](=O)[O-] ZINC001161079029 938869331 /nfs/dbraw/zinc/86/93/31/938869331.db2.gz MQNWYPWQGMXOIQ-UHFFFAOYSA-N 1 0 273.296 1.817 20 5 CDBDRO Cc1cccc(NCCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC001161706030 938923455 /nfs/dbraw/zinc/92/34/55/938923455.db2.gz QXNUYBCOYZYXQW-UHFFFAOYSA-N 1 0 292.383 1.953 20 5 CDBDRO COC(=O)c1ccc(C[NH3+])n1-c1ncc(F)cc1[N+](=O)[O-] ZINC001161934975 938944548 /nfs/dbraw/zinc/94/45/48/938944548.db2.gz KDFXCCXWGJUXHX-UHFFFAOYSA-N 1 0 294.242 1.165 20 5 CDBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001162455325 939058886 /nfs/dbraw/zinc/05/88/86/939058886.db2.gz RRKDCNQACZOUDF-VHSXEESVSA-N 1 0 298.318 1.415 20 5 CDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1-n1nccc1C[NH3+] ZINC001162593593 939098091 /nfs/dbraw/zinc/09/80/91/939098091.db2.gz KWAJAXROMVVQIB-UHFFFAOYSA-N 1 0 290.279 1.416 20 5 CDBDRO COc1cc([N+](=O)[O-])c(N[C@@H]2CC[NH2+][C@@H]2C)cc1F ZINC001162678111 939112843 /nfs/dbraw/zinc/11/28/43/939112843.db2.gz WGAIMHONCMLSGX-VXNVDRBHSA-N 1 0 269.276 1.905 20 5 CDBDRO CC(C)(C)c1cnc(N[C@@H]2COC[C@@H]2[NH3+])c([N+](=O)[O-])c1 ZINC001162917042 939160749 /nfs/dbraw/zinc/16/07/49/939160749.db2.gz KFVYKOXDYGLOPG-VHSXEESVSA-N 1 0 280.328 1.425 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NCc2noc3c2C[NH2+]CC3)n1 ZINC001163131650 939208684 /nfs/dbraw/zinc/20/86/84/939208684.db2.gz IUBDEOJSRQYSOT-UHFFFAOYSA-N 1 0 289.295 1.544 20 5 CDBDRO C[C@@]1(C[NH3+])CCCN(c2cc([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001164241005 939439079 /nfs/dbraw/zinc/43/90/79/939439079.db2.gz ABLFCZNTJHHUFG-CYBMUJFWSA-N 1 0 280.328 1.184 20 5 CDBDRO [NH3+][C@@H]1CCN(c2nc(C3CC3)nc(Cl)c2[N+](=O)[O-])C1 ZINC001164275192 939444125 /nfs/dbraw/zinc/44/41/25/939444125.db2.gz FCIMOZQJECFCBT-SSDOTTSWSA-N 1 0 283.719 1.453 20 5 CDBDRO [NH3+]CCON=c1ccc2cc(F)cc([N+](=O)[O-])c2[nH]1 ZINC001164423430 939472537 /nfs/dbraw/zinc/47/25/37/939472537.db2.gz DOCRKKHWGOFVNK-UHFFFAOYSA-N 1 0 266.232 1.584 20 5 CDBDRO CC[NH+]1CCC(N(C)c2ncc([N+](=O)[O-])c(OC)n2)CC1 ZINC001165069209 939506076 /nfs/dbraw/zinc/50/60/76/939506076.db2.gz YHWTULVBGOPKRT-UHFFFAOYSA-N 1 0 295.343 1.314 20 5 CDBDRO C[NH+](C)C1(C)CN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001165121092 939513718 /nfs/dbraw/zinc/51/37/18/939513718.db2.gz FSXNEHNMXSRZDO-UHFFFAOYSA-N 1 0 287.323 1.678 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001165391489 939557234 /nfs/dbraw/zinc/55/72/34/939557234.db2.gz NZTNIUQMSDCOKQ-WCBMZHEXSA-N 1 0 252.249 1.070 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(N2CCO[C@@H](C[NH3+])C2)nc1Cl ZINC001166937541 939653382 /nfs/dbraw/zinc/65/33/82/939653382.db2.gz AVJLAVPIQHKJIF-QMMMGPOBSA-N 1 0 286.719 1.116 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCC(=O)Oc1ccccc1 ZINC001209955468 940653705 /nfs/dbraw/zinc/65/37/05/940653705.db2.gz RNICOFDVCFKIQC-GFCCVEGCSA-N 1 0 252.334 1.703 20 5 CDBDRO COC(=O)c1c(O[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC001218181073 941042375 /nfs/dbraw/zinc/04/23/75/941042375.db2.gz BZAHNWABGMNPSU-QMMMGPOBSA-N 1 0 266.253 1.122 20 5 CDBDRO COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@H]1CCC[NH2+]C1 ZINC001218283208 941051002 /nfs/dbraw/zinc/05/10/02/941051002.db2.gz HDTVJSUSHQMPPO-JTQLQIEISA-N 1 0 294.307 1.821 20 5 CDBDRO O=c1[nH]nc(O[C@H]2CCC[NH2+]C2)c2cc([N+](=O)[O-])ccc12 ZINC001218284059 941051686 /nfs/dbraw/zinc/05/16/86/941051686.db2.gz QBAOUAQMPRJLAD-VIFPVBQESA-N 1 0 290.279 1.374 20 5 CDBDRO COC(=O)c1cc(O[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC001218284398 941051773 /nfs/dbraw/zinc/05/17/73/941051773.db2.gz RBAZQLCJVZNIEJ-NSHDSACASA-N 1 0 280.280 1.512 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1ccc(N)c([N+](=O)[O-])c1 ZINC001218425153 941216196 /nfs/dbraw/zinc/21/61/96/941216196.db2.gz QTYVRGQEWNAQOI-PELKAZGASA-N 1 0 251.286 1.554 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1ccc(N)c([N+](=O)[O-])c1 ZINC001218483558 941221544 /nfs/dbraw/zinc/22/15/44/941221544.db2.gz RTXDYMSZIFVXIJ-PELKAZGASA-N 1 0 251.286 1.554 20 5 CDBDRO CC1(C)CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000720707077 941293816 /nfs/dbraw/zinc/29/38/16/941293816.db2.gz UWDCJVYTGDOYGB-NSHDSACASA-N 1 0 263.297 1.404 20 5 CDBDRO COc1ccc(CO[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001223513809 941683505 /nfs/dbraw/zinc/68/35/05/941683505.db2.gz IRYCMZJIFFNVIY-LBPRGKRZSA-N 1 0 266.297 1.824 20 5 CDBDRO COC(=O)c1cc(CO[C@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001223688854 941691069 /nfs/dbraw/zinc/69/10/69/941691069.db2.gz QQGDNKNFENACLP-SNVBAGLBSA-N 1 0 296.323 1.848 20 5 CDBDRO C[N+](C)(C)CCCO[C@@H]1CCN(c2ccnc(Cl)n2)C1 ZINC001224621403 941776863 /nfs/dbraw/zinc/77/68/63/941776863.db2.gz SXMDLRGQXTVBSG-GFCCVEGCSA-N 1 0 299.826 1.822 20 5 CDBDRO COC(=O)[C@@H](OCC[N+](C)(C)C)c1ccccc1 ZINC001224771132 941790368 /nfs/dbraw/zinc/79/03/68/941790368.db2.gz HBNJLXYMABKVQB-ZDUSSCGKSA-N 1 0 252.334 1.624 20 5 CDBDRO CC(=O)N1CCC[C@H](CO[C@@H](C)C[N+](C)(C)C)C1 ZINC001225171909 941827818 /nfs/dbraw/zinc/82/78/18/941827818.db2.gz AUJFUAPIJGFLCS-JSGCOSHPSA-N 1 0 257.398 1.356 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOc2nccc(C)c2[N+](=O)[O-])C1 ZINC001226120804 941954229 /nfs/dbraw/zinc/95/42/29/941954229.db2.gz WUDRFBLFOGEMDQ-LLVKDONJSA-N 1 0 281.312 1.398 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226169134 941962428 /nfs/dbraw/zinc/96/24/28/941962428.db2.gz ZCQCQRYALWSYCE-LLVKDONJSA-N 1 0 293.323 1.555 20 5 CDBDRO COc1cc(OCC[N@H+]2CC[C@@H](OC)C2)ncc1[N+](=O)[O-] ZINC001226579038 942030122 /nfs/dbraw/zinc/03/01/22/942030122.db2.gz MVNLRKCVZNSGMX-SNVBAGLBSA-N 1 0 297.311 1.098 20 5 CDBDRO COC(=O)Cc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001226931110 942095872 /nfs/dbraw/zinc/09/58/72/942095872.db2.gz ZWSCZTJQKYQQLC-LBPRGKRZSA-N 1 0 266.361 1.876 20 5 CDBDRO COC(=O)c1cc(O)c(O[C@H](C)C[N+](C)(C)C)c(O)c1 ZINC001227530884 942184005 /nfs/dbraw/zinc/18/40/05/942184005.db2.gz MCMWPWZRUMFTCC-SECBINFHSA-O 1 0 284.332 1.358 20 5 CDBDRO CN(C)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001227939109 942246238 /nfs/dbraw/zinc/24/62/38/942246238.db2.gz LVBQGAQLHTYGLO-CYBMUJFWSA-N 1 0 281.376 1.115 20 5 CDBDRO CCOC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)cn1 ZINC001233496039 943601590 /nfs/dbraw/zinc/60/15/90/943601590.db2.gz VXXVLLYTYLHISX-LLVKDONJSA-N 1 0 267.349 1.732 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001263103795 943746216 /nfs/dbraw/zinc/74/62/16/943746216.db2.gz MEDOJIFZKVCLAQ-OASPWFOLSA-N 1 0 277.324 1.409 20 5 CDBDRO C[C@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C)c1ccccc1[N+](=O)[O-] ZINC001263236364 943799018 /nfs/dbraw/zinc/79/90/18/943799018.db2.gz LKSQRQJNRXFVLL-MDZLAQPJSA-N 1 0 291.351 1.813 20 5 CDBDRO Cc1nccc([N+](=O)[O-])c1O[C@@H](C)C[N+](C)(C)C ZINC001234901310 943968643 /nfs/dbraw/zinc/96/86/43/943968643.db2.gz ONROSRWYSUGIOH-VIFPVBQESA-N 1 0 254.310 1.772 20 5 CDBDRO C[NH+]1CCN(C(C)(C)CNc2cccnc2[N+](=O)[O-])CC1 ZINC001261860404 946308478 /nfs/dbraw/zinc/30/84/78/946308478.db2.gz WYMJXXZBSLUTKL-UHFFFAOYSA-N 1 0 293.371 1.428 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC001254551810 947519905 /nfs/dbraw/zinc/51/99/05/947519905.db2.gz GANABDGCEVRGNV-WDMOLILDSA-N 1 0 264.325 1.838 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](F)[C@H](O)C1 ZINC001254550180 947521076 /nfs/dbraw/zinc/52/10/76/947521076.db2.gz DZRWVSFZKDYIJP-SCDSUCTJSA-N 1 0 282.315 1.931 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCC[NH3+])C(=O)[O-] ZINC001254549106 947522840 /nfs/dbraw/zinc/52/28/40/947522840.db2.gz RSDDRDGEFZKVNO-PWSUYJOCSA-N 1 0 295.339 1.308 20 5 CDBDRO Cc1cnc(CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)nc1 ZINC001254565205 947528648 /nfs/dbraw/zinc/52/86/48/947528648.db2.gz CGFXMBIOHZLRGW-CQSZACIVSA-N 1 0 298.346 1.993 20 5 CDBDRO CN1CCC[C@H]1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572577 947532875 /nfs/dbraw/zinc/53/28/75/947532875.db2.gz QNWDYANVXLWXKF-HIFRSBDPSA-N 1 0 275.352 1.746 20 5 CDBDRO [NH3+]CCc1cnn([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254573563 947533927 /nfs/dbraw/zinc/53/39/27/947533927.db2.gz BWFUEUDNAWWOAN-CQSZACIVSA-N 1 0 272.308 1.632 20 5 CDBDRO [NH3+]Cc1nccnc1N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254578113 947535417 /nfs/dbraw/zinc/53/54/17/947535417.db2.gz ADVASEFBRZWYSV-NSHDSACASA-N 1 0 285.307 1.423 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ncccc1O)C2 ZINC001254577159 947535595 /nfs/dbraw/zinc/53/55/95/947535595.db2.gz BZMZZMXQAPMIPT-LBPRGKRZSA-N 1 0 285.303 1.952 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCc1cnccn1)C2 ZINC001254576519 947535961 /nfs/dbraw/zinc/53/59/61/947535961.db2.gz WTPGKVCTNFDKRK-CQSZACIVSA-N 1 0 284.319 1.684 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@@H]1O)C2 ZINC001254585394 947539878 /nfs/dbraw/zinc/53/98/78/947539878.db2.gz WMHNBDSLCPGADD-BNOWGMLFSA-N 1 0 262.309 1.565 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC3(C1)CCOC3)C2 ZINC001254597902 947544714 /nfs/dbraw/zinc/54/47/14/947544714.db2.gz IYPIZSKMKDTHRS-CQSZACIVSA-N 1 0 274.320 1.784 20 5 CDBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596059 947545985 /nfs/dbraw/zinc/54/59/85/947545985.db2.gz BHWWBUPVZYKINQ-IFUGULHKSA-N 1 0 276.336 1.765 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@@H](O)CC1)C2 ZINC001254600847 947548884 /nfs/dbraw/zinc/54/88/84/947548884.db2.gz VVPHNJCQSJAYKT-LSDHHAIUSA-N 1 0 276.336 1.909 20 5 CDBDRO CC(=O)N[C@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605561 947552638 /nfs/dbraw/zinc/55/26/38/947552638.db2.gz BOTRWGFCVGKJCD-ZFWWWQNUSA-N 1 0 289.335 1.272 20 5 CDBDRO [NH3+]CC[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000723690138 947779549 /nfs/dbraw/zinc/77/95/49/947779549.db2.gz MGCKXMRUGGEQBA-SNVBAGLBSA-N 1 0 263.297 1.406 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C[NH3+] ZINC001246913712 948516273 /nfs/dbraw/zinc/51/62/73/948516273.db2.gz KPSGAXPIAQUHOM-BXUZGUMPSA-N 1 0 263.341 1.949 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1C[C@@H]3C[NH2+]C[C@@H]31)CC2 ZINC001246917132 948517695 /nfs/dbraw/zinc/51/76/95/948517695.db2.gz KBAGLDSWPDHUQU-LZWOXQAQSA-N 1 0 287.363 1.746 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CC23C[NH2+]C3)n1 ZINC001247871618 948834177 /nfs/dbraw/zinc/83/41/77/948834177.db2.gz ORHPASJWRCRACW-ZETCQYMHSA-N 1 0 291.242 1.256 20 5 CDBDRO C[N@@H+]1CC[C@@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001248124414 948944364 /nfs/dbraw/zinc/94/43/64/948944364.db2.gz GFTMBEWTIJKMLV-SSDOTTSWSA-N 1 0 293.258 1.598 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH3+])CC1 ZINC001326203463 954263768 /nfs/dbraw/zinc/26/37/68/954263768.db2.gz CROMMRLBGKVGTG-UHFFFAOYSA-N 1 0 278.312 1.200 20 5 CDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC([NH+](C)C)C1 ZINC001326345161 954330282 /nfs/dbraw/zinc/33/02/82/954330282.db2.gz ZXFIXFWKFZEBAT-UHFFFAOYSA-N 1 0 281.287 1.428 20 5 CDBDRO C[NH+](C)CCONC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001328382827 955280068 /nfs/dbraw/zinc/28/00/68/955280068.db2.gz KATGXYOSYOIIJM-UHFFFAOYSA-N 1 0 292.295 1.299 20 5 CDBDRO C[C@@H]1[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC001303802352 956121496 /nfs/dbraw/zinc/12/14/96/956121496.db2.gz VGHZPNAYCFBZFF-GMSGAONNSA-N 1 0 296.302 1.139 20 5 CDBDRO COCCOC[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001308283709 956509146 /nfs/dbraw/zinc/50/91/46/956509146.db2.gz BUHXBSAUJTVCQZ-LLVKDONJSA-N 1 0 268.313 1.736 20 5 CDBDRO C[C@]([NH3+])(C(=O)NC[C@@H]1C=CCC1)c1cccc([N+](=O)[O-])c1 ZINC001332015773 957401318 /nfs/dbraw/zinc/40/13/18/957401318.db2.gz XZACHRXBEYMTNU-IAQYHMDHSA-N 1 0 289.335 1.851 20 5 CDBDRO Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001318497219 958138916 /nfs/dbraw/zinc/13/89/16/958138916.db2.gz XPDPQXFFWPJHDU-NXEZZACHSA-N 1 0 295.343 1.229 20 5 CDBDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]CC[N+](=O)[O-])CC1 ZINC001334111639 958847616 /nfs/dbraw/zinc/84/76/16/958847616.db2.gz KXFQHSQZYZEBFF-SNVBAGLBSA-N 1 0 273.333 1.110 20 5 CDBDRO C[C@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC001335316877 959703149 /nfs/dbraw/zinc/70/31/49/959703149.db2.gz FFNZIPYHZZGQTR-GAFUQQFSSA-N 1 0 290.323 1.412 20 5 CDBDRO C[C@@H](NC(=O)N[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001336907194 960729653 /nfs/dbraw/zinc/72/96/53/960729653.db2.gz RJHRNBFBBZXALH-ZYHUDNBSSA-N 1 0 292.339 1.707 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001337466446 961213571 /nfs/dbraw/zinc/21/35/71/961213571.db2.gz YERALDBRZFSZHY-SNVBAGLBSA-N 1 0 295.314 1.948 20 5 CDBDRO CN(CC[NH+]1CCCCC1)c1cc(N)c([N+](=O)[O-])cn1 ZINC001337918619 961512099 /nfs/dbraw/zinc/51/20/99/961512099.db2.gz VLMSJXXCGRYINC-UHFFFAOYSA-N 1 0 279.344 1.494 20 5 CDBDRO [NH3+][C@@H]1C[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C12CCC2 ZINC001341654835 963499707 /nfs/dbraw/zinc/49/97/07/963499707.db2.gz DMKBBIFBPKEDAE-GHMZBOCLSA-N 1 0 293.298 1.734 20 5 CDBDRO Cc1cc(NC(=O)[C@@H]2CCCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC001342243546 963684229 /nfs/dbraw/zinc/68/42/29/963684229.db2.gz KVTRRYXQRDTEEY-LBPRGKRZSA-N 1 0 263.297 1.984 20 5 CDBDRO C[C@@H](CC[NH+]1CCCC1)OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001345534425 964726801 /nfs/dbraw/zinc/72/68/01/964726801.db2.gz PUHXHQIHAABOQZ-HBNTYKKESA-N 1 0 256.302 1.069 20 5 CDBDRO CN(CCNC(=O)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC001100299670 967941535 /nfs/dbraw/zinc/94/15/35/967941535.db2.gz RYVFYJIPUKAKAS-UHFFFAOYSA-N 1 0 294.355 1.099 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001515986012 969925807 /nfs/dbraw/zinc/92/58/07/969925807.db2.gz BJMJNDHPIRJHHU-DOMZBBRYSA-N 1 0 292.383 1.949 20 5 CDBDRO COc1ccc(NC(=O)N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001517314298 969975645 /nfs/dbraw/zinc/97/56/45/969975645.db2.gz RZABIEDEZLGMKQ-VIFPVBQESA-N 1 0 296.327 1.675 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000089090803 1173979329 /nfs/dbraw/zinc/97/93/29/1173979329.db2.gz PVNMNALHKVOMRO-DGCLKSJQSA-N 1 0 277.324 1.381 20 5 CDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC1(C)C[NH2+]C1 ZINC001575925157 1171297169 /nfs/dbraw/zinc/29/71/69/1171297169.db2.gz VKYMZMIOQNRLFA-JTQLQIEISA-N 1 0 292.339 1.263 20 5 CDBDRO COc1ccc(C[N@@H+]2CCC[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC000124379879 187135038 /nfs/dbraw/zinc/13/50/38/187135038.db2.gz HBLAPHNTARKRIQ-CQSZACIVSA-N 1 0 280.324 1.950 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1-c1cnn2c1C[NH2+]CC2 ZINC000675075962 539085380 /nfs/dbraw/zinc/08/53/80/539085380.db2.gz HJFCRGULDZDMOJ-UHFFFAOYSA-N 1 0 262.244 1.701 20 5 CDBDRO CC[C@@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)OC ZINC000589326539 342503366 /nfs/dbraw/zinc/50/33/66/342503366.db2.gz XOUVLVLIELAOMZ-NSHDSACASA-N 1 0 296.323 1.881 20 5 CDBDRO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)C1CCCC1 ZINC000330601701 282088716 /nfs/dbraw/zinc/08/87/16/282088716.db2.gz GSGAEWWDGGUCOX-UHFFFAOYSA-N 1 0 295.343 1.264 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1NCC[N@H+]1CC[C@H](O)C1 ZINC000599199661 343979647 /nfs/dbraw/zinc/97/96/47/343979647.db2.gz OTVKULCWEHDEMJ-VIFPVBQESA-N 1 0 269.276 1.212 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2C[C@@H](CO)C2)n1 ZINC000601292261 342549841 /nfs/dbraw/zinc/54/98/41/342549841.db2.gz TUBZERHQBNUBFG-YVECIDJPSA-N 1 0 294.355 1.636 20 5 CDBDRO CC1(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000384751899 365537171 /nfs/dbraw/zinc/53/71/71/365537171.db2.gz BFHGSBRDOVGJMY-DAXSKMNVSA-N 1 0 289.335 1.866 20 5 CDBDRO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000564966815 365559095 /nfs/dbraw/zinc/55/90/95/365559095.db2.gz PIVVEKFEYKDDNF-ZKYQVNSYSA-N 1 0 280.324 1.968 20 5 CDBDRO O=[N+]([O-])c1cccc2c1ccnc2N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000590686257 342582879 /nfs/dbraw/zinc/58/28/79/342582879.db2.gz WXOKNQKPCGIQQD-QWRGUYRKSA-N 1 0 284.319 1.799 20 5 CDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])nc1 ZINC000590693296 342583439 /nfs/dbraw/zinc/58/34/39/342583439.db2.gz QUSKTRYFHJSZSA-PWSUYJOCSA-N 1 0 264.329 1.766 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000384766829 365609267 /nfs/dbraw/zinc/60/92/67/365609267.db2.gz NVYWJYDYJKWLOK-SVJDAXRGSA-N 1 0 289.335 1.804 20 5 CDBDRO Cc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000609222320 342097206 /nfs/dbraw/zinc/09/72/06/342097206.db2.gz AQXQSWBRLLEENR-UHFFFAOYSA-N 1 0 260.297 1.959 20 5 CDBDRO COCC[N@@H+]1CC[C@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000609350689 342103705 /nfs/dbraw/zinc/10/37/05/342103705.db2.gz JNXMUPWBCMHBLQ-JTQLQIEISA-N 1 0 266.301 1.122 20 5 CDBDRO Cc1ccc(C(=O)N2CCC3(C[NH+](C)C3)C2)cc1[N+](=O)[O-] ZINC000618920890 349556260 /nfs/dbraw/zinc/55/62/60/349556260.db2.gz HQHSFWHNBTZPQA-UHFFFAOYSA-N 1 0 289.335 1.681 20 5 CDBDRO COc1ccc(NC(=O)NCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000591297644 342624413 /nfs/dbraw/zinc/62/44/13/342624413.db2.gz UGVAPJTYYNLOCU-UHFFFAOYSA-N 1 0 294.311 1.477 20 5 CDBDRO C[NH2+]C1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000591445486 342632716 /nfs/dbraw/zinc/63/27/16/342632716.db2.gz MUZRVFJULGPHPT-UHFFFAOYSA-N 1 0 287.323 1.726 20 5 CDBDRO O=[N+]([O-])c1c(N2CC[C@H]3CC[NH2+][C@@H]3C2)nc2sccn21 ZINC000591438093 342632041 /nfs/dbraw/zinc/63/20/41/342632041.db2.gz KWYHARGUZJBLCT-RKDXNWHRSA-N 1 0 293.352 1.492 20 5 CDBDRO CN(CCC[NH3+])C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000591678873 342641611 /nfs/dbraw/zinc/64/16/11/342641611.db2.gz HFFLMWONIKJCIH-UHFFFAOYSA-N 1 0 283.353 1.494 20 5 CDBDRO COc1cc(C(=O)NCC[NH2+]C2CC2)cc([N+](=O)[O-])c1C ZINC000591679228 342641735 /nfs/dbraw/zinc/64/17/35/342641735.db2.gz QPMOAKJGWXVDEY-UHFFFAOYSA-N 1 0 293.323 1.394 20 5 CDBDRO CC1(F)CC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591768221 342645940 /nfs/dbraw/zinc/64/59/40/342645940.db2.gz QPGRAZRUECWWHB-IQLKVPPVSA-N 1 0 298.314 1.815 20 5 CDBDRO Cn1c(-c2nc([C@@H]3CCC[NH2+]3)no2)ccc1[N+](=O)[O-] ZINC000592356749 342687914 /nfs/dbraw/zinc/68/79/14/342687914.db2.gz HUMARRNNQCCCOK-ZETCQYMHSA-N 1 0 263.257 1.408 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(OC[C@H]2CC[NH2+]C2)n1 ZINC000592165098 342671028 /nfs/dbraw/zinc/67/10/28/342671028.db2.gz POKLHXXPQFRCIU-JTQLQIEISA-N 1 0 251.286 1.595 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000592428607 342694910 /nfs/dbraw/zinc/69/49/10/342694910.db2.gz GESOCOTXLDGCQE-HKBBKRBJSA-N 1 0 291.351 1.656 20 5 CDBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000592472610 342698646 /nfs/dbraw/zinc/69/86/46/342698646.db2.gz HVOQCOOUKGVVGS-SECBINFHSA-N 1 0 253.277 1.528 20 5 CDBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CC[N@H+](C)C1 ZINC000592830046 342741426 /nfs/dbraw/zinc/74/14/26/342741426.db2.gz AZZNVKFMTIIGOU-LLVKDONJSA-N 1 0 294.355 1.490 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@]2(O)CCCOC2)cc1 ZINC000593690957 342823484 /nfs/dbraw/zinc/82/34/84/342823484.db2.gz CTJVRNXZQDWXRY-CQSZACIVSA-N 1 0 280.324 1.616 20 5 CDBDRO Cc1nn(C)c(N(C)CC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000593516497 342805713 /nfs/dbraw/zinc/80/57/13/342805713.db2.gz OOSPWSDMWAXFRX-UHFFFAOYSA-N 1 0 281.360 1.559 20 5 CDBDRO C[C@@H]([NH2+][C@H](CO)CCF)c1cccc([N+](=O)[O-])c1 ZINC000593718731 342828604 /nfs/dbraw/zinc/82/86/04/342828604.db2.gz QBZFESTWGYRGPA-KOLCDFICSA-N 1 0 256.277 1.966 20 5 CDBDRO C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1CC[NH3+] ZINC000593733973 342830573 /nfs/dbraw/zinc/83/05/73/342830573.db2.gz PPURBMXHFYJSHS-WCQYABFASA-N 1 0 281.360 1.241 20 5 CDBDRO Cc1ncc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(=O)[nH]1 ZINC000344324758 282154069 /nfs/dbraw/zinc/15/40/69/282154069.db2.gz HJVNTCMZLCIELG-UHFFFAOYSA-N 1 0 274.280 1.689 20 5 CDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]CC1 ZINC000593903782 342854046 /nfs/dbraw/zinc/85/40/46/342854046.db2.gz NMKWOKVQKUDPSW-ZDUSSCGKSA-N 1 0 291.351 1.643 20 5 CDBDRO CC1(C)CC(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC(C)(C)[NH2+]1 ZINC000588738199 342220476 /nfs/dbraw/zinc/22/04/76/342220476.db2.gz OQIXRDXCZVQZQL-UHFFFAOYSA-N 1 0 294.355 1.962 20 5 CDBDRO C[NH2+][C@@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000594431137 342897808 /nfs/dbraw/zinc/89/78/08/342897808.db2.gz IHISGGCEAXMOSL-NSHDSACASA-N 1 0 279.340 1.940 20 5 CDBDRO O=C1NCCCC[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594495370 342914103 /nfs/dbraw/zinc/91/41/03/342914103.db2.gz VPBMNQVXZMBYKB-CHWSQXEVSA-N 1 0 289.335 1.840 20 5 CDBDRO C[NH2+]C1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000600823685 342251382 /nfs/dbraw/zinc/25/13/82/342251382.db2.gz IMNWEBDXMDOEIF-UHFFFAOYSA-N 1 0 277.324 1.396 20 5 CDBDRO CC[C@](C)([NH3+])c1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594649887 342932149 /nfs/dbraw/zinc/93/21/49/342932149.db2.gz PWMDJHQDXBUNCC-NSHDSACASA-N 1 0 262.273 1.154 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000127800400 342285384 /nfs/dbraw/zinc/28/53/84/342285384.db2.gz QWLXJDHUANFORF-GXFFZTMASA-N 1 0 293.323 1.091 20 5 CDBDRO C[C@@H](C[NH+](C)C)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594955360 342983041 /nfs/dbraw/zinc/98/30/41/342983041.db2.gz PNSAQXVMYDCNMF-JTQLQIEISA-N 1 0 295.339 1.406 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2C[C@H](O)C2)n1 ZINC000595100864 343004244 /nfs/dbraw/zinc/00/42/44/343004244.db2.gz BOIDMBNMNTWNTJ-FIQHERPVSA-N 1 0 280.328 1.388 20 5 CDBDRO CC(C)(C)[NH2+]CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000075650979 342314105 /nfs/dbraw/zinc/31/41/05/342314105.db2.gz QGJOKKTXBOJGLM-UHFFFAOYSA-N 1 0 279.340 1.642 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH2+]C(C)(C)C ZINC000075650790 342314157 /nfs/dbraw/zinc/31/41/57/342314157.db2.gz JDWRVMMZQZYZRL-UHFFFAOYSA-N 1 0 295.339 1.721 20 5 CDBDRO Cc1noc(CN2CC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000595305744 343031155 /nfs/dbraw/zinc/03/11/55/343031155.db2.gz JVRSMAIZNFBPSM-LLVKDONJSA-N 1 0 280.328 1.561 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000076836023 342323791 /nfs/dbraw/zinc/32/37/91/342323791.db2.gz RBWWMFAFUHSDES-NSHDSACASA-N 1 0 279.344 1.393 20 5 CDBDRO CC[NH+](CC)C[C@@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000078559820 342338338 /nfs/dbraw/zinc/33/83/38/342338338.db2.gz PIMVYVWOPUUHPN-JTQLQIEISA-N 1 0 294.359 1.135 20 5 CDBDRO O=C1CC[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000595730029 343141586 /nfs/dbraw/zinc/14/15/86/343141586.db2.gz ZIOCHRCQELCBLV-WCQYABFASA-N 1 0 289.335 1.695 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000595983988 343211571 /nfs/dbraw/zinc/21/15/71/343211571.db2.gz SPGCKGBVWYKNEE-MRVPVSSYSA-N 1 0 285.731 1.515 20 5 CDBDRO C[NH+](C)[C@H](CNc1c(Cl)cncc1[N+](=O)[O-])C1CC1 ZINC000596114236 343230698 /nfs/dbraw/zinc/23/06/98/343230698.db2.gz KYJCCXMWPIVXMQ-SNVBAGLBSA-N 1 0 284.747 1.817 20 5 CDBDRO Cc1cc(NCCOCC[NH+](C)C)c([N+](=O)[O-])s1 ZINC000596182646 343250722 /nfs/dbraw/zinc/25/07/22/343250722.db2.gz DSSFJTPRMKKYMG-UHFFFAOYSA-N 1 0 273.358 1.955 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000085361005 342381380 /nfs/dbraw/zinc/38/13/80/342381380.db2.gz QDYWYUMZYXLDRD-UHFFFAOYSA-N 1 0 295.339 1.384 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087356825 342385080 /nfs/dbraw/zinc/38/50/80/342385080.db2.gz GTHKOBVTONRFBU-LBPRGKRZSA-N 1 0 293.367 1.984 20 5 CDBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000596269603 343281188 /nfs/dbraw/zinc/28/11/88/343281188.db2.gz UXOJZONZFBHDNB-NSHDSACASA-N 1 0 264.329 1.910 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CCNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596272238 343294124 /nfs/dbraw/zinc/29/41/24/343294124.db2.gz VGRDZTRLBYFWBT-JTQLQIEISA-N 1 0 280.328 1.839 20 5 CDBDRO O=C1[C@@H](NCc2csc([N+](=O)[O-])c2)C[C@@H]2CCCCN12 ZINC000453622178 252329361 /nfs/dbraw/zinc/32/93/61/252329361.db2.gz JHENWNDJSMVVIQ-QWRGUYRKSA-N 1 0 295.364 1.899 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2N[C@H]2CC[NH2+]C2)n1 ZINC000596647771 343370632 /nfs/dbraw/zinc/37/06/32/343370632.db2.gz BGAWBDCGGXPTHZ-SRVKXCTJSA-N 1 0 279.344 1.227 20 5 CDBDRO C[NH2+]C[C@H](C)N[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000596654659 343372372 /nfs/dbraw/zinc/37/23/72/343372372.db2.gz LHSUXDJNTNNSMF-QJPTWQEYSA-N 1 0 281.360 1.473 20 5 CDBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000150081333 342436799 /nfs/dbraw/zinc/43/67/99/342436799.db2.gz GSGNVKVCJOQEEW-UHFFFAOYSA-N 1 0 272.308 1.895 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000619567051 349805598 /nfs/dbraw/zinc/80/55/98/349805598.db2.gz LHKYMSDWPDNMNI-JTQLQIEISA-N 1 0 295.343 1.183 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH2+][C@H](C)C1 ZINC000092457002 342412571 /nfs/dbraw/zinc/41/25/71/342412571.db2.gz XMXZRRHXRPKBQS-LLVKDONJSA-N 1 0 279.340 1.787 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[C@@H](C)[NH+](C)C ZINC000597990985 343681603 /nfs/dbraw/zinc/68/16/03/343681603.db2.gz BZYBDILPCIWZIQ-LLVKDONJSA-N 1 0 279.340 1.973 20 5 CDBDRO Cc1ccc(C(=O)N2CC[NH2+][C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000598576364 343834175 /nfs/dbraw/zinc/83/41/75/343834175.db2.gz RTMGBYUDVXELMK-ZDUSSCGKSA-N 1 0 291.351 1.973 20 5 CDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)Cc1ccccc1[N+](=O)[O-])C2 ZINC000598667446 343862711 /nfs/dbraw/zinc/86/27/11/343862711.db2.gz HONVHSLEWNFASN-DOMZBBRYSA-N 1 0 289.335 1.477 20 5 CDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2 ZINC000598668241 343871238 /nfs/dbraw/zinc/87/12/38/343871238.db2.gz QZOXYQWFTRLFSR-IUODEOHRSA-N 1 0 289.335 1.477 20 5 CDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000598668474 343871246 /nfs/dbraw/zinc/87/12/46/343871246.db2.gz UHBYHSQVDAJIHP-RISCZKNCSA-N 1 0 275.308 1.548 20 5 CDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000598668106 343871344 /nfs/dbraw/zinc/87/13/44/343871344.db2.gz QFAAZODHELMRAT-UFBFGSQYSA-N 1 0 281.337 1.610 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000612108247 347023395 /nfs/dbraw/zinc/02/33/95/347023395.db2.gz VHAQYTPGSCOXRN-JHJVBQTASA-N 1 0 292.335 1.819 20 5 CDBDRO C[C@]1(CO)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000599623349 344097607 /nfs/dbraw/zinc/09/76/07/344097607.db2.gz MEBNMZVBSWBGAA-GASCZTMLSA-N 1 0 294.351 1.408 20 5 CDBDRO C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000602068048 344332361 /nfs/dbraw/zinc/33/23/61/344332361.db2.gz AVGZMMCYTPNXLY-NXEZZACHSA-N 1 0 265.313 1.722 20 5 CDBDRO CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000601979574 344306133 /nfs/dbraw/zinc/30/61/33/344306133.db2.gz JNCWMTWKABKDRL-SNVBAGLBSA-N 1 0 285.731 1.361 20 5 CDBDRO CC[NH2+][C@H](C)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000602442515 344430417 /nfs/dbraw/zinc/43/04/17/344430417.db2.gz CBFNLDNJMAMDAK-SNVBAGLBSA-N 1 0 265.313 1.551 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000602597635 344503605 /nfs/dbraw/zinc/50/36/05/344503605.db2.gz WKGWHXVHCGLKRS-HTRCEHHLSA-N 1 0 255.299 1.218 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000602601341 344505418 /nfs/dbraw/zinc/50/54/18/344505418.db2.gz KNUWBARKXFGXPH-IUCAKERBSA-N 1 0 293.348 1.503 20 5 CDBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000602527066 344454352 /nfs/dbraw/zinc/45/43/52/344454352.db2.gz JKOQHNSGRNNHGI-CYBMUJFWSA-N 1 0 277.324 1.665 20 5 CDBDRO CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC000602590801 344480052 /nfs/dbraw/zinc/48/00/52/344480052.db2.gz ZXDCNRQHXWBFER-AAEUAGOBSA-N 1 0 289.335 1.445 20 5 CDBDRO CO[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000602638036 344510688 /nfs/dbraw/zinc/51/06/88/344510688.db2.gz QRBBMVGGXVRYKL-ZDUSSCGKSA-N 1 0 290.323 1.986 20 5 CDBDRO CSC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000602921871 344650875 /nfs/dbraw/zinc/65/08/75/344650875.db2.gz AZVBXVWHCRHIQK-UHFFFAOYSA-N 1 0 297.380 1.584 20 5 CDBDRO CO[C@H]1C[C@@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])C1(C)C ZINC000602843580 344622487 /nfs/dbraw/zinc/62/24/87/344622487.db2.gz XTWQZSIHBNLXJU-MNOVXSKESA-N 1 0 282.344 1.503 20 5 CDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CC[NH+](C)CC1 ZINC000604551739 344902699 /nfs/dbraw/zinc/90/26/99/344902699.db2.gz BLFHYNJTRJWXKQ-VIFPVBQESA-N 1 0 280.328 1.383 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344242868 362558919 /nfs/dbraw/zinc/55/89/19/362558919.db2.gz PCSZIJZHWKSUKW-GFCCVEGCSA-N 1 0 295.314 1.948 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000129205434 345274909 /nfs/dbraw/zinc/27/49/09/345274909.db2.gz GKLRTLPEKCZUDD-LDYMZIIASA-N 1 0 281.287 1.686 20 5 CDBDRO C[C@H](O)CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000072713004 345603205 /nfs/dbraw/zinc/60/32/05/345603205.db2.gz CQRHBULFKLUPLM-QWRGUYRKSA-N 1 0 295.339 1.625 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000617491695 345659502 /nfs/dbraw/zinc/65/95/02/345659502.db2.gz JSELWRQFPAIPHF-NSHDSACASA-N 1 0 264.329 1.910 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000129584891 345640413 /nfs/dbraw/zinc/64/04/13/345640413.db2.gz BPCGYPLCVYFEHK-OLZOCXBDSA-N 1 0 280.324 1.852 20 5 CDBDRO CNC(=O)c1ccc(N2C[C@@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000212617673 346155099 /nfs/dbraw/zinc/15/50/99/346155099.db2.gz JAQNKJGNSXGHTN-AOOOYVTPSA-N 1 0 292.339 1.141 20 5 CDBDRO Cc1nc(N(C)[C@@H](C)C2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000295129425 199361190 /nfs/dbraw/zinc/36/11/90/199361190.db2.gz XYGAVNOSAHKCAY-NSHDSACASA-N 1 0 293.371 1.860 20 5 CDBDRO CC[N@@H+]1CCN(c2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000611084731 346604137 /nfs/dbraw/zinc/60/41/37/346604137.db2.gz OVSNZTSNINLNPO-JTQLQIEISA-N 1 0 250.302 1.520 20 5 CDBDRO COCC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000273309428 192107928 /nfs/dbraw/zinc/10/79/28/192107928.db2.gz TXTUAMZDFISVFU-LBPRGKRZSA-N 1 0 294.311 1.752 20 5 CDBDRO Cc1c(C(=O)N2CCC3(C[NH+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000618920881 348588337 /nfs/dbraw/zinc/58/83/37/348588337.db2.gz GLVJFIPTIAXRAJ-UHFFFAOYSA-N 1 0 289.335 1.681 20 5 CDBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)C[C@@H]1[NH+](C)C ZINC000271025697 190912896 /nfs/dbraw/zinc/91/28/96/190912896.db2.gz GLCXSXYBEHOPQO-NWDGAFQWSA-N 1 0 296.396 1.780 20 5 CDBDRO COC[C@H](O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090953151 180073493 /nfs/dbraw/zinc/07/34/93/180073493.db2.gz WWIHGFBXRVRQKH-ZWNOBZJWSA-N 1 0 268.313 1.643 20 5 CDBDRO CCN1CC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000619823305 350856774 /nfs/dbraw/zinc/85/67/74/350856774.db2.gz NKIBSTRXOILBJM-GXFFZTMASA-N 1 0 277.324 1.866 20 5 CDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000209369124 351119993 /nfs/dbraw/zinc/11/99/93/351119993.db2.gz HICSEWZBGYUEOV-LJXRPBPOSA-N 1 0 287.319 1.428 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000156506218 351507276 /nfs/dbraw/zinc/50/72/76/351507276.db2.gz AVLBKWYEVYNHND-RNCFNFMXSA-N 1 0 299.758 1.796 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1csc([N+](=O)[O-])c1 ZINC000130352492 187488160 /nfs/dbraw/zinc/48/81/60/187488160.db2.gz OKADLERHYGSCIU-VIFPVBQESA-N 1 0 271.342 1.904 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CCC[NH2+]CC1 ZINC000231470432 140215768 /nfs/dbraw/zinc/21/57/68/140215768.db2.gz FAYCTTQZTHGVHD-VIFPVBQESA-N 1 0 267.285 1.402 20 5 CDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000122125932 187016442 /nfs/dbraw/zinc/01/64/42/187016442.db2.gz LSLNAFXJXJRCGM-NSHDSACASA-N 1 0 254.290 1.026 20 5 CDBDRO CCCN(c1ccc([N+](=O)[O-])c(C)n1)[C@@H]1CC[NH2+]C1 ZINC000124120539 187123609 /nfs/dbraw/zinc/12/36/09/187123609.db2.gz BUHNBNNQBPXBOI-LLVKDONJSA-N 1 0 264.329 1.877 20 5 CDBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1F ZINC000133589248 187694429 /nfs/dbraw/zinc/69/44/29/187694429.db2.gz KHJNKDFRFRYRBJ-MRVPVSSYSA-N 1 0 267.260 1.073 20 5 CDBDRO COc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000156722210 188278515 /nfs/dbraw/zinc/27/85/15/188278515.db2.gz CUOIKGYITCGOAQ-MWLCHTKSSA-N 1 0 293.323 1.413 20 5 CDBDRO COc1cc(C(=O)N[C@](C)(C[NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000156731952 188279128 /nfs/dbraw/zinc/27/91/28/188279128.db2.gz UBFKQEULRFGPDP-CQSZACIVSA-N 1 0 295.339 1.707 20 5 CDBDRO CCC[C@@H]([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000037029877 363316011 /nfs/dbraw/zinc/31/60/11/363316011.db2.gz ZRANNYLPJMHAST-SECBINFHSA-N 1 0 251.286 1.969 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000063192680 363376219 /nfs/dbraw/zinc/37/62/19/363376219.db2.gz DEEHCZZNDCVXTJ-JQWIXIFHSA-N 1 0 277.324 1.937 20 5 CDBDRO CC(C)([NH3+])c1noc(COc2ccccc2[N+](=O)[O-])n1 ZINC000043402655 356645488 /nfs/dbraw/zinc/64/54/88/356645488.db2.gz RATBKMZSVOSQBR-UHFFFAOYSA-N 1 0 278.268 1.751 20 5 CDBDRO CC[C@H](O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000118857526 357044326 /nfs/dbraw/zinc/04/43/26/357044326.db2.gz ZDYHGSADWVNSNC-HNNXBMFYSA-N 1 0 293.367 1.483 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261863460 357335971 /nfs/dbraw/zinc/33/59/71/357335971.db2.gz YCEIAXGUYWRCSN-QWRGUYRKSA-N 1 0 279.344 1.308 20 5 CDBDRO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCOCCO ZINC000282711431 357471122 /nfs/dbraw/zinc/47/11/22/357471122.db2.gz KSQOJOKDHDXBEK-FNORWQNLSA-N 1 0 294.351 1.939 20 5 CDBDRO CC(C)(CC(N)=O)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000186240605 357628916 /nfs/dbraw/zinc/62/89/16/357628916.db2.gz BOJRFEALWBWCCL-UHFFFAOYSA-N 1 0 281.312 1.217 20 5 CDBDRO C[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000023013419 357612767 /nfs/dbraw/zinc/61/27/67/357612767.db2.gz BSACXNCCOIBWNJ-UHFFFAOYSA-N 1 0 277.324 1.666 20 5 CDBDRO COc1ccc(C[NH2+]C(C)(C)CCO)cc1[N+](=O)[O-] ZINC000135225568 357798401 /nfs/dbraw/zinc/79/84/01/357798401.db2.gz ISSUYUURUIDUNO-UHFFFAOYSA-N 1 0 268.313 1.854 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1SCC[NH+](C)C ZINC000361060166 357789666 /nfs/dbraw/zinc/78/96/66/357789666.db2.gz UYJXKUYEBXJERT-UHFFFAOYSA-N 1 0 258.347 1.773 20 5 CDBDRO COc1cc(C[NH2+]C[C@H]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1O ZINC000188853802 357945508 /nfs/dbraw/zinc/94/55/08/357945508.db2.gz SOJRQIMTXZTXGJ-GXSJLCMTSA-N 1 0 296.323 1.560 20 5 CDBDRO Cc1c(NC(=O)N[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000287133022 358103730 /nfs/dbraw/zinc/10/37/30/358103730.db2.gz YSNGZQXGELGJJI-VIFPVBQESA-N 1 0 280.328 1.975 20 5 CDBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000290917281 358773866 /nfs/dbraw/zinc/77/38/66/358773866.db2.gz XCLLELXHJUBYST-SNVBAGLBSA-N 1 0 267.333 1.917 20 5 CDBDRO CCc1cnccc1NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000264973349 358803915 /nfs/dbraw/zinc/80/39/15/358803915.db2.gz DZSAMCQJADHTQI-UHFFFAOYSA-N 1 0 289.295 1.696 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](C)C1 ZINC000380739433 358889610 /nfs/dbraw/zinc/88/96/10/358889610.db2.gz LGTYRYMMAIAPFI-NSHDSACASA-N 1 0 281.360 1.873 20 5 CDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC(C)(C)O ZINC000267157778 358933433 /nfs/dbraw/zinc/93/34/33/358933433.db2.gz PHIQMSMJGQQTHU-SNVBAGLBSA-N 1 0 295.339 1.625 20 5 CDBDRO Cc1cc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000381380999 359041209 /nfs/dbraw/zinc/04/12/09/359041209.db2.gz PFSPHEVHOIPNHN-BDAKNGLRSA-N 1 0 251.286 1.369 20 5 CDBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000119940970 359044781 /nfs/dbraw/zinc/04/47/81/359044781.db2.gz BVKRYGFMHWIHKC-LLVKDONJSA-N 1 0 295.364 1.631 20 5 CDBDRO CNC(=O)[C@@H](CCSC)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000342302474 358994154 /nfs/dbraw/zinc/99/41/54/358994154.db2.gz DIXZFCAKVBZDIN-GFCCVEGCSA-N 1 0 297.380 1.552 20 5 CDBDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000342321368 359004759 /nfs/dbraw/zinc/00/47/59/359004759.db2.gz WMDNYMWVXFBYAI-LBPRGKRZSA-N 1 0 297.380 1.552 20 5 CDBDRO CNC(=O)N[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000342358575 359017767 /nfs/dbraw/zinc/01/77/67/359017767.db2.gz HNGBZTFHQMNZBL-GFCCVEGCSA-N 1 0 292.339 1.141 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000288041460 359149660 /nfs/dbraw/zinc/14/96/60/359149660.db2.gz SXFZUCSKOXFJJH-NSHDSACASA-N 1 0 294.355 1.387 20 5 CDBDRO Cc1nc(N2CC[C@H](C)[C@@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000581062688 359290503 /nfs/dbraw/zinc/29/05/03/359290503.db2.gz LDWYISLIOZOOFT-WPRPVWTQSA-N 1 0 265.317 1.114 20 5 CDBDRO Cc1nn(C)c(N2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000569879538 359267115 /nfs/dbraw/zinc/26/71/15/359267115.db2.gz REOUFNZVVAYIQA-UHFFFAOYSA-N 1 0 281.360 1.415 20 5 CDBDRO C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000050163978 359352762 /nfs/dbraw/zinc/35/27/62/359352762.db2.gz KUWGGCJRMZLXJW-NXEZZACHSA-N 1 0 250.302 1.790 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000050228543 359394945 /nfs/dbraw/zinc/39/49/45/359394945.db2.gz JMGMWFCENDQOLT-SGUJLRQBSA-N 1 0 261.281 1.168 20 5 CDBDRO CC[N@H+](CCC(=O)OC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000050053845 359565045 /nfs/dbraw/zinc/56/50/45/359565045.db2.gz RBFVPKPWVYHFLO-UHFFFAOYSA-N 1 0 296.323 1.988 20 5 CDBDRO Cc1nc(NC2(C[NH+](C)C)CCC2)ncc1[N+](=O)[O-] ZINC000296857390 200016719 /nfs/dbraw/zinc/01/67/19/200016719.db2.gz USVBQBOPCBZNCD-UHFFFAOYSA-N 1 0 265.317 1.589 20 5 CDBDRO CC[N@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000297250966 200125600 /nfs/dbraw/zinc/12/56/00/200125600.db2.gz VIDXRCOFQBEOJV-LLVKDONJSA-N 1 0 279.344 1.471 20 5 CDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NC1CC1 ZINC000297306804 200142179 /nfs/dbraw/zinc/14/21/79/200142179.db2.gz BPKJWALKABXOQD-LLVKDONJSA-N 1 0 291.351 1.784 20 5 CDBDRO Cc1nc(N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000297332695 200151544 /nfs/dbraw/zinc/15/15/44/200151544.db2.gz AHUZFPIITIZRAM-LDYMZIIASA-N 1 0 277.328 1.588 20 5 CDBDRO Cc1ccnc(NCC2([NH+](C)C)CCOCC2)c1[N+](=O)[O-] ZINC000265161175 359766825 /nfs/dbraw/zinc/76/68/25/359766825.db2.gz FATZOHRYSJEXRO-UHFFFAOYSA-N 1 0 294.355 1.821 20 5 CDBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000227549714 359829902 /nfs/dbraw/zinc/82/99/02/359829902.db2.gz CHBRYNRHVKMJHZ-UHFFFAOYSA-N 1 0 250.302 1.886 20 5 CDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCCC1 ZINC000075675158 359914758 /nfs/dbraw/zinc/91/47/58/359914758.db2.gz DXTWMCCHCBEUHV-CYBMUJFWSA-N 1 0 282.344 1.274 20 5 CDBDRO [NH3+]CCCCc1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000228376762 360170339 /nfs/dbraw/zinc/17/03/39/360170339.db2.gz PVAGIKUMWYIQSN-UHFFFAOYSA-N 1 0 275.312 1.516 20 5 CDBDRO C[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000235613516 360212316 /nfs/dbraw/zinc/21/23/16/360212316.db2.gz KSNFSLOVYUQCFN-FZMZJTMJSA-N 1 0 291.351 1.723 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000262774437 360315607 /nfs/dbraw/zinc/31/56/07/360315607.db2.gz BOPMSUURWCVARR-GXSJLCMTSA-N 1 0 295.314 1.913 20 5 CDBDRO C[C@@]1(O)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000178009006 189085122 /nfs/dbraw/zinc/08/51/22/189085122.db2.gz PGCKFOMNZQLWTF-CYBMUJFWSA-N 1 0 266.297 1.430 20 5 CDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000178341056 189108938 /nfs/dbraw/zinc/10/89/38/189108938.db2.gz ZSQCRVOOOSYPRY-LBPRGKRZSA-N 1 0 280.324 1.942 20 5 CDBDRO C[C@H]1CSCCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000408360524 360708785 /nfs/dbraw/zinc/70/87/85/360708785.db2.gz VNKJMQSZOSHOGP-SECBINFHSA-N 1 0 270.358 1.513 20 5 CDBDRO C[NH2+]CCCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000121139282 361117363 /nfs/dbraw/zinc/11/73/63/361117363.db2.gz IOGPBBMBDAVQIW-SNVBAGLBSA-N 1 0 297.380 1.801 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000070075668 361237048 /nfs/dbraw/zinc/23/70/48/361237048.db2.gz YXRGJJNCLLHBAC-QWRGUYRKSA-N 1 0 277.324 1.726 20 5 CDBDRO C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000070076070 361238725 /nfs/dbraw/zinc/23/87/25/361238725.db2.gz VUQPXQZDSGOHRU-QWRGUYRKSA-N 1 0 277.324 1.346 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000053253127 361403456 /nfs/dbraw/zinc/40/34/56/361403456.db2.gz WWVCRQQJBQUIMU-SNVBAGLBSA-N 1 0 263.297 1.385 20 5 CDBDRO COc1ccc(C[NH2+][C@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000168893488 361560393 /nfs/dbraw/zinc/56/03/93/361560393.db2.gz LOBHNGLNLCNPBF-SNVBAGLBSA-N 1 0 267.329 1.643 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000168610072 364003522 /nfs/dbraw/zinc/00/35/22/364003522.db2.gz VGZWTIQAPZKSCW-WDEREUQCSA-N 1 0 292.339 1.202 20 5 CDBDRO C[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000581168601 363967877 /nfs/dbraw/zinc/96/78/77/363967877.db2.gz CUVRCDUJLDIAIA-ZJUUUORDSA-N 1 0 295.343 1.168 20 5 CDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000267968945 363977310 /nfs/dbraw/zinc/97/73/10/363977310.db2.gz MCMVKIGGTVTKRA-JTQLQIEISA-N 1 0 298.343 1.010 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)CCC[NH3+] ZINC000582122027 364069399 /nfs/dbraw/zinc/06/93/99/364069399.db2.gz WEOLIFDQOMNEQV-UHFFFAOYSA-N 1 0 267.329 1.774 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C[N@@H+]1C1CC1 ZINC000268038928 364081470 /nfs/dbraw/zinc/08/14/70/364081470.db2.gz XLRAUOMKXQLNCF-RKDXNWHRSA-N 1 0 278.312 1.278 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000088059077 364048273 /nfs/dbraw/zinc/04/82/73/364048273.db2.gz MILACNPVODFRAI-JTQLQIEISA-N 1 0 263.297 1.337 20 5 CDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000121428366 364786118 /nfs/dbraw/zinc/78/61/18/364786118.db2.gz IZVXUWUMEGGIGZ-LLVKDONJSA-N 1 0 277.324 1.666 20 5 CDBDRO Cn1c(C(=O)N2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000344590088 365017365 /nfs/dbraw/zinc/01/73/65/365017365.db2.gz LEBGSMOATLONFM-UHFFFAOYSA-N 1 0 294.355 1.347 20 5 CDBDRO CNc1ccc(C(=O)NC(C)(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000573108988 365091698 /nfs/dbraw/zinc/09/16/98/365091698.db2.gz QGPHLOXQVJNTTA-UHFFFAOYSA-N 1 0 280.328 1.494 20 5 CDBDRO C[C@H]1CCC[C@@H](CO)[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000270507534 366892031 /nfs/dbraw/zinc/89/20/31/366892031.db2.gz RDQTXXRJTFZRPD-QWRGUYRKSA-N 1 0 268.317 1.027 20 5 CDBDRO CC[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000270917015 366945066 /nfs/dbraw/zinc/94/50/66/366945066.db2.gz OPDNTQNYJCBAGI-YPMHNXCESA-N 1 0 280.324 1.676 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCCC[NH3+] ZINC000414656158 241303162 /nfs/dbraw/zinc/30/31/62/241303162.db2.gz MPNHSAVLJGJBCM-UHFFFAOYSA-N 1 0 282.300 1.464 20 5 CDBDRO Cc1c(NC(=O)NCC2([NH3+])CCC2)cccc1[N+](=O)[O-] ZINC000414716587 241349936 /nfs/dbraw/zinc/34/99/36/241349936.db2.gz XBGKGDXFQSKQAH-UHFFFAOYSA-N 1 0 278.312 1.906 20 5 CDBDRO COc1cc(CNC2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000414785453 241386041 /nfs/dbraw/zinc/38/60/41/241386041.db2.gz IWAWXULYNMMZAA-UHFFFAOYSA-N 1 0 295.339 1.454 20 5 CDBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000122414525 367016894 /nfs/dbraw/zinc/01/68/94/367016894.db2.gz RHGPVEDFXSGOEG-CQSZACIVSA-N 1 0 291.351 1.594 20 5 CDBDRO CCN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCNC1=O ZINC000440953784 367180740 /nfs/dbraw/zinc/18/07/40/367180740.db2.gz LLRQUDGFAUCKFK-LBPRGKRZSA-N 1 0 297.742 1.959 20 5 CDBDRO Cc1cc(NC(=O)N(C)C2CC([NH3+])C2)ccc1[N+](=O)[O-] ZINC000415414577 241673985 /nfs/dbraw/zinc/67/39/85/241673985.db2.gz FYIALJKVMJPNPZ-UHFFFAOYSA-N 1 0 278.312 1.857 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415493916 241703206 /nfs/dbraw/zinc/70/32/06/241703206.db2.gz DJDBOOXDZHEGBK-SECBINFHSA-N 1 0 294.311 1.477 20 5 CDBDRO O=C(NCC[C@H]1CCC[NH2+]1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415627640 241732185 /nfs/dbraw/zinc/73/21/85/241732185.db2.gz CGEFUQFSYZZRFG-SNVBAGLBSA-N 1 0 296.302 1.998 20 5 CDBDRO C[C@H](NC(=O)N(C)[C@@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417136316 242332419 /nfs/dbraw/zinc/33/24/19/242332419.db2.gz KKYAAXCMZKVDTB-UWVGGRQHSA-N 1 0 280.328 1.644 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CO)C(C)C ZINC000272760711 367942439 /nfs/dbraw/zinc/94/24/39/367942439.db2.gz POSYZVYVXWKSOW-CYBMUJFWSA-N 1 0 295.339 1.448 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000161263384 368084731 /nfs/dbraw/zinc/08/47/31/368084731.db2.gz QRBOIODFPBIBQG-CHWSQXEVSA-N 1 0 291.351 1.914 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000161263506 368086314 /nfs/dbraw/zinc/08/63/14/368086314.db2.gz QRBOIODFPBIBQG-OLZOCXBDSA-N 1 0 291.351 1.914 20 5 CDBDRO Cc1c(NC(=O)[C@H](C)N(C)CC[NH3+])cccc1[N+](=O)[O-] ZINC000420375272 244168328 /nfs/dbraw/zinc/16/83/28/244168328.db2.gz ISNFQHGIVHOBNP-JTQLQIEISA-N 1 0 280.328 1.121 20 5 CDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330828118 203287435 /nfs/dbraw/zinc/28/74/35/203287435.db2.gz WSJKXMBKQOVBRA-SNVBAGLBSA-N 1 0 280.328 1.337 20 5 CDBDRO CC(=O)N[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000420985342 244524262 /nfs/dbraw/zinc/52/42/62/244524262.db2.gz KQGAQAPLUULTNV-GFCCVEGCSA-N 1 0 293.323 1.184 20 5 CDBDRO C[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000414945662 371138167 /nfs/dbraw/zinc/13/81/67/371138167.db2.gz IOWHCYWCBMLCEY-KOLCDFICSA-N 1 0 267.304 1.964 20 5 CDBDRO COC[C@@]1(CNCc2ccc(C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000414936836 371144841 /nfs/dbraw/zinc/14/48/41/371144841.db2.gz CHZFPUAKFAUKTJ-HNNXBMFYSA-N 1 0 293.367 1.761 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252672534 371371370 /nfs/dbraw/zinc/37/13/70/371371370.db2.gz BDZAAAHMRBERJP-UWVGGRQHSA-N 1 0 265.317 1.367 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000581054558 372804632 /nfs/dbraw/zinc/80/46/32/372804632.db2.gz YOWFPMOOBGHHCR-MFKMUULPSA-N 1 0 290.323 1.763 20 5 CDBDRO Cc1cc(N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000266451657 372846044 /nfs/dbraw/zinc/84/60/44/372846044.db2.gz XKHSZVZIRMUYSM-QWHCGFSZSA-N 1 0 293.367 1.795 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCC[NH2+]C1 ZINC000037810222 373400387 /nfs/dbraw/zinc/40/03/87/373400387.db2.gz SJGCLECKSATMAP-LLVKDONJSA-N 1 0 277.324 1.553 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000130829157 373754207 /nfs/dbraw/zinc/75/42/07/373754207.db2.gz VNPLWLONHDKFRY-LBPRGKRZSA-N 1 0 293.323 1.313 20 5 CDBDRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000289541357 197395417 /nfs/dbraw/zinc/39/54/17/197395417.db2.gz JTZDDXIYFWFYHC-JSGCOSHPSA-N 1 0 291.351 1.845 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCCN(C(N)=O)CC1 ZINC000266558695 373978583 /nfs/dbraw/zinc/97/85/83/373978583.db2.gz WYPMDWSUHQKJJY-LLVKDONJSA-N 1 0 292.339 1.742 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000091555688 374034228 /nfs/dbraw/zinc/03/42/28/374034228.db2.gz ZNYYOVUKBWESFE-GXSJLCMTSA-N 1 0 281.360 1.920 20 5 CDBDRO C[C@H](NC(=O)N[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000418234989 374260004 /nfs/dbraw/zinc/26/00/04/374260004.db2.gz RJHRNBFBBZXALH-CMPLNLGQSA-N 1 0 292.339 1.707 20 5 CDBDRO CN(CC(C)(C)C[NH3+])C(=O)c1cccc([N+](=O)[O-])c1 ZINC000093873466 374343062 /nfs/dbraw/zinc/34/30/62/374343062.db2.gz PSIZBPJBFAXDPS-UHFFFAOYSA-N 1 0 265.313 1.652 20 5 CDBDRO CC[NH2+]CCN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423241164 374374100 /nfs/dbraw/zinc/37/41/00/374374100.db2.gz UQIIUWQKGQTMIC-LLVKDONJSA-N 1 0 251.330 1.725 20 5 CDBDRO COCC(C)(C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000066996062 374379413 /nfs/dbraw/zinc/37/94/13/374379413.db2.gz OJNDDVUJUWYLSC-UHFFFAOYSA-N 1 0 296.323 1.976 20 5 CDBDRO C[C@@H]1CC[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000429570787 374599334 /nfs/dbraw/zinc/59/93/34/374599334.db2.gz VRTOFUULGWNKFG-GHMZBOCLSA-N 1 0 252.318 1.912 20 5 CDBDRO CC[C@@H](NC[C@@H](O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000154341110 374698384 /nfs/dbraw/zinc/69/83/84/374698384.db2.gz VUKCWGFDSVDNPU-ZIAGYGMSSA-N 1 0 281.356 1.558 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000070172629 374653409 /nfs/dbraw/zinc/65/34/09/374653409.db2.gz MNVVFEGQNRASLS-IUCAKERBSA-N 1 0 283.353 1.856 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H]1C[NH3+] ZINC000070176550 374656145 /nfs/dbraw/zinc/65/61/45/374656145.db2.gz YFKXXPTZYQIEIJ-BXKDBHETSA-N 1 0 280.328 1.133 20 5 CDBDRO CCOC(=O)[C@@](C)(O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000274676852 374680315 /nfs/dbraw/zinc/68/03/15/374680315.db2.gz VDUSOKUDAZAMCZ-YGRLFVJLSA-N 1 0 296.323 1.560 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000447911846 374721939 /nfs/dbraw/zinc/72/19/39/374721939.db2.gz FOLSFGYZNHYDLB-YPMHNXCESA-N 1 0 296.323 1.103 20 5 CDBDRO COc1ccc(C[NH2+][C@@H](CO)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000447923831 374722097 /nfs/dbraw/zinc/72/20/97/374722097.db2.gz UIIUAFNQIALHJO-WCQYABFASA-N 1 0 296.323 1.233 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000330582630 374866963 /nfs/dbraw/zinc/86/69/63/374866963.db2.gz KAZKGVDRCMWGIR-QWHCGFSZSA-N 1 0 293.367 1.998 20 5 CDBDRO CN(CC[NH+]1CCCC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000330551896 374862540 /nfs/dbraw/zinc/86/25/40/374862540.db2.gz XRFQWMVCGLUFRQ-UHFFFAOYSA-N 1 0 283.353 1.824 20 5 CDBDRO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000331292085 374924131 /nfs/dbraw/zinc/92/41/31/374924131.db2.gz KVGBMIWDGDXAFX-DTWKUNHWSA-N 1 0 295.343 1.093 20 5 CDBDRO CCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000331292086 374924197 /nfs/dbraw/zinc/92/41/97/374924197.db2.gz KVGBMIWDGDXAFX-IUCAKERBSA-N 1 0 295.343 1.093 20 5 CDBDRO CCCNC(=O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282521433 375090833 /nfs/dbraw/zinc/09/08/33/375090833.db2.gz TYMAGLFQYJGRFT-UHFFFAOYSA-N 1 0 279.340 1.595 20 5 CDBDRO CN(Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1COC[C@@H]1O ZINC000352813349 375540161 /nfs/dbraw/zinc/54/01/61/375540161.db2.gz CSARMQMFUYNSHO-RYUDHWBXSA-N 1 0 286.715 1.440 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1COC[C@@H]1O ZINC000352815720 375541276 /nfs/dbraw/zinc/54/12/76/375541276.db2.gz MTXTUTMVCXYEFF-STQMWFEESA-N 1 0 296.323 1.185 20 5 CDBDRO CCOC[C@H](O)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344818117 375526851 /nfs/dbraw/zinc/52/68/51/375526851.db2.gz FCPQSPJMOPEZMB-CUXKMMBLSA-N 1 0 294.351 1.985 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2(O)CCOCC2)c(F)c1 ZINC000353038454 375567790 /nfs/dbraw/zinc/56/77/90/375567790.db2.gz ZDHQJFGVEIHDJF-UHFFFAOYSA-N 1 0 298.314 1.755 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426457692 247029241 /nfs/dbraw/zinc/02/92/41/247029241.db2.gz YVCWGLXCFAXWNH-ZJUUUORDSA-N 1 0 250.302 1.703 20 5 CDBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)C1 ZINC000356278704 375831391 /nfs/dbraw/zinc/83/13/91/375831391.db2.gz JRULTIDTFOBFBF-CQSZACIVSA-N 1 0 292.339 1.481 20 5 CDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000356881830 375866303 /nfs/dbraw/zinc/86/63/03/375866303.db2.gz OSUIRRGCEGXWDO-RYUDHWBXSA-N 1 0 291.351 1.688 20 5 CDBDRO C[N@@H+]1CC[C@@](O)(CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000358303161 375959945 /nfs/dbraw/zinc/95/99/45/375959945.db2.gz KBTCMNTWQMQVDS-LLVKDONJSA-N 1 0 286.719 1.122 20 5 CDBDRO Cc1sc(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000435247490 248162439 /nfs/dbraw/zinc/16/24/39/248162439.db2.gz LAHXSQSSDCZKQY-JTQLQIEISA-N 1 0 295.364 1.931 20 5 CDBDRO CC1(C)[C@@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000172951000 377791405 /nfs/dbraw/zinc/79/14/05/377791405.db2.gz OFRHQAXXCCOGOA-TXEJJXNPSA-N 1 0 289.335 1.782 20 5 CDBDRO CCCC[C@@H]([NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676289 378524007 /nfs/dbraw/zinc/52/40/07/378524007.db2.gz SGFQMQITGZAORF-CYBMUJFWSA-N 1 0 279.340 1.771 20 5 CDBDRO COC(=O)CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000266916584 378673162 /nfs/dbraw/zinc/67/31/62/378673162.db2.gz GFNPUAWBUOYBJF-UHFFFAOYSA-N 1 0 284.316 1.065 20 5 CDBDRO O=[N+]([O-])c1c(NCC[NH+]2CCC2)nc2sccn21 ZINC000443887249 250059480 /nfs/dbraw/zinc/05/94/80/250059480.db2.gz GHPHETGXQWRYCW-UHFFFAOYSA-N 1 0 267.314 1.422 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC001580822450 1172550315 /nfs/dbraw/zinc/55/03/15/1172550315.db2.gz VGVITVHIXZWDID-JOYOIKCWSA-N 1 0 295.726 1.682 20 5 CDBDRO CC(C)[C@@H](CO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444680553 250165897 /nfs/dbraw/zinc/16/58/97/250165897.db2.gz PSZNCOXUPDBTAM-GFCCVEGCSA-N 1 0 278.312 1.578 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCOC2)n1 ZINC000447573503 250388232 /nfs/dbraw/zinc/38/82/32/250388232.db2.gz HUKLMNYVYWUYJQ-QJPTWQEYSA-N 1 0 280.328 1.654 20 5 CDBDRO Cc1ccc(NC(=O)C[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000042165774 379549957 /nfs/dbraw/zinc/54/99/57/379549957.db2.gz LTAGUKXNZAKNDT-JTQLQIEISA-N 1 0 263.297 1.984 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC1 ZINC000449184504 250740605 /nfs/dbraw/zinc/74/06/05/250740605.db2.gz GGDJITCZFUOXOA-GFCCVEGCSA-N 1 0 263.341 1.821 20 5 CDBDRO Cc1nc(N[C@H]2CC[N@@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000450276848 251204631 /nfs/dbraw/zinc/20/46/31/251204631.db2.gz NZWQDZUVVUAFFK-VIFPVBQESA-N 1 0 263.301 1.342 20 5 CDBDRO Cc1nc(NC(C)(C)C[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000450950773 251556752 /nfs/dbraw/zinc/55/67/52/251556752.db2.gz NVPYDNPQJPGAHI-UHFFFAOYSA-N 1 0 279.344 1.980 20 5 CDBDRO CC1(C)[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@H]2CCO[C@@H]21 ZINC000451468489 251726040 /nfs/dbraw/zinc/72/60/40/251726040.db2.gz UQIBSTWUSOGCEB-JLLWLGSASA-N 1 0 280.328 1.194 20 5 CDBDRO CCO[C@@H]1C[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000451471854 251726167 /nfs/dbraw/zinc/72/61/67/251726167.db2.gz JCQLSFMMWAHKKS-VXGBXAGGSA-N 1 0 294.355 1.729 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000280319294 194797025 /nfs/dbraw/zinc/79/70/25/194797025.db2.gz PDJMZVHEDZHHQR-ZIAGYGMSSA-N 1 0 294.351 1.638 20 5 CDBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CO)COC)cc1[N+](=O)[O-] ZINC000280867562 195008348 /nfs/dbraw/zinc/00/83/48/195008348.db2.gz CQUJWJRVSRCENO-PWSUYJOCSA-N 1 0 298.339 1.651 20 5 CDBDRO C[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)C[NH+](C)C ZINC000489027639 252977664 /nfs/dbraw/zinc/97/76/64/252977664.db2.gz SSOYJJDLHYSXJE-JTQLQIEISA-N 1 0 289.339 1.570 20 5 CDBDRO CC[C@H]([NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000490770394 253048733 /nfs/dbraw/zinc/04/87/33/253048733.db2.gz NDGPJIMPORPLDB-ZDUSSCGKSA-N 1 0 279.340 1.771 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000491643644 253094455 /nfs/dbraw/zinc/09/44/55/253094455.db2.gz OZQKXSFEBAIOIG-ZHRWSRJISA-N 1 0 289.335 1.676 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261591493 285092617 /nfs/dbraw/zinc/09/26/17/285092617.db2.gz LYBJOIBEMFHWLG-WCBMZHEXSA-N 1 0 282.731 1.831 20 5 CDBDRO C[NH+](C)C1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000492315806 253195864 /nfs/dbraw/zinc/19/58/64/253195864.db2.gz CUBLEOQQFPTXSW-YVMONPNESA-N 1 0 275.308 1.380 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000070175930 296379828 /nfs/dbraw/zinc/37/98/28/296379828.db2.gz CVLDHLBIKCSZCI-NOZJJQNGSA-N 1 0 295.314 1.933 20 5 CDBDRO CC[N@@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000288249287 197035797 /nfs/dbraw/zinc/03/57/97/197035797.db2.gz FAELNIPXYWZHCY-LBPRGKRZSA-N 1 0 291.351 1.690 20 5 CDBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000281293806 195184083 /nfs/dbraw/zinc/18/40/83/195184083.db2.gz WTVSPJUJKKXPHU-AWEZNQCLSA-N 1 0 277.324 1.553 20 5 CDBDRO CC(C)[C@H](C[NH3+])C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000433140583 390495920 /nfs/dbraw/zinc/49/59/20/390495920.db2.gz IIQMWKHHWCYNFM-ZDUSSCGKSA-N 1 0 294.355 1.354 20 5 CDBDRO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551351 390629622 /nfs/dbraw/zinc/62/96/22/390629622.db2.gz UKTFPVSGVHPRQU-ZYHUDNBSSA-N 1 0 277.324 1.648 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000044747929 390659681 /nfs/dbraw/zinc/65/96/81/390659681.db2.gz ABZVCOOTOCRKCL-JTQLQIEISA-N 1 0 263.297 1.467 20 5 CDBDRO CN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000179090862 390941305 /nfs/dbraw/zinc/94/13/05/390941305.db2.gz WHALFGBUCAXJOU-LLVKDONJSA-N 1 0 293.323 1.184 20 5 CDBDRO C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000235672106 390910002 /nfs/dbraw/zinc/91/00/02/390910002.db2.gz GRQLENLEATVSJH-GWCFXTLKSA-N 1 0 277.324 1.794 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000517554044 391165472 /nfs/dbraw/zinc/16/54/72/391165472.db2.gz CRZGVWRAUHBLTA-AWEZNQCLSA-N 1 0 295.339 1.707 20 5 CDBDRO CC(C)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000413256245 391186321 /nfs/dbraw/zinc/18/63/21/391186321.db2.gz BUUAZTFPVTVFSC-LBPRGKRZSA-N 1 0 282.319 1.905 20 5 CDBDRO C[N@@H+]1CCC[C@H](CCNc2ccc([N+](=O)[O-])cn2)C1 ZINC000413435733 391214424 /nfs/dbraw/zinc/21/44/24/391214424.db2.gz HRRJMVREWOOOJT-LLVKDONJSA-N 1 0 264.329 1.556 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000194916329 391372546 /nfs/dbraw/zinc/37/25/46/391372546.db2.gz NODZRZXJZJTTJL-JTQLQIEISA-N 1 0 280.328 1.250 20 5 CDBDRO CC1(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)COC1 ZINC000440488310 391394386 /nfs/dbraw/zinc/39/43/86/391394386.db2.gz ODWPDNXKGUCONN-NSHDSACASA-N 1 0 292.339 1.513 20 5 CDBDRO C[NH+]1CCC(Nc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000439091900 391403147 /nfs/dbraw/zinc/40/31/47/391403147.db2.gz AUWPHALXJSSMMD-UHFFFAOYSA-N 1 0 278.312 1.200 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415637224 391470471 /nfs/dbraw/zinc/47/04/71/391470471.db2.gz ZVTOEXZTVUYSSU-UFBFGSQYSA-N 1 0 296.302 1.853 20 5 CDBDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000227968155 391909300 /nfs/dbraw/zinc/90/93/00/391909300.db2.gz FKWRTYOUMZGVQS-ZWNOBZJWSA-N 1 0 266.297 1.224 20 5 CDBDRO COCC[N@H+](C)CCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000173438725 391990060 /nfs/dbraw/zinc/99/00/60/391990060.db2.gz BLPPGAODAVEWKT-UHFFFAOYSA-N 1 0 295.339 1.211 20 5 CDBDRO C[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000235328658 130948667 /nfs/dbraw/zinc/94/86/67/130948667.db2.gz KSNFSLOVYUQCFN-RISCZKNCSA-N 1 0 291.351 1.723 20 5 CDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[NH3+] ZINC000237540485 131039972 /nfs/dbraw/zinc/03/99/72/131039972.db2.gz FRPOCNCJGIRCKM-JTQLQIEISA-N 1 0 297.380 1.931 20 5 CDBDRO Cc1ccc(NCCCNC(=O)CC[NH3+])c([N+](=O)[O-])c1 ZINC000237608046 131047437 /nfs/dbraw/zinc/04/74/37/131047437.db2.gz CYFGDDDAOPXDGW-UHFFFAOYSA-N 1 0 280.328 1.170 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000237640493 131049813 /nfs/dbraw/zinc/04/98/13/131049813.db2.gz FSILHYUYAOVZFJ-SECBINFHSA-N 1 0 292.339 1.588 20 5 CDBDRO Cc1sc(C(=O)N2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000237697550 131053123 /nfs/dbraw/zinc/05/31/23/131053123.db2.gz WGMSVXUYEFGWRR-ZETCQYMHSA-N 1 0 255.299 1.138 20 5 CDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000238021677 131072860 /nfs/dbraw/zinc/07/28/60/131072860.db2.gz YMPCFEKPXNFPDL-CYBMUJFWSA-N 1 0 291.351 1.643 20 5 CDBDRO C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000248988097 131119955 /nfs/dbraw/zinc/11/99/55/131119955.db2.gz WRWNJOPTJRYZSN-GWCFXTLKSA-N 1 0 250.298 1.798 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261612060 131156167 /nfs/dbraw/zinc/15/61/67/131156167.db2.gz FCRJWOZZSDMRNU-DGCLKSJQSA-N 1 0 289.335 1.727 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000261611870 131156422 /nfs/dbraw/zinc/15/64/22/131156422.db2.gz DZJLQONCFFLJSP-DGCLKSJQSA-N 1 0 289.335 1.585 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000261684933 131162182 /nfs/dbraw/zinc/16/21/82/131162182.db2.gz MTEGDYSUUONTHW-RISCZKNCSA-N 1 0 289.335 1.727 20 5 CDBDRO [NH3+][C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000261953147 131179100 /nfs/dbraw/zinc/17/91/00/131179100.db2.gz KGKOZVVXKVQIFQ-LBPRGKRZSA-N 1 0 279.296 1.287 20 5 CDBDRO CCCC[NH+]1CCC(Nc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596091684 392621573 /nfs/dbraw/zinc/62/15/73/392621573.db2.gz CESKCLPNKMLANZ-UHFFFAOYSA-N 1 0 293.371 1.670 20 5 CDBDRO Cc1cc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000524720437 392919365 /nfs/dbraw/zinc/91/93/65/392919365.db2.gz QNGOOSYWFRVHNS-LLVKDONJSA-N 1 0 291.351 1.975 20 5 CDBDRO C[C@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)[C@@H](C[NH3+])C1 ZINC000420264350 392917703 /nfs/dbraw/zinc/91/77/03/392917703.db2.gz UXBQMMVHZVGSAB-VHSXEESVSA-N 1 0 290.327 1.201 20 5 CDBDRO Cc1nc(N[C@@H](CC[NH3+])C(F)F)ncc1[N+](=O)[O-] ZINC000420265818 392917813 /nfs/dbraw/zinc/91/78/13/392917813.db2.gz QDOWIKPVLYVBBC-LURJTMIESA-N 1 0 261.232 1.088 20 5 CDBDRO CC[NH2+]CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418227153 392879324 /nfs/dbraw/zinc/87/93/24/392879324.db2.gz BRLMMCHYYGTVHZ-JTQLQIEISA-N 1 0 280.328 1.565 20 5 CDBDRO Cc1cnc(N2CCC[C@H]2C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000268644938 132041432 /nfs/dbraw/zinc/04/14/32/132041432.db2.gz SMHWFDAXKLXHBD-NSHDSACASA-N 1 0 264.329 1.829 20 5 CDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000429776293 393084673 /nfs/dbraw/zinc/08/46/73/393084673.db2.gz ZPMJLERCPMJVTO-SKDRFNHKSA-N 1 0 295.314 1.738 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)Cn1cccn1 ZINC000430230687 393095350 /nfs/dbraw/zinc/09/53/50/393095350.db2.gz YXBTUNWFNJEFQK-LLVKDONJSA-N 1 0 290.323 1.978 20 5 CDBDRO C[NH2+][C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430644728 393102446 /nfs/dbraw/zinc/10/24/46/393102446.db2.gz ZFFLMHCLHKEMCB-NSHDSACASA-N 1 0 265.313 1.267 20 5 CDBDRO C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H](C)[NH2+]1 ZINC000430932992 393105036 /nfs/dbraw/zinc/10/50/36/393105036.db2.gz IHHRPDNOLFTTCX-UWVGGRQHSA-N 1 0 290.323 1.918 20 5 CDBDRO CCC[N@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000530596857 393052967 /nfs/dbraw/zinc/05/29/67/393052967.db2.gz HNQJJPJWIITNHZ-UHFFFAOYSA-N 1 0 282.344 1.395 20 5 CDBDRO C[C@H]([NH2+]C1CC1)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000449070104 393129555 /nfs/dbraw/zinc/12/95/55/393129555.db2.gz JFVVTQOSEHAGBV-JTQLQIEISA-N 1 0 292.339 1.263 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000449709905 393139705 /nfs/dbraw/zinc/13/97/05/393139705.db2.gz KUQCGVLNRYKNPK-GHMZBOCLSA-N 1 0 293.323 1.217 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000155928277 393150127 /nfs/dbraw/zinc/15/01/27/393150127.db2.gz REHNVPDNKOCYCN-AOOOYVTPSA-N 1 0 263.297 1.259 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000179022770 140011641 /nfs/dbraw/zinc/01/16/41/140011641.db2.gz QGEMNMVQCHRZON-SNVBAGLBSA-N 1 0 293.323 1.285 20 5 CDBDRO COc1ccc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000189307945 140112858 /nfs/dbraw/zinc/11/28/58/140112858.db2.gz QITRQLMVTWDBFH-ONGXEEELSA-N 1 0 293.323 1.474 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](C)CC1 ZINC000194937449 140150380 /nfs/dbraw/zinc/15/03/80/140150380.db2.gz SBWLGIHSQPZMEU-UHFFFAOYSA-N 1 0 292.339 1.370 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000232232960 140221532 /nfs/dbraw/zinc/22/15/32/140221532.db2.gz HPHVAFIYAXWABI-NSHDSACASA-N 1 0 263.297 1.467 20 5 CDBDRO C[C@]1(C[NH3+])CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000261589753 140357904 /nfs/dbraw/zinc/35/79/04/140357904.db2.gz KXFNXLFCFWWYRP-CYBMUJFWSA-N 1 0 267.304 1.905 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000261633337 140366618 /nfs/dbraw/zinc/36/66/18/140366618.db2.gz WHMZPPJBJYXEQS-GXSJLCMTSA-N 1 0 263.297 1.465 20 5 CDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000261800340 140390345 /nfs/dbraw/zinc/39/03/45/140390345.db2.gz VVQJNRVQLRLPHM-ZDUSSCGKSA-N 1 0 291.351 1.642 20 5 CDBDRO CCC[NH+](CCC)CCCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000076270250 146908475 /nfs/dbraw/zinc/90/84/75/146908475.db2.gz YRYWHSJAHLBGRC-UHFFFAOYSA-N 1 0 296.375 1.891 20 5 CDBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])o1)C(C)C ZINC000102495878 147153332 /nfs/dbraw/zinc/15/33/32/147153332.db2.gz GWEHJQNQWUBIAW-UHFFFAOYSA-N 1 0 269.301 1.648 20 5 CDBDRO Cn1c(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000343642376 152254135 /nfs/dbraw/zinc/25/41/35/152254135.db2.gz OOMWBHVNGMFUMZ-CQSZACIVSA-N 1 0 292.339 1.149 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000344029756 152395899 /nfs/dbraw/zinc/39/58/99/152395899.db2.gz AQXXZZHEPKAXEV-JSGCOSHPSA-N 1 0 294.355 1.274 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH+](C)C)c1 ZINC000346139781 153067702 /nfs/dbraw/zinc/06/77/02/153067702.db2.gz OUSSKDGUNKKJIT-SECBINFHSA-N 1 0 281.312 1.283 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH+](C)C)c1 ZINC000346168876 153081325 /nfs/dbraw/zinc/08/13/25/153081325.db2.gz GLXYVNBEMXQKGN-SNVBAGLBSA-N 1 0 295.339 1.673 20 5 CDBDRO COc1cc(C(=O)N[C@H](C)CC[NH3+])cc([N+](=O)[O-])c1OC ZINC000349934899 154277206 /nfs/dbraw/zinc/27/72/06/154277206.db2.gz IPMOMUNUYILHGA-MRVPVSSYSA-N 1 0 297.311 1.079 20 5 CDBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H](C)O ZINC000352193790 155012625 /nfs/dbraw/zinc/01/26/25/155012625.db2.gz GAEWGAIOILLZKN-NSHDSACASA-N 1 0 268.313 1.676 20 5 CDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000361568729 304395905 /nfs/dbraw/zinc/39/59/05/304395905.db2.gz JPTZWVHQHOOGON-JHJVBQTASA-N 1 0 281.356 1.129 20 5 CDBDRO C[C@@H]([NH2+]CCNc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000361983319 159031919 /nfs/dbraw/zinc/03/19/19/159031919.db2.gz UJVKBGDZPYJRKB-LLVKDONJSA-N 1 0 287.323 1.569 20 5 CDBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000362374991 159134489 /nfs/dbraw/zinc/13/44/89/159134489.db2.gz ZXHCSXXRUOMPIV-BXKDBHETSA-N 1 0 263.297 1.731 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000372335484 160107305 /nfs/dbraw/zinc/10/73/05/160107305.db2.gz XCXLUQPSAWSFBG-GFCCVEGCSA-N 1 0 277.324 1.488 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)ccc1[N+](=O)[O-] ZINC000373053392 160168783 /nfs/dbraw/zinc/16/87/83/160168783.db2.gz FRVRWAXCYJIBPN-AAEUAGOBSA-N 1 0 289.335 1.727 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000374401637 160283232 /nfs/dbraw/zinc/28/32/32/160283232.db2.gz RFWJIVIZDOWYLT-RYUDHWBXSA-N 1 0 280.328 1.150 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC([NH+](C)C)C2)c1 ZINC000284542379 196080248 /nfs/dbraw/zinc/08/02/48/196080248.db2.gz XJHSUZVGMYQCKA-UHFFFAOYSA-N 1 0 293.323 1.380 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2CCO)c1 ZINC000286121616 196503315 /nfs/dbraw/zinc/50/33/15/196503315.db2.gz MFELCNLFSKZQIL-KCPJHIHWSA-N 1 0 294.351 1.769 20 5 CDBDRO CC1CC[NH+](CCNc2c([N+](=O)[O-])ncn2C)CC1 ZINC000040444330 174264356 /nfs/dbraw/zinc/26/43/56/174264356.db2.gz GQHOPXXGMJNNKX-UHFFFAOYSA-N 1 0 267.333 1.472 20 5 CDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000040676235 174374031 /nfs/dbraw/zinc/37/40/31/174374031.db2.gz JYOFKXDERHIUDN-LBPRGKRZSA-N 1 0 277.324 1.253 20 5 CDBDRO C[NH+](C)CC(C)(C)CNc1cc([N+](=O)[O-])ccn1 ZINC000043567615 175067417 /nfs/dbraw/zinc/06/74/17/175067417.db2.gz BMEUWAPVKLPWHI-UHFFFAOYSA-N 1 0 252.318 1.990 20 5 CDBDRO CCN(C(=O)c1cc([N+](=O)[O-])ccc1C)[C@@H]1CC[NH2+]C1 ZINC000071312487 176119358 /nfs/dbraw/zinc/11/93/58/176119358.db2.gz FNKLXXIHCCIAJG-GFCCVEGCSA-N 1 0 277.324 1.727 20 5 CDBDRO COCC[N@H+](C)CCCNc1ncc(C)cc1[N+](=O)[O-] ZINC000078630280 177362186 /nfs/dbraw/zinc/36/21/86/177362186.db2.gz TUINBPMHMOPUPP-UHFFFAOYSA-N 1 0 282.344 1.678 20 5 CDBDRO Cc1nn(C)c(NC[C@@H](C2CC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000078727588 177377421 /nfs/dbraw/zinc/37/74/21/177377421.db2.gz MACKZSBRTILCSR-JTQLQIEISA-N 1 0 267.333 1.389 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000525804903 262367445 /nfs/dbraw/zinc/36/74/45/262367445.db2.gz VPQZWSWIEFKBMU-NSHDSACASA-N 1 0 291.351 1.975 20 5 CDBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH3+] ZINC000261549457 274369479 /nfs/dbraw/zinc/36/94/79/274369479.db2.gz JDAACUJVXXXENG-GMSGAONNSA-N 1 0 270.720 1.817 20 5 CDBDRO CCN1C[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000391634207 264584127 /nfs/dbraw/zinc/58/41/27/264584127.db2.gz MFJLWKIIUDWVQR-PWSUYJOCSA-N 1 0 277.324 1.866 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@H]1CCO ZINC000049801361 424447428 /nfs/dbraw/zinc/44/74/28/424447428.db2.gz RIGXNWWJUWHBBW-LBPRGKRZSA-N 1 0 282.344 1.337 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)C[NH3+] ZINC000423541566 274686060 /nfs/dbraw/zinc/68/60/60/274686060.db2.gz SEIQOAKPXNWXMT-SECBINFHSA-N 1 0 265.313 1.597 20 5 CDBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H](C)O ZINC000395446632 270343139 /nfs/dbraw/zinc/34/31/39/270343139.db2.gz XNVWVDKTRCXDNY-PRHODGIISA-N 1 0 256.277 1.983 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449605668 273947783 /nfs/dbraw/zinc/94/77/83/273947783.db2.gz WVVUJMAPMJZQCP-WDEREUQCSA-N 1 0 279.340 1.640 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1c1cc(OC)c([N+](=O)[O-])cc1F ZINC000227861016 273968132 /nfs/dbraw/zinc/96/81/32/273968132.db2.gz FMGJENVTMDBQOH-SECBINFHSA-N 1 0 283.303 1.931 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000133312580 273968204 /nfs/dbraw/zinc/96/82/04/273968204.db2.gz OPAQGSJXGBGDMP-SNVBAGLBSA-N 1 0 250.302 1.486 20 5 CDBDRO O=C1C[C@@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1 ZINC000414195978 275019512 /nfs/dbraw/zinc/01/95/12/275019512.db2.gz JNRJDALRCQFOPG-HZMBPMFUSA-N 1 0 289.335 1.698 20 5 CDBDRO CCOc1cccc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000134794921 276381493 /nfs/dbraw/zinc/38/14/93/276381493.db2.gz YSORUVWHEPTPMR-UHFFFAOYSA-N 1 0 251.286 1.403 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000423481315 276382080 /nfs/dbraw/zinc/38/20/80/276382080.db2.gz QGZDCVLTBRXHPF-JTQLQIEISA-N 1 0 293.323 1.461 20 5 CDBDRO COCCN1CC[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000268891121 277227346 /nfs/dbraw/zinc/22/73/46/277227346.db2.gz JJSWVHUURASZJY-OCCSQVGLSA-N 1 0 293.367 1.966 20 5 CDBDRO COC[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])OC ZINC000227705178 277564319 /nfs/dbraw/zinc/56/43/19/277564319.db2.gz GPULQNZVYOCCBX-LLVKDONJSA-N 1 0 254.286 1.346 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417760921 278169439 /nfs/dbraw/zinc/16/94/39/278169439.db2.gz GQJHMTLABSTLKP-LLVKDONJSA-N 1 0 294.355 1.564 20 5 CDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCF ZINC000436316264 278222023 /nfs/dbraw/zinc/22/20/23/278222023.db2.gz RMMHBJSOMGTVQE-VIFPVBQESA-N 1 0 269.276 1.871 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000336817611 278367289 /nfs/dbraw/zinc/36/72/89/278367289.db2.gz QZOYASITDQUHMH-MWLCHTKSSA-N 1 0 263.297 1.476 20 5 CDBDRO C[C@@H]1C[C@H](O)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000340914403 279001160 /nfs/dbraw/zinc/00/11/60/279001160.db2.gz RPKXOCWCKYEYSC-MFKMUULPSA-N 1 0 250.298 1.592 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC([NH3+])CC1 ZINC000036754861 279141110 /nfs/dbraw/zinc/14/11/10/279141110.db2.gz SPZUSFMHUHIQSW-UHFFFAOYSA-N 1 0 265.313 1.527 20 5 CDBDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000331063514 279658754 /nfs/dbraw/zinc/65/87/54/279658754.db2.gz PHAXOYUKIURQOV-VHSXEESVSA-N 1 0 252.318 1.997 20 5 CDBDRO CC[C@@H](CO)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447601673 280150612 /nfs/dbraw/zinc/15/06/12/280150612.db2.gz QSEPNSDMVGDGND-TUAOUCFPSA-N 1 0 282.344 1.636 20 5 CDBDRO C[C@H]([N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1(C)CC1 ZINC000246095537 280252880 /nfs/dbraw/zinc/25/28/80/280252880.db2.gz HQJRFNIWKROETD-CMPLNLGQSA-N 1 0 282.344 1.273 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](C)CC2)n1 ZINC000162595655 281014543 /nfs/dbraw/zinc/01/45/43/281014543.db2.gz ZVKRHPFMOFRPPJ-UHFFFAOYSA-N 1 0 250.302 1.804 20 5 CDBDRO COc1ccc(CC(=O)N(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000531011084 281655279 /nfs/dbraw/zinc/65/52/79/281655279.db2.gz VRJOUQUZGGKTNQ-UHFFFAOYSA-N 1 0 295.339 1.166 20 5 CDBDRO C[NH+](C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000457210531 282061930 /nfs/dbraw/zinc/06/19/30/282061930.db2.gz DEYDIVXEBHPWPN-UHFFFAOYSA-N 1 0 255.274 1.258 20 5 CDBDRO C[NH+](C)Cc1ccccc1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000549159210 289959077 /nfs/dbraw/zinc/95/90/77/289959077.db2.gz CAFIUBZOEWVOLM-UHFFFAOYSA-N 1 0 289.295 1.632 20 5 CDBDRO C[NH+](C)CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])C1CCCC1 ZINC000554892766 290197095 /nfs/dbraw/zinc/19/70/95/290197095.db2.gz IORSRKMMRIYORJ-UHFFFAOYSA-N 1 0 295.343 1.264 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCF)CC2)cn1 ZINC000560469617 290492551 /nfs/dbraw/zinc/49/25/51/290492551.db2.gz AWHRTSZXGPXSFA-UHFFFAOYSA-N 1 0 282.319 1.862 20 5 CDBDRO CC[C@@H](COC)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000562995072 293238146 /nfs/dbraw/zinc/23/81/46/293238146.db2.gz HGHGEVACHUZDGN-WCQYABFASA-N 1 0 298.339 1.349 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC(C)(C)CC[NH3+] ZINC000564840514 293428900 /nfs/dbraw/zinc/42/89/00/293428900.db2.gz PRJAPSOUQDPPMT-UHFFFAOYSA-N 1 0 281.312 1.461 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000567821601 293879480 /nfs/dbraw/zinc/87/94/80/293879480.db2.gz DTUHJGGMEWPAGE-WDEREUQCSA-N 1 0 294.355 1.562 20 5 CDBDRO C[C@@H](C(=O)NCC[NH+]1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000568818715 294104687 /nfs/dbraw/zinc/10/46/87/294104687.db2.gz IDIARJGZYMOQQM-LLVKDONJSA-N 1 0 277.324 1.520 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000568868242 294114507 /nfs/dbraw/zinc/11/45/07/294114507.db2.gz ZXWSGCMRPZRPMC-MNOVXSKESA-N 1 0 295.339 1.606 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000570216463 294196855 /nfs/dbraw/zinc/19/68/55/294196855.db2.gz PRVYPBRKQRSSHD-NXEZZACHSA-N 1 0 281.312 1.216 20 5 CDBDRO CC[NH2+]CCCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000571444449 294437957 /nfs/dbraw/zinc/43/79/57/294437957.db2.gz BGGGGHXZPIPULV-UHFFFAOYSA-N 1 0 280.328 1.123 20 5 CDBDRO C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000122908489 297084623 /nfs/dbraw/zinc/08/46/23/297084623.db2.gz KNBRVIXZTVHXBT-SFYZADRCSA-N 1 0 270.720 1.830 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]1C[NH3+] ZINC000156097415 302043566 /nfs/dbraw/zinc/04/35/66/302043566.db2.gz XAFQWLSEOVBZFE-JTQLQIEISA-N 1 0 299.352 1.015 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000383014983 323658105 /nfs/dbraw/zinc/65/81/05/323658105.db2.gz HHNUOUMUPLGYFD-JYESYGNLSA-N 1 0 263.297 1.414 20 5 CDBDRO CN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000384861862 323692262 /nfs/dbraw/zinc/69/22/62/323692262.db2.gz DODJDEICYWYVIO-SREVYHEPSA-N 1 0 275.308 1.556 20 5 CDBDRO CN(C(=O)/C=C\c1cccc([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000384931550 323695298 /nfs/dbraw/zinc/69/52/98/323695298.db2.gz SNMDCUICADGPCX-WAYWQWQTSA-N 1 0 275.308 1.556 20 5 CDBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1)C1(C[NH3+])CCC1 ZINC000385328826 323704683 /nfs/dbraw/zinc/70/46/83/323704683.db2.gz PNGPPKKMZFUXEY-UHFFFAOYSA-N 1 0 263.297 1.548 20 5 CDBDRO CC1(C)CCC[C@@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000388868331 323796998 /nfs/dbraw/zinc/79/69/98/323796998.db2.gz IDSDQABPIXUESZ-YPMHNXCESA-N 1 0 296.371 1.568 20 5 CDBDRO CC(C)[C@]1(C)C[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000397150305 323861627 /nfs/dbraw/zinc/86/16/27/323861627.db2.gz LRKZBACJXQTOTM-XQQFMLRXSA-N 1 0 282.344 1.176 20 5 CDBDRO C[NH2+]CCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000579123187 324112896 /nfs/dbraw/zinc/11/28/96/324112896.db2.gz NUVWOAFPJUPSAY-UHFFFAOYSA-N 1 0 250.302 1.500 20 5 CDBDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000579588300 324225884 /nfs/dbraw/zinc/22/58/84/324225884.db2.gz IGKSAWBKSTWNDD-VXGBXAGGSA-N 1 0 252.270 1.098 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC([C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000580534100 324488721 /nfs/dbraw/zinc/48/87/21/324488721.db2.gz VKXAVVZJBZKNFU-LLVKDONJSA-N 1 0 277.328 1.211 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000580631805 324516441 /nfs/dbraw/zinc/51/64/41/324516441.db2.gz MAXXSVXECGFMBW-CMPLNLGQSA-N 1 0 292.339 1.535 20 5 CDBDRO [NH3+]CCCCCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000698118775 1160928385 /nfs/dbraw/zinc/92/83/85/1160928385.db2.gz DXHKRMCKTCREPM-UHFFFAOYSA-N 1 0 283.303 1.983 20 5 CDBDRO CCOC(=O)N1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168967899 1161996259 /nfs/dbraw/zinc/99/62/59/1161996259.db2.gz UKPZVGUECMOGGJ-AAEUAGOBSA-N 1 0 299.371 1.642 20 5 CDBDRO O=C(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)N1CCCCC1 ZINC001168966645 1161996353 /nfs/dbraw/zinc/99/63/53/1161996353.db2.gz KNCPTBOGJPZLEN-NWDGAFQWSA-N 1 0 269.345 1.034 20 5 CDBDRO CC(C)OC[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000337314463 519770886 /nfs/dbraw/zinc/77/08/86/519770886.db2.gz WNTWPRGLFMQXOK-SNVBAGLBSA-N 1 0 256.306 1.194 20 5 CDBDRO COc1ccccc1CN(CC[N+](=O)[O-])C1CC1 ZINC000791052870 1162187318 /nfs/dbraw/zinc/18/73/18/1162187318.db2.gz GFPZOQAVYRSBKE-UHFFFAOYSA-N 1 0 250.298 1.936 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CCC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC000157932461 521328747 /nfs/dbraw/zinc/32/87/47/521328747.db2.gz AYJBPAUVCMCPJO-IUCAKERBSA-N 1 0 295.343 1.128 20 5 CDBDRO CCC[N@H+](CCO)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184245142 521666803 /nfs/dbraw/zinc/66/68/03/521666803.db2.gz IPIGPXHFOFNFIU-UHFFFAOYSA-N 1 0 286.303 1.947 20 5 CDBDRO CC[NH+]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000184233741 521688320 /nfs/dbraw/zinc/68/83/20/521688320.db2.gz FGRZYRKTKSZRAJ-UHFFFAOYSA-N 1 0 297.330 1.880 20 5 CDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000063704382 521709884 /nfs/dbraw/zinc/70/98/84/521709884.db2.gz HPSRZNFHBWSWOJ-LBPRGKRZSA-N 1 0 291.351 1.975 20 5 CDBDRO COCCC[N@H+](C)CCNc1ncccc1[N+](=O)[O-] ZINC000078372781 523230234 /nfs/dbraw/zinc/23/02/34/523230234.db2.gz LUCGCHDUMRYOGB-UHFFFAOYSA-N 1 0 268.317 1.370 20 5 CDBDRO CO[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000161038953 523691243 /nfs/dbraw/zinc/69/12/43/523691243.db2.gz HHSSWDWAWXAFCS-WDEREUQCSA-N 1 0 285.369 1.594 20 5 CDBDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668571 523984919 /nfs/dbraw/zinc/98/49/19/523984919.db2.gz CQDJVYVKJPUIGX-WDEREUQCSA-N 1 0 279.340 1.988 20 5 CDBDRO C[C@@H]1CC[C@@H](C)[NH+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246597832 524576324 /nfs/dbraw/zinc/57/63/24/524576324.db2.gz QHBYZXZVSKJYSQ-FOGDFJRCSA-N 1 0 268.317 1.025 20 5 CDBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000247114210 525770977 /nfs/dbraw/zinc/77/09/77/525770977.db2.gz JEPNYSKEITYARJ-OLZOCXBDSA-N 1 0 293.367 1.482 20 5 CDBDRO CS[C@@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@H]1[NH+](C)C ZINC000337027099 525847516 /nfs/dbraw/zinc/84/75/16/525847516.db2.gz WCZLUDDZXYWQEF-HTQZYQBOSA-N 1 0 288.398 1.533 20 5 CDBDRO CC(C)(C)[NH2+]CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000174233666 526329600 /nfs/dbraw/zinc/32/96/00/526329600.db2.gz KIDOXENDNUXPNQ-UHFFFAOYSA-N 1 0 279.340 1.642 20 5 CDBDRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000184805442 527002334 /nfs/dbraw/zinc/00/23/34/527002334.db2.gz AKSVUWOGGGKCSE-UONOGXRCSA-N 1 0 291.351 1.771 20 5 CDBDRO Cc1nc(N[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000161536847 527002711 /nfs/dbraw/zinc/00/27/11/527002711.db2.gz OPTMPXFSPMIZRQ-JTQLQIEISA-N 1 0 262.313 1.947 20 5 CDBDRO [NH3+]C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CCCC1 ZINC000236262660 527227474 /nfs/dbraw/zinc/22/74/74/527227474.db2.gz JBLFKBFOHLLVTF-NSHDSACASA-N 1 0 266.301 1.170 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)nc1 ZINC000049568822 527411435 /nfs/dbraw/zinc/41/14/35/527411435.db2.gz VKDDNUDNJHTARY-GHMZBOCLSA-N 1 0 263.301 1.424 20 5 CDBDRO CC1(C)CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[NH2+]1 ZINC000177042594 529107832 /nfs/dbraw/zinc/10/78/32/529107832.db2.gz SCLKQKDWYFRNQY-UHFFFAOYSA-N 1 0 278.312 1.001 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000261667558 535968511 /nfs/dbraw/zinc/96/85/11/535968511.db2.gz ZPBPSNPURKSKLM-SCZZXKLOSA-N 1 0 267.333 1.293 20 5 CDBDRO CN(C(=O)c1csc([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000159872770 536070056 /nfs/dbraw/zinc/07/00/56/536070056.db2.gz DSOMKSZFVPXQEB-SECBINFHSA-N 1 0 269.326 1.466 20 5 CDBDRO COc1cc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000262712942 536521318 /nfs/dbraw/zinc/52/13/18/536521318.db2.gz CXKHNDNNSJYBOY-ONGXEEELSA-N 1 0 293.323 1.331 20 5 CDBDRO COc1cc(C[N@H+](C)C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000305811615 536747659 /nfs/dbraw/zinc/74/76/59/536747659.db2.gz IEJHGVFHRKUJCL-VIFPVBQESA-N 1 0 254.286 1.416 20 5 CDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCC[NH2+]C1 ZINC000104342119 1174693796 /nfs/dbraw/zinc/69/37/96/1174693796.db2.gz YFYQANDGNLAAJR-SECBINFHSA-N 1 0 283.353 1.870 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)C1CC1 ZINC000763085006 575024739 /nfs/dbraw/zinc/02/47/39/575024739.db2.gz OCNLWBROIGTVIB-LBPRGKRZSA-N 1 0 266.297 1.464 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](CO)C1CC1 ZINC000771803317 575614103 /nfs/dbraw/zinc/61/41/03/575614103.db2.gz BJYJKNVXDRGDBF-ZDUSSCGKSA-N 1 0 293.323 1.202 20 5 CDBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC1(O)CCC1 ZINC000759875607 576440070 /nfs/dbraw/zinc/44/00/70/576440070.db2.gz CVBUDXIPNOZMLH-ZDUSSCGKSA-N 1 0 280.324 1.475 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](CCCCO)CC1 ZINC000750172281 576980561 /nfs/dbraw/zinc/98/05/61/576980561.db2.gz YSRROBQJAQCXRU-UHFFFAOYSA-N 1 0 294.355 1.193 20 5 CDBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000892608966 617532833 /nfs/dbraw/zinc/53/28/33/617532833.db2.gz STAOJQHROOAWAZ-PWSUYJOCSA-N 1 0 298.364 1.508 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@@H]3CO)co2)cc1 ZINC000934018731 617858175 /nfs/dbraw/zinc/85/81/75/617858175.db2.gz XTBGUGZCADQMFJ-CYBMUJFWSA-N 1 0 289.291 1.816 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NCC[NH+]1CCCCC1 ZINC000891837388 617634834 /nfs/dbraw/zinc/63/48/34/617634834.db2.gz MQNJDGJNGUUFLM-UHFFFAOYSA-N 1 0 253.306 1.226 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000893573103 618145919 /nfs/dbraw/zinc/14/59/19/618145919.db2.gz WQQALRGOWAZLEC-LLVKDONJSA-N 1 0 281.360 1.861 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000892420387 618174245 /nfs/dbraw/zinc/17/42/45/618174245.db2.gz QZJBYFOQRPXHAC-JTQLQIEISA-N 1 0 265.317 1.225 20 5 CDBDRO CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000923425348 618331120 /nfs/dbraw/zinc/33/11/20/618331120.db2.gz KTXYVPTXFIKZKA-UONOGXRCSA-N 1 0 279.340 1.312 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@@H]1CC[NH2+]C1 ZINC000841103609 618395403 /nfs/dbraw/zinc/39/54/03/618395403.db2.gz QPMSQHBGBUORAC-MRVPVSSYSA-N 1 0 284.703 1.732 20 5 CDBDRO COc1c(O)ccc(CN[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000894444908 618889623 /nfs/dbraw/zinc/88/96/23/618889623.db2.gz IWJVOYATVWHEKN-VIFPVBQESA-N 1 0 283.328 1.349 20 5 CDBDRO CCC[C@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)CC[NH2+]1 ZINC000895057251 619241875 /nfs/dbraw/zinc/24/18/75/619241875.db2.gz FOEUSFDXUMCETO-JTQLQIEISA-N 1 0 267.333 1.215 20 5 CDBDRO CCC[C@H]1CN(c2nc(C)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000895059709 619243701 /nfs/dbraw/zinc/24/37/01/619243701.db2.gz WFDOOJNIDVULLQ-NSHDSACASA-N 1 0 264.329 1.877 20 5 CDBDRO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000928555426 619364302 /nfs/dbraw/zinc/36/43/02/619364302.db2.gz JQGMKWNNGHNLNJ-MFKMUULPSA-N 1 0 277.324 1.519 20 5 CDBDRO CNC(=O)C(C)(C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449215371 620567858 /nfs/dbraw/zinc/56/78/58/620567858.db2.gz ZSMUICCGLVSFIY-LLVKDONJSA-N 1 0 293.367 1.888 20 5 CDBDRO Nc1c(C(=O)N2CC([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000898610050 621818222 /nfs/dbraw/zinc/81/82/22/621818222.db2.gz TYKPIUONISUXDC-UHFFFAOYSA-N 1 0 290.323 1.097 20 5 CDBDRO C[C@@H](C[NH2+]CC[N+](=O)[O-])c1nc(-c2ccccc2)no1 ZINC000905192312 626669933 /nfs/dbraw/zinc/66/99/33/626669933.db2.gz ZAAWRNVOFFYMAR-JTQLQIEISA-N 1 0 276.296 1.706 20 5 CDBDRO C[C@@H]1[C@@H]([NH2+]CC[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000905259931 626709934 /nfs/dbraw/zinc/70/99/34/626709934.db2.gz IRRDQSVXBHWBSE-OCCSQVGLSA-N 1 0 263.341 1.516 20 5 CDBDRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905281323 626735628 /nfs/dbraw/zinc/73/56/28/626735628.db2.gz SOVZGSYZUWVCSK-MNOVXSKESA-N 1 0 287.360 1.546 20 5 CDBDRO Cc1ccc(C[C@@H](CO)[NH2+]CC[N+](=O)[O-])cc1C ZINC000905369059 626786851 /nfs/dbraw/zinc/78/68/51/626786851.db2.gz XNESZCGRFSECJW-ZDUSSCGKSA-N 1 0 252.314 1.073 20 5 CDBDRO COC(=O)c1cc(OC[C@@H]2C[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000905731641 626952033 /nfs/dbraw/zinc/95/20/33/626952033.db2.gz NXAHRMOIFQJJGE-ZJUUUORDSA-N 1 0 294.307 1.616 20 5 CDBDRO C[C@H]([NH2+][C@H]1COC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000905867810 627010549 /nfs/dbraw/zinc/01/05/49/627010549.db2.gz OPRKNLYNJCKGNI-KWBADKCTSA-N 1 0 293.323 1.546 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911828794 629557919 /nfs/dbraw/zinc/55/79/19/629557919.db2.gz CMDFHVWSUOGTSW-HZSPNIEDSA-N 1 0 291.351 1.798 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912921468 630290981 /nfs/dbraw/zinc/29/09/81/630290981.db2.gz DOOQLJAONZDLHQ-SNVBAGLBSA-N 1 0 281.337 1.577 20 5 CDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000915622753 631778598 /nfs/dbraw/zinc/77/85/98/631778598.db2.gz CPJHJAVRCSXJLK-JTQLQIEISA-N 1 0 282.344 1.249 20 5 CDBDRO COC(=O)c1ccc(OC[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000916203280 631939030 /nfs/dbraw/zinc/93/90/30/631939030.db2.gz OFTIQNYVGTZNOF-LLVKDONJSA-N 1 0 294.307 1.854 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CNC(=O)C2)c([N+](=O)[O-])c1 ZINC001170314478 1162335109 /nfs/dbraw/zinc/33/51/09/1162335109.db2.gz VYPFXEOQNIGWIL-KOLCDFICSA-N 1 0 293.323 1.013 20 5 CDBDRO COc1ccc(C[C@H](C)N2CC([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001170326679 1162337286 /nfs/dbraw/zinc/33/72/86/1162337286.db2.gz BNQBHEHERSSTGW-NSHDSACASA-N 1 0 293.367 1.780 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170307835 1162339715 /nfs/dbraw/zinc/33/97/15/1162339715.db2.gz IRHUYVHCAFSGFQ-YUSALJHKSA-N 1 0 280.324 1.647 20 5 CDBDRO C[C@@H](Nc1cc2cc[nH]c2c([N+](=O)[O-])c1)[C@H]1C[NH2+]CCO1 ZINC001170571079 1162958873 /nfs/dbraw/zinc/95/88/73/1162958873.db2.gz XYMIIRXCWPMEMP-NOZJJQNGSA-N 1 0 290.323 1.865 20 5 CDBDRO C[C@@H](Nc1cc(F)cc(F)c1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001170571137 1162959208 /nfs/dbraw/zinc/95/92/08/1162959208.db2.gz YISUGMAWEQKAQN-HQJQHLMTSA-N 1 0 287.266 1.662 20 5 CDBDRO O=C(C=C1CCC1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001125561546 1159080572 /nfs/dbraw/zinc/08/05/72/1159080572.db2.gz FGKPBLHWQWBZSD-UHFFFAOYSA-N 1 0 289.335 1.911 20 5 CDBDRO [NH3+]CCc1ccn(-c2cc3cc[nH]c3c([N+](=O)[O-])c2)n1 ZINC001167730439 1159582452 /nfs/dbraw/zinc/58/24/52/1159582452.db2.gz JNXAKEVAPKGDOW-UHFFFAOYSA-N 1 0 271.280 1.763 20 5 CDBDRO O=[N+]([O-])c1cnc(NCc2noc3c2C[NH2+]CC3)c(F)c1 ZINC001155497934 1161967458 /nfs/dbraw/zinc/96/74/58/1161967458.db2.gz ZJRLZKYVPIUOHA-UHFFFAOYSA-N 1 0 293.258 1.375 20 5 CDBDRO CCC(=O)N1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168967508 1161996105 /nfs/dbraw/zinc/99/61/05/1161996105.db2.gz QGXUZZDJZHCDJJ-YPMHNXCESA-N 1 0 283.372 1.422 20 5 CDBDRO COC(=O)c1ccc(C[NH3+])n1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168999015 1161996676 /nfs/dbraw/zinc/99/66/76/1161996676.db2.gz QZSAAIFBALEWQR-VHSXEESVSA-N 1 0 281.312 1.351 20 5 CDBDRO CC(C)n1cnc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168999875 1161997096 /nfs/dbraw/zinc/99/70/96/1161997096.db2.gz VZNFROSMYMVYGJ-NWDGAFQWSA-N 1 0 266.345 1.999 20 5 CDBDRO [NH3+]Cc1cnn(-c2ccc3ccc([N+](=O)[O-])cc3n2)c1 ZINC001157472095 1162107563 /nfs/dbraw/zinc/10/75/63/1162107563.db2.gz WSVRDAORTXOUPE-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000228392976 1164458845 /nfs/dbraw/zinc/45/88/45/1164458845.db2.gz IMOYJCIFVDZFGO-CYBMUJFWSA-N 1 0 277.324 1.348 20 5 CDBDRO [NH3+][C@H]1COC[C@H]1Nc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001155346017 1167136184 /nfs/dbraw/zinc/13/61/84/1167136184.db2.gz RSHSZEGNEYEABW-VHSXEESVSA-N 1 0 274.280 1.281 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@@H]2C[NH2+]Cc3ccsc32)c1 ZINC001155558428 1167232067 /nfs/dbraw/zinc/23/20/67/1167232067.db2.gz CFHLFFIUBVOLNI-SNVBAGLBSA-N 1 0 292.320 1.546 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001574098617 1170877829 /nfs/dbraw/zinc/87/78/29/1170877829.db2.gz GHCBRZSUERTSHG-IFUGULHKSA-N 1 0 289.335 1.772 20 5 CDBDRO [NH3+]C1(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC001574269125 1170936065 /nfs/dbraw/zinc/93/60/65/1170936065.db2.gz OSIITVMPPXNPKJ-UHFFFAOYSA-N 1 0 272.264 1.573 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001579460593 1172187042 /nfs/dbraw/zinc/18/70/42/1172187042.db2.gz ANVGSLVWUNUDAS-LDYMZIIASA-N 1 0 299.277 1.411 20 5 CDBDRO [NH3+]C1CC(CC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC001580159993 1172366041 /nfs/dbraw/zinc/36/60/41/1172366041.db2.gz HJGYYKYWRAHRJX-UHFFFAOYSA-N 1 0 277.324 1.381 20 5 CDBDRO O=C(N[C@@H]1C[NH2+]CC12CC2)c1cc([N+](=O)[O-])ccc1Cl ZINC001580622075 1172488860 /nfs/dbraw/zinc/48/88/60/1172488860.db2.gz GIBIGWBYCVWPBT-LLVKDONJSA-N 1 0 295.726 1.730 20 5 CDBDRO O=C(N[C@H]1C[NH2+]CC12CC2)c1ccccc1[N+](=O)[O-] ZINC001580623584 1172490451 /nfs/dbraw/zinc/49/04/51/1172490451.db2.gz WCJMKLYZTDTIBQ-NSHDSACASA-N 1 0 261.281 1.077 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC2(C[NH2+]C2)C1 ZINC001580821722 1172550077 /nfs/dbraw/zinc/55/00/77/1172550077.db2.gz CLCFKABHVONEPW-UHFFFAOYSA-N 1 0 298.302 1.188 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[NH2+][C@@H]3C[C@@H]32)c(Cl)c1 ZINC001580876044 1172558640 /nfs/dbraw/zinc/55/86/40/1172558640.db2.gz YJPNHIZBGPYGEW-BDAKNGLRSA-N 1 0 254.677 1.194 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2CCS(=O)CC2)cc1 ZINC000158191748 1178216004 /nfs/dbraw/zinc/21/60/04/1178216004.db2.gz STZZXGKUHJJIRO-UHFFFAOYSA-N 1 0 298.364 1.474 20 5 CDBDRO CC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000236647598 1178366101 /nfs/dbraw/zinc/36/61/01/1178366101.db2.gz AUCDMIXBYVYWBW-UHFFFAOYSA-N 1 0 251.286 1.211 20 5 CDBDRO Cc1ccnc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC001164635770 719170722 /nfs/dbraw/zinc/17/07/22/719170722.db2.gz LSBNGKCCAYIVHP-QWRGUYRKSA-N 1 0 264.329 1.827 20 5 CDBDRO COc1ncnc(N(C)CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001165041069 721933961 /nfs/dbraw/zinc/93/39/61/721933961.db2.gz FUQWGOQCSZUCCM-UHFFFAOYSA-N 1 0 295.343 1.171 20 5 CDBDRO CCn1cnc2c1CCN(CCn1cc([N+](=O)[O-])cn1)C2 ZINC000933257649 782238616 /nfs/dbraw/zinc/23/86/16/782238616.db2.gz LJUCRJUXEGUQDJ-UHFFFAOYSA-N 1 0 290.327 1.066 20 5 CDBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000868008661 1164896984 /nfs/dbraw/zinc/89/69/84/1164896984.db2.gz UAMRUPFCTDMWRF-NSHDSACASA-N 1 0 291.351 1.642 20 5 CDBDRO CC(C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001021845797 782398919 /nfs/dbraw/zinc/39/89/19/782398919.db2.gz LHPOBHPKWPBUHH-BETUJISGSA-N 1 0 291.351 1.988 20 5 CDBDRO COCc1ccc([C@@H]2CCCN2CC[N+](=O)[O-])o1 ZINC000798197579 782392132 /nfs/dbraw/zinc/39/21/32/782392132.db2.gz SNRJNBGRLHZAAX-NSHDSACASA-N 1 0 254.286 1.840 20 5 CDBDRO CC[NH2+]CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700608050 782489884 /nfs/dbraw/zinc/48/98/84/782489884.db2.gz BLVSQILNYASIDZ-UHFFFAOYSA-N 1 0 271.704 1.588 20 5 CDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@@H]1OCCc2sccc21 ZINC000930560707 782587617 /nfs/dbraw/zinc/58/76/17/782587617.db2.gz NCCXJCHFYBJBIF-KWQFWETISA-N 1 0 256.327 1.617 20 5 CDBDRO CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1(C)C ZINC000113246823 782663944 /nfs/dbraw/zinc/66/39/44/782663944.db2.gz OEOQYUFEWOFEGE-UHFFFAOYSA-N 1 0 292.339 1.343 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@H](C)[NH3+])n2)c1 ZINC000843223319 782765947 /nfs/dbraw/zinc/76/59/47/782765947.db2.gz PSLLFLUOSLHHAB-QMMMGPOBSA-N 1 0 292.295 1.467 20 5 CDBDRO [NH3+]C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000087383658 782793609 /nfs/dbraw/zinc/79/36/09/782793609.db2.gz MZHQNURDZBATHU-NSHDSACASA-N 1 0 283.715 1.715 20 5 CDBDRO COC[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783629364 782849289 /nfs/dbraw/zinc/84/92/89/782849289.db2.gz ORQGYMAIUYUGGQ-GFCCVEGCSA-N 1 0 288.731 1.735 20 5 CDBDRO C[N@@H+]1CCC[C@H]1CCn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829838390 782948155 /nfs/dbraw/zinc/94/81/55/782948155.db2.gz WVCNOYJTDBXQOT-QMMMGPOBSA-N 1 0 269.261 1.184 20 5 CDBDRO CN(C)C(=[NH2+])NCCNc1ccc([N+](=O)[O-])cc1 ZINC000848982764 783091708 /nfs/dbraw/zinc/09/17/08/783091708.db2.gz NUQFTAAMOLERAG-UHFFFAOYSA-N 1 0 251.290 1.093 20 5 CDBDRO Cc1nnsc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000877522251 1166052147 /nfs/dbraw/zinc/05/21/47/1166052147.db2.gz MQQAEMRFOMKDSA-UHFFFAOYSA-N 1 0 293.352 1.720 20 5 CDBDRO O=[N+]([O-])c1cnn(CN2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000789512780 780221950 /nfs/dbraw/zinc/22/19/50/780221950.db2.gz HZWVEIRVMOUNSK-NWDGAFQWSA-N 1 0 266.301 1.392 20 5 CDBDRO COC[C@@H]([NH3+])C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000262332872 780265401 /nfs/dbraw/zinc/26/54/01/780265401.db2.gz RVMMAYFGKSGWPK-GFCCVEGCSA-N 1 0 293.323 1.060 20 5 CDBDRO CC[NH2+]CC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856943 780272284 /nfs/dbraw/zinc/27/22/84/780272284.db2.gz DDXWLBMYLNWURE-UHFFFAOYSA-N 1 0 251.286 1.129 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC23CCC3)c1 ZINC000872251034 780292602 /nfs/dbraw/zinc/29/26/02/780292602.db2.gz MKIPTNGBKMVJRX-TZMCWYRMSA-N 1 0 292.335 1.867 20 5 CDBDRO CS[C@H](C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000162715131 780476822 /nfs/dbraw/zinc/47/68/22/780476822.db2.gz PAKSVCNAKZTWTR-BXKDBHETSA-N 1 0 270.354 1.969 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000822634152 780639436 /nfs/dbraw/zinc/63/94/36/780639436.db2.gz DXIYYGSGASKLDY-BQBZGAKWSA-N 1 0 277.284 1.678 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841011390 780889867 /nfs/dbraw/zinc/88/98/67/780889867.db2.gz PITAIXZLBVYHQQ-ZCFIWIBFSA-N 1 0 272.692 1.717 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866309043 780890579 /nfs/dbraw/zinc/89/05/79/780890579.db2.gz BFPCGZAVVGYDOG-UHFFFAOYSA-N 1 0 283.303 1.296 20 5 CDBDRO CC1(C)OCC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886223338 780967837 /nfs/dbraw/zinc/96/78/37/780967837.db2.gz JZBMHWHVLGXIPL-JTQLQIEISA-N 1 0 251.286 1.647 20 5 CDBDRO O=[N+]([O-])c1c(NC[C@H]2CCC[NH2+]2)nc2sccn21 ZINC000053255266 781017865 /nfs/dbraw/zinc/01/78/65/781017865.db2.gz ZHLQZAORFOKBOJ-SSDOTTSWSA-N 1 0 267.314 1.468 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855812461 781146791 /nfs/dbraw/zinc/14/67/91/781146791.db2.gz VOAIWOOCXBJVOH-RAIGVLPGSA-N 1 0 281.356 1.175 20 5 CDBDRO CC[N@H+](C)C[C@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173499409 781268299 /nfs/dbraw/zinc/26/82/99/781268299.db2.gz GSXLGMSEVKRFGA-LLVKDONJSA-N 1 0 267.333 1.022 20 5 CDBDRO C[C@H](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000839726697 781427712 /nfs/dbraw/zinc/42/77/12/781427712.db2.gz RKHXWFSNIYUXCG-IJLUTSLNSA-N 1 0 269.345 1.032 20 5 CDBDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815582726 781595970 /nfs/dbraw/zinc/59/59/70/781595970.db2.gz NXBLTWRTWQXYPD-MWLCHTKSSA-N 1 0 299.396 1.942 20 5 CDBDRO CCCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001045437708 781742838 /nfs/dbraw/zinc/74/28/38/781742838.db2.gz ZCXKNOBQWWGDDP-VXGBXAGGSA-N 1 0 283.372 1.422 20 5 CDBDRO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000071312682 783339492 /nfs/dbraw/zinc/33/94/92/783339492.db2.gz KCLIHRCKMLNHNR-GFCCVEGCSA-N 1 0 278.312 1.811 20 5 CDBDRO CC(C)=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048812887 783531215 /nfs/dbraw/zinc/53/12/15/783531215.db2.gz SPXBVYUSWCEGOM-XJFOESAGSA-N 1 0 293.367 1.008 20 5 CDBDRO COc1cnc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001155404127 1167159314 /nfs/dbraw/zinc/15/93/14/1167159314.db2.gz WOPSSKITNZKELF-WCQYABFASA-N 1 0 278.312 1.695 20 5 CDBDRO C[C@@H](OC(=O)[C@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001574105114 1167630642 /nfs/dbraw/zinc/63/06/42/1167630642.db2.gz MZHSPMSEUCRLAB-ZJUUUORDSA-N 1 0 264.281 1.809 20 5 CDBDRO COCC[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173175425 912279275 /nfs/dbraw/zinc/27/92/75/912279275.db2.gz NDSXYSAGHNZTMF-VIFPVBQESA-N 1 0 286.303 1.910 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCC(N)=O)c1F ZINC001173189979 912287705 /nfs/dbraw/zinc/28/77/05/912287705.db2.gz SGQBFZTWPBYTFW-MRVPVSSYSA-N 1 0 299.302 1.139 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(C)C1=O ZINC001173215531 912298388 /nfs/dbraw/zinc/29/83/88/912298388.db2.gz WNOXDJBRHKBDCS-GWCFXTLKSA-N 1 0 277.324 1.346 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CNC(=O)C1 ZINC001173220071 912306438 /nfs/dbraw/zinc/30/64/38/912306438.db2.gz SSQRLKOOPPFTBD-MWLCHTKSSA-N 1 0 263.297 1.004 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cc(C[NH3+])cnc1=N ZINC001173226548 912323574 /nfs/dbraw/zinc/32/35/74/912323574.db2.gz XQFIZHVZHZNZAE-SNVBAGLBSA-N 1 0 287.323 1.533 20 5 CDBDRO Cc1nc(CC[NH3+])nn1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173234794 912327914 /nfs/dbraw/zinc/32/79/14/912327914.db2.gz QDEIVOIOVGLBRH-JTQLQIEISA-N 1 0 289.339 1.800 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(C)CC1 ZINC001173230452 912327086 /nfs/dbraw/zinc/32/70/86/912327086.db2.gz YFJPBHHQFDMBEM-GFCCVEGCSA-N 1 0 263.341 1.773 20 5 CDBDRO CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001040699468 912631021 /nfs/dbraw/zinc/63/10/21/912631021.db2.gz DISFBXSPVLOZLO-CHWSQXEVSA-N 1 0 295.383 1.376 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCO[C@@H]2CCOC2)cc1 ZINC000724914084 897523604 /nfs/dbraw/zinc/52/36/04/897523604.db2.gz YOSMAYDLYJIUMX-CQSZACIVSA-N 1 0 280.324 1.532 20 5 CDBDRO Cc1ncc(C[NH3+])c(=N)n1-c1nc(Cl)ccc1[N+](=O)[O-] ZINC001167674439 897665482 /nfs/dbraw/zinc/66/54/82/897665482.db2.gz POVXTOWBBAREQM-UHFFFAOYSA-N 1 0 294.702 1.075 20 5 CDBDRO C[NH2+]CCNc1cc([N+](=O)[O-])ccc1C(=O)OC ZINC001167724997 899398742 /nfs/dbraw/zinc/39/87/42/899398742.db2.gz ZIMWFCJNDSPXRX-UHFFFAOYSA-N 1 0 253.258 1.013 20 5 CDBDRO C[NH2+]CCNc1nccc(Br)c1[N+](=O)[O-] ZINC001167726099 899423611 /nfs/dbraw/zinc/42/36/11/899423611.db2.gz QYDMMRLFVSOJRV-UHFFFAOYSA-N 1 0 275.106 1.384 20 5 CDBDRO N=C(Nc1nc2c(cc1[N+](=O)[O-])CCCC2)SCC[NH3+] ZINC001167914633 901027119 /nfs/dbraw/zinc/02/71/19/901027119.db2.gz YCRUUXKZARHCLV-UHFFFAOYSA-N 1 0 295.368 1.907 20 5 CDBDRO N=C(Nc1ncnc(Cl)c1[N+](=O)[O-])SCC[NH3+] ZINC001167909416 902098790 /nfs/dbraw/zinc/09/87/90/902098790.db2.gz IYZLRSIFQNFFIP-UHFFFAOYSA-N 1 0 276.709 1.077 20 5 CDBDRO [NH3+]Cc1cnn(-c2nc(Cl)ccc2[N+](=O)[O-])c1 ZINC001168262063 908011960 /nfs/dbraw/zinc/01/19/60/908011960.db2.gz KAPLEDHWRBANQX-UHFFFAOYSA-N 1 0 253.649 1.288 20 5 CDBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](C[NH3+])C1CC1 ZINC000159908783 909847789 /nfs/dbraw/zinc/84/77/89/909847789.db2.gz IUPJFGJQGSGKCE-GFCCVEGCSA-N 1 0 278.312 1.796 20 5 CDBDRO CC(C)OC(=O)N1CCC(OCC[N+](C)(C)C)CC1 ZINC001224772407 910664591 /nfs/dbraw/zinc/66/45/91/910664591.db2.gz ZKQSUALXPMQPRE-UHFFFAOYSA-N 1 0 273.397 1.719 20 5 CDBDRO CN(C)C(=O)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897009 912035330 /nfs/dbraw/zinc/03/53/30/912035330.db2.gz WDYVOQCJEFHJGO-CYBMUJFWSA-N 1 0 291.351 1.520 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CC(CO)C1)CC2 ZINC001172914590 912050963 /nfs/dbraw/zinc/05/09/63/912050963.db2.gz IBFAZFUFMSEJRG-AWEZNQCLSA-N 1 0 276.336 1.766 20 5 CDBDRO O=C1C[C@@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CN1 ZINC001172913863 912051325 /nfs/dbraw/zinc/05/13/25/912051325.db2.gz ZSZFLUHXMRULER-QWHCGFSZSA-N 1 0 289.335 1.320 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000070303760 917313143 /nfs/dbraw/zinc/31/31/43/917313143.db2.gz XRPXGTSKLICPHW-UHFFFAOYSA-N 1 0 271.704 1.540 20 5 CDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cc[nH]c1 ZINC001127897516 918964370 /nfs/dbraw/zinc/96/43/70/918964370.db2.gz ZNVAOUBBGZJUJG-UHFFFAOYSA-N 1 0 294.336 1.504 20 5 CDBDRO CCC1(Nc2cnc([N+](=O)[O-])c(OC)c2)C[NH2+]C1 ZINC001168582165 919283827 /nfs/dbraw/zinc/28/38/27/919283827.db2.gz JIWQHBNUFIOTAM-UHFFFAOYSA-N 1 0 252.274 1.162 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1CC2(C1)OCCO2 ZINC000922800038 921819580 /nfs/dbraw/zinc/81/95/80/921819580.db2.gz UFDDISBABVLGMM-UHFFFAOYSA-N 1 0 278.308 1.838 20 5 CDBDRO C[C@@H]([NH3+])CN(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000700732200 922275895 /nfs/dbraw/zinc/27/58/95/922275895.db2.gz AKMAVSVRGMHNKG-SECBINFHSA-N 1 0 283.353 1.493 20 5 CDBDRO CCOc1cc([N+](=O)[O-])ccc1-n1nccc1C[NH3+] ZINC001162593293 922791781 /nfs/dbraw/zinc/79/17/81/922791781.db2.gz GDWMGRKJGOKHQB-UHFFFAOYSA-N 1 0 262.269 1.638 20 5 CDBDRO C[NH+](C)CC(C)(C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000837245933 936835126 /nfs/dbraw/zinc/83/51/26/936835126.db2.gz MBBIDQQTVHYHQU-GFCCVEGCSA-N 1 0 295.339 1.085 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000839193650 936908435 /nfs/dbraw/zinc/90/84/35/936908435.db2.gz YVGVGOUUSAFYJE-SNPRPXQTSA-N 1 0 292.335 1.739 20 5 CDBDRO CCC[C@@H](CCO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000716971023 925358856 /nfs/dbraw/zinc/35/88/56/925358856.db2.gz MTYWOHONIVLSLT-GXTWGEPZSA-N 1 0 282.340 1.769 20 5 CDBDRO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000828304416 926097181 /nfs/dbraw/zinc/09/71/81/926097181.db2.gz WUVOMSOBSPEEKH-NSHDSACASA-N 1 0 263.297 1.209 20 5 CDBDRO [NH3+]Cc1ccnn1-c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001155125773 926569620 /nfs/dbraw/zinc/56/96/20/926569620.db2.gz ZPLNSOGYPNNVAA-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO Cc1cnc(OCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000776432778 927047136 /nfs/dbraw/zinc/04/71/36/927047136.db2.gz CSIBBVXYQFZOGO-UHFFFAOYSA-N 1 0 251.286 1.773 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@H]([NH3+])C1CC1)CC2 ZINC000843495948 937156630 /nfs/dbraw/zinc/15/66/30/937156630.db2.gz XVXPIKFXFGSKIJ-LBPRGKRZSA-N 1 0 289.335 1.920 20 5 CDBDRO [NH3+]CCN(c1cccnc1)c1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001168831041 927478583 /nfs/dbraw/zinc/47/85/83/927478583.db2.gz DYGVTBQOMAAJGM-UHFFFAOYSA-N 1 0 298.306 1.963 20 5 CDBDRO COc1nccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168979461 927567574 /nfs/dbraw/zinc/56/75/74/927567574.db2.gz YFJLUGZYVWKNSI-VHSXEESVSA-N 1 0 266.301 1.020 20 5 CDBDRO CCc1coc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168965249 927586274 /nfs/dbraw/zinc/58/62/74/927586274.db2.gz YOTRRLZQMRZFTC-GXSJLCMTSA-N 1 0 253.302 1.772 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCN2CCC(F)(F)C2)C1 ZINC001168990250 927630046 /nfs/dbraw/zinc/63/00/46/927630046.db2.gz ZBEOQZNHHXIHNI-WDEREUQCSA-N 1 0 277.315 1.362 20 5 CDBDRO CCOCC[NH+](CCOCC)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169034572 927641015 /nfs/dbraw/zinc/64/10/15/927641015.db2.gz HYKUJBRQJZRNEB-ZIAGYGMSSA-N 1 0 288.388 1.807 20 5 CDBDRO C[N@H+]1C[C@H]2[C@H](C1)CCCN2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169034507 927641281 /nfs/dbraw/zinc/64/12/81/927641281.db2.gz GRBZLPFJZBBCIF-RQJABVFESA-N 1 0 267.373 1.458 20 5 CDBDRO Cn1cc2c(n1)CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169035350 927643377 /nfs/dbraw/zinc/64/33/77/927643377.db2.gz KMHAORQMEOALLF-ZYHUDNBSSA-N 1 0 264.329 1.224 20 5 CDBDRO C[C@@H]1CO[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]12 ZINC001169035837 927644798 /nfs/dbraw/zinc/64/47/98/927644798.db2.gz DAKIPXPBZNLSLP-SYLRKERUSA-N 1 0 254.330 1.399 20 5 CDBDRO CC(=O)N1CCC[C@H]([N@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169041008 927653234 /nfs/dbraw/zinc/65/32/34/927653234.db2.gz AJBOVLOMEJBHGS-RDBSUJKOSA-N 1 0 283.372 1.375 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](n3ccnn3)C2)C1 ZINC001169044533 927656314 /nfs/dbraw/zinc/65/63/14/927656314.db2.gz IEQYNFHDKQPPSQ-FRRDWIJNSA-N 1 0 279.344 1.360 20 5 CDBDRO CC(C)(C)C(=O)N1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169046711 927667408 /nfs/dbraw/zinc/66/74/08/927667408.db2.gz MCXQYDNQMOCVFL-CHWSQXEVSA-N 1 0 297.399 1.622 20 5 CDBDRO CN1C(=O)CC[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@@H]21 ZINC001169050612 927668257 /nfs/dbraw/zinc/66/82/57/927668257.db2.gz BYIVNGXZLGEHDF-SYQHCUMBSA-N 1 0 295.383 1.375 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](Oc3ncccn3)C2)C1 ZINC001169050630 927669415 /nfs/dbraw/zinc/66/94/15/927669415.db2.gz CANLJZIUOAFASH-FRRDWIJNSA-N 1 0 292.339 1.375 20 5 CDBDRO CN(C)C(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169055319 927671036 /nfs/dbraw/zinc/67/10/36/927671036.db2.gz PLIIIHOWGQFOJV-JHJVBQTASA-N 1 0 298.387 1.167 20 5 CDBDRO COc1cc2c(cn1)CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169057728 927676057 /nfs/dbraw/zinc/67/60/57/927676057.db2.gz XMXLFZHSQOATLA-BXUZGUMPSA-N 1 0 291.351 1.894 20 5 CDBDRO C[C@H]([NH2+]C[C@H]1CCC(=O)O1)c1ccc([N+](=O)[O-])cc1 ZINC000852096725 927708845 /nfs/dbraw/zinc/70/88/45/927708845.db2.gz NIXKUADEVBGALO-JOYOIKCWSA-N 1 0 264.281 1.951 20 5 CDBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776602173 927814240 /nfs/dbraw/zinc/81/42/40/927814240.db2.gz TZVIRABEUCJTRC-OASPWFOLSA-N 1 0 266.297 1.083 20 5 CDBDRO C[C@H](O)[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852559382 927815399 /nfs/dbraw/zinc/81/53/99/927815399.db2.gz PVJARJOYZYCOGE-GDLCADMTSA-N 1 0 280.324 1.473 20 5 CDBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H](O)c2ccccn2)c1 ZINC000853104680 927950524 /nfs/dbraw/zinc/95/05/24/927950524.db2.gz WEDRPJDIBKRXBZ-OAHLLOKOSA-N 1 0 287.319 1.856 20 5 CDBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1)C(C)C ZINC000853254192 927993631 /nfs/dbraw/zinc/99/36/31/927993631.db2.gz XLUKNGAWEJXNTE-UHFFFAOYSA-N 1 0 294.355 1.836 20 5 CDBDRO C[C@@H]1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)CC[NH2+]1 ZINC001156688894 928925094 /nfs/dbraw/zinc/92/50/94/928925094.db2.gz AICWNVCDYROCMD-SECBINFHSA-N 1 0 273.296 1.336 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)OCC[NH+]1CCC1 ZINC000861387593 929288565 /nfs/dbraw/zinc/28/85/65/929288565.db2.gz HUNIYAMXGASIGL-UHFFFAOYSA-N 1 0 278.308 1.776 20 5 CDBDRO COc1cc(C)nc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001159500206 930315254 /nfs/dbraw/zinc/31/52/54/930315254.db2.gz WLWPPDFQAHGUIU-ONGXEEELSA-N 1 0 296.327 1.096 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1ncc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001170856837 930454762 /nfs/dbraw/zinc/45/47/62/930454762.db2.gz BIYLXTQTKCLTDH-CYBMUJFWSA-N 1 0 282.344 1.757 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001170860713 930488311 /nfs/dbraw/zinc/48/83/11/930488311.db2.gz WHTZUOIIZOKHAZ-GFCCVEGCSA-N 1 0 295.274 1.146 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000884297611 930515447 /nfs/dbraw/zinc/51/54/47/930515447.db2.gz UGZYBJFZQVAXAO-SNVBAGLBSA-N 1 0 265.313 1.679 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818016468 930675272 /nfs/dbraw/zinc/67/52/72/930675272.db2.gz VZWNRNOVCCOGGY-GFCCVEGCSA-N 1 0 281.337 1.624 20 5 CDBDRO CC[NH2+]CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000818501036 930712418 /nfs/dbraw/zinc/71/24/18/930712418.db2.gz PSJHGOWBVGVUHL-JTQLQIEISA-N 1 0 265.313 1.690 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000818609708 930734556 /nfs/dbraw/zinc/73/45/56/930734556.db2.gz WJJAAYOKKUHZTP-JTQLQIEISA-N 1 0 277.324 1.648 20 5 CDBDRO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000886127586 930810644 /nfs/dbraw/zinc/81/06/44/930810644.db2.gz NLRANFMBQQRROD-PWSUYJOCSA-N 1 0 265.313 1.895 20 5 CDBDRO CC1(C)[C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000886229390 930832569 /nfs/dbraw/zinc/83/25/69/930832569.db2.gz OYFFBSODDKHUPF-TUAOUCFPSA-N 1 0 277.324 1.893 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886876224 930983623 /nfs/dbraw/zinc/98/36/23/930983623.db2.gz YRIBMPHAXHTQPW-OAHLLOKOSA-N 1 0 290.367 1.955 20 5 CDBDRO C[N@H+](CCCF)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000887141228 931026208 /nfs/dbraw/zinc/02/62/08/931026208.db2.gz KHVXKQZAOLEKJJ-LBPRGKRZSA-N 1 0 256.277 1.920 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000823235921 931269834 /nfs/dbraw/zinc/26/98/34/931269834.db2.gz VWVNAEOUGXBCAS-HTQZYQBOSA-N 1 0 256.306 1.508 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@@H]1c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000823235017 931270861 /nfs/dbraw/zinc/27/08/61/931270861.db2.gz OQDHHLOQRLZWKI-VHSXEESVSA-N 1 0 282.344 1.913 20 5 CDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000825158712 931494280 /nfs/dbraw/zinc/49/42/80/931494280.db2.gz WZTLHTRFWRJNPU-LBPRGKRZSA-N 1 0 292.339 1.295 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](Nc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001154984979 937616364 /nfs/dbraw/zinc/61/63/64/937616364.db2.gz JWGPHQJHCPRARN-JGVFFNPUSA-N 1 0 286.719 1.563 20 5 CDBDRO COc1cnc(-n2cc3ccc(C[NH3+])cc3n2)cc1[N+](=O)[O-] ZINC001171321001 932655078 /nfs/dbraw/zinc/65/50/78/932655078.db2.gz NGVQBHKTFMWLJL-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(C)(C)[NH3+] ZINC001118506534 937634750 /nfs/dbraw/zinc/63/47/50/937634750.db2.gz PRECNYSIHPUEMU-UHFFFAOYSA-N 1 0 280.328 1.446 20 5 CDBDRO CC(C)Oc1nc(-n2nccc2C[NH3+])ccc1[N+](=O)[O-] ZINC001155130331 937639918 /nfs/dbraw/zinc/63/99/18/937639918.db2.gz LYGVHYUHKBLVDU-UHFFFAOYSA-N 1 0 277.284 1.421 20 5 CDBDRO O=[N+]([O-])CC[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000929724350 933263056 /nfs/dbraw/zinc/26/30/56/933263056.db2.gz QKKYUDOBDYDHOY-AWEZNQCLSA-N 1 0 264.325 1.802 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(Cc3cccnc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931442395 933563053 /nfs/dbraw/zinc/56/30/53/933563053.db2.gz FZZMMHTYDWVFND-YPMHNXCESA-N 1 0 276.340 1.373 20 5 CDBDRO CCO[C@@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])C12CCCCC2 ZINC001119852151 937760361 /nfs/dbraw/zinc/76/03/61/937760361.db2.gz RESHKWRCOKBNSO-VXGBXAGGSA-N 1 0 256.346 1.981 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@@H](C)C[NH+](C)C ZINC001119959929 937768139 /nfs/dbraw/zinc/76/81/39/937768139.db2.gz YLQXTTWCNXHMTK-SECBINFHSA-N 1 0 268.317 1.608 20 5 CDBDRO O=C(C[C@@H]1CC[NH2+]C1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000089746391 934808814 /nfs/dbraw/zinc/80/88/14/934808814.db2.gz JFPVFVNAVXDMNE-LBPRGKRZSA-N 1 0 277.324 1.253 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](CO)CC2CC2)cc1 ZINC001120503095 937804646 /nfs/dbraw/zinc/80/46/46/937804646.db2.gz ITEICCVWUNSHMK-IUODEOHRSA-N 1 0 294.351 1.626 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCCC[C@H]2CCO)cc1 ZINC000250256365 934974887 /nfs/dbraw/zinc/97/48/87/934974887.db2.gz QQOSCEATMZWJIW-ZFWWWQNUSA-N 1 0 294.351 1.865 20 5 CDBDRO C[N@@H+]1CCC[C@H](CCNc2ccc([N+](=O)[O-])c(N)n2)C1 ZINC001156389404 938362078 /nfs/dbraw/zinc/36/20/78/938362078.db2.gz PFAAWLLOFLLKLL-SNVBAGLBSA-N 1 0 279.344 1.716 20 5 CDBDRO [NH3+]CCc1ccn(-c2ccc3c(cccc3[N+](=O)[O-])n2)n1 ZINC001156898819 938431216 /nfs/dbraw/zinc/43/12/16/938431216.db2.gz ZOJQXAQUTRLFKY-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N(C)[C@]1(C)CCC[NH2+]C1 ZINC001156956013 938438478 /nfs/dbraw/zinc/43/84/78/938438478.db2.gz LYUPPATVFJMTGO-CYBMUJFWSA-N 1 0 264.329 1.877 20 5 CDBDRO CCOc1nc(N(C)[C@@]2(C)CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001156968922 938440139 /nfs/dbraw/zinc/44/01/39/938440139.db2.gz ZOZHVTGWOMPMCT-AWEZNQCLSA-N 1 0 294.355 1.967 20 5 CDBDRO CCOc1nc(NC(=N)SCC[NH3+])ccc1[N+](=O)[O-] ZINC001157129460 938457791 /nfs/dbraw/zinc/45/77/91/938457791.db2.gz MDKFJDOSLMHELL-UHFFFAOYSA-N 1 0 285.329 1.427 20 5 CDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ncc([N+](=O)[O-])cc1N ZINC001157803861 938548718 /nfs/dbraw/zinc/54/87/18/938548718.db2.gz VKRFLAVEHIHJBC-RYUDHWBXSA-N 1 0 279.344 1.857 20 5 CDBDRO [NH3+][C@H]1CCc2nn(-c3cc([N+](=O)[O-])cc(Cl)n3)cc2C1 ZINC001157979590 938571194 /nfs/dbraw/zinc/57/11/94/938571194.db2.gz GICSOPLRXQCMAF-QMMMGPOBSA-N 1 0 293.714 1.645 20 5 CDBDRO Cc1nc(Cl)nc(N2C[C@H](C)[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC001158172416 938590667 /nfs/dbraw/zinc/59/06/67/938590667.db2.gz GTAFYBIWXJBYTC-BQBZGAKWSA-N 1 0 285.735 1.533 20 5 CDBDRO [NH3+]Cc1ccn(-c2cc([N+](=O)[O-])c3cc[nH]c3n2)c1 ZINC001158766500 938661806 /nfs/dbraw/zinc/66/18/06/938661806.db2.gz GGTPTUVTUKZFRS-UHFFFAOYSA-N 1 0 257.253 1.721 20 5 CDBDRO O=[N+]([O-])c1cccc2ccc(NC[C@@H]3COCC[NH2+]3)nc21 ZINC001159042744 938695701 /nfs/dbraw/zinc/69/57/01/938695701.db2.gz JJEYTDOVUZPQJD-LLVKDONJSA-N 1 0 288.307 1.543 20 5 CDBDRO Cc1c(C)c(NCC2C[NH+](C)C2)ncc1[N+](=O)[O-] ZINC001159218924 938713346 /nfs/dbraw/zinc/71/33/46/938713346.db2.gz FCMVIJOVRVNAKC-UHFFFAOYSA-N 1 0 250.302 1.580 20 5 CDBDRO OC[C@H]1C[NH2+]C[C@H]1Nc1ccc2ccc3cccnc3c2n1 ZINC001159670468 938743915 /nfs/dbraw/zinc/74/39/15/938743915.db2.gz FNPVHNYJBFQHLN-ZIAGYGMSSA-N 1 0 294.358 1.775 20 5 CDBDRO CCOc1nc(NCC[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC001159773212 938751612 /nfs/dbraw/zinc/75/16/12/938751612.db2.gz YCRQTOGYIXTHOY-MRVPVSSYSA-N 1 0 254.290 1.538 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@H]2CC[N@@H+](C3CCC3)C2)c1 ZINC001161176638 938878004 /nfs/dbraw/zinc/87/80/04/938878004.db2.gz ZWEFXTVTCJERMB-JTQLQIEISA-N 1 0 278.312 1.267 20 5 CDBDRO Cc1c(NCC[NH+](C)C)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001161668380 938918974 /nfs/dbraw/zinc/91/89/74/938918974.db2.gz HPSVMTAUZCRQOG-UHFFFAOYSA-N 1 0 268.273 1.785 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N(CC[NH3+])c2ccc(F)cc2)n1 ZINC001161877429 938939017 /nfs/dbraw/zinc/93/90/17/938939017.db2.gz JBNBBBJIDADKEJ-UHFFFAOYSA-N 1 0 291.286 1.929 20 5 CDBDRO [NH3+]Cc1ccnn1-c1cc(F)cc(F)c1[N+](=O)[O-] ZINC001162593858 939097272 /nfs/dbraw/zinc/09/72/72/939097272.db2.gz SNQNDRZRDSGMBO-UHFFFAOYSA-N 1 0 254.196 1.517 20 5 CDBDRO [NH3+]Cc1ccnn1-c1ccnc2c1cccc2[N+](=O)[O-] ZINC001162597102 939098898 /nfs/dbraw/zinc/09/88/98/939098898.db2.gz COVHRGSXGZSGFC-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ccnc1N[C@@H]1C=C[C@H]2C[NH2+]C[C@@H]21 ZINC001162789323 939139196 /nfs/dbraw/zinc/13/91/96/939139196.db2.gz CIIBNBNWXBROSQ-OYNCUSHFSA-N 1 0 280.715 1.829 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N[C@@H]1C=C[C@@H]2C[NH2+]C[C@@H]12 ZINC001162791922 939140928 /nfs/dbraw/zinc/14/09/28/939140928.db2.gz FEWPDHHUFWTJNE-OASPWFOLSA-N 1 0 297.318 1.724 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1N[C@@H]1C=C[C@H]2C[NH2+]C[C@@H]21 ZINC001162795340 939143158 /nfs/dbraw/zinc/14/31/58/939143158.db2.gz VCMUOVBSIJNDFI-UJNFCWOMSA-N 1 0 264.260 1.315 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N[C@H](C[NH3+])c2ccccc2)n1 ZINC001163294721 939241739 /nfs/dbraw/zinc/24/17/39/939241739.db2.gz ZACKSCGGSJZXIW-LLVKDONJSA-N 1 0 273.296 1.805 20 5 CDBDRO COc1cc(C)c([N+](=O)[O-])cc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001163342715 939251673 /nfs/dbraw/zinc/25/16/73/939251673.db2.gz FFQXJXNVYRQFAM-PUYPPJJSSA-N 1 0 293.323 1.453 20 5 CDBDRO CC[N@@H+]1CCCN(c2nc(C)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001163771350 939326247 /nfs/dbraw/zinc/32/62/47/939326247.db2.gz PMOQOJSBDASNSL-UHFFFAOYSA-N 1 0 299.762 1.879 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cc(-n2ncc3c2CC[NH2+]C3)n1 ZINC001165219081 939526514 /nfs/dbraw/zinc/52/65/14/939526514.db2.gz QBAWJFYTMRHBMB-UHFFFAOYSA-N 1 0 279.687 1.475 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1-n1c(=N)sc2c1CC[NH2+]C2 ZINC001166859616 939645674 /nfs/dbraw/zinc/64/56/74/939645674.db2.gz JMHURFKOCQWPJK-UHFFFAOYSA-N 1 0 291.336 1.276 20 5 CDBDRO COc1cc(N2CC[C@H]([NH3+])C(F)(F)C2)ncc1[N+](=O)[O-] ZINC001166961155 939661642 /nfs/dbraw/zinc/66/16/42/939661642.db2.gz NCJAGGBTMCZUFV-VIFPVBQESA-N 1 0 288.254 1.171 20 5 CDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N(C)C2C[NH2+]C2)n1 ZINC001166977368 939665613 /nfs/dbraw/zinc/66/56/13/939665613.db2.gz UOGMJYQFKBDBPZ-UHFFFAOYSA-N 1 0 289.748 1.168 20 5 CDBDRO CC[C@@H](C)C[C@H]([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000400987182 940862510 /nfs/dbraw/zinc/86/25/10/940862510.db2.gz ZGDSLFKIMKIBMM-MFKMUULPSA-N 1 0 279.340 1.975 20 5 CDBDRO Nc1ccc(O[C@H]2C[NH2+]CCC[C@@H]2F)cc1[N+](=O)[O-] ZINC001217986105 941033305 /nfs/dbraw/zinc/03/33/05/941033305.db2.gz SMLKMSXNQKPGEB-CABZTGNLSA-N 1 0 269.276 1.646 20 5 CDBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1ccc(N)c([N+](=O)[O-])c1 ZINC001217995815 941034199 /nfs/dbraw/zinc/03/41/99/941034199.db2.gz NXESZQPSLVQJHU-TVQRCGJNSA-N 1 0 265.313 1.944 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@H]1CC[NH2+]C1 ZINC001218177942 941042617 /nfs/dbraw/zinc/04/26/17/941042617.db2.gz PTJYOPJEYPZQIC-VIFPVBQESA-N 1 0 266.253 1.122 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCCNC(=O)OC(C)(C)C ZINC001224332899 941744494 /nfs/dbraw/zinc/74/44/94/941744494.db2.gz XDHVTCJRQUWDBT-NSHDSACASA-O 1 0 261.386 1.622 20 5 CDBDRO COc1cc(O[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC001225436239 941858768 /nfs/dbraw/zinc/85/87/68/941858768.db2.gz PWBQOIRKCJTXNL-VIFPVBQESA-N 1 0 254.286 1.932 20 5 CDBDRO C[N@@H+]1CCC[C@@H](Oc2cccnc2[N+](=O)[O-])CC1 ZINC001225628805 941890593 /nfs/dbraw/zinc/89/05/93/941890593.db2.gz WFONQJQRTOXTJD-SNVBAGLBSA-N 1 0 251.286 1.853 20 5 CDBDRO Cc1cc(O)cc(C)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225967243 941934799 /nfs/dbraw/zinc/93/47/99/941934799.db2.gz RDHSPUYIZLFOAH-CYBMUJFWSA-O 1 0 282.360 1.372 20 5 CDBDRO COC(=O)c1ncccc1O[C@H](C)C[N+](C)(C)C ZINC001226949049 942101074 /nfs/dbraw/zinc/10/10/74/942101074.db2.gz XNDWYIRDKXYMBS-SNVBAGLBSA-N 1 0 253.322 1.342 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2N3C)n1 ZINC001227062593 942123945 /nfs/dbraw/zinc/12/39/45/942123945.db2.gz QSSXOYXLRYSEIR-ZWKOPEQDSA-N 1 0 291.307 1.481 20 5 CDBDRO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc([N+](=O)[O-])cc3)[C@H]1CC(=O)C2 ZINC001227521282 942182953 /nfs/dbraw/zinc/18/29/53/942182953.db2.gz ORVUCQHHOLFKKQ-ZLKJLUDKSA-N 1 0 276.292 1.778 20 5 CDBDRO CC[NH+]1CCC(Oc2cncc([N+](=O)[O-])c2)CC1 ZINC001227988819 942252268 /nfs/dbraw/zinc/25/22/68/942252268.db2.gz YAZBFPDTWRVNKO-UHFFFAOYSA-N 1 0 251.286 1.853 20 5 CDBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1nc[nH]c(=O)c1[N+](=O)[O-] ZINC001228142176 942274732 /nfs/dbraw/zinc/27/47/32/942274732.db2.gz ZRCKPAGASJRQLZ-JZYVYDRUSA-N 1 0 294.311 1.200 20 5 CDBDRO COC(=O)c1cc(O[C@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001228768822 942373315 /nfs/dbraw/zinc/37/33/15/942373315.db2.gz MSIVDRXXHDPTPQ-LBPRGKRZSA-N 1 0 294.307 1.854 20 5 CDBDRO C[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001228933719 942397305 /nfs/dbraw/zinc/39/73/05/942397305.db2.gz JIMYKPVDJXSWCP-ZETCQYMHSA-N 1 0 257.677 1.726 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2ncn(C)c(=O)c2c1 ZINC001233773219 943655275 /nfs/dbraw/zinc/65/52/75/943655275.db2.gz IWRHVKWNRKEHBW-NSHDSACASA-N 1 0 276.360 1.407 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1nc(=O)[nH]c2c1SCCC2 ZINC001234913728 943972131 /nfs/dbraw/zinc/97/21/31/943972131.db2.gz BXESQRYRAMSLMA-VIFPVBQESA-O 1 0 284.405 1.694 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261458994 946127565 /nfs/dbraw/zinc/12/75/65/946127565.db2.gz UAJHWFJXFVJXNT-TVQRCGJNSA-N 1 0 275.308 1.435 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@H]2CC[C@H](OC)C2)c1[N+](=O)[O-] ZINC001262365979 946613501 /nfs/dbraw/zinc/61/35/01/946613501.db2.gz QSCKJADKFILUMK-QWRGUYRKSA-N 1 0 296.323 1.966 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH3+])C1 ZINC001254538416 947516068 /nfs/dbraw/zinc/51/60/68/947516068.db2.gz UQNRSFFTGQCJKC-YPMHNXCESA-N 1 0 263.341 1.949 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCC[NH3+])C(=O)[O-] ZINC001254548932 947521004 /nfs/dbraw/zinc/52/10/04/947521004.db2.gz RSDDRDGEFZKVNO-JQWIXIFHSA-N 1 0 295.339 1.308 20 5 CDBDRO [NH3+]Cc1ccnn1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254565655 947528999 /nfs/dbraw/zinc/52/89/99/947528999.db2.gz FIHZFFWVUOATGH-ZDUSSCGKSA-N 1 0 258.281 1.590 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCn1ccnc1)C2 ZINC001254566387 947529082 /nfs/dbraw/zinc/52/90/82/947529082.db2.gz JPHIZTKOSHFQOV-CYBMUJFWSA-N 1 0 272.308 1.548 20 5 CDBDRO [NH3+]Cc1cnn([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254575106 947534579 /nfs/dbraw/zinc/53/45/79/947534579.db2.gz OEMCFNZBTCFRHO-ZDUSSCGKSA-N 1 0 258.281 1.590 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCc1cnoc1)C2 ZINC001254586508 947543307 /nfs/dbraw/zinc/54/33/07/947543307.db2.gz KTNDGMSPLUFOPI-CYBMUJFWSA-N 1 0 273.292 1.882 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1COC[C@@H]1F)C2 ZINC001254589413 947544051 /nfs/dbraw/zinc/54/40/51/947544051.db2.gz OFHBAJMEHSEOGC-WCFLWFBJSA-N 1 0 266.272 1.389 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@H](O)[C@H](F)CC1)C2 ZINC001254595474 947547872 /nfs/dbraw/zinc/54/78/72/947547872.db2.gz XONCJCBSCRLYHD-RBSFLKMASA-N 1 0 294.326 1.857 20 5 CDBDRO CN(CC[NH+](C)C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600609 947549965 /nfs/dbraw/zinc/54/99/65/947549965.db2.gz SVEUZYOXWXWHAO-AWEZNQCLSA-N 1 0 263.341 1.555 20 5 CDBDRO Cn1ncc2c1CC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254607272 947552613 /nfs/dbraw/zinc/55/26/13/947552613.db2.gz KLLZFFWRAURUNU-OAHLLOKOSA-N 1 0 298.346 1.854 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[NH2+]C1 ZINC001246358327 948130382 /nfs/dbraw/zinc/13/03/82/948130382.db2.gz ORHGKXCTLVEUMX-DGCLKSJQSA-N 1 0 263.341 1.867 20 5 CDBDRO C[C@@H]1C[NH2+][C@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001247729580 948731706 /nfs/dbraw/zinc/73/17/06/948731706.db2.gz FPSQHAVTBMBIOJ-XPUUQOCRSA-N 1 0 293.258 1.849 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001303272770 956076372 /nfs/dbraw/zinc/07/63/72/956076372.db2.gz DTGHULHSUXBTKX-NWDGAFQWSA-N 1 0 278.312 1.232 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001336906700 960726082 /nfs/dbraw/zinc/72/60/82/960726082.db2.gz GJKBGGSIUFPDAE-NXEZZACHSA-N 1 0 280.328 1.563 20 5 CDBDRO C[C@@H](CNC(=O)[C@]1(C)CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001341319917 963364669 /nfs/dbraw/zinc/36/46/69/963364669.db2.gz YRZNMMNRBCAMRP-NHYWBVRUSA-N 1 0 291.351 1.957 20 5 CDBDRO Cc1cc(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)cc([N+](=O)[O-])c1 ZINC001342897706 963852659 /nfs/dbraw/zinc/85/26/59/963852659.db2.gz LXWRDZXEOAGBOX-JSGCOSHPSA-N 1 0 275.308 1.841 20 5 CDBDRO CC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001200471815 968286564 /nfs/dbraw/zinc/28/65/64/968286564.db2.gz JMFLRTCEGHKAFX-JHZNUDOXSA-N 1 0 295.383 1.589 20 5 CDBDRO C[NH2+]CCCC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001354829775 968924695 /nfs/dbraw/zinc/92/46/95/968924695.db2.gz MGUGEYLDJDKEEO-SNVBAGLBSA-N 1 0 265.313 1.772 20 5 CDBDRO Cc1c(C(=O)O[C@@H](C)C[N+](=O)[O-])ccc2c[nH+]cn21 ZINC001518341154 970018246 /nfs/dbraw/zinc/01/82/46/970018246.db2.gz KNULSGSYKDLPCO-QMMMGPOBSA-N 1 0 263.253 1.465 20 5 CDBDRO O=C(OCC[NH+]1CCC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001519842589 970117609 /nfs/dbraw/zinc/11/76/09/970117609.db2.gz SWSMQGVZNUZGKD-UONOGXRCSA-N 1 0 290.319 1.947 20 5 CDBDRO C[C@]1(C[NH3+])CCCN(c2cccc([N+](=O)[O-])n2)C1 ZINC001158674934 1163391446 /nfs/dbraw/zinc/39/14/46/1163391446.db2.gz FVLCFJYVJUPAOH-GFCCVEGCSA-N 1 0 250.302 1.555 20 5 CDBDRO C[C@H](CNc1ccnc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000601107556 342466817 /nfs/dbraw/zinc/46/68/17/342466817.db2.gz BBLOKEXGMJHKDV-SNVBAGLBSA-N 1 0 274.324 1.927 20 5 CDBDRO COCCN(C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589494185 342507897 /nfs/dbraw/zinc/50/78/97/342507897.db2.gz HQXSITUBZFFONL-UHFFFAOYSA-N 1 0 282.296 1.460 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCN2CCOCC2)cc1 ZINC000035677736 341996779 /nfs/dbraw/zinc/99/67/79/341996779.db2.gz LCHQJNCVEVKHKN-UHFFFAOYSA-N 1 0 293.367 1.449 20 5 CDBDRO CCOC(=O)C1(C)CC([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000601272795 342548018 /nfs/dbraw/zinc/54/80/18/342548018.db2.gz LRVJNWJLMGBMEA-UHFFFAOYSA-N 1 0 296.327 1.113 20 5 CDBDRO CC(C)([NH2+]CC[C@H]1CCNC1=O)c1ccccc1[N+](=O)[O-] ZINC000565171330 365599232 /nfs/dbraw/zinc/59/92/32/365599232.db2.gz LKXYDNCSFZHADN-LLVKDONJSA-N 1 0 291.351 1.946 20 5 CDBDRO CN(Cc1c([N+](=O)[O-])ncn1C)CC1([NH+](C)C)CCC1 ZINC000332039679 361745346 /nfs/dbraw/zinc/74/53/46/361745346.db2.gz XEUYJZOMRMMVKC-UHFFFAOYSA-N 1 0 281.360 1.244 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000590567123 342576135 /nfs/dbraw/zinc/57/61/35/342576135.db2.gz XOQSUMKLBJOFDP-RKDXNWHRSA-N 1 0 267.285 1.352 20 5 CDBDRO CC1CC[NH+](C[C@@H](O)CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000067373182 342048942 /nfs/dbraw/zinc/04/89/42/342048942.db2.gz KMUPZAZNHCOBGP-ZDUSSCGKSA-N 1 0 294.355 1.495 20 5 CDBDRO [NH3+]CCCCC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000070202243 361789483 /nfs/dbraw/zinc/78/94/83/361789483.db2.gz USYINEZYCZIEBX-UHFFFAOYSA-N 1 0 251.286 1.340 20 5 CDBDRO CC[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000124895285 187160318 /nfs/dbraw/zinc/16/03/18/187160318.db2.gz COVKROFPKOYNMZ-LBPRGKRZSA-N 1 0 265.313 1.551 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000608905603 342084205 /nfs/dbraw/zinc/08/42/05/342084205.db2.gz GSDYNPHOCNAURM-NSHDSACASA-N 1 0 292.339 1.244 20 5 CDBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000609135661 342091838 /nfs/dbraw/zinc/09/18/38/342091838.db2.gz VGSDBJIJINMATR-LLVKDONJSA-N 1 0 294.355 1.536 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000591361307 342628401 /nfs/dbraw/zinc/62/84/01/342628401.db2.gz SPCURWOUZIFBBC-SECBINFHSA-N 1 0 266.301 1.083 20 5 CDBDRO COc1ccc(CN2CC[C@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000591448697 342632985 /nfs/dbraw/zinc/63/29/85/342632985.db2.gz OMQZLESXIWRGMZ-CHWSQXEVSA-N 1 0 291.351 1.787 20 5 CDBDRO O=[N+]([O-])c1cncc(Cl)c1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000310746412 342134871 /nfs/dbraw/zinc/13/48/71/342134871.db2.gz JGANOTLBTZDMQY-OCAPTIKFSA-N 1 0 268.704 1.299 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)c(F)c1 ZINC000591440779 342632278 /nfs/dbraw/zinc/63/22/78/342632278.db2.gz XPPJJHLQIZJXGV-LDYMZIIASA-N 1 0 266.276 1.317 20 5 CDBDRO CN(CCC[NH3+])C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000591678989 342641787 /nfs/dbraw/zinc/64/17/87/342641787.db2.gz MJRRIBDBKDNQGT-UHFFFAOYSA-N 1 0 265.313 1.335 20 5 CDBDRO O=C(CC[NH2+][C@H]1CCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000591756887 342643969 /nfs/dbraw/zinc/64/39/69/342643969.db2.gz AQDPVCMUESANGH-JTQLQIEISA-N 1 0 279.296 1.302 20 5 CDBDRO CO[C@H](C)CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591734232 342644596 /nfs/dbraw/zinc/64/45/96/342644596.db2.gz KTTTZJMCVGZCSO-NEPJUHHUSA-N 1 0 298.339 1.349 20 5 CDBDRO CC1(C)CC(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591762655 342644653 /nfs/dbraw/zinc/64/46/53/342644653.db2.gz PNUUKAWONNLIBL-GFCCVEGCSA-N 1 0 282.344 1.178 20 5 CDBDRO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC2(CCCC2)O1 ZINC000592191166 342674329 /nfs/dbraw/zinc/67/43/29/342674329.db2.gz AUBHTGGBWCTXBS-LBPRGKRZSA-N 1 0 294.355 1.825 20 5 CDBDRO [NH3+]C1(CC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000592230010 342680501 /nfs/dbraw/zinc/68/05/01/342680501.db2.gz LBMVTAWCKNZRBO-UHFFFAOYSA-N 1 0 289.295 1.681 20 5 CDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000592243463 342681103 /nfs/dbraw/zinc/68/11/03/342681103.db2.gz JTHQNDDJTOHLQQ-ZANVPECISA-N 1 0 293.298 1.558 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000592275917 342682990 /nfs/dbraw/zinc/68/29/90/342682990.db2.gz XFTYIPQPIIYAEG-KWQFWETISA-N 1 0 297.742 1.862 20 5 CDBDRO C[NH2+]CCCOc1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000592169602 342671844 /nfs/dbraw/zinc/67/18/44/342671844.db2.gz YXEPRRRPLBDUEB-UHFFFAOYSA-N 1 0 268.269 1.370 20 5 CDBDRO CC(C)(C)[NH2+]CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000340581334 361854297 /nfs/dbraw/zinc/85/42/97/361854297.db2.gz BFWHMJBEJPLODA-UHFFFAOYSA-N 1 0 295.339 1.478 20 5 CDBDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000593066649 342762015 /nfs/dbraw/zinc/76/20/15/342762015.db2.gz PMGIASPGJBSDPR-VXGBXAGGSA-N 1 0 266.297 1.176 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000305919862 342176042 /nfs/dbraw/zinc/17/60/42/342176042.db2.gz BKZAVVFZABHNSQ-UHFFFAOYSA-N 1 0 251.286 1.324 20 5 CDBDRO COc1ccc(C[N@H+](C)[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000593110705 342769576 /nfs/dbraw/zinc/76/95/76/342769576.db2.gz ZFWFYTWLOLXEQW-JTQLQIEISA-N 1 0 268.313 1.806 20 5 CDBDRO C[NH2+]CCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000070303790 361923326 /nfs/dbraw/zinc/92/33/26/361923326.db2.gz MUFLQZNVZRBMNQ-UHFFFAOYSA-N 1 0 252.274 1.278 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@@]2(O)CCCOC2)cs1 ZINC000593690995 342823437 /nfs/dbraw/zinc/82/34/37/342823437.db2.gz GVLGSJWQQHGXQK-LBPRGKRZSA-N 1 0 286.353 1.678 20 5 CDBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000594003743 342862398 /nfs/dbraw/zinc/86/23/98/342862398.db2.gz SIFNTKSVCKYHKT-RYUDHWBXSA-N 1 0 268.288 1.983 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000594427141 342897244 /nfs/dbraw/zinc/89/72/44/342897244.db2.gz GJOOZCPLWISFHX-ZFWWWQNUSA-N 1 0 289.335 1.601 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CO)CCF ZINC000595049121 342999347 /nfs/dbraw/zinc/99/93/47/342999347.db2.gz YBPSMZRVZRQJIY-ZJUUUORDSA-N 1 0 286.303 1.975 20 5 CDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H](O)C1 ZINC000595105069 343004634 /nfs/dbraw/zinc/00/46/34/343004634.db2.gz WQPGIGAECHEKQC-GAFUQQFSSA-N 1 0 293.323 1.425 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000595230841 343009719 /nfs/dbraw/zinc/00/97/19/343009719.db2.gz VHUDCYMQEIEZMA-QMMMGPOBSA-N 1 0 266.301 1.633 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000595275182 343021647 /nfs/dbraw/zinc/02/16/47/343021647.db2.gz IRWFLKDFSOJQBP-JTQLQIEISA-N 1 0 294.355 1.737 20 5 CDBDRO CC(C)[N@H+](CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595293210 343025761 /nfs/dbraw/zinc/02/57/61/343025761.db2.gz HNZXEQKJJKTLKP-UHFFFAOYSA-N 1 0 256.277 1.937 20 5 CDBDRO O=C1C[C@@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CN1 ZINC000595351029 343045936 /nfs/dbraw/zinc/04/59/36/343045936.db2.gz DVZBZIYFCNPAHC-GFCCVEGCSA-N 1 0 289.335 1.695 20 5 CDBDRO Cc1noc(C[N@H+]2CC[C@H](c3nccn3C)C2)c1[N+](=O)[O-] ZINC000595394645 343047362 /nfs/dbraw/zinc/04/73/62/343047362.db2.gz YHWRMKQZKDMXIU-JTQLQIEISA-N 1 0 291.311 1.614 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(N3C[C@H]4CC[C@@H](C3)[NH2+]4)nc2c1 ZINC000600963031 342336379 /nfs/dbraw/zinc/33/63/79/342336379.db2.gz QCFGPDYFVIBKPI-DTORHVGOSA-N 1 0 273.296 1.412 20 5 CDBDRO Cn1c(C(=O)NC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000457207805 365708640 /nfs/dbraw/zinc/70/86/40/365708640.db2.gz AQSMIHUPOBWCGV-UHFFFAOYSA-N 1 0 268.317 1.003 20 5 CDBDRO C[NH+](C)[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000515178589 362085558 /nfs/dbraw/zinc/08/55/58/362085558.db2.gz VBOSQUWEZHWGJS-STQMWFEESA-N 1 0 299.758 1.355 20 5 CDBDRO C[C@H]([NH2+]CCn1cncn1)c1ccc([N+](=O)[O-])cc1 ZINC000268814360 365736938 /nfs/dbraw/zinc/73/69/38/365736938.db2.gz JURBDYRTZXWOQF-JTQLQIEISA-N 1 0 261.285 1.537 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000595983989 343211414 /nfs/dbraw/zinc/21/14/14/343211414.db2.gz SPGCKGBVWYKNEE-QMMMGPOBSA-N 1 0 285.731 1.515 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000595984652 343211418 /nfs/dbraw/zinc/21/14/18/343211418.db2.gz XTJPMRJGGKWGAB-SSDOTTSWSA-N 1 0 255.249 1.072 20 5 CDBDRO O=[N+]([O-])c1cncc(Cl)c1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000596015878 343219270 /nfs/dbraw/zinc/21/92/70/343219270.db2.gz IFRQXDNESRPHQF-WPRPVWTQSA-N 1 0 282.731 1.831 20 5 CDBDRO C[C@H]([NH3+])CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000596014855 343219342 /nfs/dbraw/zinc/21/93/42/343219342.db2.gz UNHLZGZRBKMTDX-VIFPVBQESA-N 1 0 298.318 1.330 20 5 CDBDRO [NH3+][C@H]1C[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595922578 343192171 /nfs/dbraw/zinc/19/21/71/343192171.db2.gz HPTYJTWWEUKUHM-MGCOHNPYSA-N 1 0 261.281 1.221 20 5 CDBDRO O=c1[nH]ccc(N2CC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000596104644 343228226 /nfs/dbraw/zinc/22/82/26/343228226.db2.gz KCYGOSBJNMQMML-SNVBAGLBSA-N 1 0 278.312 1.370 20 5 CDBDRO O=[N+]([O-])c1cncc(Cl)c1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000596120519 343247740 /nfs/dbraw/zinc/24/77/40/343247740.db2.gz SIYYYIWRCIXKLD-SNVBAGLBSA-N 1 0 296.758 1.961 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596244293 343285898 /nfs/dbraw/zinc/28/58/98/343285898.db2.gz OAIMATXMJVTEOW-SKDRFNHKSA-N 1 0 292.339 1.223 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC(C[NH+](C)C)C1 ZINC000596246836 343286603 /nfs/dbraw/zinc/28/66/03/343286603.db2.gz IEIZAKVMQHNYMF-UHFFFAOYSA-N 1 0 267.333 1.117 20 5 CDBDRO CC(C)[C@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000596205296 343265224 /nfs/dbraw/zinc/26/52/24/343265224.db2.gz HYLZWQFQQWIDNC-LLVKDONJSA-N 1 0 280.328 1.472 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC(C[NH+](C)C)C1 ZINC000596247952 343273814 /nfs/dbraw/zinc/27/38/14/343273814.db2.gz UJGWRRPCGQLSCT-UHFFFAOYSA-N 1 0 250.302 1.296 20 5 CDBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000596236378 343282664 /nfs/dbraw/zinc/28/26/64/343282664.db2.gz IGRJBDFNLPREPP-SNVBAGLBSA-N 1 0 281.360 1.526 20 5 CDBDRO C[C@H](NC(=O)N[C@@]1(C)CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000597434038 343535829 /nfs/dbraw/zinc/53/58/29/343535829.db2.gz OBFQTUQGMQMHTE-HZMBPMFUSA-N 1 0 292.339 1.707 20 5 CDBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 ZINC000597713690 343608247 /nfs/dbraw/zinc/60/82/47/343608247.db2.gz FTKGPUKIUBXFDH-CQSZACIVSA-N 1 0 292.339 1.481 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000597696515 343614345 /nfs/dbraw/zinc/61/43/45/343614345.db2.gz BXWNQAKQWZWYIF-NOZJJQNGSA-N 1 0 295.314 1.899 20 5 CDBDRO C[NH+](C)CC(C)(C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000457224425 365791957 /nfs/dbraw/zinc/79/19/57/365791957.db2.gz REQKUOLFBIXGNQ-UHFFFAOYSA-N 1 0 279.340 1.594 20 5 CDBDRO [NH3+]CC1(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000111832111 365796722 /nfs/dbraw/zinc/79/67/22/365796722.db2.gz DKUOYGRTFSKQMT-UHFFFAOYSA-N 1 0 278.312 1.988 20 5 CDBDRO CC[N@@H+](Cc1ccoc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304343599 349831923 /nfs/dbraw/zinc/83/19/23/349831923.db2.gz ZRBXAJMTLYEKJT-CYBMUJFWSA-N 1 0 294.311 1.267 20 5 CDBDRO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000178771647 529839026 /nfs/dbraw/zinc/83/90/26/529839026.db2.gz QJZXWRNADQOXGQ-LLVKDONJSA-N 1 0 293.323 1.502 20 5 CDBDRO CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC[NH2+]1 ZINC000598569087 343831839 /nfs/dbraw/zinc/83/18/39/343831839.db2.gz ABBHNBCAIBGRLW-GFCCVEGCSA-N 1 0 293.323 1.370 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598913565 343919101 /nfs/dbraw/zinc/91/91/01/343919101.db2.gz MHYREAUTFCZCPM-SFYZADRCSA-N 1 0 284.291 1.981 20 5 CDBDRO COC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000382579786 362257351 /nfs/dbraw/zinc/25/73/51/362257351.db2.gz XGBOCNNWLOYVFO-GWCFXTLKSA-N 1 0 268.313 1.643 20 5 CDBDRO C[C@@H]1[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H]1C ZINC000262840764 362298445 /nfs/dbraw/zinc/29/84/45/362298445.db2.gz RFRNKBGSPNCRAA-YUMQZZPRSA-N 1 0 253.258 1.010 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000599084582 343950791 /nfs/dbraw/zinc/95/07/91/343950791.db2.gz UVFYYCWKRRIRDC-JZYVYDRUSA-N 1 0 282.731 1.639 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C[C@H]2C[C@@H](O)C2)n1 ZINC000599081856 343957236 /nfs/dbraw/zinc/95/72/36/343957236.db2.gz NWQGBJAICBFGRG-RNJOBUHISA-N 1 0 294.355 1.636 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)C[C@H]21 ZINC000599988570 344160594 /nfs/dbraw/zinc/16/05/94/344160594.db2.gz IORHTOAUJNJEBQ-VROVMSAKSA-N 1 0 281.337 1.288 20 5 CDBDRO CSc1ccc(C(=O)N2C[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000602596779 344503157 /nfs/dbraw/zinc/50/31/57/344503157.db2.gz QZZWUZQOLUGIHV-WCBMZHEXSA-N 1 0 295.364 1.878 20 5 CDBDRO CCN(CC[NH3+])C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000602534847 344470664 /nfs/dbraw/zinc/47/06/64/344470664.db2.gz KVTPWYNVMFZMST-UHFFFAOYSA-N 1 0 279.340 1.680 20 5 CDBDRO CCc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1[N+](=O)[O-] ZINC000602586937 344478101 /nfs/dbraw/zinc/47/81/01/344478101.db2.gz BQNFTHYAYQPHCK-RYUDHWBXSA-N 1 0 275.308 1.344 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc([N+](=O)[O-])c1 ZINC000602589295 344479095 /nfs/dbraw/zinc/47/90/95/344479095.db2.gz SYTRLBGJNFTNTF-JQWIXIFHSA-N 1 0 261.281 1.090 20 5 CDBDRO NC(=O)C1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000602595181 344502035 /nfs/dbraw/zinc/50/20/35/344502035.db2.gz XDFRTSBJZPXKSR-UHFFFAOYSA-N 1 0 291.351 1.773 20 5 CDBDRO CC(C)(O)C1C[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602688619 344532439 /nfs/dbraw/zinc/53/24/39/344532439.db2.gz MGCCMAFSLGKQQD-UHFFFAOYSA-N 1 0 264.325 1.840 20 5 CDBDRO C[N@@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000602713802 344554335 /nfs/dbraw/zinc/55/43/35/344554335.db2.gz CXDAQZVTUPIVNS-YVARQFDVSA-N 1 0 291.351 1.216 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417940631 529996455 /nfs/dbraw/zinc/99/64/55/529996455.db2.gz MAZWOWRYFOHJFI-NSHDSACASA-N 1 0 294.355 1.292 20 5 CDBDRO COC1(C)CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602806534 344615086 /nfs/dbraw/zinc/61/50/86/344615086.db2.gz VGWNMURKCMGDLK-UHFFFAOYSA-N 1 0 282.344 1.601 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000602849831 344626044 /nfs/dbraw/zinc/62/60/44/344626044.db2.gz AXYWAZDVTZXTPU-NEPJUHHUSA-N 1 0 280.328 1.211 20 5 CDBDRO C[NH2+]C(C)(C)c1cn(Cc2cccc([N+](=O)[O-])c2C)nn1 ZINC000603199960 344732289 /nfs/dbraw/zinc/73/22/89/344732289.db2.gz XEQWTUGNNYWZJS-UHFFFAOYSA-N 1 0 289.339 1.998 20 5 CDBDRO O=[N+]([O-])c1c(NC[C@H]2CSCC[NH2+]2)nc2sccn21 ZINC000603419631 344807635 /nfs/dbraw/zinc/80/76/35/344807635.db2.gz ORGQKHAXEKONKZ-ZETCQYMHSA-N 1 0 299.381 1.421 20 5 CDBDRO Cc1ccnc(NC[C@H]2CSCC[NH2+]2)c1[N+](=O)[O-] ZINC000603418586 344807674 /nfs/dbraw/zinc/80/76/74/344807674.db2.gz GVUCMLRNWWHLFF-VIFPVBQESA-N 1 0 268.342 1.415 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000604265289 344871702 /nfs/dbraw/zinc/87/17/02/344871702.db2.gz TYOQMXFNUOJUKT-UHFFFAOYSA-N 1 0 294.355 1.347 20 5 CDBDRO Cc1c(NC(=O)CC(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC000084167323 178812798 /nfs/dbraw/zinc/81/27/98/178812798.db2.gz FSVSSIYJVPXWMT-UHFFFAOYSA-N 1 0 251.286 1.969 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](O)CC1 ZINC000293072366 362522385 /nfs/dbraw/zinc/52/23/85/362522385.db2.gz JBQQCILTUQOPEU-GFCCVEGCSA-N 1 0 280.324 1.820 20 5 CDBDRO Nc1ccc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000293358610 362547643 /nfs/dbraw/zinc/54/76/43/362547643.db2.gz KHHJKEFSWOVSDC-CMPLNLGQSA-N 1 0 290.323 1.001 20 5 CDBDRO COc1cc(C[NH2+]C[C@@]2(C)CCOC2)c([N+](=O)[O-])cc1O ZINC000344374082 362575342 /nfs/dbraw/zinc/57/53/42/362575342.db2.gz UABRQQOVLBKHQD-CQSZACIVSA-N 1 0 296.323 1.825 20 5 CDBDRO C[C@@H]1CCC[N@H+](CCNc2ncc([N+](=O)[O-])cn2)C1 ZINC000273245639 192086808 /nfs/dbraw/zinc/08/68/08/192086808.db2.gz ZLGKHTGOZWRSPE-SNVBAGLBSA-N 1 0 265.317 1.529 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000129249105 345278510 /nfs/dbraw/zinc/27/85/10/345278510.db2.gz ZBRYQAWCTBZTDZ-QWRGUYRKSA-N 1 0 277.324 1.855 20 5 CDBDRO CCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000052952805 345309300 /nfs/dbraw/zinc/30/93/00/345309300.db2.gz ODDCJEVNBZGBQW-UHFFFAOYSA-N 1 0 280.328 1.527 20 5 CDBDRO Cc1c(C(=O)N[C@@]2(C)CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000230730940 345440344 /nfs/dbraw/zinc/44/03/44/345440344.db2.gz XGRJETGGWMGRID-ZDUSSCGKSA-N 1 0 263.297 1.385 20 5 CDBDRO C[NH+](C)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265901583 362624264 /nfs/dbraw/zinc/62/42/64/362624264.db2.gz ULYHAFBVSHHGIC-UHFFFAOYSA-N 1 0 279.340 1.550 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000610077523 346168193 /nfs/dbraw/zinc/16/81/93/346168193.db2.gz VCNGVZLSFDHZNI-NSHDSACASA-N 1 0 279.344 1.250 20 5 CDBDRO NC(=O)c1ccc(C[N@@H+]2C[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000610585168 346320377 /nfs/dbraw/zinc/32/03/77/346320377.db2.gz CTTGMUVAVFSGKJ-ZYHUDNBSSA-N 1 0 275.308 1.678 20 5 CDBDRO CC[N@@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])C[C@H]1C ZINC000611084729 346604362 /nfs/dbraw/zinc/60/43/62/346604362.db2.gz OQNWXUHPJSTUNF-SECBINFHSA-N 1 0 295.368 1.834 20 5 CDBDRO C[C@@]1(O)CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611275979 346733572 /nfs/dbraw/zinc/73/35/72/346733572.db2.gz CZRMRDQQLKBNIP-CQSZACIVSA-N 1 0 294.307 1.323 20 5 CDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000611299257 346741488 /nfs/dbraw/zinc/74/14/88/346741488.db2.gz ZFSAFCAQQWIGLO-DTWKUNHWSA-N 1 0 295.368 1.833 20 5 CDBDRO CC(C)OCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000612593504 347215408 /nfs/dbraw/zinc/21/54/08/347215408.db2.gz IKMCZVLWWCOIQU-UHFFFAOYSA-N 1 0 296.323 1.881 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000068473152 347564811 /nfs/dbraw/zinc/56/48/11/347564811.db2.gz OZBVEYMXVCORDO-QMMMGPOBSA-N 1 0 271.342 1.726 20 5 CDBDRO C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000086468337 179299937 /nfs/dbraw/zinc/29/99/37/179299937.db2.gz PSMLWQAEGOEAGW-GHMZBOCLSA-N 1 0 277.324 1.346 20 5 CDBDRO CC1(C)CN(Cc2csc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000614923380 348275690 /nfs/dbraw/zinc/27/56/90/348275690.db2.gz ICYCPJJNGYCJAY-UHFFFAOYSA-N 1 0 299.396 1.545 20 5 CDBDRO C[NH+]1CCN(CCNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000148472941 362921160 /nfs/dbraw/zinc/92/11/60/362921160.db2.gz HPALNQPTJOPOKY-UHFFFAOYSA-N 1 0 299.762 1.303 20 5 CDBDRO C[NH+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273382012 192132518 /nfs/dbraw/zinc/13/25/18/192132518.db2.gz INMSOBUEMBJBSA-UHFFFAOYSA-N 1 0 270.264 1.417 20 5 CDBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccsc1 ZINC000061362681 349993479 /nfs/dbraw/zinc/99/34/79/349993479.db2.gz KLRULWJESAYEPX-SKDRFNHKSA-N 1 0 296.352 1.565 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1NCCC[NH+]1CCC(O)CC1 ZINC000060378725 348475804 /nfs/dbraw/zinc/47/58/04/348475804.db2.gz IVFHUDKHNHVBLA-UHFFFAOYSA-N 1 0 297.330 1.993 20 5 CDBDRO CC(C)C[C@@H](CNc1c([N+](=O)[O-])ncn1C)[NH+](C)C ZINC000023887577 348544719 /nfs/dbraw/zinc/54/47/19/348544719.db2.gz DICROJIWVDMQBS-JTQLQIEISA-N 1 0 269.349 1.717 20 5 CDBDRO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1CO ZINC000615455832 348514236 /nfs/dbraw/zinc/51/42/36/348514236.db2.gz IRVWJSPFABWVAH-SKDRFNHKSA-N 1 0 291.307 1.939 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NCCC[NH+]1CCCCC1 ZINC000029852984 348674433 /nfs/dbraw/zinc/67/44/33/348674433.db2.gz DQIDOODZDVABRD-UHFFFAOYSA-N 1 0 267.333 1.616 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000067703491 349033782 /nfs/dbraw/zinc/03/37/82/349033782.db2.gz AYBPEKGUYMLVBJ-LBPRGKRZSA-N 1 0 289.335 1.490 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C2)nc1 ZINC000072665026 349128248 /nfs/dbraw/zinc/12/82/48/349128248.db2.gz CYCUINWRZBJZFE-YPMHNXCESA-N 1 0 292.339 1.655 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](O)C1 ZINC000074313417 349211069 /nfs/dbraw/zinc/21/10/69/349211069.db2.gz WWXBNGOHZQIDFL-LBPRGKRZSA-N 1 0 293.323 1.298 20 5 CDBDRO COC[C@@H](O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090950122 180071580 /nfs/dbraw/zinc/07/15/80/180071580.db2.gz IJPVSBLEQBAVIZ-NEPJUHHUSA-N 1 0 282.340 1.951 20 5 CDBDRO COc1cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000110652832 186310514 /nfs/dbraw/zinc/31/05/14/186310514.db2.gz ORGDCFJIDFKHEZ-JTQLQIEISA-N 1 0 293.323 1.285 20 5 CDBDRO CC[C@@H]1CCC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000068592522 351110666 /nfs/dbraw/zinc/11/06/66/351110666.db2.gz GUTABHFLJMHAAD-DYEKYZERSA-N 1 0 296.371 1.711 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1csc([N+](=O)[O-])c1 ZINC000124532984 351351093 /nfs/dbraw/zinc/35/10/93/351351093.db2.gz RAAFKFKDQVSFKK-SCZZXKLOSA-N 1 0 255.343 1.968 20 5 CDBDRO O=C(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)NC1CC1 ZINC000036782522 363027923 /nfs/dbraw/zinc/02/79/23/363027923.db2.gz LQHMXPNHWGRURM-UHFFFAOYSA-N 1 0 263.297 1.006 20 5 CDBDRO COc1cc(C(=O)NC[C@@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000156688325 351558857 /nfs/dbraw/zinc/55/88/57/351558857.db2.gz IFJICOSXVQWKQN-NSHDSACASA-N 1 0 293.323 1.475 20 5 CDBDRO CN1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000344609687 366039234 /nfs/dbraw/zinc/03/92/34/366039234.db2.gz JGDFLWQZCWWSKI-GFCCVEGCSA-N 1 0 263.297 1.305 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000454355780 252344237 /nfs/dbraw/zinc/34/42/37/252344237.db2.gz MHNDOZMKTWPTCV-SNVBAGLBSA-N 1 0 280.328 1.478 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](O)C[NH+]2CCCCC2)n1 ZINC000121337611 186966600 /nfs/dbraw/zinc/96/66/00/186966600.db2.gz OTJREOVIYWWMRH-GFCCVEGCSA-N 1 0 294.355 1.557 20 5 CDBDRO COc1ccc(NC(=O)[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000136484178 363122295 /nfs/dbraw/zinc/12/22/95/363122295.db2.gz WSUBOIXPNBZWIT-ZDUSSCGKSA-N 1 0 279.296 1.542 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135221298 187808516 /nfs/dbraw/zinc/80/85/16/187808516.db2.gz ZEVDXLGKGRUPFZ-ZDUSSCGKSA-N 1 0 277.324 1.477 20 5 CDBDRO CC(C)(CCC[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000293721553 363203464 /nfs/dbraw/zinc/20/34/64/363203464.db2.gz SGQRFXCURUUHNS-UHFFFAOYSA-N 1 0 280.328 1.424 20 5 CDBDRO CCOc1ccc([C@@H](C)[NH2+]CCO)cc1[N+](=O)[O-] ZINC000152630578 188033757 /nfs/dbraw/zinc/03/37/57/188033757.db2.gz MLVDBADVJWEMND-SECBINFHSA-N 1 0 254.286 1.636 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152741121 188040320 /nfs/dbraw/zinc/04/03/20/188040320.db2.gz FPYNCBLWFVTAMQ-UHFFFAOYSA-N 1 0 285.731 1.882 20 5 CDBDRO COc1ccc(OCC[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000152241374 188004041 /nfs/dbraw/zinc/00/40/41/188004041.db2.gz FOCCKUKZSRGLIF-JTQLQIEISA-N 1 0 282.296 1.049 20 5 CDBDRO C[C@@H]([NH3+])C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000157703681 188334003 /nfs/dbraw/zinc/33/40/03/188334003.db2.gz YLFFAFXWQSIQDR-SECBINFHSA-N 1 0 263.297 1.433 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000158294016 188368111 /nfs/dbraw/zinc/36/81/11/188368111.db2.gz MVUIUEYBIBVEMK-JTQLQIEISA-N 1 0 295.364 1.637 20 5 CDBDRO C[C@@H]([NH3+])CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000063170407 363278073 /nfs/dbraw/zinc/27/80/73/363278073.db2.gz LDCNLKJYEWXTNM-SSDOTTSWSA-N 1 0 271.704 1.715 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000573338162 363346586 /nfs/dbraw/zinc/34/65/86/363346586.db2.gz FOIZWVMHFOOLJI-UHIISALHSA-N 1 0 292.335 1.712 20 5 CDBDRO COc1ccc(C(=O)N[C@@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000295358071 199474210 /nfs/dbraw/zinc/47/42/10/199474210.db2.gz ZGOLGTFWDYKPFH-VIFPVBQESA-N 1 0 281.312 1.461 20 5 CDBDRO [NH3+][C@H](CC(F)F)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000336808355 356273088 /nfs/dbraw/zinc/27/30/88/356273088.db2.gz BQXBTMKDZHEPFO-MRVPVSSYSA-N 1 0 273.239 1.194 20 5 CDBDRO CN(CC1CC[NH+](C)CC1)c1ncc([N+](=O)[O-])cn1 ZINC000273643302 192242446 /nfs/dbraw/zinc/24/24/46/192242446.db2.gz SMIQULZEXBCOSX-UHFFFAOYSA-N 1 0 265.317 1.163 20 5 CDBDRO COc1cccc(C(=O)NCC[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000578320900 356407193 /nfs/dbraw/zinc/40/71/93/356407193.db2.gz JWEKVSSYTFHHTF-JTQLQIEISA-N 1 0 293.323 1.333 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000584061360 366258629 /nfs/dbraw/zinc/25/86/29/366258629.db2.gz JGGMDAQKXHWHJS-OLZOCXBDSA-N 1 0 280.324 1.852 20 5 CDBDRO Cc1c(CNC(=O)N2C[C@H]([NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC001579534359 1172207644 /nfs/dbraw/zinc/20/76/44/1172207644.db2.gz GNUMVOSHSJQBAJ-JOYOIKCWSA-N 1 0 292.339 1.534 20 5 CDBDRO C[NH+](C)[C@H]1CCC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000336942780 356949603 /nfs/dbraw/zinc/94/96/03/356949603.db2.gz ZOAWOMACKMJIFJ-SFYZADRCSA-N 1 0 256.331 1.946 20 5 CDBDRO Cc1cccc(C(=O)NC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000047829425 357165661 /nfs/dbraw/zinc/16/56/61/357165661.db2.gz LUBDMCWTTVGBNZ-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO CCC[N@H+](CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000048347095 357179767 /nfs/dbraw/zinc/17/97/67/357179767.db2.gz DHLDZSPMTXFTSE-UHFFFAOYSA-N 1 0 252.314 1.842 20 5 CDBDRO O=[N+]([O-])c1cccc(Cl)c1CN(CCO)CCO ZINC000107904819 357371598 /nfs/dbraw/zinc/37/15/98/357371598.db2.gz MVAWJKVMYNDXFI-UHFFFAOYSA-N 1 0 274.704 1.035 20 5 CDBDRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000181383908 357340865 /nfs/dbraw/zinc/34/08/65/357340865.db2.gz LOHWALSBRKXTRD-UGFHNGPFSA-N 1 0 294.351 1.864 20 5 CDBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000264607803 357443207 /nfs/dbraw/zinc/44/32/07/357443207.db2.gz DLNYBSHCEJVBBO-UHFFFAOYSA-N 1 0 250.302 1.522 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c(F)c1 ZINC000360763375 357683684 /nfs/dbraw/zinc/68/36/84/357683684.db2.gz JVEABCRBXUKZFS-NWDGAFQWSA-N 1 0 298.314 1.469 20 5 CDBDRO Cc1nn(CCN2CCO[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000188185206 357857422 /nfs/dbraw/zinc/85/74/22/357857422.db2.gz WSYQVSYMSQDBNG-VIFPVBQESA-N 1 0 268.317 1.129 20 5 CDBDRO C[C@@H](O)CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000072713836 357849446 /nfs/dbraw/zinc/84/94/46/357849446.db2.gz IBCRMLBLRHPHDN-MNOVXSKESA-N 1 0 295.339 1.625 20 5 CDBDRO C[C@@H]([NH2+]CCN(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294384168 199019590 /nfs/dbraw/zinc/01/95/90/199019590.db2.gz RNSJNFFGLVQIRM-SECBINFHSA-N 1 0 252.318 1.389 20 5 CDBDRO COc1cc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1O ZINC000188853784 357945127 /nfs/dbraw/zinc/94/51/27/357945127.db2.gz SOJRQIMTXZTXGJ-MWLCHTKSSA-N 1 0 296.323 1.560 20 5 CDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408122669 358164442 /nfs/dbraw/zinc/16/44/42/358164442.db2.gz YPVOEYINEIWFRB-GXFFZTMASA-N 1 0 292.339 1.622 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC2(CCC[N@@H+]2C)CC1 ZINC000408141936 358175794 /nfs/dbraw/zinc/17/57/94/358175794.db2.gz NXXGSUVQXDOHPL-UHFFFAOYSA-N 1 0 279.344 1.393 20 5 CDBDRO CN(CC1CC[NH+](C)CC1)c1ncc([N+](=O)[O-])s1 ZINC000192450726 358203457 /nfs/dbraw/zinc/20/34/57/358203457.db2.gz UIFPDDYRZFBHHT-UHFFFAOYSA-N 1 0 270.358 1.829 20 5 CDBDRO COc1cc(C[NH2+]CCCCCO)c([N+](=O)[O-])cc1OC ZINC000192902514 358248114 /nfs/dbraw/zinc/24/81/14/358248114.db2.gz FDJPKIUWDCFWDB-UHFFFAOYSA-N 1 0 298.339 1.864 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1COCCO1 ZINC000337784307 358347384 /nfs/dbraw/zinc/34/73/84/358347384.db2.gz AFYUDBMBBWQQNH-ZDUSSCGKSA-N 1 0 296.323 1.499 20 5 CDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132670323 358574804 /nfs/dbraw/zinc/57/48/04/358574804.db2.gz WSTYCWPJFHLMKC-SECBINFHSA-N 1 0 281.287 1.463 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[C@H](F)C1 ZINC000567104924 358629319 /nfs/dbraw/zinc/62/93/19/358629319.db2.gz FVZQYCYUZFYLQW-QJPTWQEYSA-N 1 0 298.314 1.815 20 5 CDBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000264921059 358767678 /nfs/dbraw/zinc/76/76/78/358767678.db2.gz MHLYDWOFTAHHKV-LBPRGKRZSA-N 1 0 278.356 1.643 20 5 CDBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000538427929 358859061 /nfs/dbraw/zinc/85/90/61/358859061.db2.gz CJAVYJOYZNAETD-VIFPVBQESA-N 1 0 272.326 1.118 20 5 CDBDRO CSc1ccc(C(=O)N[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000159216940 358840531 /nfs/dbraw/zinc/84/05/31/358840531.db2.gz AIXDQXGNULLTPO-SNVBAGLBSA-N 1 0 295.364 1.784 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[NH+](C)C ZINC000119933387 359044610 /nfs/dbraw/zinc/04/46/10/359044610.db2.gz PRDIPWULADJTHY-UHFFFAOYSA-N 1 0 280.328 1.895 20 5 CDBDRO Cc1ccc([C@@H](C)NC[C@H](O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000305162823 359050547 /nfs/dbraw/zinc/05/05/47/359050547.db2.gz XLIPCNMVONFRTM-YPMHNXCESA-N 1 0 281.356 1.476 20 5 CDBDRO Cc1cc(NCCC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000338341610 359120542 /nfs/dbraw/zinc/12/05/42/359120542.db2.gz HETAYEQCGUECSZ-UHFFFAOYSA-N 1 0 292.383 1.953 20 5 CDBDRO CN1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1=O ZINC000338950727 359238461 /nfs/dbraw/zinc/23/84/61/359238461.db2.gz DYSHXEOQEOEQNM-TXNVCOODSA-N 1 0 275.308 1.428 20 5 CDBDRO CCCNC(=O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569501559 359245415 /nfs/dbraw/zinc/24/54/15/359245415.db2.gz HUNRPPGPVDEBQK-GFCCVEGCSA-N 1 0 277.324 1.698 20 5 CDBDRO O=[N+]([O-])c1ccccc1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000050015762 359276128 /nfs/dbraw/zinc/27/61/28/359276128.db2.gz KSPLQOZBCUPTII-CYBMUJFWSA-N 1 0 279.340 1.141 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000113455544 359404145 /nfs/dbraw/zinc/40/41/45/359404145.db2.gz ISCMYQPJTBKWME-LBPRGKRZSA-N 1 0 291.351 1.547 20 5 CDBDRO C[NH2+][C@@H](C)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000571461665 359577058 /nfs/dbraw/zinc/57/70/58/359577058.db2.gz MGFUPXCASUXMMS-JTQLQIEISA-N 1 0 277.324 1.694 20 5 CDBDRO Cc1cn[nH]c1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000289638473 359657276 /nfs/dbraw/zinc/65/72/76/359657276.db2.gz XLAMLZBINJZTHW-UHFFFAOYSA-N 1 0 260.297 1.959 20 5 CDBDRO C[NH2+]CC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000063166342 283503552 /nfs/dbraw/zinc/50/35/52/283503552.db2.gz HNAJHEUSEGJURG-UHFFFAOYSA-N 1 0 250.302 1.426 20 5 CDBDRO O=[N+]([O-])c1cnc2c(c1)CN(C[C@@H]1CCCC[C@@H]1O)CC2 ZINC000572164315 359949377 /nfs/dbraw/zinc/94/93/77/359949377.db2.gz ZTODOXKWBVINPA-NHYWBVRUSA-N 1 0 291.351 1.899 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2scnc2C2CC2)c1 ZINC000487331583 359960425 /nfs/dbraw/zinc/96/04/25/359960425.db2.gz XVQQGEDIEIDKGN-UHFFFAOYSA-N 1 0 293.352 1.915 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000135882045 360138812 /nfs/dbraw/zinc/13/88/12/360138812.db2.gz XUDOBFSPWCYINA-PWSUYJOCSA-N 1 0 277.324 1.333 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000177682732 189063484 /nfs/dbraw/zinc/06/34/84/189063484.db2.gz ZCJWWEBKQQCSTF-UHFFFAOYSA-N 1 0 285.731 1.882 20 5 CDBDRO COCC[NH2+]CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000162840729 360532798 /nfs/dbraw/zinc/53/27/98/360532798.db2.gz DTYXBQCWJMCZCZ-NSHDSACASA-N 1 0 295.339 1.316 20 5 CDBDRO CC[NH+](CC)CCOCCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000348156891 360532985 /nfs/dbraw/zinc/53/29/85/360532985.db2.gz JBGMOWAPJDAJED-UHFFFAOYSA-N 1 0 298.343 1.011 20 5 CDBDRO C[C@@]1(O)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000178020205 189086156 /nfs/dbraw/zinc/08/61/56/189086156.db2.gz XZOXXOWUVFQLQL-CYBMUJFWSA-N 1 0 266.297 1.430 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000178557436 189126515 /nfs/dbraw/zinc/12/65/15/189126515.db2.gz LBMPCMHOLXLSHX-VIFPVBQESA-N 1 0 295.364 1.738 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H](C)[NH3+])c1 ZINC000178661948 189135490 /nfs/dbraw/zinc/13/54/90/189135490.db2.gz HMGYDCUQSGPVFQ-MRVPVSSYSA-N 1 0 283.353 1.784 20 5 CDBDRO CSc1ccc(C(=O)NC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000178765431 189144183 /nfs/dbraw/zinc/14/41/83/189144183.db2.gz RGJAHJNYUUFOFA-JTQLQIEISA-N 1 0 295.364 1.799 20 5 CDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CCOCC1 ZINC000179840130 189223708 /nfs/dbraw/zinc/22/37/08/189223708.db2.gz AFPLYSSDMMMVEP-LLVKDONJSA-N 1 0 295.339 1.161 20 5 CDBDRO C[C@H]([NH2+]CC(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000180442218 189255330 /nfs/dbraw/zinc/25/53/30/189255330.db2.gz AEOCTQGFJZALCX-NSHDSACASA-N 1 0 293.323 1.104 20 5 CDBDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840888909 781936967 /nfs/dbraw/zinc/93/69/67/781936967.db2.gz DYXZJDWOFLCVFH-NXEZZACHSA-N 1 0 294.355 1.741 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000168400689 361185503 /nfs/dbraw/zinc/18/55/03/361185503.db2.gz LSBOADPEWUXZLL-WDEREUQCSA-N 1 0 280.324 1.806 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000070075954 361238777 /nfs/dbraw/zinc/23/87/77/361238777.db2.gz GOLWEDCHKQFWOL-PKRZQGHMSA-N 1 0 289.335 1.817 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000133012332 283658442 /nfs/dbraw/zinc/65/84/42/283658442.db2.gz WMJFHYWZBCFUBT-SNVBAGLBSA-N 1 0 293.323 1.427 20 5 CDBDRO C[C@](C[NH3+])(NCc1cccnc1[N+](=O)[O-])C1CC1 ZINC000886830093 781941948 /nfs/dbraw/zinc/94/19/48/781941948.db2.gz MAEIUGSUTDCIDB-GFCCVEGCSA-N 1 0 250.302 1.207 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(OCCO)CC2)cc1 ZINC000168897157 361575398 /nfs/dbraw/zinc/57/53/98/361575398.db2.gz XNEMFJWRRWFSMH-UHFFFAOYSA-N 1 0 280.324 1.568 20 5 CDBDRO O=[N+]([O-])c1cnc2ccc(NCC[NH+]3CCCCC3)nn21 ZINC000301948260 201272103 /nfs/dbraw/zinc/27/21/03/201272103.db2.gz YLYQKMUAEPSYGU-UHFFFAOYSA-N 1 0 290.327 1.535 20 5 CDBDRO C[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000267936903 363913094 /nfs/dbraw/zinc/91/30/94/363913094.db2.gz HTDCYTZDHFCVCT-NSHDSACASA-N 1 0 279.340 1.594 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000580556481 363923003 /nfs/dbraw/zinc/92/30/03/363923003.db2.gz SMKSOTCYDLKMLU-LLVKDONJSA-N 1 0 291.351 1.941 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1NC1C[NH2+]C1 ZINC000582295215 364082960 /nfs/dbraw/zinc/08/29/60/364082960.db2.gz GQBVBRAIBZYDBN-RISCZKNCSA-N 1 0 275.352 1.867 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1C ZINC000345889769 364753275 /nfs/dbraw/zinc/75/32/75/364753275.db2.gz XTUKMFIMDQLRJM-NXEZZACHSA-N 1 0 280.328 1.478 20 5 CDBDRO COc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000340936957 364867267 /nfs/dbraw/zinc/86/72/67/364867267.db2.gz UMZSJUCIVSUOCR-KOLCDFICSA-N 1 0 266.297 1.559 20 5 CDBDRO C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000249580466 364922340 /nfs/dbraw/zinc/92/23/40/364922340.db2.gz QUWBARQIJYXUEM-BXUZGUMPSA-N 1 0 291.351 1.723 20 5 CDBDRO C[C@@H](O)C[NH+]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000275417289 193029139 /nfs/dbraw/zinc/02/91/39/193029139.db2.gz FLEMHRKUOJUGJE-CHWSQXEVSA-N 1 0 293.367 1.654 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270476422 366887593 /nfs/dbraw/zinc/88/75/93/366887593.db2.gz HZHDHZDHJVZUBB-UHFFFAOYSA-N 1 0 294.355 1.340 20 5 CDBDRO CC(C)([NH3+])CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000122283481 366965889 /nfs/dbraw/zinc/96/58/89/366965889.db2.gz GNFWARLVNDBFSR-VOTSOKGWSA-N 1 0 263.297 1.462 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH3+])C1 ZINC000414653905 241304377 /nfs/dbraw/zinc/30/43/77/241304377.db2.gz IPLULOIQEOWDQD-QMMMGPOBSA-N 1 0 280.284 1.168 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000094340430 367011713 /nfs/dbraw/zinc/01/17/13/367011713.db2.gz IYCPWIYDFCYMLS-GXSJLCMTSA-N 1 0 263.297 1.404 20 5 CDBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000094340641 367112023 /nfs/dbraw/zinc/11/20/23/367112023.db2.gz FRUCEGZOGLQZCA-JOYOIKCWSA-N 1 0 278.312 1.796 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000312151579 367147320 /nfs/dbraw/zinc/14/73/20/367147320.db2.gz AULSWVZQVMIQDQ-HJWRWDBZSA-N 1 0 277.324 1.676 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000415494128 241703268 /nfs/dbraw/zinc/70/32/68/241703268.db2.gz DTQHKFVCDUDGAV-VIFPVBQESA-N 1 0 294.311 1.429 20 5 CDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000272201755 367312101 /nfs/dbraw/zinc/31/21/01/367312101.db2.gz GOAUOHDCVATSDI-RKDXNWHRSA-N 1 0 295.343 1.080 20 5 CDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000090537959 367572708 /nfs/dbraw/zinc/57/27/08/367572708.db2.gz UGPCEPPCXSGLBT-JTQLQIEISA-N 1 0 268.317 1.196 20 5 CDBDRO C[C@@H](NC(=O)N1CC[C@@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417128347 242329997 /nfs/dbraw/zinc/32/99/97/242329997.db2.gz IFEGHJLGNRGDLP-MNOVXSKESA-N 1 0 292.339 1.646 20 5 CDBDRO C[C@@H](O)[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000272634750 367785844 /nfs/dbraw/zinc/78/58/44/367785844.db2.gz WTSZOZJRJNGILX-VXGBXAGGSA-N 1 0 280.324 1.676 20 5 CDBDRO COc1ccc(CN(C)C2(C[NH3+])CCC2)cc1[N+](=O)[O-] ZINC000385105452 368031920 /nfs/dbraw/zinc/03/19/20/368031920.db2.gz BVDGXHFTAPYMOO-UHFFFAOYSA-N 1 0 279.340 1.917 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000275962798 284028079 /nfs/dbraw/zinc/02/80/79/284028079.db2.gz MLQGYFRDLNNXER-SNVBAGLBSA-N 1 0 289.291 1.823 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[NH2+]C1 ZINC000414863734 370917123 /nfs/dbraw/zinc/91/71/23/370917123.db2.gz IWJBIISDZUSFEN-LBPRGKRZSA-N 1 0 279.340 1.835 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000089091409 368860554 /nfs/dbraw/zinc/86/05/54/368860554.db2.gz LGYWRXDGXSMOCM-GXFFZTMASA-N 1 0 277.324 1.760 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420290205 244031053 /nfs/dbraw/zinc/03/10/53/244031053.db2.gz LOCNYLXXQPEAPL-ZDUSSCGKSA-N 1 0 292.339 1.347 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000170802734 369273517 /nfs/dbraw/zinc/27/35/17/369273517.db2.gz CQCKPWLWJYRMOU-LLVKDONJSA-N 1 0 292.339 1.464 20 5 CDBDRO O=c1c(Cl)cc([N+](=O)[O-])cn1CCC[NH+]1CCCC1 ZINC000276372015 193305339 /nfs/dbraw/zinc/30/53/39/193305339.db2.gz QZDIYVJFAKRKQV-UHFFFAOYSA-N 1 0 285.731 1.896 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000295227644 369718784 /nfs/dbraw/zinc/71/87/84/369718784.db2.gz NMCNXWQVXJBTIX-QMMMGPOBSA-N 1 0 296.283 1.360 20 5 CDBDRO CC[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766541 370079344 /nfs/dbraw/zinc/07/93/44/370079344.db2.gz QNTLMENDYYIIBQ-KWQFWETISA-N 1 0 251.286 1.509 20 5 CDBDRO CCC[C@H]([NH3+])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766539 370079470 /nfs/dbraw/zinc/07/94/70/370079470.db2.gz YXMFVAFOOVEBCS-SKDRFNHKSA-N 1 0 265.313 1.899 20 5 CDBDRO C[N@H+](CCNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000299287019 370272313 /nfs/dbraw/zinc/27/23/13/370272313.db2.gz XOGVQZNYACPHHR-UHFFFAOYSA-N 1 0 278.312 1.811 20 5 CDBDRO COc1cc(CNC[C@@H]([NH3+])C2CC2)c([N+](=O)[O-])cc1OC ZINC000414901500 371072386 /nfs/dbraw/zinc/07/23/86/371072386.db2.gz XCOLAZLRBOHJLB-LLVKDONJSA-N 1 0 295.339 1.439 20 5 CDBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000332009044 204385217 /nfs/dbraw/zinc/38/52/17/204385217.db2.gz REMGHCYJIAFOQM-NXEZZACHSA-N 1 0 293.327 1.017 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000277543013 193686671 /nfs/dbraw/zinc/68/66/71/193686671.db2.gz XDFYYPHTWIGBMQ-IDDPWSFUSA-N 1 0 289.335 1.817 20 5 CDBDRO CC[NH+](CC)[C@@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000332670081 204878348 /nfs/dbraw/zinc/87/83/48/204878348.db2.gz QQVAWBPNJHWAEL-LLVKDONJSA-N 1 0 281.360 1.244 20 5 CDBDRO COc1cccc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c1[N+](=O)[O-] ZINC000423440654 245821544 /nfs/dbraw/zinc/82/15/44/245821544.db2.gz AUHOBYBNQAKHRI-VHSXEESVSA-N 1 0 293.323 1.413 20 5 CDBDRO C[NH+](C)CCCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000027551158 373752615 /nfs/dbraw/zinc/75/26/15/373752615.db2.gz SUSPKJUHRBWECX-UHFFFAOYSA-N 1 0 275.312 1.902 20 5 CDBDRO CCc1nn(C)c(NCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000091562105 374040506 /nfs/dbraw/zinc/04/05/06/374040506.db2.gz VPRUWIWYEUACTF-UHFFFAOYSA-N 1 0 281.360 1.789 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417767972 374253001 /nfs/dbraw/zinc/25/30/01/374253001.db2.gz RFPWKRQKNOQOQC-SNVBAGLBSA-N 1 0 280.328 1.174 20 5 CDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccccc1[N+](=O)[O-] ZINC000225344734 374242792 /nfs/dbraw/zinc/24/27/92/374242792.db2.gz PPSLBEMMTBBEBV-NSHDSACASA-N 1 0 264.329 1.253 20 5 CDBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000027758872 374293428 /nfs/dbraw/zinc/29/34/28/374293428.db2.gz YCPXTFIPRRBAEX-LLVKDONJSA-N 1 0 294.355 1.538 20 5 CDBDRO Nc1c(C(=O)N[C@@H]2CCC[NH2+]CC2)cc(F)cc1[N+](=O)[O-] ZINC000368723893 374325695 /nfs/dbraw/zinc/32/56/95/374325695.db2.gz GXIQXOULAKKFSQ-SECBINFHSA-N 1 0 296.302 1.188 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1 ZINC000369681524 374361849 /nfs/dbraw/zinc/36/18/49/374361849.db2.gz MTEFCSOCCYAMGZ-CHWSQXEVSA-N 1 0 294.355 1.732 20 5 CDBDRO [NH3+]CC1(CC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000423832766 246128071 /nfs/dbraw/zinc/12/80/71/246128071.db2.gz AJUDIGPCPXXHSB-UHFFFAOYSA-N 1 0 297.742 1.993 20 5 CDBDRO CN(CC[NH3+])C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000424018876 374399316 /nfs/dbraw/zinc/39/93/16/374399316.db2.gz JFHCXNLHDDXXRS-UHFFFAOYSA-N 1 0 292.339 1.226 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000347178354 374413854 /nfs/dbraw/zinc/41/38/54/374413854.db2.gz SOGOXUSEDZJHDF-PYEVWLCESA-N 1 0 261.325 1.889 20 5 CDBDRO CC(C)[C@H]1C[N@H+](C)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000425488483 374441356 /nfs/dbraw/zinc/44/13/56/374441356.db2.gz XAPFCLJBNQVCEV-GFCCVEGCSA-N 1 0 281.360 1.063 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H](C)O)CC1 ZINC000275037612 374687881 /nfs/dbraw/zinc/68/78/81/374687881.db2.gz FLEMHRKUOJUGJE-QWHCGFSZSA-N 1 0 293.367 1.654 20 5 CDBDRO COCC[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000095081687 374867129 /nfs/dbraw/zinc/86/71/29/374867129.db2.gz UKKFAWWVLBNZFR-UHFFFAOYSA-N 1 0 267.285 1.078 20 5 CDBDRO CC1(C)C[C@@H]([NH2+]CCO)c2cc([N+](=O)[O-])ccc21 ZINC000279089959 374873359 /nfs/dbraw/zinc/87/33/59/374873359.db2.gz NHDJODHSXQUBNS-GFCCVEGCSA-N 1 0 250.298 1.899 20 5 CDBDRO COc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000019998308 374834825 /nfs/dbraw/zinc/83/48/25/374834825.db2.gz HMZMQNHLXSDFNG-NSHDSACASA-N 1 0 266.297 1.872 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H]3CCOC3)C2)nc1 ZINC000331422511 374950215 /nfs/dbraw/zinc/95/02/15/374950215.db2.gz LCGKAYOYEWLTFN-VXGBXAGGSA-N 1 0 292.339 1.513 20 5 CDBDRO CCC(=O)c1ccc(NC[C@](C)([NH3+])COC)c([N+](=O)[O-])c1 ZINC000280838286 375027138 /nfs/dbraw/zinc/02/71/38/375027138.db2.gz ZWDJCYZJDHKSCB-AWEZNQCLSA-N 1 0 295.339 1.963 20 5 CDBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000332696557 375045614 /nfs/dbraw/zinc/04/56/14/375045614.db2.gz WJWITNAAXZTPBC-VIFPVBQESA-N 1 0 266.301 1.089 20 5 CDBDRO CSCC[C@@H]([NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000131103875 375168481 /nfs/dbraw/zinc/16/84/81/375168481.db2.gz YAXNIYILJIXMEX-GFCCVEGCSA-N 1 0 297.380 1.334 20 5 CDBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000352112617 375353738 /nfs/dbraw/zinc/35/37/38/375353738.db2.gz UZNCLDSJTZYGLE-AWEZNQCLSA-N 1 0 295.339 1.027 20 5 CDBDRO CC[C@H](CNc1ncc([N+](=O)[O-])c(C)n1)[NH+]1CCCC1 ZINC000296285747 375408283 /nfs/dbraw/zinc/40/82/83/375408283.db2.gz HMTYKYSGVICQDJ-LLVKDONJSA-N 1 0 279.344 1.980 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCCCCO ZINC000227119883 375446829 /nfs/dbraw/zinc/44/68/29/375446829.db2.gz PRYXEOLVYQUQLY-UHFFFAOYSA-N 1 0 270.333 1.194 20 5 CDBDRO CC[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)C(N)=O ZINC000352784109 375539294 /nfs/dbraw/zinc/53/92/94/375539294.db2.gz NCENTBRNYQCWEP-CYBMUJFWSA-N 1 0 281.312 1.347 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCOCCO ZINC000227332655 375504046 /nfs/dbraw/zinc/50/40/46/375504046.db2.gz YVSZAYANEMMLJP-UHFFFAOYSA-N 1 0 254.286 1.083 20 5 CDBDRO COC[C@H](C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)OC ZINC000227705074 375595530 /nfs/dbraw/zinc/59/55/30/375595530.db2.gz IDBHANZVPRNEIH-NSHDSACASA-N 1 0 284.312 1.354 20 5 CDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132670074 375559016 /nfs/dbraw/zinc/55/90/16/375559016.db2.gz WSTYCWPJFHLMKC-VIFPVBQESA-N 1 0 281.287 1.463 20 5 CDBDRO COc1cc(C[NH2+]CCN2CCC2)c([N+](=O)[O-])cc1O ZINC000344875914 375626031 /nfs/dbraw/zinc/62/60/31/375626031.db2.gz BTPUYHWCKPXPFI-UHFFFAOYSA-N 1 0 281.312 1.104 20 5 CDBDRO [NH3+]CC[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(F)F ZINC000383463524 375891117 /nfs/dbraw/zinc/89/11/17/375891117.db2.gz KFVQWWQIWJDOLM-GQOHGMTASA-N 1 0 299.277 1.707 20 5 CDBDRO CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CCC[N@H+](C)C1 ZINC000357403924 375905204 /nfs/dbraw/zinc/90/52/04/375905204.db2.gz WBGIZLQNOMDCMX-SECBINFHSA-N 1 0 266.301 1.089 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000428965130 247389219 /nfs/dbraw/zinc/38/92/19/247389219.db2.gz QFNBCYCSXSYWIN-ONGXEEELSA-N 1 0 292.339 1.416 20 5 CDBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000358309623 375960133 /nfs/dbraw/zinc/96/01/33/375960133.db2.gz PYBFIBSEZCKCKJ-NSHDSACASA-N 1 0 297.359 1.028 20 5 CDBDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000219065108 375944410 /nfs/dbraw/zinc/94/44/10/375944410.db2.gz IQPAOXVUQXKRPY-BXKDBHETSA-N 1 0 270.354 1.797 20 5 CDBDRO C[NH2+][C@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430592903 247660095 /nfs/dbraw/zinc/66/00/95/247660095.db2.gz NUWDDYSKLJMDOD-JQWIXIFHSA-N 1 0 292.339 1.216 20 5 CDBDRO C[C@H]([NH2+]C1CC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000296485781 376303545 /nfs/dbraw/zinc/30/35/45/376303545.db2.gz QGNBTCMFZJDQGE-JTQLQIEISA-N 1 0 277.324 1.394 20 5 CDBDRO C[C@H]([NH3+])CCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000434695225 248128710 /nfs/dbraw/zinc/12/87/10/248128710.db2.gz YCFCJKYJCHKGNC-JTQLQIEISA-N 1 0 277.324 1.607 20 5 CDBDRO Cc1cccc(C(=O)NCC2=CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000189293836 377226661 /nfs/dbraw/zinc/22/66/61/377226661.db2.gz VMJLLNVEPHXYED-UHFFFAOYSA-N 1 0 275.308 1.553 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000189307240 377229527 /nfs/dbraw/zinc/22/95/27/377229527.db2.gz RFSTZBHJZDSMNS-ZWNOBZJWSA-N 1 0 277.324 1.394 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC([NH2+]C2CC2)CC1 ZINC000269896413 377491970 /nfs/dbraw/zinc/49/19/70/377491970.db2.gz XWTMFDMYNMFOGI-UHFFFAOYSA-N 1 0 265.317 1.049 20 5 CDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)C[NH+](C)C ZINC000294320416 377499901 /nfs/dbraw/zinc/49/99/01/377499901.db2.gz SHEOEJNZGHYSKH-SECBINFHSA-N 1 0 283.303 1.661 20 5 CDBDRO COCC[N@@H+]1CC[C@H](Nc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000266844428 377560179 /nfs/dbraw/zinc/56/01/79/377560179.db2.gz OGMINWNVMHCFDO-NSHDSACASA-N 1 0 280.328 1.431 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000347678233 377687073 /nfs/dbraw/zinc/68/70/73/377687073.db2.gz XJIRPTNAXZDHSE-BDAKNGLRSA-N 1 0 283.353 1.539 20 5 CDBDRO CC(C)C[NH+](CC(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075622413 377849661 /nfs/dbraw/zinc/84/96/61/377849661.db2.gz ZAHWHKVBVYFGLB-CQSZACIVSA-N 1 0 298.387 1.766 20 5 CDBDRO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C)C1 ZINC000173306796 378123221 /nfs/dbraw/zinc/12/32/21/378123221.db2.gz SAOXFUBZTSJZEE-CQSZACIVSA-N 1 0 291.351 1.690 20 5 CDBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445173920 250211741 /nfs/dbraw/zinc/21/17/41/250211741.db2.gz QKYMCFOKSPOTGW-VIFPVBQESA-N 1 0 296.327 1.156 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCOCC[NH+](C)C ZINC000446292967 250283797 /nfs/dbraw/zinc/28/37/97/250283797.db2.gz LHPZYMJZFWWNAL-UHFFFAOYSA-N 1 0 295.339 1.211 20 5 CDBDRO C[C@H](CCO)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447527918 250381853 /nfs/dbraw/zinc/38/18/53/250381853.db2.gz HJPGKTOKNLUKES-JHJVBQTASA-N 1 0 296.371 1.883 20 5 CDBDRO C[NH+]1CCC(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174712647 379556106 /nfs/dbraw/zinc/55/61/06/379556106.db2.gz TVDVOJYQYBEQMS-UHFFFAOYSA-N 1 0 277.324 1.553 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCn1ccnn1 ZINC000449239847 250758564 /nfs/dbraw/zinc/75/85/64/250758564.db2.gz LJPZXDJEADCMRN-GFCCVEGCSA-N 1 0 289.339 1.797 20 5 CDBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CCN1CCNC1=O ZINC000288563487 197113205 /nfs/dbraw/zinc/11/32/05/197113205.db2.gz AEVVMXGMQOTHPA-UHFFFAOYSA-N 1 0 292.339 1.094 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000449707164 250978301 /nfs/dbraw/zinc/97/83/01/250978301.db2.gz CVLJZJIZUPOOAE-QWRGUYRKSA-N 1 0 293.323 1.217 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)CN(C)C ZINC000453098628 252268219 /nfs/dbraw/zinc/26/82/19/252268219.db2.gz JQSQEHCICIHLGB-WCQYABFASA-N 1 0 281.356 1.038 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417936879 533032929 /nfs/dbraw/zinc/03/29/29/533032929.db2.gz HZYHRNSYQICWMB-LBPRGKRZSA-N 1 0 292.339 1.141 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491881714 253111216 /nfs/dbraw/zinc/11/12/16/253111216.db2.gz BPVMKXPEYFQQFB-DEBLGDTFSA-N 1 0 289.335 1.818 20 5 CDBDRO CCOc1cc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000492720220 253280465 /nfs/dbraw/zinc/28/04/65/253280465.db2.gz HJHGRYWNMGTCMQ-MFKMUULPSA-N 1 0 280.324 1.806 20 5 CDBDRO COc1cc(C[NH2+][C@H]2CC[C@H](O)CC2)c([N+](=O)[O-])cc1O ZINC000513504617 254116470 /nfs/dbraw/zinc/11/64/70/254116470.db2.gz DSZJRJDOAJDCFN-XYPYZODXSA-N 1 0 296.323 1.702 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H](CO)C[NH+]2CCCCC2)cc1 ZINC000288832417 197175913 /nfs/dbraw/zinc/17/59/13/197175913.db2.gz BUEBUHONVSMRMV-CYBMUJFWSA-N 1 0 279.340 1.854 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)CC[NH+](C)C ZINC000288787396 197166026 /nfs/dbraw/zinc/16/60/26/197166026.db2.gz FPRDADGQWXKUJS-UHFFFAOYSA-N 1 0 255.322 1.117 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[NH+](C)C ZINC000281233154 195159341 /nfs/dbraw/zinc/15/93/41/195159341.db2.gz SHICJOUIHTXPKB-UHFFFAOYSA-N 1 0 281.312 1.285 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)C[NH2+]C ZINC000336791837 390198819 /nfs/dbraw/zinc/19/88/19/390198819.db2.gz PGGGRVIIOFABEU-QMMMGPOBSA-N 1 0 255.322 1.387 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cn2)C1 ZINC000450951436 390584213 /nfs/dbraw/zinc/58/42/13/390584213.db2.gz PQGHJLQEGUDEAS-GFCCVEGCSA-N 1 0 264.329 1.909 20 5 CDBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000358307690 390554374 /nfs/dbraw/zinc/55/43/74/390554374.db2.gz ITMJNJMCVHKYLM-JTQLQIEISA-N 1 0 297.359 1.179 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261746666 390637898 /nfs/dbraw/zinc/63/78/98/390637898.db2.gz SQTYKNYNEMGGLU-NWDGAFQWSA-N 1 0 289.335 1.727 20 5 CDBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)[C@@H](C)C[NH2+]1 ZINC000235659248 390906005 /nfs/dbraw/zinc/90/60/05/390906005.db2.gz BYBJJHRLYRUXBD-YUMQZZPRSA-N 1 0 270.720 1.830 20 5 CDBDRO C[NH+](C)CC(C)(C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000411094292 390965808 /nfs/dbraw/zinc/96/58/08/390965808.db2.gz FZMKBQCQJXYOSP-UHFFFAOYSA-N 1 0 265.313 1.665 20 5 CDBDRO O=[N+]([O-])c1ccc(CNC[C@H]2C[NH2+]CCCO2)c(Cl)c1 ZINC000415032116 391247979 /nfs/dbraw/zinc/24/79/79/391247979.db2.gz FNVNYVWGSJFYHJ-GFCCVEGCSA-N 1 0 299.758 1.716 20 5 CDBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2C[NH2+]CCCO2)c(F)c1 ZINC000415042554 391249694 /nfs/dbraw/zinc/24/96/94/391249694.db2.gz QQTMQQQKASQOSS-LBPRGKRZSA-N 1 0 283.303 1.202 20 5 CDBDRO CCC[C@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000236810510 391272413 /nfs/dbraw/zinc/27/24/13/391272413.db2.gz GIQIGFJRBGEKFP-NSHDSACASA-N 1 0 263.297 1.611 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000268294142 391313127 /nfs/dbraw/zinc/31/31/27/391313127.db2.gz ZXTAGFUTIVEWGF-LDYMZIIASA-N 1 0 278.312 1.135 20 5 CDBDRO CN1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000344606353 391354562 /nfs/dbraw/zinc/35/45/62/391354562.db2.gz UXROOOLOQBWILG-LBPRGKRZSA-N 1 0 263.297 1.305 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)CC[NH3+] ZINC000415510187 391468307 /nfs/dbraw/zinc/46/83/07/391468307.db2.gz YJBMUNUBSFPPBD-SECBINFHSA-N 1 0 266.301 1.762 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415629041 391469716 /nfs/dbraw/zinc/46/97/16/391469716.db2.gz HLWDNTRWNLTURG-LLVKDONJSA-N 1 0 296.302 1.950 20 5 CDBDRO C[C@](C[NH3+])(NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000415637124 391470203 /nfs/dbraw/zinc/47/02/03/391470203.db2.gz YWXQWRLLLUHUNR-CYBMUJFWSA-N 1 0 296.302 1.983 20 5 CDBDRO COc1ccc(CNC[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000291693937 533670406 /nfs/dbraw/zinc/67/04/06/533670406.db2.gz JKLMWTHTIOYKLM-NSHDSACASA-N 1 0 281.356 1.891 20 5 CDBDRO CO[C@@]1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCOC1 ZINC000449246464 391648875 /nfs/dbraw/zinc/64/88/75/391648875.db2.gz DJHYTYZLJCYHMQ-IUODEOHRSA-N 1 0 294.351 1.921 20 5 CDBDRO [NH3+][C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000237991124 391722254 /nfs/dbraw/zinc/72/22/54/391722254.db2.gz WNCYWXSAAVSUCH-LBPRGKRZSA-N 1 0 297.742 1.644 20 5 CDBDRO CC(C)[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304289358 130065447 /nfs/dbraw/zinc/06/54/47/130065447.db2.gz BQTXWKJPFQREOY-KGLIPLIRSA-N 1 0 296.371 1.663 20 5 CDBDRO C[C@H](O)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000190829294 130151844 /nfs/dbraw/zinc/15/18/44/130151844.db2.gz IGXFVMYHOGTDQG-RYUDHWBXSA-N 1 0 298.339 1.037 20 5 CDBDRO C[NH+](C)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000416309696 391985094 /nfs/dbraw/zinc/98/50/94/391985094.db2.gz WNWQARWWDATEQL-UHFFFAOYSA-N 1 0 295.314 1.487 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)c1[N+](=O)[O-] ZINC000193531208 130630960 /nfs/dbraw/zinc/63/09/60/130630960.db2.gz GMBBTOBWFPHSRI-DTWKUNHWSA-N 1 0 295.343 1.141 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1C[NH2+]CCC1(F)F ZINC000591674060 391981457 /nfs/dbraw/zinc/98/14/57/391981457.db2.gz DWZPDEWFGHNKLU-LLVKDONJSA-N 1 0 299.277 1.456 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000261591067 131154311 /nfs/dbraw/zinc/15/43/11/131154311.db2.gz XLQINOSXBCPZHN-VIFPVBQESA-N 1 0 251.286 1.241 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000261611875 131156351 /nfs/dbraw/zinc/15/63/51/131156351.db2.gz DZJLQONCFFLJSP-YPMHNXCESA-N 1 0 289.335 1.585 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000261972293 131180514 /nfs/dbraw/zinc/18/05/14/131180514.db2.gz DRJWGYZKJLLESE-NXEZZACHSA-N 1 0 292.339 1.376 20 5 CDBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000262569941 131234544 /nfs/dbraw/zinc/23/45/44/131234544.db2.gz GOMXCMIRBSHFIX-AWEZNQCLSA-N 1 0 294.355 1.670 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000262597758 131238815 /nfs/dbraw/zinc/23/88/15/131238815.db2.gz ZMQBGMXTYMEDSY-LLVKDONJSA-N 1 0 293.323 1.217 20 5 CDBDRO Cc1ccc(C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262735298 131257219 /nfs/dbraw/zinc/25/72/19/131257219.db2.gz CHLLICAQVAZUHA-WDEREUQCSA-N 1 0 277.324 1.726 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000262854392 131268031 /nfs/dbraw/zinc/26/80/31/131268031.db2.gz SQBLFNDSSBAFGO-PWSUYJOCSA-N 1 0 277.324 1.631 20 5 CDBDRO Cc1cc(N2CCC[C@H]([NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000310836500 392865145 /nfs/dbraw/zinc/86/51/45/392865145.db2.gz GWMBOZJADDVHNE-VIFPVBQESA-N 1 0 253.277 1.970 20 5 CDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC000417766427 392874504 /nfs/dbraw/zinc/87/45/04/392874504.db2.gz PDVYZWTVYGJFLX-UHFFFAOYSA-N 1 0 292.339 1.142 20 5 CDBDRO CC(C)[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H](O)CO ZINC000421001945 392925930 /nfs/dbraw/zinc/92/59/30/392925930.db2.gz QGIOAIVPSQFZAJ-AWEZNQCLSA-N 1 0 282.340 1.201 20 5 CDBDRO CC[NH2+]CCN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423251739 392960145 /nfs/dbraw/zinc/96/01/45/392960145.db2.gz WOUKPOKDMAJGQT-NSHDSACASA-N 1 0 294.355 1.511 20 5 CDBDRO Cc1cc(N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)ncc1[N+](=O)[O-] ZINC000272188309 393014201 /nfs/dbraw/zinc/01/42/01/393014201.db2.gz LQHAAXULGDHQDB-AAEUAGOBSA-N 1 0 276.340 1.829 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000194928082 393016101 /nfs/dbraw/zinc/01/61/01/393016101.db2.gz NHJVUHUBAFSRQU-ZCFIWIBFSA-N 1 0 257.677 1.325 20 5 CDBDRO C[C@H]1CC[C@@H]([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000429577974 393083152 /nfs/dbraw/zinc/08/31/52/393083152.db2.gz HJMDYDOMTQQDIO-VHSXEESVSA-N 1 0 252.318 1.949 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000430206823 393092747 /nfs/dbraw/zinc/09/27/47/393092747.db2.gz PNYUQRSIYJSNSP-SKDRFNHKSA-N 1 0 266.297 1.416 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000430246368 393094943 /nfs/dbraw/zinc/09/49/43/393094943.db2.gz ROMBWOPGDGXTRU-AWEZNQCLSA-N 1 0 293.323 1.301 20 5 CDBDRO C[NH2+][C@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430592904 393103156 /nfs/dbraw/zinc/10/31/56/393103156.db2.gz NUWDDYSKLJMDOD-PWSUYJOCSA-N 1 0 292.339 1.216 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCO[C@@H]1C ZINC000449291609 393133271 /nfs/dbraw/zinc/13/32/71/393133271.db2.gz MTGKXHULOPXZES-LALPHHSUSA-N 1 0 294.351 1.655 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC(=O)N1 ZINC000449294160 393134160 /nfs/dbraw/zinc/13/41/60/393134160.db2.gz XUIVBRZBTGQYSF-DGCLKSJQSA-N 1 0 291.351 1.784 20 5 CDBDRO Cc1cc(N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000275431939 135106991 /nfs/dbraw/zinc/10/69/91/135106991.db2.gz VLHNSDWKNXXYJO-CHWSQXEVSA-N 1 0 293.367 1.795 20 5 CDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135243858 139886324 /nfs/dbraw/zinc/88/63/24/139886324.db2.gz NBDWUYUGGSBXMM-AWEZNQCLSA-N 1 0 293.367 1.969 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193539794 140146820 /nfs/dbraw/zinc/14/68/20/140146820.db2.gz IORQIQZVQIIOJI-BXKDBHETSA-N 1 0 278.312 1.169 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000217315949 140163608 /nfs/dbraw/zinc/16/36/08/140163608.db2.gz MBHXJDDVFTYFBJ-LLVKDONJSA-N 1 0 293.323 1.467 20 5 CDBDRO Cc1cccc(NC[C@@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC000235892300 140237514 /nfs/dbraw/zinc/23/75/14/140237514.db2.gz RTUWZURFTVXEQK-JTQLQIEISA-N 1 0 251.286 1.304 20 5 CDBDRO CCC[C@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000236833049 140247033 /nfs/dbraw/zinc/24/70/33/140247033.db2.gz XJGXVKCXOCCKQL-ZDUSSCGKSA-N 1 0 277.324 1.607 20 5 CDBDRO O=[N+]([O-])c1cc(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cs1 ZINC000252667940 140321581 /nfs/dbraw/zinc/32/15/81/140321581.db2.gz QEZJHSUECBHFMO-NWDGAFQWSA-N 1 0 297.380 1.609 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000261540672 140344122 /nfs/dbraw/zinc/34/41/22/140344122.db2.gz AIMZZBQHEIEYTR-HTQZYQBOSA-N 1 0 254.315 1.240 20 5 CDBDRO C[C@]1(C[NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000261576729 140353415 /nfs/dbraw/zinc/35/34/15/140353415.db2.gz NWEWSWMEFFAYOO-LLVKDONJSA-N 1 0 269.326 1.467 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261589120 140358286 /nfs/dbraw/zinc/35/82/86/140358286.db2.gz KLGVTVNSVCPSST-ZJUUUORDSA-N 1 0 267.304 1.903 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@](C)(C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000261818516 140393530 /nfs/dbraw/zinc/39/35/30/140393530.db2.gz SYGKCEURFYGMNL-AWEZNQCLSA-N 1 0 277.324 1.714 20 5 CDBDRO Cc1c(CN2CC[C@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000261789438 148983368 /nfs/dbraw/zinc/98/33/68/148983368.db2.gz QITYNOXRCOAIGT-JSGCOSHPSA-N 1 0 275.352 1.945 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262505325 149070285 /nfs/dbraw/zinc/07/02/85/149070285.db2.gz ZQXSDOWPVGCQGH-SECBINFHSA-N 1 0 251.286 1.323 20 5 CDBDRO COCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000312171626 149228636 /nfs/dbraw/zinc/22/86/36/149228636.db2.gz VLKIKRIGZFUMMF-AAEUAGOBSA-N 1 0 282.340 1.951 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000343455654 152186151 /nfs/dbraw/zinc/18/61/51/152186151.db2.gz USHUZRDKAWLDSJ-MFKMUULPSA-N 1 0 292.339 1.511 20 5 CDBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000343599327 152239513 /nfs/dbraw/zinc/23/95/13/152239513.db2.gz VINVOTPGIIHMMT-RYUDHWBXSA-N 1 0 284.360 1.567 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000346169318 153081313 /nfs/dbraw/zinc/08/13/13/153081313.db2.gz QDLYOABGADIPCL-RYUDHWBXSA-N 1 0 281.360 1.206 20 5 CDBDRO CCOC(=O)CCN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352706553 155380985 /nfs/dbraw/zinc/38/09/85/155380985.db2.gz NYSKNZQIJXBSKM-UHFFFAOYSA-N 1 0 294.307 1.742 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000346678722 153269271 /nfs/dbraw/zinc/26/92/71/153269271.db2.gz LTDAPQWSQIXHIB-VHSXEESVSA-N 1 0 267.304 1.916 20 5 CDBDRO Cc1sc(C(=O)N[C@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000349956335 154286867 /nfs/dbraw/zinc/28/68/67/154286867.db2.gz BBTZKDPTSVULQW-ZCFIWIBFSA-N 1 0 257.315 1.432 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000349985332 154298189 /nfs/dbraw/zinc/29/81/89/154298189.db2.gz FWHJXLLVGYMVJK-JTQLQIEISA-N 1 0 280.328 1.250 20 5 CDBDRO CCOc1cc(NC[C@@](C)([NH3+])COC)ccc1[N+](=O)[O-] ZINC000356876825 157595972 /nfs/dbraw/zinc/59/59/72/157595972.db2.gz ZRHHVCBHEJZBCU-CYBMUJFWSA-N 1 0 283.328 1.769 20 5 CDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@]1(CO)CCOC1 ZINC000359839003 158394872 /nfs/dbraw/zinc/39/48/72/158394872.db2.gz XCZBFRAQXXVVTN-AWEZNQCLSA-N 1 0 280.324 1.221 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC([NH+](C)C)C2)c1 ZINC000158397380 286729367 /nfs/dbraw/zinc/72/93/67/286729367.db2.gz QYBHIKDUDOCREG-UHFFFAOYSA-N 1 0 295.364 1.703 20 5 CDBDRO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000362073902 159060400 /nfs/dbraw/zinc/06/04/00/159060400.db2.gz AKMZNZLODATKNV-VXGBXAGGSA-N 1 0 280.324 1.534 20 5 CDBDRO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1CO ZINC000362073428 159060616 /nfs/dbraw/zinc/06/06/16/159060616.db2.gz WKUFJKZGZKNLGZ-VHSXEESVSA-N 1 0 291.307 1.796 20 5 CDBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000362560421 159179730 /nfs/dbraw/zinc/17/97/30/159179730.db2.gz HIQHUSSJSAISGZ-NSHDSACASA-N 1 0 281.360 1.718 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2C2CC2)c1 ZINC000371844826 160056969 /nfs/dbraw/zinc/05/69/69/160056969.db2.gz VOAFFRCRTPZDTR-GFCCVEGCSA-N 1 0 250.302 1.666 20 5 CDBDRO CC(C)(O)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373247425 160185892 /nfs/dbraw/zinc/18/58/92/160185892.db2.gz ZFQWMGSPLZYWNO-UHFFFAOYSA-N 1 0 282.344 1.589 20 5 CDBDRO C[C@@H]([NH3+])CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000442661432 286913285 /nfs/dbraw/zinc/91/32/85/286913285.db2.gz NLTUDCBFLVVGOZ-LLVKDONJSA-N 1 0 264.329 1.064 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280805069 287152593 /nfs/dbraw/zinc/15/25/93/287152593.db2.gz SMGMEHRUQAKZJX-IINYFYTJSA-N 1 0 277.324 1.853 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000040593868 174348302 /nfs/dbraw/zinc/34/83/02/174348302.db2.gz PRZKODBWCBJRGK-LLVKDONJSA-N 1 0 277.324 1.666 20 5 CDBDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676253 174373629 /nfs/dbraw/zinc/37/36/29/174373629.db2.gz AYZCJNKQXVUTTH-ZWNOBZJWSA-N 1 0 279.340 1.627 20 5 CDBDRO CCC[C@H]([NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676271 174373813 /nfs/dbraw/zinc/37/38/13/174373813.db2.gz VLWQICUBSFMERT-LBPRGKRZSA-N 1 0 265.313 1.381 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC[NH2+]1 ZINC000044491983 175180846 /nfs/dbraw/zinc/18/08/46/175180846.db2.gz KZXIVVZWCQPUBV-GFCCVEGCSA-N 1 0 277.324 1.396 20 5 CDBDRO Cc1cccc(C(=O)NC[C@@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC000044491731 175181134 /nfs/dbraw/zinc/18/11/34/175181134.db2.gz DVVUPVRFZSAGGO-NSHDSACASA-N 1 0 277.324 1.775 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[NH2+]1 ZINC000044491981 175181145 /nfs/dbraw/zinc/18/11/45/175181145.db2.gz KZXIVVZWCQPUBV-LBPRGKRZSA-N 1 0 277.324 1.396 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[NH2+]C1 ZINC000044501722 175185820 /nfs/dbraw/zinc/18/58/20/175185820.db2.gz XOCOCMHGVQDGOP-LBPRGKRZSA-N 1 0 277.324 1.253 20 5 CDBDRO [NH3+]C[C@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000044528137 175192500 /nfs/dbraw/zinc/19/25/00/175192500.db2.gz DNLCFSAJJWCPCP-MRVPVSSYSA-N 1 0 269.326 1.467 20 5 CDBDRO Cc1nn(C)c(N[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000044725807 175238056 /nfs/dbraw/zinc/23/80/56/175238056.db2.gz ZWOLGXZPLMNLFG-SECBINFHSA-N 1 0 265.317 1.285 20 5 CDBDRO COc1ccc(NC(=O)[C@H]([NH3+])C2CCC2)cc1[N+](=O)[O-] ZINC000399125013 270368141 /nfs/dbraw/zinc/36/81/41/270368141.db2.gz RMSOXWYYWNCYGL-GFCCVEGCSA-N 1 0 279.296 1.669 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000702065442 782048131 /nfs/dbraw/zinc/04/81/31/782048131.db2.gz JHGWYRCCSXEPEH-SNVBAGLBSA-N 1 0 283.715 1.715 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000420289567 274004771 /nfs/dbraw/zinc/00/47/71/274004771.db2.gz ZORPMSWNNCYYQC-PSASIEDQSA-N 1 0 279.296 1.165 20 5 CDBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CC[NH2+]C2)s1 ZINC000261588999 275034216 /nfs/dbraw/zinc/03/42/16/275034216.db2.gz WBBFOAIQICFOKC-LURJTMIESA-N 1 0 265.298 1.373 20 5 CDBDRO CC[C@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000089306551 276543412 /nfs/dbraw/zinc/54/34/12/276543412.db2.gz ZTPWFCUPKLRINW-CYBMUJFWSA-N 1 0 279.340 1.594 20 5 CDBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000344649662 277040192 /nfs/dbraw/zinc/04/01/92/277040192.db2.gz UYNASZNUOSHOKP-LBPRGKRZSA-N 1 0 294.355 1.773 20 5 CDBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(N)c3F)[C@H]2C1 ZINC000286576124 277178290 /nfs/dbraw/zinc/17/82/90/277178290.db2.gz RZNYANPUSVHZQW-CABZTGNLSA-N 1 0 294.330 1.847 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000127703069 277277834 /nfs/dbraw/zinc/27/78/34/277277834.db2.gz VQSVZSHWPQTJPE-JTQLQIEISA-N 1 0 281.287 1.558 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000127685345 277285169 /nfs/dbraw/zinc/28/51/69/277285169.db2.gz WEJKCWVIMKNVSS-LLVKDONJSA-N 1 0 277.324 1.727 20 5 CDBDRO C[C@H](CN1CCCC1=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037783002 278184710 /nfs/dbraw/zinc/18/47/10/278184710.db2.gz JVKGPBKANVJALC-LLVKDONJSA-N 1 0 277.324 1.695 20 5 CDBDRO C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000235672063 278363723 /nfs/dbraw/zinc/36/37/23/278363723.db2.gz GRQLENLEATVSJH-GXFFZTMASA-N 1 0 277.324 1.794 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000070075962 278931537 /nfs/dbraw/zinc/93/15/37/278931537.db2.gz VIOMOSBNTDXFKB-QWRGUYRKSA-N 1 0 277.324 1.726 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000189307119 279032929 /nfs/dbraw/zinc/03/29/29/279032929.db2.gz OQUTYFVGEBWQJR-KWQFWETISA-N 1 0 281.287 1.604 20 5 CDBDRO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CC1 ZINC000049238007 279171465 /nfs/dbraw/zinc/17/14/65/279171465.db2.gz IBJATDUFZDBWIM-UHFFFAOYSA-N 1 0 263.297 1.536 20 5 CDBDRO CCN(CCC[NH+](C)C)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000425250803 279179347 /nfs/dbraw/zinc/17/93/47/279179347.db2.gz DMOBORPEWOIDKJ-UHFFFAOYSA-N 1 0 294.355 1.472 20 5 CDBDRO CCCN(c1nc2sccn2c1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000071332810 279209292 /nfs/dbraw/zinc/20/92/92/279209292.db2.gz AIPCOFOAYLNASD-SECBINFHSA-N 1 0 295.368 1.882 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](C)C1 ZINC000091557151 279286766 /nfs/dbraw/zinc/28/67/66/279286766.db2.gz FNIGVJUSPZTHHG-LLVKDONJSA-N 1 0 281.360 1.873 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000274443063 279297138 /nfs/dbraw/zinc/29/71/38/279297138.db2.gz QTSCQIXEDZTAHV-SSDOTTSWSA-N 1 0 263.253 1.418 20 5 CDBDRO C[C@H](NC(=O)NC[C@H](C)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000455100501 279438851 /nfs/dbraw/zinc/43/88/51/279438851.db2.gz GZIBIUMOZDDHKX-QWRGUYRKSA-N 1 0 294.355 1.905 20 5 CDBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000296536945 279474758 /nfs/dbraw/zinc/47/47/58/279474758.db2.gz DSTDWFOQPYUMOM-SMDDNHRTSA-N 1 0 290.323 1.503 20 5 CDBDRO C[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163637901 279707890 /nfs/dbraw/zinc/70/78/90/279707890.db2.gz CBHBLSZUIRRTSA-ONGXEEELSA-N 1 0 295.314 1.791 20 5 CDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]1 ZINC000178758358 279753558 /nfs/dbraw/zinc/75/35/58/279753558.db2.gz VCHJSUBMCYBSQT-LLVKDONJSA-N 1 0 293.323 1.232 20 5 CDBDRO C[C@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[NH2+]1 ZINC000029340632 279883753 /nfs/dbraw/zinc/88/37/53/279883753.db2.gz WIRIBEHWECMIRC-JTQLQIEISA-N 1 0 272.308 1.941 20 5 in-vivo CDBDRO C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000420402893 288208513 /nfs/dbraw/zinc/20/85/13/288208513.db2.gz QXRLHPLIHORFTO-ZJUUUORDSA-N 1 0 267.304 1.916 20 5 CDBDRO Cc1c(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000235662845 280213307 /nfs/dbraw/zinc/21/33/07/280213307.db2.gz VDGJRHRUWSEYBI-KWQFWETISA-N 1 0 263.297 1.322 20 5 CDBDRO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC000245597930 280223238 /nfs/dbraw/zinc/22/32/38/280223238.db2.gz SVCGOLMPXGARML-MNOVXSKESA-N 1 0 265.313 1.487 20 5 CDBDRO Cc1cc(C(=O)N2CCC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000135214442 280325207 /nfs/dbraw/zinc/32/52/07/280325207.db2.gz OCOKWYZYNTUBPK-UHFFFAOYSA-N 1 0 263.297 1.339 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000184964538 280341928 /nfs/dbraw/zinc/34/19/28/280341928.db2.gz AGEFUQHPIXTOLX-ZLKJLUDKSA-N 1 0 289.335 1.713 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3nnnn3CC2)cc1 ZINC000421397046 280364339 /nfs/dbraw/zinc/36/43/39/280364339.db2.gz KXFOYGVLSJRWAY-NSHDSACASA-N 1 0 288.311 1.076 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000275008206 281012353 /nfs/dbraw/zinc/01/23/53/281012353.db2.gz ILAULRADVCRISK-LBPRGKRZSA-N 1 0 279.340 1.406 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000037029618 281018940 /nfs/dbraw/zinc/01/89/40/281018940.db2.gz CYDCUAJHXXLITJ-JTQLQIEISA-N 1 0 263.297 1.841 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000320290666 292929647 /nfs/dbraw/zinc/92/96/47/292929647.db2.gz YQNCDYIVQUXPKT-UWVGGRQHSA-N 1 0 265.313 1.759 20 5 CDBDRO C[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000562399958 293151444 /nfs/dbraw/zinc/15/14/44/293151444.db2.gz AXWJZLFZNGDLJD-JTQLQIEISA-N 1 0 295.343 1.168 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000563312090 293339115 /nfs/dbraw/zinc/33/91/15/293339115.db2.gz UYQTWROFZCAMMJ-SNVBAGLBSA-N 1 0 280.303 1.803 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)N(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000564552883 293370878 /nfs/dbraw/zinc/37/08/78/293370878.db2.gz XMNFXSKEXCQSED-NSHDSACASA-N 1 0 294.355 1.954 20 5 CDBDRO C[C@@H](CC(N)=O)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565491003 293623247 /nfs/dbraw/zinc/62/32/47/293623247.db2.gz JSZXFFRWEITTTA-GZMMTYOYSA-N 1 0 263.297 1.436 20 5 CDBDRO CCOCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000568416964 294036205 /nfs/dbraw/zinc/03/62/05/294036205.db2.gz BGTYMCSVNXCZJO-UHFFFAOYSA-N 1 0 281.312 1.550 20 5 CDBDRO [NH3+]CCCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000570618436 294272873 /nfs/dbraw/zinc/27/28/73/294272873.db2.gz NUORBZKFQDHFII-UHFFFAOYSA-N 1 0 278.312 1.011 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](O)COc1ccc([N+](=O)[O-])c(CO)c1 ZINC000570653269 294281732 /nfs/dbraw/zinc/28/17/32/294281732.db2.gz XRSQKRFJLJKBQU-LBPRGKRZSA-N 1 0 298.339 1.167 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135429428 297398175 /nfs/dbraw/zinc/39/81/75/297398175.db2.gz WKMSGJNXKOSJEQ-RKDXNWHRSA-N 1 0 281.287 1.543 20 5 CDBDRO Cc1cccc(N2CCO[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000235927718 301998757 /nfs/dbraw/zinc/99/87/57/301998757.db2.gz KZJKKBOLZHWSOM-SNVBAGLBSA-N 1 0 251.286 1.067 20 5 CDBDRO O=[N+]([O-])c1ccccc1N[C@H](CO)C[NH+]1CCCCC1 ZINC000288888988 304808317 /nfs/dbraw/zinc/80/83/17/304808317.db2.gz HIOSKBLVHVTVID-LBPRGKRZSA-N 1 0 279.340 1.854 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000382458919 323642536 /nfs/dbraw/zinc/64/25/36/323642536.db2.gz SULRIGABVJJOJQ-UWVGGRQHSA-N 1 0 299.352 1.001 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000382994820 323656685 /nfs/dbraw/zinc/65/66/85/323656685.db2.gz IMYDWYFIAMIOBS-MRVPVSSYSA-N 1 0 252.274 1.406 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2CCCCCC2)c1 ZINC000389724927 323808414 /nfs/dbraw/zinc/80/84/14/323808414.db2.gz HQVBKXQYPZNQFM-AWEZNQCLSA-N 1 0 296.371 1.712 20 5 CDBDRO CC(C)C[C@@H]1C[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000395373629 323849968 /nfs/dbraw/zinc/84/99/68/323849968.db2.gz OWRJQWWZDPQZEB-RAIGVLPGSA-N 1 0 282.344 1.176 20 5 CDBDRO NC(=O)CC[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000579345255 324161684 /nfs/dbraw/zinc/16/16/84/324161684.db2.gz UEQJGQFWFLMKPX-UHFFFAOYSA-N 1 0 265.313 1.383 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000582302349 324949981 /nfs/dbraw/zinc/94/99/81/324949981.db2.gz QPDRWEZNZXUHOP-SSDOTTSWSA-N 1 0 271.704 1.573 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[C@@H](NC1C[NH2+]C1)C1CC1 ZINC000583558711 325198049 /nfs/dbraw/zinc/19/80/49/325198049.db2.gz QYCINUGOPOOMGB-CYBMUJFWSA-N 1 0 261.325 1.477 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(O[C@@H]2CCC[NH2+]C2)n1 ZINC000134246302 1175814963 /nfs/dbraw/zinc/81/49/63/1175814963.db2.gz AQSVZURGJIDDCC-MRVPVSSYSA-N 1 0 253.258 1.129 20 5 CDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C(F)F ZINC001019911650 1159563832 /nfs/dbraw/zinc/56/38/32/1159563832.db2.gz JMEGKDLYCNLIIR-MGCOHNPYSA-N 1 0 299.277 1.597 20 5 CDBDRO COCCCC[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000842170670 1160745889 /nfs/dbraw/zinc/74/58/89/1160745889.db2.gz AVPZJPNKWYTPPL-CQSZACIVSA-N 1 0 282.340 1.987 20 5 CDBDRO CC(C)[C@]1(CO)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000368067824 519830371 /nfs/dbraw/zinc/83/03/71/519830371.db2.gz BGJRMAJAVXZEFS-CYBMUJFWSA-N 1 0 282.344 1.132 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CCCC[NH3+] ZINC000070202527 523386993 /nfs/dbraw/zinc/38/69/93/523386993.db2.gz UVLNZTFLOYPTLE-UHFFFAOYSA-N 1 0 265.313 1.682 20 5 CDBDRO C[N@@H+]1CCC[C@@]2(CCN(CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000339433709 523835952 /nfs/dbraw/zinc/83/59/52/523835952.db2.gz XHMMKNUWTPAYNT-CQSZACIVSA-N 1 0 293.371 1.209 20 5 CDBDRO CO[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000363673682 523972817 /nfs/dbraw/zinc/97/28/17/523972817.db2.gz LMGGXQVSCVIHLT-ZDUSSCGKSA-N 1 0 295.339 1.257 20 5 CDBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245845368 524270844 /nfs/dbraw/zinc/27/08/44/524270844.db2.gz DOCQYSDOVSRBOP-NQBHXWOUSA-N 1 0 296.371 1.567 20 5 CDBDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000226175966 524701565 /nfs/dbraw/zinc/70/15/65/524701565.db2.gz BFCRSODXYBCXOG-WVWOOGAGSA-N 1 0 296.371 1.567 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C[NH3+])C1 ZINC000050247364 525461711 /nfs/dbraw/zinc/46/17/11/525461711.db2.gz BKIFLFSTWCMCIS-SNVBAGLBSA-N 1 0 265.313 1.384 20 5 CDBDRO C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])s2)CCC[N@@H+]1C ZINC000337021197 525668695 /nfs/dbraw/zinc/66/86/95/525668695.db2.gz RJLYPBIEIQUAAS-SFYZADRCSA-N 1 0 256.331 1.946 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000092132648 536448539 /nfs/dbraw/zinc/44/85/39/536448539.db2.gz AQEKMYOKGFDXSA-SECBINFHSA-N 1 0 251.286 1.697 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)C(F)(F)F)cc1 ZINC000070183812 527350904 /nfs/dbraw/zinc/35/09/04/527350904.db2.gz SIJJPUTYLXPYKX-SECBINFHSA-N 1 0 264.203 1.608 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000157031753 529052912 /nfs/dbraw/zinc/05/29/12/529052912.db2.gz VTLLWFGQHJAKSF-CYBMUJFWSA-N 1 0 279.340 1.627 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CC[NH3+])c1 ZINC000423534475 535428486 /nfs/dbraw/zinc/42/84/86/535428486.db2.gz WDBDOKNRGZXDAN-SECBINFHSA-N 1 0 281.312 1.461 20 5 CDBDRO CC[NH2+]CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000422786414 535475894 /nfs/dbraw/zinc/47/58/94/535475894.db2.gz OMQOOLRLBUEEJT-UHFFFAOYSA-N 1 0 279.340 1.859 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2nccs2)cc1 ZINC000731678363 575059505 /nfs/dbraw/zinc/05/95/05/575059505.db2.gz KMKCBWBXRWBNSH-NSHDSACASA-N 1 0 279.321 1.875 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](CO)C3CC3)nc2c1 ZINC000769794058 575385008 /nfs/dbraw/zinc/38/50/08/575385008.db2.gz GACYZWNDRTZRPA-GFCCVEGCSA-N 1 0 276.296 1.332 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)OCC[NH+]1CCCCC1 ZINC000770420101 575448040 /nfs/dbraw/zinc/44/80/40/575448040.db2.gz LIFNOXXDBGIJEB-UHFFFAOYSA-N 1 0 293.323 1.820 20 5 CDBDRO Cn1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000763474460 576738510 /nfs/dbraw/zinc/73/85/10/576738510.db2.gz YOHNUQVNPMJYSE-AWEZNQCLSA-N 1 0 275.308 1.757 20 5 CDBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)C[C@@H]1C ZINC000754080362 576878265 /nfs/dbraw/zinc/87/82/65/576878265.db2.gz UIRQGWITQNQCMH-VIFPVBQESA-N 1 0 291.311 1.661 20 5 CDBDRO C[NH+](C)C[C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000749391943 576946551 /nfs/dbraw/zinc/94/65/51/576946551.db2.gz LBJYQILPDGAYAF-LLVKDONJSA-N 1 0 264.329 1.768 20 5 CDBDRO CCOCCC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892478907 617406968 /nfs/dbraw/zinc/40/69/68/617406968.db2.gz SISYJKQRSZDZHD-UHFFFAOYSA-N 1 0 284.312 1.825 20 5 CDBDRO C[NH2+][C@@H](C)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000848397138 617407014 /nfs/dbraw/zinc/40/70/14/617407014.db2.gz UJTNWYHRSJJSNN-QMMMGPOBSA-N 1 0 285.731 1.815 20 5 CDBDRO Cc1ccc(CNC(=O)N2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000892536661 617484495 /nfs/dbraw/zinc/48/44/95/617484495.db2.gz HVQVHDWGAMTZEU-NSHDSACASA-N 1 0 292.339 1.407 20 5 CDBDRO CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278451 614796726 /nfs/dbraw/zinc/79/67/26/614796726.db2.gz DGNBRKIEGCBPLP-GBOPCIDUSA-N 1 0 295.383 1.232 20 5 CDBDRO C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581128 617677999 /nfs/dbraw/zinc/67/79/99/617677999.db2.gz DYQMFUYMZAKVGN-ZWNOBZJWSA-N 1 0 250.298 1.970 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N1CCC([NH2+]C(C)C)CC1 ZINC000892288397 617698315 /nfs/dbraw/zinc/69/83/15/617698315.db2.gz OQOCLZOZIXFDAJ-UHFFFAOYSA-N 1 0 294.355 1.965 20 5 CDBDRO CC[N@H+](CCC(=O)NC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000933863195 617702650 /nfs/dbraw/zinc/70/26/50/617702650.db2.gz CLSPGIFHZSYMEU-ZDUSSCGKSA-N 1 0 295.339 1.086 20 5 CDBDRO C[NH2+]C[C@H](C)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000843234648 617995145 /nfs/dbraw/zinc/99/51/45/617995145.db2.gz WQSNETTZZWZUBO-QMMMGPOBSA-N 1 0 256.306 1.380 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000892409474 618163709 /nfs/dbraw/zinc/16/37/09/618163709.db2.gz FQANYJLHQMCCEW-NSHDSACASA-N 1 0 279.344 1.393 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N(C)C[C@H]1CCC[N@@H+]1C ZINC000894250708 618756637 /nfs/dbraw/zinc/75/66/37/618756637.db2.gz AXYGHOBCIBXMDP-SNVBAGLBSA-N 1 0 280.328 1.529 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2COCO2)cc1Cl ZINC000894878313 619115238 /nfs/dbraw/zinc/11/52/38/619115238.db2.gz ANPRIESFQQDERK-VIFPVBQESA-N 1 0 272.688 1.711 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1COCO1 ZINC000894878755 619116614 /nfs/dbraw/zinc/11/66/14/619116614.db2.gz LVQGQLKVFVGJQT-JAYGETEZSA-N 1 0 278.308 1.961 20 5 CDBDRO C[C@@H](Nc1cccnc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895245505 619486377 /nfs/dbraw/zinc/48/63/77/619486377.db2.gz BAMVJGXOQCLNEY-ZYHUDNBSSA-N 1 0 279.344 1.036 20 5 CDBDRO CC(C)Oc1nc(NC[C@@H]2CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000895769567 619835353 /nfs/dbraw/zinc/83/53/53/619835353.db2.gz UFOVIGCIQKDFDL-JTQLQIEISA-N 1 0 280.328 1.893 20 5 CDBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cnn(C)n1 ZINC000925155306 620500691 /nfs/dbraw/zinc/50/06/91/620500691.db2.gz VBCHKPNZJROURR-SNVBAGLBSA-N 1 0 275.312 1.617 20 5 CDBDRO O=[N+]([O-])c1ncn(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000899623819 622329150 /nfs/dbraw/zinc/32/91/50/622329150.db2.gz JTUNBNWTIUDOBJ-PBINXNQUSA-N 1 0 251.290 1.107 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCN1C ZINC000903314842 625970129 /nfs/dbraw/zinc/97/01/29/625970129.db2.gz CDQYXYYWWGFDFM-ZYHUDNBSSA-N 1 0 279.340 1.958 20 5 CDBDRO NOCCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000904456895 626301166 /nfs/dbraw/zinc/30/11/66/626301166.db2.gz MPLAILXJDSGSHU-UTCJRWHESA-N 1 0 251.286 1.478 20 5 CDBDRO CCN(CCC[NH2+]CC[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000905111352 626625750 /nfs/dbraw/zinc/62/57/50/626625750.db2.gz SHOFTKJVGVCMRY-UHFFFAOYSA-N 1 0 275.349 1.500 20 5 CDBDRO CC[C@H](C[NH2+]CC[N+](=O)[O-])Oc1cccc(F)c1 ZINC000905158131 626640689 /nfs/dbraw/zinc/64/06/89/626640689.db2.gz DPYNCMWJVRJGOR-LLVKDONJSA-N 1 0 256.277 1.849 20 5 CDBDRO Cc1ccccc1[C@H]([C@@H](C)NCC[N+](=O)[O-])[NH+](C)C ZINC000905231397 626685666 /nfs/dbraw/zinc/68/56/66/626685666.db2.gz SSBDMGWTXXAWFN-OCCSQVGLSA-N 1 0 265.357 1.853 20 5 CDBDRO Cc1cc(C[NH2+]CC[N+](=O)[O-])cc(N2CCCC2)n1 ZINC000905264154 626713202 /nfs/dbraw/zinc/71/32/02/626713202.db2.gz QOLILEUTFYMBDZ-UHFFFAOYSA-N 1 0 264.329 1.357 20 5 CDBDRO CC[NH2+]CCCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911687929 629416906 /nfs/dbraw/zinc/41/69/06/629416906.db2.gz KVQJHYJXYJAVDN-KGLIPLIRSA-N 1 0 291.351 1.814 20 5 CDBDRO CC(C)C[C@H]([NH3+])CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000912256499 629871995 /nfs/dbraw/zinc/87/19/95/629871995.db2.gz XICLLXUWOCZSBU-LBPRGKRZSA-N 1 0 279.340 1.975 20 5 CDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000914325443 631343763 /nfs/dbraw/zinc/34/37/63/631343763.db2.gz KEHVQNYOFAPUAR-CYBMUJFWSA-N 1 0 292.339 1.141 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(N3C[C@H]4C[NH2+]C[C@H]4C3)sc2c1 ZINC000731206514 631612394 /nfs/dbraw/zinc/61/23/94/631612394.db2.gz KKUXVEHRWLHXKS-DTORHVGOSA-N 1 0 290.348 1.860 20 5 CDBDRO COc1ccc(C[C@@H](C)N2CC([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001170326678 1162337578 /nfs/dbraw/zinc/33/75/78/1162337578.db2.gz BNQBHEHERSSTGW-LLVKDONJSA-N 1 0 293.367 1.780 20 5 CDBDRO [NH3+]C[C@@]1(F)CCN(c2cnc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001157810221 1162440880 /nfs/dbraw/zinc/44/08/80/1162440880.db2.gz YLWHKXYQILVNTM-ZDUSSCGKSA-N 1 0 291.286 1.415 20 5 CDBDRO C[NH+](C)C[C@@](C)(O)CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804568408 1162487823 /nfs/dbraw/zinc/48/78/23/1162487823.db2.gz IILBMLVTTQYAGX-LBPRGKRZSA-N 1 0 298.299 1.228 20 5 CDBDRO C[C@H](O)c1ncc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)s1 ZINC000809626570 1163054035 /nfs/dbraw/zinc/05/40/35/1163054035.db2.gz HJPXJWPWPGGMQZ-QMMMGPOBSA-N 1 0 297.340 1.091 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ncn3ccccc23)C1 ZINC001168998588 1161997105 /nfs/dbraw/zinc/99/71/05/1161997105.db2.gz OWYMDUFYFCNTGT-NWDGAFQWSA-N 1 0 274.324 1.869 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cn(CCF)cn2)C1 ZINC001168998061 1161997190 /nfs/dbraw/zinc/99/71/90/1161997190.db2.gz HUHPHOHHOLBYIC-QWRGUYRKSA-N 1 0 270.308 1.388 20 5 CDBDRO CCOc1nc(N2CCC3(C[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC001159042471 1164010706 /nfs/dbraw/zinc/01/07/06/1164010706.db2.gz GVEXPCCTOQKKOJ-UHFFFAOYSA-N 1 0 292.339 1.578 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865503119 1164654884 /nfs/dbraw/zinc/65/48/84/1164654884.db2.gz SEPWYVJFFLAYMG-NSHDSACASA-N 1 0 297.330 1.757 20 5 CDBDRO CC[C@H](C)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867942367 1164885681 /nfs/dbraw/zinc/88/56/81/1164885681.db2.gz QUPHTUOPXCSBKF-ZANVPECISA-N 1 0 265.313 1.683 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877764731 1166095449 /nfs/dbraw/zinc/09/54/49/1166095449.db2.gz NJKRPXSNADXYOE-DRYSKOCLSA-N 1 0 292.335 1.141 20 5 CDBDRO COCC[C@@H](CO)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000883110519 1166485843 /nfs/dbraw/zinc/48/58/43/1166485843.db2.gz CMAARFPCJFXSDI-LBPRGKRZSA-N 1 0 282.340 1.699 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ccnc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001155537160 1167220048 /nfs/dbraw/zinc/22/00/48/1167220048.db2.gz BXVAYYGTLVYALK-RDDDGLTNSA-N 1 0 284.703 1.186 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ccnc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001155635348 1167270268 /nfs/dbraw/zinc/27/02/68/1167270268.db2.gz JCLBDFUIEYDGPI-WEDXCCLWSA-N 1 0 284.703 1.184 20 5 CDBDRO C[C@H](OC(=O)[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC001573590854 1170701541 /nfs/dbraw/zinc/70/15/41/1170701541.db2.gz YCSASZOEOPTGRE-JOYOIKCWSA-N 1 0 264.281 1.951 20 5 CDBDRO C[C@@]1(CNC(=O)Nc2cccc([N+](=O)[O-])c2)C[NH2+]CCO1 ZINC001576516847 1171445109 /nfs/dbraw/zinc/44/51/09/1171445109.db2.gz UXOWZPUCMIXVMS-ZDUSSCGKSA-N 1 0 294.311 1.095 20 5 CDBDRO Cc1c(CN[C@@]2(CO)CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC001579534742 1172207418 /nfs/dbraw/zinc/20/74/18/1172207418.db2.gz SAPWTCCEIAXKHL-AWEZNQCLSA-N 1 0 279.340 1.107 20 5 CDBDRO Cc1cc(N2CC3(C2)CC[NH2+]C3)c([N+](=O)[O-])s1 ZINC001579622739 1172227608 /nfs/dbraw/zinc/22/76/08/1172227608.db2.gz WGUDZRGZETUNLB-UHFFFAOYSA-N 1 0 253.327 1.764 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])n1 ZINC001579642380 1172233014 /nfs/dbraw/zinc/23/30/14/1172233014.db2.gz CQGZGKLBLSNXSX-RNCFNFMXSA-N 1 0 292.339 1.498 20 5 CDBDRO C[NH+](C)C[C@@H]1CCCN1c1nc(Cl)ncc1[N+](=O)[O-] ZINC000234252110 1178216087 /nfs/dbraw/zinc/21/60/87/1178216087.db2.gz KTQFTUJWXQCQLM-QMMMGPOBSA-N 1 0 285.735 1.569 20 5 CDBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)CCCF ZINC001753220099 1185121605 /nfs/dbraw/zinc/12/16/05/1185121605.db2.gz CTHDYOVROAHDAF-UHFFFAOYSA-N 1 0 297.330 1.893 20 5 CDBDRO [NH3+][C@H]1C[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000404468622 1186519797 /nfs/dbraw/zinc/51/97/97/1186519797.db2.gz CHTIZUKGJHJFBP-NWDGAFQWSA-N 1 0 275.308 1.595 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@]1(CO)CCOC1 ZINC000449238872 1186808035 /nfs/dbraw/zinc/80/80/35/1186808035.db2.gz TWTXACWEIOWOIM-RISCZKNCSA-N 1 0 280.324 1.267 20 5 CDBDRO C[N@@H+]1CCO[C@@H]2CN(c3cc([N+](=O)[O-])cc(Cl)n3)C[C@H]21 ZINC001164669135 719371315 /nfs/dbraw/zinc/37/13/15/719371315.db2.gz QCJWQTNJIMEYQX-NXEZZACHSA-N 1 0 298.730 1.162 20 5 CDBDRO CN(CC1CC[NH+](C)CC1)c1cc(N)c([N+](=O)[O-])cn1 ZINC001120895216 721934884 /nfs/dbraw/zinc/93/48/84/721934884.db2.gz CBJWPXKZPNAVPU-UHFFFAOYSA-N 1 0 279.344 1.350 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+](CCO)CC2CC2)cc1 ZINC000776578586 1164451788 /nfs/dbraw/zinc/45/17/88/1164451788.db2.gz GRNIERFCAUMJFB-CQSZACIVSA-N 1 0 280.324 1.333 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1CCC1 ZINC000866309367 1164765054 /nfs/dbraw/zinc/76/50/54/1164765054.db2.gz OPWFJXPMSSXONG-LLVKDONJSA-N 1 0 281.331 1.960 20 5 CDBDRO COC[C@H](CO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866351081 1164770935 /nfs/dbraw/zinc/77/09/35/1164770935.db2.gz LISSWBLCLGVSPE-CABZTGNLSA-N 1 0 286.303 1.262 20 5 CDBDRO [NH3+]C[C@@H]1[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1(F)F ZINC000876572454 1165872941 /nfs/dbraw/zinc/87/29/41/1165872941.db2.gz XRTBGVSQNSAZFS-MWLCHTKSSA-N 1 0 297.261 1.324 20 5 CDBDRO CC(C)CC[C@@H]([NH3+])C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001575560949 1167650463 /nfs/dbraw/zinc/65/04/63/1167650463.db2.gz QQVILXLBABEINM-LLVKDONJSA-N 1 0 280.328 1.879 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001576096806 1167657695 /nfs/dbraw/zinc/65/76/95/1167657695.db2.gz NGNFVGZZBYDWMM-SFYZADRCSA-N 1 0 285.731 1.643 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1C[C@@H](O)C1 ZINC001173218128 912301235 /nfs/dbraw/zinc/30/12/35/912301235.db2.gz OJYZLOGSESLNSE-VHRBIJSZSA-N 1 0 264.325 1.886 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC[C@@](C)(O)C1 ZINC001173221423 912304176 /nfs/dbraw/zinc/30/41/76/912304176.db2.gz IHOZSAHFMDOSII-DOMZBBRYSA-N 1 0 294.351 1.609 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC2(COC2)C1 ZINC001173223527 912311538 /nfs/dbraw/zinc/31/15/38/912311538.db2.gz AQFWGJDJXUMDCX-NSHDSACASA-N 1 0 262.309 1.858 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(CO)C1 ZINC001173228341 912319633 /nfs/dbraw/zinc/31/96/33/912319633.db2.gz VASYLKUHMPGAGR-JTQLQIEISA-N 1 0 250.298 1.450 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(C(=O)N(C)C)C1 ZINC001173227060 912320719 /nfs/dbraw/zinc/32/07/19/912320719.db2.gz NEBYAGRSSRBKPQ-NSHDSACASA-N 1 0 291.351 1.546 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](F)(CO)C1 ZINC001173230707 912327731 /nfs/dbraw/zinc/32/77/31/912327731.db2.gz ZSKFNPKNYSWBTH-FZMZJTMJSA-N 1 0 282.315 1.932 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1-n1ccnc1[C@@H]1CCC[NH2+]C1 ZINC001167056330 894069288 /nfs/dbraw/zinc/06/92/88/894069288.db2.gz QFETYFQVMVYKNI-LLVKDONJSA-N 1 0 287.323 1.951 20 5 CDBDRO C[NH2+]Cc1c(C)nn(-c2ncc([N+](=O)[O-])cc2F)c1C ZINC001167098345 894492846 /nfs/dbraw/zinc/49/28/46/894492846.db2.gz KRPBMCIZQRNXCU-UHFFFAOYSA-N 1 0 279.275 1.651 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1NCc1cncnc1)C[NH2+]C2 ZINC001167266145 894998711 /nfs/dbraw/zinc/99/87/11/894998711.db2.gz LXBLUIHSDQFMIO-UHFFFAOYSA-N 1 0 271.280 1.600 20 5 CDBDRO Cc1c(C(=O)NC2CCC([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000051692620 896859122 /nfs/dbraw/zinc/85/91/22/896859122.db2.gz CLMBUDHSUUGYFX-UHFFFAOYSA-N 1 0 277.324 1.903 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCO[C@H]1CCOC1 ZINC000724998407 897630025 /nfs/dbraw/zinc/63/00/25/897630025.db2.gz LYDVEUFXBYBWOR-LBPRGKRZSA-N 1 0 266.297 1.490 20 5 CDBDRO [NH3+]C1CCC(NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000091843106 897643671 /nfs/dbraw/zinc/64/36/71/897643671.db2.gz OXWBNWSCSVGJSL-UHFFFAOYSA-N 1 0 277.324 1.523 20 5 CDBDRO CC[C@@H](CO)[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000293976535 899141881 /nfs/dbraw/zinc/14/18/81/899141881.db2.gz VEXGOVCQXRSOOQ-NSHDSACASA-N 1 0 256.277 1.937 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCC[NH+](C)C)c1F ZINC000312496031 899873444 /nfs/dbraw/zinc/87/34/44/899873444.db2.gz DEKHQSBGGOLSJS-UHFFFAOYSA-N 1 0 287.266 1.473 20 5 CDBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000695903000 900071310 /nfs/dbraw/zinc/07/13/10/900071310.db2.gz DWIQOAHNSXZADL-FZMZJTMJSA-N 1 0 278.356 1.641 20 5 CDBDRO COC(=O)[C@H](O[C@H](C)C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001223641748 901813482 /nfs/dbraw/zinc/81/34/82/901813482.db2.gz COPNYEOKJOQYJI-ZWNOBZJWSA-N 1 0 296.323 1.776 20 5 CDBDRO Cc1ccc(-c2noc(CCC[NH3+])n2)cc1[N+](=O)[O-] ZINC000843178840 921209345 /nfs/dbraw/zinc/20/93/45/921209345.db2.gz MUWGIGRPYICEII-UHFFFAOYSA-N 1 0 262.269 1.845 20 5 CDBDRO CC[NH2+]CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000054266018 906552200 /nfs/dbraw/zinc/55/22/00/906552200.db2.gz QQSNZFUZXHDIJA-UHFFFAOYSA-N 1 0 252.274 1.326 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1NC1(C)CC[NH2+]CC1 ZINC001168186354 907750130 /nfs/dbraw/zinc/75/01/30/907750130.db2.gz YPRSILRSPDRBRK-UHFFFAOYSA-N 1 0 293.323 1.935 20 5 CDBDRO C[C@@H](CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1)[NH+](C)C ZINC000697924303 909604414 /nfs/dbraw/zinc/60/44/14/909604414.db2.gz ZNQIRVPYLAOVJM-VIFPVBQESA-N 1 0 280.328 1.247 20 5 CDBDRO CCOC(=O)[C@@H](OCCC[N+](C)(C)C)C(F)(F)F ZINC001224620672 909973488 /nfs/dbraw/zinc/97/34/88/909973488.db2.gz ADVXDAZJLXUHIQ-SECBINFHSA-N 1 0 272.287 1.593 20 5 CDBDRO [NH3+]Cc1nccnc1Nc1ccc2ncc([N+](=O)[O-])n2c1 ZINC001171447618 910625723 /nfs/dbraw/zinc/62/57/23/910625723.db2.gz JQHVYTQLEKOGTF-UHFFFAOYSA-N 1 0 285.267 1.235 20 5 CDBDRO C[C@@H](CN(C)C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000168890781 911766511 /nfs/dbraw/zinc/76/65/11/911766511.db2.gz REDRSMCTCIXXFB-GXFFZTMASA-N 1 0 267.329 1.168 20 5 CDBDRO NC(=O)CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901141 912038337 /nfs/dbraw/zinc/03/83/37/912038337.db2.gz JXPJCDJAQLUJIW-LBPRGKRZSA-N 1 0 277.324 1.307 20 5 CDBDRO O=C(CCO)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912722 912102753 /nfs/dbraw/zinc/10/27/53/912102753.db2.gz OQQQMZMDZGWBOV-ZDUSSCGKSA-N 1 0 292.335 1.383 20 5 CDBDRO CC(C)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178450210 915417474 /nfs/dbraw/zinc/41/74/74/915417474.db2.gz XVXLJXNIDGGRSV-CHWSQXEVSA-N 1 0 285.388 1.574 20 5 CDBDRO O=C(/C=C\C1CC1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001125236963 936358574 /nfs/dbraw/zinc/35/85/74/936358574.db2.gz MVVCSJIDJPVEKA-SREVYHEPSA-N 1 0 289.335 1.767 20 5 CDBDRO O=[N+]([O-])c1c(F)cccc1NC[C@@H]1CCC[N@H+]1CCCO ZINC000828420542 936375026 /nfs/dbraw/zinc/37/50/26/936375026.db2.gz DOOVPRFYMULQNX-NSHDSACASA-N 1 0 297.330 1.993 20 5 CDBDRO C=CC(=O)NCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254539341 936407088 /nfs/dbraw/zinc/40/70/88/936407088.db2.gz HHEAQNRORQMOHF-LLVKDONJSA-N 1 0 277.324 1.418 20 5 CDBDRO [NH3+][C@H](CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000831217669 936497708 /nfs/dbraw/zinc/49/77/08/936497708.db2.gz GOVJGBVCDPUFKE-GFCCVEGCSA-N 1 0 297.742 1.992 20 5 CDBDRO CCC1(Nc2c(C)c([N+](=O)[O-])cnc2C(=O)OC)C[NH2+]C1 ZINC001168582898 919289486 /nfs/dbraw/zinc/28/94/86/919289486.db2.gz CBRDOSYUNVJOND-UHFFFAOYSA-N 1 0 294.311 1.249 20 5 CDBDRO CCOC(=O)c1cc(NC2(CC)C[NH2+]C2)ccc1[N+](=O)[O-] ZINC001168586347 919325141 /nfs/dbraw/zinc/32/51/41/919325141.db2.gz HVYQTCKWYWMCTG-UHFFFAOYSA-N 1 0 293.323 1.935 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@H]([NH3+])C1CC1 ZINC000827464026 936593535 /nfs/dbraw/zinc/59/35/35/936593535.db2.gz PHLXPIBMVXBPLU-LBPRGKRZSA-N 1 0 293.323 1.347 20 5 CDBDRO CC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000074231178 919773723 /nfs/dbraw/zinc/77/37/23/919773723.db2.gz IOGXGBXZAKBGHJ-UHFFFAOYSA-N 1 0 251.286 1.211 20 5 CDBDRO C[C@H]([NH3+])CN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000700612658 922257335 /nfs/dbraw/zinc/25/73/35/922257335.db2.gz UUXQHZWEOJGINA-ZETCQYMHSA-N 1 0 271.704 1.667 20 5 CDBDRO CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1(C[NH3+])CCC1 ZINC000923363418 923778013 /nfs/dbraw/zinc/77/80/13/923778013.db2.gz XFTWMQGBGZYODC-CYBMUJFWSA-N 1 0 279.340 1.441 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923392165 923799574 /nfs/dbraw/zinc/79/95/74/923799574.db2.gz HKAHQXOUFRIKON-OSMZGAPFSA-N 1 0 279.340 1.440 20 5 CDBDRO O=c1c(Cl)cc([N+](=O)[O-])cn1C[C@@H]1CCC[NH2+]C1 ZINC001118198614 923888910 /nfs/dbraw/zinc/88/89/10/923888910.db2.gz XFQORWCXCUVHJC-MRVPVSSYSA-N 1 0 271.704 1.410 20 5 CDBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839675997 936919436 /nfs/dbraw/zinc/91/94/36/936919436.db2.gz UZLVVKCNPZAEKE-KYOSRNDESA-N 1 0 294.351 1.721 20 5 CDBDRO [NH3+]CCN(CCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841059714 936973585 /nfs/dbraw/zinc/97/35/85/936973585.db2.gz VYKVZPDSKCPGHM-UHFFFAOYSA-N 1 0 273.720 1.001 20 5 CDBDRO [NH3+][C@H]1CCN(c2cc([N+](=O)[O-])ccn2)CC1(F)F ZINC001166959411 925368169 /nfs/dbraw/zinc/36/81/69/925368169.db2.gz FSFBBTYDDDUULR-QMMMGPOBSA-N 1 0 258.228 1.163 20 5 CDBDRO C[NH2+]C[C@@H](C)c1noc(-c2cccc(OC)c2[N+](=O)[O-])n1 ZINC000842581901 937063438 /nfs/dbraw/zinc/06/34/38/937063438.db2.gz NAMPZNCWYYGGAM-MRVPVSSYSA-N 1 0 292.295 1.976 20 5 CDBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000842614012 937064519 /nfs/dbraw/zinc/06/45/19/937064519.db2.gz FXFHKNHCKIFWGZ-VXGBXAGGSA-N 1 0 280.328 1.640 20 5 CDBDRO C/C=C/C[C@H](CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843077033 937110201 /nfs/dbraw/zinc/11/02/01/937110201.db2.gz KQLCTZLFAZULJU-SDEBIZQBSA-N 1 0 280.324 1.545 20 5 CDBDRO COc1cccc(-c2nc(CC[NH3+])no2)c1[N+](=O)[O-] ZINC000843131360 937116297 /nfs/dbraw/zinc/11/62/97/937116297.db2.gz JEDBSQKPEMAHQG-UHFFFAOYSA-N 1 0 264.241 1.155 20 5 CDBDRO COc1cc(Cc2noc(CC[NH3+])n2)ccc1[N+](=O)[O-] ZINC000843191757 937120785 /nfs/dbraw/zinc/12/07/85/937120785.db2.gz MGKLSINBICJTHY-UHFFFAOYSA-N 1 0 278.268 1.078 20 5 CDBDRO CC(C)(C[NH3+])c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000843232723 937124406 /nfs/dbraw/zinc/12/44/06/937124406.db2.gz AUHXMUVEOGGPBC-UHFFFAOYSA-N 1 0 256.306 1.294 20 5 CDBDRO CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)C1CC([NH3+])C1 ZINC000843485904 937155255 /nfs/dbraw/zinc/15/52/55/937155255.db2.gz YDHTWAQVYJALBB-UHFFFAOYSA-N 1 0 297.286 1.061 20 5 CDBDRO C[NH2+]CCCC(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000843495927 937156574 /nfs/dbraw/zinc/15/65/74/937156574.db2.gz XQEQAAPSEHEAOV-UHFFFAOYSA-N 1 0 277.324 1.792 20 5 CDBDRO [NH3+][C@@H]1CCc2nn(-c3cccc4ncc([N+](=O)[O-])n43)cc2C1 ZINC001168816316 927448819 /nfs/dbraw/zinc/44/88/19/927448819.db2.gz BDZOUISKJQLIOV-SNVBAGLBSA-N 1 0 298.306 1.244 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000850741019 927459248 /nfs/dbraw/zinc/45/92/48/927459248.db2.gz JIOLPICCQNMCCZ-ZETCQYMHSA-N 1 0 286.719 1.978 20 5 CDBDRO CCOc1cc(-n2cc(CC[NH3+])cn2)ccc1[N+](=O)[O-] ZINC001168952630 927557723 /nfs/dbraw/zinc/55/77/23/927557723.db2.gz NGNWHMSCNGCMNS-UHFFFAOYSA-N 1 0 276.296 1.680 20 5 CDBDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168978109 927565154 /nfs/dbraw/zinc/56/51/54/927565154.db2.gz OKJBWVILSCMJGM-MGPQQGTHSA-N 1 0 283.372 1.280 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN(c3ncccn3)C2)C1 ZINC001168956335 927577229 /nfs/dbraw/zinc/57/72/29/927577229.db2.gz DQTIZPZAYSJKAX-JHJVBQTASA-N 1 0 291.355 1.090 20 5 CDBDRO NC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168962365 927583933 /nfs/dbraw/zinc/58/39/33/927583933.db2.gz LVRAYOHUOFCMNW-IHRRRGAJSA-N 1 0 291.351 1.118 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](CO)c2ccc(F)cc2)C1 ZINC001168964984 927586866 /nfs/dbraw/zinc/58/68/66/927586866.db2.gz WYNVGJPFKVMUSF-SWHYSGLUSA-N 1 0 282.315 1.894 20 5 CDBDRO COc1ncccc1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168966281 927589463 /nfs/dbraw/zinc/58/94/63/927589463.db2.gz HJRWLTOMPBWNJP-JQWIXIFHSA-N 1 0 265.313 1.625 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(CO)c2)C1 ZINC001168971382 927593838 /nfs/dbraw/zinc/59/38/38/927593838.db2.gz JYRDZGMIIKTZJH-TZMCWYRMSA-N 1 0 264.325 1.714 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3cccnn3)CC2)C1 ZINC001168973298 927597531 /nfs/dbraw/zinc/59/75/31/927597531.db2.gz NTBGAXNDHAXFBH-WDEREUQCSA-N 1 0 262.313 1.501 20 5 CDBDRO COCCN1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168992480 927601251 /nfs/dbraw/zinc/60/12/51/927601251.db2.gz JYQYGTFIZGLBKN-OCCSQVGLSA-N 1 0 285.388 1.132 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCCC3(COC3)C2)C1 ZINC001169012549 927619015 /nfs/dbraw/zinc/61/90/15/927619015.db2.gz RAQPCCLJYVVTMD-NEPJUHHUSA-N 1 0 254.330 1.544 20 5 CDBDRO Cc1nc2c(n1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC[NH2+]CC2 ZINC001169014449 927619243 /nfs/dbraw/zinc/61/92/43/927619243.db2.gz ZWIYVVUXGVDOOI-VXGBXAGGSA-N 1 0 278.356 1.498 20 5 CDBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987738 927624343 /nfs/dbraw/zinc/62/43/43/927624343.db2.gz JYJBIXZOOTZBSQ-LPWJVIDDSA-N 1 0 284.356 1.753 20 5 CDBDRO O=C1CCC2(CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)O1 ZINC001169032980 927639535 /nfs/dbraw/zinc/63/95/35/927639535.db2.gz AMYIVDWYAVBZRW-NEPJUHHUSA-N 1 0 282.340 1.603 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC([NH+]3CCCC3)C2)C1 ZINC001169037091 927646509 /nfs/dbraw/zinc/64/65/09/927646509.db2.gz QVHVEKUUDCYNII-NEPJUHHUSA-N 1 0 253.346 1.212 20 5 CDBDRO CC(C)(C)N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169036740 927646554 /nfs/dbraw/zinc/64/65/54/927646554.db2.gz PWJYWBVVRGCTPR-OLZOCXBDSA-N 1 0 269.389 1.848 20 5 CDBDRO CC(=O)N(C)C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169037109 927647663 /nfs/dbraw/zinc/64/76/63/927647663.db2.gz JBHNYNWODLZTFE-GXTWGEPZSA-N 1 0 283.372 1.375 20 5 CDBDRO COCc1nn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2c1C[NH2+]C2 ZINC001169022755 927662983 /nfs/dbraw/zinc/66/29/83/927662983.db2.gz SMHIUNJJLIVLFV-NXEZZACHSA-N 1 0 280.328 1.251 20 5 CDBDRO CO[C@@H]1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H](C)C1 ZINC001169050643 927669089 /nfs/dbraw/zinc/66/90/89/927669089.db2.gz CCWINVLXRIEISI-MROQNXINSA-N 1 0 256.346 1.931 20 5 CDBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852559383 927816419 /nfs/dbraw/zinc/81/64/19/927816419.db2.gz PVJARJOYZYCOGE-HONMWMINSA-N 1 0 280.324 1.473 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1C[C@H]([NH3+])C1)CC2 ZINC000852889958 927908589 /nfs/dbraw/zinc/90/85/89/927908589.db2.gz VGMAXXNWBMQARR-XYPYZODXSA-N 1 0 275.308 1.530 20 5 CDBDRO CO[C@@H](C)C(=[NH2+])NOCc1c(F)cc([N+](=O)[O-])cc1F ZINC000853674101 928073395 /nfs/dbraw/zinc/07/33/95/928073395.db2.gz RLTCKCUDTXXRIO-LURJTMIESA-N 1 0 289.238 1.906 20 5 CDBDRO CON(C)C(=O)[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000858588381 928892426 /nfs/dbraw/zinc/89/24/26/928892426.db2.gz DHESAAKPDPDCTO-BXKDBHETSA-N 1 0 293.323 1.580 20 5 CDBDRO COc1ccc(NC(=O)N(C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000859675750 929048708 /nfs/dbraw/zinc/04/87/08/929048708.db2.gz OWCQOGSMBBQFMJ-QMMMGPOBSA-N 1 0 282.300 1.414 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)nc1NC[C@@H]1COCC[NH2+]1 ZINC001170044094 929129623 /nfs/dbraw/zinc/12/96/23/929129623.db2.gz JZRWWVMMOMCRGJ-SSDOTTSWSA-N 1 0 272.692 1.044 20 5 CDBDRO CN(c1c(Cl)nccc1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC001170052975 929188478 /nfs/dbraw/zinc/18/84/78/929188478.db2.gz OIXSTORAAZZJDJ-UHFFFAOYSA-N 1 0 258.709 1.817 20 5 CDBDRO Cc1c[nH]c(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)n1 ZINC000862366237 929403845 /nfs/dbraw/zinc/40/38/45/929403845.db2.gz FQLHQNPRVLIRLO-UHFFFAOYSA-N 1 0 275.312 1.592 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C[C@H](C)[NH3+] ZINC000863568721 929572579 /nfs/dbraw/zinc/57/25/79/929572579.db2.gz MDYYNMXBPYXOMN-NSHDSACASA-N 1 0 294.355 1.511 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H](CF)C2)c1 ZINC000880296747 929646487 /nfs/dbraw/zinc/64/64/87/929646487.db2.gz FYXKSMBIGBXXRW-GWCFXTLKSA-N 1 0 268.288 1.920 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCCC2(CC[NH+](C)CC2)C1 ZINC000798405168 937355296 /nfs/dbraw/zinc/35/52/96/937355296.db2.gz BGJWPBAXTLAAQE-UHFFFAOYSA-N 1 0 293.371 1.641 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(N[C@@H]2C[NH2+]C[C@H]2CO)c1F ZINC001170781940 929971642 /nfs/dbraw/zinc/97/16/42/929971642.db2.gz LFPPLYZCXSUNFC-GZMMTYOYSA-N 1 0 269.276 1.035 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH2+]C[C@@H]2CO)cc2cccnc21 ZINC001170781306 929972832 /nfs/dbraw/zinc/97/28/32/929972832.db2.gz JXOQURZBDALIFR-PWSUYJOCSA-N 1 0 288.307 1.135 20 5 CDBDRO Cc1cc(Cl)nc(NCCN(C)CC[NH3+])c1[N+](=O)[O-] ZINC001159438671 930109008 /nfs/dbraw/zinc/10/90/08/930109008.db2.gz FWJRYSHIHMMAPA-UHFFFAOYSA-N 1 0 287.751 1.254 20 5 CDBDRO O=[N+]([O-])c1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)ccc1Cl ZINC000131236440 930164745 /nfs/dbraw/zinc/16/47/45/930164745.db2.gz VWVCBDUZEMTBRI-PHIMTYICSA-N 1 0 281.743 1.899 20 5 CDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)[N@H+](C)C1CC1 ZINC000217803943 930180615 /nfs/dbraw/zinc/18/06/15/930180615.db2.gz MWUAUAVLFIEPJZ-VIFPVBQESA-N 1 0 295.314 1.946 20 5 CDBDRO CC[NH2+][C@H](C)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817971114 930656260 /nfs/dbraw/zinc/65/62/60/930656260.db2.gz APQHSBHCVDSMBU-ZJUUUORDSA-N 1 0 266.345 1.826 20 5 CDBDRO COCCOC[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819104139 930759806 /nfs/dbraw/zinc/75/98/06/930759806.db2.gz NOZXKXWKRIVBNW-SMDDNHRTSA-N 1 0 298.339 1.269 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCOC(F)(F)F)c1 ZINC000819259513 930783323 /nfs/dbraw/zinc/78/33/23/930783323.db2.gz WFLLYELNTPGPIJ-SNVBAGLBSA-N 1 0 294.229 1.754 20 5 CDBDRO CC[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)OC ZINC000819321404 930796362 /nfs/dbraw/zinc/79/63/62/930796362.db2.gz GWBHAKQOTACNAC-OLZOCXBDSA-N 1 0 268.313 1.643 20 5 CDBDRO C[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1CO ZINC000886295720 930852559 /nfs/dbraw/zinc/85/25/59/930852559.db2.gz IMJKWHOYMUPTOR-PWSUYJOCSA-N 1 0 265.313 1.440 20 5 CDBDRO Cc1c(Cc2noc([C@@H]3C[C@@H]3[NH3+])n2)cccc1[N+](=O)[O-] ZINC000822862021 931216485 /nfs/dbraw/zinc/21/64/85/931216485.db2.gz GRKNIDQTRBPROR-ZJUUUORDSA-N 1 0 274.280 1.692 20 5 CDBDRO CO[C@H](C)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000224153024 931242755 /nfs/dbraw/zinc/24/27/55/931242755.db2.gz MWGSABNMNGRLMR-SKDRFNHKSA-N 1 0 254.286 1.253 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc(C[C@H]3COCC[NH2+]3)n2)s1 ZINC000823070122 931250147 /nfs/dbraw/zinc/25/01/47/931250147.db2.gz ZPYZXILZQHIOJN-ZETCQYMHSA-N 1 0 296.308 1.237 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[C@]34CC[NH2+]C4)n2)o1 ZINC000823269477 931280972 /nfs/dbraw/zinc/28/09/72/931280972.db2.gz HFFZJMWSCBPWCN-MADCSZMMSA-N 1 0 276.252 1.705 20 5 CDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC001154075518 937500428 /nfs/dbraw/zinc/50/04/28/937500428.db2.gz NAENSIIOLBFQBP-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000825196378 931496533 /nfs/dbraw/zinc/49/65/33/931496533.db2.gz FOVFRHHYELDIQE-KOLCDFICSA-N 1 0 295.314 1.900 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH3+])[C@H]1C ZINC001246545478 931673566 /nfs/dbraw/zinc/67/35/66/931673566.db2.gz WDMFUAMSMPCKSM-JTNHKYCSSA-N 1 0 263.341 1.947 20 5 CDBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1NCC(C)(C)[NH3+] ZINC001171193967 931869400 /nfs/dbraw/zinc/86/94/00/931869400.db2.gz JLHHXTDEWNSWQB-UHFFFAOYSA-N 1 0 281.312 1.839 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ccnc1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001155028774 937623149 /nfs/dbraw/zinc/62/31/49/937623149.db2.gz FRCQPRWAOMUHNG-BQBZGAKWSA-N 1 0 274.683 1.755 20 5 CDBDRO COc1cc(NC[C@@]2(F)CCCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001155115996 937637347 /nfs/dbraw/zinc/63/73/47/937637347.db2.gz FPKXTJZMGSFFNW-CYBMUJFWSA-N 1 0 298.318 1.892 20 5 CDBDRO C[C@@H](NC(=O)Cc1cncn1C)c1ccc([N+](=O)[O-])cc1 ZINC000928245383 933130060 /nfs/dbraw/zinc/13/00/60/933130060.db2.gz OVHYOITUGNVGQO-SNVBAGLBSA-N 1 0 288.307 1.748 20 5 CDBDRO CCN(CC)C(=O)C1([NH2+]CC[N+](=O)[O-])CCCCC1 ZINC000929984225 933293965 /nfs/dbraw/zinc/29/39/65/933293965.db2.gz PPRNZWMDPKUYDD-UHFFFAOYSA-N 1 0 271.361 1.424 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000930322744 933358421 /nfs/dbraw/zinc/35/84/21/933358421.db2.gz AYHPJJDZKPBYLR-ZDUSSCGKSA-N 1 0 250.298 1.077 20 5 CDBDRO O=[N+]([O-])CC[N@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000930745793 933443828 /nfs/dbraw/zinc/44/38/28/933443828.db2.gz KKCODOCXYIXLKW-HDJSIYSDSA-N 1 0 294.351 1.774 20 5 CDBDRO Cc1noc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000931441454 933563870 /nfs/dbraw/zinc/56/38/70/933563870.db2.gz IXIBFTXCHUBWBH-MNOVXSKESA-N 1 0 280.328 1.275 20 5 CDBDRO C[C@@H]1COC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000932493687 933722018 /nfs/dbraw/zinc/72/20/18/933722018.db2.gz CDRNPSWWVOTRLW-ZWNOBZJWSA-N 1 0 293.323 1.548 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935977184 934156328 /nfs/dbraw/zinc/15/63/28/934156328.db2.gz RBYCVVJKSPKSLU-LEWSCRJBSA-N 1 0 291.351 1.765 20 5 CDBDRO Cc1nn(CN2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000779861380 934754718 /nfs/dbraw/zinc/75/47/18/934754718.db2.gz UDMPOTGBFHIMAZ-UHFFFAOYSA-N 1 0 279.344 1.227 20 5 CDBDRO CC(C)[NH2+]Cc1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000090297142 934828649 /nfs/dbraw/zinc/82/86/49/934828649.db2.gz VJCMJYHKEMYAHN-UHFFFAOYSA-N 1 0 275.312 1.733 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CC([C@@H]3CCOC3)C2)cc1 ZINC000795550610 934867068 /nfs/dbraw/zinc/86/70/68/934867068.db2.gz HNTYOTLKPBDLGO-IUODEOHRSA-N 1 0 292.335 1.597 20 5 CDBDRO CO[C@H](C)C[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000795744907 934930616 /nfs/dbraw/zinc/93/06/16/934930616.db2.gz AGCUWBLNUMLSQM-SECBINFHSA-N 1 0 293.327 1.572 20 5 CDBDRO Cc1cc(NC(=O)[C@H]([NH3+])CC(F)F)cc([N+](=O)[O-])c1 ZINC001122599571 937944554 /nfs/dbraw/zinc/94/45/54/937944554.db2.gz NWRFRSPAAQIJIR-SECBINFHSA-N 1 0 273.239 1.824 20 5 CDBDRO Cc1cc(NC(=O)[C@]2(F)CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC001122600812 937945141 /nfs/dbraw/zinc/94/51/41/937945141.db2.gz YNWQUFHXPQCYGC-LBPRGKRZSA-N 1 0 267.260 1.543 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001156850337 938425769 /nfs/dbraw/zinc/42/57/69/938425769.db2.gz ILAIZMASAKHKFV-UHFFFAOYSA-N 1 0 295.302 1.872 20 5 CDBDRO Cc1c(C)c(-n2ccc(C[NH3+])cc2=N)ncc1[N+](=O)[O-] ZINC001156850621 938425973 /nfs/dbraw/zinc/42/59/73/938425973.db2.gz OPTIPBRTTZZCRZ-UHFFFAOYSA-N 1 0 273.296 1.336 20 5 CDBDRO Cc1nc(N(C)[C@]2(C)CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001156957517 938438637 /nfs/dbraw/zinc/43/86/37/938438637.db2.gz WJHUFECWZRDULU-CYBMUJFWSA-N 1 0 264.329 1.877 20 5 CDBDRO Cc1nc(N(C)[C@]2(C)CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001156978066 938442500 /nfs/dbraw/zinc/44/25/00/938442500.db2.gz YFTROFPCILOFIS-GFCCVEGCSA-N 1 0 265.317 1.272 20 5 CDBDRO O=[N+]([O-])c1cnc(-n2ccc3c2CC[NH2+]C3)c(F)c1 ZINC001157444130 938492148 /nfs/dbraw/zinc/49/21/48/938492148.db2.gz FWAMVTSZELWTCD-UHFFFAOYSA-N 1 0 262.244 1.565 20 5 CDBDRO COc1cnc(N[C@H]2C[NH2+]CC[C@H]2F)c([N+](=O)[O-])c1 ZINC001157447813 938493173 /nfs/dbraw/zinc/49/31/73/938493173.db2.gz MWGZHBRNHIRVJA-BDAKNGLRSA-N 1 0 270.264 1.110 20 5 CDBDRO Cc1cc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1 ZINC001157767820 938542857 /nfs/dbraw/zinc/54/28/57/938542857.db2.gz WAEGHKBDMHAKQC-VXGBXAGGSA-N 1 0 297.380 1.318 20 5 CDBDRO CCC1(Nc2nc(C)nc(Cl)c2[N+](=O)[O-])C[NH2+]C1 ZINC001157779189 938544738 /nfs/dbraw/zinc/54/47/38/938544738.db2.gz JPSCXBBXZPSKGV-UHFFFAOYSA-N 1 0 271.708 1.511 20 5 CDBDRO CCOc1nc(N2CC[C@](F)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC001157819516 938551938 /nfs/dbraw/zinc/55/19/38/938551938.db2.gz YOFJIHPGVVTYMH-LBPRGKRZSA-N 1 0 284.291 1.266 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(-n2cc3c(n2)CC[C@@H]([NH3+])C3)n1 ZINC001157987570 938572392 /nfs/dbraw/zinc/57/23/92/938572392.db2.gz GKDJIRNKXHPDFY-LLVKDONJSA-N 1 0 287.323 1.608 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N(C(C)C)[C@H]2CC[NH2+]C2)n1 ZINC001158025253 938576007 /nfs/dbraw/zinc/57/60/07/938576007.db2.gz IQRDHHYUAQQGBW-JTQLQIEISA-N 1 0 295.343 1.279 20 5 CDBDRO Cc1cnc(C[NH3+])n1-c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001158163148 938588629 /nfs/dbraw/zinc/58/86/29/938588629.db2.gz OHVMMIPPKZLLKO-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO Cc1ccc(NC(=O)[C@H](C)[NH+](C)C)c(N)c1[N+](=O)[O-] ZINC001158231888 938597671 /nfs/dbraw/zinc/59/76/71/938597671.db2.gz MQZCAVDVNDXVIO-QMMMGPOBSA-N 1 0 266.301 1.374 20 5 CDBDRO CN(c1nccc(Cl)c1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC001159051217 938697541 /nfs/dbraw/zinc/69/75/41/938697541.db2.gz HFHDRFURYOURFJ-UHFFFAOYSA-N 1 0 258.709 1.817 20 5 CDBDRO [NH3+]Cc1nc2cnccc2n1-c1ncc([N+](=O)[O-])cc1F ZINC001162214877 938962207 /nfs/dbraw/zinc/96/22/07/938962207.db2.gz LNWKUJFTIYIHKO-UHFFFAOYSA-N 1 0 288.242 1.322 20 5 CDBDRO [NH3+]Cc1cn(-c2nc3c(cc2[N+](=O)[O-])CCCC3)cn1 ZINC001162299006 938974339 /nfs/dbraw/zinc/97/43/39/938974339.db2.gz VONRSFZECINGPW-UHFFFAOYSA-N 1 0 273.296 1.513 20 5 CDBDRO COC(=O)c1cnc(N[C@H]2C[C@@](C)([NH3+])C2)c([N+](=O)[O-])c1 ZINC001162327709 939024128 /nfs/dbraw/zinc/02/41/28/939024128.db2.gz CYUDFJUJGUXRAL-LYWQIFSTSA-N 1 0 280.284 1.068 20 5 CDBDRO COc1ncnc(N[C@@]2(C)CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001162340864 939031305 /nfs/dbraw/zinc/03/13/05/939031305.db2.gz HORMSUCQYRAWBM-LBPRGKRZSA-N 1 0 281.316 1.290 20 5 CDBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001162405295 939047391 /nfs/dbraw/zinc/04/73/91/939047391.db2.gz UFXXNFNLXSKDEM-BDAKNGLRSA-N 1 0 294.311 1.458 20 5 CDBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1nccnc1[N+](=O)[O-] ZINC001162454517 939057585 /nfs/dbraw/zinc/05/75/85/939057585.db2.gz OQHPWPQOWVQUQQ-UWVGGRQHSA-N 1 0 265.317 1.432 20 5 CDBDRO [NH3+]Cc1ccnn1-c1ncc2cccc([N+](=O)[O-])c2n1 ZINC001162592742 939097352 /nfs/dbraw/zinc/09/73/52/939097352.db2.gz PGYROOGEZXSTLT-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO O=[N+]([O-])c1cccc(NC[C@@H]2CC[NH2+]C[C@@H]2F)n1 ZINC001162802141 939146144 /nfs/dbraw/zinc/14/61/44/939146144.db2.gz NAYMLQKKESIWSC-IUCAKERBSA-N 1 0 254.265 1.349 20 5 CDBDRO COc1nc(N[C@@]23CCC[C@@H]2[NH2+]CC3)nc(C)c1[N+](=O)[O-] ZINC001162978057 939168092 /nfs/dbraw/zinc/16/80/92/939168092.db2.gz MPSXVRBSCUWPBQ-TVQRCGJNSA-N 1 0 293.327 1.398 20 5 CDBDRO Cc1c(F)cnc(N[C@H]2COCCC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001163067887 939189629 /nfs/dbraw/zinc/18/96/29/939189629.db2.gz DDNNMEXOBVUROX-JTQLQIEISA-N 1 0 296.302 1.228 20 5 CDBDRO Nc1ccnc(N[C@@H]2C[NH2+]Cc3ccsc32)c1[N+](=O)[O-] ZINC001163226557 939229395 /nfs/dbraw/zinc/22/93/95/939229395.db2.gz IZRHVKUWVAGTFP-SECBINFHSA-N 1 0 291.336 1.890 20 5 CDBDRO O=[N+]([O-])c1cccnc1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163315034 939244981 /nfs/dbraw/zinc/24/49/81/939244981.db2.gz JDYIGLRVHWABPF-GWCFXTLKSA-N 1 0 278.312 1.313 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1cccc2ncc([N+](=O)[O-])n21 ZINC001163988944 939374067 /nfs/dbraw/zinc/37/40/67/939374067.db2.gz WREBUYMSNRIMTN-UHFFFAOYSA-N 1 0 272.268 1.195 20 5 CDBDRO COc1nc(N2C[C@@H](C)CC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC001164071553 939405383 /nfs/dbraw/zinc/40/53/83/939405383.db2.gz UEZYMFOLFAJUKW-VHSXEESVSA-N 1 0 280.328 1.562 20 5 CDBDRO C[C@@H]1CC[C@@H](C[NH3+])N(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001164072209 939405706 /nfs/dbraw/zinc/40/57/06/939405706.db2.gz YAJLQKDLOAQXMJ-BDAKNGLRSA-N 1 0 295.299 1.462 20 5 CDBDRO O=[N+]([O-])c1ccc2ncc(-n3cnc4c3C[NH2+]CC4)nc2c1 ZINC001164310465 939451304 /nfs/dbraw/zinc/45/13/04/939451304.db2.gz UDXLVSBWWOHOEL-UHFFFAOYSA-N 1 0 296.290 1.369 20 5 CDBDRO [NH3+][C@@]12C[C@@H]1CCN(c1cc(Cl)ncc1[N+](=O)[O-])C2 ZINC001165328396 939546186 /nfs/dbraw/zinc/54/61/86/939546186.db2.gz UHGORXTUEKOLCE-WRWORJQWSA-N 1 0 268.704 1.571 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H]([NH3+])[C@@H](F)C2)n1 ZINC001166928871 939651078 /nfs/dbraw/zinc/65/10/78/939651078.db2.gz VMEUQLYKAMVRSM-JGVFFNPUSA-N 1 0 274.683 1.437 20 5 CDBDRO Cc1cc(Cl)nc(N(C)C[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC001166954492 939658413 /nfs/dbraw/zinc/65/84/13/939658413.db2.gz AQEAGXUSHBEIMS-SECBINFHSA-N 1 0 284.747 1.997 20 5 CDBDRO C[NH2+]Cc1cccc(Nc2c(C)c([N+](=O)[O-])cc[n+]2[O-])c1 ZINC001167033402 939673907 /nfs/dbraw/zinc/67/39/07/939673907.db2.gz MNLYOXBNKITORB-UHFFFAOYSA-N 1 0 288.307 2.000 20 5 CDBDRO COc1ccc(C(=O)CO[C@@H](C)C[N+](C)(C)C)cc1 ZINC001204805897 939793328 /nfs/dbraw/zinc/79/33/28/939793328.db2.gz JALXTRWPSVOGDG-LBPRGKRZSA-N 1 0 266.361 1.989 20 5 CDBDRO C[C@@]1([NH3+])CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000405815778 940998811 /nfs/dbraw/zinc/99/88/11/940998811.db2.gz IOGJGZMBMZSQOB-GFCCVEGCSA-N 1 0 283.715 1.812 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@H]1CCC[NH2+]C1 ZINC001217860200 941024666 /nfs/dbraw/zinc/02/46/66/941024666.db2.gz PHXYEAMMKDJTGU-LBPRGKRZSA-N 1 0 294.307 1.650 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCc1nc2ncccc2o1 ZINC001222933345 941642354 /nfs/dbraw/zinc/64/23/54/941642354.db2.gz BSYIKUHPQXQFNX-JTQLQIEISA-N 1 0 250.322 1.834 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCc1ccc(C(N)=O)cc1 ZINC001223104658 941658269 /nfs/dbraw/zinc/65/82/69/941658269.db2.gz CILRWBOKCIUWCF-LLVKDONJSA-O 1 0 251.350 1.397 20 5 CDBDRO CCOC(=O)[C@H](C)[C@@H](OCC[N+](C)(C)C)C(F)(F)F ZINC001224771996 941790192 /nfs/dbraw/zinc/79/01/92/941790192.db2.gz VLDOCRZVVSRKPM-NXEZZACHSA-N 1 0 286.314 1.839 20 5 CDBDRO O=[N+]([O-])C[C@H](OCCC[NH+]1CCCCC1)C1CC1 ZINC001224859114 941799086 /nfs/dbraw/zinc/79/90/86/941799086.db2.gz HACRGFYILDQCRJ-ZDUSSCGKSA-N 1 0 256.346 1.934 20 5 CDBDRO CC(C)[NH+]1CCC(Oc2[nH]ccc(=O)c2[N+](=O)[O-])CC1 ZINC001225667118 941897089 /nfs/dbraw/zinc/89/70/89/941897089.db2.gz PSVYLTVAENTILG-UHFFFAOYSA-N 1 0 281.312 1.947 20 5 CDBDRO Cc1ccnc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2N3C)c1[N+](=O)[O-] ZINC001226116653 941953635 /nfs/dbraw/zinc/95/36/35/941953635.db2.gz SRDQQCGFEMWTHA-WCQGTBRESA-N 1 0 291.307 1.481 20 5 CDBDRO CCOC(=O)c1ccc(O[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001227298790 942164877 /nfs/dbraw/zinc/16/48/77/942164877.db2.gz NNDLJDNWASSWRH-LLVKDONJSA-N 1 0 294.307 1.854 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2scnc21 ZINC001227949040 942247317 /nfs/dbraw/zinc/24/73/17/942247317.db2.gz JWMAEZXSAHEZII-SNVBAGLBSA-N 1 0 295.384 1.659 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OC1N=NC(=O)N1c1ccccc1 ZINC001228130812 942272576 /nfs/dbraw/zinc/27/25/76/942272576.db2.gz FXVBTBGJGOEOKA-LLVKDONJSA-O 1 0 277.348 1.446 20 5 CDBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cnccc1[N+](=O)[O-])C2 ZINC001228879497 942387556 /nfs/dbraw/zinc/38/75/56/942387556.db2.gz HEOXTBBMSOBHNC-JGPRNRPPSA-N 1 0 263.297 1.994 20 5 CDBDRO Cc1ccnc(Cl)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228987267 942402773 /nfs/dbraw/zinc/40/27/73/942402773.db2.gz VCFHJSMJNSBTSN-SNVBAGLBSA-N 1 0 287.767 1.406 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)C1 ZINC001230230448 942592298 /nfs/dbraw/zinc/59/22/98/942592298.db2.gz RIBRPEQYZFKIOX-MRVPVSSYSA-N 1 0 277.284 1.339 20 5 CDBDRO CCOC(=O)c1c(C)[nH]c(=O)cc1O[C@@H](C)C[N+](C)(C)C ZINC001231160292 942803452 /nfs/dbraw/zinc/80/34/52/942803452.db2.gz MXTLWKMTLZXHQY-JTQLQIEISA-O 1 0 297.375 1.746 20 5 CDBDRO CN1CCO[C@H](COc2cc(F)c([N+](=O)[O-])c(F)c2)C1 ZINC001233755472 943649598 /nfs/dbraw/zinc/64/95/98/943649598.db2.gz ZLBNDEBWHYPKFB-VIFPVBQESA-N 1 0 288.250 1.582 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](C)Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001262696907 943673723 /nfs/dbraw/zinc/67/37/23/943673723.db2.gz WKCMAEFFYVCCOK-VIFPVBQESA-N 1 0 267.333 1.713 20 5 CDBDRO Cc1nccc([N+](=O)[O-])c1O[C@H](C)C[N+](C)(C)C ZINC001234901306 943968630 /nfs/dbraw/zinc/96/86/30/943968630.db2.gz ONROSRWYSUGIOH-SECBINFHSA-N 1 0 254.310 1.772 20 5 CDBDRO CCc1ccc(C(=O)NCC[C@@H](C)[NH2+]C)cc1[N+](=O)[O-] ZINC001261460591 946126800 /nfs/dbraw/zinc/12/68/00/946126800.db2.gz JAGDTPYXHDZWAW-SNVBAGLBSA-N 1 0 279.340 1.885 20 5 CDBDRO CCC[C@](C)(O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001262565297 946715461 /nfs/dbraw/zinc/71/54/61/946715461.db2.gz HVEQBULGBLGULI-KGLIPLIRSA-N 1 0 282.340 1.769 20 5 CDBDRO CC(=O)NC[C@H](C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254549770 947520785 /nfs/dbraw/zinc/52/07/85/947520785.db2.gz ZDSZPKMFPUBSAC-VXGBXAGGSA-N 1 0 293.367 1.888 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCOC[C@@](C)(O)C1 ZINC001254552608 947521769 /nfs/dbraw/zinc/52/17/69/947521769.db2.gz NJYPLBPYXRUXMQ-WFASDCNBSA-N 1 0 294.351 1.609 20 5 CDBDRO Cc1cnc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)nc1 ZINC001254565137 947527405 /nfs/dbraw/zinc/52/74/05/947527405.db2.gz CABFGMBYTAUDEH-ZDUSSCGKSA-N 1 0 284.319 1.950 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCCCCO)C2 ZINC001254569887 947531448 /nfs/dbraw/zinc/53/14/48/947531448.db2.gz ZUEIWUBWWBFWCB-ZDUSSCGKSA-N 1 0 264.325 1.814 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCC[C@@H]1O)C2 ZINC001254585395 947539837 /nfs/dbraw/zinc/53/98/37/947539837.db2.gz WMHNBDSLCPGADD-YUTCNCBUSA-N 1 0 262.309 1.565 20 5 CDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254582003 947540155 /nfs/dbraw/zinc/54/01/55/947540155.db2.gz RPYMUZVLBRNONF-MRVWCRGKSA-N 1 0 276.336 1.811 20 5 CDBDRO C[C@@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@@H]1O ZINC001254593959 947545218 /nfs/dbraw/zinc/54/52/18/947545218.db2.gz OKACKFJKESWSKR-KMUNFCNLSA-N 1 0 276.336 1.765 20 5 CDBDRO CC1(O)CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254600617 947549824 /nfs/dbraw/zinc/54/98/24/947549824.db2.gz SYGGZDJIPZIYEH-AWEZNQCLSA-N 1 0 276.336 1.909 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@H](O)CC1)C2 ZINC001254600845 947550217 /nfs/dbraw/zinc/55/02/17/947550217.db2.gz VVPHNJCQSJAYKT-GJZGRUSLSA-N 1 0 276.336 1.909 20 5 CDBDRO C[N@H+](CCC1OCCO1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603813 947552342 /nfs/dbraw/zinc/55/23/42/947552342.db2.gz QXYYFESRAMCIQE-AWEZNQCLSA-N 1 0 292.335 1.757 20 5 CDBDRO C[N@H+](CC1COC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603628 947553403 /nfs/dbraw/zinc/55/34/03/947553403.db2.gz OXZFSILLLJSJDA-CQSZACIVSA-N 1 0 262.309 1.640 20 5 CDBDRO CC(=O)[C@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254608635 947556828 /nfs/dbraw/zinc/55/68/28/947556828.db2.gz RLVLPJMEPYECBU-WFASDCNBSA-N 1 0 274.320 1.973 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH3+])[C@H]1C ZINC001246547626 948253867 /nfs/dbraw/zinc/25/38/67/948253867.db2.gz FNTLUIFQBVVHMU-DMDPSCGWSA-N 1 0 263.341 1.947 20 5 CDBDRO N[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1(F)F ZINC001246603315 948338524 /nfs/dbraw/zinc/33/85/24/948338524.db2.gz YLJFOWHDSBKELK-KXUCPTDWSA-N 1 0 263.288 1.100 20 5 CDBDRO CC[NH2+]CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001329499445 955951897 /nfs/dbraw/zinc/95/18/97/955951897.db2.gz RGWFHSHCRQJJDA-UHFFFAOYSA-N 1 0 265.313 1.556 20 5 CDBDRO C[C@@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC001336976489 960803257 /nfs/dbraw/zinc/80/32/57/960803257.db2.gz FFNZIPYHZZGQTR-CDMKHQONSA-N 1 0 290.323 1.412 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1C=CCC1 ZINC001338489843 961832536 /nfs/dbraw/zinc/83/25/36/961832536.db2.gz XRJBBPJFTMFBAB-NWDGAFQWSA-N 1 0 278.308 1.643 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N1CC[NH+](C(C)C)CC1 ZINC001338680353 961946721 /nfs/dbraw/zinc/94/67/21/961946721.db2.gz ADEGSWOSCZBGGS-UHFFFAOYSA-N 1 0 264.329 1.829 20 5 CDBDRO C[C@H](NC(=O)[C@@]1(F)CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001342592378 963773310 /nfs/dbraw/zinc/77/33/10/963773310.db2.gz RXLYQUBBCKCOHY-TVQRCGJNSA-N 1 0 281.287 1.474 20 5 CDBDRO Cc1cc(NCC[N+](=O)[O-])ccc1N1CC[NH+](C)CC1 ZINC001345194476 964627044 /nfs/dbraw/zinc/62/70/44/964627044.db2.gz CNEUIXVZIAQLPJ-UHFFFAOYSA-N 1 0 278.356 1.435 20 5 CDBDRO C[NH2+][C@@H](C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000848407389 969076037 /nfs/dbraw/zinc/07/60/37/969076037.db2.gz NGTLOEWMNVBGIU-ZETCQYMHSA-N 1 0 271.704 1.472 20 5 CDBDRO CC(C)(CCc1noc([C@H]2C[C@]23CCC[NH2+]C3)n1)[N+](=O)[O-] ZINC000848632237 969209518 /nfs/dbraw/zinc/20/95/18/969209518.db2.gz PNNDEPWFZPAEHW-YGRLFVJLSA-N 1 0 294.355 1.915 20 5 CDBDRO C[C@](N)(C(=O)N1C[C@@H](F)[C@@H](F)C1)c1cccc([N+](=O)[O-])c1 ZINC001358429783 969735795 /nfs/dbraw/zinc/73/57/95/969735795.db2.gz ZBVUHQPOWMDGOO-NTZNESFSSA-N 1 0 299.277 1.287 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001521546507 970316338 /nfs/dbraw/zinc/31/63/38/970316338.db2.gz JLVZJRILYGLKRF-SNVBAGLBSA-N 1 0 297.330 1.910 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NCCC[NH+](C)C ZINC001515300994 976424595 /nfs/dbraw/zinc/42/45/95/976424595.db2.gz RIRFORKSGRGRPW-UHFFFAOYSA-N 1 0 254.290 1.362 20 5 CDBDRO CC[N@@H+]1CCN(c2nc(C)ncc2[N+](=O)[O-])C(C)(C)C1 ZINC001158563032 1163214041 /nfs/dbraw/zinc/21/40/41/1163214041.db2.gz SMCMDTOXWJESRD-UHFFFAOYSA-N 1 0 279.344 1.614 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001575459922 1171176226 /nfs/dbraw/zinc/17/62/26/1171176226.db2.gz DTVPCICQGQVTJY-JTQLQIEISA-N 1 0 284.291 1.839 20 5 CDBDRO CC(C)CC[C@H]([NH3+])C(=O)Nc1c([N+](=O)[O-])ncn1C ZINC001575560694 1171203389 /nfs/dbraw/zinc/20/33/89/1171203389.db2.gz LEOYXHAFXNALHF-QMMMGPOBSA-N 1 0 269.305 1.030 20 5 CDBDRO Nc1c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC000275825760 341977500 /nfs/dbraw/zinc/97/75/00/341977500.db2.gz XAIXRUUJFPPLLD-RKDXNWHRSA-N 1 0 296.302 1.316 20 5 CDBDRO C[N@@H+]1CC[C@@]2(CCN(c3cccnc3[N+](=O)[O-])C2)C1 ZINC000589879246 342516087 /nfs/dbraw/zinc/51/60/87/342516087.db2.gz VPFONTMVOCKYDI-CYBMUJFWSA-N 1 0 262.313 1.522 20 5 CDBDRO CN(C(=O)c1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000601232231 342537525 /nfs/dbraw/zinc/53/75/25/342537525.db2.gz ORSBGHSSUJMPHK-JTQLQIEISA-N 1 0 295.314 1.900 20 5 CDBDRO C[NH2+]CCC1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000070189167 361770234 /nfs/dbraw/zinc/77/02/34/361770234.db2.gz ZYDBBODUJNXATM-UHFFFAOYSA-N 1 0 294.355 1.395 20 5 CDBDRO C[NH2+]CCCn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000168336752 342073872 /nfs/dbraw/zinc/07/38/72/342073872.db2.gz WIAAYOTVMXDJKV-UHFFFAOYSA-N 1 0 290.117 1.129 20 5 CDBDRO CCC[N@H+](C)CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000609316281 342102137 /nfs/dbraw/zinc/10/21/37/342102137.db2.gz PCDOMBWYBYENEJ-UHFFFAOYSA-N 1 0 265.313 1.553 20 5 CDBDRO Cc1ccc(NC(=O)NC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000591270306 342623663 /nfs/dbraw/zinc/62/36/63/342623663.db2.gz AWJLUGXVQFXISF-QMMMGPOBSA-N 1 0 252.274 1.372 20 5 CDBDRO Cc1cc(NC(=O)NCC[NH2+]C2CC2)ccc1[N+](=O)[O-] ZINC000591296406 342624410 /nfs/dbraw/zinc/62/44/10/342624410.db2.gz HUNPXCLPASILJJ-UHFFFAOYSA-N 1 0 278.312 1.777 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[NH3+] ZINC000591307973 342624832 /nfs/dbraw/zinc/62/48/32/342624832.db2.gz SBJQOYWXAQXSGE-QMMMGPOBSA-N 1 0 266.301 1.626 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3CC[NH2+][C@H]3C2)s1 ZINC000591439398 342632099 /nfs/dbraw/zinc/63/20/99/342632099.db2.gz ULGVUOPOGQPJGJ-SFYZADRCSA-N 1 0 254.315 1.240 20 5 CDBDRO Cc1ccc(NC(=O)[C@H]2[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000591672487 342641397 /nfs/dbraw/zinc/64/13/97/342641397.db2.gz CTVAHEMYCJULNY-LLVKDONJSA-N 1 0 263.297 1.840 20 5 CDBDRO CCCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(N)=O ZINC000048047728 342153932 /nfs/dbraw/zinc/15/39/32/342153932.db2.gz ZKKUSJUJZLMILT-UHFFFAOYSA-N 1 0 295.339 1.561 20 5 CDBDRO O=[N+]([O-])c1cccc(-c2cnn(CC3C[NH2+]C3)c2)c1 ZINC000592164542 342671067 /nfs/dbraw/zinc/67/10/67/342671067.db2.gz LOCOLQNXLLZJLA-UHFFFAOYSA-N 1 0 258.281 1.678 20 5 CDBDRO CC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](C)O ZINC000592430990 342695344 /nfs/dbraw/zinc/69/53/44/342695344.db2.gz VXYHVUVVKNXLDB-SUHUHFCYSA-N 1 0 298.339 1.084 20 5 CDBDRO CC(C)[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000592543886 342708670 /nfs/dbraw/zinc/70/86/70/342708670.db2.gz UQLATLXSJWRUOH-GFCCVEGCSA-N 1 0 295.314 1.804 20 5 CDBDRO CN(CC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])nc1 ZINC000593515717 342805502 /nfs/dbraw/zinc/80/55/02/342805502.db2.gz IJVGVTWVWVGRNP-UHFFFAOYSA-N 1 0 264.329 1.912 20 5 CDBDRO CCc1nn(C)c(N(C)CC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000593516183 342805518 /nfs/dbraw/zinc/80/55/18/342805518.db2.gz NJNQTYPBUBCIFW-UHFFFAOYSA-N 1 0 295.387 1.813 20 5 CDBDRO Cc1n[nH]c(C(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])c1[N+](=O)[O-] ZINC000593917407 342851142 /nfs/dbraw/zinc/85/11/42/342851142.db2.gz VQEQSJOAICKLNV-WPRPVWTQSA-N 1 0 295.343 1.216 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1COCCN1)CCC2 ZINC000600707692 342243312 /nfs/dbraw/zinc/24/33/12/342243312.db2.gz ACVNCAAGWGEEPX-WFASDCNBSA-N 1 0 291.351 1.550 20 5 CDBDRO CN(CCOCC[NH3+])Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000600735695 342246291 /nfs/dbraw/zinc/24/62/91/342246291.db2.gz NLSUQBJKZZSXRK-UHFFFAOYSA-N 1 0 294.311 1.143 20 5 CDBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000609382333 342263779 /nfs/dbraw/zinc/26/37/79/342263779.db2.gz AOIPJMGGOHCTHI-JTQLQIEISA-N 1 0 278.312 1.137 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000046444433 342280860 /nfs/dbraw/zinc/28/08/60/342280860.db2.gz SHPUBNIMGYSIRC-GFCCVEGCSA-N 1 0 266.297 1.430 20 5 CDBDRO CC(C)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000126037628 187212530 /nfs/dbraw/zinc/21/25/30/187212530.db2.gz ZKSSLJDSNXXUMZ-UHFFFAOYSA-N 1 0 277.324 1.824 20 5 CDBDRO Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000108341277 349736185 /nfs/dbraw/zinc/73/61/85/349736185.db2.gz SFKHRYZYYKRMGS-GFCCVEGCSA-N 1 0 291.351 1.975 20 5 CDBDRO COC[C@@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595045013 342999046 /nfs/dbraw/zinc/99/90/46/342999046.db2.gz AYHLKYWBGMIYKY-VHSXEESVSA-N 1 0 284.312 1.261 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C/C=C/CO ZINC000595069770 343002114 /nfs/dbraw/zinc/00/21/14/343002114.db2.gz KUIGINFMCFAPKJ-FSIBCCDJSA-N 1 0 266.297 1.803 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000595261748 343014522 /nfs/dbraw/zinc/01/45/22/343014522.db2.gz BUQZDTAGNWPJHW-UHFFFAOYSA-N 1 0 294.355 1.516 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000595264456 343015677 /nfs/dbraw/zinc/01/56/77/343015677.db2.gz YIEWEGAXSQRXPA-SECBINFHSA-N 1 0 266.301 1.002 20 5 CDBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CNC(=O)C1 ZINC000595286673 343023200 /nfs/dbraw/zinc/02/32/00/343023200.db2.gz GBFDUXZDVIJILM-JTQLQIEISA-N 1 0 263.297 1.163 20 5 CDBDRO Cc1noc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000595334808 343028928 /nfs/dbraw/zinc/02/89/28/343028928.db2.gz VZXRKYZAULQRKL-LBPRGKRZSA-N 1 0 294.355 1.809 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H]1CC[NH3+] ZINC000404276925 349769913 /nfs/dbraw/zinc/76/99/13/349769913.db2.gz NRYHIWSDAPGXRN-UWVGGRQHSA-N 1 0 281.312 1.777 20 5 CDBDRO COc1cc(CN(C)CCC[NH3+])c([N+](=O)[O-])cc1OC ZINC000515061819 362043033 /nfs/dbraw/zinc/04/30/33/362043033.db2.gz ZIUDZUYTCUJILI-UHFFFAOYSA-N 1 0 283.328 1.393 20 5 CDBDRO Cc1noc(CN(C)Cc2c[nH]cn2)c1[N+](=O)[O-] ZINC000595593282 343096134 /nfs/dbraw/zinc/09/61/34/343096134.db2.gz UIDHEGRCGHSJEQ-UHFFFAOYSA-N 1 0 251.246 1.246 20 5 CDBDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000078662520 342339438 /nfs/dbraw/zinc/33/94/38/342339438.db2.gz JFCIITATEUTQRF-AWEZNQCLSA-N 1 0 296.323 1.653 20 5 CDBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000595674542 343129039 /nfs/dbraw/zinc/12/90/39/343129039.db2.gz LERDUMWFLUYKEZ-YPMHNXCESA-N 1 0 282.344 1.274 20 5 CDBDRO COC[C@@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000069911779 342347185 /nfs/dbraw/zinc/34/71/85/342347185.db2.gz NYLIFLKTPGMORW-LBPRGKRZSA-N 1 0 254.286 1.082 20 5 CDBDRO COc1ccc(OCCN(C)CC(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC000595898851 343186166 /nfs/dbraw/zinc/18/61/66/343186166.db2.gz MQIUEPDTCHIOMI-UHFFFAOYSA-N 1 0 297.355 1.651 20 5 CDBDRO COc1ccc(CC(=O)N(C)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000595947629 343206330 /nfs/dbraw/zinc/20/63/30/343206330.db2.gz SSKVYGPAEVNBBV-UHFFFAOYSA-N 1 0 295.339 1.342 20 5 CDBDRO Cc1cc(NC[C@@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])s1 ZINC000596195061 343254292 /nfs/dbraw/zinc/25/42/92/343254292.db2.gz DTVZNSNHVOJXLJ-NSHDSACASA-N 1 0 271.342 1.443 20 5 CDBDRO C[C@@H](CCNc1ccc(N)c([N+](=O)[O-])n1)[NH+]1CCCCC1 ZINC000596194897 343254345 /nfs/dbraw/zinc/25/43/45/343254345.db2.gz RZVUVZCFWWJUKH-NSHDSACASA-N 1 0 293.371 1.670 20 5 CDBDRO C[NH2+]C[C@H](C)NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000596105259 343228405 /nfs/dbraw/zinc/22/84/05/343228405.db2.gz IQBOHJLMDGWPFV-QMMMGPOBSA-N 1 0 289.282 1.894 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596106605 343229149 /nfs/dbraw/zinc/22/91/49/343229149.db2.gz UMGZYCPSOAEWOT-NSHDSACASA-N 1 0 292.339 1.224 20 5 CDBDRO O=[N+]([O-])c1ccc2oc(CN3CCC[C@H](O)C3)nc2c1 ZINC000083127357 342377612 /nfs/dbraw/zinc/37/76/12/342377612.db2.gz GJWDUNKKIYLVSH-JTQLQIEISA-N 1 0 277.280 1.693 20 5 CDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[C@H](C)[NH+](C)C ZINC000596433919 343320486 /nfs/dbraw/zinc/32/04/86/343320486.db2.gz VRZKQIBJVIFOOW-JTQLQIEISA-N 1 0 294.355 1.707 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000596337081 343297865 /nfs/dbraw/zinc/29/78/65/343297865.db2.gz UBXYQZCTVYNLMA-MRVPVSSYSA-N 1 0 280.332 1.082 20 5 CDBDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000597221396 343484974 /nfs/dbraw/zinc/48/49/74/343484974.db2.gz OTCDQHUPYPKBDK-PHIMTYICSA-N 1 0 294.307 1.645 20 5 CDBDRO C[NH+](C)CC1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000597709288 343606556 /nfs/dbraw/zinc/60/65/56/343606556.db2.gz STTQOTKQSLOYTE-UHFFFAOYSA-N 1 0 291.351 1.547 20 5 CDBDRO CCC(CC)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000111831192 365797164 /nfs/dbraw/zinc/79/71/64/365797164.db2.gz DGPXPKXCMXIQHV-UHFFFAOYSA-N 1 0 283.303 1.981 20 5 CDBDRO C[N@H+](CCC(F)(F)F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304265306 529874250 /nfs/dbraw/zinc/87/42/50/529874250.db2.gz AOKFAPQZDUVWET-VIFPVBQESA-N 1 0 296.249 1.036 20 5 CDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000598668105 343871310 /nfs/dbraw/zinc/87/13/10/343871310.db2.gz QFAAZODHELMRAT-QPUJVOFHSA-N 1 0 281.337 1.610 20 5 CDBDRO C[C@@]1(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[NH2+]C1 ZINC000598915141 343919534 /nfs/dbraw/zinc/91/95/34/343919534.db2.gz IMGLZTWDSLWVTG-GFCCVEGCSA-N 1 0 282.275 1.607 20 5 CDBDRO C[N@@H+]1CCCC[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000599139819 343960041 /nfs/dbraw/zinc/96/00/41/343960041.db2.gz QMHBYILCNSMYIB-SECBINFHSA-N 1 0 270.358 1.617 20 5 CDBDRO Cc1cccc(NC[C@@H]2COCC[NH2+]2)c1[N+](=O)[O-] ZINC000235892390 362320222 /nfs/dbraw/zinc/32/02/22/362320222.db2.gz SFTKRHFBPJSVJX-SNVBAGLBSA-N 1 0 251.286 1.304 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+](C)C ZINC000602167404 344366016 /nfs/dbraw/zinc/36/60/16/344366016.db2.gz LZSVYDRADYLWFR-MRVPVSSYSA-N 1 0 266.301 1.525 20 5 CDBDRO CC(C)[NH+]1CCC(C(=O)Nc2c([N+](=O)[O-])cnn2C)CC1 ZINC000602306698 344394857 /nfs/dbraw/zinc/39/48/57/344394857.db2.gz ARDPDLBPKPMWNW-UHFFFAOYSA-N 1 0 295.343 1.387 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000602550201 344464045 /nfs/dbraw/zinc/46/40/45/344464045.db2.gz KRMOQONKZOFEAU-LLVKDONJSA-N 1 0 293.323 1.362 20 5 CDBDRO Nc1c(F)cccc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000602567753 344483845 /nfs/dbraw/zinc/48/38/45/344483845.db2.gz GHEQOSGQLDEEOC-UHFFFAOYSA-N 1 0 279.275 1.302 20 5 CDBDRO Cn1cc(C[N@@H+]2CC[C@H]3CCC[C@H]32)c([N+](=O)[O-])n1 ZINC000602623522 344501023 /nfs/dbraw/zinc/50/10/23/344501023.db2.gz HLLGHNJMZFIVMF-MWLCHTKSSA-N 1 0 250.302 1.703 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000602800993 344590667 /nfs/dbraw/zinc/59/06/67/344590667.db2.gz KJAXIYNYSFHNLB-OLZOCXBDSA-N 1 0 296.371 1.583 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCSC(C)(C)C1 ZINC000602781343 344596653 /nfs/dbraw/zinc/59/66/53/344596653.db2.gz SRHDGUPJXZHVJS-UHFFFAOYSA-N 1 0 284.385 1.927 20 5 CDBDRO CCC([NH3+])(CC)CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000133494605 362411744 /nfs/dbraw/zinc/41/17/44/362411744.db2.gz LXPDJPUIBADURY-UHFFFAOYSA-N 1 0 280.328 1.623 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000602812016 344604235 /nfs/dbraw/zinc/60/42/35/344604235.db2.gz RPKOUBORPYAKGD-GXSJLCMTSA-N 1 0 268.317 1.114 20 5 CDBDRO CO[C@@](C)([C@H](C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602843884 344622674 /nfs/dbraw/zinc/62/26/74/344622674.db2.gz KXLLHZIONRHSSZ-HZMBPMFUSA-N 1 0 296.371 1.893 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+](C1CC1)C1CC1 ZINC000602916477 344648465 /nfs/dbraw/zinc/64/84/65/344648465.db2.gz UVBAFTKBZPPXCR-UHFFFAOYSA-N 1 0 250.302 1.727 20 5 CDBDRO CC(C)[NH2+][C@H]1CCCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000604540057 344899251 /nfs/dbraw/zinc/89/92/51/344899251.db2.gz VZNGCMZHGAEUIZ-JTQLQIEISA-N 1 0 267.333 1.295 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H](O)CC2)c1 ZINC000293133886 362531507 /nfs/dbraw/zinc/53/15/07/362531507.db2.gz NBJRBJOZYNHTNN-ZIAGYGMSSA-N 1 0 280.324 1.475 20 5 CDBDRO CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000293378073 362555452 /nfs/dbraw/zinc/55/54/52/362555452.db2.gz JRJOGJPUJGWLKB-GXFFZTMASA-N 1 0 268.313 1.331 20 5 CDBDRO CNC(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000051505298 345161459 /nfs/dbraw/zinc/16/14/59/345161459.db2.gz HGHVAXAFRUINFV-UHFFFAOYSA-N 1 0 291.351 1.861 20 5 CDBDRO Cc1nn(C)c(N2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000052472645 345244815 /nfs/dbraw/zinc/24/48/15/345244815.db2.gz HSVXSCVIRFBTCR-UHFFFAOYSA-N 1 0 279.344 1.169 20 5 CDBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000072672824 345350952 /nfs/dbraw/zinc/35/09/52/345350952.db2.gz OMLLJFRGMYLHEZ-CYBMUJFWSA-N 1 0 294.355 1.759 20 5 CDBDRO Cc1cc(C(=O)N[C@]2(C)CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000230732825 345440691 /nfs/dbraw/zinc/44/06/91/345440691.db2.gz PAEUFVWGMZMPCH-CYBMUJFWSA-N 1 0 263.297 1.385 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000046408777 345640071 /nfs/dbraw/zinc/64/00/71/345640071.db2.gz GYFOFMTYLUOFKA-NSHDSACASA-N 1 0 277.324 1.809 20 5 CDBDRO O=C(NCC[NH2+]C1CCCCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000127481801 187310272 /nfs/dbraw/zinc/31/02/72/187310272.db2.gz QMBIKWVRZHEUHM-UHFFFAOYSA-N 1 0 294.355 1.965 20 5 CDBDRO CC(C)C[C@@H]([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000130080102 346196289 /nfs/dbraw/zinc/19/62/89/346196289.db2.gz SOTUAAYDAUWHSE-LLVKDONJSA-N 1 0 251.286 1.907 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000085362287 179034102 /nfs/dbraw/zinc/03/41/02/179034102.db2.gz ITPAFXVQKWRCKD-UHFFFAOYSA-N 1 0 285.731 1.882 20 5 CDBDRO CS[C@@H]1CN(c2cccnc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000611242379 346716691 /nfs/dbraw/zinc/71/66/91/346716691.db2.gz NWQSSLHQPXLHGG-GHMZBOCLSA-N 1 0 282.369 1.472 20 5 CDBDRO C[NH+](C)C1CN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000612448851 347175349 /nfs/dbraw/zinc/17/53/49/347175349.db2.gz TVVCOEUTQPAAAJ-UHFFFAOYSA-N 1 0 273.296 1.288 20 5 CDBDRO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293623053 362786782 /nfs/dbraw/zinc/78/67/82/362786782.db2.gz HDIXQUUFGOJFNM-CABZTGNLSA-N 1 0 292.339 1.496 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[C@H]1[NH3+] ZINC000122507550 347651055 /nfs/dbraw/zinc/65/10/55/347651055.db2.gz SWSSQHFNJBTDBU-RKDXNWHRSA-N 1 0 267.285 1.387 20 5 CDBDRO C[NH+]1CC2(C1)CCN(C(=O)Cc1ccccc1[N+](=O)[O-])C2 ZINC000618920858 348587569 /nfs/dbraw/zinc/58/75/69/348587569.db2.gz CLTMNJFVIUIPPA-UHFFFAOYSA-N 1 0 289.335 1.301 20 5 CDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000129355455 362931419 /nfs/dbraw/zinc/93/14/19/362931419.db2.gz RLNOORODEVRWSN-VXGBXAGGSA-N 1 0 250.298 1.844 20 5 CDBDRO CC(C)[C@@H](CCO)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000273987623 192390866 /nfs/dbraw/zinc/39/08/66/192390866.db2.gz JINGMWSYGIOVJT-LLVKDONJSA-N 1 0 295.339 1.530 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000090848266 180044695 /nfs/dbraw/zinc/04/46/95/180044695.db2.gz ZKABKKVQQPIOJF-FZMZJTMJSA-N 1 0 280.324 1.705 20 5 CDBDRO CCO[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC000252768033 350461167 /nfs/dbraw/zinc/46/11/67/350461167.db2.gz GWQBJTIOBVMUJL-RBSFLKMASA-N 1 0 294.351 1.919 20 5 CDBDRO COC[C@@](C)([NH3+])CNc1ncc([N+](=O)[O-])cc1C ZINC000271380458 191107847 /nfs/dbraw/zinc/10/78/47/191107847.db2.gz XHDNLTWDFVZWFP-NSHDSACASA-N 1 0 254.290 1.074 20 5 CDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000110794052 186325095 /nfs/dbraw/zinc/32/50/95/186325095.db2.gz ZWKTXEZFTWLIHM-SNVBAGLBSA-N 1 0 263.297 1.324 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCC[C@@H]1CC[NH2+]C1 ZINC000110796110 186325631 /nfs/dbraw/zinc/32/56/31/186325631.db2.gz KRMTZEMGIHPNTG-NSHDSACASA-N 1 0 277.324 1.253 20 5 CDBDRO CCCNC(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000036780827 363011713 /nfs/dbraw/zinc/01/17/13/363011713.db2.gz LURXAYBJQWSUQK-SNVBAGLBSA-N 1 0 265.313 1.772 20 5 CDBDRO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000036794692 363050788 /nfs/dbraw/zinc/05/07/88/363050788.db2.gz KLJRZZLNOPBJSH-UWVGGRQHSA-N 1 0 265.313 1.770 20 5 CDBDRO CCCN(c1ccc([N+](=O)[O-])c(C)n1)[C@H]1CC[NH2+]C1 ZINC000124120782 187123416 /nfs/dbraw/zinc/12/34/16/187123416.db2.gz BUHNBNNQBPXBOI-NSHDSACASA-N 1 0 264.329 1.877 20 5 CDBDRO CCC[NH2+]CCNc1c([N+](=O)[O-])nc(C)n1CC ZINC000261574732 535174473 /nfs/dbraw/zinc/17/44/73/535174473.db2.gz MWLDCWNQKLSMTC-UHFFFAOYSA-N 1 0 255.322 1.531 20 5 CDBDRO COc1cc(C(=O)N[C@H](C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000295159198 199379050 /nfs/dbraw/zinc/37/90/50/199379050.db2.gz DPIKRSPLNBAEBW-SECBINFHSA-N 1 0 281.312 1.461 20 5 CDBDRO Cc1c(CC(=O)NC[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000292382582 198267654 /nfs/dbraw/zinc/26/76/54/198267654.db2.gz MYSZIQXLWAGPTN-LLVKDONJSA-N 1 0 293.367 1.760 20 5 CDBDRO CNC(=O)CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000155262497 188194671 /nfs/dbraw/zinc/19/46/71/188194671.db2.gz MHEKSDMZPLQAGJ-UHFFFAOYSA-N 1 0 279.340 1.861 20 5 CDBDRO COC1(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000163398611 188606123 /nfs/dbraw/zinc/60/61/23/188606123.db2.gz OQTPFLLDSRGQGD-UHFFFAOYSA-N 1 0 293.323 1.610 20 5 CDBDRO COC[C@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000234839549 358486982 /nfs/dbraw/zinc/48/69/82/358486982.db2.gz OPFHISBCUSNENY-KOLCDFICSA-N 1 0 254.286 1.253 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)c(F)c1 ZINC000411994161 363402974 /nfs/dbraw/zinc/40/29/74/363402974.db2.gz MUDFLOFXWYFBFF-BXUZGUMPSA-N 1 0 298.314 1.611 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)cc1 ZINC000411984276 363396848 /nfs/dbraw/zinc/39/68/48/363396848.db2.gz CKWYEWKZVAPKOJ-TZMCWYRMSA-N 1 0 280.324 1.472 20 5 CDBDRO C[C@H](CCCC[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000336819327 356280489 /nfs/dbraw/zinc/28/04/89/356280489.db2.gz ZGYORCZOJWTHEH-SNVBAGLBSA-N 1 0 265.313 1.842 20 5 CDBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(=O)[nH]n1 ZINC000286275003 356242758 /nfs/dbraw/zinc/24/27/58/356242758.db2.gz VMVAYNJCZRZSRM-JTQLQIEISA-N 1 0 288.307 1.571 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)cs1 ZINC000358528525 356303321 /nfs/dbraw/zinc/30/33/21/356303321.db2.gz PCRIOSPBZXPSQE-GFCCVEGCSA-N 1 0 297.380 1.609 20 5 CDBDRO C[C@H](CNc1ncc([N+](=O)[O-])cn1)[N@@H+]1CCC[C@H](C)C1 ZINC000273591650 192220024 /nfs/dbraw/zinc/22/00/24/192220024.db2.gz HHTLSPWOHYSATH-WDEREUQCSA-N 1 0 279.344 1.917 20 5 CDBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ncc([N+](=O)[O-])cn1 ZINC000273637833 192241290 /nfs/dbraw/zinc/24/12/90/192241290.db2.gz RLDSCKADRWKGKA-JTQLQIEISA-N 1 0 265.317 1.163 20 5 CDBDRO CC(C)(CO)[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000609846034 356458609 /nfs/dbraw/zinc/45/86/09/356458609.db2.gz ZJNXNZTVRKYNIR-UHFFFAOYSA-N 1 0 293.367 1.483 20 5 CDBDRO CC1(C)CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000175432979 356564106 /nfs/dbraw/zinc/56/41/06/356564106.db2.gz CIWXMPLZAYHVAT-UHFFFAOYSA-N 1 0 293.323 1.184 20 5 CDBDRO C[C@H]1C[C@@H](Nc2c([N+](=O)[O-])ncn2C)C[N@@H+]1C1CC1 ZINC000267895293 363560286 /nfs/dbraw/zinc/56/02/86/363560286.db2.gz UBSKSFKWZMUUAR-DTWKUNHWSA-N 1 0 265.317 1.365 20 5 CDBDRO C[C@@H]([NH2+]CC[C@H](C)O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293954536 198843607 /nfs/dbraw/zinc/84/36/07/198843607.db2.gz ZNXGOYDPHIWFLT-DTWKUNHWSA-N 1 0 253.302 1.599 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000221515983 357257391 /nfs/dbraw/zinc/25/73/91/357257391.db2.gz ZZVIYXAACCPOSY-GXTWGEPZSA-N 1 0 289.335 1.348 20 5 CDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000261649716 357268260 /nfs/dbraw/zinc/26/82/60/357268260.db2.gz HFSYPTQVAXZCIK-SNVBAGLBSA-N 1 0 266.301 1.041 20 5 CDBDRO Cc1cnn(C)c1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000286619159 357588705 /nfs/dbraw/zinc/58/87/05/357588705.db2.gz SABRCRWEAGPGQR-UHFFFAOYSA-N 1 0 274.324 1.969 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135223554 357798211 /nfs/dbraw/zinc/79/82/11/357798211.db2.gz FEPOCYHLYBIFBI-ZETCQYMHSA-N 1 0 255.249 1.201 20 5 CDBDRO C[C@H](O)CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000072713833 357849122 /nfs/dbraw/zinc/84/91/22/357849122.db2.gz IBCRMLBLRHPHDN-QWRGUYRKSA-N 1 0 295.339 1.625 20 5 CDBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCC1 ZINC000072721937 358045742 /nfs/dbraw/zinc/04/57/42/358045742.db2.gz KIKJGWGHRFDDIC-UHFFFAOYSA-N 1 0 289.335 1.968 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000127276680 358063178 /nfs/dbraw/zinc/06/31/78/358063178.db2.gz LWSNINUVRUNRDQ-CQSZACIVSA-N 1 0 277.324 1.760 20 5 CDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[NH2+]C ZINC000423505028 358107932 /nfs/dbraw/zinc/10/79/32/358107932.db2.gz GJEGCBYSFTVMCY-UHFFFAOYSA-N 1 0 297.380 1.998 20 5 CDBDRO Cc1cccc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000192532933 358213573 /nfs/dbraw/zinc/21/35/73/358213573.db2.gz LKWFTTWBZWKTJE-TXEJJXNPSA-N 1 0 289.335 1.537 20 5 CDBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1CO ZINC000361657829 358408134 /nfs/dbraw/zinc/40/81/34/358408134.db2.gz DFAZKRGBIOXKSK-ONGXEEELSA-N 1 0 268.288 1.794 20 5 CDBDRO O=C(NCCNc1cc[nH+]cc1)c1cccc([N+](=O)[O-])c1 ZINC000338070016 358736069 /nfs/dbraw/zinc/73/60/69/358736069.db2.gz OFMIERPDPBSQIP-UHFFFAOYSA-N 1 0 286.291 1.254 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000070578175 358972580 /nfs/dbraw/zinc/97/25/80/358972580.db2.gz XKCFVFMGSGGOKL-VXGBXAGGSA-N 1 0 277.324 1.729 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132659307 359025878 /nfs/dbraw/zinc/02/58/78/359025878.db2.gz YBTVHUWCTJNLJF-UHFFFAOYSA-N 1 0 255.249 1.201 20 5 CDBDRO COc1ccc(C(=O)N[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000087383640 359031978 /nfs/dbraw/zinc/03/19/78/359031978.db2.gz VRLHWWBJEDROQJ-JTQLQIEISA-N 1 0 279.296 1.071 20 5 CDBDRO CC(C)(NC(=O)[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000119863389 359033109 /nfs/dbraw/zinc/03/31/09/359033109.db2.gz HWWMZCFDPATFTO-NSHDSACASA-N 1 0 291.351 1.946 20 5 CDBDRO CC[C@H]1C[N@H+](CC)CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000451731982 359073341 /nfs/dbraw/zinc/07/33/41/359073341.db2.gz SFRAUGWBUGPIMF-NSHDSACASA-N 1 0 281.360 1.244 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](CO)CC(C)(C)C ZINC000451774919 359077956 /nfs/dbraw/zinc/07/79/56/359077956.db2.gz CDXUPOCWFWNRBL-NSHDSACASA-N 1 0 284.360 1.520 20 5 CDBDRO C[C@H](C[C@H](C)O)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567876623 359083491 /nfs/dbraw/zinc/08/34/91/359083491.db2.gz VKQLSPVBLSDGGO-MNOVXSKESA-N 1 0 295.339 1.672 20 5 CDBDRO COC(=O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549248 359062188 /nfs/dbraw/zinc/06/21/88/359062188.db2.gz PJSBWVDIKAWIBG-LBPRGKRZSA-N 1 0 278.308 1.947 20 5 CDBDRO COCC[N@H+](C)C[C@H](O)COc1cccc(C)c1[N+](=O)[O-] ZINC000313947530 359154063 /nfs/dbraw/zinc/15/40/63/359154063.db2.gz BRPIOWHWXBTLSV-LBPRGKRZSA-N 1 0 298.339 1.221 20 5 CDBDRO CCOC(=O)CC[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000338784019 359169210 /nfs/dbraw/zinc/16/92/10/359169210.db2.gz QVDSUTDRLBCLME-UHFFFAOYSA-N 1 0 296.323 1.859 20 5 CDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](O)CC2)c([N+](=O)[O-])c1 ZINC000339779807 359437166 /nfs/dbraw/zinc/43/71/66/359437166.db2.gz HDHWFLWRHBLPTR-LBPRGKRZSA-N 1 0 293.323 1.041 20 5 CDBDRO CC(C)[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C1(CO)CCC1 ZINC000339725663 359427951 /nfs/dbraw/zinc/42/79/51/359427951.db2.gz IJANZHFWLYQXPI-GFCCVEGCSA-N 1 0 296.371 1.605 20 5 CDBDRO COC[C@@]1(C)CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296837946 200011928 /nfs/dbraw/zinc/01/19/28/200011928.db2.gz SOECYUQTLYMMEH-GJZGRUSLSA-N 1 0 294.351 1.987 20 5 CDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[NH2+]C1 ZINC000050163116 359601870 /nfs/dbraw/zinc/60/18/70/359601870.db2.gz XQTWKCUMYNMGBI-ZJUUUORDSA-N 1 0 295.314 1.852 20 5 CDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCC1CC[NH2+]CC1 ZINC000297235734 200121628 /nfs/dbraw/zinc/12/16/28/200121628.db2.gz PGWZPEITXDNCKG-UHFFFAOYSA-N 1 0 293.323 1.089 20 5 CDBDRO Cc1ccnc(NCCC[NH+]2CCC(O)CC2)c1[N+](=O)[O-] ZINC000265160122 359775478 /nfs/dbraw/zinc/77/54/78/359775478.db2.gz DTSIXBBONWIKSG-UHFFFAOYSA-N 1 0 294.355 1.557 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235403446 360092083 /nfs/dbraw/zinc/09/20/83/360092083.db2.gz JYPMFWCQHACUOH-APPZFPTMSA-N 1 0 269.326 1.527 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000041028060 283566138 /nfs/dbraw/zinc/56/61/38/283566138.db2.gz BFBSKKVCWHDPLG-SECBINFHSA-N 1 0 267.260 1.297 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000267379658 360619881 /nfs/dbraw/zinc/61/98/81/360619881.db2.gz AQYIZTVTMOVTLX-NSHDSACASA-N 1 0 290.327 1.394 20 5 CDBDRO C[NH2+]CCCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000178360968 189109657 /nfs/dbraw/zinc/10/96/57/189109657.db2.gz VVFCQUUAWPQHBU-UHFFFAOYSA-N 1 0 263.297 1.484 20 5 CDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178537800 189124689 /nfs/dbraw/zinc/12/46/89/189124689.db2.gz NDAOIFWDBXEFCE-SNVBAGLBSA-N 1 0 292.339 1.082 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCC[NH2+]1 ZINC000178751878 189143165 /nfs/dbraw/zinc/14/31/65/189143165.db2.gz RDBVTEJMGYZNFM-SNVBAGLBSA-N 1 0 297.742 1.659 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000147960237 360797118 /nfs/dbraw/zinc/79/71/18/360797118.db2.gz AFICCLXAAAAKSG-MRVPVSSYSA-N 1 0 267.260 1.168 20 5 CDBDRO CC(=O)N1CC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000572542198 361145404 /nfs/dbraw/zinc/14/54/04/361145404.db2.gz WROXDFHMQAGIGH-OAHLLOKOSA-N 1 0 289.335 1.793 20 5 CDBDRO Cc1nc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000294828908 361413770 /nfs/dbraw/zinc/41/37/70/361413770.db2.gz AJIRSOYOQUHYTJ-JQWIXIFHSA-N 1 0 291.355 1.756 20 5 CDBDRO COC(=O)c1cc(NC(=O)C[NH2+]C2CC2)cc([N+](=O)[O-])c1 ZINC000581185870 363968446 /nfs/dbraw/zinc/96/84/46/363968446.db2.gz QDHLJECGXGEKDU-UHFFFAOYSA-N 1 0 293.279 1.072 20 5 CDBDRO Nc1c(C(=O)N2CCC[C@@H](C[NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC000581130642 363971111 /nfs/dbraw/zinc/97/11/11/363971111.db2.gz QMPYGUSOZIWEIL-QMMMGPOBSA-N 1 0 296.302 1.127 20 5 CDBDRO C[C@H](O)CN(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000131322670 364013836 /nfs/dbraw/zinc/01/38/36/364013836.db2.gz AIPAMIJVUWPDBX-VIFPVBQESA-N 1 0 292.295 1.457 20 5 CDBDRO Cc1cc(N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000170601964 364190905 /nfs/dbraw/zinc/19/09/05/364190905.db2.gz RRKMGSZRNLSUQH-NWDGAFQWSA-N 1 0 294.355 1.190 20 5 CDBDRO C[NH2+]CCCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000088147671 364259801 /nfs/dbraw/zinc/25/98/01/364259801.db2.gz DHHITHSXLOCTSE-UHFFFAOYSA-N 1 0 251.286 1.243 20 5 CDBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000268228138 364521070 /nfs/dbraw/zinc/52/10/70/364521070.db2.gz XPWALALSDSQKNT-JTQLQIEISA-N 1 0 283.353 1.823 20 5 CDBDRO CC[NH+](CC)C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174879702 364588012 /nfs/dbraw/zinc/58/80/12/364588012.db2.gz XHYFPVLIVYVHCW-CYBMUJFWSA-N 1 0 295.387 1.455 20 5 CDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1(O)CCOCC1 ZINC000275505421 193060829 /nfs/dbraw/zinc/06/08/29/193060829.db2.gz HGORXFZUOYTOFT-UHFFFAOYSA-N 1 0 298.314 1.707 20 5 CDBDRO [NH3+]C1(c2noc(-c3cc([N+](=O)[O-])n[nH]3)n2)CCCC1 ZINC000414629586 241283945 /nfs/dbraw/zinc/28/39/45/241283945.db2.gz QWKTVRBJVJNREQ-UHFFFAOYSA-N 1 0 264.245 1.096 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000414667969 241312435 /nfs/dbraw/zinc/31/24/35/241312435.db2.gz YFGDDBXQGJXEPD-LLVKDONJSA-N 1 0 278.312 1.762 20 5 CDBDRO C[C@@]1(F)C[NH2+]CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000414767249 241375790 /nfs/dbraw/zinc/37/57/90/241375790.db2.gz JKXNTADNTHYTHL-LLVKDONJSA-N 1 0 273.333 1.790 20 5 CDBDRO [NH3+]CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000269111538 367052754 /nfs/dbraw/zinc/05/27/54/367052754.db2.gz JTVYPZJEAFVCRV-UHFFFAOYSA-N 1 0 277.202 1.302 20 5 CDBDRO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000094339950 367265717 /nfs/dbraw/zinc/26/57/17/367265717.db2.gz BIUJJYAWCKMIQI-GXFFZTMASA-N 1 0 277.324 1.333 20 5 CDBDRO [NH3+][C@@H](C(=O)Nc1cc([N+](=O)[O-])n[nH]1)C1CCCCC1 ZINC001580115471 1172350564 /nfs/dbraw/zinc/35/05/64/1172350564.db2.gz XHLUUJUWLVHLOA-SNVBAGLBSA-N 1 0 267.289 1.164 20 5 CDBDRO CC[C@@H](C)C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090548714 367604220 /nfs/dbraw/zinc/60/42/20/367604220.db2.gz OJPITTJICXOQID-LLVKDONJSA-N 1 0 267.329 1.734 20 5 CDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[NH2+]CC1 ZINC000417212744 242360761 /nfs/dbraw/zinc/36/07/61/242360761.db2.gz BJTDOIQCOLKQLO-UHFFFAOYSA-N 1 0 292.339 1.142 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000161263178 368084561 /nfs/dbraw/zinc/08/45/61/368084561.db2.gz QRBOIODFPBIBQG-QWHCGFSZSA-N 1 0 291.351 1.914 20 5 CDBDRO COC[C@]1(CNCc2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000414947433 370937144 /nfs/dbraw/zinc/93/71/44/370937144.db2.gz VBYHOEIIGAAMGA-CQSZACIVSA-N 1 0 279.340 1.453 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000089091277 368862737 /nfs/dbraw/zinc/86/27/37/368862737.db2.gz LUXPDHBCMOWKHS-VNCGOTGNSA-N 1 0 289.335 1.852 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000089106548 368966229 /nfs/dbraw/zinc/96/62/29/368966229.db2.gz GISHZBCHPNSIHG-ZANVPECISA-N 1 0 295.314 1.981 20 5 CDBDRO C[NH+](C)C1CCC(Nc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000420621447 244288552 /nfs/dbraw/zinc/28/85/52/244288552.db2.gz CXRSIZYEUCOGTJ-UHFFFAOYSA-N 1 0 280.332 1.082 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000295204120 369617433 /nfs/dbraw/zinc/61/74/33/369617433.db2.gz KODQJROJZBXERB-SNVBAGLBSA-N 1 0 281.312 1.217 20 5 CDBDRO COC(=O)Cc1ccc(NCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000295410431 370196575 /nfs/dbraw/zinc/19/65/75/370196575.db2.gz LHFOWDRMFDAJFS-UHFFFAOYSA-N 1 0 281.312 1.284 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1CC[NH2+]CC1 ZINC000422621741 245139746 /nfs/dbraw/zinc/13/97/46/245139746.db2.gz YMTVPDVQUZFTJB-UHFFFAOYSA-N 1 0 291.351 1.941 20 5 CDBDRO CCC[NH2+][C@@H](C)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000295703362 370577991 /nfs/dbraw/zinc/57/79/91/370577991.db2.gz MMFHXQPMTVNLCA-QMMMGPOBSA-N 1 0 291.311 1.798 20 5 CDBDRO [NH3+][C@H](CNCc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000414893597 371032636 /nfs/dbraw/zinc/03/26/36/371032636.db2.gz RRUUYTZXXLKGGP-GFCCVEGCSA-N 1 0 253.277 1.561 20 5 CDBDRO COC[C@]1(CNCc2ccc(C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000414936845 371144418 /nfs/dbraw/zinc/14/44/18/371144418.db2.gz CHZFPUAKFAUKTJ-OAHLLOKOSA-N 1 0 293.367 1.761 20 5 CDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])n1 ZINC000422855386 245336427 /nfs/dbraw/zinc/33/64/27/245336427.db2.gz VIYLKNRRVOOBJL-UWVGGRQHSA-N 1 0 295.343 1.011 20 5 CDBDRO C[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000331732905 204107633 /nfs/dbraw/zinc/10/76/33/204107633.db2.gz SIIRYYAZABYMHI-NSHDSACASA-N 1 0 289.335 1.826 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)c(F)c1 ZINC000385323415 372086303 /nfs/dbraw/zinc/08/63/03/372086303.db2.gz RVWOEHSMZSIFQW-RNCFNFMXSA-N 1 0 265.288 1.528 20 5 CDBDRO CC[N@H+](C)CCNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000190170252 373330809 /nfs/dbraw/zinc/33/08/09/373330809.db2.gz ZBYWNPUOMDICDJ-UHFFFAOYSA-N 1 0 282.300 1.140 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000298697731 373797072 /nfs/dbraw/zinc/79/70/72/373797072.db2.gz OEGNILWVFNQOSB-VHSXEESVSA-N 1 0 265.313 1.770 20 5 CDBDRO C[C@H](NC(=O)NC[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000418229593 374257564 /nfs/dbraw/zinc/25/75/64/374257564.db2.gz HIIRLOFDMLQHJM-WDEREUQCSA-N 1 0 292.339 1.565 20 5 CDBDRO C[C@H](NC(=O)NC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000418233680 374259416 /nfs/dbraw/zinc/25/94/16/374259416.db2.gz OTGLFIGAWQUAKK-JTQLQIEISA-N 1 0 292.339 1.707 20 5 CDBDRO CCCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000065534243 374273518 /nfs/dbraw/zinc/27/35/18/374273518.db2.gz OZWZNEIIBIIONC-UHFFFAOYSA-N 1 0 295.339 1.561 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000311990067 374273609 /nfs/dbraw/zinc/27/36/09/374273609.db2.gz SBTAHVSBCNPTNW-LJJSCBMDSA-N 1 0 263.297 1.462 20 5 CDBDRO CCC[N@H+](CCO)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000076951564 374236176 /nfs/dbraw/zinc/23/61/76/374236176.db2.gz GOXIZTPRVPDDQG-UHFFFAOYSA-N 1 0 295.339 1.262 20 5 CDBDRO COc1ccc(CN[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000424334678 374408836 /nfs/dbraw/zinc/40/88/36/374408836.db2.gz NVHHWEITHNXIMW-VXGBXAGGSA-N 1 0 279.340 1.963 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[NH+](C)C)c1 ZINC000080394470 374465399 /nfs/dbraw/zinc/46/53/99/374465399.db2.gz LIBOQSOVQSRNHT-UHFFFAOYSA-N 1 0 297.380 1.950 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000080390753 374465432 /nfs/dbraw/zinc/46/54/32/374465432.db2.gz AOLDAZLSFGUJFS-UHFFFAOYSA-N 1 0 251.286 1.228 20 5 CDBDRO C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000423968676 246260523 /nfs/dbraw/zinc/26/05/23/246260523.db2.gz YUNIKKJMMVVJGU-GHMZBOCLSA-N 1 0 293.323 1.169 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@H]1C[NH3+] ZINC000070176956 374655953 /nfs/dbraw/zinc/65/59/53/374655953.db2.gz MPVLORLDQUQPRN-KOLCDFICSA-N 1 0 280.328 1.133 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N(C)CC[NH+]2CCCC2)n1 ZINC000124460700 374795751 /nfs/dbraw/zinc/79/57/51/374795751.db2.gz NTMLQKJDVACEQT-UHFFFAOYSA-N 1 0 264.329 1.830 20 5 CDBDRO COc1ccc(C[NH2+][C@]2(CCO)CCOC2)cc1[N+](=O)[O-] ZINC000278112357 374830979 /nfs/dbraw/zinc/83/09/79/374830979.db2.gz BLUAZQZUQFDEGF-CQSZACIVSA-N 1 0 296.323 1.235 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC(C)(C)C[NH3+])c1 ZINC000093873571 374789244 /nfs/dbraw/zinc/78/92/44/374789244.db2.gz IYQRYJSXGLXTQH-UHFFFAOYSA-N 1 0 279.340 1.960 20 5 CDBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000277474035 374790082 /nfs/dbraw/zinc/79/00/82/374790082.db2.gz IDVIAKCIEJTLQK-SNVBAGLBSA-N 1 0 293.327 1.065 20 5 CDBDRO C[C@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000331020280 374878930 /nfs/dbraw/zinc/87/89/30/374878930.db2.gz XLVOVMPCTHNSIU-PWSUYJOCSA-N 1 0 282.344 1.273 20 5 CDBDRO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000331020278 374881064 /nfs/dbraw/zinc/88/10/64/374881064.db2.gz XLVOVMPCTHNSIU-JQWIXIFHSA-N 1 0 282.344 1.273 20 5 CDBDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000279785317 374961666 /nfs/dbraw/zinc/96/16/66/374961666.db2.gz LUCNIXBJRIAYQA-ZDUSSCGKSA-N 1 0 291.351 1.943 20 5 CDBDRO C[C@]1(O)CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000280143484 374983698 /nfs/dbraw/zinc/98/36/98/374983698.db2.gz REFVGCFWBYSEOR-CABCVRRESA-N 1 0 294.351 1.865 20 5 CDBDRO Cc1cc(NCC[N@H+]2CC=CCC2)ncc1[N+](=O)[O-] ZINC000280351151 374992854 /nfs/dbraw/zinc/99/28/54/374992854.db2.gz WPKKLUZVXPGVFL-UHFFFAOYSA-N 1 0 262.313 1.972 20 5 CDBDRO O=[N+]([O-])c1cnn(CCN2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000332217612 375016585 /nfs/dbraw/zinc/01/65/85/375016585.db2.gz WXXRUBGPPVCGMK-ZDUSSCGKSA-N 1 0 293.371 1.352 20 5 CDBDRO CCN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCNC1=O ZINC000282515323 375090791 /nfs/dbraw/zinc/09/07/91/375090791.db2.gz OWMLANKBECWGOV-LBPRGKRZSA-N 1 0 281.287 1.444 20 5 CDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)/C=C/C[NH+](C)C ZINC000282604997 375097082 /nfs/dbraw/zinc/09/70/82/375097082.db2.gz YJXLCNJALYUUNO-VMPITWQZSA-N 1 0 291.351 1.714 20 5 CDBDRO COCC[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000282153110 375067706 /nfs/dbraw/zinc/06/77/06/375067706.db2.gz HWJSWGVVMXLBOO-LLVKDONJSA-N 1 0 254.286 1.082 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132776447 375591361 /nfs/dbraw/zinc/59/13/61/375591361.db2.gz IVRJHHZOXMZOAR-NSHDSACASA-N 1 0 269.276 1.447 20 5 CDBDRO C[C@H](NC[C@@H](O)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000305119445 375553478 /nfs/dbraw/zinc/55/34/78/375553478.db2.gz JBWQGRZLTJGYPC-GXFFZTMASA-N 1 0 267.329 1.168 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000133012543 375661418 /nfs/dbraw/zinc/66/14/18/375661418.db2.gz WMJFHYWZBCFUBT-JTQLQIEISA-N 1 0 293.323 1.427 20 5 CDBDRO O=C(C[C@@H]1CCC[NH2+]CC1)NCc1ccccc1[N+](=O)[O-] ZINC000427340643 247127776 /nfs/dbraw/zinc/12/77/76/247127776.db2.gz WBCWYMNPMWINDL-GFCCVEGCSA-N 1 0 291.351 1.991 20 5 CDBDRO Cc1ccc(NC(=O)[C@]2(F)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000163398889 375687569 /nfs/dbraw/zinc/68/75/69/375687569.db2.gz WRSPJJNYJCWBLA-LBPRGKRZSA-N 1 0 267.260 1.543 20 5 CDBDRO CC[C@](C)([NH2+]CCOc1ccccc1[N+](=O)[O-])C(N)=O ZINC000133671377 375810126 /nfs/dbraw/zinc/81/01/26/375810126.db2.gz FCIRPCNYVFPFBD-ZDUSSCGKSA-N 1 0 281.312 1.217 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000232237390 375844174 /nfs/dbraw/zinc/84/41/74/375844174.db2.gz BBIPGTNYPWKPDD-NSHDSACASA-N 1 0 281.287 1.606 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000357290617 375896075 /nfs/dbraw/zinc/89/60/75/375896075.db2.gz CYFLFKKXTWMTMV-GMOODISLSA-N 1 0 292.339 1.415 20 5 CDBDRO CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CCC[N@H+](C)C1 ZINC000357403925 375905419 /nfs/dbraw/zinc/90/54/19/375905419.db2.gz WBGIZLQNOMDCMX-VIFPVBQESA-N 1 0 266.301 1.089 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000134164093 375926917 /nfs/dbraw/zinc/92/69/17/375926917.db2.gz DXSCJRICRCVPQL-RKDXNWHRSA-N 1 0 251.286 1.194 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320423 296240877 /nfs/dbraw/zinc/24/08/77/296240877.db2.gz JBENYCSBCMSASW-SDDRHHMPSA-N 1 0 261.325 1.807 20 5 CDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000264474114 190112544 /nfs/dbraw/zinc/11/25/44/190112544.db2.gz GRZFDTBMOYFSMS-JTQLQIEISA-N 1 0 299.352 1.107 20 5 CDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435244580 248161657 /nfs/dbraw/zinc/16/16/57/248161657.db2.gz GFRZYLJDNDIZPQ-GFCCVEGCSA-N 1 0 293.298 1.700 20 5 CDBDRO O=[N+]([O-])c1ccn(CCN2CCO[C@@H]3CCC[C@@H]32)n1 ZINC000267068086 376794733 /nfs/dbraw/zinc/79/47/33/376794733.db2.gz KAVZVLVBQZWIOL-WDEREUQCSA-N 1 0 266.301 1.045 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261674546 284667529 /nfs/dbraw/zinc/66/75/29/284667529.db2.gz GCEQPOAWDXDQDR-YPMHNXCESA-N 1 0 275.308 1.419 20 5 CDBDRO C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248471783 377815897 /nfs/dbraw/zinc/81/58/97/377815897.db2.gz VWTMICHBUMYWPX-VXGBXAGGSA-N 1 0 280.324 1.819 20 5 CDBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000173494482 378481607 /nfs/dbraw/zinc/48/16/07/378481607.db2.gz WOIDLNLAVXMILT-LLVKDONJSA-N 1 0 296.323 1.439 20 5 CDBDRO CCCC[N@H+](C)CCNc1ncc([N+](=O)[O-])s1 ZINC000443509588 250036976 /nfs/dbraw/zinc/03/69/76/250036976.db2.gz JJKWPWFKZRSXMM-UHFFFAOYSA-N 1 0 258.347 1.617 20 5 CDBDRO COCC[C@]1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000447085297 250340061 /nfs/dbraw/zinc/34/00/61/250340061.db2.gz HXBVPTMZEWPRHF-AWEZNQCLSA-N 1 0 280.324 1.880 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000449643174 250947012 /nfs/dbraw/zinc/94/70/12/250947012.db2.gz YTGXRTSYYPSIHY-PWSUYJOCSA-N 1 0 277.324 1.842 20 5 CDBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000449743952 250995021 /nfs/dbraw/zinc/99/50/21/250995021.db2.gz CMRIBBRDFFBNCT-SCZZXKLOSA-N 1 0 281.287 1.478 20 5 CDBDRO Cc1nc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)ncc1[N+](=O)[O-] ZINC000450383352 251256528 /nfs/dbraw/zinc/25/65/28/251256528.db2.gz ZYBSGGMOYAKGMK-LBPRGKRZSA-N 1 0 293.371 1.505 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453366811 252306569 /nfs/dbraw/zinc/30/65/69/252306569.db2.gz OPNOFNUROREKDQ-ADEWGFFLSA-N 1 0 277.324 1.899 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493059560 253358690 /nfs/dbraw/zinc/35/86/90/253358690.db2.gz XLXSMVSYRDAZSS-WWQCOOJYSA-N 1 0 263.297 1.319 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CCOCCO)C2)cc1 ZINC000451543455 285139539 /nfs/dbraw/zinc/13/95/39/285139539.db2.gz BUUJARYTXSCDNG-AWEZNQCLSA-N 1 0 294.351 1.783 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@H](C[NH+]3CCCCC3)C2)nc1 ZINC000273620313 285176808 /nfs/dbraw/zinc/17/68/08/285176808.db2.gz ONOCEQLOBXKPFR-GFCCVEGCSA-N 1 0 291.355 1.697 20 5 CDBDRO O=C1N[C@H]2CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2CO1 ZINC000281381034 195218344 /nfs/dbraw/zinc/21/83/44/195218344.db2.gz WEGZNEKIVZVOBU-NEPJUHHUSA-N 1 0 291.307 1.525 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000359033533 390209282 /nfs/dbraw/zinc/20/92/82/390209282.db2.gz TTZHCXPMXAOTMH-SNVBAGLBSA-N 1 0 295.343 1.264 20 5 CDBDRO CO[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000282062249 195492792 /nfs/dbraw/zinc/49/27/92/195492792.db2.gz BPHPCXUHTVOAAM-AAEUAGOBSA-N 1 0 295.339 1.256 20 5 CDBDRO C[C@@H]1C[N@H+](CCCNc2c([N+](=O)[O-])ncn2C)CCCO1 ZINC000432879201 390492377 /nfs/dbraw/zinc/49/23/77/390492377.db2.gz KKCVNCLZIRKGGS-LLVKDONJSA-N 1 0 297.359 1.241 20 5 CDBDRO Cc1nc(N2CC[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000261581801 390480331 /nfs/dbraw/zinc/48/03/31/390480331.db2.gz GHMSCIYDHZPNMD-ZDUSSCGKSA-N 1 0 262.313 1.488 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000261696904 390482446 /nfs/dbraw/zinc/48/24/46/390482446.db2.gz IDMHUPDDXVYROS-QMMMGPOBSA-N 1 0 293.352 1.775 20 5 CDBDRO C[C@@H](C[NH3+])N(C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420193564 390577069 /nfs/dbraw/zinc/57/70/69/390577069.db2.gz UHUHGFCJHBLCDV-QMMMGPOBSA-N 1 0 277.284 1.428 20 5 CDBDRO CN(C)C(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451572633 390632537 /nfs/dbraw/zinc/63/25/37/390632537.db2.gz QTLFAKYQBHQSCL-ZDUSSCGKSA-N 1 0 291.351 1.862 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000215563763 390793773 /nfs/dbraw/zinc/79/37/73/390793773.db2.gz JKWZMGMJIMDXNN-SKVAFPRGSA-N 1 0 263.297 1.462 20 5 CDBDRO C[C@H](CN)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423327040 390826206 /nfs/dbraw/zinc/82/62/06/390826206.db2.gz NHIWLSXCJXKUGN-VWYCJHECSA-N 1 0 267.333 1.212 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[NH2+]C2)c1 ZINC000179056546 390938637 /nfs/dbraw/zinc/93/86/37/390938637.db2.gz FRYHRVFTLBPMTK-SECBINFHSA-N 1 0 279.296 1.037 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)C[NH+](C)C)c1 ZINC000411103659 390965839 /nfs/dbraw/zinc/96/58/39/390965839.db2.gz VRXOISLSZMNVFS-UHFFFAOYSA-N 1 0 295.339 1.673 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@@H+](C2CC2)C1 ZINC000295735024 391126704 /nfs/dbraw/zinc/12/67/04/391126704.db2.gz RXYIRANTCYNKPR-SNVBAGLBSA-N 1 0 292.339 1.479 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NCC[C@@H]1CCC[N@H+](C)C1 ZINC000413450504 391217325 /nfs/dbraw/zinc/21/73/25/391217325.db2.gz YHNDXBBJRIYOOD-JTQLQIEISA-N 1 0 267.333 1.472 20 5 CDBDRO [NH3+]CC[C@H](NCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000415057252 391253306 /nfs/dbraw/zinc/25/33/06/391253306.db2.gz PKYOAJRXBIMSCE-JTQLQIEISA-N 1 0 277.246 1.964 20 5 CDBDRO CCOC(=O)[C@H](F)C1CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000294073911 391322725 /nfs/dbraw/zinc/32/27/25/391322725.db2.gz YPUSCRUIZYUGNX-CYBMUJFWSA-N 1 0 296.298 1.928 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415628121 391469547 /nfs/dbraw/zinc/46/95/47/391469547.db2.gz DOTHHRKELCZZOX-MRVPVSSYSA-N 1 0 270.264 1.593 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH3+])C1 ZINC000415662864 391470763 /nfs/dbraw/zinc/47/07/63/391470763.db2.gz RRWLAFAUKBYVOF-VIFPVBQESA-N 1 0 294.311 1.558 20 5 CDBDRO O=c1c([N+](=O)[O-])cccn1CCC[NH+]1CCCC1 ZINC000188306932 391553719 /nfs/dbraw/zinc/55/37/19/391553719.db2.gz PIKLVINSNKEVQR-UHFFFAOYSA-N 1 0 251.286 1.242 20 5 CDBDRO Cc1cnc(N2CC[NH2+]C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000212741129 391496914 /nfs/dbraw/zinc/49/69/14/391496914.db2.gz LNDOZLWZWFDDLQ-UHFFFAOYSA-N 1 0 250.302 1.486 20 5 CDBDRO COCCC[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1OC ZINC000189867020 130032436 /nfs/dbraw/zinc/03/24/36/130032436.db2.gz NOPPLUFRJDFNMX-UHFFFAOYSA-N 1 0 298.339 1.434 20 5 CDBDRO C[NH2+]CCN(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000237288657 131021264 /nfs/dbraw/zinc/02/12/64/131021264.db2.gz IMZBBKCCSQOWTN-UHFFFAOYSA-N 1 0 283.353 1.365 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000237356923 131025473 /nfs/dbraw/zinc/02/54/73/131025473.db2.gz HDQORRILFKWLFI-ZYHUDNBSSA-N 1 0 277.324 1.690 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000237921281 131065503 /nfs/dbraw/zinc/06/55/03/131065503.db2.gz XPBFUHSMJFUZLD-NSHDSACASA-N 1 0 263.297 1.087 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261756991 131167086 /nfs/dbraw/zinc/16/70/86/131167086.db2.gz UOCORELXBLAEEB-BXUZGUMPSA-N 1 0 289.335 1.727 20 5 CDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1CCC[NH2+]C1 ZINC000261995714 131181877 /nfs/dbraw/zinc/18/18/77/131181877.db2.gz NRWPEQRVYAVDKP-ZJUUUORDSA-N 1 0 292.339 1.295 20 5 CDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000262593727 131238531 /nfs/dbraw/zinc/23/85/31/131238531.db2.gz GIAGYEPCEQYIGV-VIFPVBQESA-N 1 0 280.328 1.280 20 5 CDBDRO C[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[NH2+]1 ZINC000269197446 132129444 /nfs/dbraw/zinc/12/94/44/132129444.db2.gz JFLUEIVBRLVADU-VIFPVBQESA-N 1 0 289.291 1.775 20 5 CDBDRO CC(C)[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000269227026 132136214 /nfs/dbraw/zinc/13/62/14/132136214.db2.gz WUGUOVXCJBBSMU-ZDUSSCGKSA-N 1 0 279.340 1.797 20 5 CDBDRO [NH3+][C@H]1CC[C@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000269225960 132136493 /nfs/dbraw/zinc/13/64/93/132136493.db2.gz FGHOMFFGFVYNNV-WPRPVWTQSA-N 1 0 297.742 1.992 20 5 CDBDRO COc1ccc(CNC(=O)CC2(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000423059409 392958043 /nfs/dbraw/zinc/95/80/43/392958043.db2.gz FPVHACKTYVLWQQ-UHFFFAOYSA-N 1 0 293.323 1.349 20 5 CDBDRO CCOc1ccc([C@@H](C)NCC[NH3+])cc1[N+](=O)[O-] ZINC000423175775 392958164 /nfs/dbraw/zinc/95/81/64/392958164.db2.gz BIJRJCQFHFARAB-SECBINFHSA-N 1 0 253.302 1.603 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000423620812 392966082 /nfs/dbraw/zinc/96/60/82/392966082.db2.gz WZIWTZNKUURHFC-WCBMZHEXSA-N 1 0 278.312 1.047 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1CO ZINC000430201764 393091408 /nfs/dbraw/zinc/09/14/08/393091408.db2.gz BEKJMEXHKNWQFA-ZDUSSCGKSA-N 1 0 280.324 1.950 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)Cn1cccn1 ZINC000430230694 393095554 /nfs/dbraw/zinc/09/55/54/393095554.db2.gz YXBTUNWFNJEFQK-NSHDSACASA-N 1 0 290.323 1.978 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000430232277 393095592 /nfs/dbraw/zinc/09/55/92/393095592.db2.gz LUHADRXRWVQPNS-CYBMUJFWSA-N 1 0 280.324 1.806 20 5 CDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH3+])C1 ZINC000430935472 393105207 /nfs/dbraw/zinc/10/52/07/393105207.db2.gz UDGYHMFMJVPKTA-WDEREUQCSA-N 1 0 292.339 1.202 20 5 CDBDRO O=[N+]([O-])c1ccn(CCN2CC[NH2+]Cc3ccccc32)n1 ZINC000430937588 393106894 /nfs/dbraw/zinc/10/68/94/393106894.db2.gz DAUHNNJBZZKAGL-UHFFFAOYSA-N 1 0 287.323 1.401 20 5 CDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000531567975 393063076 /nfs/dbraw/zinc/06/30/76/393063076.db2.gz OOYVYJPYXSPKSH-SNVBAGLBSA-N 1 0 295.314 1.806 20 5 CDBDRO COCCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447507712 393114794 /nfs/dbraw/zinc/11/47/94/393114794.db2.gz INPWAZJPTQPKHR-NEPJUHHUSA-N 1 0 282.344 1.901 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449694003 393139826 /nfs/dbraw/zinc/13/98/26/393139826.db2.gz GKEDGXWHESNXAL-MNOVXSKESA-N 1 0 292.339 1.385 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000449709907 393139874 /nfs/dbraw/zinc/13/98/74/393139874.db2.gz KUQCGVLNRYKNPK-QWRGUYRKSA-N 1 0 293.323 1.217 20 5 CDBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000449746118 393141613 /nfs/dbraw/zinc/14/16/13/393141613.db2.gz QFICKOOEJZOKSY-MNOVXSKESA-N 1 0 263.297 1.338 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000215560435 393199519 /nfs/dbraw/zinc/19/95/19/393199519.db2.gz RILWJQJHKIICQH-UIJKISKDSA-N 1 0 263.297 1.462 20 5 CDBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000165913492 139928201 /nfs/dbraw/zinc/92/82/01/139928201.db2.gz HRBVNRHSDFXFEA-SNVBAGLBSA-N 1 0 295.314 1.935 20 5 CDBDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000186338891 140059536 /nfs/dbraw/zinc/05/95/36/140059536.db2.gz VBCNEZKWRVLFTK-QWHCGFSZSA-N 1 0 296.371 1.975 20 5 CDBDRO CSCC[C@@H]([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856712 140219910 /nfs/dbraw/zinc/21/99/10/140219910.db2.gz GDDPIDPDXAJWQJ-LLVKDONJSA-N 1 0 297.380 1.600 20 5 CDBDRO Cc1c(CNC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)cccc1[N+](=O)[O-] ZINC000231856053 140219976 /nfs/dbraw/zinc/21/99/76/140219976.db2.gz FYDLMXPOUORDEG-GXFFZTMASA-N 1 0 291.351 1.908 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[NH2+]CC1 ZINC000232236842 140222142 /nfs/dbraw/zinc/22/21/42/140222142.db2.gz OXZCOXAWZBCBEG-LBPRGKRZSA-N 1 0 277.324 1.396 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252545787 140320245 /nfs/dbraw/zinc/32/02/45/140320245.db2.gz JTAAALWNTXBIPQ-AAEUAGOBSA-N 1 0 292.339 1.573 20 5 CDBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1[NH3+] ZINC000261575798 140354059 /nfs/dbraw/zinc/35/40/59/140354059.db2.gz BTQICWUOBJQIEB-NOZJJQNGSA-N 1 0 267.304 1.903 20 5 CDBDRO O=[N+]([O-])c1cc(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)cs1 ZINC000261585865 140356706 /nfs/dbraw/zinc/35/67/06/140356706.db2.gz UAAHJYOMHBHWFT-WDEREUQCSA-N 1 0 267.354 1.698 20 5 CDBDRO O=[N+]([O-])c1cc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)cs1 ZINC000261586897 140357219 /nfs/dbraw/zinc/35/72/19/140357219.db2.gz URLWJEXSFNKWGJ-WDEREUQCSA-N 1 0 267.354 1.840 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261705828 140377808 /nfs/dbraw/zinc/37/78/08/140377808.db2.gz IXNYUOBEVYLKHB-MWLCHTKSSA-N 1 0 281.360 1.683 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2[NH2+]CCc3ccccc32)nc1 ZINC000261770089 140386505 /nfs/dbraw/zinc/38/65/05/140386505.db2.gz VVTIMMXFAVQXLT-ZDUSSCGKSA-N 1 0 285.307 1.684 20 5 CDBDRO C[NH+](C)C1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000158459461 289072146 /nfs/dbraw/zinc/07/21/46/289072146.db2.gz RPXSDUFYRZNVNR-UHFFFAOYSA-N 1 0 283.715 1.634 20 5 CDBDRO CCO[C@@H]1C[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000176260389 148031949 /nfs/dbraw/zinc/03/19/49/148031949.db2.gz LZCPUQRYSKYVIV-VXGBXAGGSA-N 1 0 296.371 1.927 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000193603955 148628354 /nfs/dbraw/zinc/62/83/54/148628354.db2.gz OIBPHDZOLCNSNQ-XVKPBYJWSA-N 1 0 296.302 1.186 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000262478543 149068231 /nfs/dbraw/zinc/06/82/31/149068231.db2.gz QTJPBFLFXDPMOZ-SECBINFHSA-N 1 0 265.313 1.631 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000334042633 149306097 /nfs/dbraw/zinc/30/60/97/149306097.db2.gz UZLANUKDHZTOFN-WPRPVWTQSA-N 1 0 283.353 1.869 20 5 CDBDRO Cc1c([C@H](C)[NH2+][C@@H](C)CC(N)=O)cccc1[N+](=O)[O-] ZINC000343096197 152029794 /nfs/dbraw/zinc/02/97/94/152029794.db2.gz MDINSJGVDDXVMD-WPRPVWTQSA-N 1 0 265.313 1.818 20 5 CDBDRO CCC[N@@H+]1CCC[C@@H]1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000343948582 152366190 /nfs/dbraw/zinc/36/61/90/152366190.db2.gz IGCSOQDHJDLPFJ-LLVKDONJSA-N 1 0 281.360 1.923 20 5 CDBDRO CCC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000343992541 152381849 /nfs/dbraw/zinc/38/18/49/152381849.db2.gz YHVPKQFUFNKVEU-LLVKDONJSA-N 1 0 264.329 1.698 20 5 CDBDRO Cc1cc(OCC(=O)N[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000346161133 153077159 /nfs/dbraw/zinc/07/71/59/153077159.db2.gz FYRAKYRGGZFPGK-LLVKDONJSA-N 1 0 295.339 1.348 20 5 CDBDRO COc1c(C(=O)N[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000346166569 153079451 /nfs/dbraw/zinc/07/94/51/153079451.db2.gz RTMDVKOIBNGAKS-VIFPVBQESA-N 1 0 281.312 1.283 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000346229312 153105368 /nfs/dbraw/zinc/10/53/68/153105368.db2.gz SJJFGUKACDKMFI-SECBINFHSA-N 1 0 251.286 1.275 20 5 CDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)C1 ZINC000346262315 153116377 /nfs/dbraw/zinc/11/63/77/153116377.db2.gz AJJYIGBNOPGSRO-ZDUSSCGKSA-N 1 0 278.312 1.091 20 5 CDBDRO [NH3+][C@@H](CC(F)F)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000312025067 289426887 /nfs/dbraw/zinc/42/68/87/289426887.db2.gz WCHIPRWJFVDRRO-VIFPVBQESA-N 1 0 273.239 1.194 20 5 CDBDRO O=[N+]([O-])c1ccc2oc(CN3C[C@@H]4C[NH2+]C[C@H]4C3)nc2c1 ZINC000359300739 158205980 /nfs/dbraw/zinc/20/59/80/158205980.db2.gz HDHSSNZOTCETQO-UWVGGRQHSA-N 1 0 288.307 1.387 20 5 CDBDRO CC(C)[C@H](CO)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000359789630 158377850 /nfs/dbraw/zinc/37/78/50/158377850.db2.gz FHCGIQQKFZWFMD-NSHDSACASA-N 1 0 268.313 1.580 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000360821325 158641211 /nfs/dbraw/zinc/64/12/11/158641211.db2.gz ZBHMFAIYPBDXGP-AWEZNQCLSA-N 1 0 290.323 1.124 20 5 CDBDRO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000362072342 159059188 /nfs/dbraw/zinc/05/91/88/159059188.db2.gz MJCFEMCUGDSDJB-DGCLKSJQSA-N 1 0 264.325 1.698 20 5 CDBDRO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000362086137 159065202 /nfs/dbraw/zinc/06/52/02/159065202.db2.gz IEEOCHHDEBDUGS-NWDGAFQWSA-N 1 0 280.324 1.534 20 5 CDBDRO Cc1cccc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000235364458 292422756 /nfs/dbraw/zinc/42/27/56/292422756.db2.gz UJYLBYCDUNKQAL-KOLCDFICSA-N 1 0 263.297 1.322 20 5 CDBDRO CC[C@@H](CO)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447601665 286846625 /nfs/dbraw/zinc/84/66/25/286846625.db2.gz QSEPNSDMVGDGND-QJPTWQEYSA-N 1 0 282.344 1.636 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000006382187 170196752 /nfs/dbraw/zinc/19/67/52/170196752.db2.gz XSFDLXRAGIXXTB-UHFFFAOYSA-N 1 0 265.313 1.666 20 5 CDBDRO CCC[NH+]1CCC(Nc2c([N+](=O)[O-])ncn2C)CC1 ZINC000008338278 170331862 /nfs/dbraw/zinc/33/18/62/170331862.db2.gz NXFHVCLUJILUQC-UHFFFAOYSA-N 1 0 267.333 1.615 20 5 CDBDRO C[C@@H]([NH2+]CCCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000020142065 171028240 /nfs/dbraw/zinc/02/82/40/171028240.db2.gz DBNGOLHJEAVESZ-CYBMUJFWSA-N 1 0 293.367 1.968 20 5 CDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)C[NH+]1CCCCC1 ZINC000285066709 196188874 /nfs/dbraw/zinc/18/88/74/196188874.db2.gz LJXGGXMZPLRQAJ-JTQLQIEISA-N 1 0 295.343 1.170 20 5 CDBDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285268110 196237112 /nfs/dbraw/zinc/23/71/12/196237112.db2.gz QRNMHKJTWCKDHR-ZEGGKSINSA-N 1 0 279.340 1.987 20 5 CDBDRO CCC[C@]1([NH2+]CCn2cc([N+](=O)[O-])cn2)CCOC1 ZINC000285467409 196293258 /nfs/dbraw/zinc/29/32/58/196293258.db2.gz HGTDVOUYXYXZNK-LBPRGKRZSA-N 1 0 268.317 1.340 20 5 CDBDRO C[NH2+]CCC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000285807068 196405462 /nfs/dbraw/zinc/40/54/62/196405462.db2.gz REMJODPYTZKOOH-UHFFFAOYSA-N 1 0 279.340 1.643 20 5 CDBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1csc([N+](=O)[O-])c1 ZINC000040740427 174390623 /nfs/dbraw/zinc/39/06/23/174390623.db2.gz FRDPFKDXGSGNET-ULKQDVFKSA-N 1 0 281.337 1.669 20 5 CDBDRO COc1ccc(C(=O)N2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000044528673 175193595 /nfs/dbraw/zinc/19/35/95/175193595.db2.gz VKAHROPHTAKPIY-JTQLQIEISA-N 1 0 293.323 1.414 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000044563117 175206393 /nfs/dbraw/zinc/20/63/93/175206393.db2.gz DBYLDBUOXWTCBK-SNVBAGLBSA-N 1 0 250.302 1.886 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000071143700 176041060 /nfs/dbraw/zinc/04/10/60/176041060.db2.gz MFPCMRGFQHUNII-VIFPVBQESA-N 1 0 297.742 1.930 20 5 CDBDRO C[C@@H]([NH3+])CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000214355185 260287728 /nfs/dbraw/zinc/28/77/28/260287728.db2.gz CCAIPJGYBQZFQN-JYESYGNLSA-N 1 0 263.297 1.462 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1CCC1 ZINC000514598739 266013206 /nfs/dbraw/zinc/01/32/06/266013206.db2.gz JSDJQDHUEIOTKU-NSHDSACASA-N 1 0 266.297 1.477 20 5 CDBDRO Cc1cc(NC[C@H]2C[NH2+]CCN2C)c(F)cc1[N+](=O)[O-] ZINC000394774684 270338842 /nfs/dbraw/zinc/33/88/42/270338842.db2.gz NSRMHWHXKGOKFU-SNVBAGLBSA-N 1 0 282.319 1.358 20 5 CDBDRO COc1ccc(C(=O)NC(C)(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000397234542 270346804 /nfs/dbraw/zinc/34/68/04/270346804.db2.gz TXHJYZBUDAIILY-UHFFFAOYSA-N 1 0 281.312 1.461 20 5 CDBDRO CC[C@H](C)[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000296044280 273744234 /nfs/dbraw/zinc/74/42/34/273744234.db2.gz QBMCQFYNTRXZCZ-JTQLQIEISA-N 1 0 265.317 1.305 20 5 CDBDRO C[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251653125 274598677 /nfs/dbraw/zinc/59/86/77/274598677.db2.gz GNJBQOBGJFRGRQ-JGVFFNPUSA-N 1 0 281.341 1.478 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCC1C[NH2+]C1)CCC2 ZINC000423314471 275037927 /nfs/dbraw/zinc/03/79/27/275037927.db2.gz HJBDLYOXEXPBOC-AWEZNQCLSA-N 1 0 261.325 1.781 20 5 CDBDRO CC(C)C[C@@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000236704273 275587376 /nfs/dbraw/zinc/58/73/76/275587376.db2.gz QCBJNEMIGUYPKY-CQSZACIVSA-N 1 0 291.351 1.853 20 5 CDBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000269377980 275722506 /nfs/dbraw/zinc/72/25/06/275722506.db2.gz ODIHWAHIESMDOV-MRVPVSSYSA-N 1 0 283.332 1.121 20 5 CDBDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000151095521 275771885 /nfs/dbraw/zinc/77/18/85/275771885.db2.gz IVTSIELWZTUFGI-GXFFZTMASA-N 1 0 277.324 1.866 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000423481317 276382120 /nfs/dbraw/zinc/38/21/20/276382120.db2.gz QGZDCVLTBRXHPF-SNVBAGLBSA-N 1 0 293.323 1.461 20 5 CDBDRO CC(C)(C)c1ccc(C(=O)N[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000127758257 277267020 /nfs/dbraw/zinc/26/70/20/277267020.db2.gz LFPZLXANUGABJT-LLVKDONJSA-N 1 0 291.351 1.984 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000123585640 277285603 /nfs/dbraw/zinc/28/56/03/277285603.db2.gz CNGWBLILTQGIQP-GFCCVEGCSA-N 1 0 267.304 1.918 20 5 CDBDRO CO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000167218724 277339703 /nfs/dbraw/zinc/33/97/03/277339703.db2.gz GHXHGIJXPNSKSB-STQMWFEESA-N 1 0 293.323 1.173 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000063192668 278227350 /nfs/dbraw/zinc/22/73/50/278227350.db2.gz RCNQYWNRIXBHTD-GWCFXTLKSA-N 1 0 277.324 1.937 20 5 CDBDRO C[C@@H](CO)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449094553 278287938 /nfs/dbraw/zinc/28/79/38/278287938.db2.gz SBZZMHIHOJQSPN-MNOVXSKESA-N 1 0 252.314 1.744 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000186699025 278564526 /nfs/dbraw/zinc/56/45/26/278564526.db2.gz NPOXBDLXMNVIMX-KCJUWKMLSA-N 1 0 281.287 1.462 20 5 CDBDRO Cn1nccc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000071333732 279209191 /nfs/dbraw/zinc/20/91/91/279209191.db2.gz HUKAJFOFQUFLSF-UHFFFAOYSA-N 1 0 276.296 1.497 20 5 CDBDRO C[N@H+](CCOCC1CC1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552148 279279307 /nfs/dbraw/zinc/27/93/07/279279307.db2.gz FIUISINPVBZUBH-UHFFFAOYSA-N 1 0 295.339 1.115 20 5 CDBDRO C[C@H]([NH2+][C@H]1CCN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000116388618 279344642 /nfs/dbraw/zinc/34/46/42/279344642.db2.gz DJRAUYINOATKNI-CABZTGNLSA-N 1 0 263.297 1.476 20 5 CDBDRO C[C@@H]([NH2+][C@H]1CCN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000116388621 279344756 /nfs/dbraw/zinc/34/47/56/279344756.db2.gz DJRAUYINOATKNI-SKDRFNHKSA-N 1 0 263.297 1.476 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CC(N)=O ZINC000449184380 279382259 /nfs/dbraw/zinc/38/22/59/279382259.db2.gz HNUBECPEQUBIAO-ZJUUUORDSA-N 1 0 265.313 1.379 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000063192946 279417640 /nfs/dbraw/zinc/41/76/40/279417640.db2.gz GYSGZZJKBBWIHO-WCBMZHEXSA-N 1 0 266.301 1.265 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000237365454 280173120 /nfs/dbraw/zinc/17/31/20/280173120.db2.gz AOIZNAGKYOGXJQ-SGRBOOSSSA-N 1 0 281.287 1.458 20 5 CDBDRO [NH3+]C1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000237868283 280190987 /nfs/dbraw/zinc/19/09/87/280190987.db2.gz FJQZQEDMLGXROB-DUXPYHPUSA-N 1 0 293.298 1.697 20 5 CDBDRO C[C@H](CO)[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000248928265 280395360 /nfs/dbraw/zinc/39/53/60/280395360.db2.gz LZVGYMHCGZMLRI-NEPJUHHUSA-N 1 0 298.339 1.037 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000221532668 280657904 /nfs/dbraw/zinc/65/79/04/280657904.db2.gz YVIFSMTUJSFASG-SMDDNHRTSA-N 1 0 289.335 1.727 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261583207 280665197 /nfs/dbraw/zinc/66/51/97/280665197.db2.gz HBWOENIBMYIHNQ-ZYHUDNBSSA-N 1 0 262.313 1.486 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000189304853 288852099 /nfs/dbraw/zinc/85/20/99/288852099.db2.gz ATOJFIGMAZDOTO-ONGXEEELSA-N 1 0 263.297 1.465 20 5 CDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000567673383 293835170 /nfs/dbraw/zinc/83/51/70/293835170.db2.gz UOSIDYKDJMSODU-ZJUUUORDSA-N 1 0 295.343 1.059 20 5 CDBDRO O=C(CC[NH2+]C[C@H](O)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000570396917 294230554 /nfs/dbraw/zinc/23/05/54/294230554.db2.gz YAKHGEMAPOVIIW-ZDUSSCGKSA-N 1 0 293.323 1.284 20 5 CDBDRO CN1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1=O ZINC000563419426 316304159 /nfs/dbraw/zinc/30/41/59/316304159.db2.gz UYKRRXTVZPBOBS-JOYOIKCWSA-N 1 0 275.308 1.402 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1-c1nc(C2([NH3+])CCC2)no1 ZINC000563711658 316359366 /nfs/dbraw/zinc/35/93/66/316359366.db2.gz BXUXJPQDKXITNC-UHFFFAOYSA-N 1 0 263.257 1.321 20 5 CDBDRO Cc1c(CC(=O)N2CCC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000569573308 316805139 /nfs/dbraw/zinc/80/51/39/316805139.db2.gz OZKHVSQUHMLGSX-LBPRGKRZSA-N 1 0 291.351 1.643 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000382462692 323642363 /nfs/dbraw/zinc/64/23/63/323642363.db2.gz XLDMMAPXHPIACT-PWSUYJOCSA-N 1 0 277.324 1.760 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCC[NH3+] ZINC000580296656 324423854 /nfs/dbraw/zinc/42/38/54/324423854.db2.gz ZXXLIGWJSSVQQW-UHFFFAOYSA-N 1 0 266.301 1.716 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000582834641 325052180 /nfs/dbraw/zinc/05/21/80/325052180.db2.gz XRBQBGIJPQKCOZ-GFCCVEGCSA-N 1 0 278.312 1.131 20 5 CDBDRO CO[C@@H]1COC[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000584052944 326910567 /nfs/dbraw/zinc/91/05/67/326910567.db2.gz NLFVWDGMZIDPTJ-UDGJJRABSA-N 1 0 278.308 1.611 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000036282262 329506265 /nfs/dbraw/zinc/50/62/65/329506265.db2.gz AVEROXYUSKWTRD-UHFFFAOYSA-N 1 0 265.313 1.633 20 5 CDBDRO CC[NH2+]CCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000036283564 329506302 /nfs/dbraw/zinc/50/63/02/329506302.db2.gz PQIJTEOEHDTKGX-UHFFFAOYSA-N 1 0 266.301 1.716 20 5 CDBDRO [NH3+][C@@H]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000214051193 1160704879 /nfs/dbraw/zinc/70/48/79/1160704879.db2.gz YOEBDKRGUNMNMY-SECBINFHSA-N 1 0 258.281 1.680 20 5 CDBDRO C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000153603392 534306265 /nfs/dbraw/zinc/30/62/65/534306265.db2.gz GOLMLPHHWGRKOG-GHMZBOCLSA-N 1 0 293.323 1.182 20 5 CDBDRO CC(C)(C(=O)N[C@H](C[NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000269189142 534369992 /nfs/dbraw/zinc/36/99/92/534369992.db2.gz GHGWCBZTFIGKKL-CYBMUJFWSA-N 1 0 291.351 1.726 20 5 CDBDRO CC[NH2+]CCNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000227860032 519923697 /nfs/dbraw/zinc/92/36/97/519923697.db2.gz BMXLENLJGJVBCN-UHFFFAOYSA-N 1 0 257.265 1.764 20 5 CDBDRO CCOc1ccc(C(=O)N2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000188465042 520898803 /nfs/dbraw/zinc/89/88/03/520898803.db2.gz HXCVUDGDDHIBAS-SNVBAGLBSA-N 1 0 293.323 1.427 20 5 CDBDRO COc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000186729877 522137850 /nfs/dbraw/zinc/13/78/50/522137850.db2.gz LRZNOWXDZMKTJY-GXSJLCMTSA-N 1 0 293.323 1.331 20 5 CDBDRO COCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1 ZINC000061379448 523616633 /nfs/dbraw/zinc/61/66/33/523616633.db2.gz PRGOEZAQECFGNI-UHFFFAOYSA-N 1 0 253.302 1.585 20 5 CDBDRO Cc1ccc(C[NH2+]CC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000035011317 524573934 /nfs/dbraw/zinc/57/39/34/524573934.db2.gz GUFZCWLGVNUGMG-UHFFFAOYSA-N 1 0 265.313 1.517 20 5 CDBDRO Cc1ccc(C[NH2+][C@@]2(CO)CCOC2)cc1[N+](=O)[O-] ZINC000184191950 524602354 /nfs/dbraw/zinc/60/23/54/524602354.db2.gz OXVXUVUYYDAZCC-CYBMUJFWSA-N 1 0 266.297 1.144 20 5 CDBDRO C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000070076575 524831494 /nfs/dbraw/zinc/83/14/94/524831494.db2.gz IHZOYBNUWBJSAJ-AOOOYVTPSA-N 1 0 278.312 1.809 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000070172628 525010878 /nfs/dbraw/zinc/01/08/78/525010878.db2.gz MNVVFEGQNRASLS-RKDXNWHRSA-N 1 0 283.353 1.856 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+]CCOCCO)cc1[N+](=O)[O-] ZINC000020199232 525920935 /nfs/dbraw/zinc/92/09/35/525920935.db2.gz USJMWZNLYJFRKG-NSHDSACASA-N 1 0 268.313 1.563 20 5 CDBDRO Cc1cc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc([N+](=O)[O-])c1 ZINC000221496967 526251633 /nfs/dbraw/zinc/25/16/33/526251633.db2.gz DRMSJNJDSKCKKR-SMDDNHRTSA-N 1 0 289.335 1.727 20 5 CDBDRO Cc1sc(C(=O)NCCCC[NH3+])cc1[N+](=O)[O-] ZINC000181083792 526872385 /nfs/dbraw/zinc/87/23/85/526872385.db2.gz RKFKSQFEGUTFAJ-UHFFFAOYSA-N 1 0 257.315 1.433 20 5 CDBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000304362844 528741225 /nfs/dbraw/zinc/74/12/25/528741225.db2.gz UMQYXEQVYKPICA-AWEZNQCLSA-N 1 0 296.371 1.807 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH2+]C)c1 ZINC000422824187 535427185 /nfs/dbraw/zinc/42/71/85/535427185.db2.gz GKFCMZNNJNLTQI-JTQLQIEISA-N 1 0 295.339 1.579 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC[C@@H]21 ZINC000269000352 536379731 /nfs/dbraw/zinc/37/97/31/536379731.db2.gz JNPVXPJJVKRTJP-PWSUYJOCSA-N 1 0 292.339 1.479 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000423638456 536399828 /nfs/dbraw/zinc/39/98/28/536399828.db2.gz UURCZYRRTLLGQA-SNVBAGLBSA-N 1 0 279.340 1.858 20 5 CDBDRO Cc1c(C[NH2+]C2CCN(C=O)CC2)cccc1[N+](=O)[O-] ZINC000774382734 575201839 /nfs/dbraw/zinc/20/18/39/575201839.db2.gz UOBHNDADPKWOJI-UHFFFAOYSA-N 1 0 277.324 1.614 20 5 CDBDRO O=CN1CCC([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000774240683 575190844 /nfs/dbraw/zinc/19/08/44/575190844.db2.gz NTQFCGWZZKZYEM-UHFFFAOYSA-N 1 0 293.323 1.184 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](CCO)C2CC2)cc1 ZINC000771794750 575611321 /nfs/dbraw/zinc/61/13/21/575611321.db2.gz IJZQRZLEMOEEGS-KBPBESRZSA-N 1 0 280.324 1.379 20 5 CDBDRO C[NH+](C)CCCOC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000766040914 576073523 /nfs/dbraw/zinc/07/35/23/576073523.db2.gz XIHMHQRUMBCFNR-UHFFFAOYSA-N 1 0 252.270 1.703 20 5 CDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000744344309 576675411 /nfs/dbraw/zinc/67/54/11/576675411.db2.gz AHGGLXWUUUZIHO-JTQLQIEISA-N 1 0 295.314 1.948 20 5 CDBDRO COC(=O)N1CC(C)([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000813328357 617359390 /nfs/dbraw/zinc/35/93/90/617359390.db2.gz PRXOIDOEUPQSOV-UHFFFAOYSA-N 1 0 279.296 1.525 20 5 CDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1c([N+](=O)[O-])cnn1C ZINC000892555482 617500603 /nfs/dbraw/zinc/50/06/03/617500603.db2.gz UPJAICMSONSQNW-SNVBAGLBSA-N 1 0 267.333 1.106 20 5 CDBDRO C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])cc2)C[NH+]2CCC1CC2 ZINC000892798302 617760174 /nfs/dbraw/zinc/76/01/74/617760174.db2.gz ASFGUWOTICHLBU-OAHLLOKOSA-N 1 0 289.335 1.809 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N(C)CC1([NH+](C)C)CCC1 ZINC000893384534 617760751 /nfs/dbraw/zinc/76/07/51/617760751.db2.gz UCKBMPRDRLXPER-UHFFFAOYSA-N 1 0 294.355 1.919 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@@]2(C)CCO[C@@H]2C)c1[N+](=O)[O-] ZINC000893522533 618024847 /nfs/dbraw/zinc/02/48/47/618024847.db2.gz UWHOKIUDAUEHEH-OTYXRUKQSA-N 1 0 296.323 1.966 20 5 CDBDRO COC[C@@H](C)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892444694 618208987 /nfs/dbraw/zinc/20/89/87/618208987.db2.gz UMTNIQLKRJCREM-MRVPVSSYSA-N 1 0 270.285 1.434 20 5 CDBDRO C[C@@H](CN)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841067179 618679995 /nfs/dbraw/zinc/67/99/95/618679995.db2.gz WTCWELIOTCSJOH-NSHDSACASA-N 1 0 278.356 1.500 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000894435990 618886026 /nfs/dbraw/zinc/88/60/26/618886026.db2.gz GMMAUDNJCSXNDG-WDEREUQCSA-N 1 0 279.344 1.757 20 5 CDBDRO C[C@H](CCNc1ccc2nonc2c1[N+](=O)[O-])[NH+](C)C ZINC000894521388 618935136 /nfs/dbraw/zinc/93/51/36/618935136.db2.gz OTOJPVCJDKLSHB-MRVPVSSYSA-N 1 0 279.300 1.883 20 5 CDBDRO C[NH+](C)CC1(O)CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000894956001 619159281 /nfs/dbraw/zinc/15/92/81/619159281.db2.gz MVZUNNBVOBAPSB-UHFFFAOYSA-N 1 0 297.330 1.627 20 5 CDBDRO Cc1cc(N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000895246949 619493275 /nfs/dbraw/zinc/49/32/75/619493275.db2.gz DFQZCRFTERHUQM-SWLSCSKDSA-N 1 0 292.383 1.949 20 5 CDBDRO Cc1cc(N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)ncc1[N+](=O)[O-] ZINC000895247445 619493615 /nfs/dbraw/zinc/49/36/15/619493615.db2.gz TXLNJQIPTCEPAP-AAEUAGOBSA-N 1 0 293.371 1.344 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CO)C[C@H]2CCCO2)cc1 ZINC000895749998 619826190 /nfs/dbraw/zinc/82/61/90/619826190.db2.gz XEMPDUHYUDUNHY-DZGCQCFKSA-N 1 0 294.351 1.657 20 5 CDBDRO C[N@@H+]1CC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000902935637 625661981 /nfs/dbraw/zinc/66/19/81/625661981.db2.gz YXLJFFLTLDRFOL-NSHDSACASA-N 1 0 264.285 1.420 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCN1C ZINC000903317020 625970547 /nfs/dbraw/zinc/97/05/47/625970547.db2.gz SCWPDTCJFJFGOG-ZWNOBZJWSA-N 1 0 281.331 1.959 20 5 CDBDRO [NH3+]C1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000904451666 626300724 /nfs/dbraw/zinc/30/07/24/626300724.db2.gz ZDFBLPGMBQUHEV-UHFFFAOYSA-N 1 0 287.266 1.777 20 5 CDBDRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CC[N+](=O)[O-])C1 ZINC000905088741 626604566 /nfs/dbraw/zinc/60/45/66/626604566.db2.gz KOZZPTSFWXPROO-LLVKDONJSA-N 1 0 287.360 1.500 20 5 CDBDRO C[C@@H](NCC[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000905213548 626694594 /nfs/dbraw/zinc/69/45/94/626694594.db2.gz CHKGIGHKRDEPIW-YPMHNXCESA-N 1 0 251.330 1.544 20 5 CDBDRO COc1ccc(C2=NO[C@@H](CNCC[N+](=O)[O-])C2)cc1F ZINC000905256002 626707486 /nfs/dbraw/zinc/70/74/86/626707486.db2.gz WSEVVHMFIUTICT-SNVBAGLBSA-N 1 0 297.286 1.194 20 5 CDBDRO C[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC000905694646 626940893 /nfs/dbraw/zinc/94/08/93/626940893.db2.gz UAFRQWBRMSQIFN-GHMZBOCLSA-N 1 0 289.339 1.664 20 5 CDBDRO C[NH2+]CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911748616 629466399 /nfs/dbraw/zinc/46/63/99/629466399.db2.gz OUSJWZRUBHOZAZ-VXGBXAGGSA-N 1 0 263.297 1.034 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000911808988 629540073 /nfs/dbraw/zinc/54/00/73/629540073.db2.gz HFYUUVKHJIQHEJ-SECBINFHSA-N 1 0 295.364 1.751 20 5 CDBDRO [NH3+]C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000911833366 629564106 /nfs/dbraw/zinc/56/41/06/629564106.db2.gz LGNOWNZVCWXWMZ-RDBSUJKOSA-N 1 0 289.335 1.552 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC([NH+]2CCC2)CC1 ZINC000912884903 630270623 /nfs/dbraw/zinc/27/06/23/630270623.db2.gz WILNUTJIIKMSMV-UHFFFAOYSA-N 1 0 289.335 1.905 20 5 CDBDRO C[NH+](C)CCCOC(=O)c1csc([N+](=O)[O-])c1 ZINC000915873092 631844333 /nfs/dbraw/zinc/84/43/33/631844333.db2.gz YLJWUTJIZRXLID-UHFFFAOYSA-N 1 0 258.299 1.765 20 5 CDBDRO C[NH+](C)CCCNC(=S)NCc1cccc([N+](=O)[O-])c1 ZINC000921271199 632909877 /nfs/dbraw/zinc/90/98/77/632909877.db2.gz CZMIJQYAUAYTRM-UHFFFAOYSA-N 1 0 296.396 1.511 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000041028713 1158472777 /nfs/dbraw/zinc/47/27/77/1158472777.db2.gz NTJWUBFZJRXHNR-VIFPVBQESA-N 1 0 264.285 1.550 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC1(C)CC[NH2+]CC1 ZINC000129467749 1159007129 /nfs/dbraw/zinc/00/71/29/1159007129.db2.gz AQMXCCIUTHEENA-UHFFFAOYSA-N 1 0 281.360 1.921 20 5 CDBDRO CC[C@@H](CO)[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170294424 1162327810 /nfs/dbraw/zinc/32/78/10/1162327810.db2.gz QTVMAHSANKHVDB-PWSUYJOCSA-N 1 0 282.340 1.895 20 5 CDBDRO Cc1nn(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000793770120 1162444139 /nfs/dbraw/zinc/44/41/39/1162444139.db2.gz WPPRWZAPGUMGOJ-CYBMUJFWSA-N 1 0 279.344 1.085 20 5 CDBDRO Cc1c(C)c(N2CC[C@@](F)(C[NH3+])C2)ncc1[N+](=O)[O-] ZINC001157816561 1162447772 /nfs/dbraw/zinc/44/77/72/1162447772.db2.gz CWTNDWPFFMLNCK-GFCCVEGCSA-N 1 0 268.292 1.484 20 5 CDBDRO C[NH+](C)C1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804581931 1162489061 /nfs/dbraw/zinc/48/90/61/1162489061.db2.gz LANDLBXDJQRRHZ-UHFFFAOYSA-N 1 0 266.257 1.253 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(-n2ccc([C@H](C)[NH3+])n2)n1 ZINC001158347946 1162889859 /nfs/dbraw/zinc/88/98/59/1162889859.db2.gz ANARWPWYSWOFKG-YFKPBYRVSA-N 1 0 282.691 1.552 20 5 CDBDRO [NH3+]Cc1cnc2c(ccn2-c2cnc(F)c([N+](=O)[O-])c2)c1 ZINC001167314552 1158586856 /nfs/dbraw/zinc/58/68/56/1158586856.db2.gz WOCGWIMRAGDXQD-UHFFFAOYSA-N 1 0 287.254 1.927 20 5 CDBDRO C[C@@]1(CNc2ncc([N+](=O)[O-])cn2)CCC[NH2+]C1 ZINC000129338584 1158975228 /nfs/dbraw/zinc/97/52/28/1158975228.db2.gz VYUGZEHBPYZXSZ-LLVKDONJSA-N 1 0 251.290 1.186 20 5 CDBDRO CC(C)C(=O)NC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169030367 1161998400 /nfs/dbraw/zinc/99/84/00/1161998400.db2.gz ZBWPJDRNORFMAL-GXTWGEPZSA-N 1 0 297.399 1.668 20 5 CDBDRO CN(CC[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000791052359 1162187730 /nfs/dbraw/zinc/18/77/30/1162187730.db2.gz MIIWDRPODOTOPX-UHFFFAOYSA-N 1 0 292.383 1.297 20 5 CDBDRO COC[C@@H](O)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866353296 1164771086 /nfs/dbraw/zinc/77/10/86/1164771086.db2.gz FYJLNUNTBQSMSY-CABZTGNLSA-N 1 0 286.303 1.262 20 5 CDBDRO CC[NH+]1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000266072021 1164803213 /nfs/dbraw/zinc/80/32/13/1164803213.db2.gz YFQJLMMXJZFYCY-UHFFFAOYSA-N 1 0 291.351 1.738 20 5 CDBDRO C[C@@H](CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000867927629 1164884194 /nfs/dbraw/zinc/88/41/94/1164884194.db2.gz KLIQMTFAUIXWJA-BONVTDFDSA-N 1 0 291.351 1.931 20 5 CDBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC000870977020 1165246034 /nfs/dbraw/zinc/24/60/34/1165246034.db2.gz FCZCISXZPFCABA-ZSBIGDGJSA-N 1 0 289.335 1.855 20 5 CDBDRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000876577785 1165874212 /nfs/dbraw/zinc/87/42/12/1165874212.db2.gz OOOCVZZTAXEYGX-VQPUKRSISA-N 1 0 289.335 1.623 20 5 CDBDRO C[C@H]1CC[C@@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000877832035 1166108341 /nfs/dbraw/zinc/10/83/41/1166108341.db2.gz FHHHEDBFUDAQGF-QMGNLALYSA-N 1 0 294.351 1.767 20 5 CDBDRO CCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000058233960 1167220224 /nfs/dbraw/zinc/22/02/24/1167220224.db2.gz SFLMCTLVERUXMC-GFCCVEGCSA-N 1 0 277.324 1.727 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001155618066 1167260715 /nfs/dbraw/zinc/26/07/15/1167260715.db2.gz KWQKSGWKCFNHQD-GWCFXTLKSA-N 1 0 296.302 1.452 20 5 CDBDRO Cc1nc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC001155622531 1167264205 /nfs/dbraw/zinc/26/42/05/1167264205.db2.gz ZMTQTDHQVMLRIS-FZMZJTMJSA-N 1 0 292.339 1.621 20 5 CDBDRO O=[N+]([O-])CCN1Cc2ccccc2OC2(CC[NH2+]CC2)C1 ZINC001580873372 1172556778 /nfs/dbraw/zinc/55/67/78/1172556778.db2.gz TWCYAJFEATYBIZ-UHFFFAOYSA-N 1 0 291.351 1.280 20 5 CDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCC[NH2+]C1 ZINC000104342121 1174694107 /nfs/dbraw/zinc/69/41/07/1174694107.db2.gz YFYQANDGNLAAJR-VIFPVBQESA-N 1 0 283.353 1.870 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2(O)CCCC2)cc1 ZINC000158654815 1178226136 /nfs/dbraw/zinc/22/61/36/1178226136.db2.gz AGFBZPNGSLFFSI-CYBMUJFWSA-N 1 0 280.324 1.523 20 5 CDBDRO Cc1cc(NC[C@@H]2C[NH2+]CCO2)c(F)cc1[N+](=O)[O-] ZINC000261606216 1181692280 /nfs/dbraw/zinc/69/22/80/1181692280.db2.gz RMHMNTDBTOGUCZ-VIFPVBQESA-N 1 0 269.276 1.443 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000401308539 1186410705 /nfs/dbraw/zinc/41/07/05/1186410705.db2.gz UMXYIJUXMPRIFD-KXUCPTDWSA-N 1 0 280.328 1.144 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000261575336 783834916 /nfs/dbraw/zinc/83/49/16/783834916.db2.gz BMFAACFTFSWUMN-VHSXEESVSA-N 1 0 263.297 1.465 20 5 CDBDRO CCCNC(=O)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000036781116 783599628 /nfs/dbraw/zinc/59/96/28/783599628.db2.gz HHDXQXIHTZOAGK-UHFFFAOYSA-N 1 0 281.312 1.219 20 5 CDBDRO Cc1cc(C(=O)NCC[NH2+]C(C)(C)C)c(N)c([N+](=O)[O-])c1 ZINC000174240807 783662386 /nfs/dbraw/zinc/66/23/86/783662386.db2.gz GKYSJJZUEADKPT-UHFFFAOYSA-N 1 0 294.355 1.603 20 5 CDBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839714389 783856965 /nfs/dbraw/zinc/85/69/65/783856965.db2.gz DLHNFNDIDJDHRM-CHWSQXEVSA-N 1 0 277.324 1.660 20 5 CDBDRO CC(C)(C[NH3+])c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000843218848 783862303 /nfs/dbraw/zinc/86/23/03/783862303.db2.gz GLUPUWKBWXOTFU-UHFFFAOYSA-N 1 0 268.298 1.943 20 5 CDBDRO CSCC(C)(C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000934669702 784448354 /nfs/dbraw/zinc/44/83/54/784448354.db2.gz LUOGXSQMCVJIEJ-UHFFFAOYSA-N 1 0 258.347 1.523 20 5 CDBDRO C[C@H]([NH3+])CN(C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000877098900 784697033 /nfs/dbraw/zinc/69/70/33/784697033.db2.gz XFOUBXOHTCLDJQ-JTQLQIEISA-N 1 0 281.312 1.169 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000323062917 784776479 /nfs/dbraw/zinc/77/64/79/784776479.db2.gz UPEDVGPRVXTUGW-MRVPVSSYSA-N 1 0 285.731 1.862 20 5 CDBDRO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000887401257 784804676 /nfs/dbraw/zinc/80/46/76/784804676.db2.gz RVRMIVQXSFAJRJ-RYUDHWBXSA-N 1 0 291.351 1.766 20 5 CDBDRO COC[C@H](O)CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000230160102 785009376 /nfs/dbraw/zinc/00/93/76/785009376.db2.gz KKBUUTHEXYNNKZ-LLVKDONJSA-N 1 0 288.731 1.735 20 5 CDBDRO CCNC(=O)[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866217335 785049558 /nfs/dbraw/zinc/04/95/58/785049558.db2.gz XLKHAAJROBJRTD-ZJUUUORDSA-N 1 0 297.330 1.779 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000885981748 785066072 /nfs/dbraw/zinc/06/60/72/785066072.db2.gz MIZFOLUWMXKFOF-LBPRGKRZSA-N 1 0 264.329 1.516 20 5 CDBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H]1O ZINC000886480238 785092743 /nfs/dbraw/zinc/09/27/43/785092743.db2.gz BYGJXTCZACNFOQ-MCIONIFRSA-N 1 0 280.324 1.473 20 5 CDBDRO CC(C)[C@@H]([NH3+])c1noc(CCn2cc([N+](=O)[O-])cn2)n1 ZINC000843149278 785237078 /nfs/dbraw/zinc/23/70/78/785237078.db2.gz LQGDFBYNVIKNPV-SNVBAGLBSA-N 1 0 280.288 1.073 20 5 CDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818002697 785359698 /nfs/dbraw/zinc/35/96/98/785359698.db2.gz CWZADYUNMPSLPE-LLVKDONJSA-N 1 0 280.328 1.280 20 5 CDBDRO CCC[N@H+](C)C[C@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000173449666 785412358 /nfs/dbraw/zinc/41/23/58/785412358.db2.gz IQKUGIUWFNJQNL-GFCCVEGCSA-N 1 0 281.360 1.413 20 5 CDBDRO CC[NH+]1CCN(CCNc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000853150485 785504915 /nfs/dbraw/zinc/50/49/15/785504915.db2.gz FWNWALRSCDGAKU-UHFFFAOYSA-N 1 0 293.371 1.226 20 5 CDBDRO Cc1cc(Cc2noc([C@@H](C)N)n2)ccc1[N+](=O)[O-] ZINC000843191713 785523000 /nfs/dbraw/zinc/52/30/00/785523000.db2.gz KSHPWNBAJIRDNL-MRVPVSSYSA-N 1 0 262.269 1.897 20 5 CDBDRO Cc1c(CNC(=[NH2+])N2CCOCC2)cccc1[N+](=O)[O-] ZINC000849021927 785599521 /nfs/dbraw/zinc/59/95/21/785599521.db2.gz LETBJDCMVMOFCA-UHFFFAOYSA-N 1 0 278.312 1.260 20 5 CDBDRO C[NH2+]C[C@H](C)c1noc(COc2ccccc2[N+](=O)[O-])n1 ZINC000842577980 785607876 /nfs/dbraw/zinc/60/78/76/785607876.db2.gz SIRFUUPHPWKNPS-VIFPVBQESA-N 1 0 292.295 1.880 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000882491920 785801273 /nfs/dbraw/zinc/80/12/73/785801273.db2.gz LSRDXRAUJGTODI-JTQLQIEISA-N 1 0 293.323 1.427 20 5 CDBDRO [NH3+]C[C@H]1CCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000132026736 785849703 /nfs/dbraw/zinc/84/97/03/785849703.db2.gz JVWWKMNDSSSXDJ-SSDOTTSWSA-N 1 0 267.314 1.232 20 5 CDBDRO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000932695308 785928398 /nfs/dbraw/zinc/92/83/98/785928398.db2.gz MXNCHPPMQXTZHK-LLVKDONJSA-N 1 0 287.360 1.500 20 5 CDBDRO COc1ccc(NC(=O)C[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000136476237 786043771 /nfs/dbraw/zinc/04/37/71/786043771.db2.gz DFZTXJVZONQSJX-VIFPVBQESA-N 1 0 279.296 1.542 20 5 CDBDRO C[C@@H]([NH2+]C[C@H]1CCC(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000851897836 786054624 /nfs/dbraw/zinc/05/46/24/786054624.db2.gz RKWFGRXFZLXNEM-BXKDBHETSA-N 1 0 264.281 1.951 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841011389 786129559 /nfs/dbraw/zinc/12/95/59/786129559.db2.gz PITAIXZLBVYHQQ-LURJTMIESA-N 1 0 272.692 1.717 20 5 CDBDRO CC(C)(C[NH3+])c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000843171186 786321165 /nfs/dbraw/zinc/32/11/65/786321165.db2.gz TXAMJVRIPUTGFV-UHFFFAOYSA-N 1 0 276.296 1.805 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H]1Cc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000844920034 786341704 /nfs/dbraw/zinc/34/17/04/786341704.db2.gz QCZCAPZWLUMBOG-JGVFFNPUSA-N 1 0 278.268 1.908 20 5 CDBDRO CC(C)(CCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)[N+](=O)[O-] ZINC000822528298 786350150 /nfs/dbraw/zinc/35/01/50/786350150.db2.gz AMHGCCDLQHCYBU-NWDGAFQWSA-N 1 0 283.372 1.565 20 5 CDBDRO Cc1c(C[NH2+][C@@H](C)[C@H]2CN(C)CCO2)cccc1[N+](=O)[O-] ZINC000873081730 786380197 /nfs/dbraw/zinc/38/01/97/786380197.db2.gz PHNOZNQAVOWGKI-SWLSCSKDSA-N 1 0 293.367 1.712 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCN1CCOCC1 ZINC000873006500 786406543 /nfs/dbraw/zinc/40/65/43/786406543.db2.gz JFGXQRICOVEHNZ-UHFFFAOYSA-N 1 0 293.367 1.633 20 5 CDBDRO C[N@H+](CCCF)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000887136502 786466390 /nfs/dbraw/zinc/46/63/90/786466390.db2.gz VPHOZYNUBKPBEJ-GFCCVEGCSA-N 1 0 286.303 1.626 20 5 CDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000881952817 786578118 /nfs/dbraw/zinc/57/81/18/786578118.db2.gz QZGGMNYYHBEXLY-JTQLQIEISA-N 1 0 297.334 1.177 20 5 CDBDRO C[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1CO ZINC000886162644 786688790 /nfs/dbraw/zinc/68/87/90/786688790.db2.gz VBZOBRQBJTWJME-MWLCHTKSSA-N 1 0 251.286 1.193 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc(C[C@@H]3CSCC[NH2+]3)n2)o1 ZINC000843238397 786749525 /nfs/dbraw/zinc/74/95/25/786749525.db2.gz QUSDIPGEPSEKPV-SSDOTTSWSA-N 1 0 296.308 1.485 20 5 CDBDRO C[NH2+]CCc1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000823270942 786809139 /nfs/dbraw/zinc/80/91/39/786809139.db2.gz YPJTWCGJROPHEK-UHFFFAOYSA-N 1 0 262.269 1.715 20 5 CDBDRO C[C@]([NH3+])(C(=O)NCCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000867945327 786830745 /nfs/dbraw/zinc/83/07/45/786830745.db2.gz UOYYAHCZVQBHII-CQSZACIVSA-N 1 0 277.324 1.685 20 5 CDBDRO C[N@@H+]1CC[C@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000712549184 786849328 /nfs/dbraw/zinc/84/93/28/786849328.db2.gz QDKFAKIIHFKCKX-ZETCQYMHSA-N 1 0 279.325 1.716 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000886839911 786849752 /nfs/dbraw/zinc/84/97/52/786849752.db2.gz ONAPYQGVSRXJCW-TZMCWYRMSA-N 1 0 290.367 1.954 20 5 CDBDRO COCC[C@H](C)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819368223 786857203 /nfs/dbraw/zinc/85/72/03/786857203.db2.gz FYJYGUCTGYPUMJ-FZMZJTMJSA-N 1 0 282.340 1.890 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000876529648 787085668 /nfs/dbraw/zinc/08/56/68/787085668.db2.gz JFBIXBPHUTWHLC-JTQLQIEISA-N 1 0 277.324 1.646 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923330995 787366423 /nfs/dbraw/zinc/36/64/23/787366423.db2.gz GJRYQRNBAMCWOL-GJZGRUSLSA-N 1 0 291.351 1.314 20 5 CDBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000779868555 787875476 /nfs/dbraw/zinc/87/54/76/787875476.db2.gz WXHQHYXLJLNREJ-CYBMUJFWSA-N 1 0 294.355 1.948 20 5 CDBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)c1ccc([N+](=O)[O-])n1C ZINC000845670993 787890000 /nfs/dbraw/zinc/89/00/00/787890000.db2.gz XZQMINSVQQBXMV-JTQLQIEISA-N 1 0 281.312 1.574 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@@H]1c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000822862517 787898396 /nfs/dbraw/zinc/89/83/96/787898396.db2.gz JUZFGOZVXFEYJV-KWQFWETISA-N 1 0 289.295 1.429 20 5 CDBDRO C[C@@H]([NH3+])c1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000881277720 787949621 /nfs/dbraw/zinc/94/96/21/787949621.db2.gz KCZMTHIDLMTKHP-BDAKNGLRSA-N 1 0 261.285 1.815 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923285194 787959225 /nfs/dbraw/zinc/95/92/25/787959225.db2.gz AJJDYFHMDQDKDY-FZMZJTMJSA-N 1 0 279.340 1.170 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000859639937 788004989 /nfs/dbraw/zinc/00/49/89/788004989.db2.gz DJOVAJJOARTGMJ-RRFJBIMHSA-N 1 0 292.335 1.882 20 5 CDBDRO [NH3+][C@H](CC1CC1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000083458662 788009931 /nfs/dbraw/zinc/00/99/31/788009931.db2.gz QHAXZVXPQMHLKB-LLVKDONJSA-N 1 0 263.297 1.338 20 5 CDBDRO Cn1cc(C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000776277797 788039039 /nfs/dbraw/zinc/03/90/39/788039039.db2.gz OXEGVJHPFZAJPP-AWEZNQCLSA-N 1 0 290.323 1.494 20 5 CDBDRO C[C@@H]([NH2+][C@H]1CCCNC(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000926894266 788040779 /nfs/dbraw/zinc/04/07/79/788040779.db2.gz WZZGQCOJHQNVTJ-PWSUYJOCSA-N 1 0 277.324 1.914 20 5 CDBDRO O=C(NC1C[NH+](CCC2CCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001030292489 788149175 /nfs/dbraw/zinc/14/91/75/788149175.db2.gz LCYWPYJSMILXBO-ZIAGYGMSSA-N 1 0 295.383 1.422 20 5 CDBDRO C[C@@H]1[C@H](C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000854496100 788377358 /nfs/dbraw/zinc/37/73/58/788377358.db2.gz DNUMTMCGQRHTBN-PSASIEDQSA-N 1 0 278.312 1.456 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000050245606 788560785 /nfs/dbraw/zinc/56/07/85/788560785.db2.gz OWVHVHOKIBMSGK-ZETCQYMHSA-N 1 0 255.299 1.077 20 5 CDBDRO CCOC(=O)CC[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178859444 788572830 /nfs/dbraw/zinc/57/28/30/788572830.db2.gz SNRZZHYPNFAMAD-CYBMUJFWSA-N 1 0 296.323 1.513 20 5 CDBDRO C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000094340664 788696016 /nfs/dbraw/zinc/69/60/16/788696016.db2.gz HTXRVURZGYIMJB-BXKDBHETSA-N 1 0 278.312 1.796 20 5 CDBDRO Cn1cc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c([N+](=O)[O-])n1 ZINC000886816174 788812279 /nfs/dbraw/zinc/81/22/79/788812279.db2.gz OUPGDPDUNYIFKK-CMPLNLGQSA-N 1 0 280.328 1.329 20 5 CDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(N2CCCNC2=O)cc1 ZINC000930540657 788882020 /nfs/dbraw/zinc/88/20/20/788882020.db2.gz SAZNZTOPBTZNIF-LLVKDONJSA-N 1 0 292.339 1.534 20 5 CDBDRO [NH3+]CCCCc1cn(Cc2ccc([N+](=O)[O-])c(F)c2)nn1 ZINC000228374383 788907062 /nfs/dbraw/zinc/90/70/62/788907062.db2.gz QCBQDOUXLROIEO-UHFFFAOYSA-N 1 0 293.302 1.655 20 5 CDBDRO [NH3+]CCCCc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000843237439 788915105 /nfs/dbraw/zinc/91/51/05/788915105.db2.gz AXHBIZCUDFQNKO-UHFFFAOYSA-N 1 0 252.230 1.519 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000876500982 789518686 /nfs/dbraw/zinc/51/86/86/789518686.db2.gz LLOPWYMYXCKWPN-NSHDSACASA-N 1 0 277.324 1.775 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCOCCO ZINC001173220821 912304624 /nfs/dbraw/zinc/30/46/24/912304624.db2.gz GZIVCIVVYSJXAZ-LBPRGKRZSA-N 1 0 282.340 1.514 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](F)(CO)C1 ZINC001173230708 912324565 /nfs/dbraw/zinc/32/45/65/912324565.db2.gz ZSKFNPKNYSWBTH-RISCZKNCSA-N 1 0 282.315 1.932 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(C)C(=O)C1 ZINC001173214214 912336275 /nfs/dbraw/zinc/33/62/75/912336275.db2.gz NINFVJKFTKBESF-WCQYABFASA-N 1 0 291.351 1.736 20 5 CDBDRO Cc1ncc(C[NH3+])c(=N)n1-c1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001167674267 897654021 /nfs/dbraw/zinc/65/40/21/897654021.db2.gz OVBBMMIPCZHWPU-UHFFFAOYSA-N 1 0 298.306 1.508 20 5 CDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CC1 ZINC001019915057 899218174 /nfs/dbraw/zinc/21/81/74/899218174.db2.gz GZQGIVLUHDEFLJ-JOCQHMNTSA-N 1 0 289.335 1.742 20 5 CDBDRO C[NH2+]CCNc1ccc([N+](=O)[O-])c2c1CCN(C)C2 ZINC001167725747 899420513 /nfs/dbraw/zinc/42/05/13/899420513.db2.gz IVJWGNCLGVEQKQ-UHFFFAOYSA-N 1 0 264.329 1.214 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(F)cc(F)c1 ZINC001225226698 902426467 /nfs/dbraw/zinc/42/64/67/902426467.db2.gz UULWWIDUGAIOTF-LLVKDONJSA-N 1 0 274.287 1.327 20 5 CDBDRO [NH3+]CCc1cn(-c2cnc([N+](=O)[O-])cn2)c2ccc(O)cc12 ZINC001167985557 905006745 /nfs/dbraw/zinc/00/67/45/905006745.db2.gz GNYPMMVGDDALAE-UHFFFAOYSA-N 1 0 299.290 1.536 20 5 CDBDRO COc1nc(O[C@H](C)C[N+](C)(C)C)cc(C(F)(F)F)n1 ZINC001229150783 908002177 /nfs/dbraw/zinc/00/21/77/908002177.db2.gz BDHKWMNHSHHHRR-MRVPVSSYSA-N 1 0 294.297 1.978 20 5 CDBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000063167711 1169103879 /nfs/dbraw/zinc/10/38/79/1169103879.db2.gz JZLBGKHPFVCBJX-ZDUSSCGKSA-N 1 0 291.351 1.738 20 5 CDBDRO O=C(NCC[NH2+]CCC1CCCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936213 909930782 /nfs/dbraw/zinc/93/07/82/909930782.db2.gz AXEKLUITAWDOTB-ZIAGYGMSSA-N 1 0 297.399 1.718 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1COC[C@H]1O)CC2 ZINC001172896970 912034969 /nfs/dbraw/zinc/03/49/69/912034969.db2.gz VEWJAJUSXXDPGU-NWANDNLSSA-N 1 0 292.335 1.192 20 5 CDBDRO O=C(/C=C/C1CC1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001125260936 936360199 /nfs/dbraw/zinc/36/01/99/936360199.db2.gz QSUIYRWYLCITBY-ONEGZZNKSA-N 1 0 295.364 1.828 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001162384679 922439611 /nfs/dbraw/zinc/43/96/11/922439611.db2.gz IJFDDQLGZHNOCM-BDAKNGLRSA-N 1 0 266.301 1.680 20 5 CDBDRO COc1ncc([N+](=O)[O-])c(NCC(C)(C)C[NH+](C)C)n1 ZINC001168763965 924055138 /nfs/dbraw/zinc/05/51/38/924055138.db2.gz MRXGQPRMFJIGII-UHFFFAOYSA-N 1 0 283.332 1.393 20 5 CDBDRO CCOc1nc(N2CCC(F)(C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001165262830 925009680 /nfs/dbraw/zinc/00/96/80/925009680.db2.gz IRXKBTIAKRRONT-UHFFFAOYSA-N 1 0 298.318 1.656 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCCC[C@@H]2O)c1 ZINC000843090429 937111686 /nfs/dbraw/zinc/11/16/86/937111686.db2.gz WWCVVMPMSUICCU-SNPRPXQTSA-N 1 0 294.351 1.769 20 5 CDBDRO CCOC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168977496 927562596 /nfs/dbraw/zinc/56/25/96/927562596.db2.gz KKCWEXYKUNJVEF-NNYUYHANSA-N 1 0 270.329 1.363 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2nccc(Cl)n2)C1 ZINC001168979927 927567714 /nfs/dbraw/zinc/56/77/14/927567714.db2.gz CGGDZABZVWXGDG-BDAKNGLRSA-N 1 0 270.720 1.665 20 5 CDBDRO COc1ccccc1C(=O)C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168980237 927568951 /nfs/dbraw/zinc/56/89/51/927568951.db2.gz CJOGSEITSZVSBX-VXGBXAGGSA-N 1 0 292.335 1.913 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ncccc2F)C1 ZINC001168964761 927587849 /nfs/dbraw/zinc/58/78/49/927587849.db2.gz VYAGVOOSTCDXAT-NXEZZACHSA-N 1 0 253.277 1.756 20 5 CDBDRO CC(C)(CO)CCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168965973 927589440 /nfs/dbraw/zinc/58/94/40/927589440.db2.gz FICXYUYEIFOOGT-NEPJUHHUSA-N 1 0 258.362 1.820 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C1 ZINC001168969099 927591015 /nfs/dbraw/zinc/59/10/15/927591015.db2.gz CBYVRGHYTJPDJD-NDBYEHHHSA-N 1 0 256.346 1.573 20 5 CDBDRO O=c1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c[nH]1 ZINC001168970360 927593621 /nfs/dbraw/zinc/59/36/21/927593621.db2.gz GZFHDUKATQOFMT-GXSJLCMTSA-N 1 0 251.286 1.322 20 5 CDBDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)n1C ZINC001168970427 927594174 /nfs/dbraw/zinc/59/41/74/927594174.db2.gz HFBMDHLDZHYLNO-NEPJUHHUSA-N 1 0 251.330 1.869 20 5 CDBDRO CC(=O)OCN1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169004961 927607512 /nfs/dbraw/zinc/60/75/12/927607512.db2.gz SUSFDQSHBATUTJ-GXTWGEPZSA-N 1 0 299.371 1.006 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@](F)(CO)CC2)C1 ZINC001169010524 927616377 /nfs/dbraw/zinc/61/63/77/927616377.db2.gz CWOLODCJFKZKGL-UPJWGTAASA-N 1 0 274.336 1.618 20 5 CDBDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC[C@@]1(C)O ZINC001169012218 927616809 /nfs/dbraw/zinc/61/68/09/927616809.db2.gz OTGZWAHFLOLANB-AAVRWANBSA-N 1 0 270.373 1.915 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](CO)CC2)C1 ZINC001169011314 927617914 /nfs/dbraw/zinc/61/79/14/927617914.db2.gz JRCPHYXPRFTGKI-YNEHKIRRSA-N 1 0 256.346 1.526 20 5 CDBDRO C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H]1CC[C@H](O)CC1 ZINC001169011270 927618110 /nfs/dbraw/zinc/61/81/10/927618110.db2.gz JBZIKYRYVTYJLY-RVMXOQNASA-N 1 0 256.346 1.667 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2Oc3ccccc3O2)C1 ZINC001168988934 927627299 /nfs/dbraw/zinc/62/72/99/927627299.db2.gz VCXZOIDGFOJGPW-GHMZBOCLSA-N 1 0 278.308 1.819 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](N3CCCC3)C2)C1 ZINC001169028919 927634948 /nfs/dbraw/zinc/63/49/48/927634948.db2.gz SUTRDHLPEDMSMH-HZSPNIEDSA-N 1 0 267.373 1.602 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CC(N3CCC(F)CC3)C2)C1 ZINC001169034140 927642057 /nfs/dbraw/zinc/64/20/57/927642057.db2.gz FNHVNNPTTIMSLT-WCQYABFASA-N 1 0 285.363 1.550 20 5 CDBDRO Cc1ncc(C[N@@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001169036531 927644952 /nfs/dbraw/zinc/64/49/52/927644952.db2.gz GJRWISAVBQKPCP-DGCLKSJQSA-N 1 0 264.329 1.662 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H](N2CC([NH+]3CCCC3)C2)C1 ZINC001169037102 927646563 /nfs/dbraw/zinc/64/65/63/927646563.db2.gz QVHVEKUUDCYNII-RYUDHWBXSA-N 1 0 253.346 1.212 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(n3cnnc3)CC2)C1 ZINC001169037056 927647241 /nfs/dbraw/zinc/64/72/41/927647241.db2.gz IFDAUUMKMZOWNQ-WCQYABFASA-N 1 0 279.344 1.360 20 5 CDBDRO CCOC(=O)N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169036844 927648251 /nfs/dbraw/zinc/64/82/51/927648251.db2.gz QEWIATIGSBOOIN-NWDGAFQWSA-N 1 0 285.344 1.206 20 5 CDBDRO O=C1NC[C@]2(CCC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)O1 ZINC001169039242 927651247 /nfs/dbraw/zinc/65/12/47/927651247.db2.gz OMZVUYUEKSAMHH-MDZLAQPJSA-N 1 0 283.328 1.006 20 5 CDBDRO CCOC(=O)C[N@H+](CC)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169041032 927652936 /nfs/dbraw/zinc/65/29/36/927652936.db2.gz AOCWTCMIXCIBMQ-MNOVXSKESA-N 1 0 258.318 1.317 20 5 CDBDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169040430 927654331 /nfs/dbraw/zinc/65/43/31/927654331.db2.gz ZVMJSDDKBNGBBG-BJJPWKGXSA-N 1 0 296.367 1.705 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C1 ZINC001169057494 927675548 /nfs/dbraw/zinc/67/55/48/927675548.db2.gz WATRSLXHYZEEAL-CBBWQLFWSA-N 1 0 299.390 1.940 20 5 CDBDRO CCOc1cnc(NCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001169558422 928172975 /nfs/dbraw/zinc/17/29/75/928172975.db2.gz BSESEYFORUXCEL-SNVBAGLBSA-N 1 0 280.328 1.943 20 5 CDBDRO C[N@@H+]1CCC[C@H](CCNc2ncc([N+](=O)[O-])cc2N)C1 ZINC001156390129 928479899 /nfs/dbraw/zinc/47/98/99/928479899.db2.gz WGNKYELHVILUFO-SNVBAGLBSA-N 1 0 279.344 1.716 20 5 CDBDRO O=[N+]([O-])/C=C/c1ccc(Cl)cc1NC[C@@H]1COCC[NH2+]1 ZINC001170044447 929136976 /nfs/dbraw/zinc/13/69/76/929136976.db2.gz LRCCYPOEFOQOCH-OGOUPESXSA-N 1 0 297.742 1.988 20 5 CDBDRO C[NH+](C)[C@@H](CNc1cc(N)c([N+](=O)[O-])cn1)C1CC1 ZINC001120812479 937838442 /nfs/dbraw/zinc/83/84/42/937838442.db2.gz XSSHBHXLXJERDZ-JTQLQIEISA-N 1 0 265.317 1.324 20 5 CDBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(F)F ZINC001154048879 937496500 /nfs/dbraw/zinc/49/65/00/937496500.db2.gz CTIPYCGRDDQMDG-UHFFFAOYSA-N 1 0 293.295 1.517 20 5 CDBDRO Cc1nc(Nc2ccc(C[NH3+])nc2)ccc1[N+](=O)[O-] ZINC001160396140 931519773 /nfs/dbraw/zinc/51/97/73/931519773.db2.gz CSZPFVHEIQJHFH-UHFFFAOYSA-N 1 0 259.269 1.896 20 5 CDBDRO CC[C@]1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCC[NH2+]1 ZINC001118268241 937610520 /nfs/dbraw/zinc/61/05/20/937610520.db2.gz UGZBARIKISPLBM-OAHLLOKOSA-N 1 0 289.335 1.969 20 5 CDBDRO COc1ncnc(NC[C@H]2CCC[NH2+]C[C@H]2C)c1[N+](=O)[O-] ZINC001155026537 937623415 /nfs/dbraw/zinc/62/34/15/937623415.db2.gz ULZUBOOBZNSHDM-NXEZZACHSA-N 1 0 295.343 1.441 20 5 CDBDRO C[C@@H]1C[C@@H](CNc2cc([N+](=O)[O-])c3cc[nH]c3n2)C[NH2+]1 ZINC001155101918 937635174 /nfs/dbraw/zinc/63/51/74/937635174.db2.gz PHCVTXMMRJIRIP-RKDXNWHRSA-N 1 0 275.312 1.881 20 5 CDBDRO C[C@@H](N[C@H]1C[NH2+]CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000925591776 932911805 /nfs/dbraw/zinc/91/18/05/932911805.db2.gz AWSGSCCRPRZYMF-PWSUYJOCSA-N 1 0 265.313 1.234 20 5 CDBDRO COc1cc(C)nc(N[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC001155915459 937688568 /nfs/dbraw/zinc/68/85/68/937688568.db2.gz GJKMGGKMKUWEHW-VIFPVBQESA-N 1 0 268.317 1.669 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001121991809 937897371 /nfs/dbraw/zinc/89/73/71/937897371.db2.gz AXQQMWCFJHEVNQ-KGLIPLIRSA-N 1 0 291.351 1.766 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC001122321310 937920901 /nfs/dbraw/zinc/92/09/01/937920901.db2.gz RTAOWBLJWMLWOY-IAQYHMDHSA-N 1 0 289.335 1.857 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N(C)C1CC[NH2+]CC1 ZINC001156169559 938327055 /nfs/dbraw/zinc/32/70/55/938327055.db2.gz FBKGCOOSJHGOLW-UHFFFAOYSA-N 1 0 250.302 1.486 20 5 CDBDRO [NH3+][C@H]1CCN(c2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001156228568 938338735 /nfs/dbraw/zinc/33/87/35/938338735.db2.gz GZRNAVXDFYIDNX-QMMMGPOBSA-N 1 0 259.269 1.075 20 5 CDBDRO C[C@@H](CC[NH+](C)C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001156416075 938364460 /nfs/dbraw/zinc/36/44/60/938364460.db2.gz WAFUTWXSQFWINX-LBPRGKRZSA-N 1 0 293.367 1.841 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(-n2ccnc2CC[NH3+])n1 ZINC001156477958 938372748 /nfs/dbraw/zinc/37/27/48/938372748.db2.gz WFASGQYJWGWFLL-UHFFFAOYSA-N 1 0 282.691 1.034 20 5 CDBDRO C[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001156580893 938388918 /nfs/dbraw/zinc/38/89/18/938388918.db2.gz ZLLHECXSKYLORY-ZETCQYMHSA-N 1 0 267.245 1.014 20 5 CDBDRO N=C(Nc1ncc([N+](=O)[O-])cc1Cl)SCC[NH3+] ZINC001157128899 938457832 /nfs/dbraw/zinc/45/78/32/938457832.db2.gz SKIVBJHHLLJYGO-UHFFFAOYSA-N 1 0 275.721 1.682 20 5 CDBDRO NC(=[NH2+])c1nccn1-c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001157622343 938521544 /nfs/dbraw/zinc/52/15/44/938521544.db2.gz CMZIYUBENJDEGO-UHFFFAOYSA-N 1 0 283.251 1.008 20 5 CDBDRO CCC[NH+]1C[C@@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)C[C@H]2C1 ZINC001157692070 938533047 /nfs/dbraw/zinc/53/30/47/938533047.db2.gz NKCVJSCQPNXUHF-GHMZBOCLSA-N 1 0 291.355 1.350 20 5 CDBDRO CCC1(Nc2cc([N+](=O)[O-])cc(Cl)n2)C[NH2+]C1 ZINC001157777711 938544677 /nfs/dbraw/zinc/54/46/77/938544677.db2.gz VAKQIOOCTUJWPL-UHFFFAOYSA-N 1 0 256.693 1.807 20 5 CDBDRO [NH3+]C[C@]1(F)CCN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)C1 ZINC001157818084 938551510 /nfs/dbraw/zinc/55/15/10/938551510.db2.gz QHLDKYDCXCFHJT-GFCCVEGCSA-N 1 0 279.275 1.348 20 5 CDBDRO COc1cc(N(C(C)C)[C@H]2CC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001158024781 938575603 /nfs/dbraw/zinc/57/56/03/938575603.db2.gz BQYBABKTXHWFLW-JTQLQIEISA-N 1 0 280.328 1.575 20 5 CDBDRO COc1cnc(-n2ccc([C@H](C)[NH3+])n2)c([N+](=O)[O-])c1 ZINC001158347966 938611786 /nfs/dbraw/zinc/61/17/86/938611786.db2.gz ATMKRTPTJJHAOY-ZETCQYMHSA-N 1 0 263.257 1.204 20 5 CDBDRO [NH3+]Cc1ccn(-c2ncc([N+](=O)[O-])cc2Cl)c1 ZINC001158760474 938660446 /nfs/dbraw/zinc/66/04/46/938660446.db2.gz XSTLIBLETVGDDE-UHFFFAOYSA-N 1 0 252.661 1.893 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(N2C[C@H]([NH3+])C3(COC3)C2)nc1Cl ZINC001158763762 938661240 /nfs/dbraw/zinc/66/12/40/938661240.db2.gz YJZNGTLJLQOBEH-VIFPVBQESA-N 1 0 298.730 1.116 20 5 CDBDRO C[NH+]1CC2(CN(c3ncnc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001158864639 938672822 /nfs/dbraw/zinc/67/28/22/938672822.db2.gz VUVORPFDMJBLMW-UHFFFAOYSA-N 1 0 285.307 1.290 20 5 CDBDRO C[NH+]1CC(CNc2cc(Cl)ncc2[N+](=O)[O-])C1 ZINC001159218877 938713316 /nfs/dbraw/zinc/71/33/16/938713316.db2.gz RYYASYZNKYMZSC-UHFFFAOYSA-N 1 0 256.693 1.617 20 5 CDBDRO C[C@H](Nc1ccc2[nH]cc([N+](=O)[O-])c2n1)[C@H]1C[NH2+]CCO1 ZINC001159498215 938734366 /nfs/dbraw/zinc/73/43/66/938734366.db2.gz KPUCOOCPNMKFPA-GZMMTYOYSA-N 1 0 291.311 1.260 20 5 CDBDRO [NH3+]Cc1nccnc1Nc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001160246598 938777086 /nfs/dbraw/zinc/77/70/86/938777086.db2.gz VNJDJFDDBKAAKF-UHFFFAOYSA-N 1 0 297.278 1.530 20 5 CDBDRO [NH3+]Cc1ccc(Nc2ncc(F)cc2[N+](=O)[O-])cn1 ZINC001160397290 938783952 /nfs/dbraw/zinc/78/39/52/938783952.db2.gz UPQGSBRZUXRRFQ-UHFFFAOYSA-N 1 0 263.232 1.726 20 5 CDBDRO C[NH+](C)CCNc1ncc2cccc([N+](=O)[O-])c2n1 ZINC001161666807 938918421 /nfs/dbraw/zinc/91/84/21/938918421.db2.gz KXQLMCAOBBPYQD-UHFFFAOYSA-N 1 0 261.285 1.512 20 5 CDBDRO Cc1c([N+](=O)[O-])cc(F)cc1-n1cnc(C[NH3+])c1 ZINC001162302360 938975290 /nfs/dbraw/zinc/97/52/90/938975290.db2.gz PHQHDGOJEAJRFU-UHFFFAOYSA-N 1 0 250.233 1.687 20 5 CDBDRO COc1nc(C)nc(N[C@@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001162390829 939041776 /nfs/dbraw/zinc/04/17/76/939041776.db2.gz ITMQIGJXOXCXID-DTWKUNHWSA-N 1 0 281.316 1.384 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)nc1N[C@@H]1C=C[C@H]2C[NH2+]C[C@@H]21 ZINC001162790485 939140784 /nfs/dbraw/zinc/14/07/84/939140784.db2.gz UJJKGTRQYCXHOX-BIIVOSGPSA-N 1 0 281.703 1.224 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)n1 ZINC001162793724 939141825 /nfs/dbraw/zinc/14/18/25/939141825.db2.gz MGZDSIMKWHMNIL-IJLUTSLNSA-N 1 0 274.324 1.793 20 5 CDBDRO CN(CCC[NH+](C)C)c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001163596099 939291587 /nfs/dbraw/zinc/29/15/87/939291587.db2.gz VASDYLCCWWYQBV-UHFFFAOYSA-N 1 0 283.288 1.286 20 5 CDBDRO C[NH2+]C1CN(c2nc(C)cc(Cl)c2[N+](=O)[O-])C1 ZINC001163700913 939311042 /nfs/dbraw/zinc/31/10/42/939311042.db2.gz DHOKVNQNVPRWLR-UHFFFAOYSA-N 1 0 256.693 1.360 20 5 CDBDRO CCOc1cnc(N[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001163772010 939327100 /nfs/dbraw/zinc/32/71/00/939327100.db2.gz IHQSWFQEXQKODP-SECBINFHSA-N 1 0 268.317 1.751 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC[C@@H]1C[NH+](C)C ZINC001165075805 939507567 /nfs/dbraw/zinc/50/75/67/939507567.db2.gz DHOZRELUBWWLBJ-LLVKDONJSA-N 1 0 280.328 1.067 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)nc(-n2ncc3c2CC[NH2+]C3)c1 ZINC001165217855 939525675 /nfs/dbraw/zinc/52/56/75/939525675.db2.gz ADDKMLNJORIHGT-UHFFFAOYSA-N 1 0 279.687 1.475 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2CCCCC23CC[NH2+]CC3)n1 ZINC001165334731 939547377 /nfs/dbraw/zinc/54/73/77/939547377.db2.gz KGWJYIWUUPUYNF-UHFFFAOYSA-N 1 0 291.355 1.806 20 5 CDBDRO O=[N+]([O-])c1ccc2ncc(N3CCC[C@H]4[NH2+]C[C@@H]43)nc2c1 ZINC001165389226 939556607 /nfs/dbraw/zinc/55/66/07/939556607.db2.gz FRUDZNHTALSSIY-YPMHNXCESA-N 1 0 285.307 1.479 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC(C3C[NH2+]C3)CC2)c(F)c1 ZINC001165410909 939560307 /nfs/dbraw/zinc/56/03/07/939560307.db2.gz PHSNLRABEOREBR-UHFFFAOYSA-N 1 0 280.303 1.565 20 5 CDBDRO [NH3+]CCc1nccn1-c1cnc(Cl)cc1[N+](=O)[O-] ZINC001166299746 939603779 /nfs/dbraw/zinc/60/37/79/939603779.db2.gz PSMMRLORAPGXON-UHFFFAOYSA-N 1 0 267.676 1.330 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OCCC[NH+](C)C ZINC001206296637 940013036 /nfs/dbraw/zinc/01/30/36/940013036.db2.gz ONHPKUHOYDLDAZ-SNVBAGLBSA-N 1 0 270.333 1.457 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OCC[NH+]1CCCC1 ZINC001206308403 940014298 /nfs/dbraw/zinc/01/42/98/940014298.db2.gz CAOGMXKQBDDYTE-LLVKDONJSA-N 1 0 282.344 1.601 20 5 CDBDRO [NH3+]C1CC2(C1)CC(NC(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC001523962321 970782418 /nfs/dbraw/zinc/78/24/18/970782418.db2.gz TVSXFHCTLDIXMR-UHFFFAOYSA-N 1 0 281.337 1.656 20 5 CDBDRO CCOc1ccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001223070898 941656165 /nfs/dbraw/zinc/65/61/65/941656165.db2.gz XBRJTHPXGNSLHB-CQSZACIVSA-N 1 0 296.387 1.586 20 5 CDBDRO COC(=O)c1ccc(CO[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001223409513 941675619 /nfs/dbraw/zinc/67/56/19/941675619.db2.gz CRDFJQCKYFZOJT-LBPRGKRZSA-N 1 0 294.307 1.602 20 5 CDBDRO CC/C=C\CCOC(=O)[C@@H](C)OCC[N+](C)(C)C ZINC001224776267 941790361 /nfs/dbraw/zinc/79/03/61/941790361.db2.gz UDSJCVSJDKTLNQ-MEJMFZKBSA-N 1 0 258.382 1.997 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(F)cc1 ZINC001225248266 941833019 /nfs/dbraw/zinc/83/30/19/941833019.db2.gz OFKQZXDVAZOHBT-LLVKDONJSA-N 1 0 256.297 1.188 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccnc(C(F)(F)F)n1 ZINC001225834333 941918716 /nfs/dbraw/zinc/91/87/16/941918716.db2.gz VTBFWNQKSKCQCW-QMMMGPOBSA-N 1 0 264.271 1.969 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cc(C(F)(F)F)n(C)n1 ZINC001226241929 941972855 /nfs/dbraw/zinc/97/28/55/941972855.db2.gz HKSBCFPFZVWPOX-MRVPVSSYSA-N 1 0 266.287 1.912 20 5 CDBDRO COCC[NH+]1CCC(Oc2c(O)cccc2[N+](=O)[O-])CC1 ZINC001226334772 941989649 /nfs/dbraw/zinc/98/96/49/941989649.db2.gz YSFJIRNQJAHYHD-UHFFFAOYSA-N 1 0 296.323 1.790 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1cc[nH+]c(N)c1 ZINC001226658159 942043895 /nfs/dbraw/zinc/04/38/95/942043895.db2.gz YRMRBQCNCTZENN-QMMMGPOBSA-N 1 0 277.284 1.544 20 5 CDBDRO Cc1c[nH]c2ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc12 ZINC001228013701 942257309 /nfs/dbraw/zinc/25/73/09/942257309.db2.gz VSFCUVMBIKMRDW-GFCCVEGCSA-N 1 0 291.371 1.839 20 5 CDBDRO COC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)c(OC)c1 ZINC001228212565 942281873 /nfs/dbraw/zinc/28/18/73/942281873.db2.gz KGVFTBJTGWXZLS-LLVKDONJSA-N 1 0 282.360 1.955 20 5 CDBDRO Cc1nc2cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc2[nH]1 ZINC001228327889 942299851 /nfs/dbraw/zinc/29/98/51/942299851.db2.gz WYILIYOIKFQLEY-LLVKDONJSA-N 1 0 292.359 1.234 20 5 CDBDRO CCOc1ncc(F)c(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001228367391 942305124 /nfs/dbraw/zinc/30/51/24/942305124.db2.gz IICZVBANYYATTA-VIFPVBQESA-N 1 0 258.317 1.488 20 5 CDBDRO Cc1[nH]c(=O)cc(O[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001228687003 942357916 /nfs/dbraw/zinc/35/79/16/942357916.db2.gz STVYENDTKIRROO-VIFPVBQESA-N 1 0 267.285 1.477 20 5 CDBDRO CCOC(=O)Cc1nc(O[C@H](C)C[N+](C)(C)C)cs1 ZINC001229421509 942468281 /nfs/dbraw/zinc/46/82/81/942468281.db2.gz OXPXXSFNXBFCJL-SNVBAGLBSA-N 1 0 287.405 1.722 20 5 CDBDRO CC(C)Oc1cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001234288614 943793157 /nfs/dbraw/zinc/79/31/57/943793157.db2.gz LKYUJUSWFZTEBN-CYBMUJFWSA-N 1 0 296.387 1.836 20 5 CDBDRO C[NH+](C)C1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001262337458 946589452 /nfs/dbraw/zinc/58/94/52/946589452.db2.gz OUUZBRNNBDOZLJ-UONOGXRCSA-N 1 0 289.335 1.471 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(F)COC1 ZINC001254538345 947516043 /nfs/dbraw/zinc/51/60/43/947516043.db2.gz SLGODAPAIPOJAZ-JTQLQIEISA-N 1 0 268.288 1.854 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCO1 ZINC001254536778 947516426 /nfs/dbraw/zinc/51/64/26/947516426.db2.gz SYPQFGMBVGLTPS-CMPLNLGQSA-N 1 0 250.298 1.904 20 5 CDBDRO CC(C)[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(N)=O ZINC001254538382 947516887 /nfs/dbraw/zinc/51/68/87/947516887.db2.gz UEEMDTOFNRXLRE-MFKMUULPSA-N 1 0 279.340 1.625 20 5 CDBDRO COC(=O)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254540711 947518051 /nfs/dbraw/zinc/51/80/51/947518051.db2.gz UQXMRZHZBAMZIC-SNVBAGLBSA-N 1 0 266.297 1.679 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(C(=O)N(C)C)C1 ZINC001254561701 947524099 /nfs/dbraw/zinc/52/40/99/947524099.db2.gz ILBHXAFRBFERMB-LLVKDONJSA-N 1 0 291.351 1.546 20 5 CDBDRO CCC[C@H](CO)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254574602 947533672 /nfs/dbraw/zinc/53/36/72/947533672.db2.gz JDTIAOVXSMICLL-OLZOCXBDSA-N 1 0 264.325 1.813 20 5 CDBDRO CO[C@@H](C)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254578477 947534730 /nfs/dbraw/zinc/53/47/30/947534730.db2.gz LVOCZJXBBINZDO-JOYOIKCWSA-N 1 0 250.298 1.687 20 5 CDBDRO O=C1C[C@@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCCN1 ZINC001254589601 947543320 /nfs/dbraw/zinc/54/33/20/947543320.db2.gz PTDPCOVYMBVKSZ-QWHCGFSZSA-N 1 0 289.335 1.320 20 5 CDBDRO C[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(C)(C)O ZINC001254590708 947543846 /nfs/dbraw/zinc/54/38/46/947543846.db2.gz YZMOOBYQKIXDEU-SKDRFNHKSA-N 1 0 264.325 1.811 20 5 CDBDRO CN(C)C(=O)C1C[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254600359 947549861 /nfs/dbraw/zinc/54/98/61/947549861.db2.gz PHCBHBQQEMFZEF-CQSZACIVSA-N 1 0 289.335 1.082 20 5 CDBDRO N[C@]1(C(F)(F)F)CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246565442 948280951 /nfs/dbraw/zinc/28/09/51/948280951.db2.gz CANLKEXNCRGTHQ-OPRDCNLKSA-N 1 0 281.278 1.397 20 5 CDBDRO C[NH+](C)CCc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247447775 948635663 /nfs/dbraw/zinc/63/56/63/948635663.db2.gz IMFJSTCXSWWTQJ-UHFFFAOYSA-N 1 0 281.247 1.283 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001326306536 954312134 /nfs/dbraw/zinc/31/21/34/954312134.db2.gz QOIAPZNJWACQQU-UHFFFAOYSA-N 1 0 292.339 1.529 20 5 CDBDRO Cn1cc([N+](=O)[O-])c(N2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC001307180848 954583922 /nfs/dbraw/zinc/58/39/22/954583922.db2.gz FILOIFGJNOZPFX-UHFFFAOYSA-N 1 0 293.371 1.783 20 5 CDBDRO Cc1noc(C[N@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC001307927492 956456006 /nfs/dbraw/zinc/45/60/06/956456006.db2.gz HWUCEXWWUVAGBY-OUAUKWLOSA-N 1 0 281.312 1.484 20 5 CDBDRO CCC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(C)n2)C1 ZINC001330690211 956571087 /nfs/dbraw/zinc/57/10/87/956571087.db2.gz UVMDBQAVLHXLAC-JTQLQIEISA-N 1 0 265.317 1.589 20 5 CDBDRO O=C(C[NH+]1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001332354061 957528166 /nfs/dbraw/zinc/52/81/66/957528166.db2.gz GPPJXBFGSXEQJD-UHFFFAOYSA-N 1 0 289.335 1.575 20 5 CDBDRO C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC001335487188 959837487 /nfs/dbraw/zinc/83/74/87/959837487.db2.gz VLFDZVWUPQCRRJ-HIFRSBDPSA-N 1 0 277.368 1.763 20 5 CDBDRO C[NH+](C)C[C@H](O)CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001337275582 961075957 /nfs/dbraw/zinc/07/59/57/961075957.db2.gz PEKSYZWSLCRYMP-SNVBAGLBSA-N 1 0 290.323 1.477 20 5 CDBDRO C[C@H](NC(=O)C1(C)C[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001341741962 963527563 /nfs/dbraw/zinc/52/75/63/963527563.db2.gz WGEWDNYSJKBUFN-VIFPVBQESA-N 1 0 263.297 1.382 20 5 CDBDRO C[C@@H](NC(=O)CC1(C[NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC001342592399 963772731 /nfs/dbraw/zinc/77/27/31/963772731.db2.gz SEWTVKTUZPIOIQ-SNVBAGLBSA-N 1 0 277.324 1.901 20 5 CDBDRO CN(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001346314362 965041024 /nfs/dbraw/zinc/04/10/24/965041024.db2.gz YUXUYXQDAAYTJO-KFWWJZLASA-N 1 0 293.367 1.701 20 5 CDBDRO O=C(CC[NH2+]CCF)Nc1ccccc1[N+](=O)[O-] ZINC001356568757 969430706 /nfs/dbraw/zinc/43/07/06/969430706.db2.gz HUPOAEKDUBOWGU-UHFFFAOYSA-N 1 0 255.249 1.483 20 5 CDBDRO O=[N+]([O-])c1ccc(CO[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000089065570 1173973268 /nfs/dbraw/zinc/97/32/68/1173973268.db2.gz HSWRVXXNPKJTQC-JTQLQIEISA-N 1 0 267.241 1.382 20 5 CDBDRO CCC[NH+]1C[C@@H]2CN(c3cccc([N+](=O)[O-])n3)C[C@H]2C1 ZINC001157692938 1162290887 /nfs/dbraw/zinc/29/08/87/1162290887.db2.gz ZQNPKVWNMXMFGP-VXGBXAGGSA-N 1 0 276.340 1.768 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601006259 342458568 /nfs/dbraw/zinc/45/85/68/342458568.db2.gz SVSSGNGOKRKDFI-SECBINFHSA-N 1 0 281.287 1.415 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000590146275 342522985 /nfs/dbraw/zinc/52/29/85/342522985.db2.gz IZLXWWNGUOGCPJ-AOOOYVTPSA-N 1 0 281.360 1.648 20 5 CDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000590404213 342544105 /nfs/dbraw/zinc/54/41/05/342544105.db2.gz XQIPCBKAQUEQAX-UWVGGRQHSA-N 1 0 280.328 1.098 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000601330900 342554817 /nfs/dbraw/zinc/55/48/17/342554817.db2.gz YYPOEFWJAGLRDI-RKDXNWHRSA-N 1 0 253.277 1.655 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000070172194 361738311 /nfs/dbraw/zinc/73/83/11/361738311.db2.gz QEQVPUBVVYKKRE-ZJUUUORDSA-N 1 0 295.314 1.933 20 5 CDBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000070170126 361739296 /nfs/dbraw/zinc/73/92/96/361739296.db2.gz OBSHLDFCAQTSIY-LLVKDONJSA-N 1 0 277.324 1.796 20 5 CDBDRO CO[C@H]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000267755327 361742193 /nfs/dbraw/zinc/74/21/93/361742193.db2.gz DZQBIHXGMTZDFT-QWRGUYRKSA-N 1 0 293.323 1.643 20 5 CDBDRO Cc1nc(N2CC[C@H]([NH+](C)C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000590568556 342576169 /nfs/dbraw/zinc/57/61/69/342576169.db2.gz FSJAXRUJUZOIDR-PWSUYJOCSA-N 1 0 264.329 1.827 20 5 CDBDRO C[NH2+]CCCn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000166990899 342073640 /nfs/dbraw/zinc/07/36/40/342073640.db2.gz YSMZVVKDUDIMCE-UHFFFAOYSA-N 1 0 290.117 1.129 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cn[nH]c3)CC2)n1 ZINC000618822545 349536421 /nfs/dbraw/zinc/53/64/21/349536421.db2.gz BWQSMXZHZGMRKT-UHFFFAOYSA-N 1 0 276.300 1.352 20 5 CDBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)CC1CC1 ZINC000533489830 282125299 /nfs/dbraw/zinc/12/52/99/282125299.db2.gz OIKDTSVEDWZDOM-UHFFFAOYSA-N 1 0 252.318 1.912 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000294966621 199274401 /nfs/dbraw/zinc/27/44/01/199274401.db2.gz GEHHWHLFJHVCNA-SECBINFHSA-N 1 0 263.297 1.982 20 5 CDBDRO O=C1NCCC[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000590971866 342612489 /nfs/dbraw/zinc/61/24/89/342612489.db2.gz RDBSPLULYWZEBD-NSHDSACASA-N 1 0 263.297 1.211 20 5 CDBDRO Cc1cnc(N2CC[C@@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])c1 ZINC000591437446 342631870 /nfs/dbraw/zinc/63/18/70/342631870.db2.gz HJOLNMLUAAXXFH-QWRGUYRKSA-N 1 0 262.313 1.486 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC[NH2+]C1CC1 ZINC000591359018 342627986 /nfs/dbraw/zinc/62/79/86/342627986.db2.gz AJZZITFREWAUJD-UHFFFAOYSA-N 1 0 292.339 1.488 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nc1 ZINC000591444747 342632594 /nfs/dbraw/zinc/63/25/94/342632594.db2.gz MONKTKBAYZFIJQ-NEPJUHHUSA-N 1 0 276.340 1.816 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591449354 342632954 /nfs/dbraw/zinc/63/29/54/342632954.db2.gz VZQNGNBIEHDHPM-DGCLKSJQSA-N 1 0 261.325 1.779 20 5 CDBDRO C[C@@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCC(=O)N1 ZINC000453585531 252327871 /nfs/dbraw/zinc/32/78/71/252327871.db2.gz GQQGLIMOAGQSLN-ZDUSSCGKSA-N 1 0 263.297 1.353 20 5 CDBDRO C[C@@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC(=O)N1 ZINC000453589165 252327887 /nfs/dbraw/zinc/32/78/87/252327887.db2.gz MORUIKMVKXWNEG-ZDUSSCGKSA-N 1 0 263.297 1.353 20 5 CDBDRO CC(C)([NH3+])CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000592276813 342682908 /nfs/dbraw/zinc/68/29/08/342682908.db2.gz HZPBETYNEJDMOE-UHFFFAOYSA-N 1 0 295.343 1.082 20 5 CDBDRO COc1cccc(C(=O)NCC[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000592294527 342683973 /nfs/dbraw/zinc/68/39/73/342683973.db2.gz SBTSZWAIRFPEIE-QMMMGPOBSA-N 1 0 267.285 1.071 20 5 CDBDRO CNc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000592297321 342684107 /nfs/dbraw/zinc/68/41/07/342684107.db2.gz ZYQFHDICOAWCDZ-MWLCHTKSSA-N 1 0 292.339 1.446 20 5 CDBDRO CNc1ccc(C(=O)N[C@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000592336593 342685752 /nfs/dbraw/zinc/68/57/52/342685752.db2.gz TUZJNHJQVVIPEA-SNVBAGLBSA-N 1 0 294.355 1.884 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000070252201 361870987 /nfs/dbraw/zinc/87/09/87/361870987.db2.gz YBJAERSONQNINQ-LBPRGKRZSA-N 1 0 275.308 1.923 20 5 CDBDRO C[C@H](CCO)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593108802 342769270 /nfs/dbraw/zinc/76/92/70/342769270.db2.gz CMQOSDPQERMYDK-DGCLKSJQSA-N 1 0 298.339 1.037 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000340609666 361883683 /nfs/dbraw/zinc/88/36/83/361883683.db2.gz QKHPVCZXMSGPSH-ZJUUUORDSA-N 1 0 278.312 1.280 20 5 CDBDRO CNc1ccc(C(=O)N2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000573486327 361894095 /nfs/dbraw/zinc/89/40/95/361894095.db2.gz OIUWDGFNHNLXJP-SECBINFHSA-N 1 0 278.312 1.070 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593415549 342799302 /nfs/dbraw/zinc/79/93/02/342799302.db2.gz OHLKIQMSIRQZBD-SNVBAGLBSA-N 1 0 295.314 1.344 20 5 CDBDRO CC[C@@H](C(N)=O)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285396905 342205913 /nfs/dbraw/zinc/20/59/13/342205913.db2.gz SXIJHNBGQROTSA-NSHDSACASA-N 1 0 265.313 1.333 20 5 CDBDRO Cc1sc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000289991422 361960298 /nfs/dbraw/zinc/96/02/98/361960298.db2.gz YKANZKMHPKKCSN-NXEZZACHSA-N 1 0 295.364 1.646 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]CC1 ZINC000593902209 342853725 /nfs/dbraw/zinc/85/37/25/342853725.db2.gz PMJKXAVRDVBRJJ-GFCCVEGCSA-N 1 0 277.324 1.601 20 5 CDBDRO CC1(C)C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000088138723 342227010 /nfs/dbraw/zinc/22/70/10/342227010.db2.gz FPRZPWKTHXBTGI-UHFFFAOYSA-N 1 0 269.326 1.480 20 5 CDBDRO C[C@@H](CCO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594496280 342914079 /nfs/dbraw/zinc/91/40/79/342914079.db2.gz YYFKUJLJAFMCOO-JOYOIKCWSA-N 1 0 250.298 1.943 20 5 CDBDRO COc1cc(C(=O)N(C)CCC[NH3+])c([N+](=O)[O-])cc1OC ZINC000127468960 342275826 /nfs/dbraw/zinc/27/58/26/342275826.db2.gz APPPTDVFPVDLPO-UHFFFAOYSA-N 1 0 297.311 1.033 20 5 CDBDRO [NH3+]CCc1cn(Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000158155825 342276919 /nfs/dbraw/zinc/27/69/19/342276919.db2.gz PWKMCEONVGQXNN-UHFFFAOYSA-N 1 0 281.703 1.389 20 5 CDBDRO COC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595019524 342996011 /nfs/dbraw/zinc/99/60/11/342996011.db2.gz QKUKBTVRPYXGIJ-HZMBPMFUSA-N 1 0 298.339 1.651 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000108330326 349735103 /nfs/dbraw/zinc/73/51/03/349735103.db2.gz PWXGPPWDWLQPGK-SECBINFHSA-N 1 0 283.353 1.728 20 5 CDBDRO CC[N@@H+]1CCCN(Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595308836 343032183 /nfs/dbraw/zinc/03/21/83/343032183.db2.gz MMWOAPHYLXZUIK-UHFFFAOYSA-N 1 0 268.317 1.419 20 5 CDBDRO Cc1noc(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595480906 343065271 /nfs/dbraw/zinc/06/52/71/343065271.db2.gz ASODQDUDYLFMEY-CMPLNLGQSA-N 1 0 294.355 1.950 20 5 CDBDRO CC[NH+](CC)[C@@H]1CCN(c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000078576446 342338480 /nfs/dbraw/zinc/33/84/80/342338480.db2.gz XBCPXVBCXYGCFD-LLVKDONJSA-N 1 0 281.360 1.557 20 5 CDBDRO Cc1c(C[N@H+](C)C[C@H]2COCCO2)cccc1[N+](=O)[O-] ZINC000595741335 343136372 /nfs/dbraw/zinc/13/63/72/343136372.db2.gz MQEXKXZLFDQTJO-ZDUSSCGKSA-N 1 0 280.324 1.750 20 5 CDBDRO Cc1nn(C)c(NCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000079831911 342347927 /nfs/dbraw/zinc/34/79/27/342347927.db2.gz LCOIQOBERIAZAO-UHFFFAOYSA-N 1 0 281.360 1.925 20 5 CDBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000081516481 342371651 /nfs/dbraw/zinc/37/16/51/342371651.db2.gz ABCQWKHMGWJEQH-LBPRGKRZSA-N 1 0 295.387 1.492 20 5 CDBDRO C[N@@H+]1CC[C@@]2(CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])C2)C1 ZINC000596242664 343285035 /nfs/dbraw/zinc/28/50/35/343285035.db2.gz UGKJEBITZIPVNX-CYBMUJFWSA-N 1 0 278.312 1.227 20 5 CDBDRO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cn2)CC12CCCCC2 ZINC000596251652 343274799 /nfs/dbraw/zinc/27/47/99/343274799.db2.gz UURVLAJBGPULGV-UHFFFAOYSA-N 1 0 291.355 1.840 20 5 CDBDRO CO[C@@]1(C)C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000090538912 342396587 /nfs/dbraw/zinc/39/65/87/342396587.db2.gz MHDCEYVMTGKKID-YPMHNXCESA-N 1 0 282.344 1.585 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+]CC2(CO)COC2)cc1[N+](=O)[O-] ZINC000090606386 342396646 /nfs/dbraw/zinc/39/66/46/342396646.db2.gz CUTNESQFINCQQW-NSHDSACASA-N 1 0 280.324 1.563 20 5 CDBDRO C[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])[NH+](C)C ZINC000600994781 342442618 /nfs/dbraw/zinc/44/26/18/342442618.db2.gz HIPMCVQAKCRRCH-MRVPVSSYSA-N 1 0 269.276 1.414 20 5 CDBDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000597219135 343483296 /nfs/dbraw/zinc/48/32/96/343483296.db2.gz YPAFBRWTJMNYAK-PHIMTYICSA-N 1 0 264.281 1.636 20 5 CDBDRO C[C@H](CCNC(=O)c1c(N)cccc1[N+](=O)[O-])[NH+](C)C ZINC000597993305 343683206 /nfs/dbraw/zinc/68/32/06/343683206.db2.gz QWSDWMHQYSMWPX-SECBINFHSA-N 1 0 280.328 1.247 20 5 CDBDRO [NH3+][C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000598916021 343920109 /nfs/dbraw/zinc/92/01/09/343920109.db2.gz SYEDDZPINVIKHH-SNVBAGLBSA-N 1 0 282.275 1.593 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000599079320 343955995 /nfs/dbraw/zinc/95/59/95/343955995.db2.gz DNINRWUEPFLVMS-ZWKOPEQDSA-N 1 0 266.297 1.395 20 5 CDBDRO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000599670575 344126082 /nfs/dbraw/zinc/12/60/82/344126082.db2.gz HDJWFVFCFMIHNA-PHIMTYICSA-N 1 0 293.323 1.236 20 5 CDBDRO Cc1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000601567776 344192810 /nfs/dbraw/zinc/19/28/10/344192810.db2.gz OGIPYPXVJPJJKC-TXEJJXNPSA-N 1 0 290.323 1.871 20 5 CDBDRO C[C@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000602068050 344332274 /nfs/dbraw/zinc/33/22/74/344332274.db2.gz AVGZMMCYTPNXLY-VHSXEESVSA-N 1 0 265.313 1.722 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000602598371 344503654 /nfs/dbraw/zinc/50/36/54/344503654.db2.gz HVVBSWSVGUZACA-OTCDBFHCSA-N 1 0 295.314 1.981 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)C2CCOCC2)cc1 ZINC000602546194 344462303 /nfs/dbraw/zinc/46/23/03/344462303.db2.gz GTWQCXNBJXZPPC-HNNXBMFYSA-N 1 0 294.351 1.514 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCOC[C@H]2CCOC2)cc1 ZINC000602535808 344470840 /nfs/dbraw/zinc/47/08/40/344470840.db2.gz SVUUFXOJJOACBY-AWEZNQCLSA-N 1 0 294.351 1.780 20 5 CDBDRO COc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000602591808 344480419 /nfs/dbraw/zinc/48/04/19/344480419.db2.gz NBUVQDNTOGVANP-PHIMTYICSA-N 1 0 291.307 1.180 20 5 CDBDRO C[C@@H](NC(=O)/C=C/C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000265610277 362459770 /nfs/dbraw/zinc/45/97/70/362459770.db2.gz FCSILJAQCQOBRW-AYLMVEPYSA-N 1 0 277.324 1.890 20 5 CDBDRO CC[NH+](CC)[C@@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602788492 344600316 /nfs/dbraw/zinc/60/03/16/344600316.db2.gz YTWZFSCTLMGVHT-CYBMUJFWSA-N 1 0 295.387 1.516 20 5 CDBDRO CC[C@@]1(CO)CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602810947 344603012 /nfs/dbraw/zinc/60/30/12/344603012.db2.gz JPSYWEDCFLACAQ-CQSZACIVSA-N 1 0 296.371 1.584 20 5 CDBDRO Cc1c(CN(C)[C@@H]2CCN(C)C2=O)cccc1[N+](=O)[O-] ZINC000265632628 362488706 /nfs/dbraw/zinc/48/87/06/362488706.db2.gz GKBGKZVFRDDZDB-CYBMUJFWSA-N 1 0 277.324 1.566 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CC1=CCSC1 ZINC000602904004 344655792 /nfs/dbraw/zinc/65/57/92/344655792.db2.gz HFURZLAKADKUND-UHFFFAOYSA-N 1 0 282.369 1.705 20 5 CDBDRO COc1ccc(CN2CCO[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000128574879 344684058 /nfs/dbraw/zinc/68/40/58/344684058.db2.gz ZWQFJAJNGWSVBO-YGRLFVJLSA-N 1 0 295.339 1.151 20 5 CDBDRO CCOc1cc(Cn2cc(C[NH2+]C)nn2)ccc1[N+](=O)[O-] ZINC000603238701 344757254 /nfs/dbraw/zinc/75/72/54/344757254.db2.gz RQVIFRNAQAMRKZ-UHFFFAOYSA-N 1 0 291.311 1.353 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1cccc([N+](=O)[O-])c1C ZINC000302302074 344854001 /nfs/dbraw/zinc/85/40/01/344854001.db2.gz AHNKGHZSWOGZMV-UHFFFAOYSA-N 1 0 251.286 1.324 20 5 CDBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000314441230 344911128 /nfs/dbraw/zinc/91/11/28/344911128.db2.gz FEXBHYFUHKOLAM-NHYWBVRUSA-N 1 0 289.335 1.796 20 5 CDBDRO COc1ccc(C(=O)NCC(C)(C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000041297487 345106870 /nfs/dbraw/zinc/10/68/70/345106870.db2.gz GXFSMLYTOOPVLO-UHFFFAOYSA-N 1 0 295.339 1.673 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@H]1CO ZINC000052617027 345298169 /nfs/dbraw/zinc/29/81/69/345298169.db2.gz GWUQVHDWMQKDCY-LBPRGKRZSA-N 1 0 280.324 1.820 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000265975984 362633819 /nfs/dbraw/zinc/63/38/19/362633819.db2.gz KCRSPAQINRAHFQ-NSHDSACASA-N 1 0 292.339 1.481 20 5 CDBDRO CC1(C)C[NH2+]CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000088140161 346014167 /nfs/dbraw/zinc/01/41/67/346014167.db2.gz SNBPTZFLHLZZMC-UHFFFAOYSA-N 1 0 292.339 1.217 20 5 CDBDRO C[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000610541609 346307860 /nfs/dbraw/zinc/30/78/60/346307860.db2.gz IXRKWMVJFXBOJR-LBPRGKRZSA-N 1 0 293.367 1.984 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cccs2)c1 ZINC000037886186 346369644 /nfs/dbraw/zinc/36/96/44/346369644.db2.gz DKBDEMGRWBXJKO-SNVBAGLBSA-N 1 0 282.325 1.004 20 5 CDBDRO CCC(CC)[N@H+](CCOC)CCn1ccc([N+](=O)[O-])n1 ZINC000176228788 535049596 /nfs/dbraw/zinc/04/95/96/535049596.db2.gz VARNHRHUZOFPRS-UHFFFAOYSA-N 1 0 284.360 1.928 20 5 CDBDRO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[C@@H]1[NH3+] ZINC000122546686 347655846 /nfs/dbraw/zinc/65/58/46/347655846.db2.gz HEZZFUBAXHJKIR-UWVGGRQHSA-N 1 0 280.328 1.133 20 5 CDBDRO Cc1c(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC000086467877 179298778 /nfs/dbraw/zinc/29/87/78/179298778.db2.gz RIUULCSXCJMKIE-NXEZZACHSA-N 1 0 277.324 1.726 20 5 CDBDRO Cc1noc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000105470066 348776680 /nfs/dbraw/zinc/77/66/80/348776680.db2.gz BYFUCWVMRXDIMX-UHFFFAOYSA-N 1 0 262.269 1.619 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000089090913 179698969 /nfs/dbraw/zinc/69/89/69/179698969.db2.gz FCQHHWYQHCXYDU-QPUJVOFHSA-N 1 0 281.287 1.591 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000089106309 179701508 /nfs/dbraw/zinc/70/15/08/179701508.db2.gz ZBJLMZGJXXSMCE-TZMCWYRMSA-N 1 0 291.351 1.771 20 5 CDBDRO C[C@@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[NH+](C)C ZINC000615872652 348923650 /nfs/dbraw/zinc/92/36/50/348923650.db2.gz OTPMIAJBCBCEFZ-JTQLQIEISA-N 1 0 293.323 1.135 20 5 CDBDRO C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)[NH+](C)C ZINC000063644778 348927545 /nfs/dbraw/zinc/92/75/45/348927545.db2.gz UERXGAIECNPMJH-VIFPVBQESA-N 1 0 299.302 1.179 20 5 CDBDRO CC[C@H](O)C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000266091166 362936297 /nfs/dbraw/zinc/93/62/97/362936297.db2.gz DSMHYKLPEMAYID-ZDUSSCGKSA-N 1 0 294.355 1.191 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000104334946 185973663 /nfs/dbraw/zinc/97/36/63/185973663.db2.gz KXGHMJPALKAJDX-QMMMGPOBSA-N 1 0 283.715 1.669 20 5 CDBDRO CC[C@@H](CSC)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000091099888 180097972 /nfs/dbraw/zinc/09/79/72/180097972.db2.gz CHQBVBBDXFMMRA-JTQLQIEISA-N 1 0 272.374 1.865 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCOC1 ZINC000109546864 186261651 /nfs/dbraw/zinc/26/16/51/186261651.db2.gz HRAHRRADVBQUIU-LLVKDONJSA-N 1 0 266.297 1.872 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000111303829 186393474 /nfs/dbraw/zinc/39/34/74/186393474.db2.gz LSKGDFZIQDKUHI-VIFPVBQESA-N 1 0 251.286 1.370 20 5 CDBDRO C[NH2+]CCCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000209209542 350940996 /nfs/dbraw/zinc/94/09/96/350940996.db2.gz CQRRTRHMKCPDDU-SREVYHEPSA-N 1 0 263.297 1.334 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@](C)(O)COC ZINC000069911637 351212354 /nfs/dbraw/zinc/21/23/54/351212354.db2.gz OXAPRVANMZFFLM-CQSZACIVSA-N 1 0 298.339 1.481 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000123060908 187068694 /nfs/dbraw/zinc/06/86/94/187068694.db2.gz KHRXJUJGOBVGHP-SNVBAGLBSA-N 1 0 267.260 1.297 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000122503610 187035208 /nfs/dbraw/zinc/03/52/08/187035208.db2.gz OJIBSTWFJXHOOJ-UHFFFAOYSA-N 1 0 265.313 1.842 20 5 CDBDRO COc1ccc(NC(=O)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000136476051 363112268 /nfs/dbraw/zinc/11/22/68/363112268.db2.gz IHMUWPZDFGCYGW-UHFFFAOYSA-N 1 0 267.285 1.669 20 5 CDBDRO C[C@@H]([NH2+]CC(=O)NCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000271611685 191240007 /nfs/dbraw/zinc/24/00/07/191240007.db2.gz BCSKACPIDRRPRC-MRVPVSSYSA-N 1 0 287.266 1.627 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000271590321 191231035 /nfs/dbraw/zinc/23/10/35/191231035.db2.gz YFCDVQJNCCWGDX-JTQLQIEISA-N 1 0 265.313 1.252 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000147937576 187915283 /nfs/dbraw/zinc/91/52/83/187915283.db2.gz KTGRLVLATCCWKC-SNVBAGLBSA-N 1 0 263.297 1.337 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)CCC[NH3+] ZINC000295160282 199379729 /nfs/dbraw/zinc/37/97/29/199379729.db2.gz DTKPREBADFBUAW-JTQLQIEISA-N 1 0 265.313 1.760 20 5 CDBDRO CC(C)N(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000151855580 187982402 /nfs/dbraw/zinc/98/24/02/187982402.db2.gz JIAAOUPPFQEUMO-UHFFFAOYSA-N 1 0 269.301 1.600 20 5 CDBDRO C[C@H](CN1CCOCC1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000271664023 191266268 /nfs/dbraw/zinc/26/62/68/191266268.db2.gz YVBQFUYNOKDTCA-CYBMUJFWSA-N 1 0 293.367 1.747 20 5 CDBDRO COc1cc(C(=O)NC2(C[NH3+])CCCC2)ccc1[N+](=O)[O-] ZINC000156714129 188278141 /nfs/dbraw/zinc/27/81/41/188278141.db2.gz MXSQDLXNMQKKBW-UHFFFAOYSA-N 1 0 293.323 1.605 20 5 CDBDRO CC[NH+](CC)CCCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000157302021 188309062 /nfs/dbraw/zinc/30/90/62/188309062.db2.gz POAQVGSNUAIBIY-UHFFFAOYSA-N 1 0 294.355 1.639 20 5 CDBDRO CCc1ccc(C(=O)N2CC([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000158265641 188367584 /nfs/dbraw/zinc/36/75/84/188367584.db2.gz ORANUESURXCESH-UHFFFAOYSA-N 1 0 277.324 1.543 20 5 CDBDRO CC1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000279800173 363303137 /nfs/dbraw/zinc/30/31/37/363303137.db2.gz PATWKVBZNMUAAR-ZDUSSCGKSA-N 1 0 264.325 1.840 20 5 CDBDRO Cc1ccc(C(=O)NC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000036962382 363298475 /nfs/dbraw/zinc/29/84/75/363298475.db2.gz IEQZRBXZEWIJJE-UHFFFAOYSA-N 1 0 263.297 1.385 20 5 CDBDRO C[C@@H](NC(=O)N[C@H]1CC[NH2+][C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001579411184 1172170246 /nfs/dbraw/zinc/17/02/46/1172170246.db2.gz OJBZKSOKLYYJEF-BREBYQMCSA-N 1 0 292.339 1.705 20 5 CDBDRO CCc1ccc(C(=O)NC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000273024028 192022741 /nfs/dbraw/zinc/02/27/41/192022741.db2.gz LJQPNXBAKDGHLE-JTQLQIEISA-N 1 0 277.324 1.497 20 5 CDBDRO C[N@H+](CCC(N)=O)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000286315132 356251449 /nfs/dbraw/zinc/25/14/49/356251449.db2.gz FEKCWYQTADKCEG-UHFFFAOYSA-N 1 0 278.268 1.043 20 5 CDBDRO CC[N@H+]1C[C@@H](C)N(CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000331329630 357440621 /nfs/dbraw/zinc/44/06/21/357440621.db2.gz HBUNTWBKUNVHOS-TXEJJXNPSA-N 1 0 281.360 1.206 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)CO ZINC000282861631 357479028 /nfs/dbraw/zinc/47/90/28/357479028.db2.gz TUSLDFASDKOEIE-NSHDSACASA-N 1 0 295.339 1.544 20 5 CDBDRO Cc1cc(C(=O)NCC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000023013519 357613225 /nfs/dbraw/zinc/61/32/25/357613225.db2.gz CMRISHPSNHNOBA-UHFFFAOYSA-N 1 0 291.351 1.975 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc([N+](=O)[O-])c1 ZINC000135242325 357802250 /nfs/dbraw/zinc/80/22/50/357802250.db2.gz FTCKEZFPNGCVQD-OLZOCXBDSA-N 1 0 289.335 1.870 20 5 CDBDRO CC[C@@H](NC(=O)[C@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000187979449 357831333 /nfs/dbraw/zinc/83/13/33/357831333.db2.gz SMCWNWSZRDKJDD-CHWSQXEVSA-N 1 0 293.323 1.151 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCOCCO ZINC000337422060 358033342 /nfs/dbraw/zinc/03/33/42/358033342.db2.gz BOADIYGPTLMSQE-LBPRGKRZSA-N 1 0 282.340 1.905 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000127327938 358117955 /nfs/dbraw/zinc/11/79/55/358117955.db2.gz FTJZGHIGENPZCV-JGVFFNPUSA-N 1 0 270.720 1.817 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000361357650 358165846 /nfs/dbraw/zinc/16/58/46/358165846.db2.gz SZZPPKNOWDXMHR-CYBMUJFWSA-N 1 0 266.297 1.694 20 5 CDBDRO C[C@H](CNc1cc(N)ccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000193451965 358294904 /nfs/dbraw/zinc/29/49/04/358294904.db2.gz NTLQBOHOXAWRAL-LLVKDONJSA-N 1 0 294.355 1.557 20 5 CDBDRO C[C@@H]([NH2+]CCN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000341569024 358661055 /nfs/dbraw/zinc/66/10/55/358661055.db2.gz CDXUBWSYDHFGFG-LLVKDONJSA-N 1 0 277.324 1.868 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000227975862 358688424 /nfs/dbraw/zinc/68/84/24/358688424.db2.gz FJHPAOHWAWTMFN-FZMZJTMJSA-N 1 0 280.324 1.533 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000264848546 358746428 /nfs/dbraw/zinc/74/64/28/358746428.db2.gz BOOJYUWQOLIZDF-SECBINFHSA-N 1 0 283.303 1.804 20 5 CDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000185187195 358776881 /nfs/dbraw/zinc/77/68/81/358776881.db2.gz LFBKGCJQFDMIPO-YNEHKIRRSA-N 1 0 289.335 1.333 20 5 CDBDRO [NH3+]C1(c2noc(-c3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000261792204 283408236 /nfs/dbraw/zinc/40/82/36/283408236.db2.gz GGAOQPSRBSPBTF-UHFFFAOYSA-N 1 0 260.253 1.983 20 5 CDBDRO C[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000342420715 359049147 /nfs/dbraw/zinc/04/91/47/359049147.db2.gz OAHHTPYEVSYCFN-CABZTGNLSA-N 1 0 284.337 1.118 20 5 CDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000106882171 359010027 /nfs/dbraw/zinc/01/00/27/359010027.db2.gz SUQBJWGPHCFDQN-LLVKDONJSA-N 1 0 266.297 1.694 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH3+])CCC2)c1 ZINC000342616307 359143985 /nfs/dbraw/zinc/14/39/85/359143985.db2.gz HTFRVOBWPVLADC-UHFFFAOYSA-N 1 0 295.364 1.928 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601163042 359154731 /nfs/dbraw/zinc/15/47/31/359154731.db2.gz AKEUXZJDCTZDSA-JTQLQIEISA-N 1 0 274.324 1.927 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](CC3CC3)C2)c1 ZINC000339671971 359426162 /nfs/dbraw/zinc/42/61/62/359426162.db2.gz KNGHZMTVAFWYGG-GFCCVEGCSA-N 1 0 264.329 1.913 20 5 CDBDRO C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000050162584 359599695 /nfs/dbraw/zinc/59/96/95/359599695.db2.gz AFMAXSQRCHZTNB-AAEUAGOBSA-N 1 0 291.351 1.642 20 5 CDBDRO O=[N+]([O-])c1ccn(CCSCC2CC[NH2+]CC2)n1 ZINC000571795685 359619126 /nfs/dbraw/zinc/61/91/26/359619126.db2.gz LDWLYBFHIAIXNC-UHFFFAOYSA-N 1 0 270.358 1.524 20 5 CDBDRO CC[N@H+](C)CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297131271 200093625 /nfs/dbraw/zinc/09/36/25/200093625.db2.gz HPWGKZUKVBATBF-NSHDSACASA-N 1 0 294.355 1.907 20 5 CDBDRO C[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173389779 237340218 /nfs/dbraw/zinc/34/02/18/237340218.db2.gz JZDVVIZPOOXGIL-OLZOCXBDSA-N 1 0 293.367 1.966 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CN(C)c1ncc([N+](=O)[O-])c(C)n1 ZINC000297467029 200201381 /nfs/dbraw/zinc/20/13/81/200201381.db2.gz KMDOSUJSFQDLAN-NSHDSACASA-N 1 0 279.344 1.614 20 5 CDBDRO CS[C@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)C[C@H]1[NH+](C)C ZINC000297641691 200249654 /nfs/dbraw/zinc/24/96/54/200249654.db2.gz XVJMUFLMKPBSPM-MNOVXSKESA-N 1 0 297.384 1.175 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235381511 360074782 /nfs/dbraw/zinc/07/47/82/360074782.db2.gz VDQKPIXGUKHIJP-SCZZXKLOSA-N 1 0 281.287 1.604 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000177022235 189021293 /nfs/dbraw/zinc/02/12/93/189021293.db2.gz AQWDMZJQSZBVBX-UHFFFAOYSA-N 1 0 266.301 1.620 20 5 CDBDRO C[C@@H](C(=O)NCC[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000514822741 360234444 /nfs/dbraw/zinc/23/44/44/360234444.db2.gz ZMEPVKHANJBJNU-LLVKDONJSA-N 1 0 291.351 1.909 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000147904406 360498881 /nfs/dbraw/zinc/49/88/81/360498881.db2.gz CQMXDPHJGQOOLI-SNVBAGLBSA-N 1 0 263.297 1.337 20 5 CDBDRO COc1ccc(OCC[N@@H+]2CC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000177967874 189082357 /nfs/dbraw/zinc/08/23/57/189082357.db2.gz ZXQZPZQWUKOPBO-CQSZACIVSA-N 1 0 296.323 1.439 20 5 CDBDRO [NH3+]C[C@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000178544497 189125767 /nfs/dbraw/zinc/12/57/67/189125767.db2.gz KYGURTHQFDRFHR-MRVPVSSYSA-N 1 0 283.715 1.669 20 5 CDBDRO Cc1sc(C(=O)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000178758153 189143484 /nfs/dbraw/zinc/14/34/84/189143484.db2.gz FZPJQLSKZBUYAK-MRVPVSSYSA-N 1 0 269.326 1.447 20 5 CDBDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000161729529 360776890 /nfs/dbraw/zinc/77/68/90/360776890.db2.gz BFHZSAOQOQYCJS-GXSJLCMTSA-N 1 0 268.288 1.937 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@H+](Cc2cccnc2)C2CC2)c1 ZINC000180731040 189272605 /nfs/dbraw/zinc/27/26/05/189272605.db2.gz OUJWFUMUYVVYPW-UHFFFAOYSA-N 1 0 287.323 1.851 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H](C)[NH2+]1 ZINC000070076074 361238689 /nfs/dbraw/zinc/23/86/89/361238689.db2.gz TVOPSNYRYDKIOY-HTQZYQBOSA-N 1 0 269.326 1.479 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000168628094 361344834 /nfs/dbraw/zinc/34/48/34/361344834.db2.gz ZDSSAJHIAAOYEV-MNOVXSKESA-N 1 0 279.340 1.773 20 5 CDBDRO [NH3+][C@@H](CC(F)F)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000345682674 361394890 /nfs/dbraw/zinc/39/48/90/361394890.db2.gz AZZGVOURGIIBNB-VIFPVBQESA-N 1 0 285.250 1.466 20 5 CDBDRO CC[N@H+](CCNc1ncc([N+](=O)[O-])cn1)C(C)C ZINC000302180668 201386032 /nfs/dbraw/zinc/38/60/32/201386032.db2.gz ZGPBDNAVNMKXJA-UHFFFAOYSA-N 1 0 253.306 1.527 20 5 CDBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000305236115 239388908 /nfs/dbraw/zinc/38/89/08/239388908.db2.gz XHEGUUQJKPEKTA-QWRGUYRKSA-N 1 0 268.317 1.027 20 5 CDBDRO C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000581245703 363974874 /nfs/dbraw/zinc/97/48/74/363974874.db2.gz QBGDEXCXVORCTF-RISCZKNCSA-N 1 0 279.340 1.704 20 5 CDBDRO Cc1nc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000582527516 364141032 /nfs/dbraw/zinc/14/10/32/364141032.db2.gz BWMBEOOBFXOPNO-WPRPVWTQSA-N 1 0 265.317 1.588 20 5 CDBDRO COCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000171127715 376190108 /nfs/dbraw/zinc/19/01/08/376190108.db2.gz GESYKKVZCQNDFN-UHFFFAOYSA-N 1 0 295.339 1.211 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000074534966 364440084 /nfs/dbraw/zinc/44/00/84/364440084.db2.gz GODJBUCVVKINKN-UHFFFAOYSA-N 1 0 267.285 1.024 20 5 CDBDRO CN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000264215520 364616625 /nfs/dbraw/zinc/61/66/25/364616625.db2.gz NPOJMMOSILWEJD-UHFFFAOYSA-N 1 0 264.329 1.768 20 5 CDBDRO C[NH+](C)C1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000270716133 366925936 /nfs/dbraw/zinc/92/59/36/366925936.db2.gz AMXLZJDAUGMWOR-UHFFFAOYSA-N 1 0 291.351 1.645 20 5 CDBDRO CC[C@@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1O ZINC000270822784 366935185 /nfs/dbraw/zinc/93/51/85/366935185.db2.gz BLBVUJNPLWMOHR-DGCLKSJQSA-N 1 0 280.324 1.806 20 5 CDBDRO O=C(N1CCc2ccc([N+](=O)[O-])cc21)[C@]1(F)CC[NH2+]C1 ZINC000370800350 283895819 /nfs/dbraw/zinc/89/58/19/283895819.db2.gz MEGCRPGAJQGZRF-ZDUSSCGKSA-N 1 0 279.271 1.186 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000161112279 367122501 /nfs/dbraw/zinc/12/25/01/367122501.db2.gz QQIOBUJHWGJKHA-UWVGGRQHSA-N 1 0 281.287 1.734 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000415378179 241662906 /nfs/dbraw/zinc/66/29/06/241662906.db2.gz BYSSDWNFLGZNEI-NXEZZACHSA-N 1 0 293.327 1.051 20 5 CDBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1COC[C@@H]1O ZINC000348631925 367591022 /nfs/dbraw/zinc/59/10/22/367591022.db2.gz GKLBVUOIGOOYSD-HXINVUTJSA-N 1 0 278.308 1.300 20 5 CDBDRO C[C@@H](NC(=O)NC[C@@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417128316 242329142 /nfs/dbraw/zinc/32/91/42/242329142.db2.gz IBFCPKSETFNOCB-VHSXEESVSA-N 1 0 280.328 1.550 20 5 CDBDRO C[C@@H](NC(=O)N(C)CC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417135993 242332809 /nfs/dbraw/zinc/33/28/09/242332809.db2.gz JXTVPTMISVKSNW-SECBINFHSA-N 1 0 266.301 1.256 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000089091129 368827559 /nfs/dbraw/zinc/82/75/59/368827559.db2.gz NIFNDNPRPMJBNQ-NWDGAFQWSA-N 1 0 277.324 1.381 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000089108772 368976192 /nfs/dbraw/zinc/97/61/92/368976192.db2.gz BGQHQUZBMYNYOJ-ONGXEEELSA-N 1 0 250.302 1.919 20 5 CDBDRO Cc1nc(NC[C@H]2[NH2+]CCCC2(C)C)ncc1[N+](=O)[O-] ZINC000420238164 243962310 /nfs/dbraw/zinc/96/23/10/243962310.db2.gz GVCFQWZUGNOLFJ-LLVKDONJSA-N 1 0 279.344 1.883 20 5 CDBDRO Cc1nc(NC[C@@H]2[NH2+]CCCC2(C)C)ncc1[N+](=O)[O-] ZINC000420238167 243962622 /nfs/dbraw/zinc/96/26/22/243962622.db2.gz GVCFQWZUGNOLFJ-NSHDSACASA-N 1 0 279.344 1.883 20 5 CDBDRO [NH3+]C1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000037563240 369081353 /nfs/dbraw/zinc/08/13/53/369081353.db2.gz FEWJMQAWEDNXCU-UHFFFAOYSA-N 1 0 255.299 1.220 20 5 CDBDRO C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000420330760 244096275 /nfs/dbraw/zinc/09/62/75/244096275.db2.gz BRNQCJAZCFIURT-NSHDSACASA-N 1 0 265.313 1.267 20 5 CDBDRO C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000420341715 244114498 /nfs/dbraw/zinc/11/44/98/244114498.db2.gz VNDFMQKQVHYMSV-NSHDSACASA-N 1 0 265.313 1.267 20 5 CDBDRO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000420405487 244205498 /nfs/dbraw/zinc/20/54/98/244205498.db2.gz SXFLSWUHLCGCKB-VXGBXAGGSA-N 1 0 279.340 1.656 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000330894469 203361727 /nfs/dbraw/zinc/36/17/27/203361727.db2.gz FISFNFVPXZSOEA-AAEUAGOBSA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000330906795 203378202 /nfs/dbraw/zinc/37/82/02/203378202.db2.gz NOGQNNIYBHVNRB-CMPLNLGQSA-N 1 0 277.324 1.807 20 5 CDBDRO CC(C)[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CS1 ZINC000277066157 193545926 /nfs/dbraw/zinc/54/59/26/193545926.db2.gz DNGYNRVQLBGIHX-JQWIXIFHSA-N 1 0 284.385 1.911 20 5 CDBDRO CNC(=O)c1ccc(NC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000053552185 370291952 /nfs/dbraw/zinc/29/19/52/370291952.db2.gz KHRTYNAXQYSBJK-UHFFFAOYSA-N 1 0 292.339 1.461 20 5 CDBDRO CC[NH+](CC)CCNc1ncc([N+](=O)[O-])c(C)n1 ZINC000295526084 370456422 /nfs/dbraw/zinc/45/64/22/370456422.db2.gz SJKKBBXUZXYUAK-UHFFFAOYSA-N 1 0 253.306 1.447 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H](C)C[C@@H](C)[NH3+] ZINC000422722663 245179749 /nfs/dbraw/zinc/17/97/49/245179749.db2.gz YKSPKDMEDKZGMG-NXEZZACHSA-N 1 0 267.329 1.819 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000422860440 245344056 /nfs/dbraw/zinc/34/40/56/245344056.db2.gz MGUJPMOXVVFLGB-SNVBAGLBSA-N 1 0 293.323 1.461 20 5 CDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@](C)(C[NH3+])CC(C)C)n1 ZINC000422852687 245334233 /nfs/dbraw/zinc/33/42/33/245334233.db2.gz RBGGLPGQESLCDG-ZDUSSCGKSA-N 1 0 297.359 1.305 20 5 CDBDRO Cc1c(CC(=O)NC[C@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000269616680 373151568 /nfs/dbraw/zinc/15/15/68/373151568.db2.gz LYNLJWWMTIDXRG-JTQLQIEISA-N 1 0 279.340 1.512 20 5 CDBDRO CO[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269621890 373148569 /nfs/dbraw/zinc/14/85/69/373148569.db2.gz BFKQNKYDHXRYNA-STQMWFEESA-N 1 0 266.297 1.349 20 5 CDBDRO Cc1ccnc(NC[C@H](C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000301306963 373504190 /nfs/dbraw/zinc/50/41/90/373504190.db2.gz VJFGJMGKSYTPNH-LBPRGKRZSA-N 1 0 293.371 1.346 20 5 CDBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000347099039 373755560 /nfs/dbraw/zinc/75/55/60/373755560.db2.gz JDCZQDJXYVXTNO-JQWIXIFHSA-N 1 0 278.308 1.978 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000036282145 373872455 /nfs/dbraw/zinc/87/24/55/373872455.db2.gz PAATUSRREGSMAA-UHFFFAOYSA-N 1 0 285.731 1.978 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000423672206 245970136 /nfs/dbraw/zinc/97/01/36/245970136.db2.gz DGCTVTJRHMBOSB-IUCAKERBSA-N 1 0 281.312 1.459 20 5 CDBDRO O=C(C[NH2+]CC1CC1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423720465 246002750 /nfs/dbraw/zinc/00/27/50/246002750.db2.gz HGRWLQZQFYZUDR-UHFFFAOYSA-N 1 0 289.295 1.409 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000113513612 374261180 /nfs/dbraw/zinc/26/11/80/374261180.db2.gz ADNBJJOMCMWTHQ-CYBMUJFWSA-N 1 0 293.367 1.857 20 5 CDBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1csc([N+](=O)[O-])c1 ZINC000299050470 374338538 /nfs/dbraw/zinc/33/85/38/374338538.db2.gz SJHSPTGVKORINM-SECBINFHSA-N 1 0 295.364 1.870 20 5 CDBDRO [NH3+]CCCC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423841200 246136211 /nfs/dbraw/zinc/13/62/11/246136211.db2.gz JKBQVGXNLOWHNZ-UHFFFAOYSA-N 1 0 271.704 1.603 20 5 CDBDRO Cc1sc(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000370165445 374381168 /nfs/dbraw/zinc/38/11/68/374381168.db2.gz VLJZEXRZWLXUCH-UWVGGRQHSA-N 1 0 295.364 1.789 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH3+])c1 ZINC000423535199 374390149 /nfs/dbraw/zinc/39/01/49/374390149.db2.gz CIDQWKINTGOFDN-MRVPVSSYSA-N 1 0 267.285 1.071 20 5 CDBDRO CSc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000423945224 246241848 /nfs/dbraw/zinc/24/18/48/246241848.db2.gz HYTPWEHPJDDNOK-PSASIEDQSA-N 1 0 295.364 1.736 20 5 CDBDRO CCc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000423988723 246269872 /nfs/dbraw/zinc/26/98/72/246269872.db2.gz YAWVCBDSQDLGSZ-BXKDBHETSA-N 1 0 277.324 1.576 20 5 CDBDRO Cc1c(C[NH2+][C@H](C)CS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000081903934 374562907 /nfs/dbraw/zinc/56/29/07/374562907.db2.gz SJJRKUPYAASIMB-SECBINFHSA-N 1 0 286.353 1.426 20 5 CDBDRO O=[N+]([O-])c1cc(CNC[C@@H]2CCC[N@H+]2CCCO)cs1 ZINC000449390294 374806301 /nfs/dbraw/zinc/80/63/01/374806301.db2.gz VTWMULBREPOHHK-LBPRGKRZSA-N 1 0 299.396 1.593 20 5 CDBDRO CC(=O)N[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000330450263 374855299 /nfs/dbraw/zinc/85/52/99/374855299.db2.gz JICGCJFLSWKYCA-CQSZACIVSA-N 1 0 291.351 1.738 20 5 CDBDRO CCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000330532533 374860151 /nfs/dbraw/zinc/86/01/51/374860151.db2.gz HOIBNLJWYPKCBF-UHFFFAOYSA-N 1 0 294.355 1.538 20 5 CDBDRO COC[C@@H](CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000279630138 374937921 /nfs/dbraw/zinc/93/79/21/374937921.db2.gz BSYPEDLJJQZRAO-FVOPLDGLSA-N 1 0 266.297 1.205 20 5 CDBDRO C[C@@H]1C[N@H+](C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332219071 375015705 /nfs/dbraw/zinc/01/57/05/375015705.db2.gz IPICDSMPFLWOMN-SNVBAGLBSA-N 1 0 289.339 1.607 20 5 CDBDRO COCC[C@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000282289296 375077392 /nfs/dbraw/zinc/07/73/92/375077392.db2.gz RAXYSAZQQIMCGS-SECBINFHSA-N 1 0 260.315 1.143 20 5 CDBDRO CCCCNC(=O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282433427 375086556 /nfs/dbraw/zinc/08/65/56/375086556.db2.gz KHXJQLGEZDVPHT-UHFFFAOYSA-N 1 0 293.367 1.985 20 5 CDBDRO CCOc1cc(C[N@H+](C)CCOCCO)ccc1[N+](=O)[O-] ZINC000282530655 375093553 /nfs/dbraw/zinc/09/35/53/375093553.db2.gz QEDMBYATDMJHST-UHFFFAOYSA-N 1 0 298.339 1.434 20 5 CDBDRO C[C@@H](CO)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000282665664 375098777 /nfs/dbraw/zinc/09/87/77/375098777.db2.gz BWVZHBIIRBDIPF-JTQLQIEISA-N 1 0 254.286 1.286 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161971030 375245650 /nfs/dbraw/zinc/24/56/50/375245650.db2.gz ZAQFDUFZFZWQDO-UWVGGRQHSA-N 1 0 293.323 1.603 20 5 CDBDRO C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000351910455 375341438 /nfs/dbraw/zinc/34/14/38/375341438.db2.gz RZKNMHWGHDSFLD-MFKMUULPSA-N 1 0 277.324 1.866 20 5 CDBDRO CC(C)NC(=O)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293948880 375460811 /nfs/dbraw/zinc/46/08/11/375460811.db2.gz ZDDZHXQFTCSKAZ-JTQLQIEISA-N 1 0 294.355 1.742 20 5 CDBDRO CSc1ccc(C(=O)NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000160059573 375546236 /nfs/dbraw/zinc/54/62/36/375546236.db2.gz IZOOKVPUXXDNNI-UHFFFAOYSA-N 1 0 283.353 1.784 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000237811512 375592080 /nfs/dbraw/zinc/59/20/80/375592080.db2.gz GEQBZSONGMGOSP-SECBINFHSA-N 1 0 297.742 1.978 20 5 CDBDRO CC[N@H+](CCNc1ncccc1[N+](=O)[O-])C1CC1 ZINC000227549741 375558258 /nfs/dbraw/zinc/55/82/58/375558258.db2.gz CITCRZYJEGEYBA-UHFFFAOYSA-N 1 0 250.302 1.886 20 5 CDBDRO C[C@@H]1C[C@H](C)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305230541 375576185 /nfs/dbraw/zinc/57/61/85/375576185.db2.gz RNCBSGLQYLOCIF-BZPMIXESSA-N 1 0 296.371 1.520 20 5 CDBDRO COc1cc(C[NH2+]C[C@@H](CO)C2CC2)c([N+](=O)[O-])cc1O ZINC000353106388 375576645 /nfs/dbraw/zinc/57/66/45/375576645.db2.gz HHELGTPGKRWUDL-NSHDSACASA-N 1 0 296.323 1.417 20 5 CDBDRO CCC(CC)(C[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132730635 375580714 /nfs/dbraw/zinc/58/07/14/375580714.db2.gz UMPQLZXEKFBEPW-UHFFFAOYSA-N 1 0 283.303 1.981 20 5 CDBDRO O=[N+]([O-])c1ncccc1N1CC[NH+](CC2CC2)CC1 ZINC000603870659 375617746 /nfs/dbraw/zinc/61/77/46/375617746.db2.gz RJYPUTNRWJKBPP-UHFFFAOYSA-N 1 0 262.313 1.522 20 5 CDBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000354218929 375686162 /nfs/dbraw/zinc/68/61/62/375686162.db2.gz BYQYPYIFJLMJPO-NXEZZACHSA-N 1 0 277.324 1.924 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000133240433 375730607 /nfs/dbraw/zinc/73/06/07/375730607.db2.gz NMYMVMOUOROMHM-NSHDSACASA-N 1 0 293.323 1.184 20 5 CDBDRO CS[C@H](CO)[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000228382017 375753659 /nfs/dbraw/zinc/75/36/59/375753659.db2.gz DMJQJVMWZMILMZ-GXFFZTMASA-N 1 0 284.381 1.839 20 5 CDBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 ZINC000294228989 375801202 /nfs/dbraw/zinc/80/12/02/375801202.db2.gz RKCNIRNQAFWPCT-AWEZNQCLSA-N 1 0 293.323 1.746 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000307853296 375828841 /nfs/dbraw/zinc/82/88/41/375828841.db2.gz AIBAZBNSLJFHPN-LLVKDONJSA-N 1 0 263.297 1.465 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1C[NH2+]CCO1 ZINC000134267006 375946884 /nfs/dbraw/zinc/94/68/84/375946884.db2.gz HLOSHWKHHDEWHG-LLVKDONJSA-N 1 0 251.286 1.304 20 5 CDBDRO Cc1c([C@H](C)[NH2+]C[C@@H](O)[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000358047827 375947647 /nfs/dbraw/zinc/94/76/47/375947647.db2.gz OIUXYSXWXFPFTK-YWPYICTPSA-N 1 0 294.351 1.951 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCO[C@H]1C ZINC000120991980 377049407 /nfs/dbraw/zinc/04/94/07/377049407.db2.gz IYDKJMVGCWOILK-JOYOIKCWSA-N 1 0 266.297 1.870 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000189304831 377228462 /nfs/dbraw/zinc/22/84/62/377228462.db2.gz ATOJFIGMAZDOTO-KOLCDFICSA-N 1 0 263.297 1.465 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000172029404 377234548 /nfs/dbraw/zinc/23/45/48/377234548.db2.gz FNOQFXSYJJPSPG-LBPRGKRZSA-N 1 0 291.351 1.927 20 5 CDBDRO Cc1c(C[N@@H+]2CCC[C@@H](OCCO)C2)cccc1[N+](=O)[O-] ZINC000172293975 377431734 /nfs/dbraw/zinc/43/17/34/377431734.db2.gz BLZQTTBXXJZRDG-CQSZACIVSA-N 1 0 294.351 1.877 20 5 CDBDRO Cc1cc(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000266839406 377463549 /nfs/dbraw/zinc/46/35/49/377463549.db2.gz LOKLGSLAZDLRPQ-VXGBXAGGSA-N 1 0 294.355 1.190 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCF)n1 ZINC000436280825 249391135 /nfs/dbraw/zinc/39/11/35/249391135.db2.gz FLKOEJBALBLYCF-UWVGGRQHSA-N 1 0 256.281 1.834 20 5 CDBDRO C[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000547756130 377822985 /nfs/dbraw/zinc/82/29/85/377822985.db2.gz ARBGVZSXDFLKRX-SNVBAGLBSA-N 1 0 295.343 1.170 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+][C@]2(CCO)CCOC2)cs1 ZINC000278553080 194040184 /nfs/dbraw/zinc/04/01/84/194040184.db2.gz ZLDZLEQKKXLPII-LLVKDONJSA-N 1 0 272.326 1.287 20 5 CDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCC[C@H]1CCC[NH2+]1 ZINC000444263269 250109776 /nfs/dbraw/zinc/10/97/76/250109776.db2.gz DXISMEZBCDQSCD-LLVKDONJSA-N 1 0 293.323 1.232 20 5 CDBDRO O=C(COc1ccccc1[N+](=O)[O-])NCC[C@H]1CCC[NH2+]1 ZINC000444261014 250109788 /nfs/dbraw/zinc/10/97/88/250109788.db2.gz CNMYHLJRWYZWDS-LLVKDONJSA-N 1 0 293.323 1.232 20 5 CDBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000278750862 194137685 /nfs/dbraw/zinc/13/76/85/194137685.db2.gz WKPIKRUXJYWXHY-ZIAGYGMSSA-N 1 0 280.324 1.878 20 5 CDBDRO CC[C@@]1(C)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000344205836 379256366 /nfs/dbraw/zinc/25/63/66/379256366.db2.gz AOWHFGQCLTXPBD-LBPRGKRZSA-N 1 0 252.318 1.913 20 5 CDBDRO C[C@@H](O)CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000450482374 251304913 /nfs/dbraw/zinc/30/49/13/251304913.db2.gz GIKWAIWEOUZLRJ-SNVBAGLBSA-N 1 0 250.298 1.724 20 5 CDBDRO CCC1(CC)C[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000453022644 252253425 /nfs/dbraw/zinc/25/34/25/252253425.db2.gz QPDQTPPMMBFAKG-LBPRGKRZSA-N 1 0 282.344 1.274 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)CN(C)C ZINC000453098630 252269004 /nfs/dbraw/zinc/26/90/04/252269004.db2.gz JQSQEHCICIHLGB-YPMHNXCESA-N 1 0 281.356 1.038 20 5 CDBDRO C[C@@H](NC(=O)/C=C\C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000491880769 253110983 /nfs/dbraw/zinc/11/09/83/253110983.db2.gz FCSILJAQCQOBRW-UIJKISKDSA-N 1 0 277.324 1.890 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000289383523 197321436 /nfs/dbraw/zinc/32/14/36/197321436.db2.gz JIYCGTDRPXHLOE-CYBMUJFWSA-N 1 0 291.351 1.879 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493431557 253459789 /nfs/dbraw/zinc/45/97/89/253459789.db2.gz KWFHKFGTLMHXOC-OAQKJQOQSA-N 1 0 295.314 1.719 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H]1CCC[NH2+]C1)CC2 ZINC000346844069 285142000 /nfs/dbraw/zinc/14/20/00/285142000.db2.gz KRILGBPBRBJGRY-GFCCVEGCSA-N 1 0 275.352 1.953 20 5 CDBDRO COC1(CO)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000401707298 390219694 /nfs/dbraw/zinc/21/96/94/390219694.db2.gz FLNKQCSDAGFUSP-UHFFFAOYSA-N 1 0 280.324 1.568 20 5 CDBDRO CO[C@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000451486319 390627140 /nfs/dbraw/zinc/62/71/40/390627140.db2.gz DREPDEVLQYFVBQ-MNOVXSKESA-N 1 0 268.317 1.194 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H](F)C2)c1 ZINC000451192309 390605087 /nfs/dbraw/zinc/60/50/87/390605087.db2.gz SLDCTNVCLPCLLT-PWSUYJOCSA-N 1 0 284.287 1.378 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCC1(O)CCC1 ZINC000283823158 195927220 /nfs/dbraw/zinc/92/72/20/195927220.db2.gz DCGJEURCBRAMIJ-UHFFFAOYSA-N 1 0 250.298 1.990 20 5 CDBDRO CNC(=O)[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449202867 390799050 /nfs/dbraw/zinc/79/90/50/390799050.db2.gz KOIJVWYMZKCQLF-SMDDNHRTSA-N 1 0 293.367 1.886 20 5 CDBDRO C[C@@H]([NH2+]CCNC(=O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000135794508 390873162 /nfs/dbraw/zinc/87/31/62/390873162.db2.gz PGDYDKLDHAFDMJ-SNVBAGLBSA-N 1 0 277.324 1.772 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000286915073 390815188 /nfs/dbraw/zinc/81/51/88/390815188.db2.gz HWMIKUACVOUVSZ-NSHDSACASA-N 1 0 294.355 1.097 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(CCn3ccc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000158819963 390941196 /nfs/dbraw/zinc/94/11/96/390941196.db2.gz JWIWRPJQSGFBKI-OLZOCXBDSA-N 1 0 293.371 1.207 20 5 CDBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000166680990 390901356 /nfs/dbraw/zinc/90/13/56/390901356.db2.gz DCKKFZXZJTVUAB-LLVKDONJSA-N 1 0 263.297 1.467 20 5 CDBDRO CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000517582917 391184587 /nfs/dbraw/zinc/18/45/87/391184587.db2.gz CBNSFTBQKPLMAD-LBPRGKRZSA-N 1 0 270.333 1.273 20 5 CDBDRO Cc1nc(NCC[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000413443890 391214830 /nfs/dbraw/zinc/21/48/30/391214830.db2.gz ROJXQIVOAFIUJJ-GFCCVEGCSA-N 1 0 278.356 1.864 20 5 CDBDRO C[C@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000323259490 391412025 /nfs/dbraw/zinc/41/20/25/391412025.db2.gz GITKKPWSHVHADR-XXILOJSOSA-N 1 0 252.270 1.005 20 5 CDBDRO C[C@H]1C[NH2+]CCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000026579416 391393636 /nfs/dbraw/zinc/39/36/36/391393636.db2.gz FKUBYYORONCDIQ-JTQLQIEISA-N 1 0 272.308 1.941 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415627905 391469627 /nfs/dbraw/zinc/46/96/27/391469627.db2.gz DCLXJCAWLYGVRI-PRHODGIISA-N 1 0 296.302 1.853 20 5 CDBDRO C[N@@H+]1CC[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000521071609 391508564 /nfs/dbraw/zinc/50/85/64/391508564.db2.gz WYSHSHGUIHNZOH-NSHDSACASA-N 1 0 275.308 1.436 20 5 CDBDRO CO[C@@]1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCOC1 ZINC000449246465 391648799 /nfs/dbraw/zinc/64/87/99/391648799.db2.gz DJHYTYZLJCYHMQ-SWLSCSKDSA-N 1 0 294.351 1.921 20 5 CDBDRO C[C@H]1CSCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000190393516 130098417 /nfs/dbraw/zinc/09/84/17/130098417.db2.gz BSVUZTAYUIDANZ-LLVKDONJSA-N 1 0 297.380 1.441 20 5 CDBDRO C[C@@H](O)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000190813754 130149854 /nfs/dbraw/zinc/14/98/54/130149854.db2.gz ZJRBNPCTAYTSRZ-NWDGAFQWSA-N 1 0 298.339 1.037 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000190899361 130159695 /nfs/dbraw/zinc/15/96/95/130159695.db2.gz FPVMGGDKKQDSJX-WDEREUQCSA-N 1 0 298.339 1.167 20 5 CDBDRO Cc1c(C[N@@H+](C[C@H](C)O)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000190905023 130161596 /nfs/dbraw/zinc/16/15/96/130161596.db2.gz QKVWHAPTJBNZSI-QWRGUYRKSA-N 1 0 282.340 1.467 20 5 CDBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000059391589 391935207 /nfs/dbraw/zinc/93/52/07/391935207.db2.gz HKCBCNKFZJLEDI-CQSZACIVSA-N 1 0 291.351 1.690 20 5 CDBDRO C[C@H](C1CCC1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000357046091 391937584 /nfs/dbraw/zinc/93/75/84/391937584.db2.gz XQGDUCBRPLSJMK-SECBINFHSA-N 1 0 252.318 1.949 20 5 CDBDRO CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@@H+]1C ZINC000487121691 391991501 /nfs/dbraw/zinc/99/15/01/391991501.db2.gz UMQRAISTWZOPOV-GFCCVEGCSA-N 1 0 264.329 1.766 20 5 CDBDRO COC[C@H](O)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449205106 392122534 /nfs/dbraw/zinc/12/25/34/392122534.db2.gz KXGUPLLSWYZNSB-DGCLKSJQSA-N 1 0 282.340 1.513 20 5 CDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000237891399 131063913 /nfs/dbraw/zinc/06/39/13/131063913.db2.gz XEKGDQWBUJLDBB-NSHDSACASA-N 1 0 263.297 1.006 20 5 CDBDRO [NH3+]CC1(NC(=O)CCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000238014321 131072420 /nfs/dbraw/zinc/07/24/20/131072420.db2.gz AXPTYKBKFULDEJ-UHFFFAOYSA-N 1 0 291.351 1.915 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261664941 131160174 /nfs/dbraw/zinc/16/01/74/131160174.db2.gz FKVQBIQLIRCYIJ-GBIKHYSHSA-N 1 0 277.324 1.711 20 5 CDBDRO CCC[C@](C)([NH3+])C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262211559 131202017 /nfs/dbraw/zinc/20/20/17/131202017.db2.gz DXTVQDFWYFJUSH-ZDUSSCGKSA-N 1 0 291.311 1.927 20 5 CDBDRO Cc1cc(C(=O)NCC[C@H]2CC[NH2+]C2)c(N)c([N+](=O)[O-])c1 ZINC000262566937 131234740 /nfs/dbraw/zinc/23/47/40/131234740.db2.gz DLOVPWGYSLMYQX-SNVBAGLBSA-N 1 0 292.339 1.215 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000262611734 131241053 /nfs/dbraw/zinc/24/10/53/131241053.db2.gz XGPNUXYOKVZJMT-SNVBAGLBSA-N 1 0 281.312 1.169 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000262757512 131258717 /nfs/dbraw/zinc/25/87/17/131258717.db2.gz HWALFZYFLVCMFS-JGVFFNPUSA-N 1 0 269.326 1.479 20 5 CDBDRO CC[C@H](NC(=O)C[C@@H](C[NH3+])OC)c1cccc([N+](=O)[O-])c1 ZINC000262769444 131260482 /nfs/dbraw/zinc/26/04/82/131260482.db2.gz IFSNFVNTWAIESH-STQMWFEESA-N 1 0 295.339 1.526 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000262803135 131262938 /nfs/dbraw/zinc/26/29/38/131262938.db2.gz OCWBDSHVQTYORQ-GHMZBOCLSA-N 1 0 293.323 1.088 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000262803146 131263255 /nfs/dbraw/zinc/26/32/55/131263255.db2.gz OCWBDSHVQTYORQ-WDEREUQCSA-N 1 0 293.323 1.088 20 5 CDBDRO Nc1nc(NCC[NH+]2CCCCCC2)ncc1[N+](=O)[O-] ZINC000263942957 131365907 /nfs/dbraw/zinc/36/59/07/131365907.db2.gz GBLVNTPNRLJJOD-UHFFFAOYSA-N 1 0 280.332 1.255 20 5 CDBDRO C[NH+](C)CC[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])C(C)(C)C ZINC000548747984 392509169 /nfs/dbraw/zinc/50/91/69/392509169.db2.gz PZYIOLXGNQFNCW-JTQLQIEISA-N 1 0 297.359 1.414 20 5 CDBDRO Cc1cnc(NCCCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000266181208 131696714 /nfs/dbraw/zinc/69/67/14/131696714.db2.gz CGZQFPOBGAUZOL-UHFFFAOYSA-N 1 0 293.371 1.348 20 5 CDBDRO Cc1nc(NC[C@@]2(C)CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000420234747 392910338 /nfs/dbraw/zinc/91/03/38/392910338.db2.gz XSXXLIJMDJMSRA-LBPRGKRZSA-N 1 0 265.317 1.495 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417759058 392874344 /nfs/dbraw/zinc/87/43/44/392874344.db2.gz DFXNLKLTJLJAFJ-NSHDSACASA-N 1 0 294.355 1.292 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ncccc1[N+](=O)[O-] ZINC000420645047 392920761 /nfs/dbraw/zinc/92/07/61/392920761.db2.gz ZSXAQKBFPIQTEF-JTQLQIEISA-N 1 0 250.302 1.520 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCCO[C@@H](C[NH3+])C1 ZINC000313344054 392944290 /nfs/dbraw/zinc/94/42/90/392944290.db2.gz DSKYVRJEMCFFFW-RYUDHWBXSA-N 1 0 279.340 1.705 20 5 CDBDRO NCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423180159 392958177 /nfs/dbraw/zinc/95/81/77/392958177.db2.gz IHDPAWAZJXVGPO-DGCLKSJQSA-N 1 0 263.341 1.854 20 5 CDBDRO O=C([C@@H]1CC[NH2+]C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423718580 392966889 /nfs/dbraw/zinc/96/68/89/392966889.db2.gz CWORJJMFZWPLMP-GFCCVEGCSA-N 1 0 289.335 1.695 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)CCC[NH3+] ZINC000423677397 392967082 /nfs/dbraw/zinc/96/70/82/392967082.db2.gz HLTJQBQFPFMENZ-JTQLQIEISA-N 1 0 295.339 1.851 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000430207394 393092651 /nfs/dbraw/zinc/09/26/51/393092651.db2.gz ZJUROSLMYFDPFI-NSHDSACASA-N 1 0 280.324 1.808 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000430221498 393092795 /nfs/dbraw/zinc/09/27/95/393092795.db2.gz RHBIOKJIPQNTBX-GHMZBOCLSA-N 1 0 280.324 1.806 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC[C@@H](C)O ZINC000430223103 393094914 /nfs/dbraw/zinc/09/49/14/393094914.db2.gz XFPUEJLREPETQH-SNVBAGLBSA-N 1 0 268.313 1.806 20 5 CDBDRO C[C@](C[NH3+])(NCc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000430564080 393100638 /nfs/dbraw/zinc/10/06/38/393100638.db2.gz YHSGFOOJSYIGAM-CYBMUJFWSA-N 1 0 267.304 1.951 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1COCCO1 ZINC000449092451 393128935 /nfs/dbraw/zinc/12/89/35/393128935.db2.gz SPCXEJPJEIQZGR-YPMHNXCESA-N 1 0 280.324 1.531 20 5 CDBDRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449215472 393132085 /nfs/dbraw/zinc/13/20/85/393132085.db2.gz ZSMUICCGLVSFIY-NSHDSACASA-N 1 0 293.367 1.888 20 5 CDBDRO Cc1cccc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)c1[N+](=O)[O-] ZINC000449658747 393137658 /nfs/dbraw/zinc/13/76/58/393137658.db2.gz UHJIXYCZECZMKZ-SNVBAGLBSA-N 1 0 299.277 1.630 20 5 CDBDRO CCOc1ccc(C(=O)N(C)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000179080864 140013124 /nfs/dbraw/zinc/01/31/24/140013124.db2.gz SVZSCAXLPOUQDJ-LLVKDONJSA-N 1 0 293.323 1.427 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000231856205 140219545 /nfs/dbraw/zinc/21/95/45/140219545.db2.gz DQTUMNQXQTWIDW-LBPRGKRZSA-N 1 0 265.313 1.503 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCC[NH2+]CC1 ZINC000232237244 140221745 /nfs/dbraw/zinc/22/17/45/140221745.db2.gz MXAOZMYDXZOANH-LBPRGKRZSA-N 1 0 277.324 1.396 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)nc1 ZINC000252667019 140320795 /nfs/dbraw/zinc/32/07/95/140320795.db2.gz FNFYPADALJCYQX-RYUDHWBXSA-N 1 0 278.312 1.265 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000261697555 140377040 /nfs/dbraw/zinc/37/70/40/140377040.db2.gz CMDMVMMGUMMSHT-ZJUUUORDSA-N 1 0 265.313 1.818 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000423227170 397602895 /nfs/dbraw/zinc/60/28/95/397602895.db2.gz URUCMIYJZVCLRW-YPMHNXCESA-N 1 0 291.351 1.642 20 5 CDBDRO COc1cc(CN2CC[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000352425668 155181078 /nfs/dbraw/zinc/18/10/78/155181078.db2.gz MNCVGIVMVWGVHQ-LLVKDONJSA-N 1 0 279.340 1.739 20 5 CDBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+](C)C ZINC000184642094 148360308 /nfs/dbraw/zinc/36/03/08/148360308.db2.gz KVACJHALCOURHH-CYBMUJFWSA-N 1 0 293.367 1.841 20 5 CDBDRO C[C@H](C[C@H](C)O)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000310918321 149204460 /nfs/dbraw/zinc/20/44/60/149204460.db2.gz GRDMKISSMRBSPB-BDAKNGLRSA-N 1 0 256.277 1.983 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000343249027 152084776 /nfs/dbraw/zinc/08/47/76/152084776.db2.gz BWWYAJCXDCBNJH-VHSXEESVSA-N 1 0 278.312 1.280 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[NH+](C)C ZINC000346130236 153062896 /nfs/dbraw/zinc/06/28/96/153062896.db2.gz GTAADSYQLFQSCF-SNVBAGLBSA-N 1 0 265.313 1.583 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cnc(C)[nH]c1=O ZINC000350357740 154368431 /nfs/dbraw/zinc/36/84/31/154368431.db2.gz PTZIYZPPJBIZEQ-UHFFFAOYSA-N 1 0 288.307 1.997 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@@H]2CC[C@H](CO)O2)cc1[N+](=O)[O-] ZINC000353709911 156031925 /nfs/dbraw/zinc/03/19/25/156031925.db2.gz SQWBABMWSRBSQI-QWHCGFSZSA-N 1 0 280.324 1.533 20 5 CDBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000358305429 157913065 /nfs/dbraw/zinc/91/30/65/157913065.db2.gz SRWUKAUKSMPNIP-ZDUSSCGKSA-N 1 0 282.344 1.586 20 5 CDBDRO C[NH+](C)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000359484666 158261831 /nfs/dbraw/zinc/26/18/31/158261831.db2.gz CGICBBZYVYHBDL-CYBMUJFWSA-N 1 0 292.339 1.446 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](CO)c2cccc(F)c2)c1 ZINC000359540408 158281315 /nfs/dbraw/zinc/28/13/15/158281315.db2.gz PXPLMNOZSXUJHQ-CYBMUJFWSA-N 1 0 294.286 1.254 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368384093 159638771 /nfs/dbraw/zinc/63/87/71/159638771.db2.gz HSCUPDRURWQQJQ-CYBMUJFWSA-N 1 0 289.335 1.396 20 5 CDBDRO Cc1sc(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000370165446 159875407 /nfs/dbraw/zinc/87/54/07/159875407.db2.gz VLJZEXRZWLXUCH-VHSXEESVSA-N 1 0 295.364 1.789 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000374912245 160326348 /nfs/dbraw/zinc/32/63/48/160326348.db2.gz NVTHVDTZMUJCMV-RISCZKNCSA-N 1 0 289.335 1.761 20 5 CDBDRO O=[N+]([O-])c1c(NCC[NH+]2CCCC2)nc2sccn21 ZINC000008374813 170333872 /nfs/dbraw/zinc/33/38/72/170333872.db2.gz RUCIUAYFMSCSQN-UHFFFAOYSA-N 1 0 281.341 1.812 20 5 CDBDRO CCOCC[C@@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285265555 196236119 /nfs/dbraw/zinc/23/61/19/196236119.db2.gz IFVDFYXHYLSSSY-CQSZACIVSA-N 1 0 296.367 1.857 20 5 CDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000040676234 174373955 /nfs/dbraw/zinc/37/39/55/174373955.db2.gz JYOFKXDERHIUDN-GFCCVEGCSA-N 1 0 277.324 1.253 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000044541461 175201374 /nfs/dbraw/zinc/20/13/74/175201374.db2.gz ISZAOILZXVOTRY-ZDUSSCGKSA-N 1 0 277.324 1.477 20 5 CDBDRO CN(c1ccc([N+](=O)[O-])c2cnccc21)[C@H]1CC[NH2+]C1 ZINC000071311860 176118855 /nfs/dbraw/zinc/11/88/55/176118855.db2.gz OZAFFMTURXEVNH-JTQLQIEISA-N 1 0 272.308 1.941 20 5 CDBDRO COC(=O)c1cc(NC(=O)[C@@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000074954477 176640931 /nfs/dbraw/zinc/64/09/31/176640931.db2.gz HYFNLWSEIZOFFL-NSHDSACASA-N 1 0 293.279 1.072 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH2+]C[C@@H]1C ZINC000077005323 177142388 /nfs/dbraw/zinc/14/23/88/177142388.db2.gz GPDLIZDALDWIBY-NSHDSACASA-N 1 0 292.339 1.135 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC1([NH3+])CCC1 ZINC000230052749 292587884 /nfs/dbraw/zinc/58/78/84/292587884.db2.gz LKMMXHZXZFJIBW-UHFFFAOYSA-N 1 0 299.352 1.063 20 5 CDBDRO Cc1ncc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000521380936 260091419 /nfs/dbraw/zinc/09/14/19/260091419.db2.gz NDBAHWUWDIMRQU-UHFFFAOYSA-N 1 0 290.279 1.435 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000313269975 270324652 /nfs/dbraw/zinc/32/46/52/270324652.db2.gz AOHZWMGGUYXBNO-WFXONIBUSA-N 1 0 289.335 1.946 20 5 CDBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H]1C[NH3+] ZINC000397376069 270350079 /nfs/dbraw/zinc/35/00/79/270350079.db2.gz IPOHUBBTTBJJFD-UTLUCORTSA-N 1 0 280.328 1.368 20 5 CDBDRO C[C@@H](CN)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423368532 274216513 /nfs/dbraw/zinc/21/65/13/274216513.db2.gz NHIWLSXCJXKUGN-HBNTYKKESA-N 1 0 267.333 1.212 20 5 CDBDRO C[C@@H]([NH3+])CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000442663665 274236650 /nfs/dbraw/zinc/23/66/50/274236650.db2.gz KGJZWSJTDOXMIT-LLVKDONJSA-N 1 0 264.329 1.064 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000261745710 274308975 /nfs/dbraw/zinc/30/89/75/274308975.db2.gz MLAWVAVEFOFYGQ-PTRXPTGYSA-N 1 0 280.328 1.050 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000342460250 274343002 /nfs/dbraw/zinc/34/30/02/274343002.db2.gz DXUXMVRYSZGNMI-KOLCDFICSA-N 1 0 292.339 1.146 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171451140 275012764 /nfs/dbraw/zinc/01/27/64/275012764.db2.gz FTVNZRCBKYQDBQ-JTQLQIEISA-N 1 0 279.296 1.498 20 5 CDBDRO CCOc1cccc(N2CC[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000122877201 276381439 /nfs/dbraw/zinc/38/14/39/276381439.db2.gz GBKLAXZVSWGCPI-JTQLQIEISA-N 1 0 265.313 1.792 20 5 CDBDRO CN(c1ccc([N+](=O)[O-])c2cnccc21)C1C[NH2+]C1 ZINC000090290653 277002983 /nfs/dbraw/zinc/00/29/83/277002983.db2.gz UQMGFQAFZORPRI-UHFFFAOYSA-N 1 0 258.281 1.551 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000366970659 277280643 /nfs/dbraw/zinc/28/06/43/277280643.db2.gz UFDOWBLKVNZKBG-RYUDHWBXSA-N 1 0 295.314 1.675 20 5 CDBDRO CO[C@@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000277068144 277284611 /nfs/dbraw/zinc/28/46/11/277284611.db2.gz WUVRZAHQUGBPGM-CHWSQXEVSA-N 1 0 295.339 1.304 20 5 CDBDRO C[NH2+][C@@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420158705 277296372 /nfs/dbraw/zinc/29/63/72/277296372.db2.gz HUGVATNVYXKRJK-SNVBAGLBSA-N 1 0 289.295 1.443 20 5 CDBDRO COc1cccc(N2CCC([NH2+]CCO)CC2)c1[N+](=O)[O-] ZINC000290909686 278015711 /nfs/dbraw/zinc/01/57/11/278015711.db2.gz GOHRANHYAGNUJO-UHFFFAOYSA-N 1 0 295.339 1.154 20 5 CDBDRO C[C@@H]1SCC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000174868115 278072632 /nfs/dbraw/zinc/07/26/32/278072632.db2.gz ZBIWJGSJGKGXFB-UWVGGRQHSA-N 1 0 270.358 1.617 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000063192671 278316931 /nfs/dbraw/zinc/31/69/31/278316931.db2.gz RCNQYWNRIXBHTD-ZWNOBZJWSA-N 1 0 277.324 1.937 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000436058437 279105441 /nfs/dbraw/zinc/10/54/41/279105441.db2.gz KXPQOYGMSMFRDT-VHSXEESVSA-N 1 0 267.304 1.916 20 5 CDBDRO C[C@H](CCO)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331005672 279269980 /nfs/dbraw/zinc/26/99/80/279269980.db2.gz LKZJXCIQLIBGDB-UTUOFQBUSA-N 1 0 282.344 1.636 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111303879 279322560 /nfs/dbraw/zinc/32/25/60/279322560.db2.gz WWSSGNNWPKWISZ-ZETCQYMHSA-N 1 0 271.704 1.715 20 5 CDBDRO CC[N@H+](C)CCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000112926392 279333570 /nfs/dbraw/zinc/33/35/70/279333570.db2.gz RGALBTYJUQJDDR-FNORWQNLSA-N 1 0 295.314 1.815 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000238036943 279651558 /nfs/dbraw/zinc/65/15/58/279651558.db2.gz PPHJLULJVTYCQT-SECBINFHSA-N 1 0 297.286 1.062 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000261574469 280099752 /nfs/dbraw/zinc/09/97/52/280099752.db2.gz BEKMWENSVXZEAX-CPCISQLKSA-N 1 0 267.260 1.296 20 5 CDBDRO Cc1c(C(=O)N2CCC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000020495228 280205023 /nfs/dbraw/zinc/20/50/23/280205023.db2.gz ICUZFEBDRAZLJD-UHFFFAOYSA-N 1 0 277.324 1.681 20 5 CDBDRO Cc1c(C(=O)N[C@H]2CC23CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000368644330 280218476 /nfs/dbraw/zinc/21/84/76/280218476.db2.gz CSVFREITTYIDLW-ZDUSSCGKSA-N 1 0 289.335 1.775 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccco1 ZINC000556611327 290274883 /nfs/dbraw/zinc/27/48/83/290274883.db2.gz ZTRPMYBMVRNIFN-LLVKDONJSA-N 1 0 292.291 1.717 20 5 CDBDRO CC1(C)CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000557140672 290330699 /nfs/dbraw/zinc/33/06/99/290330699.db2.gz MEMVHJYWBGHACY-UHFFFAOYSA-N 1 0 292.339 1.488 20 5 CDBDRO C[C@@H](C(=O)N[C@@H](C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000561768804 293102784 /nfs/dbraw/zinc/10/27/84/293102784.db2.gz VSXVSFGJIGDFMU-WDEREUQCSA-N 1 0 279.340 1.765 20 5 CDBDRO CC1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])COC1 ZINC000563000980 293240495 /nfs/dbraw/zinc/24/04/95/293240495.db2.gz YPMXDBQTRRTPGY-UHFFFAOYSA-N 1 0 293.323 1.550 20 5 CDBDRO COCC[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569109599 294159061 /nfs/dbraw/zinc/15/90/61/294159061.db2.gz AKBVRJODQHQODY-NEPJUHHUSA-N 1 0 298.339 1.349 20 5 CDBDRO C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])N(C)C ZINC000570955334 294341292 /nfs/dbraw/zinc/34/12/92/294341292.db2.gz HOBDTXPLFBRTHT-NSHDSACASA-N 1 0 294.355 1.463 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000573007281 294736148 /nfs/dbraw/zinc/73/61/48/294736148.db2.gz JERBILDFAFHMAF-LBPRGKRZSA-N 1 0 293.371 1.794 20 5 CDBDRO C[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000563562362 316331705 /nfs/dbraw/zinc/33/17/05/316331705.db2.gz VVBHCAQSMCLFQX-ZWNOBZJWSA-N 1 0 292.339 1.474 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC([NH3+])CC1 ZINC000566737065 316668078 /nfs/dbraw/zinc/66/80/78/316668078.db2.gz DGNGKZWYGOPAFY-UHFFFAOYSA-N 1 0 293.323 1.557 20 5 CDBDRO Cc1nn(C)c(N2CCC([C@@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000577489457 317339632 /nfs/dbraw/zinc/33/96/32/317339632.db2.gz LRKKRLMASXRDKV-GFCCVEGCSA-N 1 0 293.371 1.463 20 5 CDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H](O)C(F)(F)F ZINC000181309333 323233046 /nfs/dbraw/zinc/23/30/46/323233046.db2.gz CWENZLAJLBPOLZ-NSHDSACASA-N 1 0 292.257 1.992 20 5 CDBDRO CCOC(=O)C[C@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000182646936 323291582 /nfs/dbraw/zinc/29/15/82/323291582.db2.gz NKOXCTSAIXTTHG-JTQLQIEISA-N 1 0 284.316 1.065 20 5 CDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[NH2+]1 ZINC000578893659 324052378 /nfs/dbraw/zinc/05/23/78/324052378.db2.gz HTGLXOSXRPAJCN-ZDUSSCGKSA-N 1 0 293.323 1.232 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000579712936 324261813 /nfs/dbraw/zinc/26/18/13/324261813.db2.gz PLZVKJGHXHPHBF-AWEZNQCLSA-N 1 0 290.323 1.003 20 5 CDBDRO [NH3+][C@H](CC(F)F)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000312735252 482836721 /nfs/dbraw/zinc/83/67/21/482836721.db2.gz WVOQDJZPYAMCCP-SNVBAGLBSA-N 1 0 287.266 1.236 20 5 CDBDRO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000291825892 533995442 /nfs/dbraw/zinc/99/54/42/533995442.db2.gz SLFHRXSJMJAYCT-JTQLQIEISA-N 1 0 280.328 1.914 20 5 CDBDRO Cc1cnc(CC[NH3+])n1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967497 1161996269 /nfs/dbraw/zinc/99/62/69/1161996269.db2.gz QFFCBAWLHYUNRX-GHMZBOCLSA-N 1 0 252.318 1.311 20 5 CDBDRO CC[NH+](CC)CCCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000050699099 520618564 /nfs/dbraw/zinc/61/85/64/520618564.db2.gz GBDVIXNLTYHFKC-UHFFFAOYSA-N 1 0 294.355 1.639 20 5 CDBDRO CCC[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000049480472 521500198 /nfs/dbraw/zinc/50/01/98/521500198.db2.gz KVQUJUYDVXCGCI-UHFFFAOYSA-N 1 0 251.286 1.536 20 5 CDBDRO C[NH2+]CCNc1c(Br)cncc1[N+](=O)[O-] ZINC000234385705 522011519 /nfs/dbraw/zinc/01/15/19/522011519.db2.gz RMJYXVQALKOKBJ-UHFFFAOYSA-N 1 0 275.106 1.384 20 5 CDBDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000037997189 522153427 /nfs/dbraw/zinc/15/34/27/522153427.db2.gz DVUUBHBRJUFGDL-LLVKDONJSA-N 1 0 279.340 1.989 20 5 CDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000139759915 523851237 /nfs/dbraw/zinc/85/12/37/523851237.db2.gz YCIYLWUGUJVYFO-LBPRGKRZSA-N 1 0 278.312 1.811 20 5 CDBDRO CCC[NH+]1C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@H]2C1 ZINC001157691422 1162287151 /nfs/dbraw/zinc/28/71/51/1162287151.db2.gz PMJLUQIPXBVYLY-GHMZBOCLSA-N 1 0 294.330 1.907 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@@H+](C)C1 ZINC000052812385 525576142 /nfs/dbraw/zinc/57/61/42/525576142.db2.gz HRVJDBZPJOVGDW-SNVBAGLBSA-N 1 0 250.302 1.662 20 5 CDBDRO C[C@H](O)[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000183212816 525835966 /nfs/dbraw/zinc/83/59/66/525835966.db2.gz SXGURKCDJVPVLM-NWDGAFQWSA-N 1 0 280.324 1.676 20 5 CDBDRO O=C(C[NH2+]Cc1cccc([N+](=O)[O-])c1)NCC1CC1 ZINC000052926381 526884541 /nfs/dbraw/zinc/88/45/41/526884541.db2.gz QFQVHTHRCUXBMM-UHFFFAOYSA-N 1 0 263.297 1.211 20 5 CDBDRO CC(C)[C@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000236732146 535049505 /nfs/dbraw/zinc/04/95/05/535049505.db2.gz LSWJUUHZHBFGBP-ZDUSSCGKSA-N 1 0 277.324 1.463 20 5 CDBDRO CC(C)c1[nH]nc(-c2nc(C3([NH3+])CCC3)no2)c1[N+](=O)[O-] ZINC000414640802 535319655 /nfs/dbraw/zinc/31/96/55/535319655.db2.gz HCFDOAKYWMYWIL-UHFFFAOYSA-N 1 0 292.299 1.829 20 5 CDBDRO CC[NH2+]CCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000418325972 535466362 /nfs/dbraw/zinc/46/63/62/535466362.db2.gz MWTBPFNBWSTFEG-UHFFFAOYSA-N 1 0 294.355 1.388 20 5 CDBDRO CC[NH2+]CCNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000417179312 535471553 /nfs/dbraw/zinc/47/15/53/535471553.db2.gz FKVHVSCENPXMAY-UHFFFAOYSA-N 1 0 296.327 1.012 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261617703 535970328 /nfs/dbraw/zinc/97/03/28/535970328.db2.gz UGGPZADLABUWAP-WCBMZHEXSA-N 1 0 267.333 1.293 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000269134935 536373877 /nfs/dbraw/zinc/37/38/77/536373877.db2.gz PXARUAVGSNQTMK-SECBINFHSA-N 1 0 279.296 1.037 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000261763427 536391585 /nfs/dbraw/zinc/39/15/85/536391585.db2.gz OOBPLKBHGLTUNH-SNVBAGLBSA-N 1 0 281.312 1.088 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000261575894 536400780 /nfs/dbraw/zinc/40/07/80/536400780.db2.gz NIGRGNVMWNDHBD-SSDOTTSWSA-N 1 0 271.704 1.586 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCCC[NH3+] ZINC000417177581 536953330 /nfs/dbraw/zinc/95/33/30/536953330.db2.gz KVFBVYLPPXIDJD-UHFFFAOYSA-N 1 0 296.327 1.142 20 5 CDBDRO CC(C)[N@@H+]1CCCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000727823090 574599740 /nfs/dbraw/zinc/59/97/40/574599740.db2.gz AHOIBMRESOLOBQ-UHFFFAOYSA-N 1 0 267.333 1.165 20 5 CDBDRO CC[NH+](CC)CCOC(=O)c1cccc([N+](=O)[O-])c1N ZINC000772187279 575670017 /nfs/dbraw/zinc/67/00/17/575670017.db2.gz UIHQLFKSBVOQDO-UHFFFAOYSA-N 1 0 281.312 1.676 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCO)CCCO)cc1Cl ZINC000761511774 576580305 /nfs/dbraw/zinc/58/03/05/576580305.db2.gz PFEOMXJLPFXKTP-UHFFFAOYSA-N 1 0 288.731 1.425 20 5 CDBDRO Cc1nn(C)c(NCC[N@H+]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000742425170 576602093 /nfs/dbraw/zinc/60/20/93/576602093.db2.gz LDBMMQSJVOADBC-VIFPVBQESA-N 1 0 267.333 1.533 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CCO)C2CC2)cc1 ZINC000763061725 576706072 /nfs/dbraw/zinc/70/60/72/576706072.db2.gz YRAXOPUSUMSPIG-AWEZNQCLSA-N 1 0 264.325 1.888 20 5 CDBDRO CC[N@@H+]1CCN(c2nc(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000754080269 576878540 /nfs/dbraw/zinc/87/85/40/576878540.db2.gz SHDSDVJMTLGTOB-LLVKDONJSA-N 1 0 264.329 1.829 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCCCO2)c1 ZINC000749691702 576958135 /nfs/dbraw/zinc/95/81/35/576958135.db2.gz RCIQTXVISPCBOK-KGLIPLIRSA-N 1 0 280.324 1.787 20 5 CDBDRO C[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000749695228 576958233 /nfs/dbraw/zinc/95/82/33/576958233.db2.gz YSVAGRPIBPNONN-FZMZJTMJSA-N 1 0 279.340 1.264 20 5 CDBDRO CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000750038211 576972858 /nfs/dbraw/zinc/97/28/58/576972858.db2.gz AEFVTHACGLIVIH-WFASDCNBSA-N 1 0 294.351 1.987 20 5 CDBDRO CC(C)[C@@H](CO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134758216 617261015 /nfs/dbraw/zinc/26/10/15/617261015.db2.gz PQTJTVGHCGBDFK-OLZOCXBDSA-N 1 0 268.313 1.235 20 5 CDBDRO O=[N+]([O-])c1ccccc1CCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925514467 617421472 /nfs/dbraw/zinc/42/14/72/617421472.db2.gz ONOULVFHUTXLLZ-RDUHTLEXSA-N 1 0 287.363 1.723 20 5 CDBDRO Cc1c(C[NH2+][C@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000035648626 617422926 /nfs/dbraw/zinc/42/29/26/617422926.db2.gz RDCVFXNVNTWPQH-NSHDSACASA-N 1 0 284.337 1.180 20 5 CDBDRO [NH3+][C@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000149407729 617442386 /nfs/dbraw/zinc/44/23/86/617442386.db2.gz QNQILXDPFDTSFK-QMMMGPOBSA-N 1 0 256.693 1.571 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000891845952 617641821 /nfs/dbraw/zinc/64/18/21/617641821.db2.gz GYHDLVZRTCDRRA-NXEZZACHSA-N 1 0 265.317 1.367 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000931276614 617679684 /nfs/dbraw/zinc/67/96/84/617679684.db2.gz AAHYELJASDYDDT-IMRBUKKESA-N 1 0 261.325 1.587 20 5 CDBDRO CCOC(=O)CC[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582441 617682176 /nfs/dbraw/zinc/68/21/76/617682176.db2.gz UMZJPHJTEPYBDZ-CYBMUJFWSA-N 1 0 296.323 1.513 20 5 CDBDRO CO[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591223 617689453 /nfs/dbraw/zinc/68/94/53/617689453.db2.gz HTZOENVAZMZTLF-OLZOCXBDSA-N 1 0 266.297 1.349 20 5 CDBDRO CC(=O)OC[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000892937751 617929799 /nfs/dbraw/zinc/92/97/99/617929799.db2.gz VIPHOIWMFUBKJD-SNVBAGLBSA-N 1 0 266.297 1.679 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NCC1CC[NH+](C2CC2)CC1 ZINC000893531070 618043413 /nfs/dbraw/zinc/04/34/13/618043413.db2.gz BHGMUAIHSANYAU-UHFFFAOYSA-N 1 0 279.344 1.615 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000893573105 618145258 /nfs/dbraw/zinc/14/52/58/618145258.db2.gz WQQALRGOWAZLEC-NSHDSACASA-N 1 0 281.360 1.861 20 5 CDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000893940746 618203470 /nfs/dbraw/zinc/20/34/70/618203470.db2.gz PPKLKTYMIFCJSU-HZMBPMFUSA-N 1 0 299.334 1.678 20 5 CDBDRO Cc1cnc(N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000893941785 618206224 /nfs/dbraw/zinc/20/62/24/618206224.db2.gz WJLWHXJKOVEHGG-ZYHUDNBSSA-N 1 0 262.313 1.439 20 5 CDBDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000922590409 618277539 /nfs/dbraw/zinc/27/75/39/618277539.db2.gz SEZSIEWLXMORTK-GFCCVEGCSA-N 1 0 299.396 1.857 20 5 CDBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cnn(C)n1 ZINC000924955295 618394101 /nfs/dbraw/zinc/39/41/01/618394101.db2.gz NKKKPGKPIADXLG-SNVBAGLBSA-N 1 0 275.312 1.617 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841103933 618683063 /nfs/dbraw/zinc/68/30/63/618683063.db2.gz SVYNGDWRTHHRAM-ZETCQYMHSA-N 1 0 286.719 1.965 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1COCO1 ZINC000894891089 619125990 /nfs/dbraw/zinc/12/59/90/619125990.db2.gz YGHUYBKEADXUHM-LLVKDONJSA-N 1 0 266.297 1.674 20 5 CDBDRO C[NH+](C)C[C@@]1(O)CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000895008916 619205820 /nfs/dbraw/zinc/20/58/20/619205820.db2.gz IPSMYLLFLZOBIN-ZDUSSCGKSA-N 1 0 283.303 1.237 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000905076312 626618102 /nfs/dbraw/zinc/61/81/02/626618102.db2.gz OLZAMVHBOFLDLZ-UHFFFAOYSA-N 1 0 251.261 1.716 20 5 CDBDRO Cn1cc(CC[NH2+]CC[N+](=O)[O-])c2ccc(F)cc21 ZINC000905220160 626698481 /nfs/dbraw/zinc/69/84/81/626698481.db2.gz PXQLGLYBAXULSW-UHFFFAOYSA-N 1 0 265.288 1.726 20 5 CDBDRO CC(C)Oc1ccc([C@H](O)C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905354913 626765831 /nfs/dbraw/zinc/76/58/31/626765831.db2.gz PJEFTQGBTLEBGM-CYBMUJFWSA-N 1 0 268.313 1.374 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]CCNC(C)=O)c([N+](=O)[O-])c1 ZINC001170291061 1162333580 /nfs/dbraw/zinc/33/35/80/1162333580.db2.gz GRYZNAWMFRAXKU-JTQLQIEISA-N 1 0 295.339 1.260 20 5 CDBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@H](O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170329768 1162338480 /nfs/dbraw/zinc/33/84/80/1162338480.db2.gz UCAOFXHAQCPGSH-DMDPSCGWSA-N 1 0 294.351 1.990 20 5 CDBDRO COc1ccc(C[C@H](C)[NH+]2CC(CO)C2)c([N+](=O)[O-])c1 ZINC001170344418 1162348894 /nfs/dbraw/zinc/34/88/94/1162348894.db2.gz BWUPOXCLVQLSPM-JTQLQIEISA-N 1 0 280.324 1.459 20 5 CDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cn1cc([N+](=O)[O-])cn1 ZINC000808191087 1162818503 /nfs/dbraw/zinc/81/85/03/1162818503.db2.gz KKNRVYRDKINNRE-WCQYABFASA-N 1 0 279.344 1.307 20 5 CDBDRO CCOc1cc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC001170570415 1162954805 /nfs/dbraw/zinc/95/48/05/1162954805.db2.gz BXDKPAABIDDYAJ-HZMBPMFUSA-N 1 0 295.339 1.782 20 5 CDBDRO CCC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168998179 1161996715 /nfs/dbraw/zinc/99/67/15/1161996715.db2.gz JGJNJKIZZCFQAO-AAVRWANBSA-N 1 0 297.399 1.859 20 5 CDBDRO Cc1cccc(C(=O)N[C@@H]2C[N@@H+](C)CC2(C)C)c1[N+](=O)[O-] ZINC001156591732 1162026627 /nfs/dbraw/zinc/02/66/27/1162026627.db2.gz YGDPBZUVINVLAF-GFCCVEGCSA-N 1 0 291.351 1.973 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1CCC1 ZINC000866309368 1164764312 /nfs/dbraw/zinc/76/43/12/1164764312.db2.gz OPWFJXPMSSXONG-NSHDSACASA-N 1 0 281.331 1.960 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@@H](F)C[NH2+]1 ZINC001573807303 1170784126 /nfs/dbraw/zinc/78/41/26/1170784126.db2.gz ZTNCNSTUKSYWIR-LDYMZIIASA-N 1 0 297.286 1.632 20 5 CDBDRO C[C@@H]([NH3+])CN(C)C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001576153461 1171342172 /nfs/dbraw/zinc/34/21/72/1171342172.db2.gz UJLCCINHAPGYNO-WDEREUQCSA-N 1 0 294.355 1.687 20 5 CDBDRO Cc1cc(N[C@H]2C[NH2+]CCC2(F)F)ncc1[N+](=O)[O-] ZINC001579635901 1172230287 /nfs/dbraw/zinc/23/02/87/1172230287.db2.gz NLERMTLDBOIVPN-VIFPVBQESA-N 1 0 272.255 1.707 20 5 CDBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC001580150919 1172363181 /nfs/dbraw/zinc/36/31/81/1172363181.db2.gz FMFVZGBGJKVCCF-UHFFFAOYSA-N 1 0 269.688 1.469 20 5 CDBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1O[C@H]1CC[NH2+]C1 ZINC000236113326 1178248521 /nfs/dbraw/zinc/24/85/21/1178248521.db2.gz YQTGWEUEWVGGDS-LURJTMIESA-N 1 0 277.202 1.749 20 5 CDBDRO CCOc1nc(N2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001165036575 721893996 /nfs/dbraw/zinc/89/39/96/721893996.db2.gz SSKSVPMESWBKPU-NSHDSACASA-N 1 0 294.355 1.919 20 5 CDBDRO C[NH+](C)CC1CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001165041756 721942379 /nfs/dbraw/zinc/94/23/79/721942379.db2.gz CNYRJISTKZMMGM-UHFFFAOYSA-N 1 0 280.328 1.006 20 5 CDBDRO O=C(NCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000134693230 790306150 /nfs/dbraw/zinc/30/61/50/790306150.db2.gz RSWXAIIAEVOEKG-UHFFFAOYSA-N 1 0 297.742 1.864 20 5 CDBDRO CCO[C@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819361773 790329881 /nfs/dbraw/zinc/32/98/81/790329881.db2.gz RUTXDIROYBAOOQ-KWCYVHTRSA-N 1 0 280.324 1.785 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701067943 790338641 /nfs/dbraw/zinc/33/86/41/790338641.db2.gz KZJBFOAJULZVIK-SSDOTTSWSA-N 1 0 271.704 1.715 20 5 CDBDRO C[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000839529670 791197318 /nfs/dbraw/zinc/19/73/18/791197318.db2.gz VBFXISAWFJMJAD-IRCOFANPSA-N 1 0 269.345 1.031 20 5 CDBDRO CC[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000872141946 790591568 /nfs/dbraw/zinc/59/15/68/790591568.db2.gz BCOWGDGAVSQULJ-MGPQQGTHSA-N 1 0 280.324 1.785 20 5 CDBDRO C[C@H]([NH2+][C@@H](CO)CC(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815620349 790833374 /nfs/dbraw/zinc/83/33/74/790833374.db2.gz OLXDNGUZMOIXRJ-IONNQARKSA-N 1 0 289.282 1.844 20 5 CDBDRO C[C@@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000891383912 790862570 /nfs/dbraw/zinc/86/25/70/790862570.db2.gz XFZLZNRJLYSYPR-CDMKHQONSA-N 1 0 290.323 1.412 20 5 CDBDRO C[C@@]1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000819146204 790900325 /nfs/dbraw/zinc/90/03/25/790900325.db2.gz SMIXAXFNFDJQCL-KBPBESRZSA-N 1 0 280.324 1.787 20 5 CDBDRO CC1(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)OCCO1 ZINC000819225725 790927217 /nfs/dbraw/zinc/92/72/17/790927217.db2.gz BGYJQOGURXANKT-ZDUSSCGKSA-N 1 0 296.323 1.371 20 5 CDBDRO C[C@H]([NH3+])CN(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000700732201 790955934 /nfs/dbraw/zinc/95/59/34/790955934.db2.gz AKMAVSVRGMHNKG-VIFPVBQESA-N 1 0 283.353 1.493 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818358367 791025449 /nfs/dbraw/zinc/02/54/49/791025449.db2.gz XTIIGSHHSVHLOV-NYRNMGCKSA-N 1 0 251.286 1.351 20 5 CDBDRO [NH3+]C[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])C1CCCC1 ZINC000236262278 789859802 /nfs/dbraw/zinc/85/98/02/789859802.db2.gz DFNSJWGRGYWBRP-LBPRGKRZSA-N 1 0 295.314 1.981 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701039484 789875262 /nfs/dbraw/zinc/87/52/62/789875262.db2.gz GIMZSFWHTJSHOI-UHFFFAOYSA-N 1 0 285.731 1.978 20 5 CDBDRO [NH3+]C1(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC1 ZINC000700608094 789884059 /nfs/dbraw/zinc/88/40/59/789884059.db2.gz DPIDHNKWCQCPHM-UHFFFAOYSA-N 1 0 283.715 1.859 20 5 CDBDRO C[C@@H]1CCCN(Cc2cccnc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000886839466 789904356 /nfs/dbraw/zinc/90/43/56/789904356.db2.gz FLXRKJLJHKZTNV-YPMHNXCESA-N 1 0 278.356 1.939 20 5 CDBDRO Cc1c(C[NH2+]CC(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000036781775 789911027 /nfs/dbraw/zinc/91/10/27/789911027.db2.gz ZOPIZLOWFKXOOT-UHFFFAOYSA-N 1 0 265.313 1.517 20 5 CDBDRO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cc1[N+](=O)[O-] ZINC000783741388 790024982 /nfs/dbraw/zinc/02/49/82/790024982.db2.gz LXJHHOURLODFBJ-GXTWGEPZSA-N 1 0 262.309 1.717 20 5 CDBDRO CC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])OCCO1 ZINC000848535678 790034250 /nfs/dbraw/zinc/03/42/50/790034250.db2.gz FVDDTLQDKWWTMM-LBPRGKRZSA-N 1 0 278.308 1.935 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H](CCCO)C2)c1 ZINC000832783333 790081188 /nfs/dbraw/zinc/08/11/88/790081188.db2.gz QCJGMHNVAQHELX-DOMZBBRYSA-N 1 0 294.351 1.723 20 5 CDBDRO COc1ccc(NC(=O)[C@@]2(F)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000843485856 790230220 /nfs/dbraw/zinc/23/02/20/790230220.db2.gz OCMRIDNPMKLBQA-GFCCVEGCSA-N 1 0 283.259 1.244 20 5 CDBDRO COC(=O)CC(C)(C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000178326900 791162674 /nfs/dbraw/zinc/16/26/74/791162674.db2.gz MUFLLZOKTAOCHJ-UHFFFAOYSA-N 1 0 296.323 1.905 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886346079 791164641 /nfs/dbraw/zinc/16/46/41/791164641.db2.gz AEQSMHMUTQUEIT-TUAOUCFPSA-N 1 0 278.308 1.286 20 5 CDBDRO CC[C@@H]([NH3+])c1cn(Cc2cc(F)ccc2[N+](=O)[O-])nn1 ZINC000229936373 791166027 /nfs/dbraw/zinc/16/60/27/791166027.db2.gz STAGZMLYTBUCSW-SNVBAGLBSA-N 1 0 279.275 1.784 20 5 CDBDRO CC1(C)C[NH2+]CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000088138637 791183612 /nfs/dbraw/zinc/18/36/12/791183612.db2.gz LZAGQCNITFYVCW-UHFFFAOYSA-N 1 0 281.287 1.558 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000931040548 791204723 /nfs/dbraw/zinc/20/47/23/791204723.db2.gz DWGITKTVYPAKEH-KCPJHIHWSA-N 1 0 293.367 1.653 20 5 CDBDRO CO[C@@H](C[NH3+])Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000232130552 791278382 /nfs/dbraw/zinc/27/83/82/791278382.db2.gz FUUDBUMQYXOTQT-SNVBAGLBSA-N 1 0 278.268 1.161 20 5 CDBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000159787021 791362492 /nfs/dbraw/zinc/36/24/92/791362492.db2.gz JJORARTZVJNIJG-LBPRGKRZSA-N 1 0 263.297 1.404 20 5 CDBDRO CC(C)C[C@H](CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843060303 791393725 /nfs/dbraw/zinc/39/37/25/791393725.db2.gz TUVPGOHBLYGLTM-TZMCWYRMSA-N 1 0 282.340 1.625 20 5 CDBDRO CO[C@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000863587500 791396538 /nfs/dbraw/zinc/39/65/38/791396538.db2.gz XYNGWYOMQSJLHG-RAIGVLPGSA-N 1 0 266.297 1.395 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@@H]1C1OCCO1 ZINC000933896878 791478969 /nfs/dbraw/zinc/47/89/69/791478969.db2.gz XUXFADMXRVSCPD-LLVKDONJSA-N 1 0 279.296 1.327 20 5 CDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)CN1CCC1=O ZINC000857231765 791564492 /nfs/dbraw/zinc/56/44/92/791564492.db2.gz RZPFYDUSDDPEMN-UHFFFAOYSA-N 1 0 277.324 1.995 20 5 CDBDRO CC[NH2+][C@@H](C)c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000863658549 791593015 /nfs/dbraw/zinc/59/30/15/791593015.db2.gz PUBSGIPAYKXITB-ZETCQYMHSA-N 1 0 277.284 1.898 20 5 CDBDRO Cc1noc(C[NH2+][C@@H](CCO)C2CC2)c1[N+](=O)[O-] ZINC000851932423 791687435 /nfs/dbraw/zinc/68/74/35/791687435.db2.gz GQEXENGVAQKPTO-VIFPVBQESA-N 1 0 255.274 1.142 20 5 CDBDRO O=[N+]([O-])c1cccnc1NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000864592711 791799645 /nfs/dbraw/zinc/79/96/45/791799645.db2.gz GQSWRXTWGZPEKA-JGPRNRPPSA-N 1 0 262.313 1.932 20 5 CDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000843448569 791877835 /nfs/dbraw/zinc/87/78/35/791877835.db2.gz ANNFRSLVEOTLSK-IAZYJMLFSA-N 1 0 295.726 1.330 20 5 CDBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C1CCS(=O)CC1 ZINC000158192120 791912271 /nfs/dbraw/zinc/91/22/71/791912271.db2.gz WFHKUEZSEOXUSF-UHFFFAOYSA-N 1 0 282.365 1.638 20 5 CDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000930092511 791931920 /nfs/dbraw/zinc/93/19/20/791931920.db2.gz ALZXNZXJZSFULZ-LBPRGKRZSA-N 1 0 274.324 1.777 20 5 CDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000715083614 792076712 /nfs/dbraw/zinc/07/67/12/792076712.db2.gz YCAUTKPBVHZQGR-OTSSQURYSA-N 1 0 283.715 1.715 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C[C@H]2C[C@H](O)C2)n1 ZINC000872126461 792231467 /nfs/dbraw/zinc/23/14/67/792231467.db2.gz NWQGBJAICBFGRG-LPWJVIDDSA-N 1 0 294.355 1.636 20 5 CDBDRO [NH2+]=C(NCCNc1ccc([N+](=O)[O-])cc1)N1CCC1 ZINC000848982840 792250890 /nfs/dbraw/zinc/25/08/90/792250890.db2.gz YTWPMBYICWQIAS-UHFFFAOYSA-N 1 0 263.301 1.237 20 5 CDBDRO CON(C)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000850482866 792355790 /nfs/dbraw/zinc/35/57/90/792355790.db2.gz VKXMHFFUHVJGLW-SNVBAGLBSA-N 1 0 253.302 1.739 20 5 CDBDRO C[C@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2F)CCN1C ZINC000831618777 792434318 /nfs/dbraw/zinc/43/43/18/792434318.db2.gz RZIMVPMCMAMLIT-UWVGGRQHSA-N 1 0 295.314 1.899 20 5 CDBDRO C[C@H]1COC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925642134 792777900 /nfs/dbraw/zinc/77/79/00/792777900.db2.gz QKSHXHVIHHRFIO-GXFFZTMASA-N 1 0 250.298 1.762 20 5 CDBDRO CC(C)(CCC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)[N+](=O)[O-] ZINC000847257753 792802974 /nfs/dbraw/zinc/80/29/74/792802974.db2.gz ZBICPNLGXSOHMV-QWHCGFSZSA-N 1 0 297.399 1.955 20 5 CDBDRO Cn1cc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000158665973 792808507 /nfs/dbraw/zinc/80/85/07/792808507.db2.gz GPJGRGNUNDZARS-AWEZNQCLSA-N 1 0 290.323 1.194 20 5 CDBDRO Cc1c(C[NH2+]CCCS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000038048016 792811264 /nfs/dbraw/zinc/81/12/64/792811264.db2.gz BWOMHDXMRPZRMQ-UHFFFAOYSA-N 1 0 286.353 1.428 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000882486750 792816718 /nfs/dbraw/zinc/81/67/18/792816718.db2.gz VYRBVPUQVYWKHS-GFCCVEGCSA-N 1 0 277.324 1.727 20 5 CDBDRO C[C@@H]1CC[C@H]1[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877831484 792819822 /nfs/dbraw/zinc/81/98/22/792819822.db2.gz UYPJJRWPAWSQKV-ICGCDAGXSA-N 1 0 280.324 1.377 20 5 CDBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CNC(=O)C1 ZINC000851821416 792864237 /nfs/dbraw/zinc/86/42/37/792864237.db2.gz VPQSNDCKPQADCS-SECBINFHSA-N 1 0 297.742 1.816 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865527795 792900837 /nfs/dbraw/zinc/90/08/37/792900837.db2.gz LLZSCEFLUNDZCV-SNVBAGLBSA-N 1 0 297.330 1.980 20 5 CDBDRO CON(C)C(=O)[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000858579299 792991010 /nfs/dbraw/zinc/99/10/10/792991010.db2.gz DHESAAKPDPDCTO-CABZTGNLSA-N 1 0 293.323 1.580 20 5 CDBDRO CO[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581268 793047613 /nfs/dbraw/zinc/04/76/13/793047613.db2.gz GIAJPMIESNXSQR-UONOGXRCSA-N 1 0 280.324 1.739 20 5 CDBDRO C[C@@H]([NH3+])c1cn(Cc2cc(Cl)ccc2[N+](=O)[O-])nn1 ZINC000124300367 793072169 /nfs/dbraw/zinc/07/21/69/793072169.db2.gz UIXRTUCEIUWKSV-SSDOTTSWSA-N 1 0 281.703 1.908 20 5 CDBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000776582227 793321362 /nfs/dbraw/zinc/32/13/62/793321362.db2.gz MQTBNZMVRAEEBA-OLZOCXBDSA-N 1 0 266.297 1.349 20 5 CDBDRO C[NH+](C)C1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881801791 793340299 /nfs/dbraw/zinc/34/02/99/793340299.db2.gz PICAUMRQWJUXHG-UHFFFAOYSA-N 1 0 268.292 1.659 20 5 CDBDRO CO[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000831535742 793438442 /nfs/dbraw/zinc/43/84/42/793438442.db2.gz ZJECXRDCRVGVDN-NILFDRSVSA-N 1 0 294.351 1.985 20 5 CDBDRO O=C(NC1CC[NH+](CC2CCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002789245 793841067 /nfs/dbraw/zinc/84/10/67/793841067.db2.gz SUQHQQBNFVNMFM-CHWSQXEVSA-N 1 0 281.356 1.032 20 5 CDBDRO CC1(C)C[NH2+]C[C@@H]1Nc1c(Cl)cncc1[N+](=O)[O-] ZINC000721890875 793853072 /nfs/dbraw/zinc/85/30/72/793853072.db2.gz USUGTMLPHSXYFR-VIFPVBQESA-N 1 0 270.720 1.475 20 5 CDBDRO CC(C)C[C@@H](O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843068132 793868220 /nfs/dbraw/zinc/86/82/20/793868220.db2.gz FDLKTHFHLNTQJY-ZIAGYGMSSA-N 1 0 282.340 1.625 20 5 CDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000825863156 794037261 /nfs/dbraw/zinc/03/72/61/794037261.db2.gz MQGKXSMHUDRLFF-GFCCVEGCSA-N 1 0 285.388 1.622 20 5 CDBDRO COCC(COC)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824921143 794041881 /nfs/dbraw/zinc/04/18/81/794041881.db2.gz GQGISSYYIWCWPW-UHFFFAOYSA-N 1 0 288.731 1.999 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000870961884 794109328 /nfs/dbraw/zinc/10/93/28/794109328.db2.gz HZMVSLMTRDSHRE-NSHDSACASA-N 1 0 265.313 1.517 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH+](CCO)CCO)ccc1Cl ZINC000040750616 794241445 /nfs/dbraw/zinc/24/14/45/794241445.db2.gz LTDLXNUIZLCWHO-UHFFFAOYSA-N 1 0 274.704 1.035 20 5 CDBDRO C[N@@H+](Cc1cn[nH]c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592118 794329207 /nfs/dbraw/zinc/32/92/07/794329207.db2.gz SYYWKHVIDFAVKU-ZDUSSCGKSA-N 1 0 276.296 1.483 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000882959741 794508995 /nfs/dbraw/zinc/50/89/95/794508995.db2.gz OPZXDBULAKCNMA-LLVKDONJSA-N 1 0 293.323 1.888 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCc3cccnc32)c1 ZINC000886553151 794667319 /nfs/dbraw/zinc/66/73/19/794667319.db2.gz FAKNSMLRIVULJM-LBPRGKRZSA-N 1 0 273.296 1.463 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000882479762 794757834 /nfs/dbraw/zinc/75/78/34/794757834.db2.gz FGZKFRZUDGZSBN-LBPRGKRZSA-N 1 0 277.324 1.348 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000701044714 794841482 /nfs/dbraw/zinc/84/14/82/794841482.db2.gz UVRXQDCUZTURPF-GMSGAONNSA-N 1 0 283.715 1.667 20 5 CDBDRO C[C@@H](CN(C)C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000168890598 794886902 /nfs/dbraw/zinc/88/69/02/794886902.db2.gz REDRSMCTCIXXFB-GWCFXTLKSA-N 1 0 267.329 1.168 20 5 CDBDRO O=[N+]([O-])c1ccnn1CN1CC[C@@H](c2cccnc2)C1 ZINC000842622462 794951147 /nfs/dbraw/zinc/95/11/47/794951147.db2.gz PAEYGLYFQCRYNI-GFCCVEGCSA-N 1 0 273.296 1.633 20 5 CDBDRO COCCOC[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788669376 795015310 /nfs/dbraw/zinc/01/53/10/795015310.db2.gz ZLCDNMXDJRNAPD-MNOVXSKESA-N 1 0 297.355 1.879 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000054131693 795054734 /nfs/dbraw/zinc/05/47/34/795054734.db2.gz YWESJRWCRIMTAK-UHFFFAOYSA-N 1 0 283.303 1.804 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]3CC[C@H]2C3)c1C ZINC000897875599 795060820 /nfs/dbraw/zinc/06/08/20/795060820.db2.gz HJPKQZOZKOTHNN-LBPRGKRZSA-N 1 0 289.335 1.742 20 5 CDBDRO CC[C@H](N)c1nc(Cc2cc(OC)ccc2[N+](=O)[O-])no1 ZINC000843223923 795065085 /nfs/dbraw/zinc/06/50/85/795065085.db2.gz XNBXEEOPMDZUOX-JTQLQIEISA-N 1 0 292.295 1.987 20 5 CDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC[S@@](C)=O ZINC000829515712 795128795 /nfs/dbraw/zinc/12/87/95/795128795.db2.gz FIVVLCLDGQOUEQ-GOSISDBHSA-N 1 0 270.354 1.448 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000037647003 795139081 /nfs/dbraw/zinc/13/90/81/795139081.db2.gz QJBDQGOXXFLVNA-VIFPVBQESA-N 1 0 281.287 1.415 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000235638918 795335528 /nfs/dbraw/zinc/33/55/28/795335528.db2.gz RLOCATOVDONXCI-VHSXEESVSA-N 1 0 263.297 1.322 20 5 CDBDRO CCC[C@H]1C[NH2+]CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886833379 795372436 /nfs/dbraw/zinc/37/24/36/795372436.db2.gz XKNNXJFUQMIFTE-LBPRGKRZSA-N 1 0 264.329 1.564 20 5 CDBDRO Nc1ccc(-c2noc(C[NH2+]CC3CC3)n2)cc1[N+](=O)[O-] ZINC000843169875 795466937 /nfs/dbraw/zinc/46/69/37/795466937.db2.gz VHDCWOQDMSLYFZ-UHFFFAOYSA-N 1 0 289.295 1.727 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700626512 795857389 /nfs/dbraw/zinc/85/73/89/795857389.db2.gz YXEMWWCEMZQDGY-JTQLQIEISA-N 1 0 285.731 1.961 20 5 CDBDRO CC(=O)c1c(NC[C@@](C)(O)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000882126662 795869167 /nfs/dbraw/zinc/86/91/67/795869167.db2.gz ARTJKAVSQIMFRU-CQSZACIVSA-N 1 0 295.339 1.522 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000702655771 795895498 /nfs/dbraw/zinc/89/54/98/795895498.db2.gz VFDGKMJHJJCKEU-LDYMZIIASA-N 1 0 253.277 1.655 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)n1 ZINC000886830306 795907466 /nfs/dbraw/zinc/90/74/66/795907466.db2.gz OQMGBGOBAWQPBL-VXGBXAGGSA-N 1 0 280.328 1.292 20 5 CDBDRO C[NH+](C)C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000840254226 795917998 /nfs/dbraw/zinc/91/79/98/795917998.db2.gz UMAOGYAXPRBKOY-SNVBAGLBSA-N 1 0 282.319 1.907 20 5 CDBDRO C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000133945284 796015423 /nfs/dbraw/zinc/01/54/23/796015423.db2.gz IEJHBJQYUIBDQQ-YPMHNXCESA-N 1 0 279.340 1.451 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@H](C)CCC[NH3+])c1[N+](=O)[O-] ZINC000843487111 796198357 /nfs/dbraw/zinc/19/83/57/796198357.db2.gz NSNYGLDBFTXFIW-SECBINFHSA-N 1 0 283.303 1.900 20 5 CDBDRO C[C@@H](NCC(C)(C)[NH3+])c1ccc(N)c([N+](=O)[O-])c1 ZINC000817960242 796217880 /nfs/dbraw/zinc/21/78/80/796217880.db2.gz KXOAUIUEAJUKMB-MRVPVSSYSA-N 1 0 252.318 1.565 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)C[C@@H]2CCCO2)c(F)c1 ZINC000886227096 796381844 /nfs/dbraw/zinc/38/18/44/796381844.db2.gz WKUIBXGZIYVCLE-AAEUAGOBSA-N 1 0 298.314 1.754 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001155586036 1167243283 /nfs/dbraw/zinc/24/32/83/1167243283.db2.gz JBMUVTIADGUXIM-VGMNWLOBSA-N 1 0 298.730 1.292 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](F)C[C@H]1CO ZINC001173229962 912325611 /nfs/dbraw/zinc/32/56/11/912325611.db2.gz WNLIKMRBEOZUIN-QKCSRTOESA-N 1 0 282.315 1.931 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCNC1=O ZINC001173210446 912330828 /nfs/dbraw/zinc/33/08/28/912330828.db2.gz KMNNGOHPCIXZFD-JOYOIKCWSA-N 1 0 263.297 1.004 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCCO ZINC001173208713 912333933 /nfs/dbraw/zinc/33/39/33/912333933.db2.gz AXPKZVKMTYQYJI-NSHDSACASA-N 1 0 252.314 1.888 20 5 CDBDRO C[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000148419718 913900566 /nfs/dbraw/zinc/90/05/66/913900566.db2.gz OFWQZJYWWLINDG-YUMQZZPRSA-N 1 0 270.720 1.830 20 5 CDBDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000699772559 914245664 /nfs/dbraw/zinc/24/56/64/914245664.db2.gz DOFRFDCEMHLFPR-KCJUWKMLSA-N 1 0 254.261 1.858 20 5 CDBDRO CN(C)c1ccc(-n2ccc(CC[NH3+])n2)c([N+](=O)[O-])c1 ZINC001167731310 899502122 /nfs/dbraw/zinc/50/21/22/899502122.db2.gz FFJUILBAQZECLX-UHFFFAOYSA-N 1 0 275.312 1.348 20 5 CDBDRO COC(=O)c1ccc(O)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001227014911 905945701 /nfs/dbraw/zinc/94/57/01/905945701.db2.gz HXRFRGTXIKYGCY-SNVBAGLBSA-O 1 0 268.333 1.652 20 5 CDBDRO Cc1ccc(O[C@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])n1 ZINC001227221876 906127937 /nfs/dbraw/zinc/12/79/37/906127937.db2.gz GIMPDYJATKDRPH-LBPRGKRZSA-N 1 0 263.297 1.771 20 5 CDBDRO CN(c1ncnc2sc([N+](=O)[O-])cc21)C(C)(C)C[NH3+] ZINC000714241903 906812662 /nfs/dbraw/zinc/81/26/62/906812662.db2.gz OGPGOQQJJRSBMY-UHFFFAOYSA-N 1 0 281.341 1.773 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168226923 907942808 /nfs/dbraw/zinc/94/28/08/907942808.db2.gz QKXDFKKNRLAYIS-SCZZXKLOSA-N 1 0 270.264 1.110 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@H](Oc2cc[n+]([O-])cc2[N+](=O)[O-])C1 ZINC001229452370 908159333 /nfs/dbraw/zinc/15/93/33/908159333.db2.gz RGPFHMHCGIVNAY-NSHDSACASA-N 1 0 281.312 1.480 20 5 CDBDRO [NH3+]CCCCCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000698087983 911019261 /nfs/dbraw/zinc/01/92/61/911019261.db2.gz QOQQXUNVNXSCSX-UHFFFAOYSA-N 1 0 271.342 1.905 20 5 CDBDRO C[C@@H](O)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896372 912053068 /nfs/dbraw/zinc/05/30/68/912053068.db2.gz OQNVNJOFPBQBBV-ZWNOBZJWSA-N 1 0 264.325 1.813 20 5 CDBDRO CCC1(Nc2ccc3nsnc3c2[N+](=O)[O-])C[NH2+]C1 ZINC001168582294 919285359 /nfs/dbraw/zinc/28/53/59/919285359.db2.gz NBXCJKHRDOAKSN-UHFFFAOYSA-N 1 0 279.325 1.763 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001162395908 922493539 /nfs/dbraw/zinc/49/35/39/922493539.db2.gz WVVPIYRZTMNWKF-DTWKUNHWSA-N 1 0 265.317 1.713 20 5 CDBDRO COC(=O)N(C)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000689526333 936761773 /nfs/dbraw/zinc/76/17/73/936761773.db2.gz NLZOITDZPJZPEB-JTQLQIEISA-N 1 0 281.312 1.944 20 5 CDBDRO Cc1cc(N(C)CC[NH3+])nc2ccc([N+](=O)[O-])cc12 ZINC001163687061 924056892 /nfs/dbraw/zinc/05/68/92/924056892.db2.gz QVUVIYUNGURBTN-UHFFFAOYSA-N 1 0 260.297 1.846 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC001119234462 925029018 /nfs/dbraw/zinc/02/90/18/925029018.db2.gz BTQXYVUBJRGEHP-VIFPVBQESA-N 1 0 279.340 1.797 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCO[C@@H](C[NH3+])C2)n1 ZINC001166938227 925356253 /nfs/dbraw/zinc/35/62/53/925356253.db2.gz UWRITQFQZVHUAE-QMMMGPOBSA-N 1 0 286.719 1.116 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N1CC[NH+](CC(C)C)CC1 ZINC000824614871 925831199 /nfs/dbraw/zinc/83/11/99/925831199.db2.gz AJJUNPMNEKQXGL-UHFFFAOYSA-N 1 0 294.355 1.776 20 5 CDBDRO Cc1cc(N2CC[C@H]([NH3+])C2)nc2ccc([N+](=O)[O-])cc12 ZINC001156229104 927499712 /nfs/dbraw/zinc/49/97/12/927499712.db2.gz UFIRVTFIEQNLLO-JTQLQIEISA-N 1 0 272.308 1.989 20 5 CDBDRO [NH3+]CCc1cnn(-c2cc3cc[nH]c3c([N+](=O)[O-])c2)c1 ZINC001168949650 927556924 /nfs/dbraw/zinc/55/69/24/927556924.db2.gz OUXUGJXIUUEWFZ-UHFFFAOYSA-N 1 0 271.280 1.763 20 5 CDBDRO CCOC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168977494 927562255 /nfs/dbraw/zinc/56/22/55/927562255.db2.gz KKCWEXYKUNJVEF-FIQHERPVSA-N 1 0 270.329 1.363 20 5 CDBDRO [NH3+][C@@H]1CCc2nn([C@H]3CC[C@H](C[N+](=O)[O-])C3)cc2C1 ZINC001168977800 927565661 /nfs/dbraw/zinc/56/56/61/927565661.db2.gz MAWKHRDUNKGEIF-WCQGTBRESA-N 1 0 264.329 1.317 20 5 CDBDRO CCOC(=O)[C@@H](N[C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H](C)CC ZINC001168978344 927565737 /nfs/dbraw/zinc/56/57/37/927565737.db2.gz RFJIARQKNWRUEU-RVMXOQNASA-N 1 0 286.372 1.999 20 5 CDBDRO CCOC(=O)[C@@H](N[C@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H](C)CC ZINC001168978343 927566076 /nfs/dbraw/zinc/56/60/76/927566076.db2.gz RFJIARQKNWRUEU-RNJOBUHISA-N 1 0 286.372 1.999 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2cncs2)C1 ZINC001168984651 927572140 /nfs/dbraw/zinc/57/21/40/927572140.db2.gz PMPDOYYJUVGBPU-UWVGGRQHSA-N 1 0 255.343 1.721 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc3ccnn32)C1 ZINC001168984641 927573532 /nfs/dbraw/zinc/57/35/32/927573532.db2.gz PIVRFAKUAOEMHK-VXGBXAGGSA-N 1 0 274.324 1.869 20 5 CDBDRO N=c1sc2c(n1[C@H]1CC[C@H](C[N+](=O)[O-])C1)CC[C@H]([NH3+])C2 ZINC001168965505 927589269 /nfs/dbraw/zinc/58/92/69/927589269.db2.gz AFPAEFWPEDHABU-GUBZILKMSA-N 1 0 296.396 1.463 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCC3(C2)OCCO3)C1 ZINC001168993302 927600872 /nfs/dbraw/zinc/60/08/72/927600872.db2.gz MIMXTUZCPBRXBD-UPJWGTAASA-N 1 0 284.356 1.707 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CN(c3ccccn3)C2)C1 ZINC001168994569 927601463 /nfs/dbraw/zinc/60/14/63/927601463.db2.gz PXAXKPYTJSLHDV-NWDGAFQWSA-N 1 0 276.340 1.305 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC(F)(F)[C@@H](CO)C2)C1 ZINC001169005776 927608026 /nfs/dbraw/zinc/60/80/26/927608026.db2.gz DALRJLIGSBKSHK-GMTAPVOTSA-N 1 0 278.299 1.381 20 5 CDBDRO C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]1CC[C@H](O)CC1 ZINC001169011268 927617722 /nfs/dbraw/zinc/61/77/22/927617722.db2.gz JBZIKYRYVTYJLY-FDYHWXHSSA-N 1 0 256.346 1.667 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3CCO[C@H]3C2)C1 ZINC001169013972 927620199 /nfs/dbraw/zinc/62/01/99/927620199.db2.gz XAXMGDFGWLFTKI-NDBYEHHHSA-N 1 0 254.330 1.543 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)C1 ZINC001169036063 927645249 /nfs/dbraw/zinc/64/52/49/927645249.db2.gz FFGOVBHBFLDOEO-QTJJRWQNSA-N 1 0 266.341 1.541 20 5 CDBDRO COC(=O)C[N@H+](C1CCCC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039309 927649686 /nfs/dbraw/zinc/64/96/86/927649686.db2.gz PMECEFRTQXNBAN-WCQYABFASA-N 1 0 284.356 1.849 20 5 CDBDRO COC(=O)[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169038315 927651494 /nfs/dbraw/zinc/65/14/94/927651494.db2.gz YAGNFTJTOOZEMA-UMSGYPCISA-N 1 0 284.356 1.563 20 5 CDBDRO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169017526 927657352 /nfs/dbraw/zinc/65/73/52/927657352.db2.gz AIKQHDHJJDXFOD-LOWDOPEQSA-N 1 0 255.362 1.456 20 5 CDBDRO COCC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCN(C)CC1 ZINC001169021919 927663000 /nfs/dbraw/zinc/66/30/00/927663000.db2.gz BCIGBRXJGHZQQY-UKRRQHHQSA-N 1 0 299.415 1.474 20 5 CDBDRO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169024342 927664325 /nfs/dbraw/zinc/66/43/25/927664325.db2.gz GLKDBPMTQWDTSI-LSGALXMHSA-N 1 0 284.356 1.310 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC3(C2)CCOCC3)C1 ZINC001169026564 927665080 /nfs/dbraw/zinc/66/50/80/927665080.db2.gz MTCYMIFCRKFXBJ-OLZOCXBDSA-N 1 0 268.357 1.934 20 5 CDBDRO O=c1[nH]ccc2c1CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169047427 927666889 /nfs/dbraw/zinc/66/68/89/927666889.db2.gz QYNWVVXVAMLBKS-CMPLNLGQSA-N 1 0 277.324 1.591 20 5 CDBDRO CC[N@H+](CCC(=O)OC)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169047038 927666957 /nfs/dbraw/zinc/66/69/57/927666957.db2.gz QEPUSMLXMARTKI-MNOVXSKESA-N 1 0 258.318 1.317 20 5 CDBDRO CC(C)(C)OC(=O)N1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169053560 927672169 /nfs/dbraw/zinc/67/21/69/927672169.db2.gz IRQIDYXKVQWJAT-NWDGAFQWSA-N 1 0 299.371 1.942 20 5 CDBDRO Cc1cc(C)c(-n2nncc2C[NH3+])c(C)c1[N+](=O)[O-] ZINC001169310288 927945721 /nfs/dbraw/zinc/94/57/21/927945721.db2.gz UKOXIOCAOUYVHY-UHFFFAOYSA-N 1 0 261.285 1.559 20 5 CDBDRO [NH3+]Cc1cnnn1-c1ccc2ncccc2c1[N+](=O)[O-] ZINC001169309711 927945893 /nfs/dbraw/zinc/94/58/93/927945893.db2.gz KKKAPERWEWEAEY-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO CCCN1CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000853113712 927953839 /nfs/dbraw/zinc/95/38/39/927953839.db2.gz KGLMSIWXGBWPJE-ZFWWWQNUSA-N 1 0 293.367 1.702 20 5 CDBDRO CCOc1cc([N+](=O)[O-])ccc1NC[C@H]1COCC[NH2+]1 ZINC001170043335 929126566 /nfs/dbraw/zinc/12/65/66/929126566.db2.gz GMEUGFHGXVFLPW-JTQLQIEISA-N 1 0 281.312 1.394 20 5 CDBDRO C[NH+]1CC(CNc2cnc3cc([N+](=O)[O-])ccc3n2)C1 ZINC001159218089 929821475 /nfs/dbraw/zinc/82/14/75/929821475.db2.gz LTVGSYZQORPXJL-UHFFFAOYSA-N 1 0 273.296 1.512 20 5 CDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cn2cc([N+](=O)[O-])cn2)C1 ZINC000129193316 929889923 /nfs/dbraw/zinc/88/99/23/929889923.db2.gz BLAVCNOPPHACSK-YPMHNXCESA-N 1 0 279.344 1.165 20 5 CDBDRO Cc1c(F)cc([N+](=O)[O-])cc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001170786878 930022665 /nfs/dbraw/zinc/02/26/65/930022665.db2.gz BFGJMYSPXVVLAX-QPUJVOFHSA-N 1 0 269.276 1.035 20 5 CDBDRO Cc1c(C)c([N+](=O)[O-])cnc1N[C@H](C)[C@@H]1C[NH2+]CCO1 ZINC001159498455 930307078 /nfs/dbraw/zinc/30/70/78/930307078.db2.gz LULVCUJUIMPXBJ-PWSUYJOCSA-N 1 0 280.328 1.395 20 5 CDBDRO CC[C@@](N)(CO)Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC001170863802 930517923 /nfs/dbraw/zinc/51/79/23/930517923.db2.gz FDSMXLGLHFSJGS-VIFPVBQESA-N 1 0 260.681 1.112 20 5 CDBDRO C[C@@H]1[C@@H]([NH3+])CCCN1c1ncc(F)cc1[N+](=O)[O-] ZINC000401198763 937419504 /nfs/dbraw/zinc/41/95/04/937419504.db2.gz YMSDYIBMUPWRBI-APPZFPTMSA-N 1 0 254.265 1.445 20 5 CDBDRO CC(=O)NC[C@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000885967725 930779329 /nfs/dbraw/zinc/77/93/29/930779329.db2.gz XEMLCSHPEWUWLY-GFCCVEGCSA-N 1 0 292.339 1.338 20 5 CDBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC001154063853 937498622 /nfs/dbraw/zinc/49/86/22/937498622.db2.gz CVQGPGLDUVHKSG-UHFFFAOYSA-N 1 0 283.353 1.662 20 5 CDBDRO O=C([C@H]1C[C@]12CC[NH2+]C2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118198998 937601586 /nfs/dbraw/zinc/60/15/86/937601586.db2.gz CSWUTNYZFUHAEM-HIFRSBDPSA-N 1 0 287.319 1.437 20 5 CDBDRO O=[N+]([O-])c1cnc2cccc(NC[C@H]3CCCC[NH2+]3)n21 ZINC001171341253 932806916 /nfs/dbraw/zinc/80/69/16/932806916.db2.gz VIVREKLPDCASAH-SNVBAGLBSA-N 1 0 275.312 1.797 20 5 CDBDRO C[C@@H]1CCCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001155214101 937649438 /nfs/dbraw/zinc/64/94/38/937649438.db2.gz VTJNSGCTWDGBAK-SECBINFHSA-N 1 0 277.328 1.308 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@H](C)C[NH+](C)C ZINC001119959930 937768185 /nfs/dbraw/zinc/76/81/85/937768185.db2.gz YLQXTTWCNXHMTK-VIFPVBQESA-N 1 0 268.317 1.608 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCC[C@@H](F)C2)c1 ZINC001120515205 937805394 /nfs/dbraw/zinc/80/53/94/937805394.db2.gz GNMFTHNEKXCIQL-JFGNBEQYSA-N 1 0 286.307 1.023 20 5 CDBDRO Nc1cc(NCC[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC001120883899 937844429 /nfs/dbraw/zinc/84/44/29/937844429.db2.gz OAZUIWKRRDNTJV-UHFFFAOYSA-N 1 0 265.317 1.470 20 5 CDBDRO C[C@H](NC(=O)CCC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001122169999 937910349 /nfs/dbraw/zinc/91/03/49/937910349.db2.gz RVDDTQQQIUCBBT-VIFPVBQESA-N 1 0 251.286 1.511 20 5 CDBDRO CC(C)[NH2+]CC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001122266546 937916742 /nfs/dbraw/zinc/91/67/42/937916742.db2.gz CXTCDKZNQMEIME-LLVKDONJSA-N 1 0 279.340 1.813 20 5 CDBDRO CN(c1ncc(F)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001156171990 938327712 /nfs/dbraw/zinc/32/77/12/938327712.db2.gz KHXDORDVVCZACH-UHFFFAOYSA-N 1 0 254.265 1.317 20 5 CDBDRO [NH3+]Cc1cccn1-c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001156731213 938411914 /nfs/dbraw/zinc/41/19/14/938411914.db2.gz RTXDUNAUDFWMMH-UHFFFAOYSA-N 1 0 257.253 1.721 20 5 CDBDRO [NH3+]CCc1ccn(-c2cnc3cc([N+](=O)[O-])ccc3n2)n1 ZINC001156898843 938431338 /nfs/dbraw/zinc/43/13/38/938431338.db2.gz VWDBEOGRVKUIIM-UHFFFAOYSA-N 1 0 284.279 1.225 20 5 CDBDRO CN(c1cc([N+](=O)[O-])ccn1)[C@@]1(C)CCC[NH2+]C1 ZINC001156955222 938438350 /nfs/dbraw/zinc/43/83/50/938438350.db2.gz GHHSMQKEVKPZSB-LBPRGKRZSA-N 1 0 250.302 1.568 20 5 CDBDRO CCC/C=C/CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157766825 938543065 /nfs/dbraw/zinc/54/30/65/938543065.db2.gz AENHODLSLSSKQX-IJWDBEHRSA-N 1 0 283.372 1.494 20 5 CDBDRO C[NH+](C)CC(C)(C)CNc1cc(N)c([N+](=O)[O-])cn1 ZINC001157944350 938567494 /nfs/dbraw/zinc/56/74/94/938567494.db2.gz KEHJEFOUPXGWBQ-UHFFFAOYSA-N 1 0 267.333 1.572 20 5 CDBDRO Cc1cnc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)c([N+](=O)[O-])c1 ZINC001157980185 938570878 /nfs/dbraw/zinc/57/08/78/938570878.db2.gz OAZITTMVGGHGAX-SNVBAGLBSA-N 1 0 273.296 1.300 20 5 CDBDRO CC(C)N(c1ncc(F)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC001158022422 938575715 /nfs/dbraw/zinc/57/57/15/938575715.db2.gz NTTRGKGASDVHSR-JTQLQIEISA-N 1 0 268.292 1.706 20 5 CDBDRO C[C@@H]([NH3+])c1ccn(-c2nc(Cl)ncc2[N+](=O)[O-])n1 ZINC001158346438 938611434 /nfs/dbraw/zinc/61/14/34/938611434.db2.gz ZYVDAACJCLUHPH-RXMQYKEDSA-N 1 0 268.664 1.244 20 5 CDBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@H]2C[NH2+]C[C@@H]2CO)c1 ZINC001159681304 938745334 /nfs/dbraw/zinc/74/53/34/938745334.db2.gz CGOGDIVPHHINGC-MFKMUULPSA-N 1 0 288.307 1.135 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NCC(C)(C)[NH3+])n1 ZINC001160025150 938765056 /nfs/dbraw/zinc/76/50/56/938765056.db2.gz MMYZOXZSUQACBX-UHFFFAOYSA-N 1 0 259.697 1.496 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1NC[C@H]1CCCC[NH2+]1 ZINC001160150435 938771718 /nfs/dbraw/zinc/77/17/18/938771718.db2.gz JEUMIZRUHSHCPF-MRVPVSSYSA-N 1 0 251.290 1.126 20 5 CDBDRO [NH3+]Cc1cn(-c2ccc3c([N+](=O)[O-])c[nH]c3n2)cn1 ZINC001162296999 938973046 /nfs/dbraw/zinc/97/30/46/938973046.db2.gz SLGGPDZAKUZZCC-UHFFFAOYSA-N 1 0 258.241 1.116 20 5 CDBDRO CN1Cc2cc(-n3nccc3C[NH3+])cc([N+](=O)[O-])c2N1 ZINC001162597370 939099311 /nfs/dbraw/zinc/09/93/11/939099311.db2.gz MFDRJJVVULCHCX-UHFFFAOYSA-N 1 0 274.284 1.012 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N[C@@H]1C=C[C@H]2C[NH2+]C[C@H]21 ZINC001162795349 939143127 /nfs/dbraw/zinc/14/31/27/939143127.db2.gz VHIROXHLFGSVJQ-DJLDLDEBSA-N 1 0 296.714 1.068 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001163274424 939237541 /nfs/dbraw/zinc/23/75/41/939237541.db2.gz QGNZCCZEHDWZSC-LBPRGKRZSA-N 1 0 299.334 1.698 20 5 CDBDRO O=[N+]([O-])c1cccnc1NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163278021 939238383 /nfs/dbraw/zinc/23/83/83/939238383.db2.gz GEATXXARZKGCBX-FZMZJTMJSA-N 1 0 292.339 1.560 20 5 CDBDRO Cc1cc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC001163313518 939245034 /nfs/dbraw/zinc/24/50/34/939245034.db2.gz BQLDYRVTWNQLJD-RISCZKNCSA-N 1 0 292.339 1.621 20 5 CDBDRO O=[N+]([O-])c1cccnc1N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001163650724 939298742 /nfs/dbraw/zinc/29/87/42/939298742.db2.gz RIUIMNICSPCUQM-GXTWGEPZSA-N 1 0 292.339 1.703 20 5 CDBDRO CN(CC[NH3+])C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001163686672 939307999 /nfs/dbraw/zinc/30/79/99/939307999.db2.gz DUUNHOORPLSZJN-UHFFFAOYSA-N 1 0 280.662 1.583 20 5 CDBDRO Cc1ccnc(N2C[C@H](C)CC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC001164070958 939405306 /nfs/dbraw/zinc/40/53/06/939405306.db2.gz QVYCQKGVXXIWHP-MWLCHTKSSA-N 1 0 264.329 1.862 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC(C)([NH+](C)C)C2)n1 ZINC001165117689 939511363 /nfs/dbraw/zinc/51/13/63/939511363.db2.gz JLQPHROYROQRLO-UHFFFAOYSA-N 1 0 264.329 1.747 20 5 CDBDRO Cc1c(C)c(N2CCC[C@H]3[NH2+]C[C@H]32)ncc1[N+](=O)[O-] ZINC001165395510 939558609 /nfs/dbraw/zinc/55/86/09/939558609.db2.gz WNFNWRXYMWCUMA-ZYHUDNBSSA-N 1 0 262.313 1.547 20 5 CDBDRO COCc1nn(-c2ncc(C)cc2[N+](=O)[O-])c2c1C[NH2+]C2 ZINC001165632565 939573197 /nfs/dbraw/zinc/57/31/97/939573197.db2.gz SLCMNQJWERQARW-UHFFFAOYSA-N 1 0 289.295 1.234 20 5 CDBDRO [NH3+]CCc1nccn1-c1ccc2cnccc2c1[N+](=O)[O-] ZINC001166369706 939606228 /nfs/dbraw/zinc/60/62/28/939606228.db2.gz IZELPBWDHVIZQF-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC001166900873 939647309 /nfs/dbraw/zinc/64/73/09/939647309.db2.gz VUCQCVQTPHZXMK-CYBMUJFWSA-N 1 0 292.339 1.197 20 5 CDBDRO [NH3+][C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C12CCC2 ZINC000404622429 940966540 /nfs/dbraw/zinc/96/65/40/940966540.db2.gz ATCXLNFXCDVGPG-IUCAKERBSA-N 1 0 281.337 1.656 20 5 CDBDRO COC(=O)c1cc(O[C@H]2CC[NH2+]C2)c(OC)cc1[N+](=O)[O-] ZINC001218176782 941042368 /nfs/dbraw/zinc/04/23/68/941042368.db2.gz JLTHVCKYMCYWRL-QMMMGPOBSA-N 1 0 296.279 1.131 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC001222791825 941634723 /nfs/dbraw/zinc/63/47/23/941634723.db2.gz WVFZLCSZJSBTLZ-CYBMUJFWSA-N 1 0 297.331 1.095 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCc1ccccc1S(C)(=O)=O ZINC001223716059 941693504 /nfs/dbraw/zinc/69/35/04/941693504.db2.gz VRNGZAUQWWNEPC-GFCCVEGCSA-N 1 0 286.417 1.701 20 5 CDBDRO C[C@H](OC(=O)C[C@@H](O)C[N+](C)(C)C)c1ccccn1 ZINC001223999312 941713357 /nfs/dbraw/zinc/71/33/57/941713357.db2.gz RWLNJTOBTIATKZ-NWDGAFQWSA-N 1 0 267.349 1.143 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(CC(N)=O)cc1 ZINC001225319934 941843298 /nfs/dbraw/zinc/84/32/98/941843298.db2.gz NVWUYKWTHYDBIP-NSHDSACASA-O 1 0 251.350 1.188 20 5 CDBDRO C[C@H](CN1CCOCC1)Oc1ccc([N+](=O)[O-])nc1 ZINC001226708727 942053008 /nfs/dbraw/zinc/05/30/08/942053008.db2.gz CDQGZEQODLYKRF-SNVBAGLBSA-N 1 0 267.285 1.089 20 5 CDBDRO C[C@@H](CN1CCOCC1)Oc1ccc([N+](=O)[O-])nc1 ZINC001226708722 942053872 /nfs/dbraw/zinc/05/38/72/942053872.db2.gz CDQGZEQODLYKRF-JTQLQIEISA-N 1 0 267.285 1.089 20 5 CDBDRO CCC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001226953431 942101458 /nfs/dbraw/zinc/10/14/58/942101458.db2.gz BNTOPCRWJZQRFN-CYBMUJFWSA-N 1 0 294.371 1.642 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001227745735 942218402 /nfs/dbraw/zinc/21/84/02/942218402.db2.gz NQCFZMUOQOOOJU-JTQLQIEISA-N 1 0 276.296 1.944 20 5 CDBDRO C[C@@H](C[NH+](C)C)Oc1nccc(Cl)c1[N+](=O)[O-] ZINC001228013930 942257200 /nfs/dbraw/zinc/25/72/00/942257200.db2.gz ALFQLASSFOXVCB-ZETCQYMHSA-N 1 0 259.693 1.972 20 5 CDBDRO Cc1cc(C)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(C)c1 ZINC001228405881 942311539 /nfs/dbraw/zinc/31/15/39/942311539.db2.gz LCHUMPZPVXMBRO-CQSZACIVSA-N 1 0 280.388 1.974 20 5 CDBDRO CN1CCO[C@@H](COc2cc([N+](=O)[O-])ccc2O)C1 ZINC001229396748 942464387 /nfs/dbraw/zinc/46/43/87/942464387.db2.gz YPVUZZGQAWDXFW-SNVBAGLBSA-N 1 0 268.269 1.010 20 5 CDBDRO O=[N+]([O-])c1cc2c[nH]nc2cc1O[C@H]1C[NH+]2CCC1CC2 ZINC001230595074 942650999 /nfs/dbraw/zinc/65/09/99/942650999.db2.gz IVTNZVAVMASLLF-AWEZNQCLSA-N 1 0 288.307 1.944 20 5 CDBDRO C[N@@H+]1CCC[C@H](Oc2cccc([N+](=O)[O-])c2[N+](=O)[O-])C1 ZINC001233573767 943619934 /nfs/dbraw/zinc/61/99/34/943619934.db2.gz CALJBQIBMDWNDQ-VIFPVBQESA-N 1 0 281.268 1.976 20 5 CDBDRO COC(=O)c1ccc(O[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC001234050369 943727772 /nfs/dbraw/zinc/72/77/72/943727772.db2.gz JPGWNPDMFOXQBP-SECBINFHSA-N 1 0 282.296 1.710 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(/C=C/C(N)=O)ccc1O ZINC001234159714 943759366 /nfs/dbraw/zinc/75/93/66/943759366.db2.gz OSUSIVIBTPLAQI-NSHDSACASA-O 1 0 279.360 1.364 20 5 CDBDRO [NH3+][C@H](CC1CC1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001262035783 946392208 /nfs/dbraw/zinc/39/22/08/946392208.db2.gz VMOQJSWZCBPYDB-CYBMUJFWSA-N 1 0 275.308 1.564 20 5 CDBDRO C[NH+](C)C1CN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001262337457 946588891 /nfs/dbraw/zinc/58/88/91/946588891.db2.gz OUUZBRNNBDOZLJ-KGLIPLIRSA-N 1 0 289.335 1.471 20 5 CDBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC001262565937 946715574 /nfs/dbraw/zinc/71/55/74/946715574.db2.gz AUMABPDOPIHRML-JOYOIKCWSA-N 1 0 268.313 1.377 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC(CO)(CO)C1 ZINC001254538399 947515636 /nfs/dbraw/zinc/51/56/36/947515636.db2.gz UKSFGTNMWQKUNX-LLVKDONJSA-N 1 0 294.351 1.249 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](CO)C1 ZINC001254538484 947515726 /nfs/dbraw/zinc/51/57/26/947515726.db2.gz VZNBYSAILXCALQ-WZRBSPASSA-N 1 0 264.325 1.886 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCNC(=O)C1 ZINC001254535800 947516116 /nfs/dbraw/zinc/51/61/16/947516116.db2.gz LGFLNGJVQASAGG-CMPLNLGQSA-N 1 0 277.324 1.394 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC[C@H]1O ZINC001254538675 947516172 /nfs/dbraw/zinc/51/61/72/947516172.db2.gz YIODGZRMEHTIIH-MPKXVKKWSA-N 1 0 280.324 1.265 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)CCO ZINC001254541772 947518116 /nfs/dbraw/zinc/51/81/16/947518116.db2.gz KBVNOFZLPDTEBF-JTQLQIEISA-N 1 0 266.297 1.067 20 5 CDBDRO CN1CC[C@@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254569388 947529785 /nfs/dbraw/zinc/52/97/85/947529785.db2.gz XITBYZJQZUXGBL-CHWSQXEVSA-N 1 0 261.325 1.356 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)C2 ZINC001254569859 947531029 /nfs/dbraw/zinc/53/10/29/947531029.db2.gz ZNVKIOZXQXWLJS-YVLXSGLVSA-N 1 0 276.336 1.813 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)C2 ZINC001254573780 947532941 /nfs/dbraw/zinc/53/29/41/947532941.db2.gz CFGBXAZYVKSYRL-GZBFAFLISA-N 1 0 276.336 1.955 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[C@@H](O)CC1)C2 ZINC001254574679 947533217 /nfs/dbraw/zinc/53/32/17/947533217.db2.gz JUMBGRAXRJUQCU-KCQAQPDRSA-N 1 0 276.336 1.955 20 5 CDBDRO CN1C[C@@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1=O ZINC001254583760 947540915 /nfs/dbraw/zinc/54/09/15/947540915.db2.gz NYARYAZGRMYDPX-STQMWFEESA-N 1 0 289.335 1.272 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H](CO)c1cccnc1)C2 ZINC001254589766 947541853 /nfs/dbraw/zinc/54/18/53/947541853.db2.gz QRMVDGZIXBWIJO-ZBFHGGJFSA-N 1 0 299.330 1.780 20 5 CDBDRO C[C@]1(O)CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254592462 947542164 /nfs/dbraw/zinc/54/21/64/947542164.db2.gz DNEOECIJNHLVAX-KGLIPLIRSA-N 1 0 262.309 1.519 20 5 CDBDRO C[N@@H+]1CCCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254596687 947545748 /nfs/dbraw/zinc/54/57/48/947545748.db2.gz FFVQOTOAQRMRBV-HNNXBMFYSA-N 1 0 275.352 1.700 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@@H](F)[C@@H](O)C1)C2 ZINC001254597934 947547281 /nfs/dbraw/zinc/54/72/81/947547281.db2.gz JMLMZPFUKTUSML-MCIONIFRSA-N 1 0 280.299 1.467 20 5 CDBDRO C[NH+]1CC2(CN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1 ZINC001254610184 947555231 /nfs/dbraw/zinc/55/52/31/947555231.db2.gz ICFRCACKPFQNAB-CQSZACIVSA-N 1 0 273.336 1.309 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](NC[C@H]1CCC[NH2+]1)C2 ZINC001246185540 948016962 /nfs/dbraw/zinc/01/69/62/948016962.db2.gz BQAQEMOCSUZVBL-CHWSQXEVSA-N 1 0 261.325 1.404 20 5 CDBDRO C[N@@H+]1CC[C@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001248124416 948944913 /nfs/dbraw/zinc/94/49/13/948944913.db2.gz GFTMBEWTIJKMLV-ZETCQYMHSA-N 1 0 293.258 1.598 20 5 CDBDRO CC(C)[C@@H]([NH3+])Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001248219515 948973750 /nfs/dbraw/zinc/97/37/50/948973750.db2.gz OCZHPWWGVHHWFX-QMMMGPOBSA-N 1 0 295.274 1.705 20 5 CDBDRO [NH3+][C@H](CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001325324933 953840868 /nfs/dbraw/zinc/84/08/68/953840868.db2.gz IBCWNAVHBRMIPV-CYBMUJFWSA-N 1 0 290.323 1.357 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[NH2+]C1 ZINC001326048435 954196724 /nfs/dbraw/zinc/19/67/24/954196724.db2.gz HZCYHPTUHPOEPZ-VIFPVBQESA-N 1 0 278.312 1.118 20 5 CDBDRO Cc1nc([N+](=O)[O-])c(-c2noc(C[NH2+]CC(C)C)n2)n1C ZINC001326212949 954269633 /nfs/dbraw/zinc/26/96/33/954269633.db2.gz APFVYGUCEFBKRN-UHFFFAOYSA-N 1 0 294.315 1.432 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC001327642992 954974009 /nfs/dbraw/zinc/97/40/09/954974009.db2.gz NHMWVCLTJBWHCJ-JTQLQIEISA-N 1 0 279.344 1.716 20 5 CDBDRO Cc1ccccc1NC(=[NH2+])NCCn1cc([N+](=O)[O-])cn1 ZINC001330026821 956240031 /nfs/dbraw/zinc/24/00/31/956240031.db2.gz BDAVCJJRRXFNAG-UHFFFAOYSA-N 1 0 288.311 1.736 20 5 CDBDRO C[C@](CO)([NH2+]CCc1cn[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC001308000559 956458140 /nfs/dbraw/zinc/45/81/40/956458140.db2.gz VFBNLNYZEOHPKY-CQSZACIVSA-N 1 0 290.323 1.358 20 5 CDBDRO O=[N+]([O-])c1cccc(-c2noc([C@@H]3[NH2+]C[C@@H]4C[C@@H]43)n2)c1 ZINC001331762387 957246855 /nfs/dbraw/zinc/24/68/55/957246855.db2.gz MQNZADUXEMWMON-INTQDDNPSA-N 1 0 272.264 1.925 20 5 CDBDRO O=[N+]([O-])CC[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC001333730322 958550229 /nfs/dbraw/zinc/55/02/29/958550229.db2.gz QCTLIGZBZIVLKS-UHFFFAOYSA-N 1 0 250.298 1.848 20 5 CDBDRO O=C(c1ccccc1)N1CCC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC001334765445 959338750 /nfs/dbraw/zinc/33/87/50/959338750.db2.gz WWFXPHNTMLGXII-ZDUSSCGKSA-N 1 0 277.324 1.158 20 5 CDBDRO CC[C@](C)(O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335401090 959776004 /nfs/dbraw/zinc/77/60/04/959776004.db2.gz XRJBMHKKLAMLIX-OLZOCXBDSA-N 1 0 268.313 1.379 20 5 CDBDRO C[C@H](CC(C)(C)O)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001336781749 960581128 /nfs/dbraw/zinc/58/11/28/960581128.db2.gz VRTKAFJGQFVCNN-MFKMUULPSA-N 1 0 282.340 1.767 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NC[C@@H](C)C[NH+](C)C ZINC001324328013 961309419 /nfs/dbraw/zinc/30/94/19/961309419.db2.gz UXBSBAMWTSFQMU-SECBINFHSA-N 1 0 252.318 1.330 20 5 CDBDRO Nc1cc(N2CC[C@H]([NH+]3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC001337851136 961466455 /nfs/dbraw/zinc/46/64/55/961466455.db2.gz LIGPLWOKQZWBMP-NSHDSACASA-N 1 0 291.355 1.637 20 5 CDBDRO C[C@@H]1CCN(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001338492339 961836771 /nfs/dbraw/zinc/83/67/71/961836771.db2.gz SSVMXFMNRFJLJW-DOMZBBRYSA-N 1 0 293.367 1.560 20 5 CDBDRO [NH3+][C@H](CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001340262530 962848963 /nfs/dbraw/zinc/84/89/63/962848963.db2.gz QOZBNGDWEFJGNR-HZSPNIEDSA-N 1 0 289.335 1.552 20 5 CDBDRO [NH3+]C1(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC001341414562 963407693 /nfs/dbraw/zinc/40/76/93/963407693.db2.gz HJADHZSNQSTURW-UHFFFAOYSA-N 1 0 263.297 1.135 20 5 CDBDRO C[C@]1(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC001344092503 964231746 /nfs/dbraw/zinc/23/17/46/964231746.db2.gz LHMIRBZELCAVDP-IPYPFGDCSA-N 1 0 289.335 1.567 20 5 CDBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001348898808 966224880 /nfs/dbraw/zinc/22/48/80/966224880.db2.gz JIYUDFIVFOTQBI-JTQLQIEISA-N 1 0 282.344 1.773 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001353602492 968097956 /nfs/dbraw/zinc/09/79/56/968097956.db2.gz PJXSZUNKPCAZRZ-JIMOISOXSA-N 1 0 277.324 1.552 20 5 CDBDRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c(F)cccc1[N+](=O)[O-])C2 ZINC001358500454 969747733 /nfs/dbraw/zinc/74/77/33/969747733.db2.gz JRPPFWCEMUGQPV-AEJSXWLSSA-N 1 0 293.298 1.686 20 5 CDBDRO CC[NH+](CC)CC[C@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC001517934571 970002162 /nfs/dbraw/zinc/00/21/62/970002162.db2.gz GXPFKWCYIGLRJI-JTQLQIEISA-N 1 0 269.349 1.861 20 5 CDBDRO O=C(CCCF)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001132456594 1163297803 /nfs/dbraw/zinc/29/78/03/1163297803.db2.gz FOXNWLOTBRIQLT-UHFFFAOYSA-N 1 0 283.303 1.550 20 5 CDBDRO C[C@@H](CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[NH+](C)C ZINC001605397434 1163548577 /nfs/dbraw/zinc/54/85/77/1163548577.db2.gz HLVLQVKBRKKLPZ-QMMMGPOBSA-N 1 0 291.315 1.137 20 5 CDBDRO O=[N+]([O-])c1ccc(CO[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000089065573 1173974303 /nfs/dbraw/zinc/97/43/03/1173974303.db2.gz HNVNITXYUHJLHV-NSHDSACASA-N 1 0 281.268 1.772 20 5 CDBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC001575510137 1171187493 /nfs/dbraw/zinc/18/74/93/1171187493.db2.gz GVZQQDSJTQIQFK-GFCCVEGCSA-N 1 0 292.339 1.247 20 5 CDBDRO CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001576440500 1171421531 /nfs/dbraw/zinc/42/15/31/1171421531.db2.gz XKKQQEKQQZTKSO-SECBINFHSA-N 1 0 267.289 1.035 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC001578361260 1171885329 /nfs/dbraw/zinc/88/53/29/1171885329.db2.gz HKBLMZIDLINFBC-ZJUUUORDSA-N 1 0 297.359 1.645 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCCN1c1ncc([N+](=O)[O-])cn1 ZINC000601190628 342488375 /nfs/dbraw/zinc/48/83/75/342488375.db2.gz ATTPPWLLZPJZDS-SNVBAGLBSA-N 1 0 265.317 1.305 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000601185454 342489273 /nfs/dbraw/zinc/48/92/73/342489273.db2.gz UZDBTPVEEODMAR-NWDGAFQWSA-N 1 0 293.371 1.508 20 5 CDBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F ZINC000601151363 342482609 /nfs/dbraw/zinc/48/26/09/342482609.db2.gz XULFXWLCTPNEOY-GMSGAONNSA-N 1 0 278.230 1.996 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)C[C@H]2C1 ZINC000618686184 349508923 /nfs/dbraw/zinc/50/89/23/349508923.db2.gz UPYTYVYXUILDEZ-PHIMTYICSA-N 1 0 299.334 1.536 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000590403658 342543951 /nfs/dbraw/zinc/54/39/51/342543951.db2.gz LWIMDZYEFQNDKD-BDAKNGLRSA-N 1 0 283.353 1.821 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]([NH3+])C[C@@H]1C ZINC000601330388 342554761 /nfs/dbraw/zinc/55/47/61/342554761.db2.gz SNZCONCYBIBXKY-ONGXEEELSA-N 1 0 265.313 1.525 20 5 CDBDRO [NH3+][C@H]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000322820245 342567889 /nfs/dbraw/zinc/56/78/89/342567889.db2.gz CAWCMOCFRBOFNX-HAQNSBGRSA-N 1 0 277.324 1.523 20 5 CDBDRO CC(C)[NH+]1CCC(N(C)c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000590570175 342577019 /nfs/dbraw/zinc/57/70/19/342577019.db2.gz UDYRFFFWTBJVOI-UHFFFAOYSA-N 1 0 293.371 1.881 20 5 CDBDRO CC[C@@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H](C)O ZINC000590659867 342581441 /nfs/dbraw/zinc/58/14/41/342581441.db2.gz LBIIMZDKYQLEBQ-GXSJLCMTSA-N 1 0 296.323 1.615 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[NH+](C)C)c1 ZINC000046272696 342054778 /nfs/dbraw/zinc/05/47/78/342054778.db2.gz LRKHRNNXPFBGJG-SECBINFHSA-N 1 0 297.380 1.997 20 5 CDBDRO O=[N+]([O-])c1sccc1NC[C@H]1CCC[N@H+]1CCCO ZINC000590708005 342585304 /nfs/dbraw/zinc/58/53/04/342585304.db2.gz FMRHUJRNLCGMOY-SNVBAGLBSA-N 1 0 285.369 1.915 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000237595051 342062337 /nfs/dbraw/zinc/06/23/37/342062337.db2.gz HXZQGEVPUASJGX-WDEREUQCSA-N 1 0 293.323 1.312 20 5 CDBDRO O=C(NCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000046855536 342089557 /nfs/dbraw/zinc/08/95/57/342089557.db2.gz LJCAVNFBOXDZMF-UHFFFAOYSA-N 1 0 266.301 1.139 20 5 CDBDRO COCCN1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000273084718 192038398 /nfs/dbraw/zinc/03/83/98/192038398.db2.gz LSPPQXOLYWCZIW-AWEZNQCLSA-N 1 0 293.367 1.448 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[NH2+]CC1 ZINC000591348263 342626938 /nfs/dbraw/zinc/62/69/38/342626938.db2.gz ILYOJXAXVLLLSS-GFCCVEGCSA-N 1 0 292.339 1.536 20 5 CDBDRO O=[N+]([O-])c1c(N2CC[C@@H]3CC[NH2+][C@@H]3C2)nc2sccn21 ZINC000591438091 342631865 /nfs/dbraw/zinc/63/18/65/342631865.db2.gz KWYHARGUZJBLCT-DTWKUNHWSA-N 1 0 293.352 1.492 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3CC[NH2+][C@@H]3C2)n1 ZINC000591437738 342631919 /nfs/dbraw/zinc/63/19/19/342631919.db2.gz JWICHNBDMAMDDU-NWDGAFQWSA-N 1 0 276.340 1.795 20 5 CDBDRO COc1ccc(C[NH2+][C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000096811732 185115919 /nfs/dbraw/zinc/11/59/19/185115919.db2.gz YCJBBAVMCJNLNX-VIFPVBQESA-N 1 0 254.286 1.464 20 5 CDBDRO COc1cccc(C(=O)N(C)CCC[NH3+])c1[N+](=O)[O-] ZINC000591679295 342641662 /nfs/dbraw/zinc/64/16/62/342641662.db2.gz PTDSVABJKSSFHE-UHFFFAOYSA-N 1 0 267.285 1.024 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000592333539 342685674 /nfs/dbraw/zinc/68/56/74/342685674.db2.gz JDKHPURJZQQMNO-ZETCQYMHSA-N 1 0 263.253 1.418 20 5 CDBDRO O=C(CC[NH2+]CC1(CO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000592430173 342695408 /nfs/dbraw/zinc/69/54/08/342695408.db2.gz FYQIIXPOWPDDTN-UHFFFAOYSA-N 1 0 293.323 1.286 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000070253668 361870141 /nfs/dbraw/zinc/87/01/41/361870141.db2.gz XSIBEAHKZSNURW-ZDUSSCGKSA-N 1 0 289.335 1.601 20 5 CDBDRO C[C@@H](CCO)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000593109028 342769183 /nfs/dbraw/zinc/76/91/83/342769183.db2.gz GLXCQPINLIMHNZ-NSHDSACASA-N 1 0 268.313 1.676 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000593188199 342776240 /nfs/dbraw/zinc/77/62/40/342776240.db2.gz YNWFADNVVCWSAV-MXWKQRLJSA-N 1 0 294.355 1.486 20 5 CDBDRO C[NH+](C)C(C)(C)CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593389345 342793744 /nfs/dbraw/zinc/79/37/44/342793744.db2.gz QYEVJENJCVBLDP-UHFFFAOYSA-N 1 0 297.330 1.733 20 5 CDBDRO C[C@@H]([NH3+])CCC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000070316629 361930139 /nfs/dbraw/zinc/93/01/39/361930139.db2.gz VEXILKAUYNPDMN-SNVBAGLBSA-N 1 0 265.313 1.681 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2N[C@@H]2CC[NH2+]C2)n1 ZINC000600712842 342243865 /nfs/dbraw/zinc/24/38/65/342243865.db2.gz BGAWBDCGGXPTHZ-UTUOFQBUSA-N 1 0 279.344 1.227 20 5 CDBDRO CCN(CC[NH3+])[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000600716936 342244382 /nfs/dbraw/zinc/24/43/82/342244382.db2.gz NJHXIFWKUQBCND-SNVBAGLBSA-N 1 0 280.328 1.202 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC[NH3+] ZINC000420108531 539107030 /nfs/dbraw/zinc/10/70/30/539107030.db2.gz CLJLPKKHXNAQCU-UHFFFAOYSA-N 1 0 273.676 1.405 20 5 CDBDRO C[C@H](CCO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594496278 342914180 /nfs/dbraw/zinc/91/41/80/342914180.db2.gz YYFKUJLJAFMCOO-BXKDBHETSA-N 1 0 250.298 1.943 20 5 CDBDRO C[NH2+]C(C)(C)c1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594649291 342931916 /nfs/dbraw/zinc/93/19/16/342931916.db2.gz JKNFFRBIGSHNGW-UHFFFAOYSA-N 1 0 262.273 1.025 20 5 CDBDRO COc1ccc(C[NH2+]C(C)(C)C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000108422670 349739406 /nfs/dbraw/zinc/73/94/06/349739406.db2.gz MMGQBYRIHZIPQA-UHFFFAOYSA-N 1 0 295.339 1.560 20 5 CDBDRO CC(C)C1C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000619506669 349757708 /nfs/dbraw/zinc/75/77/08/349757708.db2.gz FEKGPKMGRIHEDG-ZDUSSCGKSA-N 1 0 294.351 1.922 20 5 CDBDRO CCc1nn(C)c(N2C[C@@H](C)[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000091561231 349779012 /nfs/dbraw/zinc/77/90/12/349779012.db2.gz ZBFYJIRZBPZUNU-DTORHVGOSA-N 1 0 267.333 1.077 20 5 CDBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000230686377 349785729 /nfs/dbraw/zinc/78/57/29/349785729.db2.gz FZCMTEKJLSNUEP-VIFPVBQESA-N 1 0 295.343 1.032 20 5 CDBDRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595435493 343060349 /nfs/dbraw/zinc/06/03/49/343060349.db2.gz GNXXWGZMEYNZIC-NWDGAFQWSA-N 1 0 295.314 1.868 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C(C)(C)CO ZINC000619531654 349793171 /nfs/dbraw/zinc/79/31/71/349793171.db2.gz YSUQBYWPSKJQTN-UHFFFAOYSA-N 1 0 268.313 1.806 20 5 CDBDRO CC1(C)CC(Nc2ncc([N+](=O)[O-])c(N)n2)CC(C)(C)[NH2+]1 ZINC000076267660 342320240 /nfs/dbraw/zinc/32/02/40/342320240.db2.gz NTHLBNGURZHALU-UHFFFAOYSA-N 1 0 294.359 1.688 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235729947 362039344 /nfs/dbraw/zinc/03/93/44/362039344.db2.gz TYLWKQNKKWSUPB-VHSXEESVSA-N 1 0 263.297 1.465 20 5 CDBDRO CC[C@@H]1CCC[C@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515166478 362083967 /nfs/dbraw/zinc/08/39/67/362083967.db2.gz RCNATGDGBNATQS-MBNYWOFBSA-N 1 0 296.371 1.568 20 5 CDBDRO CCC(CC)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000515165658 362084307 /nfs/dbraw/zinc/08/43/07/362084307.db2.gz UUCQJEHJUPVAMW-UHFFFAOYSA-N 1 0 295.339 1.851 20 5 CDBDRO C[C@H](O)[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000595767521 343146152 /nfs/dbraw/zinc/14/61/52/343146152.db2.gz YIRRKVZDCVEORV-SMDDNHRTSA-N 1 0 264.325 1.983 20 5 CDBDRO C[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1CCO ZINC000595706019 343127461 /nfs/dbraw/zinc/12/74/61/343127461.db2.gz WPCLWWNECZCVKN-RYUDHWBXSA-N 1 0 282.344 1.274 20 5 CDBDRO Cc1noc(C[N@H+]2CCCC[C@@H]2[C@H](C)CO)c1[N+](=O)[O-] ZINC000595671371 343127814 /nfs/dbraw/zinc/12/78/14/343127814.db2.gz FBFFFOORTGOOEY-MWLCHTKSSA-N 1 0 283.328 1.874 20 5 CDBDRO Cc1ccc(C(=O)NCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000595940557 343203745 /nfs/dbraw/zinc/20/37/45/343203745.db2.gz GSRXYQWEXKTTOZ-UHFFFAOYSA-N 1 0 277.324 1.905 20 5 CDBDRO C[NH2+]C[C@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000596104591 343228045 /nfs/dbraw/zinc/22/80/45/343228045.db2.gz GVGAIMIQPIWVPU-VIFPVBQESA-N 1 0 253.302 1.301 20 5 CDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000081365404 342367608 /nfs/dbraw/zinc/36/76/08/342367608.db2.gz SZYSDQNRDNWBHD-NSHDSACASA-N 1 0 294.355 1.727 20 5 CDBDRO COC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000382541787 362161176 /nfs/dbraw/zinc/16/11/76/362161176.db2.gz BDPKVMFWXYHNSU-GWCFXTLKSA-N 1 0 268.313 1.643 20 5 CDBDRO CSc1ccc(C(=O)N(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000158831560 342393712 /nfs/dbraw/zinc/39/37/12/342393712.db2.gz NVPHAERJKOOBLV-UHFFFAOYSA-N 1 0 283.353 1.738 20 5 CDBDRO C[C@@]1(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000597433351 343535861 /nfs/dbraw/zinc/53/58/61/343535861.db2.gz IDIZNIHYENJTPI-CQSZACIVSA-N 1 0 292.339 1.189 20 5 CDBDRO CCc1n[nH]c(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC000597531235 343567327 /nfs/dbraw/zinc/56/73/27/343567327.db2.gz AMDYTHAMHPZVBD-NXEZZACHSA-N 1 0 295.343 1.093 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000597532920 343567762 /nfs/dbraw/zinc/56/77/62/343567762.db2.gz OLNBFZUJIDABGG-CHWSQXEVSA-N 1 0 295.314 1.946 20 5 CDBDRO CC1CC[NH+](CCCNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000565987748 365772921 /nfs/dbraw/zinc/77/29/21/365772921.db2.gz MVISHWZFJKPSTH-UHFFFAOYSA-N 1 0 295.343 1.170 20 5 CDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000597696518 343614373 /nfs/dbraw/zinc/61/43/73/343614373.db2.gz BXWNQAKQWZWYIF-ZANVPECISA-N 1 0 295.314 1.899 20 5 CDBDRO C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[NH+](C)C ZINC000597802137 343642133 /nfs/dbraw/zinc/64/21/33/343642133.db2.gz YBJOUKSPKXEEKE-QMMMGPOBSA-N 1 0 295.295 1.003 20 5 CDBDRO CCC(CC)(C[NH3+])NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000111831250 365796803 /nfs/dbraw/zinc/79/68/03/365796803.db2.gz CQJZQDZPNQTCBP-UHFFFAOYSA-N 1 0 283.303 1.981 20 5 CDBDRO COC(=O)c1ccnc(N[C@@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000598592144 343838169 /nfs/dbraw/zinc/83/81/69/343838169.db2.gz GEROVZNZYXOTHH-VIFPVBQESA-N 1 0 296.327 1.529 20 5 CDBDRO [NH3+][C@@]12CCC[C@@H]1CN(CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000598682867 343864372 /nfs/dbraw/zinc/86/43/72/343864372.db2.gz POIYGBWWYNCEMJ-IUODEOHRSA-N 1 0 291.351 1.787 20 5 CDBDRO CC1CC(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000598729240 343887587 /nfs/dbraw/zinc/88/75/87/343887587.db2.gz HOLYLPGKTPEBPG-WXRRBKDZSA-N 1 0 294.351 1.970 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)[NH2+][C@@H](C)C2)n1 ZINC000599102339 343954648 /nfs/dbraw/zinc/95/46/48/343954648.db2.gz DHEMYZFYOAKBOM-PHIMTYICSA-N 1 0 264.329 1.793 20 5 CDBDRO C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000515401157 362310782 /nfs/dbraw/zinc/31/07/82/362310782.db2.gz MTTUSKHDRHQTPB-BXUZGUMPSA-N 1 0 291.351 1.909 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCOCC[NH3+] ZINC000599589380 344094400 /nfs/dbraw/zinc/09/44/00/344094400.db2.gz SCCWNHWBTXUXFE-UHFFFAOYSA-N 1 0 296.327 1.342 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000599989197 344160395 /nfs/dbraw/zinc/16/03/95/344160395.db2.gz VRYMNKBKPQWPFB-ITGUQSILSA-N 1 0 275.308 1.227 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601559437 344191668 /nfs/dbraw/zinc/19/16/68/344191668.db2.gz QDHSKDKWGNUVDM-QWRGUYRKSA-N 1 0 290.323 1.790 20 5 CDBDRO O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000601972975 344300667 /nfs/dbraw/zinc/30/06/67/344300667.db2.gz GHBQLLMBBKTYAK-RISCZKNCSA-N 1 0 275.308 1.467 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602423020 344420418 /nfs/dbraw/zinc/42/04/18/344420418.db2.gz BLIMYMGUJYQQNS-QMMMGPOBSA-N 1 0 267.260 1.168 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000602597106 344503192 /nfs/dbraw/zinc/50/31/92/344503192.db2.gz UTVWLRLOCLZOGX-PSASIEDQSA-N 1 0 297.742 1.739 20 5 CDBDRO CC[NH2+][C@@H](C)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000602498672 344442353 /nfs/dbraw/zinc/44/23/53/344442353.db2.gz DNPJXRJXMQMDIG-QMMMGPOBSA-N 1 0 267.285 1.540 20 5 CDBDRO CC[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000602492651 344450695 /nfs/dbraw/zinc/45/06/95/344450695.db2.gz NZVHVDOWQJMESS-ONGXEEELSA-N 1 0 295.314 1.933 20 5 CDBDRO Cc1ccc(C(=O)N2CC[NH2+]C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000602532503 344469955 /nfs/dbraw/zinc/46/99/55/344469955.db2.gz YAENPANLDJWGQQ-AWEZNQCLSA-N 1 0 291.351 1.973 20 5 CDBDRO CO[C@@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000602579319 344474659 /nfs/dbraw/zinc/47/46/59/344474659.db2.gz GKCIVWNDDOXTLY-HIFRSBDPSA-N 1 0 294.351 1.778 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602592291 344481079 /nfs/dbraw/zinc/48/10/79/344481079.db2.gz PXTMTMDSOSZHGB-PHIMTYICSA-N 1 0 261.281 1.171 20 5 CDBDRO CCOC[C@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602784017 344598274 /nfs/dbraw/zinc/59/82/74/344598274.db2.gz GYAMOIYBPNKNKP-ZDUSSCGKSA-N 1 0 296.371 1.848 20 5 CDBDRO CO[C@@H](C)C[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602826722 344612509 /nfs/dbraw/zinc/61/25/09/344612509.db2.gz JILQKQAKNQXPNH-VIFPVBQESA-N 1 0 256.306 1.066 20 5 CDBDRO CCCC[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159699580 362492953 /nfs/dbraw/zinc/49/29/53/362492953.db2.gz MFSBCTMEJQFNHU-UHFFFAOYSA-N 1 0 253.302 1.488 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000602810898 344602745 /nfs/dbraw/zinc/60/27/45/344602745.db2.gz IMRPCQZNATXJGM-RYUDHWBXSA-N 1 0 264.329 1.974 20 5 CDBDRO CN(CC(C)(C)C[NH3+])C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000093873396 282366270 /nfs/dbraw/zinc/36/62/70/282366270.db2.gz KECDEXFJFMECHR-UHFFFAOYSA-N 1 0 279.340 1.581 20 5 CDBDRO CC1(C)C[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000604282928 344872509 /nfs/dbraw/zinc/87/25/09/344872509.db2.gz NTCFHZYIOVWWHS-DGCLKSJQSA-N 1 0 280.324 1.723 20 5 CDBDRO CNc1ccc(C(=O)NC[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000314226632 344910965 /nfs/dbraw/zinc/91/09/65/344910965.db2.gz VKPRVBWDHJFWJS-SNVBAGLBSA-N 1 0 294.355 1.564 20 5 CDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC[NH+](C)CC1 ZINC000604552381 344903010 /nfs/dbraw/zinc/90/30/10/344903010.db2.gz LMKNKRFGZWUMAI-SECBINFHSA-N 1 0 280.328 1.383 20 5 CDBDRO O=[N+]([O-])c1cc(Br)ccc1OCC1C[NH2+]C1 ZINC000304398782 344906210 /nfs/dbraw/zinc/90/62/10/344906210.db2.gz AKRLATHOFMUSJT-UHFFFAOYSA-N 1 0 287.113 1.956 20 5 CDBDRO Nc1ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)nc1[N+](=O)[O-] ZINC000314141946 344909835 /nfs/dbraw/zinc/90/98/35/344909835.db2.gz GLVNBIVKBZIRPW-LLVKDONJSA-N 1 0 291.355 1.637 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](O)CC2)c1 ZINC000293133885 362531890 /nfs/dbraw/zinc/53/18/90/362531890.db2.gz NBJRBJOZYNHTNN-UONOGXRCSA-N 1 0 280.324 1.475 20 5 CDBDRO C[C@@H]([N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000610335771 346255182 /nfs/dbraw/zinc/25/51/82/346255182.db2.gz GZNHPLGTOXPUEF-PWSUYJOCSA-N 1 0 284.360 1.519 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccsc1 ZINC000610484877 346289290 /nfs/dbraw/zinc/28/92/90/346289290.db2.gz XKIQHMWBBOUPMP-UHFFFAOYSA-N 1 0 266.326 1.985 20 5 CDBDRO O=[N+]([O-])c1ncccc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000610541903 346307728 /nfs/dbraw/zinc/30/77/28/346307728.db2.gz KXYGVLFEAHETLQ-LBPRGKRZSA-N 1 0 292.339 1.148 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CCC[C@@H]32)c1 ZINC000610762681 346398277 /nfs/dbraw/zinc/39/82/77/346398277.db2.gz NXSMNHXKKHVNHF-LNSITVRQSA-N 1 0 292.335 1.819 20 5 CDBDRO C[NH+](C)CCO[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000610764491 346399516 /nfs/dbraw/zinc/39/95/16/346399516.db2.gz ZKYYRJFFSLKTQV-LBPRGKRZSA-N 1 0 280.328 1.147 20 5 CDBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000618937318 347733184 /nfs/dbraw/zinc/73/31/84/347733184.db2.gz ZFRPNNHLVPRXRM-JTQLQIEISA-N 1 0 295.343 1.026 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000087383735 179418210 /nfs/dbraw/zinc/41/82/10/179418210.db2.gz NGHBNKPSCNSMJV-GFCCVEGCSA-N 1 0 263.297 1.370 20 5 CDBDRO C[C@H](NC(=O)NCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000133476024 299154618 /nfs/dbraw/zinc/15/46/18/299154618.db2.gz YBKBZDNSIFYUBI-JTQLQIEISA-N 1 0 280.328 1.517 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+](CCO)CC1CC1 ZINC000064516008 348942750 /nfs/dbraw/zinc/94/27/50/348942750.db2.gz ILPNKFFFBUQGRK-UHFFFAOYSA-N 1 0 280.324 1.678 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000067632543 349030866 /nfs/dbraw/zinc/03/08/66/349030866.db2.gz HTBKHOYQVNOKFX-JTQLQIEISA-N 1 0 281.312 1.648 20 5 CDBDRO C[N@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000273486699 192170221 /nfs/dbraw/zinc/17/02/21/192170221.db2.gz RPWBSHMUJQGOIO-UHFFFAOYSA-N 1 0 296.302 1.950 20 5 CDBDRO COC[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000069913092 349110981 /nfs/dbraw/zinc/11/09/81/349110981.db2.gz VLRNAPXOFMJZFZ-GFCCVEGCSA-N 1 0 254.286 1.082 20 5 CDBDRO O=C(NC1CC[NH2+]CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111010094 349220304 /nfs/dbraw/zinc/22/03/04/349220304.db2.gz KXBPKRGSNDEBKJ-UHFFFAOYSA-N 1 0 283.715 1.730 20 5 CDBDRO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000105871198 186080719 /nfs/dbraw/zinc/08/07/19/186080719.db2.gz MLYGSBOGPNQUBS-PWSUYJOCSA-N 1 0 287.323 1.852 20 5 CDBDRO C[C@@H]([NH3+])C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000110647314 186309358 /nfs/dbraw/zinc/30/93/58/186309358.db2.gz AOZRPFHKTWSQHH-LLVKDONJSA-N 1 0 291.351 1.723 20 5 CDBDRO Cc1nn(C)c(NC[C@@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000062075616 362978887 /nfs/dbraw/zinc/97/88/87/362978887.db2.gz QCSYRDCLMBEISL-SNVBAGLBSA-N 1 0 281.360 1.781 20 5 CDBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1csc([N+](=O)[O-])c1 ZINC000111828964 186461267 /nfs/dbraw/zinc/46/12/67/186461267.db2.gz HNFUNBSHGUJCAF-SECBINFHSA-N 1 0 271.342 1.760 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CC[NH2+]C1 ZINC000062114890 363009303 /nfs/dbraw/zinc/00/93/03/363009303.db2.gz RPEXPYUPIHAKCE-JTQLQIEISA-N 1 0 263.297 1.163 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000156094704 351451367 /nfs/dbraw/zinc/45/13/67/351451367.db2.gz BISMEZJZZVGOIY-NXEZZACHSA-N 1 0 278.312 1.938 20 5 CDBDRO Cc1nc(NCC[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000124122437 187123476 /nfs/dbraw/zinc/12/34/76/187123476.db2.gz BCVJCEWIIGXMIL-JTQLQIEISA-N 1 0 250.302 1.710 20 5 CDBDRO COc1ccc(NC(=O)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000136475911 363111088 /nfs/dbraw/zinc/11/10/88/363111088.db2.gz BNOQTYFEQVXLBP-ZETCQYMHSA-N 1 0 253.258 1.137 20 5 CDBDRO COc1ccc(NC(=O)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000136484125 363122430 /nfs/dbraw/zinc/12/24/30/363122430.db2.gz UNASHQLDPTYBIR-QMMMGPOBSA-N 1 0 265.269 1.151 20 5 CDBDRO Cc1c(CNC(=O)[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000231856108 140219804 /nfs/dbraw/zinc/21/98/04/140219804.db2.gz CWJUWCMXMSVMPE-NSHDSACASA-N 1 0 263.297 1.129 20 5 CDBDRO COc1ccc(C(=O)N[C@@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000292075777 198154278 /nfs/dbraw/zinc/15/42/78/198154278.db2.gz LPGRQSXTTOBVRT-JTQLQIEISA-N 1 0 295.339 1.851 20 5 CDBDRO O=C(CC[C@@H]1CC[NH2+]C1)NCc1ccc([N+](=O)[O-])cc1 ZINC000134505400 187754806 /nfs/dbraw/zinc/75/48/06/187754806.db2.gz NKDRFQONXGMKBL-GFCCVEGCSA-N 1 0 277.324 1.601 20 5 CDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1(CO)CCC1 ZINC000292166353 198188642 /nfs/dbraw/zinc/18/86/42/198188642.db2.gz PDEILJSFGZRUFH-UHFFFAOYSA-N 1 0 250.298 1.942 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH+]2C[C@H]3CCC[C@@H]3C2)c1 ZINC000152878283 188049930 /nfs/dbraw/zinc/04/99/30/188049930.db2.gz DKFPBGLMZXLYGJ-GHMZBOCLSA-N 1 0 250.302 1.523 20 5 CDBDRO COc1cc(C(=O)N2CC[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000156717575 188278149 /nfs/dbraw/zinc/27/81/49/188278149.db2.gz FCIPJRDXKUNXSM-VIFPVBQESA-N 1 0 279.296 1.037 20 5 CDBDRO CC(C)C(=O)NCC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000157397037 188314602 /nfs/dbraw/zinc/31/46/02/188314602.db2.gz JVIWLWFTPBRGSC-UHFFFAOYSA-N 1 0 293.367 1.841 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000157795725 188339181 /nfs/dbraw/zinc/33/91/81/188339181.db2.gz GJPXZNOPDAWPHK-GFCCVEGCSA-N 1 0 277.324 1.477 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000295176251 199389757 /nfs/dbraw/zinc/38/97/57/199389757.db2.gz GWDGIONUGRKANO-VIFPVBQESA-N 1 0 251.286 1.452 20 5 CDBDRO Cc1cc(C(=O)N2CCC[C@@H]([NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000158243841 188365596 /nfs/dbraw/zinc/36/55/96/188365596.db2.gz NBGWPLRCICODME-SECBINFHSA-N 1 0 278.312 1.049 20 5 CDBDRO CCNC(=O)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000293197928 198557706 /nfs/dbraw/zinc/55/77/06/198557706.db2.gz IMYYZRYTTKKWAV-ZDUSSCGKSA-N 1 0 297.330 1.984 20 5 CDBDRO Cc1c(NC(=O)[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000037029850 363316516 /nfs/dbraw/zinc/31/65/16/363316516.db2.gz WQGXHRBXZJQPOB-JTQLQIEISA-N 1 0 263.297 1.841 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000272311576 191649986 /nfs/dbraw/zinc/64/99/86/191649986.db2.gz RZVMIZITDXSZCZ-QWRGUYRKSA-N 1 0 293.323 1.169 20 5 CDBDRO O=C1NCC[C@@]12CCCN2Cc1ccc([N+](=O)[O-])cc1 ZINC000578080091 356131754 /nfs/dbraw/zinc/13/17/54/356131754.db2.gz MNOHUFBXNGUGOZ-AWEZNQCLSA-N 1 0 275.308 1.449 20 5 CDBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000336813812 356272649 /nfs/dbraw/zinc/27/26/49/356272649.db2.gz VOQAPXXLWHPWSE-NEPJUHHUSA-N 1 0 268.288 1.983 20 5 CDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C(C)(C)CO ZINC000134841758 356421025 /nfs/dbraw/zinc/42/10/25/356421025.db2.gz IUESREWJNHDWBC-UHFFFAOYSA-N 1 0 252.314 1.840 20 5 CDBDRO C[C@H]([NH2+]CCC(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000037751831 356528497 /nfs/dbraw/zinc/52/84/97/356528497.db2.gz YUCBBFSMQLEATO-JTQLQIEISA-N 1 0 265.313 1.724 20 5 CDBDRO CCOc1cccc(NC[C@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC000135060202 357315085 /nfs/dbraw/zinc/31/50/85/357315085.db2.gz LOIXLOQSSLHYAB-SNVBAGLBSA-N 1 0 281.312 1.394 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000261864040 357336341 /nfs/dbraw/zinc/33/63/41/357336341.db2.gz RNIJZNRYNHMQMO-JGVFFNPUSA-N 1 0 296.302 1.125 20 5 CDBDRO C[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC2(CCC2)O1 ZINC000566185012 357426648 /nfs/dbraw/zinc/42/66/48/357426648.db2.gz SWJSAIOJCXPTHX-JTQLQIEISA-N 1 0 280.328 1.472 20 5 CDBDRO O=[N+]([O-])c1cccc(OCCN2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360542633 357436568 /nfs/dbraw/zinc/43/65/68/357436568.db2.gz DBNRNFWGQSVKEO-HNNXBMFYSA-N 1 0 291.351 1.659 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000186741343 357682577 /nfs/dbraw/zinc/68/25/77/357682577.db2.gz PHXGECULRCJHCK-HNNXBMFYSA-N 1 0 293.367 1.654 20 5 CDBDRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000361079566 357793872 /nfs/dbraw/zinc/79/38/72/357793872.db2.gz LLSCBWMUFRCDLP-UONOGXRCSA-N 1 0 289.335 1.713 20 5 CDBDRO Cc1c(CN2CCO[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000165024784 363589823 /nfs/dbraw/zinc/58/98/23/363589823.db2.gz SYUNXCATCCRXRR-GFCCVEGCSA-N 1 0 265.313 1.063 20 5 CDBDRO Cc1cc(NC(=O)NC2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC001579631481 1172228414 /nfs/dbraw/zinc/22/84/14/1172228414.db2.gz UKJAYYBHNIDUIC-UHFFFAOYSA-N 1 0 278.312 1.777 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@@]23CCC[NH2+]C3)n1 ZINC001579642681 1172232452 /nfs/dbraw/zinc/23/24/52/1172232452.db2.gz PUZQKOPVPBHZCJ-CQSZACIVSA-N 1 0 290.323 1.266 20 5 CDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000408122509 358164386 /nfs/dbraw/zinc/16/43/86/358164386.db2.gz XWUFSEWGOHXAAA-KOLCDFICSA-N 1 0 293.327 1.017 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H](C(N)=O)C(C)(C)C ZINC000109331641 358170516 /nfs/dbraw/zinc/17/05/16/358170516.db2.gz LACWGAFDDREXNC-LBPRGKRZSA-N 1 0 295.339 1.593 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNc1ncc([N+](=O)[O-])c(C)n1 ZINC000294793344 199186234 /nfs/dbraw/zinc/18/62/34/199186234.db2.gz BQOVNCZQCLWBMV-SECBINFHSA-N 1 0 267.333 1.835 20 5 CDBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408203104 358384551 /nfs/dbraw/zinc/38/45/51/358384551.db2.gz KJOGTGLMRJMBIM-GFCCVEGCSA-N 1 0 280.328 1.335 20 5 CDBDRO CCc1ccc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000195244344 358421834 /nfs/dbraw/zinc/42/18/34/358421834.db2.gz WCJDGCPYQQTVGJ-BETUJISGSA-N 1 0 289.335 1.449 20 5 CDBDRO O=c1c(Cl)cc([N+](=O)[O-])cn1CCC1CC[NH2+]CC1 ZINC000566791602 358424484 /nfs/dbraw/zinc/42/44/84/358424484.db2.gz LLGUEQFYDSKMAA-UHFFFAOYSA-N 1 0 285.731 1.800 20 5 CDBDRO CC1=CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000280820736 358650459 /nfs/dbraw/zinc/65/04/59/358650459.db2.gz NHPXGRHBZJLHIL-AWEZNQCLSA-N 1 0 292.335 1.987 20 5 CDBDRO CC[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341583089 358666305 /nfs/dbraw/zinc/66/63/05/358666305.db2.gz JZLPQDFZIAKQAV-LLVKDONJSA-N 1 0 265.313 1.631 20 5 CDBDRO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCS1 ZINC000176230468 358743042 /nfs/dbraw/zinc/74/30/42/358743042.db2.gz CMPJKZLRFATQLY-SECBINFHSA-N 1 0 256.331 1.229 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000185197666 358774253 /nfs/dbraw/zinc/77/42/53/358774253.db2.gz AZJPNALJTAIQQA-ZLKJLUDKSA-N 1 0 289.335 1.713 20 5 CDBDRO CC(C)[C@H](CO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000342194083 358959592 /nfs/dbraw/zinc/95/95/92/358959592.db2.gz DUXWREZNRLBMIF-LBPRGKRZSA-N 1 0 252.314 1.949 20 5 CDBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330942196 359028560 /nfs/dbraw/zinc/02/85/60/359028560.db2.gz GFASDCALPSCLGJ-DMDPSCGWSA-N 1 0 282.344 1.273 20 5 CDBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000357906757 359004913 /nfs/dbraw/zinc/00/49/13/359004913.db2.gz IXCRLDGXDQYQNI-GHMZBOCLSA-N 1 0 252.318 1.912 20 5 CDBDRO CO[C@@]1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCOC1 ZINC000573814181 359068126 /nfs/dbraw/zinc/06/81/26/359068126.db2.gz CAYRJPZKSOFJAQ-UKRRQHHQSA-N 1 0 292.335 1.977 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000229724468 359092764 /nfs/dbraw/zinc/09/27/64/359092764.db2.gz GSUWEFSKUVXFQK-OCCSQVGLSA-N 1 0 289.335 1.951 20 5 CDBDRO COCC[N@H+](C)C[C@@H](O)COc1cccc(C)c1[N+](=O)[O-] ZINC000313947529 359154019 /nfs/dbraw/zinc/15/40/19/359154019.db2.gz BRPIOWHWXBTLSV-GFCCVEGCSA-N 1 0 298.339 1.221 20 5 CDBDRO COC[C@@H]1C[C@@H](OC)CN1Cc1csc([N+](=O)[O-])c1 ZINC000332716793 359173289 /nfs/dbraw/zinc/17/32/89/359173289.db2.gz QEIHKUQFWHSNBY-WDEREUQCSA-N 1 0 286.353 1.892 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1[N+](=O)[O-] ZINC000365279454 359246619 /nfs/dbraw/zinc/24/66/19/359246619.db2.gz YPHGUNNXWADZPJ-AAEUAGOBSA-N 1 0 289.335 1.727 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000112926275 359365205 /nfs/dbraw/zinc/36/52/05/359365205.db2.gz YRIUFBLWLMHENI-UHFFFAOYSA-N 1 0 271.342 1.646 20 5 CDBDRO CC(C)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1(CO)CCC1 ZINC000339726843 359427722 /nfs/dbraw/zinc/42/77/22/359427722.db2.gz CFXXFZNXLLROSZ-ZDUSSCGKSA-N 1 0 296.371 1.568 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000339775147 359439886 /nfs/dbraw/zinc/43/98/86/359439886.db2.gz DWCBMCFGGQWGFE-ZDUSSCGKSA-N 1 0 280.324 1.950 20 5 CDBDRO [NH3+]C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000033439835 359700445 /nfs/dbraw/zinc/70/04/45/359700445.db2.gz YCDRSTGIKYWONX-UHFFFAOYSA-N 1 0 265.313 1.397 20 5 CDBDRO C[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000331020285 359744238 /nfs/dbraw/zinc/74/42/38/359744238.db2.gz XLVOVMPCTHNSIU-ZYHUDNBSSA-N 1 0 282.344 1.273 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000408469902 359820067 /nfs/dbraw/zinc/82/00/67/359820067.db2.gz SYEQKJSNTLJYPJ-OCCSQVGLSA-N 1 0 289.335 1.679 20 5 CDBDRO CC[C@]1(C)CN(CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000135722187 359952134 /nfs/dbraw/zinc/95/21/34/359952134.db2.gz OQKMZIXEGHQDQU-GFCCVEGCSA-N 1 0 268.317 1.292 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000130399004 360035324 /nfs/dbraw/zinc/03/53/24/360035324.db2.gz JUDZCUHUJPDBNK-MRVPVSSYSA-N 1 0 255.274 1.435 20 5 CDBDRO Cc1cc(C(=O)NC(C)(C)C[NH3+])ccc1[N+](=O)[O-] ZINC000063020159 360120237 /nfs/dbraw/zinc/12/02/37/360120237.db2.gz IFWPNZIGNPMQNA-UHFFFAOYSA-N 1 0 251.286 1.370 20 5 CDBDRO C[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])S(C)(=O)=O ZINC000573137423 360202266 /nfs/dbraw/zinc/20/22/66/360202266.db2.gz NNNNMKXJBJZIFM-SKDRFNHKSA-N 1 0 298.364 1.605 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177088645 189028061 /nfs/dbraw/zinc/02/80/61/189028061.db2.gz ZVICZJFWFCPEDX-CMPLNLGQSA-N 1 0 289.335 1.950 20 5 CDBDRO [NH3+]C[C@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000178522016 189123967 /nfs/dbraw/zinc/12/39/67/189123967.db2.gz BPJYALDDYARCHS-GFCCVEGCSA-N 1 0 277.324 1.335 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C)C2=O)cc1[N+](=O)[O-] ZINC000178688882 189137764 /nfs/dbraw/zinc/13/77/64/189137764.db2.gz DUGDXSOJKRNQGR-PWSUYJOCSA-N 1 0 277.324 1.785 20 5 CDBDRO C[N@H+]1CC=C(CNc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000342790843 360756072 /nfs/dbraw/zinc/75/60/72/360756072.db2.gz RGXRQXIYGSMCBC-UHFFFAOYSA-N 1 0 293.352 1.978 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000053202624 361205004 /nfs/dbraw/zinc/20/50/04/361205004.db2.gz TZZRGHZHBVJCBS-NSHDSACASA-N 1 0 263.297 1.419 20 5 CDBDRO C[NH2+][C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000053203227 361205148 /nfs/dbraw/zinc/20/51/48/361205148.db2.gz DIWZIFWYRPXVFL-GFCCVEGCSA-N 1 0 279.340 1.787 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000053202297 361204157 /nfs/dbraw/zinc/20/41/57/361204157.db2.gz XQMMDOTVSGEYIA-YSKGHYERSA-N 1 0 289.335 1.818 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000168627800 361345308 /nfs/dbraw/zinc/34/53/08/361345308.db2.gz ZDSSAJHIAAOYEV-WDEREUQCSA-N 1 0 279.340 1.773 20 5 CDBDRO Cc1nn(C)c(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000301513720 201039532 /nfs/dbraw/zinc/03/95/32/201039532.db2.gz FUGVOANMEZFWLJ-WDEREUQCSA-N 1 0 281.360 1.921 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000237373656 361373032 /nfs/dbraw/zinc/37/30/32/361373032.db2.gz CGKGCYAVBANIDQ-ZETCQYMHSA-N 1 0 271.704 1.573 20 5 CDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+](C)C(C)C ZINC000301562844 201068399 /nfs/dbraw/zinc/06/83/99/201068399.db2.gz PCTQFTFNFFHPPC-UHFFFAOYSA-N 1 0 294.355 1.707 20 5 CDBDRO Cc1ccc(C(=O)N(C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000036283235 361421370 /nfs/dbraw/zinc/42/13/70/361421370.db2.gz VHYUTYNKYWSBHL-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO CN(C(=O)c1csc([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000295331462 239305480 /nfs/dbraw/zinc/30/54/80/239305480.db2.gz XOAUAEUGFLXRTO-UHFFFAOYSA-N 1 0 255.299 1.218 20 5 CDBDRO C[C@@H]1CCC[C@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304275608 239356699 /nfs/dbraw/zinc/35/66/99/239356699.db2.gz CQEQICZXJSFTCV-DYEKYZERSA-N 1 0 296.371 1.663 20 5 CDBDRO C[C@@H](CCCO)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000581488875 363997660 /nfs/dbraw/zinc/99/76/60/363997660.db2.gz CVIDBAUDTVCVAI-RYUDHWBXSA-N 1 0 298.339 1.085 20 5 CDBDRO C[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000581168600 363968647 /nfs/dbraw/zinc/96/86/47/363968647.db2.gz CUVRCDUJLDIAIA-VHSXEESVSA-N 1 0 295.343 1.168 20 5 CDBDRO CC(=O)NCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173304970 364027237 /nfs/dbraw/zinc/02/72/37/364027237.db2.gz HATATYCYEDYEPS-SNVBAGLBSA-N 1 0 265.313 1.772 20 5 CDBDRO CCOC[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173439353 364044337 /nfs/dbraw/zinc/04/43/37/364044337.db2.gz BVXIWJNCPLVTRT-GWCFXTLKSA-N 1 0 268.313 1.643 20 5 CDBDRO C[NH+](C)C1CN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000270837124 364783144 /nfs/dbraw/zinc/78/31/44/364783144.db2.gz LRVSRSCHOLVMHG-UHFFFAOYSA-N 1 0 255.299 1.042 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000457127191 365415550 /nfs/dbraw/zinc/41/55/50/365415550.db2.gz RLRHDIBGEHBCHJ-JTQLQIEISA-N 1 0 280.328 1.478 20 5 CDBDRO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1O ZINC000270874612 366940860 /nfs/dbraw/zinc/94/08/60/366940860.db2.gz JOYFEEULAXEXEZ-ZWNOBZJWSA-N 1 0 280.324 1.806 20 5 CDBDRO CC[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000270917004 366944562 /nfs/dbraw/zinc/94/45/62/366944562.db2.gz OPDNTQNYJCBAGI-AAEUAGOBSA-N 1 0 280.324 1.676 20 5 CDBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C1 ZINC000270577222 366905044 /nfs/dbraw/zinc/90/50/44/366905044.db2.gz PPMMQKHWPQMHPU-NSHDSACASA-N 1 0 279.340 1.877 20 5 CDBDRO CC(C)C[C@H]([NH3+])c1noc(-c2nn(C)cc2[N+](=O)[O-])n1 ZINC000414613193 241274819 /nfs/dbraw/zinc/27/48/19/241274819.db2.gz FRGPEJUMXUOVLT-ZETCQYMHSA-N 1 0 280.288 1.424 20 5 CDBDRO CCn1cc([N+](=O)[O-])c(-c2nc([C@@H]([NH3+])CC(C)C)no2)n1 ZINC000414621550 241278827 /nfs/dbraw/zinc/27/88/27/241278827.db2.gz RGZYPNCNLUZFFC-QMMMGPOBSA-N 1 0 294.315 1.907 20 5 CDBDRO Cc1c(NC(=O)NC[C@@H]([NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000414711611 241345999 /nfs/dbraw/zinc/34/59/99/241345999.db2.gz SNJPYJPBGPKXOV-SNVBAGLBSA-N 1 0 278.312 1.762 20 5 CDBDRO CCc1ccc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000272193367 367310322 /nfs/dbraw/zinc/31/03/22/367310322.db2.gz FPUXHOTYHBKCMO-GXFFZTMASA-N 1 0 291.351 1.967 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000418621321 243285721 /nfs/dbraw/zinc/28/57/21/243285721.db2.gz RZLAMPXSTHZYFC-JTQLQIEISA-N 1 0 280.328 1.126 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000330595431 203017221 /nfs/dbraw/zinc/01/72/21/203017221.db2.gz QUHYBEBBTYIBNO-NWDGAFQWSA-N 1 0 291.351 1.688 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])c(N)c1F ZINC000420641646 244306036 /nfs/dbraw/zinc/30/60/36/244306036.db2.gz UVSTXYNBFFTSBD-SECBINFHSA-N 1 0 282.319 1.847 20 5 CDBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000094340639 139694839 /nfs/dbraw/zinc/69/48/39/139694839.db2.gz FRUCEGZOGLQZCA-CABZTGNLSA-N 1 0 278.312 1.796 20 5 CDBDRO CC[NH2+]CCN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414830500 370451012 /nfs/dbraw/zinc/45/10/12/370451012.db2.gz OEPCZBWHNXUQIT-NSHDSACASA-N 1 0 294.355 1.511 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[NH2+]C1 ZINC000422749613 245212658 /nfs/dbraw/zinc/21/26/58/245212658.db2.gz ZYZPFRYLLKDPLR-VIFPVBQESA-N 1 0 279.296 1.085 20 5 CDBDRO NCC(F)(F)CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414921648 371106127 /nfs/dbraw/zinc/10/61/27/371106127.db2.gz AZXWRDMXALKUSE-HWKANZROSA-N 1 0 271.267 1.792 20 5 CDBDRO Cc1c(CC(=O)N[C@@](C)(C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000422827465 245306308 /nfs/dbraw/zinc/30/63/08/245306308.db2.gz MYOFKFZOOFWJOE-HNNXBMFYSA-N 1 0 291.351 1.689 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000422835307 245316261 /nfs/dbraw/zinc/31/62/61/245316261.db2.gz YMQPOCHSKYAOOM-SECBINFHSA-N 1 0 295.339 1.497 20 5 CDBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1[C@H]1CCCO1 ZINC000368073653 371505997 /nfs/dbraw/zinc/50/59/97/371505997.db2.gz LMJAGQXEVIGGJG-CHWSQXEVSA-N 1 0 294.355 1.681 20 5 CDBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000289798034 197487786 /nfs/dbraw/zinc/48/77/86/197487786.db2.gz YZGPCEOIGWLBFQ-OLZOCXBDSA-N 1 0 291.351 1.941 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000441624153 373716611 /nfs/dbraw/zinc/71/66/11/373716611.db2.gz JGECHKAYJGJOGD-JTQLQIEISA-N 1 0 281.312 1.075 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCN1CCCOCC1 ZINC000289548695 197398330 /nfs/dbraw/zinc/39/83/30/197398330.db2.gz XLANQNVEITZGSS-UHFFFAOYSA-N 1 0 279.340 1.407 20 5 CDBDRO Cc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000266040381 373769691 /nfs/dbraw/zinc/76/96/91/373769691.db2.gz CJPSEFQAXFUPHG-PSASIEDQSA-N 1 0 295.343 1.039 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000368472843 373842948 /nfs/dbraw/zinc/84/29/48/373842948.db2.gz BGDJPRCTQULPHF-AWEZNQCLSA-N 1 0 262.309 1.942 20 5 CDBDRO CC(C)(C)CC[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273588986 373908787 /nfs/dbraw/zinc/90/87/87/373908787.db2.gz GXGGLSHSDWWDKK-UHFFFAOYSA-N 1 0 293.371 1.943 20 5 CDBDRO Cc1c(CC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cccc1[N+](=O)[O-] ZINC000423624492 245944623 /nfs/dbraw/zinc/94/46/23/245944623.db2.gz PSJBTNUDUFVSLG-ZWNOBZJWSA-N 1 0 291.351 1.702 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000423643896 245956416 /nfs/dbraw/zinc/95/64/16/245956416.db2.gz XQYZPICSHBHUEH-MRVPVSSYSA-N 1 0 281.312 1.250 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000423683865 245978372 /nfs/dbraw/zinc/97/83/72/245978372.db2.gz QPLPZBLAZMYNEP-VHSXEESVSA-N 1 0 265.313 1.677 20 5 CDBDRO CC[C@H](O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000421874230 374338800 /nfs/dbraw/zinc/33/88/00/374338800.db2.gz IOHCGQXJWWBRQT-PWSUYJOCSA-N 1 0 252.314 1.886 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CC1(C[NH3+])CC1 ZINC000422996212 374366355 /nfs/dbraw/zinc/36/63/55/374366355.db2.gz LIFFYYJCPVAHLC-UHFFFAOYSA-N 1 0 277.324 1.682 20 5 CDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000423948193 246245637 /nfs/dbraw/zinc/24/56/37/246245637.db2.gz FLOGHWHIZJTTRM-GFCCVEGCSA-N 1 0 295.339 1.463 20 5 CDBDRO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000356889675 374535314 /nfs/dbraw/zinc/53/53/14/374535314.db2.gz BSOZWMITINMDTR-UHFFFAOYSA-N 1 0 277.324 1.761 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000424035544 246300978 /nfs/dbraw/zinc/30/09/78/246300978.db2.gz SIEITUMYISQNRN-UHFFFAOYSA-N 1 0 293.367 1.940 20 5 CDBDRO COCC(C)(C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000429242629 374575357 /nfs/dbraw/zinc/57/53/57/374575357.db2.gz WEUMVEDIJVPLJG-UHFFFAOYSA-N 1 0 256.306 1.148 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](C3CC3)C2)n1 ZINC000377582727 374609513 /nfs/dbraw/zinc/60/95/13/374609513.db2.gz KDKQCYWVEMVSKX-LBPRGKRZSA-N 1 0 264.329 1.913 20 5 CDBDRO [NH3+]C[C@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000430552219 374650355 /nfs/dbraw/zinc/65/03/55/374650355.db2.gz JLTVTCILEHDIPM-SECBINFHSA-N 1 0 253.277 1.657 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000274496128 374676103 /nfs/dbraw/zinc/67/61/03/374676103.db2.gz QLEGOOHJJNRGFA-VWYCJHECSA-N 1 0 266.297 1.083 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000277656036 374799953 /nfs/dbraw/zinc/79/99/53/374799953.db2.gz SXSDVYVCMUDJDZ-GZMMTYOYSA-N 1 0 297.742 1.976 20 5 CDBDRO CC[C@@H](O)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000124670249 374834967 /nfs/dbraw/zinc/83/49/67/374834967.db2.gz ZVCLTTPJBSPOTL-SNVBAGLBSA-N 1 0 254.286 1.464 20 5 CDBDRO Cc1cnc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000278703387 374851608 /nfs/dbraw/zinc/85/16/08/374851608.db2.gz IOEGCBSEZMRGGR-PHIMTYICSA-N 1 0 262.313 1.296 20 5 CDBDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000279711625 374950692 /nfs/dbraw/zinc/95/06/92/374950692.db2.gz SRFCUURYSKKQSK-UHFFFAOYSA-N 1 0 284.337 1.262 20 5 CDBDRO C[C@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000347251293 374998565 /nfs/dbraw/zinc/99/85/65/374998565.db2.gz ANEBKOFUBPPZME-MRVPVSSYSA-N 1 0 284.291 1.806 20 5 CDBDRO Cc1cc(NC(=O)N[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000350786541 375243537 /nfs/dbraw/zinc/24/35/37/375243537.db2.gz MWWDCKJHDHGUJM-SNVBAGLBSA-N 1 0 280.328 1.975 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C[NH3+])C[C@H]1C ZINC000131654384 375305709 /nfs/dbraw/zinc/30/57/09/375305709.db2.gz NHQXYUCBJCTJLI-GHMZBOCLSA-N 1 0 279.340 1.773 20 5 CDBDRO CCC[NH+](CCC)CCCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000132703532 375573542 /nfs/dbraw/zinc/57/35/42/375573542.db2.gz TTXUSGBCXOYPJZ-UHFFFAOYSA-N 1 0 297.359 1.560 20 5 CDBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000353354278 375599778 /nfs/dbraw/zinc/59/97/78/375599778.db2.gz QRPYXFHCQIVYAO-UHFFFAOYSA-N 1 0 294.355 1.871 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000426473248 247030155 /nfs/dbraw/zinc/03/01/55/247030155.db2.gz DOFNAKXWZPNTMO-UHTWSYAYSA-N 1 0 280.328 1.027 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C1CC[NH2+]CC1 ZINC000353446307 375609644 /nfs/dbraw/zinc/60/96/44/375609644.db2.gz XXYRSJLTCWXQCA-UHFFFAOYSA-N 1 0 293.323 1.219 20 5 CDBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000269849040 375807837 /nfs/dbraw/zinc/80/78/37/375807837.db2.gz SXXJKIDZIMJBDQ-WDEREUQCSA-N 1 0 268.317 1.027 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@](C)(CO)C1CCCCC1 ZINC000355335760 375790643 /nfs/dbraw/zinc/79/06/43/375790643.db2.gz OTBAHMSDSRBHKG-CQSZACIVSA-N 1 0 296.371 1.749 20 5 CDBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCC(=O)NC2)cccc1[N+](=O)[O-] ZINC000358132846 375952234 /nfs/dbraw/zinc/95/22/34/375952234.db2.gz OWPYFGKBHSKAEB-MNOVXSKESA-N 1 0 277.324 1.832 20 5 CDBDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000219070052 375944747 /nfs/dbraw/zinc/94/47/47/375944747.db2.gz HQLMGGWYMUQMKO-SKDRFNHKSA-N 1 0 270.354 1.797 20 5 CDBDRO C[C@@H](O)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000249005407 376117912 /nfs/dbraw/zinc/11/79/12/376117912.db2.gz ZJRBNPCTAYTSRZ-VXGBXAGGSA-N 1 0 298.339 1.037 20 5 CDBDRO O=C(C[C@H]1CCC[NH2+]1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000429727074 247519229 /nfs/dbraw/zinc/51/92/29/247519229.db2.gz RZYLRLXJKZVWKM-GFCCVEGCSA-N 1 0 292.339 1.265 20 5 CDBDRO CC(=O)c1ccc(N2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000008178080 376434298 /nfs/dbraw/zinc/43/42/98/376434298.db2.gz AYMHHUFRTAXLAN-UHFFFAOYSA-N 1 0 277.324 1.939 20 5 CDBDRO O=C1CCC[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])N1 ZINC000433194110 248007783 /nfs/dbraw/zinc/00/77/83/248007783.db2.gz UTHHAVWRUXQISJ-NSHDSACASA-N 1 0 263.297 1.353 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435229262 248158230 /nfs/dbraw/zinc/15/82/30/248158230.db2.gz GAYHAFYKMLKIKO-JTQLQIEISA-N 1 0 281.337 1.623 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000357372795 377117594 /nfs/dbraw/zinc/11/75/94/377117594.db2.gz JQWQEPSUYBBXSK-NSHDSACASA-N 1 0 292.339 1.642 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000189308847 377228293 /nfs/dbraw/zinc/22/82/93/377228293.db2.gz GRTMQLSPUCIEPD-JOYOIKCWSA-N 1 0 263.297 1.465 20 5 CDBDRO Cc1cnccc1CCNc1c([N+](=O)[O-])ncn1C ZINC000270006779 377836325 /nfs/dbraw/zinc/83/63/25/377836325.db2.gz SPKCMPKVEIXPAZ-UHFFFAOYSA-N 1 0 261.285 1.686 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000289474813 197364797 /nfs/dbraw/zinc/36/47/97/197364797.db2.gz BFDCLBIGVOVEGG-ZIAGYGMSSA-N 1 0 291.351 1.642 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NCC1CC[NH+](C2CC2)CC1 ZINC000444868981 250197195 /nfs/dbraw/zinc/19/71/95/250197195.db2.gz HZNAZTJXDGLOEJ-UHFFFAOYSA-N 1 0 279.344 1.615 20 5 CDBDRO CC[C@]1(C)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000344205835 379255159 /nfs/dbraw/zinc/25/51/59/379255159.db2.gz AOWHFGQCLTXPBD-GFCCVEGCSA-N 1 0 252.318 1.913 20 5 CDBDRO CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C1(C[NH3+])CCC1 ZINC000449681810 250967948 /nfs/dbraw/zinc/96/79/48/250967948.db2.gz WOORITUIAUJBSE-UHFFFAOYSA-N 1 0 291.351 1.867 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000450593534 251356100 /nfs/dbraw/zinc/35/61/00/251356100.db2.gz IWGNJDBJYOKNTD-CQSZACIVSA-N 1 0 279.340 1.854 20 5 CDBDRO Cc1cc(OCC(=O)N2CC([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000280924429 195029846 /nfs/dbraw/zinc/02/98/46/195029846.db2.gz XSFNDPNGNFSFOW-UHFFFAOYSA-N 1 0 293.323 1.054 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CO)CCSCC2)cc1 ZINC000459732227 285114179 /nfs/dbraw/zinc/11/41/79/285114179.db2.gz RNHBZBIVEWURMM-UHFFFAOYSA-N 1 0 282.365 1.943 20 5 CDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000288425998 197074357 /nfs/dbraw/zinc/07/43/57/197074357.db2.gz OALKQGLKFLHEKV-ZJUUUORDSA-N 1 0 293.327 1.017 20 5 CDBDRO CC[N@@H+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000286208327 390193099 /nfs/dbraw/zinc/19/30/99/390193099.db2.gz CFIBSUMZAGXYKV-SNVBAGLBSA-N 1 0 292.339 1.224 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cn2)C1 ZINC000450951437 390581864 /nfs/dbraw/zinc/58/18/64/390581864.db2.gz PQGHJLQEGUDEAS-LBPRGKRZSA-N 1 0 264.329 1.909 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000320812443 390533212 /nfs/dbraw/zinc/53/32/12/390533212.db2.gz IKOKCYSNZKIMJF-IUCAKERBSA-N 1 0 266.301 1.842 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000289798038 390936448 /nfs/dbraw/zinc/93/64/48/390936448.db2.gz YZGPCEOIGWLBFQ-QWHCGFSZSA-N 1 0 291.351 1.941 20 5 CDBDRO Cn1c(C(=O)NCC[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000458180997 391104136 /nfs/dbraw/zinc/10/41/36/391104136.db2.gz ZDVAVZRCKCGOSH-LLVKDONJSA-N 1 0 294.355 1.395 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCO[C@@H]1C ZINC000120992143 391110501 /nfs/dbraw/zinc/11/05/01/391110501.db2.gz IYDKJMVGCWOILK-SKDRFNHKSA-N 1 0 266.297 1.870 20 5 CDBDRO CCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000517582916 391183588 /nfs/dbraw/zinc/18/35/88/391183588.db2.gz CBNSFTBQKPLMAD-GFCCVEGCSA-N 1 0 270.333 1.273 20 5 CDBDRO Cc1cc(NC(=O)N[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000415416594 391408422 /nfs/dbraw/zinc/40/84/22/391408422.db2.gz KTXHEXNZNBQCLM-NSHDSACASA-N 1 0 278.312 1.777 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415377392 391376627 /nfs/dbraw/zinc/37/66/27/391376627.db2.gz AQALFSBOVZYJJS-NXEZZACHSA-N 1 0 293.327 1.051 20 5 CDBDRO Cc1cc(C(=O)N2CCC[N@@H+](C)CC2)cc([N+](=O)[O-])c1 ZINC000121841936 391463920 /nfs/dbraw/zinc/46/39/20/391463920.db2.gz OCXKHHZQYXCZAZ-UHFFFAOYSA-N 1 0 277.324 1.681 20 5 CDBDRO C[NH2+]CCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000415504220 391467559 /nfs/dbraw/zinc/46/75/59/391467559.db2.gz PDRCGPURIKPDJQ-UHFFFAOYSA-N 1 0 266.301 1.586 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415636790 391470262 /nfs/dbraw/zinc/47/02/62/391470262.db2.gz YPARWSAFDJMHQT-LLVKDONJSA-N 1 0 296.302 1.996 20 5 CDBDRO O=[N+]([O-])c1cccc(-c2ncn(CC[C@H]3CC[NH2+]C3)n2)c1 ZINC000396657415 391582101 /nfs/dbraw/zinc/58/21/01/391582101.db2.gz QYOPBSRTNRWYQD-LLVKDONJSA-N 1 0 287.323 1.853 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000192598370 391711702 /nfs/dbraw/zinc/71/17/02/391711702.db2.gz GJEHNYRUMNTCJJ-GFCCVEGCSA-N 1 0 295.387 1.898 20 5 CDBDRO CC[C@@]1(CO)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000189611728 130001081 /nfs/dbraw/zinc/00/10/81/130001081.db2.gz RUCLQXCNFJUCTJ-LBPRGKRZSA-N 1 0 268.317 1.028 20 5 CDBDRO CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304386797 130101415 /nfs/dbraw/zinc/10/14/15/130101415.db2.gz LLTBWCGTLSXBCJ-DGCLKSJQSA-N 1 0 282.344 1.417 20 5 CDBDRO C[C@@H](O)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000190829309 130151575 /nfs/dbraw/zinc/15/15/75/130151575.db2.gz IGXFVMYHOGTDQG-NWDGAFQWSA-N 1 0 298.339 1.037 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H](O)[C@H]1C ZINC000590762163 391921841 /nfs/dbraw/zinc/92/18/41/391921841.db2.gz KKRCQKWHSJZMGS-ZWNOBZJWSA-N 1 0 293.323 1.297 20 5 CDBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])o2)CCCCC1 ZINC000237839924 391983398 /nfs/dbraw/zinc/98/33/98/391983398.db2.gz QPXGQZLWUJEXAC-UHFFFAOYSA-N 1 0 267.285 1.579 20 5 CDBDRO C[C@@H](O)C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000245923230 131090203 /nfs/dbraw/zinc/09/02/03/131090203.db2.gz XCGMKDOKRYMMKW-NXEZZACHSA-N 1 0 281.312 1.234 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261584992 131154073 /nfs/dbraw/zinc/15/40/73/131154073.db2.gz ICIYHIILDOYYNY-WPRPVWTQSA-N 1 0 281.337 1.338 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000262801703 131263257 /nfs/dbraw/zinc/26/32/57/131263257.db2.gz FEKBVBDGZLQBPV-WCBMZHEXSA-N 1 0 278.312 1.047 20 5 CDBDRO Cc1ccc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000262830096 131265497 /nfs/dbraw/zinc/26/54/97/131265497.db2.gz QGUBIDHJPDVHEI-PWSUYJOCSA-N 1 0 277.324 1.631 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC(C)(C)C1 ZINC000459743262 392503896 /nfs/dbraw/zinc/50/38/96/392503896.db2.gz PQGACWOBDPVJHJ-UHFFFAOYSA-N 1 0 279.340 1.877 20 5 CDBDRO CC[C@@H](C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000419218010 392887885 /nfs/dbraw/zinc/88/78/85/392887885.db2.gz FKLVAWKFUWXVBY-YPMHNXCESA-N 1 0 294.355 1.901 20 5 CDBDRO C[C@H]1[C@@H](C)[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000419374697 392891137 /nfs/dbraw/zinc/89/11/37/392891137.db2.gz QKRBDWSIRWMPTA-UZWSLXQKSA-N 1 0 282.344 1.129 20 5 CDBDRO Cc1nc(NC[C@]2(C)CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000420234432 392910377 /nfs/dbraw/zinc/91/03/77/392910377.db2.gz XSXXLIJMDJMSRA-GFCCVEGCSA-N 1 0 265.317 1.495 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](CCO)CC2)n1 ZINC000421026258 392927870 /nfs/dbraw/zinc/92/78/70/392927870.db2.gz ZXQOPLXTYHAZTE-LBPRGKRZSA-N 1 0 282.344 1.276 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)CC ZINC000422086128 392952113 /nfs/dbraw/zinc/95/21/13/392952113.db2.gz NVEOVMFMEWDDKO-GFCCVEGCSA-N 1 0 268.313 1.854 20 5 CDBDRO CCOc1ccc([C@@H](C)N[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000423379349 392962819 /nfs/dbraw/zinc/96/28/19/392962819.db2.gz XFVWFOCBJAGAKC-VHSXEESVSA-N 1 0 267.329 1.991 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CNCCO1 ZINC000423556165 392964644 /nfs/dbraw/zinc/96/46/44/392964644.db2.gz HWBGLODFTJIWCO-WCQYABFASA-N 1 0 279.340 1.104 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423689136 392966895 /nfs/dbraw/zinc/96/68/95/392966895.db2.gz BZJJWBCVWGLXOD-ZJUUUORDSA-N 1 0 292.339 1.424 20 5 CDBDRO C[C@@H]1CC[C@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000429570788 393083506 /nfs/dbraw/zinc/08/35/06/393083506.db2.gz VRTOFUULGWNKFG-MNOVXSKESA-N 1 0 252.318 1.912 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(CO)CCCC1 ZINC000430200031 393091245 /nfs/dbraw/zinc/09/12/45/393091245.db2.gz DXPBTCRMWQEATR-UHFFFAOYSA-N 1 0 280.324 1.998 20 5 CDBDRO Cc1n[nH]c(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c1[N+](=O)[O-] ZINC000430643463 393102744 /nfs/dbraw/zinc/10/27/44/393102744.db2.gz LWZIIZIBXZUIGL-VIFPVBQESA-N 1 0 295.343 1.134 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2CCO)cc1 ZINC000426269965 393039844 /nfs/dbraw/zinc/03/98/44/393039844.db2.gz HAINHUDWBSZUEH-GFCCVEGCSA-N 1 0 280.324 1.820 20 5 CDBDRO O=[N+]([O-])c1ccc2oc(CN3CCC[NH2+]CC3)nc2c1 ZINC000430668024 393105302 /nfs/dbraw/zinc/10/53/02/393105302.db2.gz QWTYZULEVSTOCE-UHFFFAOYSA-N 1 0 276.296 1.531 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](C[NH3+])C1 ZINC000430924458 393105376 /nfs/dbraw/zinc/10/53/76/393105376.db2.gz IGEYVPIYBXSXFY-LLVKDONJSA-N 1 0 292.339 1.122 20 5 CDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)C(C)(C)C[NH+](C)C ZINC000530773956 393055314 /nfs/dbraw/zinc/05/53/14/393055314.db2.gz PIJSAENAYZKIHU-SNVBAGLBSA-N 1 0 296.371 1.639 20 5 CDBDRO C[C@@H]1C[NH+](CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)S1 ZINC000531143307 393057274 /nfs/dbraw/zinc/05/72/74/393057274.db2.gz QKWUNVYKFQKHHF-NXEZZACHSA-N 1 0 270.358 1.617 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000275784113 393115434 /nfs/dbraw/zinc/11/54/34/393115434.db2.gz ILAULRADVCRISK-GFCCVEGCSA-N 1 0 279.340 1.406 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000276382121 393118514 /nfs/dbraw/zinc/11/85/14/393118514.db2.gz PUZKADWDSALCLT-SNVBAGLBSA-N 1 0 289.291 1.904 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCCNC1=O ZINC000449073902 393129483 /nfs/dbraw/zinc/12/94/83/393129483.db2.gz JOJCDANUILZEQH-AAEUAGOBSA-N 1 0 291.351 1.784 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000449584952 393135582 /nfs/dbraw/zinc/13/55/82/393135582.db2.gz DYMQRLRAJHQCQZ-NXEZZACHSA-N 1 0 279.340 1.724 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000449596564 393135930 /nfs/dbraw/zinc/13/59/30/393135930.db2.gz XSIDUOXCSJAPSB-HTQZYQBOSA-N 1 0 267.285 1.069 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000449710623 393138975 /nfs/dbraw/zinc/13/89/75/393138975.db2.gz BGJCDGOXMLYQGZ-MNOVXSKESA-N 1 0 293.323 1.217 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351943448 393207486 /nfs/dbraw/zinc/20/74/86/393207486.db2.gz GEPWLQBVVBACJQ-GIPNMCIBSA-N 1 0 250.298 1.968 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000193545722 393374067 /nfs/dbraw/zinc/37/40/67/393374067.db2.gz QILKTRYBSWIQNW-GHMZBOCLSA-N 1 0 293.323 1.230 20 5 CDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1ccccc1[N+](=O)[O-] ZINC000275837778 135114062 /nfs/dbraw/zinc/11/40/62/135114062.db2.gz PHUYTINHLRJDBY-GFCCVEGCSA-N 1 0 293.367 1.876 20 5 CDBDRO Cc1cc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000159835651 139906500 /nfs/dbraw/zinc/90/65/00/139906500.db2.gz GLCLXZBCGRAERN-ZDUSSCGKSA-N 1 0 277.324 1.713 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000163656020 139920409 /nfs/dbraw/zinc/92/04/09/139920409.db2.gz MEWSYJZQZRBCFA-GWCFXTLKSA-N 1 0 291.351 1.960 20 5 CDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[C@H]1CCC[NH2+]1 ZINC000166789071 139929917 /nfs/dbraw/zinc/92/99/17/139929917.db2.gz RFCWJOFZDNVCDQ-SNVBAGLBSA-N 1 0 299.352 1.015 20 5 CDBDRO Cc1nc(N2C[C@H](C[NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000216235135 140162220 /nfs/dbraw/zinc/16/22/20/140162220.db2.gz VZVYWZLMCKFJSK-WPRPVWTQSA-N 1 0 250.302 1.472 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000226774513 140180636 /nfs/dbraw/zinc/18/06/36/140180636.db2.gz CLCMCCQDIYMERV-RKDXNWHRSA-N 1 0 284.341 1.326 20 5 CDBDRO COc1cc(N[C@@H]2CCC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000227860205 140187838 /nfs/dbraw/zinc/18/78/38/140187838.db2.gz LBPKLXDSBMBWEK-MRVPVSSYSA-N 1 0 269.276 1.906 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])CCC1 ZINC000230067208 140207166 /nfs/dbraw/zinc/20/71/66/140207166.db2.gz GUHUMUYKVKHGOT-UHFFFAOYSA-N 1 0 263.297 1.514 20 5 CDBDRO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000237068480 140250815 /nfs/dbraw/zinc/25/08/15/140250815.db2.gz CLNLDRTZQCUDJF-GXFFZTMASA-N 1 0 294.355 1.496 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H](C[NH3+])C1 ZINC000261670010 140373099 /nfs/dbraw/zinc/37/30/99/140373099.db2.gz ZZAPVFOMBLNNOF-SNVBAGLBSA-N 1 0 267.333 1.295 20 5 CDBDRO COc1ccc(C(=O)N2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261681236 140374462 /nfs/dbraw/zinc/37/44/62/140374462.db2.gz MMSJKAGWLSTUCQ-CQSZACIVSA-N 1 0 293.323 1.414 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261707769 140379311 /nfs/dbraw/zinc/37/93/11/140379311.db2.gz OYDYZTNRPXDQMA-WCQYABFASA-N 1 0 291.351 1.645 20 5 CDBDRO COCC1(CNc2c([N+](=O)[O-])c(C)nn2C)CC[NH2+]CC1 ZINC000261734964 140382836 /nfs/dbraw/zinc/38/28/36/140382836.db2.gz RPQAOLIIQJYHIH-UHFFFAOYSA-N 1 0 297.359 1.065 20 5 CDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261782431 140389046 /nfs/dbraw/zinc/38/90/46/140389046.db2.gz WYXSAGNZZWUISM-GXSJLCMTSA-N 1 0 293.298 1.415 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261799119 140390442 /nfs/dbraw/zinc/39/04/42/140390442.db2.gz YNYLRVLOOKIGBX-OAHLLOKOSA-N 1 0 291.351 1.789 20 5 CDBDRO COC[C@@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000261848941 140398053 /nfs/dbraw/zinc/39/80/53/140398053.db2.gz WNFFFGYKOZZQRE-CYBMUJFWSA-N 1 0 279.296 1.159 20 5 CDBDRO CC[N@H+](CCC1CC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000355038559 413116190 /nfs/dbraw/zinc/11/61/90/413116190.db2.gz RDIMDVYXKNKZKQ-ZDUSSCGKSA-N 1 0 282.344 1.274 20 5 CDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@]12C[C@H]1CC[NH2+]2 ZINC000423227091 397602882 /nfs/dbraw/zinc/60/28/82/397602882.db2.gz ULGHBLHFNPISBH-RISCZKNCSA-N 1 0 275.308 1.006 20 5 CDBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2ncc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000488759075 398133951 /nfs/dbraw/zinc/13/39/51/398133951.db2.gz KBPUEAUDWHSBTN-LOWVWBTDSA-N 1 0 291.355 1.551 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000104189407 147186800 /nfs/dbraw/zinc/18/68/00/147186800.db2.gz FDRZLXRPCSSGFZ-JTQLQIEISA-N 1 0 293.323 1.285 20 5 CDBDRO O=C1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H]2CCCCN12 ZINC000314010465 149250619 /nfs/dbraw/zinc/25/06/19/149250619.db2.gz FFVNWECHTPNZHU-OCCSQVGLSA-N 1 0 289.335 1.838 20 5 CDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000314369465 149253247 /nfs/dbraw/zinc/25/32/47/149253247.db2.gz KHUZHOSQLIXJMT-GFCCVEGCSA-N 1 0 293.323 1.041 20 5 CDBDRO Cc1c([C@@H](C)[NH2+][C@H](C)CC(N)=O)cccc1[N+](=O)[O-] ZINC000343096194 152029640 /nfs/dbraw/zinc/02/96/40/152029640.db2.gz MDINSJGVDDXVMD-PSASIEDQSA-N 1 0 265.313 1.818 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000343455653 152186225 /nfs/dbraw/zinc/18/62/25/152186225.db2.gz USHUZRDKAWLDSJ-GXFFZTMASA-N 1 0 292.339 1.511 20 5 CDBDRO C[C@H]1[C@H](Nc2ncccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343571685 152228586 /nfs/dbraw/zinc/22/85/86/152228586.db2.gz ZXDSEHXYCOFGHG-VHSXEESVSA-N 1 0 250.302 1.884 20 5 CDBDRO Cc1nn(C)c(N[C@@H]2CCC[N@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000343596369 152238186 /nfs/dbraw/zinc/23/81/86/152238186.db2.gz HCACDTPPAHQYGB-NXEZZACHSA-N 1 0 267.333 1.531 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000346169315 153080365 /nfs/dbraw/zinc/08/03/65/153080365.db2.gz QDLYOABGADIPCL-NWDGAFQWSA-N 1 0 281.360 1.206 20 5 CDBDRO CC[NH+](CC)CCCCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000347056255 153395210 /nfs/dbraw/zinc/39/52/10/153395210.db2.gz PTYVNKJPSGELBE-UHFFFAOYSA-N 1 0 296.371 1.785 20 5 CDBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000352200965 155017864 /nfs/dbraw/zinc/01/78/64/155017864.db2.gz CKUPEXQTIBPWMB-NSHDSACASA-N 1 0 295.339 1.626 20 5 CDBDRO CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](C)O ZINC000352223989 155037469 /nfs/dbraw/zinc/03/74/69/155037469.db2.gz YTVOTTDUZNUZKI-SNVBAGLBSA-N 1 0 281.312 1.236 20 5 CDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000354004992 156218036 /nfs/dbraw/zinc/21/80/36/156218036.db2.gz DJQNNHHKLNTMAR-SECBINFHSA-N 1 0 283.353 1.823 20 5 CDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000354005438 156220524 /nfs/dbraw/zinc/22/05/24/156220524.db2.gz GOOLMBGPGSKPIL-SNVBAGLBSA-N 1 0 280.328 1.100 20 5 CDBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354072576 156252963 /nfs/dbraw/zinc/25/29/63/156252963.db2.gz JGXRNVHQKMWROJ-HQJQHLMTSA-N 1 0 291.311 1.205 20 5 CDBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000354157187 156294575 /nfs/dbraw/zinc/29/45/75/156294575.db2.gz GTYDVDFTELJNMR-UHFFFAOYSA-N 1 0 280.328 1.479 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000363631784 159336117 /nfs/dbraw/zinc/33/61/17/159336117.db2.gz RNPBSECOATTXEH-LLVKDONJSA-N 1 0 295.364 1.967 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC3CCC2CC3)c1 ZINC000371387922 160004172 /nfs/dbraw/zinc/00/41/72/160004172.db2.gz KWRVWDPJNCFOMC-UHFFFAOYSA-N 1 0 250.302 1.666 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000371475669 160014576 /nfs/dbraw/zinc/01/45/76/160014576.db2.gz LHEQQTNFLVXQAE-LBPRGKRZSA-N 1 0 262.313 1.664 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000038049166 174060068 /nfs/dbraw/zinc/06/00/68/174060068.db2.gz MIEMYKRPDSUGGL-CHWSQXEVSA-N 1 0 277.324 1.523 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000044502104 175186107 /nfs/dbraw/zinc/18/61/07/175186107.db2.gz SCCIIMHNKLWVTG-SNVBAGLBSA-N 1 0 278.312 1.716 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C[NH3+])CC1 ZINC000044512842 175188405 /nfs/dbraw/zinc/18/84/05/175188405.db2.gz OSVOIROBDOIQRU-UHFFFAOYSA-N 1 0 277.324 1.714 20 5 CDBDRO [NH3+]CC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000044513097 175188793 /nfs/dbraw/zinc/18/87/93/175188793.db2.gz HJNBABNPNZITFW-UHFFFAOYSA-N 1 0 278.312 1.797 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000044528179 175193332 /nfs/dbraw/zinc/19/33/32/175193332.db2.gz QUBSNHJWEBPJBC-VIFPVBQESA-N 1 0 281.287 1.545 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000071142776 176040587 /nfs/dbraw/zinc/04/05/87/176040587.db2.gz ZUTPXSAAIFHHKC-NSHDSACASA-N 1 0 277.324 1.585 20 5 CDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CC[NH2+]C1 ZINC000071312656 176119236 /nfs/dbraw/zinc/11/92/36/176119236.db2.gz DVHIGKPQPRNWCQ-MRVPVSSYSA-N 1 0 253.258 1.012 20 5 CDBDRO CCCN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CC[NH2+]C1 ZINC000071315479 176121641 /nfs/dbraw/zinc/12/16/41/176121641.db2.gz YLVDUZGBILJQFA-JTQLQIEISA-N 1 0 280.328 1.147 20 5 CDBDRO CCn1cncc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000518940563 265237203 /nfs/dbraw/zinc/23/72/03/265237203.db2.gz XLCUNEBWFQPHBX-UHFFFAOYSA-N 1 0 290.323 1.980 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000397186143 270347224 /nfs/dbraw/zinc/34/72/24/270347224.db2.gz LZRJHDLDWWIACW-UHFFFAOYSA-N 1 0 251.286 1.452 20 5 CDBDRO COC[C@@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])OC ZINC000227704636 274042612 /nfs/dbraw/zinc/04/26/12/274042612.db2.gz ZYWCXIJBCBNONV-LLVKDONJSA-N 1 0 288.731 1.999 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417237457 274209101 /nfs/dbraw/zinc/20/91/01/274209101.db2.gz WPUVZOYUFKGIRK-JTQLQIEISA-N 1 0 280.328 1.174 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000089091034 274949231 /nfs/dbraw/zinc/94/92/31/274949231.db2.gz WXJFAKWUVHCXQT-YUMQZZPRSA-N 1 0 269.326 1.514 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CNCCO1)CCC2 ZINC000423543179 275038489 /nfs/dbraw/zinc/03/84/89/275038489.db2.gz BOIFUCFWTUPEJA-UKRRQHHQSA-N 1 0 291.351 1.550 20 5 CDBDRO CC1(C)CN(c2ncnc3cccc([N+](=O)[O-])c32)CC[NH2+]1 ZINC000420264327 275852248 /nfs/dbraw/zinc/85/22/48/275852248.db2.gz ARYSXJJLOLYLHQ-UHFFFAOYSA-N 1 0 287.323 1.726 20 5 CDBDRO CN(c1ccc2cc([N+](=O)[O-])ccc2n1)C1C[NH2+]C1 ZINC000090290581 277002931 /nfs/dbraw/zinc/00/29/31/277002931.db2.gz UXPJAIIREJCJKD-UHFFFAOYSA-N 1 0 258.281 1.551 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000133275001 277033210 /nfs/dbraw/zinc/03/32/10/277033210.db2.gz AUNRLRDBZNEROX-MRVPVSSYSA-N 1 0 281.341 1.492 20 5 CDBDRO COC[C@@]1(CO)CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000451924149 277256692 /nfs/dbraw/zinc/25/66/92/277256692.db2.gz IGUIILSKDAPSHA-WFASDCNBSA-N 1 0 294.351 1.987 20 5 CDBDRO C[NH2+]CCCN(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000420390386 277267294 /nfs/dbraw/zinc/26/72/94/277267294.db2.gz QPMYDLZTHJVWIZ-UHFFFAOYSA-N 1 0 255.293 1.775 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CCC(=O)NC1)c1ccc([N+](=O)[O-])cc1 ZINC000111015472 278367952 /nfs/dbraw/zinc/36/79/52/278367952.db2.gz IEWKTEFDDQFKSC-MWLCHTKSSA-N 1 0 263.297 1.524 20 5 CDBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000344615445 278859760 /nfs/dbraw/zinc/85/97/60/278859760.db2.gz ICFHMFCVPYQLOA-UHFFFAOYSA-N 1 0 282.344 1.583 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000070176863 279665153 /nfs/dbraw/zinc/66/51/53/279665153.db2.gz KXJBZVIPJJDJPM-GXFFZTMASA-N 1 0 277.324 1.794 20 5 CDBDRO CC(C)[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000269323210 279787545 /nfs/dbraw/zinc/78/75/45/279787545.db2.gz MENHFMHGRZDOMJ-AWEZNQCLSA-N 1 0 293.367 1.840 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000237712754 280185575 /nfs/dbraw/zinc/18/55/75/280185575.db2.gz DUNXWAHVRFDLDO-TVQRCGJNSA-N 1 0 292.339 1.498 20 5 CDBDRO C[C@H](CO)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000248956605 280397703 /nfs/dbraw/zinc/39/77/03/280397703.db2.gz QHFLATCZJHHCQY-NEPJUHHUSA-N 1 0 282.340 1.201 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\CNC1[C@H]2C[NH2+]C[C@@H]12 ZINC000415045663 280739653 /nfs/dbraw/zinc/73/96/53/280739653.db2.gz WMKRCZVEHOCRDN-LPHYITNZSA-N 1 0 259.309 1.415 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](CC[NH3+])C2)n1 ZINC000162864193 281011034 /nfs/dbraw/zinc/01/10/34/281011034.db2.gz RILUDFKWUSRQMR-NSHDSACASA-N 1 0 264.329 1.863 20 5 CDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000525021067 281115034 /nfs/dbraw/zinc/11/50/34/281115034.db2.gz NKKJUPNKUXVSGY-PWSUYJOCSA-N 1 0 294.355 1.346 20 5 CDBDRO Cc1cccc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1[N+](=O)[O-] ZINC000248641132 281192301 /nfs/dbraw/zinc/19/23/01/281192301.db2.gz RIBHZNQWPBFSBY-WCFLWFBJSA-N 1 0 289.335 1.713 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N1CCC([NH2+]CCO)CC1 ZINC000291041167 281259221 /nfs/dbraw/zinc/25/92/21/281259221.db2.gz ZYMMHSUINGIJIU-UHFFFAOYSA-N 1 0 279.340 1.454 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000254886467 289345372 /nfs/dbraw/zinc/34/53/72/289345372.db2.gz UVXZOGULBXHLCZ-TWGQIWQCSA-N 1 0 277.324 1.628 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](CO)C2CCCCC2)c1 ZINC000541054687 289482153 /nfs/dbraw/zinc/48/21/53/289482153.db2.gz NADYMXXMKUVKPN-ZDUSSCGKSA-N 1 0 282.344 1.322 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299925271 292925734 /nfs/dbraw/zinc/92/57/34/292925734.db2.gz ZDQLNNHECUDKDX-SMDDNHRTSA-N 1 0 291.351 1.787 20 5 CDBDRO CO[C@]1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCOC1 ZINC000573814180 294893139 /nfs/dbraw/zinc/89/31/39/294893139.db2.gz CAYRJPZKSOFJAQ-HIFRSBDPSA-N 1 0 292.335 1.977 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135238810 295256909 /nfs/dbraw/zinc/25/69/09/295256909.db2.gz OKQLRJQIATVVRD-GZMMTYOYSA-N 1 0 281.287 1.591 20 5 CDBDRO COCC[C@@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000569715471 316835577 /nfs/dbraw/zinc/83/55/77/316835577.db2.gz LAKLACANGJTFQO-DGCLKSJQSA-N 1 0 298.339 1.349 20 5 CDBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCO1 ZINC000182296076 323272842 /nfs/dbraw/zinc/27/28/42/323272842.db2.gz SKBSNMYKPRNJLS-NWDGAFQWSA-N 1 0 268.317 1.339 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]CC2=CCCOC2)cc1 ZINC000379766146 323606348 /nfs/dbraw/zinc/60/63/48/323606348.db2.gz JDBRXWKONJASKO-UHFFFAOYSA-N 1 0 278.308 1.910 20 5 CDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385849763 323722740 /nfs/dbraw/zinc/72/27/40/323722740.db2.gz PQGDFVMHNAWDTN-PELKAZGASA-N 1 0 279.271 1.168 20 5 CDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000396723272 323856332 /nfs/dbraw/zinc/85/63/32/323856332.db2.gz WMYJJNQXFJMIKW-JTQLQIEISA-N 1 0 284.337 1.368 20 5 CDBDRO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000580143461 324377235 /nfs/dbraw/zinc/37/72/35/324377235.db2.gz XIKYARVMXARTEY-NEPJUHHUSA-N 1 0 291.351 1.766 20 5 CDBDRO CC[C@@H](CO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582073182 324898759 /nfs/dbraw/zinc/89/87/59/324898759.db2.gz VYIDZPXRFZGAKB-CABZTGNLSA-N 1 0 250.298 1.943 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCC(F)(F)F)c1 ZINC000130573061 1159621843 /nfs/dbraw/zinc/62/18/43/1159621843.db2.gz BFZXDNRSQGXBNY-VIFPVBQESA-N 1 0 296.249 1.084 20 5 CDBDRO Cc1nc(Cl)nc(O[C@@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000302677401 1159846776 /nfs/dbraw/zinc/84/67/76/1159846776.db2.gz OGADIRAVIYHIMG-SSDOTTSWSA-N 1 0 272.692 1.430 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC3(C2)CCC[NH2+]C3)c(Cl)c1 ZINC000709827956 1159905232 /nfs/dbraw/zinc/90/52/32/1159905232.db2.gz LYYUUCWELVDPGS-UHFFFAOYSA-N 1 0 282.731 1.833 20 5 CDBDRO CCOc1cc([N+](=O)[O-])ccc1NCC[NH+](C)C ZINC001161669059 1160142395 /nfs/dbraw/zinc/14/23/95/1160142395.db2.gz XLTCZNDDXACYDV-UHFFFAOYSA-N 1 0 253.302 1.967 20 5 CDBDRO C[C@@H]1CCC[C@H](C)[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304316610 533825414 /nfs/dbraw/zinc/82/54/14/533825414.db2.gz OQNVLSUAKNMOFG-MBNYWOFBSA-N 1 0 296.371 1.663 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cncn2CC2CC2)C1 ZINC001168998698 1161996667 /nfs/dbraw/zinc/99/66/67/1161996667.db2.gz QBAOVOOPVZGXKS-OLZOCXBDSA-N 1 0 278.356 1.828 20 5 CDBDRO CC(C)(CCC[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000313134763 519207785 /nfs/dbraw/zinc/20/77/85/519207785.db2.gz FAJJZSRYOOPVOF-UHFFFAOYSA-N 1 0 279.340 1.771 20 5 CDBDRO CC[N@H+](C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000049337632 520232341 /nfs/dbraw/zinc/23/23/41/520232341.db2.gz WXBAIAGZMHWLDL-UHFFFAOYSA-N 1 0 266.301 1.668 20 5 CDBDRO CCOc1cc(NC[C@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC000157404962 520762652 /nfs/dbraw/zinc/76/26/52/520762652.db2.gz GKQBFSOWKLPPTP-LLVKDONJSA-N 1 0 281.312 1.394 20 5 CDBDRO CC[C@@]1(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000062895346 523690316 /nfs/dbraw/zinc/69/03/16/523690316.db2.gz SDJBEZXINOJOEI-OAHLLOKOSA-N 1 0 291.351 1.943 20 5 CDBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000068806800 523889581 /nfs/dbraw/zinc/88/95/81/523889581.db2.gz CEBZKFZSHBWEFT-LLVKDONJSA-N 1 0 282.319 1.392 20 5 CDBDRO C[C@H]1CC[C@@H](C[NH3+])CN1c1cc([N+](=O)[O-])ccn1 ZINC000070183278 524351742 /nfs/dbraw/zinc/35/17/42/524351742.db2.gz QLZJFQLSJNIMKL-UWVGGRQHSA-N 1 0 250.302 1.553 20 5 CDBDRO Cc1c(C[NH2+][C@H]2CCCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000069144233 525729523 /nfs/dbraw/zinc/72/95/23/525729523.db2.gz UVIPSUJVBHUGPI-LBPRGKRZSA-N 1 0 298.364 1.570 20 5 CDBDRO C[C@@]1(c2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[NH2+]C1 ZINC000062917600 525908061 /nfs/dbraw/zinc/90/80/61/525908061.db2.gz OIMQCEVZSCFEDA-CYBMUJFWSA-N 1 0 274.280 1.896 20 5 CDBDRO Cc1cnc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)s1 ZINC000184993514 526156206 /nfs/dbraw/zinc/15/62/06/526156206.db2.gz JWRRGUJWGZRHAK-VIFPVBQESA-N 1 0 281.341 1.907 20 5 CDBDRO O=C(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])NC1CC1 ZINC000338714115 526876426 /nfs/dbraw/zinc/87/64/26/526876426.db2.gz QOFNTZAAZUSCFK-HYXAFXHYSA-N 1 0 275.308 1.476 20 5 CDBDRO CC[N@H+](CCOC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273044427 528562679 /nfs/dbraw/zinc/56/26/79/528562679.db2.gz PQPXWRTZECZTTF-LBPRGKRZSA-N 1 0 298.339 1.303 20 5 CDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)C[NH3+] ZINC000262202156 535094373 /nfs/dbraw/zinc/09/43/73/535094373.db2.gz NFAYZJPNZLHUJR-LLVKDONJSA-N 1 0 279.340 1.927 20 5 CDBDRO CC(C)(O)C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000189900291 535299680 /nfs/dbraw/zinc/29/96/80/535299680.db2.gz HPVMEQPMCGSDAT-CQSZACIVSA-N 1 0 294.351 1.864 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@](C)(C[NH3+])C1 ZINC000261596505 535968556 /nfs/dbraw/zinc/96/85/56/535968556.db2.gz ORCXFYCEUCJINN-LBPRGKRZSA-N 1 0 267.333 1.295 20 5 CDBDRO COC[C@]1(CNc2ccc([N+](=O)[O-])cc2F)CCC[NH2+]1 ZINC000261681842 536687403 /nfs/dbraw/zinc/68/74/03/536687403.db2.gz GYIOVPKGZSGPDP-CYBMUJFWSA-N 1 0 283.303 1.914 20 5 CDBDRO COc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000262846645 536760531 /nfs/dbraw/zinc/76/05/31/536760531.db2.gz RUHXSXRLBQAOML-MWLCHTKSSA-N 1 0 293.323 1.331 20 5 CDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CCC[NH2+]C1 ZINC000104334124 1174693560 /nfs/dbraw/zinc/69/35/60/1174693560.db2.gz FSZQJOBEUPICMA-SECBINFHSA-N 1 0 267.285 1.402 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2(O)CCC2)cc1 ZINC000124426538 1175330594 /nfs/dbraw/zinc/33/05/94/1175330594.db2.gz AAQGRDBVQZVTQR-LBPRGKRZSA-N 1 0 266.297 1.133 20 5 CDBDRO COCCCC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892588634 617522172 /nfs/dbraw/zinc/52/21/72/617522172.db2.gz IFKNADZOGWZOST-UHFFFAOYSA-N 1 0 284.312 1.825 20 5 CDBDRO Cc1c(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cccc1[N+](=O)[O-] ZINC000782623595 617528155 /nfs/dbraw/zinc/52/81/55/617528155.db2.gz ZGVZMWAZMXJTFK-OCCSQVGLSA-N 1 0 262.309 1.717 20 5 CDBDRO CC(C)(CCc1noc(CC[C@@H]2CCC[NH2+]2)n1)[N+](=O)[O-] ZINC000843232760 617948706 /nfs/dbraw/zinc/94/87/06/617948706.db2.gz BMZPDDYWJHGSOD-JTQLQIEISA-N 1 0 282.344 1.742 20 5 CDBDRO CC1CC[NH+](CCNc2c([N+](=O)[O-])cnn2C)CC1 ZINC000891830383 617630036 /nfs/dbraw/zinc/63/00/36/617630036.db2.gz PWGYALDGSIAWGP-UHFFFAOYSA-N 1 0 267.333 1.472 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NCC1([NH+](C)C)CCC1 ZINC000893380407 617754772 /nfs/dbraw/zinc/75/47/72/617754772.db2.gz RCSJBZDPWLMERD-UHFFFAOYSA-N 1 0 253.306 1.225 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@]2(C)CCO[C@H]2C)c1[N+](=O)[O-] ZINC000893522532 618025138 /nfs/dbraw/zinc/02/51/38/618025138.db2.gz UWHOKIUDAUEHEH-LKFCYVNXSA-N 1 0 296.323 1.966 20 5 CDBDRO CCC[N@@H+]1CCC[C@H]1CNc1c([N+](=O)[O-])cnn1C ZINC000893845465 618088285 /nfs/dbraw/zinc/08/82/85/618088285.db2.gz XQRHDAULBSOADM-JTQLQIEISA-N 1 0 267.333 1.615 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N1CC[C@@H](C[NH+](C)C)C1 ZINC000893120266 618199747 /nfs/dbraw/zinc/19/97/47/618199747.db2.gz WZRUBSHRDRROEQ-JTQLQIEISA-N 1 0 280.328 1.386 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000893938744 618200080 /nfs/dbraw/zinc/20/00/80/618200080.db2.gz FPEMOMGAONYBII-QWRGUYRKSA-N 1 0 279.344 1.260 20 5 CDBDRO C[C@@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[N@@H+](C2CC2)C1 ZINC000893999659 618241454 /nfs/dbraw/zinc/24/14/54/618241454.db2.gz JODJNWXNKVCWAR-JTQLQIEISA-N 1 0 279.344 1.249 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000843057823 618691764 /nfs/dbraw/zinc/69/17/64/618691764.db2.gz LWAQXPJMTPWPRJ-TVQRCGJNSA-N 1 0 299.758 1.796 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000894475290 618909193 /nfs/dbraw/zinc/90/91/93/618909193.db2.gz BGQPMGIVOKDXTG-JTQLQIEISA-N 1 0 281.360 1.861 20 5 CDBDRO Cc1cc(N2CCC(O)(C[NH+](C)C)CC2)c([N+](=O)[O-])s1 ZINC000894957066 619159723 /nfs/dbraw/zinc/15/97/23/619159723.db2.gz UNBZIJSQQKOXAW-UHFFFAOYSA-N 1 0 299.396 1.858 20 5 CDBDRO CON(C)C(=O)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000895042650 619219987 /nfs/dbraw/zinc/21/99/87/619219987.db2.gz JDSWKQSZQKMUND-LLVKDONJSA-N 1 0 295.339 1.525 20 5 CDBDRO COc1c(O)ccc(C[N@H+](C)[C@H](C)CCO)c1[N+](=O)[O-] ZINC000895184308 619437420 /nfs/dbraw/zinc/43/74/20/619437420.db2.gz CHOCTMOBAWMZHW-SECBINFHSA-N 1 0 284.312 1.512 20 5 CDBDRO Cc1cc(N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)ncc1[N+](=O)[O-] ZINC000895247448 619493316 /nfs/dbraw/zinc/49/33/16/619493316.db2.gz TXLNJQIPTCEPAP-YPMHNXCESA-N 1 0 293.371 1.344 20 5 CDBDRO CC1(C)CNC(=O)[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000895322781 619556449 /nfs/dbraw/zinc/55/64/49/619556449.db2.gz WTFXFXYTDGQESK-GFCCVEGCSA-N 1 0 277.324 1.252 20 5 CDBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000896650831 620182327 /nfs/dbraw/zinc/18/23/27/620182327.db2.gz NFIPEXKJBOOSTK-LLVKDONJSA-N 1 0 279.344 1.551 20 5 CDBDRO COc1ccc(C[NH2+]CC[C@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000898202641 621358816 /nfs/dbraw/zinc/35/88/16/621358816.db2.gz KIFYTXAJIACYPK-ZDUSSCGKSA-N 1 0 280.324 1.854 20 5 CDBDRO CCO[C@H]1CCN(Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000902529459 624932094 /nfs/dbraw/zinc/93/20/94/624932094.db2.gz WXXSYQFKSIWLOZ-JTQLQIEISA-N 1 0 254.290 1.168 20 5 CDBDRO CN(C)C(=O)Nc1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905246677 626702303 /nfs/dbraw/zinc/70/23/03/626702303.db2.gz FJQBYFIXLJJWTF-UHFFFAOYSA-N 1 0 266.301 1.146 20 5 CDBDRO COc1cccc([C@H]2C[C@H]([NH2+]CC[N+](=O)[O-])C2)c1 ZINC000905281080 626734856 /nfs/dbraw/zinc/73/48/56/626734856.db2.gz QCJXAGRDVYPQET-HAQNSBGRSA-N 1 0 250.298 1.808 20 5 CDBDRO Cc1cc(NCC[N+](=O)[O-])ccc1OCC[NH+](C)C ZINC000905338518 626774714 /nfs/dbraw/zinc/77/47/14/626774714.db2.gz KRCJTWGVJYTIOP-UHFFFAOYSA-N 1 0 267.329 1.624 20 5 CDBDRO O=C(NC1CC[NH2+]CC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911627834 629373089 /nfs/dbraw/zinc/37/30/89/629373089.db2.gz BHIMQZAIDITONN-ZIAGYGMSSA-N 1 0 289.335 1.567 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911674530 629405040 /nfs/dbraw/zinc/40/50/40/629405040.db2.gz TXZOQQNRNUOCND-SECBINFHSA-N 1 0 295.364 1.799 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000911851772 629590518 /nfs/dbraw/zinc/59/05/18/629590518.db2.gz JSYNNQDSTIPFKS-SNVBAGLBSA-N 1 0 295.364 1.880 20 5 CDBDRO CC[C@H](CO)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000916570804 632018422 /nfs/dbraw/zinc/01/84/22/632018422.db2.gz WAQKLZJDIVQIHH-SNVBAGLBSA-N 1 0 281.312 1.202 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000919380472 632577192 /nfs/dbraw/zinc/57/71/92/632577192.db2.gz UPIUIPZFHREIMG-LLVKDONJSA-N 1 0 296.327 1.209 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000307855334 1158708818 /nfs/dbraw/zinc/70/88/18/1158708818.db2.gz DEJQTDMPGPRFEA-NSHDSACASA-N 1 0 299.352 1.014 20 5 CDBDRO CC[C@@H](CO)[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170294423 1162327709 /nfs/dbraw/zinc/32/77/09/1162327709.db2.gz QTVMAHSANKHVDB-JQWIXIFHSA-N 1 0 282.340 1.895 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2COC[C@@H]2F)c([N+](=O)[O-])c1 ZINC001170328086 1162337811 /nfs/dbraw/zinc/33/78/11/1162337811.db2.gz UUKHPZWYGKMJNV-JIMOISOXSA-N 1 0 298.314 1.861 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]C2CC(=O)C2)c([N+](=O)[O-])c1 ZINC001170308730 1162339909 /nfs/dbraw/zinc/33/99/09/1162339909.db2.gz OFCXKAOQHGKJQS-VIFPVBQESA-N 1 0 278.308 1.856 20 5 CDBDRO COc1nc(N2CCC[C@@H]([NH3+])[C@H]2C)ccc1[N+](=O)[O-] ZINC001157731762 1162359597 /nfs/dbraw/zinc/35/95/97/1162359597.db2.gz FWSQKRXKZJGCEM-RKDXNWHRSA-N 1 0 266.301 1.314 20 5 CDBDRO Cc1c(F)cc([N+](=O)[O-])cc1NCCN(C)CC[NH3+] ZINC001170504258 1162667965 /nfs/dbraw/zinc/66/79/65/1162667965.db2.gz FEUFMWUGOYPWOQ-UHFFFAOYSA-N 1 0 270.308 1.345 20 5 CDBDRO Cc1cnc(N(CC[NH3+])c2cccnc2)c([N+](=O)[O-])c1 ZINC001158000944 1162670879 /nfs/dbraw/zinc/67/08/79/1162670879.db2.gz YGOQKTKQPUKPPA-UHFFFAOYSA-N 1 0 273.296 1.790 20 5 CDBDRO COc1cnc(N(C(C)C)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001158026061 1162686380 /nfs/dbraw/zinc/68/63/80/1162686380.db2.gz RLVNEKMCRGRBLQ-JTQLQIEISA-N 1 0 280.328 1.575 20 5 CDBDRO C[C@H](Nc1ccc2c([N+](=O)[O-])c[nH]c2n1)[C@@H]1C[NH2+]CCO1 ZINC001170565319 1162929952 /nfs/dbraw/zinc/92/99/52/1162929952.db2.gz UVZQJDBXVBRIBE-KWQFWETISA-N 1 0 291.311 1.260 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1ncc([N+](=O)[O-])cc1F ZINC001156039117 1161984473 /nfs/dbraw/zinc/98/44/73/1161984473.db2.gz NBNRKPAATNLJEA-UHFFFAOYSA-N 1 0 251.221 1.082 20 5 CDBDRO [NH3+][C@H]1CCc2nn(-c3cnc(F)c([N+](=O)[O-])c3)cc2C1 ZINC001168821943 1161988913 /nfs/dbraw/zinc/98/89/13/1161988913.db2.gz UFSQLXOAEFIIEZ-QMMMGPOBSA-N 1 0 277.259 1.131 20 5 CDBDRO Nc1cc(N2C[C@H]([NH3+])Cc3ccccc32)ncc1[N+](=O)[O-] ZINC001155300093 1167120484 /nfs/dbraw/zinc/12/04/84/1167120484.db2.gz SVQIOVOWINNWTL-SNVBAGLBSA-N 1 0 285.307 1.594 20 5 CDBDRO Nc1ccc(NC(=O)[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC001574287160 1170939530 /nfs/dbraw/zinc/93/95/30/1170939530.db2.gz BBYCLYPGLOCIAW-ZDUSSCGKSA-N 1 0 286.291 1.816 20 5 CDBDRO C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1F ZINC001575058303 1171097309 /nfs/dbraw/zinc/09/73/09/1171097309.db2.gz BZCIFEZTLCGSMW-JRKPZEMJSA-N 1 0 295.314 1.643 20 5 CDBDRO C[C@H](C(=O)N[C@H]1C[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC001575070773 1171102011 /nfs/dbraw/zinc/10/20/11/1171102011.db2.gz DDHHTJSJJLRWFG-INTQDDNPSA-N 1 0 263.297 1.304 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001576612739 1171468779 /nfs/dbraw/zinc/46/87/79/1171468779.db2.gz VCJSBNNDFOEMSP-WPRPVWTQSA-N 1 0 288.307 1.638 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1NC ZINC001577309564 1171641191 /nfs/dbraw/zinc/64/11/91/1171641191.db2.gz XYAHSDLBFMSOKO-GHMZBOCLSA-N 1 0 292.339 1.963 20 5 CDBDRO [NH3+][C@@H]1C[C@@H]1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001580398078 1172422083 /nfs/dbraw/zinc/42/20/83/1172422083.db2.gz QFKXUMKMJVQHNH-LOWVWBTDSA-N 1 0 293.348 1.516 20 5 CDBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CC2(C[NH2+]C2)C1 ZINC001580810037 1172547264 /nfs/dbraw/zinc/54/72/64/1172547264.db2.gz DIBVMBCLJDELLD-UHFFFAOYSA-N 1 0 286.291 1.122 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCCN2CC[NH2+][C@H]3C[C@H]32)cc1 ZINC001580875828 1172558846 /nfs/dbraw/zinc/55/88/46/1172558846.db2.gz SAWWLJZHUGFQKB-UONOGXRCSA-N 1 0 277.324 1.410 20 5 CDBDRO CN(C)C(C)(C)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158634440 1178226437 /nfs/dbraw/zinc/22/64/37/1178226437.db2.gz FAZUZYKYYJWFKN-ZDUSSCGKSA-N 1 0 281.356 1.558 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc(N)c([N+](=O)[O-])cn1 ZINC001164636403 719212316 /nfs/dbraw/zinc/21/23/16/719212316.db2.gz KBWPSNJQIVFTTR-RKDXNWHRSA-N 1 0 265.317 1.101 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2N)C1 ZINC001165035977 721895208 /nfs/dbraw/zinc/89/52/08/721895208.db2.gz QNXWISSWLMTPSL-SECBINFHSA-N 1 0 265.317 1.102 20 5 CDBDRO COc1nc(N2CCC(C[NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC001165041719 721942062 /nfs/dbraw/zinc/94/20/62/721942062.db2.gz BMNVAVZEHDLBPJ-UHFFFAOYSA-N 1 0 295.343 1.171 20 5 CDBDRO C[C@H](CO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866240848 1164756275 /nfs/dbraw/zinc/75/62/75/1164756275.db2.gz OTLZJMUVMPFZMN-DTWKUNHWSA-N 1 0 256.277 1.635 20 5 CDBDRO CC(C)(CCC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[N+](=O)[O-] ZINC000826014089 1166133162 /nfs/dbraw/zinc/13/31/62/1166133162.db2.gz VJACKPSFHWYSAD-ZDUSSCGKSA-N 1 0 297.399 1.766 20 5 CDBDRO COc1ccc(C(=O)N(C)[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000159869706 796510457 /nfs/dbraw/zinc/51/04/57/796510457.db2.gz OFQLDVPOECWHJS-GFCCVEGCSA-N 1 0 293.323 1.413 20 5 CDBDRO C[C@@H]([NH3+])c1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000124353492 796528133 /nfs/dbraw/zinc/52/81/33/796528133.db2.gz GYOPVRRPFJMMBY-SECBINFHSA-N 1 0 261.285 1.449 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3cc(F)c([N+](=O)[O-])cc3CO)C[C@@H]21 ZINC000865851585 796575443 /nfs/dbraw/zinc/57/54/43/796575443.db2.gz HWDAZVSRZJMRJK-OTYXRUKQSA-N 1 0 295.314 1.367 20 5 CDBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000252709244 796598464 /nfs/dbraw/zinc/59/84/64/796598464.db2.gz CKQFIMHEMHRPBS-VHRBIJSZSA-N 1 0 280.324 1.643 20 5 CDBDRO C[C@@H](CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000855417161 796783874 /nfs/dbraw/zinc/78/38/74/796783874.db2.gz CZDUTACZSFYKSZ-GXFFZTMASA-N 1 0 295.339 1.085 20 5 CDBDRO C[C@H](CCO)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134758001 796804956 /nfs/dbraw/zinc/80/49/56/796804956.db2.gz CBFFKRSKTBIQCH-ZWNOBZJWSA-N 1 0 268.313 1.236 20 5 CDBDRO CNC(=O)c1ccc(N2CCCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000212640316 797001955 /nfs/dbraw/zinc/00/19/55/797001955.db2.gz QDMHIHRRSFNNES-LLVKDONJSA-N 1 0 292.339 1.272 20 5 CDBDRO O=[N+]([O-])c1cccc(-c2noc(C[C@@H]3CC[NH2+]C3)n2)c1 ZINC000089713505 797009836 /nfs/dbraw/zinc/00/98/36/797009836.db2.gz RHSMGJHEUGLRIV-VIFPVBQESA-N 1 0 274.280 1.797 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000882493188 797059281 /nfs/dbraw/zinc/05/92/81/797059281.db2.gz ZDZJUEANFYLHJL-NSHDSACASA-N 1 0 293.323 1.427 20 5 CDBDRO C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000886839724 797077525 /nfs/dbraw/zinc/07/75/25/797077525.db2.gz KZNUUPUVEPGJHH-ZJUUUORDSA-N 1 0 250.302 1.172 20 5 CDBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000929964140 797086554 /nfs/dbraw/zinc/08/65/54/797086554.db2.gz BRSJDFJAPJCUFP-XQQFMLRXSA-N 1 0 255.362 1.600 20 5 CDBDRO Cc1nn(CN2CC[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000779867526 797144619 /nfs/dbraw/zinc/14/46/19/797144619.db2.gz ALBQATOZRYYFAT-LLVKDONJSA-N 1 0 250.302 1.789 20 5 CDBDRO CNC(=O)CCC[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000179026420 797252604 /nfs/dbraw/zinc/25/26/04/797252604.db2.gz BXTRYGWNOYIOCW-UHFFFAOYSA-N 1 0 283.303 1.692 20 5 CDBDRO C[C@H]([NH2+]C1CCS(=O)(=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000036331094 797310083 /nfs/dbraw/zinc/31/00/83/797310083.db2.gz SMILXLUYKZSOMU-JTQLQIEISA-N 1 0 298.364 1.823 20 5 CDBDRO C[C@@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])C[NH+](C)C ZINC000868512816 797334574 /nfs/dbraw/zinc/33/45/74/797334574.db2.gz GTFIIJNCPUXSHY-JTQLQIEISA-N 1 0 297.330 1.590 20 5 CDBDRO C[C@H]1CC[NH2+][C@H](c2nc(-c3c([N+](=O)[O-])ncn3C)no2)C1 ZINC000823089549 797344040 /nfs/dbraw/zinc/34/40/40/797344040.db2.gz VRBBVUJTAMCCTO-YUMQZZPRSA-N 1 0 292.299 1.439 20 5 CDBDRO [NH3+][C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000129213450 797363180 /nfs/dbraw/zinc/36/31/80/797363180.db2.gz HMDORSIQMRKCOD-JTQLQIEISA-N 1 0 283.715 1.715 20 5 CDBDRO O=C(N[C@H]1C[C@H](C[NH2+]CC2CCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983653398 797412870 /nfs/dbraw/zinc/41/28/70/797412870.db2.gz JCKYQNHCXDXCAW-AAVRWANBSA-N 1 0 295.383 1.326 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCO ZINC000866215490 797422533 /nfs/dbraw/zinc/42/25/33/797422533.db2.gz YPZDLESTQOKNRD-SECBINFHSA-N 1 0 256.277 1.637 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000882486036 797508216 /nfs/dbraw/zinc/50/82/16/797508216.db2.gz OBYHTAPGCKBEQA-GFCCVEGCSA-N 1 0 277.324 1.727 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923294008 797519668 /nfs/dbraw/zinc/51/96/68/797519668.db2.gz BZTDIRFMOPPIGU-KGLIPLIRSA-N 1 0 279.340 1.312 20 5 CDBDRO C[C@H](CO)CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819190652 797533094 /nfs/dbraw/zinc/53/30/94/797533094.db2.gz KYYIAHWRNRSFNL-SMDDNHRTSA-N 1 0 282.340 1.626 20 5 CDBDRO Cc1c(CNC(=O)[C@]2(F)CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000831993245 797691154 /nfs/dbraw/zinc/69/11/54/797691154.db2.gz RMYXQBNOXRTISU-ZDUSSCGKSA-N 1 0 281.287 1.221 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000193603923 797790965 /nfs/dbraw/zinc/79/09/65/797790965.db2.gz OIBPHDZOLCNSNQ-OIBJUYFYSA-N 1 0 296.302 1.186 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000843503633 797804291 /nfs/dbraw/zinc/80/42/91/797804291.db2.gz LOZVMYWHKXZIMT-JGVFFNPUSA-N 1 0 296.283 1.359 20 5 CDBDRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000930760571 797813917 /nfs/dbraw/zinc/81/39/17/797813917.db2.gz JXYHQBUBLWTHTI-GHMZBOCLSA-N 1 0 287.360 1.689 20 5 CDBDRO COC[C@@](C)(CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000716812816 797818524 /nfs/dbraw/zinc/81/85/24/797818524.db2.gz RNMNZXJQFMOEEO-GFCCVEGCSA-N 1 0 288.731 1.735 20 5 CDBDRO C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000125423728 797832556 /nfs/dbraw/zinc/83/25/56/797832556.db2.gz WLQPBJOMPUYIHE-JQWIXIFHSA-N 1 0 284.360 1.424 20 5 CDBDRO Cc1nc(N2CCC[C@@H]3[NH2+]CC[C@H]32)ccc1[N+](=O)[O-] ZINC000864599780 797840801 /nfs/dbraw/zinc/84/08/01/797840801.db2.gz CRLHIAVNEBJFLT-CMPLNLGQSA-N 1 0 262.313 1.629 20 5 CDBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839749739 797868743 /nfs/dbraw/zinc/86/87/43/797868743.db2.gz DLNFRYJIFDKFFZ-MGPQQGTHSA-N 1 0 295.383 1.565 20 5 CDBDRO [NH3+][C@H]1CC[C@H](C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000710962714 797881356 /nfs/dbraw/zinc/88/13/56/797881356.db2.gz KRKHYEUBUGVMOU-UMSPYCQHSA-N 1 0 277.324 1.729 20 5 CDBDRO Cc1ccnc(N[C@@H]2COCCC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001155460976 1167178275 /nfs/dbraw/zinc/17/82/75/1167178275.db2.gz GBCDSGCYPJOEAT-SNVBAGLBSA-N 1 0 278.312 1.089 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)nc(NC[C@]23C[NH2+]C[C@H]2COC3)c1 ZINC001155509935 1167204663 /nfs/dbraw/zinc/20/46/63/1167204663.db2.gz MXCYVPFHTALMHV-UFBFGSQYSA-N 1 0 298.730 1.291 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCn1cncn1 ZINC001173216410 912301592 /nfs/dbraw/zinc/30/15/92/912301592.db2.gz JCWWWPYEMGBVNU-LLVKDONJSA-N 1 0 275.312 1.407 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCC1 ZINC001173221771 912306386 /nfs/dbraw/zinc/30/63/86/912306386.db2.gz PSUGQSIELGKIJQ-GFCCVEGCSA-N 1 0 263.341 1.821 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1COC[C@@H]1F ZINC001173228329 912321878 /nfs/dbraw/zinc/32/18/78/912321878.db2.gz JDBFBUQPHUELRQ-XDTLVQLUSA-N 1 0 268.288 1.852 20 5 CDBDRO C[C@](O)(C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000698675413 912681797 /nfs/dbraw/zinc/68/17/97/912681797.db2.gz LSAQAFDXLACQQW-LBPRGKRZSA-N 1 0 290.266 1.579 20 5 CDBDRO COC(=O)c1ccc(C)c(O[C@H](C)C[N+](C)(C)C)n1 ZINC001234417694 913616357 /nfs/dbraw/zinc/61/63/57/913616357.db2.gz AEJXDNVDIXDTFE-LLVKDONJSA-N 1 0 267.349 1.650 20 5 CDBDRO COc1cnc(N[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001167272999 895011583 /nfs/dbraw/zinc/01/15/83/895011583.db2.gz MHYXMIWYPPZSOJ-QMMMGPOBSA-N 1 0 252.274 1.114 20 5 CDBDRO COC(=O)Cc1ccc(-n2cccc2C[NH3+])cc1[N+](=O)[O-] ZINC001167593672 896952203 /nfs/dbraw/zinc/95/22/03/896952203.db2.gz YSRVFZLTQAGKLZ-UHFFFAOYSA-N 1 0 289.291 1.560 20 5 CDBDRO CCOc1cnc(-n2ccc(C[NH3+])cc2=N)c([N+](=O)[O-])c1 ZINC001167692385 898266401 /nfs/dbraw/zinc/26/64/01/898266401.db2.gz WLXVDMMXXNFLRA-UHFFFAOYSA-N 1 0 289.295 1.117 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])nc2)C1 ZINC001226710584 905496832 /nfs/dbraw/zinc/49/68/32/905496832.db2.gz SUQVNKKDOAYMAQ-NSHDSACASA-N 1 0 251.286 1.851 20 5 CDBDRO COc1cc(O)cc(OC)c1O[C@H](C)C[N+](C)(C)C ZINC001227250932 906143125 /nfs/dbraw/zinc/14/31/25/906143125.db2.gz ASPGMLLWBWRPOC-SNVBAGLBSA-O 1 0 270.349 1.883 20 5 CDBDRO O=C(NC1CC[NH+](CCC2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002789001 921238208 /nfs/dbraw/zinc/23/82/08/921238208.db2.gz QTNAFOFNWNAXKL-CHWSQXEVSA-N 1 0 281.356 1.032 20 5 CDBDRO Cc1c([N+](=O)[O-])cc(F)cc1-n1cc(C[NH3+])cn1 ZINC001168258477 908003924 /nfs/dbraw/zinc/00/39/24/908003924.db2.gz VZIXORCPHDOLRY-UHFFFAOYSA-N 1 0 250.233 1.687 20 5 CDBDRO CC1(C)CC[NH2+]CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000712589756 909570218 /nfs/dbraw/zinc/57/02/18/909570218.db2.gz WGNJZQITHLCRCN-UHFFFAOYSA-N 1 0 277.324 1.809 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000160380062 909971346 /nfs/dbraw/zinc/97/13/46/909971346.db2.gz ITQQAIFBRKSOMS-SECBINFHSA-N 1 0 297.742 1.930 20 5 CDBDRO CC(C)OCCOCCOCCOCC[N+](C)(C)C ZINC001224775693 910705153 /nfs/dbraw/zinc/70/51/53/910705153.db2.gz MUSRLXZXLYRFQB-UHFFFAOYSA-N 1 0 278.413 1.167 20 5 CDBDRO Cc1c(C[NH2+]CC[S@@](C)=O)cccc1[N+](=O)[O-] ZINC000158095127 911726795 /nfs/dbraw/zinc/72/67/95/911726795.db2.gz FADQNSADARZKLP-KRWDZBQOSA-N 1 0 256.327 1.371 20 5 CDBDRO COc1cc(-n2ccnc2C(N)=[NH2+])cc([N+](=O)[O-])c1C ZINC001168417249 912163829 /nfs/dbraw/zinc/16/38/29/912163829.db2.gz DAORUACFHWVOHU-UHFFFAOYSA-N 1 0 275.268 1.382 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C3CCC3)C2)n1 ZINC001161176787 936387239 /nfs/dbraw/zinc/38/72/39/936387239.db2.gz FDXIRVHGOMSWDQ-JTQLQIEISA-N 1 0 277.328 1.732 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000828987994 936398475 /nfs/dbraw/zinc/39/84/75/936398475.db2.gz PAADUXBHQNKBPU-RNCFNFMXSA-N 1 0 265.288 1.874 20 5 CDBDRO O=C(NCC1=CC[N@H+](CC2CCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000674038 936538178 /nfs/dbraw/zinc/53/81/78/936538178.db2.gz LIHAPMIEZMOTEK-ZIAGYGMSSA-N 1 0 293.367 1.200 20 5 CDBDRO CCC1(Nc2nc(SC)nc(OC)c2[N+](=O)[O-])C[NH2+]C1 ZINC001168580715 919274772 /nfs/dbraw/zinc/27/47/72/919274772.db2.gz NHPNACGGFQWWDR-UHFFFAOYSA-N 1 0 299.356 1.279 20 5 CDBDRO CS[C@H](C)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000162714879 922038201 /nfs/dbraw/zinc/03/82/01/922038201.db2.gz PAKSVCNAKZTWTR-SKDRFNHKSA-N 1 0 270.354 1.969 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702056142 922464258 /nfs/dbraw/zinc/46/42/58/922464258.db2.gz QCOKAHLGPIZKPI-ZCFIWIBFSA-N 1 0 257.677 1.325 20 5 CDBDRO CCC[C@H]1C[NH2+]CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923331680 923757805 /nfs/dbraw/zinc/75/78/05/923757805.db2.gz NMVFATKMOAHEGW-LSDHHAIUSA-N 1 0 293.367 1.702 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1ccc(N(C)C)cc1[N+](=O)[O-] ZINC001163985872 924453885 /nfs/dbraw/zinc/45/38/85/924453885.db2.gz HVKMPFMVKKPSLT-UHFFFAOYSA-N 1 0 275.312 1.614 20 5 CDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1NOCC[NH3+] ZINC001164429601 924881403 /nfs/dbraw/zinc/88/14/03/924881403.db2.gz MLGDUPNZRCCCCU-UHFFFAOYSA-N 1 0 269.257 1.074 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(CCC(C)(C)[NH3+])n1 ZINC000843223707 937123103 /nfs/dbraw/zinc/12/31/03/937123103.db2.gz UWOPXBQNJFSQTM-UHFFFAOYSA-N 1 0 280.288 1.048 20 5 CDBDRO [NH3+]CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843279146 937129159 /nfs/dbraw/zinc/12/91/59/937129159.db2.gz ONQXQEHYOQEIRV-UHFFFAOYSA-N 1 0 275.667 1.005 20 5 CDBDRO [NH3+][C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843346420 937140354 /nfs/dbraw/zinc/14/03/54/937140354.db2.gz GNXCPVUYGSYCOX-VIFPVBQESA-N 1 0 296.302 1.096 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C/C=C\CO)CC2)cc1 ZINC000850509734 927439087 /nfs/dbraw/zinc/43/90/87/927439087.db2.gz RIWWASTYYCCVRL-UPHRSURJSA-N 1 0 291.351 1.702 20 5 CDBDRO [NH3+]Cc1nnnn1-c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001168919935 927540028 /nfs/dbraw/zinc/54/00/28/927540028.db2.gz CHXNYBFEFAMSNG-UHFFFAOYSA-N 1 0 288.189 1.048 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CCN(CCF)CC2)C1 ZINC001168984624 927572547 /nfs/dbraw/zinc/57/25/47/927572547.db2.gz PDANKCLLGMBVDO-WCQYABFASA-N 1 0 273.352 1.455 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCCn2ccnc2)C1 ZINC001168958826 927579884 /nfs/dbraw/zinc/57/98/84/927579884.db2.gz QDMNLWLKBBVJBC-NEPJUHHUSA-N 1 0 252.318 1.308 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2nccs2)C1 ZINC001168958749 927580033 /nfs/dbraw/zinc/58/00/33/927580033.db2.gz OZVJSIJYEFGFMA-UWVGGRQHSA-N 1 0 255.343 1.721 20 5 CDBDRO COC(=O)CCCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168992043 927601573 /nfs/dbraw/zinc/60/15/73/927601573.db2.gz JDTZKOVGACNJSF-GHMZBOCLSA-N 1 0 258.318 1.365 20 5 CDBDRO COC(=O)C(C)(C)C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168966274 927589506 /nfs/dbraw/zinc/58/95/06/927589506.db2.gz HFXBEHXLCPJLSH-VHSXEESVSA-N 1 0 258.318 1.221 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccnc2F)C1 ZINC001168970280 927594284 /nfs/dbraw/zinc/59/42/84/927594284.db2.gz GXTYNZTUZQFZID-KOLCDFICSA-N 1 0 253.277 1.756 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cncnc1 ZINC001168975682 927599252 /nfs/dbraw/zinc/59/92/52/927599252.db2.gz WRGHHNTULAAQQX-JBLDHEPKSA-N 1 0 250.302 1.573 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1cc([N+](=O)[O-])cc(F)c1C ZINC001168993034 927600372 /nfs/dbraw/zinc/60/03/72/927600372.db2.gz WUOFSVMTFQMTBF-UHFFFAOYSA-N 1 0 279.275 1.433 20 5 CDBDRO O=C(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(O)cc1 ZINC001169002320 927606541 /nfs/dbraw/zinc/60/65/41/927606541.db2.gz KQQBQXFWKUCSPO-ZYHUDNBSSA-N 1 0 278.308 1.610 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H](n2cnc3c2C[NH2+]CC3)C1 ZINC001169010701 927617008 /nfs/dbraw/zinc/61/70/08/927617008.db2.gz FQPZSCQAXWEXBE-UWVGGRQHSA-N 1 0 250.302 1.147 20 5 CDBDRO Cc1cnc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)s1 ZINC001168988442 927626966 /nfs/dbraw/zinc/62/69/66/927626966.db2.gz SKMIYADTKHCZEM-NXEZZACHSA-N 1 0 255.343 1.987 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCN2CCC(F)(F)CC2)C1 ZINC001168988932 927627875 /nfs/dbraw/zinc/62/78/75/927627875.db2.gz VCOZLLCEYRFXPD-RYUDHWBXSA-N 1 0 291.342 1.753 20 5 CDBDRO O=C1NC[C@]2(CCC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)O1 ZINC001169039241 927649924 /nfs/dbraw/zinc/64/99/24/927649924.db2.gz OMZVUYUEKSAMHH-LOWVWBTDSA-N 1 0 283.328 1.006 20 5 CDBDRO CCOC(=O)[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038565 927651386 /nfs/dbraw/zinc/65/13/86/927651386.db2.gz ZRINBFCLTBESJP-AVGNSLFASA-N 1 0 284.356 1.849 20 5 CDBDRO CCOC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039886 927654665 /nfs/dbraw/zinc/65/46/65/927654665.db2.gz VJQGJFYWLCCTAO-SRVKXCTJSA-N 1 0 270.329 1.459 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2CCO[C@@H](C[NH+]3CCCC3)C2)C1 ZINC001169054822 927672708 /nfs/dbraw/zinc/67/27/08/927672708.db2.gz NSFLNMBTLHXFSE-ILXRZTDVSA-N 1 0 297.399 1.228 20 5 CDBDRO COC(=O)[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC12CC2 ZINC001169057836 927675017 /nfs/dbraw/zinc/67/50/17/927675017.db2.gz XYCLAFQJPMHUCN-WOPDTQHZSA-N 1 0 282.340 1.317 20 5 CDBDRO CC1(O)CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776586350 927749355 /nfs/dbraw/zinc/74/93/55/927749355.db2.gz NBDBWVBDIOSATN-CYBMUJFWSA-N 1 0 280.324 1.475 20 5 CDBDRO COCCC[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579647 927754778 /nfs/dbraw/zinc/75/47/78/927754778.db2.gz OXPONMFRVHLSJG-CYBMUJFWSA-N 1 0 268.313 1.597 20 5 CDBDRO C[C@H](O)[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592160 927778851 /nfs/dbraw/zinc/77/88/51/927778851.db2.gz ZOURXEAJIIXAJJ-CORIIIEPSA-N 1 0 294.351 1.721 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776598402 927794456 /nfs/dbraw/zinc/79/44/56/927794456.db2.gz MXVWSTMKXFCWFH-LALPHHSUSA-N 1 0 293.367 1.653 20 5 CDBDRO C[C@@H]([NH3+])c1ccn(-c2cccc3ncc([N+](=O)[O-])n32)n1 ZINC001169233729 927850816 /nfs/dbraw/zinc/85/08/16/927850816.db2.gz CLHRUIUXYZSCJO-MRVPVSSYSA-N 1 0 272.268 1.448 20 5 CDBDRO O=[N+]([O-])c1cccnc1NCc1ncn2c1C[NH2+]CCC2 ZINC001169239989 927873307 /nfs/dbraw/zinc/87/33/07/927873307.db2.gz AWPCIUDFDFMGBM-UHFFFAOYSA-N 1 0 288.311 1.292 20 5 CDBDRO [NH3+]Cc1nn(-c2ncc([N+](=O)[O-])cc2F)c2ccccc12 ZINC001156855915 929016447 /nfs/dbraw/zinc/01/64/47/929016447.db2.gz SKJVGZGQCOVMID-UHFFFAOYSA-N 1 0 287.254 1.927 20 5 CDBDRO CC[C@]1(CO)CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000784394730 937300747 /nfs/dbraw/zinc/30/07/47/937300747.db2.gz VWAKZUTTXRDQKJ-LSDHHAIUSA-N 1 0 294.351 1.865 20 5 CDBDRO CC(C)[N@H+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N)n2)C1 ZINC001157021680 929108923 /nfs/dbraw/zinc/10/89/23/929108923.db2.gz QYAHLKHBEWNIJJ-SNVBAGLBSA-N 1 0 279.344 1.491 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1NC[C@@H]1COCC[NH2+]1 ZINC001170045668 929142068 /nfs/dbraw/zinc/14/20/68/929142068.db2.gz UHBZEGVLBBKPBD-GFCCVEGCSA-N 1 0 279.340 1.920 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H]1COCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815561843 930052967 /nfs/dbraw/zinc/05/29/67/930052967.db2.gz RAXVJPJRFOKSRM-MWLCHTKSSA-N 1 0 281.312 1.243 20 5 CDBDRO C[C@@H]([NH2+][C@H](CCO)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815594708 930058308 /nfs/dbraw/zinc/05/83/08/930058308.db2.gz WLFPBNMNBVFUGR-NOZJJQNGSA-N 1 0 279.340 1.989 20 5 CDBDRO O=C(NCC1([NH2+]CCF)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530922 937390570 /nfs/dbraw/zinc/39/05/70/937390570.db2.gz ZBACHFQCOQAIHM-GHMZBOCLSA-N 1 0 287.335 1.030 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001170856633 930450767 /nfs/dbraw/zinc/45/07/67/930450767.db2.gz FEXIRRPACFAJSJ-ZDUSSCGKSA-N 1 0 294.286 1.751 20 5 CDBDRO [NH3+][C@@H](CC1CC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000884153915 930462508 /nfs/dbraw/zinc/46/25/08/930462508.db2.gz VIJFNRBZXCAIJG-LBPRGKRZSA-N 1 0 277.324 1.381 20 5 CDBDRO C[NH+](C)C[C@@H](CO)Nc1ncc([N+](=O)[O-])c2ccccc21 ZINC000884508931 930586680 /nfs/dbraw/zinc/58/66/80/930586680.db2.gz SKNOWXVJCISGNV-JTQLQIEISA-N 1 0 290.323 1.477 20 5 CDBDRO C[C@H](NC[C@H]1CCC[NH2+]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817952451 930645244 /nfs/dbraw/zinc/64/52/44/930645244.db2.gz QANSBZPZNZRPDW-GXSJLCMTSA-N 1 0 264.329 1.580 20 5 CDBDRO C[C@H](NC[C@@H]1C[NH2+]CCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817981249 930659236 /nfs/dbraw/zinc/65/92/36/930659236.db2.gz HWPPXWBECUGENA-JQWIXIFHSA-N 1 0 294.355 1.206 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCC=CO2)c1 ZINC000819246637 930772445 /nfs/dbraw/zinc/77/24/45/930772445.db2.gz OFPOZJJJFMOTOL-KBPBESRZSA-N 1 0 278.308 1.911 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@@H](CO)C1 ZINC000885944663 930774031 /nfs/dbraw/zinc/77/40/31/930774031.db2.gz UHZRISGQQHDZDH-SNVBAGLBSA-N 1 0 251.286 1.194 20 5 CDBDRO C[C@@H]1COCC[C@@H]1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819305198 930782032 /nfs/dbraw/zinc/78/20/32/930782032.db2.gz HTFYNFFDPXSWCL-UXIGCNINSA-N 1 0 294.351 1.890 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](C)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819318377 930796448 /nfs/dbraw/zinc/79/64/48/930796448.db2.gz ZJWUZPYRILPZLC-SWLSCSKDSA-N 1 0 295.383 1.947 20 5 CDBDRO CN(Cc1cccnc1[N+](=O)[O-])CC1([NH+](C)C)CCC1 ZINC000886160239 930817115 /nfs/dbraw/zinc/81/71/15/930817115.db2.gz NVSRYXMQTKLRHE-UHFFFAOYSA-N 1 0 278.356 1.906 20 5 CDBDRO C[C@H](CO)C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886267318 930844629 /nfs/dbraw/zinc/84/46/29/930844629.db2.gz KOMMODGVBWKHOG-LLVKDONJSA-N 1 0 279.340 1.830 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CC[NH2+]CCC12CCC2 ZINC000886842859 930973649 /nfs/dbraw/zinc/97/36/49/930973649.db2.gz HVVQPMBEXAIEQI-UHFFFAOYSA-N 1 0 276.340 1.708 20 5 CDBDRO C[C@@H](CNC(=O)C1([NH+](C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000887400836 931082091 /nfs/dbraw/zinc/08/20/91/931082091.db2.gz LAWYOXZRLGINCW-NSHDSACASA-N 1 0 291.351 1.909 20 5 CDBDRO CC(C)(CCC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[N+](=O)[O-] ZINC000822767664 931207178 /nfs/dbraw/zinc/20/71/78/931207178.db2.gz CITMBUWPCVAQMC-SNVBAGLBSA-N 1 0 269.345 1.175 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000823269118 931280382 /nfs/dbraw/zinc/28/03/82/931280382.db2.gz CZKKXXJJHSHAKU-WDSKDSINSA-N 1 0 252.230 1.689 20 5 CDBDRO C[C@@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[NH+](C)C ZINC000823933162 931374930 /nfs/dbraw/zinc/37/49/30/931374930.db2.gz LTCVVXQDPTWKDU-QMMMGPOBSA-N 1 0 281.316 1.249 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(NCc2ccc3c(c2)CC[NH2+]C3)n1 ZINC001155268261 937656039 /nfs/dbraw/zinc/65/60/39/937656039.db2.gz XAIJVJWFKXEYFE-UHFFFAOYSA-N 1 0 299.334 1.951 20 5 CDBDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CC[N+](=O)[O-])C(C)(C)C ZINC000930314689 933356894 /nfs/dbraw/zinc/35/68/94/933356894.db2.gz GTBHWNCFXNYLDP-SNVBAGLBSA-N 1 0 289.376 1.792 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931276701 933529483 /nfs/dbraw/zinc/52/94/83/933529483.db2.gz BWUALUOXMOZGAD-NHAGDIPZSA-N 1 0 291.351 1.595 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)C2CC2)c(F)c1 ZINC000778088198 933717932 /nfs/dbraw/zinc/71/79/32/933717932.db2.gz MVWNTHJUYCTENL-LBPRGKRZSA-N 1 0 254.261 1.594 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2cccnc2)cc1 ZINC000158622864 934296155 /nfs/dbraw/zinc/29/61/55/934296155.db2.gz RYLUGJQBZWFDOG-OAHLLOKOSA-N 1 0 287.319 1.856 20 5 CDBDRO COCCOC[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC001120037799 937775865 /nfs/dbraw/zinc/77/58/65/937775865.db2.gz LOMPSCQKYSIWTK-GFCCVEGCSA-N 1 0 282.340 1.778 20 5 CDBDRO C[C@H]1C[N@H+](CCCNc2c([N+](=O)[O-])cnn2C)CCCO1 ZINC001120037757 937775880 /nfs/dbraw/zinc/77/58/80/937775880.db2.gz KGNOPDMUAANDKR-NSHDSACASA-N 1 0 297.359 1.241 20 5 CDBDRO C[C@@H]1[C@H](O)CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000832220246 934803569 /nfs/dbraw/zinc/80/35/69/934803569.db2.gz PUDZGWJNZMOEMN-WQAKAFBOSA-N 1 0 266.297 1.083 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001120466926 937800965 /nfs/dbraw/zinc/80/09/65/937800965.db2.gz GJKBGGSIUFPDAE-UWVGGRQHSA-N 1 0 280.328 1.563 20 5 CDBDRO CO[C@H](C)C[N@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000795750744 934930844 /nfs/dbraw/zinc/93/08/44/934930844.db2.gz MWPMGUHSBNSROD-SNVBAGLBSA-N 1 0 278.312 1.869 20 5 CDBDRO CSCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001123165432 936122600 /nfs/dbraw/zinc/12/26/00/936122600.db2.gz BBPJFTTVGIYCAM-UHFFFAOYSA-N 1 0 283.353 1.164 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH3+])CC(C)C)c1 ZINC001121805754 937883295 /nfs/dbraw/zinc/88/32/95/937883295.db2.gz IEEVRHVCULOLPN-SNVBAGLBSA-N 1 0 295.339 1.707 20 5 CDBDRO COc1cc(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC001156386435 938361398 /nfs/dbraw/zinc/36/13/98/938361398.db2.gz ZUQFWKNNYYSCEY-QMTHXVAHSA-N 1 0 292.339 1.386 20 5 CDBDRO [NH3+]CCc1ccn(-c2cnc3ccc([N+](=O)[O-])cc3n2)n1 ZINC001156898253 938430916 /nfs/dbraw/zinc/43/09/16/938430916.db2.gz HHMIEXWPUNDWNZ-UHFFFAOYSA-N 1 0 284.279 1.225 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2ccc(CC[NH3+])n2)n1 ZINC001156898902 938431404 /nfs/dbraw/zinc/43/14/04/938431404.db2.gz YHEHWJWICJODAV-UHFFFAOYSA-N 1 0 281.703 1.639 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@H]21 ZINC001157266054 938471743 /nfs/dbraw/zinc/47/17/43/938471743.db2.gz NHWGVIKLTZQEDP-BXKDBHETSA-N 1 0 280.303 1.659 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@H]([NH3+])[C@H]2C)n1 ZINC001157742092 938539078 /nfs/dbraw/zinc/53/90/78/938539078.db2.gz PGSWNNWCLAAATJ-BDAKNGLRSA-N 1 0 281.316 1.018 20 5 CDBDRO [NH3+]C[C@]1(F)CCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC001157813044 938550030 /nfs/dbraw/zinc/55/00/30/938550030.db2.gz OMKJHTNGJYTYAK-SNVBAGLBSA-N 1 0 258.228 1.006 20 5 CDBDRO CCOc1nc(-n2c(C)cnc2C[NH3+])ccc1[N+](=O)[O-] ZINC001158167715 938589344 /nfs/dbraw/zinc/58/93/44/938589344.db2.gz VNQUFRMFQNYJEX-UHFFFAOYSA-N 1 0 277.284 1.341 20 5 CDBDRO C[C@@H]([NH3+])c1ccn(-c2ccc3[nH]cc([N+](=O)[O-])c3n2)n1 ZINC001158351054 938613163 /nfs/dbraw/zinc/61/31/63/938613163.db2.gz SKHLWZNOQNWJNB-SSDOTTSWSA-N 1 0 272.268 1.677 20 5 CDBDRO Cc1c(C)c(-n2ccc([C@H](C)[NH3+])n2)ncc1[N+](=O)[O-] ZINC001158350744 938613221 /nfs/dbraw/zinc/61/32/21/938613221.db2.gz OCXLSTWRFHUGJU-VIFPVBQESA-N 1 0 261.285 1.812 20 5 CDBDRO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2N)C2(CCCC2)C1 ZINC001158410349 938619104 /nfs/dbraw/zinc/61/91/04/938619104.db2.gz QPYVGUZCJKCLBX-UHFFFAOYSA-N 1 0 291.355 1.637 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[N@@H+]4CC[C@@H]4C3)c2c1 ZINC001158423228 938621794 /nfs/dbraw/zinc/62/17/94/938621794.db2.gz JFRXHIHXNONGSB-LLVKDONJSA-N 1 0 285.307 1.432 20 5 CDBDRO C[C@@H]([NH3+])CCNc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001159774907 938751812 /nfs/dbraw/zinc/75/18/12/938751812.db2.gz ZNNGATJHPWXBPJ-ZCFIWIBFSA-N 1 0 255.234 1.047 20 5 CDBDRO Nc1cc(NC[C@@H]2CCCC[NH2+]2)ncc1[N+](=O)[O-] ZINC001160148492 938771776 /nfs/dbraw/zinc/77/17/76/938771776.db2.gz SVIKGTCPTUOWIK-QMMMGPOBSA-N 1 0 251.290 1.126 20 5 CDBDRO COc1ncnc(Nc2cccc(CC[NH3+])c2)c1[N+](=O)[O-] ZINC001161079085 938868960 /nfs/dbraw/zinc/86/89/60/938868960.db2.gz OYAYSNGHQNHAKT-UHFFFAOYSA-N 1 0 289.295 1.638 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cc(NCCCC[NH+](C)C)n1 ZINC001161724258 938926317 /nfs/dbraw/zinc/92/63/17/938926317.db2.gz DJMCURORNVODJX-UHFFFAOYSA-N 1 0 296.327 1.530 20 5 CDBDRO COc1cc(C)nc(N[C@H]2C[C@@](C)([NH3+])C2)c1[N+](=O)[O-] ZINC001162328543 939024463 /nfs/dbraw/zinc/02/44/63/939024463.db2.gz UFNNLYUGSLPYKM-LYWQIFSTSA-N 1 0 266.301 1.599 20 5 CDBDRO COc1nc(C)nc(N[C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001162390830 939042305 /nfs/dbraw/zinc/04/23/05/939042305.db2.gz ITMQIGJXOXCXID-IUCAKERBSA-N 1 0 281.316 1.384 20 5 CDBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001162456085 939059409 /nfs/dbraw/zinc/05/94/09/939059409.db2.gz GCLJEXCHATZWIH-GHMZBOCLSA-N 1 0 294.355 1.341 20 5 CDBDRO COc1ccc(NC[C@@]2(F)CCCC[NH2+]C2)nc1[N+](=O)[O-] ZINC001162579330 939092437 /nfs/dbraw/zinc/09/24/37/939092437.db2.gz IKWFJWSVRUXDPL-CYBMUJFWSA-N 1 0 298.318 1.892 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C=C[C@H]2C[NH2+]C[C@H]21 ZINC001162789505 939139522 /nfs/dbraw/zinc/13/95/22/939139522.db2.gz GXGGTRNQLATKDH-MVWJERBFSA-N 1 0 260.297 1.484 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])c1 ZINC001162794562 939142466 /nfs/dbraw/zinc/14/24/66/939142466.db2.gz PYBZKHLFFDGJAI-FXBDTBDDSA-N 1 0 291.267 1.084 20 5 CDBDRO Cc1cnc(NC[C@@H]2CC[NH2+]C[C@@H]2F)c([N+](=O)[O-])c1 ZINC001162801896 939145753 /nfs/dbraw/zinc/14/57/53/939145753.db2.gz JCJRBSBSUMIMHX-UWVGGRQHSA-N 1 0 268.292 1.658 20 5 CDBDRO Cc1c(F)cc([N+](=O)[O-])cc1N[C@@H]1COC[C@@H]1[NH3+] ZINC001162926629 939162884 /nfs/dbraw/zinc/16/28/84/939162884.db2.gz XPEQIWFEWSDZHH-GXSJLCMTSA-N 1 0 255.249 1.180 20 5 CDBDRO COc1ncnc(N[C@H](C[NH3+])c2ccccc2)c1[N+](=O)[O-] ZINC001163294361 939241852 /nfs/dbraw/zinc/24/18/52/939241852.db2.gz OMGATKHOXOYGSY-SNVBAGLBSA-N 1 0 289.295 1.505 20 5 CDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1NCC1([NH3+])CCC1 ZINC001163326775 939248119 /nfs/dbraw/zinc/24/81/19/939248119.db2.gz KMPUDELTTHZLQY-UHFFFAOYSA-N 1 0 294.311 1.460 20 5 CDBDRO COc1cccc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)c1[N+](=O)[O-] ZINC001163342290 939251493 /nfs/dbraw/zinc/25/14/93/939251493.db2.gz GNBCJCVTEKNXOP-NRUUGDAUSA-N 1 0 279.296 1.145 20 5 CDBDRO CC(C)OC(=O)[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001163402645 939263391 /nfs/dbraw/zinc/26/33/91/939263391.db2.gz XNFZFONAEXXOEM-VIFPVBQESA-N 1 0 293.323 1.950 20 5 CDBDRO C[C@@H]1CC[C@H](C[NH3+])N(c2cccc([N+](=O)[O-])n2)C1 ZINC001164070952 939404864 /nfs/dbraw/zinc/40/48/64/939404864.db2.gz QVMQHXNAMGDZTI-NXEZZACHSA-N 1 0 250.302 1.553 20 5 CDBDRO C[C@@H]1CC[C@H](C[NH3+])N(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001164072212 939405865 /nfs/dbraw/zinc/40/58/65/939405865.db2.gz YAJLQKDLOAQXMJ-RKDXNWHRSA-N 1 0 295.299 1.462 20 5 CDBDRO C[C@@]1(C[NH3+])CCCN(c2nc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001164242955 939439981 /nfs/dbraw/zinc/43/99/81/939439981.db2.gz VIUKJGSSVWAGDU-GFCCVEGCSA-N 1 0 299.762 1.994 20 5 CDBDRO CN(C)c1ccc(N2CC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001164286159 939446790 /nfs/dbraw/zinc/44/67/90/939446790.db2.gz HHCRCRVQQHVBGD-VIFPVBQESA-N 1 0 250.302 1.198 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]3[NH2+]C[C@H]32)c(F)c1 ZINC001165388680 939556718 /nfs/dbraw/zinc/55/67/18/939556718.db2.gz CRNQSOOXLILQNR-NXEZZACHSA-N 1 0 252.249 1.070 20 5 CDBDRO CCOc1nc(N2CCC[C@H]3[NH2+]C[C@H]32)ccc1[N+](=O)[O-] ZINC001165395208 939558359 /nfs/dbraw/zinc/55/83/59/939558359.db2.gz UHCZPXKFARKQEY-MWLCHTKSSA-N 1 0 278.312 1.329 20 5 CDBDRO CC[N@@H+]1CCCN(c2nc(Cl)nc(C)c2[N+](=O)[O-])CC1 ZINC000307895573 940967978 /nfs/dbraw/zinc/96/79/78/940967978.db2.gz JUJSLGBCJUDQHS-UHFFFAOYSA-N 1 0 299.762 1.879 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1ccc(N)c([N+](=O)[O-])c1 ZINC001218425156 941216122 /nfs/dbraw/zinc/21/61/22/941216122.db2.gz QTYVRGQEWNAQOI-UFBFGSQYSA-N 1 0 251.286 1.554 20 5 CDBDRO CC1(C)CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000720707075 941294111 /nfs/dbraw/zinc/29/41/11/941294111.db2.gz UWDCJVYTGDOYGB-LLVKDONJSA-N 1 0 263.297 1.404 20 5 CDBDRO C[NH2+]CCC(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2 ZINC001219255938 941323637 /nfs/dbraw/zinc/32/36/37/941323637.db2.gz NRARLLCXAIIUTL-UHFFFAOYSA-N 1 0 295.342 1.938 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ccsc1 ZINC001223337689 941671066 /nfs/dbraw/zinc/67/10/66/941671066.db2.gz BWBGHMAGPJIPDO-LLVKDONJSA-N 1 0 258.363 1.249 20 5 CDBDRO COC(=O)c1ccc(OCCO[C@@H](C)C[N+](C)(C)C)cc1 ZINC001224424414 941753362 /nfs/dbraw/zinc/75/33/62/941753362.db2.gz HQBIFSSITYQCRJ-ZDUSSCGKSA-N 1 0 296.387 1.963 20 5 CDBDRO C[C@H](C[NH+](C)C)OCC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC001224987248 941811744 /nfs/dbraw/zinc/81/17/44/941811744.db2.gz OXJXISKKDUIFAE-LLVKDONJSA-N 1 0 296.323 1.605 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nccc2ccccc21 ZINC001225744501 941907747 /nfs/dbraw/zinc/90/77/47/941907747.db2.gz IQPAJZVIVGVDQM-CYBMUJFWSA-N 1 0 289.355 1.597 20 5 CDBDRO C[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226168840 941962518 /nfs/dbraw/zinc/96/25/18/941962518.db2.gz VLBHIPWLNKKLJR-JTQLQIEISA-N 1 0 279.296 1.167 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ncncc1Br ZINC001226569112 942028020 /nfs/dbraw/zinc/02/80/20/942028020.db2.gz VLZCEIGQYIKTBT-QMMMGPOBSA-N 1 0 275.170 1.713 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOc2nc(C)ccc2[N+](=O)[O-])C1 ZINC001227063929 942125595 /nfs/dbraw/zinc/12/55/95/942125595.db2.gz IXVSZYVEIFBQPR-LLVKDONJSA-N 1 0 281.312 1.398 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2ccc(C)nc2[N+](=O)[O-])C1 ZINC001227222599 942151982 /nfs/dbraw/zinc/15/19/82/942151982.db2.gz SGUDKNZNHWZVOE-SNVBAGLBSA-N 1 0 251.286 1.771 20 5 CDBDRO Cc1cnc(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2N3C)c([N+](=O)[O-])c1 ZINC001227234315 942154255 /nfs/dbraw/zinc/15/42/55/942154255.db2.gz GDPHOIDGRSLJFT-UFGOTCBOSA-N 1 0 291.307 1.481 20 5 CDBDRO Cc1nc(Cl)nc(O[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001227334634 942166605 /nfs/dbraw/zinc/16/66/05/942166605.db2.gz NWSXAMDNMBQLAV-QMMMGPOBSA-N 1 0 286.719 1.820 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(O[C@@H]3C[NH+]4CCC3CC4)nc2c1 ZINC001227747216 942217255 /nfs/dbraw/zinc/21/72/55/942217255.db2.gz YQKACCBKZGAONQ-CYBMUJFWSA-N 1 0 288.307 1.944 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ncncc2[N+](=O)[O-])C1 ZINC001228656124 942348906 /nfs/dbraw/zinc/34/89/06/942348906.db2.gz ZQWQZWSAQBQOMB-SNVBAGLBSA-N 1 0 266.301 1.636 20 5 CDBDRO COc1cc(/C=C\C(N)=O)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001229497168 942481625 /nfs/dbraw/zinc/48/16/25/942481625.db2.gz KUKSIJPFKMCPFN-UPZNUWHASA-O 1 0 293.387 1.667 20 5 CDBDRO COC(=O)c1ccc(Cl)c(O[C@H](C)C[N+](C)(C)C)n1 ZINC001230342961 942609728 /nfs/dbraw/zinc/60/97/28/942609728.db2.gz LUTHLZYKCWNROJ-SECBINFHSA-N 1 0 287.767 1.995 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(O[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001230491678 942625005 /nfs/dbraw/zinc/62/50/05/942625005.db2.gz ZULCERZXKWNMMI-SECBINFHSA-N 1 0 281.268 1.894 20 5 CDBDRO C[C@@H](C[NH+](C)C)Oc1ncnc2cccc([N+](=O)[O-])c21 ZINC001231053820 942769321 /nfs/dbraw/zinc/76/93/21/942769321.db2.gz VHSUURDBBLKUCA-VIFPVBQESA-N 1 0 276.296 1.867 20 5 CDBDRO CCc1ccc(O)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001233582297 943620979 /nfs/dbraw/zinc/62/09/79/943620979.db2.gz XTFVODCZFUGXJX-GFCCVEGCSA-O 1 0 282.360 1.317 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 ZINC001233707149 943644965 /nfs/dbraw/zinc/64/49/65/943644965.db2.gz HNXDKSOUBLWXFI-VIFPVBQESA-N 1 0 284.292 1.977 20 5 CDBDRO C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC001263236365 943798331 /nfs/dbraw/zinc/79/83/31/943798331.db2.gz LKSQRQJNRXFVLL-NQBHXWOUSA-N 1 0 291.351 1.813 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC001261490180 946140679 /nfs/dbraw/zinc/14/06/79/946140679.db2.gz NMQTUKZTCIEZLW-JTQLQIEISA-N 1 0 292.339 1.366 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(CCO)COC1 ZINC001254536072 947516607 /nfs/dbraw/zinc/51/66/07/947516607.db2.gz AFJJGJCEJVJGLA-NSHDSACASA-N 1 0 280.324 1.267 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC001254539848 947518416 /nfs/dbraw/zinc/51/84/16/947518416.db2.gz KQBLWJAXRKFISS-VXGBXAGGSA-N 1 0 291.351 1.594 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1CO ZINC001254552322 947520596 /nfs/dbraw/zinc/52/05/96/947520596.db2.gz KWNQTACBNSWNPH-DGCLKSJQSA-N 1 0 264.325 1.983 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCNC(=O)C1 ZINC001254548865 947522312 /nfs/dbraw/zinc/52/23/12/947522312.db2.gz NCLYSWPFIVEQSB-YPMHNXCESA-N 1 0 291.351 1.784 20 5 CDBDRO CC[C@@H](CO)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254564851 947527718 /nfs/dbraw/zinc/52/77/18/947527718.db2.gz AXPCQJQPIRUZTJ-RYUDHWBXSA-N 1 0 250.298 1.423 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccon1)C2 ZINC001254572339 947532676 /nfs/dbraw/zinc/53/26/76/947532676.db2.gz LDYQMHULBQPBHI-LBPRGKRZSA-N 1 0 259.265 1.840 20 5 CDBDRO CC(C)C[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254574527 947533855 /nfs/dbraw/zinc/53/38/55/947533855.db2.gz IBAJXDXXHCHUJN-GXTWGEPZSA-N 1 0 291.351 1.552 20 5 CDBDRO COC(=O)CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254574149 947533975 /nfs/dbraw/zinc/53/39/75/947533975.db2.gz GMAJULWBOAABCX-NSHDSACASA-N 1 0 264.281 1.215 20 5 CDBDRO O=C(C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254577919 947534898 /nfs/dbraw/zinc/53/48/98/947534898.db2.gz HVKJJFJZNAVWRJ-AWEZNQCLSA-N 1 0 297.314 1.930 20 5 CDBDRO CCOC(=O)C[C@H](C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254584156 947541232 /nfs/dbraw/zinc/54/12/32/947541232.db2.gz QPYYFFQRYYTZHF-GXFFZTMASA-N 1 0 292.335 1.993 20 5 CDBDRO C[C@]1(O)COCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254592075 947542068 /nfs/dbraw/zinc/54/20/68/947542068.db2.gz AERVCTRNOBYLDK-LSDHHAIUSA-N 1 0 292.335 1.145 20 5 CDBDRO C[C@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1O ZINC001254592745 947543361 /nfs/dbraw/zinc/54/33/61/947543361.db2.gz GJLAOLNOVYWSSD-CUOATXAZSA-N 1 0 262.309 1.375 20 5 CDBDRO O=C1CCC[C@H](C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)N1 ZINC001254597930 947547838 /nfs/dbraw/zinc/54/78/38/947547838.db2.gz JLWZIUMHOHYXTC-OLZOCXBDSA-N 1 0 289.335 1.320 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC3(C1)OCCO3)C2 ZINC001254600744 947551320 /nfs/dbraw/zinc/55/13/20/947551320.db2.gz QZVGPJCIYZVEMM-AWEZNQCLSA-N 1 0 290.319 1.511 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@](C)([NH3+])C1 ZINC001246533293 948235634 /nfs/dbraw/zinc/23/56/34/948235634.db2.gz CTWICCDXJTWERA-BXUZGUMPSA-N 1 0 263.341 1.949 20 5 CDBDRO N[C@]1(C(F)(F)F)CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246565440 948281487 /nfs/dbraw/zinc/28/14/87/948281487.db2.gz CANLKEXNCRGTHQ-KXUCPTDWSA-N 1 0 281.278 1.397 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C[C@@H]2CC[NH2+]C2)n1 ZINC001248321765 949019278 /nfs/dbraw/zinc/01/92/78/949019278.db2.gz ZJHYIPBTKPMLCS-ZETCQYMHSA-N 1 0 293.258 1.331 20 5 CDBDRO C[C@@H]([NH2+]C1CC1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326340987 954332160 /nfs/dbraw/zinc/33/21/60/954332160.db2.gz PSYAINUWFSZHMO-SECBINFHSA-N 1 0 275.308 1.578 20 5 CDBDRO CC(C)(O)[C@@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001307537898 956417426 /nfs/dbraw/zinc/41/74/26/956417426.db2.gz MZDAIXQKTNBJKD-AWEZNQCLSA-N 1 0 294.351 1.691 20 5 CDBDRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001308930908 956600053 /nfs/dbraw/zinc/60/00/53/956600053.db2.gz MSVVPJMRZLWBKG-RDBQEKCUSA-N 1 0 298.339 1.002 20 5 CDBDRO COc1c(O)ccc(C[NH2+]CCOC2CCC2)c1[N+](=O)[O-] ZINC001336735346 960522717 /nfs/dbraw/zinc/52/27/17/960522717.db2.gz NFSLZXQOLWGGCX-UHFFFAOYSA-N 1 0 296.323 1.968 20 5 CDBDRO C[C@@H](Nc1ccc([N+](=O)[O-])s1)[C@@H]1CN(C)CCN1C ZINC001337266816 961068690 /nfs/dbraw/zinc/06/86/90/961068690.db2.gz GEKXHOUGOWEJBW-ZJUUUORDSA-N 1 0 284.385 1.703 20 5 CDBDRO O=C(NCC[C@H]1CSCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC001341149847 963299143 /nfs/dbraw/zinc/29/91/43/963299143.db2.gz RBUSBHKYAULXOS-NSHDSACASA-N 1 0 295.364 1.420 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341750630 963529949 /nfs/dbraw/zinc/52/99/49/963529949.db2.gz HFMPSTLMKUEBPP-JFUSQASVSA-N 1 0 263.297 1.162 20 5 CDBDRO C[C@H](NC(=O)[C@]1(C)CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001342588051 963771637 /nfs/dbraw/zinc/77/16/37/963771637.db2.gz CHHRHZOOYCSCIG-IINYFYTJSA-N 1 0 277.324 1.772 20 5 CDBDRO Cc1cc(NC(=O)CC2(C[NH3+])CC2)cc([N+](=O)[O-])c1 ZINC001342897747 963852507 /nfs/dbraw/zinc/85/25/07/963852507.db2.gz NDMSVBDZUZXPRQ-UHFFFAOYSA-N 1 0 263.297 1.971 20 5 CDBDRO COCC[N@H+](C)CCCNc1c(C)cncc1[N+](=O)[O-] ZINC001346019294 964890345 /nfs/dbraw/zinc/89/03/45/964890345.db2.gz ZPHFYEJQJDVDKO-UHFFFAOYSA-N 1 0 282.344 1.100 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001349151767 966276242 /nfs/dbraw/zinc/27/62/42/966276242.db2.gz BKMKTSCJTOZTOO-LLVKDONJSA-N 1 0 279.340 1.939 20 5 CDBDRO C[C@H](COC(=O)Cn1cc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000847961614 968430588 /nfs/dbraw/zinc/43/05/88/968430588.db2.gz ZJFAYKDVNPAZFC-LLVKDONJSA-N 1 0 296.327 1.209 20 5 CDBDRO CO[C@H](C)[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001357127106 969536619 /nfs/dbraw/zinc/53/66/19/969536619.db2.gz SVECBMPDSBAEIW-CWSCBRNRSA-N 1 0 268.313 1.641 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCn2ccnc2)cc1 ZINC000105909054 1163694825 /nfs/dbraw/zinc/69/48/25/1163694825.db2.gz BTJHEKGQCRONNO-ZDUSSCGKSA-N 1 0 276.296 1.115 20 5 CDBDRO C[C@H](NC[C@@]1(O)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC001573571580 1170695412 /nfs/dbraw/zinc/69/54/12/1170695412.db2.gz JOTFWADVNGGUTB-SMDDNHRTSA-N 1 0 279.340 1.360 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000586759886 342467017 /nfs/dbraw/zinc/46/70/17/342467017.db2.gz DIIBJWITVOBYIK-JTQLQIEISA-N 1 0 293.327 1.018 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1NCC[N@H+]1CC[C@@H](O)C1)CCN2 ZINC000599175478 343976139 /nfs/dbraw/zinc/97/61/39/343976139.db2.gz CQHHBPYPLHHFJL-SNVBAGLBSA-N 1 0 292.339 1.041 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000601292116 342549654 /nfs/dbraw/zinc/54/96/54/342549654.db2.gz SDBALAKOYFRCHE-FXAINCCUSA-N 1 0 252.270 1.005 20 5 CDBDRO COCc1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000599199820 343979901 /nfs/dbraw/zinc/97/99/01/343979901.db2.gz RJKAVNHOVVWTMP-ZDUSSCGKSA-N 1 0 295.339 1.220 20 5 CDBDRO C[C@H]([NH2+][C@@H]1COCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000601303207 342550941 /nfs/dbraw/zinc/55/09/41/342550941.db2.gz AHUYFKGLISHYKL-ZWKOPEQDSA-N 1 0 266.297 1.395 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1COCC[C@H]1O)CCC2 ZINC000601306494 342551269 /nfs/dbraw/zinc/55/12/69/342551269.db2.gz KCDWKJHWMMGQON-RRFJBIMHSA-N 1 0 292.335 1.712 20 5 CDBDRO Cc1c(Br)c(=O)n(C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000564927779 365531940 /nfs/dbraw/zinc/53/19/40/365531940.db2.gz XNZNMSJCQDXGQY-RXMQYKEDSA-N 1 0 290.117 1.175 20 5 CDBDRO [NH3+]CC[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000070170050 361739614 /nfs/dbraw/zinc/73/96/14/361739614.db2.gz DFPUTHGFJQREHN-CYBMUJFWSA-N 1 0 291.351 1.725 20 5 CDBDRO CNC(=O)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000070183882 361763616 /nfs/dbraw/zinc/76/36/16/361763616.db2.gz KQVGKHLZIZOZJF-UHFFFAOYSA-N 1 0 251.286 1.211 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000590602658 342577894 /nfs/dbraw/zinc/57/78/94/342577894.db2.gz MSZVGERADGMDJC-AWEZNQCLSA-N 1 0 295.383 1.728 20 5 CDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000600313463 342086301 /nfs/dbraw/zinc/08/63/01/342086301.db2.gz XMHVIEORRMDBMK-SNVBAGLBSA-N 1 0 280.328 1.385 20 5 CDBDRO CCC[NH+]1CCC(N(C)c2c([N+](=O)[O-])ncn2C)CC1 ZINC000354698175 365631980 /nfs/dbraw/zinc/63/19/80/365631980.db2.gz XYWURMCIGURQLH-UHFFFAOYSA-N 1 0 281.360 1.639 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3CC[NH2+][C@@H]3C2)n1 ZINC000591437740 342631846 /nfs/dbraw/zinc/63/18/46/342631846.db2.gz JWICHNBDMAMDDU-VXGBXAGGSA-N 1 0 276.340 1.795 20 5 CDBDRO Cc1nn(C)c(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000591444688 342632571 /nfs/dbraw/zinc/63/25/71/342632571.db2.gz FELBPRMLUTXCQA-RYUDHWBXSA-N 1 0 293.371 1.463 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591448496 342632812 /nfs/dbraw/zinc/63/28/12/342632812.db2.gz JICOBQYZYLZKFQ-GXFFZTMASA-N 1 0 279.315 1.918 20 5 CDBDRO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H](O)C1CC1 ZINC000083688739 342146718 /nfs/dbraw/zinc/14/67/18/342146718.db2.gz KFDCTKDAOXWPLJ-GFCCVEGCSA-N 1 0 291.307 1.939 20 5 CDBDRO COC1(CO)CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000401741556 342652604 /nfs/dbraw/zinc/65/26/04/342652604.db2.gz HETLOCHSNRYFSN-UHFFFAOYSA-N 1 0 294.351 1.611 20 5 CDBDRO CC1(C)C[NH2+][C@@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000591668579 342641220 /nfs/dbraw/zinc/64/12/20/342641220.db2.gz HJBACQUIOBYALJ-GFCCVEGCSA-N 1 0 277.324 1.252 20 5 CDBDRO C[C@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CO1 ZINC000592366048 342689162 /nfs/dbraw/zinc/68/91/62/342689162.db2.gz OTCJJUTZQIWNMM-JQWIXIFHSA-N 1 0 250.298 1.904 20 5 CDBDRO O=[N+]([O-])c1cccc(Cc2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000592357192 342688328 /nfs/dbraw/zinc/68/83/28/342688328.db2.gz TVWAGWUFHVJASF-NSHDSACASA-N 1 0 274.280 1.993 20 5 CDBDRO CC(C)Cn1nccc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000592366119 342689615 /nfs/dbraw/zinc/68/96/15/342689615.db2.gz XPLLJRRVQKASRB-UHFFFAOYSA-N 1 0 292.343 1.434 20 5 CDBDRO C[C@@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000592489212 342696096 /nfs/dbraw/zinc/69/60/96/342696096.db2.gz JUNQMUNEAYOGIQ-KMLBCRHOSA-N 1 0 275.308 1.237 20 5 CDBDRO CN(CCC[NH3+])Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000592473894 342698764 /nfs/dbraw/zinc/69/87/64/342698764.db2.gz SYHRKPUICXSIIF-UHFFFAOYSA-N 1 0 291.311 1.425 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592544669 342708796 /nfs/dbraw/zinc/70/87/96/342708796.db2.gz GDMLQLFBUDNYGT-NXEZZACHSA-N 1 0 292.339 1.376 20 5 CDBDRO C[C@@H]1[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H](C)C[N@@H+]1C ZINC000593188196 342776263 /nfs/dbraw/zinc/77/62/63/342776263.db2.gz YNWFADNVVCWSAV-AXFHLTTASA-N 1 0 294.355 1.486 20 5 CDBDRO Cc1c(CNC(=O)[C@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000593905959 342854686 /nfs/dbraw/zinc/85/46/86/342854686.db2.gz DXDKHOQIGTWMOG-LBPRGKRZSA-N 1 0 291.351 1.909 20 5 CDBDRO CN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000209215684 342226282 /nfs/dbraw/zinc/22/62/82/342226282.db2.gz YOVKHNAWMZTQSV-SREVYHEPSA-N 1 0 289.335 1.818 20 5 CDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1COCCN1 ZINC000600677947 342241833 /nfs/dbraw/zinc/24/18/33/342241833.db2.gz LSWAARQDTXZDSX-TZMCWYRMSA-N 1 0 293.367 1.494 20 5 CDBDRO C[NH2+]C1(CNC(=O)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000600824099 342251425 /nfs/dbraw/zinc/25/14/25/342251425.db2.gz KDKGOVCPNLGCMI-UHFFFAOYSA-N 1 0 277.324 1.396 20 5 CDBDRO C[C@@]1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000125644568 187194532 /nfs/dbraw/zinc/19/45/32/187194532.db2.gz IEXQJZMADLZFHE-OAHLLOKOSA-N 1 0 291.351 1.643 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cn1 ZINC000594719106 342947967 /nfs/dbraw/zinc/94/79/67/342947967.db2.gz XEFPGXQNOUWBMS-CHWSQXEVSA-N 1 0 292.339 1.025 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CNc3ccnn3C2)cc1 ZINC000609406125 342293065 /nfs/dbraw/zinc/29/30/65/342293065.db2.gz NZYDNRSDQQDDFR-GFCCVEGCSA-N 1 0 287.323 1.623 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@]1(O)CCOC1 ZINC000595036582 342997906 /nfs/dbraw/zinc/99/79/06/342997906.db2.gz SFQITFSYCDYJSS-IINYFYTJSA-N 1 0 296.323 1.405 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000595229076 343009248 /nfs/dbraw/zinc/00/92/48/343009248.db2.gz QALKESQFZNBFKH-MRVPVSSYSA-N 1 0 282.300 1.333 20 5 CDBDRO C[C@@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000595228687 343009266 /nfs/dbraw/zinc/00/92/66/343009266.db2.gz GSVGKSNSZGBNMS-RISCZKNCSA-N 1 0 291.351 1.723 20 5 CDBDRO CC(C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000595253010 343011439 /nfs/dbraw/zinc/01/14/39/343011439.db2.gz KUONOIHMSAEMKV-UHFFFAOYSA-N 1 0 277.324 1.478 20 5 CDBDRO Cc1noc(C[NH2+][C@@H](CO)C2CCCCC2)c1[N+](=O)[O-] ZINC000595432394 343058876 /nfs/dbraw/zinc/05/88/76/343058876.db2.gz USQPPDCNAOBVHQ-NSHDSACASA-N 1 0 283.328 1.922 20 5 CDBDRO CC[C@H](CO)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595508396 343080727 /nfs/dbraw/zinc/08/07/27/343080727.db2.gz XFGHDKJJQXQCNA-LLVKDONJSA-N 1 0 256.277 1.937 20 5 CDBDRO CC[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515166479 362084443 /nfs/dbraw/zinc/08/44/43/362084443.db2.gz RCNATGDGBNATQS-YRGRVCCFSA-N 1 0 296.371 1.568 20 5 CDBDRO CC[C@@H]1CC[C@@H](C)[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595785815 343155672 /nfs/dbraw/zinc/15/56/72/343155672.db2.gz ZURZCNPVDKUOFG-BZPMIXESSA-N 1 0 296.371 1.663 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000595962435 343197214 /nfs/dbraw/zinc/19/72/14/343197214.db2.gz RKFSJTGEDZEKNA-UHFFFAOYSA-N 1 0 297.380 1.883 20 5 CDBDRO C[C@@H]1C[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000596145125 343243204 /nfs/dbraw/zinc/24/32/04/343243204.db2.gz GUYSTPGVPSNPIL-BDAKNGLRSA-N 1 0 266.301 1.590 20 5 CDBDRO C[C@H]1C[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000596145127 343243239 /nfs/dbraw/zinc/24/32/39/343243239.db2.gz GUYSTPGVPSNPIL-IUCAKERBSA-N 1 0 266.301 1.590 20 5 CDBDRO C[N@H+]1CC=C(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596184409 343251034 /nfs/dbraw/zinc/25/10/34/343251034.db2.gz GPAYGKKVXCJRNN-UHFFFAOYSA-N 1 0 290.323 1.368 20 5 CDBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)C[NH+](C)C ZINC000596238407 343283570 /nfs/dbraw/zinc/28/35/70/343283570.db2.gz RUXLJKNSHGLTHE-SECBINFHSA-N 1 0 280.328 1.303 20 5 CDBDRO Cc1nc(NCC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596430149 343319318 /nfs/dbraw/zinc/31/93/18/343319318.db2.gz JQZAHEGRCHCYKT-SECBINFHSA-N 1 0 252.318 1.472 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596334502 343297648 /nfs/dbraw/zinc/29/76/48/343297648.db2.gz ANJRKKBIFYZKRG-VIFPVBQESA-N 1 0 280.328 1.980 20 5 CDBDRO Cc1c([C@@H](C)[NH2+]C[C@@]2(O)CCOC2)cccc1[N+](=O)[O-] ZINC000090848499 342397567 /nfs/dbraw/zinc/39/75/67/342397567.db2.gz GZUMDJTWDBLLTP-RISCZKNCSA-N 1 0 280.324 1.705 20 5 CDBDRO C[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])[NH+](C)C ZINC000600994782 342442598 /nfs/dbraw/zinc/44/25/98/342442598.db2.gz HIPMCVQAKCRRCH-QMMMGPOBSA-N 1 0 269.276 1.414 20 5 CDBDRO C[C@@H](CCNC(=O)CCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000597992969 343683133 /nfs/dbraw/zinc/68/31/33/343683133.db2.gz QHMMOTGLQGFRDJ-LBPRGKRZSA-N 1 0 293.367 1.984 20 5 CDBDRO C[C@@H](CCNC(=O)CNc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000597993945 343683648 /nfs/dbraw/zinc/68/36/48/343683648.db2.gz WJHGPRZFEJSROH-NSHDSACASA-N 1 0 294.355 1.463 20 5 CDBDRO Cc1c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000160976696 346975602 /nfs/dbraw/zinc/97/56/02/346975602.db2.gz NNMJQTHSWWWRNV-QWRGUYRKSA-N 1 0 277.324 1.903 20 5 CDBDRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000598680425 343863783 /nfs/dbraw/zinc/86/37/83/343863783.db2.gz BOVXBAYCDVHSNN-TZMCWYRMSA-N 1 0 261.325 1.908 20 5 CDBDRO COc1ccc(CN2C[C@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598681779 343864351 /nfs/dbraw/zinc/86/43/51/343864351.db2.gz JMSLBNLDLSPSHL-DOMZBBRYSA-N 1 0 291.351 1.917 20 5 CDBDRO COc1cc(C[NH2+][C@H]2C[C@H](OC)C2)c([N+](=O)[O-])cc1O ZINC000599015782 343944571 /nfs/dbraw/zinc/94/45/71/343944571.db2.gz PCJOIMZZKHXVMY-MGCOHNPYSA-N 1 0 282.296 1.576 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915490 343919552 /nfs/dbraw/zinc/91/95/52/343919552.db2.gz MVJGEHJZTGEKPR-UHFFFAOYSA-N 1 0 270.264 1.593 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[NH2+]CC1 ZINC000598916649 343920631 /nfs/dbraw/zinc/92/06/31/343920631.db2.gz IGUKDJNQPMIWFO-UHFFFAOYSA-N 1 0 268.248 1.171 20 5 CDBDRO CCN(CC[NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000599908691 344154157 /nfs/dbraw/zinc/15/41/57/344154157.db2.gz TYDHQIPTOXRINU-UHFFFAOYSA-N 1 0 280.328 1.128 20 5 CDBDRO CCc1ccc(C(=O)N2C[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000602597091 344503260 /nfs/dbraw/zinc/50/32/60/344503260.db2.gz UOEGHVUBTUQPTI-JOYOIKCWSA-N 1 0 277.324 1.719 20 5 CDBDRO CCc1ccc(C(=O)N2C[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000602597092 344503333 /nfs/dbraw/zinc/50/33/33/344503333.db2.gz UOEGHVUBTUQPTI-SKDRFNHKSA-N 1 0 277.324 1.719 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000602598376 344503515 /nfs/dbraw/zinc/50/35/15/344503515.db2.gz HYUHJCHLHJKANN-CZMCAQCFSA-N 1 0 283.353 1.904 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000602492569 344450816 /nfs/dbraw/zinc/45/08/16/344450816.db2.gz MXBOIVFGAZMYNR-BDAKNGLRSA-N 1 0 281.287 1.604 20 5 CDBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1(CO)CC1 ZINC000602710237 344551962 /nfs/dbraw/zinc/55/19/62/344551962.db2.gz VYQLSDKPHPYLHE-LLVKDONJSA-N 1 0 264.325 1.888 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C/C=C/CO)CC2)cn1 ZINC000602712019 344552785 /nfs/dbraw/zinc/55/27/85/344552785.db2.gz WSUQHHZSYWAQMU-OWOJBTEDSA-N 1 0 292.339 1.097 20 5 CDBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602780778 344596354 /nfs/dbraw/zinc/59/63/54/344596354.db2.gz RTIOFZZNQLDDEM-STQMWFEESA-N 1 0 296.371 1.725 20 5 CDBDRO CNc1ccc(C(=O)NC[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000314226631 344910675 /nfs/dbraw/zinc/91/06/75/344910675.db2.gz VKPRVBWDHJFWJS-JTQLQIEISA-N 1 0 294.355 1.564 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000537610117 282374334 /nfs/dbraw/zinc/37/43/34/282374334.db2.gz DPTUMYVCPHMXLB-GXFFZTMASA-N 1 0 292.339 1.100 20 5 CDBDRO CCNC(=O)C(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000313077266 260243880 /nfs/dbraw/zinc/24/38/80/260243880.db2.gz RABFXNQPOQQKBW-UHFFFAOYSA-N 1 0 279.340 1.908 20 5 CDBDRO Nc1nc(NCCCCC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000292915365 362519407 /nfs/dbraw/zinc/51/94/07/362519407.db2.gz XWUWIZYUIHPACP-UHFFFAOYSA-N 1 0 294.359 1.645 20 5 CDBDRO C[C@H](NC(=O)CC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000084169256 178812942 /nfs/dbraw/zinc/81/29/42/178812942.db2.gz CIJYQALILYAYEA-VIFPVBQESA-N 1 0 265.313 1.899 20 5 CDBDRO Cc1c(C(=O)NC[C@H]([NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000129180175 362533231 /nfs/dbraw/zinc/53/32/31/362533231.db2.gz VMCRCCIVFRCGKM-NSHDSACASA-N 1 0 263.297 1.370 20 5 CDBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000293546483 362575198 /nfs/dbraw/zinc/57/51/98/362575198.db2.gz YPDZOWJQLZAHQD-RYUDHWBXSA-N 1 0 298.339 1.037 20 5 CDBDRO C[C@@](CO)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000610485060 346291166 /nfs/dbraw/zinc/29/11/66/346291166.db2.gz IYKWNQVTTSDWRB-AWEZNQCLSA-N 1 0 290.323 1.289 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000226770098 346522368 /nfs/dbraw/zinc/52/23/68/346522368.db2.gz OTYFRVJSNLVFFV-QMMMGPOBSA-N 1 0 268.342 1.948 20 5 CDBDRO CC(C)[N@H+](CCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000584596039 346495840 /nfs/dbraw/zinc/49/58/40/346495840.db2.gz JQXRZKAPJFWEAT-CYBMUJFWSA-N 1 0 268.313 1.331 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](OCC[NH+](C)C)C2)n1 ZINC000611132729 346617056 /nfs/dbraw/zinc/61/70/56/346617056.db2.gz DBDPMHUJNJEVGR-GFCCVEGCSA-N 1 0 294.355 1.455 20 5 CDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1ncccc1[N+](=O)[O-] ZINC000611299018 346741058 /nfs/dbraw/zinc/74/10/58/346741058.db2.gz IJIJFJWTXGARBX-NXEZZACHSA-N 1 0 250.302 1.519 20 5 CDBDRO COC[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000036722103 362870139 /nfs/dbraw/zinc/87/01/39/362870139.db2.gz HJANGGARJOOEHW-VIFPVBQESA-N 1 0 254.286 1.728 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]CC1 ZINC000036722198 362870175 /nfs/dbraw/zinc/87/01/75/362870175.db2.gz GBGHIRHDAIWFTG-UHFFFAOYSA-N 1 0 251.286 1.009 20 5 CDBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000129355215 362931583 /nfs/dbraw/zinc/93/15/83/362931583.db2.gz RLNOORODEVRWSN-RYUDHWBXSA-N 1 0 250.298 1.844 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H]3CCCO3)C2)nc1 ZINC000072665027 349128053 /nfs/dbraw/zinc/12/80/53/349128053.db2.gz CYCUINWRZBJZFE-AAEUAGOBSA-N 1 0 292.339 1.655 20 5 CDBDRO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC000273976833 192386739 /nfs/dbraw/zinc/38/67/39/192386739.db2.gz PZYLEYFFJMPLTE-IUCAKERBSA-N 1 0 263.301 1.422 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000090552191 180003128 /nfs/dbraw/zinc/00/31/28/180003128.db2.gz GIBQJJLUTWOYRJ-TXEJJXNPSA-N 1 0 277.324 1.488 20 5 CDBDRO [NH3+][C@H]1CC[C@@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000091543269 180184479 /nfs/dbraw/zinc/18/44/79/180184479.db2.gz KGUDWJGWAVVEOW-NEPJUHHUSA-N 1 0 277.324 1.381 20 5 CDBDRO [NH3+][C@@H]1CC[C@H](C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000091543831 180185034 /nfs/dbraw/zinc/18/50/34/180185034.db2.gz LLFHCYZOAYOZKP-GXSJLCMTSA-N 1 0 263.297 1.338 20 5 CDBDRO [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000091543828 180185097 /nfs/dbraw/zinc/18/50/97/180185097.db2.gz LLFHCYZOAYOZKP-KOLCDFICSA-N 1 0 263.297 1.338 20 5 CDBDRO O=[N+]([O-])c1cc2c(ncnc2NC2CC[NH2+]CC2)s1 ZINC000311326967 350671616 /nfs/dbraw/zinc/67/16/16/350671616.db2.gz BYENKLJPGTZXIX-UHFFFAOYSA-N 1 0 279.325 1.763 20 5 CDBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000092953219 351301413 /nfs/dbraw/zinc/30/14/13/351301413.db2.gz LLLNTMZZCISPNQ-SKDRFNHKSA-N 1 0 263.297 1.209 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000124781872 351371343 /nfs/dbraw/zinc/37/13/43/351371343.db2.gz YXFGOSPXTWKSKB-APPZFPTMSA-N 1 0 269.326 1.608 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000156140193 351452482 /nfs/dbraw/zinc/45/24/82/351452482.db2.gz RACJXCOUTQZRKG-ZJUUUORDSA-N 1 0 299.352 1.095 20 5 CDBDRO C[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000516389413 363088396 /nfs/dbraw/zinc/08/83/96/363088396.db2.gz TVUJKJNFOQDGAK-SECBINFHSA-N 1 0 283.353 1.870 20 5 CDBDRO C[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000122359082 187028777 /nfs/dbraw/zinc/02/87/77/187028777.db2.gz QHNJWGCKACOQPX-SNVBAGLBSA-N 1 0 295.343 1.168 20 5 CDBDRO C[NH2+][C@H]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000123185093 187076443 /nfs/dbraw/zinc/07/64/43/187076443.db2.gz VJYDGWFBARLFMH-NSHDSACASA-N 1 0 265.313 1.397 20 5 CDBDRO O=[N+]([O-])c1cc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000123513401 187096163 /nfs/dbraw/zinc/09/61/63/187096163.db2.gz WGJMYJUFMWWYSB-MNOVXSKESA-N 1 0 267.354 1.983 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000135214182 187807229 /nfs/dbraw/zinc/80/72/29/187807229.db2.gz WBIQPMXQTPZODW-LLVKDONJSA-N 1 0 263.297 1.337 20 5 CDBDRO COCC(C)(C)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000292133303 198176411 /nfs/dbraw/zinc/17/64/11/198176411.db2.gz LLWFELXBDHXADA-UHFFFAOYSA-N 1 0 295.339 1.551 20 5 CDBDRO CNC(=O)CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000154772909 188160858 /nfs/dbraw/zinc/16/08/58/188160858.db2.gz YDQVQFDWPZYCDX-UHFFFAOYSA-N 1 0 265.313 1.553 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H](C)[NH+](C)C)c1 ZINC000155805579 188228803 /nfs/dbraw/zinc/22/88/03/188228803.db2.gz IOGABYOFNOUYMR-SECBINFHSA-N 1 0 253.302 1.965 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158190753 188362856 /nfs/dbraw/zinc/36/28/56/188362856.db2.gz VOIXVNTYSMKGDQ-HNNXBMFYSA-N 1 0 289.335 1.729 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC000250973522 366114131 /nfs/dbraw/zinc/11/41/31/366114131.db2.gz FANVQKSICOJYMY-RYUDHWBXSA-N 1 0 292.339 1.573 20 5 CDBDRO C[C@H](CN1CCOCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000036932579 363293802 /nfs/dbraw/zinc/29/38/02/363293802.db2.gz VHRVLCYYTRHVLB-GFCCVEGCSA-N 1 0 279.340 1.405 20 5 CDBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000559043163 356081942 /nfs/dbraw/zinc/08/19/42/356081942.db2.gz GZMJTMSUMWMYQF-SNVBAGLBSA-N 1 0 293.327 1.065 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CC[NH3+] ZINC000336793151 356262323 /nfs/dbraw/zinc/26/23/23/356262323.db2.gz VPFLNGCONIFQGY-VIFPVBQESA-N 1 0 251.286 1.370 20 5 CDBDRO COC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)OC ZINC000336813922 356273051 /nfs/dbraw/zinc/27/30/51/356273051.db2.gz VWYIPSKXFJHRCW-NSHDSACASA-N 1 0 272.276 1.485 20 5 CDBDRO CCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000286408261 356292274 /nfs/dbraw/zinc/29/22/74/356292274.db2.gz HUZBELHHWANYLH-UHFFFAOYSA-N 1 0 295.343 1.312 20 5 CDBDRO CC(C)C[C@H]([NH3+])C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423829673 535315673 /nfs/dbraw/zinc/31/56/73/535315673.db2.gz SFROWOCPNMXIOU-LBPRGKRZSA-N 1 0 292.339 1.248 20 5 CDBDRO CC[N@@H+]1CC[C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000121590418 366281782 /nfs/dbraw/zinc/28/17/82/366281782.db2.gz BBJPJWJOGKMLFY-GFCCVEGCSA-N 1 0 291.351 1.595 20 5 CDBDRO CC(C)([NH3+])c1noc(COc2cccc([N+](=O)[O-])c2)n1 ZINC000043402653 356642352 /nfs/dbraw/zinc/64/23/52/356642352.db2.gz GEUFLCNGMAGTFP-UHFFFAOYSA-N 1 0 278.268 1.751 20 5 CDBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000047339109 357155235 /nfs/dbraw/zinc/15/52/35/357155235.db2.gz FAJBCMAOYARWKT-UHFFFAOYSA-N 1 0 279.340 1.912 20 5 CDBDRO COCC[C@H](CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000282381712 357340453 /nfs/dbraw/zinc/34/04/53/357340453.db2.gz XKRNDTCRDJBEAN-DIECRNLCSA-N 1 0 280.324 1.595 20 5 CDBDRO CN(CCOc1ccccc1[N+](=O)[O-])CC[N@H+](C)C1CC1 ZINC000186794236 357692127 /nfs/dbraw/zinc/69/21/27/357692127.db2.gz LMEPNNDZWQBYRF-UHFFFAOYSA-N 1 0 293.367 2.000 20 5 CDBDRO O=C(N[C@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000361099676 357800137 /nfs/dbraw/zinc/80/01/37/357800137.db2.gz WOQQKXPWZUXELW-STQMWFEESA-N 1 0 289.335 1.713 20 5 CDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ncccc1[N+](=O)[O-] ZINC000408068337 357803066 /nfs/dbraw/zinc/80/30/66/357803066.db2.gz TWSBIOMFILGDTR-UWVGGRQHSA-N 1 0 250.302 1.519 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000135213997 357782881 /nfs/dbraw/zinc/78/28/81/357782881.db2.gz JEYHYQQXBKILLO-VIFPVBQESA-N 1 0 267.260 1.168 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000262324501 357878610 /nfs/dbraw/zinc/87/86/10/357878610.db2.gz DBFJOEJCXRNXLA-SECBINFHSA-N 1 0 281.312 1.331 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)CN(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294441523 199040460 /nfs/dbraw/zinc/04/04/60/199040460.db2.gz VEVKCTXJGPCYNS-VHSXEESVSA-N 1 0 266.345 1.778 20 5 CDBDRO COc1cc(C[NH2+]C[C@H]2CC[C@H](O)C2)c([N+](=O)[O-])cc1O ZINC000188853757 357945141 /nfs/dbraw/zinc/94/51/41/357945141.db2.gz SOJRQIMTXZTXGJ-ONGXEEELSA-N 1 0 296.323 1.560 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1CCC[C@](F)(CO)C1 ZINC000287176568 358122396 /nfs/dbraw/zinc/12/23/96/358122396.db2.gz ZXIARCITBZBHJF-CYBMUJFWSA-N 1 0 268.288 1.891 20 5 CDBDRO CCCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000132664884 358574056 /nfs/dbraw/zinc/57/40/56/358574056.db2.gz VNACDVFCXTUFSJ-GFCCVEGCSA-N 1 0 295.314 1.948 20 5 CDBDRO CC[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCS1 ZINC000176285818 358785766 /nfs/dbraw/zinc/78/57/66/358785766.db2.gz NEDHHBZPLCVLAR-JTQLQIEISA-N 1 0 270.358 1.619 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@H]1CCC[NH2+]1 ZINC000042169316 358910037 /nfs/dbraw/zinc/91/00/37/358910037.db2.gz RREZTVWELVZJEZ-GFCCVEGCSA-N 1 0 277.324 1.695 20 5 CDBDRO [NH3+]C1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000051693933 283413448 /nfs/dbraw/zinc/41/34/48/283413448.db2.gz JWMWJLCKXVOMQT-UHFFFAOYSA-N 1 0 281.341 1.986 20 5 CDBDRO C[C@H]([NH3+])CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810254 359229895 /nfs/dbraw/zinc/22/98/95/359229895.db2.gz WHXBXXZUOJQASI-VIFPVBQESA-N 1 0 251.286 1.291 20 5 CDBDRO CCOC(=O)CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000050067253 359289921 /nfs/dbraw/zinc/28/99/21/359289921.db2.gz PBLWMHDUPAHCSA-UHFFFAOYSA-N 1 0 266.297 1.980 20 5 CDBDRO O=C1NCCC[C@H]1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000569806870 359263482 /nfs/dbraw/zinc/26/34/82/359263482.db2.gz IGBGZVSWKBHWGS-LBPRGKRZSA-N 1 0 289.335 1.479 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000153913073 237025444 /nfs/dbraw/zinc/02/54/44/237025444.db2.gz LGLZLSZGWVMHOE-IUCAKERBSA-N 1 0 278.312 1.121 20 5 CDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000153999851 237025839 /nfs/dbraw/zinc/02/58/39/237025839.db2.gz UPRMBZBSJVNYBU-CYBMUJFWSA-N 1 0 296.327 1.029 20 5 CDBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000165544398 283523165 /nfs/dbraw/zinc/52/31/65/283523165.db2.gz IEGVIJJLLNJOGG-VIFPVBQESA-N 1 0 299.714 1.048 20 5 CDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC[C@H]1CCC[NH2+]1 ZINC000166683333 360216878 /nfs/dbraw/zinc/21/68/78/360216878.db2.gz PLEHWPYTYYGNMU-OQHXTRMZSA-N 1 0 289.335 1.866 20 5 CDBDRO Nc1c(F)c(N2CC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000548121655 360278968 /nfs/dbraw/zinc/27/89/68/360278968.db2.gz IOOHEOOIERYJQR-JTQLQIEISA-N 1 0 294.330 1.991 20 5 CDBDRO [NH3+]C1(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000237981124 360310855 /nfs/dbraw/zinc/31/08/55/360310855.db2.gz PUOIHDDNFJJLGZ-UHFFFAOYSA-N 1 0 275.308 1.755 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NCCC[NH+]2CCC(O)CC2)n1 ZINC000178179318 189095589 /nfs/dbraw/zinc/09/55/89/189095589.db2.gz ABUVVTMGRHSLCG-UHFFFAOYSA-N 1 0 294.355 1.557 20 5 CDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1 ZINC000178340459 189108781 /nfs/dbraw/zinc/10/87/81/189108781.db2.gz MBOUTHPRDXDYMY-GFCCVEGCSA-N 1 0 280.324 1.942 20 5 CDBDRO [NH3+]C[C@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000178566198 189127662 /nfs/dbraw/zinc/12/76/62/189127662.db2.gz NSWOYCYRVCHHNG-SNVBAGLBSA-N 1 0 295.364 1.494 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000178986193 189159525 /nfs/dbraw/zinc/15/95/25/189159525.db2.gz ZXFXODKQFBTFLP-NSHDSACASA-N 1 0 293.323 1.042 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000248577378 361249536 /nfs/dbraw/zinc/24/95/36/361249536.db2.gz DTZKHGHKNUCWKY-RWMBFGLXSA-N 1 0 289.335 1.713 20 5 CDBDRO Cc1cc(NCC2CC[NH+](CCO)CC2)ncc1[N+](=O)[O-] ZINC000301455733 201014360 /nfs/dbraw/zinc/01/43/60/201014360.db2.gz WIPRDYYYNZBCCJ-UHFFFAOYSA-N 1 0 294.355 1.414 20 5 CDBDRO COc1ccc(C(=O)NC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000053253258 361403356 /nfs/dbraw/zinc/40/33/56/361403356.db2.gz ADXQZHNKEVSFGG-JTQLQIEISA-N 1 0 279.296 1.085 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[NH+](C)C ZINC000168611519 364003806 /nfs/dbraw/zinc/00/38/06/364003806.db2.gz VBJVSDOUWZHHRV-QMMMGPOBSA-N 1 0 285.731 1.928 20 5 CDBDRO C[C@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[NH+](C)C ZINC000037985613 363962452 /nfs/dbraw/zinc/96/24/52/363962452.db2.gz ISGRBULISBLQOB-MRVPVSSYSA-N 1 0 285.731 1.928 20 5 CDBDRO C[NH+](C)CC(C)(C)CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000042568275 364598475 /nfs/dbraw/zinc/59/84/75/364598475.db2.gz PWDPWOUNJFKMMF-UHFFFAOYSA-N 1 0 285.369 1.974 20 5 CDBDRO Cc1cc(C(=O)NC[C@H]2C[NH2+]CCCO2)ccc1[N+](=O)[O-] ZINC000389969959 364976405 /nfs/dbraw/zinc/97/64/05/364976405.db2.gz HKGVXSGHTHPYBJ-GFCCVEGCSA-N 1 0 293.323 1.012 20 5 CDBDRO C[NH+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000344592511 365023832 /nfs/dbraw/zinc/02/38/32/365023832.db2.gz PGTPAEXOKUJOPA-UHFFFAOYSA-N 1 0 280.328 1.337 20 5 CDBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(C)(C)O ZINC000270471611 366885600 /nfs/dbraw/zinc/88/56/00/366885600.db2.gz CKVBQQAKGIPIHO-UHFFFAOYSA-N 1 0 297.355 1.239 20 5 CDBDRO CC(C)(C(=O)N[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000275689811 193105688 /nfs/dbraw/zinc/10/56/88/193105688.db2.gz QQIYBTNCROPQMA-GFCCVEGCSA-N 1 0 291.351 1.741 20 5 CDBDRO CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000290256192 365456709 /nfs/dbraw/zinc/45/67/09/365456709.db2.gz URTMBMAFCNCQID-JKOKRWQUSA-N 1 0 280.324 1.968 20 5 CDBDRO CC[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000270827368 366935032 /nfs/dbraw/zinc/93/50/32/366935032.db2.gz CCEPHEFGYCCQRQ-JSGCOSHPSA-N 1 0 264.325 1.840 20 5 CDBDRO CO[C@@H](C[NH3+])CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000232115005 366952566 /nfs/dbraw/zinc/95/25/66/366952566.db2.gz OOLPRKJUWOBSJU-BXKDBHETSA-N 1 0 281.312 1.136 20 5 CDBDRO Cc1ccc(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000414496553 241231995 /nfs/dbraw/zinc/23/19/95/241231995.db2.gz IONVNINDOVJFCT-ZDUSSCGKSA-N 1 0 291.351 1.813 20 5 CDBDRO C[NH2+]CCN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000414648300 241296825 /nfs/dbraw/zinc/29/68/25/241296825.db2.gz AWBQUIMUIZVHAQ-UHFFFAOYSA-N 1 0 282.300 1.287 20 5 CDBDRO Cc1ccc(NC(=O)NC[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000414657946 241306337 /nfs/dbraw/zinc/30/63/37/241306337.db2.gz KUNYGTQAYIMCIY-NSHDSACASA-N 1 0 294.311 1.013 20 5 CDBDRO C[C@]1(F)C[NH2+]CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000414766267 241376100 /nfs/dbraw/zinc/37/61/00/241376100.db2.gz HJSYPTNQYDAYAQ-ZDUSSCGKSA-N 1 0 267.304 1.728 20 5 CDBDRO Cc1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000414791924 241390126 /nfs/dbraw/zinc/39/01/26/241390126.db2.gz RMJVNCJFMCMBLV-OCCSQVGLSA-N 1 0 261.325 1.697 20 5 CDBDRO C[NH+](C)C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000417165140 242344019 /nfs/dbraw/zinc/34/40/19/242344019.db2.gz VQUSFBWZLZWIMW-UHFFFAOYSA-N 1 0 296.302 1.950 20 5 CDBDRO C[C@H](NC(=O)N1CC[C@@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000418238074 242813137 /nfs/dbraw/zinc/81/31/37/242813137.db2.gz WQKMLMXZONFQCR-QWRGUYRKSA-N 1 0 292.339 1.646 20 5 CDBDRO C[C@@H]([NH2+]CCN1CCCOCC1)c1ccccc1[N+](=O)[O-] ZINC000361348037 368764093 /nfs/dbraw/zinc/76/40/93/368764093.db2.gz GPFHCLJLGZEVFX-CYBMUJFWSA-N 1 0 293.367 1.968 20 5 CDBDRO Cc1nc(N[C@H](C)[C@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000420156589 243893846 /nfs/dbraw/zinc/89/38/46/243893846.db2.gz FNHCHLFGXZEURA-SCZZXKLOSA-N 1 0 265.317 1.493 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000420294448 244037713 /nfs/dbraw/zinc/03/77/13/244037713.db2.gz ZHCIRSJGQUWOII-NXEZZACHSA-N 1 0 250.302 1.919 20 5 CDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@@H](C)C1 ZINC000420334576 244102507 /nfs/dbraw/zinc/10/25/07/244102507.db2.gz IZHUMQMHIXXBPV-QWRGUYRKSA-N 1 0 292.339 1.216 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000330888254 203355097 /nfs/dbraw/zinc/35/50/97/203355097.db2.gz GDGBOWNOUGOZBW-AAEUAGOBSA-N 1 0 291.351 1.736 20 5 CDBDRO CCN(CCC[NH+](C)C)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000276279332 193268365 /nfs/dbraw/zinc/26/83/65/193268365.db2.gz VELPKMWWMDAMNT-UHFFFAOYSA-N 1 0 283.332 1.040 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000266834971 296148559 /nfs/dbraw/zinc/14/85/59/296148559.db2.gz FITSQDJGHMSAAF-WDEREUQCSA-N 1 0 275.312 1.926 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000295276015 369844106 /nfs/dbraw/zinc/84/41/06/369844106.db2.gz SJVBSTYJKULXNS-QMMMGPOBSA-N 1 0 267.285 1.071 20 5 CDBDRO COc1cc(CNC[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000414820419 370335924 /nfs/dbraw/zinc/33/59/24/370335924.db2.gz AVKPTXHUYWGSTM-NSHDSACASA-N 1 0 295.339 1.454 20 5 CDBDRO [NH3+]CCCNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001580298591 1172396872 /nfs/dbraw/zinc/39/68/72/1172396872.db2.gz ODVABMHRHHKFPN-UHFFFAOYSA-N 1 0 256.237 1.204 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1([NH3+])CCC1 ZINC000422631489 245143384 /nfs/dbraw/zinc/14/33/84/245143384.db2.gz KALBFSXZBOBGNO-UHFFFAOYSA-N 1 0 277.324 1.823 20 5 CDBDRO Cc1c(CC(=O)N2CCCC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000422772868 245237247 /nfs/dbraw/zinc/23/72/47/245237247.db2.gz ZRMWDYJGLVLUAV-ZDUSSCGKSA-N 1 0 291.351 1.786 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000422779619 245246927 /nfs/dbraw/zinc/24/69/27/245246927.db2.gz GAZVTTJDXHVBIU-JTQLQIEISA-N 1 0 293.323 1.475 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000422839768 245319596 /nfs/dbraw/zinc/31/95/96/245319596.db2.gz RFKOVVDAXJOWRJ-JTQLQIEISA-N 1 0 293.323 1.427 20 5 CDBDRO [NH3+][C@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000203515313 371472575 /nfs/dbraw/zinc/47/25/75/371472575.db2.gz OWKFOGWZHCFMPO-QMMMGPOBSA-N 1 0 259.269 1.075 20 5 CDBDRO COCC[N@@H+]1CC[C@H](Nc2ncc(C)cc2[N+](=O)[O-])C1 ZINC000266240494 371591864 /nfs/dbraw/zinc/59/18/64/371591864.db2.gz WYBUIIIXCPPHIL-NSHDSACASA-N 1 0 280.328 1.431 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CC12CC[NH2+]CC2 ZINC000368212679 371905231 /nfs/dbraw/zinc/90/52/31/371905231.db2.gz ISAXFFGZZPHLTL-ZDUSSCGKSA-N 1 0 289.335 1.396 20 5 CDBDRO Cc1nc(N2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000229098135 372138591 /nfs/dbraw/zinc/13/85/91/372138591.db2.gz ZQFGUNZKQGELKE-ONGXEEELSA-N 1 0 264.329 1.719 20 5 CDBDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000352887049 296190548 /nfs/dbraw/zinc/19/05/48/296190548.db2.gz IXYXDCQZJWYUOV-NEPJUHHUSA-N 1 0 296.371 1.844 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NCC[NH+]2CCC(O)CC2)c1 ZINC000296063757 373106326 /nfs/dbraw/zinc/10/63/26/373106326.db2.gz RKOXXOXCVHSOOZ-UHFFFAOYSA-N 1 0 279.340 1.772 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1([NH3+])CCCC1 ZINC000037810271 373397690 /nfs/dbraw/zinc/39/76/90/373397690.db2.gz ITGCJHFJVCCZFC-UHFFFAOYSA-N 1 0 277.324 1.825 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000441618384 373715376 /nfs/dbraw/zinc/71/53/76/373715376.db2.gz XRAQLOZUBMDSBR-NXEZZACHSA-N 1 0 297.380 1.786 20 5 CDBDRO CCC[NH2+]CCNc1c([N+](=O)[O-])c(CC)nn1C ZINC000091561511 374040132 /nfs/dbraw/zinc/04/01/32/374040132.db2.gz IRSZGFUHWMAJPO-UHFFFAOYSA-N 1 0 255.322 1.302 20 5 CDBDRO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000078461583 374312724 /nfs/dbraw/zinc/31/27/24/374312724.db2.gz WCGFGTDZRFWNHT-OAHLLOKOSA-N 1 0 291.351 1.896 20 5 CDBDRO NC(=O)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000066388377 374321289 /nfs/dbraw/zinc/32/12/89/374321289.db2.gz AKOUNZRJNBTDBQ-OAHLLOKOSA-N 1 0 299.330 1.954 20 5 CDBDRO Cc1ccc(C(=O)N(C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000093873391 374345182 /nfs/dbraw/zinc/34/51/82/374345182.db2.gz XHLWQUGBVVOUDG-UHFFFAOYSA-N 1 0 279.340 1.960 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000422991282 374366838 /nfs/dbraw/zinc/36/68/38/374366838.db2.gz ASYBNHDSJONCKK-RISCZKNCSA-N 1 0 275.308 1.305 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C2CC[NH2+]CC2)n1 ZINC000423184670 374372657 /nfs/dbraw/zinc/37/26/57/374372657.db2.gz MQXIRWSDRLNLBJ-QWHCGFSZSA-N 1 0 293.371 1.617 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH3+])c1 ZINC000423453439 374383640 /nfs/dbraw/zinc/38/36/40/374383640.db2.gz KRJJYFRVKDMIME-SECBINFHSA-N 1 0 281.312 1.318 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)CC[NH3+] ZINC000423507908 374385150 /nfs/dbraw/zinc/38/51/50/374385150.db2.gz ISCZBQUZZAKFSI-SNVBAGLBSA-N 1 0 279.340 1.987 20 5 CDBDRO Cn1nc([N+](=O)[O-])cc1-c1nc(C2([NH3+])CCCCC2)no1 ZINC000424346658 374408704 /nfs/dbraw/zinc/40/87/04/374408704.db2.gz PSNKXEABWBBQSY-UHFFFAOYSA-N 1 0 292.299 1.496 20 5 CDBDRO C[NH+](C)CCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000081589061 374527412 /nfs/dbraw/zinc/52/74/12/374527412.db2.gz WWTDOVBJUPPMTF-UHFFFAOYSA-N 1 0 275.312 1.902 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000376467969 374559892 /nfs/dbraw/zinc/55/98/92/374559892.db2.gz ICYOAUHQUXVRAO-HNNXBMFYSA-N 1 0 292.335 1.820 20 5 CDBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000447840953 374717102 /nfs/dbraw/zinc/71/71/02/374717102.db2.gz VOCINVCSDAOKLO-VXGBXAGGSA-N 1 0 282.344 1.417 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000447903777 374722030 /nfs/dbraw/zinc/72/20/30/374722030.db2.gz IIGRBFNIIPBYEB-WCQYABFASA-N 1 0 266.297 1.224 20 5 CDBDRO COCC[NH2+]CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000095082283 374866265 /nfs/dbraw/zinc/86/62/65/374866265.db2.gz BFJOINWFOFEFKH-UHFFFAOYSA-N 1 0 267.285 1.078 20 5 CDBDRO C[C@H]1OCC[C@]12CN(Cc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000280291706 374990293 /nfs/dbraw/zinc/99/02/93/374990293.db2.gz FFQOTLMDIJZVBX-DOMZBBRYSA-N 1 0 292.335 1.975 20 5 CDBDRO CC1(C)CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1O ZINC000282383741 375084283 /nfs/dbraw/zinc/08/42/83/375084283.db2.gz DATXSUGKQHGKOL-GFCCVEGCSA-N 1 0 268.288 1.937 20 5 CDBDRO COCC[C@@H](CO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000281736964 375055610 /nfs/dbraw/zinc/05/56/10/375055610.db2.gz VFIREWYCSJZRHQ-SWLSCSKDSA-N 1 0 294.351 1.959 20 5 CDBDRO C[NH+](C)C1CN(c2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000302242792 375183488 /nfs/dbraw/zinc/18/34/88/375183488.db2.gz YRTSZDKAUUSGBV-UHFFFAOYSA-N 1 0 287.266 1.946 20 5 CDBDRO NC(=O)c1c[nH+]ccc1NCc1cccc([N+](=O)[O-])c1 ZINC000302218911 375179780 /nfs/dbraw/zinc/17/97/80/375179780.db2.gz LIAHSTPFYSHBBE-UHFFFAOYSA-N 1 0 272.264 1.701 20 5 CDBDRO CCCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000299636836 375188829 /nfs/dbraw/zinc/18/88/29/375188829.db2.gz JURAMBRHKJNJTA-UHFFFAOYSA-N 1 0 294.355 1.917 20 5 CDBDRO Cc1cc(C(=O)N[C@H](CC[NH3+])C(F)F)cc([N+](=O)[O-])c1 ZINC000383442357 375260009 /nfs/dbraw/zinc/26/00/09/375260009.db2.gz FNERKDSDSPWPMP-SNVBAGLBSA-N 1 0 287.266 1.616 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000162414853 375348079 /nfs/dbraw/zinc/34/80/79/375348079.db2.gz INJPDAJDELVXKD-GHMZBOCLSA-N 1 0 277.324 1.903 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000305166785 375562193 /nfs/dbraw/zinc/56/21/93/375562193.db2.gz HWZIAXUXUGYZPZ-HUUCEWRRSA-N 1 0 292.335 1.741 20 5 CDBDRO O=C(NCCCCC[NH+]1CCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000293993644 375569537 /nfs/dbraw/zinc/56/95/37/375569537.db2.gz SSTRTNWUCCFZAZ-UHFFFAOYSA-N 1 0 295.343 1.314 20 5 CDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)C1CC(O)C1 ZINC000353484575 375615849 /nfs/dbraw/zinc/61/58/49/375615849.db2.gz QTNNUZMXWCVMEG-ALXWSUNGSA-N 1 0 293.323 1.377 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNc1c([N+](=O)[O-])ncn1C ZINC000227920475 375648495 /nfs/dbraw/zinc/64/84/95/375648495.db2.gz AAVBVQTZXVPEQR-SECBINFHSA-N 1 0 255.322 1.471 20 5 CDBDRO C[NH+](C)C[C@](C)(O)CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000227930483 375650498 /nfs/dbraw/zinc/65/04/98/375650498.db2.gz DDFJQQQTIMZGRK-GFCCVEGCSA-N 1 0 287.747 1.973 20 5 CDBDRO C[NH+](C)CCn1cc(Nc2cccnc2[N+](=O)[O-])cn1 ZINC000604508572 375680860 /nfs/dbraw/zinc/68/08/60/375680860.db2.gz WNVDVUYCDPNJCP-UHFFFAOYSA-N 1 0 276.300 1.492 20 5 CDBDRO C[NH+](C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)C1CC1 ZINC000344972737 375685887 /nfs/dbraw/zinc/68/58/87/375685887.db2.gz DZFYDPZIEFWWRA-GFCCVEGCSA-N 1 0 292.339 1.247 20 5 CDBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000354524798 375720516 /nfs/dbraw/zinc/72/05/16/375720516.db2.gz CMTSIESBRMEMNC-LBPRGKRZSA-N 1 0 295.343 1.154 20 5 CDBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000355198254 375782316 /nfs/dbraw/zinc/78/23/16/375782316.db2.gz NJPOSSLTHNOIMW-BPJJOFIESA-N 1 0 275.308 1.428 20 5 CDBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cc([N+](=O)[O-])c[nH]1 ZINC000356337231 375835794 /nfs/dbraw/zinc/83/57/94/375835794.db2.gz KJITZAHNMGFPIU-UHFFFAOYSA-N 1 0 298.262 1.178 20 5 CDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000357064874 375881705 /nfs/dbraw/zinc/88/17/05/375881705.db2.gz JREOIKJIRWOQNM-STQMWFEESA-N 1 0 293.367 1.998 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171451041 376626706 /nfs/dbraw/zinc/62/67/06/376626706.db2.gz GPVCSFZJFCUAIW-AWEZNQCLSA-N 1 0 289.335 1.905 20 5 CDBDRO COCCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173469914 378455445 /nfs/dbraw/zinc/45/54/45/378455445.db2.gz ATMXPOUSLHJMMR-LBPRGKRZSA-N 1 0 294.355 1.903 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CN(C)CCO1 ZINC000173612166 378716098 /nfs/dbraw/zinc/71/60/98/378716098.db2.gz SGKJCZRTUVLSAF-ZDUSSCGKSA-N 1 0 293.323 1.481 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C)CC1 ZINC000175068822 379631251 /nfs/dbraw/zinc/63/12/51/379631251.db2.gz GCPNGAGHAKBTMP-UHFFFAOYSA-N 1 0 279.340 1.741 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000450593533 251356142 /nfs/dbraw/zinc/35/61/42/251356142.db2.gz IWGNJDBJYOKNTD-AWEZNQCLSA-N 1 0 279.340 1.854 20 5 CDBDRO COc1ccc(CNC(=O)C2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000490059206 253026463 /nfs/dbraw/zinc/02/64/63/253026463.db2.gz LGZVSDUKCRBKLS-UHFFFAOYSA-N 1 0 293.323 1.491 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)/C=C\C[NH+](C)C ZINC000491890565 253114186 /nfs/dbraw/zinc/11/41/86/253114186.db2.gz XKBQQCPRLIWZDQ-TWGQIWQCSA-N 1 0 277.324 1.671 20 5 CDBDRO C[N@H+](CCc1cn[nH]c1)Cc1ccccc1[N+](=O)[O-] ZINC000289384272 197322440 /nfs/dbraw/zinc/32/24/40/197322440.db2.gz QIHVIVRFMZSVHU-UHFFFAOYSA-N 1 0 260.297 1.992 20 5 CDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCF ZINC000281172245 195134611 /nfs/dbraw/zinc/13/46/11/195134611.db2.gz WJZJWRVEQLVGAJ-VIFPVBQESA-N 1 0 269.276 1.871 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000226783705 285177195 /nfs/dbraw/zinc/17/71/95/285177195.db2.gz INZKZRBGUIDPGJ-SFYZADRCSA-N 1 0 254.315 1.382 20 5 CDBDRO Cc1nc(N[C@H]2CCCC[C@@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000420206632 390576776 /nfs/dbraw/zinc/57/67/76/390576776.db2.gz STGVXXZRINLQAQ-ZJUUUORDSA-N 1 0 265.317 1.623 20 5 CDBDRO CO[C@]1(C)C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000451484683 390626924 /nfs/dbraw/zinc/62/69/24/390626924.db2.gz HJATYIHVGNTVMQ-GXFFZTMASA-N 1 0 282.344 1.622 20 5 CDBDRO CCO[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000451537906 390630499 /nfs/dbraw/zinc/63/04/99/390630499.db2.gz IWTJGPCRFKZKJY-NEPJUHHUSA-N 1 0 282.344 1.538 20 5 CDBDRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000451589760 390633283 /nfs/dbraw/zinc/63/32/83/390633283.db2.gz ASYPCQXCDCAFDT-DGCLKSJQSA-N 1 0 298.387 1.707 20 5 CDBDRO C[N@@H+]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286704006 390682502 /nfs/dbraw/zinc/68/25/02/390682502.db2.gz CFWDTDWJKBUJLM-UHFFFAOYSA-N 1 0 293.352 1.741 20 5 CDBDRO C[NH+](C)C(C)(C)CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283714068 195905308 /nfs/dbraw/zinc/90/53/08/195905308.db2.gz ZBQGTLZUZPJFDJ-UHFFFAOYSA-N 1 0 298.318 1.386 20 5 CDBDRO Cc1cnc(N2CC[C@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000164013719 390941573 /nfs/dbraw/zinc/94/15/73/390941573.db2.gz XJRJPOXMAKGDNM-WDEREUQCSA-N 1 0 264.329 1.719 20 5 CDBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000264370088 391116509 /nfs/dbraw/zinc/11/65/09/391116509.db2.gz WQVXUKHIDFMIPT-MNOVXSKESA-N 1 0 297.330 1.625 20 5 CDBDRO CC(C)=CCC[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000517556297 391165132 /nfs/dbraw/zinc/16/51/32/391165132.db2.gz IYZSKCCDFROJJP-GXTWGEPZSA-N 1 0 296.371 1.877 20 5 CDBDRO Cc1ccc(C(=O)N[C@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000307914436 533600106 /nfs/dbraw/zinc/60/01/06/533600106.db2.gz NRRCVZWDCZMYSH-LBPRGKRZSA-N 1 0 277.324 1.774 20 5 CDBDRO COc1ccc(CN[C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000414954615 391220832 /nfs/dbraw/zinc/22/08/32/391220832.db2.gz STZLBVSFQNTUHZ-CMPLNLGQSA-N 1 0 279.340 1.834 20 5 CDBDRO COc1ccc(CN[C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000414954623 391220969 /nfs/dbraw/zinc/22/09/69/391220969.db2.gz STZLBVSFQNTUHZ-ZYHUDNBSSA-N 1 0 279.340 1.834 20 5 CDBDRO [NH3+]CC[C@@H](NCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000415053685 391253300 /nfs/dbraw/zinc/25/33/00/391253300.db2.gz KJHAYKQAPUGTAF-SNVBAGLBSA-N 1 0 277.246 1.964 20 5 CDBDRO Cc1cc(NC(=O)NC[C@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC000415416938 391408494 /nfs/dbraw/zinc/40/84/94/391408494.db2.gz LSALZMWHUVGXCF-LLVKDONJSA-N 1 0 294.311 1.013 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)CC[NH3+] ZINC000415502813 391467553 /nfs/dbraw/zinc/46/75/53/391467553.db2.gz OEAQSTRORHYBEI-QMMMGPOBSA-N 1 0 282.300 1.462 20 5 CDBDRO O=C(NCC[C@H]1CC[NH2+]C1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415627778 391469772 /nfs/dbraw/zinc/46/97/72/391469772.db2.gz COYZWPDCCZDHOM-SECBINFHSA-N 1 0 296.302 1.855 20 5 CDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@@H]1CCC[NH2+]C1 ZINC000415636221 391470150 /nfs/dbraw/zinc/47/01/50/391470150.db2.gz XDZHOKNDIMSYCV-SECBINFHSA-N 1 0 282.275 1.607 20 5 CDBDRO COC[C@H](CCO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268971386 391475241 /nfs/dbraw/zinc/47/52/41/391475241.db2.gz AOYNVQYNULMJNG-NEPJUHHUSA-N 1 0 282.340 1.951 20 5 CDBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000122036572 391686591 /nfs/dbraw/zinc/68/65/91/391686591.db2.gz NATDELCFOKJQBL-GFCCVEGCSA-N 1 0 268.317 1.416 20 5 CDBDRO COc1ccc(C[N@@H+]2CC[C@H](C)[C@H]2CO)cc1[N+](=O)[O-] ZINC000189733949 130017980 /nfs/dbraw/zinc/01/79/80/130017980.db2.gz HXMUQALIGKOKHN-GXFFZTMASA-N 1 0 280.324 1.806 20 5 CDBDRO COc1cc(C[NH2+]C[C@@H](C)OC)c([N+](=O)[O-])cc1OC ZINC000191147995 130190902 /nfs/dbraw/zinc/19/09/02/130190902.db2.gz GARWOMOVSCWTSL-SECBINFHSA-N 1 0 284.312 1.737 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000520310415 391781451 /nfs/dbraw/zinc/78/14/51/391781451.db2.gz IQBFPEGBPKXYFH-AWEZNQCLSA-N 1 0 293.371 1.652 20 5 CDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000590657176 391916005 /nfs/dbraw/zinc/91/60/05/391916005.db2.gz FCHHHOKVEYUSML-NEPJUHHUSA-N 1 0 294.307 1.732 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000320645689 391992985 /nfs/dbraw/zinc/99/29/85/391992985.db2.gz FPZGXQBQGVDJCQ-SFYZADRCSA-N 1 0 269.276 1.590 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000041028511 392006919 /nfs/dbraw/zinc/00/69/19/392006919.db2.gz OPCBDEBTZQNREA-VIFPVBQESA-N 1 0 283.715 1.812 20 5 CDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1C[NH2+]CCC1(F)F ZINC000591674141 391981166 /nfs/dbraw/zinc/98/11/66/391981166.db2.gz ICFJBOLLTFZLEK-JTQLQIEISA-N 1 0 299.277 1.456 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000267108842 392083011 /nfs/dbraw/zinc/08/30/11/392083011.db2.gz YHJKQAGDQWMFNX-UHFFFAOYSA-N 1 0 294.355 1.340 20 5 CDBDRO CCc1ccc(C(=O)N2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000237136151 131006456 /nfs/dbraw/zinc/00/64/56/131006456.db2.gz MCBAOAHWKPFDPS-NSHDSACASA-N 1 0 291.351 1.968 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000237333870 131024623 /nfs/dbraw/zinc/02/46/23/131024623.db2.gz HJIDRAAPWALPDM-VIFPVBQESA-N 1 0 295.364 1.799 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261625372 131157845 /nfs/dbraw/zinc/15/78/45/131157845.db2.gz ARLZKZGBKSFEQQ-VXGBXAGGSA-N 1 0 275.308 1.276 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1[N+](=O)[O-] ZINC000261702263 131162977 /nfs/dbraw/zinc/16/29/77/131162977.db2.gz OIEXKKSJVQOZRJ-AAEUAGOBSA-N 1 0 289.335 1.727 20 5 CDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]1 ZINC000261815128 131170901 /nfs/dbraw/zinc/17/09/01/131170901.db2.gz XEKGDQWBUJLDBB-LLVKDONJSA-N 1 0 263.297 1.006 20 5 CDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C[NH3+] ZINC000262549624 131232435 /nfs/dbraw/zinc/23/24/35/131232435.db2.gz XJIRPTNAXZDHSE-DTWKUNHWSA-N 1 0 283.353 1.539 20 5 CDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000262573965 131235395 /nfs/dbraw/zinc/23/53/95/131235395.db2.gz IMDYHZZXPOEQNS-SECBINFHSA-N 1 0 297.742 1.978 20 5 CDBDRO C[NH2+]CCN(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000263256448 131287761 /nfs/dbraw/zinc/28/77/61/131287761.db2.gz QUOSVVSUNVETBP-UHFFFAOYSA-N 1 0 279.340 1.550 20 5 CDBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C12CCC2 ZINC000459756893 392504248 /nfs/dbraw/zinc/50/42/48/392504248.db2.gz KLCVXTXSBXSKEQ-GHMZBOCLSA-N 1 0 280.328 1.376 20 5 CDBDRO CO[C@@H]1C[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000459783197 392506685 /nfs/dbraw/zinc/50/66/85/392506685.db2.gz ZNBROSGFXDKZRC-GHMZBOCLSA-N 1 0 280.328 1.339 20 5 CDBDRO C[C@@H]1CC[N@H+](C)CCN1c1ncc([N+](=O)[O-])s1 ZINC000443508916 392584237 /nfs/dbraw/zinc/58/42/37/392584237.db2.gz HPIOELBIMLAJRI-MRVPVSSYSA-N 1 0 256.331 1.582 20 5 CDBDRO COC(=O)c1cnc(NC[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000488975058 392841960 /nfs/dbraw/zinc/84/19/60/392841960.db2.gz DILRSTQPNDUBLU-SECBINFHSA-N 1 0 296.327 1.386 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420580515 392919630 /nfs/dbraw/zinc/91/96/30/392919630.db2.gz FJHYRSRASZEIHN-JTQLQIEISA-N 1 0 292.339 1.224 20 5 CDBDRO CC[N@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000078454490 392929203 /nfs/dbraw/zinc/92/92/03/392929203.db2.gz WFRZNCJMBTUDGE-UHFFFAOYSA-N 1 0 291.351 1.738 20 5 CDBDRO Cc1nc(N[C@@H](C)CN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000268526425 132022443 /nfs/dbraw/zinc/02/24/43/132022443.db2.gz WDASYFFPGSHXGJ-NSHDSACASA-N 1 0 293.371 1.346 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]([NH3+])CC)c1 ZINC000423670298 392965992 /nfs/dbraw/zinc/96/59/92/392965992.db2.gz AOPRHXBXAYWIND-VIFPVBQESA-N 1 0 281.312 1.461 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000429972637 393088492 /nfs/dbraw/zinc/08/84/92/393088492.db2.gz LZVWAFPIRISWSG-ONGXEEELSA-N 1 0 293.323 1.347 20 5 CDBDRO O=[N+]([O-])c1cnn(CCN2CC[NH2+]CC23CCCCC3)c1 ZINC000431075113 393106423 /nfs/dbraw/zinc/10/64/23/393106423.db2.gz ATJNZUWKBPGZCO-UHFFFAOYSA-N 1 0 293.371 1.399 20 5 CDBDRO O=C(CCN1CCC[NH2+]CC1)Nc1ccccc1[N+](=O)[O-] ZINC000430955439 393107165 /nfs/dbraw/zinc/10/71/65/393107165.db2.gz AEEFJULRXSTCTH-UHFFFAOYSA-N 1 0 292.339 1.219 20 5 CDBDRO CCn1nnc(C)c1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000449167247 393131337 /nfs/dbraw/zinc/13/13/37/393131337.db2.gz IVWUYDZOKRDKIZ-UHFFFAOYSA-N 1 0 289.339 1.847 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000449640277 393137697 /nfs/dbraw/zinc/13/76/97/393137697.db2.gz AXPITJJPNMZDIQ-BXKDBHETSA-N 1 0 295.314 1.981 20 5 CDBDRO Nc1c(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000449641772 393137734 /nfs/dbraw/zinc/13/77/34/393137734.db2.gz FCXCIQLXMIDGEH-VHSXEESVSA-N 1 0 292.339 1.424 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000449637613 393137768 /nfs/dbraw/zinc/13/77/68/393137768.db2.gz GZFBIFNLZPBTIV-WCBMZHEXSA-N 1 0 283.353 1.904 20 5 CDBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@@H]1C ZINC000487953351 393354591 /nfs/dbraw/zinc/35/45/91/393354591.db2.gz KGURUPFPXYDFCJ-GXTWGEPZSA-N 1 0 296.371 1.928 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000135230195 139885538 /nfs/dbraw/zinc/88/55/38/139885538.db2.gz HYLYGUVHHJCCDA-GHMZBOCLSA-N 1 0 277.324 1.726 20 5 CDBDRO CNC(=O)c1ccc(N[C@H]2CCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000212642182 140161106 /nfs/dbraw/zinc/16/11/06/140161106.db2.gz XPZKXMCTHZICDI-QWRGUYRKSA-N 1 0 292.339 1.494 20 5 CDBDRO Cc1cc(N2CC(C[NH3+])CC2C)ncc1[N+](=O)[O-] ZINC000228081338 140190537 /nfs/dbraw/zinc/19/05/37/140190537.db2.gz JBJBNLDHSYGMFA-NXEZZACHSA-N 1 0 250.302 1.472 20 5 CDBDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000228112718 140191175 /nfs/dbraw/zinc/19/11/75/140191175.db2.gz PBLHYCYWQXXGSX-NXEZZACHSA-N 1 0 268.313 1.852 20 5 CDBDRO [NH3+]C1(CNC(=O)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000230066846 140206753 /nfs/dbraw/zinc/20/67/53/140206753.db2.gz NWBYCCISZWHHLJ-UHFFFAOYSA-N 1 0 263.297 1.135 20 5 CDBDRO Cc1c(CNC(=O)CC[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000231856955 140220168 /nfs/dbraw/zinc/22/01/68/140220168.db2.gz DWZJCQQCRGRQNA-SECBINFHSA-N 1 0 265.313 1.647 20 5 CDBDRO CCCC[C@H]([NH3+])C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000236797346 140245607 /nfs/dbraw/zinc/24/56/07/140245607.db2.gz RLDLDCOCJPOSHY-ZDUSSCGKSA-N 1 0 294.355 1.640 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@H]12 ZINC000261588948 140357723 /nfs/dbraw/zinc/35/77/23/140357723.db2.gz VYZDIKAJKWCQSH-OUAUKWLOSA-N 1 0 267.354 1.825 20 5 CDBDRO [NH3+]C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261590905 140358798 /nfs/dbraw/zinc/35/87/98/140358798.db2.gz LSBOGGRBQOCCKM-SNVBAGLBSA-N 1 0 267.304 1.905 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000261650481 140370311 /nfs/dbraw/zinc/37/03/11/140370311.db2.gz DESYSGDSWAERSJ-AWEZNQCLSA-N 1 0 277.324 1.714 20 5 CDBDRO COCCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCO ZINC000438349719 397626781 /nfs/dbraw/zinc/62/67/81/397626781.db2.gz ZRZLRACXYUBSDT-DAXSKMNVSA-N 1 0 294.351 1.939 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000135220626 397910041 /nfs/dbraw/zinc/91/00/41/397910041.db2.gz BWRLQSJLUHIHFT-VIFPVBQESA-N 1 0 281.287 1.545 20 5 CDBDRO CCO[C@@H]1C[C@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000176260364 148032587 /nfs/dbraw/zinc/03/25/87/148032587.db2.gz LZCPUQRYSKYVIV-NWDGAFQWSA-N 1 0 296.371 1.927 20 5 CDBDRO C[C@H](NC(=O)[C@]1(F)CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000178401304 148058297 /nfs/dbraw/zinc/05/82/97/148058297.db2.gz ZJNLKIMTVSURFU-ZANVPECISA-N 1 0 281.287 1.474 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000310822470 149202344 /nfs/dbraw/zinc/20/23/44/149202344.db2.gz BXDDNQMXCWORQG-QMMMGPOBSA-N 1 0 252.274 1.454 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000310863475 149203458 /nfs/dbraw/zinc/20/34/58/149203458.db2.gz QXIBUMCOSWPXTN-SECBINFHSA-N 1 0 251.286 1.452 20 5 CDBDRO CO[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCOC1 ZINC000313586064 149244907 /nfs/dbraw/zinc/24/49/07/149244907.db2.gz YMMPJVTVTIPJLC-CYBMUJFWSA-N 1 0 284.287 1.629 20 5 CDBDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449727626 286232405 /nfs/dbraw/zinc/23/24/05/286232405.db2.gz QVSZPKMRIXPUTE-UXIGCNINSA-N 1 0 294.351 1.919 20 5 CDBDRO C[C@H]1C[NH2+]CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000347151263 153430467 /nfs/dbraw/zinc/43/04/67/153430467.db2.gz ZTWMHINYJBLCNS-FUEXJSSKSA-N 1 0 261.325 1.902 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1CC[C@H](n2cncn2)C1 ZINC000375321686 160367188 /nfs/dbraw/zinc/36/71/88/160367188.db2.gz WYTVHJNVJAMXJC-LBPRGKRZSA-N 1 0 273.296 1.633 20 5 CDBDRO CC[NH+](CC)C[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000353959717 156185333 /nfs/dbraw/zinc/18/53/33/156185333.db2.gz GTGKBDGAPPXJHL-LBPRGKRZSA-N 1 0 293.367 1.984 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](CO)C2CCOCC2)c1 ZINC000359852775 158398858 /nfs/dbraw/zinc/39/88/58/158398858.db2.gz VRJWTZSUUPKEAE-CQSZACIVSA-N 1 0 280.324 1.472 20 5 CDBDRO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CC[C@@H](C)C1 ZINC000362149693 159084448 /nfs/dbraw/zinc/08/44/48/159084448.db2.gz NHXBWVSOHBZYMG-OLZOCXBDSA-N 1 0 296.371 1.928 20 5 CDBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[C@H](C)C1 ZINC000362158605 159087967 /nfs/dbraw/zinc/08/79/67/159087967.db2.gz SODYEMYJFSKNDD-QWHCGFSZSA-N 1 0 296.371 1.928 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)n1 ZINC000372154810 160085979 /nfs/dbraw/zinc/08/59/79/160085979.db2.gz IBRZFNMYDZBNDT-NEPJUHHUSA-N 1 0 280.328 1.150 20 5 CDBDRO C[C@H]1COCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000372217115 160092582 /nfs/dbraw/zinc/09/25/82/160092582.db2.gz OBXCCIYKAIWTKX-GFCCVEGCSA-N 1 0 280.324 1.942 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCO[C@H](C[NH3+])C1 ZINC000165075312 287152402 /nfs/dbraw/zinc/15/24/02/287152402.db2.gz FNDGSKQOBKXONE-WDEREUQCSA-N 1 0 265.313 1.315 20 5 CDBDRO Cc1ccc(C(=O)N2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000033439597 171798354 /nfs/dbraw/zinc/79/83/54/171798354.db2.gz KTEWJSDNGOHXLO-UHFFFAOYSA-N 1 0 263.297 1.467 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCn2ccnc2)c1 ZINC000039170045 174164838 /nfs/dbraw/zinc/16/48/38/174164838.db2.gz BKUBVRWPHDGTEI-UHFFFAOYSA-N 1 0 260.297 1.971 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC[C@@H]2O)cc1 ZINC000040676085 174373713 /nfs/dbraw/zinc/37/37/13/174373713.db2.gz WVIXXCYWQPDMCA-STQMWFEESA-N 1 0 250.298 1.640 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000044537636 175199968 /nfs/dbraw/zinc/19/99/68/175199968.db2.gz LJTRKRGDSJFOPI-SNVBAGLBSA-N 1 0 250.302 1.744 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]([NH3+])C(C)C ZINC000070446769 175938477 /nfs/dbraw/zinc/93/84/77/175938477.db2.gz VXCZAXJGEBLGHZ-LBPRGKRZSA-N 1 0 265.313 1.616 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000070447128 175938878 /nfs/dbraw/zinc/93/88/78/175938878.db2.gz ZHOHYRWQFIAXGX-SNVBAGLBSA-N 1 0 251.286 1.308 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000071143130 176040542 /nfs/dbraw/zinc/04/05/42/176040542.db2.gz QRRPALCGSZEHPB-SNVBAGLBSA-N 1 0 263.297 1.276 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000071143342 176040574 /nfs/dbraw/zinc/04/05/74/176040574.db2.gz YOTMVRWTNZXRGN-LLVKDONJSA-N 1 0 277.324 1.585 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000071143467 176041156 /nfs/dbraw/zinc/04/11/56/176041156.db2.gz XCHDYHRUAQNTAB-JTQLQIEISA-N 1 0 293.323 1.285 20 5 CDBDRO COC[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000071273126 176104949 /nfs/dbraw/zinc/10/49/49/176104949.db2.gz ICBGUHWAWFWHQY-NSHDSACASA-N 1 0 254.286 1.000 20 5 CDBDRO C[N@H+](CCNc1ncc([N+](=O)[O-])cn1)C1CCCC1 ZINC000071377587 176142595 /nfs/dbraw/zinc/14/25/95/176142595.db2.gz SSRXDBJABLHIJM-UHFFFAOYSA-N 1 0 265.317 1.671 20 5 CDBDRO C[NH+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000077308409 177251008 /nfs/dbraw/zinc/25/10/08/177251008.db2.gz OYSPRJNOYKDKOU-UHFFFAOYSA-N 1 0 269.276 1.415 20 5 CDBDRO Cc1cc(N2C[C@@H](C)[C@H]([NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000310865597 270322303 /nfs/dbraw/zinc/32/23/03/270322303.db2.gz LEMPXILVKVEBOF-PSASIEDQSA-N 1 0 253.277 1.826 20 5 CDBDRO C[C@]1(F)C[NH2+]CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000414765373 263040917 /nfs/dbraw/zinc/04/09/17/263040917.db2.gz BXOWYDFQXLKIOZ-ZDUSSCGKSA-N 1 0 285.294 1.867 20 5 CDBDRO CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1NC)[NH+](C)C ZINC000519609033 265493984 /nfs/dbraw/zinc/49/39/84/265493984.db2.gz SNEHQIYUIDQKBA-GFCCVEGCSA-N 1 0 280.328 1.915 20 5 CDBDRO CC(C)([NH3+])CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000519753524 265574801 /nfs/dbraw/zinc/57/48/01/265574801.db2.gz UVJVGZXNNASDQE-UHFFFAOYSA-N 1 0 266.301 1.131 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@H]2CO)c(F)c1 ZINC000312722224 270323461 /nfs/dbraw/zinc/32/34/61/270323461.db2.gz KCDMXWKGAKSVSH-GWCFXTLKSA-N 1 0 268.288 1.985 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000320865691 270329323 /nfs/dbraw/zinc/32/93/23/270329323.db2.gz NKLNUMXNNCLDFG-ZSDATDQRSA-N 1 0 277.324 1.850 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)C(C)C)c1 ZINC000338419289 274118050 /nfs/dbraw/zinc/11/80/50/274118050.db2.gz LQWPXBBADGKXKG-UHFFFAOYSA-N 1 0 295.339 1.673 20 5 CDBDRO CS[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)C[C@H]1[NH+](C)C ZINC000270394844 274182156 /nfs/dbraw/zinc/18/21/56/274182156.db2.gz UBKBAFFIJBVETJ-VXGBXAGGSA-N 1 0 296.396 1.780 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[S@](C)=O ZINC000449160014 274498601 /nfs/dbraw/zinc/49/86/01/274498601.db2.gz KGBHXUXYDYRTMY-WYRIXSBYSA-N 1 0 284.381 1.884 20 5 CDBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[NH2+]1 ZINC000052783417 274594420 /nfs/dbraw/zinc/59/44/20/274594420.db2.gz RPCQJLYILGGCHW-JTQLQIEISA-N 1 0 272.308 1.941 20 5 CDBDRO Cc1nc(N2CC[C@H](C)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000163986052 274842300 /nfs/dbraw/zinc/84/23/00/274842300.db2.gz ZQFGUNZKQGELKE-GXSJLCMTSA-N 1 0 264.329 1.719 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000157340521 276104303 /nfs/dbraw/zinc/10/43/03/276104303.db2.gz XZMPJASDURQOFV-SNVBAGLBSA-N 1 0 294.355 1.637 20 5 CDBDRO C[N@@H+]1CCCC12CCN(c1ncc([N+](=O)[O-])cn1)CC2 ZINC000373394876 277042601 /nfs/dbraw/zinc/04/26/01/277042601.db2.gz SFMZUFIPWOCFOB-UHFFFAOYSA-N 1 0 277.328 1.449 20 5 CDBDRO C[N@@H+]1CCO[C@H]2CN(c3c(F)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000357625385 277131154 /nfs/dbraw/zinc/13/11/54/277131154.db2.gz VXZBVRCRLDQYOL-RYUDHWBXSA-N 1 0 281.287 1.253 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000063192667 278316988 /nfs/dbraw/zinc/31/69/88/278316988.db2.gz ONFJPSPWMLXOIO-ZWNOBZJWSA-N 1 0 277.324 1.937 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C[NH3+])C1 ZINC000235316584 278541533 /nfs/dbraw/zinc/54/15/33/278541533.db2.gz FNGWVKCXULTZER-RKDXNWHRSA-N 1 0 283.353 1.856 20 5 CDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000286492590 279088811 /nfs/dbraw/zinc/08/88/11/279088811.db2.gz RLSDFNLWVCXKQF-ZJUUUORDSA-N 1 0 292.343 1.030 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000063170544 279396219 /nfs/dbraw/zinc/39/62/19/279396219.db2.gz CCAIPJGYBQZFQN-FGEFZZPRSA-N 1 0 263.297 1.462 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420258493 280100613 /nfs/dbraw/zinc/10/06/13/280100613.db2.gz XQEMVIKMKWWBHI-KWQFWETISA-N 1 0 289.295 1.571 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000237365835 280173054 /nfs/dbraw/zinc/17/30/54/280173054.db2.gz XLXSMVSYRDAZSS-PORFMDCZSA-N 1 0 263.297 1.319 20 5 CDBDRO Cc1c(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cccc1[N+](=O)[O-] ZINC000372906668 280209480 /nfs/dbraw/zinc/20/94/80/280209480.db2.gz CWYDBSGKUKRNBM-WCQYABFASA-N 1 0 289.335 1.727 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000270211753 281007800 /nfs/dbraw/zinc/00/78/00/281007800.db2.gz JRIHVRSPJXYOIZ-UHFFFAOYSA-N 1 0 277.324 1.681 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]1C[NH3+] ZINC000430577217 281018262 /nfs/dbraw/zinc/01/82/62/281018262.db2.gz YUNMJKSWGNTDNB-LBPRGKRZSA-N 1 0 292.339 1.265 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000520977278 281062610 /nfs/dbraw/zinc/06/26/10/281062610.db2.gz GKMSKQKOGNPNRU-JTQLQIEISA-N 1 0 295.314 1.806 20 5 CDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000522188813 281091765 /nfs/dbraw/zinc/09/17/65/281091765.db2.gz PAFHSBYGAHZYHJ-JTQLQIEISA-N 1 0 280.328 1.100 20 5 CDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000525021066 281115164 /nfs/dbraw/zinc/11/51/64/281115164.db2.gz NKKJUPNKUXVSGY-JQWIXIFHSA-N 1 0 294.355 1.346 20 5 CDBDRO Cc1ccnc(N2CC[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000261592293 281463620 /nfs/dbraw/zinc/46/36/20/281463620.db2.gz MHNHUZGINUGKGL-ZDUSSCGKSA-N 1 0 262.313 1.488 20 5 CDBDRO CCC[NH+]1CCC(N(C)C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548083523 289840292 /nfs/dbraw/zinc/84/02/92/289840292.db2.gz UJZHNFDHPMFZCP-UHFFFAOYSA-N 1 0 295.343 1.264 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000564955846 293469094 /nfs/dbraw/zinc/46/90/94/293469094.db2.gz BGDAFFPMLNBCIJ-IUCAKERBSA-N 1 0 295.343 1.128 20 5 CDBDRO CC(=O)N1CC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000568107305 293953213 /nfs/dbraw/zinc/95/32/13/293953213.db2.gz JBWORFLJMYBMBK-SNVBAGLBSA-N 1 0 277.324 1.785 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000568868245 294114418 /nfs/dbraw/zinc/11/44/18/294114418.db2.gz ZXWSGCMRPZRPMC-WDEREUQCSA-N 1 0 295.339 1.606 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000571643934 294476729 /nfs/dbraw/zinc/47/67/29/294476729.db2.gz HNUGWTBGARQATI-VHSXEESVSA-N 1 0 295.339 1.849 20 5 CDBDRO Cc1ncc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)n1C ZINC000574412686 294996923 /nfs/dbraw/zinc/99/69/23/294996923.db2.gz DURVOFADAJPMGL-UHFFFAOYSA-N 1 0 274.324 1.969 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)n1 ZINC000574914381 295075602 /nfs/dbraw/zinc/07/56/02/295075602.db2.gz MKNJMAHHTPXZHW-CHWSQXEVSA-N 1 0 294.355 1.682 20 5 CDBDRO COC(=O)c1cc(OCC[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000575039609 295089628 /nfs/dbraw/zinc/08/96/28/295089628.db2.gz SLKIZVRYKYOICK-JTQLQIEISA-N 1 0 294.307 1.760 20 5 CDBDRO [NH3+]CCCOC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000094073074 295231905 /nfs/dbraw/zinc/23/19/05/295231905.db2.gz GADRDVSGNAEBAO-UHFFFAOYSA-N 1 0 279.340 1.929 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000261855241 295271745 /nfs/dbraw/zinc/27/17/45/295271745.db2.gz WHZJWDTZVYUSSH-DGCLKSJQSA-N 1 0 289.335 1.859 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)c1[N+](=O)[O-] ZINC000261785897 301300089 /nfs/dbraw/zinc/30/00/89/301300089.db2.gz KLXUECOXBXANOE-ZJUUUORDSA-N 1 0 295.314 1.852 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCSC2)c1 ZINC000563806111 316373341 /nfs/dbraw/zinc/37/33/41/316373341.db2.gz OBLZSPWNWMTDFV-ZYHUDNBSSA-N 1 0 298.364 1.430 20 5 CDBDRO CCCNC(=O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569501565 316795269 /nfs/dbraw/zinc/79/52/69/316795269.db2.gz HUNRPPGPVDEBQK-LBPRGKRZSA-N 1 0 277.324 1.698 20 5 CDBDRO CO[C@@H](C)CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000574982625 316945429 /nfs/dbraw/zinc/94/54/29/316945429.db2.gz FTRLKVIHASWJPR-AAEUAGOBSA-N 1 0 298.339 1.349 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](Cn2cccc([N+](=O)[O-])c2=O)CC1 ZINC000576276904 317108739 /nfs/dbraw/zinc/10/87/39/317108739.db2.gz FELCNTMXNUEQAP-XYPYZODXSA-N 1 0 265.313 1.522 20 5 CDBDRO C[C@@H](C[NH3+])Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000380040092 323609080 /nfs/dbraw/zinc/60/90/80/323609080.db2.gz ROWJYZDYSQFUGW-YFKPBYRVSA-N 1 0 253.287 1.359 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000381334409 323625110 /nfs/dbraw/zinc/62/51/10/323625110.db2.gz CJSJRIPYJXCAGB-RQJHMYQMSA-N 1 0 255.249 1.199 20 5 CDBDRO [NH3+]C1(CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CCC1 ZINC000381855126 323632537 /nfs/dbraw/zinc/63/25/37/323632537.db2.gz SUVFWRDITALZBL-SREVYHEPSA-N 1 0 275.308 1.606 20 5 CDBDRO C[C@@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[C@H](C)[NH3+] ZINC000578980755 324071268 /nfs/dbraw/zinc/07/12/68/324071268.db2.gz PNUQFVSCKARUCK-VHSXEESVSA-N 1 0 292.339 1.398 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC2(CC[NH2+]C2)CC1 ZINC000579454282 324189691 /nfs/dbraw/zinc/18/96/91/324189691.db2.gz JVRLWHMUNAHSPD-UHFFFAOYSA-N 1 0 293.371 1.700 20 5 CDBDRO CC1(F)CC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000582661203 325017979 /nfs/dbraw/zinc/01/79/79/325017979.db2.gz UFMDYTWFILVYTH-KSGYAGIASA-N 1 0 298.314 1.815 20 5 CDBDRO COC(=O)c1cccc(OCC[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000583258253 325137973 /nfs/dbraw/zinc/13/79/73/325137973.db2.gz PGYTZSRNTDQLSQ-SNVBAGLBSA-N 1 0 294.307 1.760 20 5 CDBDRO COc1ccc(C[NH2+]Cc2cnc(C)n2C)cc1[N+](=O)[O-] ZINC000584124315 327046144 /nfs/dbraw/zinc/04/61/44/327046144.db2.gz BBCQIMWGQOXRAW-UHFFFAOYSA-N 1 0 290.323 1.935 20 5 CDBDRO CC(C)OC[C@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000584378623 329307153 /nfs/dbraw/zinc/30/71/53/329307153.db2.gz QPRGZVOJYBEOOM-AWEZNQCLSA-N 1 0 282.340 1.813 20 5 CDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C(F)F ZINC001019912649 1159564311 /nfs/dbraw/zinc/56/43/11/1159564311.db2.gz KLSUBZCZFAKGQJ-MGCOHNPYSA-N 1 0 299.277 1.597 20 5 CDBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCCO1 ZINC000176245522 482477060 /nfs/dbraw/zinc/47/70/60/482477060.db2.gz VYDFPJRTSLXRIN-NSHDSACASA-N 1 0 268.317 1.292 20 5 CDBDRO C[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000134756200 1161508215 /nfs/dbraw/zinc/50/82/15/1161508215.db2.gz HLXTZABWFVKTQW-ZWNOBZJWSA-N 1 0 267.329 1.168 20 5 CDBDRO COc1cc(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)ccc1O ZINC001168966545 1161995508 /nfs/dbraw/zinc/99/55/08/1161995508.db2.gz JKLXHRQAEHAZGD-OLZOCXBDSA-N 1 0 294.351 1.978 20 5 CDBDRO CCC(=O)NC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169030303 1161998367 /nfs/dbraw/zinc/99/83/67/1161998367.db2.gz YJYJOYSUEKJQBR-AAEUAGOBSA-N 1 0 283.372 1.422 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2cccc(O)c2)C1 ZINC001168967538 1161996476 /nfs/dbraw/zinc/99/64/76/1161996476.db2.gz QJNNIXUEJBDTIP-OLZOCXBDSA-N 1 0 264.325 1.970 20 5 CDBDRO CC[N@@H+](C/C=C\Cl)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001752181523 1184833529 /nfs/dbraw/zinc/83/35/29/1184833529.db2.gz BICRZGOTBMTXTI-VRJVPJCWSA-N 1 0 289.763 1.232 20 5 CDBDRO Cc1ccn(CC[NH+]2CCC(C)CC2)c(=O)c1[N+](=O)[O-] ZINC000155900406 534340955 /nfs/dbraw/zinc/34/09/55/534340955.db2.gz ZRKHPMSIAGXSIU-UHFFFAOYSA-N 1 0 279.340 1.797 20 5 CDBDRO O=C1OCCN1c1cccc2c1CCN(CC[N+](=O)[O-])C2 ZINC000791054221 1162187571 /nfs/dbraw/zinc/18/75/71/1162187571.db2.gz YTDSLQDDQGBDLM-UHFFFAOYSA-N 1 0 291.307 1.278 20 5 CDBDRO CNc1c(C(=O)NCCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000161422470 522538401 /nfs/dbraw/zinc/53/84/01/522538401.db2.gz HSNYZGDRELPOBJ-UHFFFAOYSA-N 1 0 280.328 1.318 20 5 CDBDRO COCC[NH+](CCOC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351260 523715605 /nfs/dbraw/zinc/71/56/05/523715605.db2.gz JXLXOTHNGGCXCB-CQSZACIVSA-N 1 0 298.339 1.223 20 5 CDBDRO C[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)C[C@@H]1C[NH3+] ZINC000163969728 524307938 /nfs/dbraw/zinc/30/79/38/524307938.db2.gz YPOXUSLPCVCBHR-UWVGGRQHSA-N 1 0 250.302 1.411 20 5 CDBDRO Cc1ccc(CNC[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358166584 524583787 /nfs/dbraw/zinc/58/37/87/524583787.db2.gz MKCWSXLGISTMHH-CQSZACIVSA-N 1 0 279.340 1.059 20 5 CDBDRO C[C@H]([NH3+])CCC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000277500212 524831100 /nfs/dbraw/zinc/83/11/00/524831100.db2.gz PAJGHHLJPKUSNW-JTQLQIEISA-N 1 0 265.313 1.381 20 5 CDBDRO C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000068802072 525399124 /nfs/dbraw/zinc/39/91/24/525399124.db2.gz DNBZWBQBXXUICB-SWLSCSKDSA-N 1 0 292.383 1.491 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000235434994 525428251 /nfs/dbraw/zinc/42/82/51/525428251.db2.gz ZYAQNBIAMXGDPA-MWLCHTKSSA-N 1 0 278.312 1.857 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C)CC1 ZINC000248141667 525455816 /nfs/dbraw/zinc/45/58/16/525455816.db2.gz QIULYJOSHVYPKB-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1OC[C@H]1CC[NH2+]C1 ZINC000051890676 525473079 /nfs/dbraw/zinc/47/30/79/525473079.db2.gz OXFHYFZNTMWRIE-VIFPVBQESA-N 1 0 252.270 1.592 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000068802077 525484931 /nfs/dbraw/zinc/48/49/31/525484931.db2.gz DNBZWBQBXXUICB-IUODEOHRSA-N 1 0 292.383 1.491 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](C[NH3+])C1 ZINC000052813045 525574497 /nfs/dbraw/zinc/57/44/97/525574497.db2.gz QWBOLXUCTMKROL-JTQLQIEISA-N 1 0 250.302 1.473 20 5 CDBDRO Cc1c(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000235662881 525598932 /nfs/dbraw/zinc/59/89/32/525598932.db2.gz VDGJRHRUWSEYBI-GZMMTYOYSA-N 1 0 263.297 1.322 20 5 CDBDRO Cc1ccc(C(=O)NC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000053253144 526175544 /nfs/dbraw/zinc/17/55/44/526175544.db2.gz VRNCZDXGZCFLBL-NSHDSACASA-N 1 0 263.297 1.385 20 5 CDBDRO [NH3+]C1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000051692792 527140844 /nfs/dbraw/zinc/14/08/44/527140844.db2.gz BCHGMNKXWHRFBU-UHFFFAOYSA-N 1 0 281.287 1.734 20 5 CDBDRO CCCNC(=O)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000045072941 535046421 /nfs/dbraw/zinc/04/64/21/535046421.db2.gz ZXTKFEHCIWPMMX-UHFFFAOYSA-N 1 0 271.342 1.662 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH2+]C)c1 ZINC000422824188 535428269 /nfs/dbraw/zinc/42/82/69/535428269.db2.gz GKFCMZNNJNLTQI-SNVBAGLBSA-N 1 0 295.339 1.579 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@H](C[NH3+])C[C@H]1C ZINC000250454895 536143929 /nfs/dbraw/zinc/14/39/29/536143929.db2.gz PEZDNCRUGFGDMM-SCZZXKLOSA-N 1 0 267.333 1.293 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000261580020 536400720 /nfs/dbraw/zinc/40/07/20/536400720.db2.gz PWWGBFGEWMMVGJ-SECBINFHSA-N 1 0 251.286 1.241 20 5 CDBDRO CNc1nc(-c2nc(C[C@@H](C)[NH2+]C)no2)ccc1[N+](=O)[O-] ZINC000414638431 536422152 /nfs/dbraw/zinc/42/21/52/536422152.db2.gz DASODRDCLMPNST-SSDOTTSWSA-N 1 0 292.299 1.232 20 5 CDBDRO COc1cc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000262712940 536521435 /nfs/dbraw/zinc/52/14/35/536521435.db2.gz CXKHNDNNSJYBOY-KOLCDFICSA-N 1 0 293.323 1.331 20 5 CDBDRO COc1cc(C[N@@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000305823397 536771462 /nfs/dbraw/zinc/77/14/62/536771462.db2.gz LWUYZALCPUXOIF-JTQLQIEISA-N 1 0 252.270 1.170 20 5 CDBDRO COc1ccc(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000423717220 536809438 /nfs/dbraw/zinc/80/94/38/536809438.db2.gz ACVGAFLUMGFRHA-YGRLFVJLSA-N 1 0 291.307 1.542 20 5 CDBDRO COc1cc(C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000262761298 536888186 /nfs/dbraw/zinc/88/81/86/536888186.db2.gz IMXOJZQKQSHYNU-VHSXEESVSA-N 1 0 293.323 1.426 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H](CO)C2CC2)cc1 ZINC000771807795 575615876 /nfs/dbraw/zinc/61/58/76/575615876.db2.gz LVEPWAWPZIMPOQ-CQSZACIVSA-N 1 0 280.324 1.724 20 5 CDBDRO CC[C@H](CO)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000742424504 576602131 /nfs/dbraw/zinc/60/21/31/576602131.db2.gz HQTPUWOLDNUILD-GFCCVEGCSA-N 1 0 279.340 1.488 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(CCO)CC2)c1 ZINC000750067754 576974656 /nfs/dbraw/zinc/97/46/56/576974656.db2.gz RIDJSYKRKGZREE-HNNXBMFYSA-N 1 0 294.351 1.723 20 5 CDBDRO C[NH+](C)CCNC(=S)NCCc1cccc([N+](=O)[O-])c1 ZINC000758268481 577092963 /nfs/dbraw/zinc/09/29/63/577092963.db2.gz PKSDLVUGADFTFY-UHFFFAOYSA-N 1 0 296.396 1.163 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)Nc1c([N+](=O)[O-])cnn1C ZINC000892032078 617425743 /nfs/dbraw/zinc/42/57/43/617425743.db2.gz GSKAMDDHRSBILI-SECBINFHSA-N 1 0 255.322 1.471 20 5 CDBDRO COc1c(O)ccc(C[N@H+](C)C[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000892180425 617533364 /nfs/dbraw/zinc/53/33/64/617533364.db2.gz PIMKTZQTZFYUMM-SNVBAGLBSA-N 1 0 296.323 1.777 20 5 CDBDRO CC[NH+](CC)C[C@@H]1CCN(c2c([N+](=O)[O-])cnn2C)C1 ZINC000892723941 617657666 /nfs/dbraw/zinc/65/76/66/617657666.db2.gz PLGGWSBVLNARQA-NSHDSACASA-N 1 0 281.360 1.496 20 5 CDBDRO COc1c(O)ccc(C[NH2+]CC[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000893531540 618043919 /nfs/dbraw/zinc/04/39/19/618043919.db2.gz KTFNTYHYTXBOPL-SNVBAGLBSA-N 1 0 296.323 1.825 20 5 CDBDRO COc1c(O)ccc(C[NH2+]CCCF)c1[N+](=O)[O-] ZINC000893123664 618200551 /nfs/dbraw/zinc/20/05/51/618200551.db2.gz LRAUPEDPRUUXCC-UHFFFAOYSA-N 1 0 258.249 1.758 20 5 CDBDRO CC(=O)c1ccc(N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000893941927 618206615 /nfs/dbraw/zinc/20/66/15/618206615.db2.gz XOJFFACUFLJZKG-WFASDCNBSA-N 1 0 289.335 1.938 20 5 CDBDRO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1C[NH3+] ZINC000818009375 618492138 /nfs/dbraw/zinc/49/21/38/618492138.db2.gz QNPALQVAIDLMDM-UWVGGRQHSA-N 1 0 292.339 1.234 20 5 CDBDRO CC[NH2+]CCCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000843311097 618704674 /nfs/dbraw/zinc/70/46/74/618704674.db2.gz SLACYIOEPFDZKN-UHFFFAOYSA-N 1 0 299.302 1.229 20 5 CDBDRO CCC[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[NH2+]1 ZINC000895058595 619243454 /nfs/dbraw/zinc/24/34/54/619243454.db2.gz NADWRVQHGWBMKH-VIFPVBQESA-N 1 0 295.368 1.882 20 5 CDBDRO C[NH2+]C1(CNc2c([N+](=O)[O-])cnn2C)CCCCC1 ZINC000895059945 619244904 /nfs/dbraw/zinc/24/49/04/619244904.db2.gz YZHHSQWCDHVVRM-UHFFFAOYSA-N 1 0 267.333 1.663 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1CC[N@@H+]1C ZINC000895771263 619837721 /nfs/dbraw/zinc/83/77/21/619837721.db2.gz WUHAITCEOJBNCA-SNVBAGLBSA-N 1 0 293.323 1.806 20 5 CDBDRO O=[N+]([O-])CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000899871796 622497000 /nfs/dbraw/zinc/49/70/00/622497000.db2.gz VOPBNPWILIYCIM-UHFFFAOYSA-N 1 0 277.368 1.560 20 5 CDBDRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000900486483 623135868 /nfs/dbraw/zinc/13/58/68/623135868.db2.gz COVKRJZPTDSAAS-GFCCVEGCSA-N 1 0 294.311 1.047 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2cc(CN3CC[NH2+]CC3)on2)o1 ZINC000901398717 624220361 /nfs/dbraw/zinc/22/03/61/624220361.db2.gz HBFNNIWYCMDUKK-UHFFFAOYSA-N 1 0 278.268 1.248 20 5 CDBDRO COCCOc1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905047399 626384660 /nfs/dbraw/zinc/38/46/60/626384660.db2.gz FMDHKIFCTXZHQI-UHFFFAOYSA-N 1 0 254.286 1.078 20 5 CDBDRO CCN(CC)[C@H](C[NH2+]CC[N+](=O)[O-])c1ccco1 ZINC000905066839 626614454 /nfs/dbraw/zinc/61/44/54/626614454.db2.gz UENKVEIDLDNEPW-LLVKDONJSA-N 1 0 255.318 1.529 20 5 CDBDRO C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+]CC[N+](=O)[O-] ZINC000905132201 626646713 /nfs/dbraw/zinc/64/67/13/626646713.db2.gz KPPPQIKPYGBWCS-AWEZNQCLSA-N 1 0 292.383 1.063 20 5 CDBDRO COc1ccc([C@@H](OC)[C@@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000905197050 626673869 /nfs/dbraw/zinc/67/38/69/626673869.db2.gz UIIAEWGOTBJWKH-MFKMUULPSA-N 1 0 268.313 1.638 20 5 CDBDRO Cc1ccccc1[C@@H]([C@@H](C)NCC[N+](=O)[O-])[NH+](C)C ZINC000905231398 626685845 /nfs/dbraw/zinc/68/58/45/626685845.db2.gz SSBDMGWTXXAWFN-TZMCWYRMSA-N 1 0 265.357 1.853 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000905363669 626783746 /nfs/dbraw/zinc/78/37/46/626783746.db2.gz ZXEWJEMLCTXLOS-VIFPVBQESA-N 1 0 279.123 1.893 20 5 CDBDRO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]CC[N+](=O)[O-] ZINC000905363833 626783854 /nfs/dbraw/zinc/78/38/54/626783854.db2.gz GUKRPHQJLPFQIZ-SKDRFNHKSA-N 1 0 256.277 1.504 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000905415360 626804553 /nfs/dbraw/zinc/80/45/53/626804553.db2.gz GIXBBYMNBQGPIE-NSHDSACASA-N 1 0 258.705 1.110 20 5 CDBDRO COCC1C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000905971971 627061932 /nfs/dbraw/zinc/06/19/32/627061932.db2.gz PVZLHSBEBYPRHT-UHFFFAOYSA-N 1 0 293.323 1.502 20 5 CDBDRO CC[NH2+]CCCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911687931 629417052 /nfs/dbraw/zinc/41/70/52/629417052.db2.gz KVQJHYJXYJAVDN-ZIAGYGMSSA-N 1 0 291.351 1.814 20 5 CDBDRO O=C(N[C@@H]1CC[NH2+]C1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911698497 629422729 /nfs/dbraw/zinc/42/27/29/629422729.db2.gz JOFXKDCFSMCCLQ-RTXFEEFZSA-N 1 0 275.308 1.176 20 5 CDBDRO O=C(NCCn1ccnc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152709808 631326811 /nfs/dbraw/zinc/32/68/11/631326811.db2.gz ZEBMVDPPKWJHKL-UHFFFAOYSA-N 1 0 294.698 1.875 20 5 CDBDRO CCOCC[N@H+](CC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154174990 632075282 /nfs/dbraw/zinc/07/52/82/632075282.db2.gz HKHABDBDIZMYNF-CQSZACIVSA-N 1 0 282.340 1.987 20 5 CDBDRO O=[N+]([O-])c1cnn(CN2CC[NH+](C3CCCCC3)CC2)c1 ZINC000165225793 1158493616 /nfs/dbraw/zinc/49/36/16/1158493616.db2.gz BBTFRXDZJARUHS-UHFFFAOYSA-N 1 0 293.371 1.699 20 5 CDBDRO CC[C@@H](C)[N@H+](CCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000805792453 1162613684 /nfs/dbraw/zinc/61/36/84/1162613684.db2.gz UZAHNCMOBOLLSP-BXUZGUMPSA-N 1 0 282.340 1.721 20 5 CDBDRO CC(C)N(c1cc(N)c([N+](=O)[O-])cn1)[C@@H]1CC[NH2+]C1 ZINC001158026571 1162690061 /nfs/dbraw/zinc/69/00/61/1162690061.db2.gz YPEXQXNKYNNPDF-SECBINFHSA-N 1 0 265.317 1.149 20 5 CDBDRO Cc1c(F)cnc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)c1[N+](=O)[O-] ZINC001168808859 1161988070 /nfs/dbraw/zinc/98/80/70/1161988070.db2.gz OEFMRAVYHWZFHW-SECBINFHSA-N 1 0 291.286 1.439 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2cccc(O)c2)C1 ZINC001168967539 1161996285 /nfs/dbraw/zinc/99/62/85/1161996285.db2.gz QJNNIXUEJBDTIP-QWHCGFSZSA-N 1 0 264.325 1.970 20 5 CDBDRO C[C@@]1(C[NH3+])CCCN(c2cccc([N+](=O)[O-])n2)C1 ZINC001158674935 1163391536 /nfs/dbraw/zinc/39/15/36/1163391536.db2.gz FVLCFJYVJUPAOH-LBPRGKRZSA-N 1 0 250.302 1.555 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCCC[C@@H]2O)cc1 ZINC000106059846 1163795482 /nfs/dbraw/zinc/79/54/82/1163795482.db2.gz SVAWUIVIJNMDQI-IHRRRGAJSA-N 1 0 280.324 1.521 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001159020085 1163974885 /nfs/dbraw/zinc/97/48/85/1163974885.db2.gz SLCPBSJWDKXHTJ-UHFFFAOYSA-N 1 0 293.283 1.088 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)cc1NC[C@H]1COCC[NH2+]1 ZINC001159042510 1164010912 /nfs/dbraw/zinc/01/09/12/1164010912.db2.gz GXIBFXOWCZBTMG-ZETCQYMHSA-N 1 0 272.692 1.044 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCOC1 ZINC000866311911 1164766639 /nfs/dbraw/zinc/76/66/39/1164766639.db2.gz WWEGEZLPYNHABY-YGRLFVJLSA-N 1 0 298.314 1.406 20 5 CDBDRO [NH3+][C@H]1CC[C@H](C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000870894460 1165228689 /nfs/dbraw/zinc/22/86/89/1165228689.db2.gz UPKPWFUAIGDISC-JOCQHMNTSA-N 1 0 291.351 1.771 20 5 CDBDRO Cc1c(C[NH2+]C[C@H](O)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000873062174 1165508516 /nfs/dbraw/zinc/50/85/16/1165508516.db2.gz ZAUSPZVYSCFZKV-AWEZNQCLSA-N 1 0 290.323 1.460 20 5 CDBDRO COC[C@@H](O)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873120820 1165512762 /nfs/dbraw/zinc/51/27/62/1165512762.db2.gz APJMBFPVRXIMFY-NSHDSACASA-N 1 0 268.313 1.309 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879696077 1166397313 /nfs/dbraw/zinc/39/73/13/1166397313.db2.gz HOBYNNVRHQCNTF-UPJWGTAASA-N 1 0 294.351 1.497 20 5 CDBDRO Cc1ccnc(NCC[C@@H]2CCOC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001155472118 1167186520 /nfs/dbraw/zinc/18/65/20/1167186520.db2.gz YHBGJPTYVAOFJE-LLVKDONJSA-N 1 0 292.339 1.479 20 5 CDBDRO CON(CC[NH3+])C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001579103395 1172095224 /nfs/dbraw/zinc/09/52/24/1172095224.db2.gz AMJODZWUGOJVNW-UHFFFAOYSA-N 1 0 293.323 1.365 20 5 CDBDRO C[C@@H](NC(=O)OC1C[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001579413245 1172171321 /nfs/dbraw/zinc/17/13/21/1172171321.db2.gz UZDAKOFLBVWMRE-MRVPVSSYSA-N 1 0 265.269 1.354 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)CCCC[NH3+])n1 ZINC001579642578 1172233323 /nfs/dbraw/zinc/23/33/23/1172233323.db2.gz LMTNQDGFCZEXPO-VIFPVBQESA-N 1 0 280.328 1.546 20 5 CDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)C1=CCC[NH2+]CC1 ZINC001580699693 1172516860 /nfs/dbraw/zinc/51/68/60/1172516860.db2.gz XSFPZIAEDCWKTD-UHFFFAOYSA-N 1 0 289.335 1.563 20 5 CDBDRO C[C@@H]1CC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001603912897 1175683131 /nfs/dbraw/zinc/68/31/31/1175683131.db2.gz UBHDOEWFUUYGPR-SECBINFHSA-N 1 0 288.311 1.617 20 5 CDBDRO Cc1ccc(NC(=O)CO[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000843358630 813325759 /nfs/dbraw/zinc/32/57/59/813325759.db2.gz IZTAYELDOUOEEI-LBPRGKRZSA-N 1 0 293.323 1.610 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000070172212 805092245 /nfs/dbraw/zinc/09/22/45/805092245.db2.gz HMSXMGLWYCCHMM-NXEZZACHSA-N 1 0 280.328 1.133 20 5 CDBDRO C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000133799866 805228975 /nfs/dbraw/zinc/22/89/75/805228975.db2.gz DPLXONOSDCPEJT-DGCLKSJQSA-N 1 0 279.340 1.451 20 5 CDBDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886234601 805368783 /nfs/dbraw/zinc/36/87/83/805368783.db2.gz QYDCOYAPMHXVQC-CYBMUJFWSA-N 1 0 278.356 1.906 20 5 CDBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886222702 811326547 /nfs/dbraw/zinc/32/65/47/811326547.db2.gz ADMLQLGIHUCRBL-NEPJUHHUSA-N 1 0 265.313 1.583 20 5 CDBDRO C[C@@H](Cn1ccnc1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818959074 811363081 /nfs/dbraw/zinc/36/30/81/811363081.db2.gz BYUQVKQEWIUAAN-FZMZJTMJSA-N 1 0 290.323 1.503 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCCC[C@H]2O)c1 ZINC000843074122 811459490 /nfs/dbraw/zinc/45/94/90/811459490.db2.gz WWCVVMPMSUICCU-CFVMTHIKSA-N 1 0 294.351 1.769 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000882959402 811774844 /nfs/dbraw/zinc/77/48/44/811774844.db2.gz FERVLTJZUHJNTE-SNVBAGLBSA-N 1 0 294.311 1.283 20 5 CDBDRO C[NH2+][C@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886828131 811832220 /nfs/dbraw/zinc/83/22/20/811832220.db2.gz XVXMTBXOIVDIQJ-NSHDSACASA-N 1 0 250.302 1.174 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000783579315 811885713 /nfs/dbraw/zinc/88/57/13/811885713.db2.gz CHZRVHCZTHXMQQ-GHMZBOCLSA-N 1 0 281.743 1.899 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2CC3(C2)OCCO3)c1 ZINC000922804093 811892385 /nfs/dbraw/zinc/89/23/85/811892385.db2.gz QSOHNWVDIPYOJU-UHFFFAOYSA-N 1 0 278.308 1.838 20 5 CDBDRO O=C(OC[C@@H]1CC[N@@H+]1Cc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000851468828 811957425 /nfs/dbraw/zinc/95/74/25/811957425.db2.gz GSFNRMUKKXOQTQ-BFHYXJOUSA-N 1 0 290.319 1.469 20 5 CDBDRO CCN(CC)C[C@@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158637941 812055425 /nfs/dbraw/zinc/05/54/25/812055425.db2.gz FBDQIUUTUGPCBF-IUODEOHRSA-N 1 0 295.383 1.948 20 5 CDBDRO CNCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841038107 812065041 /nfs/dbraw/zinc/06/50/41/812065041.db2.gz VWJUAHRCVYOXDU-UHFFFAOYSA-N 1 0 278.356 1.373 20 5 CDBDRO CC[N@@H+]1CCN(Cc2cccnc2[N+](=O)[O-])[C@@H](C)C1 ZINC000886203506 812092518 /nfs/dbraw/zinc/09/25/18/812092518.db2.gz WTGCUPNSZBCXEH-NSHDSACASA-N 1 0 264.329 1.516 20 5 CDBDRO Nc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+]2CCCO)c1 ZINC000828422133 812208209 /nfs/dbraw/zinc/20/82/09/812208209.db2.gz OKCBVIGWEQMWGN-GFCCVEGCSA-N 1 0 294.355 1.436 20 5 CDBDRO C[C@H](CCO)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843079530 812367455 /nfs/dbraw/zinc/36/74/55/812367455.db2.gz YIKXDXKFQREJNS-MFKMUULPSA-N 1 0 268.313 1.236 20 5 CDBDRO Cc1cc(C(=O)NC[C@H]2CCCC[NH2+]2)c(N)c([N+](=O)[O-])c1 ZINC000130610997 812537618 /nfs/dbraw/zinc/53/76/18/812537618.db2.gz CQYFBRUOIPDCJM-SNVBAGLBSA-N 1 0 292.339 1.357 20 5 CDBDRO CC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)COC1 ZINC000819063479 812725015 /nfs/dbraw/zinc/72/50/15/812725015.db2.gz NJBIKTXDRQJAAM-GFCCVEGCSA-N 1 0 266.297 1.254 20 5 CDBDRO CON(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000858325943 812861213 /nfs/dbraw/zinc/86/12/13/812861213.db2.gz RQHCEDRBFARULO-SNVBAGLBSA-N 1 0 281.312 1.401 20 5 CDBDRO CC[C@H](C)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000887059239 812863499 /nfs/dbraw/zinc/86/34/99/812863499.db2.gz LZSLRTXKQXKRPO-GWCFXTLKSA-N 1 0 279.340 1.627 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](CO)CC2CCC2)cc1 ZINC000843118611 812886081 /nfs/dbraw/zinc/88/60/81/812886081.db2.gz OFMKYIFLFKRDSL-UKRRQHHQSA-N 1 0 294.351 1.769 20 5 CDBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2CC[N+](=O)[O-])C1 ZINC000930299808 812889616 /nfs/dbraw/zinc/88/96/16/812889616.db2.gz JFBGNKMMDPYPIH-MQYQWHSLSA-N 1 0 270.373 1.915 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NOC2CC[NH+](C)CC2)c1 ZINC000846648826 813013217 /nfs/dbraw/zinc/01/32/17/813013217.db2.gz XNDMJYBGGBLTPP-UHFFFAOYSA-N 1 0 293.323 1.659 20 5 CDBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000700631651 813049202 /nfs/dbraw/zinc/04/92/02/813049202.db2.gz KXBUCMZIEJLKGT-UHFFFAOYSA-N 1 0 269.688 1.294 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000702057676 813098138 /nfs/dbraw/zinc/09/81/38/813098138.db2.gz YPPKLDJRIRRNMN-SECBINFHSA-N 1 0 283.715 1.812 20 5 CDBDRO C[N@H+]1CC=C(CNc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000800862404 813222354 /nfs/dbraw/zinc/22/23/54/813222354.db2.gz OUKJJCDKKMBSDM-UHFFFAOYSA-N 1 0 262.313 1.851 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000931278428 813313422 /nfs/dbraw/zinc/31/34/22/813313422.db2.gz CQGWCNGPDBQPHL-BARDWOONSA-N 1 0 291.351 1.120 20 5 CDBDRO C[NH+](C)CC1CN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000853652085 813321738 /nfs/dbraw/zinc/32/17/38/813321738.db2.gz ZTCGGEGXUFRLBZ-UHFFFAOYSA-N 1 0 253.277 1.732 20 5 CDBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000785726458 813523396 /nfs/dbraw/zinc/52/33/96/813523396.db2.gz DEEAABLAVOMELS-PHIMTYICSA-N 1 0 296.327 1.207 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000701921899 813554959 /nfs/dbraw/zinc/55/49/59/813554959.db2.gz AQNYTXCNVHKRGF-SSDOTTSWSA-N 1 0 271.704 1.586 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCC[C@H]2CO)cc1 ZINC000300730721 813724736 /nfs/dbraw/zinc/72/47/36/813724736.db2.gz MCCSRCWJQRRDHU-FPMFFAJLSA-N 1 0 280.324 1.379 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000702061284 813735622 /nfs/dbraw/zinc/73/56/22/813735622.db2.gz AGOUBPRDTNCQFU-VIFPVBQESA-N 1 0 297.742 1.930 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2CCC(C[NH3+])CC2)c1[N+](=O)[O-] ZINC000237657068 813809190 /nfs/dbraw/zinc/80/91/90/813809190.db2.gz ZXGQBBXUCNTJSP-UHFFFAOYSA-N 1 0 295.314 1.853 20 5 CDBDRO COc1cccc(C(=O)N(C)C[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000877102721 813810765 /nfs/dbraw/zinc/81/07/65/813810765.db2.gz MQDRSZZQYYTRQN-QMMMGPOBSA-N 1 0 267.285 1.023 20 5 CDBDRO CCN(CCC[NH+](C)C)c1ccnc(F)c1[N+](=O)[O-] ZINC000882241846 813827259 /nfs/dbraw/zinc/82/72/59/813827259.db2.gz PALOVAOYSWBSES-UHFFFAOYSA-N 1 0 270.308 1.907 20 5 CDBDRO CC[N@H+](C)C[C@@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000173497532 814350157 /nfs/dbraw/zinc/35/01/57/814350157.db2.gz DSZFLLBRCCMCLC-NSHDSACASA-N 1 0 267.333 1.022 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])o1)C1CCC([NH3+])CC1 ZINC000091845646 814372957 /nfs/dbraw/zinc/37/29/57/814372957.db2.gz IUQMGKLGKBWFEA-UHFFFAOYSA-N 1 0 267.285 1.530 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](CO)CC1 ZINC000886218658 814386157 /nfs/dbraw/zinc/38/61/57/814386157.db2.gz ZZOQTXYPKBXQCF-LLVKDONJSA-N 1 0 265.313 1.584 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](O)C(F)(F)F)c1 ZINC000843062398 814406972 /nfs/dbraw/zinc/40/69/72/814406972.db2.gz IGGXSHQTYSSAEI-ZJUUUORDSA-N 1 0 294.229 1.141 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886816537 814606183 /nfs/dbraw/zinc/60/61/83/814606183.db2.gz VKDSAJRQFOYIMJ-DGCLKSJQSA-N 1 0 277.324 1.991 20 5 CDBDRO CC(C)(C)CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002789061 814680019 /nfs/dbraw/zinc/68/00/19/814680019.db2.gz RPYPOZYIHLLWOC-CHWSQXEVSA-N 1 0 297.399 1.668 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700608089 814768371 /nfs/dbraw/zinc/76/83/71/814768371.db2.gz DIJKSQSKRSTUNM-ZETCQYMHSA-N 1 0 271.704 1.715 20 5 CDBDRO Cc1c(C[NH2+][C@H]2CC[C@@H](O)[C@@H](O)CC2)cccc1[N+](=O)[O-] ZINC000886262615 816770659 /nfs/dbraw/zinc/77/06/59/816770659.db2.gz VXQGKGKNXOSRGG-YOWGUQMCSA-N 1 0 294.351 1.657 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000105908955 816788672 /nfs/dbraw/zinc/78/86/72/816788672.db2.gz PEUTUFPLOXTZOB-STQMWFEESA-N 1 0 266.297 1.397 20 5 CDBDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886170027 816794241 /nfs/dbraw/zinc/79/42/41/816794241.db2.gz NPIBLKHIYMJKDX-BXKDBHETSA-N 1 0 251.286 1.647 20 5 CDBDRO [NH3+]C1CCC(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000131713957 816815566 /nfs/dbraw/zinc/81/55/66/816815566.db2.gz QTBROZFRICJTOT-UHFFFAOYSA-N 1 0 291.351 1.914 20 5 CDBDRO Cc1c(NC(=O)[C@@H]([NH3+])CC2CC2)cccc1[N+](=O)[O-] ZINC000311575479 816830981 /nfs/dbraw/zinc/83/09/81/816830981.db2.gz GNWXIRGBBDOKSD-JTQLQIEISA-N 1 0 263.297 1.969 20 5 CDBDRO CC(C)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001000675144 816866271 /nfs/dbraw/zinc/86/62/71/816866271.db2.gz RQQWTMCULGJBIG-CHWSQXEVSA-N 1 0 281.356 1.056 20 5 CDBDRO COC[C@@H](O)CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873099641 816877790 /nfs/dbraw/zinc/87/77/90/816877790.db2.gz PMSNYTNQBRZNQL-LBPRGKRZSA-N 1 0 282.340 1.699 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH3+])CCC2)c1C ZINC000884247193 817003343 /nfs/dbraw/zinc/00/33/43/817003343.db2.gz MIUPLDWCSLTDMK-UHFFFAOYSA-N 1 0 277.324 1.823 20 5 CDBDRO COCC[N@H+](C)CCCNCc1cccc([N+](=O)[O-])c1C ZINC000873012959 817040133 /nfs/dbraw/zinc/04/01/33/817040133.db2.gz ZSXQQOPMBUBMFM-UHFFFAOYSA-N 1 0 295.383 1.961 20 5 CDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cn1cc([N+](=O)[O-])cn1 ZINC000808191085 817135392 /nfs/dbraw/zinc/13/53/92/817135392.db2.gz KKNRVYRDKINNRE-AAEUAGOBSA-N 1 0 279.344 1.307 20 5 CDBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581127 817458651 /nfs/dbraw/zinc/45/86/51/817458651.db2.gz DYQMFUYMZAKVGN-MFKMUULPSA-N 1 0 250.298 1.970 20 5 CDBDRO CCN(CCOc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000886854346 817490352 /nfs/dbraw/zinc/49/03/52/817490352.db2.gz KRQSRTSRNXIMQI-ZDUSSCGKSA-N 1 0 279.340 1.657 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000882479097 817755510 /nfs/dbraw/zinc/75/55/10/817755510.db2.gz MQIOQEKOBPQMOI-LLVKDONJSA-N 1 0 292.339 1.461 20 5 CDBDRO [NH3+]CCN(CCO)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841059381 817780078 /nfs/dbraw/zinc/78/00/78/817780078.db2.gz RAAINCVEGZVPNF-UHFFFAOYSA-N 1 0 273.720 1.001 20 5 CDBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000825279945 817800967 /nfs/dbraw/zinc/80/09/67/817800967.db2.gz VIOFIPGCLFIPET-ZJUUUORDSA-N 1 0 297.742 1.992 20 5 CDBDRO C[C@@H]([NH3+])C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000104143658 817862634 /nfs/dbraw/zinc/86/26/34/817862634.db2.gz ZCJVRLNUVGJOHX-SECBINFHSA-N 1 0 250.302 1.553 20 5 CDBDRO C[NH2+]CCc1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000822807778 817872301 /nfs/dbraw/zinc/87/23/01/817872301.db2.gz HACJDUNLOJZSMA-UHFFFAOYSA-N 1 0 262.269 1.715 20 5 CDBDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000857084176 817893008 /nfs/dbraw/zinc/89/30/08/817893008.db2.gz KEFIWWNQVSHARW-JOYOIKCWSA-N 1 0 292.339 1.448 20 5 CDBDRO Cc1cnn(C)c1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809735005 817935662 /nfs/dbraw/zinc/93/56/62/817935662.db2.gz PVFPKZKQZZDFRT-UHFFFAOYSA-N 1 0 289.339 1.602 20 5 CDBDRO COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1CC[N@H+](C)C1 ZINC001233979609 1167391817 /nfs/dbraw/zinc/39/18/17/1167391817.db2.gz ABEJQTYCXLFHLV-LBPRGKRZSA-N 1 0 280.324 1.597 20 5 CDBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC001339468441 1167484064 /nfs/dbraw/zinc/48/40/64/1167484064.db2.gz VHUQVFMXJSOHIW-JTQLQIEISA-N 1 0 296.375 1.166 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC2(C[NH3+])CC2)c1F ZINC001173182008 912281551 /nfs/dbraw/zinc/28/15/51/912281551.db2.gz XWIWHXYRVNWRGZ-SECBINFHSA-N 1 0 297.330 1.754 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](C)CO)c1F ZINC001173174894 912279536 /nfs/dbraw/zinc/27/95/36/912279536.db2.gz FLKOCWXWGLVSAZ-DTWKUNHWSA-N 1 0 286.303 1.644 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCCO)c1F ZINC001173175609 912282857 /nfs/dbraw/zinc/28/28/57/912282857.db2.gz PVSKXCYTOMOEMM-VIFPVBQESA-N 1 0 286.303 1.646 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](O)C1 ZINC001173229278 912320682 /nfs/dbraw/zinc/32/06/82/912320682.db2.gz SFBIJCQKPUZOQU-GXFFZTMASA-N 1 0 250.298 1.592 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CC[NH3+] ZINC001121930526 913247131 /nfs/dbraw/zinc/24/71/31/913247131.db2.gz LDBMEWFKTWPRFT-MRVPVSSYSA-N 1 0 283.353 1.784 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1-n1ccnc1[C@H]1CCC[NH2+]C1 ZINC001167056332 894070173 /nfs/dbraw/zinc/07/01/73/894070173.db2.gz QFETYFQVMVYKNI-NSHDSACASA-N 1 0 287.323 1.951 20 5 CDBDRO CCOC(=O)c1cnc(N[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001167269969 895008988 /nfs/dbraw/zinc/00/89/88/895008988.db2.gz GOLZCXDLBGURLT-JTQLQIEISA-N 1 0 294.311 1.283 20 5 CDBDRO C[NH+]1C[C@@H]2CN(c3nc(Cl)ncc3[N+](=O)[O-])C[C@H]2C1 ZINC000706253978 895218012 /nfs/dbraw/zinc/21/80/12/895218012.db2.gz LBPFABHBHPCTHH-HTQZYQBOSA-N 1 0 283.719 1.036 20 5 CDBDRO COC(=O)c1cccc(O)c1CO[C@H](C)C[N+](C)(C)C ZINC001217892229 897999387 /nfs/dbraw/zinc/99/93/87/897999387.db2.gz NQBHRYOSRGGKPP-LLVKDONJSA-O 1 0 282.360 1.790 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1c(Cl)nccc1[N+](=O)[O-] ZINC001167689782 898201930 /nfs/dbraw/zinc/20/19/30/898201930.db2.gz ALQAKXLXJOYKAE-UHFFFAOYSA-N 1 0 279.687 1.372 20 5 CDBDRO O=[N+]([O-])c1cnc(O[C@H]2CC[NH2+]C2)c(C(F)(F)F)c1 ZINC001218176917 898457689 /nfs/dbraw/zinc/45/76/89/898457689.db2.gz KWKRLTOVGLJKET-ZETCQYMHSA-N 1 0 277.202 1.749 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227109193 906046849 /nfs/dbraw/zinc/04/68/49/906046849.db2.gz SZXLOAPXYRIRHJ-VIFPVBQESA-N 1 0 282.256 1.371 20 5 CDBDRO COC(=O)c1cccc(O[C@H](C)C[N+](C)(C)C)c1[N+](=O)[O-] ZINC001227897684 906738987 /nfs/dbraw/zinc/73/89/87/906738987.db2.gz SMZWGMCEONEHQI-SNVBAGLBSA-N 1 0 297.331 1.855 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000160380203 909971146 /nfs/dbraw/zinc/97/11/46/909971146.db2.gz ITQQAIFBRKSOMS-VIFPVBQESA-N 1 0 297.742 1.930 20 5 CDBDRO CC(C)OCCOCCOCCOCCC[N+](C)(C)C ZINC001224621047 909976161 /nfs/dbraw/zinc/97/61/61/909976161.db2.gz JKJLYDPRASCKCK-UHFFFAOYSA-N 1 0 292.440 1.558 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CNC(=O)C1 ZINC001254539107 936406655 /nfs/dbraw/zinc/40/66/55/936406655.db2.gz BUSPEXYTDPTAKC-KOLCDFICSA-N 1 0 263.297 1.004 20 5 CDBDRO CCC1(Nc2ccc3c([N+](=O)[O-])c[nH]c3n2)C[NH2+]C1 ZINC001168581404 919276698 /nfs/dbraw/zinc/27/66/98/919276698.db2.gz WAICNISTUOFKRX-UHFFFAOYSA-N 1 0 261.285 1.635 20 5 CDBDRO CCC1(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[NH2+]C1 ZINC001168587878 919340171 /nfs/dbraw/zinc/34/01/71/919340171.db2.gz ZGCZRYPDRQCZGW-UHFFFAOYSA-N 1 0 299.352 1.162 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1-c1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000842665691 937070112 /nfs/dbraw/zinc/07/01/12/937070112.db2.gz WABAKIXOMQTLNY-MRVPVSSYSA-N 1 0 277.284 1.450 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC[C@]1(F)CCCC[NH2+]C1 ZINC001155116671 926548241 /nfs/dbraw/zinc/54/82/41/926548241.db2.gz LKCXTRXUBQZMSJ-ZDUSSCGKSA-N 1 0 298.318 1.430 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2nccc2C[NH3+])n1 ZINC001155125623 926571695 /nfs/dbraw/zinc/57/16/95/926571695.db2.gz TUPQRETWTJUCQZ-UHFFFAOYSA-N 1 0 267.676 1.596 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1cccc(C)c1[N+](=O)[O-] ZINC001168985744 927574653 /nfs/dbraw/zinc/57/46/53/927574653.db2.gz GWYJFFXOCGUEJN-UHFFFAOYSA-N 1 0 261.285 1.294 20 5 CDBDRO Cc1cnc(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)nc1 ZINC001168962413 927584448 /nfs/dbraw/zinc/58/44/48/927584448.db2.gz MMRSHZQWOVJJBG-NEPJUHHUSA-N 1 0 264.329 1.363 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H](CO)Cc2ccccc2)C1 ZINC001168965074 927586729 /nfs/dbraw/zinc/58/67/29/927586729.db2.gz XSBUBOJGKOUJNA-SOUVJXGZSA-N 1 0 278.352 1.625 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc3nonc3c2)C1 ZINC001168965656 927589895 /nfs/dbraw/zinc/58/98/95/927589895.db2.gz BORJAVKQEZQCKK-WDEREUQCSA-N 1 0 276.296 1.758 20 5 CDBDRO CCOc1cc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)ncn1 ZINC001168997003 927603579 /nfs/dbraw/zinc/60/35/79/927603579.db2.gz AWHNJNAJIBJFLO-QWRGUYRKSA-N 1 0 280.328 1.410 20 5 CDBDRO CCCC[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(N)=O ZINC001169004926 927608990 /nfs/dbraw/zinc/60/89/90/927608990.db2.gz SFESRXQRVLGJHI-DCAQKATOSA-N 1 0 257.334 1.066 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cncn2CCF)C1 ZINC001169004567 927609632 /nfs/dbraw/zinc/60/96/32/927609632.db2.gz REWGAEUBAFIZJB-QWRGUYRKSA-N 1 0 270.308 1.388 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cncn2CCF)C1 ZINC001169004563 927609722 /nfs/dbraw/zinc/60/97/22/927609722.db2.gz REWGAEUBAFIZJB-GHMZBOCLSA-N 1 0 270.308 1.388 20 5 CDBDRO [NH2+]=C(N[C@@H]1CC[C@H](C[N+](=O)[O-])C1)n1nnc2ccccc21 ZINC001169007375 927611819 /nfs/dbraw/zinc/61/18/19/927611819.db2.gz MYQYCHPXBLJTAY-VHSXEESVSA-N 1 0 288.311 1.249 20 5 CDBDRO CN(C)C(=O)N1CCC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168987289 927621998 /nfs/dbraw/zinc/62/19/98/927621998.db2.gz HYBXLMNMJBENOH-AVGNSLFASA-N 1 0 298.387 1.167 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(CO)CCSCC2)C1 ZINC001168988420 927624962 /nfs/dbraw/zinc/62/49/62/927624962.db2.gz SAQCPHGRDTVVMA-QWRGUYRKSA-N 1 0 274.386 1.280 20 5 CDBDRO O=C1NCCCC12CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169034155 927641591 /nfs/dbraw/zinc/64/15/91/927641591.db2.gz FPLIFFOOWPSDKB-STQMWFEESA-N 1 0 295.383 1.424 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCc3nccn3CC2)C1 ZINC001169036573 927647135 /nfs/dbraw/zinc/64/71/35/927647135.db2.gz GSVSPCTUPHGUSE-RYUDHWBXSA-N 1 0 264.329 1.187 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@]3(C2)CC(F)(F)CO3)C1 ZINC001169039003 927650577 /nfs/dbraw/zinc/65/05/77/927650577.db2.gz MICJXDADPLHUSI-IJLUTSLNSA-N 1 0 290.310 1.932 20 5 CDBDRO COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169052494 927670221 /nfs/dbraw/zinc/67/02/21/927670221.db2.gz GGJKJQQHOUOVLM-JHJVBQTASA-N 1 0 284.356 1.707 20 5 CDBDRO C[C@@H]1CN(C2C[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C[C@@H](C)O1 ZINC001169053119 927671577 /nfs/dbraw/zinc/67/15/77/927671577.db2.gz HMLNHJAGTCXHOJ-YIYPIFLZSA-N 1 0 297.399 1.225 20 5 CDBDRO CN1C(=O)CCC12CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169055816 927672967 /nfs/dbraw/zinc/67/29/67/927672967.db2.gz QNMKGZCNFADUPV-OLZOCXBDSA-N 1 0 295.383 1.519 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1NCC[C@H]1CCC[NH2+]1 ZINC001169558642 928173381 /nfs/dbraw/zinc/17/33/81/928173381.db2.gz LAJODPLRQZKFQS-MRVPVSSYSA-N 1 0 286.719 1.436 20 5 CDBDRO [NH3+]Cc1ccn(-c2ncnc3sc([N+](=O)[O-])cc32)c1 ZINC001169725591 928345016 /nfs/dbraw/zinc/34/50/16/928345016.db2.gz OKPMFFHZOLOEMW-UHFFFAOYSA-N 1 0 275.293 1.849 20 5 CDBDRO [NH3+]Cc1cccn1-c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001156723706 928944712 /nfs/dbraw/zinc/94/47/12/928944712.db2.gz CAJCHIXKMXKISQ-UHFFFAOYSA-N 1 0 288.094 1.941 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@H](C)[NH3+] ZINC000859677451 929049917 /nfs/dbraw/zinc/04/99/17/929049917.db2.gz SHUGBPWIYQFGOI-QMMMGPOBSA-N 1 0 282.300 1.414 20 5 CDBDRO CN(c1cc([N+](=O)[O-])c2nccn2c1)C(C)(C)C[NH3+] ZINC001170058894 929233153 /nfs/dbraw/zinc/23/31/53/929233153.db2.gz GMVMOJFMKQJJMV-UHFFFAOYSA-N 1 0 263.301 1.416 20 5 CDBDRO C[NH+]1CC(CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001159223085 929825568 /nfs/dbraw/zinc/82/55/68/929825568.db2.gz WQDZIDFJQDUMGV-UHFFFAOYSA-N 1 0 273.296 1.512 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000882484903 930011809 /nfs/dbraw/zinc/01/18/09/930011809.db2.gz NFPNVAAAXJLIBF-SNVBAGLBSA-N 1 0 281.287 1.558 20 5 CDBDRO CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[N@@H+]1C ZINC000817290470 930474008 /nfs/dbraw/zinc/47/40/08/930474008.db2.gz DAXOIYGRYNBXPO-GJZGRUSLSA-N 1 0 293.367 1.654 20 5 CDBDRO CCOC(=O)CN(CC[NH3+])c1c(C)cccc1[N+](=O)[O-] ZINC001170994461 931190142 /nfs/dbraw/zinc/19/01/42/931190142.db2.gz RKEYCLXVZQMHOY-UHFFFAOYSA-N 1 0 281.312 1.231 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000843504892 931503918 /nfs/dbraw/zinc/50/39/18/931503918.db2.gz DFYZNQJGQOJVST-DTWKUNHWSA-N 1 0 299.302 1.355 20 5 CDBDRO [NH3+]Cc1cn(-c2nc3ccccc3cc2[N+](=O)[O-])cn1 ZINC001154909715 937603669 /nfs/dbraw/zinc/60/36/69/937603669.db2.gz UFJCBBVIZJEZDW-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)C[C@H](C)[NH3+])c1F ZINC001246980490 932581908 /nfs/dbraw/zinc/58/19/08/932581908.db2.gz IWJQNDAPUGDRFK-UWVGGRQHSA-N 1 0 299.346 1.953 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@H]1CCCC[NH2+]1 ZINC001171328254 932681871 /nfs/dbraw/zinc/68/18/71/932681871.db2.gz RDBXMMXQIYKPIP-SECBINFHSA-N 1 0 266.301 1.552 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)[NH+](C)C ZINC001118724422 937659105 /nfs/dbraw/zinc/65/91/05/937659105.db2.gz AJLMPHPWNZWAKR-SNVBAGLBSA-N 1 0 294.355 1.707 20 5 CDBDRO COCCOC[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC001120037800 937775947 /nfs/dbraw/zinc/77/59/47/937775947.db2.gz LOMPSCQKYSIWTK-LBPRGKRZSA-N 1 0 282.340 1.778 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@H]2C[NH+]3CCC2CC3)c(F)c1 ZINC001120977592 937851382 /nfs/dbraw/zinc/85/13/82/937851382.db2.gz LYTFJYSOWAXYIV-NSHDSACASA-N 1 0 266.276 1.635 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1nccc(Cl)c1[N+](=O)[O-] ZINC001156849817 938425356 /nfs/dbraw/zinc/42/53/56/938425356.db2.gz FJEXPHCRVWQDBF-UHFFFAOYSA-N 1 0 279.687 1.372 20 5 CDBDRO Cc1cc(Cl)nc(-n2ccc(C[NH3+])cc2=N)c1[N+](=O)[O-] ZINC001156849784 938425477 /nfs/dbraw/zinc/42/54/77/938425477.db2.gz CRWZGZSSAZMNNG-UHFFFAOYSA-N 1 0 293.714 1.680 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(C)[C@@]1(C)CCC[NH2+]C1 ZINC001156968469 938440170 /nfs/dbraw/zinc/44/01/70/938440170.db2.gz TVHXQNQWFVMHGS-ZDUSSCGKSA-N 1 0 280.328 1.115 20 5 CDBDRO Cc1cc(Cl)nc(N2C[C@@H]3C[NH2+][C@@H]3C2)c1[N+](=O)[O-] ZINC001157619943 938520992 /nfs/dbraw/zinc/52/09/92/938520992.db2.gz SVHNKVHUFXGNCU-JGVFFNPUSA-N 1 0 268.704 1.360 20 5 CDBDRO [NH3+][C@@H]1CCc2nn(-c3cc(Cl)cc([N+](=O)[O-])n3)cc2C1 ZINC001157990734 938573090 /nfs/dbraw/zinc/57/30/90/938573090.db2.gz WPOXCPYCPFIVLN-SECBINFHSA-N 1 0 293.714 1.645 20 5 CDBDRO Nc1cc(-n2cnc3ccc(C[NH3+])cc32)ncc1[N+](=O)[O-] ZINC001158006607 938574592 /nfs/dbraw/zinc/57/45/92/938574592.db2.gz YHMSPSWRRGOAQH-UHFFFAOYSA-N 1 0 284.279 1.370 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC3(C[NH2+]C3)CC2)c(Cl)c1 ZINC001159039866 938694598 /nfs/dbraw/zinc/69/45/98/938694598.db2.gz RDUFPSCVUVUYQP-UHFFFAOYSA-N 1 0 282.731 1.833 20 5 CDBDRO CCOc1nc(N(C)C(C)(C)C[NH3+])ccc1[N+](=O)[O-] ZINC001159055751 938698651 /nfs/dbraw/zinc/69/86/51/938698651.db2.gz SSWCWFGKXPZZTM-UHFFFAOYSA-N 1 0 268.317 1.562 20 5 CDBDRO C[NH+]1CC(CNc2nc(Cl)nc(Cl)c2[N+](=O)[O-])C1 ZINC001159218468 938712298 /nfs/dbraw/zinc/71/22/98/938712298.db2.gz PCGMDLMHCMFPQX-UHFFFAOYSA-N 1 0 292.126 1.665 20 5 CDBDRO O=[N+]([O-])c1cccc2nc(N[C@@H]3C[NH2+]C[C@@H]3CO)ccc21 ZINC001159678861 938744654 /nfs/dbraw/zinc/74/46/54/938744654.db2.gz RIBQLQFWJZKFFJ-BXKDBHETSA-N 1 0 288.307 1.135 20 5 CDBDRO COc1cc(C)nc(NCC[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC001159772434 938751639 /nfs/dbraw/zinc/75/16/39/938751639.db2.gz BPSWLJXZKUEWBG-SSDOTTSWSA-N 1 0 254.290 1.456 20 5 CDBDRO [NH3+]Cc1ccccc1CNc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001160905911 938840832 /nfs/dbraw/zinc/84/08/32/938840832.db2.gz KEDKJDYBVABECG-UHFFFAOYSA-N 1 0 274.280 1.299 20 5 CDBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1nccc(N)c1[N+](=O)[O-] ZINC001162457634 939060399 /nfs/dbraw/zinc/06/03/99/939060399.db2.gz QAPCXNBYZUVCDS-UWVGGRQHSA-N 1 0 279.344 1.620 20 5 CDBDRO O=[N+]([O-])c1ncccc1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001162579272 939091706 /nfs/dbraw/zinc/09/17/06/939091706.db2.gz AUGOOHKRZMUANH-GFCCVEGCSA-N 1 0 268.292 1.884 20 5 CDBDRO O=[N+]([O-])c1cccnc1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001162581072 939092932 /nfs/dbraw/zinc/09/29/32/939092932.db2.gz XSNTZVNFTDTLTI-GFCCVEGCSA-N 1 0 268.292 1.884 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1C=C[C@H]2C[NH2+]C[C@H]21 ZINC001162791059 939140368 /nfs/dbraw/zinc/14/03/68/939140368.db2.gz YMVVUWGSCPDJKB-FXBDTBDDSA-N 1 0 280.715 1.829 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2ccc(N[C@@H]3C=C[C@H]4C[NH2+]C[C@H]43)nc21 ZINC001162796021 939142864 /nfs/dbraw/zinc/14/28/64/939142864.db2.gz BTROISIIGLMRGQ-IVZWLZJFSA-N 1 0 285.307 1.657 20 5 CDBDRO COC(=O)[C@@H](Nc1cccc(OC)c1[N+](=O)[O-])C(C)(C)[NH3+] ZINC001162947415 939163962 /nfs/dbraw/zinc/16/39/62/939163962.db2.gz GRAQKCGISFLIIJ-LLVKDONJSA-N 1 0 297.311 1.294 20 5 CDBDRO O=[N+]([O-])c1ccnc(Cl)c1N[C@H]1COCCC12C[NH2+]C2 ZINC001163070344 939189701 /nfs/dbraw/zinc/18/97/01/939189701.db2.gz WKZBKUGBQJAONE-VIFPVBQESA-N 1 0 298.730 1.434 20 5 CDBDRO CC[N@@H+]1CCCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001163775319 939327826 /nfs/dbraw/zinc/32/78/26/939327826.db2.gz XRPSGPYQCDGTHP-UHFFFAOYSA-N 1 0 265.317 1.104 20 5 CDBDRO COc1cc(N[C@@H](C)C[NH+](C)C)cnc1[N+](=O)[O-] ZINC001163782221 939330283 /nfs/dbraw/zinc/33/02/83/939330283.db2.gz CVXKPKIPNUWQRI-QMMMGPOBSA-N 1 0 254.290 1.360 20 5 CDBDRO [NH3+]CCN(CCO)c1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC001163835731 939339706 /nfs/dbraw/zinc/33/97/06/939339706.db2.gz CTUIWXRBNBYRNI-HWKANZROSA-N 1 0 285.731 1.345 20 5 CDBDRO CN(C)c1ccc(N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001164286158 939446663 /nfs/dbraw/zinc/44/66/63/939446663.db2.gz HHCRCRVQQHVBGD-SECBINFHSA-N 1 0 250.302 1.198 20 5 CDBDRO COc1cnc(N2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001165090953 939508851 /nfs/dbraw/zinc/50/88/51/939508851.db2.gz IEYXLSKCVRELMN-UHFFFAOYSA-N 1 0 294.355 1.919 20 5 CDBDRO C[NH+](C)C1(C)CN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001165118012 939512537 /nfs/dbraw/zinc/51/25/37/939512537.db2.gz NUCSOWWMYLZQFP-UHFFFAOYSA-N 1 0 287.323 1.678 20 5 CDBDRO Cc1c(C)c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165146742 939518203 /nfs/dbraw/zinc/51/82/03/939518203.db2.gz BMYQKNSTVFCAMM-TXEJJXNPSA-N 1 0 276.340 1.604 20 5 CDBDRO Cc1c(F)cnc(-n2ccnc2CC[NH3+])c1[N+](=O)[O-] ZINC001166277426 939601801 /nfs/dbraw/zinc/60/18/01/939601801.db2.gz SOFNLFOEBIMJGS-UHFFFAOYSA-N 1 0 265.248 1.124 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCO[C@H]2CC[NH2+]C2)cc1 ZINC001217821904 941020961 /nfs/dbraw/zinc/02/09/61/941020961.db2.gz AHDOMEAYRIOEHK-LBPRGKRZSA-N 1 0 252.270 1.352 20 5 CDBDRO [NH3+]CCCO[C@@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001217912289 941028529 /nfs/dbraw/zinc/02/85/29/941028529.db2.gz IFSXAXFCBMLBCJ-LBPRGKRZSA-N 1 0 268.269 1.099 20 5 CDBDRO C[C@@H](OC(=O)C[C@@H](O)C[N+](C)(C)C)c1ccc(F)cc1 ZINC001224009351 941714683 /nfs/dbraw/zinc/71/46/83/941714683.db2.gz GUADLPLGBYTTPA-BXUZGUMPSA-N 1 0 284.351 1.887 20 5 CDBDRO C[N+](C)(C)CCCO[C@@H]1CCCC2(C1)OCCO2 ZINC001224621030 941777277 /nfs/dbraw/zinc/77/72/77/941777277.db2.gz INEBGWAGFTUGOS-CYBMUJFWSA-N 1 0 258.382 1.785 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OC[C@@H]1CCCC[N@@H+]1C ZINC001224702563 941784797 /nfs/dbraw/zinc/78/47/97/941784797.db2.gz NLOVCUCUCQFITQ-YPMHNXCESA-N 1 0 296.371 1.989 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CO[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC001224704513 941784880 /nfs/dbraw/zinc/78/48/80/941784880.db2.gz AIONOOQRDHDSHV-MNOVXSKESA-N 1 0 296.327 1.053 20 5 CDBDRO COc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1OC ZINC001225309350 941842562 /nfs/dbraw/zinc/84/25/62/941842562.db2.gz FCEMCCHDLWAPST-LLVKDONJSA-N 1 0 298.359 1.066 20 5 CDBDRO O=[N+]([O-])c1ccc(OC2CCN(CCF)CC2)nc1 ZINC001225633583 941892074 /nfs/dbraw/zinc/89/20/74/941892074.db2.gz QQVZPFAVZPPDEQ-UHFFFAOYSA-N 1 0 269.276 1.803 20 5 CDBDRO COc1cc(O[C@H](C)C[N+](C)(C)C)ncc1[N+](=O)[O-] ZINC001226580938 942030388 /nfs/dbraw/zinc/03/03/88/942030388.db2.gz HHYIXXBOFXGRFP-SECBINFHSA-N 1 0 270.309 1.472 20 5 CDBDRO COC(=O)c1ccc(OC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001227294390 942164349 /nfs/dbraw/zinc/16/43/49/942164349.db2.gz CMDCBTCGTBYYDH-UHFFFAOYSA-N 1 0 294.307 1.854 20 5 CDBDRO C[NH+](C)C1CCC(Oc2nc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001228139268 942273249 /nfs/dbraw/zinc/27/32/49/942273249.db2.gz ABLATDLAMWRPOG-UHFFFAOYSA-N 1 0 282.300 1.342 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2cc(=O)[nH]c(C)c2[N+](=O)[O-])C1 ZINC001228684953 942356573 /nfs/dbraw/zinc/35/65/73/942356573.db2.gz CDEYBKUWRIFIMZ-VIFPVBQESA-N 1 0 267.285 1.477 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOc2cc([N+](=O)[O-])c(C)cc2O)C1 ZINC001229752587 942526377 /nfs/dbraw/zinc/52/63/77/942526377.db2.gz CAANZJPYHPVTSS-LLVKDONJSA-N 1 0 296.323 1.708 20 5 CDBDRO COC(=O)Cc1ccc(O)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001229797931 942532211 /nfs/dbraw/zinc/53/22/11/942532211.db2.gz BMNKAULNWKTCFQ-LLVKDONJSA-O 1 0 282.360 1.581 20 5 CDBDRO CCOC(=O)c1cnc(O[C@@H](C)C[N+](C)(C)C)nc1 ZINC001229851347 942541935 /nfs/dbraw/zinc/54/19/35/942541935.db2.gz WPFZXHJXWAYALX-JTQLQIEISA-N 1 0 268.337 1.127 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)C1 ZINC001230230449 942592318 /nfs/dbraw/zinc/59/23/18/942592318.db2.gz RIBRPEQYZFKIOX-QMMMGPOBSA-N 1 0 277.284 1.339 20 5 CDBDRO COC(=O)[C@H]1Cc2ccc(O[C@H](C)C[N+](C)(C)C)cc2O1 ZINC001231001654 942754942 /nfs/dbraw/zinc/75/49/42/942754942.db2.gz NKXOEHRPEZZMQB-IAQYHMDHSA-N 1 0 294.371 1.637 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(N=O)cc1 ZINC001231290643 942845253 /nfs/dbraw/zinc/84/52/53/942845253.db2.gz ALSXRVUSPPIQDJ-LLVKDONJSA-N 1 0 267.305 1.447 20 5 CDBDRO C[C@@H](C[NH+](C)C)Oc1cc(Cl)cnc1[N+](=O)[O-] ZINC001233715928 943645775 /nfs/dbraw/zinc/64/57/75/943645775.db2.gz KIDQMMGPFZRFOT-ZETCQYMHSA-N 1 0 259.693 1.972 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001262584540 946737232 /nfs/dbraw/zinc/73/72/32/946737232.db2.gz FCRWAIJHBSURKV-GHMZBOCLSA-N 1 0 294.355 1.811 20 5 CDBDRO CC[C@@]([NH3+])(CO)N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254539000 947516024 /nfs/dbraw/zinc/51/60/24/947516024.db2.gz AILKIIQGUTYNCT-GWCFXTLKSA-N 1 0 267.329 1.173 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C)C(=O)C1 ZINC001254534899 947516434 /nfs/dbraw/zinc/51/64/34/947516434.db2.gz DFTMIZNYKOIKBB-AAEUAGOBSA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001254550402 947519848 /nfs/dbraw/zinc/51/98/48/947519848.db2.gz JALCWKFRAFAJDN-WCQYABFASA-N 1 0 291.351 1.723 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC001254550282 947521279 /nfs/dbraw/zinc/52/12/79/947521279.db2.gz HETOKGBURICMRX-GFCCVEGCSA-N 1 0 263.341 1.773 20 5 CDBDRO COC[C@@H](C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254566425 947526953 /nfs/dbraw/zinc/52/69/53/947526953.db2.gz JXWMULROEVMAND-SKDRFNHKSA-N 1 0 250.298 1.687 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccno1)C2 ZINC001254565629 947527010 /nfs/dbraw/zinc/52/70/10/947527010.db2.gz FANDDBQXQRRHOR-LLVKDONJSA-N 1 0 259.265 1.840 20 5 CDBDRO CCC[C@@H](CO)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254574604 947533487 /nfs/dbraw/zinc/53/34/87/947533487.db2.gz JDTIAOVXSMICLL-QWHCGFSZSA-N 1 0 264.325 1.813 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CC3(COC3)C1)C2 ZINC001254573522 947533723 /nfs/dbraw/zinc/53/37/23/947533723.db2.gz BHXRLENUJUNWCZ-GFCCVEGCSA-N 1 0 274.320 1.831 20 5 CDBDRO CC(C)CNC(=O)C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254576515 947536163 /nfs/dbraw/zinc/53/61/63/947536163.db2.gz WQHHNDRYRLHPIV-ZDUSSCGKSA-N 1 0 291.351 1.424 20 5 CDBDRO CN1CCC[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC001254581247 947538147 /nfs/dbraw/zinc/53/81/47/947538147.db2.gz MYPLECTWZGIVJC-OCCSQVGLSA-N 1 0 289.335 1.272 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H](CO)[C@@H]1CCOC1)C2 ZINC001254582420 947539854 /nfs/dbraw/zinc/53/98/54/947539854.db2.gz UENBFQMIZYQPBX-UXIGCNINSA-N 1 0 292.335 1.049 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCOC1)C2 ZINC001254585369 947540670 /nfs/dbraw/zinc/54/06/70/947540670.db2.gz WCFJAZZSSSTUJJ-GXFFZTMASA-N 1 0 262.309 1.688 20 5 CDBDRO CN1CC[C@H]([N@H+](C)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601245 947551184 /nfs/dbraw/zinc/55/11/84/947551184.db2.gz WNYYDXZJZLUHIL-LSDHHAIUSA-N 1 0 275.352 1.698 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246568982 948289145 /nfs/dbraw/zinc/28/91/45/948289145.db2.gz UGCILCPMIJGXDY-JTNHKYCSSA-N 1 0 263.341 1.805 20 5 CDBDRO CC(C)[C@@H]1C[NH2+]CCN1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246695961 948406979 /nfs/dbraw/zinc/40/69/79/948406979.db2.gz OICXXTJPPWYYQN-CVEARBPZSA-N 1 0 289.379 1.992 20 5 CDBDRO COc1ccc(C[C@H](C)N2C[C@@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])c1 ZINC001246918312 948518917 /nfs/dbraw/zinc/51/89/17/948518917.db2.gz KMGUHNXPTZHJMY-ITDIGPHOSA-N 1 0 291.351 1.438 20 5 CDBDRO CC[C@](C)([NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001249281878 949508019 /nfs/dbraw/zinc/50/80/19/949508019.db2.gz DDSUNEKFTGYJSM-NSHDSACASA-N 1 0 281.247 1.763 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001325681521 954024970 /nfs/dbraw/zinc/02/49/70/954024970.db2.gz SGDRVJZXYDCHGM-JTQLQIEISA-N 1 0 292.339 1.476 20 5 CDBDRO CC1(C)CC[NH2+][C@@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329936511 956190131 /nfs/dbraw/zinc/19/01/31/956190131.db2.gz GUQZUZZNMWQFJY-CYBMUJFWSA-N 1 0 289.335 1.825 20 5 CDBDRO Cc1noc(C[NH2+][C@@H](C(C)C)C(C)(C)O)c1[N+](=O)[O-] ZINC001307753048 956437283 /nfs/dbraw/zinc/43/72/83/956437283.db2.gz SJTFMIALIIFSDS-NSHDSACASA-N 1 0 271.317 1.776 20 5 CDBDRO COc1cc(CNCc2cc(C)n[nH]2)c([N+](=O)[O-])cc1O ZINC001308281825 956508517 /nfs/dbraw/zinc/50/85/17/956508517.db2.gz CQSUWFWPFKQOQY-UHFFFAOYSA-N 1 0 292.295 1.630 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)NCC[N@@H+](C)C(C)C ZINC001310519345 956693445 /nfs/dbraw/zinc/69/34/45/956693445.db2.gz OBDVATTUTOTXLQ-UHFFFAOYSA-N 1 0 295.343 1.182 20 5 CDBDRO CC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC001317999515 957848878 /nfs/dbraw/zinc/84/88/78/957848878.db2.gz CSKAHUAXYASYFP-UHFFFAOYSA-N 1 0 280.328 1.479 20 5 CDBDRO C[C@@H]([NH2+]C[C@H]1CN(C)C(=O)O1)c1ccc([N+](=O)[O-])cc1 ZINC001333740708 958558615 /nfs/dbraw/zinc/55/86/15/958558615.db2.gz LMQKCTHEDGAJCF-SKDRFNHKSA-N 1 0 279.296 1.696 20 5 CDBDRO CSCC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001335344048 959726439 /nfs/dbraw/zinc/72/64/39/959726439.db2.gz ANFDMVJOKCRVMA-SNVBAGLBSA-N 1 0 286.353 1.287 20 5 CDBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC2(C[NH2+]C2)CC1 ZINC001341319316 963364160 /nfs/dbraw/zinc/36/41/60/963364160.db2.gz SOPGHMVWPSSRCO-UHFFFAOYSA-N 1 0 293.298 1.560 20 5 CDBDRO CN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC001341778371 963538894 /nfs/dbraw/zinc/53/88/94/963538894.db2.gz QYFULSIWQRXJSF-AKUTZHFWSA-N 1 0 289.335 1.646 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001344624917 964385101 /nfs/dbraw/zinc/38/51/01/964385101.db2.gz XPZLVJUOZFLSEH-ZJUUUORDSA-N 1 0 293.323 1.189 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC001344790105 964428331 /nfs/dbraw/zinc/42/83/31/964428331.db2.gz USDWJMHYOVGLSE-VZJVUDMVSA-N 1 0 289.335 1.772 20 5 CDBDRO Cc1cc(NC(=O)N2CC([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC001344876036 964475993 /nfs/dbraw/zinc/47/59/93/964475993.db2.gz QIQCIGIDUOXIGW-UHFFFAOYSA-N 1 0 278.312 1.681 20 5 CDBDRO CO[C@@H](C)[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001346324039 965044892 /nfs/dbraw/zinc/04/48/92/965044892.db2.gz ASPUFBSMKMXHJX-QWRGUYRKSA-N 1 0 295.339 1.936 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001348555125 966056796 /nfs/dbraw/zinc/05/67/96/966056796.db2.gz JWOJITWBVNLATJ-LLVKDONJSA-N 1 0 294.355 1.435 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001353632864 968116089 /nfs/dbraw/zinc/11/60/89/968116089.db2.gz GWPWPHLTAOCXHA-XXILOJSOSA-N 1 0 263.297 1.162 20 5 CDBDRO C[C@H](NC(=O)[C@H]([NH3+])C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001354829494 968922387 /nfs/dbraw/zinc/92/23/87/968922387.db2.gz KFTDVWGEBJCZMZ-TVQRCGJNSA-N 1 0 277.324 1.899 20 5 CDBDRO CC[NH+](CC)CCOC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000848791741 969295629 /nfs/dbraw/zinc/29/56/29/969295629.db2.gz QXRFVVSFLDSDSG-UHFFFAOYSA-N 1 0 296.327 1.530 20 5 CDBDRO CCc1ccc(C(=O)N2CC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC001358249891 969713263 /nfs/dbraw/zinc/71/32/63/969713263.db2.gz KWBOXDQUNODJDQ-LLVKDONJSA-N 1 0 291.351 1.968 20 5 CDBDRO CCn1cncc1COC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001518049644 970007965 /nfs/dbraw/zinc/00/79/65/970007965.db2.gz WKWTUVBSHKEKOK-UHFFFAOYSA-N 1 0 269.301 1.782 20 5 CDBDRO C[C@H](NC(=O)C[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001522743892 970544658 /nfs/dbraw/zinc/54/46/58/970544658.db2.gz IQLCGRHGWLZCEG-VIFPVBQESA-N 1 0 263.297 1.524 20 5 CDBDRO CCOc1cc(NC(=O)N[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001578170590 1171825911 /nfs/dbraw/zinc/82/59/11/1171825911.db2.gz OSPRCHNGMODOQM-SNVBAGLBSA-N 1 0 294.311 1.477 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCCN1c1ccc([N+](=O)[O-])cn1 ZINC000601188278 342488022 /nfs/dbraw/zinc/48/80/22/342488022.db2.gz FVWYKQXJKWGAIV-NSHDSACASA-N 1 0 264.329 1.910 20 5 CDBDRO [NH3+][C@H]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000322690126 342566412 /nfs/dbraw/zinc/56/64/12/342566412.db2.gz SBEVXBLJBNJZOP-XYPYZODXSA-N 1 0 281.287 1.734 20 5 CDBDRO C[C@H](Cn1cncn1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000608782110 342040016 /nfs/dbraw/zinc/04/00/16/342040016.db2.gz NXJVHWOQDSONBN-SNVBAGLBSA-N 1 0 261.285 1.365 20 5 CDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000590696095 342583631 /nfs/dbraw/zinc/58/36/31/342583631.db2.gz YXYUNAJEUWPJDV-VHSXEESVSA-N 1 0 250.302 1.519 20 5 CDBDRO CCNC(=O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000608835579 342058686 /nfs/dbraw/zinc/05/86/86/342058686.db2.gz ZZTVLFUEYMDESZ-ALCCZGGFSA-N 1 0 263.297 1.334 20 5 CDBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000340550372 361820631 /nfs/dbraw/zinc/82/06/31/361820631.db2.gz JJZWQAVJXSYTEE-UHFFFAOYSA-N 1 0 296.371 1.593 20 5 CDBDRO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000533447258 282120531 /nfs/dbraw/zinc/12/05/31/282120531.db2.gz XJVXNEPANRFYOP-UHFFFAOYSA-N 1 0 293.323 1.644 20 5 CDBDRO CC(C)[NH2+]CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000608895640 342084319 /nfs/dbraw/zinc/08/43/19/342084319.db2.gz NKMHJFSSZUMFHP-UHFFFAOYSA-N 1 0 280.328 1.121 20 5 CDBDRO O=[N+]([O-])c1cc(CN[C@@H]2CCC[NH2+]CC2)cs1 ZINC000591278537 342624218 /nfs/dbraw/zinc/62/42/18/342624218.db2.gz LPLNFUPGSSHLJH-SNVBAGLBSA-N 1 0 255.343 1.888 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591438663 342632017 /nfs/dbraw/zinc/63/20/17/342632017.db2.gz PGKPOWHKUQBKOS-JQWIXIFHSA-N 1 0 262.313 1.486 20 5 CDBDRO O=[N+]([O-])c1cc(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)cs1 ZINC000591448502 342632973 /nfs/dbraw/zinc/63/29/73/342632973.db2.gz JINWPUIBDNWOPO-WDEREUQCSA-N 1 0 267.354 1.840 20 5 CDBDRO C[NH+](C)C(C)(C)CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000311020161 342143247 /nfs/dbraw/zinc/14/32/47/342143247.db2.gz YYBPSYOQQWMLLM-UHFFFAOYSA-N 1 0 253.306 1.324 20 5 CDBDRO CC1(C)C[NH2+]CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000591677729 342641521 /nfs/dbraw/zinc/64/15/21/342641521.db2.gz BKQLXKYIPJHXKK-UHFFFAOYSA-N 1 0 293.323 1.184 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H]2F)c1 ZINC000591767852 342645949 /nfs/dbraw/zinc/64/59/49/342645949.db2.gz UHYQDXATVVOHME-KWCYVHTRSA-N 1 0 298.314 1.815 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000592243976 342681080 /nfs/dbraw/zinc/68/10/80/342681080.db2.gz PPSUEZZKCXCNIV-YPMHNXCESA-N 1 0 289.335 1.727 20 5 CDBDRO CNc1ccc(C(=O)NC2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000592292686 342683945 /nfs/dbraw/zinc/68/39/45/342683945.db2.gz WGYBFGIZRKCAIE-UHFFFAOYSA-N 1 0 292.339 1.636 20 5 CDBDRO [NH3+]C[C@@H](Cn1cnc([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000592158969 342670816 /nfs/dbraw/zinc/67/08/16/342670816.db2.gz ZWUZVQLAGFTYGW-VIFPVBQESA-N 1 0 265.248 1.068 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000592487638 342696003 /nfs/dbraw/zinc/69/60/03/342696003.db2.gz WOCKLYYRNDGVDF-PJXYFTJBSA-N 1 0 275.308 1.019 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000592487564 342696035 /nfs/dbraw/zinc/69/60/35/342696035.db2.gz UXXCFJNSIULTAH-UTUOFQBUSA-N 1 0 275.308 1.304 20 5 CDBDRO CN(CCC[NH3+])Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000592473519 342698527 /nfs/dbraw/zinc/69/85/27/342698527.db2.gz ADQOWOLNEGVGQQ-UHFFFAOYSA-N 1 0 264.285 1.517 20 5 CDBDRO C[C@H](CCO)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593108804 342769328 /nfs/dbraw/zinc/76/93/28/342769328.db2.gz CMQOSDPQERMYDK-YPMHNXCESA-N 1 0 298.339 1.037 20 5 CDBDRO Cc1cnn(C)c1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000289904903 361893049 /nfs/dbraw/zinc/89/30/49/361893049.db2.gz UPYNGYXLRXGRNA-UHFFFAOYSA-N 1 0 289.339 1.602 20 5 CDBDRO C[NH+](C)CCn1cc(-c2cc([N+](=O)[O-])ccc2CO)cn1 ZINC000600781568 342249122 /nfs/dbraw/zinc/24/91/22/342249122.db2.gz FBURMXQLKXWGGE-UHFFFAOYSA-N 1 0 290.323 1.512 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000600892364 342254882 /nfs/dbraw/zinc/25/48/82/342254882.db2.gz NJQGVAJXYOYHMS-UHFFFAOYSA-N 1 0 281.287 1.512 20 5 CDBDRO CC(C)(C)[C@@H]([NH3+])c1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594650196 342932131 /nfs/dbraw/zinc/93/21/31/342932131.db2.gz VDBYNEOWIGOZTN-NSHDSACASA-N 1 0 276.300 1.616 20 5 CDBDRO [NH3+][C@H](c1cn(-c2ccc([N+](=O)[O-])cc2)nn1)[C@@H]1CCCO1 ZINC000594639757 342938925 /nfs/dbraw/zinc/93/89/25/342938925.db2.gz AKSRSEYULSUPMK-QWHCGFSZSA-N 1 0 289.295 1.354 20 5 CDBDRO CC[C@H](C)CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000594718196 342947583 /nfs/dbraw/zinc/94/75/83/342947583.db2.gz KRTWBSJWXLABNN-JQWIXIFHSA-N 1 0 270.333 1.178 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC(=O)N(C)C ZINC000595040934 342998258 /nfs/dbraw/zinc/99/82/58/342998258.db2.gz PPERFCKRASXAPS-SNVBAGLBSA-N 1 0 295.339 1.732 20 5 CDBDRO COc1cccc(C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000595229084 343009358 /nfs/dbraw/zinc/00/93/58/343009358.db2.gz QIURBVGQQXNYCV-KOLCDFICSA-N 1 0 293.323 1.413 20 5 CDBDRO CCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])CC(C)(C)O ZINC000595301486 343028511 /nfs/dbraw/zinc/02/85/11/343028511.db2.gz FOXZASWTDKJPFC-UHFFFAOYSA-N 1 0 271.317 1.874 20 5 CDBDRO [NH3+][C@@H]1C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000404523799 349774602 /nfs/dbraw/zinc/77/46/02/349774602.db2.gz RLIDKCGKUNDIFE-VXGBXAGGSA-N 1 0 290.323 1.986 20 5 CDBDRO Cc1nc(N2CC[C@@]3(C2)CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC000565648414 365695414 /nfs/dbraw/zinc/69/54/14/365695414.db2.gz OZKAWTADPONAIR-ZDUSSCGKSA-N 1 0 277.328 1.273 20 5 CDBDRO C[C@H](C[S@@](C)=O)N(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595428340 343057302 /nfs/dbraw/zinc/05/73/02/343057302.db2.gz XWGDYBYCVIREPO-AYLIAGHASA-N 1 0 288.344 1.933 20 5 CDBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000595462222 343070804 /nfs/dbraw/zinc/07/08/04/343070804.db2.gz SCYFDLHTLDHQIQ-UHFFFAOYSA-N 1 0 298.314 1.707 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1onc(C)c1[N+](=O)[O-] ZINC000595505892 343080181 /nfs/dbraw/zinc/08/01/81/343080181.db2.gz WPNDLOAWAFAYMG-SNVBAGLBSA-N 1 0 268.317 1.417 20 5 CDBDRO Cc1noc(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000595522168 343088437 /nfs/dbraw/zinc/08/84/37/343088437.db2.gz IYDHUWAZMXMONI-NSHDSACASA-N 1 0 282.344 1.806 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000078437127 342337219 /nfs/dbraw/zinc/33/72/19/342337219.db2.gz IHWYUNDLKJTLDE-ZDUSSCGKSA-N 1 0 291.351 1.753 20 5 CDBDRO Cc1nn(C)c(N(C)CC[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000078455967 342337256 /nfs/dbraw/zinc/33/72/56/342337256.db2.gz ZRXWHTYTKOBNRZ-GFCCVEGCSA-N 1 0 295.387 1.947 20 5 CDBDRO Cc1cnc(NC[C@@H](C)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000078658235 342339082 /nfs/dbraw/zinc/33/90/82/342339082.db2.gz QUGSRQYXEQMYBP-GFCCVEGCSA-N 1 0 293.371 1.346 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000595929573 343184120 /nfs/dbraw/zinc/18/41/20/343184120.db2.gz KPUDATQPFAYQCE-LLVKDONJSA-N 1 0 295.295 1.318 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595810272 343160734 /nfs/dbraw/zinc/16/07/34/343160734.db2.gz LLBBJZMKKSPZSL-RWMBFGLXSA-N 1 0 292.335 1.676 20 5 CDBDRO CC1(C)CC[NH2+][C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000595924949 343193143 /nfs/dbraw/zinc/19/31/43/343193143.db2.gz KHIXINDEPQSIRG-GFCCVEGCSA-N 1 0 277.324 1.599 20 5 CDBDRO O=c1[nH]ccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000596076860 343226737 /nfs/dbraw/zinc/22/67/37/343226737.db2.gz QTEVZTYUYQSUBV-MWLCHTKSSA-N 1 0 278.312 1.734 20 5 CDBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596119866 343232926 /nfs/dbraw/zinc/23/29/26/343232926.db2.gz RBDUPBSJSXXTNY-UHFFFAOYSA-N 1 0 292.339 1.226 20 5 CDBDRO C[NH+](C)CC1(CNc2ccc(N)c([N+](=O)[O-])n2)CCCC1 ZINC000596191813 343253191 /nfs/dbraw/zinc/25/31/91/343253191.db2.gz GXTHNKWUCPHZID-UHFFFAOYSA-N 1 0 293.371 1.528 20 5 CDBDRO NC(=O)c1cc(NCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000596061594 343223337 /nfs/dbraw/zinc/22/33/37/343223337.db2.gz HAQGPDHXCUVLRC-UHFFFAOYSA-N 1 0 292.339 1.592 20 5 CDBDRO CS[C@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000596176434 343260682 /nfs/dbraw/zinc/26/06/82/343260682.db2.gz AEEUGKVEFKXBMT-UWVGGRQHSA-N 1 0 298.368 1.177 20 5 CDBDRO C[C@H](CC[S@@](C)=O)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000128277414 342448975 /nfs/dbraw/zinc/44/89/75/342448975.db2.gz SMXWRKYGGXPUSP-WYRIXSBYSA-N 1 0 284.381 1.884 20 5 CDBDRO CCCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436978574 362243746 /nfs/dbraw/zinc/24/37/46/362243746.db2.gz ILHJJUOGBVPELM-UHFFFAOYSA-N 1 0 295.339 1.762 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC(C[NH+](C)C)C1 ZINC000597707902 343605628 /nfs/dbraw/zinc/60/56/28/343605628.db2.gz ITOZHSFKRADXSH-UHFFFAOYSA-N 1 0 277.324 1.537 20 5 CDBDRO Cn1c(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597925764 343663364 /nfs/dbraw/zinc/66/33/64/343663364.db2.gz QYXFRMJEYRLDSJ-SNVBAGLBSA-N 1 0 294.355 1.536 20 5 CDBDRO C[C@H](CCNC(=O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000598001206 343686317 /nfs/dbraw/zinc/68/63/17/343686317.db2.gz XKYRHZXDCRRUCZ-SNVBAGLBSA-N 1 0 265.313 1.665 20 5 CDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000598915771 343920136 /nfs/dbraw/zinc/92/01/36/343920136.db2.gz ONYMQTZAZMOYQA-YGRLFVJLSA-N 1 0 290.323 1.940 20 5 CDBDRO C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC[NH2+]C1 ZINC000128938345 362359692 /nfs/dbraw/zinc/35/96/92/362359692.db2.gz MGCRJCHWTNLMIL-GFCCVEGCSA-N 1 0 266.301 1.042 20 5 CDBDRO CCN(CC[NH3+])C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000599921481 344153336 /nfs/dbraw/zinc/15/33/36/344153336.db2.gz SKOHFXRZQRSXPL-NSHDSACASA-N 1 0 294.355 1.954 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601560921 344191961 /nfs/dbraw/zinc/19/19/61/344191961.db2.gz OKXHGPVGLXAOMR-QWRGUYRKSA-N 1 0 290.323 1.790 20 5 CDBDRO CC[NH2+][C@H](C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000602442275 344418485 /nfs/dbraw/zinc/41/84/85/344418485.db2.gz KEBSHBPPWJOOBA-VHSXEESVSA-N 1 0 265.313 1.770 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000602596507 344502775 /nfs/dbraw/zinc/50/27/75/344502775.db2.gz PIMXDIWPHKTTQL-UWVGGRQHSA-N 1 0 263.297 1.465 20 5 CDBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602489416 344450275 /nfs/dbraw/zinc/45/02/75/344450275.db2.gz JVKLMFYQUOCKKT-SNVBAGLBSA-N 1 0 295.314 1.935 20 5 CDBDRO C[C@H](CN1CCCC1=O)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602519147 344452060 /nfs/dbraw/zinc/45/20/60/344452060.db2.gz WLOIAGMVWYJYNG-GFCCVEGCSA-N 1 0 291.351 1.738 20 5 CDBDRO C[C@@H](CO)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602520747 344452655 /nfs/dbraw/zinc/45/26/55/344452655.db2.gz IVNJQHLQUMDDSU-LLVKDONJSA-N 1 0 294.355 1.177 20 5 CDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000602530954 344456296 /nfs/dbraw/zinc/45/62/96/344456296.db2.gz UASDNOHZOLKVFB-AWEZNQCLSA-N 1 0 291.351 1.594 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602533302 344469927 /nfs/dbraw/zinc/46/99/27/344469927.db2.gz WHBASINKZQTZJU-LLVKDONJSA-N 1 0 290.323 1.920 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602588562 344478926 /nfs/dbraw/zinc/47/89/26/344478926.db2.gz BOHMXPWEAHTSHU-DTORHVGOSA-N 1 0 267.310 1.233 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602593256 344481367 /nfs/dbraw/zinc/48/13/67/344481367.db2.gz WLUKRKWDCHBAAY-AOOOYVTPSA-N 1 0 291.307 1.180 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000602798625 344589215 /nfs/dbraw/zinc/58/92/15/344589215.db2.gz QXSWDFSSAZWXAP-JQWIXIFHSA-N 1 0 282.344 1.193 20 5 CDBDRO CC[N@@H+]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602839917 344621090 /nfs/dbraw/zinc/62/10/90/344621090.db2.gz LSJKGOQJNNKVMP-GFCCVEGCSA-N 1 0 295.387 1.516 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000603406172 344804080 /nfs/dbraw/zinc/80/40/80/344804080.db2.gz HVEJDPHXJLLIRT-GHMZBOCLSA-N 1 0 250.302 1.884 20 5 CDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CC[NH+](C)CC1 ZINC000604551738 344902658 /nfs/dbraw/zinc/90/26/58/344902658.db2.gz BLFHYNJTRJWXKQ-SECBINFHSA-N 1 0 280.328 1.383 20 5 CDBDRO Cn1ncc(CCC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC000292946796 362520765 /nfs/dbraw/zinc/52/07/65/362520765.db2.gz KFMVERWKFLOZNO-UHFFFAOYSA-N 1 0 275.312 1.446 20 5 CDBDRO CC(C)(CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000328470715 345042390 /nfs/dbraw/zinc/04/23/90/345042390.db2.gz ZNYNBKJYEHCJDY-ZDUSSCGKSA-N 1 0 296.371 1.568 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2(CO)CC2)n1 ZINC000618571543 345055377 /nfs/dbraw/zinc/05/53/77/345055377.db2.gz BVOPZQXGAIKDQZ-RYUDHWBXSA-N 1 0 294.355 1.637 20 5 CDBDRO Cn1cc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000051234838 345096287 /nfs/dbraw/zinc/09/62/87/345096287.db2.gz YTWCVHOYRDNDKQ-UHFFFAOYSA-N 1 0 290.323 1.839 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089107265 346123925 /nfs/dbraw/zinc/12/39/25/346123925.db2.gz PNPHVYUEYOCCHO-MWLCHTKSSA-N 1 0 280.328 1.181 20 5 CDBDRO CNC(=O)c1ccc(N2C[C@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000212662772 346237935 /nfs/dbraw/zinc/23/79/35/346237935.db2.gz RUVCFMWFZSRQLR-ZJUUUORDSA-N 1 0 292.339 1.128 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC3(O)CCC3)C2)nc1 ZINC000610710253 346365106 /nfs/dbraw/zinc/36/51/06/346365106.db2.gz DSKQDFHXQURMLJ-NSHDSACASA-N 1 0 292.339 1.391 20 5 CDBDRO CC[N@@H+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611084628 346604087 /nfs/dbraw/zinc/60/40/87/346604087.db2.gz HXWGTZLVPXHLFO-JTQLQIEISA-N 1 0 292.339 1.224 20 5 CDBDRO COc1cc(C[N@H+](C)C(C)(C)CO)c([N+](=O)[O-])cc1F ZINC000613379365 347707908 /nfs/dbraw/zinc/70/79/08/347707908.db2.gz HYQTWYJFCNOUEX-UHFFFAOYSA-N 1 0 286.303 1.945 20 5 CDBDRO CON(CC[NH3+])C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001579104830 1172097082 /nfs/dbraw/zinc/09/70/82/1172097082.db2.gz FJWYYRHFIAOJHD-UHFFFAOYSA-N 1 0 281.312 1.681 20 5 CDBDRO O=[N+]([O-])c1ncccc1NCC[N@@H+]1CCCOCC1 ZINC000614982633 348292087 /nfs/dbraw/zinc/29/20/87/348292087.db2.gz PLPLWZZBTNVRGS-UHFFFAOYSA-N 1 0 266.301 1.124 20 5 CDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000129350419 362896694 /nfs/dbraw/zinc/89/66/94/362896694.db2.gz AUYJCRCQTFMZPI-VXGBXAGGSA-N 1 0 250.298 1.844 20 5 CDBDRO CN(CCCC[NH+](C)C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000615540535 348580249 /nfs/dbraw/zinc/58/02/49/348580249.db2.gz SQXWXSWBGUNJMH-UHFFFAOYSA-N 1 0 295.343 1.217 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH2+]CC2)c1 ZINC000088147675 179556833 /nfs/dbraw/zinc/55/68/33/179556833.db2.gz BFIMVSOAMUXJJV-UHFFFAOYSA-N 1 0 263.297 1.385 20 5 CDBDRO CC(C)[C@H](CCO)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000273997193 192396566 /nfs/dbraw/zinc/39/65/66/192396566.db2.gz KHNPYPPMMKDKQK-AWEZNQCLSA-N 1 0 282.340 1.970 20 5 CDBDRO [NH3+][C@@H]1CC[C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000091546261 180187116 /nfs/dbraw/zinc/18/71/16/180187116.db2.gz FNBYUPRNJGERGN-WDEREUQCSA-N 1 0 263.297 1.338 20 5 CDBDRO COc1ccc(C[NH2+][C@H](C(N)=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000109331516 186248671 /nfs/dbraw/zinc/24/86/71/186248671.db2.gz CWVORDMRIIETJQ-GFCCVEGCSA-N 1 0 295.339 1.593 20 5 CDBDRO Cc1cnc(N2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000078624670 350834315 /nfs/dbraw/zinc/83/43/15/350834315.db2.gz ZMFGISUYCZEHEA-UHFFFAOYSA-N 1 0 250.302 1.440 20 5 CDBDRO CC(C)(C)CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000313479210 350842447 /nfs/dbraw/zinc/84/24/47/350842447.db2.gz IFDDYCMCNAOCGD-GFCCVEGCSA-N 1 0 284.360 1.568 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000111267242 186383250 /nfs/dbraw/zinc/38/32/50/186383250.db2.gz CDNWVNSMKGDIPI-BXKDBHETSA-N 1 0 263.297 1.067 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000113454386 186578848 /nfs/dbraw/zinc/57/88/48/186578848.db2.gz RGHXVMYWTJTNHQ-SECBINFHSA-N 1 0 283.353 1.680 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000124807465 351373232 /nfs/dbraw/zinc/37/32/32/351373232.db2.gz VHGCYCDOZDVSCY-KOLCDFICSA-N 1 0 263.297 1.547 20 5 CDBDRO CC(C)([NH3+])CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000122277209 187023951 /nfs/dbraw/zinc/02/39/51/187023951.db2.gz WDHHTYSVGSYJGB-UHFFFAOYSA-N 1 0 255.249 1.201 20 5 CDBDRO COc1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000136479807 363111237 /nfs/dbraw/zinc/11/12/37/363111237.db2.gz DCUMNCSDAXIRCX-VIFPVBQESA-N 1 0 265.269 1.294 20 5 CDBDRO COc1ccc(NC(=O)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000136484079 363121786 /nfs/dbraw/zinc/12/17/86/363121786.db2.gz UNASHQLDPTYBIR-MRVPVSSYSA-N 1 0 265.269 1.151 20 5 CDBDRO Cc1cc(C(=O)N[C@H](C)CCCC[NH3+])c(N)c([N+](=O)[O-])c1 ZINC000292072939 198152943 /nfs/dbraw/zinc/15/29/43/198152943.db2.gz LIYPPDZDHPHQBI-SNVBAGLBSA-N 1 0 294.355 1.733 20 5 CDBDRO C[C@H](CCCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000292085472 198158744 /nfs/dbraw/zinc/15/87/44/198158744.db2.gz MPJBDHUXUAAFMT-MRVPVSSYSA-N 1 0 255.274 1.435 20 5 CDBDRO C[N@H+](CCOCC1CC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154438980 188142621 /nfs/dbraw/zinc/14/26/21/188142621.db2.gz AVZYFPATGIXBPJ-OAHLLOKOSA-N 1 0 294.351 1.987 20 5 CDBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1CCC[N@H+](C)C1 ZINC000157350311 188311506 /nfs/dbraw/zinc/31/15/06/188311506.db2.gz WZTVUKGKBMRXDO-SNVBAGLBSA-N 1 0 292.339 1.343 20 5 CDBDRO Cc1cc(C(=O)N2CCC[C@H]([NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000158243700 188365006 /nfs/dbraw/zinc/36/50/06/188365006.db2.gz NBGWPLRCICODME-VIFPVBQESA-N 1 0 278.312 1.049 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158281007 188367252 /nfs/dbraw/zinc/36/72/52/188367252.db2.gz BDWGDEMNLLMCDW-HNNXBMFYSA-N 1 0 289.335 1.349 20 5 CDBDRO Cc1ccc(C(=O)NCC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000063170252 363278256 /nfs/dbraw/zinc/27/82/56/363278256.db2.gz IDLWLNPPOQLJAR-SECBINFHSA-N 1 0 251.286 1.370 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000365252167 363296738 /nfs/dbraw/zinc/29/67/38/363296738.db2.gz AHXHAPSTGYPHNG-DGCLKSJQSA-N 1 0 289.335 1.727 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH3+])[C@H]1C ZINC000457358985 366153291 /nfs/dbraw/zinc/15/32/91/366153291.db2.gz PJUIKUMMMRSIAA-BXKDBHETSA-N 1 0 293.323 1.555 20 5 CDBDRO Cc1c(C[NH2+][C@H](CO)[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000411998523 363402801 /nfs/dbraw/zinc/40/28/01/363402801.db2.gz WGPWZOQRPKFKPK-UONOGXRCSA-N 1 0 294.351 1.780 20 5 CDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000272201752 191575968 /nfs/dbraw/zinc/57/59/68/191575968.db2.gz GOAUOHDCVATSDI-DTWKUNHWSA-N 1 0 295.343 1.080 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000163291553 356170930 /nfs/dbraw/zinc/17/09/30/356170930.db2.gz QZDXRPNOSBECKZ-GXSJLCMTSA-N 1 0 263.297 1.404 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000126901341 356144053 /nfs/dbraw/zinc/14/40/53/356144053.db2.gz XPNMYLSOHVCLIZ-LBPRGKRZSA-N 1 0 298.364 1.570 20 5 CDBDRO CC[C@H](CNc1ncc([N+](=O)[O-])cn1)[NH+]1CCCC1 ZINC000273564633 192207394 /nfs/dbraw/zinc/20/73/94/192207394.db2.gz CFKFWXVPSAKREA-SNVBAGLBSA-N 1 0 265.317 1.671 20 5 CDBDRO O=[N+]([O-])c1cnc(NCCC[NH+]2CCCCC2)nc1 ZINC000273568409 192208995 /nfs/dbraw/zinc/20/89/95/192208995.db2.gz CVWZKGWLANRIBA-UHFFFAOYSA-N 1 0 265.317 1.673 20 5 CDBDRO Cc1nccn1CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000336848637 356386079 /nfs/dbraw/zinc/38/60/79/356386079.db2.gz LTUWYOSTTLJCSF-UHFFFAOYSA-N 1 0 292.270 1.669 20 5 CDBDRO CC(C)[C@H]([NH3+])C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000236747632 140243127 /nfs/dbraw/zinc/24/31/27/140243127.db2.gz AIFIMILRWAQNBO-LBPRGKRZSA-N 1 0 280.328 1.106 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000341383295 357243734 /nfs/dbraw/zinc/24/37/34/357243734.db2.gz RQVBBAUFCUWZQP-GFCCVEGCSA-N 1 0 297.742 1.959 20 5 CDBDRO CCC[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181642309 357371106 /nfs/dbraw/zinc/37/11/06/357371106.db2.gz UUQPBPGAHDOOPK-NSHDSACASA-N 1 0 268.313 1.676 20 5 CDBDRO CC(=O)NCC[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000566186178 357427451 /nfs/dbraw/zinc/42/74/51/357427451.db2.gz JAJNXBSLEHLKOJ-UHFFFAOYSA-N 1 0 281.312 1.042 20 5 CDBDRO Cc1cc(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000135245477 357810259 /nfs/dbraw/zinc/81/02/59/357810259.db2.gz MUOHIGLNZCCYIL-GWCFXTLKSA-N 1 0 293.323 1.091 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1c1ccc(F)cc1[N+](=O)[O-] ZINC000216215132 358024816 /nfs/dbraw/zinc/02/48/16/358024816.db2.gz KOANOMRGPLDYOY-RKDXNWHRSA-N 1 0 253.277 1.907 20 5 CDBDRO Cc1cc(C(=O)N(C)CC[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000081865262 358140820 /nfs/dbraw/zinc/14/08/20/358140820.db2.gz XMIZSFVQBXROQB-UHFFFAOYSA-N 1 0 280.328 1.119 20 5 CDBDRO [NH3+]C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000165888528 358216210 /nfs/dbraw/zinc/21/62/10/358216210.db2.gz LILPFNFBQQOYRQ-GFCCVEGCSA-N 1 0 288.307 1.307 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000165894515 358238442 /nfs/dbraw/zinc/23/84/42/358238442.db2.gz TVFGTINCZBFQGC-ZCFIWIBFSA-N 1 0 257.677 1.325 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(OCC[C@@H]2CC[NH2+]C2)c1 ZINC000564925528 358254608 /nfs/dbraw/zinc/25/46/08/358254608.db2.gz AGOFFEGGNVGDDY-JTQLQIEISA-N 1 0 294.307 1.760 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@]1(O)CCOC1)CCC2 ZINC000193050323 358260654 /nfs/dbraw/zinc/26/06/54/358260654.db2.gz QODHPLZDAQBZNC-HUUCEWRRSA-N 1 0 292.335 1.713 20 5 CDBDRO C[NH2+]CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000193134706 358268449 /nfs/dbraw/zinc/26/84/49/358268449.db2.gz XQMJOCWKMBFYNB-UHFFFAOYSA-N 1 0 263.297 1.305 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000193621325 358309399 /nfs/dbraw/zinc/30/93/99/358309399.db2.gz YUBFJMZYPBGZMS-BXUZGUMPSA-N 1 0 291.351 1.784 20 5 CDBDRO C[C@H]1C[NH2+]CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132579187 358571071 /nfs/dbraw/zinc/57/10/71/358571071.db2.gz VELLOQMVQUEJLD-QMMMGPOBSA-N 1 0 267.260 1.168 20 5 CDBDRO C[C@H]1CSCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176251376 358751160 /nfs/dbraw/zinc/75/11/60/358751160.db2.gz WJWLSMPSXFVERA-VIFPVBQESA-N 1 0 256.331 1.229 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000264920208 358767565 /nfs/dbraw/zinc/76/75/65/358767565.db2.gz PPJMNOVHTURTAQ-SNVBAGLBSA-N 1 0 265.313 1.665 20 5 CDBDRO C[NH2+]CCCC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000567802868 358737342 /nfs/dbraw/zinc/73/73/42/358737342.db2.gz AFTYDOKCRPEWFF-UHFFFAOYSA-N 1 0 281.312 1.089 20 5 CDBDRO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000159447651 359301765 /nfs/dbraw/zinc/30/17/65/359301765.db2.gz WOHAONYOXBLNIH-GWCFXTLKSA-N 1 0 250.298 1.798 20 5 CDBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000339631221 359419955 /nfs/dbraw/zinc/41/99/55/359419955.db2.gz RONHFJNYCBTNMQ-LLVKDONJSA-N 1 0 268.313 1.676 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](O)COCC1CC1 ZINC000050015747 359561339 /nfs/dbraw/zinc/56/13/39/359561339.db2.gz VQYHACNWVGGGHN-CYBMUJFWSA-N 1 0 280.324 1.472 20 5 CDBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCNC1=O ZINC000340225151 359612188 /nfs/dbraw/zinc/61/21/88/359612188.db2.gz GPKJKKYAXJMTSR-ZDUSSCGKSA-N 1 0 293.323 1.184 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000044540926 283458791 /nfs/dbraw/zinc/45/87/91/283458791.db2.gz BTLHILNPIDAMPN-LBPRGKRZSA-N 1 0 263.297 1.548 20 5 CDBDRO COCC[C@@](C)(O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000172069593 237306635 /nfs/dbraw/zinc/30/66/35/237306635.db2.gz CZBBWCOQFUEUFH-CYBMUJFWSA-N 1 0 268.313 1.472 20 5 CDBDRO CC[C@]1(C)CN(CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000135613482 359760081 /nfs/dbraw/zinc/76/00/81/359760081.db2.gz KJRFLYNEIIOZQZ-CQSZACIVSA-N 1 0 295.339 1.257 20 5 CDBDRO Cc1ccc(C[NH2+]CCNC(=O)C2CC2)cc1[N+](=O)[O-] ZINC000061014437 359771345 /nfs/dbraw/zinc/77/13/45/359771345.db2.gz ROJBROZBNWUBHF-UHFFFAOYSA-N 1 0 277.324 1.519 20 5 CDBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000347896360 359916627 /nfs/dbraw/zinc/91/66/27/359916627.db2.gz HHCOHVHMXROQFT-UHFFFAOYSA-N 1 0 297.359 1.132 20 5 CDBDRO Cc1n[nH]c(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000267335632 359922002 /nfs/dbraw/zinc/92/20/02/359922002.db2.gz YQFXCHUWACDGNI-ZJUUUORDSA-N 1 0 295.343 1.229 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]CCN2CCSCC2)cs1 ZINC000226246377 359951819 /nfs/dbraw/zinc/95/18/19/359951819.db2.gz KNZPBVAHNBJKAS-UHFFFAOYSA-N 1 0 287.410 1.795 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000131669265 283508787 /nfs/dbraw/zinc/50/87/87/283508787.db2.gz CKEHKUCBTIIPQI-LLVKDONJSA-N 1 0 264.285 1.550 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[NH2+]C1CC1 ZINC000054265779 360066634 /nfs/dbraw/zinc/06/66/34/360066634.db2.gz OLJDHDUTSNTPTR-UHFFFAOYSA-N 1 0 263.297 1.385 20 5 CDBDRO COCCN(CC(=O)N(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000051920596 360525774 /nfs/dbraw/zinc/52/57/74/360525774.db2.gz JBDXLCRARQNHJI-UHFFFAOYSA-N 1 0 295.339 1.131 20 5 CDBDRO C[NH2+]C[C@H]1CCN(c2nc(C)ccc2[N+](=O)[O-])C1 ZINC000162859801 360574317 /nfs/dbraw/zinc/57/43/17/360574317.db2.gz MSPRUWHZKRBLCG-SNVBAGLBSA-N 1 0 250.302 1.344 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CC[C@H](O)C2)cc1 ZINC000227700442 360599360 /nfs/dbraw/zinc/59/93/60/360599360.db2.gz RUONPKQBIRBNBK-JSGCOSHPSA-N 1 0 264.325 1.888 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000178560196 189127023 /nfs/dbraw/zinc/12/70/23/189127023.db2.gz WFPFXCZORIFAIE-NSHDSACASA-N 1 0 293.323 1.171 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000178970903 189158263 /nfs/dbraw/zinc/15/82/63/189158263.db2.gz GSTVGTBMGVRFRA-SNVBAGLBSA-N 1 0 293.323 1.285 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC2(CC2)CC1 ZINC000367129070 360945232 /nfs/dbraw/zinc/94/52/32/360945232.db2.gz LLMYZDVYNQDROO-UHFFFAOYSA-N 1 0 277.324 1.633 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000236927925 361401436 /nfs/dbraw/zinc/40/14/36/361401436.db2.gz ZTSYBUBXHDSYBG-SNVBAGLBSA-N 1 0 295.339 1.851 20 5 CDBDRO CCc1ccc(C(=O)NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000236963044 361412772 /nfs/dbraw/zinc/41/27/72/361412772.db2.gz YMNMHLIMOXOBPM-UHFFFAOYSA-N 1 0 265.313 1.624 20 5 CDBDRO Cc1cc(NC[C@@H](C)C[NH+](C)C)ncc1[N+](=O)[O-] ZINC000291798116 239237317 /nfs/dbraw/zinc/23/73/17/239237317.db2.gz JHVAZJRWIMUNNM-SECBINFHSA-N 1 0 252.318 1.908 20 5 CDBDRO C[NH+](C)CCn1nccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000294016061 239286136 /nfs/dbraw/zinc/28/61/36/239286136.db2.gz IZXGXZMRILFAHV-UHFFFAOYSA-N 1 0 293.283 1.198 20 5 CDBDRO C[C@@H]1CC(=O)NCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000367669434 364042819 /nfs/dbraw/zinc/04/28/19/364042819.db2.gz KTTBFRZATVXLAX-FVOPLDGLSA-N 1 0 289.335 1.818 20 5 CDBDRO Cc1cccc(C(=O)N2CC[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC000088059313 364047783 /nfs/dbraw/zinc/04/77/83/364047783.db2.gz DRVHKQLZRIHDRJ-SNVBAGLBSA-N 1 0 263.297 1.337 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000582321885 364083818 /nfs/dbraw/zinc/08/38/18/364083818.db2.gz IUHWKYATHFWDOO-NXEZZACHSA-N 1 0 281.360 1.648 20 5 CDBDRO C[C@@H]([NH2+]CCc1cnn(C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293743041 364497249 /nfs/dbraw/zinc/49/72/49/364497249.db2.gz NQXGIXHVECGESY-SNVBAGLBSA-N 1 0 289.339 1.804 20 5 CDBDRO CC[NH+](CC)C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174879689 364587624 /nfs/dbraw/zinc/58/76/24/364587624.db2.gz XHYFPVLIVYVHCW-ZDUSSCGKSA-N 1 0 295.387 1.455 20 5 CDBDRO C[NH2+][C@@H]1CCCN(c2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000092027592 364965791 /nfs/dbraw/zinc/96/57/91/364965791.db2.gz MBITYPJVSODZPI-SNVBAGLBSA-N 1 0 250.302 1.486 20 5 CDBDRO Cc1c(C[NH2+][C@H]2CCCNC(=O)C2)cccc1[N+](=O)[O-] ZINC000231884881 364997606 /nfs/dbraw/zinc/99/76/06/364997606.db2.gz PQRNEGIMCYNTGC-LBPRGKRZSA-N 1 0 277.324 1.662 20 5 CDBDRO CS[C@@H]1CN(c2ncc(C)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270932026 366946636 /nfs/dbraw/zinc/94/66/36/366946636.db2.gz CSUVPCGSCKXIMC-NWDGAFQWSA-N 1 0 296.396 1.780 20 5 CDBDRO O=C1CCCN1[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000270953183 366947728 /nfs/dbraw/zinc/94/77/28/366947728.db2.gz TWUVTLDHTKPHFW-CYBMUJFWSA-N 1 0 289.335 1.792 20 5 CDBDRO CC(C)C[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[NH+](C)C ZINC000122304016 366973181 /nfs/dbraw/zinc/97/31/81/366973181.db2.gz RYEVCCQCWHQLBV-SNVBAGLBSA-N 1 0 297.359 1.034 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)C[NH3+] ZINC000414652009 241302328 /nfs/dbraw/zinc/30/23/28/241302328.db2.gz CUDPQJLMBHXKPB-MRVPVSSYSA-N 1 0 266.301 1.620 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094340427 367140806 /nfs/dbraw/zinc/14/08/06/367140806.db2.gz IYCPWIYDFCYMLS-KOLCDFICSA-N 1 0 263.297 1.404 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000415494695 241702804 /nfs/dbraw/zinc/70/28/04/241702804.db2.gz FBXTTZQVKBYVDQ-SECBINFHSA-N 1 0 294.311 1.558 20 5 CDBDRO [NH3+]C[C@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415627559 241731884 /nfs/dbraw/zinc/73/18/84/241731884.db2.gz BOOKWCGTSGJQSR-MRVPVSSYSA-N 1 0 282.275 1.546 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417136318 242333578 /nfs/dbraw/zinc/33/35/78/242333578.db2.gz KKYAAXCMZKVDTB-ZJUUUORDSA-N 1 0 280.328 1.644 20 5 CDBDRO Cc1sc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000272275454 367671350 /nfs/dbraw/zinc/67/13/50/367671350.db2.gz OAVSTIRTGWBPEZ-APPZFPTMSA-N 1 0 283.353 1.774 20 5 CDBDRO C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000330382915 367678316 /nfs/dbraw/zinc/67/83/16/367678316.db2.gz JGOPGUFOTYLGOU-QWHCGFSZSA-N 1 0 293.367 1.966 20 5 CDBDRO CCCN1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000272570305 367774830 /nfs/dbraw/zinc/77/48/30/367774830.db2.gz RTQXJNAWRAZYOP-UHFFFAOYSA-N 1 0 293.323 1.468 20 5 CDBDRO COC[C@@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])OC ZINC000272638281 367785887 /nfs/dbraw/zinc/78/58/87/367785887.db2.gz CBFJHXSNKLHEAL-VUDGCMKMSA-N 1 0 280.324 1.859 20 5 CDBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000456201600 252418594 /nfs/dbraw/zinc/41/85/94/252418594.db2.gz MFXSTYJOYFOVBP-UHFFFAOYSA-N 1 0 282.344 1.773 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418376514 243001250 /nfs/dbraw/zinc/00/12/50/243001250.db2.gz URDMDDOLQFEEGJ-LBPRGKRZSA-N 1 0 292.339 1.488 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000089091365 368828240 /nfs/dbraw/zinc/82/82/40/368828240.db2.gz XFOIRGXGPVPNAO-CMPLNLGQSA-N 1 0 263.297 1.452 20 5 CDBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330660680 203091230 /nfs/dbraw/zinc/09/12/30/203091230.db2.gz QYONVYIAOVNYRB-NQBHXWOUSA-N 1 0 282.344 1.415 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000420277687 244013410 /nfs/dbraw/zinc/01/34/10/244013410.db2.gz IRQPADAXGXTLTJ-QWRGUYRKSA-N 1 0 264.329 1.650 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000420278345 244016121 /nfs/dbraw/zinc/01/61/21/244016121.db2.gz IYKKJUSMFXOEDA-DTWKUNHWSA-N 1 0 253.306 1.258 20 5 CDBDRO C[NH2+]CCCN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000420393238 244194265 /nfs/dbraw/zinc/19/42/65/244194265.db2.gz XDRMUKOPQZJAAK-UHFFFAOYSA-N 1 0 267.329 1.515 20 5 CDBDRO C[NH2+]CCCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000037611252 369336333 /nfs/dbraw/zinc/33/63/33/369336333.db2.gz QHBDQQBOYWNWTN-UHFFFAOYSA-N 1 0 251.286 1.841 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000330889054 203355170 /nfs/dbraw/zinc/35/51/70/203355170.db2.gz BBHKBXVYUTUDFE-WCQYABFASA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000037766496 370079334 /nfs/dbraw/zinc/07/93/34/370079334.db2.gz UONZUQCMNNUBHP-PWSUYJOCSA-N 1 0 277.324 1.772 20 5 CDBDRO Cc1c(CC(=O)NC[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000422793938 245265579 /nfs/dbraw/zinc/26/55/79/245265579.db2.gz XTSYKGZBKBEFJR-GFCCVEGCSA-N 1 0 277.324 1.314 20 5 CDBDRO Cc1c(CC(=O)N2CCC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000422878675 245364814 /nfs/dbraw/zinc/36/48/14/245364814.db2.gz JNXFRANURAHZIV-LBPRGKRZSA-N 1 0 277.324 1.395 20 5 CDBDRO CC[N@H+](CCNc1c([N+](=O)[O-])c(C)nn1C)C(C)C ZINC000301275876 373282511 /nfs/dbraw/zinc/28/25/11/373282511.db2.gz KXORZKPAZFRESW-UHFFFAOYSA-N 1 0 269.349 1.779 20 5 CDBDRO Cc1c(CN2CC[C@@H]3C[NH2+]C[C@@H]32)cccc1[N+](=O)[O-] ZINC000385385074 373459884 /nfs/dbraw/zinc/45/98/84/373459884.db2.gz PUEIFJIIEZSHLZ-RISCZKNCSA-N 1 0 261.325 1.697 20 5 CDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000330541851 373698278 /nfs/dbraw/zinc/69/82/78/373698278.db2.gz AEJUOXBKUYHJIY-LLVKDONJSA-N 1 0 294.355 1.395 20 5 CDBDRO CN(CC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000330554960 373708720 /nfs/dbraw/zinc/70/87/20/373708720.db2.gz ZBDIWGCTTXXIEG-UHFFFAOYSA-N 1 0 280.328 1.101 20 5 CDBDRO O=C(C[C@@H]1CSCC[NH2+]1)Nc1cccc([N+](=O)[O-])c1 ZINC000091134261 373747622 /nfs/dbraw/zinc/74/76/22/373747622.db2.gz UBFLYAQTMAIGQN-SNVBAGLBSA-N 1 0 281.337 1.628 20 5 CDBDRO C[NH+](C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298579822 373754863 /nfs/dbraw/zinc/75/48/63/373754863.db2.gz CXBOICLIPQGJBY-UHFFFAOYSA-N 1 0 277.280 1.632 20 5 CDBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000277474033 374183886 /nfs/dbraw/zinc/18/38/86/374183886.db2.gz IDVIAKCIEJTLQK-JTQLQIEISA-N 1 0 293.327 1.065 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000417762973 374252407 /nfs/dbraw/zinc/25/24/07/374252407.db2.gz JRMZXIRJPUYVNV-LBPRGKRZSA-N 1 0 292.339 1.141 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000311434812 374255302 /nfs/dbraw/zinc/25/53/02/374255302.db2.gz DUJNEDLODODVPI-WWQCOOJYSA-N 1 0 263.297 1.462 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000113454384 374257876 /nfs/dbraw/zinc/25/78/76/374257876.db2.gz RGHXVMYWTJTNHQ-VIFPVBQESA-N 1 0 283.353 1.680 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](O)C1 ZINC000113503419 374260704 /nfs/dbraw/zinc/26/07/04/374260704.db2.gz ITPSGGSXDCVQBM-JTQLQIEISA-N 1 0 252.270 1.040 20 5 CDBDRO CCC[C@@H]1C[NH2+]CCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC000420242240 374294145 /nfs/dbraw/zinc/29/41/45/374294145.db2.gz WLRZCJIXQMIJJN-SNVBAGLBSA-N 1 0 265.317 1.272 20 5 CDBDRO CNC(=O)c1ccc(N[C@@H](C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000065945364 374296189 /nfs/dbraw/zinc/29/61/89/374296189.db2.gz NRVGIJGXGZMFBN-JTQLQIEISA-N 1 0 294.355 1.707 20 5 CDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CCC[NH2+]CC1 ZINC000368722400 374326297 /nfs/dbraw/zinc/32/62/97/374326297.db2.gz PENLJWWZSSZDMW-NSHDSACASA-N 1 0 292.339 1.265 20 5 CDBDRO C[C@H]1[N@H+](CCn2ccc([N+](=O)[O-])n2)CCC12CCOCC2 ZINC000368834064 374331753 /nfs/dbraw/zinc/33/17/53/374331753.db2.gz MDJRNTFPPDYGRK-GFCCVEGCSA-N 1 0 294.355 1.682 20 5 CDBDRO C[C@@H]1CC(=O)NCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000369429791 374352988 /nfs/dbraw/zinc/35/29/88/374352988.db2.gz WZSCQBSKVYXFGN-LLVKDONJSA-N 1 0 277.324 1.348 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423844079 246136733 /nfs/dbraw/zinc/13/67/33/246136733.db2.gz LLFZMGNVDQYTMB-YUMQZZPRSA-N 1 0 285.731 1.848 20 5 CDBDRO O=C(NCc1ncc[nH]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000080606726 374474714 /nfs/dbraw/zinc/47/47/14/374474714.db2.gz QPWWRBCCDVDOQF-UHFFFAOYSA-N 1 0 261.241 1.640 20 5 CDBDRO Cc1cccc(C(=O)NC[C@@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000070447012 374662821 /nfs/dbraw/zinc/66/28/21/374662821.db2.gz UCTFKWCLPQNYNM-LLVKDONJSA-N 1 0 265.313 1.616 20 5 CDBDRO C[C@H](O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000275036308 374687827 /nfs/dbraw/zinc/68/78/27/374687827.db2.gz DXEXKKOAYDSEDF-NSHDSACASA-N 1 0 297.330 1.232 20 5 CDBDRO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000037880266 374770628 /nfs/dbraw/zinc/77/06/28/374770628.db2.gz LXQYKEYXOVMVFO-WXHSDQCUSA-N 1 0 282.344 1.321 20 5 CDBDRO COCC[NH2+]CC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000095081690 374865519 /nfs/dbraw/zinc/86/55/19/374865519.db2.gz ANAGQFRXKKOBHT-UHFFFAOYSA-N 1 0 267.285 1.078 20 5 CDBDRO CS[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000331333376 374931013 /nfs/dbraw/zinc/93/10/13/374931013.db2.gz PKTWMXZQLYFNAW-JTQLQIEISA-N 1 0 256.331 1.229 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000280319286 374990921 /nfs/dbraw/zinc/99/09/21/374990921.db2.gz PDJMZVHEDZHHQR-KGLIPLIRSA-N 1 0 294.351 1.638 20 5 CDBDRO C[NH+](C)C[C@H](O)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332658211 375041305 /nfs/dbraw/zinc/04/13/05/375041305.db2.gz ANYMILRONJOGMK-HIFRSBDPSA-N 1 0 293.367 1.484 20 5 CDBDRO CS[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000282222476 375073284 /nfs/dbraw/zinc/07/32/84/375073284.db2.gz ODVJLHJWWWGNGX-QWHCGFSZSA-N 1 0 296.396 1.659 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000131655030 375306594 /nfs/dbraw/zinc/30/65/94/375306594.db2.gz NHQXYUCBJCTJLI-QWRGUYRKSA-N 1 0 279.340 1.773 20 5 CDBDRO CC(C)[NH+](CCNc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000029165859 375388814 /nfs/dbraw/zinc/38/88/14/375388814.db2.gz ZGNTZTIPOHLRRF-UHFFFAOYSA-N 1 0 269.349 1.859 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H](CO)C1 ZINC000304298393 375426948 /nfs/dbraw/zinc/42/69/48/375426948.db2.gz NZOOTXREBVIXDC-SECBINFHSA-N 1 0 254.261 1.548 20 5 CDBDRO C[NH2+]CCN(C)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493371069 375447306 /nfs/dbraw/zinc/44/73/06/375447306.db2.gz PPMANMXJSJFDHK-XQRVVYSFSA-N 1 0 281.287 1.425 20 5 CDBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000132698272 375570986 /nfs/dbraw/zinc/57/09/86/375570986.db2.gz ZDKACUMPBZXFPO-SNVBAGLBSA-N 1 0 267.260 1.168 20 5 CDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[NH2+]C1 ZINC000217461633 375647051 /nfs/dbraw/zinc/64/70/51/375647051.db2.gz XGBRDYSBQVOWSP-UJZCVKTISA-N 1 0 289.335 1.724 20 5 CDBDRO CCCC[N@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000344932048 375665094 /nfs/dbraw/zinc/66/50/94/375665094.db2.gz ADJSZRNLPWUFFF-UHFFFAOYSA-N 1 0 294.355 1.639 20 5 CDBDRO C[NH+](C)C[C@](C)(O)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000133072065 375679262 /nfs/dbraw/zinc/67/92/62/375679262.db2.gz BWWBOGTUHXFJRX-GFCCVEGCSA-N 1 0 271.292 1.458 20 5 CDBDRO Cc1nn(C)c(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000356787890 375861050 /nfs/dbraw/zinc/86/10/50/375861050.db2.gz XAINESOXYHMPJT-VIFPVBQESA-N 1 0 297.359 1.095 20 5 CDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCOC1 ZINC000356874554 375867125 /nfs/dbraw/zinc/86/71/25/375867125.db2.gz QPDKYPAWORJOQK-QWRGUYRKSA-N 1 0 268.317 1.196 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H](C[NH3+])C1 ZINC000357961033 375942865 /nfs/dbraw/zinc/94/28/65/375942865.db2.gz FIBPFLIHGXUIRI-ZDUSSCGKSA-N 1 0 295.339 1.153 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000358040094 375948236 /nfs/dbraw/zinc/94/82/36/375948236.db2.gz BNECENHJVSOYRZ-WHOFXGATSA-N 1 0 294.351 1.951 20 5 CDBDRO C[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1C ZINC000347590062 376562717 /nfs/dbraw/zinc/56/27/17/376562717.db2.gz LXZQBJYONMXODR-NXEZZACHSA-N 1 0 252.318 1.806 20 5 CDBDRO COC[C@]1(C)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000296671028 376702639 /nfs/dbraw/zinc/70/26/39/376702639.db2.gz KTEBWUSSBCAHAO-GFCCVEGCSA-N 1 0 268.317 1.150 20 5 CDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCC[NH+]1CCCC1 ZINC000172126218 377284786 /nfs/dbraw/zinc/28/47/86/377284786.db2.gz XSBCHBCLOJJNHW-UHFFFAOYSA-N 1 0 292.339 1.219 20 5 CDBDRO [NH3+]CC[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C(F)F ZINC000383478442 377478012 /nfs/dbraw/zinc/47/80/12/377478012.db2.gz TVHCSBHQGHMMTQ-QMMMGPOBSA-N 1 0 273.239 1.307 20 5 CDBDRO COC[C@@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173471491 378455789 /nfs/dbraw/zinc/45/57/89/378455789.db2.gz FMGHKPPUDMGZHS-MNOVXSKESA-N 1 0 280.328 1.511 20 5 CDBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000173665702 378843150 /nfs/dbraw/zinc/84/31/50/378843150.db2.gz YOZVUXOEZUKSHK-NSHDSACASA-N 1 0 296.323 1.439 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C)CC1 ZINC000278992913 194243862 /nfs/dbraw/zinc/24/38/62/194243862.db2.gz FIIOVGBHYQTRPQ-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000279248223 194351103 /nfs/dbraw/zinc/35/11/03/194351103.db2.gz RKXNILHLWDTOAV-UHFFFAOYSA-N 1 0 296.302 1.140 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107571453 285096920 /nfs/dbraw/zinc/09/69/20/285096920.db2.gz FDXLQSPFDTWERI-DTORHVGOSA-N 1 0 251.261 1.390 20 5 CDBDRO [NH3+]C[C@H](NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000493845610 253571695 /nfs/dbraw/zinc/57/16/95/253571695.db2.gz NKOUZLCQIYSLJD-RNZFLTOJSA-N 1 0 293.298 1.601 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@H]2CC[NH2+]C2)n1 ZINC000423204994 285168916 /nfs/dbraw/zinc/16/89/16/285168916.db2.gz BGAWBDCGGXPTHZ-QJPTWQEYSA-N 1 0 279.344 1.227 20 5 CDBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC[NH2+]CC1 ZINC000236140034 285170903 /nfs/dbraw/zinc/17/09/03/285170903.db2.gz QHFKSQKIAVFUTF-UHFFFAOYSA-N 1 0 290.245 1.808 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@H]2CCCNC2)n1 ZINC000423303857 285169765 /nfs/dbraw/zinc/16/97/65/285169765.db2.gz MRLYJRRUBZJRKM-XQQFMLRXSA-N 1 0 293.371 1.617 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000281632150 195314944 /nfs/dbraw/zinc/31/49/44/195314944.db2.gz IJMISLUKHYVSLH-WDEREUQCSA-N 1 0 268.317 1.291 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H](C)CC[NH3+] ZINC000420229302 390577990 /nfs/dbraw/zinc/57/79/90/390577990.db2.gz ULPSRXTWICUFJS-VIFPVBQESA-N 1 0 281.312 1.839 20 5 CDBDRO CCN1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000391513693 390612704 /nfs/dbraw/zinc/61/27/04/390612704.db2.gz PFSRUAUBFCUFIR-LLVKDONJSA-N 1 0 263.297 1.305 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000516651760 390966177 /nfs/dbraw/zinc/96/61/77/390966177.db2.gz IIFMRMGATFOKGO-JGVFFNPUSA-N 1 0 295.295 1.179 20 5 CDBDRO C[NH2+]C[C@@H](C)CNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000517243711 390968870 /nfs/dbraw/zinc/96/88/70/390968870.db2.gz FGILNTBOWXQTQJ-SNVBAGLBSA-N 1 0 282.344 1.466 20 5 CDBDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449276876 391054659 /nfs/dbraw/zinc/05/46/59/391054659.db2.gz DDIUQEBWRLBFMK-NWDGAFQWSA-N 1 0 293.367 1.982 20 5 CDBDRO O=[N+]([O-])c1ccn(CCN2CCOC[C@H]2C2CCC2)n1 ZINC000574398009 391127641 /nfs/dbraw/zinc/12/76/41/391127641.db2.gz YBSYXWREBVUUCK-LBPRGKRZSA-N 1 0 280.328 1.292 20 5 CDBDRO Cc1c(CC(=O)N2CCN(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000438976947 391362163 /nfs/dbraw/zinc/36/21/63/391362163.db2.gz USKZPCWGJAIOIK-LLVKDONJSA-N 1 0 291.351 1.608 20 5 CDBDRO CCC(CC)(C[NH3+])NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415385190 391396793 /nfs/dbraw/zinc/39/67/93/391396793.db2.gz NVQHWZNFENPNDU-UHFFFAOYSA-N 1 0 281.316 1.051 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000415432597 391431719 /nfs/dbraw/zinc/43/17/19/391431719.db2.gz GAEISZITORCNDJ-MRVPVSSYSA-N 1 0 282.300 1.462 20 5 CDBDRO C[NH2+]CCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000415501571 391467648 /nfs/dbraw/zinc/46/76/48/391467648.db2.gz MTOICUXZUUYMQF-UHFFFAOYSA-N 1 0 282.300 1.287 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](C)C[NH3+] ZINC000415587841 391467669 /nfs/dbraw/zinc/46/76/69/391467669.db2.gz XDJPOAKAMHYQCX-MRVPVSSYSA-N 1 0 280.328 1.928 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC1([NH3+])CCC1 ZINC000415504814 391468416 /nfs/dbraw/zinc/46/84/16/391468416.db2.gz PNRLSSCYBGAVDX-UHFFFAOYSA-N 1 0 278.312 1.906 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000415505979 391468612 /nfs/dbraw/zinc/46/86/12/391468612.db2.gz RBWSDNCECIPNFF-SNVBAGLBSA-N 1 0 278.312 1.858 20 5 CDBDRO C[C@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000415634263 391470238 /nfs/dbraw/zinc/47/02/38/391470238.db2.gz SDWFNBOVWWCFQW-UFBFGSQYSA-N 1 0 296.302 1.935 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH2+]C ZINC000415755336 391471478 /nfs/dbraw/zinc/47/14/78/391471478.db2.gz CNPIGSQUUVSEAO-UHFFFAOYSA-N 1 0 266.301 1.498 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000094340095 391518874 /nfs/dbraw/zinc/51/88/74/391518874.db2.gz MPCLBTBXZBFLMI-SKDRFNHKSA-N 1 0 263.297 1.404 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]([NH3+])C(C)C)c1 ZINC000269274715 391646947 /nfs/dbraw/zinc/64/69/47/391646947.db2.gz OARUXUYMPUPVQE-LLVKDONJSA-N 1 0 281.312 1.317 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCc1cn[nH]c1)CC2 ZINC000459337382 391651753 /nfs/dbraw/zinc/65/17/53/391651753.db2.gz DDVJSFSVJGPDGR-UHFFFAOYSA-N 1 0 272.308 1.919 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000191354940 130225140 /nfs/dbraw/zinc/22/51/40/130225140.db2.gz KFRIOLZMXMEEPP-LLVKDONJSA-N 1 0 292.339 1.347 20 5 CDBDRO CN(C(=O)CNCC1([NH3+])CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000342133144 130292708 /nfs/dbraw/zinc/29/27/08/130292708.db2.gz JRWSARNMYZQZGU-UHFFFAOYSA-N 1 0 292.339 1.029 20 5 CDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000252421084 131134325 /nfs/dbraw/zinc/13/43/25/131134325.db2.gz YTZIOLFPCIQHIY-JZYVYDRUSA-N 1 0 281.699 1.196 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261689120 131162235 /nfs/dbraw/zinc/16/22/35/131162235.db2.gz HLXQDCJESWFDQO-NEPJUHHUSA-N 1 0 275.308 1.276 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261728095 131165298 /nfs/dbraw/zinc/16/52/98/131165298.db2.gz QXMPFJZAHKLQOZ-TZMCWYRMSA-N 1 0 289.335 1.348 20 5 CDBDRO C[C@@H]1[NH2+]CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000262786761 131261830 /nfs/dbraw/zinc/26/18/30/131261830.db2.gz MMJOEVBFHPMKSC-QWRGUYRKSA-N 1 0 277.324 1.346 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000262816221 131264422 /nfs/dbraw/zinc/26/44/22/131264422.db2.gz RXKUDBGHQMBLKS-ZJUUUORDSA-N 1 0 263.297 1.417 20 5 CDBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000263957031 131369080 /nfs/dbraw/zinc/36/90/80/131369080.db2.gz MMEHOIUJDRFNHO-ZJUUUORDSA-N 1 0 294.359 1.499 20 5 CDBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548929392 392515859 /nfs/dbraw/zinc/51/58/59/392515859.db2.gz UVRMUGUGZJDQTD-JTQLQIEISA-N 1 0 295.343 1.312 20 5 CDBDRO CC(C)OCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488719554 392721549 /nfs/dbraw/zinc/72/15/49/392721549.db2.gz WZTJEKSIPMAQTQ-UHFFFAOYSA-N 1 0 282.344 1.853 20 5 CDBDRO COCC[N@H+](C)CCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194555555 392790469 /nfs/dbraw/zinc/79/04/69/392790469.db2.gz JCOHEBRDDIUOKJ-UHFFFAOYSA-N 1 0 295.339 1.211 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000421699672 392942353 /nfs/dbraw/zinc/94/23/53/392942353.db2.gz BTYAEYMGOPOSDV-AWEZNQCLSA-N 1 0 291.351 1.690 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)C2(C)C[NH2+]C2)cc1[N+](=O)[O-] ZINC000423285849 392960706 /nfs/dbraw/zinc/96/07/06/392960706.db2.gz YVZORJNTAGBKCT-SNVBAGLBSA-N 1 0 277.324 1.690 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000423624830 392966122 /nfs/dbraw/zinc/96/61/22/392966122.db2.gz DQZLCUXFECHFSE-VIFPVBQESA-N 1 0 265.313 1.170 20 5 CDBDRO C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1C[NH3+] ZINC000424028703 392968436 /nfs/dbraw/zinc/96/84/36/392968436.db2.gz YXTSCGXBGSDXEH-UWVGGRQHSA-N 1 0 292.339 1.234 20 5 CDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[NH3+])cc1OC ZINC000194929893 393018012 /nfs/dbraw/zinc/01/80/12/393018012.db2.gz ICFSGRLPMGROHV-MRVPVSSYSA-N 1 0 297.311 1.079 20 5 CDBDRO COc1ccc(CNC(=O)[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000429914998 393088854 /nfs/dbraw/zinc/08/88/54/393088854.db2.gz WPWWCTHZNVAGJD-AWEZNQCLSA-N 1 0 293.323 1.219 20 5 CDBDRO CC[N@H+](CCC(=O)OC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430225712 393095545 /nfs/dbraw/zinc/09/55/45/393095545.db2.gz MPOXTNDPTYSPKB-UHFFFAOYSA-N 1 0 296.323 1.988 20 5 CDBDRO C[C@](C[NH3+])(NCc1csc([N+](=O)[O-])c1)C1CC1 ZINC000430563485 393100616 /nfs/dbraw/zinc/10/06/16/393100616.db2.gz WEQWUIYNEOSSRB-LLVKDONJSA-N 1 0 255.343 1.873 20 5 CDBDRO Cc1c(NC(=O)CCN(C)[C@@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000430942759 393107531 /nfs/dbraw/zinc/10/75/31/393107531.db2.gz DYDZXDWWOICBKS-JTQLQIEISA-N 1 0 294.355 1.511 20 5 CDBDRO CC(C)[C@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000446732359 393113201 /nfs/dbraw/zinc/11/32/01/393113201.db2.gz QUALMUQMKIFHKM-JTQLQIEISA-N 1 0 252.318 1.806 20 5 CDBDRO CCOc1ccc(C(=O)NC[C@H]([NH3+])CC)cc1[N+](=O)[O-] ZINC000449605089 393135822 /nfs/dbraw/zinc/13/58/22/393135822.db2.gz YUJWJRJTLFKJLJ-SNVBAGLBSA-N 1 0 281.312 1.461 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000493871125 393223204 /nfs/dbraw/zinc/22/32/04/393223204.db2.gz HBYMQOVKWRLQLB-VHSXEESVSA-N 1 0 280.328 1.106 20 5 CDBDRO CC1(NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000189329989 140112537 /nfs/dbraw/zinc/11/25/37/140112537.db2.gz LYYUMXJFRWIXJK-UHFFFAOYSA-N 1 0 281.287 1.606 20 5 CDBDRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000228346730 140193844 /nfs/dbraw/zinc/19/38/44/140193844.db2.gz PJNNDKVNPWILDV-MLCYQJTMSA-N 1 0 270.354 1.842 20 5 CDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1([NH3+])CCC1 ZINC000230054003 140206494 /nfs/dbraw/zinc/20/64/94/140206494.db2.gz DJDHWPVVRNYHAI-UHFFFAOYSA-N 1 0 299.352 1.063 20 5 CDBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000230064199 140206929 /nfs/dbraw/zinc/20/69/29/140206929.db2.gz RYQNOWRNRALMEI-UHFFFAOYSA-N 1 0 267.260 1.345 20 5 CDBDRO [NH3+]C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CCCC1 ZINC000236266834 140239621 /nfs/dbraw/zinc/23/96/21/140239621.db2.gz OEAAHQZEXMGZJE-JTQLQIEISA-N 1 0 266.301 1.170 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000252883934 140329450 /nfs/dbraw/zinc/32/94/50/140329450.db2.gz VTZZUTQYCKSSBA-BPNCWPANSA-N 1 0 292.335 1.806 20 5 CDBDRO COc1ccc(CN2CC[C@@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000261589738 140358043 /nfs/dbraw/zinc/35/80/43/140358043.db2.gz KWYYWBJUWDWHIW-GXSJLCMTSA-N 1 0 265.313 1.525 20 5 CDBDRO C[C@]1(C[NH3+])CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000261609063 140363394 /nfs/dbraw/zinc/36/33/94/140363394.db2.gz RZPQLVJZJSHBRK-CYBMUJFWSA-N 1 0 263.297 1.406 20 5 CDBDRO [NH3+]C1(c2noc(COc3ccccc3[N+](=O)[O-])n2)CCC1 ZINC000261653122 140369925 /nfs/dbraw/zinc/36/99/25/140369925.db2.gz FCPOCXUCLPJTTI-UHFFFAOYSA-N 1 0 290.279 1.895 20 5 CDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C[C@@H]12 ZINC000261655208 140371323 /nfs/dbraw/zinc/37/13/23/140371323.db2.gz JZSUFSIUQCNVLW-ZEGGKSINSA-N 1 0 293.298 1.543 20 5 CDBDRO CCCc1[nH]nc(-c2nc(C3([NH3+])CCC3)no2)c1[N+](=O)[O-] ZINC000261716371 140380439 /nfs/dbraw/zinc/38/04/39/140380439.db2.gz JEWBGPLIAJWMKG-UHFFFAOYSA-N 1 0 292.299 1.658 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261816147 140394612 /nfs/dbraw/zinc/39/46/12/140394612.db2.gz STINNDOWOXUGHP-MFKMUULPSA-N 1 0 279.315 1.918 20 5 CDBDRO CC(C)[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000423225118 397602889 /nfs/dbraw/zinc/60/28/89/397602889.db2.gz LHLUJHLVIXZJJW-FZMZJTMJSA-N 1 0 293.367 1.873 20 5 CDBDRO Cc1cc(N(C)CC(C)(C)C[NH3+])ncc1[N+](=O)[O-] ZINC000093874551 147072522 /nfs/dbraw/zinc/07/25/22/147072522.db2.gz FYTOBRBHDZJPNL-UHFFFAOYSA-N 1 0 252.318 1.719 20 5 CDBDRO CCOc1ccc(C(=O)N2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000160251935 147714269 /nfs/dbraw/zinc/71/42/69/147714269.db2.gz YATHKFWDRIWEGO-LLVKDONJSA-N 1 0 293.323 1.557 20 5 CDBDRO CO[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000167249797 147741566 /nfs/dbraw/zinc/74/15/66/147741566.db2.gz CAUGICYBCLZJLB-UWVGGRQHSA-N 1 0 299.352 1.235 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)n1 ZINC000176213419 148028626 /nfs/dbraw/zinc/02/86/26/148028626.db2.gz PKIBTCJTQFIPNQ-LLVKDONJSA-N 1 0 290.327 1.394 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000262078201 149011191 /nfs/dbraw/zinc/01/11/91/149011191.db2.gz XKSKKDKOYBFXPU-QWRGUYRKSA-N 1 0 293.323 1.169 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000310863476 149203327 /nfs/dbraw/zinc/20/33/27/149203327.db2.gz QXIBUMCOSWPXTN-VIFPVBQESA-N 1 0 251.286 1.452 20 5 CDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000342758643 151909608 /nfs/dbraw/zinc/90/96/08/151909608.db2.gz YFTYCLCNOLPKSC-LLVKDONJSA-N 1 0 292.339 1.123 20 5 CDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1O ZINC000352665604 155337582 /nfs/dbraw/zinc/33/75/82/155337582.db2.gz FTWWAAKYSUNIRL-AAEUAGOBSA-N 1 0 280.324 1.819 20 5 CDBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000344284336 152480678 /nfs/dbraw/zinc/48/06/78/152480678.db2.gz CNXBYRZMSTWOIM-ADEWGFFLSA-N 1 0 282.344 1.440 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000368215227 286381558 /nfs/dbraw/zinc/38/15/58/286381558.db2.gz OHQQURVTJZWAND-IUCAKERBSA-N 1 0 297.286 1.033 20 5 CDBDRO C[NH2+][C@H](C)Cc1noc(-c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000349906075 154265934 /nfs/dbraw/zinc/26/59/34/154265934.db2.gz GFWPSEPYVIYVMV-ZCFIWIBFSA-N 1 0 251.246 1.123 20 5 CDBDRO CC1=CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000355525135 157099015 /nfs/dbraw/zinc/09/90/15/157099015.db2.gz UVMMCMKPEOUGPE-UHFFFAOYSA-N 1 0 289.335 1.977 20 5 CDBDRO C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000362980687 159283214 /nfs/dbraw/zinc/28/32/14/159283214.db2.gz QUTWWGVKCLBHKQ-GVXVVHGQSA-N 1 0 291.351 1.970 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])o1 ZINC000363007617 159288915 /nfs/dbraw/zinc/28/89/15/159288915.db2.gz LLCDZANLYLKSAE-NXEZZACHSA-N 1 0 279.296 1.544 20 5 CDBDRO CN(Cc1cn2c(n1)CCCC2)c1ncc([N+](=O)[O-])cn1 ZINC000372991233 160163384 /nfs/dbraw/zinc/16/33/84/160163384.db2.gz SVRZSAFXWFGNNW-UHFFFAOYSA-N 1 0 288.311 1.554 20 5 CDBDRO CN1CCO[C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000284319793 196029663 /nfs/dbraw/zinc/02/96/63/196029663.db2.gz AYCDDYYFCHXWRH-CABCVRRESA-N 1 0 291.351 1.500 20 5 CDBDRO C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284859058 196145545 /nfs/dbraw/zinc/14/55/45/196145545.db2.gz AMAZWACTMKCEJB-MRVPVSSYSA-N 1 0 280.328 1.339 20 5 CDBDRO C[C@@H]([NH2+]CCNC(=O)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285089306 196194792 /nfs/dbraw/zinc/19/47/92/196194792.db2.gz JXSBITDWLGENCC-SECBINFHSA-N 1 0 292.339 1.354 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1CC1 ZINC000037395905 173176008 /nfs/dbraw/zinc/17/60/08/173176008.db2.gz UHWVXOIHUSVFAQ-UHFFFAOYSA-N 1 0 263.297 1.984 20 5 CDBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])o1)C1CC[NH2+]CC1 ZINC000037537665 173257374 /nfs/dbraw/zinc/25/73/74/173257374.db2.gz HWNKRUYPSASMED-UHFFFAOYSA-N 1 0 281.312 1.792 20 5 CDBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC[NH2+]CC1 ZINC000037537733 173257724 /nfs/dbraw/zinc/25/77/24/173257724.db2.gz XDYKHDXDADZLFF-UHFFFAOYSA-N 1 0 280.328 1.527 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2COCCO2)cs1 ZINC000038061168 174072160 /nfs/dbraw/zinc/07/21/60/174072160.db2.gz OXOWXQPDUSYSRS-SECBINFHSA-N 1 0 258.299 1.161 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000038087578 174099455 /nfs/dbraw/zinc/09/94/55/174099455.db2.gz WGGJPUKUMMFLLA-NSHDSACASA-N 1 0 251.330 1.943 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000040595040 174348436 /nfs/dbraw/zinc/34/84/36/174348436.db2.gz VJMRZYCBAHPOCB-LBPRGKRZSA-N 1 0 291.351 1.975 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000044501998 175185803 /nfs/dbraw/zinc/18/58/03/175185803.db2.gz CVQIIFOMJSRYIT-SNVBAGLBSA-N 1 0 263.297 1.324 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000044501682 175185809 /nfs/dbraw/zinc/18/58/09/175185809.db2.gz KEUFBRXRFVUQMX-NSHDSACASA-N 1 0 277.324 1.633 20 5 CDBDRO C[NH+]1CCC(CNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000044526203 175191452 /nfs/dbraw/zinc/19/14/52/175191452.db2.gz HWJOZNVIGRHPKA-UHFFFAOYSA-N 1 0 251.290 1.139 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000044528151 175192803 /nfs/dbraw/zinc/19/28/03/175192803.db2.gz ZJBYAIBZVGAQJK-LLVKDONJSA-N 1 0 277.324 1.714 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([NH3+])CC1 ZINC000044747897 175243599 /nfs/dbraw/zinc/24/35/99/175243599.db2.gz JUJOXCFJJIAXKE-UHFFFAOYSA-N 1 0 263.297 1.467 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000071143053 176040740 /nfs/dbraw/zinc/04/07/40/176040740.db2.gz XPHONERNDCNIHV-NSHDSACASA-N 1 0 277.324 1.585 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000071143312 176040781 /nfs/dbraw/zinc/04/07/81/176040781.db2.gz IXBMEZDRBLLPIJ-LLVKDONJSA-N 1 0 277.324 1.585 20 5 CDBDRO COC[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000071269821 176103367 /nfs/dbraw/zinc/10/33/67/176103367.db2.gz NMNYCGMQLLONCY-BXKDBHETSA-N 1 0 254.286 1.253 20 5 CDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[NH2+]C1 ZINC000071397152 176150852 /nfs/dbraw/zinc/15/08/52/176150852.db2.gz FTTFKRWVRGWAPJ-FZKGZDJFSA-N 1 0 275.308 1.476 20 5 CDBDRO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000078723317 177375925 /nfs/dbraw/zinc/37/59/25/177375925.db2.gz ZUFBBMXSONLZDT-VIFPVBQESA-N 1 0 277.324 1.924 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000214007452 260223353 /nfs/dbraw/zinc/22/33/53/260223353.db2.gz KRZAFKADTYTKAM-MEQVVJDKSA-N 1 0 275.308 1.428 20 5 CDBDRO [NH3+]C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000313358587 260287487 /nfs/dbraw/zinc/28/74/87/260287487.db2.gz QMWJCRVBTSYCLS-GFCCVEGCSA-N 1 0 299.758 1.798 20 5 CDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]C1 ZINC000217463157 260857078 /nfs/dbraw/zinc/85/70/78/260857078.db2.gz NFACHTSSCCITNK-QDZRJHCZSA-N 1 0 289.335 1.724 20 5 CDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000525804666 262366796 /nfs/dbraw/zinc/36/67/96/262366796.db2.gz IJVLKWYTKFSVDW-LLVKDONJSA-N 1 0 277.324 1.666 20 5 CDBDRO CCCC[N@H+](CCO)CCn1c(C)ncc1[N+](=O)[O-] ZINC000049800338 424447232 /nfs/dbraw/zinc/44/72/32/424447232.db2.gz RFDUVAGQJYZGGY-UHFFFAOYSA-N 1 0 270.333 1.194 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000397182461 270347174 /nfs/dbraw/zinc/34/71/74/270347174.db2.gz JWVGHZFLSAVLHB-UHFFFAOYSA-N 1 0 265.313 1.381 20 5 CDBDRO CCc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000186701309 273768887 /nfs/dbraw/zinc/76/88/87/273768887.db2.gz MLZBJIJWNHSCOX-GXFFZTMASA-N 1 0 291.351 1.885 20 5 CDBDRO CCc1ccc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000186701360 273768946 /nfs/dbraw/zinc/76/89/46/273768946.db2.gz MLZBJIJWNHSCOX-MFKMUULPSA-N 1 0 291.351 1.885 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000278716440 274118192 /nfs/dbraw/zinc/11/81/92/274118192.db2.gz JRYFMHYVUHKXHW-PHIMTYICSA-N 1 0 277.324 1.601 20 5 CDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000286492585 274639036 /nfs/dbraw/zinc/63/90/36/274639036.db2.gz RLSDFNLWVCXKQF-UWVGGRQHSA-N 1 0 292.343 1.030 20 5 CDBDRO O=C1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H]2CCCCN12 ZINC000314010463 275020879 /nfs/dbraw/zinc/02/08/79/275020879.db2.gz FFVNWECHTPNZHU-GXTWGEPZSA-N 1 0 289.335 1.838 20 5 CDBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000127718479 275702927 /nfs/dbraw/zinc/70/29/27/275702927.db2.gz BKSMNOIITJJJPD-CYBMUJFWSA-N 1 0 293.367 1.969 20 5 CDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCn1ccc([N+](=O)[O-])n1 ZINC000177308311 276234260 /nfs/dbraw/zinc/23/42/60/276234260.db2.gz BXPQFMIVQQBACM-OLZOCXBDSA-N 1 0 293.371 1.350 20 5 CDBDRO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC000160120478 276919979 /nfs/dbraw/zinc/91/99/79/276919979.db2.gz GKCBKWHVBCLMDJ-ZDUSSCGKSA-N 1 0 292.339 1.202 20 5 CDBDRO CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000042561211 277249123 /nfs/dbraw/zinc/24/91/23/277249123.db2.gz YYXNPFXCVVDABW-IUCAKERBSA-N 1 0 251.286 1.380 20 5 CDBDRO C[NH2+][C@H]1CCCN(c2nc(C)ccc2[N+](=O)[O-])C1 ZINC000162857248 277300446 /nfs/dbraw/zinc/30/04/46/277300446.db2.gz IVCNPNIIZHMUQI-JTQLQIEISA-N 1 0 250.302 1.486 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000430618225 278317133 /nfs/dbraw/zinc/31/71/33/278317133.db2.gz RYMLUKFYYCEVCD-NXEZZACHSA-N 1 0 267.333 1.030 20 5 CDBDRO C[C@@H]([NH2+]C[C@H]1COCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000038060765 278355922 /nfs/dbraw/zinc/35/59/22/278355922.db2.gz MMMTUPBFIZYHSZ-MFKMUULPSA-N 1 0 266.297 1.661 20 5 CDBDRO C[C@@H]1[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]1C ZINC000262849320 279037344 /nfs/dbraw/zinc/03/73/44/279037344.db2.gz ZECQFTMSRZWJDW-IUCAKERBSA-N 1 0 281.287 1.556 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417237458 279260506 /nfs/dbraw/zinc/26/05/06/279260506.db2.gz WPUVZOYUFKGIRK-SNVBAGLBSA-N 1 0 280.328 1.174 20 5 CDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCC[C@@H]1CC[NH2+]C1 ZINC000110796102 279318932 /nfs/dbraw/zinc/31/89/32/279318932.db2.gz LTBWTQWQSRBDTM-IHVVCDCBSA-N 1 0 289.335 1.724 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000063192918 279417710 /nfs/dbraw/zinc/41/77/10/279417710.db2.gz FEPJIHBSDLHYFP-GZMMTYOYSA-N 1 0 266.301 1.265 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000111010160 279686719 /nfs/dbraw/zinc/68/67/19/279686719.db2.gz RURMYIXGORUZTJ-QMMMGPOBSA-N 1 0 283.715 1.812 20 5 CDBDRO Cc1n[nH]c(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000424084233 280189233 /nfs/dbraw/zinc/18/92/33/280189233.db2.gz YPPYBUKFTDOABF-MRTMQBJTSA-N 1 0 295.343 1.072 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261633233 280372754 /nfs/dbraw/zinc/37/27/54/280372754.db2.gz WDWBQAVVOOZTDA-KOLCDFICSA-N 1 0 265.288 1.922 20 5 CDBDRO Cc1nc(N[C@@H](C)C[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000296554331 280588198 /nfs/dbraw/zinc/58/81/98/280588198.db2.gz PAEQWWRGFVVHLF-JTQLQIEISA-N 1 0 279.344 1.980 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000261587531 281014125 /nfs/dbraw/zinc/01/41/25/281014125.db2.gz JNWDZFCMVIDQBJ-GHMZBOCLSA-N 1 0 262.313 1.486 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000520815687 281056560 /nfs/dbraw/zinc/05/65/60/281056560.db2.gz VXJRWAKBSXCADF-JGVFFNPUSA-N 1 0 266.301 1.033 20 5 CDBDRO Cc1cnc(N2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000090692564 281601091 /nfs/dbraw/zinc/60/10/91/281601091.db2.gz QWZPLBOKRXUKIO-JTQLQIEISA-N 1 0 250.302 1.473 20 5 CDBDRO C[NH+](C)CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255885103 289388920 /nfs/dbraw/zinc/38/89/20/289388920.db2.gz NUQFPNDVKMVDHL-FPLPWBNLSA-N 1 0 263.297 1.286 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCOCCO ZINC000542811199 289565598 /nfs/dbraw/zinc/56/55/98/289565598.db2.gz SYXLTLZSDVDSAL-LBPRGKRZSA-N 1 0 282.340 1.953 20 5 CDBDRO CNc1ccc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000563108945 293276802 /nfs/dbraw/zinc/27/68/02/293276802.db2.gz RPJPYEGRQXGNSZ-VHSXEESVSA-N 1 0 292.339 1.446 20 5 CDBDRO Cc1nc(N(C)CCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000564531335 293368039 /nfs/dbraw/zinc/36/80/39/293368039.db2.gz CBIKNAYFAPFREO-UHFFFAOYSA-N 1 0 253.306 1.081 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000564955844 293468855 /nfs/dbraw/zinc/46/88/55/293468855.db2.gz BGDAFFPMLNBCIJ-BDAKNGLRSA-N 1 0 295.343 1.128 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000567248149 293745669 /nfs/dbraw/zinc/74/56/69/293745669.db2.gz IEZSRLORGKKWJH-JTQLQIEISA-N 1 0 292.339 1.400 20 5 CDBDRO CC[C@@H](CCO)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567876924 293896385 /nfs/dbraw/zinc/89/63/85/293896385.db2.gz CDTQAMNTVNSDIS-RYUDHWBXSA-N 1 0 298.339 1.085 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000570911175 294330555 /nfs/dbraw/zinc/33/05/55/294330555.db2.gz XMUYURYOXIICGX-GFCCVEGCSA-N 1 0 292.339 1.488 20 5 CDBDRO COc1cccc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000261710399 295306164 /nfs/dbraw/zinc/30/61/64/295306164.db2.gz JIZZTWGUEGJMQA-MNOVXSKESA-N 1 0 277.324 1.649 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000189322853 297541725 /nfs/dbraw/zinc/54/17/25/297541725.db2.gz JNQBFZBQDOEJHU-UWVGGRQHSA-N 1 0 299.352 1.014 20 5 CDBDRO CNc1ccc(C(=O)N[C@](C)(C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000576944742 317235312 /nfs/dbraw/zinc/23/53/12/317235312.db2.gz GVKWYUOGUABLSQ-CQSZACIVSA-N 1 0 294.355 1.740 20 5 CDBDRO CO[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000577484738 317337826 /nfs/dbraw/zinc/33/78/26/317337826.db2.gz VITXOMJWAKSYOQ-NQBHXWOUSA-N 1 0 298.339 1.348 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000382454715 323641550 /nfs/dbraw/zinc/64/15/50/323641550.db2.gz PMUHXWGGLOMVJL-UWVGGRQHSA-N 1 0 299.352 1.001 20 5 CDBDRO COCC(COC)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000388480456 323791143 /nfs/dbraw/zinc/79/11/43/323791143.db2.gz UFUHOQHNQLVOMB-UHFFFAOYSA-N 1 0 268.313 1.654 20 5 CDBDRO CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000578943572 324059931 /nfs/dbraw/zinc/05/99/31/324059931.db2.gz NTADPMPSESZPQN-ZDUSSCGKSA-N 1 0 292.339 1.402 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1N1CC[C@@H]3[NH2+]CC[C@H]3C1)CCN2 ZINC000579817527 324287990 /nfs/dbraw/zinc/28/79/90/324287990.db2.gz OWRSUEUKPADNFR-JQWIXIFHSA-N 1 0 288.351 1.751 20 5 CDBDRO CCOc1ccc([C@@H](C)NC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000580827692 324570355 /nfs/dbraw/zinc/57/03/55/324570355.db2.gz FIDQAEPFUDYBIJ-SECBINFHSA-N 1 0 265.313 1.616 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000582906187 325067249 /nfs/dbraw/zinc/06/72/49/325067249.db2.gz LAQGPWFTPQAPET-QWRGUYRKSA-N 1 0 292.339 1.385 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H](C[NH3+])CC[C@H]1C ZINC000227214306 1161405114 /nfs/dbraw/zinc/40/51/14/1161405114.db2.gz RVJBVLSHVJQKQT-GHMZBOCLSA-N 1 0 264.329 1.862 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2ccc(CO)cc2)C1 ZINC001168998068 1161996778 /nfs/dbraw/zinc/99/67/78/1161996778.db2.gz HXEFBGBTJOOVIA-GJZGRUSLSA-N 1 0 278.352 1.756 20 5 CDBDRO CC(C)(NC(=O)CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000236655028 519303690 /nfs/dbraw/zinc/30/36/90/519303690.db2.gz XJFCGWXJKCDGCD-UHFFFAOYSA-N 1 0 251.286 1.295 20 5 CDBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])CCC(=O)OC ZINC000064569668 521151750 /nfs/dbraw/zinc/15/17/50/521151750.db2.gz BKHPKGPTTFJOKT-UHFFFAOYSA-N 1 0 296.323 1.859 20 5 CDBDRO CNC(=O)c1ccc(NCC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000067711207 521847516 /nfs/dbraw/zinc/84/75/16/521847516.db2.gz HHTPRIMZNNGVIK-UHFFFAOYSA-N 1 0 292.339 1.461 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000148827050 522031376 /nfs/dbraw/zinc/03/13/76/522031376.db2.gz FUTVRJXFFNGHEB-SECBINFHSA-N 1 0 265.313 1.489 20 5 CDBDRO C[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000163603138 524244281 /nfs/dbraw/zinc/24/42/81/524244281.db2.gz YZJMPRBHGWPCHZ-WCQYABFASA-N 1 0 291.351 1.581 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000186851004 524314582 /nfs/dbraw/zinc/31/45/82/524314582.db2.gz IYICNDUOBDUKSQ-GXFFZTMASA-N 1 0 277.324 1.252 20 5 CDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[N@H+](C)C1CC1 ZINC000340727083 524713709 /nfs/dbraw/zinc/71/37/09/524713709.db2.gz OJOSXIZZHGESRM-QMMMGPOBSA-N 1 0 266.301 1.135 20 5 CDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157328757 525209875 /nfs/dbraw/zinc/20/98/75/525209875.db2.gz OHRGVFDGQAWENL-GHMZBOCLSA-N 1 0 252.318 1.769 20 5 CDBDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](CO)O1)c1ccc([N+](=O)[O-])cc1 ZINC000340416440 525395861 /nfs/dbraw/zinc/39/58/61/525395861.db2.gz NAOAHADTSKUEOK-BPNCWPANSA-N 1 0 280.324 1.785 20 5 CDBDRO C[C@H]([NH2+]C[C@H]1CC[C@H](CO)O1)c1cccc([N+](=O)[O-])c1 ZINC000340411043 525420800 /nfs/dbraw/zinc/42/08/00/525420800.db2.gz CBASWHAWTSCVOH-ZLKJLUDKSA-N 1 0 280.324 1.785 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000052812810 525577947 /nfs/dbraw/zinc/57/79/47/525577947.db2.gz AKWUXRGVMYAMQD-JTQLQIEISA-N 1 0 262.313 1.947 20 5 CDBDRO C[NH2+]CCC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856454 536444255 /nfs/dbraw/zinc/44/42/55/536444255.db2.gz YAHPNNWLMRKDCF-UHFFFAOYSA-N 1 0 251.286 1.129 20 5 CDBDRO COc1cc(C(=O)N[C@@H](C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000311441848 536498441 /nfs/dbraw/zinc/49/84/41/536498441.db2.gz GRZKDSHWEDPHCV-QMMMGPOBSA-N 1 0 267.285 1.071 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000050228565 527362492 /nfs/dbraw/zinc/36/24/92/527362492.db2.gz UXGIPZRFHONGQJ-MVIFTORASA-N 1 0 261.281 1.168 20 5 CDBDRO Cc1nn(C)c(-c2nc([C@H]([NH3+])CC(C)C)no2)c1[N+](=O)[O-] ZINC000339389325 527596541 /nfs/dbraw/zinc/59/65/41/527596541.db2.gz FVWIDFGOYSETPU-MRVPVSSYSA-N 1 0 294.315 1.733 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000307914167 527794345 /nfs/dbraw/zinc/79/43/45/527794345.db2.gz NQAPTRKSZOXVCB-FMFIFOJESA-N 1 0 289.335 1.865 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000150258922 528817425 /nfs/dbraw/zinc/81/74/25/528817425.db2.gz IHYMLHGMWGCVHV-JTQLQIEISA-N 1 0 283.303 1.981 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000157341153 528821859 /nfs/dbraw/zinc/82/18/59/528821859.db2.gz CNSCBEXFUWIORN-UHFFFAOYSA-N 1 0 280.328 1.247 20 5 CDBDRO CC(C)[N@H+](C)CCCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000263945628 535003054 /nfs/dbraw/zinc/00/30/54/535003054.db2.gz GRUPJVBIVRNBOF-UHFFFAOYSA-N 1 0 268.321 1.109 20 5 CDBDRO CC(C)(NC(=O)N[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000418384058 535226301 /nfs/dbraw/zinc/22/63/01/535226301.db2.gz NXOPZGLTENCHHM-LLVKDONJSA-N 1 0 292.339 1.491 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000422774869 535427261 /nfs/dbraw/zinc/42/72/61/535427261.db2.gz YTQBZZOKBJHMBT-JTQLQIEISA-N 1 0 293.323 1.414 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C[NH3+])C2CC2)c1 ZINC000422857046 535428398 /nfs/dbraw/zinc/42/83/98/535428398.db2.gz GNHFCIDZJUMPDE-GFCCVEGCSA-N 1 0 293.323 1.461 20 5 CDBDRO CC[C@H]([NH2+][C@H]1COC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000323370682 535948765 /nfs/dbraw/zinc/94/87/65/535948765.db2.gz DYQHDAGOIQMETC-RWMBFGLXSA-N 1 0 266.297 1.395 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000261667556 535969142 /nfs/dbraw/zinc/96/91/42/535969142.db2.gz ZPBPSNPURKSKLM-PSASIEDQSA-N 1 0 267.333 1.293 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000262292743 536411152 /nfs/dbraw/zinc/41/11/52/536411152.db2.gz YSMCRLYOGNWRDG-VIFPVBQESA-N 1 0 278.312 1.001 20 5 CDBDRO CNC(=O)c1ccc(NC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000213391087 536434081 /nfs/dbraw/zinc/43/40/81/536434081.db2.gz GEEMXHYIPHNNAO-SNVBAGLBSA-N 1 0 278.312 1.118 20 5 CDBDRO O=[N+]([O-])c1ccnn1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000730804577 575011206 /nfs/dbraw/zinc/01/12/06/575011206.db2.gz JELDHSFRZIEVQE-GFCCVEGCSA-N 1 0 279.344 1.309 20 5 CDBDRO CC[NH+](CC)CCOC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000772190107 575670613 /nfs/dbraw/zinc/67/06/13/575670613.db2.gz GJGCFHIOSNKQHG-UHFFFAOYSA-N 1 0 282.296 1.799 20 5 CDBDRO CC[N@H+](C[C@H]1CCOC1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000738081466 576036876 /nfs/dbraw/zinc/03/68/76/576036876.db2.gz LAJHJDUBJTZMPE-GFCCVEGCSA-N 1 0 282.344 1.724 20 5 CDBDRO Cc1nc(N2C[C@H](C)[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000123634919 1175253542 /nfs/dbraw/zinc/25/35/42/1175253542.db2.gz XBRVQFPSXBFDLJ-IUCAKERBSA-N 1 0 250.302 1.485 20 5 CDBDRO CC(C)(COC(=O)C12CCC[NH+](CCC1)C2)[N+](=O)[O-] ZINC000893157467 617417334 /nfs/dbraw/zinc/41/73/34/617417334.db2.gz OECRMHYPYUWJIC-UHFFFAOYSA-N 1 0 270.329 1.461 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](CNc2c([N+](=O)[O-])cnn2C)C1 ZINC000892081188 617468427 /nfs/dbraw/zinc/46/84/27/617468427.db2.gz VRSZLUFLSPRVKV-JTQLQIEISA-N 1 0 267.333 1.471 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CCC[C@@H](C[NH+](C)C)C1 ZINC000892172806 617525797 /nfs/dbraw/zinc/52/57/97/617525797.db2.gz QQVSKWOCGOLISA-JTQLQIEISA-N 1 0 267.333 1.106 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)COC(C)=O ZINC000892939545 617932803 /nfs/dbraw/zinc/93/28/03/617932803.db2.gz RRTUTLFPMKXIJE-VIFPVBQESA-N 1 0 282.296 1.645 20 5 CDBDRO COC(=O)C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000934032884 617878427 /nfs/dbraw/zinc/87/84/27/617878427.db2.gz UAYIDBGLVUCBJZ-SNVBAGLBSA-N 1 0 298.343 1.359 20 5 CDBDRO CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000892970715 618004457 /nfs/dbraw/zinc/00/44/57/618004457.db2.gz KBUOXSVFUPCWRQ-SNVBAGLBSA-N 1 0 280.328 1.529 20 5 CDBDRO Cc1cc(C(=O)NC2CC[NH+](C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000104137785 618677744 /nfs/dbraw/zinc/67/77/44/618677744.db2.gz MLASWKYMIODMIR-UHFFFAOYSA-N 1 0 292.339 1.309 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NCC[C@@H](C)[NH+](C)C ZINC000894521325 618935502 /nfs/dbraw/zinc/93/55/02/618935502.db2.gz MZULZZYZUUMZKA-SECBINFHSA-N 1 0 268.317 1.751 20 5 CDBDRO [NH3+][C@@H](CC(=O)NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000137391259 619907653 /nfs/dbraw/zinc/90/76/53/619907653.db2.gz QOOCBHNVCUGYDD-LBPRGKRZSA-N 1 0 263.297 1.338 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000041028055 621614711 /nfs/dbraw/zinc/61/47/11/621614711.db2.gz LTZFGKOCRUFKQG-QMMMGPOBSA-N 1 0 255.299 1.220 20 5 CDBDRO C[C@@H](C[NH2+]CC[N+](=O)[O-])N1CCN(c2ccccc2)CC1 ZINC000899870088 622496324 /nfs/dbraw/zinc/49/63/24/622496324.db2.gz LJCXKPBXOIPOIB-AWEZNQCLSA-N 1 0 292.383 1.063 20 5 CDBDRO CN(CCCC[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000899872818 622503103 /nfs/dbraw/zinc/50/31/03/622503103.db2.gz FRDSPQJJWRPILN-UHFFFAOYSA-N 1 0 251.330 1.769 20 5 CDBDRO CN1CC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000903317080 625970647 /nfs/dbraw/zinc/97/06/47/625970647.db2.gz JHVKVRMSZITSFF-AGIUHOORSA-N 1 0 293.371 1.569 20 5 CDBDRO COc1ccccc1OCCC[NH2+]CC[N+](=O)[O-] ZINC000905097172 626637660 /nfs/dbraw/zinc/63/76/60/626637660.db2.gz YXLYFUYETQTCGQ-UHFFFAOYSA-N 1 0 254.286 1.330 20 5 CDBDRO C[C@@H](O)C[C@H](C[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000905158887 626641399 /nfs/dbraw/zinc/64/13/99/626641399.db2.gz LIVRKHFHZCACPU-DGCLKSJQSA-N 1 0 252.314 1.407 20 5 CDBDRO C[C@@H]1CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000905971448 627061205 /nfs/dbraw/zinc/06/12/05/627061205.db2.gz BKIQQPBIZSJTCQ-ZYHUDNBSSA-N 1 0 266.297 1.429 20 5 CDBDRO O=[N+]([O-])c1ccccc1-c1nnn(CC[NH+]2CCCC2)n1 ZINC000912455353 630024532 /nfs/dbraw/zinc/02/45/32/630024532.db2.gz UQUPAVMTIRWORF-UHFFFAOYSA-N 1 0 288.311 1.344 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000877005681 630589436 /nfs/dbraw/zinc/58/94/36/630589436.db2.gz LCHHMQAHIARPDT-UHFFFAOYSA-N 1 0 265.313 1.632 20 5 CDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCn2ccnc2[N+](=O)[O-])C1 ZINC000918386791 632365699 /nfs/dbraw/zinc/36/56/99/632365699.db2.gz KLMLWCKBHLDJRJ-PHIMTYICSA-N 1 0 252.318 1.769 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]CC2CC(O)C2)c([N+](=O)[O-])c1 ZINC001170307822 1162339980 /nfs/dbraw/zinc/33/99/80/1162339980.db2.gz IHYQLHDAJWWCMQ-ZBOXLXRLSA-N 1 0 294.351 1.895 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(NCC(C)(C)C[NH+](C)C)n1 ZINC001157942188 1162600104 /nfs/dbraw/zinc/60/01/04/1162600104.db2.gz RALRQKJGIITWSJ-UHFFFAOYSA-N 1 0 297.359 1.702 20 5 CDBDRO CCN(c1nc(Cl)ncc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC001158199921 1162777218 /nfs/dbraw/zinc/77/72/18/1162777218.db2.gz HJCZGEMCTIWUHU-QMMMGPOBSA-N 1 0 285.735 1.617 20 5 CDBDRO C[C@H](Nc1ccc2c([N+](=O)[O-])c[nH]c2n1)[C@H]1C[NH2+]CCO1 ZINC001170565314 1162930245 /nfs/dbraw/zinc/93/02/45/1162930245.db2.gz UVZQJDBXVBRIBE-GZMMTYOYSA-N 1 0 291.311 1.260 20 5 CDBDRO COc1cc(C)c([N+](=O)[O-])cc1N[C@@H](C)[C@@H]1C[NH2+]CCO1 ZINC001170567120 1162940903 /nfs/dbraw/zinc/94/09/03/1162940903.db2.gz JEOKLEZIMCSCAP-HZMBPMFUSA-N 1 0 295.339 1.701 20 5 CDBDRO C[C@H](Nc1cc([N+](=O)[O-])c2nccn2c1)[C@H]1C[NH2+]CCO1 ZINC001170568387 1162947265 /nfs/dbraw/zinc/94/72/65/1162947265.db2.gz OCTGVDQCUURKPM-JOYOIKCWSA-N 1 0 291.311 1.031 20 5 CDBDRO [NH3+]Cc1ccc2nnn(-c3cnc(F)c([N+](=O)[O-])c3)c2c1 ZINC001170023901 1162039855 /nfs/dbraw/zinc/03/98/55/1162039855.db2.gz GOQGCKAUFNRQBT-UHFFFAOYSA-N 1 0 288.242 1.322 20 5 CDBDRO COc1cc(N[C@@]23CCC[C@@H]2[NH2+]CC3)ncc1[N+](=O)[O-] ZINC001155402930 1167159248 /nfs/dbraw/zinc/15/92/48/1167159248.db2.gz YNWUWXAICBSHPG-WCQYABFASA-N 1 0 278.312 1.695 20 5 CDBDRO Cc1nc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)ccc1[N+](=O)[O-] ZINC001155582899 1167240925 /nfs/dbraw/zinc/24/09/25/1167240925.db2.gz DOCXXQQHUQNAEX-VWYCJHECSA-N 1 0 262.313 1.708 20 5 CDBDRO C[C@]([NH3+])(C(=O)NCc1ccoc1)c1cccc([N+](=O)[O-])c1 ZINC001576084440 1171329599 /nfs/dbraw/zinc/32/95/99/1171329599.db2.gz BXVRLIJWAHJEGQ-CQSZACIVSA-N 1 0 289.291 1.678 20 5 CDBDRO O=C(C[NH2+]C1CC1)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001580555762 1172467829 /nfs/dbraw/zinc/46/78/29/1172467829.db2.gz FBFZAGGNQRFEJK-UHFFFAOYSA-N 1 0 286.291 1.834 20 5 CDBDRO CN(CC1CC[NH2+]CC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000094022174 1174457911 /nfs/dbraw/zinc/45/79/11/1174457911.db2.gz HUFOVPUEXTZNPM-UHFFFAOYSA-N 1 0 283.353 1.728 20 5 CDBDRO O=[N+]([O-])c1ccc(-n2cc(C[NH2+]CC3CC3)nn2)cc1 ZINC000161974778 1179101677 /nfs/dbraw/zinc/10/16/77/1179101677.db2.gz WQHCDDVQPWBSIN-UHFFFAOYSA-N 1 0 273.296 1.675 20 5 CDBDRO CC(C)([NH3+])CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000405899062 1186581158 /nfs/dbraw/zinc/58/11/58/1186581158.db2.gz QLEUWXWPNAIVCO-UHFFFAOYSA-N 1 0 269.276 1.591 20 5 CDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000153150231 719372066 /nfs/dbraw/zinc/37/20/66/719372066.db2.gz LTKOXILMHHCEGG-WDEREUQCSA-N 1 0 298.730 1.162 20 5 CDBDRO Cc1ccnc(N2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000265169407 721887858 /nfs/dbraw/zinc/88/78/58/721887858.db2.gz GVHAZJSWIRWHTD-NSHDSACASA-N 1 0 264.329 1.829 20 5 CDBDRO CCN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CCC[NH2+]C1 ZINC000110939594 1166536633 /nfs/dbraw/zinc/53/66/33/1166536633.db2.gz KPQILIPNPADQCF-JTQLQIEISA-N 1 0 280.328 1.147 20 5 CDBDRO CC(C)C[C@H](O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843068124 818016476 /nfs/dbraw/zinc/01/64/76/818016476.db2.gz FDLKTHFHLNTQJY-KBPBESRZSA-N 1 0 282.340 1.625 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2C[C@@H]2[NH3+])n1 ZINC000822808468 818032853 /nfs/dbraw/zinc/03/28/53/818032853.db2.gz UUOREJSLROYLNN-ZJUUUORDSA-N 1 0 260.253 1.768 20 5 CDBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000825279964 818094504 /nfs/dbraw/zinc/09/45/04/818094504.db2.gz VPPDRCRVQVEVFR-SCZZXKLOSA-N 1 0 297.742 1.992 20 5 CDBDRO CON(C)C(=O)[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000858579300 818314225 /nfs/dbraw/zinc/31/42/25/818314225.db2.gz DHESAAKPDPDCTO-JOYOIKCWSA-N 1 0 293.323 1.580 20 5 CDBDRO C[C@H]([NH3+])c1cn(Cc2cc(F)ccc2[N+](=O)[O-])nn1 ZINC000124279543 818336462 /nfs/dbraw/zinc/33/64/62/818336462.db2.gz NXKSPQHQIGKKEM-ZETCQYMHSA-N 1 0 265.248 1.393 20 5 CDBDRO COc1ccc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000132008074 818531141 /nfs/dbraw/zinc/53/11/41/818531141.db2.gz XYLPCVHJLOHAIJ-VHSXEESVSA-N 1 0 293.323 1.413 20 5 CDBDRO O=C(NCC1C[NH2+]C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841010522 818548288 /nfs/dbraw/zinc/54/82/88/818548288.db2.gz FJRDEEDBMLTODN-UHFFFAOYSA-N 1 0 284.703 1.589 20 5 CDBDRO CC(C)(CCO)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000227947372 818602001 /nfs/dbraw/zinc/60/20/01/818602001.db2.gz XHOAIXZDTIZNOE-CYBMUJFWSA-N 1 0 282.340 1.626 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2COCCN2)cc1Cl ZINC000863649381 818666186 /nfs/dbraw/zinc/66/61/86/818666186.db2.gz CPHHMIBTOLCVJO-JTQLQIEISA-N 1 0 285.731 1.326 20 5 CDBDRO CCN(C)C(=O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783676876 818693354 /nfs/dbraw/zinc/69/33/54/818693354.db2.gz BQXLOXHVMXFKIL-UHFFFAOYSA-N 1 0 285.731 1.816 20 5 CDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C1 ZINC000211458494 818696055 /nfs/dbraw/zinc/69/60/55/818696055.db2.gz KDPCLYDEUIFBCA-ZTYXWKCZSA-N 1 0 261.281 1.086 20 5 CDBDRO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000886086540 818718069 /nfs/dbraw/zinc/71/80/69/818718069.db2.gz KLGQLIXTQREXBJ-CMPLNLGQSA-N 1 0 265.313 1.583 20 5 CDBDRO CN(C)CC(C)(C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839094137 818838264 /nfs/dbraw/zinc/83/82/64/818838264.db2.gz RKNGTLMFOSMJTN-ZDUSSCGKSA-N 1 0 281.356 1.558 20 5 CDBDRO C[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)CC1(C)COC1 ZINC000863299454 818879682 /nfs/dbraw/zinc/87/96/82/818879682.db2.gz KZERKHFXSQJVDM-UHFFFAOYSA-N 1 0 290.323 1.870 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c1[N+](=O)[O-] ZINC000843345878 819001490 /nfs/dbraw/zinc/00/14/90/819001490.db2.gz IFNWRBBQZLMHJS-JOYOIKCWSA-N 1 0 295.314 1.852 20 5 CDBDRO Cc1ccc(CNC(=O)[C@@H]([NH3+])CC2CC2)cc1[N+](=O)[O-] ZINC000884468488 819023860 /nfs/dbraw/zinc/02/38/60/819023860.db2.gz DRYBTLKJQXQHRK-LBPRGKRZSA-N 1 0 277.324 1.647 20 5 CDBDRO Cc1n[nH]cc1C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000879187695 819039390 /nfs/dbraw/zinc/03/93/90/819039390.db2.gz BBIMBNJUNRITDW-AWEZNQCLSA-N 1 0 290.323 1.792 20 5 CDBDRO Cc1cc(F)cc(C(=O)NC[C@@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000178782147 819119806 /nfs/dbraw/zinc/11/98/06/819119806.db2.gz QXLKRQUCVBVKHB-JTQLQIEISA-N 1 0 281.287 1.524 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[S@@](C)=O ZINC000786816757 819205863 /nfs/dbraw/zinc/20/58/63/819205863.db2.gz WRWOVSTYQADUIA-UFUQCMIWSA-N 1 0 282.365 1.966 20 5 CDBDRO C[N@H+](CC[N+](=O)[O-])C1CC(NC(=O)OC(C)(C)C)C1 ZINC000930623559 819221190 /nfs/dbraw/zinc/22/11/90/819221190.db2.gz WBROXFJGSAKRBK-UHFFFAOYSA-N 1 0 273.333 1.251 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1C[NH2+]CCCO1 ZINC000841085986 819257959 /nfs/dbraw/zinc/25/79/59/819257959.db2.gz KHFMWFYMQGMMJZ-GFCCVEGCSA-N 1 0 299.758 1.716 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H](CCO)C1CC1 ZINC000851933906 819373718 /nfs/dbraw/zinc/37/37/18/819373718.db2.gz WHNZDSNOBKPSLR-LBPRGKRZSA-N 1 0 268.288 1.985 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000702660732 819386890 /nfs/dbraw/zinc/38/68/90/819386890.db2.gz QCDYZEVYSBSQAU-VXNVDRBHSA-N 1 0 267.260 1.296 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000719109870 819406650 /nfs/dbraw/zinc/40/66/50/819406650.db2.gz RJNJIDQYDOWDKE-JTQLQIEISA-N 1 0 296.298 1.929 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[NH2+]C2)c1C ZINC000884011521 819543872 /nfs/dbraw/zinc/54/38/72/819543872.db2.gz HMWWPBDBAHHWSP-LLVKDONJSA-N 1 0 277.324 1.693 20 5 CDBDRO Cc1c(C[NH2+]C[C@H]2C[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000720939091 819622619 /nfs/dbraw/zinc/62/26/19/819622619.db2.gz HDMDIPFEGBNGDI-UMSPYCQHSA-N 1 0 250.298 1.764 20 5 CDBDRO CSCC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000932591284 819690418 /nfs/dbraw/zinc/69/04/18/819690418.db2.gz MMNLZKUXFSIFBP-UHFFFAOYSA-N 1 0 284.385 1.866 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H](C)N1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923332900 819815360 /nfs/dbraw/zinc/81/53/60/819815360.db2.gz NLEPHABBRXHSBW-UHIISALHSA-N 1 0 279.340 1.310 20 5 CDBDRO COCC[NH2+]CC(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000843495965 819821284 /nfs/dbraw/zinc/82/12/84/819821284.db2.gz YEXVQROCVWZZMZ-UHFFFAOYSA-N 1 0 293.323 1.028 20 5 CDBDRO COc1ccc(NC(=O)N(C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000859675749 819838594 /nfs/dbraw/zinc/83/85/94/819838594.db2.gz OWCQOGSMBBQFMJ-MRVPVSSYSA-N 1 0 282.300 1.414 20 5 CDBDRO COc1cc(C(=O)NCCCCCC[NH3+])ccc1[N+](=O)[O-] ZINC000843510716 819846012 /nfs/dbraw/zinc/84/60/12/819846012.db2.gz ZJMYISAQTYFMLL-UHFFFAOYSA-N 1 0 295.339 1.852 20 5 CDBDRO Cc1ccc(C[NH2+]CCO[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000922940111 819908692 /nfs/dbraw/zinc/90/86/92/819908692.db2.gz BWXRGRBCAZZIGX-CYBMUJFWSA-N 1 0 280.324 1.798 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCN2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000420402340 820069400 /nfs/dbraw/zinc/06/94/00/820069400.db2.gz LZPPTWCQDHBCPI-HNNXBMFYSA-N 1 0 291.351 1.802 20 5 CDBDRO C[NH+](C)CC[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)(C)C ZINC000839685222 820351388 /nfs/dbraw/zinc/35/13/88/820351388.db2.gz PBBPIBBDSZYSBN-MXWKQRLJSA-N 1 0 271.361 1.134 20 5 CDBDRO Cc1nccn1CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000312429282 820372940 /nfs/dbraw/zinc/37/29/40/820372940.db2.gz LQFIUPUBBSXKNJ-UHFFFAOYSA-N 1 0 292.324 1.921 20 5 CDBDRO CN1CC[C@H]1CNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000928570583 820390250 /nfs/dbraw/zinc/39/02/50/820390250.db2.gz WOWUAHGWOORFEA-JTQLQIEISA-N 1 0 295.364 1.507 20 5 CDBDRO C[C@H](CCO)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000132909526 820701721 /nfs/dbraw/zinc/70/17/21/820701721.db2.gz QPFKQUNMFWFZLJ-SNVBAGLBSA-N 1 0 254.286 1.334 20 5 CDBDRO C[C@@H]([NH2+]CC(=O)N(C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000932177177 820805311 /nfs/dbraw/zinc/80/53/11/820805311.db2.gz LBMZHYGOOQEPKY-SNVBAGLBSA-N 1 0 277.324 1.866 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@]1(C)CO ZINC000886286008 820806239 /nfs/dbraw/zinc/80/62/39/820806239.db2.gz YQCCFVRTKZPXGD-ZWNOBZJWSA-N 1 0 265.313 1.440 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H](CF)C2)cc1 ZINC000880298963 820814688 /nfs/dbraw/zinc/81/46/88/820814688.db2.gz MNSWBGDMWHYZML-ZWNOBZJWSA-N 1 0 268.288 1.920 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)O[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000810840519 820829841 /nfs/dbraw/zinc/82/98/41/820829841.db2.gz HIMRDYIXDAVNTL-PWSUYJOCSA-N 1 0 293.323 1.717 20 5 CDBDRO CCC[NH2+]CCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000054267501 820847596 /nfs/dbraw/zinc/84/75/96/820847596.db2.gz ASJCIXIYSZZNPU-UHFFFAOYSA-N 1 0 266.301 1.105 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[C@@H]1[NH3+] ZINC000843470816 820852499 /nfs/dbraw/zinc/85/24/99/820852499.db2.gz DKJRFQTVWWPQLT-SKDRFNHKSA-N 1 0 292.339 1.376 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CC[NH+](CC2CC2)CC1 ZINC000885961183 821315565 /nfs/dbraw/zinc/31/55/65/821315565.db2.gz UTEZADDQVPPHCJ-UHFFFAOYSA-N 1 0 276.340 1.517 20 5 CDBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cnn(C)n1 ZINC000925640769 821716442 /nfs/dbraw/zinc/71/64/42/821716442.db2.gz JEPVXYAKPRAXNB-JTQLQIEISA-N 1 0 275.312 1.617 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CCOCC23CCC3)cc1 ZINC000776591428 821735530 /nfs/dbraw/zinc/73/55/30/821735530.db2.gz PKQQQRVFGRHSNO-CQSZACIVSA-N 1 0 292.335 1.883 20 5 CDBDRO C[C@H]([NH3+])c1cn(Cc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000124342649 821752303 /nfs/dbraw/zinc/75/23/03/821752303.db2.gz FABYDFNDAXLIII-ZETCQYMHSA-N 1 0 281.703 1.908 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)c1 ZINC000883050930 821841192 /nfs/dbraw/zinc/84/11/92/821841192.db2.gz HLZNKLIOPSSIAJ-GDNZZTSVSA-N 1 0 264.329 1.960 20 5 CDBDRO C[C@@H]1CN(CCNc2ccnc(F)c2[N+](=O)[O-])[C@H](C)CO1 ZINC000882598727 821880752 /nfs/dbraw/zinc/88/07/52/821880752.db2.gz KFMIJLILNJCMIA-NXEZZACHSA-N 1 0 298.318 1.650 20 5 CDBDRO C[C@H]1CC(=O)N(CN(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000800867013 822000341 /nfs/dbraw/zinc/00/03/41/822000341.db2.gz YJYFSJHRVUQFJK-LBPRGKRZSA-N 1 0 291.351 1.895 20 5 CDBDRO C[C@H]([NH3+])CN(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000861593729 822347460 /nfs/dbraw/zinc/34/74/60/822347460.db2.gz JKDMAUQTGYJBPK-JTQLQIEISA-N 1 0 280.328 1.126 20 5 CDBDRO CC(C)[C@H]([NH2+]CC[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000930437864 822363963 /nfs/dbraw/zinc/36/39/63/822363963.db2.gz RVBQWIYISSREAI-STQMWFEESA-N 1 0 252.314 1.611 20 5 CDBDRO CC[N@@H+]1CCN(Cc2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000886087626 822382225 /nfs/dbraw/zinc/38/22/25/822382225.db2.gz XQDKZYOIGSLZTE-NSHDSACASA-N 1 0 264.329 1.516 20 5 CDBDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834905479 822435870 /nfs/dbraw/zinc/43/58/70/822435870.db2.gz WPGXTXCIZIKBHA-MRCXROJRSA-N 1 0 295.339 1.632 20 5 CDBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cc(F)ccc1[N+](=O)[O-] ZINC000843485880 822588247 /nfs/dbraw/zinc/58/82/47/822588247.db2.gz VTFZTEUOYFEHFT-NSHDSACASA-N 1 0 295.314 1.996 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CO)C[C@H]2CCCO2)c1 ZINC000886232249 822595886 /nfs/dbraw/zinc/59/58/86/822595886.db2.gz STAISZFXWOFUNR-TZMCWYRMSA-N 1 0 280.324 1.614 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1N)C1(C[NH3+])CCC1 ZINC001578390940 1167684723 /nfs/dbraw/zinc/68/47/23/1167684723.db2.gz TVPCYRWUETUVIH-UHFFFAOYSA-N 1 0 278.312 1.130 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001578625044 1167687706 /nfs/dbraw/zinc/68/77/06/1167687706.db2.gz IBTVOIJAIOTKKX-SNVBAGLBSA-N 1 0 280.328 1.880 20 5 CDBDRO COCC(COC)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218233 912302671 /nfs/dbraw/zinc/30/26/71/912302671.db2.gz PFAXSCHLVNRZDK-NSHDSACASA-N 1 0 282.340 1.777 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)CN ZINC001173211146 912332258 /nfs/dbraw/zinc/33/22/58/912332258.db2.gz PVQLTLNCPOJUBP-SNVBAGLBSA-N 1 0 251.330 1.853 20 5 CDBDRO C[N@@H+]1CC[C@H](Oc2cc(F)c([N+](=O)[O-])c(F)c2)C1 ZINC001233750816 913024107 /nfs/dbraw/zinc/02/41/07/913024107.db2.gz OJTCTRBNPDTTPX-ZETCQYMHSA-N 1 0 258.224 1.956 20 5 CDBDRO [NH3+]Cc1cnc2c(ccn2-c2c[n+]([O-])ccc2[N+](=O)[O-])c1 ZINC001167311619 895218276 /nfs/dbraw/zinc/21/82/76/895218276.db2.gz URCSDNCPQKCDKV-UHFFFAOYSA-N 1 0 285.263 1.026 20 5 CDBDRO CC(C)(CCC(=O)N[C@H]1C[NH+]2CCC1CC2)[N+](=O)[O-] ZINC001347289764 895399957 /nfs/dbraw/zinc/39/99/57/895399957.db2.gz BSLGRGQDPJDAJY-NSHDSACASA-N 1 0 269.345 1.032 20 5 CDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1=CCCC1 ZINC001125624883 897016733 /nfs/dbraw/zinc/01/67/33/897016733.db2.gz IXCYNHDGXAZPSF-UHFFFAOYSA-N 1 0 289.335 1.911 20 5 CDBDRO O=[N+]([O-])C[C@@H](OCC[NH+]1CCCC1)c1cccnc1 ZINC001206308287 914853864 /nfs/dbraw/zinc/85/38/64/914853864.db2.gz ADWKPOCKXNEIGO-CYBMUJFWSA-N 1 0 265.313 1.512 20 5 CDBDRO C[C@H]([NH3+])Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000843184703 921238100 /nfs/dbraw/zinc/23/81/00/921238100.db2.gz HXHPDSMBQKELKT-VIFPVBQESA-N 1 0 291.311 1.522 20 5 CDBDRO CC(C)(C[NH3+])CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000721256804 909433099 /nfs/dbraw/zinc/43/30/99/909433099.db2.gz XAVZCWJFSYXPQH-UHFFFAOYSA-N 1 0 265.313 1.586 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H](O)CF)CC2 ZINC001172905313 912036400 /nfs/dbraw/zinc/03/64/00/912036400.db2.gz IVGUWSZKYNDPSU-JSGCOSHPSA-N 1 0 282.315 1.762 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCO)CC2 ZINC001172899281 912037906 /nfs/dbraw/zinc/03/79/06/912037906.db2.gz WBXMGLNJRDYREH-GFCCVEGCSA-N 1 0 250.298 1.424 20 5 CDBDRO Cn1nccc1CNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001161873775 921712707 /nfs/dbraw/zinc/71/27/07/921712707.db2.gz FYPUZDGQHPMBNQ-UHFFFAOYSA-N 1 0 273.296 1.544 20 5 CDBDRO O=C(NCC1=CC[N@H+](CCC2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000672891 936537758 /nfs/dbraw/zinc/53/77/58/936537758.db2.gz AUUZECQIFFDEKH-ZIAGYGMSSA-N 1 0 293.367 1.200 20 5 CDBDRO [NH3+][C@]12C[C@H]1CN(c1cnc3ccc([N+](=O)[O-])cc3n1)C2 ZINC001165314075 925017985 /nfs/dbraw/zinc/01/79/85/925017985.db2.gz MWVDSFIMZFSYTD-SDBXPKJASA-N 1 0 271.280 1.075 20 5 CDBDRO CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001101540378 936986038 /nfs/dbraw/zinc/98/60/38/936986038.db2.gz DSQQBONTZRXCAG-CHWSQXEVSA-N 1 0 297.399 1.526 20 5 CDBDRO COc1cnc(N[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001154986335 926310145 /nfs/dbraw/zinc/31/01/45/926310145.db2.gz RJZOQIFIPCTUED-RKDXNWHRSA-N 1 0 266.301 1.680 20 5 CDBDRO CC(C)Oc1nc(NC[C@@H]2C[C@H](F)C[NH2+]2)ccc1[N+](=O)[O-] ZINC001155039395 926440829 /nfs/dbraw/zinc/44/08/29/926440829.db2.gz IBILWRDDHCNKAB-UWVGGRQHSA-N 1 0 298.318 1.889 20 5 CDBDRO COc1cnc(N(CCC[NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC001156118058 927313229 /nfs/dbraw/zinc/31/32/29/927313229.db2.gz PNWWHFKAEKLGEN-UHFFFAOYSA-N 1 0 268.317 1.562 20 5 CDBDRO CN(c1cc(Cl)ncc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001156172296 927356995 /nfs/dbraw/zinc/35/69/95/927356995.db2.gz NVLMMPDWIDOJLR-UHFFFAOYSA-N 1 0 270.720 1.831 20 5 CDBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cnccn1 ZINC001168978136 927565830 /nfs/dbraw/zinc/56/58/30/927565830.db2.gz OTGXRDPZLOWDEU-DCAQKATOSA-N 1 0 250.302 1.573 20 5 CDBDRO CC1(C)OC[C@@H](C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)O1 ZINC001168983350 927571421 /nfs/dbraw/zinc/57/14/21/927571421.db2.gz JQARXHPLEDAOKD-HBNTYKKESA-N 1 0 258.318 1.173 20 5 CDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168983747 927572109 /nfs/dbraw/zinc/57/21/09/927572109.db2.gz LDOJACHUFZAPRF-KXNHARMFSA-N 1 0 270.329 1.363 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCN2CCCCC2)C1 ZINC001168958920 927579322 /nfs/dbraw/zinc/57/93/22/927579322.db2.gz RHKOTBFKWYTQFF-QWHCGFSZSA-N 1 0 255.362 1.507 20 5 CDBDRO Cc1nc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c(C)o1 ZINC001168959041 927580502 /nfs/dbraw/zinc/58/05/02/927580502.db2.gz SQTDZOCBDJKVHU-WDEREUQCSA-N 1 0 253.302 1.826 20 5 CDBDRO COC(=O)C12CC([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)(C1)C2 ZINC001168965324 927589258 /nfs/dbraw/zinc/58/92/58/927589258.db2.gz ZSTZRUGQNRGXBF-YSARLGLZSA-N 1 0 268.313 1.117 20 5 CDBDRO O=C(CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)N1CCCC1 ZINC001168965822 927589823 /nfs/dbraw/zinc/58/98/23/927589823.db2.gz COMQPNJGMSRZJI-NEPJUHHUSA-N 1 0 269.345 1.034 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCCCO2)C1 ZINC001168968356 927592015 /nfs/dbraw/zinc/59/20/15/927592015.db2.gz XXWQKIJFQIFIEH-UPJWGTAASA-N 1 0 256.346 1.981 20 5 CDBDRO [NH3+][C@H]1CCc2nn([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)cc2C1 ZINC001168992985 927600549 /nfs/dbraw/zinc/60/05/49/927600549.db2.gz MAWKHRDUNKGEIF-ADEWGFFLSA-N 1 0 264.329 1.317 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H]2CCN(c3ncccn3)C2)C1 ZINC001168997589 927603881 /nfs/dbraw/zinc/60/38/81/927603881.db2.gz DQTIZPZAYSJKAX-RWMBFGLXSA-N 1 0 291.355 1.090 20 5 CDBDRO CCOC(=O)C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169014403 927619258 /nfs/dbraw/zinc/61/92/58/927619258.db2.gz ZJCIEGPRAHZYDW-DGCLKSJQSA-N 1 0 284.356 1.707 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CC3(C2)CCCOC3)C1 ZINC001169012986 927620177 /nfs/dbraw/zinc/62/01/77/927620177.db2.gz SROAQKDNHYCBHP-NWDGAFQWSA-N 1 0 254.330 1.544 20 5 CDBDRO CCC(=O)N1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168990630 927630366 /nfs/dbraw/zinc/63/03/66/927630366.db2.gz CVILAZBFSJPJJE-TUAOUCFPSA-N 1 0 269.345 1.032 20 5 CDBDRO CN1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169034910 927642173 /nfs/dbraw/zinc/64/21/73/927642173.db2.gz IMWALRUNSNFAET-QNWHQSFQSA-N 1 0 253.346 1.210 20 5 CDBDRO CCOC(=O)[C@H]1[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169035570 927644687 /nfs/dbraw/zinc/64/46/87/927644687.db2.gz CECHWVIVKOCXIH-OBPIAQAESA-N 1 0 282.340 1.173 20 5 CDBDRO CC(C)[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCO1 ZINC001169036993 927648107 /nfs/dbraw/zinc/64/81/07/927648107.db2.gz HUOAMXGRFNODOW-UPJWGTAASA-N 1 0 256.346 1.789 20 5 CDBDRO COCCCN1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169038467 927649898 /nfs/dbraw/zinc/64/98/98/927649898.db2.gz YXXORFKHLHJEOI-UONOGXRCSA-N 1 0 285.388 1.086 20 5 CDBDRO CN1CCC2(CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)C1=O ZINC001169045675 927656726 /nfs/dbraw/zinc/65/67/26/927656726.db2.gz JPSBNVWENDDITD-STQMWFEESA-N 1 0 295.383 1.376 20 5 CDBDRO CN1CC2(C1)CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169044638 927656780 /nfs/dbraw/zinc/65/67/80/927656780.db2.gz INCHBZCYXBWOSD-NEPJUHHUSA-N 1 0 253.346 1.069 20 5 CDBDRO Cn1cnc2c1C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169047609 927666382 /nfs/dbraw/zinc/66/63/82/927666382.db2.gz RPBWWCWUXTYCLJ-WDEREUQCSA-N 1 0 264.329 1.224 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](Oc3cnccn3)C2)C1 ZINC001169052446 927668292 /nfs/dbraw/zinc/66/82/92/927668292.db2.gz FXVPMPAWFGRZRO-FRRDWIJNSA-N 1 0 292.339 1.375 20 5 CDBDRO Cc1nc2c(o1)CCN([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169055885 927671759 /nfs/dbraw/zinc/67/17/59/927671759.db2.gz QYRUFNPYUUNCCS-QWRGUYRKSA-N 1 0 265.313 1.787 20 5 CDBDRO [NH3+][C@@H](CO)Cc1cncn1-c1cc([N+](=O)[O-])ccc1Cl ZINC001169074612 927690205 /nfs/dbraw/zinc/69/02/05/927690205.db2.gz UKMLKVHOZAGYCL-MRVPVSSYSA-N 1 0 296.714 1.296 20 5 CDBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1(O)CCCC1 ZINC000776590220 927782520 /nfs/dbraw/zinc/78/25/20/927782520.db2.gz DEZFTZDLLACYRF-CQSZACIVSA-N 1 0 294.351 1.865 20 5 CDBDRO C[NH+](C)C[C@@H](CO)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000853625599 928061407 /nfs/dbraw/zinc/06/14/07/928061407.db2.gz UIBBSAQMRSIOLD-QMMMGPOBSA-N 1 0 296.352 1.539 20 5 CDBDRO O=C1NCC2(CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)O1 ZINC000781994782 937235515 /nfs/dbraw/zinc/23/55/15/937235515.db2.gz RSZWYTIHLNLWOI-UHFFFAOYSA-N 1 0 291.307 1.669 20 5 CDBDRO COc1ccc(NCC23CC[NH+](CC2)CC3)nc1[N+](=O)[O-] ZINC001169793531 928443216 /nfs/dbraw/zinc/44/32/16/928443216.db2.gz VFCNGUMEBHXTQS-UHFFFAOYSA-N 1 0 292.339 1.896 20 5 CDBDRO Cc1nc(Cl)nc(-n2cccc2C[NH3+])c1[N+](=O)[O-] ZINC001156724143 928947901 /nfs/dbraw/zinc/94/79/01/928947901.db2.gz YPORWSTZWSIDAC-UHFFFAOYSA-N 1 0 267.676 1.596 20 5 CDBDRO CC(C)[NH2+]CCCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000698173901 937291244 /nfs/dbraw/zinc/29/12/44/937291244.db2.gz DPKMJNQAECPRLE-UHFFFAOYSA-N 1 0 283.303 1.852 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(NC[C@@H]2COCC[NH2+]2)c1F ZINC001170045497 929141501 /nfs/dbraw/zinc/14/15/01/929141501.db2.gz BJYJXANAEMLMLG-SECBINFHSA-N 1 0 269.276 1.443 20 5 CDBDRO O=[N+]([O-])c1cc2cc[nH]c2c(NC[C@H]2COCC[NH2+]2)c1 ZINC001170046181 929144318 /nfs/dbraw/zinc/14/43/18/929144318.db2.gz VWLPGQOEAUAQNM-JTQLQIEISA-N 1 0 276.296 1.476 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH2+]C[C@H]2CO)cc2ccccc21 ZINC001170789912 930036217 /nfs/dbraw/zinc/03/62/17/930036217.db2.gz ROVPZONQCVFYLQ-FZMZJTMJSA-N 1 0 287.319 1.740 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC001170856537 930454794 /nfs/dbraw/zinc/45/47/94/930454794.db2.gz CYPMJHVTFMLDHM-JTQLQIEISA-N 1 0 283.313 1.069 20 5 CDBDRO Cc1sc(C(=O)N[C@H]2C[C@@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000884352460 930534193 /nfs/dbraw/zinc/53/41/93/930534193.db2.gz IZZLZZYTZVQLON-ZJUUUORDSA-N 1 0 283.353 1.820 20 5 CDBDRO Cc1ccc(CNC(=O)[C@H]([NH3+])CC2CC2)cc1[N+](=O)[O-] ZINC000884468487 930575193 /nfs/dbraw/zinc/57/51/93/930575193.db2.gz DRYBTLKJQXQHRK-GFCCVEGCSA-N 1 0 277.324 1.647 20 5 CDBDRO CC[NH+](CC)C[C@H](C)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819058578 930752482 /nfs/dbraw/zinc/75/24/82/930752482.db2.gz MTXNFAJGNLIGFY-WFASDCNBSA-N 1 0 295.383 1.948 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1cccnc1[N+](=O)[O-] ZINC000886839723 930972956 /nfs/dbraw/zinc/97/29/56/930972956.db2.gz KZNUUPUVEPGJHH-VHSXEESVSA-N 1 0 250.302 1.172 20 5 CDBDRO O=[N+]([O-])c1ncccc1Cn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000887463324 931095615 /nfs/dbraw/zinc/09/56/15/931095615.db2.gz ZRTHBRNPIFDVSW-JTQLQIEISA-N 1 0 288.311 1.097 20 5 CDBDRO CC1(C[NH3+])CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246596870 932049290 /nfs/dbraw/zinc/04/92/90/932049290.db2.gz KONDNDMMRYNDFA-ZDUSSCGKSA-N 1 0 261.325 1.343 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2ccc(N[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)nc21 ZINC001155638464 937657718 /nfs/dbraw/zinc/65/77/18/937657718.db2.gz UQDJRAXXFXUMLP-ZDMBXUJBSA-N 1 0 289.295 1.012 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000692018827 934187859 /nfs/dbraw/zinc/18/78/59/934187859.db2.gz KGKYNYPSIIYYGX-RMKNXTFCSA-N 1 0 277.324 1.804 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@]1(O)CCCc2ccccc21 ZINC001120489985 937803151 /nfs/dbraw/zinc/80/31/51/937803151.db2.gz ZTXAYGNQWXUJPH-ZDUSSCGKSA-N 1 0 250.298 1.077 20 5 CDBDRO CC[N@@H+]1CCCC[C@H]1CNc1cc(N)c([N+](=O)[O-])cn1 ZINC001120896078 937845556 /nfs/dbraw/zinc/84/55/56/937845556.db2.gz HYTKEYFELOBYLH-JTQLQIEISA-N 1 0 279.344 1.858 20 5 CDBDRO CSc1nc(Cl)nc(N2CC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001156227918 938336237 /nfs/dbraw/zinc/33/62/37/938336237.db2.gz WVMRRXSUOCOALR-YFKPBYRVSA-N 1 0 289.748 1.298 20 5 CDBDRO Cc1ccc(-c2ccc(N3CC[C@H]([NH3+])C3)nn2)cc1[N+](=O)[O-] ZINC001156227591 938338430 /nfs/dbraw/zinc/33/84/30/938338430.db2.gz UBGOYGMZZICBRP-LBPRGKRZSA-N 1 0 299.334 1.898 20 5 CDBDRO COC(=O)C1(Nc2nccc(C)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC001156529530 938379760 /nfs/dbraw/zinc/37/97/60/938379760.db2.gz UNFPECJCJHGQMC-UHFFFAOYSA-N 1 0 294.311 1.005 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C)C2)n1 ZINC001156580250 938387803 /nfs/dbraw/zinc/38/78/03/938387803.db2.gz IYCVNOPHCFPFTB-ZETCQYMHSA-N 1 0 271.708 1.463 20 5 CDBDRO [NH3+]Cc1cccn1-c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001156723743 938411058 /nfs/dbraw/zinc/41/10/58/938411058.db2.gz FAHHGJLAXNBGRA-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(-n2ccc(C[NH3+])cc2=N)nc1Cl ZINC001156849812 938425513 /nfs/dbraw/zinc/42/55/13/938425513.db2.gz FDWCNIOWHCLLBW-UHFFFAOYSA-N 1 0 293.714 1.680 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@@H]([N@@H+](C)C(C)C)C1 ZINC001157021583 938446384 /nfs/dbraw/zinc/44/63/84/938446384.db2.gz ORUZYSTZCNRKHV-GFCCVEGCSA-N 1 0 294.355 1.456 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(c3nc(Cl)ncc3[N+](=O)[O-])C[C@H]21 ZINC001157260583 938471302 /nfs/dbraw/zinc/47/13/02/938471302.db2.gz LETKSEGTNQGORK-PSASIEDQSA-N 1 0 297.746 1.569 20 5 CDBDRO Cc1nc(N2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001157283240 938474808 /nfs/dbraw/zinc/47/48/08/938474808.db2.gz TVSDMFGHMOOIET-CMPLNLGQSA-N 1 0 277.328 1.224 20 5 CDBDRO CCC[N@H+]1C[C@H]2CN(c3cccc([N+](=O)[O-])n3)C[C@H]2C1 ZINC001157692937 938533300 /nfs/dbraw/zinc/53/33/00/938533300.db2.gz ZQNPKVWNMXMFGP-TXEJJXNPSA-N 1 0 276.340 1.768 20 5 CDBDRO [NH3+][C@@H]1CCc2nn(-c3nccc(Cl)c3[N+](=O)[O-])cc2C1 ZINC001157980435 938571210 /nfs/dbraw/zinc/57/12/10/938571210.db2.gz VVKSBCCVMGRJPC-MRVPVSSYSA-N 1 0 293.714 1.645 20 5 CDBDRO CC(C)N(c1ccc([N+](=O)[O-])c(N)n1)[C@H]1CC[NH2+]C1 ZINC001158025140 938576203 /nfs/dbraw/zinc/57/62/03/938576203.db2.gz FOSCDFYPUOPNMI-VIFPVBQESA-N 1 0 265.317 1.149 20 5 CDBDRO Cc1cc(Cl)nc(-n2cc(CC[NH3+])cn2)c1[N+](=O)[O-] ZINC001158099770 938582992 /nfs/dbraw/zinc/58/29/92/938582992.db2.gz VJLYMNSYRWCLHP-UHFFFAOYSA-N 1 0 281.703 1.639 20 5 CDBDRO COc1cc(C)nc(N2CCC3(C[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC001159041891 938695255 /nfs/dbraw/zinc/69/52/55/938695255.db2.gz HQVRJYBZWMXKTG-UHFFFAOYSA-N 1 0 292.339 1.497 20 5 CDBDRO COc1cnc(NC[C@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001160147863 938771267 /nfs/dbraw/zinc/77/12/67/938771267.db2.gz LGCKMWOZOBVAJX-SECBINFHSA-N 1 0 266.301 1.552 20 5 CDBDRO CCOc1nc(Nc2ccc(C[NH3+])nc2)ccc1[N+](=O)[O-] ZINC001160402346 938784287 /nfs/dbraw/zinc/78/42/87/938784287.db2.gz PVNQNZFLVIJBJE-UHFFFAOYSA-N 1 0 289.295 1.986 20 5 CDBDRO Nc1cc(-n2ccc3cccc(C[NH3+])c32)ncc1[N+](=O)[O-] ZINC001160456975 938788636 /nfs/dbraw/zinc/78/86/36/938788636.db2.gz VMGXAGSAXBHYPN-UHFFFAOYSA-N 1 0 283.291 1.975 20 5 CDBDRO Cn1ccnc1CNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001161915434 938942678 /nfs/dbraw/zinc/94/26/78/938942678.db2.gz YNHMHCWXWRAASY-UHFFFAOYSA-N 1 0 273.296 1.544 20 5 CDBDRO Cc1cccc(N[C@@H](C)CN2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001162092452 938955460 /nfs/dbraw/zinc/95/54/60/938955460.db2.gz FZHRUIDXEJUQNZ-LBPRGKRZSA-N 1 0 278.356 1.609 20 5 CDBDRO COc1nc(NC[C@H]2C[NH2+][C@H](C)C2)nc(C)c1[N+](=O)[O-] ZINC001162555101 939086958 /nfs/dbraw/zinc/08/69/58/939086958.db2.gz MKWXTNLNAWTHAX-VXNVDRBHSA-N 1 0 281.316 1.112 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)n1 ZINC001162790053 939140126 /nfs/dbraw/zinc/14/01/26/939140126.db2.gz QCLKIHDZSKDNIP-DJLDLDEBSA-N 1 0 295.730 1.533 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163261682 939235300 /nfs/dbraw/zinc/23/53/00/939235300.db2.gz JGTKDRDPTNOPQJ-MIMYLULJSA-N 1 0 277.328 1.441 20 5 CDBDRO Cc1cnc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC001163267182 939235605 /nfs/dbraw/zinc/23/56/05/939235605.db2.gz LEDNJWLBVOUWDW-VWYCJHECSA-N 1 0 262.313 1.708 20 5 CDBDRO Cc1cnc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC001163321171 939246207 /nfs/dbraw/zinc/24/62/07/939246207.db2.gz BGXWTLAFYZURER-RISCZKNCSA-N 1 0 292.339 1.621 20 5 CDBDRO Cc1nnc(C[NH3+])n1-c1nc(Cl)cc(C)c1[N+](=O)[O-] ZINC001163346398 939253275 /nfs/dbraw/zinc/25/32/75/939253275.db2.gz OYDDFWYNJMZVKG-UHFFFAOYSA-N 1 0 282.691 1.299 20 5 CDBDRO Cc1ccc2c(ccnc2N(CC[NH3+])CCO)c1[N+](=O)[O-] ZINC001163827695 939338814 /nfs/dbraw/zinc/33/88/14/939338814.db2.gz JYRWGJLQNDSAHX-UHFFFAOYSA-N 1 0 290.323 1.209 20 5 CDBDRO CCOc1nc(N2C[C@@H](C[NH3+])CC[C@H]2C)ccc1[N+](=O)[O-] ZINC001164467890 939476378 /nfs/dbraw/zinc/47/63/78/939476378.db2.gz OBRCJBSQIGZTGW-GHMZBOCLSA-N 1 0 294.355 1.952 20 5 CDBDRO C[NH+]1C[C@H]2CN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)C[C@@H]2C1 ZINC001165146795 939518156 /nfs/dbraw/zinc/51/81/56/939518156.db2.gz BRLLRYLYEBAKJR-UWVGGRQHSA-N 1 0 287.323 1.469 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CCC[C@@H]4[NH2+]C[C@@H]43)nc21 ZINC001165391110 939557006 /nfs/dbraw/zinc/55/70/06/939557006.db2.gz GLFSBFJOTYOVLR-WPRPVWTQSA-N 1 0 273.296 1.412 20 5 CDBDRO [NH3+]CCc1nccn1-c1cc([N+](=O)[O-])ccc1Cl ZINC001166352057 939605247 /nfs/dbraw/zinc/60/52/47/939605247.db2.gz YYIQVUOQESTAGL-UHFFFAOYSA-N 1 0 266.688 1.935 20 5 CDBDRO COC(=O)C1(Nc2cccc(C)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC001166947247 939656729 /nfs/dbraw/zinc/65/67/29/939656729.db2.gz HQZRHJXPUGYCON-UHFFFAOYSA-N 1 0 293.323 1.610 20 5 CDBDRO COc1ccccc1C(=O)CO[C@H](C)C[N+](C)(C)C ZINC001204739236 939786874 /nfs/dbraw/zinc/78/68/74/939786874.db2.gz VUSKHGFJJDPFFG-GFCCVEGCSA-N 1 0 266.361 1.989 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@@H]1C[NH2+]C[C@@H]1F ZINC001217998518 941034285 /nfs/dbraw/zinc/03/42/85/941034285.db2.gz ULJXBLIKIKBLLQ-WDEREUQCSA-N 1 0 254.261 1.900 20 5 CDBDRO Nc1ccc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC001218147082 941041436 /nfs/dbraw/zinc/04/14/36/941041436.db2.gz JTZBVHCRMGWQTL-OLUVUFQESA-N 1 0 277.324 1.944 20 5 CDBDRO COc1ccnc(CO[C@@H](C)C[N+](C)(C)C)c1OC ZINC001223098706 941657792 /nfs/dbraw/zinc/65/77/92/941657792.db2.gz AAWVNMZIJCXACU-NSHDSACASA-N 1 0 269.365 1.710 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCc1nccc2c1OCO2 ZINC001223755886 941695662 /nfs/dbraw/zinc/69/56/62/941695662.db2.gz LCPDNMRHSGDFMO-SNVBAGLBSA-N 1 0 253.322 1.422 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1coc2ccccc12 ZINC001224140455 941724760 /nfs/dbraw/zinc/72/47/60/941724760.db2.gz LXCGGGQGBJLQEP-CYBMUJFWSA-N 1 0 292.355 1.933 20 5 CDBDRO Cc1cc(O[C@H]2CCc3nccn3C2)ncc1[N+](=O)[O-] ZINC001225658675 941894898 /nfs/dbraw/zinc/89/48/98/941894898.db2.gz JMQDCSANYWJAHZ-JTQLQIEISA-N 1 0 274.280 1.889 20 5 CDBDRO CC(=O)c1cc(F)ccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225831862 941919028 /nfs/dbraw/zinc/91/90/28/941919028.db2.gz DKMNSQKMXVCXJB-GFCCVEGCSA-N 1 0 298.334 1.391 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(O[C@H](C)C[NH+](C)C)c1 ZINC001226444406 942006220 /nfs/dbraw/zinc/00/62/20/942006220.db2.gz ACSCPJDTNSQMQL-SECBINFHSA-N 1 0 254.286 1.932 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ncc([N+](=O)[O-])cn2)C1 ZINC001226732891 942060435 /nfs/dbraw/zinc/06/04/35/942060435.db2.gz AZBGLKIUFYHBBK-LLVKDONJSA-N 1 0 266.301 1.636 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227462273 942179154 /nfs/dbraw/zinc/17/91/54/942179154.db2.gz CFQMZMVTFNEBCF-SECBINFHSA-N 1 0 267.241 1.586 20 5 CDBDRO Cc1cc(F)cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001227849168 942237415 /nfs/dbraw/zinc/23/74/15/942237415.db2.gz XMQLDYAGGFDKTC-GFCCVEGCSA-N 1 0 270.324 1.497 20 5 CDBDRO CSc1nc(O[C@@H](C)C[N+](C)(C)C)cc(=O)[nH]1 ZINC001228095443 942269087 /nfs/dbraw/zinc/26/90/87/942269087.db2.gz SZEXOLVDDOMTBO-QMMMGPOBSA-O 1 0 258.367 1.378 20 5 CDBDRO Cc1[nH]c(=O)cc(OC2CC[NH+](CCF)CC2)c1[N+](=O)[O-] ZINC001228685425 942357586 /nfs/dbraw/zinc/35/75/86/942357586.db2.gz HRMJPEAQBIQYCW-UHFFFAOYSA-N 1 0 299.302 1.817 20 5 CDBDRO COC(=O)c1ccc(O)c(O[C@H](C)C[N+](C)(C)C)c1C ZINC001230254936 942596141 /nfs/dbraw/zinc/59/61/41/942596141.db2.gz DKWDSPZUUVEDSC-SNVBAGLBSA-O 1 0 282.360 1.961 20 5 CDBDRO CNC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001233982612 943707409 /nfs/dbraw/zinc/70/74/09/943707409.db2.gz MPOZEVHIMXRBBZ-LLVKDONJSA-O 1 0 251.350 1.520 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000722179946 943968600 /nfs/dbraw/zinc/96/86/00/943968600.db2.gz QVNNTKQOAOZSGC-MRVPVSSYSA-N 1 0 285.731 1.976 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(F)COC1 ZINC001254538346 947515799 /nfs/dbraw/zinc/51/57/99/947515799.db2.gz SLGODAPAIPOJAZ-SNVBAGLBSA-N 1 0 268.288 1.854 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1nncc1C[NH3+] ZINC001254539699 947517315 /nfs/dbraw/zinc/51/73/15/947517315.db2.gz JTENJSWACMJQBV-SECBINFHSA-N 1 0 261.285 1.449 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)CF ZINC001254546988 947517398 /nfs/dbraw/zinc/51/73/98/947517398.db2.gz BHJJNWSPTDOCFJ-KOLCDFICSA-N 1 0 256.277 1.446 20 5 CDBDRO O=C1CC(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254574096 947533810 /nfs/dbraw/zinc/53/38/10/947533810.db2.gz FWUCBDUMXXUSLB-LBPRGKRZSA-N 1 0 260.293 1.631 20 5 CDBDRO O=c1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c[nH]1 ZINC001254575880 947534979 /nfs/dbraw/zinc/53/49/79/947534979.db2.gz UMJWGZVLJSRWGL-CYBMUJFWSA-N 1 0 285.303 1.952 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H](CO)c1ccccn1)C2 ZINC001254580934 947537114 /nfs/dbraw/zinc/53/71/14/947537114.db2.gz IEXMHLCYFXRDOM-XJKSGUPXSA-N 1 0 299.330 1.780 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1COC[C@@H]1F)C2 ZINC001254589411 947543339 /nfs/dbraw/zinc/54/33/39/947543339.db2.gz OFHBAJMEHSEOGC-DRZSPHRISA-N 1 0 266.272 1.389 20 5 CDBDRO COCC[NH+](CCOC)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598496 947547140 /nfs/dbraw/zinc/54/71/40/947547140.db2.gz KCXKGECJUFKDPO-OAHLLOKOSA-N 1 0 294.351 1.657 20 5 CDBDRO COC(=O)[C@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254593251 947547527 /nfs/dbraw/zinc/54/75/27/947547527.db2.gz KKOZJLYTCZOQRC-SMDDNHRTSA-N 1 0 290.319 1.557 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CNCCC1=O ZINC001246295642 948087513 /nfs/dbraw/zinc/08/75/13/948087513.db2.gz URCCWINXHHNVQC-MFKMUULPSA-N 1 0 277.324 1.046 20 5 CDBDRO COc1ccc(C[C@H](C)N2CC[C@@](C)([NH3+])C2)c([N+](=O)[O-])c1 ZINC001246532171 948232022 /nfs/dbraw/zinc/23/20/22/948232022.db2.gz UWXVULKMBCTXOU-XHDPSFHLSA-N 1 0 293.367 1.958 20 5 CDBDRO N[C@]1(C(F)(F)F)CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246565439 948283153 /nfs/dbraw/zinc/28/31/53/948283153.db2.gz CANLKEXNCRGTHQ-IVZWLZJFSA-N 1 0 281.278 1.397 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1Nc1cnn(CC[NH+](C)C)c1 ZINC001248746635 949123225 /nfs/dbraw/zinc/12/32/25/949123225.db2.gz MWADMCYYAKGLLS-UHFFFAOYSA-N 1 0 290.327 1.800 20 5 CDBDRO CC[NH2+]CCCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327484639 954899231 /nfs/dbraw/zinc/89/92/31/954899231.db2.gz ABQPSDZUUPEPPH-UHFFFAOYSA-N 1 0 292.339 1.620 20 5 CDBDRO C[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+](C)C ZINC001330247828 956345568 /nfs/dbraw/zinc/34/55/68/956345568.db2.gz DYECCNSRXIFKFH-SNVBAGLBSA-N 1 0 277.324 1.430 20 5 CDBDRO CC[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC001307701973 956432145 /nfs/dbraw/zinc/43/21/45/956432145.db2.gz FZTXDPCUULUDKW-NWDGAFQWSA-N 1 0 279.340 1.877 20 5 CDBDRO Cc1ccc(C[N@@H+]2CCCN(CC[N+](=O)[O-])CC2)cc1 ZINC001333044554 958037971 /nfs/dbraw/zinc/03/79/71/958037971.db2.gz WHUJGGFIIOGKJM-UHFFFAOYSA-N 1 0 277.368 1.779 20 5 CDBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC001318415424 958093536 /nfs/dbraw/zinc/09/35/36/958093536.db2.gz VEHUOGYBPVHMQL-ZJUUUORDSA-N 1 0 281.312 1.790 20 5 CDBDRO Nc1nc(SCC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001334276316 958992871 /nfs/dbraw/zinc/99/28/71/958992871.db2.gz GSCJNHDXYKQAHZ-UHFFFAOYSA-N 1 0 269.330 1.155 20 5 CDBDRO CCC[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)CC[NH2+]1 ZINC001334284693 958998348 /nfs/dbraw/zinc/99/83/48/958998348.db2.gz HFSHNMWAMQZVAW-SNVBAGLBSA-N 1 0 265.317 1.272 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCc1coc(-c2ccccc2)n1 ZINC001334764541 959339231 /nfs/dbraw/zinc/33/92/31/959339231.db2.gz PSJJETTWBNLGIN-UHFFFAOYSA-N 1 0 261.281 1.750 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001335552355 959886120 /nfs/dbraw/zinc/88/61/20/959886120.db2.gz WMNXRKMJUIMARW-GHMZBOCLSA-N 1 0 294.355 1.953 20 5 CDBDRO C[C@@H](NC(=O)N[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001336125399 960214712 /nfs/dbraw/zinc/21/47/12/960214712.db2.gz RJHRNBFBBZXALH-PWSUYJOCSA-N 1 0 292.339 1.707 20 5 CDBDRO C[NH+](C)C[C@@H](O)CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001337275581 961077172 /nfs/dbraw/zinc/07/71/72/961077172.db2.gz PEKSYZWSLCRYMP-JTQLQIEISA-N 1 0 290.323 1.477 20 5 CDBDRO Nc1cc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ncc1[N+](=O)[O-] ZINC001337804188 961432864 /nfs/dbraw/zinc/43/28/64/961432864.db2.gz AKBYXOITGNCIRL-MNOVXSKESA-N 1 0 277.328 1.611 20 5 CDBDRO CC(C)[C@@H](CN(C)C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001338549265 961872583 /nfs/dbraw/zinc/87/25/83/961872583.db2.gz FXBBQTNGUJLAFM-CABCVRRESA-N 1 0 295.383 1.804 20 5 CDBDRO O=C(N[C@H]1C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC001339141588 962196628 /nfs/dbraw/zinc/19/66/28/962196628.db2.gz MGIHEBJCBUGLCQ-ZDUSSCGKSA-N 1 0 293.298 1.558 20 5 CDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc(N)c([N+](=O)[O-])n1 ZINC001339608468 962449358 /nfs/dbraw/zinc/44/93/58/962449358.db2.gz BWDXMRJTZWIUBM-GZMMTYOYSA-N 1 0 277.328 1.467 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]([NH3+])C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001340990386 963223391 /nfs/dbraw/zinc/22/33/91/963223391.db2.gz KFTDVWGEBJCZMZ-RNCFNFMXSA-N 1 0 277.324 1.899 20 5 CDBDRO O=C(NC[C@@H]1CCCCC[NH2+]1)c1csc([N+](=O)[O-])c1 ZINC001342206225 963672833 /nfs/dbraw/zinc/67/28/33/963672833.db2.gz PVPDMHODRVIERS-JTQLQIEISA-N 1 0 283.353 1.918 20 5 CDBDRO C[C@H](NC(=O)C[C@H]1COCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001342519881 963757335 /nfs/dbraw/zinc/75/73/35/963757335.db2.gz VUFRAOKHICFTDG-JQWIXIFHSA-N 1 0 293.323 1.151 20 5 CDBDRO C[C@H](NC(=O)C1([NH3+])CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001344789267 964428892 /nfs/dbraw/zinc/42/88/92/964428892.db2.gz DWBGOUILKBYVFB-VIFPVBQESA-N 1 0 263.297 1.653 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC001349140038 966274335 /nfs/dbraw/zinc/27/43/35/966274335.db2.gz ZBEJWEUFAXPQIO-SECBINFHSA-N 1 0 278.312 1.070 20 5 CDBDRO Cc1nc(N2CC[C@H]([NH+](C)C)[C@@H]2C)ncc1[N+](=O)[O-] ZINC001350488929 966679737 /nfs/dbraw/zinc/67/97/37/966679737.db2.gz ZONMEDQNQLTQHR-UWVGGRQHSA-N 1 0 265.317 1.222 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001353625812 968111529 /nfs/dbraw/zinc/11/15/29/968111529.db2.gz AKAQTOVKKJOXBW-CYBMUJFWSA-N 1 0 275.308 1.531 20 5 CDBDRO C[C@H](NC(=O)[C@H]1CC[NH2+][C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001358144249 969701876 /nfs/dbraw/zinc/70/18/76/969701876.db2.gz ZWEPHQWLDZINGI-CWSCBRNRSA-N 1 0 277.324 1.770 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001515669744 969911305 /nfs/dbraw/zinc/91/13/05/969911305.db2.gz LNVIZVHWXJJMKR-NSHDSACASA-N 1 0 292.339 1.418 20 5 CDBDRO Cc1ccc(NC(=O)[C@H]2C[C@@H](F)C[NH2+]2)c(N)c1[N+](=O)[O-] ZINC001574156770 1170900142 /nfs/dbraw/zinc/90/01/42/1170900142.db2.gz QQFLJJLRKTZADA-VXNVDRBHSA-N 1 0 282.275 1.124 20 5 CDBDRO CC(C)(C[NH3+])CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001575315352 1171151133 /nfs/dbraw/zinc/15/11/33/1171151133.db2.gz OLXBLWKRAAMHPD-UHFFFAOYSA-N 1 0 277.328 1.546 20 5 CDBDRO CCOc1cc(NC(=O)NCC[NH3+])ccc1[N+](=O)[O-] ZINC001578170472 1171825882 /nfs/dbraw/zinc/82/58/82/1171825882.db2.gz GXAIFHIBFVSSIB-UHFFFAOYSA-N 1 0 268.273 1.074 20 5 CDBDRO CN(CCN1CC[NH2+]CC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001578471795 1171927116 /nfs/dbraw/zinc/92/71/16/1171927116.db2.gz MTCXXCFGBHLTMX-UHFFFAOYSA-N 1 0 296.346 1.071 20 5 CDBDRO C[N@H+](CCNC(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000601015875 342458188 /nfs/dbraw/zinc/45/81/88/342458188.db2.gz PDFCSBZPIIUIRQ-UHFFFAOYSA-N 1 0 281.287 1.558 20 5 CDBDRO CN(CCC[NH+](C)C)c1ncc(F)cc1[N+](=O)[O-] ZINC000601137297 342477415 /nfs/dbraw/zinc/47/74/15/342477415.db2.gz ALOMRXPICOLGHC-UHFFFAOYSA-N 1 0 256.281 1.517 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000320229341 341993191 /nfs/dbraw/zinc/99/31/91/341993191.db2.gz MAUPJWLLDDGYDG-NXEZZACHSA-N 1 0 265.313 1.379 20 5 CDBDRO Cc1cnc(N2CC[C@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000589879178 342516104 /nfs/dbraw/zinc/51/61/04/342516104.db2.gz DMEVRYDVVKWKKX-AWEZNQCLSA-N 1 0 276.340 1.830 20 5 CDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@H](C)[N@H+]1C ZINC000590146300 342522908 /nfs/dbraw/zinc/52/29/08/342522908.db2.gz SLWNKVKYBWXFPN-AOOOYVTPSA-N 1 0 250.302 1.519 20 5 CDBDRO Cc1cc(C(=O)N[C@H](C)C[C@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000320642208 341993899 /nfs/dbraw/zinc/99/38/99/341993899.db2.gz DUWHQCPTSSOBGR-VHSXEESVSA-N 1 0 265.313 1.759 20 5 CDBDRO COc1cc(NCC[N@@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000599198967 343979263 /nfs/dbraw/zinc/97/92/63/343979263.db2.gz CXXYEKBTGYBSTF-NSHDSACASA-N 1 0 281.312 1.082 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1COCC[C@H]1O ZINC000601306623 342551223 /nfs/dbraw/zinc/55/12/23/342551223.db2.gz NICJSRQRMJNBCR-YRGRVCCFSA-N 1 0 278.308 1.322 20 5 CDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COCC[C@H]1O ZINC000601306836 342551306 /nfs/dbraw/zinc/55/13/06/342551306.db2.gz SPUWAFFRFMSLDX-UXIGCNINSA-N 1 0 294.351 1.655 20 5 CDBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC000111238138 365538583 /nfs/dbraw/zinc/53/85/83/365538583.db2.gz SBWPVFNPHKKLTK-UHFFFAOYSA-N 1 0 283.715 1.684 20 5 CDBDRO [NH3+]CC[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000070171215 361741016 /nfs/dbraw/zinc/74/10/16/361741016.db2.gz VBAWEMLNZLCUTG-JTQLQIEISA-N 1 0 250.302 1.555 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000262633989 361742270 /nfs/dbraw/zinc/74/22/70/361742270.db2.gz LXKJGYFIHVHGSB-NXEZZACHSA-N 1 0 275.308 1.611 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000237388237 342059513 /nfs/dbraw/zinc/05/95/13/342059513.db2.gz CMTJQEQZLUTRFK-DGCLKSJQSA-N 1 0 291.351 1.866 20 5 CDBDRO CN(c1ncnc2ccc([N+](=O)[O-])cc21)C1CC[NH2+]CC1 ZINC000591425977 342630859 /nfs/dbraw/zinc/63/08/59/342630859.db2.gz VIFGFTDVCMBTNR-UHFFFAOYSA-N 1 0 287.323 1.726 20 5 CDBDRO Cc1nc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000591435209 342631573 /nfs/dbraw/zinc/63/15/73/342631573.db2.gz ZWKQRTXTEMUSHT-AXFHLTTASA-N 1 0 277.328 1.257 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[NH3+] ZINC000591270365 342623692 /nfs/dbraw/zinc/62/36/92/342623692.db2.gz ATVGFCGEWVPRKM-ZETCQYMHSA-N 1 0 268.273 1.072 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC3(CC[NH2+]C3)CC2)nc1 ZINC000591442269 342632364 /nfs/dbraw/zinc/63/23/64/342632364.db2.gz MJPZOQYOMCCAMD-UHFFFAOYSA-N 1 0 262.313 1.570 20 5 CDBDRO O=[N+]([O-])c1cc2cnn(CC3C[NH2+]C3)c2c(Cl)c1 ZINC000592162524 342671177 /nfs/dbraw/zinc/67/11/77/342671177.db2.gz ASYWHGZJDAASTO-UHFFFAOYSA-N 1 0 266.688 1.817 20 5 CDBDRO CCN1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1=O ZINC000593684851 342822259 /nfs/dbraw/zinc/82/22/59/342822259.db2.gz BOGIGBQXXRDPGM-JTQLQIEISA-N 1 0 295.314 1.692 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCCC1CC[NH2+]CC1 ZINC000593918101 342851150 /nfs/dbraw/zinc/85/11/50/342851150.db2.gz AOIXOXMTWKSCQR-UHFFFAOYSA-N 1 0 291.351 1.643 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000593902915 342853918 /nfs/dbraw/zinc/85/39/18/342853918.db2.gz IASGZTMCXNNDBN-JTQLQIEISA-N 1 0 263.297 1.923 20 5 CDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]CC1 ZINC000593903781 342854146 /nfs/dbraw/zinc/85/41/46/342854146.db2.gz NMKWOKVQKUDPSW-CYBMUJFWSA-N 1 0 291.351 1.643 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594601291 342923668 /nfs/dbraw/zinc/92/36/68/342923668.db2.gz NICQIZYANLEYHZ-QWRGUYRKSA-N 1 0 279.344 1.757 20 5 CDBDRO C[N@H+](CC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000600816219 342250842 /nfs/dbraw/zinc/25/08/42/342250842.db2.gz GHSFLLKQLDKZFO-UHFFFAOYSA-N 1 0 291.351 1.738 20 5 CDBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000092956603 342270329 /nfs/dbraw/zinc/27/03/29/342270329.db2.gz QOVASLVQOBGQMH-SKDRFNHKSA-N 1 0 263.297 1.209 20 5 CDBDRO [NH3+][C@H]1CCCCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000600958796 342271012 /nfs/dbraw/zinc/27/10/12/342271012.db2.gz LFMJLOBLHQNYFD-JTQLQIEISA-N 1 0 250.302 1.698 20 5 CDBDRO [NH3+]CCc1cn(Cc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000158226887 342279262 /nfs/dbraw/zinc/27/92/62/342279262.db2.gz ZCGHRPHJPHGFRS-UHFFFAOYSA-N 1 0 281.703 1.389 20 5 CDBDRO Cn1ncc(C2CC2)c1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000594931814 342975235 /nfs/dbraw/zinc/97/52/35/342975235.db2.gz RPUMXBQKYOOWOD-UHFFFAOYSA-N 1 0 290.327 1.192 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)CC(N)=O ZINC000595021571 342996371 /nfs/dbraw/zinc/99/63/71/342996371.db2.gz PRNLUOICUOFMFS-IUCAKERBSA-N 1 0 281.312 1.518 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595233269 343016669 /nfs/dbraw/zinc/01/66/69/343016669.db2.gz KDYDVNZPMUKVCY-UHFFFAOYSA-N 1 0 266.301 1.796 20 5 CDBDRO O=C1CCCN1CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000405288640 349782042 /nfs/dbraw/zinc/78/20/42/349782042.db2.gz HYMNZZAPKLDBON-UHFFFAOYSA-N 1 0 269.326 1.368 20 5 CDBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075716506 342312506 /nfs/dbraw/zinc/31/25/06/342312506.db2.gz MANFAGLJZYOULL-STQMWFEESA-N 1 0 296.371 1.663 20 5 CDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CNC(=O)C1 ZINC000595477970 343064819 /nfs/dbraw/zinc/06/48/19/343064819.db2.gz WWAREIZPLBCTGL-GFCCVEGCSA-N 1 0 277.324 1.205 20 5 CDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595456125 343068091 /nfs/dbraw/zinc/06/80/91/343068091.db2.gz WDKMJYHMXNIHKU-VXGBXAGGSA-N 1 0 295.314 1.738 20 5 CDBDRO Cc1cccc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1[N+](=O)[O-] ZINC000262827288 362017872 /nfs/dbraw/zinc/01/78/72/362017872.db2.gz PZHZSOLWZNVETA-PWSUYJOCSA-N 1 0 277.324 1.631 20 5 CDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595513550 343082724 /nfs/dbraw/zinc/08/27/24/343082724.db2.gz VRLRZPUVGUGZNB-VXGBXAGGSA-N 1 0 268.288 1.983 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCOCCO)C2CCC2)cc1 ZINC000595599027 343115295 /nfs/dbraw/zinc/11/52/95/343115295.db2.gz JVKGJQVMUYEBAC-UHFFFAOYSA-N 1 0 294.351 1.958 20 5 CDBDRO COC(=O)c1cc(NC(=O)[C@H]2C[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000595928710 343184089 /nfs/dbraw/zinc/18/40/89/343184089.db2.gz FDKLKUBIKWDNSX-XWEPSHTISA-N 1 0 293.279 1.057 20 5 CDBDRO [NH3+]C1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCCC1 ZINC000595941527 343203977 /nfs/dbraw/zinc/20/39/77/343203977.db2.gz RJEUINNEUMNYRG-UHFFFAOYSA-N 1 0 281.287 1.735 20 5 CDBDRO CCCc1n[nH]c(C(=O)N(C)CC(C)(C)[NH3+])c1[N+](=O)[O-] ZINC000595943982 343204312 /nfs/dbraw/zinc/20/43/12/343204312.db2.gz JLKDGSRNKLEXCV-UHFFFAOYSA-N 1 0 283.332 1.080 20 5 CDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC(C)(C)[NH3+] ZINC000595902582 343187724 /nfs/dbraw/zinc/18/77/24/343187724.db2.gz SOZACWMKVVGRRW-SNVBAGLBSA-N 1 0 294.355 1.591 20 5 CDBDRO C[NH2+]C[C@@H](C)N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000596107158 343228877 /nfs/dbraw/zinc/22/88/77/343228877.db2.gz SBBKRTUUHLWEGW-WDEREUQCSA-N 1 0 294.355 1.509 20 5 CDBDRO C[N@H+](CCNc1cc[nH]c(=O)c1[N+](=O)[O-])C1CCCC1 ZINC000596112561 343230409 /nfs/dbraw/zinc/23/04/09/343230409.db2.gz AKFLZUMHOPEUQM-UHFFFAOYSA-N 1 0 280.328 1.982 20 5 CDBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1CC1 ZINC000596115272 343231294 /nfs/dbraw/zinc/23/12/94/343231294.db2.gz SVJYAPPOBLKWTP-ZDUSSCGKSA-N 1 0 292.339 1.446 20 5 CDBDRO C[NH+]1CCC(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596063132 343223769 /nfs/dbraw/zinc/22/37/69/343223769.db2.gz YGGZHAMWKXSQJV-UHFFFAOYSA-N 1 0 252.274 1.202 20 5 CDBDRO CCOc1cc(N2CC(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000596247459 343286518 /nfs/dbraw/zinc/28/65/18/343286518.db2.gz OYDPTZDMEGSDTG-UHFFFAOYSA-N 1 0 279.340 1.991 20 5 CDBDRO Cc1cc(N[C@H]2C[C@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596556983 343342528 /nfs/dbraw/zinc/34/25/28/343342528.db2.gz ZDXQVRCUVGGJPG-HOMQSWHASA-N 1 0 273.292 1.809 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000144410767 342435340 /nfs/dbraw/zinc/43/53/40/342435340.db2.gz UZVUQRVLMMAPOD-SNVBAGLBSA-N 1 0 290.323 1.265 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000144410971 342435473 /nfs/dbraw/zinc/43/54/73/342435473.db2.gz UZVUQRVLMMAPOD-JTQLQIEISA-N 1 0 290.323 1.265 20 5 CDBDRO C[NH+]1CCC(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000214152071 342439152 /nfs/dbraw/zinc/43/91/52/342439152.db2.gz DSXOAUWLUWNYKL-DAXSKMNVSA-N 1 0 289.335 1.818 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000130332185 346941466 /nfs/dbraw/zinc/94/14/66/346941466.db2.gz NQEWLECQDZDATE-VIFPVBQESA-N 1 0 268.317 1.181 20 5 CDBDRO C[NH+](C)CC1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000597707303 343605657 /nfs/dbraw/zinc/60/56/57/343605657.db2.gz CXEHACHRSUKECE-UHFFFAOYSA-N 1 0 277.324 1.157 20 5 CDBDRO CCC(CC)(C[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000111831381 365797236 /nfs/dbraw/zinc/79/72/36/365797236.db2.gz CENDBBCHHNGZQF-UHFFFAOYSA-N 1 0 279.340 1.771 20 5 CDBDRO C[C@@H](CCNC(=O)COc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000597996566 343684906 /nfs/dbraw/zinc/68/49/06/343684906.db2.gz JEWASQDKZNYACX-NSHDSACASA-N 1 0 295.339 1.430 20 5 CDBDRO CCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000598342078 343770999 /nfs/dbraw/zinc/77/09/99/343770999.db2.gz DHFGAQUSGBGRMM-ZDUSSCGKSA-N 1 0 291.351 1.738 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598916312 343919973 /nfs/dbraw/zinc/91/99/73/343919973.db2.gz XRYRCAWHIDVVQQ-ZETCQYMHSA-N 1 0 270.264 1.593 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC(F)(F)CC2)c1 ZINC000599552173 344080471 /nfs/dbraw/zinc/08/04/71/344080471.db2.gz WJFSTNRDXHRRBL-UHFFFAOYSA-N 1 0 274.271 1.913 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601567593 344192971 /nfs/dbraw/zinc/19/29/71/344192971.db2.gz ZUQDGRDTMBDCHH-QWRGUYRKSA-N 1 0 290.323 1.790 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601566447 344193039 /nfs/dbraw/zinc/19/30/39/344193039.db2.gz NFXZDVAGCHKPJA-JQWIXIFHSA-N 1 0 290.323 1.735 20 5 CDBDRO Cc1c(C(=O)N2C[C@H]([NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000602601159 344505318 /nfs/dbraw/zinc/50/53/18/344505318.db2.gz YUDLVCBKMXHERU-WCBMZHEXSA-N 1 0 263.297 1.465 20 5 CDBDRO O=C1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CCCN1 ZINC000602558933 344467954 /nfs/dbraw/zinc/46/79/54/344467954.db2.gz QHHVSNLDBQRIRJ-GFCCVEGCSA-N 1 0 277.324 1.396 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602589146 344479221 /nfs/dbraw/zinc/47/92/21/344479221.db2.gz CWBRLOMXBJYOHP-TXEJJXNPSA-N 1 0 275.308 1.100 20 5 CDBDRO CO[C@@]1(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])CCOC1 ZINC000602649491 344515650 /nfs/dbraw/zinc/51/56/50/344515650.db2.gz JRXOVMNVBYATIB-OAHLLOKOSA-N 1 0 294.351 1.875 20 5 CDBDRO CCO[C@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1C ZINC000602684081 344530424 /nfs/dbraw/zinc/53/04/24/344530424.db2.gz FNBSWTOMOPDGOB-PWSUYJOCSA-N 1 0 282.344 1.575 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000602801108 344590498 /nfs/dbraw/zinc/59/04/98/344590498.db2.gz ZUUADOHEEMDOPQ-GHMZBOCLSA-N 1 0 281.360 1.124 20 5 CDBDRO COCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])CC(C)C ZINC000602761337 344583412 /nfs/dbraw/zinc/58/34/12/344583412.db2.gz BNRKGHACHFWSDT-UHFFFAOYSA-N 1 0 284.360 1.704 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCOCC1CC1 ZINC000602789337 344601132 /nfs/dbraw/zinc/60/11/32/344601132.db2.gz UVOGKOWDNDUFDG-UHFFFAOYSA-N 1 0 282.344 1.458 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000602791267 344601992 /nfs/dbraw/zinc/60/19/92/344601992.db2.gz CRMNDXFKFPAKNO-CYBMUJFWSA-N 1 0 295.387 1.562 20 5 CDBDRO CC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000602808134 344602040 /nfs/dbraw/zinc/60/20/40/344602040.db2.gz CKUFSDHTIVOXAX-NWDGAFQWSA-N 1 0 282.344 1.647 20 5 CDBDRO COC[C@@](C)(CO)NCc1c(F)cccc1[N+](=O)[O-] ZINC000602931117 344661858 /nfs/dbraw/zinc/66/18/58/344661858.db2.gz HBEBXYRGTBVQHQ-GFCCVEGCSA-N 1 0 272.276 1.221 20 5 CDBDRO CCOC[C@@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602840638 344621780 /nfs/dbraw/zinc/62/17/80/344621780.db2.gz OIEQGUQYQCMXJZ-ZDUSSCGKSA-N 1 0 296.371 1.991 20 5 CDBDRO COCC[C@H](CO)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000603436471 344808832 /nfs/dbraw/zinc/80/88/32/344808832.db2.gz YVFLGNPPJZENJB-ICDLMJIXSA-N 1 0 294.351 1.985 20 5 CDBDRO Cc1ccc(NC(=O)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000084163197 178810814 /nfs/dbraw/zinc/81/08/14/178810814.db2.gz BJNIGNAJXLKWAB-UHFFFAOYSA-N 1 0 251.286 1.969 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](O)CC1 ZINC000293072367 362522153 /nfs/dbraw/zinc/52/21/53/362522153.db2.gz JBQQCILTUQOPEU-LBPRGKRZSA-N 1 0 280.324 1.820 20 5 CDBDRO O=C(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)NC1CCCC1 ZINC000040676160 345035895 /nfs/dbraw/zinc/03/58/95/345035895.db2.gz FZGUFSSCQBVXAR-UHFFFAOYSA-N 1 0 291.351 1.786 20 5 CDBDRO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293251520 362533012 /nfs/dbraw/zinc/53/30/12/362533012.db2.gz BORWXQBLYGSCGS-BDAKNGLRSA-N 1 0 280.328 1.352 20 5 CDBDRO [NH3+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000129223335 362533202 /nfs/dbraw/zinc/53/32/02/362533202.db2.gz INPKYBBKRKTWHO-NSHDSACASA-N 1 0 267.260 1.201 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000159870426 362544474 /nfs/dbraw/zinc/54/44/74/362544474.db2.gz GCZMSPPXRKJEGS-ZDUSSCGKSA-N 1 0 277.324 1.713 20 5 CDBDRO Cc1sc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000293411026 362559359 /nfs/dbraw/zinc/55/93/59/362559359.db2.gz NDDVJWDMOAMYTK-VHSXEESVSA-N 1 0 295.364 1.789 20 5 CDBDRO CC[C@@](C)(O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000087027773 345566705 /nfs/dbraw/zinc/56/67/05/345566705.db2.gz KEFPGLFCMBWIBE-CYBMUJFWSA-N 1 0 252.314 1.888 20 5 CDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C(C)(C)CO ZINC000609895018 346037034 /nfs/dbraw/zinc/03/70/34/346037034.db2.gz ZIXJAAAPCOQJCE-UHFFFAOYSA-N 1 0 268.313 1.676 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+](CCCO)C2CC2)cc1 ZINC000610132937 346208182 /nfs/dbraw/zinc/20/81/82/346208182.db2.gz IGUKDZDVNLAQCJ-UHFFFAOYSA-N 1 0 280.324 1.820 20 5 CDBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1c([N+](=O)[O-])ncn1C ZINC000610282738 346243488 /nfs/dbraw/zinc/24/34/88/346243488.db2.gz SMHOKTPGCKZWKO-LLVKDONJSA-N 1 0 281.360 1.639 20 5 CDBDRO CCCN(C(=O)c1cc([N+](=O)[O-])cn1C)C1CC[NH2+]CC1 ZINC000037537727 346360103 /nfs/dbraw/zinc/36/01/03/346360103.db2.gz NIEGPMHDZAECBC-UHFFFAOYSA-N 1 0 294.355 1.538 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(c3cccnc3[N+](=O)[O-])CC[C@@H]21 ZINC000610807974 346444027 /nfs/dbraw/zinc/44/40/27/346444027.db2.gz CTXAOSALTMJVAI-NEPJUHHUSA-N 1 0 276.340 1.910 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000611221652 346695803 /nfs/dbraw/zinc/69/58/03/346695803.db2.gz DSLKLALCLWDTBI-WDEREUQCSA-N 1 0 264.329 1.909 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000124764807 347619278 /nfs/dbraw/zinc/61/92/78/347619278.db2.gz NPGUAYFUZAVCQO-YUMQZZPRSA-N 1 0 253.258 1.140 20 5 CDBDRO Cc1cnc(N2C[C@@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000090691885 347817680 /nfs/dbraw/zinc/81/76/80/347817680.db2.gz DUORZHRVGUTJDS-AOOOYVTPSA-N 1 0 250.302 1.485 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000086467994 179298981 /nfs/dbraw/zinc/29/89/81/179298981.db2.gz MNPMVEVKIVWJGL-MNOVXSKESA-N 1 0 277.324 1.726 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H]2CC[NH2+]C2)c1 ZINC000088147755 179556852 /nfs/dbraw/zinc/55/68/52/179556852.db2.gz KOBSBFDFMUXRIF-LLVKDONJSA-N 1 0 277.324 1.633 20 5 CDBDRO C[NH2+]CCN(C)c1ncc([N+](=O)[O-])cc1Br ZINC000086481878 362937291 /nfs/dbraw/zinc/93/72/91/362937291.db2.gz NOSODEUMFBUGLH-UHFFFAOYSA-N 1 0 289.133 1.408 20 5 CDBDRO CC[C@@H](CSC)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000091099381 180098052 /nfs/dbraw/zinc/09/80/52/180098052.db2.gz DJCWSOJKLXZJBW-JTQLQIEISA-N 1 0 272.374 1.865 20 5 CDBDRO O=[N+]([O-])c1cncc(Cl)c1NC1CC[NH2+]CC1 ZINC000306096948 350145772 /nfs/dbraw/zinc/14/57/72/350145772.db2.gz MYIVGEHTNVNFBN-UHFFFAOYSA-N 1 0 256.693 1.807 20 5 CDBDRO [NH3+][C@H]1CC[C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000091546259 180186889 /nfs/dbraw/zinc/18/68/89/180186889.db2.gz FNBYUPRNJGERGN-QWRGUYRKSA-N 1 0 263.297 1.338 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCSCCCO)c1 ZINC000105643803 186067378 /nfs/dbraw/zinc/06/73/78/186067378.db2.gz GMOJCHZCZUPLJL-UHFFFAOYSA-N 1 0 270.354 1.800 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000106364172 186110267 /nfs/dbraw/zinc/11/02/67/186110267.db2.gz MPZVWRVFZZHTCD-NSHDSACASA-N 1 0 295.314 1.900 20 5 CDBDRO O=[N+]([O-])c1ccc(NCC[C@@H]2CCC[NH2+]C2)cn1 ZINC000110792912 186325290 /nfs/dbraw/zinc/32/52/90/186325290.db2.gz ZMWSTAVBWIYENZ-JTQLQIEISA-N 1 0 250.302 1.791 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000312403883 350768371 /nfs/dbraw/zinc/76/83/71/350768371.db2.gz HXLMIRXMVRNKKY-PTRXPTGYSA-N 1 0 280.328 1.050 20 5 CDBDRO O=[N+]([O-])c1c(N2CC[C@@H]3C[NH2+]C[C@@H]32)nc2sccn21 ZINC000209506863 351235796 /nfs/dbraw/zinc/23/57/96/351235796.db2.gz DRMJPFISAOFJEX-SFYZADRCSA-N 1 0 279.325 1.102 20 5 CDBDRO CC1(C)CN(Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000614920211 363069497 /nfs/dbraw/zinc/06/94/97/363069497.db2.gz GXOWJTDUJBRHPB-UHFFFAOYSA-N 1 0 293.367 1.483 20 5 CDBDRO C[NH2+]CCN(C)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000120329315 186892678 /nfs/dbraw/zinc/89/26/78/186892678.db2.gz NXJNRNQNYHLGKU-SNVBAGLBSA-N 1 0 297.380 1.753 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000291886358 198096012 /nfs/dbraw/zinc/09/60/12/198096012.db2.gz LZARPQRYKFQMRL-SNVBAGLBSA-N 1 0 294.355 1.636 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000133657481 187699168 /nfs/dbraw/zinc/69/91/68/187699168.db2.gz SXHNCJROMQBSBZ-VIFPVBQESA-N 1 0 296.302 1.140 20 5 CDBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856231 140219531 /nfs/dbraw/zinc/21/95/31/140219531.db2.gz QUSANRQXFDVLLQ-RNCFNFMXSA-N 1 0 279.340 1.893 20 5 CDBDRO C[C@@H](CCCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000292085473 198158152 /nfs/dbraw/zinc/15/81/52/198158152.db2.gz MPJBDHUXUAAFMT-QMMMGPOBSA-N 1 0 255.274 1.435 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000292115992 198168962 /nfs/dbraw/zinc/16/89/62/198168962.db2.gz QYMRBYBCNMOICO-SNVBAGLBSA-N 1 0 294.355 1.636 20 5 CDBDRO [NH3+]CC1(NC(=O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000154291722 188134055 /nfs/dbraw/zinc/13/40/55/188134055.db2.gz XDKMAFDDPKDPMZ-UHFFFAOYSA-N 1 0 293.323 1.361 20 5 CDBDRO COc1cc(C(=O)NC[C@@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000156698410 188277195 /nfs/dbraw/zinc/27/71/95/188277195.db2.gz TYDXFRJXZYWMRI-JTQLQIEISA-N 1 0 279.296 1.085 20 5 CDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158395209 188373422 /nfs/dbraw/zinc/37/34/22/188373422.db2.gz SEYDNMNYRDXNQO-CQSZACIVSA-N 1 0 293.298 1.560 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000063170448 363277717 /nfs/dbraw/zinc/27/77/17/363277717.db2.gz SXWUTOHYVBSDHT-ZETCQYMHSA-N 1 0 271.704 1.715 20 5 CDBDRO CS(=O)(=O)C1(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC000279727196 363279325 /nfs/dbraw/zinc/27/93/25/363279325.db2.gz VLPHDVXEXUXJPE-UHFFFAOYSA-N 1 0 284.337 1.262 20 5 CDBDRO O=[N+]([O-])c1cccc(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000112839620 366159987 /nfs/dbraw/zinc/15/99/87/366159987.db2.gz ASELPBHSONJWDK-HUUCEWRRSA-N 1 0 291.351 1.548 20 5 CDBDRO O=[N+]([O-])c1ccccc1CNC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000112839640 366160356 /nfs/dbraw/zinc/16/03/56/366160356.db2.gz IEHVBBOTWJJUCH-KGLIPLIRSA-N 1 0 291.351 1.548 20 5 CDBDRO CN(C)CC[N@H+](C)CCCN(C)c1ccc([N+](=O)[O-])cn1 ZINC000341045564 366209196 /nfs/dbraw/zinc/20/91/96/366209196.db2.gz MVCLVGXDBZGCSZ-UHFFFAOYSA-N 1 0 295.387 1.310 20 5 CDBDRO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000295343892 199467541 /nfs/dbraw/zinc/46/75/41/199467541.db2.gz YMFDVLNGWTWPQA-UHFFFAOYSA-N 1 0 263.297 1.085 20 5 CDBDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000411934212 363383227 /nfs/dbraw/zinc/38/32/27/363383227.db2.gz KGVNSALNDOSNDL-SNVBAGLBSA-N 1 0 295.314 1.644 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000411981067 363392501 /nfs/dbraw/zinc/39/25/01/363392501.db2.gz IJAYEVSXNFKMCA-CHWSQXEVSA-N 1 0 280.324 1.472 20 5 CDBDRO CCN(CCC[NH+]1CCCC1)c1ncc([N+](=O)[O-])cn1 ZINC000350670781 363406141 /nfs/dbraw/zinc/40/61/41/363406141.db2.gz UJVLQFFXKOMLEL-UHFFFAOYSA-N 1 0 279.344 1.697 20 5 CDBDRO C[C@@H]1[C@H](O)CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000590762315 358512211 /nfs/dbraw/zinc/51/22/11/358512211.db2.gz QSUBDJLRPPASJC-BXUZGUMPSA-N 1 0 280.324 1.819 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2cnccn2)c1 ZINC000341260900 357216214 /nfs/dbraw/zinc/21/62/14/357216214.db2.gz DCRLSIFJOYSNNH-UHFFFAOYSA-N 1 0 258.281 1.717 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CC[NH2+]C1 ZINC000071310174 357304570 /nfs/dbraw/zinc/30/45/70/357304570.db2.gz FCCSUYJIRLTGGP-SSDOTTSWSA-N 1 0 255.299 1.090 20 5 CDBDRO CCC[N@H+](CC)CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181150944 357318086 /nfs/dbraw/zinc/31/80/86/357318086.db2.gz QCWAUARVLPQYQL-UHFFFAOYSA-N 1 0 294.355 1.639 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@](C)(C[NH3+])C1 ZINC000261868846 357337660 /nfs/dbraw/zinc/33/76/60/357337660.db2.gz YRPVCZTXCKSPDF-CQSZACIVSA-N 1 0 279.340 1.774 20 5 CDBDRO CCC[N@H+](CCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182174492 357415886 /nfs/dbraw/zinc/41/58/86/357415886.db2.gz CWULIJMBTJYFLP-LBPRGKRZSA-N 1 0 298.339 1.039 20 5 CDBDRO CN(CCOc1cccc([N+](=O)[O-])c1)CC[N@H+](C)C1CC1 ZINC000186732522 357679302 /nfs/dbraw/zinc/67/93/02/357679302.db2.gz MUMCFRRRDCLGEY-UHFFFAOYSA-N 1 0 293.367 2.000 20 5 CDBDRO CCc1nn(C)c(NCC[N@H+](C)CCCOC)c1[N+](=O)[O-] ZINC000360996793 357767638 /nfs/dbraw/zinc/76/76/38/357767638.db2.gz UBNHWVIWZPFQTF-UHFFFAOYSA-N 1 0 299.375 1.271 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H]([NH3+])C(C)C)cc([N+](=O)[O-])c1 ZINC000135238223 357802503 /nfs/dbraw/zinc/80/25/03/357802503.db2.gz YRAWEWCYMSNENL-GFCCVEGCSA-N 1 0 265.313 1.616 20 5 CDBDRO COCCC[N@H+](CCO)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000188930830 357954402 /nfs/dbraw/zinc/95/44/02/357954402.db2.gz SXXUOYAYQAIZHF-UHFFFAOYSA-N 1 0 282.340 1.734 20 5 CDBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000189549235 358025628 /nfs/dbraw/zinc/02/56/28/358025628.db2.gz HCKCNYSJRFAAEY-QWHCGFSZSA-N 1 0 293.367 1.482 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000286904270 358026175 /nfs/dbraw/zinc/02/61/75/358026175.db2.gz HELLXKBMCWHREA-LAHYYIKRSA-N 1 0 277.324 1.674 20 5 CDBDRO O=C(NCCC[NH2+]C1CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000165824400 358157693 /nfs/dbraw/zinc/15/76/93/358157693.db2.gz FXNHAVLYQVDGHY-UHFFFAOYSA-N 1 0 281.287 1.606 20 5 CDBDRO C[NH+](C)C1CCN(CCNc2ncc([N+](=O)[O-])s2)CC1 ZINC000192477435 358205931 /nfs/dbraw/zinc/20/59/31/358205931.db2.gz SMWWRZVSSOGFNJ-UHFFFAOYSA-N 1 0 299.400 1.489 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000127089339 358225316 /nfs/dbraw/zinc/22/53/16/358225316.db2.gz LJFQSODOXPOKKK-PWSUYJOCSA-N 1 0 277.324 1.599 20 5 CDBDRO CS(=O)(=O)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192773364 358234465 /nfs/dbraw/zinc/23/44/65/358234465.db2.gz FHFOMQFUIQWWGG-CYBMUJFWSA-N 1 0 298.364 1.606 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]([NH3+])C2CC2)c1 ZINC000129183670 358279027 /nfs/dbraw/zinc/27/90/27/358279027.db2.gz XCNQYULEZLTWFN-NSHDSACASA-N 1 0 263.297 1.370 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[C@@H]1[NH3+] ZINC000094339380 366399686 /nfs/dbraw/zinc/39/96/86/366399686.db2.gz FHBPKEICLFUFNC-UFBFGSQYSA-N 1 0 281.287 1.543 20 5 CDBDRO COc1ccc(OC[C@@H](O)C[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000290854302 358683009 /nfs/dbraw/zinc/68/30/09/358683009.db2.gz XQNSPPFLPQRXIC-NSHDSACASA-N 1 0 296.323 1.437 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000264848489 358746678 /nfs/dbraw/zinc/74/66/78/358746678.db2.gz BMRNIHVZWLQBOG-UHFFFAOYSA-N 1 0 251.286 1.276 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000264852936 358747780 /nfs/dbraw/zinc/74/77/80/358747780.db2.gz CGKUBAZMSULVHM-NSHDSACASA-N 1 0 294.355 1.463 20 5 CDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000567673381 358717926 /nfs/dbraw/zinc/71/79/26/358717926.db2.gz UOSIDYKDJMSODU-UWVGGRQHSA-N 1 0 295.343 1.059 20 5 CDBDRO CC(C)[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCS1 ZINC000176285470 358786014 /nfs/dbraw/zinc/78/60/14/358786014.db2.gz HSMSSZYOYOOTTQ-NSHDSACASA-N 1 0 284.385 1.865 20 5 CDBDRO O=C(CC[NH+]1CCSCC1)Nc1ccccc1[N+](=O)[O-] ZINC000103467838 358924299 /nfs/dbraw/zinc/92/42/99/358924299.db2.gz BOHDGKMXYDSKQR-UHFFFAOYSA-N 1 0 295.364 1.972 20 5 CDBDRO C[C@@H](C(=O)N(C)C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338349993 359121193 /nfs/dbraw/zinc/12/11/93/359121193.db2.gz DMJPBJSCQSFZFC-NSHDSACASA-N 1 0 279.340 1.546 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@H+](C)CC1 ZINC000287998632 359145921 /nfs/dbraw/zinc/14/59/21/359145921.db2.gz AQRAFIJDJLKUPF-UHFFFAOYSA-N 1 0 267.333 1.262 20 5 CDBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]C1 ZINC000050164218 359352749 /nfs/dbraw/zinc/35/27/49/359352749.db2.gz UUQORQOIXPVYFT-BDAKNGLRSA-N 1 0 251.290 1.185 20 5 CDBDRO Cc1c(C(=O)N2CC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000050246300 359408001 /nfs/dbraw/zinc/40/80/01/359408001.db2.gz LFDNOXSBTNRIQI-SNVBAGLBSA-N 1 0 263.297 1.324 20 5 CDBDRO C[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])[NH+](C)C ZINC000037985918 359467293 /nfs/dbraw/zinc/46/72/93/359467293.db2.gz TZUAJDOEBGVDDA-QMMMGPOBSA-N 1 0 291.311 1.193 20 5 CDBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000289562517 359618322 /nfs/dbraw/zinc/61/83/22/359618322.db2.gz DWBASICKMLSYSZ-JTQLQIEISA-N 1 0 282.344 1.773 20 5 CDBDRO COCC[C@](C)(O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000172069600 237308626 /nfs/dbraw/zinc/30/86/26/237308626.db2.gz CZBBWCOQFUEUFH-ZDUSSCGKSA-N 1 0 268.313 1.472 20 5 CDBDRO COc1ccc(C[N@H+](C)[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000135615633 359781020 /nfs/dbraw/zinc/78/10/20/359781020.db2.gz RUPQBSJOVOPQHG-VIFPVBQESA-N 1 0 254.286 1.416 20 5 CDBDRO CC[NH2+]CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000054263315 360064815 /nfs/dbraw/zinc/06/48/15/360064815.db2.gz BOUMJXVAIQATOA-UHFFFAOYSA-N 1 0 271.704 1.588 20 5 CDBDRO [NH3+]C[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000165835879 283523862 /nfs/dbraw/zinc/52/38/62/283523862.db2.gz QRPAQNAMIBLXIP-VIFPVBQESA-N 1 0 271.704 1.412 20 5 CDBDRO [NH3+]CCCCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000514861676 360238784 /nfs/dbraw/zinc/23/87/84/360238784.db2.gz ZJCOTDJLDRTDMA-UHFFFAOYSA-N 1 0 277.324 1.609 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000162786825 360394696 /nfs/dbraw/zinc/39/46/96/360394696.db2.gz WFZGHRMFXVRUHL-NSHDSACASA-N 1 0 295.339 1.607 20 5 CDBDRO COC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000089580557 360496147 /nfs/dbraw/zinc/49/61/47/360496147.db2.gz YPWIEKOAYQWKSE-CQSZACIVSA-N 1 0 280.324 1.988 20 5 CDBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298966948 200572694 /nfs/dbraw/zinc/57/26/94/200572694.db2.gz ZINQVFGFKLSSNV-JTQLQIEISA-N 1 0 280.328 1.527 20 5 CDBDRO CC(C)[C@@H](C[NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000087515381 360726106 /nfs/dbraw/zinc/72/61/06/360726106.db2.gz PKYGKKLXNXRVGI-LLVKDONJSA-N 1 0 251.286 1.764 20 5 CDBDRO CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@@H+]1C ZINC000408363382 360710883 /nfs/dbraw/zinc/71/08/83/360710883.db2.gz WOIBSUAEQFJRIR-GFCCVEGCSA-N 1 0 294.355 1.346 20 5 CDBDRO C[C@@H]([NH3+])CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000178639957 189133469 /nfs/dbraw/zinc/13/34/69/189133469.db2.gz SBQIOLUDLBBUMI-SECBINFHSA-N 1 0 292.339 1.636 20 5 CDBDRO C[N@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000358393273 360993905 /nfs/dbraw/zinc/99/39/05/360993905.db2.gz LBAJYBPVVHLLIK-UHFFFAOYSA-N 1 0 295.314 1.487 20 5 CDBDRO Cn1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1 ZINC000289784644 361249235 /nfs/dbraw/zinc/24/92/35/361249235.db2.gz LLVFCIDWUJTAPP-UHFFFAOYSA-N 1 0 274.324 1.899 20 5 CDBDRO Cc1c(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000070076345 361238324 /nfs/dbraw/zinc/23/83/24/361238324.db2.gz USSSMWQFWQJGQX-UWVGGRQHSA-N 1 0 277.324 1.726 20 5 CDBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000519599549 361422871 /nfs/dbraw/zinc/42/28/71/361422871.db2.gz NQHCIWVNLQOIGB-PWSUYJOCSA-N 1 0 277.324 1.252 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[NH2+]C2(CO)CCCC2)c1 ZINC000304866656 239365736 /nfs/dbraw/zinc/36/57/36/239365736.db2.gz CMUHRZFQXQQLAA-UHFFFAOYSA-N 1 0 280.324 1.868 20 5 CDBDRO C[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000581168599 363968378 /nfs/dbraw/zinc/96/83/78/363968378.db2.gz CUVRCDUJLDIAIA-UWVGGRQHSA-N 1 0 295.343 1.168 20 5 CDBDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000168166510 363969594 /nfs/dbraw/zinc/96/95/94/363969594.db2.gz APWHNVFIKLJWMZ-HUTHGQBESA-N 1 0 256.327 1.451 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[NH2+]2)c1 ZINC000237242243 364580706 /nfs/dbraw/zinc/58/07/06/364580706.db2.gz ZKXJNENRSKIBOW-SNVBAGLBSA-N 1 0 293.323 1.475 20 5 CDBDRO C[C@H](O)C[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000249496949 364756915 /nfs/dbraw/zinc/75/69/15/364756915.db2.gz HCKCNYSJRFAAEY-OLZOCXBDSA-N 1 0 293.367 1.482 20 5 CDBDRO C[NH2+]CCN(C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000237273700 364854641 /nfs/dbraw/zinc/85/46/41/364854641.db2.gz KMSBVEFJUDOHMW-UHFFFAOYSA-N 1 0 280.328 1.075 20 5 CDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cn[nH]c1 ZINC000589184948 364898492 /nfs/dbraw/zinc/89/84/92/364898492.db2.gz DHPWLMUQZQUXKC-UHFFFAOYSA-N 1 0 260.297 1.992 20 5 CDBDRO CC[C@H]([NH2+]C[C@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000181731169 365037609 /nfs/dbraw/zinc/03/76/09/365037609.db2.gz KSNITOHQSQVYJT-UONOGXRCSA-N 1 0 280.324 1.787 20 5 CDBDRO CC(C)[N@H+](C)CC1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000546151482 365297412 /nfs/dbraw/zinc/29/74/12/365297412.db2.gz FTGTXDWSQMIHKN-UHFFFAOYSA-N 1 0 293.371 1.941 20 5 CDBDRO CCS(=O)(=O)CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000414547997 241248686 /nfs/dbraw/zinc/24/86/86/241248686.db2.gz WPOBZFZIYAAYPN-UHFFFAOYSA-N 1 0 292.382 1.571 20 5 CDBDRO C[N@H+]1CC=C(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271917446 367035603 /nfs/dbraw/zinc/03/56/03/367035603.db2.gz JQKLLKFNSJLGSX-UHFFFAOYSA-N 1 0 289.335 1.515 20 5 CDBDRO C[NH2+]CCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414836870 367121605 /nfs/dbraw/zinc/12/16/05/367121605.db2.gz WQSPXWPVVITSNV-UHFFFAOYSA-N 1 0 289.339 1.304 20 5 CDBDRO CC(C)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCC1 ZINC000193213417 367989113 /nfs/dbraw/zinc/98/91/13/367989113.db2.gz RBTGUAZMUKXTMA-AWEZNQCLSA-N 1 0 296.371 1.663 20 5 CDBDRO COc1cc(CN[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000414868926 368364084 /nfs/dbraw/zinc/36/40/84/368364084.db2.gz QJAHAMZRYHDDRN-LLVKDONJSA-N 1 0 295.339 1.454 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000418540746 243194816 /nfs/dbraw/zinc/19/48/16/243194816.db2.gz GTKVEUTZZFNXHS-NSHDSACASA-N 1 0 294.355 1.516 20 5 CDBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000419373478 243649878 /nfs/dbraw/zinc/64/98/78/243649878.db2.gz OICILMANOQWBLB-OUAUKWLOSA-N 1 0 252.318 1.768 20 5 CDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1ncc([N+](=O)[O-])s1 ZINC000420285267 244025983 /nfs/dbraw/zinc/02/59/83/244025983.db2.gz PKCYMEMLQNKAEN-NLZKFAMNSA-N 1 0 268.342 1.979 20 5 CDBDRO [NH3+]CC1(CC(=O)Nc2cc([N+](=O)[O-])n[nH]2)CCCCC1 ZINC001580241539 1172381445 /nfs/dbraw/zinc/38/14/45/1172381445.db2.gz DNDFVFVRHALDQM-UHFFFAOYSA-N 1 0 281.316 1.556 20 5 CDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C1=CC[N@H+](C)CC1 ZINC000330774321 203219035 /nfs/dbraw/zinc/21/90/35/203219035.db2.gz RDTRKXQQWQBSDE-VIFPVBQESA-N 1 0 278.312 1.303 20 5 CDBDRO Cc1c([C@@H](C)NC[C@]2(O)CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000330874876 203340391 /nfs/dbraw/zinc/34/03/91/203340391.db2.gz ISLVUCBVCVTNIP-IUODEOHRSA-N 1 0 293.367 1.620 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000290160542 369808733 /nfs/dbraw/zinc/80/87/33/369808733.db2.gz PZAPQTHFLXMPBD-LBPRGKRZSA-N 1 0 298.364 1.509 20 5 CDBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C ZINC000037668643 369785436 /nfs/dbraw/zinc/78/54/36/369785436.db2.gz ZFCZSNULTPOBRZ-JTQLQIEISA-N 1 0 279.340 1.988 20 5 CDBDRO O=[N+]([O-])c1cccc(CN2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000089151881 370135277 /nfs/dbraw/zinc/13/52/77/370135277.db2.gz JSEAOMJKHFFGAK-LSDHHAIUSA-N 1 0 292.335 1.975 20 5 CDBDRO COc1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000129919238 370280574 /nfs/dbraw/zinc/28/05/74/370280574.db2.gz DCUMNCSDAXIRCX-SECBINFHSA-N 1 0 265.269 1.294 20 5 CDBDRO Cc1nc(NC[C@@H](C)C[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000295564655 370489088 /nfs/dbraw/zinc/48/90/88/370489088.db2.gz QQPJWUSIQKJSJC-SNVBAGLBSA-N 1 0 279.344 1.837 20 5 CDBDRO C[C@@H]([NH2+]C1CC1)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000295612784 370522747 /nfs/dbraw/zinc/52/27/47/370522747.db2.gz GLOWPDGYXNSLEX-SSDOTTSWSA-N 1 0 289.295 1.550 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000422706448 245162559 /nfs/dbraw/zinc/16/25/59/245162559.db2.gz FBPHJEUWLXZXQI-GFCCVEGCSA-N 1 0 277.324 1.266 20 5 CDBDRO COc1ccc(CN[C@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000414932447 371143797 /nfs/dbraw/zinc/14/37/97/371143797.db2.gz RCTLLKLNXZZWMO-PWSUYJOCSA-N 1 0 279.340 1.691 20 5 CDBDRO Cc1c(CC(=O)NC[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000422849069 245327388 /nfs/dbraw/zinc/32/73/88/245327388.db2.gz LHEWRINYWUTJGI-GFCCVEGCSA-N 1 0 279.340 1.545 20 5 CDBDRO Cc1c(CNC[C@@H](O)C[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000314789691 371203637 /nfs/dbraw/zinc/20/36/37/371203637.db2.gz UOGUVUJBZCXHFG-CQSZACIVSA-N 1 0 293.367 1.448 20 5 CDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COC[C@H]1O ZINC000296026455 372090657 /nfs/dbraw/zinc/09/06/57/372090657.db2.gz SITYFMUISTYTRI-MPKXVKKWSA-N 1 0 280.324 1.265 20 5 CDBDRO CC(C)[C@@H](C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266392841 372779726 /nfs/dbraw/zinc/77/97/26/372779726.db2.gz CKSDJBDFRGVTHM-PWSUYJOCSA-N 1 0 270.333 1.129 20 5 CDBDRO CC[C@H]([NH3+])CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000138076721 139899806 /nfs/dbraw/zinc/89/98/06/139899806.db2.gz MJEOAIJAFRTUAX-QMMMGPOBSA-N 1 0 287.341 1.148 20 5 CDBDRO Cc1ccnc(N2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000301302169 373504559 /nfs/dbraw/zinc/50/45/59/373504559.db2.gz RSPZIRCBKSTEFL-UHFFFAOYSA-N 1 0 264.329 1.829 20 5 CDBDRO C[C@@H](NC[C@@H]1C[NH2+]CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423506510 245864053 /nfs/dbraw/zinc/86/40/53/245864053.db2.gz HATZEQORPVVGGR-RISCZKNCSA-N 1 0 279.340 1.624 20 5 CDBDRO C[C@H](C[S@@](C)=O)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000168885695 373797898 /nfs/dbraw/zinc/79/78/98/373797898.db2.gz LOOXFJUXMVSFPD-MGNBDDOMSA-N 1 0 270.354 1.494 20 5 CDBDRO COc1cc(C(=O)N(C)C2CC([NH3+])C2)cc([N+](=O)[O-])c1C ZINC000423705203 245993926 /nfs/dbraw/zinc/99/39/26/245993926.db2.gz KORFHEGVOLMBQS-UHFFFAOYSA-N 1 0 293.323 1.474 20 5 CDBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000274125286 374132774 /nfs/dbraw/zinc/13/27/74/374132774.db2.gz XNSKXCITLOJQAM-NEPJUHHUSA-N 1 0 280.324 1.988 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000311457475 374255258 /nfs/dbraw/zinc/25/52/58/374255258.db2.gz KYDTYYKETLCVGL-FGEFZZPRSA-N 1 0 263.297 1.462 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000113515283 374261048 /nfs/dbraw/zinc/26/10/48/374261048.db2.gz QDOSERGJAGVODS-ZDUSSCGKSA-N 1 0 293.367 1.857 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000113513297 374261826 /nfs/dbraw/zinc/26/18/26/374261826.db2.gz GXEIDEFSBGTMOU-CYBMUJFWSA-N 1 0 263.341 1.978 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000161615994 374355079 /nfs/dbraw/zinc/35/50/79/374355079.db2.gz AXOOJVILLKIVJR-MNOVXSKESA-N 1 0 263.297 1.595 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCCNC2)n1 ZINC000423189161 374372015 /nfs/dbraw/zinc/37/20/15/374372015.db2.gz MRLYJRRUBZJRKM-FRRDWIJNSA-N 1 0 293.371 1.617 20 5 CDBDRO CC(C)([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423852009 246144667 /nfs/dbraw/zinc/14/46/67/246144667.db2.gz SSLJWIYTAQQYEZ-UHFFFAOYSA-N 1 0 271.704 1.602 20 5 CDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000356882706 374420139 /nfs/dbraw/zinc/42/01/39/374420139.db2.gz PTENCNJWVOAYHV-NWDGAFQWSA-N 1 0 291.351 1.688 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1COCCO1 ZINC000531683916 374505751 /nfs/dbraw/zinc/50/57/51/374505751.db2.gz NURAUPFGOBXAOG-DGCLKSJQSA-N 1 0 280.324 1.969 20 5 CDBDRO COC[C@](C)(O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000531966427 374521780 /nfs/dbraw/zinc/52/17/80/374521780.db2.gz BNXGAROQVUJXHM-SMDDNHRTSA-N 1 0 282.340 1.951 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000376894601 374574224 /nfs/dbraw/zinc/57/42/24/374574224.db2.gz IJZZYZNQECJSEG-CYBMUJFWSA-N 1 0 262.309 1.860 20 5 CDBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000070149190 374649917 /nfs/dbraw/zinc/64/99/17/374649917.db2.gz OMJUWHJGUINBIN-VIFPVBQESA-N 1 0 266.301 1.266 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000070172828 374654358 /nfs/dbraw/zinc/65/43/58/374654358.db2.gz NLPHXALZEHOCOF-RKDXNWHRSA-N 1 0 267.285 1.387 20 5 CDBDRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cn1 ZINC000274499464 374675827 /nfs/dbraw/zinc/67/58/27/374675827.db2.gz RRRFOZNHAROMEO-GFCCVEGCSA-N 1 0 293.371 1.428 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000124231841 374758272 /nfs/dbraw/zinc/75/82/72/374758272.db2.gz DBZKUIUKPQNULU-GFCCVEGCSA-N 1 0 276.340 1.973 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000389804590 374758435 /nfs/dbraw/zinc/75/84/35/374758435.db2.gz ZEERGBAZMVEWMU-QPUJVOFHSA-N 1 0 281.287 1.462 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccccc2F)c1 ZINC000037880484 374782697 /nfs/dbraw/zinc/78/26/97/374782697.db2.gz NLBVOOPCQWEKNA-LBPRGKRZSA-N 1 0 294.286 1.081 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000331302289 374925625 /nfs/dbraw/zinc/92/56/25/374925625.db2.gz SEAVTYVFUSJWIQ-SNVBAGLBSA-N 1 0 282.344 1.764 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]1C[NH3+] ZINC000156100419 375028397 /nfs/dbraw/zinc/02/83/97/375028397.db2.gz AMVIGGSAHCJCQN-NSHDSACASA-N 1 0 299.352 1.015 20 5 CDBDRO CS[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000296277070 375301321 /nfs/dbraw/zinc/30/13/21/375301321.db2.gz MOMXILVSSDNPCB-NSHDSACASA-N 1 0 283.353 1.194 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\C[NH+](C)C ZINC000493554147 375462517 /nfs/dbraw/zinc/46/25/17/375462517.db2.gz LHCSJSZLXBJSIR-PLNGDYQASA-N 1 0 263.297 1.960 20 5 CDBDRO [NH3+]C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CC1 ZINC000132799121 375596005 /nfs/dbraw/zinc/59/60/05/375596005.db2.gz GXUKTWZFRCTMFF-NSHDSACASA-N 1 0 283.715 1.715 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCN1CCC1 ZINC000344850402 375597816 /nfs/dbraw/zinc/59/78/16/375597816.db2.gz TYPWFEBNASZUOP-UTCJRWHESA-N 1 0 261.325 1.903 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000426456716 247027553 /nfs/dbraw/zinc/02/75/53/247027553.db2.gz WJNOHIBICUXODZ-DGCLKSJQSA-N 1 0 277.324 1.631 20 5 CDBDRO COc1c(C(=O)NC[C@H]2CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000354781891 375750151 /nfs/dbraw/zinc/75/01/51/375750151.db2.gz HQVTVAQVCLOXGB-SNVBAGLBSA-N 1 0 293.323 1.285 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCCN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428041002 247234599 /nfs/dbraw/zinc/23/45/99/247234599.db2.gz YWUVKZQLHLUMKR-STQMWFEESA-N 1 0 291.351 1.657 20 5 CDBDRO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C[N@@H+]1C1CC1 ZINC000133535012 375797577 /nfs/dbraw/zinc/79/75/77/375797577.db2.gz IZCSFWGORUOIHQ-HTQZYQBOSA-N 1 0 278.316 1.004 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000003900517 375811809 /nfs/dbraw/zinc/81/18/09/375811809.db2.gz HJCKVQGTMRZSKI-CYBMUJFWSA-N 1 0 280.324 1.820 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000134025450 375823743 /nfs/dbraw/zinc/82/37/43/375823743.db2.gz ANDZGFJPRFXSKH-RKDXNWHRSA-N 1 0 251.286 1.825 20 5 CDBDRO C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000134164476 375927028 /nfs/dbraw/zinc/92/70/28/375927028.db2.gz DXSCJRICRCVPQL-BDAKNGLRSA-N 1 0 251.286 1.194 20 5 CDBDRO C[C@H](NC[C@H](O)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000266869219 378084205 /nfs/dbraw/zinc/08/42/05/378084205.db2.gz MSDKNKCMPQIAKX-WFASDCNBSA-N 1 0 293.367 1.702 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1CC[NH+](C)CC1 ZINC000194517786 378398233 /nfs/dbraw/zinc/39/82/33/378398233.db2.gz HHOBHYNPDWVNAI-UHFFFAOYSA-N 1 0 291.351 1.975 20 5 CDBDRO COCC[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278670435 194095026 /nfs/dbraw/zinc/09/50/26/194095026.db2.gz LPBIFNBQQQTUMK-VIFPVBQESA-N 1 0 278.312 1.986 20 5 CDBDRO Cc1ccc(C[NH2+]CCn2ccnc2)cc1[N+](=O)[O-] ZINC000041063698 379322062 /nfs/dbraw/zinc/32/20/62/379322062.db2.gz DWUNQHCYDOTRBS-UHFFFAOYSA-N 1 0 260.297 1.890 20 5 CDBDRO CC[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000246210436 379474559 /nfs/dbraw/zinc/47/45/59/379474559.db2.gz NSIBMMSEFUQGKI-GHMZBOCLSA-N 1 0 268.317 1.291 20 5 CDBDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279219991 194338154 /nfs/dbraw/zinc/33/81/54/194338154.db2.gz HZMLTXWWNNHZGE-SKDRFNHKSA-N 1 0 277.324 1.972 20 5 CDBDRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000288584004 197119589 /nfs/dbraw/zinc/11/95/89/197119589.db2.gz OAHHTPYEVSYCFN-JOYOIKCWSA-N 1 0 284.337 1.118 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261591491 285092670 /nfs/dbraw/zinc/09/26/70/285092670.db2.gz LYBJOIBEMFHWLG-PSASIEDQSA-N 1 0 282.731 1.831 20 5 CDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NCC[NH+]1CCC1 ZINC000492221505 253177265 /nfs/dbraw/zinc/17/72/65/253177265.db2.gz JTQGIHXHKPAWNJ-HWKANZROSA-N 1 0 293.298 1.569 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]([NH+]3CC=CC3)C2)c(F)c1 ZINC000413168444 285176044 /nfs/dbraw/zinc/17/60/44/285176044.db2.gz KVUWRQQYQSAVKM-SNVBAGLBSA-N 1 0 278.287 1.579 20 5 CDBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])n[nH]1)[NH+]1CCCCC1 ZINC000286037476 390189748 /nfs/dbraw/zinc/18/97/48/390189748.db2.gz KIJFAISJXKEJNP-JTQLQIEISA-N 1 0 295.343 1.312 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000261621006 390476647 /nfs/dbraw/zinc/47/66/47/390476647.db2.gz UUFVBKSMUAUIHF-FYBVGQRMSA-N 1 0 267.285 1.304 20 5 CDBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C12CCC2 ZINC000451474911 390625773 /nfs/dbraw/zinc/62/57/73/390625773.db2.gz QZCHILLHNHNQNG-NWDGAFQWSA-N 1 0 294.355 1.766 20 5 CDBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000451492047 390628182 /nfs/dbraw/zinc/62/81/82/390628182.db2.gz FLCJOZMLWRAQMQ-VXGBXAGGSA-N 1 0 296.371 1.973 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000451219592 390604612 /nfs/dbraw/zinc/60/46/12/390604612.db2.gz DKRFCWFTOKUIQD-GASCZTMLSA-N 1 0 291.351 1.548 20 5 CDBDRO CCO[C@@H]1COC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000451942558 390951918 /nfs/dbraw/zinc/95/19/18/390951918.db2.gz FOZHOTUFECILGJ-DGCLKSJQSA-N 1 0 266.297 1.488 20 5 CDBDRO COC[C@](C)(O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000517173217 390968594 /nfs/dbraw/zinc/96/85/94/390968594.db2.gz RUKNARDETJHNAQ-GXTWGEPZSA-N 1 0 280.324 1.569 20 5 CDBDRO Cc1nc(N2CCC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000124099280 391121356 /nfs/dbraw/zinc/12/13/56/391121356.db2.gz ORYLCFWLWHTGIB-JTQLQIEISA-N 1 0 250.302 1.473 20 5 CDBDRO C[NH2+]CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415635891 391470446 /nfs/dbraw/zinc/47/04/46/391470446.db2.gz VVPKMXDHXLQHLS-UHFFFAOYSA-N 1 0 256.237 1.075 20 5 CDBDRO Cc1cnc(N2C[C@@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000228084815 391588646 /nfs/dbraw/zinc/58/86/46/391588646.db2.gz NYJVRUWWENGGEX-NXEZZACHSA-N 1 0 250.302 1.472 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H]([NH+](C)C)C1 ZINC000192559653 391676368 /nfs/dbraw/zinc/67/63/68/391676368.db2.gz FVMWLMHMIKOYDR-NSHDSACASA-N 1 0 281.360 1.650 20 5 CDBDRO C[C@@H](CC[NH+](C)C)Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341938025 130148148 /nfs/dbraw/zinc/14/81/48/130148148.db2.gz XUXKCNAQGPBANY-VIFPVBQESA-N 1 0 280.328 1.446 20 5 CDBDRO CC1(C)CCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000191848073 130316480 /nfs/dbraw/zinc/31/64/80/130316480.db2.gz VIVWRVYNWCBAOV-JTQLQIEISA-N 1 0 252.318 1.960 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000153267574 391936522 /nfs/dbraw/zinc/93/65/22/391936522.db2.gz FWLLLIHMPYMIAH-VIFPVBQESA-N 1 0 293.327 1.065 20 5 CDBDRO [NH3+][C@@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000133124407 391918650 /nfs/dbraw/zinc/91/86/50/391918650.db2.gz MRTCWNFUHCWJMR-UTPRNQHHSA-N 1 0 275.308 1.462 20 5 CDBDRO CCc1ccc(C(=O)N2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000237135591 131006483 /nfs/dbraw/zinc/00/64/83/131006483.db2.gz OUWYRHFFRVWXHT-UHFFFAOYSA-N 1 0 277.324 1.721 20 5 CDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CCC[NH2+]1 ZINC000237257583 131018351 /nfs/dbraw/zinc/01/83/51/131018351.db2.gz HDBKYDJCYOLSBI-GFCCVEGCSA-N 1 0 297.742 1.959 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000261723345 131164180 /nfs/dbraw/zinc/16/41/80/131164180.db2.gz QJLHZMKLKHQIGK-ZETOZRRWSA-N 1 0 291.351 1.640 20 5 CDBDRO O=C(CC[C@H]1CCC[NH2+]1)NCc1ccc([N+](=O)[O-])cc1 ZINC000261719408 131164355 /nfs/dbraw/zinc/16/43/55/131164355.db2.gz KALYHQSZAKYOPE-GFCCVEGCSA-N 1 0 277.324 1.743 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000262279815 131207764 /nfs/dbraw/zinc/20/77/64/131207764.db2.gz WYQRFPOFBCPRSI-RNCFNFMXSA-N 1 0 292.339 1.424 20 5 CDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCC[NH2+]1 ZINC000262336489 131212945 /nfs/dbraw/zinc/21/29/45/131212945.db2.gz SFNSGJYJKSROQM-SNVBAGLBSA-N 1 0 275.268 1.162 20 5 CDBDRO COCCN(CC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000264116126 131396645 /nfs/dbraw/zinc/39/66/45/131396645.db2.gz CKHGPLHWZAAOGO-UHFFFAOYSA-N 1 0 295.339 1.245 20 5 CDBDRO CC(C)[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000444755038 392653564 /nfs/dbraw/zinc/65/35/64/392653564.db2.gz WJAMFSODTBSXTF-TZMCWYRMSA-N 1 0 296.371 1.520 20 5 CDBDRO Cc1cc(C(=O)N(C)CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000267142853 131825568 /nfs/dbraw/zinc/82/55/68/131825568.db2.gz USXMOUBSPYORHS-UHFFFAOYSA-N 1 0 265.313 1.537 20 5 CDBDRO C[C@@H]1CC[N@H+](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000524776421 392919082 /nfs/dbraw/zinc/91/90/82/392919082.db2.gz DEKLYUGFZOIGPV-GFCCVEGCSA-N 1 0 291.351 1.595 20 5 CDBDRO CC(C)[NH+]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420582006 392919099 /nfs/dbraw/zinc/91/90/99/392919099.db2.gz GRACWKZSJMWJRX-UHFFFAOYSA-N 1 0 292.339 1.224 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000268862751 132078328 /nfs/dbraw/zinc/07/83/28/132078328.db2.gz VYRAKNFAXQYCEY-SECBINFHSA-N 1 0 281.312 1.218 20 5 CDBDRO [NH3+]CCC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269098247 132111579 /nfs/dbraw/zinc/11/15/79/132111579.db2.gz MZPYHLKOJZJAGQ-UHFFFAOYSA-N 1 0 257.677 1.213 20 5 CDBDRO C[C@@H]([NH3+])CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000269166350 132123856 /nfs/dbraw/zinc/12/38/56/132123856.db2.gz QCYIWCNKKLDKST-SNVBAGLBSA-N 1 0 279.340 1.726 20 5 CDBDRO C[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000269205110 132131460 /nfs/dbraw/zinc/13/14/60/132131460.db2.gz LPBOKIRPHKCATC-WDEREUQCSA-N 1 0 292.339 1.202 20 5 CDBDRO C[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000269214373 132133625 /nfs/dbraw/zinc/13/36/25/132133625.db2.gz OYCLSGHKPTXLGO-GXFFZTMASA-N 1 0 293.323 1.169 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000421707416 392942504 /nfs/dbraw/zinc/94/25/04/392942504.db2.gz XIEKZCGEJFZIQR-GFCCVEGCSA-N 1 0 295.314 1.900 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000269254107 132143392 /nfs/dbraw/zinc/14/33/92/132143392.db2.gz HDNNNQORFAPHEE-GFCCVEGCSA-N 1 0 281.312 1.073 20 5 CDBDRO COCC[NH2+]CCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423320149 392960604 /nfs/dbraw/zinc/96/06/04/392960604.db2.gz DCXBTXILVHRNHT-GFCCVEGCSA-N 1 0 281.356 1.790 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CNCCO1)CCC2 ZINC000423543181 392964393 /nfs/dbraw/zinc/96/43/93/392964393.db2.gz BOIFUCFWTUPEJA-ZFWWWQNUSA-N 1 0 291.351 1.550 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1c(OCC)cccc1[N+](=O)[O-] ZINC000423610205 392965680 /nfs/dbraw/zinc/96/56/80/392965680.db2.gz QPUNXKRZJDRDPR-SNVBAGLBSA-N 1 0 295.339 1.721 20 5 CDBDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430203578 393092827 /nfs/dbraw/zinc/09/28/27/393092827.db2.gz PBBCLXTWEXRDES-JTQLQIEISA-N 1 0 296.323 1.844 20 5 CDBDRO CC(C)[C@@](C)(C[NH3+])NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000430552508 393100447 /nfs/dbraw/zinc/10/04/47/393100447.db2.gz RTJGKOOSZQFJFL-CQSZACIVSA-N 1 0 294.355 1.496 20 5 CDBDRO CC(C)[C@@H]([NH3+])CCN(C)Cc1c([N+](=O)[O-])ncn1C ZINC000430557216 393101007 /nfs/dbraw/zinc/10/10/07/393101007.db2.gz SFGQJQAPSRUTAB-JTQLQIEISA-N 1 0 269.349 1.134 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000430646888 393102562 /nfs/dbraw/zinc/10/25/62/393102562.db2.gz PKSUPJKSLUQLAB-GFCCVEGCSA-N 1 0 279.340 1.787 20 5 CDBDRO C[C@@H](O)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449154498 393129252 /nfs/dbraw/zinc/12/92/52/393129252.db2.gz NNDCRQOGSNSGLN-WDEREUQCSA-N 1 0 252.314 1.886 20 5 CDBDRO CC(=O)NCCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449071009 393129687 /nfs/dbraw/zinc/12/96/87/393129687.db2.gz MNBIRDMYLRBYRG-LLVKDONJSA-N 1 0 279.340 1.642 20 5 CDBDRO COCC[C@@](C)(O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449143260 393129696 /nfs/dbraw/zinc/12/96/96/393129696.db2.gz PPYNBKXXUVIYTE-IUODEOHRSA-N 1 0 296.367 1.903 20 5 CDBDRO COc1cc(CNC[C@H](C)[NH+](C)C)c([N+](=O)[O-])cc1O ZINC000449554132 393133513 /nfs/dbraw/zinc/13/35/13/393133513.db2.gz AQADASISBLHNRY-VIFPVBQESA-N 1 0 283.328 1.349 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000449639023 393137728 /nfs/dbraw/zinc/13/77/28/393137728.db2.gz NNCIOAVRLUPNGM-NXEZZACHSA-N 1 0 295.314 1.981 20 5 CDBDRO COC[C@@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000449701905 393139444 /nfs/dbraw/zinc/13/94/44/393139444.db2.gz RJPJUHOUZLVYQK-AWEZNQCLSA-N 1 0 280.324 1.426 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000125734775 393157889 /nfs/dbraw/zinc/15/78/89/393157889.db2.gz MNSXKBYMVXZCIJ-MRVWCRGKSA-N 1 0 289.335 1.794 20 5 CDBDRO CC(C)(NC(=O)[C@]1(F)CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000162242679 393204273 /nfs/dbraw/zinc/20/42/73/393204273.db2.gz APKQYQWEJJUBIL-AWEZNQCLSA-N 1 0 295.314 1.648 20 5 CDBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H](C[NH3+])C1CC1 ZINC000159793736 139905485 /nfs/dbraw/zinc/90/54/85/139905485.db2.gz QMTNQOGIRHULTO-CYBMUJFWSA-N 1 0 277.324 1.333 20 5 CDBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000178967300 140010707 /nfs/dbraw/zinc/01/07/07/140010707.db2.gz NAXJXOQRRMHSCC-SNVBAGLBSA-N 1 0 299.352 1.015 20 5 CDBDRO COCC[NH2+]CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000216443933 140162881 /nfs/dbraw/zinc/16/28/81/140162881.db2.gz MPEBUWKFGHZZJV-UHFFFAOYSA-N 1 0 273.720 1.896 20 5 CDBDRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000228346723 140193863 /nfs/dbraw/zinc/19/38/63/140193863.db2.gz PJNNDKVNPWILDV-XTZNXHDOSA-N 1 0 270.354 1.842 20 5 CDBDRO COCC1(CNc2ccc([N+](=O)[O-])c(C)n2)CC[NH2+]CC1 ZINC000261598924 140361185 /nfs/dbraw/zinc/36/11/85/140361185.db2.gz BANHPQDSMCRHAH-UHFFFAOYSA-N 1 0 294.355 1.726 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000261609719 140363987 /nfs/dbraw/zinc/36/39/87/140363987.db2.gz APCSJGNRXIVNCP-GHMZBOCLSA-N 1 0 293.323 1.169 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2C2CCC2)c1 ZINC000304287124 140524888 /nfs/dbraw/zinc/52/48/88/140524888.db2.gz AZIRIETYXCBWPB-KBPBESRZSA-N 1 0 294.355 1.417 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[C@@H]1CCC[NH2+]C1 ZINC000091559094 146985511 /nfs/dbraw/zinc/98/55/11/146985511.db2.gz GTNDGAFNDXOVPL-NSHDSACASA-N 1 0 281.360 1.921 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262851371 149121817 /nfs/dbraw/zinc/12/18/17/149121817.db2.gz KBIOCAQRZKJRKK-UWVGGRQHSA-N 1 0 293.323 1.474 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000310822468 149202401 /nfs/dbraw/zinc/20/24/01/149202401.db2.gz BXDDNQMXCWORQG-MRVPVSSYSA-N 1 0 252.274 1.454 20 5 CDBDRO C[NH2+]C[C@H](C)CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000311455668 149213770 /nfs/dbraw/zinc/21/37/70/149213770.db2.gz DLUDNLLXPHXSPP-ZETCQYMHSA-N 1 0 281.341 1.867 20 5 CDBDRO CCC(CC)(C[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)OC ZINC000343491819 152201084 /nfs/dbraw/zinc/20/10/84/152201084.db2.gz GSXFUOFUUMEGDF-UHFFFAOYSA-N 1 0 298.343 1.397 20 5 CDBDRO Cc1n[nH]c(C(=O)NCC2CCC(C[NH3+])CC2)c1[N+](=O)[O-] ZINC000343594230 152237239 /nfs/dbraw/zinc/23/72/39/152237239.db2.gz AEGFOHZFRWVQSZ-UHFFFAOYSA-N 1 0 295.343 1.121 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)c1 ZINC000297462425 292282333 /nfs/dbraw/zinc/28/23/33/292282333.db2.gz XPMJUAPIONYHGO-ZYHUDNBSSA-N 1 0 277.324 1.855 20 5 CDBDRO C[NH2+][C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000346681259 153270693 /nfs/dbraw/zinc/27/06/93/153270693.db2.gz CQQAJHIXWJVSKZ-RYWCDNDXSA-N 1 0 261.325 1.902 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000261631267 292282879 /nfs/dbraw/zinc/28/28/79/292282879.db2.gz WAJPKIPGGMUFIW-GXSJLCMTSA-N 1 0 263.297 1.465 20 5 CDBDRO [NH3+]CCN(Cc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000348919338 154007185 /nfs/dbraw/zinc/00/71/85/154007185.db2.gz GDEYELINHCJZME-UHFFFAOYSA-N 1 0 272.308 1.955 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000349945015 154282531 /nfs/dbraw/zinc/28/25/31/154282531.db2.gz BNPQPQSYWJFNJQ-VIFPVBQESA-N 1 0 292.339 1.636 20 5 CDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000375802691 160420887 /nfs/dbraw/zinc/42/08/87/160420887.db2.gz VSUJVWWNNRKLGZ-OLZOCXBDSA-N 1 0 293.371 1.350 20 5 CDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000359254183 158184658 /nfs/dbraw/zinc/18/46/58/158184658.db2.gz ZLYAHMXGIJKBHC-VIFPVBQESA-N 1 0 283.353 1.870 20 5 CDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@]1(CO)CCOC1 ZINC000359576686 158293718 /nfs/dbraw/zinc/29/37/18/158293718.db2.gz FFMHMCPDJOSQQQ-AWEZNQCLSA-N 1 0 296.323 1.057 20 5 CDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@]1(CO)CCOC1 ZINC000359828520 158391416 /nfs/dbraw/zinc/39/14/16/158391416.db2.gz DBAAUYATKDBBJC-AWEZNQCLSA-N 1 0 296.323 1.057 20 5 CDBDRO Cc1cnc(N(C)CC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000361262254 158776696 /nfs/dbraw/zinc/77/66/96/158776696.db2.gz LZPAHGQONSOPST-UHFFFAOYSA-N 1 0 264.329 1.830 20 5 CDBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000362861809 159255461 /nfs/dbraw/zinc/25/54/61/159255461.db2.gz GDPPLFZMJVMQOR-DGCLKSJQSA-N 1 0 291.351 1.451 20 5 CDBDRO C[C@]1([NH2+]CCn2ccc([N+](=O)[O-])n2)CCO[C@H]1C1CC1 ZINC000373280913 160188478 /nfs/dbraw/zinc/18/84/78/160188478.db2.gz NKEITZPXMAHDNU-STQMWFEESA-N 1 0 280.328 1.339 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000373277115 160188536 /nfs/dbraw/zinc/18/85/36/160188536.db2.gz FQDUYMVLTLEVAD-OAHLLOKOSA-N 1 0 292.335 1.820 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000375066901 160342173 /nfs/dbraw/zinc/34/21/73/160342173.db2.gz XMZADHWVCRDDRA-AAEUAGOBSA-N 1 0 295.314 1.296 20 5 CDBDRO CC[NH+]1CCC(Nc2c([N+](=O)[O-])ncn2C)CC1 ZINC000008337024 170331928 /nfs/dbraw/zinc/33/19/28/170331928.db2.gz WMAGFJZDUUWNFB-UHFFFAOYSA-N 1 0 253.306 1.225 20 5 CDBDRO CO[C@H](C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285353691 196259425 /nfs/dbraw/zinc/25/94/25/196259425.db2.gz VJHNXPJLGYLTJM-RKDXNWHRSA-N 1 0 253.302 1.863 20 5 CDBDRO CO[C@@H](C)C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000285550162 196323751 /nfs/dbraw/zinc/32/37/51/196323751.db2.gz GJKMUONQOMTPNW-WCQYABFASA-N 1 0 298.339 1.301 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000038049528 174060533 /nfs/dbraw/zinc/06/05/33/174060533.db2.gz ZFJUNABHOFRMPO-JRNZPDHYSA-N 1 0 289.335 1.994 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000038050119 174061487 /nfs/dbraw/zinc/06/14/87/174061487.db2.gz IZSCUVZBGGAMSQ-VXGBXAGGSA-N 1 0 299.352 1.143 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2COCCO2)c1 ZINC000038060798 174071751 /nfs/dbraw/zinc/07/17/51/174071751.db2.gz BTXHOZFYUXKREQ-LLVKDONJSA-N 1 0 286.715 1.753 20 5 CDBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1cc(F)ccc1[N+](=O)[O-] ZINC000044491971 175181127 /nfs/dbraw/zinc/18/11/27/175181127.db2.gz IGLKWLHIEQRABI-SNVBAGLBSA-N 1 0 281.287 1.606 20 5 CDBDRO COc1ccc(C(=O)NC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000044501918 175185853 /nfs/dbraw/zinc/18/58/53/175185853.db2.gz MKNGSFRXCCDLHI-SNVBAGLBSA-N 1 0 293.323 1.333 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000044528467 175193307 /nfs/dbraw/zinc/19/33/07/175193307.db2.gz HNOHCBHYYBACSX-NSHDSACASA-N 1 0 277.324 1.335 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000070575585 175990951 /nfs/dbraw/zinc/99/09/51/175990951.db2.gz JYAZGRJQOGSIOW-NEPJUHHUSA-N 1 0 277.324 1.729 20 5 CDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1C)[C@H]1CC[NH2+]C1 ZINC000071312416 176119354 /nfs/dbraw/zinc/11/93/54/176119354.db2.gz YBJUXVKTBIHXBJ-LBPRGKRZSA-N 1 0 277.324 1.727 20 5 CDBDRO CCCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CC[NH2+]C1 ZINC000071315473 176121542 /nfs/dbraw/zinc/12/15/42/176121542.db2.gz NHIQUDRVZPJILZ-SECBINFHSA-N 1 0 266.301 1.137 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000071396995 176150963 /nfs/dbraw/zinc/15/09/63/176150963.db2.gz YENQQQGSQDMDPT-VIFPVBQESA-N 1 0 267.260 1.216 20 5 CDBDRO C[C@@H]1C[N@H+](C)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000071889229 176290999 /nfs/dbraw/zinc/29/09/99/176290999.db2.gz XNWQXQOWROTARO-GFCCVEGCSA-N 1 0 263.341 1.773 20 5 CDBDRO CC[C@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000359133706 287445398 /nfs/dbraw/zinc/44/53/98/287445398.db2.gz AIPUSXQYDGQLDV-CYBMUJFWSA-N 1 0 293.367 1.936 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000313289302 260279017 /nfs/dbraw/zinc/27/90/17/260279017.db2.gz FMWHRSGGFNUIIH-AEZGRPFRSA-N 1 0 277.324 1.852 20 5 CDBDRO C[C@@H]([NH3+])CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000214354677 260287806 /nfs/dbraw/zinc/28/78/06/260287806.db2.gz GABWSKHSPOBJJQ-WWQCOOJYSA-N 1 0 263.297 1.462 20 5 CDBDRO Cc1c(CC(=O)NCC[NH2+]C(C)(C)C)cccc1[N+](=O)[O-] ZINC000161840030 261261580 /nfs/dbraw/zinc/26/15/80/261261580.db2.gz WCPKILYNWMCVBP-UHFFFAOYSA-N 1 0 293.367 1.950 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]([NH+](C)C)C1 ZINC000360950034 424598315 /nfs/dbraw/zinc/59/83/15/424598315.db2.gz WAQGQSPUNHBNJM-NSHDSACASA-N 1 0 281.360 1.650 20 5 CDBDRO [NH3+]CC[C@@H](NC(=O)/C=C\c1ccccc1[N+](=O)[O-])C(F)F ZINC000394769545 270338890 /nfs/dbraw/zinc/33/88/90/270338890.db2.gz DXERUVVOYQDRMO-WWQCOOJYSA-N 1 0 299.277 1.707 20 5 CDBDRO CC(C)[C@H](CNc1ncc([N+](=O)[O-])cn1)[NH+]1CCCC1 ZINC000273626219 273553768 /nfs/dbraw/zinc/55/37/68/273553768.db2.gz PKXLUUDJYJAPIV-LBPRGKRZSA-N 1 0 279.344 1.917 20 5 CDBDRO C[NH2+]C[C@H](C)CNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000420188569 273966819 /nfs/dbraw/zinc/96/68/19/273966819.db2.gz FLQSKWNKGOAZFC-VIFPVBQESA-N 1 0 281.312 1.649 20 5 CDBDRO COc1cc(N2CC[NH2+]C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000261985932 274096488 /nfs/dbraw/zinc/09/64/88/274096488.db2.gz ONBAOACZNKWBCZ-QMMMGPOBSA-N 1 0 269.276 1.541 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000262827393 274377358 /nfs/dbraw/zinc/37/73/58/274377358.db2.gz QBFZHHJFRCSOJU-SFYZADRCSA-N 1 0 269.326 1.384 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000178634028 274502992 /nfs/dbraw/zinc/50/29/92/274502992.db2.gz VQEVTULFJINTIY-ZETCQYMHSA-N 1 0 271.704 1.715 20 5 CDBDRO Cc1nc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000261613709 274842151 /nfs/dbraw/zinc/84/21/51/274842151.db2.gz SWPJIPMINRXWLF-MNOVXSKESA-N 1 0 262.313 1.486 20 5 CDBDRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000184824444 274936523 /nfs/dbraw/zinc/93/65/23/274936523.db2.gz VKGHUNLVZFXMJV-BXKDBHETSA-N 1 0 295.314 1.868 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000041028512 274956233 /nfs/dbraw/zinc/95/62/33/274956233.db2.gz OPCBDEBTZQNREA-SECBINFHSA-N 1 0 283.715 1.812 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000307896061 275879472 /nfs/dbraw/zinc/87/94/72/275879472.db2.gz LKCCSIBNTQYFCM-LLVKDONJSA-N 1 0 281.287 1.604 20 5 CDBDRO C[N@@H+]1CCC[C@]2(CCN(c3ncc([N+](=O)[O-])s3)C2)C1 ZINC000292773157 277087607 /nfs/dbraw/zinc/08/76/07/277087607.db2.gz LFUQMXKSPOOMSM-LBPRGKRZSA-N 1 0 282.369 1.973 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070304823 277270234 /nfs/dbraw/zinc/27/02/34/277270234.db2.gz DHJSECANDCSVMT-UHFFFAOYSA-N 1 0 271.704 1.540 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000430559780 277285589 /nfs/dbraw/zinc/28/55/89/277285589.db2.gz YAGZOKXSEJODSF-SNVBAGLBSA-N 1 0 267.304 1.918 20 5 CDBDRO C[NH2+]C[C@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000071145937 277286290 /nfs/dbraw/zinc/28/62/90/277286290.db2.gz GLARQAIMGFBVRW-LLVKDONJSA-N 1 0 292.339 1.075 20 5 CDBDRO CSCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332682258 278130465 /nfs/dbraw/zinc/13/04/65/278130465.db2.gz IDORWQFZYOVPCT-UHFFFAOYSA-N 1 0 253.327 1.711 20 5 CDBDRO C[C@@H](CC(N)=O)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000161371258 278224141 /nfs/dbraw/zinc/22/41/41/278224141.db2.gz DLADFMAVXLFJQM-IUCAKERBSA-N 1 0 251.286 1.509 20 5 CDBDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000412031935 278324290 /nfs/dbraw/zinc/32/42/90/278324290.db2.gz BJYOHJCSNWRPSZ-VIFPVBQESA-N 1 0 252.318 1.949 20 5 CDBDRO C[C@@H](O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192588425 278403905 /nfs/dbraw/zinc/40/39/05/278403905.db2.gz VULJCSLTMYFXLP-RNCFNFMXSA-N 1 0 250.298 1.943 20 5 CDBDRO Cc1c(C(=O)N2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000041028693 278585495 /nfs/dbraw/zinc/58/54/95/278585495.db2.gz IQZCWCKHJMMUKP-JTQLQIEISA-N 1 0 263.297 1.467 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331974966 279030094 /nfs/dbraw/zinc/03/00/94/279030094.db2.gz NLKUZZYCTZUTQN-GWCFXTLKSA-N 1 0 289.335 1.872 20 5 CDBDRO C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CCC[N@@H+]1C ZINC000342361261 279124340 /nfs/dbraw/zinc/12/43/40/279124340.db2.gz SKTCJSSCKDBDIF-PSASIEDQSA-N 1 0 266.301 1.135 20 5 CDBDRO C[C@H](CC(N)=O)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447582011 279250352 /nfs/dbraw/zinc/25/03/52/279250352.db2.gz XCDUDEHXPRTEHH-MXWKQRLJSA-N 1 0 295.343 1.129 20 5 CDBDRO CC[N@H+](C)CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000112926733 279333527 /nfs/dbraw/zinc/33/35/27/279333527.db2.gz VUHIGJNVCNHOTC-BQYQJAHWSA-N 1 0 277.324 1.676 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000449751235 279382530 /nfs/dbraw/zinc/38/25/30/279382530.db2.gz BKUPDBGAULCFCO-KGYLQXTDSA-N 1 0 291.351 1.769 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000124765498 279458368 /nfs/dbraw/zinc/45/83/68/279458368.db2.gz DYPFNCLIGXHIQA-ONGXEEELSA-N 1 0 263.297 1.547 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H]1C[NH3+] ZINC000070176935 279664750 /nfs/dbraw/zinc/66/47/50/279664750.db2.gz OSHJAJDIRDRBNS-TVQRCGJNSA-N 1 0 295.314 1.933 20 5 CDBDRO C[C@H]1C[C@H](Nc2c([N+](=O)[O-])ncn2C)C[N@@H+]1C1CC1 ZINC000267895295 280013591 /nfs/dbraw/zinc/01/35/91/280013591.db2.gz UBSKSFKWZMUUAR-IUCAKERBSA-N 1 0 265.317 1.365 20 5 CDBDRO CC(C)[N@H+](CCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000195128630 280070927 /nfs/dbraw/zinc/07/09/27/280070927.db2.gz MARLQIDOAMUELO-ZDUSSCGKSA-N 1 0 298.339 1.037 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227076009 280664684 /nfs/dbraw/zinc/66/46/84/280664684.db2.gz HJZJXBJYKTXORU-GXSJLCMTSA-N 1 0 250.302 1.472 20 5 CDBDRO COc1ccc(CNC[C@@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000415045205 280739644 /nfs/dbraw/zinc/73/96/44/280739644.db2.gz SYARJUFXYIWLJU-LBPRGKRZSA-N 1 0 295.339 1.072 20 5 CDBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000520999652 281064573 /nfs/dbraw/zinc/06/45/73/281064573.db2.gz OUDRTHXSDVCNKI-CQSZACIVSA-N 1 0 276.340 1.912 20 5 CDBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c([N+](=O)[O-])ncn1C ZINC000360438324 281194886 /nfs/dbraw/zinc/19/48/86/281194886.db2.gz WUQVBKLZLFKFCZ-NWDGAFQWSA-N 1 0 293.371 1.387 20 5 CDBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000557776646 290368681 /nfs/dbraw/zinc/36/86/81/290368681.db2.gz CXECUJYCSBOUTN-JTQLQIEISA-N 1 0 295.343 1.264 20 5 CDBDRO CC[NH2+]CCCNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000562761339 293192677 /nfs/dbraw/zinc/19/26/77/293192677.db2.gz OHDQCSCABINFNL-UHFFFAOYSA-N 1 0 296.327 1.725 20 5 CDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CC[C@H]1CC[NH2+]C1 ZINC000568878174 294117171 /nfs/dbraw/zinc/11/71/71/294117171.db2.gz OIBINZSFLHHTOE-SECBINFHSA-N 1 0 277.280 1.502 20 5 CDBDRO CNc1ccc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000569224478 294177654 /nfs/dbraw/zinc/17/76/54/294177654.db2.gz GQMDDNXSVWBRKP-RKDXNWHRSA-N 1 0 280.328 1.492 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000572524461 294640888 /nfs/dbraw/zinc/64/08/88/294640888.db2.gz QIRPJBWYSOJVIU-JLLWLGSASA-N 1 0 277.324 1.818 20 5 CDBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000574851235 295063115 /nfs/dbraw/zinc/06/31/15/295063115.db2.gz YGWXEUDLDUMOAF-NSHDSACASA-N 1 0 296.371 1.784 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000044540712 295265491 /nfs/dbraw/zinc/26/54/91/295265491.db2.gz JMFHZGAWANRXQY-SNVBAGLBSA-N 1 0 281.287 1.687 20 5 CDBDRO CC(C)(O)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566616267 316641910 /nfs/dbraw/zinc/64/19/10/316641910.db2.gz XPWHVUSOLBSCNL-UHFFFAOYSA-N 1 0 295.339 1.674 20 5 CDBDRO CC[C@H](COC)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566850819 316689919 /nfs/dbraw/zinc/68/99/19/316689919.db2.gz DMEDPSMJQHYVEA-LLVKDONJSA-N 1 0 295.339 1.938 20 5 CDBDRO CO[C@H](C)CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000574982628 316945802 /nfs/dbraw/zinc/94/58/02/316945802.db2.gz FTRLKVIHASWJPR-YPMHNXCESA-N 1 0 298.339 1.349 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000577391532 317323009 /nfs/dbraw/zinc/32/30/09/317323009.db2.gz PHCMIKQCQJZFDT-GWCFXTLKSA-N 1 0 293.323 1.088 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180765517 323218676 /nfs/dbraw/zinc/21/86/76/323218676.db2.gz XZFUPNOHXYHNFO-JTQLQIEISA-N 1 0 292.339 1.249 20 5 CDBDRO Cc1nn(CCCN2CC[NH+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000181298165 323232981 /nfs/dbraw/zinc/23/29/81/323232981.db2.gz WATVHBSAFUIJGF-UHFFFAOYSA-N 1 0 281.360 1.046 20 5 CDBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCO1 ZINC000182387154 323278362 /nfs/dbraw/zinc/27/83/62/323278362.db2.gz NLNVFTCEURETEP-STQMWFEESA-N 1 0 295.339 1.304 20 5 CDBDRO CNc1ccc(C(=O)N2CC([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000382324378 323637392 /nfs/dbraw/zinc/63/73/92/323637392.db2.gz XMDRSFURKKVCPL-UHFFFAOYSA-N 1 0 278.312 1.023 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000578349815 323907535 /nfs/dbraw/zinc/90/75/35/323907535.db2.gz RAWSPIADVXOKBO-NSHDSACASA-N 1 0 277.324 1.646 20 5 CDBDRO CC(C)COC[C@@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000578640941 323985497 /nfs/dbraw/zinc/98/54/97/323985497.db2.gz CSCGUHZZCWFDGG-AWEZNQCLSA-N 1 0 296.367 1.760 20 5 CDBDRO CC1(F)CC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000582661202 325018010 /nfs/dbraw/zinc/01/80/10/325018010.db2.gz UFMDYTWFILVYTH-KHJSKFAYSA-N 1 0 298.314 1.815 20 5 CDBDRO CC(C)[C@@H]([NH3+])C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000583932520 325269956 /nfs/dbraw/zinc/26/99/56/325269956.db2.gz TUAYHRNHMPIAIY-GFCCVEGCSA-N 1 0 281.312 1.073 20 5 CDBDRO COCC[C@@H]([NH3+])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000052808103 521823291 /nfs/dbraw/zinc/82/32/91/521823291.db2.gz NEFWPUAOTUVKSN-BXKDBHETSA-N 1 0 281.312 1.136 20 5 CDBDRO C[C@@H]1CCC[C@@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304275610 533762422 /nfs/dbraw/zinc/76/24/22/533762422.db2.gz CQEQICZXJSFTCV-YRGRVCCFSA-N 1 0 296.371 1.663 20 5 CDBDRO CC(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000050993351 519647072 /nfs/dbraw/zinc/64/70/72/519647072.db2.gz WRPRVVVILIRCHZ-UHFFFAOYSA-N 1 0 277.324 1.695 20 5 CDBDRO CCC[NH2+]CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000236911456 519914872 /nfs/dbraw/zinc/91/48/72/519914872.db2.gz GMXYVPMWSOVJFA-UHFFFAOYSA-N 1 0 294.355 1.513 20 5 CDBDRO CCC[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000069091841 521475748 /nfs/dbraw/zinc/47/57/48/521475748.db2.gz RPUQWVNZXBXEIA-UHFFFAOYSA-N 1 0 265.313 1.899 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337256698 523684577 /nfs/dbraw/zinc/68/45/77/523684577.db2.gz SRGGCLYJFOCBND-LLVKDONJSA-N 1 0 293.323 1.644 20 5 CDBDRO C[NH+](C)CCCNC(=O)CSc1cccc([N+](=O)[O-])c1 ZINC000337773754 524056546 /nfs/dbraw/zinc/05/65/46/524056546.db2.gz WNXRJMBLBHEIHO-UHFFFAOYSA-N 1 0 297.380 1.755 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH3+] ZINC000235647921 524535098 /nfs/dbraw/zinc/53/50/98/524535098.db2.gz PIPCPFUSFVMAIL-CPCISQLKSA-N 1 0 267.260 1.153 20 5 CDBDRO C[C@]1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000062899060 525206546 /nfs/dbraw/zinc/20/65/46/525206546.db2.gz VFGJCYAGJHKYSY-AWEZNQCLSA-N 1 0 277.324 1.253 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000236263778 527205161 /nfs/dbraw/zinc/20/51/61/527205161.db2.gz FOZSSGCEVBUXPM-CYBMUJFWSA-N 1 0 295.314 1.981 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@](O)(C3CC3)C2)cc1 ZINC000365834045 527348604 /nfs/dbraw/zinc/34/86/04/527348604.db2.gz ACFJNEZJUNRSHX-AWEZNQCLSA-N 1 0 262.309 1.942 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000184976325 527368387 /nfs/dbraw/zinc/36/83/87/527368387.db2.gz YGXMPUJNZAPKNG-RAIGVLPGSA-N 1 0 275.308 1.404 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000307888865 527792535 /nfs/dbraw/zinc/79/25/35/527792535.db2.gz AYXPBDHIMOVFPM-NSHDSACASA-N 1 0 281.287 1.604 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000307914484 527795001 /nfs/dbraw/zinc/79/50/01/527795001.db2.gz OHTUADFDVXDVLC-MRVPVSSYSA-N 1 0 269.326 1.527 20 5 CDBDRO CC(C)C[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304306266 528591024 /nfs/dbraw/zinc/59/10/24/528591024.db2.gz KBGJUPRWLNAJEP-OCCSQVGLSA-N 1 0 296.371 1.663 20 5 CDBDRO CC(C)C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000174816830 535054712 /nfs/dbraw/zinc/05/47/12/535054712.db2.gz MXWYVDBDRCBMKJ-UHFFFAOYSA-N 1 0 252.318 1.912 20 5 CDBDRO CC(C)([NH3+])CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417226416 535204536 /nfs/dbraw/zinc/20/45/36/535204536.db2.gz KNHCBCBNOOTHIN-UHFFFAOYSA-N 1 0 280.328 1.174 20 5 CDBDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000237034153 535953242 /nfs/dbraw/zinc/95/32/42/535953242.db2.gz LUWVQTPPCSKXKA-GWCFXTLKSA-N 1 0 279.340 1.627 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000261760846 535968800 /nfs/dbraw/zinc/96/88/00/535968800.db2.gz NRJHYBMIRKFJLC-GXSJLCMTSA-N 1 0 281.360 1.541 20 5 CDBDRO COc1ccc(CNC(=O)NCCCC[NH3+])cc1[N+](=O)[O-] ZINC000417183384 536881134 /nfs/dbraw/zinc/88/11/34/536881134.db2.gz AWMQNBVMAUYLJL-UHFFFAOYSA-N 1 0 296.327 1.142 20 5 CDBDRO CN(Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000759421321 576387659 /nfs/dbraw/zinc/38/76/59/576387659.db2.gz CGHPSPWDLGNZGQ-LLVKDONJSA-N 1 0 283.715 1.569 20 5 CDBDRO CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000750038210 576972795 /nfs/dbraw/zinc/97/27/95/576972795.db2.gz AEFVTHACGLIVIH-SWLSCSKDSA-N 1 0 294.351 1.987 20 5 CDBDRO C[NH+](C)CCSc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821587389 606761702 /nfs/dbraw/zinc/76/17/02/606761702.db2.gz VEBNPAVVCZZPNJ-UHFFFAOYSA-N 1 0 294.340 1.429 20 5 CDBDRO C[C@@H]1COC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000932495077 617316646 /nfs/dbraw/zinc/31/66/46/617316646.db2.gz XIXRAZHPVPNNAJ-MFKMUULPSA-N 1 0 293.323 1.182 20 5 CDBDRO C[C@H]1COC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000932495555 617316736 /nfs/dbraw/zinc/31/67/36/617316736.db2.gz CIHWXJVOYYUBQK-KWQFWETISA-N 1 0 277.280 1.861 20 5 CDBDRO CCc1onc(C)c1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000893134384 617402693 /nfs/dbraw/zinc/40/26/93/617402693.db2.gz KVFWECCRHMAGLA-UHFFFAOYSA-N 1 0 279.300 1.440 20 5 CDBDRO CC(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000981138157 614031181 /nfs/dbraw/zinc/03/11/81/614031181.db2.gz NKOSLTBTKVZYIJ-CHWSQXEVSA-N 1 0 283.372 1.232 20 5 CDBDRO O=[N+]([O-])c1cccc(CCN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c1 ZINC000925628995 617576310 /nfs/dbraw/zinc/57/63/10/617576310.db2.gz JJLCPYRQNQPTEB-FHXAZYNBSA-N 1 0 287.363 1.723 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NCC[N@H+]1CC=CCC1 ZINC000893612463 617669759 /nfs/dbraw/zinc/66/97/59/617669759.db2.gz QEYYRCKHBUBYGM-UHFFFAOYSA-N 1 0 251.290 1.002 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000891949052 617817829 /nfs/dbraw/zinc/81/78/29/617817829.db2.gz KLSQASWUOWNDPC-UHFFFAOYSA-N 1 0 295.387 1.887 20 5 CDBDRO COCCOC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000892939657 617935635 /nfs/dbraw/zinc/93/56/35/617935635.db2.gz UGAJIXWVKOGMAQ-LLVKDONJSA-N 1 0 298.339 1.745 20 5 CDBDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000922590279 618274592 /nfs/dbraw/zinc/27/45/92/618274592.db2.gz IFSXBNOPAJRMFK-AWEZNQCLSA-N 1 0 293.367 1.795 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc2nonc2c1[N+](=O)[O-] ZINC000894247492 618752883 /nfs/dbraw/zinc/75/28/83/618752883.db2.gz GEFVAPFOEYIRHI-VIFPVBQESA-N 1 0 291.311 1.661 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000894357592 618817860 /nfs/dbraw/zinc/81/78/60/618817860.db2.gz YLRVPILOCCLCII-UWVGGRQHSA-N 1 0 267.333 1.469 20 5 CDBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CCN2C)c1[N+](=O)[O-] ZINC000896595820 620161233 /nfs/dbraw/zinc/16/12/33/620161233.db2.gz PITAXYIIFDWJPU-JTQLQIEISA-N 1 0 281.312 1.103 20 5 CDBDRO CCN1CCC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000896729204 620214160 /nfs/dbraw/zinc/21/41/60/620214160.db2.gz MUZFFUVMSNPNCI-AWEZNQCLSA-N 1 0 291.351 1.738 20 5 CDBDRO CC[NH+](CC)[C@H](CNCC[N+](=O)[O-])c1ccccc1 ZINC000899859980 622486438 /nfs/dbraw/zinc/48/64/38/622486438.db2.gz OHLBQEIEGAOIPP-CQSZACIVSA-N 1 0 265.357 1.936 20 5 CDBDRO [NH3+][C@@]1(CO)CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000900376001 622951435 /nfs/dbraw/zinc/95/14/35/622951435.db2.gz SADGDPREZWZZGL-LBPRGKRZSA-N 1 0 285.731 1.538 20 5 CDBDRO NOCCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000902422968 624791186 /nfs/dbraw/zinc/79/11/86/624791186.db2.gz HOFJHYPBSPGDDF-CYBMUJFWSA-N 1 0 265.313 1.842 20 5 CDBDRO C[C@@H]1[C@H]([NH2+]CC[N+](=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC000905215882 626695769 /nfs/dbraw/zinc/69/57/69/626695769.db2.gz AWJTWEBRODBPMG-GHMZBOCLSA-N 1 0 287.360 1.641 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911756374 629464704 /nfs/dbraw/zinc/46/47/04/629464704.db2.gz ZWGBHZHASOBLSD-VIFPVBQESA-N 1 0 295.364 1.799 20 5 CDBDRO CNC(=O)[C@H](C)[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170315866 1162335680 /nfs/dbraw/zinc/33/56/80/1162335680.db2.gz YTGDJXMSICNKPC-ZJUUUORDSA-N 1 0 295.339 1.259 20 5 CDBDRO Cc1c(F)cnc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001170564326 1162928554 /nfs/dbraw/zinc/92/85/54/1162928554.db2.gz PWPQHAQZMQHNCC-WPRPVWTQSA-N 1 0 284.291 1.226 20 5 CDBDRO CC(C)(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776078 1159555651 /nfs/dbraw/zinc/55/56/51/1159555651.db2.gz WIJWSQGCTOSBNJ-LBELIVKGSA-N 1 0 295.383 1.134 20 5 CDBDRO CC(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001019994067 1159565630 /nfs/dbraw/zinc/56/56/30/1159565630.db2.gz CKFQATUXEAIEIL-JOCQHMNTSA-N 1 0 291.351 1.988 20 5 CDBDRO NC(=[NH2+])c1nccn1-c1ncc([N+](=O)[O-])cc1Cl ZINC001157621731 1162241533 /nfs/dbraw/zinc/24/15/33/1162241533.db2.gz XFGMWKGQDRXUEP-UHFFFAOYSA-N 1 0 266.648 1.113 20 5 CDBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001607084313 1164073563 /nfs/dbraw/zinc/07/35/63/1164073563.db2.gz ZKRHCQUOQQPARX-DTORHVGOSA-N 1 0 286.295 1.227 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000814937976 1164102036 /nfs/dbraw/zinc/10/20/36/1164102036.db2.gz FCOGAQPLBHSJQP-NSHDSACASA-N 1 0 289.339 1.773 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001155514946 1167205404 /nfs/dbraw/zinc/20/54/04/1167205404.db2.gz NLKJQAGRNZJJIE-RAIGVLPGSA-N 1 0 292.339 1.335 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001574099006 1170879944 /nfs/dbraw/zinc/87/99/44/1170879944.db2.gz PJJJSPJUFNCVTG-MWLCHTKSSA-N 1 0 263.297 1.382 20 5 CDBDRO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[NH2+]CC1 ZINC001574428097 1170980234 /nfs/dbraw/zinc/98/02/34/1170980234.db2.gz AJUNVHWHDQHRAX-QWHCGFSZSA-N 1 0 275.308 1.130 20 5 CDBDRO C[C@H]([NH3+])CONC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001576159512 1171345680 /nfs/dbraw/zinc/34/56/80/1171345680.db2.gz QUQYHCCSYZDTEP-AXTRIDKLSA-N 1 0 279.296 1.093 20 5 CDBDRO C[C@@H](NC(=O)N1C[C@@H]([NH3+])C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001576607930 1171466846 /nfs/dbraw/zinc/46/68/46/1171466846.db2.gz LMFIEOMATWYRAB-UMNHJUIQSA-N 1 0 292.339 1.787 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1OC(=O)C1(C)C[NH2+]C1 ZINC001579734641 1172249966 /nfs/dbraw/zinc/24/99/66/1172249966.db2.gz WBEHTORCXHUNEW-UHFFFAOYSA-N 1 0 250.254 1.418 20 5 CDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001580436145 1172434809 /nfs/dbraw/zinc/43/48/09/1172434809.db2.gz PNZVEYZNSJZVPB-ZKCHVHJHSA-N 1 0 296.302 1.316 20 5 CDBDRO O=[N+]([O-])c1cc(Br)cnc1N1CC2(C[NH2+]C2)C1 ZINC001580874599 1172556930 /nfs/dbraw/zinc/55/69/30/1172556930.db2.gz DHPAMRSAHQKGCP-UHFFFAOYSA-N 1 0 299.128 1.162 20 5 CDBDRO C[NH2+]C(C)(C)CNc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-] ZINC001591214758 1173592244 /nfs/dbraw/zinc/59/22/44/1173592244.db2.gz BRHFRMXIXCGAMF-UHFFFAOYSA-N 1 0 297.344 1.246 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(NC[C@H]2CCCC[NH2+]2)n1 ZINC000134242210 1175814227 /nfs/dbraw/zinc/81/42/27/1175814227.db2.gz BGCAHJOCWHYZKU-SECBINFHSA-N 1 0 266.301 1.552 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000155922863 1178168808 /nfs/dbraw/zinc/16/88/08/1178168808.db2.gz MJBAHVZIFIHYRR-JTQLQIEISA-N 1 0 265.313 1.649 20 5 CDBDRO CC(C)C(C)(C)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000232696450 1178195931 /nfs/dbraw/zinc/19/59/31/1178195931.db2.gz MBYKFIANLGWDQU-GFCCVEGCSA-N 1 0 284.360 1.424 20 5 CDBDRO CC(C)C[NH+]1CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001164653435 719334502 /nfs/dbraw/zinc/33/45/02/719334502.db2.gz CKKZYAKXZCRWTD-UHFFFAOYSA-N 1 0 279.344 1.350 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(N)n2)C1 ZINC000167842603 721892861 /nfs/dbraw/zinc/89/28/61/721892861.db2.gz CEQVPDPRSXCICK-VIFPVBQESA-N 1 0 265.317 1.102 20 5 CDBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)c1cc([N+](=O)[O-])cn1C ZINC000845668800 828368728 /nfs/dbraw/zinc/36/87/28/828368728.db2.gz DGINLPJHFREJAJ-JTQLQIEISA-N 1 0 281.312 1.574 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@]2(CO)CCOC2)cc1Cl ZINC000783668705 822684871 /nfs/dbraw/zinc/68/48/71/822684871.db2.gz XNUHAWIGBXURGN-LBPRGKRZSA-N 1 0 286.715 1.489 20 5 CDBDRO CC[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000886838496 822766415 /nfs/dbraw/zinc/76/64/15/822766415.db2.gz YSJIHHAIOHBXOX-PWSUYJOCSA-N 1 0 264.329 1.549 20 5 CDBDRO C[C@H](O)[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852559230 828537254 /nfs/dbraw/zinc/53/72/54/828537254.db2.gz HJLYJFKJMJDNEM-GDLCADMTSA-N 1 0 280.324 1.473 20 5 CDBDRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000840334751 823807620 /nfs/dbraw/zinc/80/76/20/823807620.db2.gz GGVIPPJWWHORCM-OUCADQQQSA-N 1 0 289.335 1.171 20 5 CDBDRO C[NH2+]C1(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000863923661 823846829 /nfs/dbraw/zinc/84/68/29/823846829.db2.gz ZUUGWXJQPPBSNV-UHFFFAOYSA-N 1 0 278.312 1.049 20 5 CDBDRO C[C@@H](CO)CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000228353018 823856072 /nfs/dbraw/zinc/85/60/72/823856072.db2.gz QCHBJSQUXRYEGL-BXUZGUMPSA-N 1 0 282.340 1.626 20 5 CDBDRO CCOc1ccc(C(=O)NOCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000833859170 823863677 /nfs/dbraw/zinc/86/36/77/823863677.db2.gz BRXFXRASBBNPHK-UHFFFAOYSA-N 1 0 297.311 1.217 20 5 CDBDRO CN(C)C(=O)CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818975513 823872667 /nfs/dbraw/zinc/87/26/67/823872667.db2.gz YJNFESNDHIABAJ-CYBMUJFWSA-N 1 0 295.339 1.086 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000845733891 823896758 /nfs/dbraw/zinc/89/67/58/823896758.db2.gz FMTNXSJFRUSDPR-SNVBAGLBSA-N 1 0 296.327 1.207 20 5 CDBDRO CN1CC[C@@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000712527811 823970231 /nfs/dbraw/zinc/97/02/31/823970231.db2.gz HAAUKDVEEUBCOX-MRVPVSSYSA-N 1 0 256.693 1.759 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCCCCO)CC2)n1 ZINC000785862766 823960940 /nfs/dbraw/zinc/96/09/40/823960940.db2.gz IUUIKFBKWQQMLJ-UHFFFAOYSA-N 1 0 296.371 1.981 20 5 CDBDRO C[C@H](CCNc1ccnc(F)c1[N+](=O)[O-])[NH+](C)C ZINC000882599279 824005172 /nfs/dbraw/zinc/00/51/72/824005172.db2.gz UHRKGWAMFBYQIA-MRVPVSSYSA-N 1 0 256.281 1.881 20 5 CDBDRO Cc1c(C[NH2+]CCCN2CCOCC2)cccc1[N+](=O)[O-] ZINC000035648889 824021595 /nfs/dbraw/zinc/02/15/95/824021595.db2.gz ZPFUJAXOHCDKMZ-UHFFFAOYSA-N 1 0 293.367 1.715 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000886580828 824036328 /nfs/dbraw/zinc/03/63/28/824036328.db2.gz ZHHUCHGNYBCBSJ-ISTVAULSSA-N 1 0 280.299 1.937 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC([NH3+])CC1 ZINC000261972350 824049116 /nfs/dbraw/zinc/04/91/16/824049116.db2.gz DSLVWIYSOYTWLD-UHFFFAOYSA-N 1 0 278.312 1.177 20 5 CDBDRO CO[C@H](CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000877522249 824080792 /nfs/dbraw/zinc/08/07/92/824080792.db2.gz MLAJGVJVVQLXQX-CQSZACIVSA-N 1 0 279.340 1.785 20 5 CDBDRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000711691454 824110009 /nfs/dbraw/zinc/11/00/09/824110009.db2.gz JQGBPRJXCCBCJU-MFKMUULPSA-N 1 0 298.364 1.160 20 5 CDBDRO CC(C)[C@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[NH+](C)C ZINC000854497235 824200491 /nfs/dbraw/zinc/20/04/91/824200491.db2.gz LCESPGWWJNFQJK-GFCCVEGCSA-N 1 0 280.328 1.702 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCCOC2)cc1 ZINC000158624131 824237977 /nfs/dbraw/zinc/23/79/77/824237977.db2.gz BFELAESUXCESDZ-BXUZGUMPSA-N 1 0 280.324 1.644 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2(CO)CCCC2)c1 ZINC000843090436 824362955 /nfs/dbraw/zinc/36/29/55/824362955.db2.gz YULYQIDXWZLNHV-CQSZACIVSA-N 1 0 294.351 1.771 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC[C@@H](C)C1 ZINC000878297986 824456948 /nfs/dbraw/zinc/45/69/48/824456948.db2.gz DALWWZIOWIXTOE-JTQLQIEISA-N 1 0 268.317 1.068 20 5 CDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000791055307 824471246 /nfs/dbraw/zinc/47/12/46/824471246.db2.gz ROSZIVKLQGGKCB-NSHDSACASA-N 1 0 260.297 1.800 20 5 CDBDRO COc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c([N+](=O)[O-])cc1C ZINC000853547529 824482543 /nfs/dbraw/zinc/48/25/43/824482543.db2.gz UIZCRZCGGGEGGY-TXEJJXNPSA-N 1 0 291.351 1.910 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H](C[NH+](C)C)C1 ZINC000795080738 824530216 /nfs/dbraw/zinc/53/02/16/824530216.db2.gz MVLCLOMTQOEITA-LBPRGKRZSA-N 1 0 295.387 1.898 20 5 CDBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000776582228 824650474 /nfs/dbraw/zinc/65/04/74/824650474.db2.gz MQTBNZMVRAEEBA-QWHCGFSZSA-N 1 0 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Cc1ccc(CNC(=O)[C@@]2(C)CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000867995393 825425649 /nfs/dbraw/zinc/42/56/49/825425649.db2.gz BZBYPCXHOJBFSH-CQSZACIVSA-N 1 0 277.324 1.662 20 5 CDBDRO COCCOC[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788669378 825495625 /nfs/dbraw/zinc/49/56/25/825495625.db2.gz ZLCDNMXDJRNAPD-QWRGUYRKSA-N 1 0 297.355 1.879 20 5 CDBDRO O=[N+]([O-])c1cn(CN2CCCC2)nc1-c1ccccn1 ZINC000853487014 825497516 /nfs/dbraw/zinc/49/75/16/825497516.db2.gz GZNQDCXYTJXNRR-UHFFFAOYSA-N 1 0 273.296 1.907 20 5 CDBDRO [NH3+]CC12CCC(CC1)CN2Cc1cccnc1[N+](=O)[O-] ZINC000886841527 828792411 /nfs/dbraw/zinc/79/24/11/828792411.db2.gz NSDZVHUOOZGUNL-UHFFFAOYSA-N 1 0 276.340 1.693 20 5 CDBDRO CC(=O)c1c(N(C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000882045466 825552452 /nfs/dbraw/zinc/55/24/52/825552452.db2.gz BMRHIXYWGPYTCP-UHFFFAOYSA-N 1 0 265.313 1.795 20 5 CDBDRO O=C(NCC[NH+]1CCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000040801370 825578723 /nfs/dbraw/zinc/57/87/23/825578723.db2.gz 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20 5 CDBDRO Cc1cc(C(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc([N+](=O)[O-])c1 ZINC001122479681 937935339 /nfs/dbraw/zinc/93/53/39/937935339.db2.gz WIPIVAWGNKDLGR-ITGUQSILSA-N 1 0 275.308 1.193 20 5 CDBDRO COc1cnc(N(C)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001156172743 938326387 /nfs/dbraw/zinc/32/63/87/938326387.db2.gz WQWTVPNKKOPOET-UHFFFAOYSA-N 1 0 266.301 1.187 20 5 CDBDRO Cc1nc(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC001156401844 938362931 /nfs/dbraw/zinc/36/29/31/938362931.db2.gz MUBIHSDPKOGNPG-ZWNOBZJWSA-N 1 0 277.328 1.081 20 5 CDBDRO CC(C)Oc1nc(-n2ccnc2CC[NH3+])ccc1[N+](=O)[O-] ZINC001156483845 938374260 /nfs/dbraw/zinc/37/42/60/938374260.db2.gz FLGPIKZAAMFCMJ-UHFFFAOYSA-N 1 0 291.311 1.464 20 5 CDBDRO Cc1nc(Cl)nc(N(C)[C@@]2(C)CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001156948210 938437781 /nfs/dbraw/zinc/43/77/81/938437781.db2.gz RGFXQMDOWOYTOO-LBPRGKRZSA-N 1 0 299.762 1.925 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(c3cc([N+](=O)[O-])ccn3)C[C@H]21 ZINC001157259719 938470478 /nfs/dbraw/zinc/47/04/78/938470478.db2.gz FSDQAQRPNISPLK-ZYHUDNBSSA-N 1 0 262.313 1.520 20 5 CDBDRO COc1cc(C)nc(NC2(C)CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001157401893 938487090 /nfs/dbraw/zinc/48/70/90/938487090.db2.gz WMYOGFGPBMHPAC-UHFFFAOYSA-N 1 0 280.328 1.861 20 5 CDBDRO COc1cc(-n2ccc3c2CC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001157445327 938492688 /nfs/dbraw/zinc/49/26/88/938492688.db2.gz ZSSNVBBMMXNJMA-UHFFFAOYSA-N 1 0 274.280 1.435 20 5 CDBDRO Cc1cnc(N2CC[C@@](F)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001157809790 938549182 /nfs/dbraw/zinc/54/91/82/938549182.db2.gz TXTQNNNZFPCFOQ-LLVKDONJSA-N 1 0 254.265 1.175 20 5 CDBDRO CCOc1nc(N2CC[C@@](F)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC001157819514 938551494 /nfs/dbraw/zinc/55/14/94/938551494.db2.gz YOFJIHPGVVTYMH-GFCCVEGCSA-N 1 0 284.291 1.266 20 5 CDBDRO C[NH+]1CCN(C(=N)Nc2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001157910780 938561438 /nfs/dbraw/zinc/56/14/38/938561438.db2.gz RAONZXUPNVUIHB-UHFFFAOYSA-N 1 0 298.734 1.237 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1NCC[C@H]1CCC[NH2+]1 ZINC001158627747 938643581 /nfs/dbraw/zinc/64/35/81/938643581.db2.gz OZOAKTATTXGTLZ-MRVPVSSYSA-N 1 0 286.719 1.436 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC2(C1)CCC[NH2+]C2 ZINC001159017366 938690568 /nfs/dbraw/zinc/69/05/68/938690568.db2.gz BRFOLXRFFQHBND-UHFFFAOYSA-N 1 0 283.719 1.228 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1-n1nnc2ccc(C[NH3+])cc21 ZINC001159026316 938692942 /nfs/dbraw/zinc/69/29/42/938692942.db2.gz HTYLILUKELXYAU-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ncc(Cl)cc1[N+](=O)[O-] ZINC001159292481 938718070 /nfs/dbraw/zinc/71/80/70/938718070.db2.gz FWLVTQHYKNJKBI-UHFFFAOYSA-N 1 0 297.702 1.344 20 5 CDBDRO Cc1ccnc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001159497440 938734389 /nfs/dbraw/zinc/73/43/89/938734389.db2.gz NWZBEEGCSRGIOM-UWVGGRQHSA-N 1 0 266.301 1.087 20 5 CDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC001162097294 938955735 /nfs/dbraw/zinc/95/57/35/938955735.db2.gz KYYMYFDVBLMNLS-VIFPVBQESA-N 1 0 299.762 1.349 20 5 CDBDRO [NH3+][C@@H]1Cc2ccccc2N(c2c[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001162847954 939152597 /nfs/dbraw/zinc/15/25/97/939152597.db2.gz BKNIGQHWDRWIHL-LLVKDONJSA-N 1 0 286.291 1.250 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2COCCC23C[NH2+]C3)n1 ZINC001163071248 939190320 /nfs/dbraw/zinc/19/03/20/939190320.db2.gz AQWGQVVABFGOAV-NSHDSACASA-N 1 0 278.312 1.089 20 5 CDBDRO COc1cccc(NC[C@@]23C[NH2+][C@@H](CO2)C3)c1[N+](=O)[O-] ZINC001163203490 939224571 /nfs/dbraw/zinc/22/45/71/939224571.db2.gz WUMGAMBKHXSRJS-NOZJJQNGSA-N 1 0 279.296 1.146 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)c1F ZINC001163252615 939232978 /nfs/dbraw/zinc/23/29/78/939232978.db2.gz IFSJXOBMIPCLCB-GWCFXTLKSA-N 1 0 294.286 1.032 20 5 CDBDRO O=[N+]([O-])c1cncc(Cl)c1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163267413 939235919 /nfs/dbraw/zinc/23/59/19/939235919.db2.gz RHFOLONJYUEZBT-WEDXCCLWSA-N 1 0 282.731 1.475 20 5 CDBDRO COc1cc(C)nc(N(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC001163596007 939291660 /nfs/dbraw/zinc/29/16/60/939291660.db2.gz QVVTXIRVFWYTFX-UHFFFAOYSA-N 1 0 282.344 1.695 20 5 CDBDRO COc1ccc(N[C@@H](C)C[NH+](C)C)nc1[N+](=O)[O-] ZINC001163771697 939327024 /nfs/dbraw/zinc/32/70/24/939327024.db2.gz FUERAFSJWHWRGL-QMMMGPOBSA-N 1 0 254.290 1.360 20 5 CDBDRO CSCCCNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001163874590 939345252 /nfs/dbraw/zinc/34/52/52/939345252.db2.gz GJGWSAFPJBEOMF-UHFFFAOYSA-N 1 0 283.357 1.237 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1ccc2nsnc2c1[N+](=O)[O-] ZINC001163984870 939371682 /nfs/dbraw/zinc/37/16/82/939371682.db2.gz CTQZGSLEDRNPRS-UHFFFAOYSA-N 1 0 290.308 1.552 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(-n3cnc4c3C[NH2+]CC4)cnc2c1 ZINC001164310285 939451378 /nfs/dbraw/zinc/45/13/78/939451378.db2.gz OESFVIURHWWUPW-UHFFFAOYSA-N 1 0 296.290 1.369 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2-n1cnc2c1C[NH2+]CC2 ZINC001164313262 939451845 /nfs/dbraw/zinc/45/18/45/939451845.db2.gz CRHQQTAXJZZAID-UHFFFAOYSA-N 1 0 296.290 1.369 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2C[C@@H](C[NH3+])CC[C@@H]2C)n1 ZINC001164462753 939475421 /nfs/dbraw/zinc/47/54/21/939475421.db2.gz UBFULUKJGVZSEI-WCBMZHEXSA-N 1 0 265.317 1.257 20 5 CDBDRO COc1nc(N2C[C@H](C[NH3+])CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC001164461212 939475425 /nfs/dbraw/zinc/47/54/25/939475425.db2.gz HQSRCFRHXLIWHA-UWVGGRQHSA-N 1 0 280.328 1.562 20 5 CDBDRO COCCC[NH+]1CCN(c2cccc([N+](=O)[O-])n2)CC1 ZINC001165097215 939509722 /nfs/dbraw/zinc/50/97/22/939509722.db2.gz ITNFZHZCLRNPTJ-UHFFFAOYSA-N 1 0 280.328 1.148 20 5 CDBDRO C[NH+](C)C1(C)CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)C1 ZINC001165121552 939513613 /nfs/dbraw/zinc/51/36/13/939513613.db2.gz VBLNPCYXTUKBBQ-UHFFFAOYSA-N 1 0 275.312 1.611 20 5 CDBDRO Cc1cc(Cl)nc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001165146130 939518172 /nfs/dbraw/zinc/51/81/72/939518172.db2.gz BSJSXIRNSPMSHL-AOOOYVTPSA-N 1 0 296.758 1.949 20 5 CDBDRO CCOc1nc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001165147935 939518432 /nfs/dbraw/zinc/51/84/32/939518432.db2.gz GVKBWHNKTYOOEK-PHIMTYICSA-N 1 0 292.339 1.386 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1-n1ncc2c1CC[NH2+]C2 ZINC001165218957 939526335 /nfs/dbraw/zinc/52/63/35/939526335.db2.gz SVOKLFVJMQWFKL-UHFFFAOYSA-N 1 0 259.269 1.130 20 5 CDBDRO Cc1nc(N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)ncc1[N+](=O)[O-] ZINC001165432229 939564166 /nfs/dbraw/zinc/56/41/66/939564166.db2.gz FAHBSMJEDXKRDE-ZJUUUORDSA-N 1 0 295.318 1.206 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2ccnc2CC[NH3+])c1 ZINC001166370387 939606360 /nfs/dbraw/zinc/60/63/60/939606360.db2.gz YKUCYAAOQQUWKL-UHFFFAOYSA-N 1 0 290.279 1.068 20 5 CDBDRO COC(=O)C1(Nc2cc([N+](=O)[O-])c(C)cn2)CC[NH2+]CC1 ZINC001166954083 939658460 /nfs/dbraw/zinc/65/84/60/939658460.db2.gz AVZUOOBGLRXXQV-UHFFFAOYSA-N 1 0 294.311 1.005 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1C[NH2+]C[C@@H]1F ZINC001218016202 941036473 /nfs/dbraw/zinc/03/64/73/941036473.db2.gz BXUAKEMOPCYHRD-CABZTGNLSA-N 1 0 254.261 1.900 20 5 CDBDRO COc1c(C)cc([N+](=O)[O-])c(O[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC001218182627 941042852 /nfs/dbraw/zinc/04/28/52/941042852.db2.gz XWOVDMQAUCULHV-QMMMGPOBSA-N 1 0 297.267 1.561 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CCC[NH2+]C1 ZINC001218283195 941051047 /nfs/dbraw/zinc/05/10/47/941051047.db2.gz GXUTWTUETILDII-SNVBAGLBSA-N 1 0 294.307 1.821 20 5 CDBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)C1([NH3+])CC1 ZINC001218857986 941280468 /nfs/dbraw/zinc/28/04/68/941280468.db2.gz SCFVNSGARHMWNB-UHFFFAOYSA-N 1 0 293.330 1.795 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@@H]1CC[N@H+](C)C1 ZINC001223450236 941678642 /nfs/dbraw/zinc/67/86/42/941678642.db2.gz NGYKYSUETPJKMP-GFCCVEGCSA-N 1 0 294.307 1.602 20 5 CDBDRO COC(=O)c1cc(CO[C@@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001223688853 941691102 /nfs/dbraw/zinc/69/11/02/941691102.db2.gz QQGDNKNFENACLP-JTQLQIEISA-N 1 0 296.323 1.848 20 5 CDBDRO COCC[NH+]1CCC(OCc2ccc([N+](=O)[O-])nc2)CC1 ZINC001224114943 941720906 /nfs/dbraw/zinc/72/09/06/941720906.db2.gz RFJFKFRIRYZRGS-UHFFFAOYSA-N 1 0 295.339 1.617 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCCc1ccncc1 ZINC001224949827 941808866 /nfs/dbraw/zinc/80/88/66/941808866.db2.gz IURJQRNSPSUTHN-CQSZACIVSA-N 1 0 281.376 1.015 20 5 CDBDRO CCCOc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001225256376 941834450 /nfs/dbraw/zinc/83/44/50/941834450.db2.gz ZPEBKFURGLCWIJ-CYBMUJFWSA-N 1 0 296.387 1.838 20 5 CDBDRO NC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1C[NH+]2CCC1CC2 ZINC001226168427 941961449 /nfs/dbraw/zinc/96/14/49/941961449.db2.gz SDAAHHCGAQTZHI-ZDUSSCGKSA-N 1 0 291.307 1.167 20 5 CDBDRO Nc1cc(O[C@H](C[N+](=O)[O-])c2cccnc2)cc[nH+]1 ZINC001226655344 942042766 /nfs/dbraw/zinc/04/27/66/942042766.db2.gz FRWFLZNZKWXNKJ-LLVKDONJSA-N 1 0 260.253 1.456 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](Oc2ncc(F)cc2[N+](=O)[O-])C1 ZINC001226750875 942061938 /nfs/dbraw/zinc/06/19/38/942061938.db2.gz AFKHDYXMUZZAKH-SNVBAGLBSA-N 1 0 269.276 1.992 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2nc(C)ccc2[N+](=O)[O-])C1 ZINC001227062189 942124570 /nfs/dbraw/zinc/12/45/70/942124570.db2.gz ILBXNZLHYXACON-JTQLQIEISA-N 1 0 251.286 1.771 20 5 CDBDRO CCCOc1ccccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228182174 942279298 /nfs/dbraw/zinc/27/92/98/942279298.db2.gz MZZADQXOTDADQE-CYBMUJFWSA-N 1 0 296.387 1.838 20 5 CDBDRO Cc1noc2ncnc(O[C@H](C)C[N+](C)(C)C)c12 ZINC001228308031 942294596 /nfs/dbraw/zinc/29/45/96/942294596.db2.gz VEBXOOBNZWSLKV-MRVPVSSYSA-N 1 0 251.310 1.400 20 5 CDBDRO COC(=O)c1c(O[C@H]2CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC001229046970 942411955 /nfs/dbraw/zinc/41/19/55/942411955.db2.gz WFVVRORLSPKAPR-VIFPVBQESA-N 1 0 280.280 1.464 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2n[nH]c(=O)c3ccc([N+](=O)[O-])cc32)C1 ZINC001229362167 942459186 /nfs/dbraw/zinc/45/91/86/942459186.db2.gz QYPSEABPKNMTSR-SECBINFHSA-N 1 0 290.279 1.327 20 5 CDBDRO [NH3+]C1(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001263234595 943797849 /nfs/dbraw/zinc/79/78/49/943797849.db2.gz DLGWNOLKURBZID-UHFFFAOYSA-N 1 0 269.688 1.469 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1nc2c(cccc2O)[nH]1 ZINC001234447822 943841226 /nfs/dbraw/zinc/84/12/26/943841226.db2.gz POZFSHMMUQGSAQ-SECBINFHSA-O 1 0 250.322 1.742 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CC1 ZINC001254532219 947509116 /nfs/dbraw/zinc/50/91/16/947509116.db2.gz KYBUVTDPPBYSNQ-SNVBAGLBSA-N 1 0 250.298 1.640 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC001254563528 947525757 /nfs/dbraw/zinc/52/57/57/947525757.db2.gz YDANHCBDMCTMSS-CMPLNLGQSA-N 1 0 277.324 1.333 20 5 CDBDRO CC[C@H](CO)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254564848 947528066 /nfs/dbraw/zinc/52/80/66/947528066.db2.gz AXPCQJQPIRUZTJ-NEPJUHHUSA-N 1 0 250.298 1.423 20 5 CDBDRO CSCC[C@@H](CO)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573388 947532967 /nfs/dbraw/zinc/53/29/67/947532967.db2.gz YWAMXGQHGZKMFC-STQMWFEESA-N 1 0 296.392 1.766 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1[C@@H]3COC[C@@H]31)C2 ZINC001254579419 947537786 /nfs/dbraw/zinc/53/77/86/947537786.db2.gz RURIBHFBKVKRQS-ZZVYKPCYSA-N 1 0 260.293 1.296 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CC(CO)C1)C2 ZINC001254585414 947539665 /nfs/dbraw/zinc/53/96/65/947539665.db2.gz WZTJOJZZAZRDLP-LDUAJXOISA-N 1 0 262.309 1.423 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCc1cnoc1)C2 ZINC001254586509 947542133 /nfs/dbraw/zinc/54/21/33/947542133.db2.gz KTNDGMSPLUFOPI-ZDUSSCGKSA-N 1 0 273.292 1.882 20 5 CDBDRO CO[C@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254593665 947545623 /nfs/dbraw/zinc/54/56/23/947545623.db2.gz NSDUPQNBXAXLPP-KGLIPLIRSA-N 1 0 262.309 1.783 20 5 CDBDRO CO[C@@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1OC ZINC001254597340 947546733 /nfs/dbraw/zinc/54/67/33/947546733.db2.gz HOENBFYRXDVVRW-KFWWJZLASA-N 1 0 292.335 1.408 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC3(COC3)C1)C2 ZINC001254594440 947547849 /nfs/dbraw/zinc/54/78/49/947547849.db2.gz QYQWMPSFFJYZKF-AWEZNQCLSA-N 1 0 274.320 1.784 20 5 CDBDRO CCOC(=O)CC[N@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602050 947548828 /nfs/dbraw/zinc/54/88/28/947548828.db2.gz ABJMNFUOGDXQGB-AWEZNQCLSA-N 1 0 292.335 1.947 20 5 CDBDRO C[C@@]1(CO)CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254599704 947551054 /nfs/dbraw/zinc/55/10/54/947551054.db2.gz PCLKEYCFSJAWHD-LSDHHAIUSA-N 1 0 276.336 1.766 20 5 CDBDRO Cn1ncc2c1CC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254607271 947553670 /nfs/dbraw/zinc/55/36/70/947553670.db2.gz KLLZFFWRAURUNU-HNNXBMFYSA-N 1 0 298.346 1.854 20 5 CDBDRO CC[N@H+](CCC(=O)OC)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254612118 947556487 /nfs/dbraw/zinc/55/64/87/947556487.db2.gz VEZIZJMNKFXVOH-AWEZNQCLSA-N 1 0 292.335 1.947 20 5 CDBDRO COc1ccc(C[C@@H](C)N[C@@H]2CC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001246447282 948178113 /nfs/dbraw/zinc/17/81/13/948178113.db2.gz VLEZAJJCMAXUQB-QMTHXVAHSA-N 1 0 291.351 1.486 20 5 CDBDRO COc1ccc(C[C@H](C)N2C[C@@H](F)[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001246528383 948230897 /nfs/dbraw/zinc/23/08/97/948230897.db2.gz WXVKJTCILFPNSM-BIMULSAOSA-N 1 0 297.330 1.515 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2CCCC[C@]23CC[NH2+]C3)C1 ZINC001246641388 948377992 /nfs/dbraw/zinc/37/79/92/948377992.db2.gz DWZINMHWQHZZFE-HZSPNIEDSA-N 1 0 267.373 1.650 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1C[NH3+] ZINC001246908775 948511458 /nfs/dbraw/zinc/51/14/58/948511458.db2.gz MPKSKSHDUCVQGX-WCQYABFASA-N 1 0 263.341 1.949 20 5 CDBDRO C[NH2+]C[C@H](C)c1noc(CCn2cc([N+](=O)[O-])nc2C)n1 ZINC001327004200 954655433 /nfs/dbraw/zinc/65/54/33/954655433.db2.gz IIFMTOVYGSRHEP-QMMMGPOBSA-N 1 0 294.315 1.048 20 5 CDBDRO CC1CC[NH+](CCc2nnc([C@@H]3CC3[N+](=O)[O-])o2)CC1 ZINC001327845181 955075216 /nfs/dbraw/zinc/07/52/16/955075216.db2.gz BKKDVTQCLBBQEW-GHMZBOCLSA-N 1 0 280.328 1.477 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329281635 955796871 /nfs/dbraw/zinc/79/68/71/955796871.db2.gz HHMITKPVEGTUOW-UONOGXRCSA-N 1 0 289.335 1.825 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC001329464971 955930519 /nfs/dbraw/zinc/93/05/19/955930519.db2.gz DNFXYASMPLXHQM-SNVBAGLBSA-N 1 0 278.312 1.070 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCCO2)n1 ZINC001308163072 956482306 /nfs/dbraw/zinc/48/23/06/956482306.db2.gz YQGZXCUTLVQQOL-OLZOCXBDSA-N 1 0 294.355 1.825 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001331760442 957247878 /nfs/dbraw/zinc/24/78/78/957247878.db2.gz VXSGTHMUCUBDKK-CHWSQXEVSA-N 1 0 294.355 1.601 20 5 CDBDRO CCN(CC[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001332871969 957904521 /nfs/dbraw/zinc/90/45/21/957904521.db2.gz QCLOGFXRPWEQAE-HNNXBMFYSA-N 1 0 277.368 1.860 20 5 CDBDRO Nc1ccc(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC001334670786 959274465 /nfs/dbraw/zinc/27/44/65/959274465.db2.gz XYTFUGRLMXGYFT-HZMBPMFUSA-N 1 0 290.323 1.130 20 5 CDBDRO COc1ccc([C@H](C[NH+]2CCCC2)NCC[N+](=O)[O-])cc1 ZINC001335434215 959800340 /nfs/dbraw/zinc/80/03/40/959800340.db2.gz ZGZNAFVHBZVPGP-HNNXBMFYSA-N 1 0 293.367 1.698 20 5 CDBDRO C[C@@H]1CN(c2ccc(N)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001336419310 960341490 /nfs/dbraw/zinc/34/14/90/960341490.db2.gz SVTLIISEIVTCBR-DTORHVGOSA-N 1 0 250.302 1.364 20 5 CDBDRO Nc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC001336513747 960375930 /nfs/dbraw/zinc/37/59/30/960375930.db2.gz LLVRUNWRZGYRBR-SNVBAGLBSA-N 1 0 277.328 1.247 20 5 CDBDRO C[NH+](C)C1(CNc2cc(N)c([N+](=O)[O-])cn2)CCC1 ZINC001336603929 960415278 /nfs/dbraw/zinc/41/52/78/960415278.db2.gz HSCCKQODLGKVIE-UHFFFAOYSA-N 1 0 265.317 1.468 20 5 CDBDRO CCN(CCC[NH+](C)C)c1cc(N)c([N+](=O)[O-])cn1 ZINC001337945743 961534332 /nfs/dbraw/zinc/53/43/32/961534332.db2.gz MAOOFBNUQJMSNG-UHFFFAOYSA-N 1 0 267.333 1.350 20 5 CDBDRO CO[C@@]1(C)C[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001338566560 961884615 /nfs/dbraw/zinc/88/46/15/961884615.db2.gz JNTRLMGXYBYNMC-GDLCADMTSA-N 1 0 296.323 1.102 20 5 CDBDRO C[C@@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC001342519951 963756935 /nfs/dbraw/zinc/75/69/35/963756935.db2.gz WOPWBZYXZAJAPZ-UTLUCORTSA-N 1 0 265.313 1.755 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001342649264 963787876 /nfs/dbraw/zinc/78/78/76/963787876.db2.gz OETGCPPDHIEOKS-RYUDHWBXSA-N 1 0 291.351 1.960 20 5 CDBDRO COCC[NH2+]CC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001342902466 963855427 /nfs/dbraw/zinc/85/54/27/963855427.db2.gz VMTCCMSQRMFXNX-UHFFFAOYSA-N 1 0 267.285 1.078 20 5 CDBDRO COc1ccc(NC(=O)NCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001344494899 964331484 /nfs/dbraw/zinc/33/14/84/964331484.db2.gz DCQSBQIMKAFYET-UHFFFAOYSA-N 1 0 282.300 1.287 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001345856732 964834785 /nfs/dbraw/zinc/83/47/85/964834785.db2.gz VHLXEWGEOIBNNH-NXEZZACHSA-N 1 0 292.339 1.507 20 5 CDBDRO C[NH2+][C@H](C)CCNCc1ccc([N+](=O)[O-])cc1F ZINC001348514155 966034148 /nfs/dbraw/zinc/03/41/48/966034148.db2.gz BMIBYCJYOFBUMG-SECBINFHSA-N 1 0 255.293 1.822 20 5 CDBDRO Cc1nc(N2CC[N@@H+](C)C[C@H]2CC(C)C)ncc1[N+](=O)[O-] ZINC001352087453 967091522 /nfs/dbraw/zinc/09/15/22/967091522.db2.gz AHQGGLFJXHKYGE-GFCCVEGCSA-N 1 0 293.371 1.860 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC001358083739 969690751 /nfs/dbraw/zinc/69/07/51/969690751.db2.gz XGHWRYWQWLYKCD-VXGBXAGGSA-N 1 0 291.351 1.879 20 5 CDBDRO C[NH2+]CCN(C)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001521512466 970308424 /nfs/dbraw/zinc/30/84/24/970308424.db2.gz JZTUAQZPAITEQG-CHWSQXEVSA-N 1 0 277.324 1.376 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001577172454 1171614160 /nfs/dbraw/zinc/61/41/60/1171614160.db2.gz ZZEXIAORPHQWHA-KOLCDFICSA-N 1 0 265.313 1.770 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000070496663 1171666731 /nfs/dbraw/zinc/66/67/31/1171666731.db2.gz INKAAGMXJKKTDY-JTQLQIEISA-N 1 0 250.302 1.344 20 5 CDBDRO C[NH+](C)CCCCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601165669 342485027 /nfs/dbraw/zinc/48/50/27/342485027.db2.gz RSHYGJNZJWKIOJ-UHFFFAOYSA-N 1 0 283.303 1.806 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601170888 342485890 /nfs/dbraw/zinc/48/58/90/342485890.db2.gz GAZGPRUNBDORGB-JTQLQIEISA-N 1 0 295.314 1.758 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@H+](C)C(C)(C)C1 ZINC000601187907 342488063 /nfs/dbraw/zinc/48/80/63/342488063.db2.gz ZQTBDYQWCGRDGO-UHFFFAOYSA-N 1 0 281.360 1.650 20 5 CDBDRO O=[N+]([O-])c1sccc1N1CCC([NH2+]CCO)CC1 ZINC000589586803 342509535 /nfs/dbraw/zinc/50/95/35/342509535.db2.gz CCQOWLUSHOEWFU-UHFFFAOYSA-N 1 0 271.342 1.207 20 5 CDBDRO C[NH+](C)C[C@@H](CO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000589101446 342496924 /nfs/dbraw/zinc/49/69/24/342496924.db2.gz DUEFJDMMPNYYDI-VIFPVBQESA-N 1 0 273.720 1.583 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000601273661 342548097 /nfs/dbraw/zinc/54/80/97/342548097.db2.gz XXMPYZVNKIRZIC-AVGNSLFASA-N 1 0 292.339 1.339 20 5 CDBDRO C[NH+](C)CCCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000042921069 342001430 /nfs/dbraw/zinc/00/14/30/342001430.db2.gz OWBXIOSZRNLSIJ-UHFFFAOYSA-N 1 0 280.328 1.346 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCCN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601330362 342554738 /nfs/dbraw/zinc/55/47/38/342554738.db2.gz RZVHCSLFWPUNMG-TXEJJXNPSA-N 1 0 277.324 1.410 20 5 CDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000070169850 361738172 /nfs/dbraw/zinc/73/81/72/361738172.db2.gz LPVXODYHVDMJEX-NSHDSACASA-N 1 0 277.324 1.796 20 5 CDBDRO C[NH+](C)CCOC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000352944542 282106945 /nfs/dbraw/zinc/10/69/45/282106945.db2.gz YEPYELJXUYGVOE-UHFFFAOYSA-N 1 0 294.355 1.537 20 5 CDBDRO C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@@H+](C2CC2)C1 ZINC000590703692 342582546 /nfs/dbraw/zinc/58/25/46/342582546.db2.gz UUYIUXGRAPZWFO-JTQLQIEISA-N 1 0 279.344 1.249 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000046272694 342054731 /nfs/dbraw/zinc/05/47/31/342054731.db2.gz LRKHRNNXPFBGJG-VIFPVBQESA-N 1 0 297.380 1.997 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000608905598 342084189 /nfs/dbraw/zinc/08/41/89/342084189.db2.gz GSDYNPHOCNAURM-LLVKDONJSA-N 1 0 292.339 1.244 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000608906341 342084261 /nfs/dbraw/zinc/08/42/61/342084261.db2.gz YLPDPHBYSOABIC-JTQLQIEISA-N 1 0 278.312 1.233 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](C3CCC3)C2)c1 ZINC000591062200 342614986 /nfs/dbraw/zinc/61/49/86/342614986.db2.gz XJBLVFGHHGSXHB-JSGCOSHPSA-N 1 0 294.355 1.274 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000591147547 342618612 /nfs/dbraw/zinc/61/86/12/342618612.db2.gz BMRMGHOIBZDVAS-SECBINFHSA-N 1 0 268.292 1.517 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591436462 342631665 /nfs/dbraw/zinc/63/16/65/342631665.db2.gz AISXZKAKPPHBLW-KOLCDFICSA-N 1 0 265.288 1.922 20 5 CDBDRO COc1ccc(NC(=O)NC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000591297618 342624490 /nfs/dbraw/zinc/62/44/90/342624490.db2.gz JLZTXXYAWAPTKG-SSDOTTSWSA-N 1 0 268.273 1.072 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCCN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591448171 342632815 /nfs/dbraw/zinc/63/28/15/342632815.db2.gz GABJUSWSKHVAQH-CHWSQXEVSA-N 1 0 291.351 1.657 20 5 CDBDRO COc1ccc(C(=O)N2CCC(C)([NH3+])CC2)cc1[N+](=O)[O-] ZINC000592330788 342685249 /nfs/dbraw/zinc/68/52/49/342685249.db2.gz FLHJQVRSDGQHKW-UHFFFAOYSA-N 1 0 293.323 1.557 20 5 CDBDRO C[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CO1 ZINC000592378260 342687145 /nfs/dbraw/zinc/68/71/45/342687145.db2.gz CJIIUFKGQLMRGX-ONGXEEELSA-N 1 0 294.307 1.633 20 5 CDBDRO CC1(C)C[NH2+][C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000592012802 342661713 /nfs/dbraw/zinc/66/17/13/342661713.db2.gz HLDOTCJOILEUSF-GFCCVEGCSA-N 1 0 292.339 1.121 20 5 CDBDRO CC(C)([NH3+])CCC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000592482743 342695638 /nfs/dbraw/zinc/69/56/38/342695638.db2.gz IFKUUCDFMBCKOV-UHFFFAOYSA-N 1 0 294.355 1.640 20 5 CDBDRO C[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000593721328 342828720 /nfs/dbraw/zinc/82/87/20/342828720.db2.gz PSVGXAUDOXXKDQ-SNVBAGLBSA-N 1 0 297.330 1.590 20 5 CDBDRO COCC[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000569715470 539043142 /nfs/dbraw/zinc/04/31/42/539043142.db2.gz LAKLACANGJTFQO-AAEUAGOBSA-N 1 0 298.339 1.349 20 5 CDBDRO CC(C)Oc1nc(N[C@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000593930873 342852631 /nfs/dbraw/zinc/85/26/31/342852631.db2.gz GDWLJYCXDQGTLY-MNOVXSKESA-N 1 0 294.355 1.881 20 5 CDBDRO C[C@H](O)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594054895 342873030 /nfs/dbraw/zinc/87/30/30/342873030.db2.gz HFYFJKXXZQZKCN-NSHDSACASA-N 1 0 280.324 1.819 20 5 CDBDRO O=C1NCCCC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594495377 342914120 /nfs/dbraw/zinc/91/41/20/342914120.db2.gz VPBMNQVXZMBYKB-OLZOCXBDSA-N 1 0 289.335 1.840 20 5 CDBDRO C[C@H]1CC[NH2+][C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000126075470 187214896 /nfs/dbraw/zinc/21/48/96/187214896.db2.gz RQNCPBXJPYYTSS-JOYOIKCWSA-N 1 0 263.297 1.921 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595049723 342999713 /nfs/dbraw/zinc/99/97/13/342999713.db2.gz DBMHKAANBCWSLD-UWVGGRQHSA-N 1 0 295.339 1.779 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C/C=C/CO)n1 ZINC000595074000 343002452 /nfs/dbraw/zinc/00/24/52/343002452.db2.gz UQOAOSHNUGYNLP-BLDJZWNYSA-N 1 0 280.328 1.413 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000595230319 343009821 /nfs/dbraw/zinc/00/98/21/343009821.db2.gz PVDSLKPSWNFCQU-SECBINFHSA-N 1 0 266.301 1.633 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595260707 343014254 /nfs/dbraw/zinc/01/42/54/343014254.db2.gz JSPQJSGHLLISGI-GHMZBOCLSA-N 1 0 297.286 1.115 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000595263692 343015279 /nfs/dbraw/zinc/01/52/79/343015279.db2.gz JPIQIGDWSAKWMU-SECBINFHSA-N 1 0 296.327 1.011 20 5 CDBDRO COC(C)(C)C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000534870771 282212447 /nfs/dbraw/zinc/21/24/47/282212447.db2.gz GEUXCWPMZGACBI-UHFFFAOYSA-N 1 0 283.328 1.113 20 5 CDBDRO Cc1noc(CN2CC[N@@H+](C)CC2(C)C)c1[N+](=O)[O-] ZINC000595408589 343050831 /nfs/dbraw/zinc/05/08/31/343050831.db2.gz QRIPRPXBMXKCLH-UHFFFAOYSA-N 1 0 268.317 1.417 20 5 CDBDRO Cc1noc(CN(C)[C@@H](CO)C(C)(C)C)c1[N+](=O)[O-] ZINC000595388522 343053074 /nfs/dbraw/zinc/05/30/74/343053074.db2.gz GRNQLKBBDACDKM-JTQLQIEISA-N 1 0 271.317 1.730 20 5 CDBDRO C[C@@H](O)C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000595458647 343069319 /nfs/dbraw/zinc/06/93/19/343069319.db2.gz LHVJTXXZOGFQTQ-VHSXEESVSA-N 1 0 286.303 1.298 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000076269352 342320404 /nfs/dbraw/zinc/32/04/04/342320404.db2.gz LWWROQUEAMVYGM-VIFPVBQESA-N 1 0 280.332 1.111 20 5 CDBDRO Cc1cc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000312107982 362006983 /nfs/dbraw/zinc/00/69/83/362006983.db2.gz KZMTUNXTHSRXMJ-NEPJUHHUSA-N 1 0 261.325 1.949 20 5 CDBDRO C[C@H](CCO)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595564122 343099669 /nfs/dbraw/zinc/09/96/69/343099669.db2.gz PLEMBEKMVZURQL-SECBINFHSA-N 1 0 256.277 1.937 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000595541804 343093626 /nfs/dbraw/zinc/09/36/26/343093626.db2.gz CSQPUYLLQNCYBE-AAEUAGOBSA-N 1 0 298.314 1.611 20 5 CDBDRO Cc1ccnc(N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000265285391 362085809 /nfs/dbraw/zinc/08/58/09/362085809.db2.gz XDHGMJSJENVIKH-NWDGAFQWSA-N 1 0 294.355 1.190 20 5 CDBDRO C[C@H](O)[C@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000595769038 343146679 /nfs/dbraw/zinc/14/66/79/343146679.db2.gz IOXUQUWBIFJLFR-SMDDNHRTSA-N 1 0 280.324 1.819 20 5 CDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1COCCO1 ZINC000595735491 343135351 /nfs/dbraw/zinc/13/53/51/343135351.db2.gz AMPWAQKXDDBYRT-CQSZACIVSA-N 1 0 280.324 1.485 20 5 CDBDRO C[C@@H]1CCC[N@H+](CCNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000079914728 342348473 /nfs/dbraw/zinc/34/84/73/342348473.db2.gz XFHLBMWBDYLYNW-SECBINFHSA-N 1 0 280.332 1.111 20 5 CDBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000595940543 343203645 /nfs/dbraw/zinc/20/36/45/343203645.db2.gz GFELEELCYXMWKL-UHFFFAOYSA-N 1 0 263.297 1.596 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000595982258 343210756 /nfs/dbraw/zinc/21/07/56/343210756.db2.gz CYBLKMYIQQYRNR-MRVPVSSYSA-N 1 0 281.312 1.250 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CC1(C)C ZINC000595910220 343189370 /nfs/dbraw/zinc/18/93/70/343189370.db2.gz RSWKBTYIYZWXLN-JTQLQIEISA-N 1 0 252.318 1.769 20 5 CDBDRO C[NH2+]C[C@@H](C)NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000596104485 343228098 /nfs/dbraw/zinc/22/80/98/343228098.db2.gz FMEUFXQTGFOYTK-SECBINFHSA-N 1 0 283.328 1.310 20 5 CDBDRO CC(C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596111225 343230293 /nfs/dbraw/zinc/23/02/93/343230293.db2.gz YFFPDVKTJMRCLF-UHFFFAOYSA-N 1 0 280.328 1.446 20 5 CDBDRO C[NH+](C)CCn1cc(Nc2cc[nH]c(=O)c2[N+](=O)[O-])cn1 ZINC000596099921 343235977 /nfs/dbraw/zinc/23/59/77/343235977.db2.gz ZYUYXLXDTWVQCM-UHFFFAOYSA-N 1 0 292.299 1.197 20 5 CDBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596126827 343237795 /nfs/dbraw/zinc/23/77/95/343237795.db2.gz QOBWDEZZZBABLZ-NSHDSACASA-N 1 0 293.371 1.670 20 5 CDBDRO C[C@@H]1C[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000596145128 343243331 /nfs/dbraw/zinc/24/33/31/343243331.db2.gz GUYSTPGVPSNPIL-RKDXNWHRSA-N 1 0 266.301 1.590 20 5 CDBDRO Cc1cc(NC[C@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])s1 ZINC000596120418 343247839 /nfs/dbraw/zinc/24/78/39/343247839.db2.gz FLAALWIHPWOWFS-JTQLQIEISA-N 1 0 284.385 1.622 20 5 CDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000081333374 342367212 /nfs/dbraw/zinc/36/72/12/342367212.db2.gz SLAPVIUAGSFJSD-LLVKDONJSA-N 1 0 295.339 1.992 20 5 CDBDRO CN(CC[NH+]1CCCCC1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596296176 343290620 /nfs/dbraw/zinc/29/06/20/343290620.db2.gz TYQZYCHBRPJULN-UHFFFAOYSA-N 1 0 280.328 1.618 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596210520 343267383 /nfs/dbraw/zinc/26/73/83/343267383.db2.gz ZLPPWFJAQMBUMI-SNVBAGLBSA-N 1 0 280.328 1.616 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])C[C@H]2C1 ZINC000596213617 343268159 /nfs/dbraw/zinc/26/81/59/343268159.db2.gz ACEHKZKETBWRFY-DTORHVGOSA-N 1 0 282.731 1.641 20 5 CDBDRO C[N@H+](CCCCNc1ccc(N)c([N+](=O)[O-])n1)C1CC1 ZINC000596260804 343277719 /nfs/dbraw/zinc/27/77/19/343277719.db2.gz KPXJZVWERBOUEF-UHFFFAOYSA-N 1 0 279.344 1.280 20 5 CDBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000596486853 343328889 /nfs/dbraw/zinc/32/88/89/343328889.db2.gz APVTYLZPYYYVQT-LLVKDONJSA-N 1 0 293.371 1.526 20 5 CDBDRO CC[NH+]1CCN(CCNc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000088700552 342386876 /nfs/dbraw/zinc/38/68/76/342386876.db2.gz MEVLLRCJIMJHAG-UHFFFAOYSA-N 1 0 292.383 1.953 20 5 CDBDRO C[NH+](C)CC1(CNc2ncc([N+](=O)[O-])cn2)CCCC1 ZINC000273919420 192361805 /nfs/dbraw/zinc/36/18/05/192361805.db2.gz JMYYHYQWDCYXMN-UHFFFAOYSA-N 1 0 279.344 1.919 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000565941181 365757496 /nfs/dbraw/zinc/75/74/96/365757496.db2.gz QTEILKUHMDAIMI-GFCCVEGCSA-N 1 0 280.328 1.377 20 5 CDBDRO CCC[N@@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000598341632 343770208 /nfs/dbraw/zinc/77/02/08/343770208.db2.gz FBZXEXOXLXAJAM-ZDUSSCGKSA-N 1 0 291.351 1.738 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598913211 343919077 /nfs/dbraw/zinc/91/90/77/343919077.db2.gz FKTMXTKBAFICOW-BDAKNGLRSA-N 1 0 296.302 1.935 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598913214 343919190 /nfs/dbraw/zinc/91/91/90/343919190.db2.gz FKTMXTKBAFICOW-RKDXNWHRSA-N 1 0 296.302 1.935 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915470 343919573 /nfs/dbraw/zinc/91/95/73/343919573.db2.gz MJWXAHPHEAMOPD-ZCFIWIBFSA-N 1 0 256.237 1.203 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598917031 343920523 /nfs/dbraw/zinc/92/05/23/343920523.db2.gz PTVGMYITHXZNFO-QMMMGPOBSA-N 1 0 282.275 1.560 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1CC[NH2+]C1 ZINC000598916482 343920663 /nfs/dbraw/zinc/92/06/63/343920663.db2.gz ZSBWWZPHNPXWNW-ZETCQYMHSA-N 1 0 268.248 1.217 20 5 CDBDRO Cc1cc(NC(=O)NC[C@@H]2COCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000599610349 344094435 /nfs/dbraw/zinc/09/44/35/344094435.db2.gz HFXRBXWAILINDO-LLVKDONJSA-N 1 0 294.311 1.013 20 5 CDBDRO CCc1ccc(C(=O)N2CCC[C@@H]([NH2+]C)C2)cc1[N+](=O)[O-] ZINC000150988309 362358095 /nfs/dbraw/zinc/35/80/95/362358095.db2.gz BPZNAGMSDHGLBX-CYBMUJFWSA-N 1 0 291.351 1.981 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000599988817 344160543 /nfs/dbraw/zinc/16/05/43/344160543.db2.gz NOPNQQXZNWTXNN-PJXYFTJBSA-N 1 0 293.298 1.366 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601600166 344206835 /nfs/dbraw/zinc/20/68/35/344206835.db2.gz BFCXPHWXNJKNFN-MWLCHTKSSA-N 1 0 295.314 1.899 20 5 CDBDRO CC[NH2+][C@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000602499184 344442147 /nfs/dbraw/zinc/44/21/47/344442147.db2.gz OCKONXGVNGEXLE-SNVBAGLBSA-N 1 0 265.313 1.517 20 5 CDBDRO CC[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000602492645 344450731 /nfs/dbraw/zinc/45/07/31/344450731.db2.gz NZVHVDOWQJMESS-GXSJLCMTSA-N 1 0 295.314 1.933 20 5 CDBDRO CSC[C@H]1CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602780872 344596612 /nfs/dbraw/zinc/59/66/12/344596612.db2.gz BCJCMSHGDQTRHP-LLVKDONJSA-N 1 0 284.385 1.927 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@H]1CCOC1 ZINC000602776354 344578799 /nfs/dbraw/zinc/57/87/99/344578799.db2.gz FTRMBDOMKHCOFZ-LLVKDONJSA-N 1 0 268.317 1.068 20 5 CDBDRO CC[NH2+]Cc1cn(Cc2c(F)cc([N+](=O)[O-])cc2F)nn1 ZINC000603246204 344750206 /nfs/dbraw/zinc/75/02/06/344750206.db2.gz AZHOCNZOXXWZOX-UHFFFAOYSA-N 1 0 297.265 1.622 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000311949670 344856021 /nfs/dbraw/zinc/85/60/21/344856021.db2.gz YYXRSPAYAIJZFD-MRVPVSSYSA-N 1 0 269.276 1.591 20 5 CDBDRO C[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159728013 362511589 /nfs/dbraw/zinc/51/15/89/362511589.db2.gz JVEPKLSIGGWGML-NSHDSACASA-N 1 0 265.313 1.631 20 5 CDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000159765453 362522583 /nfs/dbraw/zinc/52/25/83/362522583.db2.gz ZKQDNAZTKCGMKA-JTQLQIEISA-N 1 0 295.314 1.935 20 5 CDBDRO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000344241508 362558996 /nfs/dbraw/zinc/55/89/96/362558996.db2.gz WGIJMQJTKHURLU-SECBINFHSA-N 1 0 295.314 1.946 20 5 CDBDRO C[C@H]1C[NH+](CCCNc2ncccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000073448665 345460352 /nfs/dbraw/zinc/46/03/52/345460352.db2.gz OEPNEGOYVAAHOH-RYUDHWBXSA-N 1 0 294.355 1.901 20 5 CDBDRO COc1ccc(C[N@H+](C)CCOCCO)cc1[N+](=O)[O-] ZINC000265767178 362606899 /nfs/dbraw/zinc/60/68/99/362606899.db2.gz IBOTXGLVTURSTH-UHFFFAOYSA-N 1 0 284.312 1.044 20 5 CDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3CC[N@H+](C)C3)n2)n1C ZINC000350257530 346334534 /nfs/dbraw/zinc/33/45/34/346334534.db2.gz ANAFXHSZYGXSRQ-MRVPVSSYSA-N 1 0 292.299 1.106 20 5 CDBDRO CC[N@@H+]1CCN(c2ncc(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000611084774 346604284 /nfs/dbraw/zinc/60/42/84/346604284.db2.gz SABVBCDOYUAWQP-LLVKDONJSA-N 1 0 264.329 1.829 20 5 CDBDRO COCC[N@@H+]1CC[C@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000611413214 346779714 /nfs/dbraw/zinc/77/97/14/346779714.db2.gz XURNDKNIEIUVBA-VIFPVBQESA-N 1 0 271.342 1.789 20 5 CDBDRO CC[C@H](C[NH+]1CCCC1)Nc1ncc([N+](=O)[O-])cn1 ZINC000612785926 347283329 /nfs/dbraw/zinc/28/33/29/347283329.db2.gz HBNNUZSSJZRYBM-SNVBAGLBSA-N 1 0 265.317 1.671 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH3+])c1 ZINC000262549545 362844526 /nfs/dbraw/zinc/84/45/26/362844526.db2.gz XFEGBMSNYINCMH-ZETCQYMHSA-N 1 0 269.326 1.394 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000066124536 347477963 /nfs/dbraw/zinc/47/79/63/347477963.db2.gz DGFQEQPBIGCCBS-LLVKDONJSA-N 1 0 297.359 1.028 20 5 CDBDRO CC[N@H+](C)CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000066959261 347548228 /nfs/dbraw/zinc/54/82/28/347548228.db2.gz VVCPYAKJIKWDMI-UHFFFAOYSA-N 1 0 281.312 1.042 20 5 CDBDRO C[C@@]1(CNC(=O)c2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000128889684 187397164 /nfs/dbraw/zinc/39/71/64/187397164.db2.gz AHCHDWZIPCCPOW-CQSZACIVSA-N 1 0 277.324 1.714 20 5 CDBDRO Cc1cc(C(=O)N2CCC3(C[NH+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000618921265 348628191 /nfs/dbraw/zinc/62/81/91/348628191.db2.gz RULGWSRZWCOUAG-UHFFFAOYSA-N 1 0 289.335 1.681 20 5 CDBDRO Cc1ccc(C(=O)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000033093266 348697055 /nfs/dbraw/zinc/69/70/55/348697055.db2.gz AQDOKNNDGLZVJN-JTQLQIEISA-N 1 0 265.313 1.583 20 5 CDBDRO Cc1ccc(C(=O)NC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000033093267 348697312 /nfs/dbraw/zinc/69/73/12/348697312.db2.gz AQDOKNNDGLZVJN-SNVBAGLBSA-N 1 0 265.313 1.583 20 5 CDBDRO CC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000057000927 348827922 /nfs/dbraw/zinc/82/79/22/348827922.db2.gz LKTVWRGSJMDZGU-UHFFFAOYSA-N 1 0 281.312 1.650 20 5 CDBDRO COCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000066380199 348982826 /nfs/dbraw/zinc/98/28/26/348982826.db2.gz UVWMZFNPIPNTKI-LLVKDONJSA-N 1 0 295.339 1.890 20 5 CDBDRO COC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090949675 180072126 /nfs/dbraw/zinc/07/21/26/180072126.db2.gz UDQSBWWDMZQRRT-AAEUAGOBSA-N 1 0 282.340 1.951 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000104961520 186034596 /nfs/dbraw/zinc/03/45/96/186034596.db2.gz DEJOTEFGBSFSTH-CYBMUJFWSA-N 1 0 280.324 1.820 20 5 CDBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000290947914 197867537 /nfs/dbraw/zinc/86/75/37/197867537.db2.gz CNWQTXXIHWHNIA-SNVBAGLBSA-N 1 0 267.333 1.917 20 5 CDBDRO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000105932793 186091818 /nfs/dbraw/zinc/09/18/18/186091818.db2.gz AZWTWHZOYLNBIL-FZMZJTMJSA-N 1 0 279.340 1.576 20 5 CDBDRO CC(C)[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCS1 ZINC000174880541 365979980 /nfs/dbraw/zinc/97/99/80/365979980.db2.gz DNHBXSMCBVADGH-GFCCVEGCSA-N 1 0 284.385 1.865 20 5 CDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000109705411 186269063 /nfs/dbraw/zinc/26/90/63/186269063.db2.gz UQLRJHIEONLACB-NSHDSACASA-N 1 0 265.313 1.698 20 5 CDBDRO CC(C)(C)[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000109331478 186248704 /nfs/dbraw/zinc/24/87/04/186248704.db2.gz PSWUXCWWKMDZLT-GFCCVEGCSA-N 1 0 295.339 1.463 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(OCC3CC3)CC2)c1 ZINC000364345109 362976789 /nfs/dbraw/zinc/97/67/89/362976789.db2.gz LPEAWQOGDPFIDQ-UHFFFAOYSA-N 1 0 294.355 1.682 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000311703101 350709378 /nfs/dbraw/zinc/70/93/78/350709378.db2.gz MJHQCSWYPUDHKP-NSHDSACASA-N 1 0 268.313 1.675 20 5 CDBDRO CC[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1O ZINC000341027555 365992508 /nfs/dbraw/zinc/99/25/08/365992508.db2.gz LQGWTVZCKBKACN-TVQRCGJNSA-N 1 0 268.288 1.937 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1(C[NH3+])CCCC1 ZINC000111831903 186462264 /nfs/dbraw/zinc/46/22/64/186462264.db2.gz WFSBZJLOEIDATR-UHFFFAOYSA-N 1 0 277.324 1.905 20 5 CDBDRO Cc1nc(NC[C@@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000124095780 351322939 /nfs/dbraw/zinc/32/29/39/351322939.db2.gz VHGHXWDWECWGNV-JTQLQIEISA-N 1 0 250.302 1.852 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000124869251 351378091 /nfs/dbraw/zinc/37/80/91/351378091.db2.gz CILLXKDLTHNVFY-UHFFFAOYSA-N 1 0 266.301 1.668 20 5 CDBDRO CCc1ccc(C(=O)NCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000120650157 186915656 /nfs/dbraw/zinc/91/56/56/186915656.db2.gz YCGSAPJZFWTXNG-UHFFFAOYSA-N 1 0 291.351 1.887 20 5 CDBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c2nonc21)C[NH+](C)C ZINC000292003616 198131363 /nfs/dbraw/zinc/13/13/63/198131363.db2.gz YWEAEAMMHWMNAS-QMMMGPOBSA-N 1 0 279.300 1.741 20 5 CDBDRO C[C@H](CNc1ccc([N+](=O)[O-])c2nonc21)C[NH+](C)C ZINC000292003613 198131558 /nfs/dbraw/zinc/13/15/58/198131558.db2.gz YWEAEAMMHWMNAS-MRVPVSSYSA-N 1 0 279.300 1.741 20 5 CDBDRO Cc1cc(C(=O)N(C)C2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000135218837 187808646 /nfs/dbraw/zinc/80/86/46/187808646.db2.gz WNYVLBXZSYILFQ-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO CC1CC[NH+](CCn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC000154374656 188138925 /nfs/dbraw/zinc/13/89/25/188138925.db2.gz POZBKDHOKDEYAJ-UHFFFAOYSA-N 1 0 265.313 1.488 20 5 CDBDRO C[C@H](O)C[C@@H]1COCCN1Cc1ccccc1[N+](=O)[O-] ZINC000157282209 188307630 /nfs/dbraw/zinc/30/76/30/188307630.db2.gz FIHNZNGXTTVEOU-WCQYABFASA-N 1 0 280.324 1.567 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000156588588 188271439 /nfs/dbraw/zinc/27/14/39/188271439.db2.gz IAOVQNYKIUIDFI-NXEZZACHSA-N 1 0 265.313 1.537 20 5 CDBDRO COCC[N@H+](C)CCCNc1ncc([N+](=O)[O-])cc1F ZINC000413051286 363254003 /nfs/dbraw/zinc/25/40/03/363254003.db2.gz FTYAEOINAOPRGE-UHFFFAOYSA-N 1 0 286.307 1.509 20 5 CDBDRO COC[C@@H]1C[C@H](O)CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000411904593 363376420 /nfs/dbraw/zinc/37/64/20/363376420.db2.gz ABUJYHVFDIEPFO-RYUDHWBXSA-N 1 0 284.287 1.316 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CCN(c3ncccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272190781 283079082 /nfs/dbraw/zinc/07/90/82/283079082.db2.gz MHOYBHZSEGEQHT-ZYHUDNBSSA-N 1 0 262.313 1.520 20 5 CDBDRO Cc1cccc(C(=O)N[C@H](C)CC[NH3+])c1[N+](=O)[O-] ZINC000336793911 356262442 /nfs/dbraw/zinc/26/24/42/356262442.db2.gz YWPNHTUHXOPGRS-SECBINFHSA-N 1 0 251.286 1.370 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)nc1 ZINC000219295642 356306172 /nfs/dbraw/zinc/30/61/72/356306172.db2.gz VKDDNUDNJHTARY-QWRGUYRKSA-N 1 0 263.301 1.424 20 5 CDBDRO CNc1c(C(=O)NC[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000336848209 356386098 /nfs/dbraw/zinc/38/60/98/356386098.db2.gz IEVDXKYZSWTZJF-JTQLQIEISA-N 1 0 294.355 1.564 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000163375988 356545037 /nfs/dbraw/zinc/54/50/37/356545037.db2.gz VWNVNLFMMQUGFJ-YUMQZZPRSA-N 1 0 269.326 1.466 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC[C@H](C)O ZINC000075780892 356944408 /nfs/dbraw/zinc/94/44/08/356944408.db2.gz JPSCWENHVORLNH-JTQLQIEISA-N 1 0 268.313 1.806 20 5 CDBDRO CCN(CC(=O)OC)Cc1cccc([N+](=O)[O-])c1 ZINC000047867196 357167175 /nfs/dbraw/zinc/16/71/75/357167175.db2.gz JOUXVLBPDPZOOS-UHFFFAOYSA-N 1 0 252.270 1.590 20 5 CDBDRO C[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000261581083 357235554 /nfs/dbraw/zinc/23/55/54/357235554.db2.gz QJWNEIREQGAYTE-WPRPVWTQSA-N 1 0 253.277 1.907 20 5 CDBDRO COc1ccc(C[NH2+]CCC2CC(O)C2)cc1[N+](=O)[O-] ZINC000432360928 357252262 /nfs/dbraw/zinc/25/22/62/357252262.db2.gz BZAIYYJNPQNKFV-UHFFFAOYSA-N 1 0 280.324 1.854 20 5 CDBDRO Cc1c(CNC(=O)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000360525281 357358248 /nfs/dbraw/zinc/35/82/48/357358248.db2.gz NOYNEFOYQXCZDB-UHFFFAOYSA-N 1 0 251.286 1.081 20 5 CDBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000185676264 357565965 /nfs/dbraw/zinc/56/59/65/357565965.db2.gz JQRLGMKOEUQBHK-JQWIXIFHSA-N 1 0 252.318 1.912 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000186821121 357696045 /nfs/dbraw/zinc/69/60/45/357696045.db2.gz NTXYRIPQIRQJGF-BXKDBHETSA-N 1 0 293.323 1.331 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N(CC[NH+](C)C)C(C)C ZINC000361003797 357771447 /nfs/dbraw/zinc/77/14/47/357771447.db2.gz VHEUZAYPECSLKS-UHFFFAOYSA-N 1 0 283.376 1.896 20 5 CDBDRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000036256857 357817828 /nfs/dbraw/zinc/81/78/28/357817828.db2.gz GRIPCFJKQHHROA-LBPRGKRZSA-N 1 0 289.335 1.999 20 5 CDBDRO CC1(O)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000126788687 358050439 /nfs/dbraw/zinc/05/04/39/358050439.db2.gz AHBQLVIOHMEJPX-UHFFFAOYSA-N 1 0 250.298 1.942 20 5 CDBDRO C[N@H+]1C[C@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000192470557 358205916 /nfs/dbraw/zinc/20/59/16/358205916.db2.gz JHRGYBHNSYDWOV-BETUJISGSA-N 1 0 289.335 1.157 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000193606294 358308319 /nfs/dbraw/zinc/30/83/19/358308319.db2.gz MPFGDLVHGXEKHZ-CABZTGNLSA-N 1 0 293.323 1.474 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000193634409 358311634 /nfs/dbraw/zinc/31/16/34/358311634.db2.gz NCWIIVGLBIZBDZ-GWCFXTLKSA-N 1 0 293.323 1.230 20 5 CDBDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000227966904 358667598 /nfs/dbraw/zinc/66/75/98/358667598.db2.gz DYAVWEKQJKAHCV-KWQFWETISA-N 1 0 272.326 1.286 20 5 CDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2C[C@@H](O)C2)c1 ZINC000294936588 199259704 /nfs/dbraw/zinc/25/97/04/199259704.db2.gz UXFNFZRLCOFNGG-WAAGHKOSSA-N 1 0 288.250 1.809 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000236891809 358755119 /nfs/dbraw/zinc/75/51/19/358755119.db2.gz FAODTDVWGSBNPO-LLVKDONJSA-N 1 0 295.339 1.607 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000567821600 358738147 /nfs/dbraw/zinc/73/81/47/358738147.db2.gz DTUHJGGMEWPAGE-QWRGUYRKSA-N 1 0 294.355 1.562 20 5 CDBDRO C[C@H](CNc1ccc(N)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000287853773 359131151 /nfs/dbraw/zinc/13/11/51/359131151.db2.gz LSRUQXSGEUYDAM-LLVKDONJSA-N 1 0 293.371 1.225 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000287961071 359140985 /nfs/dbraw/zinc/14/09/85/359140985.db2.gz HXJPJYQUVYMZQV-NSHDSACASA-N 1 0 294.355 1.686 20 5 CDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CCC[NH2+]C1 ZINC000050162323 359352300 /nfs/dbraw/zinc/35/23/00/359352300.db2.gz JPZZHXUEKNTSSA-NXEZZACHSA-N 1 0 280.328 1.051 20 5 CDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000353190642 359581153 /nfs/dbraw/zinc/58/11/53/359581153.db2.gz OLRNCPLZCPRLGA-UONOGXRCSA-N 1 0 280.324 1.878 20 5 CDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCC[NH2+]C1 ZINC000050162641 359599361 /nfs/dbraw/zinc/59/93/61/359599361.db2.gz JLJMRJZZPRLJRO-BDAKNGLRSA-N 1 0 283.353 1.774 20 5 CDBDRO Cc1nc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000297347213 200156650 /nfs/dbraw/zinc/15/66/50/200156650.db2.gz BGHODWHGBIGQGT-GHMZBOCLSA-N 1 0 279.344 1.978 20 5 CDBDRO Cc1nc(NC[C@H](C)[N@H+](C)C2CC2)ncc1[N+](=O)[O-] ZINC000297324784 200149172 /nfs/dbraw/zinc/14/91/72/200149172.db2.gz ZUZNQQCIUGFYOV-QMMMGPOBSA-N 1 0 265.317 1.588 20 5 CDBDRO O=C(C[C@H]1CC[NH2+]C1)NCCc1ccccc1[N+](=O)[O-] ZINC000347845835 359795409 /nfs/dbraw/zinc/79/54/09/359795409.db2.gz KLTMQSHYCXYPAU-LLVKDONJSA-N 1 0 277.324 1.253 20 5 CDBDRO CS[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)C[C@@H]1[NH+](C)C ZINC000297641723 200249427 /nfs/dbraw/zinc/24/94/27/200249427.db2.gz XVJMUFLMKPBSPM-WDEREUQCSA-N 1 0 297.384 1.175 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000572118740 359848465 /nfs/dbraw/zinc/84/84/65/359848465.db2.gz LLFSPDYMJSZSSE-QWRGUYRKSA-N 1 0 294.355 1.862 20 5 CDBDRO Cc1cc(NCC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000073000401 360068193 /nfs/dbraw/zinc/06/81/93/360068193.db2.gz CMCNZFQNEMPMCP-UHFFFAOYSA-N 1 0 250.302 1.806 20 5 CDBDRO CCOc1ccc(C(=O)NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000237080214 363707927 /nfs/dbraw/zinc/70/79/27/363707927.db2.gz IWQZOSWIBXFQBD-UHFFFAOYSA-N 1 0 281.312 1.461 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+](C)CC2)n1 ZINC000166673951 360213881 /nfs/dbraw/zinc/21/38/81/360213881.db2.gz XRRVSYBKFAMUSW-UHFFFAOYSA-N 1 0 294.311 1.283 20 5 CDBDRO C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000154771412 360386241 /nfs/dbraw/zinc/38/62/41/360386241.db2.gz BGUCFJQLXIYTTH-KOLCDFICSA-N 1 0 266.301 1.121 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000178639945 189133458 /nfs/dbraw/zinc/13/34/58/189133458.db2.gz SBQIOLUDLBBUMI-VIFPVBQESA-N 1 0 292.339 1.636 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+]CC2OCCO2)cc1[N+](=O)[O-] ZINC000180267130 189247363 /nfs/dbraw/zinc/24/73/63/189247363.db2.gz XBNPGCUEULONIM-SNVBAGLBSA-N 1 0 266.297 1.927 20 5 CDBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000180445131 189255684 /nfs/dbraw/zinc/25/56/84/189255684.db2.gz WZNCCCWILJEIKS-SMDDNHRTSA-N 1 0 290.323 1.503 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000037982638 361286607 /nfs/dbraw/zinc/28/66/07/361286607.db2.gz OPKVUVUUHJEKKR-NSHDSACASA-N 1 0 284.337 1.119 20 5 CDBDRO Cc1cnn(-c2ccncc2NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000370939149 361704615 /nfs/dbraw/zinc/70/46/15/361704615.db2.gz KHARUFXVMLSPHZ-BXKDBHETSA-N 1 0 287.279 1.179 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412344460 240164389 /nfs/dbraw/zinc/16/43/89/240164389.db2.gz JGTHMPHHHLXSRK-LEWSCRJBSA-N 1 0 291.351 1.765 20 5 CDBDRO Cc1cccc(C(=O)NC[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000133652819 364998750 /nfs/dbraw/zinc/99/87/50/364998750.db2.gz GVBLBALQQFXDOV-JTQLQIEISA-N 1 0 263.297 1.243 20 5 CDBDRO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000388765180 366932923 /nfs/dbraw/zinc/93/29/23/366932923.db2.gz FITCDTRVZQKMEI-RAIGVLPGSA-N 1 0 282.344 1.321 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000414654916 241303885 /nfs/dbraw/zinc/30/38/85/241303885.db2.gz KBQZXVYMLWLETD-SNVBAGLBSA-N 1 0 294.311 1.462 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000414660911 241307975 /nfs/dbraw/zinc/30/79/75/241307975.db2.gz OVQKMROQYKGEPC-VIFPVBQESA-N 1 0 266.301 1.762 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000414662324 241308873 /nfs/dbraw/zinc/30/88/73/241308873.db2.gz QZZKSHDFHFXDTF-VIFPVBQESA-N 1 0 280.328 1.880 20 5 CDBDRO NC(=O)c1ccc(C[N@@H+]2CCCSCC2)c([N+](=O)[O-])c1 ZINC000089982605 367001907 /nfs/dbraw/zinc/00/19/07/367001907.db2.gz KERSHXPCXWDQFO-UHFFFAOYSA-N 1 0 295.364 1.633 20 5 CDBDRO [NH3+]C[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000414814060 241399262 /nfs/dbraw/zinc/39/92/62/241399262.db2.gz YXJVWHGZDSOVGH-HSBHDXMMSA-N 1 0 261.325 1.935 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000090322515 367030441 /nfs/dbraw/zinc/03/04/41/367030441.db2.gz WHNLFCQEBWCZGE-PHIMTYICSA-N 1 0 281.743 1.899 20 5 CDBDRO Cc1nc(N2C[C@H](C)[C@H]([NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000297629606 367502323 /nfs/dbraw/zinc/50/23/23/367502323.db2.gz WYQFUGTYZYKTRQ-GZMMTYOYSA-N 1 0 265.317 1.080 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417125673 242329284 /nfs/dbraw/zinc/32/92/84/242329284.db2.gz BMRZIQNDBTZFBL-MFKMUULPSA-N 1 0 294.355 1.938 20 5 CDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[NH2+]C1 ZINC000418375269 243000342 /nfs/dbraw/zinc/00/03/42/243000342.db2.gz HINFPJVFIMLLTD-LBPRGKRZSA-N 1 0 292.339 1.141 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1CCC[NH2+]C1 ZINC000414861094 370898240 /nfs/dbraw/zinc/89/82/40/370898240.db2.gz DXMPMRUOQOJAAL-VUUYWXRKSA-N 1 0 261.325 1.950 20 5 CDBDRO Cc1cc(NC[C@H]2CCC[C@@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000420292164 244035724 /nfs/dbraw/zinc/03/57/24/244035724.db2.gz WMYWYNMDFMDSOV-WDEREUQCSA-N 1 0 264.329 1.650 20 5 CDBDRO COC(=O)[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413492144 284115809 /nfs/dbraw/zinc/11/58/09/284115809.db2.gz CJTZCAWDVNCWEV-LLVKDONJSA-N 1 0 293.323 1.136 20 5 CDBDRO CNC(=O)CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000170793240 369226759 /nfs/dbraw/zinc/22/67/59/369226759.db2.gz DCPGUKGMGFNMGK-UHFFFAOYSA-N 1 0 265.313 1.471 20 5 CDBDRO [NH3+]C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CCCO1 ZINC000420383831 244181259 /nfs/dbraw/zinc/18/12/59/244181259.db2.gz FUBUVCNSEGXGQH-GFCCVEGCSA-N 1 0 295.339 1.023 20 5 CDBDRO C[NH2+]CCCN(C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000420384163 244181557 /nfs/dbraw/zinc/18/15/57/244181557.db2.gz DBHAQHAWCYLPCT-UHFFFAOYSA-N 1 0 297.355 1.524 20 5 CDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[NH2+]C1 ZINC000414891792 369280178 /nfs/dbraw/zinc/28/01/78/369280178.db2.gz XFRKMASMJYXUPX-JQWIXIFHSA-N 1 0 292.339 1.263 20 5 CDBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000351823128 369304565 /nfs/dbraw/zinc/30/45/65/369304565.db2.gz CKMXVHGJPUMYCQ-MFKMUULPSA-N 1 0 293.323 1.236 20 5 CDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@]1(CO)CCOC1 ZINC000330839765 203299141 /nfs/dbraw/zinc/29/91/41/203299141.db2.gz VWRBGUMFMWRAQV-ZDUSSCGKSA-N 1 0 266.297 1.178 20 5 CDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc([N+](=O)[O-])cc1Cl ZINC000295209695 369643303 /nfs/dbraw/zinc/64/33/03/369643303.db2.gz LITBGZQWXWQZDO-JZYVYDRUSA-N 1 0 281.699 1.196 20 5 CDBDRO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000170862718 369982205 /nfs/dbraw/zinc/98/22/05/369982205.db2.gz DJVCRBCESYINOI-MRVPVSSYSA-N 1 0 269.326 1.432 20 5 CDBDRO C[NH2+]C[C@H](C)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000414840805 370496643 /nfs/dbraw/zinc/49/66/43/370496643.db2.gz NMKMDILKFPBBPY-JTQLQIEISA-N 1 0 267.329 1.549 20 5 CDBDRO Cc1c(CC(=O)N[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000422726780 245182557 /nfs/dbraw/zinc/18/25/57/245182557.db2.gz FWLXZVXGIHYTSA-GFCCVEGCSA-N 1 0 277.324 1.314 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000170914184 372025233 /nfs/dbraw/zinc/02/52/33/372025233.db2.gz MCILQCANJNDOOT-QMMMGPOBSA-N 1 0 269.326 1.338 20 5 CDBDRO CCc1ccc(C(=O)NCC[NH2+]C)cc1[N+](=O)[O-] ZINC000151304929 373004440 /nfs/dbraw/zinc/00/44/40/373004440.db2.gz CLIJQYGJUOLSLT-UHFFFAOYSA-N 1 0 251.286 1.106 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000121817937 373236664 /nfs/dbraw/zinc/23/66/64/373236664.db2.gz LIRDCIFGYPEJCR-IUCAKERBSA-N 1 0 251.286 1.428 20 5 CDBDRO CCN1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1=O ZINC000190164539 373330136 /nfs/dbraw/zinc/33/01/36/373330136.db2.gz NEPIUFCIIXYLRM-UHFFFAOYSA-N 1 0 277.324 1.649 20 5 CDBDRO CC(C)C[C@H]([NH3+])C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810240 373400398 /nfs/dbraw/zinc/40/03/98/373400398.db2.gz NZNWEXJFOXLQMX-LBPRGKRZSA-N 1 0 279.340 1.927 20 5 CDBDRO CC[NH+](CC)CC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000272945241 373603434 /nfs/dbraw/zinc/60/34/34/373603434.db2.gz POJGDGCXRCWCQL-UHFFFAOYSA-N 1 0 281.312 1.884 20 5 CDBDRO Cc1c(CC(=O)N[C@@H](C)CC[NH3+])cccc1[N+](=O)[O-] ZINC000423504837 245862792 /nfs/dbraw/zinc/86/27/92/245862792.db2.gz LCWQZOGZDVFLIU-VIFPVBQESA-N 1 0 265.313 1.299 20 5 CDBDRO C[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000272962995 373672315 /nfs/dbraw/zinc/67/23/15/373672315.db2.gz AEOICZZUNGOFHU-RYUDHWBXSA-N 1 0 280.324 1.676 20 5 CDBDRO CC[N@H+](C)C[C@H](O)COc1ccc(F)cc1[N+](=O)[O-] ZINC000388712111 373675020 /nfs/dbraw/zinc/67/50/20/373675020.db2.gz IKMXRXBBBHFVBF-JTQLQIEISA-N 1 0 272.276 1.425 20 5 CDBDRO CC(C)(C)[NH2+]CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000153874801 374132798 /nfs/dbraw/zinc/13/27/98/374132798.db2.gz JVJZOZKQXJGENA-UHFFFAOYSA-N 1 0 298.318 1.434 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000423718087 246000630 /nfs/dbraw/zinc/00/06/30/246000630.db2.gz BSWWKVAHDJFHNP-WDEREUQCSA-N 1 0 293.323 1.930 20 5 CDBDRO C[C@@H](c1ccccn1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000091704664 374141037 /nfs/dbraw/zinc/14/10/37/374141037.db2.gz MSMVYDDXFBEJKQ-NSHDSACASA-N 1 0 275.312 1.879 20 5 CDBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000027772010 374302452 /nfs/dbraw/zinc/30/24/52/374302452.db2.gz ISKNVLQGARPEHM-SNVBAGLBSA-N 1 0 281.312 1.792 20 5 CDBDRO CC[C@@H](O)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000421861450 374338578 /nfs/dbraw/zinc/33/85/78/374338578.db2.gz UGQGLWNVKTUMAQ-GXFFZTMASA-N 1 0 295.339 1.672 20 5 CDBDRO O=[N+]([O-])c1cccc(CN(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000347136000 374354492 /nfs/dbraw/zinc/35/44/92/374354492.db2.gz TTWNJBGWWTYCLP-CQSZACIVSA-N 1 0 261.325 1.921 20 5 CDBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423820471 246116155 /nfs/dbraw/zinc/11/61/55/246116155.db2.gz CAWPSXZSDWUCBQ-RNCFNFMXSA-N 1 0 292.339 1.248 20 5 CDBDRO C[C@H](NC[C@@H]1C[NH2+]CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423487762 374384978 /nfs/dbraw/zinc/38/49/78/374384978.db2.gz XTXNJEOAVMXHCS-FZMZJTMJSA-N 1 0 278.356 1.149 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000423530189 374389112 /nfs/dbraw/zinc/38/91/12/374389112.db2.gz WONOWGGOUKSVDD-WCQYABFASA-N 1 0 279.340 1.542 20 5 CDBDRO O=[N+]([O-])c1cc2c(ncnc2NCC[NH+]2CCC2)s1 ZINC000342781894 374476299 /nfs/dbraw/zinc/47/62/99/374476299.db2.gz OICZKRQKZPVYOC-UHFFFAOYSA-N 1 0 279.325 1.717 20 5 CDBDRO CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC000423948183 246245672 /nfs/dbraw/zinc/24/56/72/246245672.db2.gz KTTXNZWTDAYEGP-LBPRGKRZSA-N 1 0 293.323 1.169 20 5 CDBDRO Nc1ccc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000376184917 374541920 /nfs/dbraw/zinc/54/19/20/374541920.db2.gz CSMXNPHGDDHVBG-VXGBXAGGSA-N 1 0 292.339 1.452 20 5 CDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[NH2+]CC1 ZINC000376389476 374554503 /nfs/dbraw/zinc/55/45/03/374554503.db2.gz WDZTWUFXSLYRSZ-LLVKDONJSA-N 1 0 293.323 1.232 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)COC ZINC000117946157 374612870 /nfs/dbraw/zinc/61/28/70/374612870.db2.gz KRJMUFIVEOKWHN-LBPRGKRZSA-N 1 0 284.312 1.090 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000070172556 374654485 /nfs/dbraw/zinc/65/44/85/374654485.db2.gz RIUJFSLRZFZNIV-NXEZZACHSA-N 1 0 280.328 1.133 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1C[NH3+] ZINC000070176310 374656090 /nfs/dbraw/zinc/65/60/90/374656090.db2.gz KZXZVUNTYHMAFD-LDYMZIIASA-N 1 0 266.301 1.122 20 5 CDBDRO O=C(NCC[N@H+]1CC=CCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000279928552 374976229 /nfs/dbraw/zinc/97/62/29/374976229.db2.gz VHOCQXUYJPRDQV-UHFFFAOYSA-N 1 0 290.323 1.978 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000280260919 374988810 /nfs/dbraw/zinc/98/88/10/374988810.db2.gz JVMWPFYDULOCIB-CHWSQXEVSA-N 1 0 280.324 1.329 20 5 CDBDRO CCOCC[C@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282495908 375090611 /nfs/dbraw/zinc/09/06/11/375090611.db2.gz QIJXPJFZPYRWPS-HNNXBMFYSA-N 1 0 296.367 1.857 20 5 CDBDRO CN(CC1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])cn1 ZINC000302523123 375212157 /nfs/dbraw/zinc/21/21/57/375212157.db2.gz YMHWOYAUHFMEAL-UHFFFAOYSA-N 1 0 264.329 1.910 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@]2(O)CCOC2)c(Cl)c1 ZINC000230146888 375526419 /nfs/dbraw/zinc/52/64/19/375526419.db2.gz NGKVQHUTFISGHL-GFCCVEGCSA-N 1 0 286.715 1.489 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C1CC(O)C1 ZINC000353500915 375619563 /nfs/dbraw/zinc/61/95/63/375619563.db2.gz YJYGCPOHRUQGPW-UHFFFAOYSA-N 1 0 293.323 1.297 20 5 CDBDRO COc1ccc(C[N@H+](C)CC2(O)CCC2)cc1[N+](=O)[O-] ZINC000353516851 375621224 /nfs/dbraw/zinc/62/12/24/375621224.db2.gz MHJHMLWRCLTNLD-UHFFFAOYSA-N 1 0 280.324 1.950 20 5 CDBDRO C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000354218937 375686052 /nfs/dbraw/zinc/68/60/52/375686052.db2.gz BYQYPYIFJLMJPO-ZJUUUORDSA-N 1 0 277.324 1.924 20 5 CDBDRO Cc1nc(NC[C@@H](O)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000133121648 375691408 /nfs/dbraw/zinc/69/14/08/375691408.db2.gz CROVWXAZAGEITH-GFCCVEGCSA-N 1 0 294.355 1.557 20 5 CDBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000354572312 375725607 /nfs/dbraw/zinc/72/56/07/375725607.db2.gz QGTVAXYYBOLNCS-GFCCVEGCSA-N 1 0 291.355 1.553 20 5 CDBDRO C[C@@H]1[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000354621747 375733426 /nfs/dbraw/zinc/73/34/26/375733426.db2.gz YTJHRKMULTZRHW-BXKDBHETSA-N 1 0 293.323 1.513 20 5 CDBDRO [NH3+]CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000307830473 375803309 /nfs/dbraw/zinc/80/33/09/375803309.db2.gz ZNOQJGDNBDJBMY-VIFPVBQESA-N 1 0 291.229 1.604 20 5 CDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])c(C2CC2)n1)C1CC1 ZINC000357437938 375910654 /nfs/dbraw/zinc/91/06/54/375910654.db2.gz LQGFBBMGOTUAGR-LLVKDONJSA-N 1 0 280.328 1.124 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000307908799 375896481 /nfs/dbraw/zinc/89/64/81/375896481.db2.gz UUNAVLRQCWSATE-NSHDSACASA-N 1 0 278.312 1.857 20 5 CDBDRO COC(=O)CC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000358268355 375960653 /nfs/dbraw/zinc/96/06/53/375960653.db2.gz AIHHKTZWNDXCBQ-UHFFFAOYSA-N 1 0 296.327 1.066 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000429219605 247437809 /nfs/dbraw/zinc/43/78/09/247437809.db2.gz BVVOYNJQJSVNQQ-LLVKDONJSA-N 1 0 293.367 1.844 20 5 CDBDRO Cc1nn(C)c(N2CC[N@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000487062940 376618713 /nfs/dbraw/zinc/61/87/13/376618713.db2.gz STEQQNZWBWZIHB-LLVKDONJSA-N 1 0 281.360 1.413 20 5 CDBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000171978941 377198903 /nfs/dbraw/zinc/19/89/03/377198903.db2.gz VTHAHYYMWDMOQV-LDYMZIIASA-N 1 0 251.286 1.509 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CC[N@@H+]1C ZINC000357405702 377342489 /nfs/dbraw/zinc/34/24/89/377342489.db2.gz BQBTYOGGTUSEQK-UWVGGRQHSA-N 1 0 280.328 1.146 20 5 CDBDRO Cc1c(C[N@@H+]2CCC[C@H](OCCO)C2)cccc1[N+](=O)[O-] ZINC000172293971 377432440 /nfs/dbraw/zinc/43/24/40/377432440.db2.gz BLZQTTBXXJZRDG-AWEZNQCLSA-N 1 0 294.351 1.877 20 5 CDBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000385671950 377844556 /nfs/dbraw/zinc/84/45/56/377844556.db2.gz HPXUCFDNXBFCGN-PWSUYJOCSA-N 1 0 250.298 1.798 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000069848022 378914864 /nfs/dbraw/zinc/91/48/64/378914864.db2.gz GRPFQTGBQLNVAJ-LBPRGKRZSA-N 1 0 266.297 1.430 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000083662387 285088838 /nfs/dbraw/zinc/08/88/38/285088838.db2.gz FVEZARHGPOQEOI-PHIMTYICSA-N 1 0 281.743 1.899 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@@H+](CCO)C2CC2)cc1 ZINC000048347619 285110623 /nfs/dbraw/zinc/11/06/23/285110623.db2.gz PMSARAXXOWEUBX-UHFFFAOYSA-N 1 0 250.298 1.594 20 5 CDBDRO C[NH+](C)CC1(NC(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000281140830 195120847 /nfs/dbraw/zinc/12/08/47/195120847.db2.gz VFCVEWMHJYQVRY-UHFFFAOYSA-N 1 0 277.324 1.809 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2(O)CCC2)n1 ZINC000447535637 285168548 /nfs/dbraw/zinc/16/85/48/285168548.db2.gz HLSYFAGSMRIBCE-VXGBXAGGSA-N 1 0 294.355 1.780 20 5 CDBDRO CC[NH+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000505592125 254090630 /nfs/dbraw/zinc/09/06/30/254090630.db2.gz WWJLKCGDWLHFQL-UHFFFAOYSA-N 1 0 267.304 1.871 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000286357833 390198871 /nfs/dbraw/zinc/19/88/71/390198871.db2.gz XZNQHFKVUSVPMA-JFGNBEQYSA-N 1 0 277.324 1.709 20 5 CDBDRO Cc1nc(N2CCC[C@H]2C[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000450455879 390474108 /nfs/dbraw/zinc/47/41/08/390474108.db2.gz OWAGLDYZYJFCQG-LBPRGKRZSA-N 1 0 291.355 1.758 20 5 CDBDRO C[C@@H]([NH3+])CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000178628331 390817139 /nfs/dbraw/zinc/81/71/39/390817139.db2.gz ISLARXSAJPDQMJ-SNVBAGLBSA-N 1 0 280.328 1.250 20 5 CDBDRO CC[C@@H](CO)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411777010 390968271 /nfs/dbraw/zinc/96/82/71/390968271.db2.gz ZAWUOXCMIZQAGF-LBPRGKRZSA-N 1 0 295.339 1.626 20 5 CDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000111828997 391116666 /nfs/dbraw/zinc/11/66/66/391116666.db2.gz LDTNCLDMHTWSAC-JTQLQIEISA-N 1 0 283.303 1.837 20 5 CDBDRO Cc1ccc(CN2CCCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415118207 391259846 /nfs/dbraw/zinc/25/98/46/391259846.db2.gz XTQZCCJVMCBWSG-CYBMUJFWSA-N 1 0 279.340 1.453 20 5 CDBDRO Cc1cc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000408068504 391239198 /nfs/dbraw/zinc/23/91/98/391239198.db2.gz VPXNXCQLXICPAZ-QWRGUYRKSA-N 1 0 264.329 1.827 20 5 CDBDRO C[C@H]([NH2+][C@H]1COC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000323259485 391411814 /nfs/dbraw/zinc/41/18/14/391411814.db2.gz GITKKPWSHVHADR-KPXOXKRLSA-N 1 0 252.270 1.005 20 5 CDBDRO Cc1cc(NC(=O)NCC2([NH3+])CCC2)ccc1[N+](=O)[O-] ZINC000415446219 391444037 /nfs/dbraw/zinc/44/40/37/391444037.db2.gz WNFZYNXIARVMLO-UHFFFAOYSA-N 1 0 278.312 1.906 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415627330 391469433 /nfs/dbraw/zinc/46/94/33/391469433.db2.gz BJACZUHGPQHWGU-QPUJVOFHSA-N 1 0 296.302 1.983 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415630358 391469644 /nfs/dbraw/zinc/46/96/44/391469644.db2.gz KVHPWAPOQOPMDO-MRVPVSSYSA-N 1 0 284.291 1.853 20 5 CDBDRO CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000415633335 391470074 /nfs/dbraw/zinc/47/00/74/391470074.db2.gz QLYRYKGYXPLJOE-LBPRGKRZSA-N 1 0 296.302 1.935 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415631379 391470193 /nfs/dbraw/zinc/47/01/93/391470193.db2.gz MPLPMEHLPZMEDC-DTWKUNHWSA-N 1 0 296.302 1.948 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415632956 391470242 /nfs/dbraw/zinc/47/02/42/391470242.db2.gz PNYCXLJGYSUONO-SSDOTTSWSA-N 1 0 270.264 1.593 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[NH3+] ZINC000415758799 391471489 /nfs/dbraw/zinc/47/14/89/391471489.db2.gz IBNBXSWWXYFMMN-MRVPVSSYSA-N 1 0 266.301 1.626 20 5 CDBDRO Cc1cc(NC(=O)NC[C@@H]([NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000415430312 391414444 /nfs/dbraw/zinc/41/44/44/391414444.db2.gz JMOGAYJFWFOZMM-LLVKDONJSA-N 1 0 278.312 1.762 20 5 CDBDRO CC(C)[C@@H](C[NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000087530946 391527994 /nfs/dbraw/zinc/52/79/94/391527994.db2.gz QUURWHOAJJRCJH-CYBMUJFWSA-N 1 0 279.340 1.484 20 5 CDBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000122067778 391777254 /nfs/dbraw/zinc/77/72/54/391777254.db2.gz AKPDCZNIFBNDAP-GFCCVEGCSA-N 1 0 268.317 1.416 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000262524958 391794217 /nfs/dbraw/zinc/79/42/17/391794217.db2.gz KNGIENCOADXIRA-JTQLQIEISA-N 1 0 292.339 1.272 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134308130 391942847 /nfs/dbraw/zinc/94/28/47/391942847.db2.gz LONKHVUZXPVHGV-SNVBAGLBSA-N 1 0 295.314 1.806 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000237088526 131003527 /nfs/dbraw/zinc/00/35/27/131003527.db2.gz PUZKZFBSMJWTAF-LBPRGKRZSA-N 1 0 293.323 1.184 20 5 CDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000237446361 131032465 /nfs/dbraw/zinc/03/24/65/131032465.db2.gz IXNBLQXOBZLQRE-UWVGGRQHSA-N 1 0 297.380 1.881 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)C2([NH3+])CC2)cc1[N+](=O)[O-] ZINC000237488811 131036183 /nfs/dbraw/zinc/03/61/83/131036183.db2.gz VFRIEEIUJKJHNM-SECBINFHSA-N 1 0 263.297 1.572 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261580183 131153847 /nfs/dbraw/zinc/15/38/47/131153847.db2.gz FGDBVNCQAPGJCK-SCZZXKLOSA-N 1 0 281.337 1.480 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261580188 131154087 /nfs/dbraw/zinc/15/40/87/131154087.db2.gz FGDBVNCQAPGJCK-WPRPVWTQSA-N 1 0 281.337 1.480 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000261592997 131155305 /nfs/dbraw/zinc/15/53/05/131155305.db2.gz MRZYQDUYJKMSJF-FYBVGQRMSA-N 1 0 283.353 1.773 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261680902 131161784 /nfs/dbraw/zinc/16/17/84/131161784.db2.gz MKFLDASYCFMCJG-RISCZKNCSA-N 1 0 289.335 1.727 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261732235 131164835 /nfs/dbraw/zinc/16/48/35/131164835.db2.gz LFRHPLSADLIEAO-PWSUYJOCSA-N 1 0 275.308 1.419 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000261972295 131180200 /nfs/dbraw/zinc/18/02/00/131180200.db2.gz DRJWGYZKJLLESE-UWVGGRQHSA-N 1 0 292.339 1.376 20 5 CDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CCC[NH2+]C1 ZINC000261995712 131182029 /nfs/dbraw/zinc/18/20/29/131182029.db2.gz NRWPEQRVYAVDKP-VHSXEESVSA-N 1 0 292.339 1.295 20 5 CDBDRO Nc1c(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc(F)cc1[N+](=O)[O-] ZINC000262579836 131236056 /nfs/dbraw/zinc/23/60/56/131236056.db2.gz LOYQFPXLKGHWPD-OIBJUYFYSA-N 1 0 296.302 1.173 20 5 CDBDRO CCc1ccc(C(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262739768 131257074 /nfs/dbraw/zinc/25/70/74/131257074.db2.gz DMVHEIIMDPOANI-GHMZBOCLSA-N 1 0 291.351 1.980 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000262827321 131265439 /nfs/dbraw/zinc/26/54/39/131265439.db2.gz PZTITRFTDHVFBG-QWRGUYRKSA-N 1 0 292.339 1.121 20 5 CDBDRO Cc1cc(C(=O)NCC[N@@H+](C)C2CC2)c(N)c([N+](=O)[O-])c1 ZINC000264140185 131399579 /nfs/dbraw/zinc/39/95/79/131399579.db2.gz WIGUUZQUWVWLIJ-UHFFFAOYSA-N 1 0 292.339 1.309 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000442762037 392491777 /nfs/dbraw/zinc/49/17/77/392491777.db2.gz ZPMIZKGIDRBBEV-NXEZZACHSA-N 1 0 290.323 1.905 20 5 CDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000524775250 392919170 /nfs/dbraw/zinc/91/91/70/392919170.db2.gz ANFAZBDCYJMSEP-SECBINFHSA-N 1 0 267.285 1.259 20 5 CDBDRO CCC([NH3+])(CC)CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000420205871 392903923 /nfs/dbraw/zinc/90/39/23/392903923.db2.gz UUPHRNBBQAHYMT-UHFFFAOYSA-N 1 0 253.306 1.623 20 5 CDBDRO [NH3+]C1(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000417953197 392876304 /nfs/dbraw/zinc/87/63/04/392876304.db2.gz ZBZCCWZAEPUCEG-UHFFFAOYSA-N 1 0 292.339 1.318 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418346785 392880516 /nfs/dbraw/zinc/88/05/16/392880516.db2.gz CTVFEYHGTLTRAI-LLVKDONJSA-N 1 0 278.312 1.098 20 5 CDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1CCC[NH2+]C1 ZINC000269173051 132124854 /nfs/dbraw/zinc/12/48/54/132124854.db2.gz FZIRAJPIMZTHBV-NXEZZACHSA-N 1 0 292.339 1.295 20 5 CDBDRO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000269205926 132131051 /nfs/dbraw/zinc/13/10/51/132131051.db2.gz LURPHDZODWPXDD-BXUZGUMPSA-N 1 0 291.351 1.723 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000421708126 392942013 /nfs/dbraw/zinc/94/20/13/392942013.db2.gz ZFFRBUQSIKPXMB-CQSZACIVSA-N 1 0 291.351 1.690 20 5 CDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC[NH2+]C1 ZINC000269237740 132139574 /nfs/dbraw/zinc/13/95/74/132139574.db2.gz LTWRBKJZLNZUAB-QMMMGPOBSA-N 1 0 283.715 1.474 20 5 CDBDRO CC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000421889428 392946254 /nfs/dbraw/zinc/94/62/54/392946254.db2.gz XDMNWVUKYGIQCG-TUAOUCFPSA-N 1 0 282.344 1.636 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]([NH3+])CC ZINC000423672825 392965940 /nfs/dbraw/zinc/96/59/40/392965940.db2.gz FESZGEJXFSHYKH-SECBINFHSA-N 1 0 281.312 1.461 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000430210180 393093700 /nfs/dbraw/zinc/09/37/00/393093700.db2.gz CPXBIYRSINNROB-GXFFZTMASA-N 1 0 280.324 1.806 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC[C@H](C)O ZINC000430223102 393095069 /nfs/dbraw/zinc/09/50/69/393095069.db2.gz XFPUEJLREPETQH-JTQLQIEISA-N 1 0 268.313 1.806 20 5 CDBDRO C[N@@H+]1CC[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000531520066 393062807 /nfs/dbraw/zinc/06/28/07/393062807.db2.gz NRUGFWLELMAZLC-GFCCVEGCSA-N 1 0 289.335 1.431 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000449721626 393139410 /nfs/dbraw/zinc/13/94/10/393139410.db2.gz UJXWVBGODUOURC-NXEZZACHSA-N 1 0 293.323 1.461 20 5 CDBDRO Nc1c(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000449711356 393139773 /nfs/dbraw/zinc/13/97/73/393139773.db2.gz DHAAHFQRWGNXDY-IUCAKERBSA-N 1 0 278.312 1.034 20 5 CDBDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000449715280 393139978 /nfs/dbraw/zinc/13/99/78/393139978.db2.gz ITBYGIVYYDCRJO-TZMCWYRMSA-N 1 0 280.324 1.797 20 5 CDBDRO C[N@H+]1CC=C(CNc2ncc([N+](=O)[O-])s2)CC1 ZINC000281850478 393159944 /nfs/dbraw/zinc/15/99/44/393159944.db2.gz JKQYQPPQTZQXMQ-UHFFFAOYSA-N 1 0 254.315 1.725 20 5 CDBDRO CCCN(c1ncc(C)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000090692619 139684143 /nfs/dbraw/zinc/68/41/43/139684143.db2.gz YBPABTPFWDLECZ-NSHDSACASA-N 1 0 264.329 1.877 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000185086205 140036238 /nfs/dbraw/zinc/03/62/38/140036238.db2.gz VZMFKBBOEOIPAX-ZWKOPEQDSA-N 1 0 290.323 1.108 20 5 CDBDRO COCC[NH2+]CCNc1c(C)cccc1[N+](=O)[O-] ZINC000216432298 140163286 /nfs/dbraw/zinc/16/32/86/140163286.db2.gz GGPHDBCEYZBHTG-UHFFFAOYSA-N 1 0 253.302 1.551 20 5 CDBDRO C[NH+](C)CCOCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000226738469 140181596 /nfs/dbraw/zinc/18/15/96/140181596.db2.gz AFVSOLVJWXDKFB-UHFFFAOYSA-N 1 0 299.356 1.294 20 5 CDBDRO COc1cc(NC[C@@H]2CC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000227860789 140188750 /nfs/dbraw/zinc/18/87/50/140188750.db2.gz GXULLBXYLFTVJY-MRVPVSSYSA-N 1 0 269.276 1.764 20 5 CDBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000235649624 140236601 /nfs/dbraw/zinc/23/66/01/140236601.db2.gz MYLXZJPSRFLRES-KWQFWETISA-N 1 0 264.285 1.406 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)cc([N+](=O)[O-])c1 ZINC000261582601 140356171 /nfs/dbraw/zinc/35/61/71/140356171.db2.gz GRVZMGGSBFZKGL-BXKDBHETSA-N 1 0 263.297 1.465 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261637786 140367083 /nfs/dbraw/zinc/36/70/83/140367083.db2.gz IJSUWQIUYPJYQK-OAHLLOKOSA-N 1 0 289.335 1.729 20 5 CDBDRO COc1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000261779085 140389215 /nfs/dbraw/zinc/38/92/15/140389215.db2.gz WUDYBSRCBDMLKJ-UWVGGRQHSA-N 1 0 295.314 1.788 20 5 CDBDRO Cc1c(CN2C[C@@H](C)O[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000191778096 397676166 /nfs/dbraw/zinc/67/61/66/397676166.db2.gz OGTRGVYEVDYXSY-MFKMUULPSA-N 1 0 280.324 1.485 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000101961589 147143522 /nfs/dbraw/zinc/14/35/22/147143522.db2.gz DSPLQJHOGMPKOE-UHFFFAOYSA-N 1 0 255.274 1.258 20 5 CDBDRO O=[N+]([O-])c1ccn(CCN2CC[NH+](C3CCCC3)CC2)n1 ZINC000176204707 148026446 /nfs/dbraw/zinc/02/64/46/148026446.db2.gz AFOXBQOPGRGWOM-UHFFFAOYSA-N 1 0 293.371 1.352 20 5 CDBDRO C[NH2+]C[C@@H](C)CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000311455667 149214262 /nfs/dbraw/zinc/21/42/62/149214262.db2.gz DLUDNLLXPHXSPP-SSDOTTSWSA-N 1 0 281.341 1.867 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000334042190 149306206 /nfs/dbraw/zinc/30/62/06/149306206.db2.gz HZMABFILNMVJGY-UWVGGRQHSA-N 1 0 295.314 1.946 20 5 CDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[N@@H+]1CCCC[C@@H]1C ZINC000343071563 152021130 /nfs/dbraw/zinc/02/11/30/152021130.db2.gz FTPINOSKRMRRAG-QWRGUYRKSA-N 1 0 294.355 1.916 20 5 CDBDRO C[C@H]1[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343542654 152216911 /nfs/dbraw/zinc/21/69/11/152216911.db2.gz YQTOSXTVPMTYTH-JOYOIKCWSA-N 1 0 295.314 1.946 20 5 CDBDRO CO[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000343545648 152218468 /nfs/dbraw/zinc/21/84/68/152218468.db2.gz ZAMKFAZQBRJVNL-VXGBXAGGSA-N 1 0 296.323 1.055 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+](C)C ZINC000346141224 153067730 /nfs/dbraw/zinc/06/77/30/153067730.db2.gz QILOLMCGOMZNAZ-SNVBAGLBSA-N 1 0 265.313 1.583 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)CC[NH+](C)C)n1 ZINC000359095069 158125233 /nfs/dbraw/zinc/12/52/33/158125233.db2.gz JMAJKEDEEUCSRT-UHFFFAOYSA-N 1 0 252.318 1.604 20 5 CDBDRO C[C@@H](CCN1CCOCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000124243005 286809464 /nfs/dbraw/zinc/80/94/64/286809464.db2.gz YIGLQAGCGXERIJ-ZDUSSCGKSA-N 1 0 293.367 1.795 20 5 CDBDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000372453226 160122502 /nfs/dbraw/zinc/12/25/02/160122502.db2.gz GWTKMCNHTURMRF-ZOWXZIJZSA-N 1 0 290.319 1.824 20 5 CDBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000035272171 172092844 /nfs/dbraw/zinc/09/28/44/172092844.db2.gz BYPDTJUUJGMPOM-NSHDSACASA-N 1 0 260.297 1.970 20 5 CDBDRO CO[C@H](C)C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000285569986 196330733 /nfs/dbraw/zinc/33/07/33/196330733.db2.gz HOZUTKBKDVREFX-NEPJUHHUSA-N 1 0 298.339 1.301 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCC[NH2+]1 ZINC000037500386 173238128 /nfs/dbraw/zinc/23/81/28/173238128.db2.gz QLKZYHDLWKELSN-LLVKDONJSA-N 1 0 263.297 1.305 20 5 CDBDRO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000040459108 174269191 /nfs/dbraw/zinc/26/91/91/174269191.db2.gz SJNMUZHZAWYHFO-KWQFWETISA-N 1 0 251.286 1.907 20 5 CDBDRO CC(C)(C)[C@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000040464071 174273683 /nfs/dbraw/zinc/27/36/83/174273683.db2.gz KZMPZPGCOYNTAF-LLVKDONJSA-N 1 0 265.313 1.584 20 5 CDBDRO Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000040740786 174391099 /nfs/dbraw/zinc/39/10/99/174391099.db2.gz MNLHBLRIOLOYOM-FUNVUKJBSA-N 1 0 289.335 1.916 20 5 CDBDRO COCCOCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000044424283 175174391 /nfs/dbraw/zinc/17/43/91/175174391.db2.gz NITLPLCJQYCVIM-UHFFFAOYSA-N 1 0 268.313 1.656 20 5 CDBDRO COc1ccc(C(=O)NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000044492181 175180848 /nfs/dbraw/zinc/18/08/48/175180848.db2.gz JEYNIZVEVWXSND-LLVKDONJSA-N 1 0 293.323 1.475 20 5 CDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])o1 ZINC000044492306 175181012 /nfs/dbraw/zinc/18/10/12/175181012.db2.gz DFTWXUMIBHNVID-QMMMGPOBSA-N 1 0 253.258 1.060 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000044528751 175193491 /nfs/dbraw/zinc/19/34/91/175193491.db2.gz DJSUBOHACWPMHC-JTQLQIEISA-N 1 0 278.312 1.797 20 5 CDBDRO Cc1cc(C(=O)N2CCC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000044528685 175193577 /nfs/dbraw/zinc/19/35/77/175193577.db2.gz VYMCPFITCDFDHH-NSHDSACASA-N 1 0 277.324 1.714 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCCC[N@@H+]1C ZINC000044563279 175206342 /nfs/dbraw/zinc/20/63/42/175206342.db2.gz ZZOLXWXIZSXMLW-VIFPVBQESA-N 1 0 253.306 1.225 20 5 CDBDRO C[NH2+]C[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000071147861 176044033 /nfs/dbraw/zinc/04/40/33/176044033.db2.gz VTUDEXJTPZHUHS-SECBINFHSA-N 1 0 253.277 1.780 20 5 CDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CC[NH2+]C1 ZINC000071312410 176119256 /nfs/dbraw/zinc/11/92/56/176119256.db2.gz DNFWGKPDKSUVSM-JTQLQIEISA-N 1 0 281.287 1.558 20 5 CDBDRO CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000071314009 176120645 /nfs/dbraw/zinc/12/06/45/176120645.db2.gz DCAHLAGMOPECNG-LBPRGKRZSA-N 1 0 279.340 1.787 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]C1 ZINC000071397174 176150811 /nfs/dbraw/zinc/15/08/11/176150811.db2.gz OTUDQCULCHBGBW-LLVKDONJSA-N 1 0 263.297 1.006 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000071397026 176150904 /nfs/dbraw/zinc/15/09/04/176150904.db2.gz LQMLMAWTMRJFEC-SNVBAGLBSA-N 1 0 263.297 1.385 20 5 CDBDRO NC(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000078660426 177367645 /nfs/dbraw/zinc/36/76/45/177367645.db2.gz HLKLSCMOHVTYMP-UHFFFAOYSA-N 1 0 277.324 1.873 20 5 CDBDRO COc1ccc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000070078703 260151240 /nfs/dbraw/zinc/15/12/40/260151240.db2.gz DFZVRPSMTVKFMB-PHIMTYICSA-N 1 0 279.340 1.786 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000390017777 262076136 /nfs/dbraw/zinc/07/61/36/262076136.db2.gz VLEWZEKYESSSCA-NSHDSACASA-N 1 0 293.323 1.012 20 5 CDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000525805719 262368210 /nfs/dbraw/zinc/36/82/10/262368210.db2.gz KOUHOJFGRFJYTR-JTQLQIEISA-N 1 0 295.314 1.806 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000320865689 270329341 /nfs/dbraw/zinc/32/93/41/270329341.db2.gz NKLNUMXNNCLDFG-DBWQMSJVSA-N 1 0 277.324 1.850 20 5 CDBDRO C[C@@H]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1C[NH3+] ZINC000397370270 270350091 /nfs/dbraw/zinc/35/00/91/270350091.db2.gz GZIJZEHDWIAGNR-KXUCPTDWSA-N 1 0 280.328 1.368 20 5 CDBDRO C[NH2+]CCN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000414667971 273961018 /nfs/dbraw/zinc/96/10/18/273961018.db2.gz YFRFOQSBTAFFNT-UHFFFAOYSA-N 1 0 266.301 1.586 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261816141 275035874 /nfs/dbraw/zinc/03/58/74/275035874.db2.gz STINNDOWOXUGHP-GWCFXTLKSA-N 1 0 279.315 1.918 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000266445743 277938046 /nfs/dbraw/zinc/93/80/46/277938046.db2.gz WRUIMRUVIZZUEG-GFCCVEGCSA-N 1 0 295.339 1.370 20 5 CDBDRO C[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000266096699 278198347 /nfs/dbraw/zinc/19/83/47/278198347.db2.gz QSCJPLOGGDLUMJ-SNVBAGLBSA-N 1 0 265.313 1.204 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000129239611 278931703 /nfs/dbraw/zinc/93/17/03/278931703.db2.gz OBRCZFNGUKPTNC-SNVBAGLBSA-N 1 0 263.297 1.370 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CCN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000116388613 279344670 /nfs/dbraw/zinc/34/46/70/279344670.db2.gz DJRAUYINOATKNI-JOYOIKCWSA-N 1 0 263.297 1.476 20 5 CDBDRO [NH3+]C1(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCC1 ZINC000230064680 280114196 /nfs/dbraw/zinc/11/41/96/280114196.db2.gz SBJSYUSYFKSIQT-AATRIKPKSA-N 1 0 275.308 1.606 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCC[C@H]1CO ZINC000230681783 280117794 /nfs/dbraw/zinc/11/77/94/280117794.db2.gz DDIJGISUNMGQBS-RYUDHWBXSA-N 1 0 250.298 1.845 20 5 CDBDRO COCC(C)(C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000154884241 289220292 /nfs/dbraw/zinc/22/02/92/289220292.db2.gz XWGUXLABOVQNJU-UHFFFAOYSA-N 1 0 281.312 1.548 20 5 CDBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000557776651 290368867 /nfs/dbraw/zinc/36/88/67/290368867.db2.gz CXECUJYCSBOUTN-SNVBAGLBSA-N 1 0 295.343 1.264 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000562938372 293220733 /nfs/dbraw/zinc/22/07/33/293220733.db2.gz KNHQCYOMSVUSFK-JTQLQIEISA-N 1 0 280.328 1.100 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000567261914 293747450 /nfs/dbraw/zinc/74/74/50/293747450.db2.gz WZGOQGAVVRIIDB-JTQLQIEISA-N 1 0 280.328 1.195 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000568625213 294070584 /nfs/dbraw/zinc/07/05/84/294070584.db2.gz YRQGBFQFLUZWNT-HZMBPMFUSA-N 1 0 289.335 1.478 20 5 CDBDRO CC(C)[C@@H]1C[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572595673 294652629 /nfs/dbraw/zinc/65/26/29/294652629.db2.gz UTPHGLMFBHCZAQ-FRRDWIJNSA-N 1 0 294.351 1.969 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)n1 ZINC000574914384 295076367 /nfs/dbraw/zinc/07/63/67/295076367.db2.gz MKNJMAHHTPXZHW-STQMWFEESA-N 1 0 294.355 1.682 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000381465071 323628051 /nfs/dbraw/zinc/62/80/51/323628051.db2.gz JUTZPJXLMWVITB-VCQGXKKCSA-N 1 0 263.297 1.460 20 5 CDBDRO COC[C@](C)(O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000382579792 323649075 /nfs/dbraw/zinc/64/90/75/323649075.db2.gz XGBOCNNWLOYVFO-ZWNOBZJWSA-N 1 0 268.313 1.643 20 5 CDBDRO Cc1cccc(C(=O)N[C@@H](CC[NH3+])C(F)F)c1[N+](=O)[O-] ZINC000383459150 323668221 /nfs/dbraw/zinc/66/82/21/323668221.db2.gz JGDGHGUKNGAPCB-VIFPVBQESA-N 1 0 287.266 1.616 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000389724393 323808250 /nfs/dbraw/zinc/80/82/50/323808250.db2.gz JLRYCWBTAZBUIV-MWLCHTKSSA-N 1 0 277.324 1.631 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H]2C[NH2+]CCCO2)cc([N+](=O)[O-])c1 ZINC000389979923 323815211 /nfs/dbraw/zinc/81/52/11/323815211.db2.gz KGJMUTPODZAVKA-ZDUSSCGKSA-N 1 0 293.323 1.012 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000582241565 324937536 /nfs/dbraw/zinc/93/75/36/324937536.db2.gz YKNQLMGMDPJHQZ-SFYZADRCSA-N 1 0 284.291 1.981 20 5 CDBDRO CC[C@H](CO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582617418 325011910 /nfs/dbraw/zinc/01/19/10/325011910.db2.gz VYIDZPXRFZGAKB-BXKDBHETSA-N 1 0 250.298 1.943 20 5 CDBDRO CC[N@H+](C)CCNc1c(OC)cccc1[N+](=O)[O-] ZINC000583332555 325155849 /nfs/dbraw/zinc/15/58/49/325155849.db2.gz LGFBUAXVCFRVJH-UHFFFAOYSA-N 1 0 253.302 1.967 20 5 CDBDRO Cc1c(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)cccc1[N+](=O)[O-] ZINC000584151265 327050460 /nfs/dbraw/zinc/05/04/60/327050460.db2.gz RMUJYKBRYMWMGN-ZDUSSCGKSA-N 1 0 291.351 1.956 20 5 CDBDRO C[NH+](C)C[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(N)n1 ZINC000167823820 1159230434 /nfs/dbraw/zinc/23/04/34/1159230434.db2.gz YQWWNIILMPUNHL-VIFPVBQESA-N 1 0 265.317 1.102 20 5 CDBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245845382 524368524 /nfs/dbraw/zinc/36/85/24/524368524.db2.gz DOCQYSDOVSRBOP-WVWOOGAGSA-N 1 0 296.371 1.567 20 5 CDBDRO COc1ccc(NC(=O)[C@@H]([NH3+])CCSC)cc1[N+](=O)[O-] ZINC000136480951 524589661 /nfs/dbraw/zinc/58/96/61/524589661.db2.gz UDWAMWSTRQZISX-VIFPVBQESA-N 1 0 299.352 1.622 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)C[NH+]1CCCC1 ZINC000055538871 524719774 /nfs/dbraw/zinc/71/97/74/524719774.db2.gz LAUBITYXXXILCS-JTQLQIEISA-N 1 0 281.312 1.650 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000063170766 524833100 /nfs/dbraw/zinc/83/31/00/524833100.db2.gz SIKSFFFXUZSSQP-QMMMGPOBSA-N 1 0 252.274 1.454 20 5 CDBDRO C[C@H](O)[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000183212854 525849106 /nfs/dbraw/zinc/84/91/06/525849106.db2.gz SXGURKCDJVPVLM-RYUDHWBXSA-N 1 0 280.324 1.676 20 5 CDBDRO Cc1c([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cnn1C ZINC000183326246 525894108 /nfs/dbraw/zinc/89/41/08/525894108.db2.gz HHCGXGMANMOKAQ-SECBINFHSA-N 1 0 278.316 1.184 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000237831542 527209474 /nfs/dbraw/zinc/20/94/74/527209474.db2.gz OYBBKXOBYVVDRH-LBPRGKRZSA-N 1 0 293.323 1.313 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCCC[NH+]1CCCC1 ZINC000061547481 527245473 /nfs/dbraw/zinc/24/54/73/527245473.db2.gz VRDFCTUSKLCSDX-UHFFFAOYSA-N 1 0 291.351 1.739 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365377282 527270511 /nfs/dbraw/zinc/27/05/11/527270511.db2.gz IFXVMSWSGFJCEM-TZMCWYRMSA-N 1 0 289.335 1.348 20 5 CDBDRO Cn1cnnc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000050417759 527524150 /nfs/dbraw/zinc/52/41/50/527524150.db2.gz KNGKBOQMECSUOB-UHFFFAOYSA-N 1 0 261.285 1.056 20 5 CDBDRO CCc1[nH]nc(-c2nc([C@H]([NH3+])CC(C)C)no2)c1[N+](=O)[O-] ZINC000414619229 535997215 /nfs/dbraw/zinc/99/72/15/535997215.db2.gz NSHOYXYNQDLPMQ-SSDOTTSWSA-N 1 0 294.315 1.976 20 5 CDBDRO C[NH2+]C[C@H]1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)C1 ZINC000227860161 536468299 /nfs/dbraw/zinc/46/82/99/536468299.db2.gz GHQYDLCXVLQZJY-SECBINFHSA-N 1 0 283.303 1.788 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC1([NH+](C)C)CC1 ZINC000416306991 536885855 /nfs/dbraw/zinc/88/58/55/536885855.db2.gz IUQJNASUFVKYFF-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO Cc1cccc(C(=O)NOC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000773550714 575823687 /nfs/dbraw/zinc/82/36/87/575823687.db2.gz DLCBFWRPJGZFGD-UHFFFAOYSA-N 1 0 293.323 1.659 20 5 CDBDRO COCCOC[C@@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000742376792 576598933 /nfs/dbraw/zinc/59/89/33/576598933.db2.gz HJDCIQPXHHNZNM-LLVKDONJSA-N 1 0 298.339 1.745 20 5 CDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000744344907 576675955 /nfs/dbraw/zinc/67/59/55/576675955.db2.gz HPZDNADBENMTRX-GFCCVEGCSA-N 1 0 291.351 1.738 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](CCO)c2cccs2)n1 ZINC000754382673 576894110 /nfs/dbraw/zinc/89/41/10/576894110.db2.gz HHQUOIWRBXPQNY-SNVBAGLBSA-N 1 0 296.352 1.566 20 5 CDBDRO O=[N+]([O-])c1c(F)cccc1N1CC[NH+](CCCCO)CC1 ZINC000750180440 576980829 /nfs/dbraw/zinc/98/08/29/576980829.db2.gz NSFFNXUIBGAEMO-UHFFFAOYSA-N 1 0 297.330 1.628 20 5 CDBDRO C[C@@H]1COC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000932490163 617315075 /nfs/dbraw/zinc/31/50/75/617315075.db2.gz VGAYANATGLDBDE-WQAKAFBOSA-N 1 0 266.297 1.253 20 5 CDBDRO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CC2CCCC2)C1 ZINC000950055612 614651569 /nfs/dbraw/zinc/65/15/69/614651569.db2.gz GNXKDRPWHZOYPZ-ZIAGYGMSSA-N 1 0 295.383 1.375 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](CNc2c([N+](=O)[O-])cnn2C)C1 ZINC000892123469 617492537 /nfs/dbraw/zinc/49/25/37/617492537.db2.gz STKFPIRXYNNNIZ-JTQLQIEISA-N 1 0 267.333 1.472 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC1CC[NH+](C2CC2)CC1 ZINC000891661139 617527915 /nfs/dbraw/zinc/52/79/15/617527915.db2.gz FYFWRTMBWWKKJX-UHFFFAOYSA-N 1 0 265.317 1.367 20 5 CDBDRO CC[C@H]1C[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C[C@H]1O ZINC000892242008 617573008 /nfs/dbraw/zinc/57/30/08/617573008.db2.gz NNMDJMRLVZPLKZ-JOYOIKCWSA-N 1 0 296.323 1.512 20 5 CDBDRO C[C@H](CNc1c([N+](=O)[O-])cnn1C)[N@H+](C)C1CC1 ZINC000892302753 617724867 /nfs/dbraw/zinc/72/48/67/617724867.db2.gz ALYQKPZYJZGGGW-MRVPVSSYSA-N 1 0 253.306 1.223 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000892982674 618018951 /nfs/dbraw/zinc/01/89/51/618018951.db2.gz AOVSMXUTHJDBSP-GFCCVEGCSA-N 1 0 293.371 1.496 20 5 CDBDRO CC(=O)c1ccc(N2CC[C@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000893941923 618206577 /nfs/dbraw/zinc/20/65/77/618206577.db2.gz XOJFFACUFLJZKG-SWLSCSKDSA-N 1 0 289.335 1.938 20 5 CDBDRO CN1CC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000903316369 625970378 /nfs/dbraw/zinc/97/03/78/625970378.db2.gz OJLUTPBVJRMYJF-MFKMUULPSA-N 1 0 261.325 1.876 20 5 CDBDRO CCN(CC)c1ccc(CNCC[N+](=O)[O-])cn1 ZINC000905050867 626387177 /nfs/dbraw/zinc/38/71/77/626387177.db2.gz QWHFDVMWJQUUQK-UHFFFAOYSA-N 1 0 252.318 1.294 20 5 CDBDRO Cc1ccc(C[NH2+]CC[N+](=O)[O-])c(-n2cc(Cl)cn2)n1 ZINC000905227617 626683639 /nfs/dbraw/zinc/68/36/39/626683639.db2.gz DHHXILJQFOJJIO-UHFFFAOYSA-N 1 0 295.730 1.595 20 5 CDBDRO CCOc1ccc([C@@H]2C[C@H]2[NH2+]CC[N+](=O)[O-])cc1 ZINC000905243910 626700908 /nfs/dbraw/zinc/70/09/08/626700908.db2.gz MZFTXOUPRANDMI-QWHCGFSZSA-N 1 0 250.298 1.808 20 5 CDBDRO Cc1cccc(OCCC[NH2+]CC[N+](=O)[O-])c1C ZINC000905235573 626717318 /nfs/dbraw/zinc/71/73/18/626717318.db2.gz BOCMUNKCAHITMY-UHFFFAOYSA-N 1 0 252.314 1.939 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C/C=C/Cl)c1 ZINC000905708739 626934921 /nfs/dbraw/zinc/93/49/21/626934921.db2.gz SNTZLRMNGHKYSX-XGQHYKRYSA-N 1 0 286.715 1.677 20 5 CDBDRO COCC[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170298997 1162328836 /nfs/dbraw/zinc/32/88/36/1162328836.db2.gz PICFXRMDVORYNF-JTQLQIEISA-N 1 0 268.313 1.770 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCO2)c([N+](=O)[O-])c1 ZINC001170307480 1162340157 /nfs/dbraw/zinc/34/01/57/1162340157.db2.gz GENYZHGDPNEGAL-ZWNOBZJWSA-N 1 0 280.324 1.913 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]([NH3+])[C@@H]2C)n1 ZINC001157739636 1162367886 /nfs/dbraw/zinc/36/78/86/1162367886.db2.gz DGHCJEPZCSARGG-WDEREUQCSA-N 1 0 264.329 1.923 20 5 CDBDRO COc1cc(C)nc(-n2ccc([C@H](C)[NH3+])n2)c1[N+](=O)[O-] ZINC001158350142 1162906365 /nfs/dbraw/zinc/90/63/65/1162906365.db2.gz YJKHFICMEJAREX-QMMMGPOBSA-N 1 0 277.284 1.512 20 5 CDBDRO COC(=O)c1ncc([N+](=O)[O-])cc1-n1cccc1C[NH3+] ZINC001167600079 1159146592 /nfs/dbraw/zinc/14/65/92/1159146592.db2.gz FKXRJOHIRCTBPO-UHFFFAOYSA-N 1 0 276.252 1.026 20 5 CDBDRO CCC(=O)N1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168967505 1161996392 /nfs/dbraw/zinc/99/63/92/1161996392.db2.gz QGXUZZDJZHCDJJ-AAEUAGOBSA-N 1 0 283.372 1.422 20 5 CDBDRO C[NH2+]CCNc1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001156891860 1162037924 /nfs/dbraw/zinc/03/79/24/1162037924.db2.gz DCJAFRWNRKMAES-UHFFFAOYSA-N 1 0 281.703 1.823 20 5 CDBDRO [NH3+]Cc1cnn(-c2cnc3ccc([N+](=O)[O-])cc3n2)c1 ZINC001157471590 1162107257 /nfs/dbraw/zinc/10/72/57/1162107257.db2.gz KROSQFIJPQZNON-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001155404143 1167159688 /nfs/dbraw/zinc/15/96/88/1167159688.db2.gz XFKJJUXKPVSDMJ-WCQYABFASA-N 1 0 278.312 1.233 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC001578242051 1171848476 /nfs/dbraw/zinc/84/84/76/1171848476.db2.gz YQNZUUVDNRIMCC-OLZOCXBDSA-N 1 0 267.304 1.964 20 5 CDBDRO C[C@H]([NH3+])CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC001579480084 1172194714 /nfs/dbraw/zinc/19/47/14/1172194714.db2.gz AVKJINMMBWZKLD-ZETCQYMHSA-N 1 0 257.265 1.375 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2C[NH2+]CC2(C)C)n1 ZINC001579642418 1172233142 /nfs/dbraw/zinc/23/31/42/1172233142.db2.gz FANFSEZSBSMVAF-NSHDSACASA-N 1 0 278.312 1.026 20 5 CDBDRO Cc1ccc(NC(=O)[C@]23C[C@H]2CCC[NH2+]3)c(N)c1[N+](=O)[O-] ZINC001579723069 1172247259 /nfs/dbraw/zinc/24/72/59/1172247259.db2.gz XLVLEZZQWREQCR-OTYXRUKQSA-N 1 0 290.323 1.566 20 5 CDBDRO Cc1noc(CN2C[C@H]([NH3+])C(C)(C)C2)c1[N+](=O)[O-] ZINC001579923344 1172301601 /nfs/dbraw/zinc/30/16/01/1172301601.db2.gz STXOWSFEFKRQCY-VIFPVBQESA-N 1 0 254.290 1.060 20 5 CDBDRO [NH3+][C@@H]1C[C@@H]1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001580398077 1172422257 /nfs/dbraw/zinc/42/22/57/1172422257.db2.gz QFKXUMKMJVQHNH-DMDPSCGWSA-N 1 0 293.348 1.516 20 5 CDBDRO COc1cc(NC[C@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC000134268661 1175814509 /nfs/dbraw/zinc/81/45/09/1175814509.db2.gz FTWXOUUZPLWTSQ-SNVBAGLBSA-N 1 0 267.285 1.004 20 5 CDBDRO CC[C@@](C)(O)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134757587 1175819973 /nfs/dbraw/zinc/81/99/73/1175819973.db2.gz CYNIAERLHBRFLL-QWHCGFSZSA-N 1 0 268.313 1.379 20 5 CDBDRO O=[N+]([O-])c1cccc(-n2cc(C[NH2+]CC3CC3)nn2)c1 ZINC000161976170 1179102954 /nfs/dbraw/zinc/10/29/54/1179102954.db2.gz MHULZEZCARFRPP-UHFFFAOYSA-N 1 0 273.296 1.675 20 5 CDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CC[NH2+]C1 ZINC000164879076 1180835026 /nfs/dbraw/zinc/83/50/26/1180835026.db2.gz AYIFYTPIPPHSIM-NSHDSACASA-N 1 0 293.323 1.427 20 5 CDBDRO CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000165885260 1181043366 /nfs/dbraw/zinc/04/33/66/1181043366.db2.gz IIIGEKMWGUDTPT-LLVKDONJSA-N 1 0 281.287 1.558 20 5 CDBDRO C[N@@H+]1CCO[C@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000301752538 719372521 /nfs/dbraw/zinc/37/25/21/719372521.db2.gz VNSLRFGAIYZINC-MNOVXSKESA-N 1 0 298.730 1.162 20 5 CDBDRO CCN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000110939629 1166536703 /nfs/dbraw/zinc/53/67/03/1166536703.db2.gz RSFZOUXYRARVQG-CYBMUJFWSA-N 1 0 291.351 1.738 20 5 CDBDRO C[C@@H]([NH2+]CC1(O)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788594341 828823767 /nfs/dbraw/zinc/82/37/67/828823767.db2.gz VFAUCAZKPWMPOD-SECBINFHSA-N 1 0 265.313 1.743 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881907923 828821448 /nfs/dbraw/zinc/82/14/48/828821448.db2.gz IBTNMQXEZQZINF-VIFPVBQESA-N 1 0 268.292 1.659 20 5 CDBDRO CC(=O)c1ccc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000828987867 828824772 /nfs/dbraw/zinc/82/47/72/828824772.db2.gz MQGREIDBAPBOJG-DOMZBBRYSA-N 1 0 289.335 1.938 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886815638 828825271 /nfs/dbraw/zinc/82/52/71/828825271.db2.gz HCLINDIKMUPYKQ-CHWSQXEVSA-N 1 0 294.355 1.601 20 5 CDBDRO C[C@@H]([NH3+])CN(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000312018453 833020531 /nfs/dbraw/zinc/02/05/31/833020531.db2.gz ULPHOQMMISOJHB-VHODGJRUSA-N 1 0 263.297 1.414 20 5 CDBDRO Cc1c(C[NH2+]CCN2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000873044158 833023082 /nfs/dbraw/zinc/02/30/82/833023082.db2.gz FGUNXWFOLYGOEK-LBPRGKRZSA-N 1 0 293.367 1.714 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)OCCC[NH+]1CCCC1 ZINC000800124453 833039982 /nfs/dbraw/zinc/03/99/82/833039982.db2.gz YNDDUTICVFPGRP-UHFFFAOYSA-N 1 0 281.312 1.576 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]2C[NH2+]CC2(C)C)cccc1[N+](=O)[O-] ZINC000884318265 833048257 /nfs/dbraw/zinc/04/82/57/833048257.db2.gz RKWPYKMZNCZTER-LBPRGKRZSA-N 1 0 291.351 1.765 20 5 CDBDRO CO[C@@H]1CCOC[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000934038477 833068502 /nfs/dbraw/zinc/06/85/02/833068502.db2.gz AUHUURLLFAKHBL-MGPQQGTHSA-N 1 0 296.323 1.022 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ccnc1NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001155510017 1167203561 /nfs/dbraw/zinc/20/35/61/1167203561.db2.gz OTXPCXOKBYQHEI-UFBFGSQYSA-N 1 0 298.730 1.291 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000704354046 833278843 /nfs/dbraw/zinc/27/88/43/833278843.db2.gz OZSRQFKJBVPJNY-ZCFIWIBFSA-N 1 0 257.677 1.325 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000089090932 833304272 /nfs/dbraw/zinc/30/42/72/833304272.db2.gz MJXDVNJASNAWJL-MNOVXSKESA-N 1 0 277.324 1.760 20 5 CDBDRO CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000227859655 833308193 /nfs/dbraw/zinc/30/81/93/833308193.db2.gz IFIPDFMFRIEGSX-MGPQQGTHSA-N 1 0 280.324 1.785 20 5 CDBDRO COC[C@@H](CCO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000228342363 833313699 /nfs/dbraw/zinc/31/36/99/833313699.db2.gz HUWRDYPQNIESME-GFCCVEGCSA-N 1 0 268.313 1.390 20 5 CDBDRO CC(C)[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000923344860 833323694 /nfs/dbraw/zinc/32/36/94/833323694.db2.gz GIHVJTXIQJEXSH-HUUCEWRRSA-N 1 0 293.367 1.558 20 5 CDBDRO COC[C@@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000716801168 828897696 /nfs/dbraw/zinc/89/76/96/828897696.db2.gz MVLUBJXRPHCJJB-GFCCVEGCSA-N 1 0 272.276 1.221 20 5 CDBDRO O=[N+]([O-])CC[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000929809186 828969021 /nfs/dbraw/zinc/96/90/21/828969021.db2.gz KRWPHQLKXHWRML-QWRGUYRKSA-N 1 0 270.354 1.913 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825897311 829038432 /nfs/dbraw/zinc/03/84/32/829038432.db2.gz YYAJCSBSUFHYKY-CYBMUJFWSA-N 1 0 295.339 1.085 20 5 CDBDRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000724880989 829041959 /nfs/dbraw/zinc/04/19/59/829041959.db2.gz WSYCYDFRMFTRFM-TZMCWYRMSA-N 1 0 280.324 1.797 20 5 CDBDRO CCOC1CCN(Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000060445572 829063083 /nfs/dbraw/zinc/06/30/83/829063083.db2.gz YTECLNQCJDTNFH-UHFFFAOYSA-N 1 0 282.344 1.867 20 5 CDBDRO C[N@@H+]1CC[C@@H](C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000854494443 829080057 /nfs/dbraw/zinc/08/00/57/829080057.db2.gz CKKZQGFFXAEHHN-MRVPVSSYSA-N 1 0 264.285 1.067 20 5 CDBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839672376 833362966 /nfs/dbraw/zinc/36/29/66/833362966.db2.gz FTQFZHKQMABCGW-ZLDLUXBVSA-N 1 0 294.351 1.721 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2CC[C@](C)([NH3+])C2)c1[N+](=O)[O-] ZINC000868076687 833368890 /nfs/dbraw/zinc/36/88/90/833368890.db2.gz HEOLNXZNCQSHCP-ZDUSSCGKSA-N 1 0 281.287 1.606 20 5 CDBDRO Cc1cc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000819297277 833383881 /nfs/dbraw/zinc/38/38/81/833383881.db2.gz NQNGYCPZMOVAER-CQSZACIVSA-N 1 0 290.323 1.460 20 5 CDBDRO C[C@H](C[N+](=O)[O-])OC(=O)c1cccc(C[NH+](C)C)c1 ZINC000835467927 833389284 /nfs/dbraw/zinc/38/92/84/833389284.db2.gz VHEVVSZIFMFALE-SNVBAGLBSA-N 1 0 266.297 1.570 20 5 CDBDRO CCC[NH2+]CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817961836 829374716 /nfs/dbraw/zinc/37/47/16/829374716.db2.gz DIYFTKCLEPGHEZ-JTQLQIEISA-N 1 0 266.345 1.827 20 5 CDBDRO C[NH+](C)C(C)(C)CNc1nc2ccccn2c1[N+](=O)[O-] ZINC000029848114 829577216 /nfs/dbraw/zinc/57/72/16/829577216.db2.gz XRVPZJYKTCIVSK-UHFFFAOYSA-N 1 0 277.328 1.995 20 5 CDBDRO [NH3+]CCCCC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831218122 829613094 /nfs/dbraw/zinc/61/30/94/829613094.db2.gz UIFTZXDSBMRTLT-UHFFFAOYSA-N 1 0 285.731 1.993 20 5 CDBDRO CN(Cc1cccnc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000886833392 829640009 /nfs/dbraw/zinc/64/00/09/829640009.db2.gz XRXIRCPITHAEHN-FUNVUKJBSA-N 1 0 276.340 1.705 20 5 CDBDRO C[C@@H]([NH3+])CN(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000877101967 829899197 /nfs/dbraw/zinc/89/91/97/829899197.db2.gz VZLIJIQLZOHGEG-SNVBAGLBSA-N 1 0 265.313 1.333 20 5 CDBDRO CC(C)([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCOCC1 ZINC000786170811 830287642 /nfs/dbraw/zinc/28/76/42/830287642.db2.gz HTCNINMDMWNTSD-UHFFFAOYSA-N 1 0 282.344 1.586 20 5 CDBDRO O=[N+]([O-])c1ccnn1CN1CC[NH+](C2CCCCC2)CC1 ZINC000165253717 830293682 /nfs/dbraw/zinc/29/36/82/830293682.db2.gz YTWKVUQGSJYIHU-UHFFFAOYSA-N 1 0 293.371 1.699 20 5 CDBDRO C[C@H](Cn1cccn1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158628675 830372152 /nfs/dbraw/zinc/37/21/52/830372152.db2.gz OQFDDXJIEWAWCN-RISCZKNCSA-N 1 0 290.323 1.503 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815598110 830490912 /nfs/dbraw/zinc/49/09/12/830490912.db2.gz MXHDVOOJZXKYCW-WCBMZHEXSA-N 1 0 251.286 1.617 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CSCC[NH2+]2)n1 ZINC000882729189 830509734 /nfs/dbraw/zinc/50/97/34/830509734.db2.gz VHSVALWDMNKJGH-SECBINFHSA-N 1 0 268.342 1.415 20 5 CDBDRO Cc1c(C[NH2+]CCCOCCO)cccc1[N+](=O)[O-] ZINC000230786021 830612126 /nfs/dbraw/zinc/61/21/26/830612126.db2.gz PUEVPXHXARQUBM-UHFFFAOYSA-N 1 0 268.313 1.392 20 5 CDBDRO Cn1cncc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819315914 830664479 /nfs/dbraw/zinc/66/44/79/830664479.db2.gz COVIGOMBHAAQSO-CYBMUJFWSA-N 1 0 276.296 1.152 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2ncn(C[NH+]3CCCC3)n2)cc1 ZINC000029498534 830706743 /nfs/dbraw/zinc/70/67/43/830706743.db2.gz TVCJVABDZLPOKF-UHFFFAOYSA-N 1 0 273.296 1.907 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823987871 830788973 /nfs/dbraw/zinc/78/89/73/830788973.db2.gz SCLUCQLCEKTSNB-SECBINFHSA-N 1 0 295.343 1.639 20 5 CDBDRO COC[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000229174407 832086691 /nfs/dbraw/zinc/08/66/91/832086691.db2.gz JJMBCERONNDDMT-NSHDSACASA-N 1 0 254.286 1.000 20 5 CDBDRO CC[C@@H](CO)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830348433 832200175 /nfs/dbraw/zinc/20/01/75/832200175.db2.gz GDGPACGPJBMAQG-WCQYABFASA-N 1 0 268.313 1.331 20 5 CDBDRO COCCOCC[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000808791586 832227434 /nfs/dbraw/zinc/22/74/34/832227434.db2.gz FBTVLMJFRVKZJU-AWEZNQCLSA-N 1 0 298.339 1.223 20 5 CDBDRO C[NH2+][C@@H](C)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000848627667 832345602 /nfs/dbraw/zinc/34/56/02/832345602.db2.gz OSTXGUIFGNWWLC-YFKPBYRVSA-N 1 0 254.271 1.987 20 5 CDBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000088059353 832399040 /nfs/dbraw/zinc/39/90/40/832399040.db2.gz VLANPCLDVFIEOP-SECBINFHSA-N 1 0 264.285 1.420 20 5 CDBDRO [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000870867740 833883024 /nfs/dbraw/zinc/88/30/24/833883024.db2.gz KRKHYEUBUGVMOU-KLPPZKSPSA-N 1 0 277.324 1.729 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3c(F)cc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000858562321 833925517 /nfs/dbraw/zinc/92/55/17/833925517.db2.gz LMLHPLSKNIYLDG-GDGBQDQQSA-N 1 0 283.278 1.869 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823195476 832720653 /nfs/dbraw/zinc/72/06/53/832720653.db2.gz ZDMSICVBPVAVSP-HIFRSBDPSA-N 1 0 293.367 1.654 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000886169966 832775797 /nfs/dbraw/zinc/77/57/97/832775797.db2.gz MMDKIZSVHZDHRN-JQWIXIFHSA-N 1 0 265.313 1.631 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NCCN1CCC([NH3+])CC1 ZINC000721985238 832818104 /nfs/dbraw/zinc/81/81/04/832818104.db2.gz IQKCBOLNYIUUQR-UHFFFAOYSA-N 1 0 279.344 1.133 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923285199 832828074 /nfs/dbraw/zinc/82/80/74/832828074.db2.gz AJJDYFHMDQDKDY-SMDDNHRTSA-N 1 0 279.340 1.170 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000872320182 832834074 /nfs/dbraw/zinc/83/40/74/832834074.db2.gz LVOFSGVRYSUHHE-SCRDCRAPSA-N 1 0 278.308 1.206 20 5 CDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3CC[NH2+][C@@H]3C)n2)n1C ZINC000823093978 833871772 /nfs/dbraw/zinc/87/17/72/833871772.db2.gz LUUYBFJJKMAWIJ-SVRRBLITSA-N 1 0 292.299 1.152 20 5 CDBDRO COc1ccc(CNC(=O)N(C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000861565094 834091847 /nfs/dbraw/zinc/09/18/47/834091847.db2.gz SUBQUPGEUKRRPQ-VIFPVBQESA-N 1 0 296.327 1.092 20 5 CDBDRO CC(C)[C@H](c1nc(-c2c([N+](=O)[O-])ncn2C)no1)[C@H](C)[NH3+] ZINC000823089028 834095037 /nfs/dbraw/zinc/09/50/37/834095037.db2.gz QJJFSARAJCDMKP-YUMQZZPRSA-N 1 0 294.315 1.465 20 5 CDBDRO CC(C)(O)[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886315659 834188317 /nfs/dbraw/zinc/18/83/17/834188317.db2.gz WIUIHCZGZLQHSG-NSHDSACASA-N 1 0 265.313 1.583 20 5 CDBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cnnn1C ZINC000925153557 834205550 /nfs/dbraw/zinc/20/55/50/834205550.db2.gz MEPLTODERYZMNU-SNVBAGLBSA-N 1 0 275.312 1.617 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCn2cccc2)c1 ZINC000819118762 834340988 /nfs/dbraw/zinc/34/09/88/834340988.db2.gz JIXFQQIWOFDHLC-CQSZACIVSA-N 1 0 275.308 1.720 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC([C@@H](C)[NH3+])CC1 ZINC000110651309 834453425 /nfs/dbraw/zinc/45/34/25/834453425.db2.gz SRRKGYBCZBIVAG-SNVBAGLBSA-N 1 0 264.329 1.862 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782617870 834539787 /nfs/dbraw/zinc/53/97/87/834539787.db2.gz GHUPAVHICMPPMA-RISCZKNCSA-N 1 0 278.308 1.288 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826869871 834663461 /nfs/dbraw/zinc/66/34/61/834663461.db2.gz BEKIAODJWIZDSH-ZYHUDNBSSA-N 1 0 283.372 1.421 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)C[C@H]2CCCO2)c(F)c1 ZINC000886227097 834834038 /nfs/dbraw/zinc/83/40/38/834834038.db2.gz WKUIBXGZIYVCLE-DGCLKSJQSA-N 1 0 298.314 1.754 20 5 CDBDRO O=C(NCC1C[NH+](CCC2CCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031660489 834849498 /nfs/dbraw/zinc/84/94/98/834849498.db2.gz ISYJZVXWUCMTKK-ZIAGYGMSSA-N 1 0 295.383 1.280 20 5 CDBDRO C[C@H]([NH3+])CN(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000861567515 834888564 /nfs/dbraw/zinc/88/85/64/834888564.db2.gz JINIKOUDEJRANL-VIFPVBQESA-N 1 0 266.301 1.083 20 5 CDBDRO Cc1cnc(N[C@@H]2CCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000090692695 834923464 /nfs/dbraw/zinc/92/34/64/834923464.db2.gz GMXPJLGZVBFBAC-VHSXEESVSA-N 1 0 250.302 1.838 20 5 CDBDRO C[NH+](C)C[C@@H](O)CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000717403483 835000926 /nfs/dbraw/zinc/00/09/26/835000926.db2.gz XEJJKVIVKJLBHD-VIFPVBQESA-N 1 0 273.720 1.583 20 5 CDBDRO C[C@@H](CCO)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000844451295 835032404 /nfs/dbraw/zinc/03/24/04/835032404.db2.gz SHKFKROQZNNEAF-GXFFZTMASA-N 1 0 268.313 1.331 20 5 CDBDRO Cc1cc(C(=O)NC[C@H]2CCN2C)cc([N+](=O)[O-])c1 ZINC000928565424 835185393 /nfs/dbraw/zinc/18/53/93/835185393.db2.gz LFSQWALRMHPIKN-LLVKDONJSA-N 1 0 263.297 1.337 20 5 CDBDRO Cc1ccc(NCC[N@@H+](C)CCOCCO)c([N+](=O)[O-])c1 ZINC000882951578 835230239 /nfs/dbraw/zinc/23/02/39/835230239.db2.gz LGUDYBTWBDAZBR-UHFFFAOYSA-N 1 0 297.355 1.256 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000843503970 835412739 /nfs/dbraw/zinc/41/27/39/835412739.db2.gz NAXXDGVEGJJJAI-SFYZADRCSA-N 1 0 266.301 1.033 20 5 CDBDRO CC[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000931770673 835438195 /nfs/dbraw/zinc/43/81/95/835438195.db2.gz ATIBVXOFVLQAOB-SNVBAGLBSA-N 1 0 254.286 1.464 20 5 CDBDRO CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000884064979 835449893 /nfs/dbraw/zinc/44/98/93/835449893.db2.gz ZQYHHYQALQUTBH-GFCCVEGCSA-N 1 0 289.335 1.730 20 5 CDBDRO Cc1nc([N+](=O)[O-])c(-c2noc(CCC(C)(C)[NH3+])n2)n1C ZINC000843223195 835476877 /nfs/dbraw/zinc/47/68/77/835476877.db2.gz ZXVIMZDQHVMRSR-UHFFFAOYSA-N 1 0 294.315 1.357 20 5 CDBDRO CC(C)Oc1nc(NC[C@H](O)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000848644796 835544971 /nfs/dbraw/zinc/54/49/71/835544971.db2.gz QDYWIYHFQAWIJQ-JTQLQIEISA-N 1 0 298.343 1.111 20 5 CDBDRO C[NH2+]CCc1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000822647537 835620322 /nfs/dbraw/zinc/62/03/22/835620322.db2.gz QTLIAXCJARHLQU-UHFFFAOYSA-N 1 0 262.269 1.331 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881960196 835716540 /nfs/dbraw/zinc/71/65/40/835716540.db2.gz IFKURVBFEBJRDA-SECBINFHSA-N 1 0 268.292 1.883 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCNC(=O)C1 ZINC001173231126 912326980 /nfs/dbraw/zinc/32/69/80/912326980.db2.gz XSLVGTLRDPDTJU-YPMHNXCESA-N 1 0 291.351 1.784 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CN(C)CCO1 ZINC001173209779 912332827 /nfs/dbraw/zinc/33/28/27/912332827.db2.gz GCJIWRDMXPJKSS-DOMZBBRYSA-N 1 0 293.367 1.446 20 5 CDBDRO CC(C)NC(=O)C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214196 912334567 /nfs/dbraw/zinc/33/45/67/912334567.db2.gz MYVHDFSZYNPVME-LLVKDONJSA-N 1 0 279.340 1.640 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)C(N)=O ZINC001173213106 912336688 /nfs/dbraw/zinc/33/66/88/912336688.db2.gz FJKNMIIGIZFSKU-JTQLQIEISA-N 1 0 279.340 1.627 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC(CO)C1 ZINC001173213198 912337595 /nfs/dbraw/zinc/33/75/95/912337595.db2.gz GKSUTCZOLXIPKC-QFWMXSHPSA-N 1 0 264.325 1.886 20 5 CDBDRO C[NH2+]Cc1c(C)nn(-c2nccc(C)c2[N+](=O)[O-])c1C ZINC001167098240 894489106 /nfs/dbraw/zinc/48/91/06/894489106.db2.gz IUWPIZFMLQUMLU-UHFFFAOYSA-N 1 0 275.312 1.820 20 5 CDBDRO COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@H]1CC[NH2+]C1 ZINC001218182298 898463120 /nfs/dbraw/zinc/46/31/20/898463120.db2.gz RKECCOVGQVPJGZ-VIFPVBQESA-N 1 0 280.280 1.431 20 5 CDBDRO COc1cc(NC(=N)SCC[NH3+])cnc1[N+](=O)[O-] ZINC001167911993 902107189 /nfs/dbraw/zinc/10/71/89/902107189.db2.gz IRKBEFSUUFJOHC-UHFFFAOYSA-N 1 0 271.302 1.037 20 5 CDBDRO [NH3+]CCc1cn(-c2nccnc2[N+](=O)[O-])c2ccc(O)cc12 ZINC001167984564 904973383 /nfs/dbraw/zinc/97/33/83/904973383.db2.gz QXBGGWXDRKBMRC-UHFFFAOYSA-N 1 0 299.290 1.536 20 5 CDBDRO Cc1ccc(F)c(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001126936415 909929044 /nfs/dbraw/zinc/92/90/44/909929044.db2.gz GQCABSHNGYDUHG-DGCLKSJQSA-N 1 0 295.314 1.005 20 5 CDBDRO CC(C)(C)OC(=O)N1C[C@@H](OCC[N+](C)(C)C)CC1=O ZINC001224775527 910705184 /nfs/dbraw/zinc/70/51/84/910705184.db2.gz MHFMUNOBZBDXCA-NSHDSACASA-N 1 0 287.380 1.245 20 5 CDBDRO CCC1(Nc2cc([N+](=O)[O-])c3nccn3c2)C[NH2+]C1 ZINC001168582869 919287883 /nfs/dbraw/zinc/28/78/83/919287883.db2.gz ARQMIJXMJPPONP-UHFFFAOYSA-N 1 0 261.285 1.406 20 5 CDBDRO C[NH2+]CCN(C)c1nc(Cl)c(C)cc1[N+](=O)[O-] ZINC001163719224 924096258 /nfs/dbraw/zinc/09/62/58/924096258.db2.gz SDYMNMOTJKZBQO-UHFFFAOYSA-N 1 0 258.709 1.607 20 5 CDBDRO CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000839524708 936914504 /nfs/dbraw/zinc/91/45/04/936914504.db2.gz IXXJMXRSZTZVKL-MCIONIFRSA-N 1 0 297.399 1.524 20 5 CDBDRO CC(C)Oc1nc(N2CC(C)([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001165120151 924973529 /nfs/dbraw/zinc/97/35/29/924973529.db2.gz IUGSZDHXSOPTFG-UHFFFAOYSA-N 1 0 294.355 1.917 20 5 CDBDRO CC[C@@H](O)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843068312 937109912 /nfs/dbraw/zinc/10/99/12/937109912.db2.gz MGZNDDFMPNWXIC-CHWSQXEVSA-N 1 0 268.313 1.379 20 5 CDBDRO Cc1c(F)cnc(N(CC[NH3+])c2cccnc2)c1[N+](=O)[O-] ZINC001168829903 927475576 /nfs/dbraw/zinc/47/55/76/927475576.db2.gz DHLKYLCJKLBPAS-UHFFFAOYSA-N 1 0 291.286 1.929 20 5 CDBDRO [NH3+][C@H]1CCN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001156228167 927487694 /nfs/dbraw/zinc/48/76/94/927487694.db2.gz BPYKOJZGOFGZEQ-LURJTMIESA-N 1 0 292.673 1.726 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2F)C1 ZINC001168977027 927562674 /nfs/dbraw/zinc/56/26/74/927562674.db2.gz GZAADHHKTKMHBC-SUNKGSAMSA-N 1 0 282.315 1.894 20 5 CDBDRO CCOC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168977495 927563307 /nfs/dbraw/zinc/56/33/07/927563307.db2.gz KKCWEXYKUNJVEF-KKOKHZNYSA-N 1 0 270.329 1.363 20 5 CDBDRO CC1(C)OCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CO1 ZINC001168978432 927565638 /nfs/dbraw/zinc/56/56/38/927565638.db2.gz SBSUIRPWTHGEPM-ZJUUUORDSA-N 1 0 258.318 1.173 20 5 CDBDRO COCCn1cncc1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168978634 927566631 /nfs/dbraw/zinc/56/66/31/927566631.db2.gz TWGFJUBWHVHASU-NWDGAFQWSA-N 1 0 282.344 1.065 20 5 CDBDRO O=C1NCc2ccccc2[C@@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168981309 927567286 /nfs/dbraw/zinc/56/72/86/927567286.db2.gz HGFZXZFDSHMAHU-SUHUHFCYSA-N 1 0 289.335 1.393 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](CO)c2ccccn2)C1 ZINC001168986128 927567448 /nfs/dbraw/zinc/56/74/48/927567448.db2.gz WFZBVUDEPADSNA-NTZNESFSSA-N 1 0 265.313 1.150 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CCC3(CC2)OCCO3)C1 ZINC001168981153 927569088 /nfs/dbraw/zinc/56/90/88/927569088.db2.gz GNIJBTKWCAGQMX-DGCLKSJQSA-N 1 0 284.356 1.707 20 5 CDBDRO CCc1coc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168965252 927587183 /nfs/dbraw/zinc/58/71/83/927587183.db2.gz YOTRRLZQMRZFTC-ONGXEEELSA-N 1 0 253.302 1.772 20 5 CDBDRO CC(C)(C)OC(=O)CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168965070 927587688 /nfs/dbraw/zinc/58/76/88/927587688.db2.gz XRSGTRRVYRKNCJ-WDEREUQCSA-N 1 0 272.345 1.753 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C[C@H]2CC[C@H](O)CC2)C1 ZINC001169001491 927605795 /nfs/dbraw/zinc/60/57/95/927605795.db2.gz GMAGURMZUMEAMS-CYDGBPFRSA-N 1 0 256.346 1.573 20 5 CDBDRO O=C1CC2(CN1)CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169006408 927612458 /nfs/dbraw/zinc/61/24/58/927612458.db2.gz HVDSZXGZLNWASD-NEPJUHHUSA-N 1 0 281.356 1.034 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(N3CCOCC3)CC2)C1 ZINC001169009030 927614159 /nfs/dbraw/zinc/61/41/59/927614159.db2.gz UJXLOIZOOJXWAZ-UKRRQHHQSA-N 1 0 297.399 1.228 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](n2ncc3c2CC[NH2+]C3)C1 ZINC001169011029 927617300 /nfs/dbraw/zinc/61/73/00/927617300.db2.gz HKJWMXUXUFBFML-MWLCHTKSSA-N 1 0 250.302 1.147 20 5 CDBDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC[C@]1(C)O ZINC001169012221 927617579 /nfs/dbraw/zinc/61/75/79/927617579.db2.gz OTGZWAHFLOLANB-RQJABVFESA-N 1 0 270.373 1.915 20 5 CDBDRO C[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H]1CO ZINC001169011409 927618246 /nfs/dbraw/zinc/61/82/46/927618246.db2.gz KEHIELMOPGUKND-XQHKEYJVSA-N 1 0 256.346 1.525 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC001168987372 927625157 /nfs/dbraw/zinc/62/51/57/927625157.db2.gz LZUPVFCHFZDZFK-UHFFFAOYSA-N 1 0 289.339 1.910 20 5 CDBDRO CO[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169033022 927641570 /nfs/dbraw/zinc/64/15/70/927641570.db2.gz BCNUPRDGEYWLDI-RWMBFGLXSA-N 1 0 256.346 1.933 20 5 CDBDRO CC[N@H+](CCN1CCCC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169033218 927642668 /nfs/dbraw/zinc/64/26/68/927642668.db2.gz BKLITNBGMOBDRG-UONOGXRCSA-N 1 0 269.389 1.850 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](Oc3ccncc3)C2)C1 ZINC001169039667 927650148 /nfs/dbraw/zinc/65/01/48/927650148.db2.gz RXVDZNINVOHINO-VNHYZAJKSA-N 1 0 291.351 1.980 20 5 CDBDRO CC(C)C[NH+]1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169019092 927660251 /nfs/dbraw/zinc/66/02/51/927660251.db2.gz GUKQVNGHWRKIOA-KGLIPLIRSA-N 1 0 269.389 1.705 20 5 CDBDRO O=C1OCCC12CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169046350 927666605 /nfs/dbraw/zinc/66/66/05/927666605.db2.gz KXOVXRSMGRNBCR-NEPJUHHUSA-N 1 0 282.340 1.461 20 5 CDBDRO C[C@@H]([NH3+])c1ccn(-c2ccc3ncc([N+](=O)[O-])n3c2)n1 ZINC001169234615 927850618 /nfs/dbraw/zinc/85/06/18/927850618.db2.gz ZKMSQSLKBPYKKE-MRVPVSSYSA-N 1 0 272.268 1.448 20 5 CDBDRO [NH3+]Cc1ccn(-c2cccc3ncc([N+](=O)[O-])n32)c1 ZINC001169725806 928348548 /nfs/dbraw/zinc/34/85/48/928348548.db2.gz METSXFTZZYYFMX-UHFFFAOYSA-N 1 0 257.253 1.492 20 5 CDBDRO Cc1cnc(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001156376019 928408354 /nfs/dbraw/zinc/40/83/54/928408354.db2.gz KOPVWKWCPAZTAI-BXUZGUMPSA-N 1 0 276.340 1.686 20 5 CDBDRO [NH3+]CCc1ccn(-c2ccc3ccc([N+](=O)[O-])cc3n2)n1 ZINC001156898456 929047853 /nfs/dbraw/zinc/04/78/53/929047853.db2.gz MRGMZXOOXHILQC-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2CC[C@H]([N@@H+](C)C(C)C)C2)n1 ZINC001157010035 929101064 /nfs/dbraw/zinc/10/10/64/929101064.db2.gz OALNLQGDIKTVJT-NSHDSACASA-N 1 0 279.344 1.612 20 5 CDBDRO Cc1c(NC[C@H]2COCC[NH2+]2)cc(F)cc1[N+](=O)[O-] ZINC001170045574 929142057 /nfs/dbraw/zinc/14/20/57/929142057.db2.gz RICIZTMCCDSSRU-JTQLQIEISA-N 1 0 269.276 1.443 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC001157262984 929397875 /nfs/dbraw/zinc/39/78/75/929397875.db2.gz ZMBSUPKRURIZIV-SKDRFNHKSA-N 1 0 280.303 1.659 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1cc([N+](=O)[O-])c(C)cc1OC ZINC001170862307 930498332 /nfs/dbraw/zinc/49/83/32/930498332.db2.gz HXJFOJUOBQORHV-LBPRGKRZSA-N 1 0 269.301 1.381 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1cccc(OC)c1[N+](=O)[O-] ZINC001170865233 930516294 /nfs/dbraw/zinc/51/62/94/930516294.db2.gz KXSNHIPKHTXROK-LLVKDONJSA-N 1 0 255.274 1.073 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1cc(F)cc(F)c1[N+](=O)[O-] ZINC001170865721 930531626 /nfs/dbraw/zinc/53/16/26/930531626.db2.gz QBNDKXNDPSTNMF-SNVBAGLBSA-N 1 0 261.228 1.342 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000886837909 930969804 /nfs/dbraw/zinc/96/98/04/930969804.db2.gz OUBLBFLRIWQBII-AWEZNQCLSA-N 1 0 276.340 1.565 20 5 CDBDRO C[C@@H](CCO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001308722580 931913727 /nfs/dbraw/zinc/91/37/27/931913727.db2.gz LYIPYSXPSNZGLZ-QMMMGPOBSA-N 1 0 264.285 1.332 20 5 CDBDRO COc1nc(C)c(NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC001171333497 932732948 /nfs/dbraw/zinc/73/29/48/932732948.db2.gz FCXVPEURIIPALM-JTQLQIEISA-N 1 0 280.328 1.861 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001122244679 937915445 /nfs/dbraw/zinc/91/54/45/937915445.db2.gz DRCOGYWMRGYISF-YUTCNCBUSA-N 1 0 289.335 1.648 20 5 CDBDRO CN1CCC(CNc2cccc([N+](=O)[O-])n2)([NH+](C)C)CC1 ZINC001156176993 938329207 /nfs/dbraw/zinc/32/92/07/938329207.db2.gz XQKZYZOSBXWDRM-UHFFFAOYSA-N 1 0 293.371 1.428 20 5 CDBDRO C[N@@H+]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC001156590571 938390586 /nfs/dbraw/zinc/39/05/86/938390586.db2.gz NASQKIGPOQZKKA-GFCCVEGCSA-N 1 0 295.314 1.804 20 5 CDBDRO Cc1nc(-n2ccc3cc(C[NH3+])cnc32)ncc1[N+](=O)[O-] ZINC001156601297 938391547 /nfs/dbraw/zinc/39/15/47/938391547.db2.gz ZMTSEVSTKHFWPU-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1cccc1C[NH3+] ZINC001156731006 938411335 /nfs/dbraw/zinc/41/13/35/938411335.db2.gz PRLQATLPXWNSPV-UHFFFAOYSA-N 1 0 290.279 1.416 20 5 CDBDRO O=[N+]([O-])c1cccc(NCC[NH+]2CCSCC2)n1 ZINC001157044463 938448970 /nfs/dbraw/zinc/44/89/70/938448970.db2.gz XSVDKSYRTKIQOK-UHFFFAOYSA-N 1 0 268.342 1.451 20 5 CDBDRO [NH2+]=C(NCCCC[NH3+])Nc1cc([N+](=O)[O-])cc(Cl)n1 ZINC001157093457 938452910 /nfs/dbraw/zinc/45/29/10/938452910.db2.gz BEGBVLBDXGKBKF-UHFFFAOYSA-N 1 0 286.723 1.318 20 5 CDBDRO CC1(Nc2ncc([N+](=O)[O-])cc2N)CC[NH2+]CC1 ZINC001157403301 938487251 /nfs/dbraw/zinc/48/72/51/938487251.db2.gz NZLZWROJAABAIH-UHFFFAOYSA-N 1 0 251.290 1.126 20 5 CDBDRO COc1cc(N[C@H]2C[NH2+]CC[C@H]2F)ncc1[N+](=O)[O-] ZINC001157448254 938493178 /nfs/dbraw/zinc/49/31/78/938493178.db2.gz ZNCKRVLUCIVYOQ-SFYZADRCSA-N 1 0 270.264 1.110 20 5 CDBDRO [NH3+]C[C@@]1(F)CCN(c2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001157808385 938549183 /nfs/dbraw/zinc/54/91/83/938549183.db2.gz FNFPSVUIMYUGIF-JTQLQIEISA-N 1 0 274.683 1.520 20 5 CDBDRO C[NH2+]CCN(c1ncc([N+](=O)[O-])c(OC)n1)C(C)(C)C ZINC001157825986 938552080 /nfs/dbraw/zinc/55/20/80/938552080.db2.gz YGYMDHACHLLGCN-UHFFFAOYSA-N 1 0 283.332 1.218 20 5 CDBDRO COc1cc(N(CC[NH3+])c2cccnc2)ncc1[N+](=O)[O-] ZINC001158000039 938573871 /nfs/dbraw/zinc/57/38/71/938573871.db2.gz GBHBBFBKMAPLRR-UHFFFAOYSA-N 1 0 289.295 1.490 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(-n2cc(CC[NH3+])cn2)nc1Cl ZINC001158099814 938583154 /nfs/dbraw/zinc/58/31/54/938583154.db2.gz XHRLFFSVKMJZDT-UHFFFAOYSA-N 1 0 281.703 1.639 20 5 CDBDRO COc1cnc(-n2ncc3c2cccc3C[NH3+])c([N+](=O)[O-])c1 ZINC001158307782 938607232 /nfs/dbraw/zinc/60/72/32/938607232.db2.gz IPKPKOMZZUXEJD-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO CCOc1nc(NC[C@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC001160147947 938771412 /nfs/dbraw/zinc/77/14/12/938771412.db2.gz NCEIOXCTWUVRJI-SNVBAGLBSA-N 1 0 280.328 1.943 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1c(C[NH3+])cc2ccncc21 ZINC001160959813 938850463 /nfs/dbraw/zinc/85/04/63/938850463.db2.gz JMFXLYPGTKCODD-UHFFFAOYSA-N 1 0 299.290 1.334 20 5 CDBDRO Cc1ccnc(CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)n1 ZINC001162193722 938961096 /nfs/dbraw/zinc/96/10/96/938961096.db2.gz PBNRNUCGEIDHHF-UHFFFAOYSA-N 1 0 285.307 1.909 20 5 CDBDRO [NH3+]Cc1cn(-c2ccc3cc(F)cc([N+](=O)[O-])c3n2)cn1 ZINC001162298720 938973657 /nfs/dbraw/zinc/97/36/57/938973657.db2.gz NOEYUBDYWLSIEI-UHFFFAOYSA-N 1 0 287.254 1.927 20 5 CDBDRO O=[N+]([O-])c1cc(NCc2noc3c2C[NH2+]CC3)cnc1F ZINC001163134652 939209556 /nfs/dbraw/zinc/20/95/56/939209556.db2.gz ZPLNRVWHGVMVPF-UHFFFAOYSA-N 1 0 293.258 1.375 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)cc2cc[nH]c21 ZINC001163141177 939211793 /nfs/dbraw/zinc/21/17/93/939211793.db2.gz FFXYBLZHZCJJBD-IJLUTSLNSA-N 1 0 288.307 1.475 20 5 CDBDRO COc1cccc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)c1[N+](=O)[O-] ZINC001163146529 939212502 /nfs/dbraw/zinc/21/25/02/939212502.db2.gz QYFMBOXOSIBZEH-FBIMIBRVSA-N 1 0 279.296 1.002 20 5 CDBDRO COc1cc([N+](=O)[O-])c(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)cc1F ZINC001163342846 939251656 /nfs/dbraw/zinc/25/16/56/939251656.db2.gz ZFMIRPDJTQXFAS-DVYJOKAKSA-N 1 0 297.286 1.284 20 5 CDBDRO [NH3+]CCN(CCO)c1ccc([N+](=O)[O-])c2ccccc21 ZINC001163835956 939339702 /nfs/dbraw/zinc/33/97/02/939339702.db2.gz KPDNNLFYSHDGJX-UHFFFAOYSA-N 1 0 275.308 1.505 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1ncnc2sc([N+](=O)[O-])cc21 ZINC001163981737 939370808 /nfs/dbraw/zinc/37/08/08/939370808.db2.gz PRQUIHZVBGAMNO-UHFFFAOYSA-N 1 0 290.308 1.552 20 5 CDBDRO COc1cc(-n2nc(C[NH3+])cc2C)cc([N+](=O)[O-])c1C ZINC001163985815 939372308 /nfs/dbraw/zinc/37/23/08/939372308.db2.gz DGYKRIWBOMQWSQ-UHFFFAOYSA-N 1 0 276.296 1.865 20 5 CDBDRO Cc1nc(N2C[C@H](C[NH3+])CC[C@@H]2C)ncc1[N+](=O)[O-] ZINC001164473525 939476999 /nfs/dbraw/zinc/47/69/99/939476999.db2.gz HKDAPHNGZIVDJA-WPRPVWTQSA-N 1 0 265.317 1.257 20 5 CDBDRO C[N@@H+]1CCC[C@H](CCNc2nccnc2[N+](=O)[O-])C1 ZINC001165261693 939535768 /nfs/dbraw/zinc/53/57/68/939535768.db2.gz RZMWKFNXBJIMTE-SNVBAGLBSA-N 1 0 265.317 1.529 20 5 CDBDRO CCOc1nc(N2CCC[C@H]3[NH2+]C[C@@H]32)ccc1[N+](=O)[O-] ZINC001165395206 939558406 /nfs/dbraw/zinc/55/84/06/939558406.db2.gz UHCZPXKFARKQEY-KOLCDFICSA-N 1 0 278.312 1.329 20 5 CDBDRO CN(C)c1ccc(-n2ccnc2CC[NH3+])c([N+](=O)[O-])c1 ZINC001166369675 939606417 /nfs/dbraw/zinc/60/64/17/939606417.db2.gz HHHNKUQTMHINPG-UHFFFAOYSA-N 1 0 275.312 1.348 20 5 CDBDRO Cn1c[nH+]cc1-n1c2ccccc2nc2cc(N)c(=O)cc1-2 ZINC001211252631 940741056 /nfs/dbraw/zinc/74/10/56/940741056.db2.gz RMCMSSQGFVUOBA-UHFFFAOYSA-N 1 0 291.314 1.806 20 5 CDBDRO CC[C@H](C)C[C@@H]([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000400866149 940859334 /nfs/dbraw/zinc/85/93/34/940859334.db2.gz FKFYLRQIULFRAO-CMPLNLGQSA-N 1 0 279.340 1.975 20 5 CDBDRO C[C@]1([NH3+])CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000405739527 940995635 /nfs/dbraw/zinc/99/56/35/940995635.db2.gz BPIBWCFOOXHBFR-GBXSZLQWSA-N 1 0 275.308 1.558 20 5 CDBDRO CCOC(=O)c1ccc(O[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001218285368 941052284 /nfs/dbraw/zinc/05/22/84/941052284.db2.gz LHNBDCHSPFUZDD-NSHDSACASA-N 1 0 294.307 1.902 20 5 CDBDRO C[C@@H](C[NH+](C)C)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001224095579 941719533 /nfs/dbraw/zinc/71/95/33/941719533.db2.gz CAUPISWVGHLNJK-VIFPVBQESA-N 1 0 283.284 1.970 20 5 CDBDRO COC(=O)c1cccc(OCCO[C@@H](C)C[N+](C)(C)C)c1 ZINC001224424513 941753517 /nfs/dbraw/zinc/75/35/17/941753517.db2.gz FDPARCLPGLVWOT-ZDUSSCGKSA-N 1 0 296.387 1.963 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OCCC[NH+]1CCCC1 ZINC001224743472 941788731 /nfs/dbraw/zinc/78/87/31/941788731.db2.gz AEGPZDQMSGWAGJ-GFCCVEGCSA-N 1 0 296.371 1.991 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(C(F)F)c1 ZINC001225541311 941876759 /nfs/dbraw/zinc/87/67/59/941876759.db2.gz VQLBNUKJKMDTFX-LLVKDONJSA-N 1 0 288.314 1.987 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](Oc2ncccc2[N+](=O)[O-])C1 ZINC001225593454 941886088 /nfs/dbraw/zinc/88/60/88/941886088.db2.gz QVUIMXIGWWPGEN-JTQLQIEISA-N 1 0 251.286 1.851 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225666448 941897021 /nfs/dbraw/zinc/89/70/21/941897021.db2.gz IYRMJRSUXNJHNO-SECBINFHSA-N 1 0 267.285 1.557 20 5 CDBDRO C[C@H](C[NH+](C)C)Oc1ccc([N+](=O)[O-])cc1C(N)=O ZINC001226166907 941960363 /nfs/dbraw/zinc/96/03/63/941960363.db2.gz ABVFUFVLJTVHCQ-MRVPVSSYSA-N 1 0 267.285 1.023 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2ccncc21 ZINC001226609923 942035488 /nfs/dbraw/zinc/03/54/88/942035488.db2.gz AZVFNQDQURPFOS-CYBMUJFWSA-N 1 0 289.355 1.597 20 5 CDBDRO C[C@@H](C[NH+](C)C)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001227465367 942179270 /nfs/dbraw/zinc/17/92/70/942179270.db2.gz CRCOJAYSARCSJB-QMMMGPOBSA-N 1 0 269.257 1.832 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1n[nH]c(-c2ccncc2)n1 ZINC001228700587 942361931 /nfs/dbraw/zinc/36/19/31/942361931.db2.gz UAWZXIPTFMHYMS-SNVBAGLBSA-N 1 0 262.337 1.340 20 5 CDBDRO C[C@@H](C[NH+](C)C)Oc1n[nH]c(=O)c2ccc([N+](=O)[O-])cc21 ZINC001229365878 942458899 /nfs/dbraw/zinc/45/88/99/942458899.db2.gz XDUMFTOISCKRKV-QMMMGPOBSA-N 1 0 292.295 1.573 20 5 CDBDRO C[N@@H+]1CCC[C@H](Oc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC001230311839 942605187 /nfs/dbraw/zinc/60/51/87/942605187.db2.gz AUUFCHPQERBQFU-VIFPVBQESA-N 1 0 281.268 1.976 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001231053261 942769508 /nfs/dbraw/zinc/76/95/08/942769508.db2.gz NBWPHZJQBXSTNF-SECBINFHSA-N 1 0 274.280 1.621 20 5 CDBDRO Cc1ccnc([N+](=O)[O-])c1O[C@@H]1CCC[N@@H+](C)C1 ZINC001233548941 943615275 /nfs/dbraw/zinc/61/52/75/943615275.db2.gz ANFVVFQMRCUYNQ-SNVBAGLBSA-N 1 0 251.286 1.771 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cc(=O)cc2occc(O)c1-2 ZINC001233835502 943668314 /nfs/dbraw/zinc/66/83/14/943668314.db2.gz ZLXQDRUFAYBWNY-SNVBAGLBSA-O 1 0 278.328 1.924 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2c1C(=O)NCC2 ZINC001234655792 943930759 /nfs/dbraw/zinc/93/07/59/943930759.db2.gz OCWVWELOHAULNG-LLVKDONJSA-O 1 0 263.361 1.446 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH2+]C1CC1 ZINC001261461106 946126912 /nfs/dbraw/zinc/12/69/12/946126912.db2.gz YXDOWXOXQNZJJJ-UHFFFAOYSA-N 1 0 278.312 1.118 20 5 CDBDRO CC[NH2+][C@@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001262007511 946368070 /nfs/dbraw/zinc/36/80/70/946368070.db2.gz IOZHWZDNCWZNAF-JTQLQIEISA-N 1 0 277.324 1.478 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCO[C@H](C[NH3+])C1 ZINC001254536902 947516101 /nfs/dbraw/zinc/51/61/01/947516101.db2.gz VFKMKNQPQLXZNK-WCQYABFASA-N 1 0 279.340 1.185 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCn1cncn1 ZINC001254543600 947518152 /nfs/dbraw/zinc/51/81/52/947518152.db2.gz FMCJEMIFIXSWGX-GFCCVEGCSA-N 1 0 289.339 1.797 20 5 CDBDRO CN1CC[C@@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254569391 947530344 /nfs/dbraw/zinc/53/03/44/947530344.db2.gz XITBYZJQZUXGBL-OLZOCXBDSA-N 1 0 261.325 1.356 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCCO1)C2 ZINC001254570669 947531016 /nfs/dbraw/zinc/53/10/16/947531016.db2.gz PMXCBISOGLGMCO-GXTWGEPZSA-N 1 0 262.309 1.831 20 5 CDBDRO COC(C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)OC ZINC001254574860 947532761 /nfs/dbraw/zinc/53/27/61/947532761.db2.gz LPEBKJGIACEULV-NSHDSACASA-N 1 0 266.297 1.271 20 5 CDBDRO CN1C(=O)CC[C@@H]1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254574541 947532826 /nfs/dbraw/zinc/53/28/26/947532826.db2.gz IDCCHQPIRXUOPS-GXTWGEPZSA-N 1 0 289.335 1.272 20 5 CDBDRO CO[C@H]1C[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254574429 947533342 /nfs/dbraw/zinc/53/33/42/947533342.db2.gz HCGCEEXCACLNGX-OBJOEFQTSA-N 1 0 262.309 1.829 20 5 CDBDRO O=C1OCCN1CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254575046 947535857 /nfs/dbraw/zinc/53/58/57/947535857.db2.gz MZZUWSFGFAKYFA-LBPRGKRZSA-N 1 0 291.307 1.104 20 5 CDBDRO CC(C)(CCO)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581069 947537135 /nfs/dbraw/zinc/53/71/35/947537135.db2.gz IRGGCLDNCBNRFR-GFCCVEGCSA-N 1 0 264.325 1.813 20 5 CDBDRO Cc1cc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)nn1C ZINC001254580446 947537552 /nfs/dbraw/zinc/53/75/52/947537552.db2.gz CQRUSDCMTBSNAT-ZDUSSCGKSA-N 1 0 286.335 1.894 20 5 CDBDRO O=C1C[C@@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCCN1 ZINC001254589602 947544023 /nfs/dbraw/zinc/54/40/23/947544023.db2.gz PTDPCOVYMBVKSZ-STQMWFEESA-N 1 0 289.335 1.320 20 5 CDBDRO COC(=O)[C@H](C)N(C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603608 947552863 /nfs/dbraw/zinc/55/28/63/947552863.db2.gz OQTSXDWGTDKBNE-ZANVPECISA-N 1 0 278.308 1.555 20 5 CDBDRO CN1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605078 947553207 /nfs/dbraw/zinc/55/32/07/947553207.db2.gz ZXLZNODGQSLIOR-XHSDSOJGSA-N 1 0 287.363 1.840 20 5 CDBDRO C[C@H]1C(=O)N(C)CCN1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603286 947553930 /nfs/dbraw/zinc/55/39/30/947553930.db2.gz LOXZXYJUPOJIJN-IINYFYTJSA-N 1 0 289.335 1.225 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@]13CCOC3)C2 ZINC001254610526 947555059 /nfs/dbraw/zinc/55/50/59/947555059.db2.gz KLMCZAXJRWGMGT-LSDHHAIUSA-N 1 0 274.320 1.927 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N[C@H]1CC13C[NH2+]C3)C2 ZINC001246448635 948179497 /nfs/dbraw/zinc/17/94/97/948179497.db2.gz ZOFQGTDKFJNFHZ-AAEUAGOBSA-N 1 0 259.309 1.014 20 5 CDBDRO [NH3+][C@@]12C[C@@H]1CCN([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001246657538 948392926 /nfs/dbraw/zinc/39/29/26/948392926.db2.gz OJPCEQUUELGAHO-AEGPPILISA-N 1 0 273.336 1.485 20 5 CDBDRO C[N@H+](CCO)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246916329 948516640 /nfs/dbraw/zinc/51/66/40/948516640.db2.gz ZXRGFXZGUIDAPG-CYBMUJFWSA-N 1 0 264.325 1.766 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C=CC[NH2+]2)n1 ZINC001248230434 948983663 /nfs/dbraw/zinc/98/36/63/948983663.db2.gz ZCGOORJFNSTPCX-ZETCQYMHSA-N 1 0 277.215 1.379 20 5 CDBDRO O=C(NC1CC[NH2+]CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001325680095 954022443 /nfs/dbraw/zinc/02/24/43/954022443.db2.gz JQNIJNPKWZOULK-UHFFFAOYSA-N 1 0 290.323 1.372 20 5 CDBDRO C[C@H]1C[C@H](C)C[NH+](CCn2nc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001328047582 955173860 /nfs/dbraw/zinc/17/38/60/955173860.db2.gz XRAJEQFCLPLTAB-UWVGGRQHSA-N 1 0 297.315 1.677 20 5 CDBDRO CC[N@H+](C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC001306059182 956301363 /nfs/dbraw/zinc/30/13/63/956301363.db2.gz ZQLCWUXKUCPCRZ-NSHDSACASA-N 1 0 292.339 1.464 20 5 CDBDRO CN(CC(C)(C)C[NH+](C)C)c1nn(C)cc1[N+](=O)[O-] ZINC001307228717 956381791 /nfs/dbraw/zinc/38/17/91/956381791.db2.gz TWQIOSMXMOADRQ-UHFFFAOYSA-N 1 0 269.349 1.352 20 5 CDBDRO CC[C@@H](CO)[N@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC001332869857 957906267 /nfs/dbraw/zinc/90/62/67/957906267.db2.gz XOHICUZNGLKCJS-ZDUSSCGKSA-N 1 0 252.314 1.536 20 5 CDBDRO CO[C@@]1(C)C[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001336849781 960661240 /nfs/dbraw/zinc/66/12/40/960661240.db2.gz XHVSBSQBXWEBEK-YUTCNCBUSA-N 1 0 296.323 1.102 20 5 CDBDRO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC001339141587 962194951 /nfs/dbraw/zinc/19/49/51/962194951.db2.gz MGIHEBJCBUGLCQ-CYBMUJFWSA-N 1 0 293.298 1.558 20 5 CDBDRO C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC001340282128 962861612 /nfs/dbraw/zinc/86/16/12/962861612.db2.gz OEKQEMDBERPGGO-ZLKJLUDKSA-N 1 0 289.335 1.519 20 5 CDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001342665065 963791662 /nfs/dbraw/zinc/79/16/62/963791662.db2.gz YWPUFPVBQGULOG-GXSJLCMTSA-N 1 0 293.298 1.415 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])cc1[N+](=O)[O-] ZINC001343015774 963885319 /nfs/dbraw/zinc/88/53/19/963885319.db2.gz WBHXTAJQBDYVQD-IUODEOHRSA-N 1 0 289.335 1.857 20 5 CDBDRO Cc1cc(NC(=O)CC[NH2+]C2CC2)cc([N+](=O)[O-])c1 ZINC001343681342 964093836 /nfs/dbraw/zinc/09/38/36/964093836.db2.gz LPUPXMKRNFEHSB-UHFFFAOYSA-N 1 0 263.297 1.984 20 5 CDBDRO C[C@@H]1CCC[C@]1(O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001346237308 965004436 /nfs/dbraw/zinc/00/44/36/965004436.db2.gz OZKGJKKZZIJUGZ-UGFHNGPFSA-N 1 0 294.351 1.769 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC1CC[NH+](CC2CC2)CC1 ZINC001351950758 967035031 /nfs/dbraw/zinc/03/50/31/967035031.db2.gz SKORGKLVMLBSAV-UHFFFAOYSA-N 1 0 279.344 1.615 20 5 CDBDRO C[C@@H]1CCN(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001353311078 967885311 /nfs/dbraw/zinc/88/53/11/967885311.db2.gz NOXWJVYAYSAMDB-IUODEOHRSA-N 1 0 293.367 1.560 20 5 CDBDRO [NH3+]C1(CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CCC1 ZINC001353602975 968097613 /nfs/dbraw/zinc/09/76/13/968097613.db2.gz XOTTXAHHTCHELO-CHWSQXEVSA-N 1 0 289.335 1.696 20 5 CDBDRO Cc1cc(NC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc([N+](=O)[O-])c1 ZINC001356538535 969420436 /nfs/dbraw/zinc/42/04/36/969420436.db2.gz UPHCORXNCNEVOL-ZWKOPEQDSA-N 1 0 275.308 1.982 20 5 CDBDRO CCOc1cc(NC(=O)[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC001573801481 1170783043 /nfs/dbraw/zinc/78/30/43/1170783043.db2.gz XVPXUJYTOHUORK-SNVBAGLBSA-N 1 0 279.296 1.684 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001576158326 1171344852 /nfs/dbraw/zinc/34/48/52/1171344852.db2.gz DLOXBJXSNYSQTH-LURJTMIESA-N 1 0 256.237 1.203 20 5 CDBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2COC[C@@H]2O)cc1[N+](=O)[O-] ZINC000601291885 342549754 /nfs/dbraw/zinc/54/97/54/342549754.db2.gz PCGALVZMTNWBGE-XWIASGKRSA-N 1 0 296.323 1.404 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1CN[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601328103 342554296 /nfs/dbraw/zinc/55/42/96/342554296.db2.gz GWACGLUJHFBDTG-YGRLFVJLSA-N 1 0 279.315 1.966 20 5 CDBDRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000289814395 361800681 /nfs/dbraw/zinc/80/06/81/361800681.db2.gz ZZZSETIPSIRDSY-ZIAGYGMSSA-N 1 0 291.351 1.845 20 5 CDBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc(N)c([N+](=O)[O-])n3)[C@@H]2C1 ZINC000590582721 342576827 /nfs/dbraw/zinc/57/68/27/342576827.db2.gz TYZWMFVMRCRQLG-GXSJLCMTSA-N 1 0 277.328 1.102 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000125092005 187169317 /nfs/dbraw/zinc/16/93/17/187169317.db2.gz IEEZUHCOAGRVQA-LLVKDONJSA-N 1 0 250.302 1.737 20 5 CDBDRO C[N@@H+]1CC[C@H](C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000609201025 342096123 /nfs/dbraw/zinc/09/61/23/342096123.db2.gz KGYGTLDPMQLBAA-NSHDSACASA-N 1 0 263.297 1.163 20 5 CDBDRO CNc1ccc(C(=O)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000047852664 342104345 /nfs/dbraw/zinc/10/43/45/342104345.db2.gz ZIQZFAHTACNSSR-VIFPVBQESA-N 1 0 280.328 1.316 20 5 CDBDRO [NH3+]C1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1 ZINC000591278209 342624190 /nfs/dbraw/zinc/62/41/90/342624190.db2.gz OTPADYRNAIRTTQ-UHFFFAOYSA-N 1 0 293.323 1.337 20 5 CDBDRO CC1(C)C[NH2+]CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000591677812 342641574 /nfs/dbraw/zinc/64/15/74/342641574.db2.gz FGCIDEOEVQQAKR-UHFFFAOYSA-N 1 0 293.323 1.184 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C)([NH3+])CC2)c1 ZINC000592331144 342685238 /nfs/dbraw/zinc/68/52/38/342685238.db2.gz KCTHSQIOQRWUHU-UHFFFAOYSA-N 1 0 277.324 1.857 20 5 CDBDRO CC1([NH3+])CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000592329235 342685269 /nfs/dbraw/zinc/68/52/69/342685269.db2.gz RTLVGCWOIWAUHH-UHFFFAOYSA-N 1 0 291.351 1.867 20 5 CDBDRO CCC[C@H]([NH3+])C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000236931139 361830833 /nfs/dbraw/zinc/83/08/33/361830833.db2.gz BFZAETBZURLRSR-NSHDSACASA-N 1 0 295.295 1.447 20 5 CDBDRO O=[N+]([O-])c1cccc(OCc2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000592356903 342688161 /nfs/dbraw/zinc/68/81/61/342688161.db2.gz KFJAXOHHRQAMEY-NSHDSACASA-N 1 0 290.279 1.981 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592357686 342688460 /nfs/dbraw/zinc/68/84/60/342688460.db2.gz JZGRVBZURJEGAI-VIFPVBQESA-N 1 0 290.279 1.981 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000294970489 199276412 /nfs/dbraw/zinc/27/64/12/199276412.db2.gz FRZUNTLGKGTBNU-PWSUYJOCSA-N 1 0 250.298 1.845 20 5 CDBDRO CO[C@H](C[NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000289886413 361881440 /nfs/dbraw/zinc/88/14/40/361881440.db2.gz ICEIFCKHOJKJKF-CYBMUJFWSA-N 1 0 295.339 1.007 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000340609659 361883347 /nfs/dbraw/zinc/88/33/47/361883347.db2.gz QKHPVCZXMSGPSH-NXEZZACHSA-N 1 0 278.312 1.280 20 5 CDBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000593188198 342776251 /nfs/dbraw/zinc/77/62/51/342776251.db2.gz YNWFADNVVCWSAV-HBNTYKKESA-N 1 0 294.355 1.486 20 5 CDBDRO C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1CC[NH3+] ZINC000593733972 342830667 /nfs/dbraw/zinc/83/06/67/342830667.db2.gz PPURBMXHFYJSHS-DGCLKSJQSA-N 1 0 281.360 1.241 20 5 CDBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1CC1 ZINC000534139693 282166494 /nfs/dbraw/zinc/16/64/94/282166494.db2.gz BYMMAXFXZPHTLT-UHFFFAOYSA-N 1 0 279.340 1.877 20 5 CDBDRO C[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000042506797 342262477 /nfs/dbraw/zinc/26/24/77/342262477.db2.gz LNQDUIACHQPXHN-LBPRGKRZSA-N 1 0 291.351 1.738 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000354006696 282167446 /nfs/dbraw/zinc/16/74/46/282167446.db2.gz NBPCHXUKOXELNQ-SNVBAGLBSA-N 1 0 292.339 1.464 20 5 CDBDRO C[C@H]([NH3+])Cn1cc(COc2ccccc2[N+](=O)[O-])nn1 ZINC000594652060 342933390 /nfs/dbraw/zinc/93/33/90/342933390.db2.gz KPWKQTWFUYHCAL-VIFPVBQESA-N 1 0 277.284 1.113 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000127820950 342286032 /nfs/dbraw/zinc/28/60/32/342286032.db2.gz ZIQALHXXWVLFKE-GXFFZTMASA-N 1 0 293.323 1.091 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107571822 349706298 /nfs/dbraw/zinc/70/62/98/349706298.db2.gz XLQQLGBHUHTLRV-IUCAKERBSA-N 1 0 267.716 1.904 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CC(=O)N(C)C1 ZINC000595029914 342997078 /nfs/dbraw/zinc/99/70/78/342997078.db2.gz AUAJDKLLYNHFGL-ZJUUUORDSA-N 1 0 293.323 1.485 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@]1(O)CCOC1 ZINC000595036583 342997864 /nfs/dbraw/zinc/99/78/64/342997864.db2.gz SFQITFSYCDYJSS-QMTHXVAHSA-N 1 0 296.323 1.405 20 5 CDBDRO C[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000401961556 349729038 /nfs/dbraw/zinc/72/90/38/349729038.db2.gz XBKGCPVBVQGFOD-JQWIXIFHSA-N 1 0 250.298 1.904 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000091549779 349777321 /nfs/dbraw/zinc/77/73/21/349777321.db2.gz DRLBDQIBKJLUFB-DTORHVGOSA-N 1 0 267.333 1.306 20 5 CDBDRO C[C@@H](C[S@@](C)=O)N(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595428345 343057472 /nfs/dbraw/zinc/05/74/72/343057472.db2.gz XWGDYBYCVIREPO-ZRNGKTOUSA-N 1 0 288.344 1.933 20 5 CDBDRO Cc1noc(C[NH2+][C@H](C)[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000595435641 343060409 /nfs/dbraw/zinc/06/04/09/343060409.db2.gz HOVCZIQQGLBTIB-APPZFPTMSA-N 1 0 255.274 1.406 20 5 CDBDRO Cc1noc(C[NH2+][C@@H]2CCC[C@@H]2CCO)c1[N+](=O)[O-] ZINC000595455287 343067505 /nfs/dbraw/zinc/06/75/05/343067505.db2.gz RZDVOGIVKUFMSN-NXEZZACHSA-N 1 0 269.301 1.532 20 5 CDBDRO C[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)C[NH+]1CCCCC1 ZINC000076268617 342320327 /nfs/dbraw/zinc/32/03/27/342320327.db2.gz HLELLVBSYGEUSN-JTQLQIEISA-N 1 0 294.359 1.501 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000595524668 343089014 /nfs/dbraw/zinc/08/90/14/343089014.db2.gz MTGBAPGEXHWBFE-RISCZKNCSA-N 1 0 279.315 1.870 20 5 CDBDRO Cc1noc(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000595497474 343077843 /nfs/dbraw/zinc/07/78/43/343077843.db2.gz OITRUTALMNJLSK-RYUDHWBXSA-N 1 0 294.355 1.950 20 5 CDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000382478353 362085766 /nfs/dbraw/zinc/08/57/66/362085766.db2.gz DOLABKJOMDEOQG-JGVFFNPUSA-N 1 0 269.326 1.514 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(O)(CO)CC1 ZINC000595734341 343135263 /nfs/dbraw/zinc/13/52/63/343135263.db2.gz XHRIUXBLROJBTJ-GFCCVEGCSA-N 1 0 294.351 1.783 20 5 CDBDRO C[C@H](NC(=O)[C@H]1CCO[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000595926399 343183602 /nfs/dbraw/zinc/18/36/02/343183602.db2.gz DKLZFAHMOQLUET-XDTLVQLUSA-N 1 0 293.323 1.136 20 5 CDBDRO O=C(N[C@@H]1CC[NH2+]C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000126541827 187246942 /nfs/dbraw/zinc/24/69/42/187246942.db2.gz AWVGHDDRHODOTK-LLVKDONJSA-N 1 0 290.323 1.261 20 5 CDBDRO Nc1ccc(N2CCC([C@@H]3CCC[NH2+]3)CC2)nc1[N+](=O)[O-] ZINC000596015900 343219204 /nfs/dbraw/zinc/21/92/04/343219204.db2.gz JFALOCJRCMEZLU-LBPRGKRZSA-N 1 0 291.355 1.540 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000595920527 343192114 /nfs/dbraw/zinc/19/21/14/343192114.db2.gz TUKFYPUPINDEDX-SNVBAGLBSA-N 1 0 251.286 1.209 20 5 CDBDRO O=c1[nH]ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000596079352 343227286 /nfs/dbraw/zinc/22/72/86/343227286.db2.gz OYTVJCIYESPRAJ-VIFPVBQESA-N 1 0 278.312 1.592 20 5 CDBDRO CC[NH+](CC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000073101696 362144045 /nfs/dbraw/zinc/14/40/45/362144045.db2.gz PXTFGFXTPWSZND-UHFFFAOYSA-N 1 0 277.324 1.826 20 5 CDBDRO C[N@@H+]1CC[C@]2(CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])C2)C1 ZINC000596242665 343285020 /nfs/dbraw/zinc/28/50/20/343285020.db2.gz UGKJEBITZIPVNX-ZDUSSCGKSA-N 1 0 278.312 1.227 20 5 CDBDRO CCOC(=O)c1ccnc(NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000090998378 342398189 /nfs/dbraw/zinc/39/81/89/342398189.db2.gz UBOHSSDWGKTUBS-UHFFFAOYSA-N 1 0 282.300 1.140 20 5 CDBDRO CCc1nn(C)c(NC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000094133423 342429861 /nfs/dbraw/zinc/42/98/61/342429861.db2.gz MKENVPLPSZPPFO-UHFFFAOYSA-N 1 0 293.371 1.929 20 5 CDBDRO C[C@]1(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000597433350 343535833 /nfs/dbraw/zinc/53/58/33/343535833.db2.gz IDIZNIHYENJTPI-AWEZNQCLSA-N 1 0 292.339 1.189 20 5 CDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(C)(CO)CO ZINC000305143128 529933319 /nfs/dbraw/zinc/93/33/19/529933319.db2.gz XCHCWBXYRXNXAJ-UHFFFAOYSA-N 1 0 282.340 1.060 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598913209 343919179 /nfs/dbraw/zinc/91/91/79/343919179.db2.gz FGMXDUWHACGAEU-JTQLQIEISA-N 1 0 296.302 1.950 20 5 CDBDRO C[C@]1(C[NH3+])CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598916304 343920171 /nfs/dbraw/zinc/92/01/71/343920171.db2.gz XJOXGPSMGZSVSV-CYBMUJFWSA-N 1 0 296.302 1.937 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2CO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000402056331 344158418 /nfs/dbraw/zinc/15/84/18/344158418.db2.gz RLLKDIODHXRWPV-ONGXEEELSA-N 1 0 266.297 1.870 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000601517764 344187971 /nfs/dbraw/zinc/18/79/71/344187971.db2.gz VWNZVAJJTMQOFQ-UHFFFAOYSA-N 1 0 295.314 1.948 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000602083547 344328797 /nfs/dbraw/zinc/32/87/97/344328797.db2.gz DIQLGXPUTWZIEK-ZDUSSCGKSA-N 1 0 277.324 1.695 20 5 CDBDRO O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)c1csc([N+](=O)[O-])c1 ZINC000601974140 344301245 /nfs/dbraw/zinc/30/12/45/344301245.db2.gz MQRKCMZJGGFCAQ-SKDRFNHKSA-N 1 0 281.337 1.528 20 5 CDBDRO CC[NH2+][C@@H](C)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000602444572 344431709 /nfs/dbraw/zinc/43/17/09/344431709.db2.gz HVPOTPRUGHUTPE-VIFPVBQESA-N 1 0 281.312 1.218 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000602599453 344503973 /nfs/dbraw/zinc/50/39/73/344503973.db2.gz PACYZMGMJGFJHT-MGCOHNPYSA-N 1 0 295.314 1.981 20 5 CDBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1c(F)cccc1[N+](=O)[O-] ZINC000602495919 344441398 /nfs/dbraw/zinc/44/13/98/344441398.db2.gz ICUPYEVQUFAIOD-JTQLQIEISA-N 1 0 295.314 1.996 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000602486801 344449623 /nfs/dbraw/zinc/44/96/23/344449623.db2.gz IWPZMWHGZTXNEB-SECBINFHSA-N 1 0 281.287 1.606 20 5 CDBDRO O=C1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CCCN1 ZINC000602579890 344475334 /nfs/dbraw/zinc/47/53/34/344475334.db2.gz JKTSIJFIPRSXHU-GFCCVEGCSA-N 1 0 277.324 1.396 20 5 CDBDRO Cc1ccc(CC[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000602568019 344483838 /nfs/dbraw/zinc/48/38/38/344483838.db2.gz HWYPOAMDJODZTA-UHFFFAOYSA-N 1 0 274.324 1.932 20 5 CDBDRO [NH3+][C@H]1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000602604910 344490283 /nfs/dbraw/zinc/49/02/83/344490283.db2.gz QTBROZFRICJTOT-JOCQHMNTSA-N 1 0 291.351 1.914 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000602595372 344502262 /nfs/dbraw/zinc/50/22/62/344502262.db2.gz IBHUKRAZOHSKMT-PWSUYJOCSA-N 1 0 277.324 1.476 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000602772010 344576401 /nfs/dbraw/zinc/57/64/01/344576401.db2.gz FNFHRNGGVSHPND-ZDUSSCGKSA-N 1 0 293.371 1.270 20 5 CDBDRO C[C@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343516027 362491226 /nfs/dbraw/zinc/49/12/26/362491226.db2.gz KJBNLJLZELWSMG-FZMZJTMJSA-N 1 0 291.351 1.736 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([C@H](C)CO)CC1 ZINC000602862669 344618028 /nfs/dbraw/zinc/61/80/28/344618028.db2.gz DVXOAIQJNYIMQM-LLVKDONJSA-N 1 0 296.371 1.440 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000602811946 344603525 /nfs/dbraw/zinc/60/35/25/344603525.db2.gz QBAADPBRKTUTTR-CMPLNLGQSA-N 1 0 282.344 1.504 20 5 CDBDRO CC[NH2+]Cc1cn(CCOc2cccc([N+](=O)[O-])c2)nn1 ZINC000603201022 344733514 /nfs/dbraw/zinc/73/35/14/344733514.db2.gz LZBHQMXKTHQJCA-UHFFFAOYSA-N 1 0 291.311 1.375 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)n1cc(CC[NH3+])nn1 ZINC000603252605 344752562 /nfs/dbraw/zinc/75/25/62/344752562.db2.gz VZDHFFAYRKEFGE-JTQLQIEISA-N 1 0 275.312 1.605 20 5 CDBDRO C[NH+]1CCN(CCCNc2cccnc2[N+](=O)[O-])CC1 ZINC000603842838 344837921 /nfs/dbraw/zinc/83/79/21/344837921.db2.gz PPRDYVOPHQMTLD-UHFFFAOYSA-N 1 0 279.344 1.039 20 5 CDBDRO CC(C)C[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000603837912 344839305 /nfs/dbraw/zinc/83/93/05/344839305.db2.gz IQRXAQJPFCPILD-UHFFFAOYSA-N 1 0 264.329 1.768 20 5 CDBDRO C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159726178 362511753 /nfs/dbraw/zinc/51/17/53/362511753.db2.gz GMQWNAVPPVRSMH-NSHDSACASA-N 1 0 265.313 1.488 20 5 CDBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000052336804 362511508 /nfs/dbraw/zinc/51/15/08/362511508.db2.gz BPRMXFZPYNHTLS-RISCZKNCSA-N 1 0 296.371 1.711 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000129215532 345276920 /nfs/dbraw/zinc/27/69/20/345276920.db2.gz LQECAKDTEFZQCZ-PWSUYJOCSA-N 1 0 277.324 1.476 20 5 CDBDRO CC[C@@H](O)CC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000127404336 187302980 /nfs/dbraw/zinc/30/29/80/187302980.db2.gz GUQDCVXQUFZAFR-LLVKDONJSA-N 1 0 268.313 1.854 20 5 CDBDRO Cc1cc(N2CC[N@@H+](C)[C@H](C)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000611299133 346741016 /nfs/dbraw/zinc/74/10/16/346741016.db2.gz QKRAUQUANDKRKR-MNOVXSKESA-N 1 0 264.329 1.827 20 5 CDBDRO COc1cc(C(=O)NC[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000293635114 362796755 /nfs/dbraw/zinc/79/67/55/362796755.db2.gz CYGAEFLQVUJODP-JTQLQIEISA-N 1 0 295.339 1.531 20 5 CDBDRO C[NH2+]Cc1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000090295601 347651042 /nfs/dbraw/zinc/65/10/42/347651042.db2.gz OSQKCRMKBGZDTP-UHFFFAOYSA-N 1 0 261.285 1.148 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(N3C[C@@H]4C[NH2+]C[C@H]4C3)c2c1 ZINC000090322991 347653459 /nfs/dbraw/zinc/65/34/59/347653459.db2.gz FSMHDJFOECCNCG-UWVGGRQHSA-N 1 0 285.307 1.194 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+](CC2CC2)CC1 ZINC000055669575 347849454 /nfs/dbraw/zinc/84/94/54/347849454.db2.gz VXURZSXIZLUZCJ-UHFFFAOYSA-N 1 0 289.335 1.763 20 5 CDBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000086467499 179297863 /nfs/dbraw/zinc/29/78/63/179297863.db2.gz UUIIFTBIZTXWNL-MNOVXSKESA-N 1 0 277.324 1.346 20 5 CDBDRO O=C(NCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000034929640 348698864 /nfs/dbraw/zinc/69/88/64/348698864.db2.gz SVZSGEDYCJRKFP-UHFFFAOYSA-N 1 0 277.324 1.811 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCCCC1 ZINC000044529264 348764226 /nfs/dbraw/zinc/76/42/26/348764226.db2.gz HXWBJWULCDZSJD-UHFFFAOYSA-N 1 0 291.351 1.739 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[NH2+]C1(CO)CCOCC1 ZINC000069248551 349095736 /nfs/dbraw/zinc/09/57/36/349095736.db2.gz QQJDESSKBMNZTG-UHFFFAOYSA-N 1 0 296.323 1.105 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000068342267 349062893 /nfs/dbraw/zinc/06/28/93/349062893.db2.gz PZVPPHXSLJUARS-CYBMUJFWSA-N 1 0 291.351 1.690 20 5 CDBDRO COc1ccc(C[NH2+][C@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000092395041 180376634 /nfs/dbraw/zinc/37/66/34/180376634.db2.gz UECFRJMDVXHLJO-LLVKDONJSA-N 1 0 268.313 1.710 20 5 CDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC[C@H]1CC[NH2+]C1 ZINC000110794720 186325430 /nfs/dbraw/zinc/32/54/30/186325430.db2.gz FUBDYWOAVAWKQT-VUUYWXRKSA-N 1 0 289.335 1.724 20 5 CDBDRO Nc1ccc(NCC[NH+]2CCSCC2)nc1[N+](=O)[O-] ZINC000311827949 350723568 /nfs/dbraw/zinc/72/35/68/350723568.db2.gz OPNAQXINIPDOEH-UHFFFAOYSA-N 1 0 283.357 1.033 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000312403881 350768668 /nfs/dbraw/zinc/76/86/68/350768668.db2.gz HXLMIRXMVRNKKY-LNLATYFQSA-N 1 0 280.328 1.050 20 5 CDBDRO COCC[N@@H+]1CCC[C@@H](Nc2ncc(C)cc2[N+](=O)[O-])C1 ZINC000078660357 350839888 /nfs/dbraw/zinc/83/98/88/350839888.db2.gz DKJWINAEMWMXIW-GFCCVEGCSA-N 1 0 294.355 1.821 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000111303677 186393837 /nfs/dbraw/zinc/39/38/37/186393837.db2.gz NOUZFSHSQSJVNX-MRVPVSSYSA-N 1 0 271.704 1.715 20 5 CDBDRO C[C@@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000130272831 187483004 /nfs/dbraw/zinc/48/30/04/187483004.db2.gz ZLWSITUGYUGYPX-ZYHUDNBSSA-N 1 0 293.323 1.151 20 5 CDBDRO CCO[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H]1OC ZINC000157191350 351593406 /nfs/dbraw/zinc/59/34/06/351593406.db2.gz GWQBJTIOBVMUJL-ZNMIVQPWSA-N 1 0 294.351 1.919 20 5 CDBDRO CN(CC[NH+](C)C)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000175166256 366041615 /nfs/dbraw/zinc/04/16/15/366041615.db2.gz ILDJRUZDMLWRHD-UHFFFAOYSA-N 1 0 292.339 1.477 20 5 CDBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000122060045 187012983 /nfs/dbraw/zinc/01/29/83/187012983.db2.gz OIZRZVDFMDYULH-LBPRGKRZSA-N 1 0 269.301 1.681 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH3+] ZINC000122268645 187023398 /nfs/dbraw/zinc/02/33/98/187023398.db2.gz KDNZDPAACKFUQT-UHFFFAOYSA-N 1 0 251.286 1.370 20 5 CDBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1COC[C@H]1O ZINC000330618249 366081895 /nfs/dbraw/zinc/08/18/95/366081895.db2.gz YCMGFJJSJSCEIN-VXGBXAGGSA-N 1 0 286.715 1.440 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273505904 192179051 /nfs/dbraw/zinc/17/90/51/192179051.db2.gz WADSGEYDZNOPKE-SNVBAGLBSA-N 1 0 296.302 1.950 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](CCO)c2ccccc2)n1 ZINC000271707081 191283513 /nfs/dbraw/zinc/28/35/13/191283513.db2.gz UNXZEDNHUIXFBE-ZDUSSCGKSA-N 1 0 290.323 1.505 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000295246653 199420676 /nfs/dbraw/zinc/42/06/76/199420676.db2.gz PTDWWGPTTXCCCG-SECBINFHSA-N 1 0 299.302 1.356 20 5 CDBDRO COc1cc(C(=O)NCC[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000063169964 363277956 /nfs/dbraw/zinc/27/79/56/363277956.db2.gz CVNLOPRFJDRVPC-QMMMGPOBSA-N 1 0 297.311 1.079 20 5 CDBDRO CCC[C@@H]([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000037029650 363316068 /nfs/dbraw/zinc/31/60/68/363316068.db2.gz IRDVXUXISOWSRG-SNVBAGLBSA-N 1 0 251.286 1.969 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365367701 363356633 /nfs/dbraw/zinc/35/66/33/363356633.db2.gz DPMKHQBWCMIYCZ-RISCZKNCSA-N 1 0 289.335 1.727 20 5 CDBDRO COC[C@@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])OC ZINC000358478436 356266140 /nfs/dbraw/zinc/26/61/40/356266140.db2.gz CBFJHXSNKLHEAL-SCXUMTSISA-N 1 0 280.324 1.859 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000336808554 356273865 /nfs/dbraw/zinc/27/38/65/356273865.db2.gz CFDYIRALIFMWDV-VIFPVBQESA-N 1 0 266.301 1.844 20 5 CDBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000293709800 198741524 /nfs/dbraw/zinc/74/15/24/198741524.db2.gz UNYPKVKGDYYYEK-NSHDSACASA-N 1 0 290.323 1.718 20 5 CDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@H]1CC[NH2+]C1 ZINC000052093050 356592957 /nfs/dbraw/zinc/59/29/57/356592957.db2.gz NUHTYWYWHAGDPM-ZWNMCFTASA-N 1 0 261.281 1.086 20 5 CDBDRO C[NH+](C)Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000560425868 356964103 /nfs/dbraw/zinc/96/41/03/356964103.db2.gz WXZKFGRJOPGPMY-UHFFFAOYSA-N 1 0 289.295 1.632 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH2+][C@@H](C)[C@H]1C ZINC000379432343 357113680 /nfs/dbraw/zinc/11/36/80/357113680.db2.gz JHVAPNKJWRSZLS-WDEREUQCSA-N 1 0 279.340 1.786 20 5 CDBDRO Cc1ccc(OC[C@@H](O)C[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000290529749 357213048 /nfs/dbraw/zinc/21/30/48/357213048.db2.gz DBQXEOFICQCYDV-LBPRGKRZSA-N 1 0 280.324 1.737 20 5 CDBDRO COC(=O)[C@H](C)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000048335822 357178347 /nfs/dbraw/zinc/17/83/47/357178347.db2.gz QGOPNACCBLUEHX-SNVBAGLBSA-N 1 0 266.297 1.836 20 5 CDBDRO COc1cccc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1[N+](=O)[O-] ZINC000135059730 357315096 /nfs/dbraw/zinc/31/50/96/357315096.db2.gz IWOKTVQHAQPZSK-MNOVXSKESA-N 1 0 277.324 1.934 20 5 CDBDRO O=c1c(F)cc([N+](=O)[O-])cn1CC[C@H]1CCC[NH2+]C1 ZINC000566183058 357430633 /nfs/dbraw/zinc/43/06/33/357430633.db2.gz AIGAGWOIMSIXMV-SECBINFHSA-N 1 0 269.276 1.285 20 5 CDBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(=O)NCCF ZINC000282779250 357474873 /nfs/dbraw/zinc/47/48/73/357474873.db2.gz VPBKSQLRYDVROW-MALLOTDXSA-N 1 0 295.314 1.672 20 5 CDBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)NCCF ZINC000282827402 357477922 /nfs/dbraw/zinc/47/79/22/357477922.db2.gz ZBGBPTBCNVWXFQ-SECBINFHSA-N 1 0 269.276 1.159 20 5 CDBDRO C[C@@H](CCn1cccn1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000159119077 357671633 /nfs/dbraw/zinc/67/16/33/357671633.db2.gz IAZPVHDGZMMYTG-NSHDSACASA-N 1 0 278.316 1.056 20 5 CDBDRO Cc1sc(C(=O)NCC2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000186336087 357639096 /nfs/dbraw/zinc/63/90/96/357639096.db2.gz ZDJUGLTVZCTBEG-UHFFFAOYSA-N 1 0 281.337 1.614 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC([NH2+]C2CC2)CC1 ZINC000361071788 357791774 /nfs/dbraw/zinc/79/17/74/357791774.db2.gz AFKFUDIBFDNYBP-UHFFFAOYSA-N 1 0 293.371 1.840 20 5 CDBDRO C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000361106258 357799964 /nfs/dbraw/zinc/79/99/64/357799964.db2.gz FIGRHLRFJMXKGC-QWHCGFSZSA-N 1 0 293.367 1.966 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000189303373 357994372 /nfs/dbraw/zinc/99/43/72/357994372.db2.gz AGQOBRNTCXXGOW-SFYZADRCSA-N 1 0 253.258 1.058 20 5 CDBDRO C[C@@H](O)C[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000189383932 358003077 /nfs/dbraw/zinc/00/30/77/358003077.db2.gz WFTIVGNMBGEKDT-SNVBAGLBSA-N 1 0 285.369 1.155 20 5 CDBDRO C[NH+](C)C[C@@](C)(O)CNc1ccc([N+](=O)[O-])s1 ZINC000611032700 358345494 /nfs/dbraw/zinc/34/54/94/358345494.db2.gz WLZIZVANEDYOGL-JTQLQIEISA-N 1 0 259.331 1.381 20 5 CDBDRO CC(C)[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094773900 358662842 /nfs/dbraw/zinc/66/28/42/358662842.db2.gz OYYMBYYOLNPZCT-LLVKDONJSA-N 1 0 256.277 1.840 20 5 CDBDRO C[C@@H]1CSCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176251358 358751172 /nfs/dbraw/zinc/75/11/72/358751172.db2.gz WJWLSMPSXFVERA-SECBINFHSA-N 1 0 256.331 1.229 20 5 CDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1c(F)cccc1[N+](=O)[O-] ZINC000287518148 358708220 /nfs/dbraw/zinc/70/82/20/358708220.db2.gz VELZMKUXMFFDGZ-LLVKDONJSA-N 1 0 296.346 1.782 20 5 CDBDRO O=C(NCCNc1cc[nH+]cc1)c1ccc([N+](=O)[O-])cc1 ZINC000338072518 358738094 /nfs/dbraw/zinc/73/80/94/358738094.db2.gz IWJKODACGJYKAC-UHFFFAOYSA-N 1 0 286.291 1.254 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000128353379 366477036 /nfs/dbraw/zinc/47/70/36/366477036.db2.gz NKAGCBBYWPVQHL-GFCCVEGCSA-N 1 0 279.340 1.787 20 5 CDBDRO [NH3+]C1(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000236166657 283405647 /nfs/dbraw/zinc/40/56/47/283405647.db2.gz CWXZQMZCYSHURY-UHFFFAOYSA-N 1 0 283.715 1.859 20 5 CDBDRO COCC[C@@H]1COCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000291228976 358899056 /nfs/dbraw/zinc/89/90/56/358899056.db2.gz MENIQNWREYVQFO-GFCCVEGCSA-N 1 0 298.314 1.971 20 5 CDBDRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000150845007 359067800 /nfs/dbraw/zinc/06/78/00/359067800.db2.gz GCVOHSOLDGWAMV-MNOVXSKESA-N 1 0 275.308 1.611 20 5 CDBDRO COCC[N@H+](C)CCNc1c(F)cccc1[N+](=O)[O-] ZINC000287679672 359104208 /nfs/dbraw/zinc/10/42/08/359104208.db2.gz DEGVDOSHOHAAIP-UHFFFAOYSA-N 1 0 271.292 1.724 20 5 CDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000342565777 359105812 /nfs/dbraw/zinc/10/58/12/359105812.db2.gz PKEQFOHREKOBMX-SNVBAGLBSA-N 1 0 295.314 1.900 20 5 CDBDRO CC(=O)NCCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338360608 359119149 /nfs/dbraw/zinc/11/91/49/359119149.db2.gz OOGDFOPJASSMRL-UHFFFAOYSA-N 1 0 279.340 1.595 20 5 CDBDRO COC(=O)CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000050065003 359289876 /nfs/dbraw/zinc/28/98/76/359289876.db2.gz WYDRCOUHAYEHNS-UHFFFAOYSA-N 1 0 266.297 1.980 20 5 CDBDRO CC(C)[NH2+]CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015959 359275412 /nfs/dbraw/zinc/27/54/12/359275412.db2.gz FHTHQPXEZGLQHN-UHFFFAOYSA-N 1 0 251.286 1.209 20 5 CDBDRO C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000050162890 359352631 /nfs/dbraw/zinc/35/26/31/359352631.db2.gz ZWNCIDUBPDRXFT-WDEREUQCSA-N 1 0 277.324 1.713 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2CCC2)c1 ZINC000571277252 359556822 /nfs/dbraw/zinc/55/68/22/359556822.db2.gz DCWRPRXRJRILQI-LBPRGKRZSA-N 1 0 266.297 1.477 20 5 CDBDRO Cc1nc(N(C)[C@H]2CCC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC000297098907 200084398 /nfs/dbraw/zinc/08/43/98/200084398.db2.gz LAFDONXMWQPCDF-JTQLQIEISA-N 1 0 265.317 1.224 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000297477435 200203989 /nfs/dbraw/zinc/20/39/89/200203989.db2.gz ZHRHJAXXNIJQPS-VXNVDRBHSA-N 1 0 269.326 1.608 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000089106087 283482621 /nfs/dbraw/zinc/48/26/21/283482621.db2.gz YLTIOQXEUXBADD-JGVFFNPUSA-N 1 0 281.341 1.843 20 5 CDBDRO Cc1nc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000297553307 200225560 /nfs/dbraw/zinc/22/55/60/200225560.db2.gz QYPNUBDNSVYRQF-WPRPVWTQSA-N 1 0 277.328 1.730 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000089107519 283502204 /nfs/dbraw/zinc/50/22/04/283502204.db2.gz BSSXGHPKBQWTKB-SKDRFNHKSA-N 1 0 295.314 1.981 20 5 CDBDRO COCCN(C)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572179377 359968743 /nfs/dbraw/zinc/96/87/43/359968743.db2.gz SJAGDYZVJNWFNZ-CQSZACIVSA-N 1 0 293.367 1.750 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000054263990 360065822 /nfs/dbraw/zinc/06/58/22/360065822.db2.gz LPARCIHQPPLCFB-UHFFFAOYSA-N 1 0 281.312 1.333 20 5 CDBDRO Cc1nc(N2CC[N@@H+](C)C[C@@H]2C(C)C)ncc1[N+](=O)[O-] ZINC000514839881 360235954 /nfs/dbraw/zinc/23/59/54/360235954.db2.gz CBLDUCDCPCNDNG-GFCCVEGCSA-N 1 0 279.344 1.470 20 5 CDBDRO Cc1c(C(=O)NCC[C@H](C)[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000178671034 189136111 /nfs/dbraw/zinc/13/61/11/189136111.db2.gz FVQPANVEAPZPPR-ZETCQYMHSA-N 1 0 296.283 1.279 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000178755514 189143038 /nfs/dbraw/zinc/14/30/38/189143038.db2.gz MFXASMKGXVDHOM-VIFPVBQESA-N 1 0 295.364 1.799 20 5 CDBDRO CC(C)(O)CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000267426864 360795482 /nfs/dbraw/zinc/79/54/82/360795482.db2.gz NJGXCOMGFNQICS-UHFFFAOYSA-N 1 0 293.367 1.878 20 5 CDBDRO CCCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000178929685 189155423 /nfs/dbraw/zinc/15/54/23/189155423.db2.gz AHQIJZIEQYHIOK-NSHDSACASA-N 1 0 292.339 1.391 20 5 CDBDRO O=C1CC2(CN1)CC[NH+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000267686609 361302849 /nfs/dbraw/zinc/30/28/49/361302849.db2.gz RKSPDSUQBGZVEM-UHFFFAOYSA-N 1 0 289.335 1.697 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000168703354 361392779 /nfs/dbraw/zinc/39/27/79/361392779.db2.gz WLHPUYVRHUBWLC-GHMZBOCLSA-N 1 0 277.324 1.713 20 5 CDBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1CCC[N@H+](C)C1 ZINC000053251036 361403328 /nfs/dbraw/zinc/40/33/28/361403328.db2.gz LCIWGWLPWIHYPC-NSHDSACASA-N 1 0 292.339 1.343 20 5 CDBDRO C[NH2+]CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000036283414 361414655 /nfs/dbraw/zinc/41/46/55/361414655.db2.gz ZZMQPKVGSGOHCF-UHFFFAOYSA-N 1 0 252.274 1.326 20 5 CDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCC[C@@H]1CC[NH2+]C1 ZINC000262565054 361417398 /nfs/dbraw/zinc/41/73/98/361417398.db2.gz CECNWXPBMZZHTD-NSHDSACASA-N 1 0 293.323 1.089 20 5 CDBDRO Cn1c(C(=O)NC(C)(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000456208769 364008207 /nfs/dbraw/zinc/00/82/07/364008207.db2.gz UQCHQHPYUMHGDX-UHFFFAOYSA-N 1 0 296.371 1.784 20 5 CDBDRO COc1ccc(C[N@@H+]2CCC[C@]2(C)CO)cc1[N+](=O)[O-] ZINC000545398179 364073613 /nfs/dbraw/zinc/07/36/13/364073613.db2.gz BDABOTMIAVZJEQ-CQSZACIVSA-N 1 0 280.324 1.950 20 5 CDBDRO CC(C)[NH2+]CCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000582360346 364081108 /nfs/dbraw/zinc/08/11/08/364081108.db2.gz KRFSIRSBSLPJRA-UHFFFAOYSA-N 1 0 283.303 1.852 20 5 CDBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000268134161 364332605 /nfs/dbraw/zinc/33/26/05/364332605.db2.gz GHEOIUUHVIGCSE-UHFFFAOYSA-N 1 0 295.314 1.902 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000174820715 364573520 /nfs/dbraw/zinc/57/35/20/364573520.db2.gz GMUDKODPRORAOY-NSHDSACASA-N 1 0 280.328 1.292 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000344592934 365038499 /nfs/dbraw/zinc/03/84/99/365038499.db2.gz PXFRSCUTJOOOFN-NSHDSACASA-N 1 0 292.339 1.623 20 5 CDBDRO CO[C@H](C)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000573110763 365094205 /nfs/dbraw/zinc/09/42/05/365094205.db2.gz FOEACJBTOKEQCZ-LLVKDONJSA-N 1 0 295.339 1.938 20 5 CDBDRO CNC(=O)c1ccc(N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000213308977 366974601 /nfs/dbraw/zinc/97/46/01/366974601.db2.gz SDZANDJMWZTEEL-VIFPVBQESA-N 1 0 280.328 1.316 20 5 CDBDRO Cc1ccc(NC(=O)N[C@@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000414659041 241306081 /nfs/dbraw/zinc/30/60/81/241306081.db2.gz MKMUXPLHTSYWAW-VIFPVBQESA-N 1 0 266.301 1.762 20 5 CDBDRO Cc1c(NC(=O)NC[C@H]2C[NH2+]CCO2)cccc1[N+](=O)[O-] ZINC000414696433 241333473 /nfs/dbraw/zinc/33/34/73/241333473.db2.gz HNUQHQLXOWOLBD-SNVBAGLBSA-N 1 0 294.311 1.013 20 5 CDBDRO CC(C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000020120739 367013388 /nfs/dbraw/zinc/01/33/88/367013388.db2.gz KZSZVWJJCWVYOR-UHFFFAOYSA-N 1 0 293.367 1.795 20 5 CDBDRO C[NH+](C)C1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000272155992 367156140 /nfs/dbraw/zinc/15/61/40/367156140.db2.gz YGFZCMWHZPQAHJ-UHFFFAOYSA-N 1 0 264.285 1.373 20 5 CDBDRO Cc1ccc(CN[C@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000414993495 241507631 /nfs/dbraw/zinc/50/76/31/241507631.db2.gz SPTCHAZIZKETHV-SNVBAGLBSA-N 1 0 273.283 1.975 20 5 CDBDRO Cc1cc(NC(=O)NCC[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000415424450 241679364 /nfs/dbraw/zinc/67/93/64/241679364.db2.gz AZAJMDMDVAEKAW-VIFPVBQESA-N 1 0 266.301 1.762 20 5 CDBDRO CCc1ccc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000272194335 367310428 /nfs/dbraw/zinc/31/04/28/367310428.db2.gz FPUXHOTYHBKCMO-MFKMUULPSA-N 1 0 291.351 1.967 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CCCCO1 ZINC000090519077 367568491 /nfs/dbraw/zinc/56/84/91/367568491.db2.gz HNWZTNZAYVBGCO-ZDUSSCGKSA-N 1 0 295.339 1.257 20 5 CDBDRO CC(C)c1ccc(CN(C)[C@@H]2COC[C@@H]2O)cc1[N+](=O)[O-] ZINC000348639786 367598513 /nfs/dbraw/zinc/59/85/13/367598513.db2.gz FBEOUYALSPAROV-CABCVRRESA-N 1 0 294.351 1.910 20 5 CDBDRO C[C@H](NC(=O)N1CC[C@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417128350 242329975 /nfs/dbraw/zinc/32/99/75/242329975.db2.gz IFEGHJLGNRGDLP-WDEREUQCSA-N 1 0 292.339 1.646 20 5 CDBDRO C[C@H](NC(=O)N[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000417145750 242335851 /nfs/dbraw/zinc/33/58/51/242335851.db2.gz XLPGQOLSOVIGTA-JQWIXIFHSA-N 1 0 292.339 1.707 20 5 CDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000122690484 367679617 /nfs/dbraw/zinc/67/96/17/367679617.db2.gz WFPULNLADYFZJF-VIFPVBQESA-N 1 0 268.317 1.368 20 5 CDBDRO CC[N@H+](CCNc1ncc([N+](=O)[O-])c(N)n1)C(C)C ZINC000301143554 368076946 /nfs/dbraw/zinc/07/69/46/368076946.db2.gz DOHXNRARKFYRDJ-UHFFFAOYSA-N 1 0 268.321 1.109 20 5 CDBDRO CC(C)(NC(=O)NCCCC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000418513298 243163201 /nfs/dbraw/zinc/16/32/01/243163201.db2.gz RTAAFIQETOPZDZ-UHFFFAOYSA-N 1 0 294.355 1.868 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000418529379 243183879 /nfs/dbraw/zinc/18/38/79/243183879.db2.gz TXXWOXDQWRSANL-SNVBAGLBSA-N 1 0 280.328 1.126 20 5 CDBDRO O=c1c(F)cc([N+](=O)[O-])cn1CCC[NH+]1CCCCC1 ZINC000571284149 294402884 /nfs/dbraw/zinc/40/28/84/294402884.db2.gz MWUGNKIQIBDTNH-UHFFFAOYSA-N 1 0 283.303 1.772 20 5 CDBDRO CNC(=O)CC[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000170781271 369050344 /nfs/dbraw/zinc/05/03/44/369050344.db2.gz ZYKMQRLKXMZUKW-UHFFFAOYSA-N 1 0 281.312 1.042 20 5 CDBDRO C[C@@H]1C[N@H+](C)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000330660800 203091078 /nfs/dbraw/zinc/09/10/78/203091078.db2.gz BQDNZPMTQTUKGS-SNVBAGLBSA-N 1 0 292.339 1.614 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000420277684 244013885 /nfs/dbraw/zinc/01/38/85/244013885.db2.gz IRQPADAXGXTLTJ-MNOVXSKESA-N 1 0 264.329 1.650 20 5 CDBDRO Cc1cc(NC[C@H]2CCC[C@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000420292163 244036841 /nfs/dbraw/zinc/03/68/41/244036841.db2.gz WMYWYNMDFMDSOV-QWRGUYRKSA-N 1 0 264.329 1.650 20 5 CDBDRO CC1(C)CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000094325101 139694193 /nfs/dbraw/zinc/69/41/93/139694193.db2.gz LRTKRCMZCNDNDA-CHWSQXEVSA-N 1 0 296.371 1.711 20 5 CDBDRO [NH3+]CC[C@@H](NC1CC(n2cc([N+](=O)[O-])cn2)C1)C(F)F ZINC001580284836 1172393219 /nfs/dbraw/zinc/39/32/19/1172393219.db2.gz URXUCPKXQGGTEX-SFVIPPHHSA-N 1 0 289.286 1.067 20 5 CDBDRO CC[N@@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000301245732 369918679 /nfs/dbraw/zinc/91/86/79/369918679.db2.gz LDFFPTFFSNIEJX-VIFPVBQESA-N 1 0 280.332 1.253 20 5 CDBDRO CC[C@@H]([NH2+]CCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000037740588 370036985 /nfs/dbraw/zinc/03/69/85/370036985.db2.gz OQTHWWZUAQRKEB-GFCCVEGCSA-N 1 0 286.353 1.680 20 5 CDBDRO [NH3+]CCCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000037714471 369983335 /nfs/dbraw/zinc/98/33/35/369983335.db2.gz SNHNWIJSCLXHDS-UHFFFAOYSA-N 1 0 271.704 1.717 20 5 CDBDRO O=C(N[C@H]1CC[NH2+]C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000052093000 284205079 /nfs/dbraw/zinc/20/50/79/284205079.db2.gz PGQRYLJZCVUJRU-QMMMGPOBSA-N 1 0 269.688 1.340 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000275048511 370201677 /nfs/dbraw/zinc/20/16/77/370201677.db2.gz UTLNYEQJJXPROS-LLVKDONJSA-N 1 0 292.339 1.976 20 5 CDBDRO COC1(C[NH2+]CCc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000277116376 193558851 /nfs/dbraw/zinc/55/88/51/193558851.db2.gz YEWWFZODEPAEDV-UHFFFAOYSA-N 1 0 294.351 1.923 20 5 CDBDRO CC[C@H](CO)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000295601924 370515433 /nfs/dbraw/zinc/51/54/33/370515433.db2.gz CKDFKSOQBKGSKY-VXGBXAGGSA-N 1 0 298.339 1.037 20 5 CDBDRO C[NH2+]C[C@@H](C)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000414849335 370592327 /nfs/dbraw/zinc/59/23/27/370592327.db2.gz XZXWPCRLXKCCGE-SNVBAGLBSA-N 1 0 251.330 1.848 20 5 CDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000422757179 245221160 /nfs/dbraw/zinc/22/11/60/245221160.db2.gz HLYKNNQHIWQKNM-VIFPVBQESA-N 1 0 295.364 1.880 20 5 CDBDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298855309 372322378 /nfs/dbraw/zinc/32/23/78/372322378.db2.gz FIAXGLCBKIKFJX-UHFFFAOYSA-N 1 0 268.317 1.241 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000273705445 373984448 /nfs/dbraw/zinc/98/44/48/373984448.db2.gz DJYNFBGSJYVRLW-ZYHUDNBSSA-N 1 0 277.328 1.305 20 5 CDBDRO CCc1nn(C)c(N[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000091562318 374039424 /nfs/dbraw/zinc/03/94/24/374039424.db2.gz KWMIDWPEXQUDCP-VIFPVBQESA-N 1 0 279.344 1.539 20 5 CDBDRO O=C(NCCC[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298887236 374251369 /nfs/dbraw/zinc/25/13/69/374251369.db2.gz SLTDMUCHBGPPOX-UHFFFAOYSA-N 1 0 294.355 1.919 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000298965833 374280340 /nfs/dbraw/zinc/28/03/40/374280340.db2.gz FPNNRGCHAHIHSZ-KGLIPLIRSA-N 1 0 289.335 1.951 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000312198628 374280405 /nfs/dbraw/zinc/28/04/05/374280405.db2.gz COYXXJWXDDQWIC-PCQKXGFJSA-N 1 0 275.308 1.414 20 5 CDBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000066947558 374374608 /nfs/dbraw/zinc/37/46/08/374374608.db2.gz IFDXAJOSUGBBGP-JTQLQIEISA-N 1 0 281.312 1.744 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000370002580 374374088 /nfs/dbraw/zinc/37/40/88/374374088.db2.gz QOCFFFBUSUWEEG-NSHDSACASA-N 1 0 276.296 1.874 20 5 CDBDRO C[C@H]1C[NH2+]CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000347151265 374374080 /nfs/dbraw/zinc/37/40/80/374374080.db2.gz ZTWMHINYJBLCNS-RNZFLTOJSA-N 1 0 261.325 1.902 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423851943 246145231 /nfs/dbraw/zinc/14/52/31/246145231.db2.gz SOYWYHXEBSWZHG-MRVPVSSYSA-N 1 0 285.731 1.720 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH3+] ZINC000423534616 374390640 /nfs/dbraw/zinc/39/06/40/374390640.db2.gz AMMHGPJJDJSTBR-SECBINFHSA-N 1 0 251.286 1.289 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH+](C)C)c1 ZINC000067778636 374429612 /nfs/dbraw/zinc/42/96/12/374429612.db2.gz AJHUFGSYELURJI-UHFFFAOYSA-N 1 0 295.339 1.673 20 5 CDBDRO Cc1ccnc(N(C)CC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000274458724 374673421 /nfs/dbraw/zinc/67/34/21/374673421.db2.gz JZBHQCSTRDAIQU-UHFFFAOYSA-N 1 0 264.329 1.829 20 5 CDBDRO COc1ccc(C[NH2+][C@@]2(CCO)CCOC2)cc1[N+](=O)[O-] ZINC000278112354 374831150 /nfs/dbraw/zinc/83/11/50/374831150.db2.gz BLUAZQZUQFDEGF-AWEZNQCLSA-N 1 0 296.323 1.235 20 5 CDBDRO O=C([C@@H]1CC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000150845479 284493437 /nfs/dbraw/zinc/49/34/37/284493437.db2.gz XBWRZMOPZBBXBX-SNVBAGLBSA-N 1 0 261.281 1.093 20 5 CDBDRO Cc1ccccc1[C@H](CO)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000543839929 374946259 /nfs/dbraw/zinc/94/62/59/374946259.db2.gz OALGWANTONCTMR-ZDUSSCGKSA-N 1 0 290.323 1.423 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000125783187 375056444 /nfs/dbraw/zinc/05/64/44/375056444.db2.gz WAHLYFGGHQGHGM-RAIGVLPGSA-N 1 0 289.335 1.794 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161982830 375248368 /nfs/dbraw/zinc/24/83/68/375248368.db2.gz JBQBZLRBYCITKQ-UWVGGRQHSA-N 1 0 293.323 1.603 20 5 CDBDRO COC[C@@H](O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000129581785 375211090 /nfs/dbraw/zinc/21/10/90/375211090.db2.gz CHXSZWCIOBGMRY-KBPBESRZSA-N 1 0 294.351 1.513 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000162146030 375282468 /nfs/dbraw/zinc/28/24/68/375282468.db2.gz NEDVTTXCHUJXIT-MNOVXSKESA-N 1 0 292.339 1.393 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000131689117 375314934 /nfs/dbraw/zinc/31/49/34/375314934.db2.gz UKJFXSGJEIWIOB-LBPRGKRZSA-N 1 0 276.340 1.912 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000131707317 375324200 /nfs/dbraw/zinc/32/42/00/375324200.db2.gz RLUARGDDCSJJHK-WDEREUQCSA-N 1 0 292.339 1.202 20 5 CDBDRO CN(Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1COC[C@@H]1O ZINC000352813347 375540448 /nfs/dbraw/zinc/54/04/48/375540448.db2.gz CSARMQMFUYNSHO-NEPJUHHUSA-N 1 0 286.715 1.440 20 5 CDBDRO C[N@@H+]1CC[C@@H](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000352910484 375551633 /nfs/dbraw/zinc/55/16/33/375551633.db2.gz DFDKSNGZTKQOND-SSDOTTSWSA-N 1 0 289.133 1.506 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000132760093 375585626 /nfs/dbraw/zinc/58/56/26/375585626.db2.gz JTTHYLQESORCBY-UWVGGRQHSA-N 1 0 295.314 1.933 20 5 CDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1C ZINC000354423222 375708640 /nfs/dbraw/zinc/70/86/40/375708640.db2.gz IGLLLUCMSPBQHK-MNOVXSKESA-N 1 0 294.355 1.868 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCN2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428040578 247234361 /nfs/dbraw/zinc/23/43/61/247234361.db2.gz WRUOGAWMRXUPRG-SWLSCSKDSA-N 1 0 291.351 1.657 20 5 CDBDRO C[N@@H+]1CC[C@@](O)(CNc2ccccc2[N+](=O)[O-])C1 ZINC000358325092 375960410 /nfs/dbraw/zinc/96/04/10/375960410.db2.gz AJKBMLNYCGFPIE-GFCCVEGCSA-N 1 0 251.286 1.073 20 5 CDBDRO C[C@@H]([NH2+]C1CC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000296485785 376303967 /nfs/dbraw/zinc/30/39/67/376303967.db2.gz QGNBTCMFZJDQGE-SNVBAGLBSA-N 1 0 277.324 1.394 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000127342736 377078163 /nfs/dbraw/zinc/07/81/63/377078163.db2.gz JXFZSEWKGWQYQX-PSASIEDQSA-N 1 0 267.333 1.293 20 5 CDBDRO COc1cc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)ccc1[N+](=O)[O-] ZINC000189302422 377226870 /nfs/dbraw/zinc/22/68/70/377226870.db2.gz GNDWUVSSZPVHMW-MWLCHTKSSA-N 1 0 293.323 1.474 20 5 CDBDRO C[C@@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCC[N@@H+]1C ZINC000345290857 377817065 /nfs/dbraw/zinc/81/70/65/377817065.db2.gz MHNSNNPACRSGAL-KOLCDFICSA-N 1 0 292.339 1.390 20 5 CDBDRO CC(C)[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000266888794 378310732 /nfs/dbraw/zinc/31/07/32/378310732.db2.gz DAXIQMQEYVNRPX-GFCCVEGCSA-N 1 0 252.318 1.912 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173455978 378430356 /nfs/dbraw/zinc/43/03/56/378430356.db2.gz CFZCJCGEXNESIO-AWEZNQCLSA-N 1 0 291.351 1.690 20 5 CDBDRO CC(C)(C)[C@H](CO)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000278674572 194095742 /nfs/dbraw/zinc/09/57/42/194095742.db2.gz IKOULGOUQAIMIA-ZDUSSCGKSA-N 1 0 282.340 1.970 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NCCC[NH+]2CCN(C)CC2)c1 ZINC000446895290 250322418 /nfs/dbraw/zinc/32/24/18/250322418.db2.gz WRFJROYWTROAAV-UHFFFAOYSA-N 1 0 292.383 1.953 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000449584940 250915865 /nfs/dbraw/zinc/91/58/65/250915865.db2.gz DXVKAEZZSYXBLY-NXEZZACHSA-N 1 0 265.313 1.379 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000288784568 197165828 /nfs/dbraw/zinc/16/58/28/197165828.db2.gz QGLUXGRTVKLSFG-DGCLKSJQSA-N 1 0 291.351 1.642 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[NH2+]CC1 ZINC000036243874 285091288 /nfs/dbraw/zinc/09/12/88/285091288.db2.gz ULIHMHQPFCONRA-UHFFFAOYSA-N 1 0 256.693 1.443 20 5 CDBDRO C[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[NH+](C)C ZINC000288653805 197137142 /nfs/dbraw/zinc/13/71/42/197137142.db2.gz ZUWUMFHEDSLPDH-MRVPVSSYSA-N 1 0 291.311 1.606 20 5 CDBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000281293815 195184595 /nfs/dbraw/zinc/18/45/95/195184595.db2.gz WTVSPJUJKKXPHU-CQSZACIVSA-N 1 0 277.324 1.553 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000285941662 390186988 /nfs/dbraw/zinc/18/69/88/390186988.db2.gz FYIPQYCXXUCPRU-JTQLQIEISA-N 1 0 292.339 1.521 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000320698164 390488533 /nfs/dbraw/zinc/48/85/33/390488533.db2.gz NRMRGNGHZBXIND-NXEZZACHSA-N 1 0 265.313 1.759 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000262016951 390494744 /nfs/dbraw/zinc/49/47/44/390494744.db2.gz WKCGETGLVQWQCO-JTQLQIEISA-N 1 0 278.312 1.001 20 5 CDBDRO CCc1ccc(C(=O)NC[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000236963870 390542783 /nfs/dbraw/zinc/54/27/83/390542783.db2.gz XROGMRSSEVRUED-SECBINFHSA-N 1 0 265.313 1.482 20 5 CDBDRO O=C(COc1ccccc1[N+](=O)[O-])NCCC[NH2+]C1CC1 ZINC000566069667 390673791 /nfs/dbraw/zinc/67/37/91/390673791.db2.gz DVMHWQYTKFFXRO-UHFFFAOYSA-N 1 0 293.323 1.232 20 5 CDBDRO C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000430919778 390942342 /nfs/dbraw/zinc/94/23/42/390942342.db2.gz MCZLIPLFAKDQOX-SMDDNHRTSA-N 1 0 279.340 1.643 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CNCCO1 ZINC000415091913 391014342 /nfs/dbraw/zinc/01/43/42/391014342.db2.gz DLYHQJSEOQURBX-DXTPNHAXSA-N 1 0 277.324 1.186 20 5 CDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000354005507 390994492 /nfs/dbraw/zinc/99/44/92/390994492.db2.gz HAFALSKSKKVUMG-SNVBAGLBSA-N 1 0 295.314 1.900 20 5 CDBDRO COc1ccc(NC(=O)NC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000415451502 391448767 /nfs/dbraw/zinc/44/87/67/391448767.db2.gz XIYGPSHJIMPMSR-SNVBAGLBSA-N 1 0 294.311 1.462 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415484453 391466608 /nfs/dbraw/zinc/46/66/08/391466608.db2.gz OJVHZGJUJSDWLJ-IWIIMEHWSA-N 1 0 290.323 1.551 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000415497552 391467862 /nfs/dbraw/zinc/46/78/62/391467862.db2.gz IBFBKEOGIVDHIC-VIFPVBQESA-N 1 0 266.301 1.762 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC(C)(C)C[NH3+] ZINC000415505498 391468451 /nfs/dbraw/zinc/46/84/51/391468451.db2.gz QKBAGZXRBPVIFZ-UHFFFAOYSA-N 1 0 282.300 1.462 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000415505512 391468512 /nfs/dbraw/zinc/46/85/12/391468512.db2.gz QLBVRWCXDBPKTJ-SECBINFHSA-N 1 0 264.285 1.387 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]([NH3+])C(C)C ZINC000415509131 391468546 /nfs/dbraw/zinc/46/85/46/391468546.db2.gz VWKDISTVPHDSQY-JTQLQIEISA-N 1 0 296.327 1.708 20 5 CDBDRO CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000415628124 391469456 /nfs/dbraw/zinc/46/94/56/391469456.db2.gz DPTIBEYNAPGNRR-UHFFFAOYSA-N 1 0 296.302 1.950 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415630848 391469466 /nfs/dbraw/zinc/46/94/66/391469466.db2.gz LOLAEGBAGXGCRG-QPUJVOFHSA-N 1 0 296.302 1.996 20 5 CDBDRO CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1C[NH2+]C1 ZINC000415630133 391469762 /nfs/dbraw/zinc/46/97/62/391469762.db2.gz KDGJWKBSKDTOGB-UHFFFAOYSA-N 1 0 268.248 1.169 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[NH3+] ZINC000415758801 391471458 /nfs/dbraw/zinc/47/14/58/391471458.db2.gz IBNBXSWWXYFMMN-QMMMGPOBSA-N 1 0 266.301 1.626 20 5 CDBDRO CCNC(=O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000236884345 391550392 /nfs/dbraw/zinc/55/03/92/391550392.db2.gz ZZTVLFUEYMDESZ-FNORWQNLSA-N 1 0 263.297 1.334 20 5 CDBDRO CCc1ccc(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000237138344 131007723 /nfs/dbraw/zinc/00/77/23/131007723.db2.gz WIFIROBCHXCACK-WDEREUQCSA-N 1 0 291.351 1.980 20 5 CDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[NH2+]C1 ZINC000238030090 131073204 /nfs/dbraw/zinc/07/32/04/131073204.db2.gz KENJJTBRDHHGPJ-SNVBAGLBSA-N 1 0 295.364 1.555 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000261638994 131158846 /nfs/dbraw/zinc/15/88/46/131158846.db2.gz WTLNHGLTBYXINI-FYBVGQRMSA-N 1 0 283.353 1.773 20 5 CDBDRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000262275130 131207876 /nfs/dbraw/zinc/20/78/76/131207876.db2.gz WICVNPMFJIIGOK-VIFPVBQESA-N 1 0 293.323 1.500 20 5 CDBDRO C[C@H]1C[C@@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])CC[NH2+]1 ZINC000262315289 131210233 /nfs/dbraw/zinc/21/02/33/131210233.db2.gz BESLAGKPTCERED-QWRGUYRKSA-N 1 0 289.335 1.872 20 5 CDBDRO C[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000263781255 131329084 /nfs/dbraw/zinc/32/90/84/131329084.db2.gz YXJAQXCIJXPTQJ-NSHDSACASA-N 1 0 277.324 1.899 20 5 CDBDRO Cc1nc(NCc2ccc([C@@H](C)[NH3+])cc2)ncc1[N+](=O)[O-] ZINC000420205331 392904346 /nfs/dbraw/zinc/90/43/46/392904346.db2.gz IVXIVMWIVSWSNH-SECBINFHSA-N 1 0 287.323 1.747 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000521773795 392868954 /nfs/dbraw/zinc/86/89/54/392868954.db2.gz HQYWFKMOWQYUCT-SNVBAGLBSA-N 1 0 292.339 1.147 20 5 CDBDRO C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000269214375 132133745 /nfs/dbraw/zinc/13/37/45/132133745.db2.gz OYCLSGHKPTXLGO-MFKMUULPSA-N 1 0 293.323 1.169 20 5 CDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC(C)(CO)CO ZINC000269317120 132154512 /nfs/dbraw/zinc/15/45/12/132154512.db2.gz MWBIZECOXCRZEI-UHFFFAOYSA-N 1 0 268.313 1.018 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000430210182 393092367 /nfs/dbraw/zinc/09/23/67/393092367.db2.gz CPXBIYRSINNROB-ZWNOBZJWSA-N 1 0 280.324 1.806 20 5 CDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC([NH3+])CC1 ZINC000430606746 393102695 /nfs/dbraw/zinc/10/26/95/393102695.db2.gz APGOLWZCWGVPGS-JTQLQIEISA-N 1 0 292.339 1.345 20 5 CDBDRO [NH3+][C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000430608110 393102750 /nfs/dbraw/zinc/10/27/50/393102750.db2.gz DOZQRAVXNCKAOT-JTQLQIEISA-N 1 0 251.286 1.007 20 5 CDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH3+])C1 ZINC000430643860 393103178 /nfs/dbraw/zinc/10/31/78/393103178.db2.gz MOWCGOJCTROJGH-GFCCVEGCSA-N 1 0 279.340 1.915 20 5 CDBDRO C[C@H](O)CN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H](C)CO ZINC000276234762 393116818 /nfs/dbraw/zinc/11/68/18/393116818.db2.gz TTYJSHPLLRBXFW-UWVGGRQHSA-N 1 0 286.303 1.298 20 5 CDBDRO CCOc1ccc(C(=O)NC[C@@H]([NH3+])CC)cc1[N+](=O)[O-] ZINC000449605088 393135435 /nfs/dbraw/zinc/13/54/35/393135435.db2.gz YUJWJRJTLFKJLJ-JTQLQIEISA-N 1 0 281.312 1.461 20 5 CDBDRO C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000449593541 393135573 /nfs/dbraw/zinc/13/55/73/393135573.db2.gz PGNSDDDPVBVBJF-WDEREUQCSA-N 1 0 294.355 1.639 20 5 CDBDRO CCOc1ccc(C(=O)N(C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000449626719 393135791 /nfs/dbraw/zinc/13/57/91/393135791.db2.gz DWEDPPPWGMMYIN-UHFFFAOYSA-N 1 0 293.323 1.555 20 5 CDBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332613670 393153636 /nfs/dbraw/zinc/15/36/36/393153636.db2.gz DRSRRWOCJCBWNC-NXEZZACHSA-N 1 0 268.317 1.064 20 5 CDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)CCCC[NH3+] ZINC000494655988 393236463 /nfs/dbraw/zinc/23/64/63/393236463.db2.gz SOJVBEVXQIQWLG-JTQLQIEISA-N 1 0 297.359 1.124 20 5 CDBDRO CC(C)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000090517027 393252918 /nfs/dbraw/zinc/25/29/18/393252918.db2.gz VUISVCHURVCABZ-UHFFFAOYSA-N 1 0 279.340 1.877 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227076210 393213805 /nfs/dbraw/zinc/21/38/05/393213805.db2.gz XHTMESFHKMQWHK-WPRPVWTQSA-N 1 0 267.333 1.293 20 5 CDBDRO C[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000089743516 139677318 /nfs/dbraw/zinc/67/73/18/139677318.db2.gz OGQOMSCAMMEJII-MNOVXSKESA-N 1 0 277.324 1.772 20 5 CDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)N(C)C ZINC000188994905 140106052 /nfs/dbraw/zinc/10/60/52/140106052.db2.gz FGEHLWWQUFOUJH-RYUDHWBXSA-N 1 0 293.367 1.982 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000216117683 140162059 /nfs/dbraw/zinc/16/20/59/140162059.db2.gz NKTWSMKORNRXHX-ZJUUUORDSA-N 1 0 278.312 1.796 20 5 CDBDRO Cc1cc(N2CCC[C@@H]([C@H](C)[NH3+])C2)ncc1[N+](=O)[O-] ZINC000227500896 140186081 /nfs/dbraw/zinc/18/60/81/140186081.db2.gz UXFSMBMAZHLLBT-WDEREUQCSA-N 1 0 264.329 1.862 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000235354195 140234910 /nfs/dbraw/zinc/23/49/10/140234910.db2.gz LELMBWWVYMYYJG-BXKDBHETSA-N 1 0 263.297 1.322 20 5 CDBDRO C[C@]1(C[NH3+])CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000261571828 140351124 /nfs/dbraw/zinc/35/11/24/140351124.db2.gz LIEZMPFXXARPBP-GFCCVEGCSA-N 1 0 253.277 1.909 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261574448 140352876 /nfs/dbraw/zinc/35/28/76/140352876.db2.gz BCZYFJHDPHNLEA-CQSZACIVSA-N 1 0 261.325 1.780 20 5 CDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000261596928 140360575 /nfs/dbraw/zinc/36/05/75/140360575.db2.gz YAIVXIOQERKZHJ-LLVKDONJSA-N 1 0 283.303 1.837 20 5 CDBDRO COC[C@@]1(CNc2ccc([N+](=O)[O-])cn2)CCC[NH2+]1 ZINC000261649579 140368934 /nfs/dbraw/zinc/36/89/34/140368934.db2.gz YAUUTBSFYQLUKN-LBPRGKRZSA-N 1 0 266.301 1.170 20 5 CDBDRO COC[C@@]1(CNc2nc(C)ccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261703363 140378077 /nfs/dbraw/zinc/37/80/77/140378077.db2.gz IRZXUJQJRZASCL-ZDUSSCGKSA-N 1 0 280.328 1.479 20 5 CDBDRO O=[N+]([O-])c1cc(CN2CCN([C@H]3CC[NH2+]C3)CC2)cs1 ZINC000261758776 140385747 /nfs/dbraw/zinc/38/57/47/140385747.db2.gz NNMRVSCCEJQLEQ-LBPRGKRZSA-N 1 0 296.396 1.136 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCF)n1 ZINC000436280826 296518598 /nfs/dbraw/zinc/51/85/98/296518598.db2.gz FLKOEJBALBLYCF-VHSXEESVSA-N 1 0 256.281 1.834 20 5 CDBDRO COc1cc(C(=O)NCC(C)(C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000127541436 147560311 /nfs/dbraw/zinc/56/03/11/147560311.db2.gz CHHAHZKBPBQEEV-UHFFFAOYSA-N 1 0 297.311 1.079 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)CC[NH3+] ZINC000311011324 149207237 /nfs/dbraw/zinc/20/72/37/149207237.db2.gz PFBBJLULULASAH-SECBINFHSA-N 1 0 251.286 1.370 20 5 CDBDRO Cc1nc(NC[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000311100741 149209889 /nfs/dbraw/zinc/20/98/89/149209889.db2.gz KDLULRIKFVNSFR-SECBINFHSA-N 1 0 252.318 1.908 20 5 CDBDRO CC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000343599330 152239160 /nfs/dbraw/zinc/23/91/60/152239160.db2.gz VINVOTPGIIHMMT-VXGBXAGGSA-N 1 0 284.360 1.567 20 5 CDBDRO CCc1nn(C)c(N[C@@H]2CCC[N@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000343604888 152240623 /nfs/dbraw/zinc/24/06/23/152240623.db2.gz NYINBAOQLJUXJO-MWLCHTKSSA-N 1 0 281.360 1.785 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000346149691 153072318 /nfs/dbraw/zinc/07/23/18/153072318.db2.gz YAMVINXWDVTHJT-MRVPVSSYSA-N 1 0 269.276 1.414 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000412104861 292296533 /nfs/dbraw/zinc/29/65/33/292296533.db2.gz OHKUOVSQQIKPEC-ZOWXZIJZSA-N 1 0 294.351 1.639 20 5 CDBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000349457380 154119155 /nfs/dbraw/zinc/11/91/55/154119155.db2.gz CKCSPYMLXZELJU-UHFFFAOYSA-N 1 0 294.355 1.871 20 5 CDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000353995272 156210823 /nfs/dbraw/zinc/21/08/23/156210823.db2.gz HCQOOEMTUMBDFD-GFCCVEGCSA-N 1 0 291.351 1.690 20 5 CDBDRO CCO[C@H]1COCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000362015803 159039692 /nfs/dbraw/zinc/03/96/92/159039692.db2.gz OUMPYWYVYJXEQT-CABCVRRESA-N 1 0 294.351 1.921 20 5 CDBDRO O=[N+]([O-])c1cccc(CN2CC[C@H](n3cncn3)C2)c1 ZINC000372481164 160124656 /nfs/dbraw/zinc/12/46/56/160124656.db2.gz KAGZPNOVSZLCIN-ZDUSSCGKSA-N 1 0 273.296 1.633 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc([N+](=O)[O-])c1 ZINC000373051629 160168471 /nfs/dbraw/zinc/16/84/71/160168471.db2.gz KUMPTNDYOHQSCX-FZMZJTMJSA-N 1 0 289.335 1.727 20 5 CDBDRO C[C@H]([NH2+]CC1(C)COC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284257862 196015303 /nfs/dbraw/zinc/01/53/03/196015303.db2.gz WBOZHZHJXAVHBR-VIFPVBQESA-N 1 0 265.313 1.864 20 5 CDBDRO Cc1c(C(=O)N(C)C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000036283218 172576464 /nfs/dbraw/zinc/57/64/64/172576464.db2.gz DHQQQTMPWUHHRO-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO COC(=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000036804382 172722101 /nfs/dbraw/zinc/72/21/01/172722101.db2.gz YXXAYURBRIKNHL-VIFPVBQESA-N 1 0 252.270 1.809 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000040596191 174348934 /nfs/dbraw/zinc/34/89/34/174348934.db2.gz DDIQDFOHUBKYIS-GFCCVEGCSA-N 1 0 291.351 1.975 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000044491940 175181125 /nfs/dbraw/zinc/18/11/25/175181125.db2.gz INVLCODPDSJYPA-NSHDSACASA-N 1 0 277.324 1.775 20 5 CDBDRO O=C(NCC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])s1 ZINC000044503657 175186721 /nfs/dbraw/zinc/18/67/21/175186721.db2.gz NOENSYLLRVZEAS-UHFFFAOYSA-N 1 0 269.326 1.386 20 5 CDBDRO C[NH+]1CCC(CNc2ncccc2[N+](=O)[O-])CC1 ZINC000044526250 175191329 /nfs/dbraw/zinc/19/13/29/175191329.db2.gz QOSYWIYEHNITPW-UHFFFAOYSA-N 1 0 250.302 1.744 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000044685248 175230743 /nfs/dbraw/zinc/23/07/43/175230743.db2.gz FVAWSVFBTVLLOU-GFCCVEGCSA-N 1 0 261.325 1.921 20 5 CDBDRO Cc1ccnc(NC[C@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC000070496556 175957490 /nfs/dbraw/zinc/95/74/90/175957490.db2.gz BBYPTXXBZVUUSN-SNVBAGLBSA-N 1 0 250.302 1.852 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000071143833 176041196 /nfs/dbraw/zinc/04/11/96/176041196.db2.gz RXCBOIMOWBJJCS-URWSZGRFSA-N 1 0 289.335 1.676 20 5 CDBDRO CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000071310166 176117128 /nfs/dbraw/zinc/11/71/28/176117128.db2.gz DALVZMSWEQLEHL-NNNHXZLVSA-N 1 0 275.308 1.428 20 5 CDBDRO CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000071312584 176119269 /nfs/dbraw/zinc/11/92/69/176119269.db2.gz KZXWZTJCOOPRCR-LLVKDONJSA-N 1 0 293.323 1.427 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000313266682 260273951 /nfs/dbraw/zinc/27/39/51/260273951.db2.gz IRBXMPCMMMHUQO-PIZKADEWSA-N 1 0 289.335 1.818 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000313309934 260282074 /nfs/dbraw/zinc/28/20/74/260282074.db2.gz BTHXYEOMFFYDET-PBWNMSGQSA-N 1 0 289.335 1.804 20 5 CDBDRO CNc1ccc(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000517932940 260320172 /nfs/dbraw/zinc/32/01/72/260320172.db2.gz XWAWUUZDLSYBHB-ZJUUUORDSA-N 1 0 292.339 1.459 20 5 CDBDRO CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@H](C[NH3+])C1CC1 ZINC000313483634 270325271 /nfs/dbraw/zinc/32/52/71/270325271.db2.gz OYRBDGZWTRQIHI-RXTQTKKPSA-N 1 0 289.335 1.804 20 5 CDBDRO Cc1cc(C(=O)NC(C)(C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000397167829 270346801 /nfs/dbraw/zinc/34/68/01/270346801.db2.gz CSVTYTZNBUDFMU-UHFFFAOYSA-N 1 0 265.313 1.760 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000397790612 270350860 /nfs/dbraw/zinc/35/08/60/270350860.db2.gz RTEKKCJMVDMOGD-UHFFFAOYSA-N 1 0 278.312 1.001 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000268139023 274344503 /nfs/dbraw/zinc/34/45/03/274344503.db2.gz KAXCTVQOXIAYDG-MWLCHTKSSA-N 1 0 262.313 1.884 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000274014529 274344513 /nfs/dbraw/zinc/34/45/13/274344513.db2.gz VJBTVFZJERLWKW-LDYMZIIASA-N 1 0 263.301 1.279 20 5 CDBDRO C[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](C)[NH+]1C ZINC000338789537 274362822 /nfs/dbraw/zinc/36/28/22/274362822.db2.gz XJGKJVVUDJGMPL-NXEZZACHSA-N 1 0 292.339 1.223 20 5 CDBDRO CC(C)[C@@H]1CN(c2ccncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000340882332 276000115 /nfs/dbraw/zinc/00/01/15/276000115.db2.gz VFPCISIUMCXKRL-ZDUSSCGKSA-N 1 0 264.329 1.766 20 5 CDBDRO C[NH2+][C@H]1CCCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000070496588 277300417 /nfs/dbraw/zinc/30/04/17/277300417.db2.gz LQUDMTCOBFAMOK-JTQLQIEISA-N 1 0 250.302 1.486 20 5 CDBDRO COc1cc(N(C)[C@@H]2CC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000227860168 277824310 /nfs/dbraw/zinc/82/43/10/277824310.db2.gz PISONYXVCDWSIT-MRVPVSSYSA-N 1 0 269.276 1.541 20 5 CDBDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449180552 278056614 /nfs/dbraw/zinc/05/66/14/278056614.db2.gz ADSVJRMWCFPFTK-FZMZJTMJSA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@@H]([NH3+])CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000178657121 278306429 /nfs/dbraw/zinc/30/64/29/278306429.db2.gz YBDYYHQROTYYMS-MRVPVSSYSA-N 1 0 285.731 1.644 20 5 CDBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000341702440 288081590 /nfs/dbraw/zinc/08/15/90/288081590.db2.gz XDLXDPKQLCCHSH-YPMHNXCESA-N 1 0 291.351 1.751 20 5 CDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000287396791 280115379 /nfs/dbraw/zinc/11/53/79/280115379.db2.gz YORQJWBPPHZRNF-WDEREUQCSA-N 1 0 293.323 1.887 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000237629243 280182847 /nfs/dbraw/zinc/18/28/47/280182847.db2.gz HHNUOUMUPLGYFD-VQCYPWCPSA-N 1 0 263.297 1.414 20 5 CDBDRO Cc1c(C(=O)N2CC([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000158258717 280204537 /nfs/dbraw/zinc/20/45/37/280204537.db2.gz FTAGWMWILRZFGS-UHFFFAOYSA-N 1 0 263.297 1.289 20 5 CDBDRO Cc1cc(C(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000262804370 280331755 /nfs/dbraw/zinc/33/17/55/280331755.db2.gz PVQZBVWYVLJBOW-GHMZBOCLSA-N 1 0 277.324 1.726 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094342418 280665310 /nfs/dbraw/zinc/66/53/10/280665310.db2.gz HJZJXBJYKTXORU-KOLCDFICSA-N 1 0 250.302 1.472 20 5 CDBDRO CC[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000531709953 281823255 /nfs/dbraw/zinc/82/32/55/281823255.db2.gz FGXUTRZHGJEITO-GFCCVEGCSA-N 1 0 265.313 1.551 20 5 CDBDRO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000261613661 288981278 /nfs/dbraw/zinc/98/12/78/288981278.db2.gz SVGGQDLNEVIWHT-APPZFPTMSA-N 1 0 283.715 1.810 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000254950962 289347011 /nfs/dbraw/zinc/34/70/11/289347011.db2.gz DPKUULZSYCKDTK-CYZFJHGLSA-N 1 0 289.335 1.994 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000186837460 290602815 /nfs/dbraw/zinc/60/28/15/290602815.db2.gz JZNBVATYURWGEW-GXSJLCMTSA-N 1 0 263.297 1.323 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H]1CC[NH2+]C1 ZINC000568394928 294027899 /nfs/dbraw/zinc/02/78/99/294027899.db2.gz BZJZAANZUZCVKW-LBPRGKRZSA-N 1 0 292.339 1.135 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)n1 ZINC000574914383 295076349 /nfs/dbraw/zinc/07/63/49/295076349.db2.gz MKNJMAHHTPXZHW-QWHCGFSZSA-N 1 0 294.355 1.682 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000422814883 295362773 /nfs/dbraw/zinc/36/27/73/295362773.db2.gz WINYGXWSXQNLPL-JTQLQIEISA-N 1 0 292.339 1.297 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000577370065 317316041 /nfs/dbraw/zinc/31/60/41/317316041.db2.gz UUQDLCKDAQTKSQ-JOYOIKCWSA-N 1 0 293.323 1.218 20 5 CDBDRO COC[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccco1 ZINC000184531772 323365096 /nfs/dbraw/zinc/36/50/96/323365096.db2.gz RBFNLBCHAOWRPX-JTQLQIEISA-N 1 0 280.284 1.362 20 5 CDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ncc([N+](=O)[O-])c(C)n1 ZINC000578843845 324035485 /nfs/dbraw/zinc/03/54/85/324035485.db2.gz UMXOXMMXABTFBD-NEPJUHHUSA-N 1 0 291.355 1.756 20 5 CDBDRO CO[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000579672022 324247199 /nfs/dbraw/zinc/24/71/99/324247199.db2.gz QZAXRXJQPRVSLV-UTUOFQBUSA-N 1 0 282.344 1.900 20 5 CDBDRO C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000581245702 324689932 /nfs/dbraw/zinc/68/99/32/324689932.db2.gz QBGDEXCXVORCTF-FZMZJTMJSA-N 1 0 279.340 1.704 20 5 CDBDRO CC(C)Oc1nc(NC[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000582976348 325083588 /nfs/dbraw/zinc/08/35/88/325083588.db2.gz WHHYVBPTUVSUCE-NSHDSACASA-N 1 0 296.371 1.809 20 5 CDBDRO Cc1c([N+](=O)[O-])ccc(=O)n1CCC1CC[NH2+]CC1 ZINC000583141099 325114240 /nfs/dbraw/zinc/11/42/40/325114240.db2.gz WJEDYPFDBYALRP-UHFFFAOYSA-N 1 0 265.313 1.455 20 5 CDBDRO CC(C)(CCC[NH3+])NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293761120 482850471 /nfs/dbraw/zinc/85/04/71/482850471.db2.gz XNTPTAODICEBAD-UHFFFAOYSA-N 1 0 280.328 1.424 20 5 CDBDRO Cc1c(CNC(=O)N2CC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000418085128 533856178 /nfs/dbraw/zinc/85/61/78/533856178.db2.gz XCTMJJYXIMLJBS-LLVKDONJSA-N 1 0 292.339 1.393 20 5 CDBDRO NC(=O)C1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCCCC1 ZINC001168967573 1161996429 /nfs/dbraw/zinc/99/64/29/1161996429.db2.gz QYKLSYULCLZQRJ-NEPJUHHUSA-N 1 0 283.372 1.600 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000236820835 519916166 /nfs/dbraw/zinc/91/61/66/519916166.db2.gz OSVSFQRXFSEQNV-UHFFFAOYSA-N 1 0 281.312 1.333 20 5 CDBDRO C[NH2+][C@@H](C)CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000261591328 536344796 /nfs/dbraw/zinc/34/47/96/536344796.db2.gz XPTXVQHKMINJIO-LURJTMIESA-N 1 0 267.314 1.619 20 5 CDBDRO COc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000234912451 522095163 /nfs/dbraw/zinc/09/51/63/522095163.db2.gz WFNRZDNYVBOFPE-SCZZXKLOSA-N 1 0 279.296 1.023 20 5 CDBDRO COC[C@H](O)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000338479874 522800175 /nfs/dbraw/zinc/80/01/75/522800175.db2.gz YNXZAHNUPRSIPL-JBNJFFQFSA-N 1 0 280.324 1.595 20 5 CDBDRO COC[C@H](O)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000338479877 522800387 /nfs/dbraw/zinc/80/03/87/522800387.db2.gz YNXZAHNUPRSIPL-RQWJFSOLSA-N 1 0 280.324 1.595 20 5 CDBDRO CN(C)C(=O)C[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055899516 523985464 /nfs/dbraw/zinc/98/54/64/523985464.db2.gz ITSFESJSGBLFNL-UHFFFAOYSA-N 1 0 295.339 1.384 20 5 CDBDRO C[C@@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000070176806 524195726 /nfs/dbraw/zinc/19/57/26/524195726.db2.gz KEBJDERYMHDYEC-BXUZGUMPSA-N 1 0 291.351 1.723 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000071301660 524578289 /nfs/dbraw/zinc/57/82/89/524578289.db2.gz AJPXZONVCBVAJE-CYBMUJFWSA-N 1 0 250.298 1.764 20 5 CDBDRO C[C@]1(CNc2ncc([N+](=O)[O-])s2)CCC[NH2+]C1 ZINC000226783961 525273738 /nfs/dbraw/zinc/27/37/38/525273738.db2.gz HWNWNMIDTDDOTI-JTQLQIEISA-N 1 0 256.331 1.853 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000163506288 526257842 /nfs/dbraw/zinc/25/78/42/526257842.db2.gz CJHXRHNWPGCPDA-DGCLKSJQSA-N 1 0 291.351 1.960 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000050246195 527216177 /nfs/dbraw/zinc/21/61/77/527216177.db2.gz IXYQJDADBYWSQD-QMMMGPOBSA-N 1 0 283.715 1.669 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000263976421 535177045 /nfs/dbraw/zinc/17/70/45/535177045.db2.gz YHZGZTSJULEWLI-SNVBAGLBSA-N 1 0 294.359 1.499 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000269254108 535212337 /nfs/dbraw/zinc/21/23/37/535212337.db2.gz HDNNNQORFAPHEE-LBPRGKRZSA-N 1 0 281.312 1.073 20 5 CDBDRO CC[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000268735265 535413193 /nfs/dbraw/zinc/41/31/93/535413193.db2.gz NHEQZHXYEWLVMP-LBPRGKRZSA-N 1 0 294.355 1.463 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH3+])C2CC2)c1 ZINC000422857047 535428750 /nfs/dbraw/zinc/42/87/50/535428750.db2.gz GNHFCIDZJUMPDE-LBPRGKRZSA-N 1 0 293.323 1.461 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417147015 535514107 /nfs/dbraw/zinc/51/41/07/535514107.db2.gz YXDOMENULGHGMX-GHMZBOCLSA-N 1 0 294.355 1.953 20 5 CDBDRO CC[NH+](CC)[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176285288 535679534 /nfs/dbraw/zinc/67/95/34/535679534.db2.gz FBRCTLMXUVUXCV-LBPRGKRZSA-N 1 0 281.360 1.207 20 5 CDBDRO CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000179097260 536001968 /nfs/dbraw/zinc/00/19/68/536001968.db2.gz BPIDTJIFRKIHTO-LLVKDONJSA-N 1 0 295.364 1.507 20 5 CDBDRO COC[C@]1(CNc2cc(C)c([N+](=O)[O-])cn2)CCC[NH2+]1 ZINC000261708279 536687241 /nfs/dbraw/zinc/68/72/41/536687241.db2.gz JDFVQUMGYGNCNX-CYBMUJFWSA-N 1 0 280.328 1.479 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000269210633 536950045 /nfs/dbraw/zinc/95/00/45/536950045.db2.gz NQFALVLSZNJDTD-BXKDBHETSA-N 1 0 293.323 1.413 20 5 CDBDRO COc1ccc(OCC[NH2+][C@@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC000771802028 575614015 /nfs/dbraw/zinc/61/40/15/575614015.db2.gz KLQYJCBVCRDFSC-LBPRGKRZSA-N 1 0 296.323 1.343 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CC(C(F)F)C2)c1 ZINC000768708489 576304128 /nfs/dbraw/zinc/30/41/28/576304128.db2.gz YSHALFBDMZWJNZ-UHFFFAOYSA-N 1 0 260.244 1.425 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C)[C@@H](C)C1 ZINC000761078528 576544280 /nfs/dbraw/zinc/54/42/80/576544280.db2.gz XCMCSMQTSXFAFX-NSHDSACASA-N 1 0 279.340 1.739 20 5 CDBDRO C[C@@H]1CCC[N@@H+]1CCNc1c([N+](=O)[O-])ncn1C ZINC000742427287 576602470 /nfs/dbraw/zinc/60/24/70/576602470.db2.gz HDUUDQZBOSKIFF-SECBINFHSA-N 1 0 253.306 1.225 20 5 CDBDRO CC[NH+](CC)CCn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1 ZINC000762479164 576647526 /nfs/dbraw/zinc/64/75/26/576647526.db2.gz KRGPDMGEFCZSJH-UHFFFAOYSA-N 1 0 284.272 1.007 20 5 CDBDRO C[C@H]([NH2+][C@H](CO)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000763069018 576708177 /nfs/dbraw/zinc/70/81/77/576708177.db2.gz NZCCAQSQSABUSO-JOYOIKCWSA-N 1 0 293.323 1.282 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCn2ccnc2)c1 ZINC000749647537 576956603 /nfs/dbraw/zinc/95/66/03/576956603.db2.gz NRSQJZXDAWJTKK-AWEZNQCLSA-N 1 0 290.323 1.505 20 5 CDBDRO Cc1n[nH]c(C(=O)NC[C@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000749734197 576960014 /nfs/dbraw/zinc/96/00/14/576960014.db2.gz FXVKNRGPXWTJNY-VIFPVBQESA-N 1 0 295.343 1.231 20 5 CDBDRO COc1c(O)ccc(C[NH2+]C[C@]2(C)CCCO2)c1[N+](=O)[O-] ZINC000893148201 617411516 /nfs/dbraw/zinc/41/15/16/617411516.db2.gz MSPUOPVODNRAFR-AWEZNQCLSA-N 1 0 296.323 1.968 20 5 CDBDRO C[C@@H](CCNc1ccc(N)cc1[N+](=O)[O-])[NH+](C)C ZINC000853799377 617457736 /nfs/dbraw/zinc/45/77/36/617457736.db2.gz OYDOBWKYAIINFE-VIFPVBQESA-N 1 0 252.318 1.929 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000932180900 617976520 /nfs/dbraw/zinc/97/65/20/617976520.db2.gz DSTDWFOQPYUMOM-BXUZGUMPSA-N 1 0 290.323 1.503 20 5 CDBDRO [NH3+]CCc1noc(CCc2cccc([N+](=O)[O-])c2)n1 ZINC000843129302 618693628 /nfs/dbraw/zinc/69/36/28/618693628.db2.gz UJCUIOXSBNCMSW-UHFFFAOYSA-N 1 0 262.269 1.264 20 5 CDBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000894780536 619057113 /nfs/dbraw/zinc/05/71/13/619057113.db2.gz FHWDXNHRVNIYRD-KCJUWKMLSA-N 1 0 297.742 1.992 20 5 CDBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cnn(C)n1 ZINC000925155305 620500619 /nfs/dbraw/zinc/50/06/19/620500619.db2.gz VBCHKPNZJROURR-JTQLQIEISA-N 1 0 275.312 1.617 20 5 CDBDRO CN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1C[NH2+]C1 ZINC000841011619 620944428 /nfs/dbraw/zinc/94/44/28/620944428.db2.gz SORMZAUTRRAYQW-UHFFFAOYSA-N 1 0 284.703 1.684 20 5 CDBDRO C[C@H](C[NH2+]CC[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000899867443 622492823 /nfs/dbraw/zinc/49/28/23/622492823.db2.gz WORKUQLLDIZBKC-GFCCVEGCSA-N 1 0 263.341 1.300 20 5 CDBDRO [NH3+][C@]1(CO)CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000904402878 626281655 /nfs/dbraw/zinc/28/16/55/626281655.db2.gz VLMFWAKTGLEDKE-CYBMUJFWSA-N 1 0 299.758 1.534 20 5 CDBDRO [NH3+]C1(CNCc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000904448644 626300001 /nfs/dbraw/zinc/30/00/01/626300001.db2.gz BAIFKRWXBSVFLL-UHFFFAOYSA-N 1 0 255.705 1.829 20 5 CDBDRO CCN(CC[NH2+]CC[N+](=O)[O-])c1ccccc1C ZINC000905044167 626383251 /nfs/dbraw/zinc/38/32/51/626383251.db2.gz AXQCNFMCPVGCDV-UHFFFAOYSA-N 1 0 251.330 1.688 20 5 CDBDRO CC(C)C(=O)Nc1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905029888 626391474 /nfs/dbraw/zinc/39/14/74/626391474.db2.gz DDFCIBKPPJHYJA-UHFFFAOYSA-N 1 0 265.313 1.647 20 5 CDBDRO Cc1ccc([C@H](C[NH2+]CC[N+](=O)[O-])N2CCCC2)o1 ZINC000905089163 626605060 /nfs/dbraw/zinc/60/50/60/626605060.db2.gz MCJBCZFYFVOHFX-LBPRGKRZSA-N 1 0 267.329 1.591 20 5 CDBDRO C[C@H]([NH2+]C(C)(C)CNCC[N+](=O)[O-])c1ccccc1 ZINC000905098529 626619377 /nfs/dbraw/zinc/61/93/77/626619377.db2.gz UHUXGISNUBAZLS-LBPRGKRZSA-N 1 0 265.357 1.982 20 5 CDBDRO C[C@@H](O)C[C@@H](C[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000905158889 626641980 /nfs/dbraw/zinc/64/19/80/626641980.db2.gz LIVRKHFHZCACPU-YPMHNXCESA-N 1 0 252.314 1.407 20 5 CDBDRO COc1ccc(C[C@H](C)C[NH2+]CC[N+](=O)[O-])cc1OC ZINC000905187484 626667524 /nfs/dbraw/zinc/66/75/24/626667524.db2.gz CMASVXNBCRNNEW-NSHDSACASA-N 1 0 282.340 1.749 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2C=CCC2)c1 ZINC000905417239 626805719 /nfs/dbraw/zinc/80/57/19/626805719.db2.gz KDQPIKBSOALPHM-GXTWGEPZSA-N 1 0 292.335 1.890 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1C=CCC1 ZINC000905418685 626806254 /nfs/dbraw/zinc/80/62/54/626806254.db2.gz SBKCPSVQTJACFA-OLZOCXBDSA-N 1 0 292.335 1.890 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000911622289 629368709 /nfs/dbraw/zinc/36/87/09/629368709.db2.gz DRCOGYWMRGYISF-KWCYVHTRSA-N 1 0 289.335 1.648 20 5 CDBDRO CSCC[C@H]([NH3+])CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000912261317 629874835 /nfs/dbraw/zinc/87/48/35/629874835.db2.gz DPIXBKKLLBTYPC-NSHDSACASA-N 1 0 297.380 1.682 20 5 CDBDRO C[NH2+]CCNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000876521517 630406372 /nfs/dbraw/zinc/40/63/72/630406372.db2.gz PUFDXKDWMVFQQX-UHFFFAOYSA-N 1 0 251.286 1.161 20 5 CDBDRO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CC[N+](=O)[O-] ZINC000929823644 631453281 /nfs/dbraw/zinc/45/32/81/631453281.db2.gz SUXQLBQQEIIVQS-CYBMUJFWSA-N 1 0 263.341 1.994 20 5 CDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000915624571 631779893 /nfs/dbraw/zinc/77/98/93/631779893.db2.gz MJSJVISZUWHBFZ-LLVKDONJSA-N 1 0 282.344 1.249 20 5 CDBDRO C[N@@H+]1CC[C@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000921681491 633161974 /nfs/dbraw/zinc/16/19/74/633161974.db2.gz XDMMSXKCNDKYSL-ZDUSSCGKSA-N 1 0 292.339 1.141 20 5 CDBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc([N+](=O)[O-])cn2)O1 ZINC001170270673 1162322441 /nfs/dbraw/zinc/32/24/41/1162322441.db2.gz NKDCMMRMHVEWGW-NQBHXWOUSA-N 1 0 296.327 1.127 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]CC(OC)OC)c([N+](=O)[O-])c1 ZINC001170306253 1162327984 /nfs/dbraw/zinc/32/79/84/1162327984.db2.gz TZBIXWIVKMSQAQ-JTQLQIEISA-N 1 0 298.339 1.743 20 5 CDBDRO COc1ccc(C[C@H](C)N2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001170310993 1162333933 /nfs/dbraw/zinc/33/39/33/1162333933.db2.gz YAPMBTOYDQHTSY-WCQYABFASA-N 1 0 293.367 1.958 20 5 CDBDRO [NH3+]C[C@@]1(F)CCN(c2cnc3cc([N+](=O)[O-])ccc3n2)C1 ZINC001157813650 1162444798 /nfs/dbraw/zinc/44/47/98/1162444798.db2.gz TUFNQMFVXFHSSS-ZDUSSCGKSA-N 1 0 291.286 1.415 20 5 CDBDRO CN(CC[NH3+])CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001170503017 1162662710 /nfs/dbraw/zinc/66/27/10/1162662710.db2.gz ZWZKBHTWARRCMB-UHFFFAOYSA-N 1 0 289.339 1.445 20 5 CDBDRO COc1ccc(NC2(C)CC[NH2+]CC2)nc1[N+](=O)[O-] ZINC001168181921 1160522225 /nfs/dbraw/zinc/52/22/25/1160522225.db2.gz FXOPAXSHOLXGPE-UHFFFAOYSA-N 1 0 266.301 1.552 20 5 CDBDRO O=C(NC[C@H]1CCCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC001122304578 1161134758 /nfs/dbraw/zinc/13/47/58/1161134758.db2.gz MTFPPWZVYNIYNR-GFCCVEGCSA-N 1 0 277.324 1.857 20 5 CDBDRO Cc1nccnc1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168998450 1161997175 /nfs/dbraw/zinc/99/71/75/1161997175.db2.gz NCTYOEFTHRVGIY-WDEREUQCSA-N 1 0 250.302 1.320 20 5 CDBDRO Nc1ccnc(NCC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC001169564840 1162012133 /nfs/dbraw/zinc/01/21/33/1162012133.db2.gz WQGIEXZAGPBCMS-MRVPVSSYSA-N 1 0 251.290 1.126 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)c(Cl)c1 ZINC001155636111 1167271826 /nfs/dbraw/zinc/27/18/26/1167271826.db2.gz NGOZXAQHONRZRP-UTLUCORTSA-N 1 0 284.703 1.184 20 5 CDBDRO CN(C[C@H]1CC[NH2+]1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001578454035 1171919731 /nfs/dbraw/zinc/91/97/31/1171919731.db2.gz SCFDQBIPFGDWJN-DJFZKKHWSA-N 1 0 275.308 1.428 20 5 CDBDRO C[C@@H]([NH3+])CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC001579400925 1172168986 /nfs/dbraw/zinc/16/89/86/1172168986.db2.gz AHYRHKGENJACNZ-ZCFIWIBFSA-N 1 0 289.694 1.741 20 5 CDBDRO O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)[C@@H]1CC12C[NH2+]C2 ZINC001580712453 1172520260 /nfs/dbraw/zinc/52/02/60/1172520260.db2.gz YHVDPHQHSAYPSD-QMMMGPOBSA-N 1 0 297.261 1.099 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2ncn(C[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000122451617 1175240754 /nfs/dbraw/zinc/24/07/54/1175240754.db2.gz BVQJGKCYTRKZTM-LLVKDONJSA-N 1 0 287.323 1.853 20 5 CDBDRO CN(CCC[NH+](C)C)c1nc(Cl)ncc1[N+](=O)[O-] ZINC000234246009 1178215179 /nfs/dbraw/zinc/21/51/79/1178215179.db2.gz VUWHDICZKXRANG-UHFFFAOYSA-N 1 0 273.724 1.426 20 5 CDBDRO Cc1nc(Cl)nc(N[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000235452070 1178238623 /nfs/dbraw/zinc/23/86/23/1178238623.db2.gz SKMBMNFBHYSMKN-ZCFIWIBFSA-N 1 0 273.724 1.709 20 5 CDBDRO CCOc1nc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001164640287 719222924 /nfs/dbraw/zinc/22/29/24/719222924.db2.gz SDXLICSRGKCTRO-GHMZBOCLSA-N 1 0 294.355 1.917 20 5 CDBDRO Cc1ccnc(N[C@H]2COCCC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001155460975 1167179308 /nfs/dbraw/zinc/17/93/08/1167179308.db2.gz GBCDSGCYPJOEAT-JTQLQIEISA-N 1 0 278.312 1.089 20 5 CDBDRO Cc1cc(NCC[N@H+](C)CCO)ccc1[N+](=O)[O-] ZINC000884824023 837483863 /nfs/dbraw/zinc/48/38/63/837483863.db2.gz NYZFYIDUMFSZRN-UHFFFAOYSA-N 1 0 253.302 1.239 20 5 CDBDRO O=[N+]([O-])c1ccccc1-c1nc(N2CC[NH2+]CC2)no1 ZINC000312794426 837569864 /nfs/dbraw/zinc/56/98/64/837569864.db2.gz HUQNPWAAAZRLDQ-UHFFFAOYSA-N 1 0 275.268 1.054 20 5 CDBDRO [NH3+][C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000129341523 837799111 /nfs/dbraw/zinc/79/91/11/837799111.db2.gz DNPDISXQKNJNAZ-QMMMGPOBSA-N 1 0 256.693 1.792 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701039435 837825084 /nfs/dbraw/zinc/82/50/84/837825084.db2.gz FNONQZAVSKRPOY-ZETCQYMHSA-N 1 0 271.704 1.573 20 5 CDBDRO C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000886841171 835756280 /nfs/dbraw/zinc/75/62/80/835756280.db2.gz DLPUVMAHELPALX-MWLCHTKSSA-N 1 0 250.302 1.016 20 5 CDBDRO CC(C)(CCC(=O)N1CCC[C@H]1C[NH+]1CCCC1)[N+](=O)[O-] ZINC000822878917 835837141 /nfs/dbraw/zinc/83/71/41/835837141.db2.gz OFBDOIQITUNXFD-ZDUSSCGKSA-N 1 0 297.399 1.909 20 5 CDBDRO C[C@@H]1COCC[C@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819306934 835842869 /nfs/dbraw/zinc/84/28/69/835842869.db2.gz ZULDKGZSONNDAS-ZLDLUXBVSA-N 1 0 294.351 1.890 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000845733890 835872189 /nfs/dbraw/zinc/87/21/89/835872189.db2.gz FMTNXSJFRUSDPR-JTQLQIEISA-N 1 0 296.327 1.207 20 5 CDBDRO O=[N+]([O-])CC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000930299094 835978850 /nfs/dbraw/zinc/97/88/50/835978850.db2.gz BCCHSKAEWUPDGL-UPJWGTAASA-N 1 0 256.346 1.669 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](C)[NH2+]C1CC1)CC2 ZINC000843495478 836069228 /nfs/dbraw/zinc/06/92/28/836069228.db2.gz SNYREZMWNJTPNR-JTQLQIEISA-N 1 0 289.335 1.933 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C1CC[NH2+]CC1)CC2 ZINC000843495861 836088116 /nfs/dbraw/zinc/08/81/16/836088116.db2.gz WXUDLVGWWIATSH-UHFFFAOYSA-N 1 0 289.335 1.792 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000219563392 836160084 /nfs/dbraw/zinc/16/00/84/836160084.db2.gz HEFCRHHCAOHTAP-SWLSCSKDSA-N 1 0 295.383 1.948 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CCC12CCOCC2 ZINC000886173707 836214150 /nfs/dbraw/zinc/21/41/50/836214150.db2.gz XHHBXCOQEVFUKO-UHFFFAOYSA-N 1 0 263.297 1.745 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882171901 836256141 /nfs/dbraw/zinc/25/61/41/836256141.db2.gz OPFDQWDDNVWEKX-SECBINFHSA-N 1 0 268.292 1.517 20 5 CDBDRO COC[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000793323977 836277435 /nfs/dbraw/zinc/27/74/35/836277435.db2.gz GTGQXFGNIQUZRE-VIFPVBQESA-N 1 0 274.704 1.345 20 5 CDBDRO CSc1ccc(C(=O)NCC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000261961944 836313753 /nfs/dbraw/zinc/31/37/53/836313753.db2.gz SAPBPOZKLYBXCS-UHFFFAOYSA-N 1 0 281.337 1.266 20 5 CDBDRO O=C(NCC1C[NH2+]C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000704329656 836335104 /nfs/dbraw/zinc/33/51/04/836335104.db2.gz FFCJDLBJFGKTHU-UHFFFAOYSA-N 1 0 269.688 1.197 20 5 CDBDRO CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001045437111 836698598 /nfs/dbraw/zinc/69/85/98/836698598.db2.gz DSPCGSSWVBZCRY-GHMZBOCLSA-N 1 0 269.345 1.032 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CCn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829838389 836720093 /nfs/dbraw/zinc/72/00/93/836720093.db2.gz WVCNOYJTDBXQOT-MRVPVSSYSA-N 1 0 269.261 1.184 20 5 CDBDRO C[C@H]([NH2+]CCN1CCCC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846206332 836720905 /nfs/dbraw/zinc/72/09/05/836720905.db2.gz PQDCHWCKLGGIFM-JTQLQIEISA-N 1 0 292.339 1.450 20 5 CDBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cccnc1[N+](=O)[O-])C2 ZINC000886221091 836768347 /nfs/dbraw/zinc/76/83/47/836768347.db2.gz SPMVIFHKTJJXOE-OAHLLOKOSA-N 1 0 290.367 1.908 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000235638868 836910913 /nfs/dbraw/zinc/91/09/13/836910913.db2.gz RLOCATOVDONXCI-UWVGGRQHSA-N 1 0 263.297 1.322 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000882492445 837064417 /nfs/dbraw/zinc/06/44/17/837064417.db2.gz SIOSKJGCCRFIRN-JTQLQIEISA-N 1 0 293.323 1.427 20 5 CDBDRO C/C=C/C[C@H](CO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843077928 837101674 /nfs/dbraw/zinc/10/16/74/837101674.db2.gz QJXTXPGCTXKEGO-SDEBIZQBSA-N 1 0 280.324 1.545 20 5 CDBDRO CN(CC[NH3+])CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842478955 837215978 /nfs/dbraw/zinc/21/59/78/837215978.db2.gz MRCUCHWBWAISON-UHFFFAOYSA-N 1 0 286.719 1.077 20 5 CDBDRO C[N@@H+]1CC[C@@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000712549183 837339959 /nfs/dbraw/zinc/33/99/59/837339959.db2.gz QDKFAKIIHFKCKX-SSDOTTSWSA-N 1 0 279.325 1.716 20 5 CDBDRO C[N@@H+]1CC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000928564010 837345913 /nfs/dbraw/zinc/34/59/13/837345913.db2.gz SSNGFOIVZBTNJC-NSHDSACASA-N 1 0 297.742 1.611 20 5 CDBDRO Cc1cc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)ncn1 ZINC000819190046 837349960 /nfs/dbraw/zinc/34/99/60/837349960.db2.gz ZCTRGJWMRPIELJ-CQSZACIVSA-N 1 0 288.307 1.516 20 5 CDBDRO O=C(NC1C[NH+](CC2CCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001030294044 837353580 /nfs/dbraw/zinc/35/35/80/837353580.db2.gz VIPDQBVHBMSKQK-CHWSQXEVSA-N 1 0 281.356 1.032 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@]1(F)CC[NH2+]C1)CC2 ZINC000843492966 838832302 /nfs/dbraw/zinc/83/23/02/838832302.db2.gz AXOYUGGYZYMZID-CQSZACIVSA-N 1 0 293.298 1.494 20 5 CDBDRO CC(C)(CCC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[N+](=O)[O-] ZINC000847257749 838985037 /nfs/dbraw/zinc/98/50/37/838985037.db2.gz ZBICPNLGXSOHMV-CHWSQXEVSA-N 1 0 297.399 1.955 20 5 CDBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886172980 839023380 /nfs/dbraw/zinc/02/33/80/839023380.db2.gz BHRQOAVAWRXWEH-JTQLQIEISA-N 1 0 253.302 1.486 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC000776270203 839119970 /nfs/dbraw/zinc/11/99/70/839119970.db2.gz APKJHXDAGFOXLL-OLZOCXBDSA-N 1 0 266.297 1.085 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]([NH3+])C1 ZINC000020019795 839643888 /nfs/dbraw/zinc/64/38/88/839643888.db2.gz FHXUBOQDUNLTND-JTQLQIEISA-N 1 0 299.352 1.015 20 5 CDBDRO [NH3+][C@H](CC(=O)NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000137391329 840017042 /nfs/dbraw/zinc/01/70/42/840017042.db2.gz QOOCBHNVCUGYDD-GFCCVEGCSA-N 1 0 263.297 1.338 20 5 CDBDRO O=[N+]([O-])c1ccccc1Cc1noc([C@@H]2C[NH2+]CCO2)n1 ZINC000843171195 840089513 /nfs/dbraw/zinc/08/95/13/840089513.db2.gz ULSGDVJMPKRYNA-NSHDSACASA-N 1 0 290.279 1.230 20 5 CDBDRO Cc1c(C(=O)N(C)CCC[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818522275 840222130 /nfs/dbraw/zinc/22/21/30/840222130.db2.gz FMHXCCCWQUNGGH-UHFFFAOYSA-N 1 0 296.283 1.232 20 5 CDBDRO Cn1cnc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000808387424 840320766 /nfs/dbraw/zinc/32/07/66/840320766.db2.gz PGARFVIVJACTSA-CYBMUJFWSA-N 1 0 276.296 1.152 20 5 CDBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000825670869 840349414 /nfs/dbraw/zinc/34/94/14/840349414.db2.gz YQLIFHAFSGDKSY-LBPRGKRZSA-N 1 0 285.388 1.811 20 5 CDBDRO CSC[C@@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932177381 840395762 /nfs/dbraw/zinc/39/57/62/840395762.db2.gz ONAYOAIVWKPXQL-SKDRFNHKSA-N 1 0 270.354 1.969 20 5 CDBDRO CON(C)C(=O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000818981116 840527326 /nfs/dbraw/zinc/52/73/26/840527326.db2.gz QWRCJLKCAHDUND-UHFFFAOYSA-N 1 0 267.285 1.094 20 5 CDBDRO CC[N@H+](CCNc1ccc(N)c([N+](=O)[O-])n1)C(C)C ZINC000853253297 840743469 /nfs/dbraw/zinc/74/34/69/840743469.db2.gz FGJWEANDSCPFPC-UHFFFAOYSA-N 1 0 267.333 1.714 20 5 CDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(N2CCOC2=O)cc1 ZINC000930209564 840757905 /nfs/dbraw/zinc/75/79/05/840757905.db2.gz GPOCBXQXTYKYIZ-SNVBAGLBSA-N 1 0 279.296 1.571 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000886039844 840805258 /nfs/dbraw/zinc/80/52/58/840805258.db2.gz QKYRXCHUVXTPCX-STQMWFEESA-N 1 0 277.324 1.991 20 5 CDBDRO O=[N+]([O-])CCN1CC[NH+](CC2CCCCC2)CC1 ZINC000929362766 840842476 /nfs/dbraw/zinc/84/24/76/840842476.db2.gz JQQARTUVSPTGBR-UHFFFAOYSA-N 1 0 255.362 1.461 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@H](O)CO)C2)cc1 ZINC000930637435 841163607 /nfs/dbraw/zinc/16/36/07/841163607.db2.gz LEWCMWXYIZSARJ-JSGCOSHPSA-N 1 0 280.324 1.127 20 5 CDBDRO Cc1cc(OCC(=O)NC[C@H]2CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000928555945 841328700 /nfs/dbraw/zinc/32/87/00/841328700.db2.gz LPAZFLJBNVWPSY-LLVKDONJSA-N 1 0 293.323 1.102 20 5 CDBDRO CCCCN(C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000124406699 841334194 /nfs/dbraw/zinc/33/41/94/841334194.db2.gz QLOPLIXFAHQVKD-UHFFFAOYSA-N 1 0 291.307 1.880 20 5 CDBDRO C[C@@H](O)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866212773 841386148 /nfs/dbraw/zinc/38/61/48/841386148.db2.gz VJOPEMVNNCNICB-RKDXNWHRSA-N 1 0 256.277 1.635 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](c2ccncc2)C2CC2)c1 ZINC000934693723 841399184 /nfs/dbraw/zinc/39/91/84/841399184.db2.gz VORXZWNZOTWLMO-CQSZACIVSA-N 1 0 287.323 1.927 20 5 CDBDRO CC(C)(C)[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000776590430 841795549 /nfs/dbraw/zinc/79/55/49/841795549.db2.gz DTPANINEWVJFKJ-NWDGAFQWSA-N 1 0 295.339 1.118 20 5 CDBDRO C[NH2+][C@@H](CC(C)C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000884100348 841829574 /nfs/dbraw/zinc/82/95/74/841829574.db2.gz RGGYVWVJMBENMZ-AWEZNQCLSA-N 1 0 293.367 1.888 20 5 CDBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])C2 ZINC000854734804 841831393 /nfs/dbraw/zinc/83/13/93/841831393.db2.gz DJYOLBBBPGEMQF-OAHLLOKOSA-N 1 0 297.399 1.766 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(Cc2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000886097977 841865097 /nfs/dbraw/zinc/86/50/97/841865097.db2.gz HNDWTHCZYZMFNS-VXGBXAGGSA-N 1 0 278.356 1.904 20 5 CDBDRO CO[C@@H](C[NH3+])Cc1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000822807883 841878387 /nfs/dbraw/zinc/87/83/87/841878387.db2.gz JTXYXZRBMPORPG-SNVBAGLBSA-N 1 0 292.295 1.469 20 5 CDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000832008203 841969338 /nfs/dbraw/zinc/96/93/38/841969338.db2.gz XUKPSZWLRVXSKS-CHWSQXEVSA-N 1 0 297.399 1.907 20 5 CDBDRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccco1 ZINC000839596183 842072907 /nfs/dbraw/zinc/07/29/07/842072907.db2.gz SXJBCQLCYOPOHF-IJLUTSLNSA-N 1 0 295.339 1.444 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000237370528 842209000 /nfs/dbraw/zinc/20/90/00/842209000.db2.gz MUWMKWDBEXGXCR-ZETCQYMHSA-N 1 0 271.704 1.573 20 5 CDBDRO C[NH+](C)CC[C@H](N)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000844676297 842349582 /nfs/dbraw/zinc/34/95/82/842349582.db2.gz CHOXISPXXJCMRV-NSHDSACASA-N 1 0 291.311 1.596 20 5 CDBDRO CSc1ccc(-c2nc(CC[NH3+])no2)cc1[N+](=O)[O-] ZINC000843131016 842815401 /nfs/dbraw/zinc/81/54/01/842815401.db2.gz WJYASQCHADDIHZ-UHFFFAOYSA-N 1 0 280.309 1.868 20 5 CDBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@@H]3CC3[N+](=O)[O-])ccc21 ZINC000839781869 842846870 /nfs/dbraw/zinc/84/68/70/842846870.db2.gz BNKBRSOEYXFRFG-HZSPNIEDSA-N 1 0 289.335 1.839 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+]1C ZINC000712541475 842903784 /nfs/dbraw/zinc/90/37/84/842903784.db2.gz GDMMURHUMABVTA-SECBINFHSA-N 1 0 253.306 1.236 20 5 CDBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000776583573 842913426 /nfs/dbraw/zinc/91/34/26/842913426.db2.gz FWBCXESWGYUCSC-GFCCVEGCSA-N 1 0 268.313 1.331 20 5 CDBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CC[NH2+]CC1 ZINC001574441549 1167637257 /nfs/dbraw/zinc/63/72/57/1167637257.db2.gz YPAWMLPCXIWZOT-UHFFFAOYSA-N 1 0 258.281 1.553 20 5 CDBDRO Cc1nc(-n2ccnc2[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001167056078 894065380 /nfs/dbraw/zinc/06/53/80/894065380.db2.gz NUHRAQAODLTSBM-LLVKDONJSA-N 1 0 287.323 1.951 20 5 CDBDRO CN(C)c1ccc(N[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001167278160 895026271 /nfs/dbraw/zinc/02/62/71/895026271.db2.gz AAOWYEWTZOVSCW-JTQLQIEISA-N 1 0 264.329 1.777 20 5 CDBDRO CCOc1cnc(-n2ccc(CC[NH3+])n2)c([N+](=O)[O-])c1 ZINC001167728652 899467582 /nfs/dbraw/zinc/46/75/82/899467582.db2.gz XAEGNVMEKXEFFH-UHFFFAOYSA-N 1 0 277.284 1.075 20 5 CDBDRO Cc1c(C[NH2+]CCc2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000148969586 914511489 /nfs/dbraw/zinc/51/14/89/914511489.db2.gz QCKUGGBLXRUDNN-UHFFFAOYSA-N 1 0 274.324 1.969 20 5 CDBDRO C[NH+](C)CCCO[C@@H](C[N+](=O)[O-])c1cccnc1 ZINC001206296939 914535594 /nfs/dbraw/zinc/53/55/94/914535594.db2.gz RCHVRRQWFYGTGV-LBPRGKRZSA-N 1 0 253.302 1.368 20 5 CDBDRO Nc1nc(N[C@H]2C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000094261249 915730145 /nfs/dbraw/zinc/73/01/45/915730145.db2.gz ANAFFCUHWSHOCC-VIFPVBQESA-N 1 0 263.301 1.078 20 5 CDBDRO CCN(c1ccc([N+](=O)[O-])c(N)n1)[C@@H]1CCC[NH2+]C1 ZINC000094261937 915730195 /nfs/dbraw/zinc/73/01/95/915730195.db2.gz UUZMKGJUKZGOGZ-SECBINFHSA-N 1 0 265.317 1.150 20 5 CDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC=CC1 ZINC001125129430 936352278 /nfs/dbraw/zinc/35/22/78/936352278.db2.gz RXZQEPVTKVTPES-UHFFFAOYSA-N 1 0 295.364 1.828 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CNC(=O)C1 ZINC001254539108 936406919 /nfs/dbraw/zinc/40/69/19/936406919.db2.gz BUSPEXYTDPTAKC-MWLCHTKSSA-N 1 0 263.297 1.004 20 5 CDBDRO CCC1(Nc2nc(Cl)ccc2[N+](=O)[O-])C[NH2+]C1 ZINC001168583182 919292592 /nfs/dbraw/zinc/29/25/92/919292592.db2.gz HUSLGAGHFKHJMU-UHFFFAOYSA-N 1 0 256.693 1.807 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCC1CCCCC1 ZINC001205573288 922818144 /nfs/dbraw/zinc/81/81/44/922818144.db2.gz ONIYPNWJPXVZIR-CYBMUJFWSA-N 1 0 258.382 1.567 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cc(N(CCC[NH3+])C(C)C)n1 ZINC001164122321 924604051 /nfs/dbraw/zinc/60/40/51/924604051.db2.gz DYWLKSBCUYVYNE-UHFFFAOYSA-N 1 0 296.327 1.340 20 5 CDBDRO [NH3+][C@@H]1CCN(c2cc([N+](=O)[O-])ccn2)CC1(F)F ZINC001166959410 925367517 /nfs/dbraw/zinc/36/75/17/925367517.db2.gz FSFBBTYDDDUULR-MRVPVSSYSA-N 1 0 258.228 1.163 20 5 CDBDRO CC(C)NC(=O)[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)C ZINC001168977404 927563254 /nfs/dbraw/zinc/56/32/54/927563254.db2.gz BFTBQJCQCMMAAM-UPJWGTAASA-N 1 0 285.388 1.571 20 5 CDBDRO CC1(C)OCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CO1 ZINC001168978431 927566010 /nfs/dbraw/zinc/56/60/10/927566010.db2.gz SBSUIRPWTHGEPM-VHSXEESVSA-N 1 0 258.318 1.173 20 5 CDBDRO COC(=O)c1cccnc1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168980252 927569401 /nfs/dbraw/zinc/56/94/01/927569401.db2.gz CKTNXQUOGGYWRA-QWRGUYRKSA-N 1 0 293.323 1.403 20 5 CDBDRO [NH3+]C[C@@H]1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc21 ZINC001168985326 927574649 /nfs/dbraw/zinc/57/46/49/927574649.db2.gz DHZFOYWUIJDCNH-XQQFMLRXSA-N 1 0 275.352 1.994 20 5 CDBDRO CC(=O)N1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168965732 927588996 /nfs/dbraw/zinc/58/89/96/927588996.db2.gz CIXDYQIYDHDUSY-YPMHNXCESA-N 1 0 269.345 1.032 20 5 CDBDRO Cc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)n1C ZINC001168970429 927593462 /nfs/dbraw/zinc/59/34/62/927593462.db2.gz HFBMDHLDZHYLNO-RYUDHWBXSA-N 1 0 251.330 1.869 20 5 CDBDRO COC(=O)c1ccnc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168974422 927597126 /nfs/dbraw/zinc/59/71/26/927597126.db2.gz QGHDBUWKHAQWPQ-ZYHUDNBSSA-N 1 0 293.323 1.403 20 5 CDBDRO COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)nc1 ZINC001168991371 927599135 /nfs/dbraw/zinc/59/91/35/927599135.db2.gz GMZHJQDFDYOKJA-CMPLNLGQSA-N 1 0 293.323 1.403 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(C3CCC3)CC2)C1 ZINC001169007709 927610720 /nfs/dbraw/zinc/61/07/20/927610720.db2.gz PTSKTVDJNQGVBS-OCCSQVGLSA-N 1 0 267.373 1.602 20 5 CDBDRO COCC[NH+](CCOC)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007365 927611894 /nfs/dbraw/zinc/61/18/94/927611894.db2.gz MXASERJDNUDONB-NEPJUHHUSA-N 1 0 260.334 1.027 20 5 CDBDRO COC1(C)CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169009506 927613537 /nfs/dbraw/zinc/61/35/37/927613537.db2.gz WSQBKNBQLIOPQO-RYUDHWBXSA-N 1 0 256.346 1.933 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)C1 ZINC001169011925 927617038 /nfs/dbraw/zinc/61/70/38/927617038.db2.gz NREBKQGYNFANLJ-DBIOUOCHSA-N 1 0 296.289 1.534 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@@](O)(CF)C2)C1 ZINC001169013768 927619231 /nfs/dbraw/zinc/61/92/31/927619231.db2.gz WHXHBPDTYRUUSO-FRRDWIJNSA-N 1 0 274.336 1.618 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@](O)(C(F)(F)F)C2)C1 ZINC001169013067 927619306 /nfs/dbraw/zinc/61/93/06/927619306.db2.gz TWYYJIAROFHHRT-OPRDCNLKSA-N 1 0 282.262 1.431 20 5 CDBDRO Cc1nc2c(n1[C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC[NH2+]CC2 ZINC001169014447 927619785 /nfs/dbraw/zinc/61/97/85/927619785.db2.gz ZWIYVVUXGVDOOI-NWDGAFQWSA-N 1 0 278.356 1.498 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccccn2)C1 ZINC001168986556 927621802 /nfs/dbraw/zinc/62/18/02/927621802.db2.gz XJYPTGMQBCMBIX-NQBHXWOUSA-N 1 0 265.313 1.150 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCC2CCC(O)CC2)C1 ZINC001168988440 927627216 /nfs/dbraw/zinc/62/72/16/927627216.db2.gz SFXNMVJPAHMRNW-QPPOZKHWSA-N 1 0 270.373 1.963 20 5 CDBDRO CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCN(C)CC1 ZINC001169029097 927636030 /nfs/dbraw/zinc/63/60/30/927636030.db2.gz UGTUMJIHCIWKSY-TZMCWYRMSA-N 1 0 269.389 1.848 20 5 CDBDRO N=c1sc2c(n1[C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC[NH2+]C2 ZINC001169035924 927645021 /nfs/dbraw/zinc/64/50/21/927645021.db2.gz MGNCBJWUCFQXON-DTWKUNHWSA-N 1 0 282.369 1.293 20 5 CDBDRO C[C@H]1C[C@H]2C[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@H]2O1 ZINC001169017568 927657487 /nfs/dbraw/zinc/65/74/87/927657487.db2.gz APZQGAYIWKUPQW-ZUWCUPBKSA-N 1 0 268.357 1.931 20 5 CDBDRO CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCOCC1 ZINC001169026949 927666511 /nfs/dbraw/zinc/66/65/11/927666511.db2.gz ONXLDMPITKSUJJ-WCQYABFASA-N 1 0 256.346 1.933 20 5 CDBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000804364620 928825016 /nfs/dbraw/zinc/82/50/16/928825016.db2.gz VZCKUNSCFBGZNK-DTORHVGOSA-N 1 0 278.268 1.159 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(N2CC[NH2+][C@H](C)C2)nc1Cl ZINC001156688926 928926467 /nfs/dbraw/zinc/92/64/67/928926467.db2.gz CKSQQNOEYUJWEU-MRVPVSSYSA-N 1 0 270.720 1.750 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1cc([N+](=O)[O-])cc(C)c1F ZINC001170866115 930523039 /nfs/dbraw/zinc/52/30/39/930523039.db2.gz NIBNMOQSLTXNFZ-LLVKDONJSA-N 1 0 257.265 1.512 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N1CC[C@@H](C[NH+](C)C)C1 ZINC001117703748 937544518 /nfs/dbraw/zinc/54/45/18/937544518.db2.gz BNWYARZERTUMNY-NSHDSACASA-N 1 0 264.329 1.686 20 5 CDBDRO C[NH2+][C@H](C)CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC001118122177 937593973 /nfs/dbraw/zinc/59/39/73/937593973.db2.gz QNALOOSHLXFLOE-ZJUUUORDSA-N 1 0 266.345 1.826 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(NC[C@@H]2CCC[NH2+]C[C@H]2C)n1 ZINC001155025063 937622968 /nfs/dbraw/zinc/62/29/68/937622968.db2.gz LJOUUEDLEHAXRV-KOLCDFICSA-N 1 0 279.344 1.741 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001119297483 937707048 /nfs/dbraw/zinc/70/70/48/937707048.db2.gz NXOVQZIJPXSONZ-UHFFFAOYSA-N 1 0 279.340 1.941 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(c3cccc([N+](=O)[O-])n3)C[C@H]21 ZINC001157261597 938470930 /nfs/dbraw/zinc/47/09/30/938470930.db2.gz SCABSFFFQNKKRW-WDEREUQCSA-N 1 0 262.313 1.520 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cc(N[C@H]2C[NH2+]CC[C@H]2F)n1 ZINC001157448171 938492893 /nfs/dbraw/zinc/49/28/93/938492893.db2.gz UTCJGNFFZVHKRT-SFYZADRCSA-N 1 0 274.683 1.755 20 5 CDBDRO O=[N+]([O-])c1cccc(NCC2(N3CCCC3)COC2)n1 ZINC001157650027 938526341 /nfs/dbraw/zinc/52/63/41/938526341.db2.gz JARKFIWETGDSPW-UHFFFAOYSA-N 1 0 278.312 1.267 20 5 CDBDRO CCC[NH+]1C[C@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC001157692072 938533111 /nfs/dbraw/zinc/53/31/11/938533111.db2.gz NKCVJSCQPNXUHF-QWRGUYRKSA-N 1 0 291.355 1.350 20 5 CDBDRO [NH3+]Cc1cccc(-c2nnn(-c3cccc([N+](=O)[O-])n3)n2)c1 ZINC001158042999 938578681 /nfs/dbraw/zinc/57/86/81/938578681.db2.gz UJVIKBRJYQXBMI-UHFFFAOYSA-N 1 0 297.278 1.091 20 5 CDBDRO Cc1cnc(C[NH3+])n1-c1nc(C)cc(Cl)c1[N+](=O)[O-] ZINC001158164910 938589597 /nfs/dbraw/zinc/58/95/97/938589597.db2.gz UIAMUTSLTIXFIU-UHFFFAOYSA-N 1 0 281.703 1.904 20 5 CDBDRO O=[N+]([O-])c1cccc(N2CCO[C@H](C[NH+]3CCCC3)C2)n1 ZINC001158305564 938606160 /nfs/dbraw/zinc/60/61/60/938606160.db2.gz REBFKGHMLVEYSV-GFCCVEGCSA-N 1 0 292.339 1.291 20 5 CDBDRO C[NH+]1CC2(CN(c3ccc4ccc([N+](=O)[O-])cc4n3)C2)C1 ZINC001158863491 938672817 /nfs/dbraw/zinc/67/28/17/938672817.db2.gz AWVQGHZBVRCPBA-UHFFFAOYSA-N 1 0 284.319 1.895 20 5 CDBDRO C[NH+]1CC2(CN(c3nccc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC001158867881 938673597 /nfs/dbraw/zinc/67/35/97/938673597.db2.gz BBQCDXXGZWFXFD-UHFFFAOYSA-N 1 0 284.319 1.895 20 5 CDBDRO CN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC001159054239 938698353 /nfs/dbraw/zinc/69/83/53/938698353.db2.gz IIGZABRFMIGAFG-UHFFFAOYSA-N 1 0 294.142 1.865 20 5 CDBDRO CCOC(=O)C1=C(Nc2cc([N+](=O)[O-])ccn2)CC[NH2+]C1 ZINC001159453107 938729536 /nfs/dbraw/zinc/72/95/36/938729536.db2.gz OUJWIAIMRQUHMP-UHFFFAOYSA-N 1 0 292.295 1.212 20 5 CDBDRO COC(=O)c1ccnc(NC[C@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC001160147910 938771448 /nfs/dbraw/zinc/77/14/48/938771448.db2.gz MEARIHGLKVWAOS-SECBINFHSA-N 1 0 294.311 1.330 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@]1(C[NH3+])CN2CCC1CC2 ZINC001160509411 938792298 /nfs/dbraw/zinc/79/22/98/938792298.db2.gz RXVUVSXMDDGYBD-AWEZNQCLSA-N 1 0 291.355 1.133 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CCNc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001160966460 938852177 /nfs/dbraw/zinc/85/21/77/938852177.db2.gz JDUJIISAIGSHFW-SNVBAGLBSA-N 1 0 266.301 1.124 20 5 CDBDRO C[C@@]1([NH3+])C[C@H](Nc2nc(Cl)ncc2[N+](=O)[O-])C1 ZINC001162325038 939024047 /nfs/dbraw/zinc/02/40/47/939024047.db2.gz MZIXNXRSFLQFFY-LCIHJAJSSA-N 1 0 257.681 1.330 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)nc1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162478300 939065618 /nfs/dbraw/zinc/06/56/18/939065618.db2.gz XECKSNVQJIOCHG-BQBZGAKWSA-N 1 0 274.683 1.755 20 5 CDBDRO Nc1nc(=O)[nH]cc1Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001162789275 939139007 /nfs/dbraw/zinc/13/90/07/939139007.db2.gz YPWLROAIATXPGV-UHFFFAOYSA-N 1 0 288.267 1.019 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)c(Cl)c1 ZINC001162790247 939140571 /nfs/dbraw/zinc/14/05/71/939140571.db2.gz RLMNRMXGKPKHMS-BCMRRPTOSA-N 1 0 280.715 1.829 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N[C@@H]1C=C[C@H]2C[NH2+]C[C@@H]21 ZINC001162795352 939142984 /nfs/dbraw/zinc/14/29/84/939142984.db2.gz VHIROXHLFGSVJQ-XHNCKOQMSA-N 1 0 296.714 1.068 20 5 CDBDRO CCOc1nc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)ccc1[N+](=O)[O-] ZINC001162797369 939144105 /nfs/dbraw/zinc/14/41/05/939144105.db2.gz MHPVIKWUJRPSPM-GMTAPVOTSA-N 1 0 290.323 1.574 20 5 CDBDRO Cc1cc(NCC[C@H]2CCOC23C[NH2+]C3)ncc1[N+](=O)[O-] ZINC001163090343 939197609 /nfs/dbraw/zinc/19/76/09/939197609.db2.gz UOBWGXXVGIEWEM-NSHDSACASA-N 1 0 292.339 1.479 20 5 CDBDRO C[NH2+]CCN(C)c1ncc([N+](=O)[O-])c2ccccc21 ZINC001163719334 939314360 /nfs/dbraw/zinc/31/43/60/939314360.db2.gz YMYFEYUFXPRALY-UHFFFAOYSA-N 1 0 260.297 1.799 20 5 CDBDRO CC(C)N(CCC[NH3+])c1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001164122667 939413273 /nfs/dbraw/zinc/41/32/73/939413273.db2.gz LXTSLLQKXPHRPG-UHFFFAOYSA-N 1 0 288.735 1.445 20 5 CDBDRO COC(=O)c1cc(N(CCC[NH3+])C(C)C)cc([N+](=O)[O-])c1 ZINC001164126729 939414595 /nfs/dbraw/zinc/41/45/95/939414595.db2.gz HIXPJHOYRNBGMC-UHFFFAOYSA-N 1 0 295.339 1.945 20 5 CDBDRO COc1ncnc(N2CCC[C@](C)(C[NH3+])CC2)c1[N+](=O)[O-] ZINC001164246784 939440970 /nfs/dbraw/zinc/44/09/70/939440970.db2.gz COVIWHMBVLWICS-ZDUSSCGKSA-N 1 0 295.343 1.349 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2ccc(-n3cnc4c3C[NH2+]CC4)nc21 ZINC001164316851 939453037 /nfs/dbraw/zinc/45/30/37/939453037.db2.gz QFYZUZKABFJAKM-UHFFFAOYSA-N 1 0 284.279 1.303 20 5 CDBDRO C[NH+]1C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@H]2C1 ZINC001165151443 939519562 /nfs/dbraw/zinc/51/95/62/939519562.db2.gz UXLXCWJHACOCOX-RKDXNWHRSA-N 1 0 266.276 1.127 20 5 CDBDRO O=[N+]([O-])c1ccc2ncc(-n3ncc4c3CC[NH2+]C4)nc2c1 ZINC001165219361 939526446 /nfs/dbraw/zinc/52/64/46/939526446.db2.gz XWMCBLYULAPVCO-UHFFFAOYSA-N 1 0 296.290 1.369 20 5 CDBDRO COc1ncc([N+](=O)[O-])c(NCC[C@@H]2CCC[N@H+](C)C2)n1 ZINC001165261335 939535622 /nfs/dbraw/zinc/53/56/22/939535622.db2.gz ONBZSTFQEOMJKU-JTQLQIEISA-N 1 0 295.343 1.537 20 5 CDBDRO Cc1ccnc(N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)c1[N+](=O)[O-] ZINC001165434522 939564786 /nfs/dbraw/zinc/56/47/86/939564786.db2.gz ZOUBXKDTXFDSLO-MNOVXSKESA-N 1 0 294.330 1.811 20 5 CDBDRO [NH3+][C@@H]1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1(F)F ZINC001166962698 939662528 /nfs/dbraw/zinc/66/25/28/939662528.db2.gz WZANBVAZDGHWGD-MRVPVSSYSA-N 1 0 276.218 1.302 20 5 CDBDRO COc1ccc(OC)c(C(=O)CO[C@@H](C)C[N+](C)(C)C)c1 ZINC001204769192 939789174 /nfs/dbraw/zinc/78/91/74/939789174.db2.gz XUOCYCNFMUDHGZ-LBPRGKRZSA-N 1 0 296.387 1.998 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@H]1CC[NH2+]C1 ZINC001217823883 941021331 /nfs/dbraw/zinc/02/13/31/941021331.db2.gz GULBXWRUHNVSEQ-NSHDSACASA-N 1 0 280.280 1.260 20 5 CDBDRO C[N@@H+]1CC[C@@H](OCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001222925305 941642000 /nfs/dbraw/zinc/64/20/00/941642000.db2.gz LBXZMEXQSGPYMH-SNVBAGLBSA-N 1 0 277.280 1.957 20 5 CDBDRO C[C@@H](OC(=O)C[C@@H](O)C[N+](C)(C)C)c1ccccc1 ZINC001223447569 941678589 /nfs/dbraw/zinc/67/85/89/941678589.db2.gz DUDQJHVJVQPVDP-TZMCWYRMSA-N 1 0 266.361 1.748 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCc1nc(-c2ccncc2)no1 ZINC001224246384 941732885 /nfs/dbraw/zinc/73/28/85/941732885.db2.gz BNJJUKRHXXLRDM-LLVKDONJSA-N 1 0 277.348 1.743 20 5 CDBDRO C[N+](C)(C)CCCO[C@@H]1[C@H]2C[C@H]3C(=O)O[C@H]1[C@H]3C2 ZINC001224618201 941776784 /nfs/dbraw/zinc/77/67/84/941776784.db2.gz DNJNSJGEHIAXEZ-MLGHIDQZSA-N 1 0 254.350 1.049 20 5 CDBDRO COC(=O)C[C@H]1CCC[C@H](OCC[N+](C)(C)C)C1 ZINC001224776285 941790059 /nfs/dbraw/zinc/79/00/59/941790059.db2.gz UKZXTPPMFLVISG-STQMWFEESA-N 1 0 258.382 1.831 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OCC[N+](C)(C)C ZINC001224775224 941790306 /nfs/dbraw/zinc/79/03/06/941790306.db2.gz JVATVDPOVDMTME-SNVBAGLBSA-N 1 0 271.341 1.211 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1nc(=O)[nH]cc1C(F)(F)F ZINC001225577481 941883685 /nfs/dbraw/zinc/88/36/85/941883685.db2.gz XBZOVHRBRYLFKF-SSDOTTSWSA-O 1 0 280.270 1.675 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(O[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001225598929 941886927 /nfs/dbraw/zinc/88/69/27/941886927.db2.gz ZAWQBCBVHASEQP-SECBINFHSA-N 1 0 281.268 1.894 20 5 CDBDRO C[C@@H](C[NH+](C)C)Oc1ccc([N+](=O)[O-])cc1C(N)=O ZINC001226166908 941960345 /nfs/dbraw/zinc/96/03/45/941960345.db2.gz ABVFUFVLJTVHCQ-QMMMGPOBSA-N 1 0 267.285 1.023 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cc(C(F)(F)F)nn1C ZINC001226227032 941970464 /nfs/dbraw/zinc/97/04/64/941970464.db2.gz VHTNOCNXQHWGBP-MRVPVSSYSA-N 1 0 266.287 1.912 20 5 CDBDRO CC[NH+]1CCC(Oc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001226755143 942064395 /nfs/dbraw/zinc/06/43/95/942064395.db2.gz IYNHDIXBAXZNDV-UHFFFAOYSA-N 1 0 269.276 1.992 20 5 CDBDRO Cc1cc(C)nc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001227248139 942157358 /nfs/dbraw/zinc/15/73/58/942157358.db2.gz SPQHEXPACJAFJZ-GFCCVEGCSA-N 1 0 267.349 1.061 20 5 CDBDRO CC(=O)c1cccc(F)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227341297 942167976 /nfs/dbraw/zinc/16/79/76/942167976.db2.gz KCRNLXBGYDCNCW-LLVKDONJSA-N 1 0 298.334 1.391 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1noc2ccc(F)cc21 ZINC001227998093 942254686 /nfs/dbraw/zinc/25/46/86/942254686.db2.gz TVIHICFFNCEFCN-SNVBAGLBSA-N 1 0 297.306 1.330 20 5 CDBDRO [NH3+][C@H](CC(F)F)CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001332473084 942474588 /nfs/dbraw/zinc/47/45/88/942474588.db2.gz FFLOBPBQFBJTSH-SNVBAGLBSA-N 1 0 271.267 1.893 20 5 CDBDRO [NH3+][C@H](CC1CC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001262035631 946392115 /nfs/dbraw/zinc/39/21/15/946392115.db2.gz QDQWIZHQEXKIQF-CQSZACIVSA-N 1 0 289.335 1.607 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1OCCO1 ZINC001254539102 947516372 /nfs/dbraw/zinc/51/63/72/947516372.db2.gz FMARUVPEBYIOAK-SNVBAGLBSA-N 1 0 266.297 1.488 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]1CO ZINC001254552324 947520183 /nfs/dbraw/zinc/52/01/83/947520183.db2.gz KWNQTACBNSWNPH-YPMHNXCESA-N 1 0 264.325 1.983 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](O)C1 ZINC001254550326 947521238 /nfs/dbraw/zinc/52/12/38/947521238.db2.gz HRFWQIPIVFJXPP-WCQYABFASA-N 1 0 264.325 1.983 20 5 CDBDRO CC[N@H+](CCC(N)=O)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254561302 947524963 /nfs/dbraw/zinc/52/49/63/947524963.db2.gz GFADASFTXZFHRQ-NSHDSACASA-N 1 0 279.340 1.723 20 5 CDBDRO CO[C@H]1C[C@@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254574431 947532163 /nfs/dbraw/zinc/53/21/63/947532163.db2.gz HCGCEEXCACLNGX-SGMGOOAPSA-N 1 0 262.309 1.829 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCn1cccn1)C2 ZINC001254572905 947532852 /nfs/dbraw/zinc/53/28/52/947532852.db2.gz UVEFORYDRNBVLS-ZDUSSCGKSA-N 1 0 272.308 1.548 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573811 947533995 /nfs/dbraw/zinc/53/39/95/947533995.db2.gz CIRIUEGAIVERKH-UONOGXRCSA-N 1 0 261.325 1.485 20 5 CDBDRO CC(=O)NC[C@H](C)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254578151 947535327 /nfs/dbraw/zinc/53/53/27/947535327.db2.gz AQYXLLWYTVTNNP-IINYFYTJSA-N 1 0 291.351 1.424 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCC1COC1)C2 ZINC001254577231 947535585 /nfs/dbraw/zinc/53/55/85/947535585.db2.gz DLZUKRPURMBLPK-ZDUSSCGKSA-N 1 0 262.309 1.688 20 5 CDBDRO CCOC(=O)[C@@H](C)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580072 947537015 /nfs/dbraw/zinc/53/70/15/947537015.db2.gz AWVKPBYIIGXPGG-GXFFZTMASA-N 1 0 292.335 1.851 20 5 CDBDRO CN(C)C(=O)CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254584127 947540758 /nfs/dbraw/zinc/54/07/58/947540758.db2.gz PTTFJODZVOTBOL-LBPRGKRZSA-N 1 0 277.324 1.130 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@H](O)C1)C2 ZINC001254594469 947545424 /nfs/dbraw/zinc/54/54/24/947545424.db2.gz RFYPLHNGOUHZTC-KGLIPLIRSA-N 1 0 262.309 1.519 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@@H](CO)C1)C2 ZINC001254599484 947550901 /nfs/dbraw/zinc/55/09/01/947550901.db2.gz MDFOAGWGJQMGRG-YGRLFVJLSA-N 1 0 262.309 1.376 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[N@@H+]3CC[C@H]3C1)C2 ZINC001254605698 947553750 /nfs/dbraw/zinc/55/37/50/947553750.db2.gz CQOYWWPOSQCTPA-LSDHHAIUSA-N 1 0 273.336 1.452 20 5 CDBDRO CC(C)(C)[NH2+]CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001251402675 950696605 /nfs/dbraw/zinc/69/66/05/950696605.db2.gz UTHLQUFLZDUHHS-UHFFFAOYSA-N 1 0 294.355 1.511 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001325324308 953840424 /nfs/dbraw/zinc/84/04/24/953840424.db2.gz OUMYFGROZSLQIU-NSHDSACASA-N 1 0 294.355 1.435 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327564040 954938959 /nfs/dbraw/zinc/93/89/59/954938959.db2.gz VSDPLHOGNIZPDM-QWHCGFSZSA-N 1 0 275.308 1.564 20 5 CDBDRO CC[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC001307701975 956432669 /nfs/dbraw/zinc/43/26/69/956432669.db2.gz FZTXDPCUULUDKW-RYUDHWBXSA-N 1 0 279.340 1.877 20 5 CDBDRO COc1ccc(C[NH2+]Cc2ccc[nH]c2=O)cc1[N+](=O)[O-] ZINC001308482151 956535420 /nfs/dbraw/zinc/53/54/20/956535420.db2.gz JCXXHBUGIRBOMV-UHFFFAOYSA-N 1 0 289.291 1.994 20 5 CDBDRO CC[C@@](C)(O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335401089 959776955 /nfs/dbraw/zinc/77/69/55/959776955.db2.gz XRJBMHKKLAMLIX-CHWSQXEVSA-N 1 0 268.313 1.379 20 5 CDBDRO CN(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335481096 959832182 /nfs/dbraw/zinc/83/21/82/959832182.db2.gz JAGJNAZJASQGQB-KFWWJZLASA-N 1 0 293.367 1.701 20 5 CDBDRO C[NH+](C)[C@@]1(CNc2cc(N)c([N+](=O)[O-])cn2)CCSC1 ZINC001337886108 961490662 /nfs/dbraw/zinc/49/06/62/961490662.db2.gz WPSMESAMTPDZNE-GFCCVEGCSA-N 1 0 297.384 1.421 20 5 CDBDRO Cc1cc(NC(=O)[C@H](C)[C@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC001342136088 963649452 /nfs/dbraw/zinc/64/94/52/963649452.db2.gz SXXMMOSYGQKEEK-BDAKNGLRSA-N 1 0 251.286 1.825 20 5 CDBDRO [NH3+]C1CC2(C1)CC(NC(=O)c1ccc([N+](=O)[O-])cc1F)C2 ZINC001342665248 963791873 /nfs/dbraw/zinc/79/18/73/963791873.db2.gz VOGSWUDKKVRTSE-UHFFFAOYSA-N 1 0 293.298 1.734 20 5 CDBDRO Cc1cc(NC(=O)[C@H]([NH3+])C(C)C)cc([N+](=O)[O-])c1 ZINC001343682254 964093521 /nfs/dbraw/zinc/09/35/21/964093521.db2.gz WQUOLAPHYAJZFB-LLVKDONJSA-N 1 0 251.286 1.825 20 5 CDBDRO Cc1cc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc([N+](=O)[O-])c1 ZINC001343776602 964137386 /nfs/dbraw/zinc/13/73/86/964137386.db2.gz MLDMCVQVSPDAGN-NEPJUHHUSA-N 1 0 263.297 1.969 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1C[C@]12CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC001344790107 964428268 /nfs/dbraw/zinc/42/82/68/964428268.db2.gz USDWJMHYOVGLSE-XEGUGMAKSA-N 1 0 289.335 1.772 20 5 CDBDRO Cc1c(C[NH2+]CCc2cn[nH]c2)cccc1[N+](=O)[O-] ZINC001348900380 966224996 /nfs/dbraw/zinc/22/49/96/966224996.db2.gz CHPOFBAWJGSLPS-UHFFFAOYSA-N 1 0 260.297 1.959 20 5 CDBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC001348898103 966225322 /nfs/dbraw/zinc/22/53/22/966225322.db2.gz FJQOEMYCPKFRSP-LLVKDONJSA-N 1 0 297.359 1.028 20 5 CDBDRO C[NH2+]C1(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001358142219 969701643 /nfs/dbraw/zinc/70/16/43/969701643.db2.gz JTURUAMGRYIIEP-JTQLQIEISA-N 1 0 277.324 1.914 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001515457909 969895504 /nfs/dbraw/zinc/89/55/04/969895504.db2.gz GSTUBXOGZJDLPQ-VIFPVBQESA-N 1 0 265.317 1.326 20 5 CDBDRO CC(C)(C)c1ccc(C(=O)NC[C@H]2CC[NH2+]2)cc1[N+](=O)[O-] ZINC001575273184 1171142039 /nfs/dbraw/zinc/14/20/39/1171142039.db2.gz VSBCMCVGKZPKKX-LLVKDONJSA-N 1 0 291.351 1.984 20 5 CDBDRO C[C@H](CNC(=O)OC1C[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001576029619 1171315570 /nfs/dbraw/zinc/31/55/70/1171315570.db2.gz OVJBFBTVXGOKSM-SECBINFHSA-N 1 0 279.296 1.396 20 5 CDBDRO CC[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC001577834127 1171752208 /nfs/dbraw/zinc/75/22/08/1171752208.db2.gz ORXJGZWHVBIKLE-UHFFFAOYSA-N 1 0 274.280 1.691 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000618460380 349464976 /nfs/dbraw/zinc/46/49/76/349464976.db2.gz CGNLHVXINSYISR-LBPRGKRZSA-N 1 0 291.351 1.927 20 5 CDBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc(N)c([N+](=O)[O-])n3)[C@H]2C1 ZINC000590582742 342576814 /nfs/dbraw/zinc/57/68/14/342576814.db2.gz TYZWMFVMRCRQLG-ONGXEEELSA-N 1 0 277.328 1.102 20 5 CDBDRO CC[NH+]1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000046055552 342049464 /nfs/dbraw/zinc/04/94/64/342049464.db2.gz VKXXJEOTMDVJGS-UHFFFAOYSA-N 1 0 279.340 1.611 20 5 CDBDRO CC[NH+]1CCC(CNc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000590687270 342582840 /nfs/dbraw/zinc/58/28/40/342582840.db2.gz IIUVMZYBXQFKBG-UHFFFAOYSA-N 1 0 279.344 1.259 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000237393534 342059430 /nfs/dbraw/zinc/05/94/30/342059430.db2.gz HXZQGEVPUASJGX-GHMZBOCLSA-N 1 0 293.323 1.312 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000237393916 342059566 /nfs/dbraw/zinc/05/95/66/342059566.db2.gz HNMIRPFJOCCJLS-GHMZBOCLSA-N 1 0 293.323 1.312 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000237411381 342059833 /nfs/dbraw/zinc/05/98/33/342059833.db2.gz SONSIILOYLPVFS-RKDXNWHRSA-N 1 0 278.312 1.129 20 5 CDBDRO O=C1NCCC[C@@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000590971823 342612446 /nfs/dbraw/zinc/61/24/46/342612446.db2.gz OHASDIFWITWNAT-ACVFHECNSA-N 1 0 289.335 1.724 20 5 CDBDRO O=C1NCCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000590971924 342612497 /nfs/dbraw/zinc/61/24/97/342612497.db2.gz WXQIVONXPCAMDW-NSHDSACASA-N 1 0 263.297 1.211 20 5 CDBDRO Cc1c(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000591272241 342623799 /nfs/dbraw/zinc/62/37/99/342623799.db2.gz IQLJTPKDIYCRIA-PHIMTYICSA-N 1 0 290.323 1.586 20 5 CDBDRO CCc1nn(C)c(N2CC[C@@H]3CC[NH2+][C@H]3C2)c1[N+](=O)[O-] ZINC000591437724 342631920 /nfs/dbraw/zinc/63/19/20/342631920.db2.gz JLIUWBYDCAQNOW-ONGXEEELSA-N 1 0 279.344 1.079 20 5 CDBDRO COc1cc(N2CC[C@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])cc1F ZINC000591438099 342632040 /nfs/dbraw/zinc/63/20/40/342632040.db2.gz KYAWKTNFNIJDDZ-KOLCDFICSA-N 1 0 295.314 1.931 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000592568235 342707000 /nfs/dbraw/zinc/70/70/00/342707000.db2.gz BQZDNTAJTAQSRA-GHMZBOCLSA-N 1 0 294.355 1.273 20 5 CDBDRO C[C@H]1C[NH2+]CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000125430506 187184408 /nfs/dbraw/zinc/18/44/08/187184408.db2.gz AGYAQAXYBYAVDC-VIFPVBQESA-N 1 0 297.742 1.611 20 5 CDBDRO CCN1C[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1=O ZINC000593686604 342822286 /nfs/dbraw/zinc/82/22/86/342822286.db2.gz JKUSDRJQUJXOIE-SECBINFHSA-N 1 0 283.353 1.614 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)CCF ZINC000593690345 342823478 /nfs/dbraw/zinc/82/34/78/342823478.db2.gz XVZXFBISGTWCBT-NSHDSACASA-N 1 0 286.303 1.804 20 5 CDBDRO C[C@]1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCC(=O)N1 ZINC000453594126 252328209 /nfs/dbraw/zinc/32/82/09/252328209.db2.gz WOYLXDPTJIEPKU-CSPWOOARSA-N 1 0 289.335 1.866 20 5 CDBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])o1 ZINC000594201684 342879921 /nfs/dbraw/zinc/87/99/21/342879921.db2.gz PGFQPJJAORTTFO-MNOVXSKESA-N 1 0 293.323 1.935 20 5 CDBDRO COc1ccc(CN[C@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600677280 342241948 /nfs/dbraw/zinc/24/19/48/342241948.db2.gz BXLHXUKTAYNEFV-JQWIXIFHSA-N 1 0 279.340 1.834 20 5 CDBDRO CCN(CC[NH3+])Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000600773482 342248360 /nfs/dbraw/zinc/24/83/60/342248360.db2.gz ILAKRZSGDUZQCP-UHFFFAOYSA-N 1 0 289.282 1.977 20 5 CDBDRO C[NH+](C)CCNc1ccc(-c2ccc([N+](=O)[O-])nc2)cn1 ZINC000600789970 342249536 /nfs/dbraw/zinc/24/95/36/342249536.db2.gz VHEWPQRWCNUDCV-UHFFFAOYSA-N 1 0 287.323 1.447 20 5 CDBDRO O=[N+]([O-])c1ccccc1Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000404608320 349775891 /nfs/dbraw/zinc/77/58/91/349775891.db2.gz DUMBJWNXRNDKFK-UHFFFAOYSA-N 1 0 287.323 1.702 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H]1CC[NH3+] ZINC000404276449 349769738 /nfs/dbraw/zinc/76/97/38/349769738.db2.gz BAQQQTYIBKQDNR-PWSUYJOCSA-N 1 0 294.355 1.523 20 5 CDBDRO Cc1noc(C[NH2+]C2(CO)CCCCC2)c1[N+](=O)[O-] ZINC000595389579 343053442 /nfs/dbraw/zinc/05/34/42/343053442.db2.gz IZTUPPRCUKTKDU-UHFFFAOYSA-N 1 0 269.301 1.676 20 5 CDBDRO COC1([C@@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])CCOCC1 ZINC000595547474 343084389 /nfs/dbraw/zinc/08/43/89/343084389.db2.gz UJFRQKHPIDRRNP-SNVBAGLBSA-N 1 0 299.327 1.565 20 5 CDBDRO CCN1CC[C@@H]([N@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000595485957 343075086 /nfs/dbraw/zinc/07/50/86/343075086.db2.gz ZVYNIQJSQDUKKS-CQSZACIVSA-N 1 0 291.351 1.690 20 5 CDBDRO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000595767176 343146270 /nfs/dbraw/zinc/14/62/70/343146270.db2.gz WFWZGVWARYRYGD-CMPLNLGQSA-N 1 0 250.298 1.940 20 5 CDBDRO Cc1cnc(N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000078658316 342339072 /nfs/dbraw/zinc/33/90/72/342339072.db2.gz ODRIODLYUHWDDR-GFCCVEGCSA-N 1 0 276.340 1.973 20 5 CDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000126461272 187240981 /nfs/dbraw/zinc/24/09/81/187240981.db2.gz SHCIDNAXHMRYLM-VHSXEESVSA-N 1 0 295.364 1.554 20 5 CDBDRO CC[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000382503752 362121021 /nfs/dbraw/zinc/12/10/21/362121021.db2.gz LWPOMWHUMJUQHC-JTQLQIEISA-N 1 0 288.731 1.940 20 5 CDBDRO Cc1ccc(NC(=O)N[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000596122129 343248455 /nfs/dbraw/zinc/24/84/55/343248455.db2.gz RTEDDSMDBFOIAR-CYBMUJFWSA-N 1 0 278.312 1.777 20 5 CDBDRO CS[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)C[C@@H]1[NH+](C)C ZINC000596177992 343248791 /nfs/dbraw/zinc/24/87/91/343248791.db2.gz KHMDAVBJCQUKSR-UWVGGRQHSA-N 1 0 297.384 1.054 20 5 CDBDRO CN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596184952 343251451 /nfs/dbraw/zinc/25/14/51/343251451.db2.gz LIDPMVDVRQIMOF-UHFFFAOYSA-N 1 0 280.328 1.082 20 5 CDBDRO C[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])C[NH+](C)C ZINC000596238634 343283587 /nfs/dbraw/zinc/28/35/87/343283587.db2.gz VVKLZSGEGXQPJF-QMMMGPOBSA-N 1 0 254.290 1.305 20 5 CDBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@@H]1C ZINC000596171879 343259456 /nfs/dbraw/zinc/25/94/56/343259456.db2.gz FQQUUFAHPVYXQV-JTQLQIEISA-N 1 0 292.339 1.224 20 5 CDBDRO CC[N@@H+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000596173340 343259637 /nfs/dbraw/zinc/25/96/37/343259637.db2.gz TULUCKKHWRSESI-VIFPVBQESA-N 1 0 266.301 1.226 20 5 CDBDRO C[NH+](C)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000359298175 282239067 /nfs/dbraw/zinc/23/90/67/282239067.db2.gz SMDMNVWPMRCLNR-CQSZACIVSA-N 1 0 291.351 1.594 20 5 CDBDRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000371584541 362165613 /nfs/dbraw/zinc/16/56/13/362165613.db2.gz GGVIPPJWWHORCM-YRGRVCCFSA-N 1 0 289.335 1.171 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000596438945 343321600 /nfs/dbraw/zinc/32/16/00/343321600.db2.gz AQRHGASUWOKHJG-JTQLQIEISA-N 1 0 294.355 1.773 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000596448117 343324008 /nfs/dbraw/zinc/32/40/08/343324008.db2.gz VFLODRFLOUWZHM-SNVBAGLBSA-N 1 0 294.355 1.536 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000596306930 343293020 /nfs/dbraw/zinc/29/30/20/343293020.db2.gz JSSUDWFQLXMWSS-LLVKDONJSA-N 1 0 278.356 1.944 20 5 CDBDRO CC[NH+]1CCN(CCNc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000092606281 342418186 /nfs/dbraw/zinc/41/81/86/342418186.db2.gz SUCJRBNECIIYBQ-UHFFFAOYSA-N 1 0 293.371 1.348 20 5 CDBDRO COC(=O)c1cnc(N(C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000189379093 365771356 /nfs/dbraw/zinc/77/13/56/365771356.db2.gz OAGFTVNBEJZHJQ-UHFFFAOYSA-N 1 0 296.327 1.164 20 5 CDBDRO C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598644838 343854892 /nfs/dbraw/zinc/85/48/92/343854892.db2.gz AQMURWWMHJIWRR-QWHCGFSZSA-N 1 0 294.351 1.924 20 5 CDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000598668959 343871749 /nfs/dbraw/zinc/87/17/49/343871749.db2.gz DOKPJYAUFQLHLJ-YMTOWFKASA-N 1 0 293.298 1.687 20 5 CDBDRO Nc1ncc2c(n1)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000598947320 343928069 /nfs/dbraw/zinc/92/80/69/343928069.db2.gz KZLRNEHIWZYWNK-UHFFFAOYSA-N 1 0 299.334 1.398 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCCC[N@H+](C)C1 ZINC000599140312 343959919 /nfs/dbraw/zinc/95/99/19/343959919.db2.gz UQELMWMWNDYKAJ-JTQLQIEISA-N 1 0 267.333 1.472 20 5 CDBDRO CCN(CC[NH3+])C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000599585297 344093912 /nfs/dbraw/zinc/09/39/12/344093912.db2.gz FBQUOXHWBFJRAN-UHFFFAOYSA-N 1 0 266.301 1.716 20 5 CDBDRO CC[NH2+][C@@H](C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000602444619 344431926 /nfs/dbraw/zinc/43/19/26/344431926.db2.gz JOHAYKFSMNILBA-JTQLQIEISA-N 1 0 265.313 1.252 20 5 CDBDRO CC(C)CC[C@H]([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000602439267 344417047 /nfs/dbraw/zinc/41/70/47/344417047.db2.gz JAMWRHNUQMZTCW-ZDUSSCGKSA-N 1 0 279.340 1.975 20 5 CDBDRO C[C@H](CO[C@@H]1CCOC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602566947 344483607 /nfs/dbraw/zinc/48/36/07/344483607.db2.gz GNVHWPOQKGEKCM-IUODEOHRSA-N 1 0 294.351 1.921 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)C1CCOCC1 ZINC000602804990 344592813 /nfs/dbraw/zinc/59/28/13/344592813.db2.gz JBSOHUNHUSSHTL-SNVBAGLBSA-N 1 0 282.344 1.504 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000602805297 344593222 /nfs/dbraw/zinc/59/32/22/344593222.db2.gz OJBUMWJYAQGKJG-KBPBESRZSA-N 1 0 294.355 1.647 20 5 CDBDRO CCC[C@@]1(CO)CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602818734 344608593 /nfs/dbraw/zinc/60/85/93/344608593.db2.gz OFHNNRKQDXMIMD-AWEZNQCLSA-N 1 0 296.371 1.727 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2(C3CC3)CC2)c1 ZINC000542521423 362447905 /nfs/dbraw/zinc/44/79/05/362447905.db2.gz MFSPMSIHSOMKNS-CYBMUJFWSA-N 1 0 292.335 1.867 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000602786256 344599146 /nfs/dbraw/zinc/59/91/46/344599146.db2.gz FENFKYUXPZLIRF-CYBMUJFWSA-N 1 0 296.371 1.847 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000602817865 344607875 /nfs/dbraw/zinc/60/78/75/344607875.db2.gz VCFDMRMOPHZPFA-GMXVVIOVSA-N 1 0 296.371 1.581 20 5 CDBDRO CO[C@@H]1C[C@@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])C1(C)C ZINC000602843579 344622497 /nfs/dbraw/zinc/62/24/97/344622497.db2.gz XTWQZSIHBNLXJU-GHMZBOCLSA-N 1 0 282.344 1.503 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@H]2CSCC[NH2+]2)c(Cl)c1 ZINC000603420650 344799886 /nfs/dbraw/zinc/79/98/86/344799886.db2.gz VPPKLMXKDGTPOX-ZETCQYMHSA-N 1 0 288.760 1.760 20 5 CDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C1 ZINC000127271845 187292568 /nfs/dbraw/zinc/29/25/68/187292568.db2.gz FCWQOMBRWBCFCQ-GFCCVEGCSA-N 1 0 292.339 1.265 20 5 CDBDRO COC[C@@H](CO)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000603436423 344808770 /nfs/dbraw/zinc/80/87/70/344808770.db2.gz YIQDTDHAEODLIY-ASJRZHAZSA-N 1 0 280.324 1.595 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000313517706 344907446 /nfs/dbraw/zinc/90/74/46/344907446.db2.gz NMGPXUAGOAGSOP-ZANVPECISA-N 1 0 283.303 1.282 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H](O)CC2)c([N+](=O)[O-])c1 ZINC000293239489 362541205 /nfs/dbraw/zinc/54/12/05/362541205.db2.gz SPTJKHBOCAIBLF-GFCCVEGCSA-N 1 0 295.295 1.850 20 5 CDBDRO C[NH+](C)C1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000344350223 362573381 /nfs/dbraw/zinc/57/33/81/362573381.db2.gz UEROAKXZKXJYFN-UHFFFAOYSA-N 1 0 291.351 1.645 20 5 CDBDRO CNC(=O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052328777 345240817 /nfs/dbraw/zinc/24/08/17/345240817.db2.gz GNRQPSPSCGOWAT-UHFFFAOYSA-N 1 0 291.351 1.595 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000129128897 345265713 /nfs/dbraw/zinc/26/57/13/345265713.db2.gz OXIJPGJDOBKMBU-WDEREUQCSA-N 1 0 292.339 1.345 20 5 CDBDRO COc1ccc(CNC(=O)[C@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000277080019 362622567 /nfs/dbraw/zinc/62/25/67/362622567.db2.gz PZEFXTCSAKFBRM-RKDXNWHRSA-N 1 0 281.312 1.203 20 5 CDBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000029091516 345984462 /nfs/dbraw/zinc/98/44/62/345984462.db2.gz YPVDKKCECASRSO-UHFFFAOYSA-N 1 0 289.335 1.951 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc(CO)o2)cc1 ZINC000610270940 346238539 /nfs/dbraw/zinc/23/85/39/346238539.db2.gz TYAGFPODHUDWKB-UHFFFAOYSA-N 1 0 292.291 1.849 20 5 CDBDRO C[NH+](C)CCO[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000610764471 346399474 /nfs/dbraw/zinc/39/94/74/346399474.db2.gz VMQCNJYNQBZRCP-LLVKDONJSA-N 1 0 280.328 1.147 20 5 CDBDRO C[C@@H]1[C@H](C)N(c2ccc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000611299157 346740968 /nfs/dbraw/zinc/74/09/68/346740968.db2.gz SEQZGPFQGVHSDW-ZJUUUORDSA-N 1 0 250.302 1.519 20 5 CDBDRO Cn1c(C(=O)NCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000344446039 362786950 /nfs/dbraw/zinc/78/69/50/362786950.db2.gz LSORVVYHJPXPBC-UHFFFAOYSA-N 1 0 280.328 1.149 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(c2ncc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000612792255 347281080 /nfs/dbraw/zinc/28/10/80/347281080.db2.gz GBKKBMQOUQCICR-VHSXEESVSA-N 1 0 265.317 1.304 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[C@H]1[NH3+] ZINC000122567207 347659076 /nfs/dbraw/zinc/65/90/76/347659076.db2.gz GLNWDSIZWKIRGC-MWLCHTKSSA-N 1 0 280.328 1.133 20 5 CDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])s2)CC[N@@H+]1CC(C)(C)O ZINC000614832330 348244059 /nfs/dbraw/zinc/24/40/59/348244059.db2.gz QWGGCFWJVYMECP-SNVBAGLBSA-N 1 0 299.396 1.938 20 5 CDBDRO CC[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000029606547 348672056 /nfs/dbraw/zinc/67/20/56/348672056.db2.gz MMZOBKROVJIHLO-UHFFFAOYSA-N 1 0 277.324 1.809 20 5 CDBDRO C[C@H](CNc1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000057838240 348848405 /nfs/dbraw/zinc/84/84/05/348848405.db2.gz XTAVLPYAUWNHDN-LLVKDONJSA-N 1 0 296.346 1.782 20 5 CDBDRO COc1cc(N2C[C@@H](C)[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000104250563 185943856 /nfs/dbraw/zinc/94/38/56/185943856.db2.gz PYAPEERBRXYYPN-AOOOYVTPSA-N 1 0 265.313 1.790 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000062503689 348915690 /nfs/dbraw/zinc/91/56/90/348915690.db2.gz SFSUKIPXXOJOPN-NSHDSACASA-N 1 0 294.355 1.734 20 5 CDBDRO COC[C@@H](O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090950236 180071676 /nfs/dbraw/zinc/07/16/76/180071676.db2.gz AFNWTMZGHKEQAV-MFKMUULPSA-N 1 0 268.313 1.643 20 5 CDBDRO C[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000091300473 180127811 /nfs/dbraw/zinc/12/78/11/180127811.db2.gz WBZWTMIDLNTYJI-ZWNOBZJWSA-N 1 0 293.323 1.151 20 5 CDBDRO O=[N+]([O-])c1cccnc1NCC1CC[NH+](CCO)CC1 ZINC000105791629 186071013 /nfs/dbraw/zinc/07/10/13/186071013.db2.gz SPZHPPSLDXFDJX-UHFFFAOYSA-N 1 0 280.328 1.106 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000092133870 180331676 /nfs/dbraw/zinc/33/16/76/180331676.db2.gz PZSIXOOFKITEEQ-SECBINFHSA-N 1 0 251.286 1.067 20 5 CDBDRO O=C1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCN1 ZINC000111825760 350500414 /nfs/dbraw/zinc/50/04/14/350500414.db2.gz VUZHAAHUMODLDM-NSHDSACASA-N 1 0 263.297 1.353 20 5 CDBDRO Cn1c(C(=O)NCC[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000110791367 186324498 /nfs/dbraw/zinc/32/44/98/186324498.db2.gz UYHDYMQEEGVKTK-SNVBAGLBSA-N 1 0 280.328 1.053 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000110796318 186325048 /nfs/dbraw/zinc/32/50/48/186325048.db2.gz IPAPBNIKNUAACI-LLVKDONJSA-N 1 0 277.324 1.633 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000312860293 350796441 /nfs/dbraw/zinc/79/64/41/350796441.db2.gz QQSRTPDWEAULPP-NSHDSACASA-N 1 0 282.344 1.193 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000111303673 186393624 /nfs/dbraw/zinc/39/36/24/186393624.db2.gz GUFIGCMREYMRGB-SECBINFHSA-N 1 0 251.286 1.370 20 5 CDBDRO CC[C@@](C)(O)C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000111384610 186411070 /nfs/dbraw/zinc/41/10/70/186411070.db2.gz FAXMULHZZPZALA-CYBMUJFWSA-N 1 0 284.312 1.560 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000123745062 351283019 /nfs/dbraw/zinc/28/30/19/351283019.db2.gz XTPIBJDFWJVJLH-GWCFXTLKSA-N 1 0 265.313 1.143 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000124793771 351372471 /nfs/dbraw/zinc/37/24/71/351372471.db2.gz MBCPYZNAOXLQDZ-SFYZADRCSA-N 1 0 269.326 1.608 20 5 CDBDRO CN1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C[NH3+])C1 ZINC000124413747 351348929 /nfs/dbraw/zinc/34/89/29/351348929.db2.gz HWCKQMPXTVXGFC-GFCCVEGCSA-N 1 0 298.774 1.323 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000156126723 351452647 /nfs/dbraw/zinc/45/26/47/351452647.db2.gz PGLXMFMDZSSXHP-VHSXEESVSA-N 1 0 299.352 1.095 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000122331922 187026818 /nfs/dbraw/zinc/02/68/18/187026818.db2.gz VMDJWFTWXRNATN-ZETCQYMHSA-N 1 0 255.299 1.220 20 5 CDBDRO COc1ccc(C(=O)NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000122290279 187024954 /nfs/dbraw/zinc/02/49/54/187024954.db2.gz SFFBOQQYCMKVMX-UHFFFAOYSA-N 1 0 267.285 1.071 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000122452556 187032730 /nfs/dbraw/zinc/03/27/30/187032730.db2.gz UUDYVNCDGHUJFK-ZJUUUORDSA-N 1 0 281.337 1.623 20 5 CDBDRO C[C@H](NC(=O)C(C)(C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000122983936 187064164 /nfs/dbraw/zinc/06/41/64/187064164.db2.gz ZMJUHJOAYYQYCP-VIFPVBQESA-N 1 0 265.313 1.757 20 5 CDBDRO C[N@H+](CCCCNC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CC1 ZINC000454366453 252344801 /nfs/dbraw/zinc/34/48/01/252344801.db2.gz VNDFXJTWFFUWBV-UHFFFAOYSA-N 1 0 280.328 1.527 20 5 CDBDRO O=[N+]([O-])c1cn(CC[N@@H+]2CCCOCC2)nc1C1CC1 ZINC000413006208 363101221 /nfs/dbraw/zinc/10/12/21/363101221.db2.gz OCTTTXBUFXYXKQ-UHFFFAOYSA-N 1 0 280.328 1.391 20 5 CDBDRO COc1ccc(NC(=O)C2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000136478471 363111392 /nfs/dbraw/zinc/11/13/92/363111392.db2.gz HDVUXKRRFVMXHA-UHFFFAOYSA-N 1 0 265.269 1.423 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000133592274 187694409 /nfs/dbraw/zinc/69/44/09/187694409.db2.gz VOOUDPRHBGHBNI-SNVBAGLBSA-N 1 0 263.297 1.243 20 5 CDBDRO C[C@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000572992573 363201373 /nfs/dbraw/zinc/20/13/73/363201373.db2.gz SEPODAPLIJDUCD-SNVBAGLBSA-N 1 0 286.353 1.160 20 5 CDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000157957903 188349203 /nfs/dbraw/zinc/34/92/03/188349203.db2.gz ZFINLTQZHZTIBC-JTQLQIEISA-N 1 0 292.339 1.224 20 5 CDBDRO CC(C)([NH3+])CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000236608121 363270222 /nfs/dbraw/zinc/27/02/22/363270222.db2.gz TWPMTFVXUWHWMD-UHFFFAOYSA-N 1 0 285.731 1.644 20 5 CDBDRO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000036932561 363293388 /nfs/dbraw/zinc/29/33/88/363293388.db2.gz HRBJMJIUIWMAON-OLZOCXBDSA-N 1 0 293.367 1.966 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000094339279 366173394 /nfs/dbraw/zinc/17/33/94/366173394.db2.gz YFIHISNWFYOHTK-PWSUYJOCSA-N 1 0 277.324 1.713 20 5 CDBDRO Cc1c(C[NH2+][C@@H](CO)[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000411998521 363402832 /nfs/dbraw/zinc/40/28/32/363402832.db2.gz WGPWZOQRPKFKPK-KBPBESRZSA-N 1 0 294.351 1.780 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NCC1=CC[N@H+](C)CC1 ZINC000271884903 191389724 /nfs/dbraw/zinc/38/97/24/191389724.db2.gz VWJHICILJRGLNQ-UHFFFAOYSA-N 1 0 251.290 1.002 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000097497597 356170219 /nfs/dbraw/zinc/17/02/19/356170219.db2.gz UGLRJXRTTLTQSU-UHFFFAOYSA-N 1 0 281.287 1.512 20 5 CDBDRO [NH3+]CCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000336788530 356261975 /nfs/dbraw/zinc/26/19/75/356261975.db2.gz HHRQDUPAGNCQPE-UHFFFAOYSA-N 1 0 252.274 1.455 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000164881268 356304651 /nfs/dbraw/zinc/30/46/51/356304651.db2.gz ZXYSMKOEJQXTSC-VIFPVBQESA-N 1 0 267.285 1.071 20 5 CDBDRO COC(=O)COC[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000295475055 291098388 /nfs/dbraw/zinc/09/83/88/291098388.db2.gz RUJJBFWKZOCRPF-WDEREUQCSA-N 1 0 296.323 1.824 20 5 CDBDRO CC[C@H]([NH2+][C@H](CO)COC)c1cccc([N+](=O)[O-])c1 ZINC000234034983 356693346 /nfs/dbraw/zinc/69/33/46/356693346.db2.gz GTRQTUVPCDAPDC-YPMHNXCESA-N 1 0 268.313 1.643 20 5 CDBDRO CC(C)C[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)[NH+](C)C ZINC000048555617 357190576 /nfs/dbraw/zinc/19/05/76/357190576.db2.gz PITAZZSDCSTITG-VIFPVBQESA-N 1 0 282.348 1.355 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000379677956 357213680 /nfs/dbraw/zinc/21/36/80/357213680.db2.gz QSYOJIADDBHLBI-TVRMLOFPSA-N 1 0 277.324 1.580 20 5 CDBDRO C[C@@H](CNc1c([N+](=O)[O-])ncn1C)C[NH+]1CCCC1 ZINC000107832596 357366655 /nfs/dbraw/zinc/36/66/55/357366655.db2.gz KQQUYCHISFLIQD-JTQLQIEISA-N 1 0 267.333 1.472 20 5 CDBDRO CCOCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665285 357386199 /nfs/dbraw/zinc/38/61/99/357386199.db2.gz CNMBWPRGLOIVEO-LLVKDONJSA-N 1 0 280.328 1.513 20 5 CDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000181887886 357388036 /nfs/dbraw/zinc/38/80/36/357388036.db2.gz KPFHOKPLAOQERZ-NSHDSACASA-N 1 0 298.339 1.037 20 5 CDBDRO CN(CCCN1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000264597822 357400185 /nfs/dbraw/zinc/40/01/85/357400185.db2.gz AKFBQGZAWCORQO-UHFFFAOYSA-N 1 0 293.371 1.064 20 5 CDBDRO C[NH2+]CCSCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000566184715 357426586 /nfs/dbraw/zinc/42/65/86/357426586.db2.gz UDWNMFKOTHXEKU-UHFFFAOYSA-N 1 0 283.353 1.510 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185071778 357505942 /nfs/dbraw/zinc/50/59/42/357505942.db2.gz JXTXZHKBTWTJJF-HONMWMINSA-N 1 0 289.335 1.713 20 5 CDBDRO CC[NH+]1CCN(c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000185079845 357506675 /nfs/dbraw/zinc/50/66/75/357506675.db2.gz IMXNNSXSRLLUBT-UHFFFAOYSA-N 1 0 265.313 1.745 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135238790 357802557 /nfs/dbraw/zinc/80/25/57/357802557.db2.gz OKQLRJQIATVVRD-KCJUWKMLSA-N 1 0 281.287 1.591 20 5 CDBDRO Cc1cc(C(=O)N2CC[NH2+]CC2(C)C)cc([N+](=O)[O-])c1 ZINC000135241284 357805393 /nfs/dbraw/zinc/80/53/93/357805393.db2.gz KIJNKCSAGKWASO-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO CSC[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000188217865 357861117 /nfs/dbraw/zinc/86/11/17/357861117.db2.gz AEJMJBCGNPJMSR-JOYOIKCWSA-N 1 0 270.354 1.969 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000264665956 357917443 /nfs/dbraw/zinc/91/74/43/357917443.db2.gz KIPOPJRBCQXGJD-WXJAXGNASA-N 1 0 289.335 1.676 20 5 CDBDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000193566738 358303973 /nfs/dbraw/zinc/30/39/73/358303973.db2.gz JFQSYFIOGOAKBG-CABZTGNLSA-N 1 0 263.297 1.209 20 5 CDBDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000193700313 358317444 /nfs/dbraw/zinc/31/74/44/358317444.db2.gz JWEWPGKSIVWPNH-LNTXQQRLSA-N 1 0 289.335 1.722 20 5 CDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCCO ZINC000194216092 358351192 /nfs/dbraw/zinc/35/11/92/358351192.db2.gz FDUSIOHXYVCVSI-LLVKDONJSA-N 1 0 295.339 1.674 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH+](C)C ZINC000287244320 358351158 /nfs/dbraw/zinc/35/11/58/358351158.db2.gz QILOLMCGOMZNAZ-JTQLQIEISA-N 1 0 265.313 1.583 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195273002 358424513 /nfs/dbraw/zinc/42/45/13/358424513.db2.gz VGOJXYLNAXBXCR-BETUJISGSA-N 1 0 289.335 1.205 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000186750315 358821677 /nfs/dbraw/zinc/82/16/77/358821677.db2.gz UHXLMRLKGQCUCK-JQWIXIFHSA-N 1 0 277.324 1.252 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000262439354 358824249 /nfs/dbraw/zinc/82/42/49/358824249.db2.gz HHWGCDPDEVMKMQ-SNVBAGLBSA-N 1 0 280.328 1.121 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000186789276 358824662 /nfs/dbraw/zinc/82/46/62/358824662.db2.gz WSAVPGAZPGZNJW-IONNQARKSA-N 1 0 269.326 1.384 20 5 CDBDRO C[C@H](C[NH3+])C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000262557134 358846763 /nfs/dbraw/zinc/84/67/63/358846763.db2.gz PTFYKNFCPMYVNW-SECBINFHSA-N 1 0 265.313 1.541 20 5 CDBDRO CC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000014523616 359045555 /nfs/dbraw/zinc/04/55/55/359045555.db2.gz VLBKKVREFIJSEC-UHFFFAOYSA-N 1 0 277.324 1.809 20 5 CDBDRO CC[C@]1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000274663971 192712480 /nfs/dbraw/zinc/71/24/80/192712480.db2.gz WWHVOCZISZZNEQ-OAHLLOKOSA-N 1 0 291.351 1.786 20 5 CDBDRO CO[C@]1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCOC1 ZINC000573814183 359068452 /nfs/dbraw/zinc/06/84/52/359068452.db2.gz CAYRJPZKSOFJAQ-ZFWWWQNUSA-N 1 0 292.335 1.977 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365374550 359382155 /nfs/dbraw/zinc/38/21/55/359382155.db2.gz MYYXXEISZHLOER-PSASIEDQSA-N 1 0 281.337 1.480 20 5 CDBDRO Cc1nc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ncc1[N+](=O)[O-] ZINC000296667984 199965050 /nfs/dbraw/zinc/96/50/50/199965050.db2.gz ZAWOXUSHDWDIAZ-MNOVXSKESA-N 1 0 277.328 1.732 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000339804510 359449235 /nfs/dbraw/zinc/44/92/35/359449235.db2.gz QTZHBWPVTMICSO-SNVBAGLBSA-N 1 0 282.344 1.393 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000154180265 237030008 /nfs/dbraw/zinc/03/00/08/237030008.db2.gz BBIFWOZORYEGJW-AOOOYVTPSA-N 1 0 293.323 1.426 20 5 CDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000347773944 359604798 /nfs/dbraw/zinc/60/47/98/359604798.db2.gz HLZJKYXCTAHRCS-NSHDSACASA-N 1 0 294.355 1.538 20 5 CDBDRO CC[C@@H]1CN(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000487193959 359637903 /nfs/dbraw/zinc/63/79/03/359637903.db2.gz NUACOJUZSCBMJZ-OAHLLOKOSA-N 1 0 293.367 1.795 20 5 CDBDRO COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000351794655 359833450 /nfs/dbraw/zinc/83/34/50/359833450.db2.gz FGKOJNBXVLNQLB-BXKDBHETSA-N 1 0 266.297 1.416 20 5 CDBDRO CC1(C)CC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000572175138 359965172 /nfs/dbraw/zinc/96/51/72/359965172.db2.gz ACKYMGHDLKBPCT-LLVKDONJSA-N 1 0 265.313 1.535 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000089091438 283516392 /nfs/dbraw/zinc/51/63/92/283516392.db2.gz KMHVDCRDACQAFO-LDYMZIIASA-N 1 0 281.287 1.591 20 5 CDBDRO C[C@H]([NH3+])CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000138074235 360118629 /nfs/dbraw/zinc/11/86/29/360118629.db2.gz NRUXURGDSDBUQA-QMMMGPOBSA-N 1 0 287.341 1.148 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000235441741 360121238 /nfs/dbraw/zinc/12/12/38/360121238.db2.gz VRJZFRWGWMGQFV-GHMZBOCLSA-N 1 0 277.324 1.774 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1=CC[NH2+]CC1 ZINC000169275139 360201485 /nfs/dbraw/zinc/20/14/85/360201485.db2.gz OBYNOHSSRSMMEK-UHFFFAOYSA-N 1 0 275.308 1.553 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@]2(O)CCSC2)cc1 ZINC000176751140 189007367 /nfs/dbraw/zinc/00/73/67/189007367.db2.gz QZQOCZHSQDZGMW-GFCCVEGCSA-N 1 0 268.338 1.552 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418228610 283540872 /nfs/dbraw/zinc/54/08/72/283540872.db2.gz FCRWAIJHBSURKV-MNOVXSKESA-N 1 0 294.355 1.811 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC000262774444 360315585 /nfs/dbraw/zinc/31/55/85/360315585.db2.gz BOPMSUURWCVARR-MWLCHTKSSA-N 1 0 295.314 1.913 20 5 CDBDRO COCC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000054361586 360645167 /nfs/dbraw/zinc/64/51/67/360645167.db2.gz APHCOMPYGUSOLN-UHFFFAOYSA-N 1 0 254.286 1.552 20 5 CDBDRO Cc1nc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000297205757 360626034 /nfs/dbraw/zinc/62/60/34/360626034.db2.gz RRYUXWIGJWKVOD-GXSJLCMTSA-N 1 0 277.328 1.366 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000178393007 189112602 /nfs/dbraw/zinc/11/26/02/189112602.db2.gz VGIKNKOPLIKAHW-MRVPVSSYSA-N 1 0 283.715 1.730 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC[NH2+]1 ZINC000238067378 360717970 /nfs/dbraw/zinc/71/79/70/360717970.db2.gz URBLZBLQRBTCRL-ZDUSSCGKSA-N 1 0 291.351 1.786 20 5 CDBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC(F)C1 ZINC000345573847 361196992 /nfs/dbraw/zinc/19/69/92/361196992.db2.gz RCJMBNZIDQQNNQ-UHFFFAOYSA-N 1 0 290.254 1.574 20 5 CDBDRO COc1ccc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000382422752 361351620 /nfs/dbraw/zinc/35/16/20/361351620.db2.gz CKJVTOQJRADATP-MWLCHTKSSA-N 1 0 293.323 1.461 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000519529538 361377584 /nfs/dbraw/zinc/37/75/84/361377584.db2.gz FIUVFPKTJQRLBQ-ZYHUDNBSSA-N 1 0 292.339 1.474 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@@H]2COCCO2)cc1[N+](=O)[O-] ZINC000037998138 361524445 /nfs/dbraw/zinc/52/44/45/361524445.db2.gz QBIRHPOFOWWXRS-GFCCVEGCSA-N 1 0 266.297 1.408 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H](O)C2)c1 ZINC000269711992 239000859 /nfs/dbraw/zinc/00/08/59/239000859.db2.gz PXZRGBIXEUMUCZ-STQMWFEESA-N 1 0 266.297 1.085 20 5 CDBDRO CC[N@H+](C)C[C@@H](O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000580752618 363942759 /nfs/dbraw/zinc/94/27/59/363942759.db2.gz FWEIQODSCLGMHJ-CYBMUJFWSA-N 1 0 281.356 1.339 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCCF)C2)nc1 ZINC000137513358 363996318 /nfs/dbraw/zinc/99/63/18/363996318.db2.gz HKILZZPNEWTQJU-JTQLQIEISA-N 1 0 268.292 1.836 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[NH2+]CC1 ZINC000237189874 364189865 /nfs/dbraw/zinc/18/98/65/364189865.db2.gz BPVXLZUGQCFUQT-UHFFFAOYSA-N 1 0 279.296 1.039 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]([NH3+])C(C)C)c1 ZINC000088147804 364263137 /nfs/dbraw/zinc/26/31/37/364263137.db2.gz VXLODWHBWZLPCH-LLVKDONJSA-N 1 0 265.313 1.616 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268199326 364443074 /nfs/dbraw/zinc/44/30/74/364443074.db2.gz OJIVUHPFYIYKLB-YGRLFVJLSA-N 1 0 289.335 1.807 20 5 CDBDRO C[NH+](C)[C@@H]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000170863079 364416376 /nfs/dbraw/zinc/41/63/76/364416376.db2.gz IYMWEFCPKMBCND-PSKZRQQASA-N 1 0 289.335 1.771 20 5 CDBDRO CC[NH+](CC)[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174880368 364587615 /nfs/dbraw/zinc/58/76/15/364587615.db2.gz DAUXOJKBUMOOKZ-LBPRGKRZSA-N 1 0 281.360 1.207 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]([NH3+])C2CC2)c1 ZINC000137293451 364715294 /nfs/dbraw/zinc/71/52/94/364715294.db2.gz GZPOHMSJSIRVFX-LLVKDONJSA-N 1 0 279.296 1.071 20 5 CDBDRO CC[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000270917008 366944580 /nfs/dbraw/zinc/94/45/80/366944580.db2.gz OPDNTQNYJCBAGI-DGCLKSJQSA-N 1 0 280.324 1.676 20 5 CDBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2cc([N+](=O)[O-])cnc2N)n1 ZINC000414624983 241281456 /nfs/dbraw/zinc/28/14/56/241281456.db2.gz OYQCEHXSNXSTOV-SECBINFHSA-N 1 0 292.299 1.668 20 5 CDBDRO Cc1ccc(CNC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000414789907 241387026 /nfs/dbraw/zinc/38/70/26/241387026.db2.gz GAJZPCQSJKTCMK-GFCCVEGCSA-N 1 0 251.330 1.976 20 5 CDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@H](C)C1 ZINC000420334575 244101064 /nfs/dbraw/zinc/10/10/64/244101064.db2.gz IZHUMQMHIXXBPV-MNOVXSKESA-N 1 0 292.339 1.216 20 5 CDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330703038 203134106 /nfs/dbraw/zinc/13/41/06/203134106.db2.gz PJLNUIHVIAYVDW-SNVBAGLBSA-N 1 0 280.328 1.527 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000420374429 244167276 /nfs/dbraw/zinc/16/72/76/244167276.db2.gz RZGUHYHJYNDOOJ-JMSVASOKSA-N 1 0 293.367 1.950 20 5 CDBDRO C[NH2+]CCCN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000420383097 244180871 /nfs/dbraw/zinc/18/08/71/244180871.db2.gz BIOATMKEIRKCFE-NSHDSACASA-N 1 0 294.355 1.463 20 5 CDBDRO Cc1cc(C(=O)N2CCNC[C@@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000295197931 369619987 /nfs/dbraw/zinc/61/99/87/369619987.db2.gz JVZSRPIGIVUVAO-CQSZACIVSA-N 1 0 295.314 1.677 20 5 CDBDRO [NH3+]CCN(CCO)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000414913166 370103183 /nfs/dbraw/zinc/10/31/83/370103183.db2.gz LTVZQHPRUXBEDA-UHFFFAOYSA-N 1 0 273.720 1.001 20 5 CDBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000441389035 370274680 /nfs/dbraw/zinc/27/46/80/370274680.db2.gz VPOMGPJJNDZPHG-LBPRGKRZSA-N 1 0 268.317 1.027 20 5 CDBDRO C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000094340665 139694914 /nfs/dbraw/zinc/69/49/14/139694914.db2.gz HTXRVURZGYIMJB-JOYOIKCWSA-N 1 0 278.312 1.796 20 5 CDBDRO O=[N+]([O-])c1ccc(CN[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000414882457 371017129 /nfs/dbraw/zinc/01/71/29/371017129.db2.gz MNPXINDGQLRZAE-VIFPVBQESA-N 1 0 255.705 1.700 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000422765158 245228755 /nfs/dbraw/zinc/22/87/55/245228755.db2.gz KOLQXEKGKNKMJA-LBPRGKRZSA-N 1 0 291.351 1.941 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000422778389 245245713 /nfs/dbraw/zinc/24/57/13/245245713.db2.gz HIYPJWRFVQTQJX-VIFPVBQESA-N 1 0 288.307 1.610 20 5 CDBDRO COC[C@@]1(CNCc2csc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000414948314 371146811 /nfs/dbraw/zinc/14/68/11/371146811.db2.gz XBCRIMZVXQVUCJ-LBPRGKRZSA-N 1 0 285.369 1.515 20 5 CDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)CC[C@H]([NH3+])C(C)C)n1 ZINC000422895902 245380963 /nfs/dbraw/zinc/38/09/63/245380963.db2.gz GSQDHVHIATZHDD-JTQLQIEISA-N 1 0 297.359 1.257 20 5 CDBDRO CC[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000344633363 371264302 /nfs/dbraw/zinc/26/43/02/371264302.db2.gz JEXBSWQSRZIYKT-UHFFFAOYSA-N 1 0 294.355 1.490 20 5 CDBDRO CC[C@@H]([NH3+])C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810250 373401242 /nfs/dbraw/zinc/40/12/42/373401242.db2.gz DQJUDCYURCTITF-SNVBAGLBSA-N 1 0 251.286 1.291 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091673201 374098920 /nfs/dbraw/zinc/09/89/20/374098920.db2.gz JTAAALWNTXBIPQ-DGCLKSJQSA-N 1 0 292.339 1.573 20 5 CDBDRO CC[N@H+](CCCO)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000266605899 374221169 /nfs/dbraw/zinc/22/11/69/374221169.db2.gz YLAWZLWJRJSGOJ-UHFFFAOYSA-N 1 0 296.323 1.666 20 5 CDBDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000113350260 374252378 /nfs/dbraw/zinc/25/23/78/374252378.db2.gz ZIICEBSDLVEKJM-JTQLQIEISA-N 1 0 286.353 1.508 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417765962 374253565 /nfs/dbraw/zinc/25/35/65/374253565.db2.gz OYZLIJGFZJVRLV-SNVBAGLBSA-N 1 0 280.328 1.126 20 5 CDBDRO O=[N+]([O-])c1cc2ccccc2nc1NC[C@@H]1CCC[NH2+]1 ZINC000420166943 374290862 /nfs/dbraw/zinc/29/08/62/374290862.db2.gz QPYKRPXSQHHZRW-NSHDSACASA-N 1 0 272.308 1.729 20 5 CDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000299043795 374323831 /nfs/dbraw/zinc/32/38/31/374323831.db2.gz SAAZLUXQBFDMPU-GHMZBOCLSA-N 1 0 294.355 1.773 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](OCC3CC3)C2)n1 ZINC000368791506 374328562 /nfs/dbraw/zinc/32/85/62/374328562.db2.gz LAMHOXGDWZEKGU-ZDUSSCGKSA-N 1 0 294.355 1.682 20 5 CDBDRO CN(CC(C)(C)C[NH3+])C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000093873557 374376957 /nfs/dbraw/zinc/37/69/57/374376957.db2.gz FWJUDWKPJOQNAA-UHFFFAOYSA-N 1 0 283.303 1.791 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NCC[NH+]2CCC(O)CC2)n1 ZINC000296169176 374414265 /nfs/dbraw/zinc/41/42/65/374414265.db2.gz ZIKUCUUYKCZWNC-UHFFFAOYSA-N 1 0 280.328 1.167 20 5 CDBDRO CC[C@@H](COC)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000079762247 374424515 /nfs/dbraw/zinc/42/45/15/374424515.db2.gz ZLBYHPZUVYRKGR-NSHDSACASA-N 1 0 268.313 1.988 20 5 CDBDRO C[C@H]1CC(=O)NCCN1Cc1ccccc1[N+](=O)[O-] ZINC000375840712 374517646 /nfs/dbraw/zinc/51/76/46/374517646.db2.gz MEYMWJVSAOQDCE-JTQLQIEISA-N 1 0 263.297 1.305 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000377481493 374603378 /nfs/dbraw/zinc/60/33/78/374603378.db2.gz LJABIUVAEWUZAN-JTQLQIEISA-N 1 0 295.364 1.967 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000070078499 374646280 /nfs/dbraw/zinc/64/62/80/374646280.db2.gz IMGQZZYXRDFGNG-QWRGUYRKSA-N 1 0 279.340 1.786 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]1C[NH3+] ZINC000070176556 374655922 /nfs/dbraw/zinc/65/59/22/374655922.db2.gz OZLWFSTUUQXBPR-SCZZXKLOSA-N 1 0 266.301 1.122 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1C[NH3+] ZINC000070176311 374656308 /nfs/dbraw/zinc/65/63/08/374656308.db2.gz KZXZVUNTYHMAFD-GZMMTYOYSA-N 1 0 266.301 1.122 20 5 CDBDRO COc1ccc(C[NH2+][C@H](CO)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000447923832 374723872 /nfs/dbraw/zinc/72/38/72/374723872.db2.gz UIIUAFNQIALHJO-YPMHNXCESA-N 1 0 296.323 1.233 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000447975866 374728794 /nfs/dbraw/zinc/72/87/94/374728794.db2.gz IGSAVUXNMSEEMZ-ROAXPNGRSA-N 1 0 292.335 1.738 20 5 CDBDRO C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000330571924 374865731 /nfs/dbraw/zinc/86/57/31/374865731.db2.gz DFQQCMJQDHVNAP-NEPJUHHUSA-N 1 0 291.351 1.688 20 5 CDBDRO C[S@](=O)C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000280698063 375013891 /nfs/dbraw/zinc/01/38/91/375013891.db2.gz SEQBIIZSCOWREH-IBGZPJMESA-N 1 0 282.365 1.986 20 5 CDBDRO CN(CCc1cccc([N+](=O)[O-])c1)Cc1cnnn1C ZINC000283022360 375108971 /nfs/dbraw/zinc/10/89/71/375108971.db2.gz MIEPPMRXWOZMSO-UHFFFAOYSA-N 1 0 275.312 1.398 20 5 CDBDRO COc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000161846424 375191678 /nfs/dbraw/zinc/19/16/78/375191678.db2.gz ALZJYNJUFXAFQQ-MNOVXSKESA-N 1 0 293.323 1.603 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000161849668 375193785 /nfs/dbraw/zinc/19/37/85/375193785.db2.gz AZQMKENFIXPFKO-VXGBXAGGSA-N 1 0 277.324 1.523 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000351910454 375341251 /nfs/dbraw/zinc/34/12/51/375341251.db2.gz RZKNMHWGHDSFLD-GXFFZTMASA-N 1 0 277.324 1.866 20 5 CDBDRO CCOC[C@H](O)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344818118 375527142 /nfs/dbraw/zinc/52/71/42/375527142.db2.gz FCPQSPJMOPEZMB-WASHYIJTSA-N 1 0 294.351 1.985 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132791946 375593533 /nfs/dbraw/zinc/59/35/33/375593533.db2.gz SECCOVLCHHRBMD-RNCFNFMXSA-N 1 0 295.314 1.981 20 5 CDBDRO COC[C@@H](CCO)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344884248 375634523 /nfs/dbraw/zinc/63/45/23/375634523.db2.gz YMCZRFQXUWVAKM-CEFACKQISA-N 1 0 294.351 1.985 20 5 CDBDRO C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])cn2)CCC[N@@H+]1C ZINC000354558232 375726083 /nfs/dbraw/zinc/72/60/83/375726083.db2.gz ASFWUQQBEMYNRY-PSASIEDQSA-N 1 0 251.290 1.279 20 5 CDBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000356787997 375861259 /nfs/dbraw/zinc/86/12/59/375861259.db2.gz XDBRSXHAPAVOLX-NSHDSACASA-N 1 0 297.359 1.026 20 5 CDBDRO CC(C)(CS(C)(=O)=O)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000358255187 375958542 /nfs/dbraw/zinc/95/85/42/375958542.db2.gz LDYUYKMVAORDHK-UHFFFAOYSA-N 1 0 286.353 1.508 20 5 CDBDRO COC[C@H](CC(C)C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000358322214 375959040 /nfs/dbraw/zinc/95/90/40/375959040.db2.gz SOPMKEGUQGXXED-NSHDSACASA-N 1 0 270.333 1.442 20 5 CDBDRO CSC1(CNc2c([N+](=O)[O-])ncn2C)CC[NH+](C)CC1 ZINC000357586454 375919062 /nfs/dbraw/zinc/91/90/62/375919062.db2.gz YCUJGCAGZIZZKH-UHFFFAOYSA-N 1 0 299.400 1.568 20 5 CDBDRO O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000369894238 284586044 /nfs/dbraw/zinc/58/60/44/284586044.db2.gz VCAWVVPCKKLQLW-IUODEOHRSA-N 1 0 287.319 1.484 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000189306712 377229290 /nfs/dbraw/zinc/22/92/90/377229290.db2.gz YOQBBTCIYZJXFH-MFKMUULPSA-N 1 0 277.324 1.774 20 5 CDBDRO Cc1ccc(NC(=O)C[NH2+]C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000232740211 377235979 /nfs/dbraw/zinc/23/59/79/377235979.db2.gz AGSSLXFNDQFKHK-LBPRGKRZSA-N 1 0 293.323 1.610 20 5 CDBDRO CCCC[N@H+](C)CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445003286 250202683 /nfs/dbraw/zinc/20/26/83/250202683.db2.gz FZQPJJFICBKNCX-UHFFFAOYSA-N 1 0 296.327 1.157 20 5 CDBDRO O=[N+]([O-])c1cc(CN2CC[C@@H](N3CCOCC3)C2)cs1 ZINC000173936766 379345571 /nfs/dbraw/zinc/34/55/71/379345571.db2.gz QFVMLBAIHOJOOM-GFCCVEGCSA-N 1 0 297.380 1.563 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+](C)CC1 ZINC000288080865 197000506 /nfs/dbraw/zinc/00/05/06/197000506.db2.gz HSKDTQMNOVENDT-UHFFFAOYSA-N 1 0 267.333 1.626 20 5 CDBDRO NC(=O)C[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000175228573 379669961 /nfs/dbraw/zinc/66/99/61/379669961.db2.gz OKTGFDWPQBVSPP-LLVKDONJSA-N 1 0 277.324 1.682 20 5 CDBDRO CC[N@@H+]1CCC[C@H](Nc2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000450268697 251201885 /nfs/dbraw/zinc/20/18/85/251201885.db2.gz HYXLGXIOJZSCSA-JTQLQIEISA-N 1 0 265.317 1.589 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+]2CCCO)c(F)c1 ZINC000450593446 251355510 /nfs/dbraw/zinc/35/55/10/251355510.db2.gz IMROFVBELMLHRV-GFCCVEGCSA-N 1 0 297.330 1.993 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000382453986 412953938 /nfs/dbraw/zinc/95/39/38/412953938.db2.gz HQVUVLWQJKDLRX-RYUDHWBXSA-N 1 0 277.324 1.381 20 5 CDBDRO [NH3+]CCCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000040808902 184547980 /nfs/dbraw/zinc/54/79/80/184547980.db2.gz YHIVFURWGYJBJZ-UHFFFAOYSA-N 1 0 271.704 1.717 20 5 CDBDRO CO[C@H]1COC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000289409586 197333054 /nfs/dbraw/zinc/33/30/54/197333054.db2.gz ACRNSJRFUJUEHI-STQMWFEESA-N 1 0 266.297 1.407 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000493916905 253583912 /nfs/dbraw/zinc/58/39/12/253583912.db2.gz NSZNNKGQVRKTBQ-IUCAKERBSA-N 1 0 281.312 1.203 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261633238 285156442 /nfs/dbraw/zinc/15/64/42/285156442.db2.gz WDWBQAVVOOZTDA-ONGXEEELSA-N 1 0 265.288 1.922 20 5 CDBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000298725445 285163793 /nfs/dbraw/zinc/16/37/93/285163793.db2.gz MKSMMPQGNJZKOB-CYBMUJFWSA-N 1 0 291.351 1.753 20 5 CDBDRO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000288607672 197125809 /nfs/dbraw/zinc/12/58/09/197125809.db2.gz OUWBARWCPWFMJD-SNVBAGLBSA-N 1 0 295.295 1.122 20 5 CDBDRO COc1cc(C[NH2+]CC2=CCCOC2)c([N+](=O)[O-])cc1O ZINC000288462813 197084831 /nfs/dbraw/zinc/08/48/31/197084831.db2.gz ODRPNCHHIYLGPS-UHFFFAOYSA-N 1 0 294.307 1.745 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000394576901 390187286 /nfs/dbraw/zinc/18/72/86/390187286.db2.gz WRIBWJQBFYFCEG-RNFRBKRXSA-N 1 0 255.249 1.199 20 5 CDBDRO COC1([C@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)CCC1 ZINC000412029154 390684149 /nfs/dbraw/zinc/68/41/49/390684149.db2.gz XTINVTOSOUZJKH-VIFPVBQESA-N 1 0 268.317 1.376 20 5 CDBDRO C[NH2+]C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000179134359 390943747 /nfs/dbraw/zinc/94/37/47/390943747.db2.gz MNULEPPQDBVARY-QPJJXVBHSA-N 1 0 289.335 1.818 20 5 CDBDRO CNc1c(C(=O)NCC(C)(C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000161471096 390965117 /nfs/dbraw/zinc/96/51/17/390965117.db2.gz CQCGWZTZNPECFU-UHFFFAOYSA-N 1 0 294.355 1.707 20 5 CDBDRO C[C@@H]1CCC(C)(C)[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000452013651 390977778 /nfs/dbraw/zinc/97/77/78/390977778.db2.gz SWFINNUHMOOVHQ-PWSUYJOCSA-N 1 0 282.344 1.415 20 5 CDBDRO CCO[C@@H]1C[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000574144005 391064432 /nfs/dbraw/zinc/06/44/32/391064432.db2.gz LEGNXVHMVAZDTE-GXFFZTMASA-N 1 0 266.297 1.870 20 5 CDBDRO C[NH2+]C1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000314005854 391115640 /nfs/dbraw/zinc/11/56/40/391115640.db2.gz MRSLQZZVMGHNOQ-SREVYHEPSA-N 1 0 289.335 1.818 20 5 CDBDRO CCC1([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000394560248 391141739 /nfs/dbraw/zinc/14/17/39/391141739.db2.gz HQLYPBJPSIAGEW-GFCCVEGCSA-N 1 0 282.344 1.465 20 5 CDBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000264716626 391331730 /nfs/dbraw/zinc/33/17/30/391331730.db2.gz HCZRNMBUOVPWGS-UHFFFAOYSA-N 1 0 291.311 1.663 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000268152331 391285710 /nfs/dbraw/zinc/28/57/10/391285710.db2.gz MYDWIOGWVOJPOV-PSASIEDQSA-N 1 0 265.317 1.223 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])C1CCCC1 ZINC000415391270 391396721 /nfs/dbraw/zinc/39/67/21/391396721.db2.gz VZUOWLZICRHHMO-LLVKDONJSA-N 1 0 293.327 1.051 20 5 CDBDRO CC(C)([NH3+])CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000574297159 391429826 /nfs/dbraw/zinc/42/98/26/391429826.db2.gz KVNLDIKVZJLRGM-UHFFFAOYSA-N 1 0 296.327 1.010 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000269274670 391647286 /nfs/dbraw/zinc/64/72/86/391647286.db2.gz NXSFMKAICQEEBI-NSHDSACASA-N 1 0 294.355 1.131 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000053253466 391709953 /nfs/dbraw/zinc/70/99/53/391709953.db2.gz JNUZEAXKVFOHOS-SECBINFHSA-N 1 0 283.715 1.730 20 5 CDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1(CO)CCOCC1 ZINC000191013957 130171614 /nfs/dbraw/zinc/17/16/14/130171614.db2.gz YEBSJQWKVPPXLC-UHFFFAOYSA-N 1 0 294.351 1.611 20 5 CDBDRO O=C(CC1CC[NH2+]CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000238146417 392082188 /nfs/dbraw/zinc/08/21/88/392082188.db2.gz UBIBWVKOVIDERO-UHFFFAOYSA-N 1 0 263.297 1.923 20 5 CDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)[C@H]2C1 ZINC000272557607 392061401 /nfs/dbraw/zinc/06/14/01/392061401.db2.gz TZYRPQQLIUYGFE-UWVGGRQHSA-N 1 0 279.296 1.354 20 5 CDBDRO Cc1nn(C)c(NC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000194090054 392126458 /nfs/dbraw/zinc/12/64/58/392126458.db2.gz UFEDUHKKYSBKDC-UHFFFAOYSA-N 1 0 293.371 1.923 20 5 CDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000236641883 130964136 /nfs/dbraw/zinc/96/41/36/130964136.db2.gz NAPUTFSYYXUMBN-AWEZNQCLSA-N 1 0 295.339 1.463 20 5 CDBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1N)C1CC[NH2+]CC1 ZINC000237100701 131003857 /nfs/dbraw/zinc/00/38/57/131003857.db2.gz IQBKMHUPUIJUOP-UHFFFAOYSA-N 1 0 278.312 1.001 20 5 CDBDRO C[NH2+]CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000237381922 131026674 /nfs/dbraw/zinc/02/66/74/131026674.db2.gz BJLBOLXASARLHQ-UHFFFAOYSA-N 1 0 280.328 1.123 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)C(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000237481217 131035340 /nfs/dbraw/zinc/03/53/40/131035340.db2.gz WPHYWFWNSJHIFD-SECBINFHSA-N 1 0 265.313 1.818 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261593273 131155310 /nfs/dbraw/zinc/15/53/10/131155310.db2.gz MWLOHVOZAXXTQH-BDAKNGLRSA-N 1 0 281.337 1.480 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261680899 131161560 /nfs/dbraw/zinc/16/15/60/131161560.db2.gz MKFLDASYCFMCJG-FZMZJTMJSA-N 1 0 289.335 1.727 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261690663 131162225 /nfs/dbraw/zinc/16/22/25/131162225.db2.gz NGJDMLSMXUXLDA-TZMCWYRMSA-N 1 0 289.335 1.348 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261754298 131167274 /nfs/dbraw/zinc/16/72/74/131167274.db2.gz NDECUKIQMYKOHW-YPMHNXCESA-N 1 0 275.308 1.419 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000261768240 131168056 /nfs/dbraw/zinc/16/80/56/131168056.db2.gz VPISRVNCOMFZNB-CHWSQXEVSA-N 1 0 289.335 1.727 20 5 CDBDRO CN(CC(C)(C)C[NH3+])C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000261988348 131181377 /nfs/dbraw/zinc/18/13/77/131181377.db2.gz KUXFAXDNDXWRQR-UHFFFAOYSA-N 1 0 281.312 1.357 20 5 CDBDRO O=C(NC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000262140487 131193427 /nfs/dbraw/zinc/19/34/27/131193427.db2.gz KAQAOQFNFDKZHS-UHFFFAOYSA-N 1 0 283.715 1.730 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000262856839 131268545 /nfs/dbraw/zinc/26/85/45/131268545.db2.gz SYSRUJKZCQGUJE-SKDRFNHKSA-N 1 0 263.297 1.323 20 5 CDBDRO O=C(C[C@H]1CC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000129296835 392802415 /nfs/dbraw/zinc/80/24/15/392802415.db2.gz DPLZUQJSYZXYSV-LLVKDONJSA-N 1 0 289.335 1.479 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000421234711 392929287 /nfs/dbraw/zinc/92/92/87/392929287.db2.gz FSHRQTZDIDALPT-SECBINFHSA-N 1 0 266.301 1.089 20 5 CDBDRO CC(C)(C(=O)NC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000269158186 132122738 /nfs/dbraw/zinc/12/27/38/132122738.db2.gz ZMRSACGAMPULBZ-LBPRGKRZSA-N 1 0 291.351 1.741 20 5 CDBDRO C[C@H](NC[C@@H]1C[NH2+]CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000423486330 392963952 /nfs/dbraw/zinc/96/39/52/392963952.db2.gz WIECRKWQPQWHIE-FZMZJTMJSA-N 1 0 278.356 1.149 20 5 CDBDRO Cc1c(CC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000423624488 392965448 /nfs/dbraw/zinc/96/54/48/392965448.db2.gz PSJBTNUDUFVSLG-GXFFZTMASA-N 1 0 291.351 1.702 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CC[NH3+] ZINC000423996096 392968160 /nfs/dbraw/zinc/96/81/60/392968160.db2.gz FUFIQHMWSDAXID-UHFFFAOYSA-N 1 0 251.286 1.242 20 5 CDBDRO C[C@H]1CC[C@H]([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000429577973 393082603 /nfs/dbraw/zinc/08/26/03/393082603.db2.gz HJMDYDOMTQQDIO-UWVGGRQHSA-N 1 0 252.318 1.949 20 5 CDBDRO CC[NH2+]CC1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000430569926 393100912 /nfs/dbraw/zinc/10/09/12/393100912.db2.gz YAEJJZYLJVMHPO-UHFFFAOYSA-N 1 0 281.360 1.150 20 5 CDBDRO CC[C@H](O)C[NH+]1CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000275531138 393113484 /nfs/dbraw/zinc/11/34/84/393113484.db2.gz YBVIQTISHFDZHI-ZDUSSCGKSA-N 1 0 293.367 1.796 20 5 CDBDRO CCC[NH2+][C@@H](C)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000449099315 393129266 /nfs/dbraw/zinc/12/92/66/393129266.db2.gz NELDANDXLQNMSA-JTQLQIEISA-N 1 0 295.339 1.608 20 5 CDBDRO CCOc1ccc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000449590235 393135754 /nfs/dbraw/zinc/13/57/54/393135754.db2.gz KYSFRJGIBKTEFD-BDAKNGLRSA-N 1 0 281.312 1.459 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000449643175 393136006 /nfs/dbraw/zinc/13/60/06/393136006.db2.gz YTGXRTSYYPSIHY-ZYHUDNBSSA-N 1 0 277.324 1.842 20 5 CDBDRO COC[C@@]1(CO)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000449705189 393139899 /nfs/dbraw/zinc/13/98/99/393139899.db2.gz XCFWUHYKYVNFLT-AWEZNQCLSA-N 1 0 280.324 1.426 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000449749325 393141704 /nfs/dbraw/zinc/14/17/04/393141704.db2.gz FPVQRMLDPCVRGH-LBPRGKRZSA-N 1 0 292.339 1.263 20 5 CDBDRO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCC[C@@H]1C ZINC000487981021 393379175 /nfs/dbraw/zinc/37/91/75/393379175.db2.gz MRPSUOAQUSEDKH-STQMWFEESA-N 1 0 296.371 1.928 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235680009 140236643 /nfs/dbraw/zinc/23/66/43/140236643.db2.gz QURAXTKGVMRJLR-KWQFWETISA-N 1 0 281.287 1.604 20 5 CDBDRO [NH3+]C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C1CCCC1 ZINC000236266970 140240127 /nfs/dbraw/zinc/24/01/27/140240127.db2.gz OQGOQEOFFZZYBY-VIFPVBQESA-N 1 0 267.285 1.435 20 5 CDBDRO C[C@H]1[C@H]([NH3+])CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000261602053 140360860 /nfs/dbraw/zinc/36/08/60/140360860.db2.gz QHDJNZLDQXMFMD-GZMMTYOYSA-N 1 0 264.285 1.548 20 5 CDBDRO COc1cc(N2C[C@@H](C)[NH2+]C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000261646448 140369194 /nfs/dbraw/zinc/36/91/94/140369194.db2.gz NXNQHALQBHVSKM-RKDXNWHRSA-N 1 0 283.303 1.929 20 5 CDBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)C1CC[NH2+]CC1 ZINC000261665321 140371885 /nfs/dbraw/zinc/37/18/85/140371885.db2.gz ZMTUGIVVOSKOOB-UHFFFAOYSA-N 1 0 267.304 1.918 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC000261696830 140376801 /nfs/dbraw/zinc/37/68/01/140376801.db2.gz ICQJTZNWDXLJGF-AWEZNQCLSA-N 1 0 277.324 1.714 20 5 CDBDRO Cn1c(C(=O)N2CCC3(C2)CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000261763284 140386902 /nfs/dbraw/zinc/38/69/02/140386902.db2.gz RJOCRYTURINOPR-UHFFFAOYSA-N 1 0 292.339 1.149 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@](C)(C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000261818518 140394176 /nfs/dbraw/zinc/39/41/76/140394176.db2.gz SYGKCEURFYGMNL-CQSZACIVSA-N 1 0 277.324 1.714 20 5 CDBDRO COC[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269650362 397608311 /nfs/dbraw/zinc/60/83/11/397608311.db2.gz MDHIVELCRARXIN-RISCZKNCSA-N 1 0 280.324 1.597 20 5 CDBDRO COCC[NH2+]CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000092495686 147012866 /nfs/dbraw/zinc/01/28/66/147012866.db2.gz YJVUBIKNTSWKCS-SNVBAGLBSA-N 1 0 281.312 1.008 20 5 CDBDRO CC(C)([NH3+])CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000096470153 147113813 /nfs/dbraw/zinc/11/38/13/147113813.db2.gz ZDZLFRUXISNSLY-UHFFFAOYSA-N 1 0 287.341 1.148 20 5 CDBDRO C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000119396506 147317012 /nfs/dbraw/zinc/31/70/12/147317012.db2.gz GMKHSAARHHTUOU-MRVPVSSYSA-N 1 0 283.332 1.024 20 5 CDBDRO C[NH+](C)CCn1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000120059215 147330982 /nfs/dbraw/zinc/33/09/82/147330982.db2.gz DSNDBOLUUSVBIK-UHFFFAOYSA-N 1 0 293.283 1.198 20 5 CDBDRO Cc1cnc(N2C[C@H](C)[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000251081888 292917698 /nfs/dbraw/zinc/91/76/98/292917698.db2.gz PXWNVBALKCLXOK-VHSXEESVSA-N 1 0 250.302 1.485 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@H+](CCO)CC2CC2)c(F)c1 ZINC000352467102 155205150 /nfs/dbraw/zinc/20/51/50/155205150.db2.gz IVMKSNQHMKZWOK-UHFFFAOYSA-N 1 0 268.288 1.938 20 5 CDBDRO COc1ccc(CNC(=O)[C@H](C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000262284377 149046136 /nfs/dbraw/zinc/04/61/36/149046136.db2.gz XQMWSMBOYJKGMV-SECBINFHSA-N 1 0 293.323 1.075 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000262633732 149087022 /nfs/dbraw/zinc/08/70/22/149087022.db2.gz NYGFZBCHTLZVJB-UHFFFAOYSA-N 1 0 294.355 1.733 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352665865 155336762 /nfs/dbraw/zinc/33/67/62/155336762.db2.gz GDNGBMLHVHXSGX-OLZOCXBDSA-N 1 0 280.324 1.949 20 5 CDBDRO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343438825 152177557 /nfs/dbraw/zinc/17/75/57/152177557.db2.gz LUJNEIAQJSNQOJ-MFKMUULPSA-N 1 0 277.324 1.807 20 5 CDBDRO C[C@@H]1[NH2+]CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@H]1C ZINC000346678720 153269289 /nfs/dbraw/zinc/26/92/89/153269289.db2.gz LTDAPQWSQIXHIB-UWVGGRQHSA-N 1 0 267.304 1.916 20 5 CDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCOC1 ZINC000348263741 153838172 /nfs/dbraw/zinc/83/81/72/153838172.db2.gz UWTDZHSOGFTHBY-VXGBXAGGSA-N 1 0 295.339 1.161 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](CCO)C2CCOCC2)c1 ZINC000359576516 158293536 /nfs/dbraw/zinc/29/35/36/158293536.db2.gz OJLHMQCRFMTLKU-OAHLLOKOSA-N 1 0 294.351 1.862 20 5 CDBDRO Cc1ccn(CCC[NH+]2CCCCC2)c(=O)c1[N+](=O)[O-] ZINC000361965307 159026034 /nfs/dbraw/zinc/02/60/34/159026034.db2.gz GJFKSPNOMXZMMV-UHFFFAOYSA-N 1 0 279.340 1.941 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CCC3(CCCO3)CC2)c1 ZINC000370009552 159857126 /nfs/dbraw/zinc/85/71/26/159857126.db2.gz OQFMLDSRSTXUPR-UHFFFAOYSA-N 1 0 294.355 1.873 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000021797891 171325122 /nfs/dbraw/zinc/32/51/22/171325122.db2.gz FHSMAZPSJBQQGI-JTQLQIEISA-N 1 0 250.302 1.886 20 5 CDBDRO CC(C)NC(=O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000035136000 172003285 /nfs/dbraw/zinc/00/32/85/172003285.db2.gz RUYQXWPFKWMYCE-UHFFFAOYSA-N 1 0 251.286 1.209 20 5 CDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285522821 196312867 /nfs/dbraw/zinc/31/28/67/196312867.db2.gz BFXAGLHHIREMPJ-SNVBAGLBSA-N 1 0 295.343 1.122 20 5 CDBDRO O=C(CN1CC[NH2+]CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000037395756 173176171 /nfs/dbraw/zinc/17/61/71/173176171.db2.gz UCVQJZLFIACDCH-UHFFFAOYSA-N 1 0 298.730 1.092 20 5 CDBDRO C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000038083176 174092856 /nfs/dbraw/zinc/09/28/56/174092856.db2.gz NHQAPFZJELNTTG-QWRGUYRKSA-N 1 0 298.364 1.680 20 5 CDBDRO CC(C)[C@H]([NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676219 174373922 /nfs/dbraw/zinc/37/39/22/174373922.db2.gz BEGJOCBPGAOXHD-LBPRGKRZSA-N 1 0 265.313 1.237 20 5 CDBDRO Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000040740832 174390914 /nfs/dbraw/zinc/39/09/14/174390914.db2.gz YGNLEQAJYAOLCE-FUNVUKJBSA-N 1 0 289.335 1.916 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1csc([N+](=O)[O-])c1 ZINC000044501398 175185766 /nfs/dbraw/zinc/18/57/66/175185766.db2.gz DCCULBAZWAPMCY-MRVPVSSYSA-N 1 0 269.326 1.386 20 5 CDBDRO [NH3+]CC1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000044512820 175188134 /nfs/dbraw/zinc/18/81/34/175188134.db2.gz DPYHXXOHXYKVDB-AATRIKPKSA-N 1 0 289.335 1.805 20 5 CDBDRO [NH3+]CC1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000044514000 175189609 /nfs/dbraw/zinc/18/96/09/175189609.db2.gz FRWAUSOJPITNFR-UHFFFAOYSA-N 1 0 292.339 1.204 20 5 CDBDRO CCOC[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000044723510 175237510 /nfs/dbraw/zinc/23/75/10/175237510.db2.gz HNIQZQWMOLGPTF-LLVKDONJSA-N 1 0 268.313 1.988 20 5 CDBDRO CN(c1ccc([N+](=O)[O-])c2cnccc21)[C@@H]1CC[NH2+]C1 ZINC000071311859 176118678 /nfs/dbraw/zinc/11/86/78/176118678.db2.gz OZAFFMTURXEVNH-SNVBAGLBSA-N 1 0 272.308 1.941 20 5 CDBDRO CCN(Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000071313335 176119812 /nfs/dbraw/zinc/11/98/12/176119812.db2.gz LKMXLGKUSMVMHG-LBPRGKRZSA-N 1 0 267.304 1.918 20 5 CDBDRO Cc1ccc(C(=O)N2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000071978914 176307590 /nfs/dbraw/zinc/30/75/90/176307590.db2.gz RBTSBWSMYGWEFV-JTQLQIEISA-N 1 0 263.297 1.337 20 5 CDBDRO CC[C@@](C)(CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000080108558 177610368 /nfs/dbraw/zinc/61/03/68/177610368.db2.gz ZZMJKMJQZVTUSV-ZDUSSCGKSA-N 1 0 252.314 1.888 20 5 CDBDRO CC(C)NC(=O)NCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000517365408 260155453 /nfs/dbraw/zinc/15/54/53/260155453.db2.gz BNYNUIPFLJCNOY-NSHDSACASA-N 1 0 294.355 1.953 20 5 CDBDRO CC[C@@H](O)C[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000118752733 273724477 /nfs/dbraw/zinc/72/44/77/273724477.db2.gz VRGYMRKFFGMCMH-GFCCVEGCSA-N 1 0 297.330 1.627 20 5 CDBDRO COC[C@@]1(CNc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261573500 274047250 /nfs/dbraw/zinc/04/72/50/274047250.db2.gz ARTMMEHTTGFBJZ-ZDUSSCGKSA-N 1 0 265.313 1.775 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(NC[C@](C)(O)C[NH+](C)C)c1 ZINC000228670320 274118688 /nfs/dbraw/zinc/11/86/88/274118688.db2.gz GDDYAQORSPIDDF-ZDUSSCGKSA-N 1 0 283.328 1.328 20 5 CDBDRO O=[N+]([O-])c1ccccc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000363086746 275040226 /nfs/dbraw/zinc/04/02/26/275040226.db2.gz HEHHWUNPHKCUNN-GJZGRUSLSA-N 1 0 291.351 1.630 20 5 CDBDRO CCO[C@@H]1COC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000451940212 276342538 /nfs/dbraw/zinc/34/25/38/276342538.db2.gz SLZNFXVVZGNBIH-ZIAGYGMSSA-N 1 0 280.324 1.531 20 5 CDBDRO CN(C(=O)COc1ccc([N+](=O)[O-])cc1)C1(C[NH3+])CCC1 ZINC000449671615 276735799 /nfs/dbraw/zinc/73/57/99/276735799.db2.gz SMHRKVYDJRMPIS-UHFFFAOYSA-N 1 0 293.323 1.313 20 5 CDBDRO CN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000104337297 276736240 /nfs/dbraw/zinc/73/62/40/276736240.db2.gz GAHKAGYUQCOROR-MRVPVSSYSA-N 1 0 283.715 1.682 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000053202184 277039321 /nfs/dbraw/zinc/03/93/21/277039321.db2.gz ACIICRWMRDGPPR-LLVKDONJSA-N 1 0 277.324 1.727 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncccc3[N+](=O)[O-])CC[C@@H]21 ZINC000133454412 277070548 /nfs/dbraw/zinc/07/05/48/277070548.db2.gz SQIFWFXVQCGKIJ-NEPJUHHUSA-N 1 0 276.340 1.910 20 5 CDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272628264 277175640 /nfs/dbraw/zinc/17/56/40/277175640.db2.gz MVDAFGKHMWGCSU-FZMZJTMJSA-N 1 0 289.335 1.761 20 5 CDBDRO C[NH2+]CCCN(C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000420383148 277267083 /nfs/dbraw/zinc/26/70/83/277267083.db2.gz BNHWUOIBSIAFRV-UHFFFAOYSA-N 1 0 294.355 1.383 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000237256481 277285021 /nfs/dbraw/zinc/28/50/21/277285021.db2.gz HBEXODXJDDQADG-SNVBAGLBSA-N 1 0 278.312 1.001 20 5 CDBDRO COc1cccc(N2CC[C@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000135060600 278016770 /nfs/dbraw/zinc/01/67/70/278016770.db2.gz UYLQQQBVGNDUMS-UWVGGRQHSA-N 1 0 265.313 1.777 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000217535339 280088856 /nfs/dbraw/zinc/08/88/56/280088856.db2.gz GKQSWJYMNIYQIV-UJZCVKTISA-N 1 0 289.335 1.805 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]CC[C@H]2CCOC2)cc1 ZINC000220678195 280092810 /nfs/dbraw/zinc/09/28/10/280092810.db2.gz PZEIOTDFVNXOOX-LBPRGKRZSA-N 1 0 280.324 1.990 20 5 CDBDRO Cc1c(C(=O)N2CCC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000122303954 280206095 /nfs/dbraw/zinc/20/60/95/280206095.db2.gz GROBKGRVDLEYGZ-JTQLQIEISA-N 1 0 263.297 1.467 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])c(N)c([N+](=O)[O-])c1 ZINC000262590204 280359455 /nfs/dbraw/zinc/35/94/55/280359455.db2.gz QXDRUHHXWUZASM-ONGXEEELSA-N 1 0 292.339 1.343 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000268037997 281012726 /nfs/dbraw/zinc/01/27/26/281012726.db2.gz NAGYYMXNORHSON-GFCCVEGCSA-N 1 0 279.340 1.670 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2COC[C@H]2O)cc1[N+](=O)[O-] ZINC000551092780 290000338 /nfs/dbraw/zinc/00/03/38/290000338.db2.gz DAIBJHXKOMYXKR-SUZMYJTESA-N 1 0 266.297 1.314 20 5 CDBDRO C[NH+](C)CCCCC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000552221406 290060688 /nfs/dbraw/zinc/06/06/88/290060688.db2.gz FPRLQIHIFINJAJ-UHFFFAOYSA-N 1 0 279.340 1.943 20 5 CDBDRO C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000330982166 290121380 /nfs/dbraw/zinc/12/13/80/290121380.db2.gz FFZUNMKHAJLXLR-GARJFASQSA-N 1 0 268.317 1.245 20 5 CDBDRO COc1cccc(C(=O)N2CCC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000564567818 293372777 /nfs/dbraw/zinc/37/27/77/293372777.db2.gz SLFJZRDIPBYPJP-SNVBAGLBSA-N 1 0 293.323 1.414 20 5 CDBDRO CC(=O)N1CC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000568107304 293953286 /nfs/dbraw/zinc/95/32/86/293953286.db2.gz JBWORFLJMYBMBK-JTQLQIEISA-N 1 0 277.324 1.785 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000572118741 294560948 /nfs/dbraw/zinc/56/09/48/294560948.db2.gz LLFSPDYMJSZSSE-WDEREUQCSA-N 1 0 294.355 1.862 20 5 CDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261756836 304523123 /nfs/dbraw/zinc/52/31/23/304523123.db2.gz UMJXYXDCSDBNEH-ZJUUUORDSA-N 1 0 293.298 1.415 20 5 CDBDRO Cc1cnc(N2CCC[C@@H]2C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000268644935 302349358 /nfs/dbraw/zinc/34/93/58/302349358.db2.gz SMHWFDAXKLXHBD-LLVKDONJSA-N 1 0 264.329 1.829 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000563601636 316339806 /nfs/dbraw/zinc/33/98/06/316339806.db2.gz PYSZZYFQEHLHID-SECBINFHSA-N 1 0 278.312 1.010 20 5 CDBDRO CNC(=O)CCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000566426237 316581267 /nfs/dbraw/zinc/58/12/67/316581267.db2.gz QOHVUJQWDJQKOF-UHFFFAOYSA-N 1 0 279.340 1.946 20 5 CDBDRO Cc1ccc(NC(=O)N(C)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000575020704 316949214 /nfs/dbraw/zinc/94/92/14/316949214.db2.gz PKJVFUAMDDMOFZ-NSHDSACASA-N 1 0 278.312 1.729 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000576986158 317244069 /nfs/dbraw/zinc/24/40/69/317244069.db2.gz PIGYFSLZENRGSA-XYPYZODXSA-N 1 0 252.318 1.865 20 5 CDBDRO CC(C)[NH2+][C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000577646133 317376209 /nfs/dbraw/zinc/37/62/09/317376209.db2.gz FVZBECVSMHANCB-NSHDSACASA-N 1 0 277.280 1.225 20 5 CDBDRO [NH3+][C@H](CNC(=O)/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000379684288 323604519 /nfs/dbraw/zinc/60/45/19/323604519.db2.gz FFKFWXNEQKCGKD-QDZRJHCZSA-N 1 0 275.308 1.462 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000381376656 323626400 /nfs/dbraw/zinc/62/64/00/323626400.db2.gz OEXKTQADOIULOD-RKDXNWHRSA-N 1 0 251.286 1.369 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000382478351 323643459 /nfs/dbraw/zinc/64/34/59/323643459.db2.gz DOLABKJOMDEOQG-HTQZYQBOSA-N 1 0 269.326 1.514 20 5 CDBDRO Cc1ncc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1C ZINC000579130310 324115758 /nfs/dbraw/zinc/11/57/58/324115758.db2.gz NWTOMPWYGIRHLB-UHFFFAOYSA-N 1 0 260.297 1.927 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000176279950 335256488 /nfs/dbraw/zinc/25/64/88/335256488.db2.gz GWXLXIHPSRNYBN-UHFFFAOYSA-N 1 0 280.328 1.298 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2)C1 ZINC001168967629 1161996194 /nfs/dbraw/zinc/99/61/94/1161996194.db2.gz ROOXTDWLXMJOJK-NEPJUHHUSA-N 1 0 250.298 1.927 20 5 CDBDRO O=C(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)N1CCCCC1 ZINC001168966647 1161996219 /nfs/dbraw/zinc/99/62/19/1161996219.db2.gz KNCPTBOGJPZLEN-VXGBXAGGSA-N 1 0 269.345 1.034 20 5 CDBDRO CCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000188955570 521007872 /nfs/dbraw/zinc/00/78/72/521007872.db2.gz PYXMCYNMYZOZQB-UHFFFAOYSA-N 1 0 294.355 1.591 20 5 CDBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000157704430 523174368 /nfs/dbraw/zinc/17/43/68/523174368.db2.gz JSOTXEWDAFUKHA-SNVBAGLBSA-N 1 0 295.343 1.312 20 5 CDBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000225214563 524410023 /nfs/dbraw/zinc/41/00/23/524410023.db2.gz BFKMNSWWOUTMGY-OXHZDVMGSA-N 1 0 296.371 1.567 20 5 CDBDRO C[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163602799 524453433 /nfs/dbraw/zinc/45/34/33/524453433.db2.gz YZJMPRBHGWPCHZ-YPMHNXCESA-N 1 0 291.351 1.581 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000235344929 524482284 /nfs/dbraw/zinc/48/22/84/524482284.db2.gz XJCCFNWITHDKNG-RNCFNFMXSA-N 1 0 295.314 1.933 20 5 CDBDRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000037782999 524599165 /nfs/dbraw/zinc/59/91/65/524599165.db2.gz MUQSVYYSUAXCPS-NSHDSACASA-N 1 0 277.324 1.695 20 5 CDBDRO C[C@]1([NH2+]CCn2cc([N+](=O)[O-])cn2)CCO[C@H]1C1CC1 ZINC000374634120 525296842 /nfs/dbraw/zinc/29/68/42/525296842.db2.gz YNEUXDTXAWCOBS-STQMWFEESA-N 1 0 280.328 1.339 20 5 CDBDRO Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000052851745 526164174 /nfs/dbraw/zinc/16/41/74/526164174.db2.gz LWMKESMZWMYMLU-UHFFFAOYSA-N 1 0 277.324 1.729 20 5 CDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[NH2+]1 ZINC000053253565 527617588 /nfs/dbraw/zinc/61/75/88/527617588.db2.gz QLZFOTQCAMRCSX-FZKGZDJFSA-N 1 0 275.308 1.476 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)[NH3+] ZINC000415658253 535429759 /nfs/dbraw/zinc/42/97/59/535429759.db2.gz NHWQGDNYJQQPJA-UHFFFAOYSA-N 1 0 296.327 1.852 20 5 CDBDRO CCc1ccc(C(=O)N(C)CCC[NH2+]C)cc1[N+](=O)[O-] ZINC000424038576 536163855 /nfs/dbraw/zinc/16/38/55/536163855.db2.gz YFBAKWDRFOSNKC-UHFFFAOYSA-N 1 0 279.340 1.839 20 5 CDBDRO CCc1nn(C)c(NC[C@]2(COC)CCC[NH2+]2)c1[N+](=O)[O-] ZINC000261603511 536182310 /nfs/dbraw/zinc/18/23/10/536182310.db2.gz CHENRAVZPOMSCR-ZDUSSCGKSA-N 1 0 297.359 1.071 20 5 CDBDRO CNC(=O)c1ccc(N[C@@H]2CCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000212642130 536435039 /nfs/dbraw/zinc/43/50/39/536435039.db2.gz XPZKXMCTHZICDI-WDEREUQCSA-N 1 0 292.339 1.494 20 5 CDBDRO CO[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000167148784 536687425 /nfs/dbraw/zinc/68/74/25/536687425.db2.gz RFUTWQHUEVRXCS-UONOGXRCSA-N 1 0 279.340 1.533 20 5 CDBDRO COc1cc(C(=O)N2CC[NH2+]C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000422750071 536888412 /nfs/dbraw/zinc/88/84/12/536888412.db2.gz CAIATINLUOHDMT-SECBINFHSA-N 1 0 293.323 1.346 20 5 CDBDRO C[N@H+](CCCN1CCOC1=O)Cc1ccccc1[N+](=O)[O-] ZINC000744193366 576669565 /nfs/dbraw/zinc/66/95/65/576669565.db2.gz NDBFYDSCUBYIDK-UHFFFAOYSA-N 1 0 293.323 1.869 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](CCO)C1CC1 ZINC000763060494 576705748 /nfs/dbraw/zinc/70/57/48/576705748.db2.gz UZOYHDVHPLUHQS-LBPRGKRZSA-N 1 0 280.324 1.724 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCc3c[nH]nc3C2)c1 ZINC000750720052 577001508 /nfs/dbraw/zinc/00/15/08/577001508.db2.gz LNKKXYYRXRSFIS-CQSZACIVSA-N 1 0 288.307 1.410 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NNC(=S)NCC[NH+](C)C ZINC000806589550 617320376 /nfs/dbraw/zinc/32/03/76/617320376.db2.gz HPFBQAFTLBPYMM-UHFFFAOYSA-N 1 0 297.384 1.256 20 5 CDBDRO CC(C)(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000981137152 613910665 /nfs/dbraw/zinc/91/06/65/613910665.db2.gz OWJGCSIAANIUCY-CHWSQXEVSA-N 1 0 297.399 1.622 20 5 CDBDRO Cc1ccc(CNC(=O)N2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000892537497 617485670 /nfs/dbraw/zinc/48/56/70/617485670.db2.gz WKOFGPXSCNKDBU-UHFFFAOYSA-N 1 0 292.339 1.408 20 5 CDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H]1CO ZINC000934022951 617862447 /nfs/dbraw/zinc/86/24/47/617862447.db2.gz BJTBVYMUKFRBQA-ZDUSSCGKSA-N 1 0 280.324 1.949 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cccnc2)cc1 ZINC000106140757 618094495 /nfs/dbraw/zinc/09/44/95/618094495.db2.gz OGDNYIRSBFZOAT-CQSZACIVSA-N 1 0 273.292 1.813 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(c2ccc3nonc3c2[N+](=O)[O-])C1 ZINC000893118710 618196821 /nfs/dbraw/zinc/19/68/21/618196821.db2.gz IPUDHIRNRYZMOW-VIFPVBQESA-N 1 0 291.311 1.519 20 5 CDBDRO C[N@@H+]1C[C@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893941175 618204872 /nfs/dbraw/zinc/20/48/72/618204872.db2.gz RNICULWTRHKXQU-NOZJJQNGSA-N 1 0 265.288 1.874 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CC[N@H+](C)C2(CCCCC2)C1 ZINC000894042921 618285392 /nfs/dbraw/zinc/28/53/92/618285392.db2.gz ORZPENDOQBRULY-UHFFFAOYSA-N 1 0 293.371 1.783 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000806591279 618424288 /nfs/dbraw/zinc/42/42/88/618424288.db2.gz NHSUENNTBBHLLQ-VIFPVBQESA-N 1 0 282.369 1.831 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000894435987 618885986 /nfs/dbraw/zinc/88/59/86/618885986.db2.gz GMMAUDNJCSXNDG-GHMZBOCLSA-N 1 0 279.344 1.757 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000894489270 618915389 /nfs/dbraw/zinc/91/53/89/618915389.db2.gz UWNYZRMONGZAQI-SECBINFHSA-N 1 0 267.333 1.613 20 5 CDBDRO CCC[C@H]1CN(c2nccc(C)c2[N+](=O)[O-])CC[NH2+]1 ZINC000895058228 619242824 /nfs/dbraw/zinc/24/28/24/619242824.db2.gz KIWPJQDOWIWOAC-NSHDSACASA-N 1 0 264.329 1.877 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NCC[N@@H+]1CCC(C)(C)C1 ZINC000897248758 620441785 /nfs/dbraw/zinc/44/17/85/620441785.db2.gz AUBPIJWIVHIMGB-UHFFFAOYSA-N 1 0 267.333 1.472 20 5 CDBDRO CC1(C)CC[N@H+](CCNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000897249118 620442658 /nfs/dbraw/zinc/44/26/58/620442658.db2.gz MHTDVVFEPCUUKI-UHFFFAOYSA-N 1 0 279.344 1.716 20 5 CDBDRO CC[NH+](CC)[C@@H](CNCC[N+](=O)[O-])c1ccccc1 ZINC000899859979 622486415 /nfs/dbraw/zinc/48/64/15/622486415.db2.gz OHLBQEIEGAOIPP-AWEZNQCLSA-N 1 0 265.357 1.936 20 5 CDBDRO Cc1cc(N2CC[C@@H](C[NH3+])[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000900384743 622964042 /nfs/dbraw/zinc/96/40/42/622964042.db2.gz UIRLDHUJCGICPM-MNOVXSKESA-N 1 0 264.329 1.719 20 5 CDBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1Cn1nccc1[N+](=O)[O-] ZINC000902544005 624907131 /nfs/dbraw/zinc/90/71/31/624907131.db2.gz VJHZHMWTRLXEHR-GFCCVEGCSA-N 1 0 281.360 1.411 20 5 CDBDRO O=[N+]([O-])CC[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000905031675 626392410 /nfs/dbraw/zinc/39/24/10/626392410.db2.gz VKJCJNGNRLKKFX-UHFFFAOYSA-N 1 0 260.297 1.298 20 5 CDBDRO COc1cc(C[NH2+]CC[N+](=O)[O-])c2ccccc2n1 ZINC000905136634 626650333 /nfs/dbraw/zinc/65/03/33/626650333.db2.gz LZFDTQVXCBMUPL-UHFFFAOYSA-N 1 0 261.281 1.610 20 5 CDBDRO C[C@H](CCNCC[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000905146512 626658387 /nfs/dbraw/zinc/65/83/87/626658387.db2.gz NRPYUZYCCAXTBD-CYBMUJFWSA-N 1 0 265.357 1.763 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2C=CCC2)c1 ZINC000905417242 626805615 /nfs/dbraw/zinc/80/56/15/626805615.db2.gz KDQPIKBSOALPHM-TZMCWYRMSA-N 1 0 292.335 1.890 20 5 CDBDRO CCC[C@H](O)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905587998 626879286 /nfs/dbraw/zinc/87/92/86/626879286.db2.gz JSEMHWCNAGHKQV-UONOGXRCSA-N 1 0 282.340 1.769 20 5 CDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Cc1cnc[nH]1 ZINC000908052270 628002358 /nfs/dbraw/zinc/00/23/58/628002358.db2.gz CILBUVWJUPMBES-UHFFFAOYSA-N 1 0 288.307 1.562 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911672572 629399577 /nfs/dbraw/zinc/39/95/77/629399577.db2.gz MHDKXIPFPAZGRA-XBFCOCLRSA-N 1 0 289.335 1.567 20 5 CDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)C1 ZINC000912916356 630285606 /nfs/dbraw/zinc/28/56/06/630285606.db2.gz WJRBIKVKOKLUAW-NSHDSACASA-N 1 0 293.298 1.654 20 5 CDBDRO CC[C@H](CO)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000915875423 631848426 /nfs/dbraw/zinc/84/84/26/631848426.db2.gz JKSYYKXNRAUDSY-NXEZZACHSA-N 1 0 281.312 1.282 20 5 CDBDRO C[C@H](Nc1ccc2nc[nH]c2c1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001170574816 1162974940 /nfs/dbraw/zinc/97/49/40/1162974940.db2.gz UFZIISWNJYYWBO-KWQFWETISA-N 1 0 291.311 1.260 20 5 CDBDRO COc1cc(N[C@H](C)[C@H]2C[NH2+]CCO2)cc([N+](=O)[O-])c1C ZINC001170574877 1162983823 /nfs/dbraw/zinc/98/38/23/1162983823.db2.gz UNAKVRSWKMEQAC-QMTHXVAHSA-N 1 0 295.339 1.701 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1N(CC[NH3+])c1cccnc1 ZINC001168837280 1161990058 /nfs/dbraw/zinc/99/00/58/1161990058.db2.gz YPGIVHJWJPZXIN-UHFFFAOYSA-N 1 0 289.295 1.490 20 5 CDBDRO CCC(=O)N1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168967507 1161996174 /nfs/dbraw/zinc/99/61/74/1161996174.db2.gz QGXUZZDJZHCDJJ-WCQYABFASA-N 1 0 283.372 1.422 20 5 CDBDRO COCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866214894 1164751437 /nfs/dbraw/zinc/75/14/37/1164751437.db2.gz SMSIXBCHXWAFNQ-SECBINFHSA-N 1 0 256.277 1.901 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001155479588 1167190214 /nfs/dbraw/zinc/19/02/14/1167190214.db2.gz BUKYPJWIBPKPFR-BCMRRPTOSA-N 1 0 298.730 1.290 20 5 CDBDRO Cc1c(C)c(NC[C@]23C[NH2+]C[C@H]2COC3)ncc1[N+](=O)[O-] ZINC001155516927 1167207164 /nfs/dbraw/zinc/20/71/64/1167207164.db2.gz ORSLNCAZHITUSH-FZMZJTMJSA-N 1 0 292.339 1.255 20 5 CDBDRO Cc1nc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC001155622533 1167264152 /nfs/dbraw/zinc/26/41/52/1167264152.db2.gz ZMTQTDHQVMLRIS-RISCZKNCSA-N 1 0 292.339 1.621 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC2(C[NH2+]C2)C1 ZINC001578263363 1171856174 /nfs/dbraw/zinc/85/61/74/1171856174.db2.gz BMISRBUMMSXUHJ-UHFFFAOYSA-N 1 0 290.323 1.594 20 5 CDBDRO CN(C[C@@H]1CC[NH2+]1)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001578456068 1171919760 /nfs/dbraw/zinc/91/97/60/1171919760.db2.gz MEXVHBTZKXMGPB-ZETCQYMHSA-N 1 0 290.245 1.807 20 5 CDBDRO C[C@H](NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001579480290 1172194320 /nfs/dbraw/zinc/19/43/20/1172194320.db2.gz HLKSCCISTVBDMR-KWBADKCTSA-N 1 0 295.314 1.720 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC(C)(C)CC[NH3+])n1 ZINC001579642398 1172232518 /nfs/dbraw/zinc/23/25/18/1172232518.db2.gz DEWNOSMRAJZZMM-UHFFFAOYSA-N 1 0 266.301 1.155 20 5 CDBDRO Cc1ccc(NC(=O)NC[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC001579719946 1172247091 /nfs/dbraw/zinc/24/70/91/1172247091.db2.gz SRCNCSGNFUDQBB-GDNZZTSVSA-N 1 0 290.323 1.490 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C1CCC1)C1C[NH2+]C1 ZINC001579734408 1172249960 /nfs/dbraw/zinc/24/99/60/1172249960.db2.gz SHKPCBOKDMJYOS-UHFFFAOYSA-N 1 0 289.335 1.870 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001579734751 1172250170 /nfs/dbraw/zinc/25/01/70/1172250170.db2.gz ZGOOGFXPMMFQEL-NEPJUHHUSA-N 1 0 289.335 1.585 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NCc1ccccc1C[NH3+] ZINC001580009549 1172322701 /nfs/dbraw/zinc/32/27/01/1172322701.db2.gz VLDLKZCLBDCNJU-UHFFFAOYSA-N 1 0 261.285 1.399 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[C@@H]([NH3+])C1 ZINC000312977652 1186706228 /nfs/dbraw/zinc/70/62/28/1186706228.db2.gz WCPKUNLIMXTISN-WDEREUQCSA-N 1 0 277.324 1.760 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ccccc1 ZINC000039290992 717126796 /nfs/dbraw/zinc/12/67/96/717126796.db2.gz HYJJJTPUNRDJLK-CYBMUJFWSA-N 1 0 252.334 1.187 20 5 CDBDRO CCOc1nc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001164640289 719222396 /nfs/dbraw/zinc/22/23/96/719222396.db2.gz SDXLICSRGKCTRO-MNOVXSKESA-N 1 0 294.355 1.917 20 5 CDBDRO CC[C@@H]1COCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585693 844036455 /nfs/dbraw/zinc/03/64/55/844036455.db2.gz ZHVINZUFIYRWFU-TZMCWYRMSA-N 1 0 280.324 1.739 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCCCCCC[NH3+] ZINC000843512538 844064134 /nfs/dbraw/zinc/06/41/34/844064134.db2.gz ODUZYCNFNYFXAT-UHFFFAOYSA-N 1 0 280.328 1.426 20 5 CDBDRO C[C@H](C[NH3+])CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841049214 844132042 /nfs/dbraw/zinc/13/20/42/844132042.db2.gz OEQTZSXOBCIKFO-MRVPVSSYSA-N 1 0 257.721 1.933 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000261865410 844243567 /nfs/dbraw/zinc/24/35/67/844243567.db2.gz YLWHKDSAPHGOAQ-JGVFFNPUSA-N 1 0 293.352 1.773 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000127226427 844357445 /nfs/dbraw/zinc/35/74/45/844357445.db2.gz BDKHZWVRAJBDHN-BTDICHCPSA-N 1 0 275.308 1.428 20 5 CDBDRO C[C@H]1C[C@H](N(C)Cc2cccnc2[N+](=O)[O-])CC[N@@H+]1C ZINC000886032564 844363039 /nfs/dbraw/zinc/36/30/39/844363039.db2.gz JCRQZXCNWZTOFX-WCQYABFASA-N 1 0 278.356 1.904 20 5 CDBDRO CC1(C)OC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)O1 ZINC000230210876 844381483 /nfs/dbraw/zinc/38/14/83/844381483.db2.gz HZONJWHAEKRBDU-LBPRGKRZSA-N 1 0 266.297 1.836 20 5 CDBDRO CCC(=O)c1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000795075139 844393626 /nfs/dbraw/zinc/39/36/26/844393626.db2.gz WTUJYEWCSJNZEZ-VXGBXAGGSA-N 1 0 289.335 1.843 20 5 CDBDRO COc1ccc2c(c1)CC[N@@H+](CC[N+](=O)[O-])CC2 ZINC000930113701 844421050 /nfs/dbraw/zinc/42/10/50/844421050.db2.gz IHEDQPDZRYSFAV-UHFFFAOYSA-N 1 0 250.298 1.373 20 5 CDBDRO CCN(CCC[NH+](C)C)c1cc(N)ccc1[N+](=O)[O-] ZINC000819931277 844445298 /nfs/dbraw/zinc/44/52/98/844445298.db2.gz LPMLTDAPFSZEFK-UHFFFAOYSA-N 1 0 266.345 1.955 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCC[C@H](O)C2)c1 ZINC000843068097 844479578 /nfs/dbraw/zinc/47/95/78/844479578.db2.gz DJDFCQSMYVPWTD-TUKIKUTGSA-N 1 0 294.351 1.769 20 5 CDBDRO C[C@@H]([NH3+])CN(C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000861615724 843008755 /nfs/dbraw/zinc/00/87/55/843008755.db2.gz VFJALRRLHXEEHI-SNVBAGLBSA-N 1 0 280.328 1.126 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[C@H]3O)CC2)cc1 ZINC000818358426 843027940 /nfs/dbraw/zinc/02/79/40/843027940.db2.gz ZQMLZDOULRRPEA-HUUCEWRRSA-N 1 0 291.351 1.677 20 5 CDBDRO COC(=O)N(C)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000850547884 843090241 /nfs/dbraw/zinc/09/02/41/843090241.db2.gz WIMQAXQZVGUYDP-LBPRGKRZSA-N 1 0 293.323 1.870 20 5 CDBDRO C[C@@H]([NH2+][C@@H](CO)CC(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815620350 843363111 /nfs/dbraw/zinc/36/31/11/843363111.db2.gz OLXDNGUZMOIXRJ-VXNVDRBHSA-N 1 0 289.282 1.844 20 5 CDBDRO C[C@@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000887402532 843589027 /nfs/dbraw/zinc/58/90/27/843589027.db2.gz DQNUCLABLSJJIE-LBPRGKRZSA-N 1 0 291.351 1.910 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000882494638 843809538 /nfs/dbraw/zinc/80/95/38/843809538.db2.gz SYFDFDUTMMTCJG-JTQLQIEISA-N 1 0 257.334 1.032 20 5 CDBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886144814 843812938 /nfs/dbraw/zinc/81/29/38/843812938.db2.gz HWVRXRIZEPRNIL-VXGBXAGGSA-N 1 0 281.312 1.273 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2=CCCOC2)c1 ZINC000819313490 843841458 /nfs/dbraw/zinc/84/14/58/843841458.db2.gz HATKWHXGMGOFHO-CQSZACIVSA-N 1 0 278.308 1.565 20 5 CDBDRO CCCC[N@H+](C)CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823276665 843921131 /nfs/dbraw/zinc/92/11/31/843921131.db2.gz MXCODDUWBVDBCR-UHFFFAOYSA-N 1 0 273.377 1.670 20 5 CDBDRO C[NH+](C)CCn1cc(COc2ccc([N+](=O)[O-])cc2)nn1 ZINC000864622988 844699053 /nfs/dbraw/zinc/69/90/53/844699053.db2.gz CSSNWOAJAQHBQI-UHFFFAOYSA-N 1 0 291.311 1.327 20 5 CDBDRO CCc1nn(C)c(NC2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC000091561033 844799715 /nfs/dbraw/zinc/79/97/15/844799715.db2.gz IOLKRWGVFYFJAI-UHFFFAOYSA-N 1 0 267.333 1.573 20 5 CDBDRO CCO[C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819359048 844808787 /nfs/dbraw/zinc/80/87/87/844808787.db2.gz CLPPHGZPWHHDBZ-YUTCNCBUSA-N 1 0 280.324 1.785 20 5 CDBDRO CCCc1n[nH]c(C(=O)NCCCCCC[NH3+])c1[N+](=O)[O-] ZINC000843510383 844965316 /nfs/dbraw/zinc/96/53/16/844965316.db2.gz OSKOIMJBCKSRET-UHFFFAOYSA-N 1 0 297.359 1.519 20 5 CDBDRO C[NH2+]C[C@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000853249178 845039611 /nfs/dbraw/zinc/03/96/11/845039611.db2.gz OEJAKMYZFZPKJO-QMMMGPOBSA-N 1 0 257.721 1.946 20 5 CDBDRO COC[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000886114496 845072866 /nfs/dbraw/zinc/07/28/66/845072866.db2.gz QJQCFHKFMAAUQM-LLVKDONJSA-N 1 0 251.286 1.504 20 5 CDBDRO CS[C@H]1CN(Cc2cccnc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000886094521 845079466 /nfs/dbraw/zinc/07/94/66/845079466.db2.gz UOSYJXNJRIKEPD-RYUDHWBXSA-N 1 0 296.396 1.467 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@@H](C[NH3+])C2CC2)c1[N+](=O)[O-] ZINC000237659453 845110527 /nfs/dbraw/zinc/11/05/27/845110527.db2.gz XWEXWSPZAYKQSI-NSHDSACASA-N 1 0 281.287 1.509 20 5 CDBDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(C)C ZINC000839699071 845137424 /nfs/dbraw/zinc/13/74/24/845137424.db2.gz IAUSUPQSIVZVDS-JHJVBQTASA-N 1 0 285.388 1.524 20 5 CDBDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000809981308 845208978 /nfs/dbraw/zinc/20/89/78/845208978.db2.gz GQYHCFXXADRCAF-GUTXKFCHSA-N 1 0 290.319 1.824 20 5 CDBDRO C[C@@H](C(=O)OCC[NH+]1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000861389668 845267774 /nfs/dbraw/zinc/26/77/74/845267774.db2.gz TZYDIXZKIRLRGZ-LLVKDONJSA-N 1 0 278.308 1.947 20 5 CDBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1O ZINC000128516972 845351345 /nfs/dbraw/zinc/35/13/45/845351345.db2.gz XAYLYMCHHCMGRF-NEPJUHHUSA-N 1 0 295.295 1.752 20 5 CDBDRO CC1(C)CNC(=O)[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000931661332 845351695 /nfs/dbraw/zinc/35/16/95/845351695.db2.gz DGWBKHVWRKZRJR-GFCCVEGCSA-N 1 0 293.323 1.088 20 5 CDBDRO C[C@H]1CC[C@H]1[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877831485 845356448 /nfs/dbraw/zinc/35/64/48/845356448.db2.gz UYPJJRWPAWSQKV-KQURDKLPSA-N 1 0 280.324 1.377 20 5 CDBDRO CC(C)[N@H+](C)CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000804406823 845440885 /nfs/dbraw/zinc/44/08/85/845440885.db2.gz MDMHDRYDSRUJLD-UHFFFAOYSA-N 1 0 252.318 1.929 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000706507923 845488420 /nfs/dbraw/zinc/48/84/20/845488420.db2.gz XQIZHEIDRGQRJC-AOOOYVTPSA-N 1 0 295.726 1.540 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([NH3+])CC2)c1C ZINC000884004956 845599967 /nfs/dbraw/zinc/59/99/67/845599967.db2.gz PQMIHHTWJLTAPP-UHFFFAOYSA-N 1 0 277.324 1.775 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000884027577 845670624 /nfs/dbraw/zinc/67/06/24/845670624.db2.gz GXFDHBZILAPSHF-GFCCVEGCSA-N 1 0 291.351 1.893 20 5 CDBDRO CO[C@H]1CC[C@@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000851992074 845761494 /nfs/dbraw/zinc/76/14/94/845761494.db2.gz BIVLWMIFHJXIGZ-OLZOCXBDSA-N 1 0 294.355 1.996 20 5 CDBDRO C[N@@H+]1CC[C@](O)(CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000702622006 845773268 /nfs/dbraw/zinc/77/32/68/845773268.db2.gz DQRSCIQPLOJRHM-LBPRGKRZSA-N 1 0 285.731 1.727 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000872266207 845862139 /nfs/dbraw/zinc/86/21/39/845862139.db2.gz CGEIQFDSPLDDKM-PHIMTYICSA-N 1 0 293.279 1.581 20 5 CDBDRO CCc1nn(C)c(N2CCC[C@@H](C[NH2+]C)C2)c1[N+](=O)[O-] ZINC000091561319 845882949 /nfs/dbraw/zinc/88/29/49/845882949.db2.gz DMCVJNBHTQJYNI-JTQLQIEISA-N 1 0 281.360 1.327 20 5 CDBDRO CC[C@]1(O)CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000879313119 845958593 /nfs/dbraw/zinc/95/85/93/845958593.db2.gz FYOZWAFCCGQQBD-CABCVRRESA-N 1 0 294.351 1.865 20 5 CDBDRO C[C@H]1C[NH+](Cc2cccnc2[N+](=O)[O-])C[C@H](C)C1O ZINC000886279397 846071588 /nfs/dbraw/zinc/07/15/88/846071588.db2.gz XVPPWWUZCFRAPS-UWVGGRQHSA-N 1 0 265.313 1.439 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC(C[NH+](C)C)C1 ZINC000823255440 846073074 /nfs/dbraw/zinc/07/30/74/846073074.db2.gz XBPNCDZINLGQJQ-UHFFFAOYSA-N 1 0 291.351 1.845 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC(C)([NH+]2CCC2)CC1 ZINC000882966134 846094681 /nfs/dbraw/zinc/09/46/81/846094681.db2.gz WKLUYFROMMXJKO-UHFFFAOYSA-N 1 0 279.344 1.393 20 5 CDBDRO CC1(C)CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[NH2+]1 ZINC000866327067 846104970 /nfs/dbraw/zinc/10/49/70/846104970.db2.gz SUKVEPBNTWLMFB-UHFFFAOYSA-N 1 0 295.314 1.487 20 5 CDBDRO [NH3+]CCCc1cn(Cc2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC000881227144 846170561 /nfs/dbraw/zinc/17/05/61/846170561.db2.gz LNDGXSHLZKLLFJ-UHFFFAOYSA-N 1 0 295.730 1.779 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935977186 846207739 /nfs/dbraw/zinc/20/77/39/846207739.db2.gz RBYCVVJKSPKSLU-ZLKJLUDKSA-N 1 0 291.351 1.765 20 5 CDBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H](CO)C2CC2)c(F)c1 ZINC000795992511 846345857 /nfs/dbraw/zinc/34/58/57/846345857.db2.gz KJHSHAZQSVYWFZ-LBPRGKRZSA-N 1 0 272.251 1.734 20 5 CDBDRO COC[C@H](O)CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815599299 846358630 /nfs/dbraw/zinc/35/86/30/846358630.db2.gz PWWYGXJAESHOCX-MWLCHTKSSA-N 1 0 283.328 1.225 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)N(C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000861601564 846381237 /nfs/dbraw/zinc/38/12/37/846381237.db2.gz AUPKAYCCWBYYAW-QWRGUYRKSA-N 1 0 294.355 1.953 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCOC1 ZINC000866311909 846503156 /nfs/dbraw/zinc/50/31/56/846503156.db2.gz WWEGEZLPYNHABY-QMTHXVAHSA-N 1 0 298.314 1.406 20 5 CDBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000826861109 846618753 /nfs/dbraw/zinc/61/87/53/846618753.db2.gz RQFGEDWSNZGPNN-CYBMUJFWSA-N 1 0 299.415 1.916 20 5 CDBDRO C[NH+](C)CCCCC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000854496252 846665937 /nfs/dbraw/zinc/66/59/37/846665937.db2.gz CMFJZQHRDKMWSC-UHFFFAOYSA-N 1 0 280.328 1.847 20 5 CDBDRO C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000313450779 846723472 /nfs/dbraw/zinc/72/34/72/846723472.db2.gz BZQNVAIMGTXDDU-CMPLNLGQSA-N 1 0 277.324 1.742 20 5 CDBDRO CNC(=O)c1ccc(NC[C@H]2CC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000712554903 846843351 /nfs/dbraw/zinc/84/33/51/846843351.db2.gz DSRPCGDPXUWALE-SNVBAGLBSA-N 1 0 278.312 1.070 20 5 CDBDRO CC(C)(CCC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[N+](=O)[O-] ZINC000826014088 846854386 /nfs/dbraw/zinc/85/43/86/846854386.db2.gz VJACKPSFHWYSAD-CYBMUJFWSA-N 1 0 297.399 1.766 20 5 CDBDRO O=C(N[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050325804 846884763 /nfs/dbraw/zinc/88/47/63/846884763.db2.gz NBMPZQGWVMMCFW-AAVRWANBSA-N 1 0 295.383 1.326 20 5 CDBDRO CCN1CC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000708691189 846952325 /nfs/dbraw/zinc/95/23/25/846952325.db2.gz YPVQFWZKPADNLL-GXFFZTMASA-N 1 0 277.324 1.866 20 5 CDBDRO CC[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)[NH+]1CCCC1 ZINC000076268106 846960972 /nfs/dbraw/zinc/96/09/72/846960972.db2.gz PBYMNZLFHHZCIF-VIFPVBQESA-N 1 0 280.332 1.253 20 5 CDBDRO COC(=O)[C@H]1[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000794968837 846961816 /nfs/dbraw/zinc/96/18/16/846961816.db2.gz SISURYIETNMBGA-PJXYFTJBSA-N 1 0 294.282 1.585 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000852095533 847022669 /nfs/dbraw/zinc/02/26/69/847022669.db2.gz AMUJOUQYWMTUPP-WFASDCNBSA-N 1 0 295.383 1.947 20 5 CDBDRO CCc1nn(C)c(NC[C@@]2(C)CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000129288238 847046854 /nfs/dbraw/zinc/04/68/54/847046854.db2.gz IWVAMZWOVLUNDU-ZDUSSCGKSA-N 1 0 281.360 1.692 20 5 CDBDRO C[NH+](C)CCCOC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000792018065 847056031 /nfs/dbraw/zinc/05/60/31/847056031.db2.gz ZTCKRFUQVALZTP-UHFFFAOYSA-N 1 0 285.275 1.425 20 5 CDBDRO CO[C@@H](C[NH3+])Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000232130564 847103697 /nfs/dbraw/zinc/10/36/97/847103697.db2.gz MCFCNEDRQQLSIB-SNVBAGLBSA-N 1 0 278.268 1.161 20 5 CDBDRO CC[C@@H]([NH3+])CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817979853 847112453 /nfs/dbraw/zinc/11/24/53/847112453.db2.gz PUBKKYJDHYPKPN-PSASIEDQSA-N 1 0 252.318 1.565 20 5 CDBDRO CO[C@H]1CCC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000886026611 847185202 /nfs/dbraw/zinc/18/52/02/847185202.db2.gz ZRTGXXCVVKOJSH-AAEUAGOBSA-N 1 0 282.344 1.729 20 5 CDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000128463575 847266522 /nfs/dbraw/zinc/26/65/22/847266522.db2.gz OTLLJEMWFUZVGC-NWDGAFQWSA-N 1 0 268.288 1.983 20 5 CDBDRO Nc1ccc(-c2noc(C[C@@H]3CC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000822634195 847289142 /nfs/dbraw/zinc/28/91/42/847289142.db2.gz FNVVXUQVGBOPEM-QMMMGPOBSA-N 1 0 289.295 1.379 20 5 CDBDRO [NH3+][C@H]1C[C@H](c2nc(Cc3ccccc3[N+](=O)[O-])no2)C1 ZINC000854134765 847437355 /nfs/dbraw/zinc/43/73/55/847437355.db2.gz ORIHSSGELOORIC-MGCOHNPYSA-N 1 0 274.280 1.773 20 5 CDBDRO COc1ccc(CN(C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000311174197 847527292 /nfs/dbraw/zinc/52/72/92/847527292.db2.gz VFHAORXSFUXHPW-SECBINFHSA-N 1 0 253.302 1.382 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000702660729 847537784 /nfs/dbraw/zinc/53/77/84/847537784.db2.gz QCDYZEVYSBSQAU-APPZFPTMSA-N 1 0 267.260 1.296 20 5 CDBDRO CCC[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001000151507 847577127 /nfs/dbraw/zinc/57/71/27/847577127.db2.gz XFTCFPWEROEPJG-CHWSQXEVSA-N 1 0 295.383 1.422 20 5 CDBDRO CCC[N@H+](C)C[C@@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173450584 847599686 /nfs/dbraw/zinc/59/96/86/847599686.db2.gz WIXUOJKVMOGWFJ-LBPRGKRZSA-N 1 0 281.360 1.413 20 5 CDBDRO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1CN1CCCC1 ZINC000839949661 847681925 /nfs/dbraw/zinc/68/19/25/847681925.db2.gz MPBNZKUGEKCEDV-AWEZNQCLSA-N 1 0 291.307 1.585 20 5 CDBDRO CC(C)(C[NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000818433026 847700235 /nfs/dbraw/zinc/70/02/35/847700235.db2.gz ISPSZDDLCCBXEG-UHFFFAOYSA-N 1 0 285.731 1.849 20 5 CDBDRO CC[C@@H]1CN(Cn2nccc2[N+](=O)[O-])CCCO1 ZINC000799164415 847716550 /nfs/dbraw/zinc/71/65/50/847716550.db2.gz RELPXZJBBUYJOH-SNVBAGLBSA-N 1 0 254.290 1.250 20 5 CDBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H](C)C1 ZINC000866060551 847976451 /nfs/dbraw/zinc/97/64/51/847976451.db2.gz FUVDGKLVEZICMR-NSHDSACASA-N 1 0 294.355 1.490 20 5 CDBDRO Nc1ccc(-c2noc(C[C@@H]([NH3+])C3CC3)n2)cc1[N+](=O)[O-] ZINC000843169856 848019128 /nfs/dbraw/zinc/01/91/28/848019128.db2.gz UXEASUWQRSBAQM-SNVBAGLBSA-N 1 0 289.295 1.507 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](F)[C@H](O)C1 ZINC001173220441 912304810 /nfs/dbraw/zinc/30/48/10/912304810.db2.gz ADSJXWGYIHOOQI-DDTOSNHZSA-N 1 0 282.315 1.931 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](O)C1 ZINC001173229280 912321568 /nfs/dbraw/zinc/32/15/68/912321568.db2.gz SFBIJCQKPUZOQU-ZWNOBZJWSA-N 1 0 250.298 1.592 20 5 CDBDRO C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000148419897 913900110 /nfs/dbraw/zinc/90/01/10/913900110.db2.gz OFWQZJYWWLINDG-HTQZYQBOSA-N 1 0 270.720 1.830 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(-n2ccc(C[NH3+])cc2=N)n1 ZINC001167690031 898208686 /nfs/dbraw/zinc/20/86/86/898208686.db2.gz MVAJLZBYHNLAEC-UHFFFAOYSA-N 1 0 259.269 1.027 20 5 CDBDRO Cc1nc(N[C@@]23CCC[C@@H]2[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000711687799 904018144 /nfs/dbraw/zinc/01/81/44/904018144.db2.gz AIUBTZZSHRYFKJ-WCQYABFASA-N 1 0 262.313 1.995 20 5 CDBDRO CC(=O)c1cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001225810303 904294929 /nfs/dbraw/zinc/29/49/29/904294929.db2.gz AAZCQEUHDJQFCN-CYBMUJFWSA-N 1 0 280.344 1.252 20 5 CDBDRO CN(C)c1ccc(N[C@H]2C[NH2+]CC[C@H]2F)c([N+](=O)[O-])c1 ZINC001168230953 907950686 /nfs/dbraw/zinc/95/06/86/907950686.db2.gz IJDXKXSZBQSUKI-PWSUYJOCSA-N 1 0 282.319 1.773 20 5 CDBDRO C[C@H](CCNc1ccc([N+](=O)[O-])c2nonc21)[NH+](C)C ZINC000697905098 909563587 /nfs/dbraw/zinc/56/35/87/909563587.db2.gz FBYDHMANZODTDC-MRVPVSSYSA-N 1 0 279.300 1.883 20 5 CDBDRO CC(C)(C)C(=O)OC1CC(OCC[N+](C)(C)C)C1 ZINC001224775968 910703383 /nfs/dbraw/zinc/70/33/83/910703383.db2.gz QJYRQXLLRPICKG-UHFFFAOYSA-N 1 0 258.382 1.830 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@@H](O)[C@@H](F)C1)CC2 ZINC001172904765 912036157 /nfs/dbraw/zinc/03/61/57/912036157.db2.gz AJAVQNMQCWZEJQ-VHDGCEQUSA-N 1 0 294.326 1.857 20 5 CDBDRO CC(C)[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178450208 915418626 /nfs/dbraw/zinc/41/86/26/915418626.db2.gz XUUAOFARSOOYEV-VXGBXAGGSA-N 1 0 271.361 1.326 20 5 CDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cocn1 ZINC001124778605 917631581 /nfs/dbraw/zinc/63/15/81/917631581.db2.gz RAPKBHTYXCHWJE-UHFFFAOYSA-N 1 0 290.279 1.102 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC001117687913 921980175 /nfs/dbraw/zinc/98/01/75/921980175.db2.gz RALZWTKTEKMYDT-QWRGUYRKSA-N 1 0 276.340 1.757 20 5 CDBDRO COC(=O)N(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000689555970 936767328 /nfs/dbraw/zinc/76/73/28/936767328.db2.gz YZOHCGNWDDGWGM-UHFFFAOYSA-N 1 0 273.314 1.444 20 5 CDBDRO Cc1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)nn1C ZINC000840946056 936969463 /nfs/dbraw/zinc/96/94/63/936969463.db2.gz HAMKMKVJUAHCFJ-UHFFFAOYSA-N 1 0 289.339 1.602 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cc2c(cc1O)C=NCC2 ZINC001230921369 925580370 /nfs/dbraw/zinc/58/03/70/925580370.db2.gz LVHANLLMJJMCIK-LLVKDONJSA-O 1 0 263.361 1.841 20 5 CDBDRO C[NH+](C)CCNc1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC000082496329 926060779 /nfs/dbraw/zinc/06/07/79/926060779.db2.gz ILGLREYNXUNBIU-UHFFFAOYSA-N 1 0 285.735 1.889 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](Nc2nc(Cl)ncc2[N+](=O)[O-])C1 ZINC001154978212 926268433 /nfs/dbraw/zinc/26/84/33/926268433.db2.gz QOQLKXNKMLMSDT-RNFRBKRXSA-N 1 0 271.708 1.720 20 5 CDBDRO [NH3+][C@@H]1CCN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])C1 ZINC001156228671 927508918 /nfs/dbraw/zinc/50/89/18/927508918.db2.gz KDJWIEJLHAFUFK-SSDOTTSWSA-N 1 0 293.714 1.729 20 5 CDBDRO [NH3+]CCc1cnn(-c2ccc3cnccc3c2[N+](=O)[O-])c1 ZINC001168949358 927555993 /nfs/dbraw/zinc/55/59/93/927555993.db2.gz KDRDJMJQGDQPOR-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO [NH3+][C@@H]1CCc2nn([C@H]3CC[C@@H](C[N+](=O)[O-])C3)cc2C1 ZINC001168977798 927566591 /nfs/dbraw/zinc/56/65/91/927566591.db2.gz MAWKHRDUNKGEIF-JLLWLGSASA-N 1 0 264.329 1.317 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1nccc2c1cccc2[N+](=O)[O-] ZINC001168984181 927572473 /nfs/dbraw/zinc/57/24/73/927572473.db2.gz XWJOYJAWQHBXNT-UHFFFAOYSA-N 1 0 298.306 1.533 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2cncs2)C1 ZINC001168984653 927573239 /nfs/dbraw/zinc/57/32/39/927573239.db2.gz PMPDOYYJUVGBPU-ZJUUUORDSA-N 1 0 255.343 1.721 20 5 CDBDRO Cc1ccc(C[NH3+])nc1N(C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168963220 927584475 /nfs/dbraw/zinc/58/44/75/927584475.db2.gz OTOOUYJEWAYDJY-YPMHNXCESA-N 1 0 278.356 1.730 20 5 CDBDRO CCOC(=O)CCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168971960 927594685 /nfs/dbraw/zinc/59/46/85/927594685.db2.gz MAWBTHVLZMTTRK-QWRGUYRKSA-N 1 0 258.318 1.365 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CC(O)(C(F)(F)F)C2)C1 ZINC001168974695 927598613 /nfs/dbraw/zinc/59/86/13/927598613.db2.gz SLRRTRIUZDKZME-XHHQTKHESA-N 1 0 282.262 1.477 20 5 CDBDRO COC(=O)N1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168995084 927600575 /nfs/dbraw/zinc/60/05/75/927600575.db2.gz RFOPWMOVAVIQRH-ZYHUDNBSSA-N 1 0 285.344 1.252 20 5 CDBDRO O=C1Nc2ccccc2[C@@H]1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169001700 927605652 /nfs/dbraw/zinc/60/56/52/927605652.db2.gz HPPRVLJFHULFFI-LOWVWBTDSA-N 1 0 289.335 1.757 20 5 CDBDRO CN(C)C(=O)N1CCC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168987293 927622889 /nfs/dbraw/zinc/62/28/89/927622889.db2.gz HYBXLMNMJBENOH-XQQFMLRXSA-N 1 0 298.387 1.167 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)C1 ZINC001169039505 927650532 /nfs/dbraw/zinc/65/05/32/927650532.db2.gz QIPXIXKIBMHRRY-SSRBZLIGSA-N 1 0 294.273 1.836 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)C1 ZINC001169039503 927651310 /nfs/dbraw/zinc/65/13/10/927651310.db2.gz QIPXIXKIBMHRRY-QHZLYTNSSA-N 1 0 294.273 1.836 20 5 CDBDRO CN(C1CC1)[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169044519 927656585 /nfs/dbraw/zinc/65/65/85/927656585.db2.gz HZNRPXLGRSYUFJ-MRVWCRGKSA-N 1 0 267.373 1.600 20 5 CDBDRO [NH3+]CCc1cn(-c2cnc([N+](=O)[O-])cn2)c2cccnc12 ZINC001169710569 928366656 /nfs/dbraw/zinc/36/66/56/928366656.db2.gz MUXYGOJERNMHMK-UHFFFAOYSA-N 1 0 284.279 1.225 20 5 CDBDRO COC(=O)c1cnc(-n2cccc2C[NH3+])c([N+](=O)[O-])c1 ZINC001156723978 928946357 /nfs/dbraw/zinc/94/63/57/928946357.db2.gz QORFONCBDVOOLA-UHFFFAOYSA-N 1 0 276.252 1.026 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(N[C@H]2C[NH2+]C[C@H]2CO)c1F ZINC001170781942 929970599 /nfs/dbraw/zinc/97/05/99/929970599.db2.gz LFPPLYZCXSUNFC-KWQFWETISA-N 1 0 269.276 1.035 20 5 CDBDRO CC(C)([NH3+])CNc1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001171191353 931845848 /nfs/dbraw/zinc/84/58/48/931845848.db2.gz QNZTVMHURJEGJK-UHFFFAOYSA-N 1 0 250.262 1.015 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC001118204889 937602864 /nfs/dbraw/zinc/60/28/64/937602864.db2.gz QJCASDNPVIQRGM-UWVGGRQHSA-N 1 0 292.339 1.446 20 5 CDBDRO [NH3+]Cc1cn(-c2ccc(-c3ccccc3[N+](=O)[O-])nn2)cn1 ZINC001154910663 937603388 /nfs/dbraw/zinc/60/33/88/937603388.db2.gz LXEVDLXYJKKRCU-UHFFFAOYSA-N 1 0 296.290 1.696 20 5 CDBDRO COc1cc(NC[C@@H]2CCCC[NH2+]2)cnc1[N+](=O)[O-] ZINC001171334252 932753213 /nfs/dbraw/zinc/75/32/13/932753213.db2.gz IHBOMCFBMCGJAE-VIFPVBQESA-N 1 0 266.301 1.552 20 5 CDBDRO [NH3+]C1CC2(C1)CC(NC(=O)Cc1cccc([N+](=O)[O-])c1)C2 ZINC001122434321 937931576 /nfs/dbraw/zinc/93/15/76/937931576.db2.gz QQRBSISPUJNRHE-UHFFFAOYSA-N 1 0 289.335 1.523 20 5 CDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC001122457875 937933528 /nfs/dbraw/zinc/93/35/28/937933528.db2.gz YVRYXNHMTANJMO-UHFFFAOYSA-N 1 0 277.324 1.601 20 5 CDBDRO C[N@@H+]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C(C)(C)C1 ZINC001156591663 938390322 /nfs/dbraw/zinc/39/03/22/938390322.db2.gz XSJAWRABZZSRHS-NSHDSACASA-N 1 0 292.339 1.247 20 5 CDBDRO Cc1nc(Cl)nc(NC(=N)SCC[NH3+])c1[N+](=O)[O-] ZINC001157128164 938457311 /nfs/dbraw/zinc/45/73/11/938457311.db2.gz DKRTYXDMQXUTPK-UHFFFAOYSA-N 1 0 290.736 1.385 20 5 CDBDRO Cc1ccnc(-n2ccc3c2CC[NH2+]C3)c1[N+](=O)[O-] ZINC001157442995 938491976 /nfs/dbraw/zinc/49/19/76/938491976.db2.gz PZJSCGNIOJMSOL-UHFFFAOYSA-N 1 0 258.281 1.735 20 5 CDBDRO CC(C)N(c1ncc([N+](=O)[O-])cc1N)[C@@H]1CC[NH2+]C1 ZINC001158032813 938577196 /nfs/dbraw/zinc/57/71/96/938577196.db2.gz MJMNGLDXYDAFFR-SECBINFHSA-N 1 0 265.317 1.149 20 5 CDBDRO CC[N@@H+]1CCN(c2c(C)c([N+](=O)[O-])cc[n+]2[O-])C(C)(C)C1 ZINC001158561442 938637196 /nfs/dbraw/zinc/63/71/96/938637196.db2.gz DTOYHQNTABCTGC-UHFFFAOYSA-N 1 0 294.355 1.457 20 5 CDBDRO [NH3+]CCc1cn(-c2cc([N+](=O)[O-])cc[n+]2[O-])c2cccnc12 ZINC001158746070 938659334 /nfs/dbraw/zinc/65/93/34/938659334.db2.gz NYLHGEKYYWFVJO-UHFFFAOYSA-N 1 0 299.290 1.068 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC3(C2)CCC[NH2+]C3)n1 ZINC001159019641 938691362 /nfs/dbraw/zinc/69/13/62/938691362.db2.gz LSNRUOLHBRFNAA-UHFFFAOYSA-N 1 0 297.746 1.536 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)[C@H]2C[NH2+]CCO2)n1 ZINC001159498693 938734950 /nfs/dbraw/zinc/73/49/50/938734950.db2.gz MEFSCDOAAUJACY-WDEREUQCSA-N 1 0 280.328 1.395 20 5 CDBDRO O=[N+]([O-])c1ccnc(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c1 ZINC001160737848 938822482 /nfs/dbraw/zinc/82/24/82/938822482.db2.gz RJCOSWBUNPIIRE-IUCAKERBSA-N 1 0 290.245 1.942 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])Nc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001160914686 938843238 /nfs/dbraw/zinc/84/32/38/938843238.db2.gz TUTGNSSQASUHGX-QMMMGPOBSA-N 1 0 288.735 1.667 20 5 CDBDRO CC[N+](C)(C)Cc1ccccc1NCC(=O)NC1CC1 ZINC001161897950 938940815 /nfs/dbraw/zinc/94/08/15/938940815.db2.gz UAVYBHHTZJEVKM-UHFFFAOYSA-O 1 0 276.404 1.973 20 5 CDBDRO CC(F)(F)CNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001162230937 938966660 /nfs/dbraw/zinc/96/66/60/938966660.db2.gz XJUPWKKATSPJAM-UHFFFAOYSA-N 1 0 273.243 1.139 20 5 CDBDRO CC(=O)Nc1ccc(N[C@@H]2CC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC001162677233 939112979 /nfs/dbraw/zinc/11/29/79/939112979.db2.gz BTRWQVCGLFSLEQ-LDYMZIIASA-N 1 0 278.312 1.716 20 5 CDBDRO Cc1cnc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)c([N+](=O)[O-])c1 ZINC001162789433 939139049 /nfs/dbraw/zinc/13/90/49/939139049.db2.gz FMKJZUPVTRESJC-GMTAPVOTSA-N 1 0 260.297 1.484 20 5 CDBDRO Cc1nc(NC[C@@H]2CC[NH2+]C[C@@H]2F)ccc1[N+](=O)[O-] ZINC001162801895 939145696 /nfs/dbraw/zinc/14/56/96/939145696.db2.gz JBHNVANWBQBFRH-UWVGGRQHSA-N 1 0 268.292 1.658 20 5 CDBDRO O=[N+]([O-])c1cc2cc[nH]c2c(NC[C@@]23C[NH2+][C@@H](CO2)C3)c1 ZINC001163197432 939223614 /nfs/dbraw/zinc/22/36/14/939223614.db2.gz VOVABCAIDIOFNU-QMTHXVAHSA-N 1 0 288.307 1.619 20 5 CDBDRO O=[N+]([O-])c1ncccc1NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163277621 939238322 /nfs/dbraw/zinc/23/83/22/939238322.db2.gz FIAXBUSUTQWVPA-FZMZJTMJSA-N 1 0 292.339 1.560 20 5 CDBDRO C[NH2+]CCN(C)c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001163718777 939313884 /nfs/dbraw/zinc/31/38/84/939313884.db2.gz FZSJOZRKSURDKN-UHFFFAOYSA-N 1 0 261.285 1.194 20 5 CDBDRO CN(c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)C1CC(F)(F)C1 ZINC001163771454 939326148 /nfs/dbraw/zinc/32/61/48/939326148.db2.gz WTSJKLMZYAHELA-UHFFFAOYSA-N 1 0 299.281 1.306 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1ncc2cccc([N+](=O)[O-])c2n1 ZINC001163980988 939369594 /nfs/dbraw/zinc/36/95/94/939369594.db2.gz CRTJLEHTIANPMT-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1nc(Cl)ccc1[N+](=O)[O-] ZINC001163985422 939372249 /nfs/dbraw/zinc/37/22/49/939372249.db2.gz PTILOVVXPLGIOF-UHFFFAOYSA-N 1 0 267.676 1.596 20 5 CDBDRO CC1(Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])CCC1 ZINC001164030487 939390107 /nfs/dbraw/zinc/39/01/07/939390107.db2.gz XZHGBSUXHAPHOV-UHFFFAOYSA-N 1 0 263.301 1.426 20 5 CDBDRO O=[N+]([O-])c1cccc2ccc(-n3cnc4c3C[NH2+]CC4)nc21 ZINC001164313715 939452479 /nfs/dbraw/zinc/45/24/79/939452479.db2.gz PQURGIMSZKAWLF-UHFFFAOYSA-N 1 0 295.302 1.974 20 5 CDBDRO O=C(NCCC1(C[NH2+]CC2CCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494860 939479432 /nfs/dbraw/zinc/47/94/32/939479432.db2.gz WDOXUDIWWDRCJT-CHWSQXEVSA-N 1 0 295.383 1.328 20 5 CDBDRO Cc1ccnc(N2CC([N@@H+](C)[C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001165203857 939523281 /nfs/dbraw/zinc/52/32/81/939523281.db2.gz JTMRILPUBGEFJJ-LLVKDONJSA-N 1 0 292.339 1.208 20 5 CDBDRO O=[N+]([O-])c1ccc2ncc(N3CCC[C@@H]4[NH2+]C[C@H]43)nc2c1 ZINC001165389225 939556759 /nfs/dbraw/zinc/55/67/59/939556759.db2.gz FRUDZNHTALSSIY-WCQYABFASA-N 1 0 285.307 1.479 20 5 CDBDRO Nc1ccc(O[C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001217973117 941032467 /nfs/dbraw/zinc/03/24/67/941032467.db2.gz BYUMXBKOTAQAQO-JTQLQIEISA-N 1 0 251.286 1.698 20 5 CDBDRO CCOC(=O)c1ccc(O[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001218285367 941052067 /nfs/dbraw/zinc/05/20/67/941052067.db2.gz LHNBDCHSPFUZDD-LLVKDONJSA-N 1 0 294.307 1.902 20 5 CDBDRO COc1cc(OC)nc(CO[C@H](C)C[N+](C)(C)C)n1 ZINC001223761166 941696707 /nfs/dbraw/zinc/69/67/07/941696707.db2.gz NNEDFDMQCOUKQZ-SNVBAGLBSA-N 1 0 270.353 1.105 20 5 CDBDRO C[N@@H+]1CCC[C@H]1CO[C@H](C[N+](=O)[O-])c1cccnc1 ZINC001224817402 941795713 /nfs/dbraw/zinc/79/57/13/941795713.db2.gz PAEORJFHIAHCDR-QWHCGFSZSA-N 1 0 265.313 1.510 20 5 CDBDRO Cc1ccc2[nH]ccc2c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225437886 941859536 /nfs/dbraw/zinc/85/95/36/941859536.db2.gz SNOYMDROIULITN-GFCCVEGCSA-N 1 0 291.371 1.839 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225666155 941896692 /nfs/dbraw/zinc/89/66/92/941896692.db2.gz GXONDMGDZIRDIW-QMMMGPOBSA-N 1 0 253.258 1.168 20 5 CDBDRO C[N@@H+]1CCC[C@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])CC1 ZINC001225667043 941897232 /nfs/dbraw/zinc/89/72/32/941897232.db2.gz ORMNVKXRTHKURM-VIFPVBQESA-N 1 0 267.285 1.559 20 5 CDBDRO COC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)nc1 ZINC001225767122 941911035 /nfs/dbraw/zinc/91/10/35/941911035.db2.gz ZPDXMTOIASVLHJ-SNVBAGLBSA-N 1 0 253.322 1.342 20 5 CDBDRO CC(=O)Cc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001226847352 942083776 /nfs/dbraw/zinc/08/37/76/942083776.db2.gz SGEITPPFVVJMFE-CQSZACIVSA-N 1 0 294.371 1.181 20 5 CDBDRO C[N@@H+]1CC[C@H](Oc2[nH]c(=O)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001227089856 942130337 /nfs/dbraw/zinc/13/03/37/942130337.db2.gz AYWLFEIBHYXYAO-VIFPVBQESA-N 1 0 290.279 1.327 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(O[C@H]3C[NH+]4CCC3CC4)nc2c1 ZINC001227747219 942217653 /nfs/dbraw/zinc/21/76/53/942217653.db2.gz YQKACCBKZGAONQ-ZDUSSCGKSA-N 1 0 288.307 1.944 20 5 CDBDRO C[C@H](C[NH+](C)C)Oc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001227746479 942218010 /nfs/dbraw/zinc/21/80/10/942218010.db2.gz SPZJRIUEDXJQJZ-MRVPVSSYSA-N 1 0 264.285 1.800 20 5 CDBDRO COC(=O)c1cc(O)cc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001228092502 942268906 /nfs/dbraw/zinc/26/89/06/942268906.db2.gz JZJZTJMVHSRNCN-SNVBAGLBSA-O 1 0 268.333 1.652 20 5 CDBDRO Cc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ncc1Cl ZINC001228745498 942369703 /nfs/dbraw/zinc/36/97/03/942369703.db2.gz KYPDDABZNARSIO-SNVBAGLBSA-N 1 0 287.767 1.406 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC001228769319 942373245 /nfs/dbraw/zinc/37/32/45/942373245.db2.gz QCTVALOOHDJECR-LBPRGKRZSA-N 1 0 294.307 1.854 20 5 CDBDRO CC(C)c1cccc(O)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001229707942 942513578 /nfs/dbraw/zinc/51/35/78/942513578.db2.gz OJSASRPRGGUQQG-GFCCVEGCSA-O 1 0 296.387 1.878 20 5 CDBDRO Cc1cc(O)c(OC[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC001229755135 942526582 /nfs/dbraw/zinc/52/65/82/942526582.db2.gz WAYXQIXQYHKUCJ-JTQLQIEISA-N 1 0 282.296 1.318 20 5 CDBDRO C[N@H+](CCCNC(=O)C1CC1)Cc1ccccc1[N+](=O)[O-] ZINC001231064673 942772215 /nfs/dbraw/zinc/77/22/15/942772215.db2.gz LOOSWXCHMWTOFL-UHFFFAOYSA-N 1 0 291.351 1.943 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1nccc2[nH]nc(N)c21 ZINC001233962000 943701984 /nfs/dbraw/zinc/70/19/84/943701984.db2.gz FOHNVLPDDLIWMR-MRVPVSSYSA-N 1 0 250.326 1.014 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC001263172484 943774736 /nfs/dbraw/zinc/77/47/36/943774736.db2.gz XFOPRSDCJRPPJW-DTWKUNHWSA-N 1 0 295.364 1.878 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261376894 946086169 /nfs/dbraw/zinc/08/61/69/946086169.db2.gz ATLBZGMMBORPFQ-VIFPVBQESA-N 1 0 278.312 1.357 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC(CO)C1 ZINC001254537031 947516448 /nfs/dbraw/zinc/51/64/48/947516448.db2.gz VZNBYSAILXCALQ-ZBOXLXRLSA-N 1 0 264.325 1.886 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC(=O)N1C ZINC001254538758 947516729 /nfs/dbraw/zinc/51/67/29/947516729.db2.gz AKYIBOYVYFKACU-YPMHNXCESA-N 1 0 291.351 1.736 20 5 CDBDRO CO[C@@H]1COCC[C@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254574910 947534020 /nfs/dbraw/zinc/53/40/20/947534020.db2.gz LZPACSNFSMURQP-NWANDNLSSA-N 1 0 292.335 1.456 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCOC1)C2 ZINC001254585368 947540075 /nfs/dbraw/zinc/54/00/75/947540075.db2.gz WCFJAZZSSSTUJJ-GWCFXTLKSA-N 1 0 262.309 1.688 20 5 CDBDRO CC[NH+]1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254597329 947544729 /nfs/dbraw/zinc/54/47/29/947544729.db2.gz HKZDUJMSRWWUJQ-OAHLLOKOSA-N 1 0 275.352 1.700 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCCC[C@H](O)C1)C2 ZINC001254595755 947545012 /nfs/dbraw/zinc/54/50/12/947545012.db2.gz ZKEXVTWRYYJOOB-GJZGRUSLSA-N 1 0 276.336 1.909 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@H]1CCC[NH2+]1)CC2 ZINC001333163722 953782682 /nfs/dbraw/zinc/78/26/82/953782682.db2.gz VGXNHRQMBWJHAE-CYBMUJFWSA-N 1 0 261.325 1.705 20 5 CDBDRO CCOc1ccc(C(=O)NCC[C@H](C)[NH2+]C)cc1[N+](=O)[O-] ZINC001326275622 954295555 /nfs/dbraw/zinc/29/55/55/954295555.db2.gz KUMBFSMQKMAFPN-JTQLQIEISA-N 1 0 295.339 1.721 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC001329483075 955943380 /nfs/dbraw/zinc/94/33/80/955943380.db2.gz IYYFVZQMYLCOEC-JTQLQIEISA-N 1 0 294.355 1.389 20 5 CDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C[NH2+]C(C)(C)C ZINC001321237153 959672116 /nfs/dbraw/zinc/67/21/16/959672116.db2.gz KAKMRDLLWGZORO-UHFFFAOYSA-N 1 0 293.367 1.984 20 5 CDBDRO C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])N(C)C ZINC001336698879 960479001 /nfs/dbraw/zinc/47/90/01/960479001.db2.gz HOBDTXPLFBRTHT-LLVKDONJSA-N 1 0 294.355 1.463 20 5 CDBDRO C[NH+](C)[C@]1(CNc2cc(N)c([N+](=O)[O-])cn2)CCSC1 ZINC001337886109 961490328 /nfs/dbraw/zinc/49/03/28/961490328.db2.gz WPSMESAMTPDZNE-LBPRGKRZSA-N 1 0 297.384 1.421 20 5 CDBDRO C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC001341108067 963279037 /nfs/dbraw/zinc/27/90/37/963279037.db2.gz HOVOVDJURIBDRM-INTQDDNPSA-N 1 0 263.297 1.509 20 5 CDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341777728 963539455 /nfs/dbraw/zinc/53/94/55/963539455.db2.gz LLZAKQGERBLUOB-QSLWVIQJSA-N 1 0 287.319 1.032 20 5 CDBDRO Cc1cc(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc([N+](=O)[O-])c1 ZINC001342897708 963852632 /nfs/dbraw/zinc/85/26/32/963852632.db2.gz LXWRDZXEOAGBOX-TZMCWYRMSA-N 1 0 275.308 1.841 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001354523967 968757121 /nfs/dbraw/zinc/75/71/21/968757121.db2.gz RWLCRUQWYUFGHO-DTORHVGOSA-N 1 0 295.364 1.784 20 5 CDBDRO [NH3+][C@H]1C[C@H](CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001354523948 968758059 /nfs/dbraw/zinc/75/80/59/968758059.db2.gz RRVRSYSWAJVVPJ-RETIQXCHSA-N 1 0 289.335 1.552 20 5 CDBDRO Nc1cc(NCC[N@H+]2CC=CCC2)ncc1[N+](=O)[O-] ZINC001515721179 969914147 /nfs/dbraw/zinc/91/41/47/969914147.db2.gz UBNSSUVHTLHKHP-UHFFFAOYSA-N 1 0 263.301 1.246 20 5 CDBDRO [NH3+]C1CC2(C1)CC(NC(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC001515274064 976419874 /nfs/dbraw/zinc/41/98/74/976419874.db2.gz ZKIBYHXOEKLHSL-UHFFFAOYSA-N 1 0 275.308 1.595 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CNOC1 ZINC001574979721 1171074617 /nfs/dbraw/zinc/07/46/17/1171074617.db2.gz LPXNYBOXZORJQZ-JSJZCHLLSA-N 1 0 263.297 1.491 20 5 CDBDRO CC(C)(NC(=O)OC1C[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001575379721 1171162650 /nfs/dbraw/zinc/16/26/50/1171162650.db2.gz BOYCIDQCPBYJIA-UHFFFAOYSA-N 1 0 279.296 1.528 20 5 CDBDRO C[C@@]([NH3+])(C(=O)NC1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC001576080674 1171326089 /nfs/dbraw/zinc/32/60/89/1171326089.db2.gz FPUOLUFUWKNPHH-AWEZNQCLSA-N 1 0 275.308 1.604 20 5 CDBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C[NH2+]C ZINC001577096351 1171599894 /nfs/dbraw/zinc/59/98/94/1171599894.db2.gz LGYKKRQGBIGKGE-YPMHNXCESA-N 1 0 293.367 1.888 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000070175053 1171646640 /nfs/dbraw/zinc/64/66/40/1171646640.db2.gz PEQGDQOHQSJHDT-UWVGGRQHSA-N 1 0 250.302 1.553 20 5 CDBDRO C[NH2+][C@H]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001578609358 1171962373 /nfs/dbraw/zinc/96/23/73/1171962373.db2.gz QZKBXMMCHFWXKP-JTQLQIEISA-N 1 0 272.308 1.941 20 5 CDBDRO COC[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)OC ZINC000300581674 342466445 /nfs/dbraw/zinc/46/64/45/342466445.db2.gz VCJQHSFADCAWPY-ZDUSSCGKSA-N 1 0 268.313 1.388 20 5 CDBDRO Cc1cc(NC[C@@H]2CCCC[NH2+]2)ncc1[N+](=O)[O-] ZINC000092027568 342516781 /nfs/dbraw/zinc/51/67/81/342516781.db2.gz RIHXJXXOZIZICV-JTQLQIEISA-N 1 0 250.302 1.852 20 5 CDBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ccc([N+](=O)[O-])nc3)C2)C1 ZINC000590141939 342522622 /nfs/dbraw/zinc/52/26/22/342522622.db2.gz SSGJTMLKOSCVTR-CQSZACIVSA-N 1 0 276.340 1.912 20 5 CDBDRO CC[C@@]1([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])CCOC1 ZINC000616865624 342568520 /nfs/dbraw/zinc/56/85/20/342568520.db2.gz YFUCNTAZPVYRMW-CQSZACIVSA-N 1 0 293.323 1.692 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000070172119 361738127 /nfs/dbraw/zinc/73/81/27/361738127.db2.gz LFQVDOJIEWVPAT-CMPLNLGQSA-N 1 0 277.324 1.794 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000070172064 361738432 /nfs/dbraw/zinc/73/84/32/361738432.db2.gz ABLCTXDXRCSQPB-DGCLKSJQSA-N 1 0 291.351 1.723 20 5 CDBDRO C[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572751401 361739996 /nfs/dbraw/zinc/73/99/96/361739996.db2.gz HASPXIUBOBDINZ-GRYCIOLGSA-N 1 0 280.324 1.580 20 5 CDBDRO C[C@]1(O)CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000124815903 187155772 /nfs/dbraw/zinc/15/57/72/187155772.db2.gz BETUSRKTNGJGRW-ZDUSSCGKSA-N 1 0 250.298 1.942 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135359776 342070545 /nfs/dbraw/zinc/07/05/45/342070545.db2.gz UWDHNKQJGNKWDJ-PWSUYJOCSA-N 1 0 277.324 1.476 20 5 CDBDRO CC[NH2+]CCCNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000134354956 342070792 /nfs/dbraw/zinc/07/07/92/342070792.db2.gz OTADFYQEYWQFDC-UHFFFAOYSA-N 1 0 281.312 1.793 20 5 CDBDRO C[C@H]1CCC[N@H+](CCNc2c([N+](=O)[O-])ncn2C)C1 ZINC000048560084 342093112 /nfs/dbraw/zinc/09/31/12/342093112.db2.gz OTNIYWZRPNTXTP-JTQLQIEISA-N 1 0 267.333 1.472 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[NH2+]C1CC1 ZINC000591298917 342624521 /nfs/dbraw/zinc/62/45/21/342624521.db2.gz CHMCCYBYFMRUJV-UHFFFAOYSA-N 1 0 278.312 1.777 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](C)[NH3+] ZINC000591298997 342624577 /nfs/dbraw/zinc/62/45/77/342624577.db2.gz VHQJEMXYSFVLKF-QMMMGPOBSA-N 1 0 252.274 1.372 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000591354621 342627402 /nfs/dbraw/zinc/62/74/02/342627402.db2.gz FYDQQUMARPOQEP-NXEZZACHSA-N 1 0 280.328 1.611 20 5 CDBDRO C[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[C@H]1[NH3+] ZINC000591428593 342629902 /nfs/dbraw/zinc/62/99/02/342629902.db2.gz SWBVRTKLQWYZQL-MWLCHTKSSA-N 1 0 276.340 1.736 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591438664 342631976 /nfs/dbraw/zinc/63/19/76/342631976.db2.gz PGKPOWHKUQBKOS-PWSUYJOCSA-N 1 0 262.313 1.486 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1C[NH2+]CCC1(F)F ZINC000591668550 342641153 /nfs/dbraw/zinc/64/11/53/342641153.db2.gz FDWACSTUQNUFCN-LLVKDONJSA-N 1 0 299.277 1.456 20 5 CDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000591686199 342643269 /nfs/dbraw/zinc/64/32/69/342643269.db2.gz RFSAGZIIHYRPOF-UWVGGRQHSA-N 1 0 285.250 1.164 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]2[NH2+]CC2(C)C)cccc1[N+](=O)[O-] ZINC000591685652 342643320 /nfs/dbraw/zinc/64/33/20/342643320.db2.gz DLPUKKQGFXXWGR-LBPRGKRZSA-N 1 0 277.324 1.517 20 5 CDBDRO [NH3+]CCOCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000592235116 342680594 /nfs/dbraw/zinc/68/05/94/342680594.db2.gz PQUWKZJTRBQUBS-UHFFFAOYSA-N 1 0 293.323 1.061 20 5 CDBDRO CNc1ccc(C(=O)N(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000592298788 342684064 /nfs/dbraw/zinc/68/40/64/342684064.db2.gz QKNTVZCSJGWNMN-UHFFFAOYSA-N 1 0 266.301 1.057 20 5 CDBDRO CC1([NH3+])CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000592331172 342685321 /nfs/dbraw/zinc/68/53/21/342685321.db2.gz MTADPZNOESPXET-UHFFFAOYSA-N 1 0 277.324 1.477 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000592340031 342685756 /nfs/dbraw/zinc/68/57/56/342685756.db2.gz XUIGOICNXXMHMQ-VIFPVBQESA-N 1 0 266.301 1.104 20 5 CDBDRO COc1cc(C[NH2+][C@@H]2CO[C@H](C)C2)c([N+](=O)[O-])cc1O ZINC000592379615 342686986 /nfs/dbraw/zinc/68/69/86/342686986.db2.gz RMTOEKGZCAPTCT-SCZZXKLOSA-N 1 0 282.296 1.576 20 5 CDBDRO COc1cc(C(=O)NCC[NH2+]C2CC2)ccc1[N+](=O)[O-] ZINC000156699522 342161087 /nfs/dbraw/zinc/16/10/87/342161087.db2.gz WKNKOWAKYSZZMF-UHFFFAOYSA-N 1 0 279.296 1.085 20 5 CDBDRO COc1ccc(CN(C)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000592431317 342691586 /nfs/dbraw/zinc/69/15/86/342691586.db2.gz SNCHBUSPVBSQPO-UHFFFAOYSA-N 1 0 267.329 1.773 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000592557647 342709635 /nfs/dbraw/zinc/70/96/35/342709635.db2.gz PKHOCOXVRVRFEP-QWRGUYRKSA-N 1 0 293.323 1.650 20 5 CDBDRO CC[NH+](CC)[C@@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000078575047 342204701 /nfs/dbraw/zinc/20/47/01/342204701.db2.gz UXEBCZQRANZWDI-SNVBAGLBSA-N 1 0 267.333 1.249 20 5 CDBDRO C[C@@H]([NH3+])CCC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000070316067 361929254 /nfs/dbraw/zinc/92/92/54/361929254.db2.gz SBMBLYHSTZYLAL-SECBINFHSA-N 1 0 251.286 1.338 20 5 CDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000588775419 342221493 /nfs/dbraw/zinc/22/14/93/342221493.db2.gz DYPOPSSUHOQTGV-GXSJLCMTSA-N 1 0 293.327 1.017 20 5 CDBDRO CCN(CC[NH3+])[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000600716935 342244354 /nfs/dbraw/zinc/24/43/54/342244354.db2.gz NJHXIFWKUQBCND-JTQLQIEISA-N 1 0 280.328 1.202 20 5 CDBDRO CCN(CC[NH3+])[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000600715068 342246420 /nfs/dbraw/zinc/24/64/20/342246420.db2.gz DTPIYDGABXOLMX-JTQLQIEISA-N 1 0 280.328 1.202 20 5 CDBDRO [NH3+]CCCCn1cc(COc2ccccc2[N+](=O)[O-])nn1 ZINC000594646331 342930672 /nfs/dbraw/zinc/93/06/72/342930672.db2.gz YQVULXJHFZHWBD-UHFFFAOYSA-N 1 0 291.311 1.504 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000295216458 529451683 /nfs/dbraw/zinc/45/16/83/529451683.db2.gz MEKBIQUCABSWFM-ZJUUUORDSA-N 1 0 297.380 1.929 20 5 CDBDRO CO[C@@H](C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000594716033 342947200 /nfs/dbraw/zinc/94/72/00/342947200.db2.gz GWZMICFNEORNAR-JTQLQIEISA-N 1 0 281.312 1.548 20 5 CDBDRO Cc1c(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000127797620 342285366 /nfs/dbraw/zinc/28/53/66/342285366.db2.gz CXJSXVDIRVBSIL-GXFFZTMASA-N 1 0 293.323 1.091 20 5 CDBDRO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ncc1[N+](=O)[O-] ZINC000074769347 342303650 /nfs/dbraw/zinc/30/36/50/342303650.db2.gz NNHWAAOUPPQRTF-NEPJUHHUSA-N 1 0 276.340 1.971 20 5 CDBDRO [NH3+]C1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000595119502 343005655 /nfs/dbraw/zinc/00/56/55/343005655.db2.gz CGHZKXRQNDMUKW-UHFFFAOYSA-N 1 0 299.352 1.145 20 5 CDBDRO COc1cc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000595261322 343014503 /nfs/dbraw/zinc/01/45/03/343014503.db2.gz WERBXQSTBGKEOO-NXEZZACHSA-N 1 0 297.286 1.115 20 5 CDBDRO CCOc1ccc(C(=O)N2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000126200982 187223909 /nfs/dbraw/zinc/22/39/09/187223909.db2.gz QFERNDUTQIGAAY-JTQLQIEISA-N 1 0 293.323 1.427 20 5 CDBDRO CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000595505134 343079325 /nfs/dbraw/zinc/07/93/25/343079325.db2.gz NOBYZAJWBVFPOL-VIFPVBQESA-N 1 0 256.277 1.937 20 5 CDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595513548 343082539 /nfs/dbraw/zinc/08/25/39/343082539.db2.gz VRLRZPUVGUGZNB-NWDGAFQWSA-N 1 0 268.288 1.983 20 5 CDBDRO O=[N+]([O-])c1cnc(NCCN2CCCOCC2)c(F)c1 ZINC000515044830 362027902 /nfs/dbraw/zinc/02/79/02/362027902.db2.gz VMHWHSDUMMETHZ-UHFFFAOYSA-N 1 0 284.291 1.263 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1CCO[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000595926400 343183515 /nfs/dbraw/zinc/18/35/15/343183515.db2.gz DKLZFAHMOQLUET-ZWKOPEQDSA-N 1 0 293.323 1.136 20 5 CDBDRO Cc1c(CC(=O)NCC2([NH3+])CCCC2)cccc1[N+](=O)[O-] ZINC000595940577 343203778 /nfs/dbraw/zinc/20/37/78/343203778.db2.gz HCNBVXZALKFJDN-UHFFFAOYSA-N 1 0 291.351 1.833 20 5 CDBDRO COc1cccc([N+](=O)[O-])c1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000596015677 343219150 /nfs/dbraw/zinc/21/91/50/343219150.db2.gz GKUMKUXNACGOAE-GHMZBOCLSA-N 1 0 277.324 1.792 20 5 CDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC(C)(C)[NH3+] ZINC000595901019 343186585 /nfs/dbraw/zinc/18/65/85/343186585.db2.gz ACRSMKMUTMDVMR-JTQLQIEISA-N 1 0 294.355 1.591 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H]1CC1(C)C ZINC000595913879 343190375 /nfs/dbraw/zinc/19/03/75/343190375.db2.gz VYMVQHZFTLMOPA-SNVBAGLBSA-N 1 0 252.318 1.769 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000595920573 343192180 /nfs/dbraw/zinc/19/21/80/343192180.db2.gz VMAAHERGRNBNBW-GFCCVEGCSA-N 1 0 265.313 1.252 20 5 CDBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596104945 343228341 /nfs/dbraw/zinc/22/83/41/343228341.db2.gz GIDFOCIIKDVMRO-UHFFFAOYSA-N 1 0 292.339 1.447 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596127076 343237732 /nfs/dbraw/zinc/23/77/32/343237732.db2.gz TUAWDGNSLNZGOT-JTQLQIEISA-N 1 0 292.339 1.082 20 5 CDBDRO Cc1cc(NC[C@@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])s1 ZINC000596120419 343247611 /nfs/dbraw/zinc/24/76/11/343247611.db2.gz FLAALWIHPWOWFS-SNVBAGLBSA-N 1 0 284.385 1.622 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596238197 343283506 /nfs/dbraw/zinc/28/35/06/343283506.db2.gz LMAZNRFUAJCATF-SNVBAGLBSA-N 1 0 294.355 1.834 20 5 CDBDRO Cc1cc(N[C@H](CO)C[NH+](C)C)c([N+](=O)[O-])s1 ZINC000596244012 343285757 /nfs/dbraw/zinc/28/57/57/343285757.db2.gz NSGDRQXTYCFZFQ-QMMMGPOBSA-N 1 0 259.331 1.299 20 5 CDBDRO Cc1cnc(N2CC[C@H]([NH+](C)C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000596246644 343286200 /nfs/dbraw/zinc/28/62/00/343286200.db2.gz XMZMAEXCGNVIIG-QWRGUYRKSA-N 1 0 264.329 1.827 20 5 CDBDRO CC[N@@H+]1CCCN(c2ncccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000596268868 343280810 /nfs/dbraw/zinc/28/08/10/343280810.db2.gz LXHGQSAPDZYAPE-NSHDSACASA-N 1 0 264.329 1.910 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596334501 343297611 /nfs/dbraw/zinc/29/76/11/343297611.db2.gz ANJRKKBIFYZKRG-SECBINFHSA-N 1 0 280.328 1.980 20 5 CDBDRO COc1cc(C[NH2+][C@H](C)CCCCO)c([N+](=O)[O-])cc1O ZINC000295048352 199318922 /nfs/dbraw/zinc/31/89/22/199318922.db2.gz NGFYZEHNBREBPU-SNVBAGLBSA-N 1 0 298.339 1.950 20 5 CDBDRO C[NH2+]C1(CNc2ncnc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000598636487 343863301 /nfs/dbraw/zinc/86/33/01/343863301.db2.gz YHFVQBUHJOTDKS-UHFFFAOYSA-N 1 0 287.323 1.514 20 5 CDBDRO Cc1cccc(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)c1[N+](=O)[O-] ZINC000598668450 343871352 /nfs/dbraw/zinc/87/13/52/343871352.db2.gz SVBXVBWSBVSVMD-NHYWBVRUSA-N 1 0 289.335 1.857 20 5 CDBDRO CC[C@H]([NH3+])C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000515301815 362261078 /nfs/dbraw/zinc/26/10/78/362261078.db2.gz BZCUEKZUACFGJM-ZDUSSCGKSA-N 1 0 277.324 1.823 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCOC[C@H]1O ZINC000599078896 343956111 /nfs/dbraw/zinc/95/61/11/343956111.db2.gz CMJUPNIQNDJQCR-ZLKJLUDKSA-N 1 0 280.324 1.704 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000599175993 343966385 /nfs/dbraw/zinc/96/63/85/343966385.db2.gz MVQHKZRXHCWJHI-SNVBAGLBSA-N 1 0 281.312 1.082 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601557207 344191103 /nfs/dbraw/zinc/19/11/03/344191103.db2.gz NAPHBTGWZBDXSU-AAEUAGOBSA-N 1 0 289.335 1.809 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601561826 344191837 /nfs/dbraw/zinc/19/18/37/344191837.db2.gz CDDLIYPYEZPPLQ-WPRPVWTQSA-N 1 0 292.295 1.181 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000602084106 344329047 /nfs/dbraw/zinc/32/90/47/344329047.db2.gz QBLISKFWLGASDC-AWEZNQCLSA-N 1 0 291.351 1.738 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602428237 344422311 /nfs/dbraw/zinc/42/23/11/344422311.db2.gz IGWXLGCAPSOAGI-SECBINFHSA-N 1 0 281.287 1.415 20 5 CDBDRO CC[NH2+][C@@H](C)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000602459123 344438334 /nfs/dbraw/zinc/43/83/34/344438334.db2.gz OZMZNSKTTCEPOV-VIFPVBQESA-N 1 0 263.297 1.482 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000417979754 529997553 /nfs/dbraw/zinc/99/75/53/529997553.db2.gz JOEMECHECOMLJW-WDEREUQCSA-N 1 0 294.355 1.811 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000602778736 344595080 /nfs/dbraw/zinc/59/50/80/344595080.db2.gz LAHIDWRAHIMWGJ-ZDUSSCGKSA-N 1 0 295.387 1.373 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602826865 344612379 /nfs/dbraw/zinc/61/23/79/344612379.db2.gz OHWIZTPOCXUMAY-ZYHUDNBSSA-N 1 0 282.344 1.599 20 5 CDBDRO [NH3+]CCCc1cn(Cc2c(F)cc([N+](=O)[O-])cc2F)nn1 ZINC000603247564 344750797 /nfs/dbraw/zinc/75/07/97/344750797.db2.gz MTMCLSZSDAXXHF-UHFFFAOYSA-N 1 0 297.265 1.404 20 5 CDBDRO C[NH2+]Cc1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000603224214 344738242 /nfs/dbraw/zinc/73/82/42/344738242.db2.gz NKUCHNYLCBDPPZ-UHFFFAOYSA-N 1 0 265.248 1.093 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000128620873 344766405 /nfs/dbraw/zinc/76/64/05/344766405.db2.gz OYNSXIYEGVGPGM-YGRLFVJLSA-N 1 0 295.339 1.151 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)C2CCC2)cc1 ZINC000316462485 344952824 /nfs/dbraw/zinc/95/28/24/344952824.db2.gz SAXDPGXZCPRIRF-CQSZACIVSA-N 1 0 264.325 1.888 20 5 CDBDRO CC1(CNC(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000129081496 362502869 /nfs/dbraw/zinc/50/28/69/362502869.db2.gz PTZJGBXSTIZBMZ-UHFFFAOYSA-N 1 0 277.324 1.714 20 5 CDBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000344189497 362549318 /nfs/dbraw/zinc/54/93/18/362549318.db2.gz NWXUJQDMWHVBEE-ZDUSSCGKSA-N 1 0 295.314 1.804 20 5 CDBDRO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000159802599 362529620 /nfs/dbraw/zinc/52/96/20/362529620.db2.gz XMCKDMIRDRNFDO-ZDUSSCGKSA-N 1 0 277.324 1.333 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H](O)CC2)c1 ZINC000293133877 362532317 /nfs/dbraw/zinc/53/23/17/362532317.db2.gz NBJRBJOZYNHTNN-KBPBESRZSA-N 1 0 280.324 1.475 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000129213316 345277404 /nfs/dbraw/zinc/27/74/04/345277404.db2.gz DQIVIBJTFJMULE-ZYHUDNBSSA-N 1 0 277.324 1.476 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000015164195 362602208 /nfs/dbraw/zinc/60/22/08/362602208.db2.gz UCUZDSMRZBSNIA-LLVKDONJSA-N 1 0 292.339 1.590 20 5 CDBDRO CCO[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000610485191 346297240 /nfs/dbraw/zinc/29/72/40/346297240.db2.gz BBRGSZWUJSEDBU-LLVKDONJSA-N 1 0 268.317 1.292 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C(C1CC1)C1CC1 ZINC000610476282 346288916 /nfs/dbraw/zinc/28/89/16/346288916.db2.gz NOWLDIGIGHDVCW-UHFFFAOYSA-N 1 0 264.329 1.949 20 5 CDBDRO C[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000610559968 346310476 /nfs/dbraw/zinc/31/04/76/346310476.db2.gz DCVCUANZLMFBLN-JTQLQIEISA-N 1 0 265.313 1.204 20 5 CDBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000439659209 362730862 /nfs/dbraw/zinc/73/08/62/362730862.db2.gz DTFSRKGLVPVBAK-UWVGGRQHSA-N 1 0 251.290 1.279 20 5 CDBDRO O=C(CC[N@H+]1CCC[C@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000041886299 348712321 /nfs/dbraw/zinc/71/23/21/348712321.db2.gz PEGYRNBKCKCYEQ-NSHDSACASA-N 1 0 293.323 1.380 20 5 CDBDRO Cc1c(NC(=O)NCCn2ccnc2)cccc1[N+](=O)[O-] ZINC000043347924 348755160 /nfs/dbraw/zinc/75/51/60/348755160.db2.gz OKCXJWFXYCETHR-UHFFFAOYSA-N 1 0 289.295 1.921 20 5 CDBDRO CC[NH+]1CCN(CCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000058734063 348869537 /nfs/dbraw/zinc/86/95/37/348869537.db2.gz FAWVRZHNTFMFPB-UHFFFAOYSA-N 1 0 279.344 1.039 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNCc1ncc[nH]1 ZINC000108879714 186234465 /nfs/dbraw/zinc/23/44/65/186234465.db2.gz QXYNEZCGGFWNJZ-UHFFFAOYSA-N 1 0 262.269 1.616 20 5 CDBDRO C[C@@H]([NH3+])C1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000110647309 186310195 /nfs/dbraw/zinc/31/01/95/186310195.db2.gz VSKDNIQAWYZLKV-LLVKDONJSA-N 1 0 291.351 1.723 20 5 CDBDRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000110646425 186309339 /nfs/dbraw/zinc/30/93/39/186309339.db2.gz TUGCHEXAFDHYEP-JTQLQIEISA-N 1 0 277.324 1.794 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000312007896 350737877 /nfs/dbraw/zinc/73/78/77/350737877.db2.gz RILNVRVVHCKFJA-GFCCVEGCSA-N 1 0 267.304 1.918 20 5 CDBDRO CC[NH+](CC)C[C@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000078559578 350825997 /nfs/dbraw/zinc/82/59/97/350825997.db2.gz XQFIUMVUNZHWBV-LLVKDONJSA-N 1 0 281.360 1.496 20 5 CDBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C1CC1 ZINC000079767434 350966815 /nfs/dbraw/zinc/96/68/15/350966815.db2.gz KWSJTMQCBHZQQM-CYBMUJFWSA-N 1 0 250.298 1.798 20 5 CDBDRO CC[C@@H](C(N)=O)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282351538 351535320 /nfs/dbraw/zinc/53/53/20/351535320.db2.gz COGXCRLMDYKNDK-LBPRGKRZSA-N 1 0 265.313 1.333 20 5 CDBDRO CC(C)[NH2+]CCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000159605392 363053166 /nfs/dbraw/zinc/05/31/66/363053166.db2.gz VNGCHEOQZBVGSQ-UHFFFAOYSA-N 1 0 291.351 1.868 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000123915450 187114535 /nfs/dbraw/zinc/11/45/35/187114535.db2.gz DFZFHEAONSPABU-VIFPVBQESA-N 1 0 269.688 1.421 20 5 CDBDRO C[C@@H](CCCC[NH3+])NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000291991944 198128282 /nfs/dbraw/zinc/12/82/82/198128282.db2.gz BGCQRUBJWGAAJS-VIFPVBQESA-N 1 0 283.303 1.981 20 5 CDBDRO C[NH+](C)C[C@](C)(O)CNc1ncc([N+](=O)[O-])cc1Cl ZINC000132970733 187658550 /nfs/dbraw/zinc/65/85/50/187658550.db2.gz YKCBAXIZHDUARU-LLVKDONJSA-N 1 0 288.735 1.368 20 5 CDBDRO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000271664025 191265617 /nfs/dbraw/zinc/26/56/17/191265617.db2.gz YVBQFUYNOKDTCA-ZDUSSCGKSA-N 1 0 293.367 1.747 20 5 CDBDRO CN(C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000153466719 188084025 /nfs/dbraw/zinc/08/40/25/188084025.db2.gz HDOVIIRNHOURIN-LLVKDONJSA-N 1 0 277.324 1.761 20 5 CDBDRO C[N@H+](CCOCC1CC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154438870 188142189 /nfs/dbraw/zinc/14/21/89/188142189.db2.gz AVZYFPATGIXBPJ-HNNXBMFYSA-N 1 0 294.351 1.987 20 5 CDBDRO O=C1NCCCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000036976557 363303751 /nfs/dbraw/zinc/30/37/51/363303751.db2.gz FIJPKHFXTDQTJW-LBPRGKRZSA-N 1 0 263.297 1.353 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000168716711 188651996 /nfs/dbraw/zinc/65/19/96/188651996.db2.gz BTEGZJJMFGFFKD-CMPLNLGQSA-N 1 0 277.324 1.333 20 5 CDBDRO CO[C@](C)([C@@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000411948663 363384439 /nfs/dbraw/zinc/38/44/39/363384439.db2.gz NSCGPLPDXNCNGT-NOZJJQNGSA-N 1 0 282.344 1.622 20 5 CDBDRO CC(C)(CCC[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000293608360 198700192 /nfs/dbraw/zinc/70/01/92/198700192.db2.gz GQVDOSIQCACJLY-UHFFFAOYSA-N 1 0 265.313 1.842 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000163287841 356166626 /nfs/dbraw/zinc/16/66/26/356166626.db2.gz QGGPZXNKJNMATL-YUMQZZPRSA-N 1 0 269.326 1.466 20 5 CDBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000286270195 356240137 /nfs/dbraw/zinc/24/01/37/356240137.db2.gz HIKVVGKYKKYJPV-SNVBAGLBSA-N 1 0 250.302 1.520 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)N1C ZINC000358667674 356322156 /nfs/dbraw/zinc/32/21/56/356322156.db2.gz QYNYHWCVXRXBHO-AOOOYVTPSA-N 1 0 295.314 1.899 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134516773 356333390 /nfs/dbraw/zinc/33/33/90/356333390.db2.gz XVKLUPATYJFTDW-GFCCVEGCSA-N 1 0 291.351 1.943 20 5 CDBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000308710703 356335383 /nfs/dbraw/zinc/33/53/83/356335383.db2.gz NXZODRVTBNVBCA-MRVWCRGKSA-N 1 0 296.371 1.711 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCC(N)=O ZINC000286443678 356420103 /nfs/dbraw/zinc/42/01/03/356420103.db2.gz LXCRXLXDVLKTAU-VIFPVBQESA-N 1 0 251.286 1.463 20 5 CDBDRO CCC[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000037703265 356521778 /nfs/dbraw/zinc/52/17/78/356521778.db2.gz FXOOOTSGUYURFZ-UHFFFAOYSA-N 1 0 282.296 1.646 20 5 CDBDRO Cc1nc(N2CCC([C@@H]3CCC[NH2+]3)CC2)ncc1[N+](=O)[O-] ZINC000572827090 356652535 /nfs/dbraw/zinc/65/25/35/356652535.db2.gz SZFXUHBBARAGFI-LBPRGKRZSA-N 1 0 291.355 1.662 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000163502444 356798231 /nfs/dbraw/zinc/79/82/31/356798231.db2.gz KNGFKMCJWJJONW-ZYHUDNBSSA-N 1 0 291.351 1.960 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000084726588 357130914 /nfs/dbraw/zinc/13/09/14/357130914.db2.gz QWSAWCPWMSICQT-GFCCVEGCSA-N 1 0 278.356 1.561 20 5 CDBDRO COc1cc(CN2C[C@H](C)[C@H](O)C2)c([N+](=O)[O-])cc1F ZINC000341291691 357221361 /nfs/dbraw/zinc/22/13/61/357221361.db2.gz SZRMGEFZGKXSDF-QPUJVOFHSA-N 1 0 284.287 1.555 20 5 CDBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000290587573 357226760 /nfs/dbraw/zinc/22/67/60/357226760.db2.gz MALRLORRRSQDKU-LLVKDONJSA-N 1 0 297.359 1.028 20 5 CDBDRO COc1ccc(C[NH2+]CC2(C)COC2)cc1[N+](=O)[O-] ZINC000083523154 357251855 /nfs/dbraw/zinc/25/18/55/357251855.db2.gz XFQPKMPJMCCEJQ-UHFFFAOYSA-N 1 0 266.297 1.730 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1cccc([N+](=O)[O-])c1 ZINC000282654640 357460810 /nfs/dbraw/zinc/46/08/10/357460810.db2.gz IFOFLHZOLVAIKI-ZJUUUORDSA-N 1 0 283.303 1.720 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000186723975 357678850 /nfs/dbraw/zinc/67/88/50/357678850.db2.gz HNDNIEWDLMLIHE-BXUZGUMPSA-N 1 0 291.351 1.642 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000407997985 357742207 /nfs/dbraw/zinc/74/22/07/357742207.db2.gz ZJMWOPORHVXKKN-LBPRGKRZSA-N 1 0 293.371 1.496 20 5 CDBDRO COc1cc(C[NH2+][C@H](C)C[C@H](C)O)c([N+](=O)[O-])cc1OC ZINC000361029120 357769153 /nfs/dbraw/zinc/76/91/53/357769153.db2.gz HLVLYGDRNFZMDB-ZJUUUORDSA-N 1 0 298.339 1.861 20 5 CDBDRO O=C(N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000361099673 357800514 /nfs/dbraw/zinc/80/05/14/357800514.db2.gz WOQQKXPWZUXELW-CHWSQXEVSA-N 1 0 289.335 1.713 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135241651 357802268 /nfs/dbraw/zinc/80/22/68/357802268.db2.gz CWNHINIQKSHMGY-LBPRGKRZSA-N 1 0 263.297 1.087 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135243149 357803480 /nfs/dbraw/zinc/80/34/80/357803480.db2.gz YKWLCNYFHREHMA-CYBMUJFWSA-N 1 0 277.324 1.348 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCC1CC[NH2+]CC1 ZINC000135216447 357782653 /nfs/dbraw/zinc/78/26/53/357782653.db2.gz ABBOQBRGTWDYIX-UHFFFAOYSA-N 1 0 277.324 1.253 20 5 CDBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337472536 358048343 /nfs/dbraw/zinc/04/83/43/358048343.db2.gz QKINOSKFXXZLFU-GHMZBOCLSA-N 1 0 293.323 1.379 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2C[C@H]3CCC[NH2+][C@@H]3C2)c(F)c1 ZINC000337528445 358079113 /nfs/dbraw/zinc/07/91/13/358079113.db2.gz ZBHXXNASEIONHN-BXUZGUMPSA-N 1 0 279.315 1.918 20 5 CDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000193419955 358293240 /nfs/dbraw/zinc/29/32/40/358293240.db2.gz OPDNWCQNJHFXQH-NSHDSACASA-N 1 0 293.371 1.225 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000193545732 358302377 /nfs/dbraw/zinc/30/23/77/358302377.db2.gz QILKTRYBSWIQNW-WDEREUQCSA-N 1 0 293.323 1.230 20 5 CDBDRO COc1ccc(C[NH2+]CCC[C@H](C)O)cc1[N+](=O)[O-] ZINC000227956105 358661293 /nfs/dbraw/zinc/66/12/93/358661293.db2.gz APYIFYCWGLGAIN-JTQLQIEISA-N 1 0 268.313 1.854 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000264949013 358787228 /nfs/dbraw/zinc/78/72/28/358787228.db2.gz XUKLIRBSWAZVBI-MMQHEFTJSA-N 1 0 289.335 1.818 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000264962127 358800760 /nfs/dbraw/zinc/80/07/60/358800760.db2.gz ZVVKKKQOOAJBKN-LLVKDONJSA-N 1 0 295.339 1.430 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000381376654 359041248 /nfs/dbraw/zinc/04/12/48/359041248.db2.gz OEXKTQADOIULOD-DTWKUNHWSA-N 1 0 251.286 1.369 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000071978838 358997357 /nfs/dbraw/zinc/99/73/57/358997357.db2.gz OBSMYSBAPIWRIQ-LLVKDONJSA-N 1 0 265.313 1.267 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCSC1 ZINC000120037575 359068587 /nfs/dbraw/zinc/06/85/87/359068587.db2.gz FNFXCEBROWDIGL-VIFPVBQESA-N 1 0 256.331 1.229 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c1 ZINC000451700591 359072099 /nfs/dbraw/zinc/07/20/99/359072099.db2.gz XVODCFOIYZWUMU-YRGRVCCFSA-N 1 0 294.355 1.274 20 5 CDBDRO COC[C@](C)([NH3+])CNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000265064686 359083865 /nfs/dbraw/zinc/08/38/65/359083865.db2.gz UHOWRMCPPIHFQT-CYBMUJFWSA-N 1 0 281.312 1.573 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000342467664 359063506 /nfs/dbraw/zinc/06/35/06/359063506.db2.gz RLJYCAQVQNHQHD-PSASIEDQSA-N 1 0 295.364 1.869 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000127676649 359245470 /nfs/dbraw/zinc/24/54/70/359245470.db2.gz NPVIIMUXZGVTCH-UHFFFAOYSA-N 1 0 283.303 1.981 20 5 CDBDRO Cc1c(C[N@H+]2C[C@@H](O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000340906259 363632371 /nfs/dbraw/zinc/63/23/71/363632371.db2.gz ATWWYIPGBKZWSV-CABZTGNLSA-N 1 0 250.298 1.858 20 5 CDBDRO CCOC(=O)[C@](C)(O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296766993 199990371 /nfs/dbraw/zinc/99/03/71/199990371.db2.gz RAWGGQOGXSAEJG-IINYFYTJSA-N 1 0 296.323 1.560 20 5 CDBDRO Cc1nn(C)c(N2CC[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000265140642 359531910 /nfs/dbraw/zinc/53/19/10/359531910.db2.gz QCBCTAAIUGGDOI-SNVBAGLBSA-N 1 0 267.333 1.025 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c1 ZINC000408468204 359816537 /nfs/dbraw/zinc/81/65/37/359816537.db2.gz QDYFEAVGWCWCCQ-RISCZKNCSA-N 1 0 289.335 1.679 20 5 CDBDRO [NH3+]C[C@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000050249656 283519178 /nfs/dbraw/zinc/51/91/78/283519178.db2.gz PMRPEUXXHWZWEE-SNVBAGLBSA-N 1 0 272.308 1.928 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCC[C@H]1CCC[NH2+]1 ZINC000166696066 360221876 /nfs/dbraw/zinc/22/18/76/360221876.db2.gz SDAKXUOUILQAJM-GFCCVEGCSA-N 1 0 277.324 1.396 20 5 CDBDRO C[C@H](O)CCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000354877079 360261901 /nfs/dbraw/zinc/26/19/01/360261901.db2.gz YBGIZBYAGGTJEA-ZDUSSCGKSA-N 1 0 293.367 1.878 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000178553377 189126372 /nfs/dbraw/zinc/12/63/72/189126372.db2.gz JEIVZQVZDWUYTC-VIFPVBQESA-N 1 0 297.742 1.598 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000178665316 189135486 /nfs/dbraw/zinc/13/54/86/189135486.db2.gz HMNTXBDYNIWIEL-JTQLQIEISA-N 1 0 281.312 1.217 20 5 CDBDRO CSc1ccc(C(=O)N(C)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000179098459 189169761 /nfs/dbraw/zinc/16/97/61/189169761.db2.gz MROUWQKQYYURQW-SNVBAGLBSA-N 1 0 295.364 1.751 20 5 CDBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000367159750 361180578 /nfs/dbraw/zinc/18/05/78/361180578.db2.gz MTJQKGBIGFKLAJ-JTQLQIEISA-N 1 0 298.368 1.717 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H](C)[NH2+]1 ZINC000070076113 361238066 /nfs/dbraw/zinc/23/80/66/361238066.db2.gz KPGMZEVGVCKZPC-RKDXNWHRSA-N 1 0 281.287 1.556 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000159499920 361522668 /nfs/dbraw/zinc/52/26/68/361522668.db2.gz WSYJRUXTLKPYCQ-UHFFFAOYSA-N 1 0 269.276 1.415 20 5 CDBDRO CN1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000580886700 363958115 /nfs/dbraw/zinc/95/81/15/363958115.db2.gz RJDXWZUAUIBEKG-CYBMUJFWSA-N 1 0 277.324 1.647 20 5 CDBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[C@@H]1[NH3+] ZINC000582350866 364080505 /nfs/dbraw/zinc/08/05/05/364080505.db2.gz MYVSBSGNFAKETE-XCBNKYQSSA-N 1 0 254.265 1.302 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000088059299 364049508 /nfs/dbraw/zinc/04/95/08/364049508.db2.gz NKFRPIUTCQVUCZ-MRVPVSSYSA-N 1 0 267.260 1.168 20 5 CDBDRO O=C(C1CC[NH2+]CC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000262459541 283761961 /nfs/dbraw/zinc/76/19/61/283761961.db2.gz JNXYNJZPXZLQSL-UHFFFAOYSA-N 1 0 275.308 1.484 20 5 CDBDRO Cc1nc(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000268486180 364789709 /nfs/dbraw/zinc/78/97/09/364789709.db2.gz MMTAUMZBZXXSDR-QWRGUYRKSA-N 1 0 294.355 1.190 20 5 CDBDRO Cc1c(CNC[C@H](O)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000231885634 364997756 /nfs/dbraw/zinc/99/77/56/364997756.db2.gz XFMIHXLUEFQCIW-AWEZNQCLSA-N 1 0 293.367 1.450 20 5 CDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000573118248 365187803 /nfs/dbraw/zinc/18/78/03/365187803.db2.gz SHXHDAUIMQHTFN-NSHDSACASA-N 1 0 296.327 1.141 20 5 CDBDRO CN(CC1([NH+](C)C)CCC1)c1ncc([N+](=O)[O-])cn1 ZINC000275442126 193038817 /nfs/dbraw/zinc/03/88/17/193038817.db2.gz KEPGKCZCPLMBPA-UHFFFAOYSA-N 1 0 265.317 1.305 20 5 CDBDRO Cc1c(CC(=O)N2CC[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000275558697 193074749 /nfs/dbraw/zinc/07/47/49/193074749.db2.gz VDXKCQHQLXQRJO-JTQLQIEISA-N 1 0 277.324 1.266 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000312151589 367148155 /nfs/dbraw/zinc/14/81/55/367148155.db2.gz CQBHJWOJPCTAJF-TWGQIWQCSA-N 1 0 277.324 1.676 20 5 CDBDRO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000094340202 367153928 /nfs/dbraw/zinc/15/39/28/367153928.db2.gz FFWHYATXGKMYJE-JOYOIKCWSA-N 1 0 263.297 1.404 20 5 CDBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1COC[C@@H]1O ZINC000348631923 367591134 /nfs/dbraw/zinc/59/11/34/367591134.db2.gz GKLBVUOIGOOYSD-BVUKWYMNSA-N 1 0 278.308 1.300 20 5 CDBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000161994063 367923041 /nfs/dbraw/zinc/92/30/41/367923041.db2.gz AXKSLUKBKZKMQX-GFCCVEGCSA-N 1 0 297.359 1.013 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000089091474 368828279 /nfs/dbraw/zinc/82/82/79/368828279.db2.gz MXPHRZFCOCPTKC-VXGBXAGGSA-N 1 0 277.324 1.760 20 5 CDBDRO CCC(=O)c1ccc(N[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420154848 243892544 /nfs/dbraw/zinc/89/25/44/243892544.db2.gz SMVJMFXMDDGKQJ-SNVBAGLBSA-N 1 0 263.297 1.961 20 5 CDBDRO COC(=O)c1cnc(NCC2([NH3+])CCC2)c([N+](=O)[O-])c1 ZINC000420233022 243955978 /nfs/dbraw/zinc/95/59/78/243955978.db2.gz VKMGTYXXQVIQTJ-UHFFFAOYSA-N 1 0 280.284 1.070 20 5 CDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000330636101 203065074 /nfs/dbraw/zinc/06/50/74/203065074.db2.gz UWTZTBWHBPZOTR-RYUDHWBXSA-N 1 0 291.351 1.688 20 5 CDBDRO C[C@@H]1[C@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000420613696 244280893 /nfs/dbraw/zinc/28/08/93/244280893.db2.gz SMELXBACSPNITA-MWLCHTKSSA-N 1 0 292.339 1.588 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000330888257 203355929 /nfs/dbraw/zinc/35/59/29/203355929.db2.gz GDGBOWNOUGOZBW-YPMHNXCESA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@H](NC(=O)C[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000037766548 370079354 /nfs/dbraw/zinc/07/93/54/370079354.db2.gz VVHDAHUYQSEAGT-VIFPVBQESA-N 1 0 263.297 1.524 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN(C)C1(C[NH3+])CCC1 ZINC000385256380 370201032 /nfs/dbraw/zinc/20/10/32/370201032.db2.gz WXCBJJBBCJWEBP-UHFFFAOYSA-N 1 0 279.340 1.917 20 5 CDBDRO Cc1nc(NC[C@H](C)C[NH+](C)C)ncc1[N+](=O)[O-] ZINC000295644662 370548025 /nfs/dbraw/zinc/54/80/25/370548025.db2.gz FIFNEBMBXUKWHV-QMMMGPOBSA-N 1 0 253.306 1.303 20 5 CDBDRO C[C@H](C[NH3+])NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414929984 371108434 /nfs/dbraw/zinc/10/84/34/371108434.db2.gz OPZHQELOENPBGK-SSDOTTSWSA-N 1 0 275.255 1.633 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000422839769 245319818 /nfs/dbraw/zinc/31/98/18/245319818.db2.gz RFKOVVDAXJOWRJ-SNVBAGLBSA-N 1 0 293.323 1.427 20 5 CDBDRO Cc1c(CC(=O)N[C@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000422854466 245336214 /nfs/dbraw/zinc/33/62/14/245336214.db2.gz ASYJCFWQETZKCD-GFCCVEGCSA-N 1 0 277.324 1.299 20 5 CDBDRO CC[C@H](O)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000293788255 372784433 /nfs/dbraw/zinc/78/44/33/372784433.db2.gz UGQGLWNVKTUMAQ-GWCFXTLKSA-N 1 0 295.339 1.672 20 5 CDBDRO O=C(NCC1=CC[NH2+]CC1)c1ccc([N+](=O)[O-])s1 ZINC000189293500 373273569 /nfs/dbraw/zinc/27/35/69/373273569.db2.gz PZRKNPHPXVEHHQ-UHFFFAOYSA-N 1 0 267.310 1.306 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000192682755 373629334 /nfs/dbraw/zinc/62/93/34/373629334.db2.gz ZEXDMBZJRZEOAI-UHFFFAOYSA-N 1 0 269.326 1.434 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(O)CC2)c1 ZINC000269677493 373674895 /nfs/dbraw/zinc/67/48/95/373674895.db2.gz WSRBFPPTXLRTRG-ZDUSSCGKSA-N 1 0 266.297 1.085 20 5 CDBDRO C[C@H]([NH2+]CCN1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000296092789 373753060 /nfs/dbraw/zinc/75/30/60/373753060.db2.gz YHABCUJCYDATSX-LBPRGKRZSA-N 1 0 293.367 1.702 20 5 CDBDRO C[C@H](NC(=O)N1CC[NH2+][C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000418237093 374259893 /nfs/dbraw/zinc/25/98/93/374259893.db2.gz VMFNCPLDUSCCCU-MNOVXSKESA-N 1 0 292.339 1.659 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1 ZINC000368639845 374321381 /nfs/dbraw/zinc/32/13/81/374321381.db2.gz YGZNLCSAUCOZFQ-WDNDVIMCSA-N 1 0 262.309 1.307 20 5 CDBDRO Cc1c(CC(=O)NC[C@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000423460469 374383107 /nfs/dbraw/zinc/38/31/07/374383107.db2.gz SBVQECXIJVAFPN-SECBINFHSA-N 1 0 265.313 1.157 20 5 CDBDRO Cc1ccnc(NC[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000115516257 374411960 /nfs/dbraw/zinc/41/19/60/374411960.db2.gz JBRXPVGWKDSLOW-SNVBAGLBSA-N 1 0 250.302 1.804 20 5 CDBDRO CSCC[C@@H]([NH3+])C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000131015251 374441461 /nfs/dbraw/zinc/44/14/61/374441461.db2.gz IHHPORMQKLKVOB-LLVKDONJSA-N 1 0 297.380 1.634 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1C[NH3+] ZINC000424028707 246296977 /nfs/dbraw/zinc/29/69/77/246296977.db2.gz YXTSCGXBGSDXEH-ZJUUUORDSA-N 1 0 292.339 1.234 20 5 CDBDRO CC[N@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000299238573 374585671 /nfs/dbraw/zinc/58/56/71/374585671.db2.gz TWKMJSBDVJHRLZ-UHFFFAOYSA-N 1 0 295.339 1.546 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000377493419 374605939 /nfs/dbraw/zinc/60/59/39/374605939.db2.gz LMNPVJXTPPGBEH-GFCCVEGCSA-N 1 0 264.329 1.913 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)CC[C@@H]21 ZINC000154375260 374699796 /nfs/dbraw/zinc/69/97/96/374699796.db2.gz BZKPZIMRWPEOSD-QWRGUYRKSA-N 1 0 293.323 1.744 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000070173123 374654446 /nfs/dbraw/zinc/65/44/46/374654446.db2.gz NNNRSFODOAEYJC-RKDXNWHRSA-N 1 0 266.301 1.122 20 5 CDBDRO C[NH2+]CCC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000070190077 374655723 /nfs/dbraw/zinc/65/57/23/374655723.db2.gz QIVKUYDEKDBQFP-UHFFFAOYSA-N 1 0 264.329 1.816 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000449518864 374819146 /nfs/dbraw/zinc/81/91/46/374819146.db2.gz ORYRHSNQOJLDGG-OCCSQVGLSA-N 1 0 261.325 1.731 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000389846040 374764989 /nfs/dbraw/zinc/76/49/89/374764989.db2.gz QIKJCIBWEWMENI-RPHDQRHUSA-N 1 0 289.335 1.722 20 5 CDBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000277068162 374771027 /nfs/dbraw/zinc/77/10/27/374771027.db2.gz WUVRZAHQUGBPGM-QWHCGFSZSA-N 1 0 295.339 1.304 20 5 CDBDRO C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000280200401 374985449 /nfs/dbraw/zinc/98/54/49/374985449.db2.gz BKHZFDLLGLVOAX-UBHSHLNASA-N 1 0 294.351 1.890 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(=O)n1CC[NH+]1CCCCC1 ZINC000096553181 375110415 /nfs/dbraw/zinc/11/04/15/375110415.db2.gz WVRKRTJMHXLRSW-UHFFFAOYSA-N 1 0 265.313 1.551 20 5 CDBDRO COc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000299489225 375176340 /nfs/dbraw/zinc/17/63/40/375176340.db2.gz HVRUQFLSLVATDA-LLVKDONJSA-N 1 0 293.323 1.314 20 5 CDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1CC[NH2+]C[C@@H]1F ZINC001580574552 1172471835 /nfs/dbraw/zinc/47/18/35/1172471835.db2.gz SEERHTDPAMREMS-QWRGUYRKSA-N 1 0 299.277 1.093 20 5 CDBDRO Cc1cc(N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)ncn1 ZINC000302749635 375245268 /nfs/dbraw/zinc/24/52/68/375245268.db2.gz GNXXWXUPTBOFGN-UHFFFAOYSA-N 1 0 286.291 1.961 20 5 CDBDRO CC1(C)[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000129354996 375192079 /nfs/dbraw/zinc/19/20/79/375192079.db2.gz RLNOORODEVRWSN-NEPJUHHUSA-N 1 0 250.298 1.844 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000162240375 375299047 /nfs/dbraw/zinc/29/90/47/375299047.db2.gz AUBFDWBFCQAYNK-HTQZYQBOSA-N 1 0 269.326 1.656 20 5 CDBDRO [NH3+]C1(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000230064053 375307559 /nfs/dbraw/zinc/30/75/59/375307559.db2.gz LESXJTCIYZUMBI-UHFFFAOYSA-N 1 0 267.260 1.345 20 5 CDBDRO Cc1c(CC(=O)NC[C@@H]2CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000162373997 375337865 /nfs/dbraw/zinc/33/78/65/375337865.db2.gz MGMMWOGGOIMWFM-LBPRGKRZSA-N 1 0 291.351 1.514 20 5 CDBDRO C[C@H]1CSC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000352799989 375540792 /nfs/dbraw/zinc/54/07/92/375540792.db2.gz ZGCPVGLPZNXIML-WCBMZHEXSA-N 1 0 256.331 1.132 20 5 CDBDRO CCCC[C@H]([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000353436619 375607981 /nfs/dbraw/zinc/60/79/81/375607981.db2.gz HVRNNEWKVQWEHU-LBPRGKRZSA-N 1 0 295.339 1.737 20 5 CDBDRO CC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000058100148 375657612 /nfs/dbraw/zinc/65/76/12/375657612.db2.gz GYSZNIFJGZCDDR-SECBINFHSA-N 1 0 251.286 1.921 20 5 CDBDRO O=C(C[C@H]1CCC[NH2+]CC1)NCc1ccccc1[N+](=O)[O-] ZINC000427340644 247127399 /nfs/dbraw/zinc/12/73/99/247127399.db2.gz WBCWYMNPMWINDL-LBPRGKRZSA-N 1 0 291.351 1.991 20 5 CDBDRO CC1=CC[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000355320273 375790786 /nfs/dbraw/zinc/79/07/86/375790786.db2.gz PGCPVGNEMPEUFS-UHFFFAOYSA-N 1 0 289.335 1.977 20 5 CDBDRO Cc1c(NC(=O)[C@H](C)[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000134029536 375828362 /nfs/dbraw/zinc/82/83/62/375828362.db2.gz FXJGZHWJGRQLGG-VXNVDRBHSA-N 1 0 251.286 1.825 20 5 CDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])nn1C)C(C)(C)C[NH+](C)C ZINC000356738727 375858246 /nfs/dbraw/zinc/85/82/46/375858246.db2.gz DUKQGWCFPMNVIK-VIFPVBQESA-N 1 0 297.359 1.034 20 5 CDBDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000219065037 375942887 /nfs/dbraw/zinc/94/28/87/375942887.db2.gz IQPAOXVUQXKRPY-SKDRFNHKSA-N 1 0 270.354 1.797 20 5 CDBDRO Cc1ccc(NC[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC000134267466 375946910 /nfs/dbraw/zinc/94/69/10/375946910.db2.gz VNVWQAOGCBIOBN-SNVBAGLBSA-N 1 0 251.286 1.304 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000307916162 376314889 /nfs/dbraw/zinc/31/48/89/376314889.db2.gz VKEZTYBASDWUGO-LBPRGKRZSA-N 1 0 277.324 1.394 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCO[C@@H]1C ZINC000120991803 377055851 /nfs/dbraw/zinc/05/58/51/377055851.db2.gz IYDKJMVGCWOILK-BXKDBHETSA-N 1 0 266.297 1.870 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](CO)C1 ZINC000266912596 378658892 /nfs/dbraw/zinc/65/88/92/378658892.db2.gz JKJCRVVBIRGSQK-QWRGUYRKSA-N 1 0 250.298 1.970 20 5 CDBDRO CC(C)(C)[C@H](CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000278634719 194077855 /nfs/dbraw/zinc/07/78/55/194077855.db2.gz GQAKPXSFPXRYML-OLZOCXBDSA-N 1 0 282.340 1.625 20 5 CDBDRO CCOC1CC(O)(C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000444015643 250073599 /nfs/dbraw/zinc/07/35/99/250073599.db2.gz VUIYALTURPPMOF-UHFFFAOYSA-N 1 0 280.324 1.614 20 5 CDBDRO COC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444688388 250168455 /nfs/dbraw/zinc/16/84/55/250168455.db2.gz JKVAKTUFEYRGDH-ZDUSSCGKSA-N 1 0 290.323 1.986 20 5 CDBDRO Cc1ccc(C[NH2+][C@@]2(CCO)CCOC2)cc1[N+](=O)[O-] ZINC000447079494 250338807 /nfs/dbraw/zinc/33/88/07/250338807.db2.gz WCMYHGLFUFLNIK-AWEZNQCLSA-N 1 0 280.324 1.534 20 5 CDBDRO O=CN1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000278854335 194185515 /nfs/dbraw/zinc/18/55/15/194185515.db2.gz VUCLYTJFEYPMJK-UHFFFAOYSA-N 1 0 263.297 1.305 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000042167168 379549364 /nfs/dbraw/zinc/54/93/64/379549364.db2.gz FKOXMLRQDUTJEP-JTQLQIEISA-N 1 0 263.297 1.984 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000449750391 250998710 /nfs/dbraw/zinc/99/87/10/250998710.db2.gz IWYMZOWOTYNMKK-LBPRGKRZSA-N 1 0 293.323 1.230 20 5 CDBDRO O=[N+]([O-])c1ccccc1NC[C@@H]1CCC[N@H+]1CCCO ZINC000450600924 251361048 /nfs/dbraw/zinc/36/10/48/251361048.db2.gz XDPHADFNFMZHDU-LBPRGKRZSA-N 1 0 279.340 1.854 20 5 CDBDRO O=[N+]([O-])c1c(N2CC[C@@H]3[NH2+]CC[C@H]3C2)nc2sccn21 ZINC000261876293 285077969 /nfs/dbraw/zinc/07/79/69/285077969.db2.gz ZRQPLKVNHQEXSN-IUCAKERBSA-N 1 0 293.352 1.492 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493207093 253399648 /nfs/dbraw/zinc/39/96/48/253399648.db2.gz NSRPEXHSJVKENX-OGOUPESXSA-N 1 0 293.298 1.567 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)nc1 ZINC000266226412 285130266 /nfs/dbraw/zinc/13/02/66/285130266.db2.gz IMYFHYWYHKXMBQ-LBPRGKRZSA-N 1 0 260.297 1.440 20 5 CDBDRO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCOCCN3)c2c1 ZINC000413283433 285147811 /nfs/dbraw/zinc/14/78/11/285147811.db2.gz SQQJCIUIIBFDOV-UHFFFAOYSA-N 1 0 274.280 1.484 20 5 CDBDRO O=[N+]([O-])c1ccccc1N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261717208 285164105 /nfs/dbraw/zinc/16/41/05/285164105.db2.gz JWWJLOYVARGEPX-LBPRGKRZSA-N 1 0 276.340 1.079 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH+]3CCCC3)C2)nc1 ZINC000302090544 285173418 /nfs/dbraw/zinc/17/34/18/285173418.db2.gz GQQAQZLBGBCKBL-NSHDSACASA-N 1 0 277.328 1.449 20 5 CDBDRO O=[N+]([O-])c1cnn(CCN2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000174848170 285189199 /nfs/dbraw/zinc/18/91/99/285189199.db2.gz OURHCQIDTLBJBT-CYBMUJFWSA-N 1 0 293.371 1.352 20 5 CDBDRO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000186873955 390144558 /nfs/dbraw/zinc/14/45/58/390144558.db2.gz LTADVVNXZNBPPC-FZMZJTMJSA-N 1 0 280.324 1.676 20 5 CDBDRO CN(CCC[NH+]1CCCC1)c1c([N+](=O)[O-])ncn1C ZINC000281733779 195357629 /nfs/dbraw/zinc/35/76/29/195357629.db2.gz DSCYYSHRNLOIBB-UHFFFAOYSA-N 1 0 267.333 1.250 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H](C[NH3+])C1 ZINC000261698071 390482347 /nfs/dbraw/zinc/48/23/47/390482347.db2.gz FJSKBEKVXALIMU-KOLCDFICSA-N 1 0 292.339 1.376 20 5 CDBDRO CO[C@@]1(C)C[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000451499234 390627063 /nfs/dbraw/zinc/62/70/63/390627063.db2.gz WXCWSGNYIFCIQW-MFKMUULPSA-N 1 0 282.344 1.585 20 5 CDBDRO C[C@H](C[NH3+])N(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000430919297 390942381 /nfs/dbraw/zinc/94/23/81/390942381.db2.gz QCDFMJOIGUKFFV-SNVBAGLBSA-N 1 0 253.302 1.253 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000124545857 390915183 /nfs/dbraw/zinc/91/51/83/390915183.db2.gz ZGHRBAUAYPHNMJ-JTQLQIEISA-N 1 0 295.343 1.842 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000449640506 390920723 /nfs/dbraw/zinc/92/07/23/390920723.db2.gz SGHVQTOIXQFGJA-RKDXNWHRSA-N 1 0 267.285 1.435 20 5 CDBDRO C[NH2+]CCSCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000517137212 390968339 /nfs/dbraw/zinc/96/83/39/390968339.db2.gz DRAIUKHVSCMXAN-UHFFFAOYSA-N 1 0 266.326 1.924 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000411999296 390968884 /nfs/dbraw/zinc/96/88/84/390968884.db2.gz XJRHDGNGDSZMCK-ZWNOBZJWSA-N 1 0 298.314 1.611 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000452112962 391050785 /nfs/dbraw/zinc/05/07/85/391050785.db2.gz HPFZEDRRASCPLO-NSHDSACASA-N 1 0 281.360 1.243 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NCCCC[N@H+](C)C1CC1 ZINC000413348069 391204073 /nfs/dbraw/zinc/20/40/73/391204073.db2.gz NCNKFLJZZRQTRN-UHFFFAOYSA-N 1 0 267.333 1.615 20 5 CDBDRO Cc1nn(C)c(NCC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000413441647 391215000 /nfs/dbraw/zinc/21/50/00/391215000.db2.gz PXSYZXJPUNXSPO-NSHDSACASA-N 1 0 281.360 1.781 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000520310418 391262571 /nfs/dbraw/zinc/26/25/71/391262571.db2.gz IQBFPEGBPKXYFH-CQSZACIVSA-N 1 0 293.371 1.652 20 5 CDBDRO Cc1c(NC(=O)N(C)[C@@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000414717134 391352165 /nfs/dbraw/zinc/35/21/65/391352165.db2.gz XTZYXFJYVUKOHM-QMMMGPOBSA-N 1 0 266.301 1.714 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000415500882 391467510 /nfs/dbraw/zinc/46/75/10/391467510.db2.gz LULKIXKVLYOPIN-MRVPVSSYSA-N 1 0 280.284 1.168 20 5 CDBDRO CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000415630337 391469726 /nfs/dbraw/zinc/46/97/26/391469726.db2.gz KNTKWXYVVRTKIG-UHFFFAOYSA-N 1 0 282.275 1.687 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@H](C)[NH3+] ZINC000415656904 391470808 /nfs/dbraw/zinc/47/08/08/391470808.db2.gz LWZSPAVUACYMAX-VIFPVBQESA-N 1 0 296.327 1.852 20 5 CDBDRO Cc1nc(N2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292254654 391544504 /nfs/dbraw/zinc/54/45/04/391544504.db2.gz KIBCGKLPFICCGL-AWEZNQCLSA-N 1 0 276.340 1.830 20 5 CDBDRO C[C@H](CCC1CC1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000398139087 391640131 /nfs/dbraw/zinc/64/01/31/391640131.db2.gz NLUSXPNFOATQOI-ZWNOBZJWSA-N 1 0 282.344 1.321 20 5 CDBDRO CC1CCC([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304286307 130064584 /nfs/dbraw/zinc/06/45/84/130064584.db2.gz FPUGOBKXIZBDBM-YIZWMMSDSA-N 1 0 296.371 1.663 20 5 CDBDRO C[C@H](O)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000190813735 130149659 /nfs/dbraw/zinc/14/96/59/130149659.db2.gz ZJRBNPCTAYTSRZ-RYUDHWBXSA-N 1 0 298.339 1.037 20 5 CDBDRO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000190904123 130159062 /nfs/dbraw/zinc/15/90/62/130159062.db2.gz BVGWHCLFODJPOA-NEPJUHHUSA-N 1 0 280.324 1.534 20 5 CDBDRO CC[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000153397433 392223127 /nfs/dbraw/zinc/22/31/27/392223127.db2.gz HEZNGIYVGGCTAX-LLVKDONJSA-N 1 0 265.313 1.551 20 5 CDBDRO Cc1sc(C(=O)N2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237696604 131052722 /nfs/dbraw/zinc/05/27/22/131052722.db2.gz ZXXQVLIUYCATAA-MRVPVSSYSA-N 1 0 269.326 1.528 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000261572883 131153134 /nfs/dbraw/zinc/15/31/34/131153134.db2.gz LYGZEVBLVLJHJE-SSDOTTSWSA-N 1 0 255.249 1.072 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261595104 131154788 /nfs/dbraw/zinc/15/47/88/131154788.db2.gz NWTMVTMATUGPQM-IUCAKERBSA-N 1 0 281.337 1.338 20 5 CDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261723056 131164182 /nfs/dbraw/zinc/16/41/82/131164182.db2.gz QGSDJGUMFBORCX-CABZTGNLSA-N 1 0 293.298 1.558 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000262600620 131238979 /nfs/dbraw/zinc/23/89/79/131238979.db2.gz OUPMKUXRLRTQKJ-VIFPVBQESA-N 1 0 280.328 1.424 20 5 CDBDRO Nc1c(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000262612053 131241874 /nfs/dbraw/zinc/24/18/74/131241874.db2.gz FKKFJVYCMJNDQI-ONGXEEELSA-N 1 0 292.339 1.424 20 5 CDBDRO C[NH2+]CCN(C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000263230914 131286467 /nfs/dbraw/zinc/28/64/67/131286467.db2.gz HZYDTAKSUPCHNX-UHFFFAOYSA-N 1 0 281.312 1.042 20 5 CDBDRO O=C1C[C@@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CN1 ZINC000595403079 392565733 /nfs/dbraw/zinc/56/57/33/392565733.db2.gz AXQGOSIDYDENOR-GFCCVEGCSA-N 1 0 289.335 1.695 20 5 CDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC(C)(C)O ZINC000267157777 131827782 /nfs/dbraw/zinc/82/77/82/131827782.db2.gz PHIQMSMJGQQTHU-JTQLQIEISA-N 1 0 295.339 1.625 20 5 CDBDRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000419832649 392897626 /nfs/dbraw/zinc/89/76/26/392897626.db2.gz VOYFAKSLWDDUGI-OCCSQVGLSA-N 1 0 282.340 1.515 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH2+][C@H](C)C2)n1 ZINC000420188067 392900309 /nfs/dbraw/zinc/90/03/09/392900309.db2.gz FAMFGKZOYXTEFN-SNVBAGLBSA-N 1 0 250.302 1.405 20 5 CDBDRO [NH3+][C@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000420157379 392900484 /nfs/dbraw/zinc/90/04/84/392900484.db2.gz AYDYRXKSCLSQGF-JTQLQIEISA-N 1 0 258.281 1.680 20 5 CDBDRO C[NH2+]C[C@@H](C)CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000420214300 392905423 /nfs/dbraw/zinc/90/54/23/392905423.db2.gz VGIRHJPOAKWKGD-SECBINFHSA-N 1 0 275.312 1.227 20 5 CDBDRO C[C@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)[C@H](C[NH3+])C1 ZINC000420264349 392916491 /nfs/dbraw/zinc/91/64/91/392916491.db2.gz UXBQMMVHZVGSAB-UWVGGRQHSA-N 1 0 290.327 1.201 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000417847633 392874119 /nfs/dbraw/zinc/87/41/19/392874119.db2.gz KDVUVHWOEVQDQZ-NSHDSACASA-N 1 0 292.339 1.579 20 5 CDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH3+] ZINC000418296818 392879264 /nfs/dbraw/zinc/87/92/64/392879264.db2.gz JZPDDINVNLUSIO-UHFFFAOYSA-N 1 0 280.328 1.474 20 5 CDBDRO COc1cc(C(=O)N[C@@H](C)CCC[NH3+])cc([N+](=O)[O-])c1C ZINC000423697385 392966892 /nfs/dbraw/zinc/96/68/92/392966892.db2.gz ZPGZXNHYYVEPRG-VIFPVBQESA-N 1 0 295.339 1.769 20 5 CDBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[NH3+])cc1SC ZINC000194905869 393008109 /nfs/dbraw/zinc/00/81/09/393008109.db2.gz IAWLKRLBCVIYGJ-ZETCQYMHSA-N 1 0 299.352 1.402 20 5 CDBDRO CNC(=O)CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430211079 393092409 /nfs/dbraw/zinc/09/24/09/393092409.db2.gz WSHUTQQIEHEHCS-UHFFFAOYSA-N 1 0 295.339 1.561 20 5 CDBDRO CCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430204236 393093139 /nfs/dbraw/zinc/09/31/39/393093139.db2.gz GYTABOLEYCOMLA-UHFFFAOYSA-N 1 0 268.313 1.808 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H]1C[NH3+] ZINC000430577214 393100368 /nfs/dbraw/zinc/10/03/68/393100368.db2.gz YUNMJKSWGNTDNB-GFCCVEGCSA-N 1 0 292.339 1.265 20 5 CDBDRO [NH3+]CCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000449161240 393131014 /nfs/dbraw/zinc/13/10/14/393131014.db2.gz DYKGBKFMKMKWLC-UHFFFAOYSA-N 1 0 263.297 1.435 20 5 CDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000449619592 393135691 /nfs/dbraw/zinc/13/56/91/393135691.db2.gz CNQZZCSACBPFRK-KCXRBIIJSA-N 1 0 289.335 1.841 20 5 CDBDRO Cc1nc(N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000275369277 135105052 /nfs/dbraw/zinc/10/50/52/135105052.db2.gz NAVFAGSEMKUHAH-MNOVXSKESA-N 1 0 294.355 1.190 20 5 CDBDRO C[C@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000135237602 139885302 /nfs/dbraw/zinc/88/53/02/139885302.db2.gz CRGROYUGPIMEFA-SMDDNHRTSA-N 1 0 291.351 1.723 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000228105608 140191258 /nfs/dbraw/zinc/19/12/58/140191258.db2.gz BSNAVDTYGMAOFZ-ZKYQVNSYSA-N 1 0 262.309 1.798 20 5 CDBDRO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000231466343 140216068 /nfs/dbraw/zinc/21/60/68/140216068.db2.gz HYYOXPJEXPQZCK-ZDUSSCGKSA-N 1 0 291.351 1.738 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000236050906 140238853 /nfs/dbraw/zinc/23/88/53/140238853.db2.gz SZEMUSNRXFGXIY-BDAKNGLRSA-N 1 0 282.731 1.974 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000236051775 140238894 /nfs/dbraw/zinc/23/88/94/140238894.db2.gz YRQYJZPANNDPHD-QMMMGPOBSA-N 1 0 272.692 1.044 20 5 CDBDRO [NH3+]C1(CNc2ncc([N+](=O)[O-])cn2)CCCCC1 ZINC000261569422 140349783 /nfs/dbraw/zinc/34/97/83/140349783.db2.gz JTDBPLANAMLNRI-UHFFFAOYSA-N 1 0 251.290 1.458 20 5 CDBDRO [NH3+]C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261582859 140355875 /nfs/dbraw/zinc/35/58/75/140355875.db2.gz RLGLASGHLAZPIA-VIFPVBQESA-N 1 0 253.277 1.515 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)ccc1[N+](=O)[O-] ZINC000261587121 140357135 /nfs/dbraw/zinc/35/71/35/140357135.db2.gz JGBHTAXWSYBYRD-GXSJLCMTSA-N 1 0 263.297 1.465 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000261622792 140364355 /nfs/dbraw/zinc/36/43/55/140364355.db2.gz AIFWVDDYVBAXSU-AAEUAGOBSA-N 1 0 291.351 1.723 20 5 CDBDRO COCC1(CNc2ncc([N+](=O)[O-])cc2C)CC[NH2+]CC1 ZINC000261627005 140365774 /nfs/dbraw/zinc/36/57/74/140365774.db2.gz HGRHHVYKSWTRCY-UHFFFAOYSA-N 1 0 294.355 1.726 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000261646413 140368641 /nfs/dbraw/zinc/36/86/41/140368641.db2.gz JEUZSQVZNBKBGF-ZDMBXUJBSA-N 1 0 295.314 1.850 20 5 CDBDRO COC[C@]1(CNc2ncc([N+](=O)[O-])cc2C)CCC[NH2+]1 ZINC000261708355 140378736 /nfs/dbraw/zinc/37/87/36/140378736.db2.gz JFTUWLZSOBPVJP-CYBMUJFWSA-N 1 0 280.328 1.479 20 5 CDBDRO COc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000261775655 140388002 /nfs/dbraw/zinc/38/80/02/140388002.db2.gz WLNLNCRCTDDACX-RWMBFGLXSA-N 1 0 291.351 1.773 20 5 CDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000261839739 140396212 /nfs/dbraw/zinc/39/62/12/140396212.db2.gz ZRNJRSCGASNHRN-VIFPVBQESA-N 1 0 267.285 1.306 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000311757908 149217834 /nfs/dbraw/zinc/21/78/34/149217834.db2.gz HUUBYOYMFAKDTG-MRVPVSSYSA-N 1 0 269.276 1.414 20 5 CDBDRO CCOC[C@H]1CCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000354402450 286179930 /nfs/dbraw/zinc/17/99/30/286179930.db2.gz HTUGWOOTHADHBP-DGCLKSJQSA-N 1 0 282.344 1.586 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352665866 155336490 /nfs/dbraw/zinc/33/64/90/155336490.db2.gz GDNGBMLHVHXSGX-QWHCGFSZSA-N 1 0 280.324 1.949 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000346127259 153061890 /nfs/dbraw/zinc/06/18/90/153061890.db2.gz CHXAJPOHHZNHJU-VIFPVBQESA-N 1 0 283.303 1.343 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000346165829 153079924 /nfs/dbraw/zinc/07/99/24/153079924.db2.gz RFHKKBANJNFYEE-LLVKDONJSA-N 1 0 295.339 1.430 20 5 CDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[NH+]1CCC(C)CC1 ZINC000346420527 153178667 /nfs/dbraw/zinc/17/86/67/153178667.db2.gz RYQQFNHSOHJRBB-NSHDSACASA-N 1 0 294.355 1.773 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH2+]C)C1 ZINC000346632834 153250712 /nfs/dbraw/zinc/25/07/12/153250712.db2.gz FEZNYTYMRFQGQG-GFCCVEGCSA-N 1 0 279.340 1.787 20 5 CDBDRO CC(C)[C@H](CO)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000359813470 158386619 /nfs/dbraw/zinc/38/66/19/158386619.db2.gz RUPNFHBRXFWOGZ-NSHDSACASA-N 1 0 281.312 1.140 20 5 CDBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1ccc([N+](=O)[O-])cc1F ZINC000366605990 159387370 /nfs/dbraw/zinc/38/73/70/159387370.db2.gz UQSANDRRUJGPCL-GFCCVEGCSA-N 1 0 293.298 1.606 20 5 CDBDRO Cc1cccc(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)c1[N+](=O)[O-] ZINC000297404375 292415257 /nfs/dbraw/zinc/41/52/57/292415257.db2.gz PRDGBRARMFWDDF-ZYHUDNBSSA-N 1 0 277.324 1.855 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000373193347 160181403 /nfs/dbraw/zinc/18/14/03/160181403.db2.gz XXMPYZVNKIRZIC-XQQFMLRXSA-N 1 0 292.339 1.339 20 5 CDBDRO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285123770 196202338 /nfs/dbraw/zinc/20/23/38/196202338.db2.gz LEKAALMXLZPWIJ-SECBINFHSA-N 1 0 294.355 1.600 20 5 CDBDRO C[C@@H]([NH2+]CCCOCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285143492 196206679 /nfs/dbraw/zinc/20/66/79/196206679.db2.gz LXQRRAIWKQHNBW-SNVBAGLBSA-N 1 0 283.328 1.227 20 5 CDBDRO Cc1c(NC(=O)C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000037029846 172895995 /nfs/dbraw/zinc/89/59/95/172895995.db2.gz HBYBGLRPZMNCHB-UHFFFAOYSA-N 1 0 263.297 1.841 20 5 CDBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285763421 196390958 /nfs/dbraw/zinc/39/09/58/196390958.db2.gz ZNWXIIDSJIDNKF-SNVBAGLBSA-N 1 0 295.343 1.312 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000040593642 174347950 /nfs/dbraw/zinc/34/79/50/174347950.db2.gz VWYBTFROUFSXDX-SNVBAGLBSA-N 1 0 295.314 1.806 20 5 CDBDRO CNc1ccc(C(=O)NCC(C)(C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000041297198 174514373 /nfs/dbraw/zinc/51/43/73/174514373.db2.gz DLIVJCYBYFZIKJ-UHFFFAOYSA-N 1 0 294.355 1.707 20 5 CDBDRO Cc1nn(C)c(NC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000044538003 175199444 /nfs/dbraw/zinc/19/94/44/175199444.db2.gz FZFVNUKSHMITDE-SNVBAGLBSA-N 1 0 267.333 1.390 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000044537660 175200084 /nfs/dbraw/zinc/20/00/84/175200084.db2.gz XFTBPQVVPKVWTH-SNVBAGLBSA-N 1 0 250.302 1.744 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000044563214 175206590 /nfs/dbraw/zinc/20/65/90/175206590.db2.gz SFPKKCXVOJBRQG-VIFPVBQESA-N 1 0 251.290 1.281 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000071143836 176040938 /nfs/dbraw/zinc/04/09/38/176040938.db2.gz NGOBQZYRMGQCJE-NSHDSACASA-N 1 0 277.324 1.205 20 5 CDBDRO COC[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000071268690 176102460 /nfs/dbraw/zinc/10/24/60/176102460.db2.gz AQPCFTVDEYHOHU-CABZTGNLSA-N 1 0 254.286 1.253 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000127266832 424643375 /nfs/dbraw/zinc/64/33/75/424643375.db2.gz AEOGVWVVFLUEQG-MLRMMBSGSA-N 1 0 277.324 1.580 20 5 CDBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H]1C[NH3+] ZINC000397370269 270349692 /nfs/dbraw/zinc/34/96/92/270349692.db2.gz GZIJZEHDWIAGNR-BBBLOLIVSA-N 1 0 280.328 1.368 20 5 CDBDRO O=C(CC[NH2+][C@@H]1CC[C@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000516867099 270493602 /nfs/dbraw/zinc/49/36/02/270493602.db2.gz ITQMPJDKWOWBNT-ZYHUDNBSSA-N 1 0 279.296 1.036 20 5 CDBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000289734751 273736917 /nfs/dbraw/zinc/73/69/17/273736917.db2.gz VNDDMBDHJCOQLJ-RYUDHWBXSA-N 1 0 263.297 1.921 20 5 CDBDRO C[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)[C@H](C)C[NH2+]1 ZINC000261628827 274371483 /nfs/dbraw/zinc/37/14/83/274371483.db2.gz AYUWNWLVOHCFRZ-HTQZYQBOSA-N 1 0 293.352 1.786 20 5 CDBDRO CC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000035011571 275448048 /nfs/dbraw/zinc/44/80/48/275448048.db2.gz BLTMYNOMPVYPNB-UHFFFAOYSA-N 1 0 277.324 1.695 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000104205960 276579897 /nfs/dbraw/zinc/57/98/97/276579897.db2.gz NLQJIMMTZPXVOR-VIFPVBQESA-N 1 0 251.286 1.370 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000127701903 277031765 /nfs/dbraw/zinc/03/17/65/277031765.db2.gz DDDPXFNCKIETER-MMQHEFTJSA-N 1 0 289.335 1.818 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(c3ncccc3[N+](=O)[O-])CC[C@H]21 ZINC000268866014 277085231 /nfs/dbraw/zinc/08/52/31/277085231.db2.gz SQIFWFXVQCGKIJ-NWDGAFQWSA-N 1 0 276.340 1.910 20 5 CDBDRO CS[C@@H]1CN(c2ncccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270412882 277524846 /nfs/dbraw/zinc/52/48/46/277524846.db2.gz XYCDGCVVNLMQMT-GHMZBOCLSA-N 1 0 282.369 1.472 20 5 CDBDRO CO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@H](C[NH3+])C1 ZINC000167194890 277654163 /nfs/dbraw/zinc/65/41/63/277654163.db2.gz RSFWHUZTKDPMEF-DTWKUNHWSA-N 1 0 299.352 1.235 20 5 CDBDRO COc1cc(N2CC[NH2+][C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000227856407 277826332 /nfs/dbraw/zinc/82/63/32/277826332.db2.gz XSYNOWAJCFZTNO-QMMMGPOBSA-N 1 0 269.276 1.541 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000288172412 278238121 /nfs/dbraw/zinc/23/81/21/278238121.db2.gz WTYNKVBDVAPFOW-NSHDSACASA-N 1 0 294.355 1.387 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000408343085 279385386 /nfs/dbraw/zinc/38/53/86/279385386.db2.gz NGBNGWMZGNVFHK-MNOVXSKESA-N 1 0 279.344 1.249 20 5 CDBDRO NC(=O)[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000135167276 279805507 /nfs/dbraw/zinc/80/55/07/279805507.db2.gz BIUDNEWKFYZINE-OAHLLOKOSA-N 1 0 299.330 1.954 20 5 CDBDRO C[C@@]1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]C1 ZINC000237569209 280180305 /nfs/dbraw/zinc/18/03/05/280180305.db2.gz VPRNMTQDBYMICG-OAHLLOKOSA-N 1 0 289.335 1.479 20 5 CDBDRO CC(C)c1ccc(C(=O)N[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000423535348 280600852 /nfs/dbraw/zinc/60/08/52/280600852.db2.gz CRNHLDKZHAEDBS-SECBINFHSA-N 1 0 265.313 1.795 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCCC3)C2)n1 ZINC000124231636 281013673 /nfs/dbraw/zinc/01/36/73/281013673.db2.gz DBZKUIUKPQNULU-LBPRGKRZSA-N 1 0 276.340 1.973 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000086470818 288328201 /nfs/dbraw/zinc/32/82/01/288328201.db2.gz ZFBNXFUBDZKWGV-VHSXEESVSA-N 1 0 267.304 1.916 20 5 CDBDRO Cc1nc(N2CC[C@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000127325628 281938765 /nfs/dbraw/zinc/93/87/65/281938765.db2.gz HULYLOACBARXNH-SCZZXKLOSA-N 1 0 250.302 1.472 20 5 CDBDRO Cc1cc(C(=O)N[C@H](C)C[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000320014002 292929597 /nfs/dbraw/zinc/92/95/97/292929597.db2.gz AJQMHFOLYXWZIR-VHSXEESVSA-N 1 0 265.313 1.759 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000562743638 293189437 /nfs/dbraw/zinc/18/94/37/293189437.db2.gz GPLAAKSCMSFIRG-LLVKDONJSA-N 1 0 278.312 1.729 20 5 CDBDRO C[C@H](O)C[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570332251 294217878 /nfs/dbraw/zinc/21/78/78/294217878.db2.gz LUMSHPCXPDPRJW-SDDRHHMPSA-N 1 0 298.339 1.084 20 5 CDBDRO COCCN(C)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572179376 294574387 /nfs/dbraw/zinc/57/43/87/294574387.db2.gz SJAGDYZVJNWFNZ-AWEZNQCLSA-N 1 0 293.367 1.750 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@@]3(C2)CCC[NH2+]C3)c(F)c1 ZINC000573549461 294838414 /nfs/dbraw/zinc/83/84/14/294838414.db2.gz JJTHBKWVPYUFRM-ZDUSSCGKSA-N 1 0 280.303 1.709 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000576175169 317091670 /nfs/dbraw/zinc/09/16/70/317091670.db2.gz QWGVOMXWXCIQJD-NSHDSACASA-N 1 0 264.329 1.829 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000577391533 317323352 /nfs/dbraw/zinc/32/33/52/317323352.db2.gz PHCMIKQCQJZFDT-GXFFZTMASA-N 1 0 293.323 1.088 20 5 CDBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCO1 ZINC000182296042 323272856 /nfs/dbraw/zinc/27/28/56/323272856.db2.gz SKBSNMYKPRNJLS-RYUDHWBXSA-N 1 0 268.317 1.339 20 5 CDBDRO CC(C)Oc1cc(-c2nc(CN)no2)ccc1[N+](=O)[O-] ZINC000578890849 324051859 /nfs/dbraw/zinc/05/18/59/324051859.db2.gz WEGDAHXSIGUZCV-UHFFFAOYSA-N 1 0 278.268 1.891 20 5 CDBDRO COc1cccc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000579244608 324140598 /nfs/dbraw/zinc/14/05/98/324140598.db2.gz OMCHUAVLTZBYIV-RKDXNWHRSA-N 1 0 281.312 1.459 20 5 CDBDRO Cc1nc(N2CC[C@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC000579934086 324317961 /nfs/dbraw/zinc/31/79/61/324317961.db2.gz ODPUDZIGGNDCLT-CQSZACIVSA-N 1 0 276.340 1.878 20 5 CDBDRO COCC[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000583019617 325090137 /nfs/dbraw/zinc/09/01/37/325090137.db2.gz HZJUVFKFVUKCLU-LLVKDONJSA-N 1 0 295.339 1.938 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000583194139 325125043 /nfs/dbraw/zinc/12/50/43/325125043.db2.gz APUIREWPMNUFRO-SNVBAGLBSA-N 1 0 292.339 1.257 20 5 CDBDRO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000218428269 329469878 /nfs/dbraw/zinc/46/98/78/329469878.db2.gz UWXHWGMSLFTCIB-YRGRVCCFSA-N 1 0 296.371 1.568 20 5 CDBDRO Cc1c(F)cc([N+](=O)[O-])cc1-n1ccc(CC[NH3+])n1 ZINC001167732142 1159585284 /nfs/dbraw/zinc/58/52/84/1159585284.db2.gz OJHPLUHIGKOPBA-UHFFFAOYSA-N 1 0 264.260 1.729 20 5 CDBDRO CC[C@@H]([NH2+]CCOCCO)c1cccc([N+](=O)[O-])c1 ZINC000037010561 522836216 /nfs/dbraw/zinc/83/62/16/522836216.db2.gz JWVYCNSGRHESKX-CYBMUJFWSA-N 1 0 268.313 1.644 20 5 CDBDRO C[N@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1CC1 ZINC000058858374 522862171 /nfs/dbraw/zinc/86/21/71/522862171.db2.gz DQJRZMOIIHOVPB-UHFFFAOYSA-N 1 0 296.302 1.140 20 5 CDBDRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000157469322 534732211 /nfs/dbraw/zinc/73/22/11/534732211.db2.gz GMOGSFRNRIMVPJ-YPMHNXCESA-N 1 0 289.335 1.607 20 5 CDBDRO C[N@@H+]1CC[C@H](Nc2ncnc(Cl)c2[N+](=O)[O-])C1 ZINC000050455361 523990423 /nfs/dbraw/zinc/99/04/23/523990423.db2.gz ZQZIZHLPJSCXRP-LURJTMIESA-N 1 0 257.681 1.154 20 5 CDBDRO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1C[NH3+] ZINC000163607051 524269217 /nfs/dbraw/zinc/26/92/17/524269217.db2.gz SYSDDADZQFTFBK-DTWKUNHWSA-N 1 0 267.285 1.245 20 5 CDBDRO Cc1ccc(C[NH2+]CCC[S@](C)=O)cc1[N+](=O)[O-] ZINC000116918367 524575516 /nfs/dbraw/zinc/57/55/16/524575516.db2.gz YBVDTGVJJRKNQJ-GOSISDBHSA-N 1 0 270.354 1.761 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[NH2+]C1 ZINC000052093241 527373910 /nfs/dbraw/zinc/37/39/10/527373910.db2.gz PJWAXIHLNAYFNP-SECBINFHSA-N 1 0 250.258 1.078 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000192568476 527800654 /nfs/dbraw/zinc/80/06/54/527800654.db2.gz ZVIFSKDJAMGSCL-UHFFFAOYSA-N 1 0 281.312 1.285 20 5 CDBDRO CCC[NH2+]CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417763236 528493711 /nfs/dbraw/zinc/49/37/11/528493711.db2.gz KDAVZAOCSVFFFL-UHFFFAOYSA-N 1 0 294.355 1.436 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261863452 535968914 /nfs/dbraw/zinc/96/89/14/535968914.db2.gz YCEIAXGUYWRCSN-GHMZBOCLSA-N 1 0 279.344 1.308 20 5 CDBDRO CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H](C[NH3+])C1CC1 ZINC000423961217 535998672 /nfs/dbraw/zinc/99/86/72/535998672.db2.gz ZIMHBGKGQUNPQS-ZDUSSCGKSA-N 1 0 293.323 1.169 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000269123289 536374059 /nfs/dbraw/zinc/37/40/59/536374059.db2.gz KTEYEXZEGADMFI-SNVBAGLBSA-N 1 0 292.339 1.095 20 5 CDBDRO CNC(=O)c1ccc(NC[C@H]([NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000213346727 536434190 /nfs/dbraw/zinc/43/41/90/536434190.db2.gz QWHPOZWYDRWOLS-JTQLQIEISA-N 1 0 278.312 1.104 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C[NH3+])CC2)c1 ZINC000237240760 536948831 /nfs/dbraw/zinc/94/88/31/536948831.db2.gz GGAKKICGCZXAHN-UHFFFAOYSA-N 1 0 293.323 1.414 20 5 CDBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1(O)CCC1 ZINC000759876585 576440439 /nfs/dbraw/zinc/44/04/39/576440439.db2.gz MCIGHZHENBCFNX-CYBMUJFWSA-N 1 0 280.324 1.475 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000770685269 575486766 /nfs/dbraw/zinc/48/67/66/575486766.db2.gz PGDNJEVOQNEXNF-OAHLLOKOSA-N 1 0 293.367 1.654 20 5 CDBDRO C[C@@H]1[C@H](C)N(c2nc3ccccn3c2[N+](=O)[O-])CC[N@H+]1C ZINC000771286829 575564794 /nfs/dbraw/zinc/56/47/94/575564794.db2.gz GQHFMLYZKFCBHN-MNOVXSKESA-N 1 0 289.339 1.771 20 5 CDBDRO CC[NH+](CC)CCOC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000772063822 575657472 /nfs/dbraw/zinc/65/74/72/575657472.db2.gz KDLCKCPNWBSDTM-UHFFFAOYSA-N 1 0 284.316 1.066 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](CCO)c2cccs2)c1 ZINC000754381675 576894306 /nfs/dbraw/zinc/89/43/06/576894306.db2.gz DNLSPULXOKOABG-NSHDSACASA-N 1 0 296.352 1.566 20 5 CDBDRO CC[N@@H+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000749694342 576958377 /nfs/dbraw/zinc/95/83/77/576958377.db2.gz VYDGFMHPHFPFGG-WFASDCNBSA-N 1 0 293.367 1.654 20 5 CDBDRO COc1cc(C[NH2+][C@H]2COC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000932487458 617314325 /nfs/dbraw/zinc/31/43/25/617314325.db2.gz BLJFMIZEZQTLKD-KWQFWETISA-N 1 0 284.287 1.867 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCCOCC2)c1[N+](=O)[O-] ZINC000893311039 617551975 /nfs/dbraw/zinc/55/19/75/617551975.db2.gz WRXRGSHMSLTTAY-LLVKDONJSA-N 1 0 296.323 1.968 20 5 CDBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CCCCO2)c1[N+](=O)[O-] ZINC000892679600 617585398 /nfs/dbraw/zinc/58/53/98/617585398.db2.gz RKVYIUSGKMGQIS-NSHDSACASA-N 1 0 296.323 1.968 20 5 CDBDRO CC(C)([NH3+])Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000843219067 617735279 /nfs/dbraw/zinc/73/52/79/617735279.db2.gz SEYPYRVAPAHNJZ-UHFFFAOYSA-N 1 0 268.298 1.986 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2COCC[C@H]2OC)cc1[N+](=O)[O-] ZINC000934044359 617867383 /nfs/dbraw/zinc/86/73/83/617867383.db2.gz UMFRDKQLCJWKEI-DGCLKSJQSA-N 1 0 296.323 1.497 20 5 CDBDRO C[N@@H+]1C[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000893934242 618192574 /nfs/dbraw/zinc/19/25/74/618192574.db2.gz GGYZTUAISVYMBH-TVQRCGJNSA-N 1 0 265.288 1.874 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1C[NH2+]CCO1 ZINC000841099849 618682253 /nfs/dbraw/zinc/68/22/53/618682253.db2.gz ZLZJYFSNACUTFK-NSHDSACASA-N 1 0 285.731 1.326 20 5 CDBDRO C[C@H](C(=O)NC[C@H]1CC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1F ZINC000928560832 619383041 /nfs/dbraw/zinc/38/30/41/619383041.db2.gz WLDYXRFAXRZTAA-GXSJLCMTSA-N 1 0 295.314 1.658 20 5 CDBDRO C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895246760 619492194 /nfs/dbraw/zinc/49/21/94/619492194.db2.gz BZDWFNAXYQHHOD-HZMBPMFUSA-N 1 0 296.346 1.780 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000900385120 622964581 /nfs/dbraw/zinc/96/45/81/622964581.db2.gz VTTBPPNMAQVHDN-QWRGUYRKSA-N 1 0 264.329 1.719 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2cc(CCN3CC[NH2+]CC3)on2)o1 ZINC000901398918 624220388 /nfs/dbraw/zinc/22/03/88/624220388.db2.gz NEDIOQALLWKXFB-UHFFFAOYSA-N 1 0 292.295 1.291 20 5 CDBDRO CCOC(=O)[C@H]1CCN(Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000902422957 624791055 /nfs/dbraw/zinc/79/10/55/624791055.db2.gz HLTMPMCJDFFDMN-NSHDSACASA-N 1 0 296.327 1.251 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000905261481 626711163 /nfs/dbraw/zinc/71/11/63/626711163.db2.gz HBDMWPDPLZTWJI-NSHDSACASA-N 1 0 267.304 1.518 20 5 CDBDRO Cc1cc(C(F)(F)F)nn1CC[NH2+]CC[N+](=O)[O-] ZINC000905508035 626833615 /nfs/dbraw/zinc/83/36/15/626833615.db2.gz FAZDERHCFWDSKJ-UHFFFAOYSA-N 1 0 266.223 1.077 20 5 CDBDRO CC[C@@H](CO)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000915875621 631849723 /nfs/dbraw/zinc/84/97/23/631849723.db2.gz ULHKWQMQOFALRK-ZJUUUORDSA-N 1 0 281.312 1.282 20 5 CDBDRO C[C@H]1C[C@H](C)C[NH+](CCn2ccnc2[N+](=O)[O-])C1 ZINC000918386792 632365831 /nfs/dbraw/zinc/36/58/31/632365831.db2.gz KLMLWCKBHLDJRJ-QWRGUYRKSA-N 1 0 252.318 1.769 20 5 CDBDRO COc1ccc(C[C@@H](C)N2CC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001170295213 1162327776 /nfs/dbraw/zinc/32/77/76/1162327776.db2.gz BBOGUZNRSZYHFD-PWSUYJOCSA-N 1 0 279.340 1.567 20 5 CDBDRO COc1ccc(C[C@H](C)[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC001170328317 1162338458 /nfs/dbraw/zinc/33/84/58/1162338458.db2.gz JRTKUNZJEUHSDM-NSHDSACASA-N 1 0 294.351 1.991 20 5 CDBDRO CCC1(Nc2nc(C)cc(OC)c2[N+](=O)[O-])C[NH2+]C1 ZINC001157779225 1162415947 /nfs/dbraw/zinc/41/59/47/1162415947.db2.gz LUARAITZCIBFND-UHFFFAOYSA-N 1 0 266.301 1.471 20 5 CDBDRO C[NH2+]CCN(c1cc([N+](=O)[O-])cc[n+]1[O-])C(C)(C)C ZINC001157825833 1162455035 /nfs/dbraw/zinc/45/50/35/1162455035.db2.gz UWOSMSZTUXPQTB-UHFFFAOYSA-N 1 0 268.317 1.053 20 5 CDBDRO CCOc1nc(N(CC)[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001158203981 1162780710 /nfs/dbraw/zinc/78/07/10/1162780710.db2.gz BYYMAKVGWFRKRA-LLVKDONJSA-N 1 0 294.355 1.967 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)[C@@H]1C[NH2+]CCO1 ZINC001170567125 1162942091 /nfs/dbraw/zinc/94/20/91/1162942091.db2.gz JFOGXYWSHFXPQM-JQWIXIFHSA-N 1 0 265.313 1.692 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)[C@H]1C[NH2+]CCO1 ZINC001170567124 1162941948 /nfs/dbraw/zinc/94/19/48/1162941948.db2.gz JFOGXYWSHFXPQM-CMPLNLGQSA-N 1 0 265.313 1.692 20 5 CDBDRO C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2c1)[C@H]1C[NH2+]CCO1 ZINC001170571769 1162966311 /nfs/dbraw/zinc/96/63/11/1162966311.db2.gz ZRFQZGXLRUMPCP-MWLCHTKSSA-N 1 0 291.311 1.031 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2ccccn2)cc1 ZINC000105684073 1163613654 /nfs/dbraw/zinc/61/36/54/1163613654.db2.gz KFOBCTIYLJIMQG-OAHLLOKOSA-N 1 0 287.319 1.856 20 5 CDBDRO C[N@@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])CC1CC1 ZINC001609277135 1164877090 /nfs/dbraw/zinc/87/70/90/1164877090.db2.gz HNCCCPLJEANKHP-UHFFFAOYSA-N 1 0 288.311 1.617 20 5 CDBDRO CCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000058233815 1167219880 /nfs/dbraw/zinc/21/98/80/1167219880.db2.gz VGJUBAHEABYYSY-LHRNQBEKSA-N 1 0 289.335 1.818 20 5 CDBDRO Cc1ccnc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c1[N+](=O)[O-] ZINC001155583273 1167242623 /nfs/dbraw/zinc/24/26/23/1167242623.db2.gz JRQSXOWKFQHFKR-VWYCJHECSA-N 1 0 262.313 1.708 20 5 CDBDRO O=[N+]([O-])c1cccc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)n1 ZINC001155616639 1167259219 /nfs/dbraw/zinc/25/92/19/1167259219.db2.gz FMFUBVUATNYPRC-GWCFXTLKSA-N 1 0 278.312 1.313 20 5 CDBDRO CC(C)(CCC(=O)NCC[C@H]1CCC[NH2+]CC1)[N+](=O)[O-] ZINC001575298600 1171147291 /nfs/dbraw/zinc/14/72/91/1171147291.db2.gz BTZDNPCUDHLPAP-LBPRGKRZSA-N 1 0 285.388 1.718 20 5 CDBDRO COc1cc(SC2C[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC001579171594 1172110900 /nfs/dbraw/zinc/11/09/00/1172110900.db2.gz ZBXOAFLBDBYKRU-UHFFFAOYSA-N 1 0 270.310 1.676 20 5 CDBDRO Cc1ccc(CNC(=O)NC[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC001579696576 1172242577 /nfs/dbraw/zinc/24/25/77/1172242577.db2.gz WAWXUIVGLRTNKY-SECBINFHSA-N 1 0 280.328 1.297 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001580574212 1172472347 /nfs/dbraw/zinc/47/23/47/1172472347.db2.gz YONQODOPVGKVTR-WOPDTQHZSA-N 1 0 275.308 1.146 20 5 CDBDRO O=C(NC[C@@H]1CC[NH2+]1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC001580661721 1172505316 /nfs/dbraw/zinc/50/53/16/1172505316.db2.gz SDAYKGASQVOMBN-QMMMGPOBSA-N 1 0 274.280 1.168 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(NC2(C)CC[NH2+]CC2)n1 ZINC000229631649 1175720746 /nfs/dbraw/zinc/72/07/46/1175720746.db2.gz MKBAEINCIHAHBS-UHFFFAOYSA-N 1 0 266.301 1.552 20 5 CDBDRO Cc1cc(NC2(C)CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC000229629768 1178131838 /nfs/dbraw/zinc/13/18/38/1178131838.db2.gz MTVDVOMVFCCVBP-UHFFFAOYSA-N 1 0 250.302 1.852 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CCC[NH2+]CC2)c1 ZINC000155642329 1178164686 /nfs/dbraw/zinc/16/46/86/1178164686.db2.gz PHZHFNLPYJYCRR-UHFFFAOYSA-N 1 0 251.286 1.403 20 5 CDBDRO CCC[NH2+][C@@H](C)c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000843222800 697633701 /nfs/dbraw/zinc/63/37/01/697633701.db2.gz VLCBOQDAOOGDIC-ZETCQYMHSA-N 1 0 294.315 1.747 20 5 CDBDRO C[NH+](C)CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1CC1 ZINC000828775411 697700776 /nfs/dbraw/zinc/70/07/76/697700776.db2.gz XOURFGGVQFMZKO-UHFFFAOYSA-N 1 0 271.361 1.375 20 5 CDBDRO Cc1ccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])c(C[NH+](C)C)c1 ZINC000839682841 697822493 /nfs/dbraw/zinc/82/24/93/697822493.db2.gz AFBHRQVVHPYWMW-DGCLKSJQSA-N 1 0 277.324 1.660 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+]1C ZINC000158930716 697847903 /nfs/dbraw/zinc/84/79/03/697847903.db2.gz FITRANKWPVMWEN-ZJUUUORDSA-N 1 0 292.339 1.390 20 5 CDBDRO Cc1c(C[NH2+][C@H](C)C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000049098646 697977689 /nfs/dbraw/zinc/97/76/89/697977689.db2.gz LSSFPKIDSSOZJT-SNVBAGLBSA-N 1 0 265.313 1.470 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886841513 697985475 /nfs/dbraw/zinc/98/54/75/697985475.db2.gz NJGVHCUKKUQJGC-MWLCHTKSSA-N 1 0 250.302 1.301 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc([C@@]3(F)CC[NH2+]C3)n2)o1 ZINC000843238382 697993419 /nfs/dbraw/zinc/99/34/19/697993419.db2.gz QJUOUGHLJVBGAW-SNVBAGLBSA-N 1 0 268.204 1.396 20 5 CDBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCC2CC2)CC1 ZINC001045437673 698051155 /nfs/dbraw/zinc/05/11/55/698051155.db2.gz YEQRFGWCNKBBKN-CHWSQXEVSA-N 1 0 295.383 1.422 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[C@H]([NH3+])C2)c1 ZINC000715145738 698060073 /nfs/dbraw/zinc/06/00/73/698060073.db2.gz HGZFHOHMTHQJPT-MGCOHNPYSA-N 1 0 263.297 1.370 20 5 CDBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000715568951 698105134 /nfs/dbraw/zinc/10/51/34/698105134.db2.gz DFSOTUCFQLNXMV-UWVGGRQHSA-N 1 0 279.344 1.857 20 5 CDBDRO C[C@@H](NC(=O)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000928247849 698221085 /nfs/dbraw/zinc/22/10/85/698221085.db2.gz DWFOVKBDJXKKMR-LLVKDONJSA-N 1 0 277.324 1.868 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000882959914 698228311 /nfs/dbraw/zinc/22/83/11/698228311.db2.gz TXSLCLGLOMYITI-JTQLQIEISA-N 1 0 250.302 1.683 20 5 CDBDRO COC(=O)N(C)CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850548630 698245560 /nfs/dbraw/zinc/24/55/60/698245560.db2.gz WRHRQQZKWBLFLU-SECBINFHSA-N 1 0 296.327 1.526 20 5 CDBDRO Cn1cc(C[N@@H+]2CC[C@@]3(CO)CCC[C@@H]23)c([N+](=O)[O-])n1 ZINC000886636118 698277376 /nfs/dbraw/zinc/27/73/76/698277376.db2.gz GLTIYUNOTJDKQY-DGCLKSJQSA-N 1 0 280.328 1.065 20 5 CDBDRO CC[C@H](COC)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819089203 698296416 /nfs/dbraw/zinc/29/64/16/698296416.db2.gz HSVXLVIXLCKGFN-DGCLKSJQSA-N 1 0 268.313 1.643 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCC([NH3+])CC1 ZINC000091845371 698301462 /nfs/dbraw/zinc/30/14/62/698301462.db2.gz UAZYAUDMPFXMSG-UHFFFAOYSA-N 1 0 277.324 1.937 20 5 CDBDRO C[C@@H](CC(N)=O)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788631845 698304821 /nfs/dbraw/zinc/30/48/21/698304821.db2.gz OBORSKGQCMSTAN-YUMQZZPRSA-N 1 0 266.301 1.092 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866679173 698306228 /nfs/dbraw/zinc/30/62/28/698306228.db2.gz CKVYHZYKYLEVOW-TXEJJXNPSA-N 1 0 265.288 1.670 20 5 CDBDRO Cc1nn(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c(C)c1[N+](=O)[O-] ZINC000884482453 698308919 /nfs/dbraw/zinc/30/89/19/698308919.db2.gz BJWTWJWOHIMMFN-STQMWFEESA-N 1 0 294.355 1.867 20 5 CDBDRO C[C@H](O)CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843074220 698318917 /nfs/dbraw/zinc/31/89/17/698318917.db2.gz CQRKAYIEDLCLTE-GXFFZTMASA-N 1 0 268.313 1.379 20 5 CDBDRO COCCN(Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[C@@H](C)C1 ZINC000790477717 698330125 /nfs/dbraw/zinc/33/01/25/698330125.db2.gz IWVAZMBDLYNELE-VXGBXAGGSA-N 1 0 282.344 1.886 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H](CCO)C2)cc1 ZINC000776581915 698333075 /nfs/dbraw/zinc/33/30/75/698333075.db2.gz IZAGULXSLXADLU-DOMZBBRYSA-N 1 0 294.351 1.723 20 5 CDBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1O ZINC000879141953 698392066 /nfs/dbraw/zinc/39/20/66/698392066.db2.gz GEWLEIPJTBAATH-KFWWJZLASA-N 1 0 294.351 1.864 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H](CO)C1CC1 ZINC000851933247 698535837 /nfs/dbraw/zinc/53/58/37/698535837.db2.gz PIXAAPMXEAENOM-LLVKDONJSA-N 1 0 254.261 1.594 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825890889 698633404 /nfs/dbraw/zinc/63/34/04/698633404.db2.gz ALVXAQCINXTBIU-MFKMUULPSA-N 1 0 295.339 1.085 20 5 CDBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886082906 698662510 /nfs/dbraw/zinc/66/25/10/698662510.db2.gz CCCNVVCIKUECTD-CMPLNLGQSA-N 1 0 265.313 1.725 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCCC[C@H]2O)cc1 ZINC000843071688 698806467 /nfs/dbraw/zinc/80/64/67/698806467.db2.gz BTCYDJSPXGESIF-CFVMTHIKSA-N 1 0 294.351 1.769 20 5 CDBDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000932503176 698844759 /nfs/dbraw/zinc/84/47/59/698844759.db2.gz ZFBZCXPKMDWJPX-KCJUWKMLSA-N 1 0 254.261 1.858 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000789924526 698849421 /nfs/dbraw/zinc/84/94/21/698849421.db2.gz YWKLGZUXLHDSIG-CHWSQXEVSA-N 1 0 292.339 1.390 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@H](C)[NH3+] ZINC000863569397 698852567 /nfs/dbraw/zinc/85/25/67/698852567.db2.gz URIAZUICRJEEBR-NSHDSACASA-N 1 0 294.355 1.511 20 5 CDBDRO C[C@]1(c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)CC[NH2+]C1 ZINC000843191543 698862412 /nfs/dbraw/zinc/86/24/12/698862412.db2.gz IOSPOGBRWHTEII-ZDUSSCGKSA-N 1 0 289.295 1.215 20 5 CDBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000842619597 698873234 /nfs/dbraw/zinc/87/32/34/698873234.db2.gz WMYMCRGPKITDRD-QWHCGFSZSA-N 1 0 294.355 1.948 20 5 CDBDRO CCOc1ccc(C(=O)N2CC[C@](C)([NH3+])C2)cc1[N+](=O)[O-] ZINC000868073478 698881350 /nfs/dbraw/zinc/88/13/50/698881350.db2.gz NUVQPMJPVWESSA-AWEZNQCLSA-N 1 0 293.323 1.557 20 5 CDBDRO CCN(CCOc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000886854676 698892208 /nfs/dbraw/zinc/89/22/08/698892208.db2.gz XRDZSRJSUURVOX-LBPRGKRZSA-N 1 0 279.340 1.657 20 5 CDBDRO CO[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000819127564 698935302 /nfs/dbraw/zinc/93/53/02/698935302.db2.gz IBWGMNOFIPPKFF-KGLIPLIRSA-N 1 0 282.340 1.889 20 5 CDBDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000136107941 698962401 /nfs/dbraw/zinc/96/24/01/698962401.db2.gz UHOQBVWGQXPYPB-SSDOTTSWSA-N 1 0 271.704 1.602 20 5 CDBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000930210278 698994528 /nfs/dbraw/zinc/99/45/28/698994528.db2.gz GHWNGCGVQLWKHS-NSHDSACASA-N 1 0 266.297 1.775 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886218020 698999007 /nfs/dbraw/zinc/99/90/07/698999007.db2.gz MMFMGXMDEUQALX-GFCCVEGCSA-N 1 0 264.329 1.516 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[NH2+]C1(CO)CCCCC1 ZINC000886076210 704810649 /nfs/dbraw/zinc/81/06/49/704810649.db2.gz LSQMVSSZBVFLCO-UHFFFAOYSA-N 1 0 265.313 1.775 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701064438 704844187 /nfs/dbraw/zinc/84/41/87/704844187.db2.gz MSHQRFAPEWVHOE-MRVPVSSYSA-N 1 0 285.731 1.976 20 5 CDBDRO O=C(C[NH2+]C1CC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000818433120 704872943 /nfs/dbraw/zinc/87/29/43/704872943.db2.gz MNEFTHKHPZUXTO-UHFFFAOYSA-N 1 0 283.715 1.616 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](CF)C1 ZINC000880296850 704883637 /nfs/dbraw/zinc/88/36/37/704883637.db2.gz HSZGGODLBMEQBQ-SNVBAGLBSA-N 1 0 269.276 1.048 20 5 CDBDRO CCOC(=O)CC[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000930076854 704935081 /nfs/dbraw/zinc/93/50/81/704935081.db2.gz QMWFVJMPDOTKPO-LLVKDONJSA-N 1 0 258.318 1.318 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C/C=C\CO ZINC000717561907 705081779 /nfs/dbraw/zinc/08/17/79/705081779.db2.gz MAXVMZVEFIHGAS-UPHRSURJSA-N 1 0 256.689 1.886 20 5 CDBDRO C[C@H](O)[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886081222 705126587 /nfs/dbraw/zinc/12/65/87/705126587.db2.gz KDFXUSYWZHXIGM-WDEREUQCSA-N 1 0 265.313 1.583 20 5 CDBDRO COCC1=CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000775826834 705162820 /nfs/dbraw/zinc/16/28/20/705162820.db2.gz NEKBQUYYCKPGCO-OAHLLOKOSA-N 1 0 292.335 1.907 20 5 CDBDRO CC(=O)NC1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000133991213 705184049 /nfs/dbraw/zinc/18/40/49/705184049.db2.gz DYIQVJBEEBCKRJ-UHFFFAOYSA-N 1 0 295.314 1.834 20 5 CDBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839675998 705203631 /nfs/dbraw/zinc/20/36/31/705203631.db2.gz UZLVVKCNPZAEKE-OSAQELSMSA-N 1 0 294.351 1.721 20 5 CDBDRO C[C@@H]([NH3+])CCNc1ncc2cccc([N+](=O)[O-])c2n1 ZINC001170890286 1164191043 /nfs/dbraw/zinc/19/10/43/1164191043.db2.gz VRVSMYDAXJRYGA-MRVPVSSYSA-N 1 0 261.285 1.687 20 5 CDBDRO O=[N+]([O-])c1cccc(N2CC3(C2)CC[N@H+](CC2CC2)C3)n1 ZINC001164767102 721282321 /nfs/dbraw/zinc/28/23/21/721282321.db2.gz GGYXPPFTPHKYLB-UHFFFAOYSA-N 1 0 288.351 1.912 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2cccc([N+](=O)[O-])n2)C1 ZINC001165036950 721887735 /nfs/dbraw/zinc/88/77/35/721887735.db2.gz XKIGYYBJGYXBBB-SNVBAGLBSA-N 1 0 250.302 1.520 20 5 CDBDRO C[NH+](C)CC1CCN(c2ncc([N+](=O)[O-])cc2N)CC1 ZINC001165044879 721948335 /nfs/dbraw/zinc/94/83/35/721948335.db2.gz JVNLFVLABJEQNX-UHFFFAOYSA-N 1 0 279.344 1.350 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815572502 848111337 /nfs/dbraw/zinc/11/13/37/848111337.db2.gz FIQMDIZJOCFEST-WCBMZHEXSA-N 1 0 278.312 1.058 20 5 CDBDRO C[NH2+][C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000053204437 848114227 /nfs/dbraw/zinc/11/42/27/848114227.db2.gz ULSHBSKKTIOFQS-CYBMUJFWSA-N 1 0 263.341 1.821 20 5 CDBDRO COC[C@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000097987951 848344301 /nfs/dbraw/zinc/34/43/01/848344301.db2.gz GGHMUNFKWZQZOV-CABZTGNLSA-N 1 0 254.286 1.253 20 5 CDBDRO CC(C)[N@H+](C)CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865500199 848348903 /nfs/dbraw/zinc/34/89/03/848348903.db2.gz UFWOOGVISZIPTC-UHFFFAOYSA-N 1 0 285.319 1.978 20 5 CDBDRO C[NH2+]CCCc1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000843192405 848373384 /nfs/dbraw/zinc/37/33/84/848373384.db2.gz UQWQOSJCWKEUDV-UHFFFAOYSA-N 1 0 277.284 1.116 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CCC[NH3+])CC2 ZINC000843495483 848380137 /nfs/dbraw/zinc/38/01/37/848380137.db2.gz SQJXDJDGPXEQLZ-UHFFFAOYSA-N 1 0 263.297 1.531 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](O)CC2)cc1 ZINC000815296934 848498867 /nfs/dbraw/zinc/49/88/67/848498867.db2.gz INKFRDKHEFWGNC-KGLIPLIRSA-N 1 0 280.324 1.475 20 5 CDBDRO Cn1cc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c([N+](=O)[O-])n1 ZINC000886816176 848519499 /nfs/dbraw/zinc/51/94/99/848519499.db2.gz OUPGDPDUNYIFKK-PWSUYJOCSA-N 1 0 280.328 1.329 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(CCCCC[NH3+])n1 ZINC000823088044 848550933 /nfs/dbraw/zinc/55/09/33/848550933.db2.gz GWCMHSULDMMSQF-UHFFFAOYSA-N 1 0 280.288 1.050 20 5 CDBDRO Cc1c(CNC(=O)N(C)C[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000861625874 848660922 /nfs/dbraw/zinc/66/09/22/848660922.db2.gz PCGWSZVOPIZOIB-SECBINFHSA-N 1 0 280.328 1.392 20 5 CDBDRO CC1([NH3+])CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000843468132 848883547 /nfs/dbraw/zinc/88/35/47/848883547.db2.gz NYSOHHUVMYFNAG-UHFFFAOYSA-N 1 0 278.312 1.130 20 5 CDBDRO C[C@H](CNC(=O)C1([NH+](C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000887400835 848975630 /nfs/dbraw/zinc/97/56/30/848975630.db2.gz LAWYOXZRLGINCW-LLVKDONJSA-N 1 0 291.351 1.909 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000706538403 848981803 /nfs/dbraw/zinc/98/18/03/848981803.db2.gz IJFPBINXWDNQEE-SSDOTTSWSA-N 1 0 271.704 1.715 20 5 CDBDRO C[C@@H](CCO)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134757979 849023170 /nfs/dbraw/zinc/02/31/70/849023170.db2.gz CBFFKRSKTBIQCH-GXFFZTMASA-N 1 0 268.313 1.236 20 5 CDBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886161982 849126858 /nfs/dbraw/zinc/12/68/58/849126858.db2.gz BTQVFXSFLMSIDK-CYBMUJFWSA-N 1 0 265.313 1.727 20 5 CDBDRO C[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000036280095 849179419 /nfs/dbraw/zinc/17/94/19/849179419.db2.gz JWZKFEDYPLOSBW-UHFFFAOYSA-N 1 0 271.704 1.588 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)C2CC2)cc1F ZINC000801539191 849295545 /nfs/dbraw/zinc/29/55/45/849295545.db2.gz CQVXGMUBRIFJMJ-LLVKDONJSA-N 1 0 254.261 1.594 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000131246689 849314453 /nfs/dbraw/zinc/31/44/53/849314453.db2.gz BALNWEFLDGPPAR-IUCAKERBSA-N 1 0 267.716 1.904 20 5 CDBDRO COc1ccc(CC(=O)N2CC[C@](C)([NH3+])C2)cc1[N+](=O)[O-] ZINC000868078917 849321026 /nfs/dbraw/zinc/32/10/26/849321026.db2.gz QBYRAGLIZPKERZ-AWEZNQCLSA-N 1 0 293.323 1.096 20 5 CDBDRO COc1ccc(C[NH2+]CCO[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000922939697 849472997 /nfs/dbraw/zinc/47/29/97/849472997.db2.gz RZRQLOLNGWIZPP-LBPRGKRZSA-N 1 0 296.323 1.499 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1COC[C@@H]1C ZINC000932493555 849477993 /nfs/dbraw/zinc/47/79/93/849477993.db2.gz HWIRIRCYJYZDKX-QWRGUYRKSA-N 1 0 293.323 1.466 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](O)C1 ZINC000866392772 849560265 /nfs/dbraw/zinc/56/02/65/849560265.db2.gz HBKBDQIFSXREEM-UWJYBYFXSA-N 1 0 268.288 1.778 20 5 CDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877170218 849588322 /nfs/dbraw/zinc/58/83/22/849588322.db2.gz JZALGBIINHFFTH-AOOOYVTPSA-N 1 0 279.271 1.310 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](CF)C1 ZINC000880296848 849683951 /nfs/dbraw/zinc/68/39/51/849683951.db2.gz HSZGGODLBMEQBQ-JTQLQIEISA-N 1 0 269.276 1.048 20 5 CDBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cnnn1C ZINC000924956191 849754483 /nfs/dbraw/zinc/75/44/83/849754483.db2.gz VHBZPOPPCVQJEW-JTQLQIEISA-N 1 0 275.312 1.617 20 5 CDBDRO COC(=O)CC1([NH2+]Cc2cccnc2[N+](=O)[O-])CCCC1 ZINC000886181043 849767571 /nfs/dbraw/zinc/76/75/71/849767571.db2.gz CQPHCQZSSUFLGN-UHFFFAOYSA-N 1 0 293.323 1.955 20 5 CDBDRO CN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000111135659 850007510 /nfs/dbraw/zinc/00/75/10/850007510.db2.gz NNHWWGTUDCTVBM-UHFFFAOYSA-N 1 0 283.303 1.758 20 5 CDBDRO [NH3+][C@H](Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1)C1CC1 ZINC000843191017 850103923 /nfs/dbraw/zinc/10/39/23/850103923.db2.gz AFEDMWDISHEJTN-LLVKDONJSA-N 1 0 289.295 1.243 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000843482794 850263700 /nfs/dbraw/zinc/26/37/00/850263700.db2.gz CGYALLIQFIWHMT-SECBINFHSA-N 1 0 269.276 1.509 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)N(C)C ZINC001173217631 912300272 /nfs/dbraw/zinc/30/02/72/912300272.db2.gz XULJVUHTQUGXML-SNVBAGLBSA-N 1 0 265.313 1.204 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(F)COC1 ZINC001173219249 912302621 /nfs/dbraw/zinc/30/26/21/912302621.db2.gz ZXVXOSGMOMTNPS-JTQLQIEISA-N 1 0 268.288 1.854 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCC(=O)N1 ZINC001173226123 912315085 /nfs/dbraw/zinc/31/50/85/912315085.db2.gz LCOIEDWAVUDWDW-DGCLKSJQSA-N 1 0 291.351 1.784 20 5 CDBDRO O=[N+]([O-])c1cnc(-n2ccnc2[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC001167054429 894043539 /nfs/dbraw/zinc/04/35/39/894043539.db2.gz DAFYENJXOLKPRX-SECBINFHSA-N 1 0 291.286 1.782 20 5 CDBDRO CC(=O)Nc1ccc(N[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001167278782 895032853 /nfs/dbraw/zinc/03/28/53/895032853.db2.gz RUHMJSFVWVXJDM-NSHDSACASA-N 1 0 278.312 1.669 20 5 CDBDRO [NH3+]CCc1ccn(-c2ncc3cccc([N+](=O)[O-])c3n2)n1 ZINC001167729227 899471748 /nfs/dbraw/zinc/47/17/48/899471748.db2.gz DSANQZIUVLCXDJ-UHFFFAOYSA-N 1 0 284.279 1.225 20 5 CDBDRO [NH3+]CCc1ccn(-c2ccc3ncccc3c2[N+](=O)[O-])n1 ZINC001167730809 899491184 /nfs/dbraw/zinc/49/11/84/899491184.db2.gz SEARSKVZYDKGBS-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO C[NH+](C)CCCO[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC001206297374 914548488 /nfs/dbraw/zinc/54/84/88/914548488.db2.gz VUHCRFXJVBPWMG-ZDUSSCGKSA-N 1 0 294.355 1.537 20 5 CDBDRO O=[N+]([O-])c1c(NCC(F)(F)F)ncnc1C1C[NH2+]C1 ZINC001161629764 904317904 /nfs/dbraw/zinc/31/79/04/904317904.db2.gz LDXNUBWWTGODKK-UHFFFAOYSA-N 1 0 277.206 1.046 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC001226186378 905018724 /nfs/dbraw/zinc/01/87/24/905018724.db2.gz BUAHPEAMQDEYQH-SSDOTTSWSA-N 1 0 258.224 1.956 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(c1)C(=O)NCC2 ZINC001227958748 906810352 /nfs/dbraw/zinc/81/03/52/906810352.db2.gz QJSFJJMMVKVUCQ-NSHDSACASA-O 1 0 263.361 1.446 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CCNc1nc(Cl)ncc1[N+](=O)[O-] ZINC000822124001 907732846 /nfs/dbraw/zinc/73/28/46/907732846.db2.gz HWHRTUNGSFJXAW-MRVPVSSYSA-N 1 0 285.735 1.934 20 5 CDBDRO Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)c1 ZINC001126936694 909939059 /nfs/dbraw/zinc/93/90/59/909939059.db2.gz QXNVHULKDWXTCV-ZIAGYGMSSA-N 1 0 291.351 1.174 20 5 CDBDRO CC[C@]([NH3+])(CO)N[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904301 912039508 /nfs/dbraw/zinc/03/95/08/912039508.db2.gz WURFJKGUFHUHFN-DZGCQCFKSA-N 1 0 293.367 1.489 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N[C@H](C)C[NH+](C)C)n1 ZINC000168935105 915798803 /nfs/dbraw/zinc/79/88/03/915798803.db2.gz YTMLKQISRMAJGV-MRVPVSSYSA-N 1 0 254.290 1.360 20 5 CDBDRO CCC1(Nc2cc3c(c([N+](=O)[O-])c2)NN(C)C3)C[NH2+]C1 ZINC001168585940 919315716 /nfs/dbraw/zinc/31/57/16/919315716.db2.gz ALSLMKXJUXERMQ-UHFFFAOYSA-N 1 0 277.328 1.531 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001155116670 926546721 /nfs/dbraw/zinc/54/67/21/926546721.db2.gz LKCXTRXUBQZMSJ-CYBMUJFWSA-N 1 0 298.318 1.430 20 5 CDBDRO [NH3+][C@@H]1CCN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001156229136 927500211 /nfs/dbraw/zinc/50/02/11/927500211.db2.gz UVMXUTWIYVSRIB-RXMQYKEDSA-N 1 0 277.111 1.834 20 5 CDBDRO C[C@H](Cc1cnccn1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168977852 927566309 /nfs/dbraw/zinc/56/63/09/927566309.db2.gz MYMAYGRPXLEXEW-UTUOFQBUSA-N 1 0 264.329 1.443 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](CO)c2cccc(F)c2)C1 ZINC001168978186 927566645 /nfs/dbraw/zinc/56/66/45/927566645.db2.gz PKXAIWPDCHPHQW-SWHYSGLUSA-N 1 0 282.315 1.894 20 5 CDBDRO Cc1nn(C)c(C)c1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168956889 927578177 /nfs/dbraw/zinc/57/81/77/927578177.db2.gz CMZYUIBICBXARZ-NWDGAFQWSA-N 1 0 266.345 1.572 20 5 CDBDRO CCN1CCC[C@H]1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168957857 927579175 /nfs/dbraw/zinc/57/91/75/927579175.db2.gz JTFYIJXURAZPEF-AVGNSLFASA-N 1 0 255.362 1.506 20 5 CDBDRO C[C@@]1(O)CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168960608 927580148 /nfs/dbraw/zinc/58/01/48/927580148.db2.gz FSDDBPPQPJNWCH-LPWJVIDDSA-N 1 0 256.346 1.715 20 5 CDBDRO COC(=O)CCCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168992048 927601315 /nfs/dbraw/zinc/60/13/15/927601315.db2.gz JDTZKOVGACNJSF-WDEREUQCSA-N 1 0 258.318 1.365 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3ncccn3)CC2)C1 ZINC001168996008 927603007 /nfs/dbraw/zinc/60/30/07/927603007.db2.gz TZIIXJBRWLBLGM-QWRGUYRKSA-N 1 0 262.313 1.501 20 5 CDBDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@@]1(C)O ZINC001169006952 927611076 /nfs/dbraw/zinc/61/10/76/927611076.db2.gz KOLVKFYOMRLKSJ-AAVRWANBSA-N 1 0 270.373 1.915 20 5 CDBDRO COC(=O)[C@@H]1CC[C@@H](C)[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169010248 927613622 /nfs/dbraw/zinc/61/36/22/927613622.db2.gz BSRCZECEYYJWGV-XQHKEYJVSA-N 1 0 284.356 1.705 20 5 CDBDRO COC(=O)CC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169012349 927616682 /nfs/dbraw/zinc/61/66/82/927616682.db2.gz PKJRSNRBGITGHV-CHWSQXEVSA-N 1 0 284.356 1.707 20 5 CDBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987739 927625138 /nfs/dbraw/zinc/62/51/38/927625138.db2.gz JYJBIXZOOTZBSQ-RVMXOQNASA-N 1 0 284.356 1.753 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(CC(F)(F)F)CC2)C1 ZINC001169033841 927641437 /nfs/dbraw/zinc/64/14/37/927641437.db2.gz DJGPIZLMISIIPD-MNOVXSKESA-N 1 0 295.305 1.612 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](n2cncc2C2CC[NH2+]CC2)C1 ZINC001169036399 927644707 /nfs/dbraw/zinc/64/47/07/927644707.db2.gz FTJXFVDXQVMEBI-YPMHNXCESA-N 1 0 278.356 1.968 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H](N2CC[NH+]3CCC2CC3)C1 ZINC001169036583 927646884 /nfs/dbraw/zinc/64/68/84/927646884.db2.gz GVLIAGVTFFDZBI-AAEUAGOBSA-N 1 0 253.346 1.212 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCc3ncncc3C2)C1 ZINC001169038283 927650807 /nfs/dbraw/zinc/65/08/07/927650807.db2.gz XROUDOBYJWQGBJ-PWSUYJOCSA-N 1 0 262.313 1.280 20 5 CDBDRO O=C1CCC2(CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)N1 ZINC001169057426 927674470 /nfs/dbraw/zinc/67/44/70/927674470.db2.gz VFVYEQVOZSLBGD-NEPJUHHUSA-N 1 0 281.356 1.176 20 5 CDBDRO [NH3+]Cc1ccc2c(n1)N(c1ccc([N+](=O)[O-])cn1)CCC2 ZINC001169585287 928237143 /nfs/dbraw/zinc/23/71/43/928237143.db2.gz VKFYIHKULYSGDP-UHFFFAOYSA-N 1 0 285.307 1.928 20 5 CDBDRO Cc1c(F)cc([N+](=O)[O-])cc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001170786879 930023109 /nfs/dbraw/zinc/02/31/09/930023109.db2.gz BFGJMYSPXVVLAX-UFBFGSQYSA-N 1 0 269.276 1.035 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1cc([N+](=O)[O-])cc(C)c1F ZINC001170866116 930522382 /nfs/dbraw/zinc/52/23/82/930522382.db2.gz NIBNMOQSLTXNFZ-NSHDSACASA-N 1 0 257.265 1.512 20 5 CDBDRO CCc1nn(C)c(N2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001116447011 937448840 /nfs/dbraw/zinc/44/88/40/937448840.db2.gz RAMCOJFXUJEYNP-UHFFFAOYSA-N 1 0 295.387 1.811 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1N[C@H]1C[C@H]2CC[N@H+](C1)[C@H]2C ZINC001170971645 931092068 /nfs/dbraw/zinc/09/20/68/931092068.db2.gz JXWRCDYOYZDPFO-AXFHLTTASA-N 1 0 292.339 1.893 20 5 CDBDRO CC(C)([NH3+])CNc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001160031943 931151638 /nfs/dbraw/zinc/15/16/38/931151638.db2.gz HBZVEUMMPHEJDK-UHFFFAOYSA-N 1 0 260.681 1.031 20 5 CDBDRO N[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@H]1F ZINC001246592810 932017298 /nfs/dbraw/zinc/01/72/98/932017298.db2.gz WAUKDOUWNQQOGO-DDHJBXDOSA-N 1 0 259.325 1.193 20 5 CDBDRO CC1(C[NH3+])CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246596864 932049082 /nfs/dbraw/zinc/04/90/82/932049082.db2.gz KONDNDMMRYNDFA-CYBMUJFWSA-N 1 0 261.325 1.343 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C)([NH3+])CC1 ZINC001118146360 937595960 /nfs/dbraw/zinc/59/59/60/937595960.db2.gz XTQKDOKPZAVTAI-UHFFFAOYSA-N 1 0 292.339 1.590 20 5 CDBDRO Cc1ccnc(N2CCOC[C@@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC001154967652 937613935 /nfs/dbraw/zinc/61/39/35/937613935.db2.gz KBVKXXWICRQVRV-NSHDSACASA-N 1 0 280.328 1.065 20 5 CDBDRO COc1ccc(-n2cc3ccc(C[NH3+])cc3n2)nc1[N+](=O)[O-] ZINC001171314941 932619522 /nfs/dbraw/zinc/61/95/22/932619522.db2.gz JKHKLGMFNZYOMH-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO Nc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC001154987488 937616772 /nfs/dbraw/zinc/61/67/72/937616772.db2.gz XUAVDZXFCDKPGB-HTQZYQBOSA-N 1 0 251.290 1.254 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1NC[C@]1(F)CCCC[NH2+]C1 ZINC001155118302 937637674 /nfs/dbraw/zinc/63/76/74/937637674.db2.gz LCXWQXFYQMLAIV-LBPRGKRZSA-N 1 0 283.307 1.466 20 5 CDBDRO [NH3+]Cc1ccnn1-c1cc(Cl)ncc1[N+](=O)[O-] ZINC001155124384 937638336 /nfs/dbraw/zinc/63/83/36/937638336.db2.gz VSXUTELJFYMBMZ-UHFFFAOYSA-N 1 0 253.649 1.288 20 5 CDBDRO COc1cc(C)nc(N[C@@H]2CC[NH2+][C@@H]2C)c1[N+](=O)[O-] ZINC001155187690 937646309 /nfs/dbraw/zinc/64/63/09/937646309.db2.gz MDXPIURLYWMESF-RKDXNWHRSA-N 1 0 266.301 1.469 20 5 CDBDRO O=[N+]([O-])c1cnc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc21 ZINC001119342048 937711474 /nfs/dbraw/zinc/71/14/74/937711474.db2.gz KXGBYCQZGMCTKD-GHMZBOCLSA-N 1 0 284.319 1.799 20 5 CDBDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC[N+](=O)[O-])C1 ZINC001119744217 937752676 /nfs/dbraw/zinc/75/26/76/937752676.db2.gz VNWVIMKEYHPECQ-MNOVXSKESA-N 1 0 273.333 1.110 20 5 CDBDRO CSCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001120468827 937801480 /nfs/dbraw/zinc/80/14/80/937801480.db2.gz UTRGIIULACMIEX-UHFFFAOYSA-N 1 0 283.353 1.876 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001120561904 937810200 /nfs/dbraw/zinc/81/02/00/937810200.db2.gz YNAKMWQEXLRRNA-ZYHUDNBSSA-N 1 0 292.339 1.659 20 5 CDBDRO Cn1c(CC[NH2+]CC[N+](=O)[O-])nc2cc(F)ccc21 ZINC001120582325 937813177 /nfs/dbraw/zinc/81/31/77/937813177.db2.gz PDXVLFAQGOLQIO-UHFFFAOYSA-N 1 0 266.276 1.121 20 5 CDBDRO C[N@@H+]1CCN(c2cc(N)c([N+](=O)[O-])cn2)CCC1(C)C ZINC001120867687 937843378 /nfs/dbraw/zinc/84/33/78/937843378.db2.gz IIBXIGCXLCLFLQ-UHFFFAOYSA-N 1 0 279.344 1.493 20 5 CDBDRO [NH3+]CCc1nccn1-c1cc(Cl)ncc1[N+](=O)[O-] ZINC001156477829 938372629 /nfs/dbraw/zinc/37/26/29/938372629.db2.gz NXSQVBRJPPHUPQ-UHFFFAOYSA-N 1 0 267.676 1.330 20 5 CDBDRO COc1cc(C)nc(N2CC[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC001156689342 938406201 /nfs/dbraw/zinc/40/62/01/938406201.db2.gz XOORUZXCCYXYLY-SECBINFHSA-N 1 0 266.301 1.105 20 5 CDBDRO Nc1cc(-n2nc(C[NH3+])c3ccccc32)ncc1[N+](=O)[O-] ZINC001156860947 938426930 /nfs/dbraw/zinc/42/69/30/938426930.db2.gz WEFQVAMWLWFZOX-UHFFFAOYSA-N 1 0 284.279 1.370 20 5 CDBDRO C[NH2+]CCNc1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001156892224 938430083 /nfs/dbraw/zinc/43/00/83/938430083.db2.gz RIXJTJGUZJXRCS-UHFFFAOYSA-N 1 0 265.100 1.928 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001157259875 938469931 /nfs/dbraw/zinc/46/99/31/938469931.db2.gz GQOAMDGACZCCCQ-DGCLKSJQSA-N 1 0 276.340 1.829 20 5 CDBDRO CC(C)Oc1nc(N2C[C@@H]3C[NH2+][C@@H]3C2)ccc1[N+](=O)[O-] ZINC001157623724 938522179 /nfs/dbraw/zinc/52/21/79/938522179.db2.gz HBXAFVJUVKOMCV-VHSXEESVSA-N 1 0 278.312 1.185 20 5 CDBDRO [NH3+]C[C@]1(F)CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001157812729 938550134 /nfs/dbraw/zinc/55/01/34/938550134.db2.gz GYYDULRMJSLEMT-CYBMUJFWSA-N 1 0 291.286 1.415 20 5 CDBDRO C[NH2+]CCN(c1ncc([N+](=O)[O-])cc1F)C(C)(C)C ZINC001157830211 938553404 /nfs/dbraw/zinc/55/34/04/938553404.db2.gz OBFWQRFTEIRIPM-UHFFFAOYSA-N 1 0 270.308 1.953 20 5 CDBDRO C[C@H]1CN(c2ncnc3cc([N+](=O)[O-])ccc32)C[C@H](C)[NH2+]1 ZINC001158177327 938591262 /nfs/dbraw/zinc/59/12/62/938591262.db2.gz SWXWFFYDNKTVMM-UWVGGRQHSA-N 1 0 287.323 1.725 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1ncc2c1cccc2C[NH3+] ZINC001158311112 938608212 /nfs/dbraw/zinc/60/82/12/938608212.db2.gz HELSMSRSPQGAKJ-UHFFFAOYSA-N 1 0 299.290 1.334 20 5 CDBDRO C[C@@]1(C[NH3+])CCCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC001158676175 938649347 /nfs/dbraw/zinc/64/93/47/938649347.db2.gz XNFZBGCVWWFCKE-LBPRGKRZSA-N 1 0 268.292 1.694 20 5 CDBDRO [NH3+]Cc1ccn(-c2nccc(Cl)c2[N+](=O)[O-])c1 ZINC001158760408 938660510 /nfs/dbraw/zinc/66/05/10/938660510.db2.gz UTFSWYLONUQZGM-UHFFFAOYSA-N 1 0 252.661 1.893 20 5 CDBDRO CN(CC[NH3+])CCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC001159443463 938728678 /nfs/dbraw/zinc/72/86/78/938728678.db2.gz UINAREVMGGRHLS-UHFFFAOYSA-N 1 0 289.339 1.445 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2C[NH2+]C[C@@H]2CO)c2ccccc21 ZINC001159678158 938744549 /nfs/dbraw/zinc/74/45/49/938744549.db2.gz OUPSGUXGTDSYFD-BXKDBHETSA-N 1 0 288.307 1.135 20 5 CDBDRO CN(C)/C=C/c1cc(NCC(C)(C)[NH3+])ncc1[N+](=O)[O-] ZINC001160032044 938765596 /nfs/dbraw/zinc/76/55/96/938765596.db2.gz LZHYWJMQWXNHCF-AATRIKPKSA-N 1 0 279.344 1.671 20 5 CDBDRO Nc1nc(-n2cc3ccc(C[NH3+])cc3n2)ccc1[N+](=O)[O-] ZINC001160140420 938770560 /nfs/dbraw/zinc/77/05/60/938770560.db2.gz NRMIHSHRZAUZLV-UHFFFAOYSA-N 1 0 284.279 1.370 20 5 CDBDRO [NH3+]C[C@H]1COc2ccccc2N1c1cc([N+](=O)[O-])ccn1 ZINC001160196921 938774840 /nfs/dbraw/zinc/77/48/40/938774840.db2.gz ZIVUYVCSHYPHSF-NSHDSACASA-N 1 0 286.291 1.848 20 5 CDBDRO [NH3+]C/C=C/CNC(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001160976784 938849117 /nfs/dbraw/zinc/84/91/17/938849117.db2.gz HCRYILNSHIUIIR-OWOJBTEDSA-N 1 0 292.673 1.797 20 5 CDBDRO N=c1ncc(C[NH3+])cn1-c1nc2ccccc2cc1[N+](=O)[O-] ZINC001161416401 938901457 /nfs/dbraw/zinc/90/14/57/938901457.db2.gz VYEYJFSOIYPRKQ-UHFFFAOYSA-N 1 0 296.290 1.267 20 5 CDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1C[C@@](C)([NH3+])C1 ZINC001162328525 939024416 /nfs/dbraw/zinc/02/44/16/939024416.db2.gz DWPVQANXUQURBJ-KTLJEJPDSA-N 1 0 294.311 1.458 20 5 CDBDRO CC(C)(Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])C1CC1 ZINC001162517007 939077387 /nfs/dbraw/zinc/07/73/87/939077387.db2.gz LIERBEYCLJEJDX-UHFFFAOYSA-N 1 0 277.328 1.672 20 5 CDBDRO COC(=O)c1cc(NC[C@H]2C[NH2+][C@H](C)C2)cc([N+](=O)[O-])c1 ZINC001162558648 939087215 /nfs/dbraw/zinc/08/72/15/939087215.db2.gz CPXJGTBCEYDGQA-NXEZZACHSA-N 1 0 293.323 1.791 20 5 CDBDRO [NH3+][C@H]1COC[C@H]1Nc1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC001162925158 939162179 /nfs/dbraw/zinc/16/21/79/939162179.db2.gz PLBBWDIQTAQAQW-KJDJKKKBSA-N 1 0 283.715 1.725 20 5 CDBDRO Cc1cccc(NC[C@@]23C[NH2+][C@@H](CO2)C3)c1[N+](=O)[O-] ZINC001163196425 939223269 /nfs/dbraw/zinc/22/32/69/939223269.db2.gz CEDPOLDJHIWZBC-ZWNOBZJWSA-N 1 0 263.297 1.446 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2C[NH2+]Cc3ccsc32)nc1 ZINC001163219754 939227985 /nfs/dbraw/zinc/22/79/85/939227985.db2.gz FRAFKZYNGRYFHZ-SECBINFHSA-N 1 0 277.309 1.703 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ncnc1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163255176 939233355 /nfs/dbraw/zinc/23/33/55/939233355.db2.gz SMHSZSYWFDDKSF-CSMHCCOUSA-N 1 0 283.719 1.448 20 5 CDBDRO Cc1cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)ncc1[N+](=O)[O-] ZINC001163262962 939235140 /nfs/dbraw/zinc/23/51/40/939235140.db2.gz RXYYMTRFRMAHTB-VWYCJHECSA-N 1 0 262.313 1.708 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)nc1 ZINC001163643092 939296827 /nfs/dbraw/zinc/29/68/27/939296827.db2.gz HQMZKZMJEJOEDM-GXTWGEPZSA-N 1 0 292.339 1.703 20 5 CDBDRO C[NH2+]CCN(C)c1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001163719170 939314316 /nfs/dbraw/zinc/31/43/16/939314316.db2.gz PAAWVKOHLSXHFL-UHFFFAOYSA-N 1 0 279.127 1.952 20 5 CDBDRO Cc1c(F)cnc(N[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC001163773260 939327213 /nfs/dbraw/zinc/32/72/13/939327213.db2.gz SJKQESYJNQEWOZ-SSDOTTSWSA-N 1 0 256.281 1.799 20 5 CDBDRO Cc1nccn1CCNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001163924668 939353951 /nfs/dbraw/zinc/35/39/51/939353951.db2.gz ZRCGCOIEVDGEHL-UHFFFAOYSA-N 1 0 287.323 1.815 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1ncc(F)c(C)c1[N+](=O)[O-] ZINC001163979537 939368547 /nfs/dbraw/zinc/36/85/47/939368547.db2.gz BJZAOIBAXCAXRW-UHFFFAOYSA-N 1 0 265.248 1.390 20 5 CDBDRO COc1cnc(N2CCC[C@@](C)(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001164248628 939441582 /nfs/dbraw/zinc/44/15/82/939441582.db2.gz WNVMYWYQONCOFM-CQSZACIVSA-N 1 0 294.355 1.954 20 5 CDBDRO O=[N+]([O-])c1cc(-n2cnc3c2C[NH2+]CC3)nc2[nH]ccc21 ZINC001164317058 939453326 /nfs/dbraw/zinc/45/33/26/939453326.db2.gz VQHDVJDHCJCUOT-UHFFFAOYSA-N 1 0 284.279 1.303 20 5 CDBDRO C[NH+](C)C1(C)CN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC001165116516 939511776 /nfs/dbraw/zinc/51/17/76/939511776.db2.gz FXVYBYBQEMVFDP-UHFFFAOYSA-N 1 0 254.265 1.269 20 5 CDBDRO [NH3+]CC1(F)CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001165259560 939535317 /nfs/dbraw/zinc/53/53/17/939535317.db2.gz NRRLUCMGXGVGRA-UHFFFAOYSA-N 1 0 288.710 1.910 20 5 CDBDRO [NH3+][C@H]1[C@H]2CN(c3cc([N+](=O)[O-])cc(Cl)n3)C[C@@H]12 ZINC001165380764 939553150 /nfs/dbraw/zinc/55/31/50/939553150.db2.gz IJQVWNJSXBMSQY-LYIWLLOFSA-N 1 0 254.677 1.037 20 5 CDBDRO Cc1cc(Cl)nc(N2CCC[C@H]3[NH2+]C[C@H]32)c1[N+](=O)[O-] ZINC001165394804 939558456 /nfs/dbraw/zinc/55/84/56/939558456.db2.gz ZCCJWBFQAXTGOC-RKDXNWHRSA-N 1 0 282.731 1.892 20 5 CDBDRO Nc1cc(N2CCC(C3C[NH2+]C3)CC2)ncc1[N+](=O)[O-] ZINC001165410051 939560702 /nfs/dbraw/zinc/56/07/02/939560702.db2.gz UZHZRQSWRWWOID-UHFFFAOYSA-N 1 0 277.328 1.008 20 5 CDBDRO [NH3+]C1([C@@H]2CN(c3cc([N+](=O)[O-])ccn3)C[C@H]2CF)CC1 ZINC001165426965 939563283 /nfs/dbraw/zinc/56/32/83/939563283.db2.gz KSDGEAHAKHZLBL-MWLCHTKSSA-N 1 0 280.303 1.503 20 5 CDBDRO [NH3+][C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@@H]1F ZINC001166929718 939650995 /nfs/dbraw/zinc/65/09/95/939650995.db2.gz NRXGDIRYZLZGPH-NWDGAFQWSA-N 1 0 276.271 1.628 20 5 CDBDRO [NH3+][C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1(F)F ZINC001166961207 939661631 /nfs/dbraw/zinc/66/16/31/939661631.db2.gz XDQVUKMNZWLVPX-QMMMGPOBSA-N 1 0 292.673 1.816 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCS(=O)(=O)c1ccccc1 ZINC001206103858 939981576 /nfs/dbraw/zinc/98/15/76/939981576.db2.gz WAKAJUFBNLLNBX-LBPRGKRZSA-N 1 0 272.390 1.529 20 5 CDBDRO C[NH+](C)CCO[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001206271921 940010007 /nfs/dbraw/zinc/01/00/07/940010007.db2.gz BQAWBVRHNDHNFM-ZDUSSCGKSA-N 1 0 250.298 1.640 20 5 CDBDRO Nc1ccc(O[C@@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001217973118 941032833 /nfs/dbraw/zinc/03/28/33/941032833.db2.gz BYUMXBKOTAQAQO-SNVBAGLBSA-N 1 0 251.286 1.698 20 5 CDBDRO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@H]1CC[N@H+](C)C1 ZINC001222772494 941632894 /nfs/dbraw/zinc/63/28/94/941632894.db2.gz CZTJODDIEFLMOH-JTQLQIEISA-N 1 0 294.307 1.602 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)O[C@@H]1OC(=O)c2ccccc21 ZINC001223315239 941669182 /nfs/dbraw/zinc/66/91/82/941669182.db2.gz IKBFRLGHBFOCEZ-IINYFYTJSA-N 1 0 250.318 1.967 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1noc2ccccc21 ZINC001223610248 941687837 /nfs/dbraw/zinc/68/78/37/941687837.db2.gz CYKYKJBIQNWGJX-LLVKDONJSA-N 1 0 293.343 1.328 20 5 CDBDRO C[C@H](C[NH+](C)C)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001224095578 941719560 /nfs/dbraw/zinc/71/95/60/941719560.db2.gz CAUPISWVGHLNJK-SECBINFHSA-N 1 0 283.284 1.970 20 5 CDBDRO COC(=O)CC1CCC(OCC[N+](C)(C)C)CC1 ZINC001224773636 941790472 /nfs/dbraw/zinc/79/04/72/941790472.db2.gz LMXGBGUVSQANBT-UHFFFAOYSA-N 1 0 258.382 1.831 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2c(c1)CCC2 ZINC001225264086 941835902 /nfs/dbraw/zinc/83/59/02/941835902.db2.gz MHMWHVCUNSIBPT-CQSZACIVSA-N 1 0 278.372 1.538 20 5 CDBDRO COC(=O)c1ccncc1O[C@H](C)C[N+](C)(C)C ZINC001225519354 941872701 /nfs/dbraw/zinc/87/27/01/941872701.db2.gz YZHHGKKKWVRIQE-SNVBAGLBSA-N 1 0 253.322 1.342 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2ncc(F)cc2[N+](=O)[O-])C1 ZINC001226755790 942064035 /nfs/dbraw/zinc/06/40/35/942064035.db2.gz MFKDYKKMRZQRNI-VIFPVBQESA-N 1 0 255.249 1.602 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Br)ncn1 ZINC001227038387 942119022 /nfs/dbraw/zinc/11/90/22/942119022.db2.gz ZLIRXKKXZOCVFV-MRVPVSSYSA-N 1 0 275.170 1.713 20 5 CDBDRO C[N@@H+]1CCC[C@@H](Oc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001227108099 942133327 /nfs/dbraw/zinc/13/33/27/942133327.db2.gz JXDRSSFTVXMAFS-SNVBAGLBSA-N 1 0 296.283 1.761 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2ncc(C)cc2[N+](=O)[O-])C1 ZINC001227234549 942153929 /nfs/dbraw/zinc/15/39/29/942153929.db2.gz HAILLMYSHJXVBK-SNVBAGLBSA-N 1 0 251.286 1.771 20 5 CDBDRO COC(=O)c1cccc(OC)c1O[C@H](C)C[N+](C)(C)C ZINC001228162589 942277754 /nfs/dbraw/zinc/27/77/54/942277754.db2.gz GBUTWFPLTMYYAI-LLVKDONJSA-N 1 0 282.360 1.955 20 5 CDBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ncncc1[N+](=O)[O-] ZINC001228660523 942349668 /nfs/dbraw/zinc/34/96/68/942349668.db2.gz SCGHOVGLCUNEGJ-PEGIJTEDSA-N 1 0 278.312 1.494 20 5 CDBDRO COCC[NH+]1CCC(Oc2cnccc2[N+](=O)[O-])CC1 ZINC001228883161 942387865 /nfs/dbraw/zinc/38/78/65/942387865.db2.gz UEAUUPDFQBLZLF-UHFFFAOYSA-N 1 0 281.312 1.479 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1nc[nH]c2cc(=O)ccc1-2 ZINC001231117235 942790752 /nfs/dbraw/zinc/79/07/52/942790752.db2.gz YDHUSLDAWZJBOQ-JTQLQIEISA-O 1 0 262.333 1.809 20 5 CDBDRO C[NH+](C)CCONC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001331185706 943536608 /nfs/dbraw/zinc/53/66/08/943536608.db2.gz VMRPUUTUKLBJAF-UHFFFAOYSA-N 1 0 281.312 1.137 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccnc([N+](=O)[O-])c2)C1 ZINC001233858009 943674066 /nfs/dbraw/zinc/67/40/66/943674066.db2.gz QVCMRWMRPZBCCD-LLVKDONJSA-N 1 0 251.286 1.851 20 5 CDBDRO C[C@@H](NC(=O)CCC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001263197317 943783190 /nfs/dbraw/zinc/78/31/90/943783190.db2.gz RVDDTQQQIUCBBT-SECBINFHSA-N 1 0 251.286 1.511 20 5 CDBDRO CSCC[C@@H]([NH3+])C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001263329342 943833273 /nfs/dbraw/zinc/83/32/73/943833273.db2.gz CVHRJQRBHJJTMZ-LLVKDONJSA-N 1 0 283.353 1.922 20 5 CDBDRO CCN(C(=O)c1ccc(NC)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC001262047269 946400867 /nfs/dbraw/zinc/40/08/67/946400867.db2.gz LOWCHYIBSTWSKM-LLVKDONJSA-N 1 0 292.339 1.461 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCS(=O)(=O)C1 ZINC001254532385 947508393 /nfs/dbraw/zinc/50/83/93/947508393.db2.gz NSGLVBAXRDCHLZ-JQWIXIFHSA-N 1 0 298.364 1.303 20 5 CDBDRO CC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(N)=O ZINC001254533859 947514132 /nfs/dbraw/zinc/51/41/32/947514132.db2.gz POZRNYZMRVPANF-KOLCDFICSA-N 1 0 265.313 1.379 20 5 CDBDRO Cn1nccc1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254564856 947528254 /nfs/dbraw/zinc/52/82/54/947528254.db2.gz AYJSOCMOSZRHLJ-GFCCVEGCSA-N 1 0 272.308 1.585 20 5 CDBDRO CN1CC(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254578060 947535970 /nfs/dbraw/zinc/53/59/70/947535970.db2.gz ITSSRFCRJNCLAB-ZDUSSCGKSA-N 1 0 261.325 1.213 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246640250 948376652 /nfs/dbraw/zinc/37/66/52/948376652.db2.gz DUYZOBPZHDQGSB-BYCMXARLSA-N 1 0 275.352 1.962 20 5 CDBDRO C[NH+](C)CC(C)(C)CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335882214 955079644 /nfs/dbraw/zinc/07/96/44/955079644.db2.gz TVOWYDKEINWQOF-AWEZNQCLSA-N 1 0 295.383 1.806 20 5 CDBDRO O=C(NCC[NH+]1CC=CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC001330268926 956352203 /nfs/dbraw/zinc/35/22/03/956352203.db2.gz DQJCGWHZUSFZNY-UHFFFAOYSA-N 1 0 276.296 1.588 20 5 CDBDRO [NH3+][C@H]1CC[C@@H](C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001330600289 956507811 /nfs/dbraw/zinc/50/78/11/956507811.db2.gz FDKVZQBPIQUFQA-GSJFWJNXSA-N 1 0 289.335 1.955 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1cnn(C)c1C ZINC001330672886 956556172 /nfs/dbraw/zinc/55/61/72/956556172.db2.gz QYOUPOFNARKWBD-VIFPVBQESA-N 1 0 292.343 1.492 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC001332402573 957549062 /nfs/dbraw/zinc/54/90/62/957549062.db2.gz WOCYKRRZYDUUIY-VIFPVBQESA-N 1 0 280.328 1.213 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NCC[NH+]1CCC(C)CC1 ZINC001320899378 959450503 /nfs/dbraw/zinc/45/05/03/959450503.db2.gz XJTMHMHBFZLAEI-UHFFFAOYSA-N 1 0 278.356 1.864 20 5 CDBDRO CN(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335481098 959832694 /nfs/dbraw/zinc/83/26/94/959832694.db2.gz JAGJNAZJASQGQB-RBSFLKMASA-N 1 0 293.367 1.701 20 5 CDBDRO C[C@@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]CC[N+](=O)[O-] ZINC001335487189 959839333 /nfs/dbraw/zinc/83/93/33/959839333.db2.gz VLFDZVWUPQCRRJ-UKRRQHHQSA-N 1 0 277.368 1.763 20 5 CDBDRO Cc1c(CNC(=O)[C@]23CC[C@H]2C[NH2+]C3)cccc1[N+](=O)[O-] ZINC001340375145 962913477 /nfs/dbraw/zinc/91/34/77/962913477.db2.gz NRQYDWSBJKNELM-WFASDCNBSA-N 1 0 289.335 1.519 20 5 CDBDRO CC(C)[N@H+](CC[N+](=O)[O-])C[C@H](O)COc1ccccc1 ZINC001341393649 963395710 /nfs/dbraw/zinc/39/57/10/963395710.db2.gz RQALVJZPVVAGKU-ZDUSSCGKSA-N 1 0 282.340 1.413 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341664756 963503793 /nfs/dbraw/zinc/50/37/93/963503793.db2.gz FOZGBGCWZUEJHN-LERXQTSPSA-N 1 0 291.351 1.813 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341776919 963539794 /nfs/dbraw/zinc/53/97/94/963539794.db2.gz CVMVMRNUUDFWAW-LERXQTSPSA-N 1 0 291.351 1.942 20 5 CDBDRO [NH3+][C@H]1C[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC001342170839 963661224 /nfs/dbraw/zinc/66/12/24/963661224.db2.gz PGVXKMBUYFEWNN-KTUVFONYSA-N 1 0 261.281 1.214 20 5 CDBDRO C[C@@H](CNC(=O)[C@@H](C)C[NH3+])c1ccccc1[N+](=O)[O-] ZINC001342832195 963835739 /nfs/dbraw/zinc/83/57/39/963835739.db2.gz MMUMUUQXSPFAAA-UWVGGRQHSA-N 1 0 265.313 1.409 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)C23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC001343338232 963956101 /nfs/dbraw/zinc/95/61/01/963956101.db2.gz ZDIVXWKCVQJBTL-RWWNRMGGSA-N 1 0 289.335 1.832 20 5 CDBDRO Cc1cc(NC(=O)C23CC(C2)C[NH2+]3)cc([N+](=O)[O-])c1 ZINC001343682252 964092695 /nfs/dbraw/zinc/09/26/95/964092695.db2.gz WNOZDFFARODXLQ-UHFFFAOYSA-N 1 0 261.281 1.594 20 5 CDBDRO Nc1cc(N2CC[C@H](C[NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC001348000839 965783575 /nfs/dbraw/zinc/78/35/75/965783575.db2.gz QUDVQOBRPPPYGF-LLVKDONJSA-N 1 0 291.355 1.494 20 5 CDBDRO CC[NH2+][C@@H](C)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001349596737 966401529 /nfs/dbraw/zinc/40/15/29/966401529.db2.gz MFUBJXDJRAZPJZ-VIFPVBQESA-N 1 0 263.297 1.435 20 5 CDBDRO O=[N+]([O-])c1sccc1NCC[N@H+]1CC[C@H](O)C1 ZINC000599199411 343979211 /nfs/dbraw/zinc/97/92/11/343979211.db2.gz JWVKUNPJSMOZOG-QMMMGPOBSA-N 1 0 257.315 1.135 20 5 CDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000590403312 342543955 /nfs/dbraw/zinc/54/39/55/342543955.db2.gz KRYDERIJIFMNPJ-CMPLNLGQSA-N 1 0 277.324 1.759 20 5 CDBDRO C[C@@H](C[NH3+])C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000565037960 365577608 /nfs/dbraw/zinc/57/76/08/365577608.db2.gz KBIQZVZAMJISEN-JTQLQIEISA-N 1 0 277.324 1.681 20 5 CDBDRO Cc1cc(N2CC[C@@H]([NH+](C)C)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000590568527 342576168 /nfs/dbraw/zinc/57/61/68/342576168.db2.gz DYFRQHJAGHTKKC-WDEREUQCSA-N 1 0 264.329 1.827 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(CO)CC2)c1 ZINC000046090588 342049664 /nfs/dbraw/zinc/04/96/64/342049664.db2.gz NDIOPJMMVOUZNK-UHFFFAOYSA-N 1 0 280.324 1.678 20 5 CDBDRO C[C@H]1CC[NH2+][C@@H](C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000127121714 342066711 /nfs/dbraw/zinc/06/67/11/342066711.db2.gz DBDPIQLGRZTXNQ-GXFFZTMASA-N 1 0 277.324 1.599 20 5 CDBDRO CN(CCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083185010 342093590 /nfs/dbraw/zinc/09/35/90/342093590.db2.gz XWBLHTRXCKSZMV-UHFFFAOYSA-N 1 0 251.242 1.160 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[NH2+]C1CC1 ZINC000591679161 342641761 /nfs/dbraw/zinc/64/17/61/342641761.db2.gz DKJGTJGWULPJRX-UHFFFAOYSA-N 1 0 293.323 1.475 20 5 CDBDRO Cc1cc(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000592245337 342681016 /nfs/dbraw/zinc/68/10/16/342681016.db2.gz GUEHAXAAUFGADE-CYBMUJFWSA-N 1 0 291.351 1.973 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000592215184 342681490 /nfs/dbraw/zinc/68/14/90/342681490.db2.gz ZEDVHBBJVHBMLK-QWRGUYRKSA-N 1 0 294.355 1.562 20 5 CDBDRO CNc1ccc(C(=O)N2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000592294587 342683992 /nfs/dbraw/zinc/68/39/92/342683992.db2.gz HRLOTKSPKDPJGX-SECBINFHSA-N 1 0 278.312 1.057 20 5 CDBDRO CC1(C)C[NH2+][C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000592012803 342661793 /nfs/dbraw/zinc/66/17/93/342661793.db2.gz HLDOTCJOILEUSF-LBPRGKRZSA-N 1 0 292.339 1.121 20 5 CDBDRO COc1cc(CN(C)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000592427713 342694646 /nfs/dbraw/zinc/69/46/46/342694646.db2.gz SYBBQJCUMGAZPR-NSHDSACASA-N 1 0 295.339 1.406 20 5 CDBDRO CC[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000592538022 342707951 /nfs/dbraw/zinc/70/79/51/342707951.db2.gz LRRUGFJCRKXJNH-LOWVWBTDSA-N 1 0 277.324 1.899 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000592557646 342709646 /nfs/dbraw/zinc/70/96/46/342709646.db2.gz PKHOCOXVRVRFEP-MNOVXSKESA-N 1 0 293.323 1.650 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(CO)CC2)cc1 ZINC000065534605 342168418 /nfs/dbraw/zinc/16/84/18/342168418.db2.gz SSYWNMKLUMZWMH-UHFFFAOYSA-N 1 0 280.324 1.678 20 5 CDBDRO CCC[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248638189 344002761 /nfs/dbraw/zinc/00/27/61/344002761.db2.gz YPQGWSQNBPPRQU-GXTWGEPZSA-N 1 0 296.371 1.807 20 5 CDBDRO COc1cc(C[N@H+](C)[C@@H](C)CCO)c([N+](=O)[O-])cc1OC ZINC000593695202 342824260 /nfs/dbraw/zinc/82/42/60/342824260.db2.gz YNPGHTFCEQPLKT-JTQLQIEISA-N 1 0 298.339 1.815 20 5 CDBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000138255464 361979492 /nfs/dbraw/zinc/97/94/92/361979492.db2.gz HHXRERKSLXBXAN-NXEZZACHSA-N 1 0 295.343 1.168 20 5 CDBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000138255569 361980406 /nfs/dbraw/zinc/98/04/06/361980406.db2.gz HHXRERKSLXBXAN-VHSXEESVSA-N 1 0 295.343 1.168 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)COCC2CC2)cc1 ZINC000040676047 342220208 /nfs/dbraw/zinc/22/02/08/342220208.db2.gz XOFPNEKALYQLEH-OAHLLOKOSA-N 1 0 294.351 1.514 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000594427874 342897144 /nfs/dbraw/zinc/89/71/44/342897144.db2.gz LMWFEFCLBYZNCN-DZGCQCFKSA-N 1 0 289.335 1.601 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000142070517 342236757 /nfs/dbraw/zinc/23/67/57/342236757.db2.gz XQSYDSHPJRPKSH-GFCCVEGCSA-N 1 0 289.335 1.905 20 5 CDBDRO C[NH2+]C1(CNC(=O)c2cccc([N+](=O)[O-])c2OC)CCC1 ZINC000600827980 342252050 /nfs/dbraw/zinc/25/20/50/342252050.db2.gz ZXLARJYAZBQJRT-UHFFFAOYSA-N 1 0 293.323 1.475 20 5 CDBDRO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000594970256 342991773 /nfs/dbraw/zinc/99/17/73/342991773.db2.gz WQQCDBLIEDYVKV-MRVPVSSYSA-N 1 0 256.327 1.907 20 5 CDBDRO Cc1cc(N2CC[C@H]([NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000074746776 342303727 /nfs/dbraw/zinc/30/37/27/342303727.db2.gz XJOLLILSOIMAIE-LBPRGKRZSA-N 1 0 276.340 1.973 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@]1(O)CCOC1 ZINC000595036580 342998023 /nfs/dbraw/zinc/99/80/23/342998023.db2.gz SFQITFSYCDYJSS-HZMBPMFUSA-N 1 0 296.323 1.405 20 5 CDBDRO COC[C@@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595045012 342998918 /nfs/dbraw/zinc/99/89/18/342998918.db2.gz AYHLKYWBGMIYKY-NXEZZACHSA-N 1 0 284.312 1.261 20 5 CDBDRO Cc1noc(CN2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000595303735 343030578 /nfs/dbraw/zinc/03/05/78/343030578.db2.gz AUNCUPFMSYJFIP-SNVBAGLBSA-N 1 0 268.317 1.417 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000619522856 349788739 /nfs/dbraw/zinc/78/87/39/349788739.db2.gz KNELVCFCBSGFQW-SNVBAGLBSA-N 1 0 280.328 1.147 20 5 CDBDRO COc1ccc(NC(=O)[C@@H]([NH3+])CC(F)F)cc1[N+](=O)[O-] ZINC000312465636 362053442 /nfs/dbraw/zinc/05/34/42/362053442.db2.gz LOZADPLJAKQBEB-ZETCQYMHSA-N 1 0 289.238 1.524 20 5 CDBDRO O=C1CC[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000595730028 343141129 /nfs/dbraw/zinc/14/11/29/343141129.db2.gz ZIOCHRCQELCBLV-DGCLKSJQSA-N 1 0 289.335 1.695 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000595983753 343211317 /nfs/dbraw/zinc/21/13/17/343211317.db2.gz RNZMNYBGZOXJSN-SECBINFHSA-N 1 0 283.353 1.411 20 5 CDBDRO C[C@]1(NC(=O)CCOc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000595990678 343212939 /nfs/dbraw/zinc/21/29/39/343212939.db2.gz BTKGBJIOJBWCNJ-AWEZNQCLSA-N 1 0 293.323 1.232 20 5 CDBDRO O=C(CC[NH2+][C@H]1C[C@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000596066309 343224132 /nfs/dbraw/zinc/22/41/32/343224132.db2.gz CEUXLPODUGDHFU-MGCOHNPYSA-N 1 0 279.296 1.036 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596103760 343228104 /nfs/dbraw/zinc/22/81/04/343228104.db2.gz FLYVIRDLCZAFQF-VIFPVBQESA-N 1 0 266.301 1.226 20 5 CDBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1CC1 ZINC000596107036 343228848 /nfs/dbraw/zinc/22/88/48/343228848.db2.gz BYFFCANYLFWDQL-UHFFFAOYSA-N 1 0 292.339 1.590 20 5 CDBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596097843 343235726 /nfs/dbraw/zinc/23/57/26/343235726.db2.gz HNPSMXFVTLADNS-JTQLQIEISA-N 1 0 279.344 1.539 20 5 CDBDRO COC[C@@](C)([NH3+])CNc1cc(C)sc1[N+](=O)[O-] ZINC000596128650 343238244 /nfs/dbraw/zinc/23/82/44/343238244.db2.gz ODWSHQJIQVJKNL-JTQLQIEISA-N 1 0 259.331 1.740 20 5 CDBDRO CN(CC[NH+](C)C)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596151625 343245782 /nfs/dbraw/zinc/24/57/82/343245782.db2.gz ILKWAYRPANKQHP-UHFFFAOYSA-N 1 0 258.709 1.641 20 5 CDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc(N)c([N+](=O)[O-])n1 ZINC000596231941 343261569 /nfs/dbraw/zinc/26/15/69/343261569.db2.gz NDDKSPMMPXNFGL-MNOVXSKESA-N 1 0 291.355 1.635 20 5 CDBDRO C[NH2+]C[C@H](C)N[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000596654661 343372337 /nfs/dbraw/zinc/37/23/37/343372337.db2.gz LHSUXDJNTNNSMF-SRVKXCTJSA-N 1 0 281.360 1.473 20 5 CDBDRO Cc1c([C@@H](C)[NH2+]C[C@]2(O)CCOC2)cccc1[N+](=O)[O-] ZINC000090848497 342397611 /nfs/dbraw/zinc/39/76/11/342397611.db2.gz GZUMDJTWDBLLTP-BXUZGUMPSA-N 1 0 280.324 1.705 20 5 CDBDRO CC(C)[NH+](CCCNC(=O)c1[nH]ncc1[N+](=O)[O-])C(C)C ZINC000126752286 187259698 /nfs/dbraw/zinc/25/96/98/187259698.db2.gz UPKOBIRZHCAXAA-UHFFFAOYSA-N 1 0 297.359 1.557 20 5 CDBDRO Cc1ccc(C[NH2+]C2([C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000597234650 343489994 /nfs/dbraw/zinc/48/99/94/343489994.db2.gz MTNYDPJYGGIBDF-JTQLQIEISA-N 1 0 250.298 1.906 20 5 CDBDRO Cc1nc(NCC2(C)CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000295037619 199314010 /nfs/dbraw/zinc/31/40/10/199314010.db2.gz NQCPPJAHJCAEDR-UHFFFAOYSA-N 1 0 279.344 1.837 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000597696092 343614320 /nfs/dbraw/zinc/61/43/20/343614320.db2.gz BGHIXCOEQMGWJE-PSASIEDQSA-N 1 0 266.301 1.088 20 5 CDBDRO CNc1ccc(C(=O)NCC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000598001332 343686249 /nfs/dbraw/zinc/68/62/49/343686249.db2.gz ZEMUJXXJOQGOJF-SNVBAGLBSA-N 1 0 294.355 1.707 20 5 CDBDRO COC(=O)c1ccnc(NCC[NH2+]C(C)(C)C)c1[N+](=O)[O-] ZINC000598594124 343839644 /nfs/dbraw/zinc/83/96/44/343839644.db2.gz ZLPQYJIWJVCPAX-UHFFFAOYSA-N 1 0 296.327 1.576 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CC[NH2+]C1 ZINC000598916480 343920624 /nfs/dbraw/zinc/92/06/24/343920624.db2.gz ZSBWWZPHNPXWNW-SSDOTTSWSA-N 1 0 268.248 1.217 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601645196 344211561 /nfs/dbraw/zinc/21/15/61/344211561.db2.gz UYKAGYYZLZHQGC-JTQLQIEISA-N 1 0 295.314 1.900 20 5 CDBDRO COC[C@](C)(CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000602014754 344313899 /nfs/dbraw/zinc/31/38/99/344313899.db2.gz WIRUKCSDTLOPNI-ZDUSSCGKSA-N 1 0 268.313 1.390 20 5 CDBDRO CN(C(=O)c1c(F)cccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000602428774 344422253 /nfs/dbraw/zinc/42/22/53/344422253.db2.gz JPHHPAQPFYPANT-QMMMGPOBSA-N 1 0 267.260 1.168 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602431188 344423524 /nfs/dbraw/zinc/42/35/24/344423524.db2.gz CQOCJIPOLILWJD-NXEZZACHSA-N 1 0 295.314 1.933 20 5 CDBDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000602431665 344423780 /nfs/dbraw/zinc/42/37/80/344423780.db2.gz IZMGVMQQLQPQNY-SMDDNHRTSA-N 1 0 293.323 1.609 20 5 CDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1c(F)cccc1[N+](=O)[O-] ZINC000602491518 344450739 /nfs/dbraw/zinc/45/07/39/344450739.db2.gz NWQBKGLVAYGPQG-YUMQZZPRSA-N 1 0 285.250 1.164 20 5 CDBDRO C[C@H](CCCC[NH3+])NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602492698 344450803 /nfs/dbraw/zinc/45/08/03/344450803.db2.gz WKPFKZIDAYMWSI-SECBINFHSA-N 1 0 283.303 1.981 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602590139 344479591 /nfs/dbraw/zinc/47/95/91/344479591.db2.gz XGDYJDYHWHCBRS-AAEUAGOBSA-N 1 0 275.308 1.100 20 5 CDBDRO COc1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)sn1 ZINC000602571045 344485474 /nfs/dbraw/zinc/48/54/74/344485474.db2.gz XEDUMNJFJZSJNF-UHFFFAOYSA-N 1 0 283.313 1.046 20 5 CDBDRO COCCN(CCc1ccc([N+](=O)[O-])cc1)CC[NH+](C)C ZINC000602656730 344518223 /nfs/dbraw/zinc/51/82/23/344518223.db2.gz LZIOETCXBNKDJO-UHFFFAOYSA-N 1 0 295.383 1.647 20 5 CDBDRO CO[C@@H]1COCC[C@@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602676421 344525369 /nfs/dbraw/zinc/52/53/69/344525369.db2.gz PKJFCAWTNYVJPQ-UKRRQHHQSA-N 1 0 294.351 1.778 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CC1CCOCC1 ZINC000602799812 344589915 /nfs/dbraw/zinc/58/99/15/344589915.db2.gz UURPKFPEVJGMCY-UHFFFAOYSA-N 1 0 282.344 1.458 20 5 CDBDRO COCC1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602783942 344598411 /nfs/dbraw/zinc/59/84/11/344598411.db2.gz FGNJYKMKMFPASH-UHFFFAOYSA-N 1 0 282.344 1.458 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C1CC1)C(C)(C)CO ZINC000602831005 344613755 /nfs/dbraw/zinc/61/37/55/344613755.db2.gz DVVXBBMQNDIJQN-CYBMUJFWSA-N 1 0 296.371 1.486 20 5 CDBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602813417 344604879 /nfs/dbraw/zinc/60/48/79/344604879.db2.gz XKJCQOVQUWCISW-VHSXEESVSA-N 1 0 298.343 1.277 20 5 CDBDRO CC[NH2+]Cc1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000603203173 344734736 /nfs/dbraw/zinc/73/47/36/344734736.db2.gz MPQWCQMBDUPUAX-UHFFFAOYSA-N 1 0 279.275 1.483 20 5 CDBDRO Cc1cnc(NC[C@@H]2CSCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000603420388 344799863 /nfs/dbraw/zinc/79/98/63/344799863.db2.gz UHHVUKGMIGAZNK-SECBINFHSA-N 1 0 268.342 1.415 20 5 CDBDRO O=[N+]([O-])c1cncc(Cl)c1NC[C@@H]1CSCC[NH2+]1 ZINC000603417764 344807822 /nfs/dbraw/zinc/80/78/22/344807822.db2.gz AGRXQIIEWOFXLZ-SSDOTTSWSA-N 1 0 288.760 1.182 20 5 CDBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000314653948 344913612 /nfs/dbraw/zinc/91/36/12/344913612.db2.gz HIYJKUKCSNITJE-WFASDCNBSA-N 1 0 289.335 1.796 20 5 CDBDRO [NH3+][C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000129223557 362533476 /nfs/dbraw/zinc/53/34/76/362533476.db2.gz INPKYBBKRKTWHO-LLVKDONJSA-N 1 0 267.260 1.201 20 5 CDBDRO Cc1cc(C(=O)N(C)[C@H](C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000159835775 362539863 /nfs/dbraw/zinc/53/98/63/362539863.db2.gz GLCLXZBCGRAERN-CYBMUJFWSA-N 1 0 277.324 1.713 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H](C[NH3+])C1CC1 ZINC000159870832 362545804 /nfs/dbraw/zinc/54/58/04/362545804.db2.gz KRTSLXZONMABNY-MRVPVSSYSA-N 1 0 269.326 1.466 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000320257259 345120659 /nfs/dbraw/zinc/12/06/59/345120659.db2.gz QUWACRYAAVZLIF-NXEZZACHSA-N 1 0 265.313 1.379 20 5 CDBDRO CC[N@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000344204930 362555278 /nfs/dbraw/zinc/55/52/78/362555278.db2.gz BOQFAHHSBDEAOL-UHFFFAOYSA-N 1 0 295.314 1.948 20 5 CDBDRO CCN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H](C)CO ZINC000293407809 362558208 /nfs/dbraw/zinc/55/82/08/362558208.db2.gz MFVDVFAZYYRIIW-VIFPVBQESA-N 1 0 256.277 1.937 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000128856443 345179011 /nfs/dbraw/zinc/17/90/11/345179011.db2.gz JJXAQIWKGWKRKX-CYBMUJFWSA-N 1 0 280.328 1.053 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000129219818 345277176 /nfs/dbraw/zinc/27/71/76/345277176.db2.gz HJUXCDBQBIFPLA-CMPLNLGQSA-N 1 0 277.324 1.855 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000129213735 345277282 /nfs/dbraw/zinc/27/72/82/345277282.db2.gz DQIVIBJTFJMULE-PWSUYJOCSA-N 1 0 277.324 1.476 20 5 CDBDRO C[C@@]1(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000230733564 345440983 /nfs/dbraw/zinc/44/09/83/345440983.db2.gz MCROSXNADYNHIU-CYBMUJFWSA-N 1 0 263.297 1.006 20 5 CDBDRO C[C@]1(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC000230733757 345441603 /nfs/dbraw/zinc/44/16/03/345441603.db2.gz ZEEBDZKDEAZOSN-LBPRGKRZSA-N 1 0 283.715 1.730 20 5 CDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])nc2)C1 ZINC000617454911 345544904 /nfs/dbraw/zinc/54/49/04/345544904.db2.gz NFBOEUOKSRIADV-AAEUAGOBSA-N 1 0 276.340 1.910 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000617491690 345659252 /nfs/dbraw/zinc/65/92/52/345659252.db2.gz JKLPTFRTRIMAEC-LLVKDONJSA-N 1 0 264.329 1.910 20 5 CDBDRO [NH3+]C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CCCO1 ZINC000313361925 260287589 /nfs/dbraw/zinc/28/75/89/260287589.db2.gz YGFRUAQXTJRTHU-SNVBAGLBSA-N 1 0 271.342 1.206 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccsc1 ZINC000610447507 346284200 /nfs/dbraw/zinc/28/42/00/346284200.db2.gz YDQQNJRWCQYDCV-UHFFFAOYSA-N 1 0 266.326 1.985 20 5 CDBDRO C[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000610560056 346310087 /nfs/dbraw/zinc/31/00/87/346310087.db2.gz UMXWVMSHQCNNHQ-VIFPVBQESA-N 1 0 251.286 1.161 20 5 CDBDRO CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000611084616 346603024 /nfs/dbraw/zinc/60/30/24/346603024.db2.gz HJIWDLBYLJNMTM-LLVKDONJSA-N 1 0 264.329 1.829 20 5 CDBDRO NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000152837837 347622212 /nfs/dbraw/zinc/62/22/12/347622212.db2.gz NOLQJIRJLQMGNY-TXEJJXNPSA-N 1 0 289.335 1.926 20 5 CDBDRO C[C@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000054375096 347821577 /nfs/dbraw/zinc/82/15/77/347821577.db2.gz ONCSBVMOJCZIIB-JTQLQIEISA-N 1 0 272.308 1.941 20 5 CDBDRO C[C@@H]1C[C@H](Nc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1C ZINC000090794952 348157069 /nfs/dbraw/zinc/15/70/69/348157069.db2.gz DNLUGODZACHQSO-RKDXNWHRSA-N 1 0 253.306 1.223 20 5 CDBDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293676154 362916281 /nfs/dbraw/zinc/91/62/81/362916281.db2.gz JZXZOMKVOFNVOY-WCQGTBRESA-N 1 0 295.339 1.368 20 5 CDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000129321505 187423769 /nfs/dbraw/zinc/42/37/69/187423769.db2.gz LCYAPIWBBHCGMJ-NWDGAFQWSA-N 1 0 250.298 1.844 20 5 CDBDRO COC[C@@](C)([NH3+])CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000271288732 191051666 /nfs/dbraw/zinc/05/16/66/191051666.db2.gz HTPILMXWKWKALD-LBPRGKRZSA-N 1 0 253.302 1.679 20 5 CDBDRO CN1CCO[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000105471996 186059222 /nfs/dbraw/zinc/05/92/22/186059222.db2.gz QJTPHUUDLAFHES-LBPRGKRZSA-N 1 0 265.313 1.015 20 5 CDBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000105821518 186073928 /nfs/dbraw/zinc/07/39/28/186073928.db2.gz GUWJGRATUCMPAO-QWHCGFSZSA-N 1 0 293.367 1.482 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000109066707 186242007 /nfs/dbraw/zinc/24/20/07/186242007.db2.gz ZBIIFLBZIOFIKK-AOOOYVTPSA-N 1 0 263.297 1.417 20 5 CDBDRO Nc1c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000275776066 351292656 /nfs/dbraw/zinc/29/26/56/351292656.db2.gz PABRCZPHWGKUCC-BDAKNGLRSA-N 1 0 278.312 1.177 20 5 CDBDRO CC[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000124751108 351370201 /nfs/dbraw/zinc/37/02/01/351370201.db2.gz RGSSXGNRLXPZSA-LLVKDONJSA-N 1 0 254.286 1.464 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000156126961 351452057 /nfs/dbraw/zinc/45/20/57/351452057.db2.gz PGLXMFMDZSSXHP-UWVGGRQHSA-N 1 0 299.352 1.095 20 5 CDBDRO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000036794691 363050756 /nfs/dbraw/zinc/05/07/56/363050756.db2.gz KLJRZZLNOPBJSH-VHSXEESVSA-N 1 0 265.313 1.770 20 5 CDBDRO O=[N+]([O-])c1ccc(SCC[N@@H+]2CCCOCC2)nc1 ZINC000413001051 363054558 /nfs/dbraw/zinc/05/45/58/363054558.db2.gz PCDRYKOQWOWMCR-UHFFFAOYSA-N 1 0 283.353 1.804 20 5 CDBDRO CC1CCC(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000063145307 363153634 /nfs/dbraw/zinc/15/36/34/363153634.db2.gz GATSCXQUHFQACD-ORHYLEIMSA-N 1 0 296.371 1.568 20 5 CDBDRO O=[N+]([O-])c1cnc2ccccc2c1NC[C@H]1COCC[NH2+]1 ZINC000236411862 363158783 /nfs/dbraw/zinc/15/87/83/363158783.db2.gz PXPAUTIMRBQRNG-JTQLQIEISA-N 1 0 288.307 1.543 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000135214166 187807578 /nfs/dbraw/zinc/80/75/78/187807578.db2.gz WBIQPMXQTPZODW-NSHDSACASA-N 1 0 263.297 1.337 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000269308932 535212761 /nfs/dbraw/zinc/21/27/61/535212761.db2.gz ZYZVRZTVHOEZDV-JTQLQIEISA-N 1 0 280.328 1.106 20 5 CDBDRO CNC(=O)CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000154893314 188168394 /nfs/dbraw/zinc/16/83/94/188168394.db2.gz IHHKLKTVMSRVTN-UHFFFAOYSA-N 1 0 265.313 1.553 20 5 CDBDRO COc1cc(C(=O)N[C@@H](C[NH3+])CC(C)C)ccc1[N+](=O)[O-] ZINC000156719472 188277843 /nfs/dbraw/zinc/27/78/43/188277843.db2.gz XUGUVJUNLZDTCF-LLVKDONJSA-N 1 0 295.339 1.707 20 5 CDBDRO COc1cc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000156729728 188278168 /nfs/dbraw/zinc/27/81/68/188278168.db2.gz BXBMEKWOQITRPC-WDEREUQCSA-N 1 0 293.323 1.461 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000157564625 188325199 /nfs/dbraw/zinc/32/51/99/188325199.db2.gz SLWCQQACEGJFJD-ZWNOBZJWSA-N 1 0 293.323 1.217 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000160695737 188486641 /nfs/dbraw/zinc/48/66/41/188486641.db2.gz ATBXALDZKXDWLG-SNVBAGLBSA-N 1 0 295.364 1.751 20 5 CDBDRO Cc1ccc(C[NH2+][C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000034994442 355928798 /nfs/dbraw/zinc/92/87/98/355928798.db2.gz AWJQUYLPCHQJEA-NSHDSACASA-N 1 0 284.337 1.180 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000002039125 355958340 /nfs/dbraw/zinc/95/83/40/355958340.db2.gz KMRSAVQVMHWQBJ-UHFFFAOYSA-N 1 0 265.313 1.666 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](CO)C(C)(C)C ZINC000134396527 356235978 /nfs/dbraw/zinc/23/59/78/356235978.db2.gz FKMGECVTTZPLGU-JTQLQIEISA-N 1 0 270.333 1.130 20 5 CDBDRO CC[N@@H+]1CCN(c2ncc(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000286204285 356231378 /nfs/dbraw/zinc/23/13/78/356231378.db2.gz BYNYHTSRCUQBOO-LLVKDONJSA-N 1 0 264.329 1.829 20 5 CDBDRO COC[C@H](CCO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219224063 356239526 /nfs/dbraw/zinc/23/95/26/356239526.db2.gz CANOSDVNWXQDPK-PWSUYJOCSA-N 1 0 268.313 1.643 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000286460709 356434078 /nfs/dbraw/zinc/43/40/78/356434078.db2.gz PLRCTVZEUYFCIP-QMMMGPOBSA-N 1 0 291.311 1.606 20 5 CDBDRO COc1cccc(NCc2nccn2C)c1[N+](=O)[O-] ZINC000134918714 356525002 /nfs/dbraw/zinc/52/50/02/356525002.db2.gz XYODMHRMKKFUKO-UHFFFAOYSA-N 1 0 262.269 1.949 20 5 CDBDRO CNc1ccc(C(=O)N2CCC[C@H]([NH2+]C)C2)cc1[N+](=O)[O-] ZINC000578625369 356761808 /nfs/dbraw/zinc/76/18/08/356761808.db2.gz OYXVLTJXOZUXER-NSHDSACASA-N 1 0 292.339 1.461 20 5 CDBDRO [NH3+]C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000087383983 357288357 /nfs/dbraw/zinc/28/83/57/357288357.db2.gz JCPJJSUIUFXFTB-NSHDSACASA-N 1 0 264.285 1.454 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)cc1 ZINC000106379910 357242491 /nfs/dbraw/zinc/24/24/91/357242491.db2.gz NQIDTVLTRJBLSS-HNNXBMFYSA-N 1 0 291.351 1.548 20 5 CDBDRO CN(C[C@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000566118378 357396832 /nfs/dbraw/zinc/39/68/32/357396832.db2.gz UZTPPNVCBMEJDE-CQSZACIVSA-N 1 0 293.367 1.182 20 5 CDBDRO CCCC[N@H+](CCCO)CCn1cc([N+](=O)[O-])cn1 ZINC000182129331 357411080 /nfs/dbraw/zinc/41/10/80/357411080.db2.gz CNWCKZIZRJREHV-UHFFFAOYSA-N 1 0 270.333 1.276 20 5 CDBDRO CN(CCCN1CC[NH+](C)CC1)c1ncccc1[N+](=O)[O-] ZINC000264602092 357442456 /nfs/dbraw/zinc/44/24/56/357442456.db2.gz BZGJJLXNJGXEJK-UHFFFAOYSA-N 1 0 293.371 1.064 20 5 CDBDRO CCc1n[nH]c(C(=O)NC[C@H]2CCC[N@H+]2CC)c1[N+](=O)[O-] ZINC000264559729 357379271 /nfs/dbraw/zinc/37/92/71/357379271.db2.gz NCDHLMVINOROGH-SECBINFHSA-N 1 0 295.343 1.094 20 5 CDBDRO CCc1nn(C)c(N(C)CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000360915148 357742644 /nfs/dbraw/zinc/74/26/44/357742644.db2.gz VNDCMOLFFGJDCA-UHFFFAOYSA-N 1 0 281.360 1.423 20 5 CDBDRO O=C(NCC[NH2+]C1CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000135224897 357800617 /nfs/dbraw/zinc/80/06/17/357800617.db2.gz JEPYNJYHCBBITI-UHFFFAOYSA-N 1 0 267.260 1.216 20 5 CDBDRO C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294450984 199044224 /nfs/dbraw/zinc/04/42/24/199044224.db2.gz VQKGRJWQECOOFR-BLBZPCKPSA-N 1 0 285.369 1.595 20 5 CDBDRO Cc1c(CN2CCOC[C@@]23CCOC3)cccc1[N+](=O)[O-] ZINC000193722951 358319465 /nfs/dbraw/zinc/31/94/65/358319465.db2.gz HQWPFGPTWVZJBK-HNNXBMFYSA-N 1 0 292.335 1.895 20 5 CDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000287228196 358342330 /nfs/dbraw/zinc/34/23/30/358342330.db2.gz QOHMGUOTRRSVFY-ZJUUUORDSA-N 1 0 293.327 1.017 20 5 CDBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000294898488 199238283 /nfs/dbraw/zinc/23/82/83/199238283.db2.gz RJYYIXWTXUACLT-LLVKDONJSA-N 1 0 277.324 1.857 20 5 CDBDRO C[NH2+]C[C@H](C)Nc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000596033297 358655275 /nfs/dbraw/zinc/65/52/75/358655275.db2.gz SZVYVNHNAYHEPF-VIFPVBQESA-N 1 0 268.317 1.219 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433812946 358844795 /nfs/dbraw/zinc/84/47/95/358844795.db2.gz XTLYDUFCQFWDRE-NSHDSACASA-N 1 0 279.344 1.757 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([NH3+])[C@H]1C ZINC000381366246 359040142 /nfs/dbraw/zinc/04/01/42/359040142.db2.gz LKBQNQZWZSRBAY-GHMZBOCLSA-N 1 0 277.324 1.855 20 5 CDBDRO COC[C@](C)([NH3+])CNc1ccc([N+](=O)[O-])cc1F ZINC000265028219 358981357 /nfs/dbraw/zinc/98/13/57/358981357.db2.gz KJUWFJCRIZMXNL-LLVKDONJSA-N 1 0 257.265 1.510 20 5 CDBDRO CC[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1C[C@@H](C)O ZINC000105790763 358986927 /nfs/dbraw/zinc/98/69/27/358986927.db2.gz WQTZKFIWHRWIFD-VXGBXAGGSA-N 1 0 294.355 1.271 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](O)C1 ZINC000265072181 359095422 /nfs/dbraw/zinc/09/54/22/359095422.db2.gz WWXBNGOHZQIDFL-GFCCVEGCSA-N 1 0 293.323 1.298 20 5 CDBDRO CC(C)[N@H+](C)CCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000054128503 359159496 /nfs/dbraw/zinc/15/94/96/359159496.db2.gz KPJQFWCSUHNRBC-UHFFFAOYSA-N 1 0 280.328 1.446 20 5 CDBDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000570208763 359292927 /nfs/dbraw/zinc/29/29/27/359292927.db2.gz ZUNSEMYNNZYKBA-VXGBXAGGSA-N 1 0 252.270 1.098 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]2CO)cc1 ZINC000050116734 359309344 /nfs/dbraw/zinc/30/93/44/359309344.db2.gz AYPAKLVJPGEDHS-ZDUSSCGKSA-N 1 0 250.298 1.594 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000130319539 359375621 /nfs/dbraw/zinc/37/56/21/359375621.db2.gz PFRDWDWHJUPDDF-LLVKDONJSA-N 1 0 265.313 1.842 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH3+])C1 ZINC000050242854 359407969 /nfs/dbraw/zinc/40/79/69/359407969.db2.gz UTWXDYBFSMAKPX-JTQLQIEISA-N 1 0 251.286 1.136 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000044540706 283458756 /nfs/dbraw/zinc/45/87/56/283458756.db2.gz GUHGNXDDIMFHFF-VIFPVBQESA-N 1 0 269.326 1.610 20 5 CDBDRO CC[C@H](C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])OC ZINC000289675860 359664558 /nfs/dbraw/zinc/66/45/58/359664558.db2.gz CCVHIASWARDNIS-SNVBAGLBSA-N 1 0 284.312 1.824 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000571921756 359676575 /nfs/dbraw/zinc/67/65/75/359676575.db2.gz BSIYPCOZIMCFHJ-WDEREUQCSA-N 1 0 279.340 1.769 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H]1C[C@@H](O)C1)C2 ZINC000571990565 359704938 /nfs/dbraw/zinc/70/49/38/359704938.db2.gz RQJPMRRIPJVSRT-KLPPZKSPSA-N 1 0 262.309 1.724 20 5 CDBDRO COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000351794658 359835547 /nfs/dbraw/zinc/83/55/47/359835547.db2.gz FGKOJNBXVLNQLB-SKDRFNHKSA-N 1 0 266.297 1.416 20 5 CDBDRO COc1ccc(C[N@@H+]2CC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000051887782 359949554 /nfs/dbraw/zinc/94/95/54/359949554.db2.gz TWLOKDICSYTTJJ-NSHDSACASA-N 1 0 266.297 1.418 20 5 CDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCC[C@H]1CCC[NH2+]1 ZINC000166727571 360239450 /nfs/dbraw/zinc/23/94/50/360239450.db2.gz ACCCDVMGZRLVJF-KTRBRXNASA-N 1 0 289.335 1.866 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000382408664 360292422 /nfs/dbraw/zinc/29/24/22/360292422.db2.gz CKLLNEOOMYOSOT-UWVGGRQHSA-N 1 0 250.302 1.980 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CC[C@@H](O)C2)cc1 ZINC000227700427 360599327 /nfs/dbraw/zinc/59/93/27/360599327.db2.gz RUONPKQBIRBNBK-TZMCWYRMSA-N 1 0 264.325 1.888 20 5 CDBDRO C[C@@H]([NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000178341893 189108626 /nfs/dbraw/zinc/10/86/26/189108626.db2.gz AVTPOZPRUAIYQJ-VCTAVGKDSA-N 1 0 294.351 1.767 20 5 CDBDRO Cc1cc(NC[C@@]2(O)CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000358356438 360976830 /nfs/dbraw/zinc/97/68/30/360976830.db2.gz REYWWDIGBCRWRL-ZDUSSCGKSA-N 1 0 265.313 1.382 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000168703440 361392687 /nfs/dbraw/zinc/39/26/87/361392687.db2.gz WLHPUYVRHUBWLC-QWRGUYRKSA-N 1 0 277.324 1.713 20 5 CDBDRO COc1ccc(C(=O)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000053253260 361402889 /nfs/dbraw/zinc/40/28/89/361402889.db2.gz ADXQZHNKEVSFGG-SNVBAGLBSA-N 1 0 279.296 1.085 20 5 CDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)C[C@H]12 ZINC000248620838 361695465 /nfs/dbraw/zinc/69/54/65/361695465.db2.gz MXGIGUHEKRLOLO-UJNFCWOMSA-N 1 0 281.337 1.466 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nc1 ZINC000581479285 363995244 /nfs/dbraw/zinc/99/52/44/363995244.db2.gz PAWSQYJKCCVNNH-GHMZBOCLSA-N 1 0 277.328 1.211 20 5 CDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 ZINC000582504432 364101655 /nfs/dbraw/zinc/10/16/55/364101655.db2.gz DNXICWKIBQSRIG-ZDUSSCGKSA-N 1 0 278.312 1.091 20 5 CDBDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000038013913 364237692 /nfs/dbraw/zinc/23/76/92/364237692.db2.gz OZSVZQIRVGUUQE-LLVKDONJSA-N 1 0 279.340 1.989 20 5 CDBDRO CC1(C)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000175410609 364405596 /nfs/dbraw/zinc/40/55/96/364405596.db2.gz POLAEDLUNZDUPA-UHFFFAOYSA-N 1 0 277.324 1.348 20 5 CDBDRO CCOC(=O)c1cc(N(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000268178632 364423029 /nfs/dbraw/zinc/42/30/29/364423029.db2.gz KSHGMYDVXWLFLH-UHFFFAOYSA-N 1 0 295.339 1.769 20 5 CDBDRO C[NH2+]CCCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000121386230 364760102 /nfs/dbraw/zinc/76/01/02/364760102.db2.gz CSYOOTMOAWTFIA-UHFFFAOYSA-N 1 0 281.312 1.089 20 5 CDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)[C@@H]2C1 ZINC000272437751 365237986 /nfs/dbraw/zinc/23/79/86/365237986.db2.gz IFVOUKAZDJMLSK-GXSJLCMTSA-N 1 0 278.312 1.089 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000133694443 365413086 /nfs/dbraw/zinc/41/30/86/365413086.db2.gz KYOPXPMYNKSABV-SNVBAGLBSA-N 1 0 263.297 1.243 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000122099752 366888527 /nfs/dbraw/zinc/88/85/27/366888527.db2.gz XOJBEMWRINYHQA-AWEZNQCLSA-N 1 0 291.351 1.973 20 5 CDBDRO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000270966924 366949390 /nfs/dbraw/zinc/94/93/90/366949390.db2.gz VRHKHWBZTORJBG-CQSZACIVSA-N 1 0 289.335 1.792 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CC[NH3+] ZINC000414661368 241308597 /nfs/dbraw/zinc/30/85/97/241308597.db2.gz PVBKVIOCHCUUGV-VIFPVBQESA-N 1 0 266.301 1.762 20 5 CDBDRO Cc1cccc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000090321523 367030546 /nfs/dbraw/zinc/03/05/46/367030546.db2.gz PCMPFSLZEJMWOL-PHIMTYICSA-N 1 0 275.308 1.195 20 5 CDBDRO CC[C@H](C)[NH+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000295989324 370822613 /nfs/dbraw/zinc/82/26/13/370822613.db2.gz LVMWCUDQGOIHNN-JTQLQIEISA-N 1 0 279.344 1.614 20 5 CDBDRO O=[N+]([O-])c1ccc(CNC[C@H]2CCC[NH2+]2)c(F)c1 ZINC000414845467 367334932 /nfs/dbraw/zinc/33/49/32/367334932.db2.gz LZBIFUYFHZQPDB-SNVBAGLBSA-N 1 0 253.277 1.576 20 5 CDBDRO C[C@H](NC(=O)NCC1([NH3+])CCC1)c1cccc([N+](=O)[O-])c1 ZINC000417126461 242330108 /nfs/dbraw/zinc/33/01/08/242330108.db2.gz DMAFBWLSZYQMAH-JTQLQIEISA-N 1 0 292.339 1.836 20 5 CDBDRO CC1(C)CCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000388868329 367718051 /nfs/dbraw/zinc/71/80/51/367718051.db2.gz IDSDQABPIXUESZ-DGCLKSJQSA-N 1 0 296.371 1.568 20 5 CDBDRO CN(C(=O)c1c(N)cccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000272557684 367768550 /nfs/dbraw/zinc/76/85/50/367768550.db2.gz ZNIPJUPTTJBYAQ-UHFFFAOYSA-N 1 0 292.339 1.343 20 5 CDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000330582631 203000546 /nfs/dbraw/zinc/00/05/46/203000546.db2.gz KAZKGVDRCMWGIR-STQMWFEESA-N 1 0 293.367 1.998 20 5 CDBDRO O=C(NCCC[NH2+]C1CC1)c1csc([N+](=O)[O-])c1 ZINC000037563255 369081737 /nfs/dbraw/zinc/08/17/37/369081737.db2.gz NBLBARSGKNVPNK-UHFFFAOYSA-N 1 0 269.326 1.528 20 5 CDBDRO C[C@@]1(F)C[NH2+]CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000420323791 244084931 /nfs/dbraw/zinc/08/49/31/244084931.db2.gz BLYHXTOXEBLCCY-CQSZACIVSA-N 1 0 297.330 1.607 20 5 CDBDRO NC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000420355219 244133232 /nfs/dbraw/zinc/13/32/32/244133232.db2.gz BWLFTOWZSBXOAC-ZDUSSCGKSA-N 1 0 281.360 1.289 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000330906798 203378308 /nfs/dbraw/zinc/37/83/08/203378308.db2.gz NOGQNNIYBHVNRB-ZYHUDNBSSA-N 1 0 277.324 1.807 20 5 CDBDRO CCN(CCC[NH+](C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000276255801 193258294 /nfs/dbraw/zinc/25/82/94/193258294.db2.gz RAHJNENFIMDRNU-UHFFFAOYSA-N 1 0 293.367 1.938 20 5 CDBDRO CCCN(CCC[NH+](C)C)c1ncc([N+](=O)[O-])cn1 ZINC000276257722 193260457 /nfs/dbraw/zinc/26/04/57/193260457.db2.gz TUKTUWNTMQUBMC-UHFFFAOYSA-N 1 0 267.333 1.553 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000295363501 370047776 /nfs/dbraw/zinc/04/77/76/370047776.db2.gz ZQHAFOKVHMNIAY-SNVBAGLBSA-N 1 0 297.380 1.931 20 5 CDBDRO C[NH2+]C[C@@H](C)CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000414831721 370477403 /nfs/dbraw/zinc/47/74/03/370477403.db2.gz DMSBSPJFYRCXIB-SNVBAGLBSA-N 1 0 297.355 1.557 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC[NH3+] ZINC000422702177 245160402 /nfs/dbraw/zinc/16/04/02/245160402.db2.gz DIXIARFANVQPAC-UHFFFAOYSA-N 1 0 251.286 1.290 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000422766851 245231039 /nfs/dbraw/zinc/23/10/39/245231039.db2.gz MJUHFGUMNVSXRI-NSHDSACASA-N 1 0 277.324 1.632 20 5 CDBDRO NC(=O)C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000367992585 371297912 /nfs/dbraw/zinc/29/79/12/371297912.db2.gz DNKTWYYRIWBADL-LLVKDONJSA-N 1 0 263.297 1.292 20 5 CDBDRO CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1[C@@H]1CCCO1 ZINC000368073290 371507024 /nfs/dbraw/zinc/50/70/24/371507024.db2.gz KZUAHTBWFLRMDF-WCQYABFASA-N 1 0 294.355 1.681 20 5 CDBDRO Cc1cnc(N2CCN(C[C@@H](C)O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000266248298 371742575 /nfs/dbraw/zinc/74/25/75/371742575.db2.gz ZLKNPHZDGHYKME-VXGBXAGGSA-N 1 0 294.355 1.190 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])s1)C1(C[NH3+])CCC1 ZINC000385333727 373020844 /nfs/dbraw/zinc/02/08/44/373020844.db2.gz QNKJCAVZOVVEAV-UHFFFAOYSA-N 1 0 269.326 1.610 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000423672207 245969197 /nfs/dbraw/zinc/96/91/97/245969197.db2.gz DGCTVTJRHMBOSB-RKDXNWHRSA-N 1 0 281.312 1.459 20 5 CDBDRO COC(=O)[C@H](C)C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065223061 374257511 /nfs/dbraw/zinc/25/75/11/374257511.db2.gz RONDMWFAZMJOSW-LLVKDONJSA-N 1 0 296.323 1.715 20 5 CDBDRO COc1ccc(CN2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000113516263 374260882 /nfs/dbraw/zinc/26/08/82/374260882.db2.gz RIQPXILEUVQFAY-ZDUSSCGKSA-N 1 0 293.367 1.987 20 5 CDBDRO Cc1nc(N2CCC[C@@H](C)[C@@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000420181143 374290986 /nfs/dbraw/zinc/29/09/86/374290986.db2.gz DRVDEORIJWZOLF-SCZZXKLOSA-N 1 0 265.317 1.257 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])[nH]1 ZINC000299002165 374294245 /nfs/dbraw/zinc/29/42/45/374294245.db2.gz JVZNTQJFZYBTDQ-MWLCHTKSSA-N 1 0 278.312 1.280 20 5 CDBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccc([N+](=O)[O-])o1 ZINC000368646691 374322389 /nfs/dbraw/zinc/32/23/89/374322389.db2.gz KFPFFFBQFSWJLE-VIFPVBQESA-N 1 0 265.269 1.060 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421776269 374332981 /nfs/dbraw/zinc/33/29/81/374332981.db2.gz ZTMZCYPGNBWVAX-UHFFFAOYSA-N 1 0 279.340 1.893 20 5 CDBDRO C[NH+]1CCC(NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000078968798 374365883 /nfs/dbraw/zinc/36/58/83/374365883.db2.gz HLIJBVAGCLWBFN-UHFFFAOYSA-N 1 0 293.323 1.184 20 5 CDBDRO [NH3+]CCC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423833810 246128242 /nfs/dbraw/zinc/12/82/42/246128242.db2.gz BTDJKNGYNLALDG-UHFFFAOYSA-N 1 0 257.677 1.213 20 5 CDBDRO C[NH2+]CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423197892 374372513 /nfs/dbraw/zinc/37/25/13/374372513.db2.gz BVEUUJVRBPIQCR-NEPJUHHUSA-N 1 0 281.360 1.474 20 5 CDBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000423815049 246111546 /nfs/dbraw/zinc/11/15/46/246111546.db2.gz VOWNSPSKQLMVDJ-OLZOCXBDSA-N 1 0 291.351 1.908 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](C)C[NH3+] ZINC000423460343 374383111 /nfs/dbraw/zinc/38/31/11/374383111.db2.gz RWWZQDXLVPVIBD-QMMMGPOBSA-N 1 0 265.313 1.536 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](C3CC3)C2)n1 ZINC000371309575 374414227 /nfs/dbraw/zinc/41/42/27/374414227.db2.gz YLPDGVXCYCKJDA-LLVKDONJSA-N 1 0 250.302 1.523 20 5 CDBDRO CN(CCC[NH+](C)C)Cc1ccccc1[N+](=O)[O-] ZINC000299144296 374438984 /nfs/dbraw/zinc/43/89/84/374438984.db2.gz VMELUYFWYWCSRY-UHFFFAOYSA-N 1 0 251.330 1.978 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424188938 246376994 /nfs/dbraw/zinc/37/69/94/246376994.db2.gz MILWYQJRDXACGZ-LBPRGKRZSA-N 1 0 291.351 1.861 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000070149037 374651096 /nfs/dbraw/zinc/65/10/96/374651096.db2.gz VSAOHIUKHAUJRS-JTQLQIEISA-N 1 0 280.328 1.277 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000070447040 374662792 /nfs/dbraw/zinc/66/27/92/374662792.db2.gz WWRCPDXUXZLWCY-NSHDSACASA-N 1 0 251.286 1.308 20 5 CDBDRO C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000154766824 374747310 /nfs/dbraw/zinc/74/73/10/374747310.db2.gz KBHOOURRFCDWEG-RNCFNFMXSA-N 1 0 283.303 1.865 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](CO)[C@@H]2CCCO2)c1 ZINC000447904369 374722295 /nfs/dbraw/zinc/72/22/95/374722295.db2.gz JWNHACYRUCMUPE-KBPBESRZSA-N 1 0 296.323 1.103 20 5 CDBDRO COC(=O)C(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000093715701 374779549 /nfs/dbraw/zinc/77/95/49/374779549.db2.gz UYZNCGVUDWNAQY-UHFFFAOYSA-N 1 0 266.297 1.884 20 5 CDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000330571927 374865961 /nfs/dbraw/zinc/86/59/61/374865961.db2.gz DFQQCMJQDHVNAP-RYUDHWBXSA-N 1 0 291.351 1.688 20 5 CDBDRO O=[N+]([O-])c1ccc(CNC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000037894575 374929327 /nfs/dbraw/zinc/92/93/27/374929327.db2.gz IEYAXOITUDCWPS-AWEZNQCLSA-N 1 0 279.340 1.141 20 5 CDBDRO C[C@]1(C(N)=O)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000280490638 374998935 /nfs/dbraw/zinc/99/89/35/374998935.db2.gz BFUZUXZLXALRMR-AWEZNQCLSA-N 1 0 293.323 1.171 20 5 CDBDRO CNC(=O)[C@]1(C)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000280677921 375012575 /nfs/dbraw/zinc/01/25/75/375012575.db2.gz FPNPTCDRFCKOBT-OAHLLOKOSA-N 1 0 291.351 1.595 20 5 CDBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CCCC1 ZINC000332370767 375028378 /nfs/dbraw/zinc/02/83/78/375028378.db2.gz YVZODQZLQPLTGT-UHFFFAOYSA-N 1 0 280.328 1.527 20 5 CDBDRO CCN(Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCNC1=O ZINC000282208697 375071048 /nfs/dbraw/zinc/07/10/48/375071048.db2.gz DFTXVGBDKMZZPS-GFCCVEGCSA-N 1 0 293.323 1.314 20 5 CDBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CCN1CCOCC1 ZINC000282379676 375082676 /nfs/dbraw/zinc/08/26/76/375082676.db2.gz FWFDEGOPIRHWKZ-UHFFFAOYSA-N 1 0 293.367 1.401 20 5 CDBDRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283005991 375108589 /nfs/dbraw/zinc/10/85/89/375108589.db2.gz FZXFQZMFHGSYLR-PWSUYJOCSA-N 1 0 295.314 1.868 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCN2CC=CCC2)cc1 ZINC000392298555 375049754 /nfs/dbraw/zinc/04/97/54/375049754.db2.gz XRIALKFWSHEUKG-UHFFFAOYSA-N 1 0 261.325 1.946 20 5 CDBDRO C[C@H]([NH2+]Cc1cnn(C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284184760 375131672 /nfs/dbraw/zinc/13/16/72/375131672.db2.gz RDYBILKSXVAPSG-VIFPVBQESA-N 1 0 275.312 1.761 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000161934042 375223483 /nfs/dbraw/zinc/22/34/83/375223483.db2.gz SRKIGKKYWKOPFQ-VXGBXAGGSA-N 1 0 277.324 1.903 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000351865644 375336514 /nfs/dbraw/zinc/33/65/14/375336514.db2.gz ODEPWRMEOUVQMW-NXEZZACHSA-N 1 0 290.323 1.905 20 5 CDBDRO CC[N@@H+]1CC[C@@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000493331044 375444283 /nfs/dbraw/zinc/44/42/83/375444283.db2.gz FZYBADACXRTDNA-KTRBRXNASA-N 1 0 289.335 1.818 20 5 CDBDRO C[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000132328006 375454509 /nfs/dbraw/zinc/45/45/09/375454509.db2.gz AWUZRNJQCRRSEM-JTQLQIEISA-N 1 0 251.286 1.241 20 5 CDBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000352877933 375548078 /nfs/dbraw/zinc/54/80/78/375548078.db2.gz RBMBKEHHWDIVJZ-STQMWFEESA-N 1 0 296.371 1.807 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@](C)(O)C[NH+](C)C ZINC000132923705 375639518 /nfs/dbraw/zinc/63/95/18/375639518.db2.gz KGIZDVZLJUQOGJ-CYBMUJFWSA-N 1 0 267.329 1.628 20 5 CDBDRO CCC[N@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000188219931 375643303 /nfs/dbraw/zinc/64/33/03/375643303.db2.gz MYCFEXJSKLXUSX-UHFFFAOYSA-N 1 0 294.355 1.639 20 5 CDBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000354524796 375721080 /nfs/dbraw/zinc/72/10/80/375721080.db2.gz CMTSIESBRMEMNC-GFCCVEGCSA-N 1 0 295.343 1.154 20 5 CDBDRO Cc1ccc(NC(=O)[C@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000133730039 375818406 /nfs/dbraw/zinc/81/84/06/375818406.db2.gz HEMWTLFDZWCYDU-BDAKNGLRSA-N 1 0 251.286 1.825 20 5 CDBDRO O=C1CCCN1CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000405412521 375910445 /nfs/dbraw/zinc/91/04/45/375910445.db2.gz XSPVIEZWTLPDOM-UHFFFAOYSA-N 1 0 263.297 1.307 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357086955 375884370 /nfs/dbraw/zinc/88/43/70/375884370.db2.gz RWTLJLHVNAVZIV-LBPRGKRZSA-N 1 0 293.371 1.150 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000307909552 375896320 /nfs/dbraw/zinc/89/63/20/375896320.db2.gz FVLDYLCICLMDQD-LJLILKBBSA-N 1 0 289.335 1.865 20 5 CDBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC(=O)NC2)cccc1[N+](=O)[O-] ZINC000358132852 375953135 /nfs/dbraw/zinc/95/31/35/375953135.db2.gz OWPYFGKBHSKAEB-WDEREUQCSA-N 1 0 277.324 1.832 20 5 CDBDRO C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000358248955 375958241 /nfs/dbraw/zinc/95/82/41/375958241.db2.gz IQIJVDXEAHNOFK-VHSXEESVSA-N 1 0 286.353 1.679 20 5 CDBDRO C[NH+](C)CCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000134221662 375938106 /nfs/dbraw/zinc/93/81/06/375938106.db2.gz PWWCDAUWTIOFGK-UHFFFAOYSA-N 1 0 292.339 1.843 20 5 CDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000261779903 190044295 /nfs/dbraw/zinc/04/42/95/190044295.db2.gz TXGMXJQERCZUFH-NSHDSACASA-N 1 0 283.715 1.616 20 5 CDBDRO C[NH2+]CCCC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000429706029 247515815 /nfs/dbraw/zinc/51/58/15/247515815.db2.gz UYSFSZKUDDFZGK-UHFFFAOYSA-N 1 0 280.328 1.123 20 5 CDBDRO CCC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000267087139 377051418 /nfs/dbraw/zinc/05/14/18/377051418.db2.gz OULJNRRLDWBOHE-UHFFFAOYSA-N 1 0 252.318 1.913 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000189300715 377227077 /nfs/dbraw/zinc/22/70/77/377227077.db2.gz LRNMVFBQJNNGAR-ZYHUDNBSSA-N 1 0 277.324 1.394 20 5 CDBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](OCCO)C2)c1 ZINC000172296689 377432109 /nfs/dbraw/zinc/43/21/09/377432109.db2.gz AOUXRIIYFGITPY-CQSZACIVSA-N 1 0 280.324 1.568 20 5 CDBDRO Cc1cc(N2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000040444199 378074790 /nfs/dbraw/zinc/07/47/90/378074790.db2.gz NDZKSLMDYZASTB-UHFFFAOYSA-N 1 0 265.313 1.018 20 5 CDBDRO C[C@H]([NH2+]CCN1C(=O)CCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000173415410 378355721 /nfs/dbraw/zinc/35/57/21/378355721.db2.gz MYSMLNJEUXMIBR-JTQLQIEISA-N 1 0 291.307 1.394 20 5 CDBDRO CC[N@H+](CCNC(=O)Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000173504583 378493919 /nfs/dbraw/zinc/49/39/19/378493919.db2.gz ZTOSTCWOZIVPGC-UHFFFAOYSA-N 1 0 291.351 1.738 20 5 CDBDRO COc1ccc(OCCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000173504744 378495481 /nfs/dbraw/zinc/49/54/81/378495481.db2.gz DQLJLPNILPUSMK-UHFFFAOYSA-N 1 0 295.339 1.230 20 5 CDBDRO COCC[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000447074911 250337968 /nfs/dbraw/zinc/33/79/68/250337968.db2.gz IJXBFQBMWGDDHA-CQSZACIVSA-N 1 0 280.324 1.880 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@]1(O)CC[NH2+]C1 ZINC001580874554 1172557367 /nfs/dbraw/zinc/55/73/67/1172557367.db2.gz BBVDHULVTMBAAP-LLVKDONJSA-N 1 0 271.704 1.385 20 5 CDBDRO CCOC[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174862670 379597018 /nfs/dbraw/zinc/59/70/18/379597018.db2.gz DOYMCMBDLLRTES-LBPRGKRZSA-N 1 0 282.344 1.540 20 5 CDBDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000449722689 250986594 /nfs/dbraw/zinc/98/65/94/250986594.db2.gz WBBSLWUSUOHTKE-CHWSQXEVSA-N 1 0 266.297 1.488 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2COCCO2)C2CC2)cc1 ZINC000450651121 251390226 /nfs/dbraw/zinc/39/02/26/251390226.db2.gz RQQKQFFLWTWFEL-OAHLLOKOSA-N 1 0 292.335 1.975 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[NH2+]C2)c1 ZINC000273060891 533008860 /nfs/dbraw/zinc/00/88/60/533008860.db2.gz SRCPHPDLYOKHDZ-VIFPVBQESA-N 1 0 295.364 1.656 20 5 CDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCC[NH+]1CCC1 ZINC000492240961 253180850 /nfs/dbraw/zinc/18/08/50/253180850.db2.gz ZBXDNTSNJZBQJY-AATRIKPKSA-N 1 0 275.308 1.430 20 5 CDBDRO CN(CC[NH3+])C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493684715 253526864 /nfs/dbraw/zinc/52/68/64/253526864.db2.gz KBMOKWAHLIOWBX-HWKANZROSA-N 1 0 267.260 1.164 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289286150 197284428 /nfs/dbraw/zinc/28/44/28/197284428.db2.gz QPEKWTYAVXUIDL-CYBMUJFWSA-N 1 0 295.364 1.872 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NCCC[N@@H+](C)CCN(C)C ZINC000289128926 197241984 /nfs/dbraw/zinc/24/19/84/197241984.db2.gz RIQNOAAAICEHHS-UHFFFAOYSA-N 1 0 295.387 1.594 20 5 CDBDRO COCCOCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000289031623 197219032 /nfs/dbraw/zinc/21/90/32/197219032.db2.gz OVIJHPKKKYUOLP-UHFFFAOYSA-N 1 0 282.340 1.998 20 5 CDBDRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000288607671 197126118 /nfs/dbraw/zinc/12/61/18/197126118.db2.gz OUWBARWCPWFMJD-JTQLQIEISA-N 1 0 295.295 1.122 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000320479716 390466252 /nfs/dbraw/zinc/46/62/52/390466252.db2.gz GTESQXMQOAPXLV-BDAKNGLRSA-N 1 0 251.286 1.450 20 5 CDBDRO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551348 390629922 /nfs/dbraw/zinc/62/99/22/390629922.db2.gz UKTFPVSGVHPRQU-JQWIXIFHSA-N 1 0 277.324 1.648 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000338690397 390666261 /nfs/dbraw/zinc/66/62/61/390666261.db2.gz UKICRGPVEXOXDN-JTQLQIEISA-N 1 0 292.339 1.082 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000517330973 390973693 /nfs/dbraw/zinc/97/36/93/390973693.db2.gz PKGKULCIGQUXHU-GFCCVEGCSA-N 1 0 292.339 1.983 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366401681 391157368 /nfs/dbraw/zinc/15/73/68/391157368.db2.gz LXGMKGUJPDINAH-FTYKPCCVSA-N 1 0 262.309 1.826 20 5 CDBDRO CC(C)N(CC[NH+](C)C)c1ncc([N+](=O)[O-])cc1F ZINC000413242286 391185667 /nfs/dbraw/zinc/18/56/67/391185667.db2.gz XJTRETXMMAKMQL-UHFFFAOYSA-N 1 0 270.308 1.905 20 5 CDBDRO O=[N+]([O-])c1ccc2ccnc(NCCCOCCO)c2c1 ZINC000413252320 391186518 /nfs/dbraw/zinc/18/65/18/391186518.db2.gz YWBDVMXVEVVQIQ-UHFFFAOYSA-N 1 0 291.307 1.376 20 5 CDBDRO O=[N+]([O-])c1ccc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(F)c1 ZINC000415048982 391249878 /nfs/dbraw/zinc/24/98/78/391249878.db2.gz ZYAPXZRTUKSHSA-IAZYJMLFSA-N 1 0 251.261 1.041 20 5 CDBDRO COC[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088608102 391442839 /nfs/dbraw/zinc/44/28/39/391442839.db2.gz DCSUMUCBRBKZOH-JTQLQIEISA-N 1 0 250.298 1.988 20 5 CDBDRO C[NH+](C)[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000152149633 391488506 /nfs/dbraw/zinc/48/85/06/391488506.db2.gz UQLVHTNWFDMQLH-GFCCVEGCSA-N 1 0 295.314 1.439 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000186732938 391488526 /nfs/dbraw/zinc/48/85/26/391488526.db2.gz WTBDOCCTDMKCNA-UHFFFAOYSA-N 1 0 292.339 1.343 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000415478188 391466389 /nfs/dbraw/zinc/46/63/89/391466389.db2.gz CRIIBNCRDITRCY-JTQLQIEISA-N 1 0 278.312 1.695 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415633315 391470509 /nfs/dbraw/zinc/47/05/09/391470509.db2.gz QJSQVBWCAHTVPX-QMMMGPOBSA-N 1 0 284.291 1.711 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH3+])C1 ZINC000415763578 391471300 /nfs/dbraw/zinc/47/13/00/391471300.db2.gz OEYQRRKPZPSVIX-JTQLQIEISA-N 1 0 278.312 1.722 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000415733193 391471454 /nfs/dbraw/zinc/47/14/54/391471454.db2.gz AXYRDDHGKKLGMM-JTQLQIEISA-N 1 0 278.312 1.641 20 5 CDBDRO Cc1c(CNC(=O)C2(C)C[NH2+]C2)cccc1[N+](=O)[O-] ZINC000399210144 391668684 /nfs/dbraw/zinc/66/86/84/391668684.db2.gz QYIKDDGMMAIEJJ-UHFFFAOYSA-N 1 0 263.297 1.129 20 5 CDBDRO Cc1ccc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000189303200 129949172 /nfs/dbraw/zinc/94/91/72/129949172.db2.gz RFRQFVZFRTUKKO-JQWIXIFHSA-N 1 0 277.324 1.774 20 5 CDBDRO CC[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304346213 130087987 /nfs/dbraw/zinc/08/79/87/130087987.db2.gz QJDXIJPGNHCMEH-AAEUAGOBSA-N 1 0 282.344 1.274 20 5 CDBDRO Cc1c(C[N@@H+](C)C2(CO)CCOCC2)cccc1[N+](=O)[O-] ZINC000190986895 130170143 /nfs/dbraw/zinc/17/01/43/130170143.db2.gz MIKNGSKSGSDDDY-UHFFFAOYSA-N 1 0 294.351 1.877 20 5 CDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000181555254 391827948 /nfs/dbraw/zinc/82/79/48/391827948.db2.gz SQSYSERCYFNUMF-LLVKDONJSA-N 1 0 266.297 1.429 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000193556270 130632094 /nfs/dbraw/zinc/63/20/94/130632094.db2.gz FQPAUXUFENSHLZ-QWRGUYRKSA-N 1 0 292.339 1.263 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000237314069 131022947 /nfs/dbraw/zinc/02/29/47/131022947.db2.gz OGFRVSOAFLYTMP-SNVBAGLBSA-N 1 0 292.339 1.249 20 5 CDBDRO [NH3+][C@H]1CC[C@@H](C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000237933779 131066227 /nfs/dbraw/zinc/06/62/27/131066227.db2.gz YUIFVQSBFFIQCH-NEPJUHHUSA-N 1 0 277.324 1.381 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261593274 131155225 /nfs/dbraw/zinc/15/52/25/131155225.db2.gz MWLOHVOZAXXTQH-DTWKUNHWSA-N 1 0 281.337 1.480 20 5 CDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261723068 131164447 /nfs/dbraw/zinc/16/44/47/131164447.db2.gz QGSDJGUMFBORCX-SKDRFNHKSA-N 1 0 293.298 1.558 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261756994 131166953 /nfs/dbraw/zinc/16/69/53/131166953.db2.gz UOCORELXBLAEEB-FZMZJTMJSA-N 1 0 289.335 1.727 20 5 CDBDRO CCc1ccc(C(=O)NC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000262502701 131226727 /nfs/dbraw/zinc/22/67/27/131226727.db2.gz IJEIGMXCSJTQGM-UHFFFAOYSA-N 1 0 265.313 1.624 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000262710742 131254311 /nfs/dbraw/zinc/25/43/11/131254311.db2.gz CMVWWTRUMCQKRG-GXFFZTMASA-N 1 0 277.324 1.252 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000262758359 131258467 /nfs/dbraw/zinc/25/84/67/131258467.db2.gz HZQOJNTXCLACHV-MNOVXSKESA-N 1 0 293.323 1.182 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000262786756 131261533 /nfs/dbraw/zinc/26/15/33/131261533.db2.gz MMJOEVBFHPMKSC-GHMZBOCLSA-N 1 0 277.324 1.346 20 5 CDBDRO COC[C@@](C)([NH3+])CNc1nccc(C)c1[N+](=O)[O-] ZINC000265163372 131556424 /nfs/dbraw/zinc/55/64/24/131556424.db2.gz FNIMILOKPCFAIH-NSHDSACASA-N 1 0 254.290 1.074 20 5 CDBDRO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000442972409 392512032 /nfs/dbraw/zinc/51/20/32/392512032.db2.gz ZRWJUBCEBSNAGU-HZRUHFOJSA-N 1 0 289.335 1.818 20 5 CDBDRO CCOC(=O)c1cc(NCC(C)(C)[NH3+])ccc1[N+](=O)[O-] ZINC000420194626 392903794 /nfs/dbraw/zinc/90/37/94/392903794.db2.gz FQHUWHMETQJPBS-UHFFFAOYSA-N 1 0 281.312 1.921 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000421699048 392942861 /nfs/dbraw/zinc/94/28/61/392942861.db2.gz ADUQNRYKSMQSPX-LLVKDONJSA-N 1 0 277.324 1.761 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[NH3+] ZINC000422692894 392957349 /nfs/dbraw/zinc/95/73/49/392957349.db2.gz KXSWYMGJJDCLFQ-UHFFFAOYSA-N 1 0 251.286 1.209 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)C2(C)C[NH2+]C2)cc1[N+](=O)[O-] ZINC000423285848 392961010 /nfs/dbraw/zinc/96/10/10/392961010.db2.gz YVZORJNTAGBKCT-JTQLQIEISA-N 1 0 277.324 1.690 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423689851 392967110 /nfs/dbraw/zinc/96/71/10/392967110.db2.gz ZRWUHBIFAUIAKG-SECBINFHSA-N 1 0 288.307 1.610 20 5 CDBDRO O=[N+]([O-])c1ccn(CCN2CCC([NH2+]CC3CC3)CC2)n1 ZINC000430585540 393100515 /nfs/dbraw/zinc/10/05/15/393100515.db2.gz QPMIPPQSCRDZAI-UHFFFAOYSA-N 1 0 293.371 1.255 20 5 CDBDRO C[NH2+][C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000430606104 393102444 /nfs/dbraw/zinc/10/24/44/393102444.db2.gz UFGKBJJZAOGDKN-NSHDSACASA-N 1 0 292.339 1.135 20 5 CDBDRO COC[C@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])OC ZINC000449234812 393131519 /nfs/dbraw/zinc/13/15/19/393131519.db2.gz RHJVRBTWFLCFQH-YPMHNXCESA-N 1 0 282.340 1.777 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449668681 393137630 /nfs/dbraw/zinc/13/76/30/393137630.db2.gz WUQGQHUWGXQKKU-LLVKDONJSA-N 1 0 299.277 1.251 20 5 CDBDRO COCC(C)(C)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000494178700 393228818 /nfs/dbraw/zinc/22/88/18/393228818.db2.gz HBNKHTRMCATHCU-UHFFFAOYSA-N 1 0 256.306 1.054 20 5 CDBDRO COc1cccc(C(=O)NC[C@@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000195442040 393215460 /nfs/dbraw/zinc/21/54/60/393215460.db2.gz DBZQAUKUYCCCMR-JTQLQIEISA-N 1 0 293.323 1.285 20 5 CDBDRO C[C@H]([NH2+]C[C@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000224438047 140174402 /nfs/dbraw/zinc/17/44/02/140174402.db2.gz FUQKFXSTJKVODL-XVKPBYJWSA-N 1 0 260.240 1.871 20 5 CDBDRO CC[NH2+]CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000236914031 285590868 /nfs/dbraw/zinc/59/08/68/285590868.db2.gz BCKZIXFEKBYFLP-UHFFFAOYSA-N 1 0 283.353 1.413 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC([C@@H]3CCCO3)CC2)c1 ZINC000189119563 140108570 /nfs/dbraw/zinc/10/85/70/140108570.db2.gz BLAIBDOLCLUGFZ-AWEZNQCLSA-N 1 0 294.355 1.682 20 5 CDBDRO COCC[NH2+]CCNc1ccc([N+](=O)[O-])cc1F ZINC000215506399 140162164 /nfs/dbraw/zinc/16/21/64/140162164.db2.gz HUIMSHRQDYFHPR-UHFFFAOYSA-N 1 0 257.265 1.382 20 5 CDBDRO C[NH+](C)CCOCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000226738120 140180878 /nfs/dbraw/zinc/18/08/78/140180878.db2.gz XEMWMMVXLZQYTC-UHFFFAOYSA-N 1 0 289.282 1.863 20 5 CDBDRO Cn1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000230880884 140214858 /nfs/dbraw/zinc/21/48/58/140214858.db2.gz UWADGLSOIIQLDL-UHFFFAOYSA-N 1 0 260.297 1.661 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235435390 140236121 /nfs/dbraw/zinc/23/61/21/140236121.db2.gz FYIQQIYCFYPXKY-MWLCHTKSSA-N 1 0 278.312 1.857 20 5 CDBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000249529657 140295384 /nfs/dbraw/zinc/29/53/84/140295384.db2.gz ZVEBGXDEZJUREW-STQMWFEESA-N 1 0 293.367 1.482 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1NC[C@H]1C[NH2+]CCO1 ZINC000261557954 140347631 /nfs/dbraw/zinc/34/76/31/140347631.db2.gz CXKUXZMKAYARAF-MRVPVSSYSA-N 1 0 255.249 1.134 20 5 CDBDRO COc1ccc(CN2C[C@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000261568018 140349972 /nfs/dbraw/zinc/34/99/72/140349972.db2.gz JICAAVPNCFGMJX-GXSJLCMTSA-N 1 0 265.313 1.382 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[C@@H]1CC[NH2+]C1 ZINC000261580154 140355142 /nfs/dbraw/zinc/35/51/42/140355142.db2.gz FFQKDPNDXILXFY-JTQLQIEISA-N 1 0 267.333 1.531 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)cc1[N+](=O)[O-] ZINC000261633340 140366813 /nfs/dbraw/zinc/36/68/13/140366813.db2.gz WHMZPPJBJYXEQS-KOLCDFICSA-N 1 0 263.297 1.465 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000261669609 140373185 /nfs/dbraw/zinc/37/31/85/140373185.db2.gz FVNMRONNHZOTCZ-KOLCDFICSA-N 1 0 299.352 1.013 20 5 CDBDRO COc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000261779081 140389214 /nfs/dbraw/zinc/38/92/14/140389214.db2.gz WUDYBSRCBDMLKJ-NXEZZACHSA-N 1 0 295.314 1.788 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261798975 140390126 /nfs/dbraw/zinc/39/01/26/140390126.db2.gz YNIWJGJDSLXOJZ-ZWNOBZJWSA-N 1 0 290.323 1.811 20 5 CDBDRO Cc1cc(NCC(=O)N(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228460610 397708102 /nfs/dbraw/zinc/70/81/02/397708102.db2.gz JWHWILRFYKVGMA-UHFFFAOYSA-N 1 0 288.307 1.952 20 5 CDBDRO CO[C@]1(C)C[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000176286865 148033984 /nfs/dbraw/zinc/03/39/84/148033984.db2.gz LACHCSMGLCKJRI-BXUZGUMPSA-N 1 0 296.371 1.927 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]([NH3+])CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000312516810 149232919 /nfs/dbraw/zinc/23/29/19/149232919.db2.gz SUSGZKKKFNBRSK-XCBNKYQSSA-N 1 0 287.266 1.755 20 5 CDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@H]1O ZINC000352658901 155327584 /nfs/dbraw/zinc/32/75/84/155327584.db2.gz KWGFSHSNTMVXFP-UONOGXRCSA-N 1 0 280.324 1.819 20 5 CDBDRO [NH3+][C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000346630399 153250596 /nfs/dbraw/zinc/25/05/96/153250596.db2.gz BYCSZGIRPSIFOQ-SECBINFHSA-N 1 0 287.266 1.729 20 5 CDBDRO COc1cc(CN2CCC([NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000346646829 153255741 /nfs/dbraw/zinc/25/57/41/153255741.db2.gz MXDJDGLYDUHVIF-UHFFFAOYSA-N 1 0 295.339 1.535 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H](CO)O2)cc1[N+](=O)[O-] ZINC000353709912 156031773 /nfs/dbraw/zinc/03/17/73/156031773.db2.gz SQWBABMWSRBSQI-STQMWFEESA-N 1 0 280.324 1.533 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CC[C@@H](CO)O1 ZINC000353715132 156035677 /nfs/dbraw/zinc/03/56/77/156035677.db2.gz XHBZREVZCUJCEI-RYUDHWBXSA-N 1 0 266.297 1.224 20 5 CDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000354005506 156220080 /nfs/dbraw/zinc/22/00/80/156220080.db2.gz HAFALSKSKKVUMG-JTQLQIEISA-N 1 0 295.314 1.900 20 5 CDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000359195282 158158239 /nfs/dbraw/zinc/15/82/39/158158239.db2.gz KFMSBJPKKGVQNZ-SECBINFHSA-N 1 0 267.285 1.402 20 5 CDBDRO CCC[N@H+](C)CC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000359285872 158199181 /nfs/dbraw/zinc/19/91/81/158199181.db2.gz IQBBVWUXRZOORC-UHFFFAOYSA-N 1 0 295.339 1.561 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359319687 158213494 /nfs/dbraw/zinc/21/34/94/158213494.db2.gz ZZUUFWQXPKUPQB-NXEZZACHSA-N 1 0 265.288 1.385 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359319686 158213631 /nfs/dbraw/zinc/21/36/31/158213631.db2.gz ZZUUFWQXPKUPQB-AOOOYVTPSA-N 1 0 265.288 1.385 20 5 CDBDRO CCO[C@@H]1COCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000362015811 159039454 /nfs/dbraw/zinc/03/94/54/159039454.db2.gz OUMPYWYVYJXEQT-HUUCEWRRSA-N 1 0 294.351 1.921 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+](CCO)CC2CCCCC2)n1 ZINC000362594736 159190144 /nfs/dbraw/zinc/19/01/44/159190144.db2.gz WJKGZPVNUHRHLR-UHFFFAOYSA-N 1 0 296.371 1.666 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])o1 ZINC000363007619 159289342 /nfs/dbraw/zinc/28/93/42/159289342.db2.gz LLCDZANLYLKSAE-VHSXEESVSA-N 1 0 279.296 1.544 20 5 CDBDRO CCc1nn(C)c(N2CCC[C@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000373034516 160167255 /nfs/dbraw/zinc/16/72/55/160167255.db2.gz ZQKSBZJMHUKQBF-NSHDSACASA-N 1 0 295.387 1.811 20 5 CDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1C[C@@]12CC[NH2+]C2 ZINC000373440550 160200933 /nfs/dbraw/zinc/20/09/33/160200933.db2.gz OETYYIOPFMVPGF-BXUZGUMPSA-N 1 0 275.308 1.211 20 5 CDBDRO CN(C)C(=O)CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285317680 196249827 /nfs/dbraw/zinc/24/98/27/196249827.db2.gz MQBMHVNIRAQVHD-UHFFFAOYSA-N 1 0 279.340 1.547 20 5 CDBDRO CC(C)OC[C@@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285300637 196245728 /nfs/dbraw/zinc/24/57/28/196245728.db2.gz LDENPWLUBFDKOZ-AWEZNQCLSA-N 1 0 296.367 1.855 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCOC2)cc1 ZINC000038094237 174107560 /nfs/dbraw/zinc/10/75/60/174107560.db2.gz YDDNLGARLTZLIG-LBPRGKRZSA-N 1 0 250.298 1.763 20 5 CDBDRO Cc1ccc(C(=O)N2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000041028587 174453558 /nfs/dbraw/zinc/45/35/58/174453558.db2.gz NQPWEAYNNLNJIG-NSHDSACASA-N 1 0 263.297 1.467 20 5 CDBDRO Cc1cc(C(=O)NCC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000044503498 175186815 /nfs/dbraw/zinc/18/68/15/175186815.db2.gz GWUXHTRMJDQERD-UHFFFAOYSA-N 1 0 277.324 1.633 20 5 CDBDRO [NH3+]C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000044528178 175193175 /nfs/dbraw/zinc/19/31/75/175193175.db2.gz QUBSNHJWEBPJBC-SECBINFHSA-N 1 0 281.287 1.545 20 5 CDBDRO CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000071312585 176119106 /nfs/dbraw/zinc/11/91/06/176119106.db2.gz KZXWZTJCOOPRCR-NSHDSACASA-N 1 0 293.323 1.427 20 5 CDBDRO CCN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000071312453 176119390 /nfs/dbraw/zinc/11/93/90/176119390.db2.gz CPUCUELWCCTMOS-SECBINFHSA-N 1 0 269.326 1.480 20 5 CDBDRO CCNC(=O)C(C)(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000313076565 260243566 /nfs/dbraw/zinc/24/35/66/260243566.db2.gz PZZJMSRMLFRLSX-UHFFFAOYSA-N 1 0 279.340 1.642 20 5 CDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000525726821 262018900 /nfs/dbraw/zinc/01/89/00/262018900.db2.gz IKKWNHNZUSXZMJ-NSHDSACASA-N 1 0 294.355 1.490 20 5 CDBDRO COc1cc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c([N+](=O)[O-])cc1O ZINC000189338895 270276314 /nfs/dbraw/zinc/27/63/14/270276314.db2.gz DIWSEUCUDKLDRU-CHWSQXEVSA-N 1 0 296.323 1.558 20 5 CDBDRO C[C@]1(C[NH3+])CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000314827186 270326212 /nfs/dbraw/zinc/32/62/12/270326212.db2.gz RQLZDINVWGZWGU-NFBGWVBBSA-N 1 0 289.335 1.805 20 5 CDBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1C[NH3+] ZINC000397419690 270350119 /nfs/dbraw/zinc/35/01/19/270350119.db2.gz YWTOWMSKTRKLHE-UTLUCORTSA-N 1 0 281.312 1.633 20 5 CDBDRO O=c1c2ccc([N+](=O)[O-])cc2ncn1CC1CC[NH2+]CC1 ZINC000515057951 270424606 /nfs/dbraw/zinc/42/46/06/270424606.db2.gz ZWTINCUIJYZBBI-UHFFFAOYSA-N 1 0 288.307 1.304 20 5 CDBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000111828915 273519166 /nfs/dbraw/zinc/51/91/66/273519166.db2.gz WNNYFKKQWHUJJN-SECBINFHSA-N 1 0 268.317 1.037 20 5 CDBDRO C[C@@H]1CC[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000429571997 274317501 /nfs/dbraw/zinc/31/75/01/274317501.db2.gz YJKJPVNVICOMRJ-NEPJUHHUSA-N 1 0 279.340 1.877 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000237555436 274507146 /nfs/dbraw/zinc/50/71/46/274507146.db2.gz CATDVNVYWYIHEL-GXSJLCMTSA-N 1 0 292.339 1.519 20 5 CDBDRO Cc1nc(N2CC[C@H]([NH+]3CC=CC3)C2)ncc1[N+](=O)[O-] ZINC000297087985 274842560 /nfs/dbraw/zinc/84/25/60/274842560.db2.gz KHYUSQJVLYZSAB-NSHDSACASA-N 1 0 275.312 1.144 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000347341795 274962060 /nfs/dbraw/zinc/96/20/60/274962060.db2.gz PUZKADWDSALCLT-JTQLQIEISA-N 1 0 289.291 1.904 20 5 CDBDRO O=[N+]([O-])c1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)c2ccncc21 ZINC000107571407 275036929 /nfs/dbraw/zinc/03/69/29/275036929.db2.gz HOWIZPNXWCDRGG-PHIMTYICSA-N 1 0 284.319 1.799 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227076205 276722227 /nfs/dbraw/zinc/72/22/27/276722227.db2.gz XHTMESFHKMQWHK-WCBMZHEXSA-N 1 0 267.333 1.293 20 5 CDBDRO C[NH+](C)C1(CNc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000419011123 276772033 /nfs/dbraw/zinc/77/20/33/276772033.db2.gz RVYWYABQVBMIAC-UHFFFAOYSA-N 1 0 278.312 1.200 20 5 CDBDRO C[NH2+][C@H](C)Cc1noc(CCc2cccc([N+](=O)[O-])c2)n1 ZINC000261851121 277041635 /nfs/dbraw/zinc/04/16/35/277041635.db2.gz SUKIWNUDHUCFNJ-SNVBAGLBSA-N 1 0 290.323 1.913 20 5 CDBDRO C[NH2+][C@@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000133103119 277296365 /nfs/dbraw/zinc/29/63/65/277296365.db2.gz GOFWOMIHHHCGGO-SNVBAGLBSA-N 1 0 272.308 1.941 20 5 CDBDRO COc1cc(N2CCCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000111051248 277381582 /nfs/dbraw/zinc/38/15/82/277381582.db2.gz CVLRNXWQBFRQRU-NSHDSACASA-N 1 0 265.313 1.921 20 5 CDBDRO CC(C)c1ccc(CN(CC[NH3+])CCO)cc1[N+](=O)[O-] ZINC000414910646 278035308 /nfs/dbraw/zinc/03/53/08/278035308.db2.gz HVZVOEPRRDBKPK-UHFFFAOYSA-N 1 0 281.356 1.471 20 5 CDBDRO C[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000173483623 278270084 /nfs/dbraw/zinc/27/00/84/278270084.db2.gz ICTGMEZSUPCSEI-NSHDSACASA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1C[NH2+]C1 ZINC000262592551 279205092 /nfs/dbraw/zinc/20/50/92/279205092.db2.gz WLFVXAHRSQUJBQ-JTQLQIEISA-N 1 0 289.335 1.335 20 5 CDBDRO C[NH+](C)CCSCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000120232978 279380128 /nfs/dbraw/zinc/38/01/28/279380128.db2.gz JCVCJBULEXUXDK-UHFFFAOYSA-N 1 0 283.353 1.489 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000449304681 279382317 /nfs/dbraw/zinc/38/23/17/279382317.db2.gz PGROOFRSOMLKQM-NQBHXWOUSA-N 1 0 291.351 1.783 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CN)C1CC1 ZINC000423286176 279382848 /nfs/dbraw/zinc/38/28/48/279382848.db2.gz ZTSJUMKNSHMAGU-ZWNOBZJWSA-N 1 0 263.341 1.853 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000213321126 280087004 /nfs/dbraw/zinc/08/70/04/280087004.db2.gz LYQFSGUQMPFBIS-QDZRJHCZSA-N 1 0 275.308 1.462 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000216997393 280088026 /nfs/dbraw/zinc/08/80/26/280088026.db2.gz OGFNBVNFNWNYRV-KRZKBDHCSA-N 1 0 277.324 1.708 20 5 CDBDRO Cc1nc(N[C@@H](C)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000357548513 280181582 /nfs/dbraw/zinc/18/15/82/280181582.db2.gz NYRPDBABXXIMQG-JTQLQIEISA-N 1 0 266.345 1.861 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000238060431 280198180 /nfs/dbraw/zinc/19/81/80/280198180.db2.gz BGTLRSIEZJZEIJ-ZDUSSCGKSA-N 1 0 291.351 1.725 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](O)C1CCC1 ZINC000316569033 280630221 /nfs/dbraw/zinc/63/02/21/280630221.db2.gz LSRDNOYRWICIPD-ZDUSSCGKSA-N 1 0 250.298 1.845 20 5 CDBDRO Cc1nc(N2CCC[C@H](C)[C@@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000420181149 281926515 /nfs/dbraw/zinc/92/65/15/281926515.db2.gz DRVDEORIJWZOLF-WPRPVWTQSA-N 1 0 265.317 1.257 20 5 CDBDRO Cc1nc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000261610029 281936754 /nfs/dbraw/zinc/93/67/54/281936754.db2.gz SDXOHHSNFLPIFH-MNOVXSKESA-N 1 0 262.313 1.344 20 5 CDBDRO C[NH+](C)Cc1ccccc1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000551893381 290022453 /nfs/dbraw/zinc/02/24/53/290022453.db2.gz XISUWKCDFNESJQ-UHFFFAOYSA-N 1 0 289.295 1.632 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000563162476 293295673 /nfs/dbraw/zinc/29/56/73/293295673.db2.gz HJQSZHLJGJAXSV-NWDGAFQWSA-N 1 0 292.339 1.051 20 5 CDBDRO CC1(C)C[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000568384514 294025013 /nfs/dbraw/zinc/02/50/13/294025013.db2.gz KOQICGMEEGQNBD-GWCFXTLKSA-N 1 0 280.324 1.723 20 5 CDBDRO CC[C@H](O)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000568859098 294112193 /nfs/dbraw/zinc/11/21/93/294112193.db2.gz ABUWJKALQRCKJG-VIFPVBQESA-N 1 0 264.285 1.332 20 5 CDBDRO Cc1c(CC(=O)N(C)[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000571157866 294377862 /nfs/dbraw/zinc/37/78/62/294377862.db2.gz NTFOUSDNZCWYKY-GFCCVEGCSA-N 1 0 277.324 1.266 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000571443529 294438110 /nfs/dbraw/zinc/43/81/10/294438110.db2.gz FVMZEEXZCJUNEC-RKDXNWHRSA-N 1 0 281.312 1.459 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000574688449 295038694 /nfs/dbraw/zinc/03/86/94/295038694.db2.gz QGPPLRFBDRGJJR-GXTWGEPZSA-N 1 0 275.308 1.211 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435235857 295553413 /nfs/dbraw/zinc/55/34/13/295553413.db2.gz GGWOCCMWFAUHJP-AWEZNQCLSA-N 1 0 289.335 1.490 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418512536 298538675 /nfs/dbraw/zinc/53/86/75/298538675.db2.gz FTPSXFIHVYPWBE-SNVBAGLBSA-N 1 0 292.339 1.616 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000362446925 303019627 /nfs/dbraw/zinc/01/96/27/303019627.db2.gz IVDNAZICKNRTNR-QWRGUYRKSA-N 1 0 280.328 1.329 20 5 CDBDRO CNc1ccc(C(=O)N[C@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000576702222 317190154 /nfs/dbraw/zinc/19/01/54/317190154.db2.gz VJKTZUJABUVUJE-SECBINFHSA-N 1 0 280.328 1.494 20 5 CDBDRO CCc1nn(C)c(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000577186616 317281431 /nfs/dbraw/zinc/28/14/31/317281431.db2.gz PWMZOJPMKMIQAJ-GXSJLCMTSA-N 1 0 279.344 1.031 20 5 CDBDRO Cc1nc(N[C@@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000382409633 323638860 /nfs/dbraw/zinc/63/88/60/323638860.db2.gz DAIOBTRBPOHIQH-VHSXEESVSA-N 1 0 250.302 1.980 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000388670263 323794322 /nfs/dbraw/zinc/79/43/22/323794322.db2.gz BOOVBYDBXGRNSA-JTQLQIEISA-N 1 0 265.313 1.381 20 5 CDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000389671721 323808251 /nfs/dbraw/zinc/80/82/51/323808251.db2.gz FHSCHHOZDRAFQP-SECBINFHSA-N 1 0 283.353 1.774 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000579580816 324221455 /nfs/dbraw/zinc/22/14/55/324221455.db2.gz MYMWKTWHTXKUCZ-BXUZGUMPSA-N 1 0 279.340 1.561 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[C@H](NC1C[NH2+]C1)C1CC1 ZINC000583558712 325197997 /nfs/dbraw/zinc/19/79/97/325197997.db2.gz QYCINUGOPOOMGB-ZDUSSCGKSA-N 1 0 261.325 1.477 20 5 CDBDRO C[NH2+]C[C@@](C)(O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000583636117 325213489 /nfs/dbraw/zinc/21/34/89/325213489.db2.gz JOZREXLJZVIWQC-BXUZGUMPSA-N 1 0 281.356 1.524 20 5 CDBDRO CCOC(=O)c1cc(N2CC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420123024 482831426 /nfs/dbraw/zinc/83/14/26/482831426.db2.gz AORZQVWZASLKIX-SECBINFHSA-N 1 0 279.296 1.309 20 5 CDBDRO CC(C)C[C@@H]([NH3+])C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000150755049 519225124 /nfs/dbraw/zinc/22/51/24/519225124.db2.gz FPWKQFVOSSGOCS-CYBMUJFWSA-N 1 0 294.355 1.496 20 5 CDBDRO CC(C)C[C@@H]([NH3+])c1noc(Cn2ccc([N+](=O)[O-])n2)n1 ZINC000339396702 519234467 /nfs/dbraw/zinc/23/44/67/519234467.db2.gz QAPBGAYBMXBRCD-MRVPVSSYSA-N 1 0 280.288 1.269 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000148784570 522069963 /nfs/dbraw/zinc/06/99/63/522069963.db2.gz WYVOWFULUCBTMC-QMMMGPOBSA-N 1 0 285.731 1.834 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000053202397 522382974 /nfs/dbraw/zinc/38/29/74/522382974.db2.gz GBRWHRTXIPIRFN-MRVPVSSYSA-N 1 0 269.326 1.480 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000053202039 522383658 /nfs/dbraw/zinc/38/36/58/522383658.db2.gz VVQDXYKONHKNGF-SECBINFHSA-N 1 0 281.287 1.558 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000139759772 523826256 /nfs/dbraw/zinc/82/62/56/523826256.db2.gz YCIYLWUGUJVYFO-GFCCVEGCSA-N 1 0 278.312 1.811 20 5 CDBDRO COCCOCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000044693959 524010141 /nfs/dbraw/zinc/01/01/41/524010141.db2.gz YJYTUUSAHPTSLL-NSHDSACASA-N 1 0 268.313 1.908 20 5 CDBDRO COc1ccc(OC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000051889168 524969684 /nfs/dbraw/zinc/96/96/84/524969684.db2.gz LMWDBZBTKYMGQP-SECBINFHSA-N 1 0 252.270 1.592 20 5 CDBDRO C[C@H]([NH2+]CCOCCO)c1cccc([N+](=O)[O-])c1 ZINC000020199272 525358424 /nfs/dbraw/zinc/35/84/24/525358424.db2.gz FXVKXYLAXKDYIC-JTQLQIEISA-N 1 0 254.286 1.254 20 5 CDBDRO O=C(CCC1CC[NH2+]CC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000050945333 526410867 /nfs/dbraw/zinc/41/08/67/526410867.db2.gz NNGBITOFGKKOQD-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO CC(C)([NH3+])CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000422876066 535208417 /nfs/dbraw/zinc/20/84/17/535208417.db2.gz FXZBPNDCCMARML-UHFFFAOYSA-N 1 0 288.307 1.610 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH3+])c1 ZINC000422874798 535427204 /nfs/dbraw/zinc/42/72/04/535427204.db2.gz DEVWBUVJRUAGHP-UHFFFAOYSA-N 1 0 281.312 1.461 20 5 CDBDRO CN(CC[NH3+])C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000424027784 536367326 /nfs/dbraw/zinc/36/73/26/536367326.db2.gz WIPPEZSZZZRBDL-UHFFFAOYSA-N 1 0 257.677 1.279 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000261795815 536392585 /nfs/dbraw/zinc/39/25/85/536392585.db2.gz RFYHUXWTJIZOPD-MRVPVSSYSA-N 1 0 285.731 1.515 20 5 CDBDRO COc1cc(C[NH2+][C@@H]2CCN(C)C2)c([N+](=O)[O-])cc1OC ZINC000729681620 574820433 /nfs/dbraw/zinc/82/04/33/574820433.db2.gz FPRLFYHMIATBDJ-LLVKDONJSA-N 1 0 295.339 1.406 20 5 CDBDRO CN1CC[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000729681662 574820646 /nfs/dbraw/zinc/82/06/46/574820646.db2.gz HJIHNOAXORSRIR-BPJJOFIESA-N 1 0 261.325 1.902 20 5 CDBDRO C[Si](C)(C)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000731211641 575038468 /nfs/dbraw/zinc/03/84/68/575038468.db2.gz RXEVGGCOLBJBAB-UHFFFAOYSA-N 1 0 294.431 1.989 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2nccs2)cc1 ZINC000731678362 575059474 /nfs/dbraw/zinc/05/94/74/575059474.db2.gz KMKCBWBXRWBNSH-LLVKDONJSA-N 1 0 279.321 1.875 20 5 CDBDRO COC(C)(C)C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750095135 576975625 /nfs/dbraw/zinc/97/56/25/576975625.db2.gz UTFDKTPPAQARBQ-ZDUSSCGKSA-N 1 0 282.340 1.985 20 5 CDBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1NCC[NH+]1CCC1 ZINC000892952223 617967534 /nfs/dbraw/zinc/96/75/34/617967534.db2.gz AQIUJAWJHHZFOT-UHFFFAOYSA-N 1 0 290.298 1.822 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000893871295 618113548 /nfs/dbraw/zinc/11/35/48/618113548.db2.gz JENKVCTWVWDNLF-BMWLXYDHSA-N 1 0 289.335 1.818 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@@H](C)[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000893069110 618125220 /nfs/dbraw/zinc/12/52/20/618125220.db2.gz BGMVRQNOBUILNP-ONGXEEELSA-N 1 0 296.323 1.824 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCOC[C@H]2C)c1[N+](=O)[O-] ZINC000894041460 618282471 /nfs/dbraw/zinc/28/24/71/618282471.db2.gz CEXPDVSCJKPHOI-MWLCHTKSSA-N 1 0 296.323 1.824 20 5 CDBDRO C[NH2+]CCCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841043675 618677977 /nfs/dbraw/zinc/67/79/77/618677977.db2.gz ZWBWACFWRABGFJ-UHFFFAOYSA-N 1 0 257.721 1.947 20 5 CDBDRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840675223 618824329 /nfs/dbraw/zinc/82/43/29/618824329.db2.gz VAJFHQLAIJDRLD-QJPTWQEYSA-N 1 0 270.329 1.458 20 5 CDBDRO C[C@H](Nc1c(F)cccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895247134 619493838 /nfs/dbraw/zinc/49/38/38/619493838.db2.gz TUDRQTSDXFYBAW-GWCFXTLKSA-N 1 0 296.346 1.780 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H](O)C2CC2)cc1 ZINC000898207063 621363688 /nfs/dbraw/zinc/36/36/88/621363688.db2.gz ZHLJYGQGRYQIPC-ZDUSSCGKSA-N 1 0 250.298 1.845 20 5 CDBDRO C[C@@H]([NH2+]C[C@H]1CCN1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903317842 625970604 /nfs/dbraw/zinc/97/06/04/625970604.db2.gz NLNMOEQHSMLWDH-MWLCHTKSSA-N 1 0 264.329 1.532 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000905029590 626391458 /nfs/dbraw/zinc/39/14/58/626391458.db2.gz YVOKATRDMNFKHM-UHFFFAOYSA-N 1 0 260.240 1.697 20 5 CDBDRO C[C@H](COc1ccc(F)cc1F)[NH2+]CC[N+](=O)[O-] ZINC000905070053 626616460 /nfs/dbraw/zinc/61/64/60/626616460.db2.gz XKXBDIULNVAPED-MRVPVSSYSA-N 1 0 260.240 1.598 20 5 CDBDRO C[C@H]1C[C@H](NCC[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000905162428 626673154 /nfs/dbraw/zinc/67/31/54/626673154.db2.gz ZLWUAUDBVCJMFP-JSGCOSHPSA-N 1 0 263.341 1.516 20 5 CDBDRO CC(C)(C)c1ccc([C@H](O)C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905355612 626766407 /nfs/dbraw/zinc/76/64/07/626766407.db2.gz YXTPBTIYGSHRFM-CYBMUJFWSA-N 1 0 266.341 1.884 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC[C@@H](O)C2CC2)cc1 ZINC000905690586 626918121 /nfs/dbraw/zinc/91/81/21/626918121.db2.gz GOHHILPLVIDCKW-ZIAGYGMSSA-N 1 0 280.324 1.379 20 5 CDBDRO C[C@@H]1CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000905971446 627061279 /nfs/dbraw/zinc/06/12/79/627061279.db2.gz BKIQQPBIZSJTCQ-PWSUYJOCSA-N 1 0 266.297 1.429 20 5 CDBDRO C[NH2+]CCCNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000911675659 629406193 /nfs/dbraw/zinc/40/61/93/629406193.db2.gz FCWSXKCLDVQWBP-UHFFFAOYSA-N 1 0 299.758 1.907 20 5 CDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@]12CC[C@H]1C[NH2+]C2 ZINC000912255802 629871267 /nfs/dbraw/zinc/87/12/67/629871267.db2.gz ONXUZXLQDGYWJU-FZMZJTMJSA-N 1 0 275.308 1.211 20 5 CDBDRO CC[C@H](CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000916570421 632016939 /nfs/dbraw/zinc/01/69/39/632016939.db2.gz CCMHJLHDGMOYNV-SNVBAGLBSA-N 1 0 281.312 1.202 20 5 CDBDRO C[N@@H+]1CC[C@H](Nc2ncc3cccc([N+](=O)[O-])c3n2)C1 ZINC001167275576 1158554898 /nfs/dbraw/zinc/55/48/98/1158554898.db2.gz SMPLUAPUWDNTHP-JTQLQIEISA-N 1 0 273.296 1.654 20 5 CDBDRO Cc1c(NCC2C[NH+](C)C2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001170253934 1162326380 /nfs/dbraw/zinc/32/63/80/1162326380.db2.gz FPVBPNKATINTRI-UHFFFAOYSA-N 1 0 280.284 1.785 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]CC2CN(C)C2)c([N+](=O)[O-])c1 ZINC001170314009 1162335131 /nfs/dbraw/zinc/33/51/31/1162335131.db2.gz TZVMNZYGJGZUIF-LLVKDONJSA-N 1 0 293.367 1.686 20 5 CDBDRO CCC1(Nc2nc(Cl)nc(Cl)c2[N+](=O)[O-])C[NH2+]C1 ZINC001157779309 1162415692 /nfs/dbraw/zinc/41/56/92/1162415692.db2.gz PTDFSMWCKSVHIC-UHFFFAOYSA-N 1 0 292.126 1.856 20 5 CDBDRO Cc1cnc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC001170571057 1162958377 /nfs/dbraw/zinc/95/83/77/1162958377.db2.gz XUSVOQBVVBCXRQ-ONGXEEELSA-N 1 0 266.301 1.087 20 5 CDBDRO Cc1cnc(N[C@H](C)[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC001170571055 1162958763 /nfs/dbraw/zinc/95/87/63/1162958763.db2.gz XUSVOQBVVBCXRQ-MWLCHTKSSA-N 1 0 266.301 1.087 20 5 CDBDRO [NH3+]Cc1cnn(-c2ccc3cnccc3c2[N+](=O)[O-])c1 ZINC001168262777 1160569223 /nfs/dbraw/zinc/56/92/23/1160569223.db2.gz WBCUJDQZXIHVQV-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO COC(=O)c1cnc(O[C@@H](C)C[N+](C)(C)C)c([N+](=O)[O-])c1 ZINC001233862105 1161093930 /nfs/dbraw/zinc/09/39/30/1161093930.db2.gz OVLYKNWFHJHVPS-VIFPVBQESA-N 1 0 298.319 1.250 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001155618073 1167260271 /nfs/dbraw/zinc/26/02/71/1167260271.db2.gz KWQKSGWKCFNHQD-ZWNOBZJWSA-N 1 0 296.302 1.452 20 5 CDBDRO CC1(C)C[NH2+]C[C@H]1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001576477233 1171431808 /nfs/dbraw/zinc/43/18/08/1171431808.db2.gz SQJDDJDKYBPVDJ-LLVKDONJSA-N 1 0 296.302 1.044 20 5 CDBDRO COC(=O)Cc1ccc(SCC[NH3+])c([N+](=O)[O-])c1 ZINC001578820979 1172019622 /nfs/dbraw/zinc/01/96/22/1172019622.db2.gz RGDMWZSMIQGDMP-UHFFFAOYSA-N 1 0 270.310 1.361 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC001579242627 1172124985 /nfs/dbraw/zinc/12/49/85/1172124985.db2.gz UUBJGNRSUPVUPO-ZKCHVHJHSA-N 1 0 280.284 1.215 20 5 CDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1SCCCCCC[NH3+] ZINC001580293143 1172395010 /nfs/dbraw/zinc/39/50/10/1172395010.db2.gz CEKADTNPZJVLTQ-UHFFFAOYSA-N 1 0 298.368 1.700 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001580449616 1172439128 /nfs/dbraw/zinc/43/91/28/1172439128.db2.gz QAMCMUONSIOAON-CHWSQXEVSA-N 1 0 290.323 1.144 20 5 CDBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc([N+](=O)[O-])[nH]1 ZINC001580702998 1172517888 /nfs/dbraw/zinc/51/78/88/1172517888.db2.gz CYCNHNFDTVLGAS-ILWJIGKKSA-N 1 0 278.312 1.183 20 5 CDBDRO Cc1cnc(N[C@H]2CCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000090692696 1174188688 /nfs/dbraw/zinc/18/86/88/1174188688.db2.gz GMXPJLGZVBFBAC-UWVGGRQHSA-N 1 0 250.302 1.838 20 5 CDBDRO COc1ccc(C[NH2+]CC[S@@](C)=O)cc1[N+](=O)[O-] ZINC000134741392 705359604 /nfs/dbraw/zinc/35/96/04/705359604.db2.gz IXARYLYPEYTTTH-SFHVURJKSA-N 1 0 272.326 1.072 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H](C)[NH3+])c1 ZINC000877098684 705420596 /nfs/dbraw/zinc/42/05/96/705420596.db2.gz VDUTWNKVZHYAEA-QMMMGPOBSA-N 1 0 267.285 1.023 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000822863984 705456675 /nfs/dbraw/zinc/45/66/75/705456675.db2.gz WFMZLGQZJCZRLU-HTQZYQBOSA-N 1 0 277.284 1.414 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000882494296 705552600 /nfs/dbraw/zinc/55/26/00/705552600.db2.gz IQUBXXDLICGHJJ-LBPRGKRZSA-N 1 0 295.314 1.487 20 5 CDBDRO CC[N@H+](C)C[C@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000173497548 705554473 /nfs/dbraw/zinc/55/44/73/705554473.db2.gz DSZFLLBRCCMCLC-LLVKDONJSA-N 1 0 267.333 1.022 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000129246738 705577432 /nfs/dbraw/zinc/57/74/32/705577432.db2.gz CCKNIXWYYGGKHO-WCBMZHEXSA-N 1 0 281.287 1.686 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819008304 705646253 /nfs/dbraw/zinc/64/62/53/705646253.db2.gz WIRSYPYQWGCLSK-DOMZBBRYSA-N 1 0 295.383 1.948 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000832220529 705665209 /nfs/dbraw/zinc/66/52/09/705665209.db2.gz YQBWXVYATQARSI-LLVKDONJSA-N 1 0 273.377 1.667 20 5 CDBDRO CC(C)(CCc1noc(C2(C[NH3+])CC2)n1)[N+](=O)[O-] ZINC000843235042 705678563 /nfs/dbraw/zinc/67/85/63/705678563.db2.gz YLUJMPSALDMMEB-UHFFFAOYSA-N 1 0 254.290 1.048 20 5 CDBDRO C[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000819390915 705745072 /nfs/dbraw/zinc/74/50/72/705745072.db2.gz XDQBTPRGRYXISR-GWCFXTLKSA-N 1 0 267.329 1.168 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886876223 705794524 /nfs/dbraw/zinc/79/45/24/705794524.db2.gz YRIBMPHAXHTQPW-HNNXBMFYSA-N 1 0 290.367 1.955 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@H](F)C2)c1 ZINC000830480769 705804791 /nfs/dbraw/zinc/80/47/91/705804791.db2.gz SYDZTBQKNDDWEV-PWSUYJOCSA-N 1 0 254.261 1.672 20 5 CDBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000785726454 705815473 /nfs/dbraw/zinc/81/54/73/705815473.db2.gz DEEAABLAVOMELS-GHMZBOCLSA-N 1 0 296.327 1.207 20 5 CDBDRO CC(C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000054128340 705836121 /nfs/dbraw/zinc/83/61/21/705836121.db2.gz MYRWCHJBQVWDRD-UHFFFAOYSA-N 1 0 279.300 1.883 20 5 CDBDRO COC[C@@H](O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848549609 705891841 /nfs/dbraw/zinc/89/18/41/705891841.db2.gz XQDUNXVTDBXSOG-CABZTGNLSA-N 1 0 266.297 1.179 20 5 CDBDRO CC[C@H]([NH3+])CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817979856 705899999 /nfs/dbraw/zinc/89/99/99/705899999.db2.gz PUBKKYJDHYPKPN-WPRPVWTQSA-N 1 0 252.318 1.565 20 5 CDBDRO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000886300307 705909456 /nfs/dbraw/zinc/90/94/56/705909456.db2.gz FHYPVTKARYPKOT-JGZJWPJOSA-N 1 0 251.286 1.193 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C3OCCO3)C2)c(F)c1 ZINC000719108886 705998678 /nfs/dbraw/zinc/99/86/78/705998678.db2.gz LZHRJIACUGIDIJ-NSHDSACASA-N 1 0 296.298 1.929 20 5 CDBDRO CN(CC1CC[NH+](C)CC1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823104807 706009906 /nfs/dbraw/zinc/00/99/06/706009906.db2.gz OYRNGMUREZEYGX-UHFFFAOYSA-N 1 0 285.388 1.622 20 5 CDBDRO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H](O)C1CC1 ZINC000776591236 706077150 /nfs/dbraw/zinc/07/71/50/706077150.db2.gz HUVOHKUZNDQVIW-ZIAGYGMSSA-N 1 0 280.324 1.331 20 5 CDBDRO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000852702188 706098745 /nfs/dbraw/zinc/09/87/45/706098745.db2.gz HXLGALBLARMVQO-DFBGVHRSSA-N 1 0 294.351 1.579 20 5 CDBDRO CCCNC(=O)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866215383 706101642 /nfs/dbraw/zinc/10/16/42/706101642.db2.gz LMTKJGDMJIOREF-JTQLQIEISA-N 1 0 297.330 1.781 20 5 CDBDRO CC[NH+](CC)CCOC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000848786434 706153330 /nfs/dbraw/zinc/15/33/30/706153330.db2.gz HBHGAUYOUIJCMV-UHFFFAOYSA-N 1 0 282.300 1.071 20 5 CDBDRO O=C(NC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702056161 706184626 /nfs/dbraw/zinc/18/46/26/706184626.db2.gz QTOYQHYFHWYGPA-UHFFFAOYSA-N 1 0 283.715 1.730 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[NH2+]2)c1C ZINC000884024066 706185508 /nfs/dbraw/zinc/18/55/08/706185508.db2.gz GBKHLTXSTGJCSA-NSHDSACASA-N 1 0 277.324 1.693 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C/C=C/CO ZINC000873135605 709524516 /nfs/dbraw/zinc/52/45/16/709524516.db2.gz KRBQYNVLMBMHPP-ONEGZZNKSA-N 1 0 250.298 1.850 20 5 CDBDRO CN(C(=O)CN1CC[C@@H](CF)C1)c1ccc([N+](=O)[O-])cc1 ZINC000880296679 709806002 /nfs/dbraw/zinc/80/60/02/709806002.db2.gz CTWILESAVCJWCR-NSHDSACASA-N 1 0 295.314 1.849 20 5 CDBDRO C[S@](=O)CCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000116918428 709857658 /nfs/dbraw/zinc/85/76/58/709857658.db2.gz MOGVHRKKAZDCLP-ZLHKHBAESA-N 1 0 282.365 1.966 20 5 CDBDRO C[NH+]1CCC(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000864596759 709877083 /nfs/dbraw/zinc/87/70/83/709877083.db2.gz CYKWVVHSGHAKMK-UHFFFAOYSA-N 1 0 295.314 1.487 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000886217817 709897288 /nfs/dbraw/zinc/89/72/88/709897288.db2.gz IEXDLANBJCGUQV-GFCCVEGCSA-N 1 0 277.324 1.869 20 5 CDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC[S@](C)=O ZINC000829515713 710000485 /nfs/dbraw/zinc/00/04/85/710000485.db2.gz FIVVLCLDGQOUEQ-SFHVURJKSA-N 1 0 270.354 1.448 20 5 CDBDRO CC(C)[N@H+](C)CCNc1ccnc(F)c1[N+](=O)[O-] ZINC000881904988 710013174 /nfs/dbraw/zinc/01/31/74/710013174.db2.gz POMGRJAAYDDNEV-UHFFFAOYSA-N 1 0 256.281 1.881 20 5 CDBDRO C[NH2+]C1(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC000311550129 710015628 /nfs/dbraw/zinc/01/56/28/710015628.db2.gz IPHSQUGBPUDAMA-UHFFFAOYSA-N 1 0 263.297 1.984 20 5 CDBDRO COC[C@@]1(c2nc(-c3ccc([N+](=O)[O-])o3)no2)CC[NH2+]C1 ZINC000823270617 710084729 /nfs/dbraw/zinc/08/47/29/710084729.db2.gz UFNHCXRVIHLQKI-GFCCVEGCSA-N 1 0 294.267 1.115 20 5 CDBDRO C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000886829792 710202587 /nfs/dbraw/zinc/20/25/87/710202587.db2.gz HEKWEOAUJNWJAS-KOLCDFICSA-N 1 0 250.302 1.159 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000818018494 710258829 /nfs/dbraw/zinc/25/88/29/710258829.db2.gz XPTKTJKPPNKNDE-OAHLLOKOSA-N 1 0 289.335 1.871 20 5 CDBDRO NC(=O)C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809785614 710276674 /nfs/dbraw/zinc/27/66/74/710276674.db2.gz WUWMNXMTNKLCND-SNVBAGLBSA-N 1 0 297.742 1.946 20 5 CDBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCOC1 ZINC000776583315 710281068 /nfs/dbraw/zinc/28/10/68/710281068.db2.gz ZRLXRMWLEOJJLO-SWLSCSKDSA-N 1 0 294.351 1.987 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000886300332 710365363 /nfs/dbraw/zinc/36/53/63/710365363.db2.gz FWVOCNPMDSDKDQ-GXTWGEPZSA-N 1 0 277.324 1.584 20 5 CDBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)C1CC1 ZINC000786798344 710415025 /nfs/dbraw/zinc/41/50/25/710415025.db2.gz AFCSVIMYHHHMEF-CYBMUJFWSA-N 1 0 292.339 1.247 20 5 CDBDRO CC(C)(CCC(=O)N1CC[NH+](C2CCC2)CC1)[N+](=O)[O-] ZINC000823326120 710444118 /nfs/dbraw/zinc/44/41/18/710444118.db2.gz STWGXWJYPKUFAA-UHFFFAOYSA-N 1 0 283.372 1.519 20 5 CDBDRO CCC[N@H+](CC)CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826589346 710478010 /nfs/dbraw/zinc/47/80/10/710478010.db2.gz GXDDVCILKSYTDX-UHFFFAOYSA-N 1 0 273.377 1.670 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1[NH3+] ZINC000702065534 710545536 /nfs/dbraw/zinc/54/55/36/710545536.db2.gz KLIMLVYNSZHHDM-GMSGAONNSA-N 1 0 283.715 1.667 20 5 CDBDRO C[NH+](C)CCn1cc(NC(=O)CCC(C)(C)[N+](=O)[O-])cn1 ZINC000822935166 710579267 /nfs/dbraw/zinc/57/92/67/710579267.db2.gz NYYJJQBIKIHOQK-UHFFFAOYSA-N 1 0 297.359 1.219 20 5 CDBDRO C[NH2+]C[C@@H](C)c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000843238031 710591467 /nfs/dbraw/zinc/59/14/67/710591467.db2.gz KGVKKIYERMLQCR-ZCFIWIBFSA-N 1 0 252.230 1.561 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000038048558 710614787 /nfs/dbraw/zinc/61/47/87/710614787.db2.gz UUOZIEBQYRTRFC-GHMZBOCLSA-N 1 0 281.287 1.734 20 5 CDBDRO CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001021745514 710644306 /nfs/dbraw/zinc/64/43/06/710644306.db2.gz CAAXGDLLOMBSKL-TXEJJXNPSA-N 1 0 263.297 1.352 20 5 CDBDRO C[C@@H]([NH3+])CN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000863566192 710738681 /nfs/dbraw/zinc/73/86/81/710738681.db2.gz DQZJYOJODNZMKN-ZJUUUORDSA-N 1 0 280.328 1.201 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000049918485 710739966 /nfs/dbraw/zinc/73/99/66/710739966.db2.gz QEQAUCBLQQFBEI-SNVBAGLBSA-N 1 0 294.355 1.637 20 5 CDBDRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000134756182 710830791 /nfs/dbraw/zinc/83/07/91/710830791.db2.gz HLXTZABWFVKTQW-GXFFZTMASA-N 1 0 267.329 1.168 20 5 CDBDRO CCC([NH3+])(CC)CNc1c([N+](=O)[O-])c(C)nn1C ZINC000130092675 711477208 /nfs/dbraw/zinc/47/72/08/711477208.db2.gz NTJMDJDTTUCORH-UHFFFAOYSA-N 1 0 255.322 1.566 20 5 CDBDRO CNC(=O)CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873024121 711504140 /nfs/dbraw/zinc/50/41/40/711504140.db2.gz HPTJGFKJAXRBEQ-UHFFFAOYSA-N 1 0 265.313 1.437 20 5 CDBDRO C[C@H]([N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000831020740 711564177 /nfs/dbraw/zinc/56/41/77/711564177.db2.gz VATRUQARXMDXNT-GWCFXTLKSA-N 1 0 282.340 1.719 20 5 CDBDRO CC(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001005380868 711586352 /nfs/dbraw/zinc/58/63/52/711586352.db2.gz HNZFUTQVBJSLCX-ZIAGYGMSSA-N 1 0 297.399 1.621 20 5 CDBDRO Cc1noc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1[N+](=O)[O-] ZINC000886815264 711588269 /nfs/dbraw/zinc/58/82/69/711588269.db2.gz AMRNDKZGWXKQLD-QWRGUYRKSA-N 1 0 281.312 1.892 20 5 CDBDRO CC(C)(CCC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)[N+](=O)[O-] ZINC000823180246 711603062 /nfs/dbraw/zinc/60/30/62/711603062.db2.gz LYVHBEJEHCXZHA-CYBMUJFWSA-N 1 0 297.399 1.909 20 5 CDBDRO CC(C)(O)CN1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881906504 711663088 /nfs/dbraw/zinc/66/30/88/711663088.db2.gz RLBNMVSJSGODKE-UHFFFAOYSA-N 1 0 298.318 1.022 20 5 CDBDRO O=C(NCCC1CC[NH2+]CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000846699767 711682696 /nfs/dbraw/zinc/68/26/96/711682696.db2.gz MLCZXLAIEJOLPR-UHFFFAOYSA-N 1 0 295.314 1.853 20 5 CDBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000776583579 711710416 /nfs/dbraw/zinc/71/04/16/711710416.db2.gz FWBCXESWGYUCSC-LBPRGKRZSA-N 1 0 268.313 1.331 20 5 CDBDRO COc1ccc(CN2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000050249108 711714248 /nfs/dbraw/zinc/71/42/48/711714248.db2.gz MRJNKWMTDLQVRH-LLVKDONJSA-N 1 0 265.313 1.384 20 5 CDBDRO CCc1nn(C)c(N[C@H](C)[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000091559556 711728655 /nfs/dbraw/zinc/72/86/55/711728655.db2.gz DNUNISHVIHPHLC-NXEZZACHSA-N 1 0 281.360 1.691 20 5 CDBDRO Cc1cc(F)cc(C(=O)NC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000176697335 711729976 /nfs/dbraw/zinc/72/99/76/711729976.db2.gz ZKHNKYPPLCSBEZ-UHFFFAOYSA-N 1 0 295.314 1.866 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000092627068 711730693 /nfs/dbraw/zinc/73/06/93/711730693.db2.gz YGLOLQUNJHVHSX-LLVKDONJSA-N 1 0 295.314 1.900 20 5 CDBDRO CN1CC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000712579981 711767606 /nfs/dbraw/zinc/76/76/06/711767606.db2.gz MCJKKKNODNJHSJ-LLVKDONJSA-N 1 0 253.277 1.528 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCCC[C@H]2O)cc1 ZINC000710840904 711792075 /nfs/dbraw/zinc/79/20/75/711792075.db2.gz SVAWUIVIJNMDQI-MCIONIFRSA-N 1 0 280.324 1.521 20 5 CDBDRO O=[N+]([O-])c1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000107571787 711798785 /nfs/dbraw/zinc/79/87/85/711798785.db2.gz WQHIKBCVZIFZKF-DTORHVGOSA-N 1 0 251.261 1.390 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(C)[C@@H](C)C1 ZINC000817538194 711812850 /nfs/dbraw/zinc/81/28/50/711812850.db2.gz CECSKUPTLBVOIO-LBPRGKRZSA-N 1 0 291.351 1.988 20 5 CDBDRO O=C1NCCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839195342 711813110 /nfs/dbraw/zinc/81/31/10/711813110.db2.gz HDYPYZQXUFIBNZ-SECBINFHSA-N 1 0 297.742 1.864 20 5 CDBDRO C[NH+](C)C1(CNc2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000842047899 711825676 /nfs/dbraw/zinc/82/56/76/711825676.db2.gz XSJXGMQMYJFXOT-UHFFFAOYSA-N 1 0 275.312 1.749 20 5 CDBDRO CN(CC1CC[NH+](C)CC1)c1ncc(F)cc1[N+](=O)[O-] ZINC000601113907 721932277 /nfs/dbraw/zinc/93/22/77/721932277.db2.gz IZTHZAKIPQDRNZ-UHFFFAOYSA-N 1 0 282.319 1.907 20 5 CDBDRO CC(C)[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC001173216258 912297986 /nfs/dbraw/zinc/29/79/86/912297986.db2.gz HWAQKDAYGWROGE-MFKMUULPSA-N 1 0 279.340 1.625 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)[C@H]1CCOC1 ZINC001173215912 912299143 /nfs/dbraw/zinc/29/91/43/912299143.db2.gz AYPGYVYTOUUULV-OSAQELSMSA-N 1 0 294.351 1.513 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001173221023 912304975 /nfs/dbraw/zinc/30/49/75/912304975.db2.gz FJGRNXVWHYRZER-OSAQELSMSA-N 1 0 294.351 1.201 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCNC1=O ZINC001173217450 912302230 /nfs/dbraw/zinc/30/22/30/912302230.db2.gz UXUXULJEGNBHOT-NSHDSACASA-N 1 0 292.339 1.141 20 5 CDBDRO C=CC(=O)NCC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173233927 912326058 /nfs/dbraw/zinc/32/60/58/912326058.db2.gz LPMSLMXKPPPWFE-LLVKDONJSA-N 1 0 277.324 1.418 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC(=O)N1C ZINC001173234911 912332093 /nfs/dbraw/zinc/33/20/93/912332093.db2.gz QSDQDDVRCUHYSI-BXUZGUMPSA-N 1 0 291.351 1.736 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3cc([N+](=O)[O-])cc(Cl)n3)C[C@H]2C1 ZINC000706223500 895198389 /nfs/dbraw/zinc/19/83/89/895198389.db2.gz OOIMHUUIBJXCMM-DTORHVGOSA-N 1 0 282.731 1.641 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCCC[NH3+] ZINC001349600135 896520795 /nfs/dbraw/zinc/52/07/95/896520795.db2.gz ROPSEJXEPNNTSQ-UHFFFAOYSA-N 1 0 265.313 1.680 20 5 CDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1=CCCC1 ZINC001125624700 897012717 /nfs/dbraw/zinc/01/27/17/897012717.db2.gz GHVFJOUFQFRGLL-UHFFFAOYSA-N 1 0 289.335 1.911 20 5 CDBDRO Cc1c(C(=O)N2CC[C@@](C)([NH3+])C2)cccc1[N+](=O)[O-] ZINC000405834621 897692313 /nfs/dbraw/zinc/69/23/13/897692313.db2.gz PCYVYFGUKWOBNK-CYBMUJFWSA-N 1 0 263.297 1.467 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1c(Cl)cncc1[N+](=O)[O-] ZINC001167688960 898149381 /nfs/dbraw/zinc/14/93/81/898149381.db2.gz BWAITQTYOIETEJ-UHFFFAOYSA-N 1 0 279.687 1.372 20 5 CDBDRO C[C@@H]1COC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000699772569 914243883 /nfs/dbraw/zinc/24/38/83/914243883.db2.gz DRMFEVGQMOQJLW-ZYHUDNBSSA-N 1 0 250.298 1.762 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000714058932 906557445 /nfs/dbraw/zinc/55/74/45/906557445.db2.gz OOMBPANKPZUFLB-MRVPVSSYSA-N 1 0 269.276 1.319 20 5 CDBDRO COc1ccnc(N[C@H]2C[NH2+]CC[C@H]2F)c1[N+](=O)[O-] ZINC001168228232 907946046 /nfs/dbraw/zinc/94/60/46/907946046.db2.gz RFQQVMQVFRBNNK-SFYZADRCSA-N 1 0 270.264 1.110 20 5 CDBDRO O=[N+]([O-])c1c(NC[C@H]2C[C@H](F)C2)ncnc1C1C[NH2+]C1 ZINC001168236654 907953611 /nfs/dbraw/zinc/95/36/11/907953611.db2.gz CQEVVWYLJCENIO-XWEPSHTISA-N 1 0 281.291 1.232 20 5 CDBDRO Cc1ccc(C)c(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001126936843 909937734 /nfs/dbraw/zinc/93/77/34/909937734.db2.gz UICLDUNWIAFSGU-ZIAGYGMSSA-N 1 0 291.351 1.174 20 5 CDBDRO NC(=[NH2+])c1nccn1-c1nccc2c1cccc2[N+](=O)[O-] ZINC001168411071 911852752 /nfs/dbraw/zinc/85/27/52/911852752.db2.gz BSYWHDYOXDKGON-UHFFFAOYSA-N 1 0 282.263 1.613 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CC1OCCO1)CC2 ZINC001172913209 912103638 /nfs/dbraw/zinc/10/36/38/912103638.db2.gz URANJMIXJUGTGF-ZDUSSCGKSA-N 1 0 292.335 1.805 20 5 CDBDRO CCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178464220 915450892 /nfs/dbraw/zinc/45/08/92/915450892.db2.gz QSXOLFZIDQNDJT-CHWSQXEVSA-N 1 0 285.388 1.718 20 5 CDBDRO Cc1c(CNC[C@](C)(O)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000227972642 920138685 /nfs/dbraw/zinc/13/86/85/920138685.db2.gz UJZJOKDSQQNSGD-AWEZNQCLSA-N 1 0 281.356 1.305 20 5 CDBDRO Cc1c(-n2nccc2C[NH3+])ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001162593349 922793831 /nfs/dbraw/zinc/79/38/31/922793831.db2.gz IQDHGZPTZGGXTO-UHFFFAOYSA-N 1 0 277.240 1.456 20 5 CDBDRO CC(C)[NH2+]CCC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326052081 924913030 /nfs/dbraw/zinc/91/30/30/924913030.db2.gz LLVOOFDNIJHBKJ-UHFFFAOYSA-N 1 0 277.324 1.825 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@@H]3[NH2+]C[C@H]32)n1 ZINC001165393463 925024425 /nfs/dbraw/zinc/02/44/25/925024425.db2.gz TUKALGJWJKAQRC-JGVFFNPUSA-N 1 0 283.719 1.287 20 5 CDBDRO COc1nc(N(C)C[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001166955407 925367021 /nfs/dbraw/zinc/36/70/21/925367021.db2.gz VVMAEIYNBAPPLM-SECBINFHSA-N 1 0 266.301 1.044 20 5 CDBDRO Cc1cccc(-n2cc3c(n2)CC[C@H]([NH3+])C3)c1[N+](=O)[O-] ZINC001168814293 927469859 /nfs/dbraw/zinc/46/98/59/927469859.db2.gz ABKXVVTXPFJKHL-NSHDSACASA-N 1 0 272.308 1.905 20 5 CDBDRO [NH3+][C@@H]1CCN(c2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001156229275 927500053 /nfs/dbraw/zinc/50/00/53/927500053.db2.gz WVSPYVJLWGFUFY-SNVBAGLBSA-N 1 0 258.281 1.680 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2ncccn2)C1 ZINC001168982775 927570677 /nfs/dbraw/zinc/57/06/77/927570677.db2.gz IYTNOHGRUVAYQM-QWRGUYRKSA-N 1 0 250.302 1.054 20 5 CDBDRO CC1(C)OC[C@@H](C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)O1 ZINC001168983346 927571392 /nfs/dbraw/zinc/57/13/92/927571392.db2.gz JQARXHPLEDAOKD-GARJFASQSA-N 1 0 258.318 1.173 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](CO)Cc2cccc(F)c2)C1 ZINC001168984771 927572160 /nfs/dbraw/zinc/57/21/60/927572160.db2.gz AGFKVIPSBANORY-YUELXQCFSA-N 1 0 296.342 1.764 20 5 CDBDRO CNC(=O)[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001168986176 927573012 /nfs/dbraw/zinc/57/30/12/927573012.db2.gz WWRKZIUSQOWPCL-GMTAPVOTSA-N 1 0 271.361 1.182 20 5 CDBDRO O=C(CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)NC1CCCC1 ZINC001168965622 927589851 /nfs/dbraw/zinc/58/98/51/927589851.db2.gz BDVZWVRBLIKIMS-DGCLKSJQSA-N 1 0 283.372 1.470 20 5 CDBDRO Cc1nn(C)cc1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968097 927591352 /nfs/dbraw/zinc/59/13/52/927591352.db2.gz VPPYIBBONVAZNE-CMPLNLGQSA-N 1 0 252.318 1.264 20 5 CDBDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168970716 927593831 /nfs/dbraw/zinc/59/38/31/927593831.db2.gz IQLJPHTUWLUEAJ-UMSGYPCISA-N 1 0 284.356 1.753 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@]23CCCOC3)C1 ZINC001169001430 927606643 /nfs/dbraw/zinc/60/66/43/927606643.db2.gz FXJXENRQYMVCSP-XQHKEYJVSA-N 1 0 254.330 1.591 20 5 CDBDRO Cc1ncc2n1CCN([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169010238 927613096 /nfs/dbraw/zinc/61/30/96/927613096.db2.gz BRMAYLZVDWKPBD-NEPJUHHUSA-N 1 0 264.329 1.453 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@]3(CCCO3)C2)C1 ZINC001169012180 927616288 /nfs/dbraw/zinc/61/62/88/927616288.db2.gz OOFBYPMFXPTOOU-UPJWGTAASA-N 1 0 254.330 1.687 20 5 CDBDRO C[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011936 927617177 /nfs/dbraw/zinc/61/71/77/927617177.db2.gz NTWLCVZNTMZUDU-WDEREUQCSA-N 1 0 272.345 1.705 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCc3cc(CO)ccc3C2)C1 ZINC001169011265 927617541 /nfs/dbraw/zinc/61/75/41/927617541.db2.gz JAVRGBSVGWXWPO-MLGOLLRUSA-N 1 0 290.363 1.982 20 5 CDBDRO COc1cc([N+](=O)[O-])c(-n2c(C)cnc2C[NH3+])cc1F ZINC001169028860 927635581 /nfs/dbraw/zinc/63/55/81/927635581.db2.gz HXSRFJDTQCETDJ-UHFFFAOYSA-N 1 0 280.259 1.695 20 5 CDBDRO CCN1CCC([N@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169034527 927640392 /nfs/dbraw/zinc/64/03/92/927640392.db2.gz HILGDYDOGMJRQV-OCCSQVGLSA-N 1 0 269.389 1.848 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CC(N3CCC(F)CC3)C2)C1 ZINC001169034141 927642391 /nfs/dbraw/zinc/64/23/91/927642391.db2.gz FNHVNNPTTIMSLT-YPMHNXCESA-N 1 0 285.363 1.550 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCc3cccnc3C2)C1 ZINC001169036139 927644542 /nfs/dbraw/zinc/64/45/42/927644542.db2.gz FMCPCMIGELUMDY-YPMHNXCESA-N 1 0 261.325 1.885 20 5 CDBDRO CC(C)(O)CCN1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169042812 927656735 /nfs/dbraw/zinc/65/67/35/927656735.db2.gz GALPFZQHVHJFSQ-KGLIPLIRSA-N 1 0 299.415 1.210 20 5 CDBDRO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169024344 927664260 /nfs/dbraw/zinc/66/42/60/927664260.db2.gz GLKDBPMTQWDTSI-ZBBUEOHVSA-N 1 0 284.356 1.310 20 5 CDBDRO CO[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H](C)C1 ZINC001169050646 927670062 /nfs/dbraw/zinc/67/00/62/927670062.db2.gz CCWINVLXRIEISI-WUHRBBMRSA-N 1 0 256.346 1.931 20 5 CDBDRO COc1cc2c(cn1)CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169057734 927675276 /nfs/dbraw/zinc/67/52/76/927675276.db2.gz XMXLFZHSQOATLA-SMDDNHRTSA-N 1 0 291.351 1.894 20 5 CDBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590454 927778330 /nfs/dbraw/zinc/77/83/30/927778330.db2.gz GMPYEERBSMKGLP-GLQYFDAESA-N 1 0 294.351 1.864 20 5 CDBDRO COc1cc(-n2ncc3c2cccc3C[NH3+])cnc1[N+](=O)[O-] ZINC001169193052 927803555 /nfs/dbraw/zinc/80/35/55/927803555.db2.gz SGMAKGRJULVSQQ-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO [NH3+]CCON=c1ccc(-c2ccccc2[N+](=O)[O-])n[nH]1 ZINC001156293721 927963891 /nfs/dbraw/zinc/96/38/91/927963891.db2.gz OLVSIZDKTRWSNC-UHFFFAOYSA-N 1 0 275.268 1.354 20 5 CDBDRO [NH3+]CCON=c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)n[nH]1 ZINC001156293780 927964087 /nfs/dbraw/zinc/96/40/87/927964087.db2.gz RMPKLGBLSYEMNJ-UHFFFAOYSA-N 1 0 293.258 1.493 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])cc1NCC12CC[NH+](CC1)CC2 ZINC001169797121 928422180 /nfs/dbraw/zinc/42/21/80/928422180.db2.gz YZYFTBINGMUEGB-UHFFFAOYSA-N 1 0 278.312 1.126 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(-n2nnc3ccc(C[NH3+])cc32)n1 ZINC001170023796 929059958 /nfs/dbraw/zinc/05/99/58/929059958.db2.gz LYUXEBPCCUYLIZ-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO Cc1c(N(C)C(C)(C)C[NH3+])ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001170058738 929231318 /nfs/dbraw/zinc/23/13/18/929231318.db2.gz CWGPQZHWKAPMIL-UHFFFAOYSA-N 1 0 282.300 1.985 20 5 CDBDRO O=[N+]([O-])/C=C/c1ccc(Cl)cc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001170782306 929971191 /nfs/dbraw/zinc/97/11/91/929971191.db2.gz MRTQKTWKKYZADG-JZEAAEPLSA-N 1 0 297.742 1.580 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@@H]2C[NH2+]C[C@H]2CO)cc2ccccc21 ZINC001170789914 930036140 /nfs/dbraw/zinc/03/61/40/930036140.db2.gz ROVPZONQCVFYLQ-SMDDNHRTSA-N 1 0 287.319 1.740 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001115921333 937424339 /nfs/dbraw/zinc/42/43/39/937424339.db2.gz YZDKGUZVWWKFLG-LLVKDONJSA-N 1 0 292.339 1.244 20 5 CDBDRO C[C@@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[C@H](C)[NH3+] ZINC001118131905 937594315 /nfs/dbraw/zinc/59/43/15/937594315.db2.gz ONYRMCNWAFEPAZ-BDAKNGLRSA-N 1 0 263.297 1.420 20 5 CDBDRO CC1(C)C[NH2+][C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001118200115 937601814 /nfs/dbraw/zinc/60/18/14/937601814.db2.gz ZLQMHPGTEZKQMC-ZDUSSCGKSA-N 1 0 289.335 1.478 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1-c1nc(C[C@@H](C)[NH2+]C)no1 ZINC001118237560 937606640 /nfs/dbraw/zinc/60/66/40/937606640.db2.gz COEPQBRRVKALJV-MRVPVSSYSA-N 1 0 291.311 1.837 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCOC[C@H]1C[NH+](C)C ZINC001154962936 937613121 /nfs/dbraw/zinc/61/31/21/937613121.db2.gz WXZIWKXRRDLVPH-GFCCVEGCSA-N 1 0 280.328 1.065 20 5 CDBDRO COc1nc(NC[C@@H]2CCCC[NH2+]2)nc(C)c1[N+](=O)[O-] ZINC001171327918 932681191 /nfs/dbraw/zinc/68/11/91/932681191.db2.gz IJZPWFTWSRIVHW-VIFPVBQESA-N 1 0 281.316 1.256 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1-n1cncc1C1CC[NH2+]CC1 ZINC001155064102 937629875 /nfs/dbraw/zinc/62/98/75/937629875.db2.gz MMKOAHXVYQYHJZ-UHFFFAOYSA-N 1 0 288.311 1.225 20 5 CDBDRO COc1cc(NC[C@]2(F)CCCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001155115997 937637182 /nfs/dbraw/zinc/63/71/82/937637182.db2.gz FPKXTJZMGSFFNW-ZDUSSCGKSA-N 1 0 298.318 1.892 20 5 CDBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1cc(N)c([N+](=O)[O-])cn1 ZINC001155254145 937653927 /nfs/dbraw/zinc/65/39/27/937653927.db2.gz GEFKUVWRJFYMTK-MRVPVSSYSA-N 1 0 298.306 1.931 20 5 CDBDRO Nc1nc(NCc2ccc3c(c2)CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001155267909 937656021 /nfs/dbraw/zinc/65/60/21/937656021.db2.gz GQDICMAKZLCXSR-UHFFFAOYSA-N 1 0 299.334 1.830 20 5 CDBDRO O=[N+]([O-])c1cnc(N(c2ncccn2)C2C[NH2+]C2)c(F)c1 ZINC001155869511 937683929 /nfs/dbraw/zinc/68/39/29/937683929.db2.gz GMKLUMPRIUUYEE-UHFFFAOYSA-N 1 0 290.258 1.029 20 5 CDBDRO C[C@]([NH3+])(C(=O)N[C@@H]1C=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC001119056437 937692113 /nfs/dbraw/zinc/69/21/13/937692113.db2.gz QSAPRZYZLFYWBP-IUODEOHRSA-N 1 0 289.335 1.994 20 5 CDBDRO C[C@@H]1COC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000688047982 934528838 /nfs/dbraw/zinc/52/88/38/934528838.db2.gz MGPDMNFNJYHFPS-MFKMUULPSA-N 1 0 250.298 1.762 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@@H]21 ZINC001120051858 937776992 /nfs/dbraw/zinc/77/69/92/937776992.db2.gz FLLXFEDNTFEONW-RNCFNFMXSA-N 1 0 292.295 1.643 20 5 CDBDRO [NH3+]CC[C@@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001122212403 937913370 /nfs/dbraw/zinc/91/33/70/937913370.db2.gz QIHYDVBWVZRDHQ-CYBMUJFWSA-N 1 0 291.351 1.725 20 5 CDBDRO C[N@@H+]1CC[C@H](Nc2cc(Cl)ncc2[N+](=O)[O-])C1 ZINC001156580906 938388649 /nfs/dbraw/zinc/38/86/49/938388649.db2.gz ZUXKSNODAUUJPC-ZETCQYMHSA-N 1 0 256.693 1.759 20 5 CDBDRO COc1cnc(N(C)[C@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001156955241 938438379 /nfs/dbraw/zinc/43/83/79/938438379.db2.gz GXGKDLBPNQLILF-CYBMUJFWSA-N 1 0 280.328 1.577 20 5 CDBDRO COc1cc(C)nc(NC(=N)SCC[NH3+])c1[N+](=O)[O-] ZINC001157129531 938457205 /nfs/dbraw/zinc/45/72/05/938457205.db2.gz NVNQTCBDKSJXOZ-UHFFFAOYSA-N 1 0 285.329 1.345 20 5 CDBDRO N=C(Nc1ncnc2cccc([N+](=O)[O-])c21)SCC[NH3+] ZINC001157137219 938458824 /nfs/dbraw/zinc/45/88/24/938458824.db2.gz WECQHEFHWAYVIV-UHFFFAOYSA-N 1 0 292.324 1.577 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@H]21 ZINC001157266056 938471594 /nfs/dbraw/zinc/47/15/94/938471594.db2.gz NHWGVIKLTZQEDP-JOYOIKCWSA-N 1 0 280.303 1.659 20 5 CDBDRO CC1([NH3+])CN(C(=O)c2cccc3nc4ccccc4nc32)C1 ZINC001157665156 938529743 /nfs/dbraw/zinc/52/97/43/938529743.db2.gz NWPIPOVHOVEANX-UHFFFAOYSA-N 1 0 292.342 1.956 20 5 CDBDRO C[C@H]1[C@H]([NH3+])CCCN1c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001157740298 938538775 /nfs/dbraw/zinc/53/87/75/938538775.db2.gz HBEJZFPFOSPERM-DTWKUNHWSA-N 1 0 275.312 1.787 20 5 CDBDRO [NH3+]C[C@@]1(F)CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC001157812773 938550126 /nfs/dbraw/zinc/55/01/26/938550126.db2.gz HRRIPEQPZRWVTO-JTQLQIEISA-N 1 0 258.228 1.006 20 5 CDBDRO COc1cc(C)nc(N(C(C)C)[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC001158026068 938575917 /nfs/dbraw/zinc/57/59/17/938575917.db2.gz RVRRLKXLCSINFJ-NSHDSACASA-N 1 0 294.355 1.884 20 5 CDBDRO Cc1c(C)c(N2C[C@H](C)[NH2+][C@@H](C)C2)ncc1[N+](=O)[O-] ZINC001158180613 938591766 /nfs/dbraw/zinc/59/17/66/938591766.db2.gz XSGHPPIFXAFVRK-IUCAKERBSA-N 1 0 264.329 1.793 20 5 CDBDRO CCN(c1ncc([N+](=O)[O-])cc1F)[C@@H]1CCC[NH2+]C1 ZINC001158199550 938594137 /nfs/dbraw/zinc/59/41/37/938594137.db2.gz BDWQMHXQJWVBSO-SECBINFHSA-N 1 0 268.292 1.707 20 5 CDBDRO [NH3+]Cc1cccc2c1cnn2-c1ncc([N+](=O)[O-])cc1F ZINC001158308488 938607376 /nfs/dbraw/zinc/60/73/76/938607376.db2.gz YFRQTUYXMYZRSR-UHFFFAOYSA-N 1 0 287.254 1.927 20 5 CDBDRO COc1cc(N2CCC[C@](C)(C[NH3+])C2)ncc1[N+](=O)[O-] ZINC001158676216 938649400 /nfs/dbraw/zinc/64/94/00/938649400.db2.gz YRCSTZGQDOSQHF-CYBMUJFWSA-N 1 0 280.328 1.564 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H]([NH3+])C3(COC3)C2)n1 ZINC001158761763 938660900 /nfs/dbraw/zinc/66/09/00/938660900.db2.gz FJBSEOFPUVTIMX-SECBINFHSA-N 1 0 298.730 1.116 20 5 CDBDRO [NH3+]Cc1cn(-c2nc(C3CC3)nc(Cl)c2[N+](=O)[O-])cn1 ZINC001162296467 938972683 /nfs/dbraw/zinc/97/26/83/938972683.db2.gz GCTLPJLBVXWTRL-UHFFFAOYSA-N 1 0 294.702 1.560 20 5 CDBDRO COc1nc(C)nc(N[C@@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001162390831 939041893 /nfs/dbraw/zinc/04/18/93/939041893.db2.gz ITMQIGJXOXCXID-RKDXNWHRSA-N 1 0 281.316 1.384 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](Nc2ncnc3[nH]cc([N+](=O)[O-])c32)C1 ZINC001162393303 939042815 /nfs/dbraw/zinc/04/28/15/939042815.db2.gz JXYSOSWNJZUMPH-JGVFFNPUSA-N 1 0 276.300 1.548 20 5 CDBDRO Cc1c[n+]([O-])c(N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001162391796 939043032 /nfs/dbraw/zinc/04/30/32/939043032.db2.gz ODBRJTDXNHXIGZ-ZJUUUORDSA-N 1 0 266.301 1.218 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1Nc1ccc(C[NH3+])c(F)c1 ZINC001162524397 939078299 /nfs/dbraw/zinc/07/82/99/939078299.db2.gz BZOIXOZRFZAMDO-UHFFFAOYSA-N 1 0 292.270 1.878 20 5 CDBDRO COc1cc(NC[C@@]23C[NH2+][C@@H](CO2)C3)cc([N+](=O)[O-])c1C ZINC001163202012 939223892 /nfs/dbraw/zinc/22/38/92/939223892.db2.gz BOOAITIERBNABI-RISCZKNCSA-N 1 0 293.323 1.455 20 5 CDBDRO COc1ccnc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c1[N+](=O)[O-] ZINC001163260966 939234831 /nfs/dbraw/zinc/23/48/31/939234831.db2.gz BVDYPVWWEWGYOC-UTLUCORTSA-N 1 0 278.312 1.408 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)c1 ZINC001163342060 939251500 /nfs/dbraw/zinc/25/15/00/939251500.db2.gz BROUBSNGFCQEFQ-USWWRNFRSA-N 1 0 283.715 1.789 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1N[C@H]1C[NH+]2CCC1CC2 ZINC001163392687 939260971 /nfs/dbraw/zinc/26/09/71/939260971.db2.gz BCIHSNFOZMTTBI-JTQLQIEISA-N 1 0 278.312 1.505 20 5 CDBDRO COc1ccnc(N[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC001163772368 939327061 /nfs/dbraw/zinc/32/70/61/939327061.db2.gz LFQCQSOLXUFEOI-MRVPVSSYSA-N 1 0 254.290 1.360 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1cc(F)cc(F)c1[N+](=O)[O-] ZINC001163985428 939372754 /nfs/dbraw/zinc/37/27/54/939372754.db2.gz QCYVZSABSGXMMT-UHFFFAOYSA-N 1 0 268.223 1.826 20 5 CDBDRO C[NH+]1C[C@@H]2CN(c3cnc4ccc([N+](=O)[O-])cc4n3)C[C@H]2C1 ZINC001165147848 939518589 /nfs/dbraw/zinc/51/85/89/939518589.db2.gz KGKJDXWBBWCWBC-GHMZBOCLSA-N 1 0 299.334 1.536 20 5 CDBDRO [NH3+]CC1(F)CCN(c2nc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001165259204 939535226 /nfs/dbraw/zinc/53/52/26/939535226.db2.gz HZNSGEQHDUOHET-UHFFFAOYSA-N 1 0 289.698 1.305 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H]4[NH2+]CC[C@H]43)c2c1 ZINC001165296479 939542102 /nfs/dbraw/zinc/54/21/02/939542102.db2.gz MHAVGZWISYNMIJ-QWHCGFSZSA-N 1 0 285.307 1.479 20 5 CDBDRO O=[N+]([O-])c1cc(N2CCC[C@H]3[NH2+]C[C@@H]32)nc2[nH]ccc21 ZINC001165394792 939558250 /nfs/dbraw/zinc/55/82/50/939558250.db2.gz RFQUWFKTSJHRCS-KOLCDFICSA-N 1 0 273.296 1.412 20 5 CDBDRO Cc1cc(N(C)C2C[NH2+]C2)nc2ccc([N+](=O)[O-])cc12 ZINC001166978548 939666004 /nfs/dbraw/zinc/66/60/04/939666004.db2.gz TVGCVDIFIYMNOM-UHFFFAOYSA-N 1 0 272.308 1.859 20 5 CDBDRO CSc1nc(Cl)nc(N(C)C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001166978120 939666067 /nfs/dbraw/zinc/66/60/67/939666067.db2.gz IQSNNQWGXNTLQX-UHFFFAOYSA-N 1 0 289.748 1.168 20 5 CDBDRO COc1ncc(N(C)c2cc(N)cc[nH+]2)cc1[N+](=O)[O-] ZINC001210137391 940666050 /nfs/dbraw/zinc/66/60/50/940666050.db2.gz XWTDZAGGKZJZDI-UHFFFAOYSA-N 1 0 275.268 1.744 20 5 CDBDRO O=[N+]([O-])C[C@@H](OC[C@@H]1CCC[NH2+]C1)c1cccnc1 ZINC001217867097 941025633 /nfs/dbraw/zinc/02/56/33/941025633.db2.gz XPVHTOHMPWTNDG-DGCLKSJQSA-N 1 0 265.313 1.416 20 5 CDBDRO C[C@@H]1C[C@@H](Oc2ccc(N)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC001218051147 941037805 /nfs/dbraw/zinc/03/78/05/941037805.db2.gz GBAMMVVESSQHEE-SCZZXKLOSA-N 1 0 251.286 1.696 20 5 CDBDRO O=c1cc(O[C@@H]2CCC[NH2+]C2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001218281586 941050624 /nfs/dbraw/zinc/05/06/24/941050624.db2.gz IVLJTPUVHBPURV-SNVBAGLBSA-N 1 0 289.291 1.979 20 5 CDBDRO CCOC(=O)c1cc(CO[C@@H](C)C[N+](C)(C)C)ccn1 ZINC001224131511 941722759 /nfs/dbraw/zinc/72/27/59/941722759.db2.gz YNRTUULBAVCFPB-LBPRGKRZSA-N 1 0 281.376 1.870 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCc1nc(-c2cccnc2)no1 ZINC001224231976 941731833 /nfs/dbraw/zinc/73/18/33/941731833.db2.gz DRQVKKWMIXDBRJ-NSHDSACASA-N 1 0 277.348 1.743 20 5 CDBDRO CCOC(=O)[C@@H]1CC[C@@H](OCCC[N+](C)(C)C)C1 ZINC001224620849 941777411 /nfs/dbraw/zinc/77/74/11/941777411.db2.gz HIHJZDOHOYWATQ-CHWSQXEVSA-N 1 0 258.382 1.831 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224334149 941744357 /nfs/dbraw/zinc/74/43/57/941744357.db2.gz RWQAHFXMPUWLSQ-OAHLLOKOSA-N 1 0 294.351 1.875 20 5 CDBDRO COc1ccc(NC(=O)CO[C@@H](C)C[N+](C)(C)C)cc1 ZINC001224697433 941784329 /nfs/dbraw/zinc/78/43/29/941784329.db2.gz HAURGQGNYNXXSE-LBPRGKRZSA-O 1 0 281.376 1.745 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(c1)CC(=O)N2C ZINC001225422771 941856305 /nfs/dbraw/zinc/85/63/05/941856305.db2.gz XCPOHWMOJPVZMF-LLVKDONJSA-N 1 0 263.361 1.679 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1c(O)cccc1[N+](=O)[O-] ZINC001226333487 941988726 /nfs/dbraw/zinc/98/87/26/941988726.db2.gz KPGKISNMUFPCEV-SECBINFHSA-O 1 0 255.294 1.774 20 5 CDBDRO CC[NH+]1CCC(Oc2ncc([N+](=O)[O-])cn2)CC1 ZINC001226730375 942059518 /nfs/dbraw/zinc/05/95/18/942059518.db2.gz DUXBPGVXPOQEMQ-UHFFFAOYSA-N 1 0 252.274 1.248 20 5 CDBDRO COCC[NH+]1CCC(Oc2ncc([N+](=O)[O-])cc2C)CC1 ZINC001226761506 942065264 /nfs/dbraw/zinc/06/52/64/942065264.db2.gz JBMIROPJMNNMRM-UHFFFAOYSA-N 1 0 295.339 1.788 20 5 CDBDRO COc1cnnc(O[C@@H](C)C[N+](C)(C)C)c1Cl ZINC001227257515 942159258 /nfs/dbraw/zinc/15/92/58/942159258.db2.gz FNOWABMIRLSRJH-QMMMGPOBSA-N 1 0 260.745 1.612 20 5 CDBDRO C[N@@H+]1CCC[C@@H](Oc2cncc([N+](=O)[O-])c2)CC1 ZINC001227988296 942252389 /nfs/dbraw/zinc/25/23/89/942252389.db2.gz QLUSEOFNGMAYJF-LLVKDONJSA-N 1 0 251.286 1.853 20 5 CDBDRO CCc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001228252640 942284465 /nfs/dbraw/zinc/28/44/65/942284465.db2.gz XFGLNMFMXRHZLJ-CYBMUJFWSA-N 1 0 266.361 1.612 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2cc(Cl)cnc2[N+](=O)[O-])C1 ZINC001233713247 943645948 /nfs/dbraw/zinc/64/59/48/943645948.db2.gz QAOPPCWXFBHSPJ-MRVPVSSYSA-N 1 0 257.677 1.726 20 5 CDBDRO COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1CCC[N@H+](C)C1 ZINC001233983655 943707216 /nfs/dbraw/zinc/70/72/16/943707216.db2.gz WRHQQQRVLFZZEA-ZDUSSCGKSA-N 1 0 294.351 1.987 20 5 CDBDRO COc1cc(C)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(C)c1 ZINC001234273545 943789783 /nfs/dbraw/zinc/78/97/83/943789783.db2.gz BWMQGHJNMAHROC-CYBMUJFWSA-N 1 0 296.387 1.675 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(O[C@@H]2CCc3nccn3C2)n1 ZINC001234882135 943967065 /nfs/dbraw/zinc/96/70/65/943967065.db2.gz VRAIZXSDROPSEW-SECBINFHSA-N 1 0 290.279 1.589 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261632305 946203227 /nfs/dbraw/zinc/20/32/27/946203227.db2.gz XCOQMHVGHCACMG-SECBINFHSA-N 1 0 278.312 1.228 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1COCCN1C ZINC001254540167 947517636 /nfs/dbraw/zinc/51/76/36/947517636.db2.gz PKZHUTOJJNIWAA-OCCSQVGLSA-N 1 0 293.367 1.446 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001254551828 947520698 /nfs/dbraw/zinc/52/06/98/947520698.db2.gz GGWMTGBBRAUKCP-ZLDLUXBVSA-N 1 0 294.351 1.201 20 5 CDBDRO COC[C@H](C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254566420 947528932 /nfs/dbraw/zinc/52/89/32/947528932.db2.gz JXWMULROEVMAND-CABZTGNLSA-N 1 0 250.298 1.687 20 5 CDBDRO CCOC(=O)CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254569531 947530690 /nfs/dbraw/zinc/53/06/90/947530690.db2.gz ZDLWGXNMCFLLDE-LBPRGKRZSA-N 1 0 278.308 1.605 20 5 CDBDRO CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254574909 947533106 /nfs/dbraw/zinc/53/31/06/947533106.db2.gz LZPACSNFSMURQP-BPLDGKMQSA-N 1 0 292.335 1.456 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCC[C@@H](O)C1)C2 ZINC001254573781 947533441 /nfs/dbraw/zinc/53/34/41/947533441.db2.gz CFGBXAZYVKSYRL-KCQAQPDRSA-N 1 0 276.336 1.955 20 5 CDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254582002 947540491 /nfs/dbraw/zinc/54/04/91/947540491.db2.gz RPYMUZVLBRNONF-KWCYVHTRSA-N 1 0 276.336 1.811 20 5 CDBDRO C[N@@H+]1CCCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254596691 947546358 /nfs/dbraw/zinc/54/63/58/947546358.db2.gz FFVQOTOAQRMRBV-OAHLLOKOSA-N 1 0 275.352 1.700 20 5 CDBDRO [NH3+][C@H]1CC[C@@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001248327370 949018978 /nfs/dbraw/zinc/01/89/78/949018978.db2.gz HGXMNLODYFCCMY-BQBZGAKWSA-N 1 0 279.231 1.384 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001327830467 955067322 /nfs/dbraw/zinc/06/73/22/955067322.db2.gz QXRCINPHOVNJHZ-JTQLQIEISA-N 1 0 292.339 1.270 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001330507193 956456127 /nfs/dbraw/zinc/45/61/27/956456127.db2.gz RYPYXITWUOPYRP-SKDRFNHKSA-N 1 0 292.339 1.446 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCC[NH+]1CC=CC1 ZINC001319326562 958499463 /nfs/dbraw/zinc/49/94/63/958499463.db2.gz LUPVDHBFBVQAFU-UHFFFAOYSA-N 1 0 275.308 1.125 20 5 CDBDRO C[C@]1(CO)CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001319965601 958815963 /nfs/dbraw/zinc/81/59/63/958815963.db2.gz SPUXTCLIXAPVHM-CABCVRRESA-N 1 0 294.351 1.723 20 5 CDBDRO C[C@@H](CNc1cc(N)c([N+](=O)[O-])cn1)C[NH+]1CCCC1 ZINC001336473088 960360287 /nfs/dbraw/zinc/36/02/87/960360287.db2.gz NOYWWHUNTLMIJJ-JTQLQIEISA-N 1 0 279.344 1.716 20 5 CDBDRO [NH3+]C1CC2(C1)CC(NC(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC001341885614 963571134 /nfs/dbraw/zinc/57/11/34/963571134.db2.gz IANZJIBSFXRFAP-UHFFFAOYSA-N 1 0 275.308 1.595 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001342265851 963691475 /nfs/dbraw/zinc/69/14/75/963691475.db2.gz SIBQTYFSAXRABQ-ZWKOPEQDSA-N 1 0 277.324 1.422 20 5 CDBDRO C[C@H]([NH3+])CN(C)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001342336626 963714051 /nfs/dbraw/zinc/71/40/51/963714051.db2.gz CRSSMCPDAQOINZ-ZWKOPEQDSA-N 1 0 277.324 1.504 20 5 CDBDRO C[C@H](NC(=O)[C@@]1(C)CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001342588042 963771914 /nfs/dbraw/zinc/77/19/14/963771914.db2.gz CHHRHZOOYCSCIG-HZMBPMFUSA-N 1 0 277.324 1.772 20 5 CDBDRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1[N+](=O)[O-])C2 ZINC001343001076 963882025 /nfs/dbraw/zinc/88/20/25/963882025.db2.gz GUXWHUARYAMWSG-DCAQKATOSA-N 1 0 275.308 1.547 20 5 CDBDRO C[C@H](CNC(=O)CC(C)(C)[NH3+])c1ccccc1[N+](=O)[O-] ZINC001345323373 964667338 /nfs/dbraw/zinc/66/73/38/964667338.db2.gz BCZYIJUPKYJOQZ-SNVBAGLBSA-N 1 0 279.340 1.942 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH2+]C)C1 ZINC001349140040 966274990 /nfs/dbraw/zinc/27/49/90/966274990.db2.gz ZBEJWEUFAXPQIO-VIFPVBQESA-N 1 0 278.312 1.070 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1NC ZINC001349402983 966339138 /nfs/dbraw/zinc/33/91/38/966339138.db2.gz GUFCPTUXOIGXHT-UHFFFAOYSA-N 1 0 280.328 1.366 20 5 CDBDRO CC[NH2+][C@H](C)C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001523389382 970707206 /nfs/dbraw/zinc/70/72/06/970707206.db2.gz NPOKKJIDDWNZEZ-GHMZBOCLSA-N 1 0 279.340 1.813 20 5 CDBDRO Cc1c(C(=O)NC2CC3(CC([NH3+])C3)C2)cccc1[N+](=O)[O-] ZINC001515271616 976417140 /nfs/dbraw/zinc/41/71/40/976417140.db2.gz OGLFWGCLZLUFAX-UHFFFAOYSA-N 1 0 289.335 1.903 20 5 CDBDRO Cc1cc(NC(=O)N2CCC([NH3+])CC2)cc([N+](=O)[O-])c1 ZINC001574140885 1170895226 /nfs/dbraw/zinc/89/52/26/1170895226.db2.gz FMHZUIDMFSUOBW-UHFFFAOYSA-N 1 0 278.312 1.858 20 5 CDBDRO C[C@@H]1CCC[C@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000300330012 342466724 /nfs/dbraw/zinc/46/67/24/342466724.db2.gz WYLJVSKMXKAACR-MDZLAQPJSA-N 1 0 282.344 1.178 20 5 CDBDRO C[C@@H]1CN(c2cccnc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000590146304 342522935 /nfs/dbraw/zinc/52/29/35/342522935.db2.gz TXJGWUOGSZMWRR-AOOOYVTPSA-N 1 0 250.302 1.519 20 5 CDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000590402873 342544055 /nfs/dbraw/zinc/54/40/55/342544055.db2.gz IVAQYYNIYFMVMT-ZANVPECISA-N 1 0 295.314 1.899 20 5 CDBDRO COc1cccc(NCC[N@@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000599199642 343979851 /nfs/dbraw/zinc/97/98/51/343979851.db2.gz OFRKNOSZBVDWPN-JTQLQIEISA-N 1 0 281.312 1.082 20 5 CDBDRO Cc1c(CNC(=O)N[C@H](C)C[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000564935341 365551322 /nfs/dbraw/zinc/55/13/22/365551322.db2.gz ZVGHAVUQEDWJQY-VHSXEESVSA-N 1 0 294.355 1.828 20 5 CDBDRO C[C@@H]1C[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572751402 361739818 /nfs/dbraw/zinc/73/98/18/361739818.db2.gz HASPXIUBOBDINZ-IJLUTSLNSA-N 1 0 280.324 1.580 20 5 CDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000590567122 342576186 /nfs/dbraw/zinc/57/61/86/342576186.db2.gz XOQSUMKLBJOFDP-IUCAKERBSA-N 1 0 267.285 1.352 20 5 CDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000590569896 342576949 /nfs/dbraw/zinc/57/69/49/342576949.db2.gz UOHCFQFQOJUYCZ-GXSJLCMTSA-N 1 0 250.302 1.519 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000590569899 342577013 /nfs/dbraw/zinc/57/70/13/342577013.db2.gz UOHCFQFQOJUYCZ-MWLCHTKSSA-N 1 0 250.302 1.519 20 5 CDBDRO C[C@]1(O)CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000124888126 187159476 /nfs/dbraw/zinc/15/94/76/187159476.db2.gz MDXPTPFBNZYNCZ-AWEZNQCLSA-N 1 0 264.325 1.984 20 5 CDBDRO C[C@H]1CC[NH2+][C@H](C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000127121240 342066767 /nfs/dbraw/zinc/06/67/67/342066767.db2.gz DBDPIQLGRZTXNQ-GWCFXTLKSA-N 1 0 277.324 1.599 20 5 CDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccsc1[N+](=O)[O-] ZINC000609289044 342100441 /nfs/dbraw/zinc/10/04/41/342100441.db2.gz OXSZUFOMRRXLLA-JTQLQIEISA-N 1 0 284.385 1.704 20 5 CDBDRO COc1cc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)ccc1[N+](=O)[O-] ZINC000591438610 342632007 /nfs/dbraw/zinc/63/20/07/342632007.db2.gz NVCAXFARBIXVSW-CMPLNLGQSA-N 1 0 277.324 1.792 20 5 CDBDRO C[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000591243902 342622536 /nfs/dbraw/zinc/62/25/36/342622536.db2.gz OOSOGZUBKNXKIX-ZYHUDNBSSA-N 1 0 277.324 1.772 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH2+]C1CC1 ZINC000591270386 342623616 /nfs/dbraw/zinc/62/36/16/342623616.db2.gz FNBXYKONESKELH-UHFFFAOYSA-N 1 0 294.311 1.477 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591270312 342623718 /nfs/dbraw/zinc/62/37/18/342623718.db2.gz BWLVPOBKMZHZBA-ZWNOBZJWSA-N 1 0 290.323 1.811 20 5 CDBDRO C[C@@H](NC(=O)[C@H]1[NH2+]CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000591667921 342641040 /nfs/dbraw/zinc/64/10/40/342641040.db2.gz GGCXUYIOIUCBTN-BXKDBHETSA-N 1 0 277.324 1.770 20 5 CDBDRO CC[NH2+]CCCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000592289631 342683662 /nfs/dbraw/zinc/68/36/62/342683662.db2.gz PGTCTWIXYQPURY-UHFFFAOYSA-N 1 0 295.339 1.262 20 5 CDBDRO COC(=O)c1ccc(OCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592169597 342671842 /nfs/dbraw/zinc/67/18/42/342671842.db2.gz YSQAGACLNNVGJU-UHFFFAOYSA-N 1 0 294.307 1.760 20 5 CDBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000592427564 342694794 /nfs/dbraw/zinc/69/47/94/342694794.db2.gz CFFWWVXDMVVQOG-BPJJOFIESA-N 1 0 261.325 1.902 20 5 CDBDRO CC1(C)C[NH2+]CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000592473850 342698451 /nfs/dbraw/zinc/69/84/51/342698451.db2.gz QZNJTCMHWUQABG-UHFFFAOYSA-N 1 0 279.340 1.657 20 5 CDBDRO CC(C)O[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000593055896 342760065 /nfs/dbraw/zinc/76/00/65/342760065.db2.gz TVAAEXVIFCUHBZ-GFCCVEGCSA-N 1 0 282.344 1.681 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(C3CCC3)CC2)c1 ZINC000593079913 342763119 /nfs/dbraw/zinc/76/31/19/342763119.db2.gz INGYORXIESDJPT-GFCCVEGCSA-N 1 0 280.328 1.075 20 5 CDBDRO COc1ccc(OCC[N@H+](C)[C@H](C)CCO)c([N+](=O)[O-])c1 ZINC000593107838 342768999 /nfs/dbraw/zinc/76/89/99/342768999.db2.gz OWECWFFZNZNEBF-LLVKDONJSA-N 1 0 298.339 1.685 20 5 CDBDRO CC[NH2+]Cc1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000313563029 342206148 /nfs/dbraw/zinc/20/61/48/342206148.db2.gz UJZLCCBOTNJXNN-UHFFFAOYSA-N 1 0 279.275 1.483 20 5 CDBDRO C[NH+](C)CCCCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593465828 342803771 /nfs/dbraw/zinc/80/37/71/342803771.db2.gz UUNLDWHIZIWANF-UHFFFAOYSA-N 1 0 297.330 1.734 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000162240245 361962246 /nfs/dbraw/zinc/96/22/46/361962246.db2.gz AUBFDWBFCQAYNK-YUMQZZPRSA-N 1 0 269.326 1.656 20 5 CDBDRO C[C@H]1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235708483 361998891 /nfs/dbraw/zinc/99/88/91/361998891.db2.gz IDBLXIDDPJHRCW-UWVGGRQHSA-N 1 0 263.297 1.921 20 5 CDBDRO O=C([C@@H]1CCC[NH2+]CC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000593910190 342855541 /nfs/dbraw/zinc/85/55/41/342855541.db2.gz SEGWGZAGNAKWGT-LLVKDONJSA-N 1 0 289.335 1.874 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C[C@H](C)O)C1CC1 ZINC000594061970 342869957 /nfs/dbraw/zinc/86/99/57/342869957.db2.gz FCOLTGOLQVINKD-JTQLQIEISA-N 1 0 280.324 1.949 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000594425101 342904196 /nfs/dbraw/zinc/90/41/96/342904196.db2.gz JWKVYPMATIAXLV-GXTWGEPZSA-N 1 0 275.308 1.923 20 5 CDBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000609383442 342264679 /nfs/dbraw/zinc/26/46/79/342264679.db2.gz NZQYLVNJAQMSRG-CYBMUJFWSA-N 1 0 289.335 1.809 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)C(F)F ZINC000594496706 342914216 /nfs/dbraw/zinc/91/42/16/342914216.db2.gz RXOVIHMSSQNKSI-GXSJLCMTSA-N 1 0 272.251 1.798 20 5 CDBDRO COc1ccc(C[NH2+]CC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000113310341 539105714 /nfs/dbraw/zinc/10/57/14/539105714.db2.gz DKTXWJQQDIRBDW-UHFFFAOYSA-N 1 0 296.323 1.235 20 5 CDBDRO CC(C)([NH3+])c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594652041 342933381 /nfs/dbraw/zinc/93/33/81/342933381.db2.gz JOZVSVDDEUYGTJ-UHFFFAOYSA-N 1 0 263.257 1.075 20 5 CDBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000127757708 342284577 /nfs/dbraw/zinc/28/45/77/342284577.db2.gz VSTONMBOIFYKCI-LLVKDONJSA-N 1 0 282.344 1.379 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)CC(N)=O ZINC000595021112 342996283 /nfs/dbraw/zinc/99/62/83/342996283.db2.gz PRNLUOICUOFMFS-DTWKUNHWSA-N 1 0 281.312 1.518 20 5 CDBDRO CC[N@@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074749727 342303853 /nfs/dbraw/zinc/30/38/53/342303853.db2.gz UTQJZZCAWOYHCV-UHFFFAOYSA-N 1 0 264.329 1.830 20 5 CDBDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000401961557 349729021 /nfs/dbraw/zinc/72/90/21/349729021.db2.gz XBKGCPVBVQGFOD-PWSUYJOCSA-N 1 0 250.298 1.904 20 5 CDBDRO C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])s2)[C@H](C)C1 ZINC000619491834 349746605 /nfs/dbraw/zinc/74/66/05/349746605.db2.gz WEDFJAMPICEXTR-NXEZZACHSA-N 1 0 285.369 1.548 20 5 CDBDRO CC(C)C[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000074995489 342308563 /nfs/dbraw/zinc/30/85/63/342308563.db2.gz NFQUZXGZCGHSAP-OCCSQVGLSA-N 1 0 296.371 1.520 20 5 CDBDRO CC[C@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075616208 342313462 /nfs/dbraw/zinc/31/34/62/342313462.db2.gz LLTBWCGTLSXBCJ-AAEUAGOBSA-N 1 0 282.344 1.417 20 5 CDBDRO COCC[C@@](C)(O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000230249977 349776122 /nfs/dbraw/zinc/77/61/22/349776122.db2.gz ZCMFVMLPBYJTEK-CQSZACIVSA-N 1 0 282.340 1.514 20 5 CDBDRO Cc1noc(CN(C)[C@H](CO)C(C)(C)C)c1[N+](=O)[O-] ZINC000595388523 343053067 /nfs/dbraw/zinc/05/30/67/343053067.db2.gz GRNQLKBBDACDKM-SNVBAGLBSA-N 1 0 271.317 1.730 20 5 CDBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595343824 343043684 /nfs/dbraw/zinc/04/36/84/343043684.db2.gz FBOPODULXQFQDK-VIFPVBQESA-N 1 0 283.303 1.548 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000595933627 343185509 /nfs/dbraw/zinc/18/55/09/343185509.db2.gz IYGYLCVRBDJIPA-SNVBAGLBSA-N 1 0 263.297 1.482 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000595983680 343211045 /nfs/dbraw/zinc/21/10/45/343211045.db2.gz QHKCFKSKLSLPSY-SSDOTTSWSA-N 1 0 255.249 1.072 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000595983761 343211159 /nfs/dbraw/zinc/21/11/59/343211159.db2.gz RNZMNYBGZOXJSN-VIFPVBQESA-N 1 0 283.353 1.411 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000595916353 343190721 /nfs/dbraw/zinc/19/07/21/343190721.db2.gz QLANXBOMUMNEHW-NSHDSACASA-N 1 0 265.313 1.551 20 5 CDBDRO CC(C)[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)[NH+]1CCCC1 ZINC000596070000 343225085 /nfs/dbraw/zinc/22/50/85/343225085.db2.gz MRPAHWRDQZIAQR-GFCCVEGCSA-N 1 0 293.371 1.526 20 5 CDBDRO C[NH+]1CCC(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000073100358 362144115 /nfs/dbraw/zinc/14/41/15/362144115.db2.gz XZTNBQNHZPRDJR-UHFFFAOYSA-N 1 0 277.324 1.553 20 5 CDBDRO CN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000596142609 343242294 /nfs/dbraw/zinc/24/22/94/343242294.db2.gz UEVLNKYZAMKDMJ-LLVKDONJSA-N 1 0 292.339 1.224 20 5 CDBDRO Cc1cc(NC(=O)N[C@@]2(C)CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000596122161 343248392 /nfs/dbraw/zinc/24/83/92/343248392.db2.gz LTYTWURFQGZVQU-ZDUSSCGKSA-N 1 0 278.312 1.777 20 5 CDBDRO C[C@@H](CCNc1ncnc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000596433823 343320361 /nfs/dbraw/zinc/32/03/61/343320361.db2.gz ULZFYDNMFNCROC-JTQLQIEISA-N 1 0 289.339 1.712 20 5 CDBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1ncc([N+](=O)[O-])cn1 ZINC000596487314 343328890 /nfs/dbraw/zinc/32/88/90/343328890.db2.gz GJJDGDWXIKJKOC-NSHDSACASA-N 1 0 279.344 1.917 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2N[C@H]2CC[NH2+]C2)n1 ZINC000596647772 343370636 /nfs/dbraw/zinc/37/06/36/343370636.db2.gz BGAWBDCGGXPTHZ-TUAOUCFPSA-N 1 0 279.344 1.227 20 5 CDBDRO C[N@@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000271041449 529772844 /nfs/dbraw/zinc/77/28/44/529772844.db2.gz NCNNMVLVLAFEGG-UHFFFAOYSA-N 1 0 293.367 2.000 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000597859708 343648513 /nfs/dbraw/zinc/64/85/13/343648513.db2.gz FZSIALSWNLCZQD-VIFPVBQESA-N 1 0 295.343 1.168 20 5 CDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000598342460 343770891 /nfs/dbraw/zinc/77/08/91/343770891.db2.gz ISGBXGLPPFWTCN-LBPRGKRZSA-N 1 0 277.324 1.809 20 5 CDBDRO CCc1nn(C)c(NCC2([NH2+]C)CCC2)c1[N+](=O)[O-] ZINC000598632454 343849617 /nfs/dbraw/zinc/84/96/17/343849617.db2.gz DBCKFWHZKGKNFP-UHFFFAOYSA-N 1 0 267.333 1.445 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598684708 343864938 /nfs/dbraw/zinc/86/49/38/343864938.db2.gz XTDDDKVLCGETCO-SWLSCSKDSA-N 1 0 291.351 1.917 20 5 CDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCCCC1 ZINC000173449823 529944218 /nfs/dbraw/zinc/94/42/18/529944218.db2.gz ALOKBIMBOGQUHX-CQSZACIVSA-N 1 0 296.371 1.664 20 5 CDBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C[NH2+]1 ZINC000598914499 343919538 /nfs/dbraw/zinc/91/95/38/343919538.db2.gz GOSYOYNETMJIPS-BDAKNGLRSA-N 1 0 296.302 1.948 20 5 CDBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[C@H]1[NH3+] ZINC000598916307 343920141 /nfs/dbraw/zinc/92/01/41/343920141.db2.gz XRFJUVSZROJJPY-GZMMTYOYSA-N 1 0 296.302 1.935 20 5 CDBDRO Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)ccc1[N+](=O)[O-] ZINC000599084740 343950959 /nfs/dbraw/zinc/95/09/59/343950959.db2.gz WSDGLUDYBJQEPO-IMRBUKKESA-N 1 0 261.325 1.899 20 5 CDBDRO CCC(O)(CC)C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000599673119 344114065 /nfs/dbraw/zinc/11/40/65/344114065.db2.gz KNFYVHCVWSYRKC-UHFFFAOYSA-N 1 0 297.355 1.239 20 5 CDBDRO Cc1ccc(NC(=O)NC[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000599585248 344094070 /nfs/dbraw/zinc/09/40/70/344094070.db2.gz DPIHWOGLFAGMRC-LLVKDONJSA-N 1 0 294.311 1.013 20 5 CDBDRO C[C@H]1CC(F)(F)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000599621845 344097364 /nfs/dbraw/zinc/09/73/64/344097364.db2.gz HUJQAIJUKVOFBV-VIFPVBQESA-N 1 0 274.271 1.911 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000599988815 344160590 /nfs/dbraw/zinc/16/05/90/344160590.db2.gz NJFBGRXRMYGBPV-ITGUQSILSA-N 1 0 275.308 1.227 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601971327 344299980 /nfs/dbraw/zinc/29/99/80/344299980.db2.gz AHOLIJNIEKLCIZ-PHIMTYICSA-N 1 0 266.272 1.812 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000602597601 344503476 /nfs/dbraw/zinc/50/34/76/344503476.db2.gz VWIZRJJCNMVLOS-MWLCHTKSSA-N 1 0 263.297 1.465 20 5 CDBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@]2(CC[NH2+]C2)C1 ZINC000602483710 344448120 /nfs/dbraw/zinc/44/81/20/344448120.db2.gz KLBGXSPFJOGUBL-AWEZNQCLSA-N 1 0 293.298 1.560 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602487959 344450043 /nfs/dbraw/zinc/45/00/43/344450043.db2.gz XLWZOABCUZAJRS-DTWKUNHWSA-N 1 0 281.287 1.543 20 5 CDBDRO Cc1cc(C(=O)N2CC[NH2+]C[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000602528497 344455361 /nfs/dbraw/zinc/45/53/61/344455361.db2.gz NIPAJDLATYTMQL-AWEZNQCLSA-N 1 0 291.351 1.973 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2nnc3n2CCC3)cc1 ZINC000602511610 344458898 /nfs/dbraw/zinc/45/88/98/344458898.db2.gz PCFYQNQPARJBRV-UHFFFAOYSA-N 1 0 287.323 1.465 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000602594427 344480480 /nfs/dbraw/zinc/48/04/80/344480480.db2.gz BUUMMCYCPOLKSI-WDEREUQCSA-N 1 0 293.323 1.312 20 5 CDBDRO CCc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000602592517 344480965 /nfs/dbraw/zinc/48/09/65/344480965.db2.gz RZACSFXIVRSTBY-BETUJISGSA-N 1 0 289.335 1.734 20 5 CDBDRO C[C@H](CO[C@H]1CCOC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602566946 344483276 /nfs/dbraw/zinc/48/32/76/344483276.db2.gz GNVHWPOQKGEKCM-DOMZBBRYSA-N 1 0 294.351 1.921 20 5 CDBDRO CO[C@@H](C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602626533 344520353 /nfs/dbraw/zinc/52/03/53/344520353.db2.gz KVJQRHAIRIMKMM-NSHDSACASA-N 1 0 294.355 1.583 20 5 CDBDRO CCN1CCC([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602779787 344595589 /nfs/dbraw/zinc/59/55/89/344595589.db2.gz QZNKHONIYTXASA-UHFFFAOYSA-N 1 0 295.387 1.516 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H]1[C@H](C)O ZINC000602775612 344578199 /nfs/dbraw/zinc/57/81/99/344578199.db2.gz KIBCSMAJADFHHF-CMPLNLGQSA-N 1 0 282.344 1.335 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000602811947 344603596 /nfs/dbraw/zinc/60/35/96/344603596.db2.gz QBAADPBRKTUTTR-JQWIXIFHSA-N 1 0 282.344 1.504 20 5 CDBDRO CO[C@](C)([C@H](C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602843885 344622566 /nfs/dbraw/zinc/62/25/66/344622566.db2.gz KXLLHZIONRHSSZ-IINYFYTJSA-N 1 0 296.371 1.893 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CSCC[NH2+]1 ZINC000603420235 344799691 /nfs/dbraw/zinc/79/96/91/344799691.db2.gz QYEPGVIBAAGGKU-VIFPVBQESA-N 1 0 285.373 1.237 20 5 CDBDRO CC(C)[NH2+][C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000604539833 344899352 /nfs/dbraw/zinc/89/93/52/344899352.db2.gz LGZFGMYXGLIPEB-LLVKDONJSA-N 1 0 264.329 1.957 20 5 CDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)C1CC[NH+](C)CC1 ZINC000604552361 344902802 /nfs/dbraw/zinc/90/28/02/344902802.db2.gz KBWATXMEQSNAFN-JTQLQIEISA-N 1 0 294.355 1.393 20 5 CDBDRO CCNC(=O)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000293205600 362540300 /nfs/dbraw/zinc/54/03/00/362540300.db2.gz IZHPBXQDGDUFJJ-ZDUSSCGKSA-N 1 0 279.340 1.845 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000129249310 345278306 /nfs/dbraw/zinc/27/83/06/345278306.db2.gz ZBRYQAWCTBZTDZ-WDEREUQCSA-N 1 0 277.324 1.855 20 5 CDBDRO O=C(NCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000151514126 345685188 /nfs/dbraw/zinc/68/51/88/345685188.db2.gz WGZWZGUMXABZCX-UHFFFAOYSA-N 1 0 283.715 1.730 20 5 CDBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCOC1 ZINC000610485236 346297221 /nfs/dbraw/zinc/29/72/21/346297221.db2.gz WEEONLSICJRKLE-NSHDSACASA-N 1 0 268.317 1.150 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000584712087 346411148 /nfs/dbraw/zinc/41/11/48/346411148.db2.gz CBFPWPGYVFURES-MNOVXSKESA-N 1 0 294.330 1.955 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](CC(C)C)CC1 ZINC000611442833 346788845 /nfs/dbraw/zinc/78/88/45/346788845.db2.gz JCXQBHXYRRQZLP-UHFFFAOYSA-N 1 0 295.387 1.373 20 5 CDBDRO CN1CCC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000611509112 346800289 /nfs/dbraw/zinc/80/02/89/346800289.db2.gz JKGPWVZSIUUEFP-CYBMUJFWSA-N 1 0 277.324 1.348 20 5 CDBDRO CC(C)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000344448382 362787157 /nfs/dbraw/zinc/78/71/57/362787157.db2.gz VXHLBFJFDNLQSQ-UHFFFAOYSA-N 1 0 294.355 1.536 20 5 CDBDRO COc1cc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000613286023 347660747 /nfs/dbraw/zinc/66/07/47/347660747.db2.gz UXRYSNJLINFKCF-GHMZBOCLSA-N 1 0 295.314 1.394 20 5 CDBDRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273344908 192120505 /nfs/dbraw/zinc/12/05/05/192120505.db2.gz BOYVEXBXKDWZJH-MRVPVSSYSA-N 1 0 282.275 1.560 20 5 CDBDRO CC(C)[NH+](CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000183061424 535075803 /nfs/dbraw/zinc/07/58/03/535075803.db2.gz PJZHJPLHNWGXAT-UHFFFAOYSA-N 1 0 267.329 1.875 20 5 CDBDRO C[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000057838234 348848341 /nfs/dbraw/zinc/84/83/41/348848341.db2.gz XTAVLPYAUWNHDN-NSHDSACASA-N 1 0 296.346 1.782 20 5 CDBDRO CC[NH+](CC)CC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000059584463 348880597 /nfs/dbraw/zinc/88/05/97/348880597.db2.gz LWFSBCCCRXGCPP-UHFFFAOYSA-N 1 0 294.355 1.465 20 5 CDBDRO C[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000065866319 348966988 /nfs/dbraw/zinc/96/69/88/348966988.db2.gz ADHUVFPUJFGGHD-JTQLQIEISA-N 1 0 280.328 1.073 20 5 CDBDRO COC[C@@H](O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090950234 180072113 /nfs/dbraw/zinc/07/21/13/180072113.db2.gz AFNWTMZGHKEQAV-GWCFXTLKSA-N 1 0 268.313 1.643 20 5 CDBDRO CCc1nn(C)c(N[C@@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000091559479 180191649 /nfs/dbraw/zinc/19/16/49/180191649.db2.gz DUNLRZARCBPOTM-VIFPVBQESA-N 1 0 269.349 1.643 20 5 CDBDRO COc1cc(OC[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000111054842 350380992 /nfs/dbraw/zinc/38/09/92/350380992.db2.gz FIVCLAZLPRDWMA-SECBINFHSA-N 1 0 252.270 1.592 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC3(C2)CCOCC3)c1 ZINC000364345854 362977340 /nfs/dbraw/zinc/97/73/40/362977340.db2.gz NJWAPBYCZRFWCJ-UHFFFAOYSA-N 1 0 280.328 1.294 20 5 CDBDRO Cc1ccc(C(=O)N2CCCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000313344728 350834459 /nfs/dbraw/zinc/83/44/59/350834459.db2.gz QFFGOXMPDDDXEW-GFCCVEGCSA-N 1 0 293.323 1.093 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000124868718 351377720 /nfs/dbraw/zinc/37/77/20/351377720.db2.gz WZRVVBHWBVVXCM-UHFFFAOYSA-N 1 0 266.301 1.668 20 5 CDBDRO C[C@H](CCCC[NH3+])NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000292091223 198159943 /nfs/dbraw/zinc/15/99/43/198159943.db2.gz NEYULZWERKGTLU-LLVKDONJSA-N 1 0 279.340 1.771 20 5 CDBDRO C[C@H](CCCC[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000292140238 198179139 /nfs/dbraw/zinc/17/91/39/198179139.db2.gz SLTXXTABKHOGRA-MRVPVSSYSA-N 1 0 298.318 1.563 20 5 CDBDRO C[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000155040041 188178654 /nfs/dbraw/zinc/17/86/54/188178654.db2.gz JZUREHKCZNTPNQ-NSHDSACASA-N 1 0 292.339 1.217 20 5 CDBDRO Cc1cc(=O)n(CC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000155917037 188235576 /nfs/dbraw/zinc/23/55/76/188235576.db2.gz ULJFMIMWZUALLR-UHFFFAOYSA-N 1 0 279.340 1.797 20 5 CDBDRO CSc1ccc(C(=O)N2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000157645329 188329576 /nfs/dbraw/zinc/32/95/76/188329576.db2.gz UXUVJHJDAKHDCN-UHFFFAOYSA-N 1 0 295.364 1.880 20 5 CDBDRO C[NH2+]CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000063159343 363236833 /nfs/dbraw/zinc/23/68/33/363236833.db2.gz INRIZDYQRGOYDJ-UHFFFAOYSA-N 1 0 277.324 1.666 20 5 CDBDRO CSc1ccc(C(=O)NCCC[NH3+])cc1[N+](=O)[O-] ZINC000160116419 188456142 /nfs/dbraw/zinc/45/61/42/188456142.db2.gz JWPSECFZFCBOCT-UHFFFAOYSA-N 1 0 269.326 1.395 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1[N+](=O)[O-] ZINC000248640437 363302981 /nfs/dbraw/zinc/30/29/81/363302981.db2.gz RETUBBALKJXZKQ-RWMBFGLXSA-N 1 0 289.335 1.713 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1=CC[NH2+]CC1 ZINC000169288106 188656008 /nfs/dbraw/zinc/65/60/08/188656008.db2.gz MFGVMRXGAFPWGO-UHFFFAOYSA-N 1 0 275.308 1.553 20 5 CDBDRO Cc1cnc(NCC2=CC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000271769229 191315330 /nfs/dbraw/zinc/31/53/30/191315330.db2.gz FZKHYVQVCMUATD-UHFFFAOYSA-N 1 0 262.313 1.972 20 5 CDBDRO Cc1cc(C(=O)NCC2=CC[N@H+](C)CC2)cc([N+](=O)[O-])c1 ZINC000271824859 191350064 /nfs/dbraw/zinc/35/00/64/191350064.db2.gz GNIOZQZIJYNYAT-UHFFFAOYSA-N 1 0 289.335 1.895 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272454679 191730092 /nfs/dbraw/zinc/73/00/92/191730092.db2.gz NUYQXQLYQYLXAJ-VIFPVBQESA-N 1 0 280.328 1.247 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000336808553 356272048 /nfs/dbraw/zinc/27/20/48/356272048.db2.gz CFDYIRALIFMWDV-SECBINFHSA-N 1 0 266.301 1.844 20 5 CDBDRO CCCN(CC[NH+]1CCCC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000286267864 356240031 /nfs/dbraw/zinc/24/00/31/356240031.db2.gz HCTBLTZHAXQACD-UHFFFAOYSA-N 1 0 294.359 1.279 20 5 CDBDRO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCOCCO ZINC000337462371 538440089 /nfs/dbraw/zinc/44/00/89/538440089.db2.gz KSQOJOKDHDXBEK-ALCCZGGFSA-N 1 0 294.351 1.939 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163637776 357001998 /nfs/dbraw/zinc/00/19/98/357001998.db2.gz CBHBLSZUIRRTSA-KOLCDFICSA-N 1 0 295.314 1.791 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181020919 357303822 /nfs/dbraw/zinc/30/38/22/357303822.db2.gz GMTAPSOKGDEKSD-JTQLQIEISA-N 1 0 294.355 1.637 20 5 CDBDRO C[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181933834 357391457 /nfs/dbraw/zinc/39/14/57/357391457.db2.gz VWTMICHBUMYWPX-RYUDHWBXSA-N 1 0 280.324 1.819 20 5 CDBDRO COc1cccc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000566210876 357435334 /nfs/dbraw/zinc/43/53/34/357435334.db2.gz DRJYRSJLVWUHJZ-UWVGGRQHSA-N 1 0 293.323 1.461 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000408071755 357811266 /nfs/dbraw/zinc/81/12/66/357811266.db2.gz LIUJXKDSGMRVEU-MNOVXSKESA-N 1 0 277.324 1.759 20 5 CDBDRO CCOC1CC([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000286899112 358024938 /nfs/dbraw/zinc/02/49/38/358024938.db2.gz IXUYJGSVVHOFBC-UHFFFAOYSA-N 1 0 268.317 1.291 20 5 CDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000287094985 358096317 /nfs/dbraw/zinc/09/63/17/358096317.db2.gz LCLQMWPWTPFCDK-ZYHUDNBSSA-N 1 0 292.339 1.622 20 5 CDBDRO NC(=O)c1ccc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000156387987 283379270 /nfs/dbraw/zinc/37/92/70/283379270.db2.gz QZLMSJOWQFHYQH-MNOVXSKESA-N 1 0 290.323 1.024 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000186847875 358832356 /nfs/dbraw/zinc/83/23/56/358832356.db2.gz XBRKLEWVQJYKQT-LDYMZIIASA-N 1 0 281.287 1.462 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+](C)C)C2)n1 ZINC000178208339 366473649 /nfs/dbraw/zinc/47/36/49/366473649.db2.gz KAVJOJAPLBXYRQ-NSHDSACASA-N 1 0 264.329 1.829 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000186869938 358834578 /nfs/dbraw/zinc/83/45/78/358834578.db2.gz QUAQQORBGLVFII-ZHVYSYIMSA-N 1 0 289.335 1.722 20 5 CDBDRO CO[C@H]1C[C@H](N(C)Cc2c([N+](=O)[O-])ncn2C)C12CCC2 ZINC000451862920 359087632 /nfs/dbraw/zinc/08/76/32/359087632.db2.gz YJNPBGIIRATGCP-RYUDHWBXSA-N 1 0 294.355 1.718 20 5 CDBDRO CC(C)[C@H](CCO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000274638249 359059905 /nfs/dbraw/zinc/05/99/05/359059905.db2.gz YIHIEARDUBDYIY-KBPBESRZSA-N 1 0 282.340 1.625 20 5 CDBDRO C[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C)[NH+]1C ZINC000338789539 359176391 /nfs/dbraw/zinc/17/63/91/359176391.db2.gz XJGKJVVUDJGMPL-UWVGGRQHSA-N 1 0 292.339 1.223 20 5 CDBDRO Cc1nc(NCCOCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000231208151 359251955 /nfs/dbraw/zinc/25/19/55/359251955.db2.gz NJSUASAOOJGUGD-UHFFFAOYSA-N 1 0 268.317 1.288 20 5 CDBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](C)CO ZINC000339625185 359418138 /nfs/dbraw/zinc/41/81/38/359418138.db2.gz GZPHLZRMYIUWMT-VIFPVBQESA-N 1 0 278.312 1.674 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000339784745 359437704 /nfs/dbraw/zinc/43/77/04/359437704.db2.gz REZJCHQKZKTRHJ-SECBINFHSA-N 1 0 268.317 1.383 20 5 CDBDRO CC[C@@H](C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])OC ZINC000289675848 359664776 /nfs/dbraw/zinc/66/47/76/359664776.db2.gz CCVHIASWARDNIS-JTQLQIEISA-N 1 0 284.312 1.824 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000050246319 359689093 /nfs/dbraw/zinc/68/90/93/359689093.db2.gz ZEDHMYUPFLSESI-JTQLQIEISA-N 1 0 263.297 1.324 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000089106741 283504498 /nfs/dbraw/zinc/50/44/98/283504498.db2.gz DSEBWQGWVOSYMQ-RKDXNWHRSA-N 1 0 283.353 1.904 20 5 CDBDRO Cc1n[nH]c(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000267335627 359923102 /nfs/dbraw/zinc/92/31/02/359923102.db2.gz YQFXCHUWACDGNI-NXEZZACHSA-N 1 0 295.343 1.229 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000298050819 200323106 /nfs/dbraw/zinc/32/31/06/200323106.db2.gz SNRLUTBMCONZTD-QWRGUYRKSA-N 1 0 294.355 1.905 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCC1=CC[NH2+]CC1 ZINC000169258695 360156709 /nfs/dbraw/zinc/15/67/09/360156709.db2.gz LWQRLMNSTRAVIQ-UHFFFAOYSA-N 1 0 275.308 1.173 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000177005229 189020189 /nfs/dbraw/zinc/02/01/89/189020189.db2.gz CROSVNDVEZNXCR-SNVBAGLBSA-N 1 0 281.312 1.744 20 5 CDBDRO CC[C@H](CSC)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000091099743 360229420 /nfs/dbraw/zinc/22/94/20/360229420.db2.gz ZLHZXNWCSHWRDJ-LLVKDONJSA-N 1 0 299.396 1.830 20 5 CDBDRO Cc1ccc(C(=O)NCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000166703538 360233555 /nfs/dbraw/zinc/23/35/55/360233555.db2.gz AWPAVBUMILPUTP-GFCCVEGCSA-N 1 0 277.324 1.775 20 5 CDBDRO CC[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000177807563 189071223 /nfs/dbraw/zinc/07/12/23/189071223.db2.gz HWKPNSTWEWUSHZ-GFCCVEGCSA-N 1 0 279.340 1.893 20 5 CDBDRO Cc1c([C@H](C)[NH2+]CCS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000178135708 189092485 /nfs/dbraw/zinc/09/24/85/189092485.db2.gz POGPTLYUDDEEHF-JTQLQIEISA-N 1 0 286.353 1.598 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])[nH]1 ZINC000299002170 200580220 /nfs/dbraw/zinc/58/02/20/200580220.db2.gz JVZNTQJFZYBTDQ-ONGXEEELSA-N 1 0 278.312 1.280 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H](C)[NH3+])c1 ZINC000178625068 189131900 /nfs/dbraw/zinc/13/19/00/189131900.db2.gz ILDZUUGKQLTKRG-QMMMGPOBSA-N 1 0 267.285 1.071 20 5 CDBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000179086069 189167831 /nfs/dbraw/zinc/16/78/31/189167831.db2.gz RFCVOWRCFNWOBR-WHOFXGATSA-N 1 0 294.351 1.864 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000035121781 361265561 /nfs/dbraw/zinc/26/55/61/361265561.db2.gz KSVYJLMQXRJJIH-SECBINFHSA-N 1 0 253.306 1.225 20 5 CDBDRO C[C@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000267663019 361268275 /nfs/dbraw/zinc/26/82/75/361268275.db2.gz NFHJRBTXIBNLHI-MBNYWOFBSA-N 1 0 294.351 1.922 20 5 CDBDRO O=[N+]([O-])c1cnc(NCC2CC[NH+](CCO)CC2)s1 ZINC000192451345 361668590 /nfs/dbraw/zinc/66/85/90/361668590.db2.gz YMDYCOHDJFMBBO-UHFFFAOYSA-N 1 0 286.357 1.168 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])nc2)C[C@H]1C ZINC000580339853 363901669 /nfs/dbraw/zinc/90/16/69/363901669.db2.gz JHEJEOXKIWTYCD-GHMZBOCLSA-N 1 0 264.329 1.909 20 5 CDBDRO O=c1c2cc([N+](=O)[O-])ccc2ncn1CC1CC[NH2+]CC1 ZINC000581882470 364049801 /nfs/dbraw/zinc/04/98/01/364049801.db2.gz WWGWNNMAHLFNKK-UHFFFAOYSA-N 1 0 288.307 1.304 20 5 CDBDRO COC[C@H](CCO)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223951771 370745612 /nfs/dbraw/zinc/74/56/12/370745612.db2.gz MJGFJBAZUSMAEW-AAEUAGOBSA-N 1 0 282.340 1.951 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000366933906 364369822 /nfs/dbraw/zinc/36/98/22/364369822.db2.gz MJBUMJBRLRFACE-UWVGGRQHSA-N 1 0 299.277 1.506 20 5 CDBDRO Cc1c(C[NH2+]C[C@@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000231885836 364997638 /nfs/dbraw/zinc/99/76/38/364997638.db2.gz JCRUCHYRFRNLLY-SNVBAGLBSA-N 1 0 278.230 1.916 20 5 CDBDRO CCC[C@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000270460482 366884135 /nfs/dbraw/zinc/88/41/35/366884135.db2.gz AECPATIQLFCUBS-NSHDSACASA-N 1 0 267.329 1.877 20 5 CDBDRO C[NH+](C)CC(C)(C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000459546363 366914437 /nfs/dbraw/zinc/91/44/37/366914437.db2.gz IEUIJDBDLPEARZ-UHFFFAOYSA-N 1 0 291.355 1.901 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000414654307 241303662 /nfs/dbraw/zinc/30/36/62/241303662.db2.gz ISTMUYDKRAXYAR-VIFPVBQESA-N 1 0 294.311 1.477 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000094340104 367196098 /nfs/dbraw/zinc/19/60/98/367196098.db2.gz IVMPHAPKGBCOTF-ZYHUDNBSSA-N 1 0 277.324 1.713 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000348636916 367598543 /nfs/dbraw/zinc/59/85/43/367598543.db2.gz SBNJVKNERPLBRY-JDBPXVJJSA-N 1 0 292.335 1.690 20 5 CDBDRO C[NH2+]CCCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417128040 242329501 /nfs/dbraw/zinc/32/95/01/242329501.db2.gz HOGAIBYZSNYJBW-JTQLQIEISA-N 1 0 280.328 1.565 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417221262 242364299 /nfs/dbraw/zinc/36/42/99/242364299.db2.gz CPJHQEMAFGUSFD-LLVKDONJSA-N 1 0 294.355 1.564 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417236876 242373824 /nfs/dbraw/zinc/37/38/24/242373824.db2.gz VJEUTINIVYIWFP-SNVBAGLBSA-N 1 0 280.328 1.031 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC(C)(CO)CO ZINC000272360327 367695338 /nfs/dbraw/zinc/69/53/38/367695338.db2.gz SCYOCBOJZWLQTE-LBPRGKRZSA-N 1 0 296.367 1.887 20 5 CDBDRO C[N@H+]1CC=C(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272631687 367783265 /nfs/dbraw/zinc/78/32/65/367783265.db2.gz KKEMGDYFGJXRHR-UHFFFAOYSA-N 1 0 290.323 1.169 20 5 CDBDRO C[C@@H](O)[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000272634747 367785407 /nfs/dbraw/zinc/78/54/07/367785407.db2.gz WTSZOZJRJNGILX-NEPJUHHUSA-N 1 0 280.324 1.676 20 5 CDBDRO C[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000299600676 367794763 /nfs/dbraw/zinc/79/47/63/367794763.db2.gz GDHZGWFKCTTXRX-VIFPVBQESA-N 1 0 263.297 1.536 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000418525430 243179163 /nfs/dbraw/zinc/17/91/63/243179163.db2.gz OJDYQZOQMJAIEX-SECBINFHSA-N 1 0 280.328 1.476 20 5 CDBDRO [NH3+]CCCCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000420242206 243968507 /nfs/dbraw/zinc/96/85/07/243968507.db2.gz WJVIVZJMEZNZTH-UHFFFAOYSA-N 1 0 261.285 1.111 20 5 CDBDRO C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000420333543 244099172 /nfs/dbraw/zinc/09/91/72/244099172.db2.gz HRLNJQQUZJPRBO-LLVKDONJSA-N 1 0 292.339 1.217 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]C[C@@](C)(F)C1 ZINC000420333482 244099831 /nfs/dbraw/zinc/09/98/31/244099831.db2.gz NTOOFJRLQIIYKJ-CQSZACIVSA-N 1 0 297.330 1.737 20 5 CDBDRO C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C[NH2+]1 ZINC000420394355 244195755 /nfs/dbraw/zinc/19/57/55/244195755.db2.gz KHDJFMUHORRPLH-VXGBXAGGSA-N 1 0 279.340 1.656 20 5 CDBDRO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1O ZINC000351823100 369303298 /nfs/dbraw/zinc/30/32/98/369303298.db2.gz LDGXONBJTDDOJL-LDYMZIIASA-N 1 0 277.280 1.549 20 5 CDBDRO Cc1sc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000331392286 203795155 /nfs/dbraw/zinc/79/51/55/203795155.db2.gz QLUUDQVIQVMXEJ-GXSJLCMTSA-N 1 0 295.364 1.789 20 5 CDBDRO Nc1c(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cccc1[N+](=O)[O-] ZINC000331854771 204232692 /nfs/dbraw/zinc/23/26/92/204232692.db2.gz XAJZFCSNNGFNAN-JOYOIKCWSA-N 1 0 290.323 1.001 20 5 CDBDRO Cc1ccnc(N2CC[C@@H]([NH+]3CC=CC3)C2)c1[N+](=O)[O-] ZINC000266276423 371997268 /nfs/dbraw/zinc/99/72/68/371997268.db2.gz SGQPXSKJCCDYLE-GFCCVEGCSA-N 1 0 274.324 1.749 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000543356703 372220944 /nfs/dbraw/zinc/22/09/44/372220944.db2.gz RCOODHIFROKFEO-JTQLQIEISA-N 1 0 293.323 1.171 20 5 CDBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000344649661 372853635 /nfs/dbraw/zinc/85/36/35/372853635.db2.gz UYNASZNUOSHOKP-GFCCVEGCSA-N 1 0 294.355 1.773 20 5 CDBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000121820883 373233471 /nfs/dbraw/zinc/23/34/71/373233471.db2.gz UYMUGOGTELKQCK-SNVBAGLBSA-N 1 0 295.343 1.312 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[NH2+]C1CC1 ZINC000037810252 373399685 /nfs/dbraw/zinc/39/96/85/373399685.db2.gz CVMCTRKCEWIKFD-UHFFFAOYSA-N 1 0 263.297 1.305 20 5 CDBDRO CCc1nn(C)c(NC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000091561878 374039949 /nfs/dbraw/zinc/03/99/49/374039949.db2.gz DHTPIOVYXDSSIS-JTQLQIEISA-N 1 0 281.360 1.644 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000301699491 374233289 /nfs/dbraw/zinc/23/32/89/374233289.db2.gz DYGKSDNJVUKHRG-DGCLKSJQSA-N 1 0 276.340 1.910 20 5 CDBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298885880 374250761 /nfs/dbraw/zinc/25/07/61/374250761.db2.gz RCAYOSWFQHFGMR-NSHDSACASA-N 1 0 294.355 1.917 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417772138 374252911 /nfs/dbraw/zinc/25/29/11/374252911.db2.gz WBOXNOIRORTXLN-UHFFFAOYSA-N 1 0 280.328 1.174 20 5 CDBDRO [NH3+]CCCCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000311456432 374255700 /nfs/dbraw/zinc/25/57/00/374255700.db2.gz KQFXHBLRFKEUBI-SREVYHEPSA-N 1 0 263.297 1.463 20 5 CDBDRO C[N@H+](CCn1ncc([N+](=O)[O-])c1N)Cc1ccccc1 ZINC000418897407 374269644 /nfs/dbraw/zinc/26/96/44/374269644.db2.gz HHFPHDJPMJLKKF-UHFFFAOYSA-N 1 0 275.312 1.506 20 5 CDBDRO COc1cc(NC[C@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000225346356 374243583 /nfs/dbraw/zinc/24/35/83/374243583.db2.gz PVGZOZQXSPGAPG-LBPRGKRZSA-N 1 0 294.355 1.261 20 5 CDBDRO NC(=O)C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000368571204 374318261 /nfs/dbraw/zinc/31/82/61/374318261.db2.gz DGIILAKENVXQTL-SNVBAGLBSA-N 1 0 281.287 1.431 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CCC[NH2+]CC2)c(N)c([N+](=O)[O-])c1 ZINC000368723606 374325150 /nfs/dbraw/zinc/32/51/50/374325150.db2.gz WTSFRNCBHQEGAC-SNVBAGLBSA-N 1 0 292.339 1.357 20 5 CDBDRO CC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000421889421 374337812 /nfs/dbraw/zinc/33/78/12/374337812.db2.gz XDMNWVUKYGIQCG-QJPTWQEYSA-N 1 0 282.344 1.636 20 5 CDBDRO O=C1NC[C@@H]2[C@H]1CCCN2Cc1cccc([N+](=O)[O-])c1 ZINC000369604038 374357937 /nfs/dbraw/zinc/35/79/37/374357937.db2.gz PPKKYLRWRPPXSQ-CHWSQXEVSA-N 1 0 275.308 1.305 20 5 CDBDRO O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000369894240 374368013 /nfs/dbraw/zinc/36/80/13/374368013.db2.gz VCAWVVPCKKLQLW-WFASDCNBSA-N 1 0 287.319 1.484 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000115341081 374403370 /nfs/dbraw/zinc/40/33/70/374403370.db2.gz ABTOHOJRDARZRD-BDAKNGLRSA-N 1 0 253.306 1.258 20 5 CDBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CNCCO2)cccc1[N+](=O)[O-] ZINC000423531722 374388437 /nfs/dbraw/zinc/38/84/37/374388437.db2.gz YOGNKLSCOWBVQP-NEPJUHHUSA-N 1 0 279.340 1.542 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1([NH3+])CCC1 ZINC000423514614 374389061 /nfs/dbraw/zinc/38/90/61/374389061.db2.gz UEYUASCQHCTFNK-UHFFFAOYSA-N 1 0 293.323 1.605 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CC[NH3+])c1 ZINC000423534476 374390253 /nfs/dbraw/zinc/39/02/53/374390253.db2.gz WDBDOKNRGZXDAN-VIFPVBQESA-N 1 0 281.312 1.461 20 5 CDBDRO Nc1ccc(C(=O)N[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000376386601 374552603 /nfs/dbraw/zinc/55/26/03/374552603.db2.gz OEJUZBCVQBRCQO-JTQLQIEISA-N 1 0 278.312 1.049 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000376740497 374568526 /nfs/dbraw/zinc/56/85/26/374568526.db2.gz VRRZZDDBPWCKIZ-LBPRGKRZSA-N 1 0 294.355 1.767 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000070447265 374662571 /nfs/dbraw/zinc/66/25/71/374662571.db2.gz QZFVIJMXIDZHBH-NSHDSACASA-N 1 0 265.313 1.237 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000070446910 374662621 /nfs/dbraw/zinc/66/26/21/374662621.db2.gz GJDOLNHSOOCWFY-SNVBAGLBSA-N 1 0 265.313 1.616 20 5 CDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH3+])cc1OC ZINC000274451197 374673664 /nfs/dbraw/zinc/67/36/64/374673664.db2.gz SIVADJJOZZXZFL-MRVPVSSYSA-N 1 0 297.311 1.079 20 5 CDBDRO CCOCC[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000093317023 374740782 /nfs/dbraw/zinc/74/07/82/374740782.db2.gz JRXXINQCEJIZHF-UHFFFAOYSA-N 1 0 268.313 1.942 20 5 CDBDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000449462751 374812650 /nfs/dbraw/zinc/81/26/50/374812650.db2.gz VQBFICDHEWNIIR-FZMZJTMJSA-N 1 0 298.314 1.875 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000330571929 374866927 /nfs/dbraw/zinc/86/69/27/374866927.db2.gz DFQQCMJQDHVNAP-VXGBXAGGSA-N 1 0 291.351 1.688 20 5 CDBDRO CC[C@@]1(C)COCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000330532647 374860585 /nfs/dbraw/zinc/86/05/85/374860585.db2.gz TXOOPWUTDUZVRG-LBPRGKRZSA-N 1 0 268.317 1.292 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000331302288 374925014 /nfs/dbraw/zinc/92/50/14/374925014.db2.gz SEAVTYVFUSJWIQ-JTQLQIEISA-N 1 0 282.344 1.764 20 5 CDBDRO C[NH+](C)C[C@@H](O)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332658210 375040406 /nfs/dbraw/zinc/04/04/06/375040406.db2.gz ANYMILRONJOGMK-DZGCQCFKSA-N 1 0 293.367 1.484 20 5 CDBDRO CC(C)NC(=O)CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332655853 375041349 /nfs/dbraw/zinc/04/13/49/375041349.db2.gz AGXLHHGDIHYYDN-UHFFFAOYSA-N 1 0 292.339 1.263 20 5 CDBDRO CC[N@H+](CCOCCO)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000282237436 375072637 /nfs/dbraw/zinc/07/26/37/375072637.db2.gz ZTDVWYZIQPSTTK-UHFFFAOYSA-N 1 0 298.339 1.434 20 5 CDBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCNC1=O ZINC000282462049 375085153 /nfs/dbraw/zinc/08/51/53/375085153.db2.gz UAARMJBQEUOAOY-CYBMUJFWSA-N 1 0 277.324 1.348 20 5 CDBDRO O=C(NCC[NH+]1CCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000351618399 375313849 /nfs/dbraw/zinc/31/38/49/375313849.db2.gz GMZWUQQURRTNPN-UHFFFAOYSA-N 1 0 282.275 1.561 20 5 CDBDRO Cc1cc(C(=O)N[C@@H](CC[NH3+])C(F)F)cc([N+](=O)[O-])c1 ZINC000383442356 375259791 /nfs/dbraw/zinc/25/97/91/375259791.db2.gz FNERKDSDSPWPMP-JTQLQIEISA-N 1 0 287.266 1.616 20 5 CDBDRO C[C@H](O)C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000304566220 375462658 /nfs/dbraw/zinc/46/26/58/375462658.db2.gz ZKKZPTXAMUNSCZ-LBPRGKRZSA-N 1 0 296.371 1.807 20 5 CDBDRO CC[C@H](CNc1c([N+](=O)[O-])ncn1C)[NH+]1CCCC1 ZINC000029623278 375450300 /nfs/dbraw/zinc/45/03/00/375450300.db2.gz IEXUNUOJNNYQSW-SNVBAGLBSA-N 1 0 267.333 1.615 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000344830140 375550458 /nfs/dbraw/zinc/55/04/58/375550458.db2.gz RBGYOILXVFERHE-TUOYRWMMSA-N 1 0 289.335 1.818 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)C2CC2)cc1 ZINC000353070781 375574515 /nfs/dbraw/zinc/57/45/15/375574515.db2.gz IGUBTCRKNOXYHI-LBPRGKRZSA-N 1 0 250.298 1.703 20 5 CDBDRO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000132720761 375577364 /nfs/dbraw/zinc/57/73/64/375577364.db2.gz GMVMPJPZOZDRSI-IUCAKERBSA-N 1 0 281.287 1.556 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000347353778 375812785 /nfs/dbraw/zinc/81/27/85/375812785.db2.gz HJRYCEMNVBFPRB-SVTZGKHISA-N 1 0 289.335 1.805 20 5 CDBDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000164319238 375861127 /nfs/dbraw/zinc/86/11/27/375861127.db2.gz FRFHDXJYVLTQNT-HYORBCNSSA-N 1 0 262.356 1.513 20 5 CDBDRO CCCN(CC[NH+](CC)CC)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000130215213 376111869 /nfs/dbraw/zinc/11/18/69/376111869.db2.gz WYIWYIJQQBHEEQ-UHFFFAOYSA-N 1 0 297.359 1.512 20 5 CDBDRO C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000267069850 376800396 /nfs/dbraw/zinc/80/03/96/376800396.db2.gz KPQDLXFTDFZRSG-GHMZBOCLSA-N 1 0 252.318 1.912 20 5 CDBDRO C[N@H+](CCNC(=O)c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000268140064 377182381 /nfs/dbraw/zinc/18/23/81/377182381.db2.gz ICQBMWVNHGSUNU-UHFFFAOYSA-N 1 0 281.287 1.558 20 5 CDBDRO CC[C@H](C)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000075633420 377852283 /nfs/dbraw/zinc/85/22/83/377852283.db2.gz HZDVEDPKMIFOBB-VIFPVBQESA-N 1 0 265.313 1.924 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](CO)C1 ZINC000266930463 378755221 /nfs/dbraw/zinc/75/52/21/378755221.db2.gz OMVZRCYJISIPMH-NSHDSACASA-N 1 0 293.323 1.156 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH3+])c1 ZINC000441621947 249892456 /nfs/dbraw/zinc/89/24/56/249892456.db2.gz PSKKTXRCVRSEGR-VIFPVBQESA-N 1 0 251.286 1.228 20 5 CDBDRO CSc1ccc(C(=O)NC[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000441626748 249893889 /nfs/dbraw/zinc/89/38/89/249893889.db2.gz YRUPUJCSHOHBEW-MRVPVSSYSA-N 1 0 283.353 1.641 20 5 CDBDRO Cc1c(NC(=O)C[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000042167184 379549639 /nfs/dbraw/zinc/54/96/39/379549639.db2.gz UCHSJPPYDAAYOW-SNVBAGLBSA-N 1 0 263.297 1.984 20 5 CDBDRO C[NH+](C)C/C=C\C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000492019282 253140480 /nfs/dbraw/zinc/14/04/80/253140480.db2.gz ODKUGSRBLVLRNE-ARJAWSKDSA-N 1 0 267.260 1.790 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCF)n1 ZINC000436280827 285169509 /nfs/dbraw/zinc/16/95/09/285169509.db2.gz FLKOEJBALBLYCF-ZJUUUORDSA-N 1 0 256.281 1.834 20 5 CDBDRO CN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1F ZINC000336788402 390198743 /nfs/dbraw/zinc/19/87/43/390198743.db2.gz GXYIFOWDMPVUMP-UHFFFAOYSA-N 1 0 255.293 1.727 20 5 CDBDRO COCC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000048611063 390449725 /nfs/dbraw/zinc/44/97/25/390449725.db2.gz CHYJRJQKQJMIFW-UHFFFAOYSA-N 1 0 281.312 1.502 20 5 CDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1COCCO1 ZINC000450978300 390583839 /nfs/dbraw/zinc/58/38/39/390583839.db2.gz YFYVMCRSJDEVSP-ZDUSSCGKSA-N 1 0 280.324 1.485 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccn1 ZINC000451371485 390615296 /nfs/dbraw/zinc/61/52/96/390615296.db2.gz FENMDEZLLHEBCT-UHFFFAOYSA-N 1 0 261.285 1.318 20 5 CDBDRO CCc1nn(C)c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000158380696 390682760 /nfs/dbraw/zinc/68/27/60/390682760.db2.gz XQUQXUHNOGWLPB-WDEREUQCSA-N 1 0 293.371 1.929 20 5 CDBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000449196965 390682930 /nfs/dbraw/zinc/68/29/30/390682930.db2.gz UOTZEFZNTFVEKY-LBPRGKRZSA-N 1 0 252.318 1.960 20 5 CDBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000235721077 390944817 /nfs/dbraw/zinc/94/48/17/390944817.db2.gz GFBGPTZJYAQCRU-UWVGGRQHSA-N 1 0 299.352 1.014 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000262730942 390931473 /nfs/dbraw/zinc/93/14/73/390931473.db2.gz HYFLOWQRQJVJLE-QPUJVOFHSA-N 1 0 281.287 1.462 20 5 CDBDRO C[C@@H]1CCC(C)(C)[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000452013652 390977686 /nfs/dbraw/zinc/97/76/86/390977686.db2.gz SWFINNUHMOOVHQ-ZYHUDNBSSA-N 1 0 282.344 1.415 20 5 CDBDRO Cc1cc(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000266451653 391009020 /nfs/dbraw/zinc/00/90/20/391009020.db2.gz XKHSZVZIRMUYSM-CHWSQXEVSA-N 1 0 293.367 1.795 20 5 CDBDRO CCOC(=O)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000048755918 391054358 /nfs/dbraw/zinc/05/43/58/391054358.db2.gz SHADSBYQHTTXNE-UHFFFAOYSA-N 1 0 266.297 1.980 20 5 CDBDRO CC[NH+]1CCN(CCNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413056815 391153481 /nfs/dbraw/zinc/15/34/81/391153481.db2.gz WMGCQIQTHHQBHA-UHFFFAOYSA-N 1 0 297.334 1.178 20 5 CDBDRO CN(C)CC[N@H+](C)CCCNc1ncc([N+](=O)[O-])cc1F ZINC000413295194 391191831 /nfs/dbraw/zinc/19/18/31/391191831.db2.gz GTLVWSBHLBRHEO-UHFFFAOYSA-N 1 0 299.350 1.424 20 5 CDBDRO CC(C)(CC(N)=O)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000186210269 391216203 /nfs/dbraw/zinc/21/62/03/391216203.db2.gz NVHIFRQSQUDYJO-UHFFFAOYSA-N 1 0 285.731 1.992 20 5 CDBDRO C[C@H]1C[NH2+]CCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000212098435 391305361 /nfs/dbraw/zinc/30/53/61/391305361.db2.gz GJVQKBQEGIEBAT-GZTOBOFZSA-N 1 0 275.308 1.428 20 5 CDBDRO C[C@@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295014487 391360258 /nfs/dbraw/zinc/36/02/58/391360258.db2.gz UEEJXNWJBZZUNQ-NSHDSACASA-N 1 0 276.340 1.910 20 5 CDBDRO C[NH+](C)C1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000439101587 391409912 /nfs/dbraw/zinc/40/99/12/391409912.db2.gz QPWRTOYBLJFFPG-UHFFFAOYSA-N 1 0 292.339 1.224 20 5 CDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415379061 391377034 /nfs/dbraw/zinc/37/70/34/391377034.db2.gz DRORBSUHUMMNQL-JTQLQIEISA-N 1 0 295.343 1.249 20 5 CDBDRO CC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000267241027 391377430 /nfs/dbraw/zinc/37/74/30/391377430.db2.gz RTJJPRLFLZJDDT-UHFFFAOYSA-N 1 0 264.329 1.830 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000457083759 391402818 /nfs/dbraw/zinc/40/28/18/391402818.db2.gz KTWBSUIHXPQTBV-JTQLQIEISA-N 1 0 281.312 1.743 20 5 CDBDRO Cc1cc(NC(=O)N[C@@H](C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000415432773 391431568 /nfs/dbraw/zinc/43/15/68/391431568.db2.gz LVZMISAOMURQPS-VIFPVBQESA-N 1 0 266.301 1.762 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000186717294 391443142 /nfs/dbraw/zinc/44/31/42/391443142.db2.gz GDKFEUKQYUDSQM-UHFFFAOYSA-N 1 0 291.351 1.690 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415637148 391470157 /nfs/dbraw/zinc/47/01/57/391470157.db2.gz ZEABIRYGMZCIOL-SNVBAGLBSA-N 1 0 282.275 1.689 20 5 CDBDRO C[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000415633336 391470313 /nfs/dbraw/zinc/47/03/13/391470313.db2.gz QLYSYBNYXLALSV-MRVPVSSYSA-N 1 0 282.275 1.560 20 5 CDBDRO COc1ccc(C[NH2+]CC2(N(C)C)CC2)cc1[N+](=O)[O-] ZINC000397982522 391637939 /nfs/dbraw/zinc/63/79/39/391637939.db2.gz LGSNMBHBFBEQTB-UHFFFAOYSA-N 1 0 279.340 1.787 20 5 CDBDRO C[NH+](C)C1(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000397980713 391637996 /nfs/dbraw/zinc/63/79/96/391637996.db2.gz KMXJNCHEFLTSHO-UHFFFAOYSA-N 1 0 278.312 1.200 20 5 CDBDRO C[N@@H+]1CC[C@](O)(CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000358344388 391589484 /nfs/dbraw/zinc/58/94/84/391589484.db2.gz VJMGCZHMCYITCG-LBPRGKRZSA-N 1 0 251.286 1.073 20 5 CDBDRO CO[C@]1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCOC1 ZINC000449246463 391650273 /nfs/dbraw/zinc/65/02/73/391650273.db2.gz DJHYTYZLJCYHMQ-DOMZBBRYSA-N 1 0 294.351 1.921 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)C1CC1 ZINC000449059111 391670964 /nfs/dbraw/zinc/67/09/64/391670964.db2.gz AGCVDYIWOMEDPQ-LLVKDONJSA-N 1 0 291.351 1.642 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000266326214 391713961 /nfs/dbraw/zinc/71/39/61/391713961.db2.gz GEPXAZYZRAKUQV-NEPJUHHUSA-N 1 0 294.355 1.190 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190914486 130160804 /nfs/dbraw/zinc/16/08/04/130160804.db2.gz XJSJVJGURDRRNX-PWSUYJOCSA-N 1 0 280.324 1.664 20 5 CDBDRO C[C@H]([NH2+][C@H]1CCC(=O)NC1)c1ccc([N+](=O)[O-])cc1 ZINC000111015475 391848034 /nfs/dbraw/zinc/84/80/34/391848034.db2.gz IEWKTEFDDQFKSC-ONGXEEELSA-N 1 0 263.297 1.524 20 5 CDBDRO CCC[C@@H](C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438842880 391933372 /nfs/dbraw/zinc/93/33/72/391933372.db2.gz PWTYTXWALSRRLX-ZYHUDNBSSA-N 1 0 270.333 1.273 20 5 CDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000354008315 391911428 /nfs/dbraw/zinc/91/14/28/391911428.db2.gz SEOKFMQWRDXQBJ-NSHDSACASA-N 1 0 277.324 1.761 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000592213463 392095784 /nfs/dbraw/zinc/09/57/84/392095784.db2.gz PIGJWGOFTVRJLL-MNOVXSKESA-N 1 0 294.355 1.562 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000235685470 130953034 /nfs/dbraw/zinc/95/30/34/130953034.db2.gz SDXYSFKQYTWBSB-QWRGUYRKSA-N 1 0 277.324 1.774 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235710110 130953809 /nfs/dbraw/zinc/95/38/09/130953809.db2.gz JNJKNGLWAKQCJH-CMPLNLGQSA-N 1 0 277.324 1.394 20 5 CDBDRO C[C@@]1(C(=O)NCCc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000237503843 131037252 /nfs/dbraw/zinc/03/72/52/131037252.db2.gz RUUHEFAHXWWPOX-CQSZACIVSA-N 1 0 277.324 1.253 20 5 CDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CCCC[NH2+]1 ZINC000237891756 131064043 /nfs/dbraw/zinc/06/40/43/131064043.db2.gz DYLRFOZZAHYPPA-GFCCVEGCSA-N 1 0 277.324 1.396 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000261566953 131152585 /nfs/dbraw/zinc/15/25/85/131152585.db2.gz IIXQCWMUPGPPEI-SECBINFHSA-N 1 0 251.286 1.241 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261732231 131164860 /nfs/dbraw/zinc/16/48/60/131164860.db2.gz LFRHPLSADLIEAO-CMPLNLGQSA-N 1 0 275.308 1.419 20 5 CDBDRO CSc1ccc(C(=O)NC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000262500586 131226831 /nfs/dbraw/zinc/22/68/31/131226831.db2.gz GPVHYCJGSORTJR-UHFFFAOYSA-N 1 0 295.364 1.799 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000262520797 131228875 /nfs/dbraw/zinc/22/88/75/131228875.db2.gz WOTDMXOPBHJYMS-UHFFFAOYSA-N 1 0 265.313 1.381 20 5 CDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000262563664 131233654 /nfs/dbraw/zinc/23/36/54/131233654.db2.gz AXRZCMNLGCHTDS-VIFPVBQESA-N 1 0 297.742 1.978 20 5 CDBDRO Nc1c(C(=O)NC2(C[NH3+])CCCC2)cccc1[N+](=O)[O-] ZINC000262570651 131234597 /nfs/dbraw/zinc/23/45/97/131234597.db2.gz CNYCEYRPJAABIY-UHFFFAOYSA-N 1 0 278.312 1.178 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])c(N)c([N+](=O)[O-])c1 ZINC000262590202 131237384 /nfs/dbraw/zinc/23/73/84/131237384.db2.gz QXDRUHHXWUZASM-KOLCDFICSA-N 1 0 292.339 1.343 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000262886850 131271183 /nfs/dbraw/zinc/27/11/83/131271183.db2.gz WMCMSEOZRSIARC-GWCFXTLKSA-N 1 0 277.324 1.631 20 5 CDBDRO Cn1cncc1CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000459349828 392423342 /nfs/dbraw/zinc/42/33/42/392423342.db2.gz UVGDPJOOGFGQKN-UHFFFAOYSA-N 1 0 286.335 1.929 20 5 CDBDRO C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000266913648 131797728 /nfs/dbraw/zinc/79/77/28/131797728.db2.gz XCAIWYZNYWDFCE-ONGXEEELSA-N 1 0 263.297 1.476 20 5 CDBDRO Cc1nc(NCc2ccc([C@H](C)[NH3+])cc2)ncc1[N+](=O)[O-] ZINC000420205335 392904187 /nfs/dbraw/zinc/90/41/87/392904187.db2.gz IVXIVMWIVSWSNH-VIFPVBQESA-N 1 0 287.323 1.747 20 5 CDBDRO C[NH2+]C[C@H](C)CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000420212203 392905370 /nfs/dbraw/zinc/90/53/70/392905370.db2.gz TWSIFMFALZPIGD-VIFPVBQESA-N 1 0 292.339 1.747 20 5 CDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000524720011 392918047 /nfs/dbraw/zinc/91/80/47/392918047.db2.gz UPONKAMDMOZIEF-JTQLQIEISA-N 1 0 280.328 1.005 20 5 CDBDRO Cc1nc(NCC2([NH+](C)C)CCOCC2)ccc1[N+](=O)[O-] ZINC000268427681 132008600 /nfs/dbraw/zinc/00/86/00/132008600.db2.gz AOUUUNLQOMQZIW-UHFFFAOYSA-N 1 0 294.355 1.821 20 5 CDBDRO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000269241717 132139997 /nfs/dbraw/zinc/13/99/97/132139997.db2.gz YNBQDFXUVSBSSB-ZWNOBZJWSA-N 1 0 293.323 1.169 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000421701880 392942806 /nfs/dbraw/zinc/94/28/06/392942806.db2.gz IRFRIWQFHRCFBQ-SNVBAGLBSA-N 1 0 280.328 1.100 20 5 CDBDRO COCC[NH2+]CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423320155 392960112 /nfs/dbraw/zinc/96/01/12/392960112.db2.gz DCXBTXILVHRNHT-LBPRGKRZSA-N 1 0 281.356 1.790 20 5 CDBDRO COC[C@](C)(O)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000527039383 392973957 /nfs/dbraw/zinc/97/39/57/392973957.db2.gz OZYDEVJAAYYPHJ-CUXKMMBLSA-N 1 0 294.351 1.985 20 5 CDBDRO Cc1cc(N2CC[C@H]3CC[N@@H+](C)C[C@H]32)ncc1[N+](=O)[O-] ZINC000272188310 393012511 /nfs/dbraw/zinc/01/25/11/393012511.db2.gz LQHAAXULGDHQDB-DGCLKSJQSA-N 1 0 276.340 1.829 20 5 CDBDRO Cc1cc(N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)ncc1[N+](=O)[O-] ZINC000272188312 393012779 /nfs/dbraw/zinc/01/27/79/393012779.db2.gz LQHAAXULGDHQDB-YPMHNXCESA-N 1 0 276.340 1.829 20 5 CDBDRO COC[C@@](C)(O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532498945 393075219 /nfs/dbraw/zinc/07/52/19/393075219.db2.gz WBXVNNIPVRWVJS-RISCZKNCSA-N 1 0 282.340 1.951 20 5 CDBDRO CO[C@@H]1C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000449575089 393135498 /nfs/dbraw/zinc/13/54/98/393135498.db2.gz ZXWVJGLSRASVEP-JDBPXVJJSA-N 1 0 292.335 1.690 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000449636972 393137285 /nfs/dbraw/zinc/13/72/85/393137285.db2.gz FPZAVUZLNQOFAO-JQWIXIFHSA-N 1 0 277.324 1.842 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000232236839 140221862 /nfs/dbraw/zinc/22/18/62/140221862.db2.gz OXZCOXAWZBCBEG-GFCCVEGCSA-N 1 0 277.324 1.396 20 5 CDBDRO O=[N+]([O-])c1cccc(Cl)c1NC[C@@H]1C[NH2+]CCO1 ZINC000236048502 140238628 /nfs/dbraw/zinc/23/86/28/140238628.db2.gz IQPJJKIGMVOPIN-QMMMGPOBSA-N 1 0 271.704 1.649 20 5 CDBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[NH2+]C1 ZINC000261562781 140349380 /nfs/dbraw/zinc/34/93/80/140349380.db2.gz GQHBAJKCQKHBIU-NSHDSACASA-N 1 0 253.277 1.528 20 5 CDBDRO O=[N+]([O-])c1cc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)cs1 ZINC000261585862 140356672 /nfs/dbraw/zinc/35/66/72/140356672.db2.gz UAAHJYOMHBHWFT-GHMZBOCLSA-N 1 0 267.354 1.698 20 5 CDBDRO COc1ccc(CN2CC[C@H]([NH3+])[C@H]2C)cc1[N+](=O)[O-] ZINC000261589740 140357969 /nfs/dbraw/zinc/35/79/69/140357969.db2.gz KWYYWBJUWDWHIW-KOLCDFICSA-N 1 0 265.313 1.525 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261676976 140374457 /nfs/dbraw/zinc/37/44/57/140374457.db2.gz GKMATYBVQRAGES-AWEZNQCLSA-N 1 0 277.324 1.714 20 5 CDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C[NH+](C)C ZINC000288493272 289072202 /nfs/dbraw/zinc/07/22/02/289072202.db2.gz WCWSRHLQROHNQN-UHFFFAOYSA-N 1 0 265.313 1.157 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](CCO)C2CCCCC2)n1 ZINC000183718592 304811674 /nfs/dbraw/zinc/81/16/74/304811674.db2.gz YUFNNNOZPUZILY-CYBMUJFWSA-N 1 0 296.371 1.712 20 5 CDBDRO COc1cc(C(=O)NCC[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000101952992 147142652 /nfs/dbraw/zinc/14/26/52/147142652.db2.gz SDEAFHCSDUQBSJ-UHFFFAOYSA-N 1 0 295.339 1.673 20 5 CDBDRO CC1(CNc2ncc([N+](=O)[O-])cn2)CC[NH2+]CC1 ZINC000129453161 147627098 /nfs/dbraw/zinc/62/70/98/147627098.db2.gz TVXXKJXKYNNFQW-UHFFFAOYSA-N 1 0 251.290 1.186 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000168702868 147762533 /nfs/dbraw/zinc/76/25/33/147762533.db2.gz XOEVYMLHSGLUCT-MNOVXSKESA-N 1 0 277.324 1.713 20 5 CDBDRO COc1cc(CN2CC[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352425669 155181206 /nfs/dbraw/zinc/18/12/06/155181206.db2.gz MNCVGIVMVWGVHQ-NSHDSACASA-N 1 0 279.340 1.739 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181885362 148229237 /nfs/dbraw/zinc/22/92/37/148229237.db2.gz ZZLHZAFKUSJCTE-UHFFFAOYSA-N 1 0 295.295 1.005 20 5 CDBDRO CCc1nn(C)c(N(C)CC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000184784040 148372038 /nfs/dbraw/zinc/37/20/38/148372038.db2.gz NSGJIBIVMPUBGZ-UHFFFAOYSA-N 1 0 281.360 1.421 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](CCO)CC3CC3)nc2c1 ZINC000352481304 155215846 /nfs/dbraw/zinc/21/58/46/155215846.db2.gz FBPFEWCSDALHJK-UHFFFAOYSA-N 1 0 290.323 1.675 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000262431438 149063434 /nfs/dbraw/zinc/06/34/34/149063434.db2.gz FEKDGZXNJDZPGE-MRVPVSSYSA-N 1 0 269.276 1.462 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000334042191 149306060 /nfs/dbraw/zinc/30/60/60/149306060.db2.gz HZMABFILNMVJGY-VHSXEESVSA-N 1 0 295.314 1.946 20 5 CDBDRO C[C@H]1[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343429984 152172399 /nfs/dbraw/zinc/17/23/99/152172399.db2.gz IAEXELWHMKPKLK-SMDDNHRTSA-N 1 0 291.351 1.736 20 5 CDBDRO CCC[N@@H+]1CCC[C@@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000343915533 152351334 /nfs/dbraw/zinc/35/13/34/152351334.db2.gz GXXKTWXEEWYIBW-SNVBAGLBSA-N 1 0 267.333 1.615 20 5 CDBDRO [NH3+][C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000346095494 153051265 /nfs/dbraw/zinc/05/12/65/153051265.db2.gz QKOBRBQXEDBWDO-LLVKDONJSA-N 1 0 265.313 1.397 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000346229313 153106073 /nfs/dbraw/zinc/10/60/73/153106073.db2.gz SJJFGUKACDKMFI-VIFPVBQESA-N 1 0 251.286 1.275 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000346255113 153114129 /nfs/dbraw/zinc/11/41/29/153114129.db2.gz HYWAMKGCAOAYAW-MRVPVSSYSA-N 1 0 269.276 1.414 20 5 CDBDRO CO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)[C@H](C[NH3+])C1 ZINC000346814363 153310404 /nfs/dbraw/zinc/31/04/04/153310404.db2.gz AUJNUBFXAQRZHH-LSDHHAIUSA-N 1 0 293.367 1.841 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000157825474 286381121 /nfs/dbraw/zinc/38/11/21/286381121.db2.gz DQRQWAPWZLVEML-SECBINFHSA-N 1 0 279.296 1.167 20 5 CDBDRO Cc1ccc(NC(=O)NCc2cncn2C)cc1[N+](=O)[O-] ZINC000349959586 154287990 /nfs/dbraw/zinc/28/79/90/154287990.db2.gz DFHWMUDSOGZPQG-UHFFFAOYSA-N 1 0 289.295 1.958 20 5 CDBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000350682016 154426606 /nfs/dbraw/zinc/42/66/06/154426606.db2.gz NAIBNKVULLRUBS-SNVBAGLBSA-N 1 0 297.359 1.558 20 5 CDBDRO C[NH+](C)CC1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCCC1 ZINC000353295390 155771986 /nfs/dbraw/zinc/77/19/86/155771986.db2.gz VRFMURZMXGOLPX-UHFFFAOYSA-N 1 0 294.355 1.775 20 5 CDBDRO COc1c(C(=O)NCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000353825103 156107671 /nfs/dbraw/zinc/10/76/71/156107671.db2.gz KCFBWIINAGSVSC-UHFFFAOYSA-N 1 0 293.323 1.429 20 5 CDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000354005437 156219851 /nfs/dbraw/zinc/21/98/51/156219851.db2.gz GOOLMBGPGSKPIL-JTQLQIEISA-N 1 0 280.328 1.100 20 5 CDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000359214688 158165778 /nfs/dbraw/zinc/16/57/78/158165778.db2.gz LUNNKJAZYIXJFC-SNVBAGLBSA-N 1 0 292.339 1.391 20 5 CDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000359227133 158172740 /nfs/dbraw/zinc/17/27/40/158172740.db2.gz VDPRNCIXUOTXAP-AWEZNQCLSA-N 1 0 291.351 1.738 20 5 CDBDRO Cc1ccn(C[C@@H]2CC[N@@H+](C)C2)c(=O)c1[N+](=O)[O-] ZINC000361967033 159027441 /nfs/dbraw/zinc/02/74/41/159027441.db2.gz PGVJVPYOOYMQGV-SNVBAGLBSA-N 1 0 251.286 1.017 20 5 CDBDRO C[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1CO ZINC000362072890 159059573 /nfs/dbraw/zinc/05/95/73/159059573.db2.gz RLEQBYDWBUMLFS-VHSXEESVSA-N 1 0 268.288 1.794 20 5 CDBDRO C[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1CO ZINC000362072889 159059848 /nfs/dbraw/zinc/05/98/48/159059848.db2.gz RLEQBYDWBUMLFS-UWVGGRQHSA-N 1 0 268.288 1.794 20 5 CDBDRO Cc1cc(NCc2nnn(C)n2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000362839252 159249753 /nfs/dbraw/zinc/24/97/53/159249753.db2.gz HKEVDPUAUISHEY-UHFFFAOYSA-N 1 0 299.294 1.009 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)c1[N+](=O)[O-] ZINC000261616314 292421247 /nfs/dbraw/zinc/42/12/47/292421247.db2.gz UBXDVPFDWBKGEK-ONGXEEELSA-N 1 0 263.297 1.465 20 5 CDBDRO Cc1cccc(C(=O)NCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000006524540 170209758 /nfs/dbraw/zinc/20/97/58/170209758.db2.gz GDVXQRMUQQLWDU-UHFFFAOYSA-N 1 0 265.313 1.585 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000020514866 171232075 /nfs/dbraw/zinc/23/20/75/171232075.db2.gz SGKHMJGXUHUESS-UHFFFAOYSA-N 1 0 278.312 1.764 20 5 CDBDRO CO[C@H](C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285353688 196258954 /nfs/dbraw/zinc/25/89/54/196258954.db2.gz VJHNXPJLGYLTJM-BDAKNGLRSA-N 1 0 253.302 1.863 20 5 CDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000285468437 196294116 /nfs/dbraw/zinc/29/41/16/196294116.db2.gz ZZOCPGCGDPOWPG-GFCCVEGCSA-N 1 0 250.298 1.858 20 5 CDBDRO COC(=O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177232 173010951 /nfs/dbraw/zinc/01/09/51/173010951.db2.gz PAWMCNMINVVHGB-SECBINFHSA-N 1 0 252.270 1.809 20 5 CDBDRO NC(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000037487154 173230341 /nfs/dbraw/zinc/23/03/41/173230341.db2.gz VDPPGBKUEJDCJP-UHFFFAOYSA-N 1 0 285.303 1.984 20 5 CDBDRO C[C@H]([NH2+]C[C@@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC000038060658 174071769 /nfs/dbraw/zinc/07/17/69/174071769.db2.gz DMSWAOUFADTXTN-GXFFZTMASA-N 1 0 266.297 1.661 20 5 CDBDRO C[NH+](C)CC(C)(C)CNc1ncc([N+](=O)[O-])cn1 ZINC000040454374 174267108 /nfs/dbraw/zinc/26/71/08/174267108.db2.gz UPMDTSMFEVNOSC-UHFFFAOYSA-N 1 0 253.306 1.385 20 5 CDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)c1 ZINC000044492436 175181137 /nfs/dbraw/zinc/18/11/37/175181137.db2.gz VHJNATITLAGGAA-SNVBAGLBSA-N 1 0 299.352 1.015 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]C1 ZINC000044501930 175185906 /nfs/dbraw/zinc/18/59/06/175185906.db2.gz IMDHZVHGWORFFM-LLVKDONJSA-N 1 0 277.324 1.253 20 5 CDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]C1 ZINC000044501906 175185928 /nfs/dbraw/zinc/18/59/28/175185928.db2.gz NFACHTSSCCITNK-ABZNLYFFSA-N 1 0 289.335 1.724 20 5 CDBDRO COCCOCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000044693876 175234648 /nfs/dbraw/zinc/23/46/48/175234648.db2.gz KCQBVJRYPLNJCL-UHFFFAOYSA-N 1 0 254.286 1.347 20 5 CDBDRO COc1ccc(C[NH2+]C[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000045107732 175308448 /nfs/dbraw/zinc/30/84/48/175308448.db2.gz BAFNXAUFJFYAST-JTQLQIEISA-N 1 0 267.329 1.643 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000071146053 176042276 /nfs/dbraw/zinc/04/22/76/176042276.db2.gz JBNLQXPTSPYKHB-JTQLQIEISA-N 1 0 267.304 1.775 20 5 CDBDRO CNC(=O)c1ccc(NC[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000071185864 176059775 /nfs/dbraw/zinc/05/97/75/176059775.db2.gz VGBIXVOCRBLCDQ-JTQLQIEISA-N 1 0 292.339 1.318 20 5 CDBDRO COC[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000071269817 176103156 /nfs/dbraw/zinc/10/31/56/176103156.db2.gz NMNYCGMQLLONCY-SKDRFNHKSA-N 1 0 254.286 1.253 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CC[NH2+]C1 ZINC000071310175 176117311 /nfs/dbraw/zinc/11/73/11/176117311.db2.gz FCCSUYJIRLTGGP-ZETCQYMHSA-N 1 0 255.299 1.090 20 5 CDBDRO CCN(Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CC[NH2+]C1 ZINC000071313938 176120692 /nfs/dbraw/zinc/12/06/92/176120692.db2.gz WZURWMFBEAFETL-CYBMUJFWSA-N 1 0 279.340 1.787 20 5 CDBDRO C[NH+](C)CC1(CNC(=O)c2c[nH]nc2[N+](=O)[O-])CCCC1 ZINC000517760742 260260461 /nfs/dbraw/zinc/26/04/61/260260461.db2.gz CQOMPKINHRNISL-UHFFFAOYSA-N 1 0 295.343 1.170 20 5 CDBDRO CNc1ccc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000516925439 260288763 /nfs/dbraw/zinc/28/87/63/260288763.db2.gz QAWMBZKCOFTSOP-ONGXEEELSA-N 1 0 292.339 1.507 20 5 CDBDRO Cc1cc(C(=O)N[C@H](C)[C@@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000394497899 261099321 /nfs/dbraw/zinc/09/93/21/261099321.db2.gz XNBLJEHWVDLEKY-RKDXNWHRSA-N 1 0 251.286 1.369 20 5 CDBDRO C[NH2+]CCN(C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000414706001 273960869 /nfs/dbraw/zinc/96/08/69/273960869.db2.gz OEKVDRXIWPNSJM-UHFFFAOYSA-N 1 0 266.301 1.586 20 5 CDBDRO CC[C@@H](CO)[NH+]1CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000225459380 273719202 /nfs/dbraw/zinc/71/92/02/273719202.db2.gz PCBWIYGNDQQUPR-ZDUSSCGKSA-N 1 0 293.367 1.796 20 5 CDBDRO COc1cc(N2C[C@H](C)[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000086471011 274096950 /nfs/dbraw/zinc/09/69/50/274096950.db2.gz MUYVLTBKISMVJG-UWVGGRQHSA-N 1 0 265.313 1.790 20 5 CDBDRO C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](C)[NH3+] ZINC000191996482 274195101 /nfs/dbraw/zinc/19/51/01/274195101.db2.gz YZMGACPSBQMRQC-BDAKNGLRSA-N 1 0 263.297 1.467 20 5 CDBDRO C[NH2+]CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000054244189 277272382 /nfs/dbraw/zinc/27/23/82/277272382.db2.gz ZGPXNASONMMJJA-UHFFFAOYSA-N 1 0 257.677 1.197 20 5 CDBDRO COc1cc(N2C[C@H](C)[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000086471010 277382518 /nfs/dbraw/zinc/38/25/18/277382518.db2.gz MUYVLTBKISMVJG-VHSXEESVSA-N 1 0 265.313 1.790 20 5 CDBDRO COc1cccc(N2CC[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000122813192 278016411 /nfs/dbraw/zinc/01/64/11/278016411.db2.gz DQOHDAXPMHVEME-VIFPVBQESA-N 1 0 251.286 1.402 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000063193389 278312399 /nfs/dbraw/zinc/31/23/99/278312399.db2.gz KMSVTZJSUWRKHR-BDAKNGLRSA-N 1 0 267.285 1.530 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000191996464 278314641 /nfs/dbraw/zinc/31/46/41/278314641.db2.gz YZMGACPSBQMRQC-DTWKUNHWSA-N 1 0 263.297 1.467 20 5 CDBDRO C[C@H](CN)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423327035 279297923 /nfs/dbraw/zinc/29/79/23/279297923.db2.gz NHIWLSXCJXKUGN-MXWKQRLJSA-N 1 0 267.333 1.212 20 5 CDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCC[C@H]1CC[NH2+]C1 ZINC000110796106 279318968 /nfs/dbraw/zinc/31/89/68/279318968.db2.gz LTBWTQWQSRBDTM-MUBLQREKSA-N 1 0 289.335 1.724 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000070175931 279663852 /nfs/dbraw/zinc/66/38/52/279663852.db2.gz CVLDHLBIKCSZCI-TVQRCGJNSA-N 1 0 295.314 1.933 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000189304793 280049122 /nfs/dbraw/zinc/04/91/22/280049122.db2.gz ATOJFIGMAZDOTO-MWLCHTKSSA-N 1 0 263.297 1.465 20 5 CDBDRO CCC[NH+]1CCN(c2c([N+](=O)[O-])c(C)nn2CC)CC1 ZINC000195344494 280079379 /nfs/dbraw/zinc/07/93/79/280079379.db2.gz QWXKALFITUPFGP-UHFFFAOYSA-N 1 0 281.360 1.652 20 5 CDBDRO [NH3+]C[C@H](NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000237901039 280192516 /nfs/dbraw/zinc/19/25/16/280192516.db2.gz NKOUZLCQIYSLJD-FUEXJSSKSA-N 1 0 293.298 1.601 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261588785 280665241 /nfs/dbraw/zinc/66/52/41/280665241.db2.gz KKFIMRIZCYJWLA-ZDUSSCGKSA-N 1 0 262.313 1.488 20 5 CDBDRO COC(C)(C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000514933177 280861385 /nfs/dbraw/zinc/86/13/85/280861385.db2.gz QYAKXLSEUWSYNX-UHFFFAOYSA-N 1 0 295.339 1.938 20 5 CDBDRO CC1(C)CCC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000149833216 289070086 /nfs/dbraw/zinc/07/00/86/289070086.db2.gz NQVYZCXYISIPSJ-AAEUAGOBSA-N 1 0 296.371 1.711 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000157131722 289279181 /nfs/dbraw/zinc/27/91/81/289279181.db2.gz HVMHBMLYYSHEGA-FUEXJSSKSA-N 1 0 295.314 1.847 20 5 CDBDRO CC(C)n1cc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000541643639 289503165 /nfs/dbraw/zinc/50/31/65/289503165.db2.gz DCARQARWDQKGRJ-NSHDSACASA-N 1 0 292.343 1.920 20 5 CDBDRO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000036976682 290042625 /nfs/dbraw/zinc/04/26/25/290042625.db2.gz RLQVMCSAQPQMQI-GWCFXTLKSA-N 1 0 277.324 1.914 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000560367036 293027426 /nfs/dbraw/zinc/02/74/26/293027426.db2.gz DNSDMZOJDXLAGH-NSHDSACASA-N 1 0 294.355 1.393 20 5 CDBDRO CC[C@H](COC)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000562995074 293237879 /nfs/dbraw/zinc/23/78/79/293237879.db2.gz HGHGEVACHUZDGN-YPMHNXCESA-N 1 0 298.339 1.349 20 5 CDBDRO CCN(C)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000564705581 293396769 /nfs/dbraw/zinc/39/67/69/293396769.db2.gz KDRZYHASVGQFFK-OLZOCXBDSA-N 1 0 295.387 1.816 20 5 CDBDRO CNc1ccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000569307252 294184949 /nfs/dbraw/zinc/18/49/49/294184949.db2.gz QQSZWMPQAKZQSS-MFKMUULPSA-N 1 0 290.323 1.070 20 5 CDBDRO COc1cccc(C(=O)NCC2=CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000570833224 294319080 /nfs/dbraw/zinc/31/90/80/294319080.db2.gz YMOMSIRDZCVDRH-UHFFFAOYSA-N 1 0 291.307 1.253 20 5 CDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@H](C)O ZINC000571428981 294433982 /nfs/dbraw/zinc/43/39/82/294433982.db2.gz UQXDXAYMZZHTDY-MNOVXSKESA-N 1 0 295.339 1.672 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000294710125 298395190 /nfs/dbraw/zinc/39/51/90/298395190.db2.gz BLIOBCHZCLRWFV-SNVBAGLBSA-N 1 0 281.312 1.217 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000163502651 301951654 /nfs/dbraw/zinc/95/16/54/301951654.db2.gz KNGFKMCJWJJONW-PWSUYJOCSA-N 1 0 291.351 1.960 20 5 CDBDRO CN1CCO[C@@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000351187747 316243003 /nfs/dbraw/zinc/24/30/03/316243003.db2.gz RZEDYQNNUIYRFN-LLVKDONJSA-N 1 0 290.279 1.648 20 5 CDBDRO C[NH2+]CCSCCOc1ccccc1[N+](=O)[O-] ZINC000566970648 316713638 /nfs/dbraw/zinc/71/36/38/316713638.db2.gz DYRKEYRWPSWAOG-UHFFFAOYSA-N 1 0 256.327 1.926 20 5 CDBDRO CNc1ccc(C(=O)NCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000576704520 317190817 /nfs/dbraw/zinc/19/08/17/317190817.db2.gz FSKVEMZVFWLJDH-UHFFFAOYSA-N 1 0 292.339 1.508 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000382450558 323641581 /nfs/dbraw/zinc/64/15/81/323641581.db2.gz DYDBDFBEUISSQY-KWQFWETISA-N 1 0 281.287 1.591 20 5 CDBDRO O=c1ccn(CCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000580070728 324358325 /nfs/dbraw/zinc/35/83/25/324358325.db2.gz WGEWDMFIQZZGAT-UHFFFAOYSA-N 1 0 251.286 1.146 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[NH2+]C(C)C)n1 ZINC000580174249 324388039 /nfs/dbraw/zinc/38/80/39/324388039.db2.gz YYMWRVUYFRSMOT-UHFFFAOYSA-N 1 0 296.327 1.576 20 5 CDBDRO C[C@@H]1C[C@@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580423090 324458074 /nfs/dbraw/zinc/45/80/74/324458074.db2.gz DLKQZROAKFHQSY-WZRBSPASSA-N 1 0 280.324 1.580 20 5 CDBDRO CC(C)[NH2+]CCCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000581190343 324674564 /nfs/dbraw/zinc/67/45/64/324674564.db2.gz XJLLHGKHOLCQLC-UHFFFAOYSA-N 1 0 295.339 1.478 20 5 CDBDRO C[C@H](CCCO)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000581488873 324761316 /nfs/dbraw/zinc/76/13/16/324761316.db2.gz CVIDBAUDTVCVAI-NEPJUHHUSA-N 1 0 298.339 1.085 20 5 CDBDRO CC[N@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000582592759 325004496 /nfs/dbraw/zinc/00/44/96/325004496.db2.gz QQVBBBFTRLPMPU-JTQLQIEISA-N 1 0 282.319 1.907 20 5 CDBDRO CNc1ccc(C(=O)N2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000583202860 325127233 /nfs/dbraw/zinc/12/72/33/325127233.db2.gz VBJYYFZHIOFHRH-VIFPVBQESA-N 1 0 278.312 1.070 20 5 CDBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000048484593 521583511 /nfs/dbraw/zinc/58/35/11/521583511.db2.gz XUMSBFMAWAWYQV-UHFFFAOYSA-N 1 0 250.302 1.886 20 5 CDBDRO O=[N+]([O-])c1cncc(Cl)c1NCC12CC[NH+](CC1)CC2 ZINC001169795892 1162017508 /nfs/dbraw/zinc/01/75/08/1162017508.db2.gz GEVNZEVHUGSSLP-UHFFFAOYSA-N 1 0 296.758 1.963 20 5 CDBDRO CC(C)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000067386955 519717468 /nfs/dbraw/zinc/71/74/68/519717468.db2.gz SJBKMVIDDYCTHI-UHFFFAOYSA-N 1 0 295.339 1.417 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000236820047 519916217 /nfs/dbraw/zinc/91/62/17/519916217.db2.gz JMSQPDOCGQTBJA-UHFFFAOYSA-N 1 0 281.312 1.333 20 5 CDBDRO CC[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000337027995 521641605 /nfs/dbraw/zinc/64/16/05/521641605.db2.gz WLSQSWCDOCEXTP-SECBINFHSA-N 1 0 270.358 1.617 20 5 CDBDRO O=C(C[NH2+]C1(CO)CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000304912700 534585237 /nfs/dbraw/zinc/58/52/37/534585237.db2.gz WODBZFCPIKYPPZ-UHFFFAOYSA-N 1 0 293.323 1.428 20 5 CDBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000337258938 522744421 /nfs/dbraw/zinc/74/44/21/522744421.db2.gz VIINUVKKISQFKG-UHFFFAOYSA-N 1 0 280.328 1.481 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000417936311 534667360 /nfs/dbraw/zinc/66/73/60/534667360.db2.gz HGYDKINGKMGUDF-CYBMUJFWSA-N 1 0 292.339 1.174 20 5 CDBDRO COc1ccc(C(=O)N2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000050246270 523662815 /nfs/dbraw/zinc/66/28/15/523662815.db2.gz CINRQUDEFLDUID-SECBINFHSA-N 1 0 279.296 1.024 20 5 CDBDRO C[NH+](C)C(C)(C)CNc1ccc([N+](=O)[O-])c2nonc21 ZINC000054613545 524033619 /nfs/dbraw/zinc/03/36/19/524033619.db2.gz IFXJHRQKRDDLDO-UHFFFAOYSA-N 1 0 279.300 1.883 20 5 CDBDRO COc1ccc(C[NH2+][C@H](C)Cn2ccnc2)cc1[N+](=O)[O-] ZINC000049235665 524089052 /nfs/dbraw/zinc/08/90/52/524089052.db2.gz WMIUMJVHOYYTSI-LLVKDONJSA-N 1 0 290.323 1.978 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000063192681 525008225 /nfs/dbraw/zinc/00/82/25/525008225.db2.gz DEEHCZZNDCVXTJ-PWSUYJOCSA-N 1 0 277.324 1.937 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H](C[NH3+])CC[C@@H]1C ZINC000070183051 525576238 /nfs/dbraw/zinc/57/62/38/525576238.db2.gz RVJBVLSHVJQKQT-WDEREUQCSA-N 1 0 264.329 1.862 20 5 CDBDRO COc1cccc(C(=O)NC[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000341283191 525817811 /nfs/dbraw/zinc/81/78/11/525817811.db2.gz WSVCDONUQCBZMR-SNVBAGLBSA-N 1 0 295.339 1.531 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000365252165 526127125 /nfs/dbraw/zinc/12/71/25/526127125.db2.gz AHXHAPSTGYPHNG-AAEUAGOBSA-N 1 0 289.335 1.727 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)C[C@@H]12 ZINC000185022516 527368997 /nfs/dbraw/zinc/36/89/97/527368997.db2.gz AQJQMGQCSXMBCY-IWSPIJDZSA-N 1 0 281.337 1.466 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000422696466 535425637 /nfs/dbraw/zinc/42/56/37/535425637.db2.gz XHLMDRPBVSHJKZ-SNVBAGLBSA-N 1 0 293.323 1.557 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261736878 536144660 /nfs/dbraw/zinc/14/46/60/536144660.db2.gz LRYKMPAZFYXWLE-GHMZBOCLSA-N 1 0 279.344 1.308 20 5 CDBDRO C[NH2+][C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000261695083 536361989 /nfs/dbraw/zinc/36/19/89/536361989.db2.gz FOMWQEODLUSPJF-GFCCVEGCSA-N 1 0 279.340 1.657 20 5 CDBDRO COc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)cc1[N+](=O)[O-] ZINC000261830263 536731715 /nfs/dbraw/zinc/73/17/15/536731715.db2.gz USQMVRYYRRIANC-PSASIEDQSA-N 1 0 279.296 1.165 20 5 CDBDRO Cc1nn(C[NH+]2CCCC2)c2ncc([N+](=O)[O-])cc12 ZINC000749936491 574555640 /nfs/dbraw/zinc/55/56/40/574555640.db2.gz CXKWAKOVJDMWHB-UHFFFAOYSA-N 1 0 261.285 1.701 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H](CO)C1CC1 ZINC000771816587 575702587 /nfs/dbraw/zinc/70/25/87/575702587.db2.gz YOKMYBMWMJVOMD-NSHDSACASA-N 1 0 254.261 1.594 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000770685267 575486578 /nfs/dbraw/zinc/48/65/78/575486578.db2.gz PGDNJEVOQNEXNF-HNNXBMFYSA-N 1 0 293.367 1.654 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](CCO)C2CC2)cc1 ZINC000771804780 575614575 /nfs/dbraw/zinc/61/45/75/575614575.db2.gz RLDGCSNSAQMLNG-CQSZACIVSA-N 1 0 280.324 1.724 20 5 CDBDRO Cc1nc(N2CC[NH+](CCCCO)CC2)ccc1[N+](=O)[O-] ZINC000760469022 576486019 /nfs/dbraw/zinc/48/60/19/576486019.db2.gz AJPLFRCTNKLDFH-UHFFFAOYSA-N 1 0 294.355 1.193 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+](CCCCO)CC1 ZINC000741747638 576570900 /nfs/dbraw/zinc/57/09/00/576570900.db2.gz DLDQWWNKKSTVMZ-UHFFFAOYSA-N 1 0 297.330 1.628 20 5 CDBDRO CC[C@H](C(=O)OCCn1ccc([N+](=O)[O-])n1)[NH+](CC)CC ZINC000748128400 576896567 /nfs/dbraw/zinc/89/65/67/576896567.db2.gz GXPSFILMJAUEMP-LLVKDONJSA-N 1 0 298.343 1.455 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCCOC2)c1 ZINC000749689232 576958050 /nfs/dbraw/zinc/95/80/50/576958050.db2.gz NMAXLSOFDABEAZ-BXUZGUMPSA-N 1 0 280.324 1.644 20 5 CDBDRO Cc1n[nH]c(C(=O)NC[C@@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000749734196 576960065 /nfs/dbraw/zinc/96/00/65/576960065.db2.gz FXVKNRGPXWTJNY-SECBINFHSA-N 1 0 295.343 1.231 20 5 CDBDRO CO[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750068851 576974833 /nfs/dbraw/zinc/97/48/33/576974833.db2.gz BFKQNKYDHXRYNA-OLZOCXBDSA-N 1 0 266.297 1.349 20 5 CDBDRO Cc1ncoc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000894580845 618974728 /nfs/dbraw/zinc/97/47/28/618974728.db2.gz WLVJQYSIWSQYHY-UHFFFAOYSA-N 1 0 291.311 1.925 20 5 CDBDRO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCOCN3)c2c1 ZINC000895926117 619904760 /nfs/dbraw/zinc/90/47/60/619904760.db2.gz WJTRFXABTFDVKL-UHFFFAOYSA-N 1 0 260.253 1.442 20 5 CDBDRO CCC(CC)C(=O)N1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000899871301 622496569 /nfs/dbraw/zinc/49/65/69/622496569.db2.gz PAHQXNKQPMOCGO-UHFFFAOYSA-N 1 0 271.361 1.280 20 5 CDBDRO CNc1ccc(C)cc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000902336803 624695511 /nfs/dbraw/zinc/69/55/11/624695511.db2.gz FSNLSFGOUZJPOV-UHFFFAOYSA-N 1 0 289.339 1.931 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](F)C1 ZINC000902994500 625742896 /nfs/dbraw/zinc/74/28/96/625742896.db2.gz CZRBZBSLGMYVDF-SNVBAGLBSA-N 1 0 269.276 1.190 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@H]3CCC[NH2+]3)C2)nc1 ZINC000903445697 625999351 /nfs/dbraw/zinc/99/93/51/625999351.db2.gz NEXPOPULAIDKEE-NEPJUHHUSA-N 1 0 291.355 1.228 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000905067041 626614310 /nfs/dbraw/zinc/61/43/10/626614310.db2.gz YDJXATRWVLVJRC-JTQLQIEISA-N 1 0 285.294 1.657 20 5 CDBDRO COc1cc(OC)c(CC[NH2+]CC[N+](=O)[O-])c(OC)c1 ZINC000905100083 626619976 /nfs/dbraw/zinc/61/99/76/626619976.db2.gz ATSZGKGSQVUDDD-UHFFFAOYSA-N 1 0 284.312 1.121 20 5 CDBDRO CC(C)(C)OC(=O)NC1(C[NH2+]CC[N+](=O)[O-])CCC1 ZINC000905207459 626692145 /nfs/dbraw/zinc/69/21/45/626692145.db2.gz HDCGDTOIUZQADB-UHFFFAOYSA-N 1 0 273.333 1.300 20 5 CDBDRO COCCOCc1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905262244 626711986 /nfs/dbraw/zinc/71/19/86/626711986.db2.gz FYGJGNYQPQYOGH-UHFFFAOYSA-N 1 0 268.313 1.216 20 5 CDBDRO C[N@@H+]1CC[C@@H]1CNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000905651361 626900442 /nfs/dbraw/zinc/90/04/42/626900442.db2.gz NBOAQHOBJICWBH-LLVKDONJSA-N 1 0 280.353 1.585 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC[C@H](O)C2CC2)cc1 ZINC000905690585 626917969 /nfs/dbraw/zinc/91/79/69/626917969.db2.gz GOHHILPLVIDCKW-UONOGXRCSA-N 1 0 280.324 1.379 20 5 CDBDRO C[C@]1([NH3+])CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000906634394 627362196 /nfs/dbraw/zinc/36/21/96/627362196.db2.gz AOSPVTASHRYIGB-GUTXKFCHSA-N 1 0 289.335 1.648 20 5 CDBDRO CC[C@@H](CO)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000915875574 631848821 /nfs/dbraw/zinc/84/88/21/631848821.db2.gz RZXKXRVUEVHWGV-UWVGGRQHSA-N 1 0 281.312 1.282 20 5 CDBDRO CC(C)[NH+]1CCN(CCCn2ccnc2[N+](=O)[O-])CC1 ZINC000918379477 632362974 /nfs/dbraw/zinc/36/29/74/632362974.db2.gz YDHJFLNGOOMWGC-UHFFFAOYSA-N 1 0 281.360 1.207 20 5 CDBDRO COc1ccc(C[C@@H](C)N[C@@H]2C[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC001170306464 1162339164 /nfs/dbraw/zinc/33/91/64/1162339164.db2.gz VNUAAAIAJFUMMI-GGZOMVNGSA-N 1 0 265.313 1.224 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC001170308118 1162340186 /nfs/dbraw/zinc/34/01/86/1162340186.db2.gz KOUWAILVKZGWAH-GHMZBOCLSA-N 1 0 282.340 1.752 20 5 CDBDRO COc1cc(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)ccc1O ZINC001168966547 1161995757 /nfs/dbraw/zinc/99/57/57/1161995757.db2.gz JKLXHRQAEHAZGD-STQMWFEESA-N 1 0 294.351 1.978 20 5 CDBDRO [NH3+]Cc1ccn(-c2ncnc3ccc([N+](=O)[O-])cc32)c1 ZINC001158763894 1163541020 /nfs/dbraw/zinc/54/10/20/1163541020.db2.gz KMNRZAHBGLWHKD-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000826069558 1166243362 /nfs/dbraw/zinc/24/33/62/1166243362.db2.gz ZJTIKYIGJQDZEO-NSHDSACASA-N 1 0 287.404 1.914 20 5 CDBDRO Cc1cc(Cl)nc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)c1[N+](=O)[O-] ZINC001155502605 1167200870 /nfs/dbraw/zinc/20/08/70/1167200870.db2.gz ITBJUNIJIOEUPJ-IWSPIJDZSA-N 1 0 298.730 1.350 20 5 CDBDRO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC001575070684 1171101637 /nfs/dbraw/zinc/10/16/37/1171101637.db2.gz BQTSLRGQORCCGW-HYKPAMGXSA-N 1 0 289.335 1.707 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001576612732 1171468019 /nfs/dbraw/zinc/46/80/19/1171468019.db2.gz VCJSBNNDFOEMSP-SCZZXKLOSA-N 1 0 288.307 1.638 20 5 CDBDRO [NH3+][C@@H](CC1CC1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001580122169 1172354524 /nfs/dbraw/zinc/35/45/24/1172354524.db2.gz OPKLIKATLMVDIG-ZDUSSCGKSA-N 1 0 293.323 1.217 20 5 CDBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC001580384552 1172419971 /nfs/dbraw/zinc/41/99/71/1172419971.db2.gz KONJJXOVMQVBPY-YPMHNXCESA-N 1 0 292.339 1.322 20 5 CDBDRO O=C(NCC1C[NH2+]C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001580664656 1172505347 /nfs/dbraw/zinc/50/53/47/1172505347.db2.gz XQXGRWIAPLDIFG-QWHCGFSZSA-N 1 0 275.308 1.034 20 5 CDBDRO O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[NH2+]1 ZINC001580800134 1172543317 /nfs/dbraw/zinc/54/33/17/1172543317.db2.gz UDEWWRAQPYHCBW-LBPRGKRZSA-N 1 0 286.291 1.834 20 5 CDBDRO CN(CCC[NH3+])C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000122212261 1175239494 /nfs/dbraw/zinc/23/94/94/1175239494.db2.gz SVNMTLVOOJYNBQ-UHFFFAOYSA-N 1 0 271.704 1.669 20 5 CDBDRO CCN(C(=O)c1cc(C)cc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000137110205 1175896439 /nfs/dbraw/zinc/89/64/39/1175896439.db2.gz KXWMEOAOHIECMP-GFCCVEGCSA-N 1 0 277.324 1.727 20 5 CDBDRO O=[N+]([O-])c1cnc(O[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000236052559 1178248465 /nfs/dbraw/zinc/24/84/65/1178248465.db2.gz MSFHVVQXCWHXNV-QMMMGPOBSA-N 1 0 257.677 1.774 20 5 CDBDRO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CC1 ZINC001754349837 1185591243 /nfs/dbraw/zinc/59/12/43/1185591243.db2.gz GWAYQRLFRSOJQZ-UHFFFAOYSA-N 1 0 291.351 1.943 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)C1C[NH2+]C1 ZINC000423670084 1186729739 /nfs/dbraw/zinc/72/97/39/1186729739.db2.gz YXNGLRBXUPWPTJ-UHFFFAOYSA-N 1 0 263.297 1.255 20 5 CDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1(CF)CC1 ZINC001133631940 1163822320 /nfs/dbraw/zinc/82/23/20/1163822320.db2.gz LZDBENMRYRMFLO-UHFFFAOYSA-N 1 0 295.314 1.550 20 5 CDBDRO Cc1cc(-c2nc(C3([NH3+])CCC3)no2)c(N)c([N+](=O)[O-])c1 ZINC000261982499 711847526 /nfs/dbraw/zinc/84/75/26/711847526.db2.gz ROMWGNJNWYPDCF-UHFFFAOYSA-N 1 0 289.295 1.873 20 5 CDBDRO O=C(NCC[NH+]1CCC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935045032 711860116 /nfs/dbraw/zinc/86/01/16/711860116.db2.gz DQMRMUPQEYCCAR-KBPBESRZSA-N 1 0 289.335 1.520 20 5 CDBDRO Cc1cc(NC[C@@H](O)C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000717418172 711861705 /nfs/dbraw/zinc/86/17/05/711861705.db2.gz ZKDQDSPUYNOIDI-SECBINFHSA-N 1 0 271.292 1.377 20 5 CDBDRO C[NH+](C)C1(C)CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000931351522 711866933 /nfs/dbraw/zinc/86/69/33/711866933.db2.gz PVTBCHQGEHHJGT-UHFFFAOYSA-N 1 0 281.360 1.207 20 5 CDBDRO Cc1c(C[NH2+][C@H]2CCC(=O)N(C)C2=O)cccc1[N+](=O)[O-] ZINC000090030366 711902652 /nfs/dbraw/zinc/90/26/52/711902652.db2.gz ZUQVBHPRTKKIFM-NSHDSACASA-N 1 0 291.307 1.140 20 5 CDBDRO COCCOC[C@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819104510 711916518 /nfs/dbraw/zinc/91/65/18/711916518.db2.gz QRAJNLJBGRNMRK-FZMZJTMJSA-N 1 0 298.339 1.269 20 5 CDBDRO O=[N+]([O-])CC[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000791054383 711922519 /nfs/dbraw/zinc/92/25/19/711922519.db2.gz ZZVUICXFYBQSLL-UHFFFAOYSA-N 1 0 250.298 1.881 20 5 CDBDRO CC[NH2+]CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841232232 711955671 /nfs/dbraw/zinc/95/56/71/711955671.db2.gz BWNCBVFRPNFYHB-UHFFFAOYSA-N 1 0 286.719 1.979 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886249837 711962110 /nfs/dbraw/zinc/96/21/10/711962110.db2.gz UGNCAZRZHXPLMV-OJNYZHBWSA-N 1 0 280.324 1.185 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819059957 712003397 /nfs/dbraw/zinc/00/33/97/712003397.db2.gz JGFAEQPIMGZECP-RISCZKNCSA-N 1 0 281.356 1.558 20 5 CDBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839765914 712022389 /nfs/dbraw/zinc/02/23/89/712022389.db2.gz YCOKLJQLBWSWFR-CHWSQXEVSA-N 1 0 295.339 1.225 20 5 CDBDRO C[N@@H+]1CC[C@@H]1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000712540912 712033822 /nfs/dbraw/zinc/03/38/22/712033822.db2.gz COKOMEYHYQDVSA-SSDOTTSWSA-N 1 0 267.314 1.420 20 5 CDBDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2cccnc2[N+](=O)[O-])[C@@H]1C ZINC000886841708 712034236 /nfs/dbraw/zinc/03/42/36/712034236.db2.gz SPNSWFBJPVVPDX-WZRBSPASSA-N 1 0 278.356 1.938 20 5 CDBDRO O=[N+]([O-])c1ccc(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000328470055 712055536 /nfs/dbraw/zinc/05/55/36/712055536.db2.gz ZGTWCJCBGHBYIZ-WPTOEGHWSA-N 1 0 273.336 1.681 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCC[C@H]2CCO)c1 ZINC000250065039 712089621 /nfs/dbraw/zinc/08/96/21/712089621.db2.gz WSJQFUPXSPNJIQ-ZFWWWQNUSA-N 1 0 294.351 1.865 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCC[C@@H]2CCO)cc1 ZINC000794577321 712123799 /nfs/dbraw/zinc/12/37/99/712123799.db2.gz PIQXYGKESYMBMR-BYCMXARLSA-N 1 0 294.351 1.769 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)NC2=O)cc1[N+](=O)[O-] ZINC000089751398 712129883 /nfs/dbraw/zinc/12/98/83/712129883.db2.gz NEHHQYOHPSUMKZ-GXSJLCMTSA-N 1 0 291.307 1.359 20 5 CDBDRO COc1c(O)ccc(CN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000891391100 712177453 /nfs/dbraw/zinc/17/74/53/712177453.db2.gz SLLHNBCUAGQGRT-UHFFFAOYSA-N 1 0 281.312 1.056 20 5 CDBDRO Cc1c(C[NH2+][C@@H](CO)C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000886220306 712184669 /nfs/dbraw/zinc/18/46/69/712184669.db2.gz GGCJMGLGKAHRLP-ZIAGYGMSSA-N 1 0 294.351 1.923 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CCC([NH3+])CC1 ZINC000091549548 712237348 /nfs/dbraw/zinc/23/73/48/712237348.db2.gz XHVINKSDTXMUSZ-UHFFFAOYSA-N 1 0 267.333 1.801 20 5 CDBDRO Cc1nn(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c(C)c1[N+](=O)[O-] ZINC000884482450 712260305 /nfs/dbraw/zinc/26/03/05/712260305.db2.gz BJWTWJWOHIMMFN-CHWSQXEVSA-N 1 0 294.355 1.867 20 5 CDBDRO COC[C@@H](O)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866353298 712265725 /nfs/dbraw/zinc/26/57/25/712265725.db2.gz FYJLNUNTBQSMSY-SKDRFNHKSA-N 1 0 286.303 1.262 20 5 CDBDRO C[C@H]1COC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000932493685 712283243 /nfs/dbraw/zinc/28/32/43/712283243.db2.gz CDRNPSWWVOTRLW-GXFFZTMASA-N 1 0 293.323 1.548 20 5 CDBDRO Cc1cc(Cc2noc(C[C@H](C)[NH3+])n2)ccc1[N+](=O)[O-] ZINC000843191926 712289808 /nfs/dbraw/zinc/28/98/08/712289808.db2.gz OGCKZERTFUZGHQ-VIFPVBQESA-N 1 0 276.296 1.767 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@H]4[NH2+]CC[C@@H]43)nc2c1 ZINC000864599146 712335321 /nfs/dbraw/zinc/33/53/21/712335321.db2.gz JOSAJLMCZKBSEX-YPMHNXCESA-N 1 0 287.323 1.802 20 5 CDBDRO COc1c(C(=O)OCCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000792278007 712345729 /nfs/dbraw/zinc/34/57/29/712345729.db2.gz DUKLDWLKZLFRKR-UHFFFAOYSA-N 1 0 282.296 1.712 20 5 CDBDRO [NH3+][C@@H]1C[C@@H]1c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000822790631 712372106 /nfs/dbraw/zinc/37/21/06/712372106.db2.gz JTPJFXJPZOPSTF-DTWKUNHWSA-N 1 0 289.295 1.447 20 5 CDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000843798140 712384180 /nfs/dbraw/zinc/38/41/80/712384180.db2.gz QUIKWIJLZPVLBX-SNVBAGLBSA-N 1 0 295.314 1.866 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@](C)(O)C[NH+](C)C ZINC000873094628 712405304 /nfs/dbraw/zinc/40/53/04/712405304.db2.gz LSLOJUNORNQZBR-HNNXBMFYSA-N 1 0 295.383 1.614 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000111303894 712415642 /nfs/dbraw/zinc/41/56/42/712415642.db2.gz QPHMCVKKRYPVGA-SSDOTTSWSA-N 1 0 271.704 1.715 20 5 CDBDRO C[C@H](C[C@H](C)O)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815614922 712441833 /nfs/dbraw/zinc/44/18/33/712441833.db2.gz DKZAIRUBNLTPPU-KXUCPTDWSA-N 1 0 267.329 1.987 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000700609233 712466506 /nfs/dbraw/zinc/46/65/06/712466506.db2.gz VVZRLJWGGIBOCT-QMMMGPOBSA-N 1 0 269.688 1.421 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[NH2+]CC1 ZINC000035057804 712487516 /nfs/dbraw/zinc/48/75/16/712487516.db2.gz VQOBONSFTYSEPU-UHFFFAOYSA-N 1 0 253.277 1.529 20 5 CDBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886032687 712495208 /nfs/dbraw/zinc/49/52/08/712495208.db2.gz LNGUZTKFMDWFNX-LBPRGKRZSA-N 1 0 278.356 1.763 20 5 CDBDRO C[C@@H]([NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000873192580 712511557 /nfs/dbraw/zinc/51/15/57/712511557.db2.gz DMXLBKUQLFCKOX-OWYVNGRQSA-N 1 0 280.324 1.377 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CCCCCCC2)c1 ZINC000037876913 712518132 /nfs/dbraw/zinc/51/81/32/712518132.db2.gz QMMKPXYOYATVKR-CQSZACIVSA-N 1 0 296.371 1.855 20 5 CDBDRO C[NH+](C)CCCOC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000791777337 712520819 /nfs/dbraw/zinc/52/08/19/712520819.db2.gz QZVIBXKNVIRXDN-UHFFFAOYSA-N 1 0 281.312 1.502 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000131246426 712523394 /nfs/dbraw/zinc/52/33/94/712523394.db2.gz BALNWEFLDGPPAR-RKDXNWHRSA-N 1 0 267.716 1.904 20 5 CDBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000825863157 712526777 /nfs/dbraw/zinc/52/67/77/712526777.db2.gz MQGKXSMHUDRLFF-LBPRGKRZSA-N 1 0 285.388 1.622 20 5 CDBDRO CC[C@H](CCO)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843077723 712680758 /nfs/dbraw/zinc/68/07/58/712680758.db2.gz GLYGQBLLSJWMDM-BXUZGUMPSA-N 1 0 282.340 1.626 20 5 CDBDRO CC(=O)c1c(NCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000881736501 712698528 /nfs/dbraw/zinc/69/85/28/712698528.db2.gz CTALCEPHZDMLCU-UHFFFAOYSA-N 1 0 251.286 1.771 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H](CCO)C1CC1 ZINC000886129377 712701495 /nfs/dbraw/zinc/70/14/95/712701495.db2.gz CVSSHZQMZCYTSY-LLVKDONJSA-N 1 0 251.286 1.240 20 5 CDBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c1[N+](=O)[O-] ZINC000893907007 712748383 /nfs/dbraw/zinc/74/83/83/712748383.db2.gz GIGUXBPQZPTNKV-KOLCDFICSA-N 1 0 296.323 1.512 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000088055699 712753012 /nfs/dbraw/zinc/75/30/12/712753012.db2.gz NOXGGNGSIJMEIL-ONGXEEELSA-N 1 0 295.314 1.946 20 5 CDBDRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000724880197 712757880 /nfs/dbraw/zinc/75/78/80/712757880.db2.gz MFZNPUBQMHHBCV-TZMCWYRMSA-N 1 0 280.324 1.797 20 5 CDBDRO Cc1c(C[NH2+]CCc2nnc[nH]2)cccc1[N+](=O)[O-] ZINC000873073306 712799681 /nfs/dbraw/zinc/79/96/81/712799681.db2.gz PTIVZNYTGYLYBN-UHFFFAOYSA-N 1 0 261.285 1.354 20 5 CDBDRO COc1nc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001164635697 719169706 /nfs/dbraw/zinc/16/97/06/719169706.db2.gz LGVHDMBTJXGVLT-ZJUUUORDSA-N 1 0 280.328 1.527 20 5 CDBDRO Cc1ccnc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC001164635776 719171281 /nfs/dbraw/zinc/17/12/81/719171281.db2.gz LSBNGKCCAYIVHP-WDEREUQCSA-N 1 0 264.329 1.827 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC(C)=O)c1F ZINC001173176554 912281033 /nfs/dbraw/zinc/28/10/33/912281033.db2.gz HXATUHVZIYFCTC-MRVPVSSYSA-N 1 0 284.287 1.852 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC([NH3+])C2)c1F ZINC001173176377 912283185 /nfs/dbraw/zinc/28/31/85/912283185.db2.gz GWIBTLCXVJGLER-QMMMGPOBSA-N 1 0 283.303 1.316 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC(=O)NC1 ZINC001173215397 912299266 /nfs/dbraw/zinc/29/92/66/912299266.db2.gz WCQKXKAREHYXMD-PWSUYJOCSA-N 1 0 277.324 1.394 20 5 CDBDRO COC(=O)c1cccc(O)c1CO[C@@H](C)C[N+](C)(C)C ZINC001217892233 897999312 /nfs/dbraw/zinc/99/93/12/897999312.db2.gz NQBHRYOSRGGKPP-NSHDSACASA-O 1 0 282.360 1.790 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(O[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001218286443 898612945 /nfs/dbraw/zinc/61/29/45/898612945.db2.gz TZSCDTGGVDEPAT-VIFPVBQESA-N 1 0 281.268 1.942 20 5 CDBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000107571201 901398927 /nfs/dbraw/zinc/39/89/27/901398927.db2.gz BTSHTGSIINQDGE-IUCAKERBSA-N 1 0 278.268 1.159 20 5 CDBDRO COc1cc([N+](=O)[O-])c(NC(=N)SCC[NH3+])cc1F ZINC001167914707 902121924 /nfs/dbraw/zinc/12/19/24/902121924.db2.gz OSICFSDNIDYFSP-UHFFFAOYSA-N 1 0 288.304 1.781 20 5 CDBDRO N=C(Nc1ccc2ncc([N+](=O)[O-])n2c1)SCC[NH3+] ZINC001167915057 902176321 /nfs/dbraw/zinc/17/63/21/902176321.db2.gz QOGXDOINBWWOSA-UHFFFAOYSA-N 1 0 280.313 1.281 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](Oc2ncc(F)cc2[N+](=O)[O-])C1 ZINC001226751603 905570593 /nfs/dbraw/zinc/57/05/93/905570593.db2.gz MRMAKJOAUFHNSM-JTQLQIEISA-N 1 0 269.276 1.990 20 5 CDBDRO [NH3+]CCCc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000843218886 921282766 /nfs/dbraw/zinc/28/27/66/921282766.db2.gz IUSJLUGVXHTLRV-UHFFFAOYSA-N 1 0 254.271 1.598 20 5 CDBDRO C[N@H+](CCCOC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccccc1 ZINC000842320653 909710329 /nfs/dbraw/zinc/71/03/29/909710329.db2.gz WEGRKMNAAHJGOR-ZIAGYGMSSA-N 1 0 292.335 1.717 20 5 CDBDRO NCC1([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172900360 912038891 /nfs/dbraw/zinc/03/88/91/912038891.db2.gz CXCZMHMIJGNSKA-CYBMUJFWSA-N 1 0 275.352 1.923 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1C[C@@H](O)[C@@H](F)C1)CC2 ZINC001172904762 912039821 /nfs/dbraw/zinc/03/98/21/912039821.db2.gz AJAVQNMQCWZEJQ-AEGPPILISA-N 1 0 294.326 1.857 20 5 CDBDRO NC(=[NH2+])c1nccn1-c1ccc([N+](=O)[O-])c2cnccc21 ZINC001168415269 912102465 /nfs/dbraw/zinc/10/24/65/912102465.db2.gz DFSRTQGCZTWIEY-UHFFFAOYSA-N 1 0 282.263 1.613 20 5 CDBDRO CCC[C@@H](O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843074582 919408692 /nfs/dbraw/zinc/40/86/92/919408692.db2.gz NBOAQBLNSLZEGS-OLZOCXBDSA-N 1 0 268.313 1.379 20 5 CDBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000704244951 922864025 /nfs/dbraw/zinc/86/40/25/922864025.db2.gz BZAZKHVWJLSVKB-SECBINFHSA-N 1 0 299.714 1.048 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000836848102 936805275 /nfs/dbraw/zinc/80/52/75/936805275.db2.gz BRXDGDXGJYGXEQ-RNCFNFMXSA-N 1 0 293.298 1.510 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(O)(C[NH+](C)C)CC2)n1 ZINC000823684614 925720756 /nfs/dbraw/zinc/72/07/56/925720756.db2.gz VSZJGSHHYFDKNS-UHFFFAOYSA-N 1 0 294.355 1.191 20 5 CDBDRO C[NH2+]C[C@@H](C)c1noc(-c2c([N+](=O)[O-])c(C)nn2C)n1 ZINC000842580086 937062770 /nfs/dbraw/zinc/06/27/70/937062770.db2.gz GLFAMCACINZBIU-ZCFIWIBFSA-N 1 0 280.288 1.010 20 5 CDBDRO Cn1c(-c2nc([C@H]3CCC[NH2+]C3)no2)ccc1[N+](=O)[O-] ZINC000842664348 937069862 /nfs/dbraw/zinc/06/98/62/937069862.db2.gz CJVJEMFFBQDQAG-QMMMGPOBSA-N 1 0 277.284 1.450 20 5 CDBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccc([N+](=O)[O-])c(N)n1 ZINC001155024010 926416422 /nfs/dbraw/zinc/41/64/22/926416422.db2.gz GMVYDQNJSGUHPG-ZJUUUORDSA-N 1 0 279.344 1.620 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2COCCC23C[NH2+]C3)c(Cl)c1 ZINC001155461996 926845851 /nfs/dbraw/zinc/84/58/51/926845851.db2.gz NLXFDKFWTHPCRV-SNVBAGLBSA-N 1 0 298.730 1.434 20 5 CDBDRO [NH3+]CCN(c1cccnc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168977000 927563929 /nfs/dbraw/zinc/56/39/29/927563929.db2.gz GRJKQYRXMCZKNL-VXGBXAGGSA-N 1 0 264.329 1.292 20 5 CDBDRO CCOC(CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)OCC ZINC001168978245 927565548 /nfs/dbraw/zinc/56/55/48/927565548.db2.gz QGTSBHNNGMEXHL-NEPJUHHUSA-N 1 0 274.361 1.811 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](CO)Cc2cccc(F)c2)C1 ZINC001168984764 927573332 /nfs/dbraw/zinc/57/33/32/927573332.db2.gz AGFKVIPSBANORY-BPLDGKMQSA-N 1 0 296.342 1.764 20 5 CDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168983746 927573542 /nfs/dbraw/zinc/57/35/42/927573542.db2.gz LDOJACHUFZAPRF-KKOKHZNYSA-N 1 0 270.329 1.363 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H](CO)c2ccccc2)C1 ZINC001168956837 927577000 /nfs/dbraw/zinc/57/70/00/927577000.db2.gz FZLBFGDTJOZLSB-FPMFFAJLSA-N 1 0 264.325 1.755 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccccc2)C1 ZINC001168960233 927580592 /nfs/dbraw/zinc/58/05/92/927580592.db2.gz FAEMZOZHEWYAFI-YUTCNCBUSA-N 1 0 264.325 1.755 20 5 CDBDRO Cc1cc(C)n(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168964226 927587697 /nfs/dbraw/zinc/58/76/97/927587697.db2.gz SCABNZKDGZSVLL-CHWSQXEVSA-N 1 0 266.345 1.535 20 5 CDBDRO O=C(CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)N1CCCC1 ZINC001168965827 927589120 /nfs/dbraw/zinc/58/91/20/927589120.db2.gz COMQPNJGMSRZJI-VXGBXAGGSA-N 1 0 269.345 1.034 20 5 CDBDRO O=C(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)NC1CCCC1 ZINC001168965645 927589312 /nfs/dbraw/zinc/58/93/12/927589312.db2.gz BOGGUUZLGCQWKL-CMPLNLGQSA-N 1 0 269.345 1.080 20 5 CDBDRO N=c1sc2c(n1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC[C@H]([NH3+])C2 ZINC001168965507 927589324 /nfs/dbraw/zinc/58/93/24/927589324.db2.gz AFPAEFWPEDHABU-KXUCPTDWSA-N 1 0 296.396 1.463 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc3c2OCCO3)C1 ZINC001168971448 927593899 /nfs/dbraw/zinc/59/38/99/927593899.db2.gz LDASCROCCAIJSN-DGCLKSJQSA-N 1 0 292.335 1.993 20 5 CDBDRO C[C@@]1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@@H](O)CC1 ZINC001169001292 927606194 /nfs/dbraw/zinc/60/61/94/927606194.db2.gz FJUBSCPRUCQBFU-RNJOBUHISA-N 1 0 256.346 1.715 20 5 CDBDRO C[N@H+](Cc1nnc2ccccn21)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011838 927617559 /nfs/dbraw/zinc/61/75/59/927617559.db2.gz MRGSOZWMIOOUFA-VXGBXAGGSA-N 1 0 289.339 1.607 20 5 CDBDRO CC(C)(C)NC(=O)CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987875 927624371 /nfs/dbraw/zinc/62/43/71/927624371.db2.gz LAKWAZCYEDWTKL-MNOVXSKESA-N 1 0 271.361 1.326 20 5 CDBDRO CN(C)C(=O)N1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168988330 927624654 /nfs/dbraw/zinc/62/46/54/927624654.db2.gz QYEZVQUPUWSGNT-AAEUAGOBSA-N 1 0 298.387 1.167 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCN2CCC(F)(F)CC2)C1 ZINC001168988930 927626631 /nfs/dbraw/zinc/62/66/31/927626631.db2.gz VCOZLLCEYRFXPD-NEPJUHHUSA-N 1 0 291.342 1.753 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCc3nc(Cl)ncc3C2)C1 ZINC001169038447 927650903 /nfs/dbraw/zinc/65/09/03/927650903.db2.gz YWMYWSJRCYHORI-MWLCHTKSSA-N 1 0 296.758 1.934 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3OCC[C@H]3C2)C1 ZINC001169039089 927651177 /nfs/dbraw/zinc/65/11/77/927651177.db2.gz MYZWQPOCGSMXOX-MROQNXINSA-N 1 0 254.330 1.543 20 5 CDBDRO CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169019152 927660520 /nfs/dbraw/zinc/66/05/20/927660520.db2.gz FABWJLSHXQUTFB-FDYHWXHSSA-N 1 0 281.356 1.127 20 5 CDBDRO CCCCN1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169024439 927663709 /nfs/dbraw/zinc/66/37/09/927663709.db2.gz HDIHJXRJXLXOCA-KGLIPLIRSA-N 1 0 269.389 1.850 20 5 CDBDRO CN(C)[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169022499 927663775 /nfs/dbraw/zinc/66/37/75/927663775.db2.gz CGXXPHYYXHTQKG-FRRDWIJNSA-N 1 0 255.362 1.458 20 5 CDBDRO COCC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCN(C)CC1 ZINC001169021916 927663927 /nfs/dbraw/zinc/66/39/27/927663927.db2.gz BCIGBRXJGHZQQY-DZGCQCFKSA-N 1 0 299.415 1.474 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](Oc3cccnc3)C2)C1 ZINC001169025950 927667010 /nfs/dbraw/zinc/66/70/10/927667010.db2.gz KFKKIJZEFJABLK-NFAWXSAZSA-N 1 0 291.351 1.980 20 5 CDBDRO COCCCCN1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169057901 927674758 /nfs/dbraw/zinc/67/47/58/927674758.db2.gz YUSTVEHWSDJWFN-HUUCEWRRSA-N 1 0 299.415 1.476 20 5 CDBDRO O=C1CCC2(CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)N1 ZINC001169057428 927675620 /nfs/dbraw/zinc/67/56/20/927675620.db2.gz VFVYEQVOZSLBGD-RYUDHWBXSA-N 1 0 281.356 1.176 20 5 CDBDRO [NH3+]Cc1cnnn1-c1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001169309855 927947178 /nfs/dbraw/zinc/94/71/78/927947178.db2.gz MBXVRZRSCIRHSW-UHFFFAOYSA-N 1 0 258.241 1.116 20 5 CDBDRO COC(=O)Cc1ccc(-n2ccc(C[NH3+])c2)cc1[N+](=O)[O-] ZINC001169726728 928350097 /nfs/dbraw/zinc/35/00/97/928350097.db2.gz ZJCRZTDHQZVEMN-UHFFFAOYSA-N 1 0 289.291 1.560 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2ccnc2CC[NH3+])n1 ZINC001156479060 928643121 /nfs/dbraw/zinc/64/31/21/928643121.db2.gz VUHCMWLRNCVPDM-UHFFFAOYSA-N 1 0 281.703 1.639 20 5 CDBDRO C[N@@H+]1CC[C@H](Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)C1 ZINC001156580377 928790068 /nfs/dbraw/zinc/79/00/68/928790068.db2.gz APTWCSVPNXJHKO-QMMMGPOBSA-N 1 0 261.285 1.587 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000783745301 937279892 /nfs/dbraw/zinc/27/98/92/937279892.db2.gz VJPGZOBSIHKTGG-HFBOFBSRSA-N 1 0 274.320 1.922 20 5 CDBDRO [NH3+]Cc1ccc2nnn(-c3cccnc3[N+](=O)[O-])c2c1 ZINC001170023670 929058781 /nfs/dbraw/zinc/05/87/81/929058781.db2.gz KYOCRNVLGYPCLX-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCS(C)(=O)=O ZINC000786814400 929278308 /nfs/dbraw/zinc/27/83/08/929278308.db2.gz WKMMDXWHLRIFLC-FLIBITNWSA-N 1 0 298.364 1.632 20 5 CDBDRO C[C@H]([NH2+]CC1(O)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788594343 929558121 /nfs/dbraw/zinc/55/81/21/929558121.db2.gz VFAUCAZKPWMPOD-VIFPVBQESA-N 1 0 265.313 1.743 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(F)CC1 ZINC000880239904 929638497 /nfs/dbraw/zinc/63/84/97/929638497.db2.gz JHIMABHZVHORFB-LBPRGKRZSA-N 1 0 298.314 1.768 20 5 CDBDRO C[N@@H+]1CCCC12CCN(C(=O)c1ccc([N+](=O)[O-])o1)CC2 ZINC001152577439 937373855 /nfs/dbraw/zinc/37/38/55/937373855.db2.gz BUMPJNOAWDFOSK-UHFFFAOYSA-N 1 0 293.323 1.888 20 5 CDBDRO CCCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001115530927 937390624 /nfs/dbraw/zinc/39/06/24/937390624.db2.gz ZHYBZJPOHXDMQS-CHWSQXEVSA-N 1 0 297.399 1.860 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000131620918 930187712 /nfs/dbraw/zinc/18/77/12/930187712.db2.gz PZDFRTPWQSQXAY-ZJUUUORDSA-N 1 0 267.304 1.903 20 5 CDBDRO CC[NH2+]CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000818607775 930734617 /nfs/dbraw/zinc/73/46/17/930734617.db2.gz BXLMJMWQRQKDNC-UHFFFAOYSA-N 1 0 277.324 1.695 20 5 CDBDRO COC(=O)[C@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819369859 930800685 /nfs/dbraw/zinc/80/06/85/930800685.db2.gz OVIVSMYWJRUVQT-NTZNESFSSA-N 1 0 294.307 1.169 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H](CO)C1CCCC1 ZINC000886211642 930827252 /nfs/dbraw/zinc/82/72/52/930827252.db2.gz UMLJYABACQDHIX-LBPRGKRZSA-N 1 0 265.313 1.631 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886832180 930970875 /nfs/dbraw/zinc/97/08/75/930970875.db2.gz CHHUNUSSPMMPOH-UWVGGRQHSA-N 1 0 250.302 1.159 20 5 CDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3CC[NH2+][C@H]3C)n2)n1C ZINC000823093976 931244914 /nfs/dbraw/zinc/24/49/14/931244914.db2.gz LUUYBFJJKMAWIJ-POYBYMJQSA-N 1 0 292.299 1.152 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[NH2+]C1 ZINC001246358328 931483624 /nfs/dbraw/zinc/48/36/24/931483624.db2.gz ORHGKXCTLVEUMX-WCQYABFASA-N 1 0 263.341 1.867 20 5 CDBDRO Cc1ccnc(Nc2ccc(C[NH3+])nc2)c1[N+](=O)[O-] ZINC001160396196 931519827 /nfs/dbraw/zinc/51/98/27/931519827.db2.gz DUKOISISXWRSAZ-UHFFFAOYSA-N 1 0 259.269 1.896 20 5 CDBDRO CC1(C[NH2+]CCc2cccc([N+](=O)[O-])c2)COC1 ZINC000286695975 931716522 /nfs/dbraw/zinc/71/65/22/931716522.db2.gz WCFZIAVVGXQMOF-UHFFFAOYSA-N 1 0 250.298 1.763 20 5 CDBDRO Cn1cc(-n2cc3ccc(C[NH3+])cc3n2)cc([N+](=O)[O-])c1=O ZINC001171322448 932651496 /nfs/dbraw/zinc/65/14/96/932651496.db2.gz WUBFSWWUFKDDBS-UHFFFAOYSA-N 1 0 299.290 1.091 20 5 CDBDRO CCOC(=O)CC[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000930076855 933307665 /nfs/dbraw/zinc/30/76/65/933307665.db2.gz QMWFVJMPDOTKPO-NSHDSACASA-N 1 0 258.318 1.318 20 5 CDBDRO CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001019898083 935719411 /nfs/dbraw/zinc/71/94/11/935719411.db2.gz IZHOCOFDJSDULJ-HAQNSBGRSA-N 1 0 277.324 1.742 20 5 CDBDRO CSCC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001123158764 936121081 /nfs/dbraw/zinc/12/10/81/936121081.db2.gz RVFIBMIYZQWGJA-UHFFFAOYSA-N 1 0 289.382 1.225 20 5 CDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccon1 ZINC001124191825 936294738 /nfs/dbraw/zinc/29/47/38/936294738.db2.gz RSKDMQSHNAIPRB-UHFFFAOYSA-N 1 0 290.279 1.102 20 5 CDBDRO C[C@@H]1CN(c2ccnc(F)c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001120863458 937842987 /nfs/dbraw/zinc/84/29/87/937842987.db2.gz YWWUEHNHBXIHED-OCAPTIKFSA-N 1 0 254.265 1.316 20 5 CDBDRO Cc1nc(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001156376054 938359884 /nfs/dbraw/zinc/35/98/84/938359884.db2.gz LNMFJKGDWGKVBG-BXUZGUMPSA-N 1 0 276.340 1.686 20 5 CDBDRO Cc1c(C)c(-n2ccnc2CC[NH3+])ncc1[N+](=O)[O-] ZINC001156478898 938373410 /nfs/dbraw/zinc/37/34/10/938373410.db2.gz QXAIDYZHADGOLZ-UHFFFAOYSA-N 1 0 261.285 1.294 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1ncnc2cccc([N+](=O)[O-])c21 ZINC001156855999 938426580 /nfs/dbraw/zinc/42/65/80/938426580.db2.gz LWGXICRQMANODO-UHFFFAOYSA-N 1 0 296.290 1.267 20 5 CDBDRO [NH3+]Cc1nn(-c2cc([N+](=O)[O-])cc[n+]2[O-])c2ccccc12 ZINC001156856406 938426712 /nfs/dbraw/zinc/42/67/12/938426712.db2.gz SQTCLRUQYPFBFY-UHFFFAOYSA-N 1 0 285.263 1.026 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001157270876 938473681 /nfs/dbraw/zinc/47/36/81/938473681.db2.gz GMGTXMJVSDVRJC-DGCLKSJQSA-N 1 0 292.339 1.067 20 5 CDBDRO CC(C)N(c1cc([N+](=O)[O-])ccn1)[C@@H]1CC[NH2+]C1 ZINC001158021867 938575477 /nfs/dbraw/zinc/57/54/77/938575477.db2.gz MEVVQRUWARLXSI-LLVKDONJSA-N 1 0 250.302 1.567 20 5 CDBDRO CC(C)Oc1nc(N2C[C@@H](C)[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC001158186975 938592315 /nfs/dbraw/zinc/59/23/15/938592315.db2.gz SUHDPPWOUVVSDE-GHMZBOCLSA-N 1 0 294.355 1.964 20 5 CDBDRO CCOc1nc(-n2ccc([C@@H](C)[NH3+])n2)ccc1[N+](=O)[O-] ZINC001158350565 938612664 /nfs/dbraw/zinc/61/26/64/938612664.db2.gz MDEYQKBQBIFWER-MRVPVSSYSA-N 1 0 277.284 1.594 20 5 CDBDRO Cc1c(C)c(-n2ccc([C@@H](C)[NH3+])n2)ncc1[N+](=O)[O-] ZINC001158350743 938612691 /nfs/dbraw/zinc/61/26/91/938612691.db2.gz OCXLSTWRFHUGJU-SECBINFHSA-N 1 0 261.285 1.812 20 5 CDBDRO COc1cc(N2CCC3(C[NH2+]C3)CC2)ncc1[N+](=O)[O-] ZINC001159042043 938695287 /nfs/dbraw/zinc/69/52/87/938695287.db2.gz MXXCDEQOXNNARL-UHFFFAOYSA-N 1 0 278.312 1.188 20 5 CDBDRO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ncc([N+](=O)[O-])c(C)c1C ZINC001159299825 938719102 /nfs/dbraw/zinc/71/91/02/938719102.db2.gz BLGDGBPJCGXSIJ-UHFFFAOYSA-N 1 0 291.311 1.308 20 5 CDBDRO C[C@@H](Nc1ccc2[nH]cc([N+](=O)[O-])c2n1)[C@@H]1C[NH2+]CCO1 ZINC001159498217 938733939 /nfs/dbraw/zinc/73/39/39/938733939.db2.gz KPUCOOCPNMKFPA-KCJUWKMLSA-N 1 0 291.311 1.260 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])Nc1c([N+](=O)[O-])cc[n+]([O-])c1Cl ZINC001160913448 938843185 /nfs/dbraw/zinc/84/31/85/938843185.db2.gz MUUNSIZMKGZHMN-QMMMGPOBSA-N 1 0 288.735 1.667 20 5 CDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(NC/C=C/C[NH3+])n1 ZINC001160977101 938850240 /nfs/dbraw/zinc/85/02/40/938850240.db2.gz ODTXAHBJKBFJGH-NSCUHMNNSA-N 1 0 289.748 1.687 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](Nc2cccc3ncc([N+](=O)[O-])n32)C1 ZINC001162404466 939046924 /nfs/dbraw/zinc/04/69/24/939046924.db2.gz MUIIGINJHACAEX-ZJUUUORDSA-N 1 0 275.312 1.924 20 5 CDBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1nccnc1[N+](=O)[O-] ZINC001162454518 939057783 /nfs/dbraw/zinc/05/77/83/939057783.db2.gz OQHPWPQOWVQUQQ-VHSXEESVSA-N 1 0 265.317 1.432 20 5 CDBDRO Cc1c[n+]([O-])c(NC[C@@H]2CCC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC001162456694 939059251 /nfs/dbraw/zinc/05/92/51/939059251.db2.gz YOCFFXGGCOWZKW-JQWIXIFHSA-N 1 0 294.355 1.584 20 5 CDBDRO COc1cnc(NC[C@@]2(F)CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001162579388 939092254 /nfs/dbraw/zinc/09/22/54/939092254.db2.gz JRJVACMAUBFWJE-CYBMUJFWSA-N 1 0 298.318 1.892 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(N[C@@H]3C=C[C@@H]4C[NH2+]C[C@H]34)cnc2c1 ZINC001162789374 939139225 /nfs/dbraw/zinc/13/92/25/939139225.db2.gz DFTWESHWWVRPOT-ADEWGFFLSA-N 1 0 297.318 1.724 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)nc1N[C@H]1COCCC12C[NH2+]C2 ZINC001163074382 939191026 /nfs/dbraw/zinc/19/10/26/939191026.db2.gz VHENYLRTQTYTCU-VIFPVBQESA-N 1 0 298.730 1.434 20 5 CDBDRO O=[N+]([O-])c1ncccc1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163323957 939246809 /nfs/dbraw/zinc/24/68/09/939246809.db2.gz QHPZFIZYRDLDCN-ZWNOBZJWSA-N 1 0 278.312 1.313 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)nc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001163342307 939251756 /nfs/dbraw/zinc/25/17/56/939251756.db2.gz HDNUFCWGSZTZRB-FWWHASMVSA-N 1 0 284.703 1.184 20 5 CDBDRO CN(CC[NH3+])c1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001163686671 939307828 /nfs/dbraw/zinc/30/78/28/939307828.db2.gz DUKXBYLNSZNSFS-UHFFFAOYSA-N 1 0 265.100 1.692 20 5 CDBDRO CCOC(=O)c1cnc(N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001163770986 939326261 /nfs/dbraw/zinc/32/62/61/939326261.db2.gz VGTCCIFMPZWLLQ-VIFPVBQESA-N 1 0 296.327 1.529 20 5 CDBDRO Cc1nc(N2C[C@H](C)CC[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC001164076588 939406913 /nfs/dbraw/zinc/40/69/13/939406913.db2.gz FLOVBHNHPKEBLD-SCZZXKLOSA-N 1 0 265.317 1.257 20 5 CDBDRO O=[N+]([O-])c1ccc2ccc(-n3cnc4c3C[NH2+]CC4)nc2c1 ZINC001164313629 939452617 /nfs/dbraw/zinc/45/26/17/939452617.db2.gz MUDUPYJCTQTNSH-UHFFFAOYSA-N 1 0 295.302 1.974 20 5 CDBDRO Cc1ccnc(N2C[C@H]3C[NH+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001165152793 939520244 /nfs/dbraw/zinc/52/02/44/939520244.db2.gz ZJNRCXKVIPXXHM-GHMZBOCLSA-N 1 0 262.313 1.296 20 5 CDBDRO Cc1cnc(N2CCC(F)(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001165260662 939535978 /nfs/dbraw/zinc/53/59/78/939535978.db2.gz YIKQYEOUVNMDRV-UHFFFAOYSA-N 1 0 268.292 1.565 20 5 CDBDRO CC(C)Oc1nc(N2CC[C@@H]3[NH2+]CC[C@H]32)ccc1[N+](=O)[O-] ZINC001165298278 939542382 /nfs/dbraw/zinc/54/23/82/939542382.db2.gz PIGABKDWUSRNIV-WDEREUQCSA-N 1 0 292.339 1.718 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]([NH3+])C(F)(F)C1 ZINC001166960214 939661196 /nfs/dbraw/zinc/66/11/96/939661196.db2.gz NWCJPHQNJAFOPI-SECBINFHSA-N 1 0 272.255 1.471 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C)OCCC[NH+](C)C ZINC001206296636 940013211 /nfs/dbraw/zinc/01/32/11/940013211.db2.gz ONHPKUHOYDLDAZ-JTQLQIEISA-N 1 0 270.333 1.457 20 5 CDBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[NH2+]C2)c(Cl)n1 ZINC001218283068 941051261 /nfs/dbraw/zinc/05/12/61/941051261.db2.gz DMWCBWLIIHPYSB-ZETCQYMHSA-N 1 0 257.677 1.774 20 5 CDBDRO Cc1cc(NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC001524232781 970826426 /nfs/dbraw/zinc/82/64/26/970826426.db2.gz WSZVGYVLECPNLB-SKDRFNHKSA-N 1 0 281.287 1.789 20 5 CDBDRO COC(=O)[C@@H](OCCC[N+](C)(C)C)C(F)(F)F ZINC001224619843 941776343 /nfs/dbraw/zinc/77/63/43/941776343.db2.gz SJQVVKYLNSCAPJ-MRVPVSSYSA-N 1 0 258.260 1.203 20 5 CDBDRO C[N+](C)(C)CCOC[C@@H]1CC[C@@]2(CCCCO2)O1 ZINC001224776519 941790233 /nfs/dbraw/zinc/79/02/33/941790233.db2.gz WZHYUIMREGOUMU-UONOGXRCSA-N 1 0 258.382 1.785 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ncn(-c2ccccc2)n1 ZINC001226197071 941965389 /nfs/dbraw/zinc/96/53/89/941965389.db2.gz WCQVQYJVFIASEP-LBPRGKRZSA-N 1 0 261.349 1.741 20 5 CDBDRO CC[N@@H+]1CCC[C@H](Oc2cc(OC)c([N+](=O)[O-])cn2)C1 ZINC001226581062 942029809 /nfs/dbraw/zinc/02/98/09/942029809.db2.gz KEAQRHRTWCPWQQ-JTQLQIEISA-N 1 0 281.312 1.862 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001227065111 942124966 /nfs/dbraw/zinc/12/49/66/942124966.db2.gz RMRGJSUEOWWKPE-JTQLQIEISA-N 1 0 254.310 1.772 20 5 CDBDRO COC(=O)c1ccc(O[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001227295061 942164168 /nfs/dbraw/zinc/16/41/68/942164168.db2.gz ISYRFGHALNURNY-LLVKDONJSA-N 1 0 294.307 1.854 20 5 CDBDRO COC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)c([N+](=O)[O-])c1 ZINC001227297909 942165077 /nfs/dbraw/zinc/16/50/77/942165077.db2.gz HSMZZDPLSXWCNJ-SNVBAGLBSA-N 1 0 297.331 1.855 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1nc(=O)[nH]c2sccc21 ZINC001227843989 942237460 /nfs/dbraw/zinc/23/74/60/942237460.db2.gz YUXJOABNSBLKIV-MRVPVSSYSA-O 1 0 268.362 1.870 20 5 CDBDRO CCOC(=O)c1cnoc1O[C@@H](C)C[N+](C)(C)C ZINC001228717301 942366956 /nfs/dbraw/zinc/36/69/56/942366956.db2.gz FHIBLLYFTPMXMN-VIFPVBQESA-N 1 0 257.310 1.325 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@H](C)C[NH+](C)C ZINC001229056540 942412761 /nfs/dbraw/zinc/41/27/61/942412761.db2.gz PLRFQEFLPMCRLJ-SECBINFHSA-N 1 0 282.296 1.710 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(-n2cncn2)cc1 ZINC001233920301 943690146 /nfs/dbraw/zinc/69/01/46/943690146.db2.gz FIELVWMPEWJLEY-GFCCVEGCSA-N 1 0 261.349 1.741 20 5 CDBDRO CC(C)(C)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cn1 ZINC001234177085 943764722 /nfs/dbraw/zinc/76/47/22/943764722.db2.gz RYSURFIZPYGVSX-GFCCVEGCSA-N 1 0 295.403 1.742 20 5 CDBDRO Cc1cc(NC(=O)[C@@H]2[NH2+]CC2(C)C)cc([N+](=O)[O-])c1 ZINC001263329475 943834001 /nfs/dbraw/zinc/83/40/01/943834001.db2.gz GUMLXWQBKFKEPN-NSHDSACASA-N 1 0 263.297 1.840 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(O[C@H]2C[NH+]3CCC2CC3)n1 ZINC001234880057 943965662 /nfs/dbraw/zinc/96/56/62/943965662.db2.gz WDSVWXJHOWRCPW-NSHDSACASA-N 1 0 279.296 1.471 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H](O)CF)CC2)cc1 ZINC001254472907 947450815 /nfs/dbraw/zinc/45/08/15/947450815.db2.gz UOBQPHLKSWHXCK-CQSZACIVSA-N 1 0 297.330 1.484 20 5 CDBDRO CC(=O)NCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254534596 947515570 /nfs/dbraw/zinc/51/55/70/947515570.db2.gz XVQMWZAKKWIWMT-SNVBAGLBSA-N 1 0 265.313 1.252 20 5 CDBDRO COC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254574154 947532842 /nfs/dbraw/zinc/53/28/42/947532842.db2.gz GMGYADVNYFIDGU-UPJWGTAASA-N 1 0 290.319 1.603 20 5 CDBDRO CN1CCC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254572625 947533879 /nfs/dbraw/zinc/53/38/79/947533879.db2.gz RFWTVRUHZWEOHX-KBPBESRZSA-N 1 0 275.352 1.746 20 5 CDBDRO [NH3+][C@H]1CCCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254580546 947538708 /nfs/dbraw/zinc/53/87/08/947538708.db2.gz DURFGJNGKFJVPK-JSGCOSHPSA-N 1 0 261.325 1.485 20 5 CDBDRO CN(CC[NH+](C)C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600610 947549002 /nfs/dbraw/zinc/54/90/02/947549002.db2.gz SVEUZYOXWXWHAO-CQSZACIVSA-N 1 0 263.341 1.555 20 5 CDBDRO C[N@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1(C)COC1 ZINC001254602853 947553519 /nfs/dbraw/zinc/55/35/19/947553519.db2.gz JGVMMNLCZDZPAK-CYBMUJFWSA-N 1 0 262.309 1.783 20 5 CDBDRO [NH3+]CC[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000723690137 947779434 /nfs/dbraw/zinc/77/94/34/947779434.db2.gz MGCKXMRUGGEQBA-JTQLQIEISA-N 1 0 263.297 1.406 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCNC[C@H]1F ZINC001246100225 947951043 /nfs/dbraw/zinc/95/10/43/947951043.db2.gz SIIOATUUEMRQLW-LERXQTSPSA-N 1 0 281.331 1.815 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@@H]1CC13C[NH2+]C3)C2 ZINC001246448639 948178508 /nfs/dbraw/zinc/17/85/08/948178508.db2.gz ZOFQGTDKFJNFHZ-DGCLKSJQSA-N 1 0 259.309 1.014 20 5 CDBDRO CC(C)(C)[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001252494177 951367273 /nfs/dbraw/zinc/36/72/73/951367273.db2.gz COWDZEMZKDYEDS-UHFFFAOYSA-N 1 0 281.360 1.207 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001326396158 954357701 /nfs/dbraw/zinc/35/77/01/954357701.db2.gz DPZMQYRQONCSEJ-NXEZZACHSA-N 1 0 292.339 1.636 20 5 CDBDRO CC[C@@]1(c2nc(-c3c([N+](=O)[O-])ncn3C)no2)CC[NH2+]C1 ZINC001326512983 954416807 /nfs/dbraw/zinc/41/68/07/954416807.db2.gz MOWCDGBLMFGPLO-GFCCVEGCSA-N 1 0 292.299 1.019 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327500525 954909205 /nfs/dbraw/zinc/90/92/05/954909205.db2.gz YVPHBYPKJUGQNC-SNVBAGLBSA-N 1 0 292.339 1.618 20 5 CDBDRO CCC[NH2+][C@@H](C)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328189050 955219718 /nfs/dbraw/zinc/21/97/18/955219718.db2.gz CGTISARBINNGJR-JTQLQIEISA-N 1 0 277.324 1.825 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[N@@H+](C)CC1(C)C ZINC001303990411 956147784 /nfs/dbraw/zinc/14/77/84/956147784.db2.gz XUIYXLFGYJPLNO-CYBMUJFWSA-N 1 0 291.351 1.973 20 5 CDBDRO CC(=O)c1cc(N2C[C@@H](C)[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001337724947 956225468 /nfs/dbraw/zinc/22/54/68/956225468.db2.gz MXTLHKLRJHVJFL-AOOOYVTPSA-N 1 0 277.324 1.984 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@H]2[C@H]2CCCO2)n1 ZINC001308163073 956483942 /nfs/dbraw/zinc/48/39/42/956483942.db2.gz YQGZXCUTLVQQOL-QWHCGFSZSA-N 1 0 294.355 1.825 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC001332402572 957549289 /nfs/dbraw/zinc/54/92/89/957549289.db2.gz WOCYKRRZYDUUIY-SECBINFHSA-N 1 0 280.328 1.213 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C)[C@@H](C)C2)c1C ZINC001333998141 958752976 /nfs/dbraw/zinc/75/29/76/958752976.db2.gz BSKZPUTVRJHHKM-NSHDSACASA-N 1 0 291.351 1.988 20 5 CDBDRO C[C@]1(CO)CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001319965602 958819331 /nfs/dbraw/zinc/81/93/31/958819331.db2.gz SPUXTCLIXAPVHM-GJZGRUSLSA-N 1 0 294.351 1.723 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001322423944 960217419 /nfs/dbraw/zinc/21/74/19/960217419.db2.gz IAFOBIWMRKLWEP-LBPRGKRZSA-N 1 0 278.356 1.862 20 5 CDBDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001336514363 960377185 /nfs/dbraw/zinc/37/71/85/960377185.db2.gz VAAZOSATZTXVTL-MNOVXSKESA-N 1 0 279.344 1.857 20 5 CDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001336542613 960389311 /nfs/dbraw/zinc/38/93/11/960389311.db2.gz IODIDOKADGPWAN-GZMMTYOYSA-N 1 0 277.328 1.467 20 5 CDBDRO C[N@H+](CCNc1cc(N)c([N+](=O)[O-])cn1)C1CC1 ZINC001337745338 961398644 /nfs/dbraw/zinc/39/86/44/961398644.db2.gz BTGYMPPHVKVIOX-UHFFFAOYSA-N 1 0 251.290 1.078 20 5 CDBDRO C[C@H]1CCN(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001338492343 961836706 /nfs/dbraw/zinc/83/67/06/961836706.db2.gz SSVMXFMNRFJLJW-SWLSCSKDSA-N 1 0 293.367 1.560 20 5 CDBDRO CC(C)(C[NH3+])CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001339974124 962661791 /nfs/dbraw/zinc/66/17/91/962661791.db2.gz PQZINSNOZPASNH-UHFFFAOYSA-N 1 0 279.340 1.629 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001342518448 963757888 /nfs/dbraw/zinc/75/78/88/963757888.db2.gz MVLATJHTKAPNMH-CABZTGNLSA-N 1 0 265.313 1.770 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001344790369 964428715 /nfs/dbraw/zinc/42/87/15/964428715.db2.gz VUCJTAHAOUEQBJ-DXLKZPDWSA-N 1 0 275.308 1.522 20 5 CDBDRO O=C(NC[C@H]1CCCCC[NH2+]1)c1ccc([N+](=O)[O-])s1 ZINC001345534727 964733921 /nfs/dbraw/zinc/73/39/21/964733921.db2.gz AZQGPRYLOFYVIS-SECBINFHSA-N 1 0 283.353 1.918 20 5 CDBDRO Cc1nc(N[C@@H]2CCCC[C@H]2[NH+](C)C)ncc1[N+](=O)[O-] ZINC001347827010 965714464 /nfs/dbraw/zinc/71/44/64/965714464.db2.gz OJJGHAIJQVKFHR-GHMZBOCLSA-N 1 0 279.344 1.978 20 5 CDBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC001349910793 966523527 /nfs/dbraw/zinc/52/35/27/966523527.db2.gz DHUHCRHGLKHOFJ-NSHDSACASA-N 1 0 296.371 1.784 20 5 CDBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC001349910791 966524066 /nfs/dbraw/zinc/52/40/66/966524066.db2.gz DHUHCRHGLKHOFJ-LLVKDONJSA-N 1 0 296.371 1.784 20 5 CDBDRO CSC[C@@H](O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001356533643 969420732 /nfs/dbraw/zinc/42/07/32/969420732.db2.gz SBGQTRCZLCXQMX-JTQLQIEISA-N 1 0 256.327 1.408 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@@](C)(C[NH3+])C2)n1 ZINC001158674661 1163383060 /nfs/dbraw/zinc/38/30/60/1163383060.db2.gz ADMUOGASSXSJSM-LBPRGKRZSA-N 1 0 299.762 1.912 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001575955028 1171304017 /nfs/dbraw/zinc/30/40/17/1171304017.db2.gz CYRKWOJJWQRHEH-SNVBAGLBSA-N 1 0 293.323 1.411 20 5 CDBDRO C[NH+](C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000589101754 342496932 /nfs/dbraw/zinc/49/69/32/342496932.db2.gz JRIJMMMCEDYCCQ-JTQLQIEISA-N 1 0 290.323 1.477 20 5 CDBDRO CC(=O)c1cc(N2CCN(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000300545531 342555208 /nfs/dbraw/zinc/55/52/08/342555208.db2.gz KOUFQPQXUJUVOW-SNVBAGLBSA-N 1 0 277.324 1.938 20 5 CDBDRO Cc1c(CN2CCC([NH2+]CCO)CC2)cccc1[N+](=O)[O-] ZINC000601328050 342554290 /nfs/dbraw/zinc/55/42/90/342554290.db2.gz FJKYVJJIGJQYIG-UHFFFAOYSA-N 1 0 293.367 1.450 20 5 CDBDRO COc1ccc(CN[C@]23CCC[C@@H]2C[NH2+]C3)cc1[N+](=O)[O-] ZINC000601328771 342554395 /nfs/dbraw/zinc/55/43/95/342554395.db2.gz YQDXHPCHVYEJRN-DOMZBBRYSA-N 1 0 291.351 1.835 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000322823950 342567781 /nfs/dbraw/zinc/56/77/81/342567781.db2.gz DFCDCJKLFDAETG-HAQNSBGRSA-N 1 0 277.324 1.903 20 5 CDBDRO C[NH+]1CCC(NC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000124691514 187148834 /nfs/dbraw/zinc/14/88/34/187148834.db2.gz IRVQVTBYIGJSAQ-UHFFFAOYSA-N 1 0 279.300 1.206 20 5 CDBDRO Cc1sc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000289991430 197554147 /nfs/dbraw/zinc/55/41/47/197554147.db2.gz YKANZKMHPKKCSN-ZJUUUORDSA-N 1 0 295.364 1.646 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2ncn(CC3CC[NH2+]CC3)n2)cc1 ZINC000122452934 342064691 /nfs/dbraw/zinc/06/46/91/342064691.db2.gz BENAMBSTCMNONP-UHFFFAOYSA-N 1 0 287.323 1.853 20 5 CDBDRO Cc1c(CNC(=O)[C@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000616491235 342111148 /nfs/dbraw/zinc/11/11/48/342111148.db2.gz UOSUZPZADAKOOJ-JTQLQIEISA-N 1 0 265.313 1.470 20 5 CDBDRO [NH3+][C@H]1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000591423658 342630978 /nfs/dbraw/zinc/63/09/78/342630978.db2.gz XKXVQPKQKZQLJB-VIFPVBQESA-N 1 0 262.313 1.490 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCCC[NH2+]2)c(F)c1 ZINC000591426976 342631043 /nfs/dbraw/zinc/63/10/43/342631043.db2.gz ZLUCTIJCYWGXDI-QMMMGPOBSA-N 1 0 254.265 1.683 20 5 CDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[NH3+] ZINC000591361340 342628393 /nfs/dbraw/zinc/62/83/93/342628393.db2.gz VUIZLPCZHPISHA-NSHDSACASA-N 1 0 294.355 1.862 20 5 CDBDRO O=[N+]([O-])c1cccc(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000591448451 342632829 /nfs/dbraw/zinc/63/28/29/342632829.db2.gz IBPKKXYRURQJQJ-GXTWGEPZSA-N 1 0 261.325 1.779 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC3(CC[NH2+]C3)CC2)n1 ZINC000591440621 342632183 /nfs/dbraw/zinc/63/21/83/342632183.db2.gz DINYECYXSSFHPY-UHFFFAOYSA-N 1 0 276.340 1.878 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C)([NH3+])CC1 ZINC000592331607 342685519 /nfs/dbraw/zinc/68/55/19/342685519.db2.gz XYSMFUGVPHXSIP-UHFFFAOYSA-N 1 0 277.324 1.857 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(OC[C@H]2CC[NH2+]C2)c1 ZINC000592158477 342670531 /nfs/dbraw/zinc/67/05/31/342670531.db2.gz DREAUENKHQFEQW-VIFPVBQESA-N 1 0 280.280 1.370 20 5 CDBDRO O=c1c(Cl)cc([N+](=O)[O-])cn1C[C@@H]1CC[NH2+]C1 ZINC000592160971 342670876 /nfs/dbraw/zinc/67/08/76/342670876.db2.gz NVEDLUBNMWSNEW-SSDOTTSWSA-N 1 0 257.677 1.019 20 5 CDBDRO COC(=O)c1ccc(OC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000592162590 342670978 /nfs/dbraw/zinc/67/09/78/342670978.db2.gz ACJHZTVAPNTFQG-VIFPVBQESA-N 1 0 280.280 1.370 20 5 CDBDRO CC1([NH3+])CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000592484967 342695711 /nfs/dbraw/zinc/69/57/11/342695711.db2.gz LCTGYLVRLRKMPT-UHFFFAOYSA-N 1 0 279.340 1.787 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC(C)([NH3+])CC1 ZINC000592485215 342695902 /nfs/dbraw/zinc/69/59/02/342695902.db2.gz RPLZFGAEWDFBIN-UHFFFAOYSA-N 1 0 279.340 1.917 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000592489213 342696058 /nfs/dbraw/zinc/69/60/58/342696058.db2.gz KCLZYKHMCSDOBF-DXLKZPDWSA-N 1 0 275.308 1.522 20 5 CDBDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000593067624 342762123 /nfs/dbraw/zinc/76/21/23/342762123.db2.gz XMPOZXDARGPNHX-CHWSQXEVSA-N 1 0 266.297 1.176 20 5 CDBDRO COC[C@H](CC(C)(C)C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000593605477 342818202 /nfs/dbraw/zinc/81/82/02/342818202.db2.gz GYVPNBOZJJESTQ-NSHDSACASA-N 1 0 284.360 1.832 20 5 CDBDRO CN(CC[NH+]1CCCCC1)c1ncccc1[N+](=O)[O-] ZINC000593516531 342805705 /nfs/dbraw/zinc/80/57/05/342805705.db2.gz OXVMWGCXHSEJMI-UHFFFAOYSA-N 1 0 264.329 1.912 20 5 CDBDRO C[C@H](O)CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000594065726 342870308 /nfs/dbraw/zinc/87/03/08/342870308.db2.gz UBMUIEMHGCKOSJ-VIFPVBQESA-N 1 0 290.323 1.816 20 5 CDBDRO CO[C@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000600759148 342247965 /nfs/dbraw/zinc/24/79/65/342247965.db2.gz FIULACQVNBUOPJ-JKOKRWQUSA-N 1 0 296.323 1.102 20 5 CDBDRO COCCCNc1ccc(-c2ccc([N+](=O)[O-])nc2)cn1 ZINC000600788983 342249352 /nfs/dbraw/zinc/24/93/52/342249352.db2.gz OLOXUHJBXVLGPJ-UHFFFAOYSA-N 1 0 288.307 1.922 20 5 CDBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])c[nH]1 ZINC000594417096 342902911 /nfs/dbraw/zinc/90/29/11/342902911.db2.gz ABXQNWLKJHISCP-YPMHNXCESA-N 1 0 292.339 1.670 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000594425102 342904331 /nfs/dbraw/zinc/90/43/31/342904331.db2.gz JWKVYPMATIAXLV-JSGCOSHPSA-N 1 0 275.308 1.923 20 5 CDBDRO Cn1nnc2c1CC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C2 ZINC000594517110 342917098 /nfs/dbraw/zinc/91/70/98/342917098.db2.gz VHDNUXIMSHHSTN-VIFPVBQESA-N 1 0 293.352 1.432 20 5 CDBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000274134161 539101475 /nfs/dbraw/zinc/10/14/75/539101475.db2.gz YQYLWWGVONOOCA-BXKDBHETSA-N 1 0 293.323 1.208 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)nc1 ZINC000594600458 342929912 /nfs/dbraw/zinc/92/99/12/342929912.db2.gz LIWFZFLZYRDBSJ-RYUDHWBXSA-N 1 0 277.328 1.814 20 5 CDBDRO Cc1c(C[NH2+]CC2(O)CCC2)cccc1[N+](=O)[O-] ZINC000127471182 342275875 /nfs/dbraw/zinc/27/58/75/342275875.db2.gz FFKXOTMHYGJMFS-UHFFFAOYSA-N 1 0 250.298 1.908 20 5 CDBDRO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001578809875 1172017851 /nfs/dbraw/zinc/01/78/51/1172017851.db2.gz QOQPPTANQSCLAO-LLVKDONJSA-N 1 0 295.295 1.122 20 5 CDBDRO COC[C@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595038117 342998015 /nfs/dbraw/zinc/99/80/15/342998015.db2.gz HDWHOUVRLQEBKO-MWLCHTKSSA-N 1 0 284.312 1.261 20 5 CDBDRO COC[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595038116 342998029 /nfs/dbraw/zinc/99/80/29/342998029.db2.gz HDWHOUVRLQEBKO-GXSJLCMTSA-N 1 0 284.312 1.261 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+]C1(CO)CCOCC1 ZINC000595309409 343032126 /nfs/dbraw/zinc/03/21/26/343032126.db2.gz SFAMGKKJZMPYBX-UHFFFAOYSA-N 1 0 284.287 1.365 20 5 CDBDRO Cc1noc(C[N@H+]2CC[C@@H](c3nccn3C)C2)c1[N+](=O)[O-] ZINC000595394647 343047077 /nfs/dbraw/zinc/04/70/77/343047077.db2.gz YHWRMKQZKDMXIU-SNVBAGLBSA-N 1 0 291.311 1.614 20 5 CDBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595524775 343088915 /nfs/dbraw/zinc/08/89/15/343088915.db2.gz MPZRDIBATVBOBN-VHSXEESVSA-N 1 0 269.301 1.484 20 5 CDBDRO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@]1(C)CO ZINC000595872686 343177146 /nfs/dbraw/zinc/17/71/46/343177146.db2.gz KQNSBQWBRWSKDG-IUODEOHRSA-N 1 0 294.351 1.924 20 5 CDBDRO Cc1cc(N2CCC[C@@H]([NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000080600673 342357352 /nfs/dbraw/zinc/35/73/52/342357352.db2.gz DIIZIABMKLEGOO-LLVKDONJSA-N 1 0 264.329 1.829 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000595984644 343211392 /nfs/dbraw/zinc/21/13/92/343211392.db2.gz XOQRNTYRGONUNO-QMMMGPOBSA-N 1 0 283.353 1.654 20 5 CDBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CC1(C)C ZINC000595912461 343190418 /nfs/dbraw/zinc/19/04/18/343190418.db2.gz MSCOHICTBXLVTD-PWSUYJOCSA-N 1 0 282.344 1.130 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000595919741 343191696 /nfs/dbraw/zinc/19/16/96/343191696.db2.gz NLQKMZCEZATCPW-NEPJUHHUSA-N 1 0 293.323 1.347 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596103927 343228191 /nfs/dbraw/zinc/22/81/91/343228191.db2.gz HVEYXOBRSCRHNH-SNVBAGLBSA-N 1 0 294.355 1.836 20 5 CDBDRO CN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H]1CCC[N@H+](C)C1 ZINC000596142612 343242011 /nfs/dbraw/zinc/24/20/11/343242011.db2.gz UEVLNKYZAMKDMJ-NSHDSACASA-N 1 0 292.339 1.224 20 5 CDBDRO Cc1nc(NCC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596430150 343319228 /nfs/dbraw/zinc/31/92/28/343319228.db2.gz JQZAHEGRCHCYKT-VIFPVBQESA-N 1 0 252.318 1.472 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](CO)C(C)(C)C ZINC000090564436 342396562 /nfs/dbraw/zinc/39/65/62/342396562.db2.gz AYFBJPVCFHMFJG-LBPRGKRZSA-N 1 0 297.355 1.095 20 5 CDBDRO NC(=O)C[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000588977539 342446314 /nfs/dbraw/zinc/44/63/14/342446314.db2.gz PZFXHVQVBUPHHW-SECBINFHSA-N 1 0 281.287 1.431 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000209358517 342438598 /nfs/dbraw/zinc/43/85/98/342438598.db2.gz CHPDNUMHQCNEAQ-PWSUYJOCSA-N 1 0 261.281 1.029 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000619579007 349809974 /nfs/dbraw/zinc/80/99/74/349809974.db2.gz YONFMWHVWXUSJH-SNVBAGLBSA-N 1 0 280.328 1.479 20 5 CDBDRO C[C@H](CCNC(=O)CCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000597992968 343683109 /nfs/dbraw/zinc/68/31/09/343683109.db2.gz QHMMOTGLQGFRDJ-GFCCVEGCSA-N 1 0 293.367 1.984 20 5 CDBDRO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000178771635 529839128 /nfs/dbraw/zinc/83/91/28/529839128.db2.gz QJZXWRNADQOXGQ-NSHDSACASA-N 1 0 293.323 1.502 20 5 CDBDRO C[N@H+](CCC(F)(F)F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304265304 529874183 /nfs/dbraw/zinc/87/41/83/529874183.db2.gz AOKFAPQZDUVWET-SECBINFHSA-N 1 0 296.249 1.036 20 5 CDBDRO C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598644835 343854960 /nfs/dbraw/zinc/85/49/60/343854960.db2.gz AQMURWWMHJIWRR-CHWSQXEVSA-N 1 0 294.351 1.924 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCN1CC[C@H](O)C1 ZINC000599018156 343945096 /nfs/dbraw/zinc/94/50/96/343945096.db2.gz FPWICDJQEHTGLD-KQIUPUNMSA-N 1 0 291.351 1.264 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915458 343919512 /nfs/dbraw/zinc/91/95/12/343919512.db2.gz MEEMROGOQQSGQB-VIFPVBQESA-N 1 0 296.302 1.855 20 5 CDBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H](C)[NH2+]1 ZINC000598914371 343919567 /nfs/dbraw/zinc/91/95/67/343919567.db2.gz BPAIMYUQGHFYQM-DTORHVGOSA-N 1 0 296.302 1.948 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000601973101 344300979 /nfs/dbraw/zinc/30/09/79/344300979.db2.gz KVGAPNRTNLAXFB-BETUJISGSA-N 1 0 292.335 1.942 20 5 CDBDRO COc1cc(C(=O)N2C[C@@H]([NH3+])C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000602596645 344502610 /nfs/dbraw/zinc/50/26/10/344502610.db2.gz QRZIIJYTNMHDTO-KCJUWKMLSA-N 1 0 293.323 1.474 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000602531680 344456121 /nfs/dbraw/zinc/45/61/21/344456121.db2.gz WOSQBRKOKLUKLR-CQSZACIVSA-N 1 0 291.351 1.973 20 5 CDBDRO CO[C@H](C[NH2+]CCc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000602557008 344467019 /nfs/dbraw/zinc/46/70/19/344467019.db2.gz IPUPOBIURXVXNC-DZGCQCFKSA-N 1 0 294.351 1.778 20 5 CDBDRO CCN(CC[NH3+])C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000602536031 344471055 /nfs/dbraw/zinc/47/10/55/344471055.db2.gz WAWLCPUWQFFXAF-UHFFFAOYSA-N 1 0 265.313 1.253 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000602535800 344471123 /nfs/dbraw/zinc/47/11/23/344471123.db2.gz SPDVGGVDJKYPNH-UHFFFAOYSA-N 1 0 265.313 1.632 20 5 CDBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000602766296 344572874 /nfs/dbraw/zinc/57/28/74/344572874.db2.gz OGUNJQDNJCYSIZ-LBPRGKRZSA-N 1 0 282.344 1.601 20 5 CDBDRO CN(CC[NH+](C)C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602658163 344519635 /nfs/dbraw/zinc/51/96/35/344519635.db2.gz CGGSCXUQOZBGNB-UHFFFAOYSA-N 1 0 278.312 1.729 20 5 CDBDRO C[C@H](O)C1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602716847 344556234 /nfs/dbraw/zinc/55/62/34/344556234.db2.gz FVPQVWQAWDHJAZ-JTQLQIEISA-N 1 0 250.298 1.640 20 5 CDBDRO CO[C@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602804107 344592619 /nfs/dbraw/zinc/59/26/19/344592619.db2.gz IGMVGDZILATFSN-LBPRGKRZSA-N 1 0 282.344 1.601 20 5 CDBDRO CC[N@H+](C)C[C@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602778435 344593555 /nfs/dbraw/zinc/59/35/55/344593555.db2.gz LPBWQMUPQLGEJD-CYBMUJFWSA-N 1 0 295.387 1.373 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CC1(C)COC1 ZINC000602917054 344649439 /nfs/dbraw/zinc/64/94/39/344649439.db2.gz QPRNUEJCSBBACN-UHFFFAOYSA-N 1 0 268.317 1.068 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000602836014 344619065 /nfs/dbraw/zinc/61/90/65/344619065.db2.gz DAPYGNFAPXHYLY-NEPJUHHUSA-N 1 0 294.355 1.457 20 5 CDBDRO CO[C@@]1(C)C[C@@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])C1(C)C ZINC000602838282 344620360 /nfs/dbraw/zinc/62/03/60/344620360.db2.gz BAJZDCBGJHYEHP-RISCZKNCSA-N 1 0 296.371 1.893 20 5 CDBDRO CCOC[C@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602840637 344621742 /nfs/dbraw/zinc/62/17/42/344621742.db2.gz OIEQGUQYQCMXJZ-CYBMUJFWSA-N 1 0 296.371 1.991 20 5 CDBDRO C[NH+](C)CCc1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000603197982 344731559 /nfs/dbraw/zinc/73/15/59/344731559.db2.gz FFPOHCQGJUXZFQ-UHFFFAOYSA-N 1 0 293.302 1.478 20 5 CDBDRO CSc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)o1 ZINC000603428428 344802499 /nfs/dbraw/zinc/80/24/99/344802499.db2.gz SEJPRKXZJMLFIB-UHFFFAOYSA-N 1 0 282.325 1.896 20 5 CDBDRO CC[NH+]1CCN([C@@H](C)CNc2cccnc2[N+](=O)[O-])CC1 ZINC000603856171 344840833 /nfs/dbraw/zinc/84/08/33/344840833.db2.gz WKKFYFWGIVANDE-LBPRGKRZSA-N 1 0 293.371 1.428 20 5 CDBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000604533792 344898388 /nfs/dbraw/zinc/89/83/88/344898388.db2.gz VHIUPKQDEAOQNF-UHFFFAOYSA-N 1 0 280.328 1.101 20 5 CDBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000292863339 362514777 /nfs/dbraw/zinc/51/47/77/362514777.db2.gz AMCLOALMSDNRNA-NSHDSACASA-N 1 0 298.339 1.685 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000293158441 362533944 /nfs/dbraw/zinc/53/39/44/362533944.db2.gz OOFHBFWOQPOWQH-GFCCVEGCSA-N 1 0 250.298 1.942 20 5 CDBDRO CC1=CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273262095 192091746 /nfs/dbraw/zinc/09/17/46/192091746.db2.gz ZJQVCFXLLVBDTG-CYBMUJFWSA-N 1 0 292.335 1.987 20 5 CDBDRO CN(CCCC[NH+](C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000610111773 346193527 /nfs/dbraw/zinc/19/35/27/346193527.db2.gz CWCCJISZRWEYFT-UHFFFAOYSA-N 1 0 293.367 1.938 20 5 CDBDRO C[C@@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000539529371 282460875 /nfs/dbraw/zinc/46/08/75/282460875.db2.gz OXPNSVPEMOHYAX-ZRQQLDRUSA-N 1 0 298.364 1.631 20 5 CDBDRO O=[N+]([O-])c1cccc(N2CC[NH+]([C@@H]3CCCOC3)CC2)c1 ZINC000610569992 346315221 /nfs/dbraw/zinc/31/52/21/346315221.db2.gz LUNVAJJHSKIBBV-OAHLLOKOSA-N 1 0 291.351 1.896 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@]1(O)CC[N@H+](C)C1 ZINC000545161481 362694032 /nfs/dbraw/zinc/69/40/32/362694032.db2.gz XABBMTXZOSCVER-SWLSCSKDSA-N 1 0 293.367 1.620 20 5 CDBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000611084788 346604175 /nfs/dbraw/zinc/60/41/75/346604175.db2.gz TWRSWZYAHOPCCS-JTQLQIEISA-N 1 0 264.329 1.829 20 5 CDBDRO Cc1cnc(N2CC[C@@H](OCC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000611132727 346617119 /nfs/dbraw/zinc/61/71/19/346617119.db2.gz CZSVIKHDWOTNOZ-GFCCVEGCSA-N 1 0 294.355 1.455 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000128427937 187370411 /nfs/dbraw/zinc/37/04/11/187370411.db2.gz PIGDXTLZTTXFGA-GHMZBOCLSA-N 1 0 293.323 1.360 20 5 CDBDRO Cc1nc(N2CC[N@@H+](C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000611299031 346740711 /nfs/dbraw/zinc/74/07/11/346740711.db2.gz JDXUSGOKBSAWOM-GHMZBOCLSA-N 1 0 264.329 1.827 20 5 CDBDRO CNC(=O)c1ccc(NCC[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000112090949 365872392 /nfs/dbraw/zinc/87/23/92/365872392.db2.gz WEPJRKXDJULQSE-UHFFFAOYSA-N 1 0 294.355 1.707 20 5 CDBDRO O=C(CC[N@H+]1CC[C@@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128516780 187375430 /nfs/dbraw/zinc/37/54/30/187375430.db2.gz MJQGRDHOXUCJSB-SNVBAGLBSA-N 1 0 297.286 1.129 20 5 CDBDRO Cc1cc(C(=O)N(C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000122216081 347616265 /nfs/dbraw/zinc/61/62/65/347616265.db2.gz RQPWESBXJISVAO-UHFFFAOYSA-N 1 0 251.286 1.324 20 5 CDBDRO CC[C@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000270822781 190828597 /nfs/dbraw/zinc/82/85/97/190828597.db2.gz BLBVUJNPLWMOHR-AAEUAGOBSA-N 1 0 280.324 1.806 20 5 CDBDRO C[C@H]([NH2+]CC(C)(C)O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293677485 362917948 /nfs/dbraw/zinc/91/79/48/362917948.db2.gz KCPTUQBRURIWIS-QMMMGPOBSA-N 1 0 253.302 1.599 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000089091475 179699255 /nfs/dbraw/zinc/69/92/55/179699255.db2.gz MXPHRZFCOCPTKC-NEPJUHHUSA-N 1 0 277.324 1.760 20 5 CDBDRO C[NH+](C)C1(CNc2ncccc2[N+](=O)[O-])CCOCC1 ZINC000072947393 349141984 /nfs/dbraw/zinc/14/19/84/349141984.db2.gz UTOWKXJPOHGCIR-UHFFFAOYSA-N 1 0 280.328 1.513 20 5 CDBDRO CC(C)(C[NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000122969015 349309968 /nfs/dbraw/zinc/30/99/68/349309968.db2.gz RQYVHTTYMUMKSN-UHFFFAOYSA-N 1 0 251.286 1.196 20 5 CDBDRO C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C ZINC000090550551 180003020 /nfs/dbraw/zinc/00/30/20/180003020.db2.gz QZJWYOVAPZAXET-VXGBXAGGSA-N 1 0 279.340 1.877 20 5 CDBDRO CCc1nn(C)c(NC[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000091562299 180192873 /nfs/dbraw/zinc/19/28/73/180192873.db2.gz UIGPKEPIELIIGF-SECBINFHSA-N 1 0 267.333 1.254 20 5 CDBDRO COc1cccc(C(=O)N[C@](C)(C[NH3+])C2CC2)c1[N+](=O)[O-] ZINC000515636273 362954235 /nfs/dbraw/zinc/95/42/35/362954235.db2.gz NIVVAFREMROJOQ-CQSZACIVSA-N 1 0 293.323 1.461 20 5 CDBDRO CN1CC[NH+](CCCCNc2ncccc2[N+](=O)[O-])CC1 ZINC000075669940 350488971 /nfs/dbraw/zinc/48/89/71/350488971.db2.gz FTIGHCKTHGHZBR-UHFFFAOYSA-N 1 0 293.371 1.429 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000295156919 199376889 /nfs/dbraw/zinc/37/68/89/199376889.db2.gz DGGAECBXDKREPM-JTQLQIEISA-N 1 0 280.328 1.250 20 5 CDBDRO Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000109848547 186276651 /nfs/dbraw/zinc/27/66/51/186276651.db2.gz FWFCCPCOWZWERO-NSHDSACASA-N 1 0 277.324 1.585 20 5 CDBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000110646019 186308370 /nfs/dbraw/zinc/30/83/70/186308370.db2.gz CRTLQQLCPBSOAB-SECBINFHSA-N 1 0 295.314 1.933 20 5 CDBDRO CC[C@](C)(O)C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000111384607 186410987 /nfs/dbraw/zinc/41/09/87/186410987.db2.gz FAXMULHZZPZALA-ZDUSSCGKSA-N 1 0 284.312 1.560 20 5 CDBDRO Cc1nc(NC[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000124097177 187122058 /nfs/dbraw/zinc/12/20/58/187122058.db2.gz RWDKXNBXCSSTPF-SNVBAGLBSA-N 1 0 250.302 1.710 20 5 CDBDRO C[C@@H](CCCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000292087205 198158384 /nfs/dbraw/zinc/15/83/84/198158384.db2.gz MUVPZDZSJNGKTD-VIFPVBQESA-N 1 0 283.303 1.981 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000137110666 187893613 /nfs/dbraw/zinc/89/36/13/187893613.db2.gz AVBGZKWUGPYCCW-JTQLQIEISA-N 1 0 251.286 1.370 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCN(CCCO)C2)c1 ZINC000295172066 199385852 /nfs/dbraw/zinc/38/58/52/199385852.db2.gz UKGQFIRLZTZUJD-AWEZNQCLSA-N 1 0 293.367 1.531 20 5 CDBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1CCC[N@H+](C)C1 ZINC000157350167 188311763 /nfs/dbraw/zinc/31/17/63/188311763.db2.gz WZTVUKGKBMRXDO-JTQLQIEISA-N 1 0 292.339 1.343 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]([NH3+])C(C)C ZINC000037029623 363314589 /nfs/dbraw/zinc/31/45/89/363314589.db2.gz HXNMOWTWYJLIRG-NSHDSACASA-N 1 0 251.286 1.825 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH3+])[C@H]1C ZINC000457360208 366153410 /nfs/dbraw/zinc/15/34/10/366153410.db2.gz TXNWDXRTFHAVHD-BXKDBHETSA-N 1 0 278.312 1.250 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC[NH2+]CC1 ZINC000037116498 363388954 /nfs/dbraw/zinc/38/89/54/363388954.db2.gz AZAQRPXIGKAZAS-UHFFFAOYSA-N 1 0 263.297 1.006 20 5 CDBDRO CC(C)(CC(N)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000227060297 356092786 /nfs/dbraw/zinc/09/27/86/356092786.db2.gz HRYKADKHLJBRCW-UHFFFAOYSA-N 1 0 296.283 1.247 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CC[NH2+]C1 ZINC000273020248 192022483 /nfs/dbraw/zinc/02/24/83/192022483.db2.gz KTWYPGDQUQMTOF-LBPRGKRZSA-N 1 0 277.324 1.253 20 5 CDBDRO C[C@@H]1C[C@@H]1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000578194467 356263643 /nfs/dbraw/zinc/26/36/43/356263643.db2.gz LZIUSGLBZDPDPD-VXGBXAGGSA-N 1 0 276.340 1.768 20 5 CDBDRO COc1ccc(C[N@H+](C)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000134843357 356421044 /nfs/dbraw/zinc/42/10/44/356421044.db2.gz KFBMFVPXWKASDG-UHFFFAOYSA-N 1 0 268.313 1.806 20 5 CDBDRO CC[N@H+](CCO)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000048346907 357179378 /nfs/dbraw/zinc/17/93/78/357179378.db2.gz VBBRHKCOXPUXPS-UHFFFAOYSA-N 1 0 254.286 1.418 20 5 CDBDRO COc1cccc(N2C[C@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000135056830 357309910 /nfs/dbraw/zinc/30/99/10/357309910.db2.gz HEBWROLLZHXIRD-AOOOYVTPSA-N 1 0 263.297 1.259 20 5 CDBDRO Cn1c(-c2nc(C3([NH3+])CCC3)no2)ccc1[N+](=O)[O-] ZINC000261934643 357343332 /nfs/dbraw/zinc/34/33/32/357343332.db2.gz LYGGYONXWVIZQF-UHFFFAOYSA-N 1 0 263.257 1.321 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC(C)(C)CCC[NH3+] ZINC000389036122 357496314 /nfs/dbraw/zinc/49/63/14/357496314.db2.gz FECHPMHWFVULGL-UHFFFAOYSA-N 1 0 268.317 1.181 20 5 CDBDRO O=C(N[C@H]1C[C@@H]1C1CC[NH2+]CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000361077845 357793343 /nfs/dbraw/zinc/79/33/43/357793343.db2.gz DBJWAWRYRHKRDP-MNOVXSKESA-N 1 0 278.312 1.041 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC(C)(C)[NH3+] ZINC000084167276 357862297 /nfs/dbraw/zinc/86/22/97/357862297.db2.gz SWHNUWBNQBMFLT-UHFFFAOYSA-N 1 0 251.286 1.969 20 5 CDBDRO CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294418609 199032607 /nfs/dbraw/zinc/03/26/07/199032607.db2.gz UFBXUAQSMDPGKN-QWRKXWFKSA-N 1 0 281.312 1.241 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CCCCC1 ZINC000127314870 358105061 /nfs/dbraw/zinc/10/50/61/358105061.db2.gz WNXDIEWQANPMGU-GFCCVEGCSA-N 1 0 280.328 1.560 20 5 CDBDRO CC1(C)CC(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC(C)(C)[NH2+]1 ZINC000287153295 358111170 /nfs/dbraw/zinc/11/11/70/358111170.db2.gz PXMSWRJJKQCSQF-UHFFFAOYSA-N 1 0 295.343 1.357 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1OC[C@H](O)C[N@@H+](C)C1CC1 ZINC000290767431 358139640 /nfs/dbraw/zinc/13/96/40/358139640.db2.gz KXRMWEYLTSBFFP-CYBMUJFWSA-N 1 0 280.324 1.737 20 5 CDBDRO CCOc1cccc(N2CCO[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000165863410 358181973 /nfs/dbraw/zinc/18/19/73/358181973.db2.gz MCJAAWPDTHBPLY-SNVBAGLBSA-N 1 0 281.312 1.157 20 5 CDBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC1CCC1 ZINC000361481564 358231070 /nfs/dbraw/zinc/23/10/70/358231070.db2.gz OJZJGZRKJQZMBF-UHFFFAOYSA-N 1 0 252.318 1.913 20 5 CDBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])[nH]1 ZINC000294873969 199225234 /nfs/dbraw/zinc/22/52/34/199225234.db2.gz PKEAJSOHOAOSHA-SECBINFHSA-N 1 0 266.301 1.185 20 5 CDBDRO C[NH2+]CC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000132684067 358574706 /nfs/dbraw/zinc/57/47/06/358574706.db2.gz APXBNEWCGLHDJK-UHFFFAOYSA-N 1 0 295.314 1.806 20 5 CDBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000290875365 358708514 /nfs/dbraw/zinc/70/85/14/358708514.db2.gz RWEYULSHUUJTGU-SECBINFHSA-N 1 0 282.348 1.499 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176188965 358731707 /nfs/dbraw/zinc/73/17/07/358731707.db2.gz FJTXZLYUFXBAOW-UHFFFAOYSA-N 1 0 260.297 1.923 20 5 CDBDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000341702439 358791925 /nfs/dbraw/zinc/79/19/25/358791925.db2.gz XDLXDPKQLCCHSH-WCQYABFASA-N 1 0 291.351 1.751 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000186871943 358834191 /nfs/dbraw/zinc/83/41/91/358834191.db2.gz VBWIPBJXCCVXTQ-RNCFNFMXSA-N 1 0 277.324 1.631 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H](O)C1CC1 ZINC000341173096 366518727 /nfs/dbraw/zinc/51/87/27/366518727.db2.gz ZOQDGRWYCDOWGY-PKXJPQMGSA-N 1 0 262.309 1.969 20 5 CDBDRO Cc1c(CN2CCC[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000051562684 358899347 /nfs/dbraw/zinc/89/93/47/358899347.db2.gz ROOZELYYMKTICR-LBPRGKRZSA-N 1 0 263.297 1.353 20 5 CDBDRO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000351756688 358960740 /nfs/dbraw/zinc/96/07/40/358960740.db2.gz LLQLJMKJVBVCJF-GWCFXTLKSA-N 1 0 250.298 1.450 20 5 CDBDRO C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CCC[N@@H+]1C ZINC000342361263 359018158 /nfs/dbraw/zinc/01/81/58/359018158.db2.gz SKTCJSSCKDBDIF-WCBMZHEXSA-N 1 0 266.301 1.135 20 5 CDBDRO Nc1ccc(NCC[N@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000287617664 359090739 /nfs/dbraw/zinc/09/07/39/359090739.db2.gz GLLSSWSXESVCEG-UHFFFAOYSA-N 1 0 262.313 1.851 20 5 CDBDRO C[N@H+](CC[C@@H]1CCCO1)CCn1cc([N+](=O)[O-])cn1 ZINC000342590412 359126015 /nfs/dbraw/zinc/12/60/15/359126015.db2.gz CNDVWNSWOFXTOK-LBPRGKRZSA-N 1 0 268.317 1.292 20 5 CDBDRO CCC(CC)(C[NH3+])NC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000569342207 359226068 /nfs/dbraw/zinc/22/60/68/359226068.db2.gz ZFGMWZFUAOIHRE-UHFFFAOYSA-N 1 0 294.355 1.884 20 5 CDBDRO COc1ccc(CN2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261787272 359398418 /nfs/dbraw/zinc/39/84/18/359398418.db2.gz QCSVCNSEIZSKNW-AWEZNQCLSA-N 1 0 279.340 1.774 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000050394674 359439804 /nfs/dbraw/zinc/43/98/04/359439804.db2.gz XALOKMJUUDCNCG-JOYOIKCWSA-N 1 0 263.297 1.524 20 5 CDBDRO CC(C)[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000339825281 359463183 /nfs/dbraw/zinc/46/31/83/359463183.db2.gz ZNVBWSFLAROPHB-CYBMUJFWSA-N 1 0 282.344 1.538 20 5 CDBDRO COC[C@]1(C)CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296837954 200011426 /nfs/dbraw/zinc/01/14/26/200011426.db2.gz SOECYUQTLYMMEH-HUUCEWRRSA-N 1 0 294.351 1.987 20 5 CDBDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000449452681 359576522 /nfs/dbraw/zinc/57/65/22/359576522.db2.gz GOESELMNBHZCOV-GHMZBOCLSA-N 1 0 286.353 1.797 20 5 CDBDRO Nc1cc(N)[nH+]c(SCc2cccc([N+](=O)[O-])c2)n1 ZINC000029427078 359603986 /nfs/dbraw/zinc/60/39/86/359603986.db2.gz FNNHXEDAOJJUHG-UHFFFAOYSA-N 1 0 277.309 1.842 20 5 CDBDRO Cc1cc(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)ccc1[N+](=O)[O-] ZINC000296870862 200021427 /nfs/dbraw/zinc/02/14/27/200021427.db2.gz AEOMFTHKOPWVAK-ZYHUDNBSSA-N 1 0 277.324 1.855 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132577730 283457703 /nfs/dbraw/zinc/45/77/03/283457703.db2.gz CACCOKJAWRWGEU-NSHDSACASA-N 1 0 281.287 1.687 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@](C)(C[NH3+])C(C)C)c1 ZINC000571873559 359642658 /nfs/dbraw/zinc/64/26/58/359642658.db2.gz QLJDPZMTZKLTMP-CQSZACIVSA-N 1 0 295.339 1.707 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000331017760 359754735 /nfs/dbraw/zinc/75/47/35/359754735.db2.gz MMUYLKVKYJDUCV-JTQLQIEISA-N 1 0 280.328 1.479 20 5 CDBDRO Cc1cccc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC000235395712 360082331 /nfs/dbraw/zinc/08/23/31/360082331.db2.gz CQKLJCCZUNEESM-MNOVXSKESA-N 1 0 277.324 1.774 20 5 CDBDRO Cc1c(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cccc1[N+](=O)[O-] ZINC000235447131 360122390 /nfs/dbraw/zinc/12/23/90/360122390.db2.gz MXDVIGUWZDWGIZ-MWLCHTKSSA-N 1 0 277.324 1.774 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000063020252 360132180 /nfs/dbraw/zinc/13/21/80/360132180.db2.gz OATNCAUIYLRYJG-UHFFFAOYSA-N 1 0 271.704 1.715 20 5 CDBDRO CC(C)[N@H+](CCO)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000177972153 189082463 /nfs/dbraw/zinc/08/24/63/189082463.db2.gz WILCBDVRRAOITL-UHFFFAOYSA-N 1 0 296.323 1.664 20 5 CDBDRO C[C@@H](NC(=O)[C@@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000054340234 360573860 /nfs/dbraw/zinc/57/38/60/360573860.db2.gz REMQPYZGIAGWAH-DTWKUNHWSA-N 1 0 251.286 1.367 20 5 CDBDRO C[C@H]1C[C@@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000235690196 360588924 /nfs/dbraw/zinc/58/89/24/360588924.db2.gz YXEQKFHJKIAGFW-AAEUAGOBSA-N 1 0 291.351 1.642 20 5 CDBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000179208828 189177447 /nfs/dbraw/zinc/17/74/47/189177447.db2.gz IDYZBDFPDXKYAX-UHFFFAOYSA-N 1 0 265.313 1.631 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000053202621 361203616 /nfs/dbraw/zinc/20/36/16/361203616.db2.gz ZEHVGMNLLIIZTR-LLVKDONJSA-N 1 0 263.297 1.419 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000381752288 361274367 /nfs/dbraw/zinc/27/43/67/361274367.db2.gz NQILJZYNTZDGFN-YUMQZZPRSA-N 1 0 287.341 1.146 20 5 CDBDRO [NH3+][C@@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000137420140 361363314 /nfs/dbraw/zinc/36/33/14/361363314.db2.gz YGOAXVPQLYRZPZ-NSHDSACASA-N 1 0 293.323 1.217 20 5 CDBDRO C[NH2+]CCCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000036280271 361418852 /nfs/dbraw/zinc/41/88/52/361418852.db2.gz YGCKLLBKEVFKHE-UHFFFAOYSA-N 1 0 251.286 1.243 20 5 CDBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])s2)CC[N@@H+](C2CC2)C1 ZINC000294891601 361609256 /nfs/dbraw/zinc/60/92/56/361609256.db2.gz HCGTXIZASVIYFW-VIFPVBQESA-N 1 0 282.369 1.972 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000580422061 363906665 /nfs/dbraw/zinc/90/66/65/363906665.db2.gz ZEJUDJKENBNWCY-CQSZACIVSA-N 1 0 293.323 1.461 20 5 CDBDRO C[C@H]1C[C@@H](O)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000340914508 363946545 /nfs/dbraw/zinc/94/65/45/363946545.db2.gz RWSAKWUNSXXSCG-WCQYABFASA-N 1 0 280.324 1.819 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000148791769 364322768 /nfs/dbraw/zinc/32/27/68/364322768.db2.gz GAEDKKONNISCPU-MRVPVSSYSA-N 1 0 285.731 1.834 20 5 CDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000268152339 364369845 /nfs/dbraw/zinc/36/98/45/364369845.db2.gz MYDWIOGWVOJPOV-WPRPVWTQSA-N 1 0 265.317 1.223 20 5 CDBDRO C[C@@H]1CSCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174870917 364586265 /nfs/dbraw/zinc/58/62/65/364586265.db2.gz LZSXVRPIFKFMQH-SECBINFHSA-N 1 0 256.331 1.229 20 5 CDBDRO Cc1nc(N2CC[C@@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000268490379 364788966 /nfs/dbraw/zinc/78/89/66/364788966.db2.gz NMYKVHKFRJBBOG-NSHDSACASA-N 1 0 264.329 1.686 20 5 CDBDRO Cc1c(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cnn1C ZINC000093650240 364886209 /nfs/dbraw/zinc/88/62/09/364886209.db2.gz XPZFZJZCWFJGCT-UHFFFAOYSA-N 1 0 260.297 1.927 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000414657025 241305422 /nfs/dbraw/zinc/30/54/22/241305422.db2.gz JFRIWONKWKLFCQ-NSHDSACASA-N 1 0 294.311 1.095 20 5 CDBDRO Cc1ccc(NC(=O)NC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414669278 241311859 /nfs/dbraw/zinc/31/18/59/241311859.db2.gz ZOHFZTYJOPDLJU-NSHDSACASA-N 1 0 278.312 1.762 20 5 CDBDRO Cc1cc(NC(=O)N(C)C2C[NH2+]C2)ccc1[N+](=O)[O-] ZINC000415417531 241675660 /nfs/dbraw/zinc/67/56/60/241675660.db2.gz MWSHABOQOURDJV-UHFFFAOYSA-N 1 0 264.285 1.339 20 5 CDBDRO C[C@H](NC(=O)N1CC[NH2+][C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000417128050 242329731 /nfs/dbraw/zinc/32/97/31/242329731.db2.gz HOTCHTGUSLDEGM-QWRGUYRKSA-N 1 0 292.339 1.659 20 5 CDBDRO Cc1n[nH]c(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000272587415 367779670 /nfs/dbraw/zinc/77/96/70/367779670.db2.gz RLSSCDJPKLWYTE-SECBINFHSA-N 1 0 275.312 1.915 20 5 CDBDRO Cn1c(C(=O)NCC2([NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC000330500778 202895249 /nfs/dbraw/zinc/89/52/49/202895249.db2.gz QZMVKEHDGFOYGP-UHFFFAOYSA-N 1 0 294.355 1.538 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000418711262 243365008 /nfs/dbraw/zinc/36/50/08/243365008.db2.gz WHBHRQSHNUIDLA-LLVKDONJSA-N 1 0 294.355 1.866 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000089091130 368857750 /nfs/dbraw/zinc/85/77/50/368857750.db2.gz NIFNDNPRPMJBNQ-RYUDHWBXSA-N 1 0 277.324 1.381 20 5 CDBDRO CCOC(=O)c1ccnc(N[C@H](C)CCC[NH3+])c1[N+](=O)[O-] ZINC000420273471 244009636 /nfs/dbraw/zinc/00/96/36/244009636.db2.gz XMXVPKUHTPVRRK-SECBINFHSA-N 1 0 296.327 1.706 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000330906796 203377286 /nfs/dbraw/zinc/37/72/86/203377286.db2.gz NOGQNNIYBHVNRB-JQWIXIFHSA-N 1 0 277.324 1.807 20 5 CDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC(C)(CO)CO ZINC000276279574 193268994 /nfs/dbraw/zinc/26/89/94/193268994.db2.gz FMOWRTUPENZNDH-UHFFFAOYSA-N 1 0 286.303 1.157 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000295329799 369960444 /nfs/dbraw/zinc/96/04/44/369960444.db2.gz XMKWDQYWDXNQQT-SNVBAGLBSA-N 1 0 280.328 1.250 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000422782117 245248998 /nfs/dbraw/zinc/24/89/98/245248998.db2.gz JJHNZJNELORXSO-LLVKDONJSA-N 1 0 277.324 1.693 20 5 CDBDRO CCn1cc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000296012733 371203506 /nfs/dbraw/zinc/20/35/06/371203506.db2.gz LHVRHLODLOUJRF-JTQLQIEISA-N 1 0 278.316 1.359 20 5 CDBDRO COCC[NH+]1CCC(Nc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000266237422 371585953 /nfs/dbraw/zinc/58/59/53/371585953.db2.gz WFRNGMJDCFCPMG-UHFFFAOYSA-N 1 0 294.355 1.821 20 5 CDBDRO C[NH2+]CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000151244184 372144922 /nfs/dbraw/zinc/14/49/22/372144922.db2.gz GZFIEPKXKMMETC-UHFFFAOYSA-N 1 0 278.312 1.118 20 5 CDBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269624425 373200429 /nfs/dbraw/zinc/20/04/29/373200429.db2.gz CGRJCBOOAKEBSG-MFKMUULPSA-N 1 0 250.298 1.970 20 5 CDBDRO COc1cc(CN(C)C[C@@H](C)O)c([N+](=O)[O-])cc1OC ZINC000130727505 373504531 /nfs/dbraw/zinc/50/45/31/373504531.db2.gz ATOTTYRYACLYIQ-SECBINFHSA-N 1 0 284.312 1.425 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)C[NH+](C)C ZINC000168998003 373851734 /nfs/dbraw/zinc/85/17/34/373851734.db2.gz PRDCIYXLBAHGOX-QMMMGPOBSA-N 1 0 255.322 1.482 20 5 CDBDRO COc1ccc(NC(=O)[C@]23C[C@H]2CC[NH2+]3)cc1[N+](=O)[O-] ZINC000423730956 246008232 /nfs/dbraw/zinc/00/82/32/246008232.db2.gz XGFHOVPFGAAOMA-OQPBUACISA-N 1 0 277.280 1.294 20 5 CDBDRO C[NH2+]CCN(C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420342521 374294348 /nfs/dbraw/zinc/29/43/48/374294348.db2.gz XGJUZKPWWWRGEY-JTQLQIEISA-N 1 0 280.328 1.073 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC3(CCC3)CC2)c1 ZINC000368600281 374320608 /nfs/dbraw/zinc/32/06/08/374320608.db2.gz BLXNKVSZOOHOOD-CYBMUJFWSA-N 1 0 294.355 1.418 20 5 CDBDRO [NH3+]CC1(CC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000422972139 374366703 /nfs/dbraw/zinc/36/67/03/374366703.db2.gz ZPMWVJRYDVFIIX-UHFFFAOYSA-N 1 0 263.297 1.340 20 5 CDBDRO NCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423180160 374370143 /nfs/dbraw/zinc/37/01/43/374370143.db2.gz IHDPAWAZJXVGPO-WCQYABFASA-N 1 0 263.341 1.854 20 5 CDBDRO CC[N@H+](CCO)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000079197872 374392516 /nfs/dbraw/zinc/39/25/16/374392516.db2.gz VJBFZFBUTSTNDA-UHFFFAOYSA-N 1 0 268.313 1.678 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)C[NH3+] ZINC000423456028 374382970 /nfs/dbraw/zinc/38/29/70/374382970.db2.gz NJHKIKIVHKQHKP-QMMMGPOBSA-N 1 0 279.340 1.845 20 5 CDBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000115442502 374406704 /nfs/dbraw/zinc/40/67/04/374406704.db2.gz VKHCVAFODVTERN-JTQLQIEISA-N 1 0 281.312 1.602 20 5 CDBDRO C[C@@H]1CC(=O)NCCN1Cc1ccccc1[N+](=O)[O-] ZINC000375840713 374517386 /nfs/dbraw/zinc/51/73/86/374517386.db2.gz MEYMWJVSAOQDCE-SNVBAGLBSA-N 1 0 263.297 1.305 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000226454684 374500207 /nfs/dbraw/zinc/50/02/07/374500207.db2.gz XTLYNXVRJCDERC-LLVKDONJSA-N 1 0 277.324 1.775 20 5 CDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000423964300 246256392 /nfs/dbraw/zinc/25/63/92/246256392.db2.gz WSFLCDICTYNPBM-GFCCVEGCSA-N 1 0 294.355 1.496 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000424043695 246304651 /nfs/dbraw/zinc/30/46/51/246304651.db2.gz BZXZXFXNFUDUHK-UHFFFAOYSA-N 1 0 266.301 1.034 20 5 CDBDRO COCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000299249293 374601540 /nfs/dbraw/zinc/60/15/40/374601540.db2.gz QQNZOGLKPJGRFN-UHFFFAOYSA-N 1 0 280.328 1.513 20 5 CDBDRO Cc1nn(C[C@H](O)C[N@@H+](C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000388842986 374695482 /nfs/dbraw/zinc/69/54/82/374695482.db2.gz YFVMOFZYZWXEIZ-LLVKDONJSA-N 1 0 270.333 1.109 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H]1C[NH3+] ZINC000070176551 374655165 /nfs/dbraw/zinc/65/51/65/374655165.db2.gz YFKXXPTZYQIEIJ-JOYOIKCWSA-N 1 0 280.328 1.133 20 5 CDBDRO C[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000070176613 374655278 /nfs/dbraw/zinc/65/52/78/374655278.db2.gz SBMVKYQWVKCVIN-FZMZJTMJSA-N 1 0 291.351 1.723 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000274554290 374676546 /nfs/dbraw/zinc/67/65/46/374676546.db2.gz IOOHBFMNUJGXOF-UHFFFAOYSA-N 1 0 295.314 1.900 20 5 CDBDRO Cc1ccc(C(=O)NCCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000299512835 374680368 /nfs/dbraw/zinc/68/03/68/374680368.db2.gz UIFSFMJOBUBQPA-UHFFFAOYSA-N 1 0 279.340 1.975 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(N)c2F)C1 ZINC000274698368 374680583 /nfs/dbraw/zinc/68/05/83/374680583.db2.gz SYXKQKJFMMQSPO-VIFPVBQESA-N 1 0 282.319 1.847 20 5 CDBDRO COc1ccc(CNC(=O)[C@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000277080005 374769751 /nfs/dbraw/zinc/76/97/51/374769751.db2.gz PZEFXTCSAKFBRM-BDAKNGLRSA-N 1 0 281.312 1.203 20 5 CDBDRO C[N@H+](CCCCO)CCc1cccc([N+](=O)[O-])c1 ZINC000282392549 375083208 /nfs/dbraw/zinc/08/32/08/375083208.db2.gz HAMPNBIKONQKNI-UHFFFAOYSA-N 1 0 252.314 1.842 20 5 CDBDRO COCCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332697371 375044076 /nfs/dbraw/zinc/04/40/76/375044076.db2.gz TTWSABUUYXYIKX-UHFFFAOYSA-N 1 0 251.286 1.384 20 5 CDBDRO CC[NH+]1CCN(CCNc2sccc2[N+](=O)[O-])CC1 ZINC000302011661 375160537 /nfs/dbraw/zinc/16/05/37/375160537.db2.gz YYBXOECDNHHMNW-UHFFFAOYSA-N 1 0 284.385 1.706 20 5 CDBDRO C[C@H]1CC[C@@H]([N@H+](CCO)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000351633794 375313876 /nfs/dbraw/zinc/31/38/76/375313876.db2.gz MGEOIMVQACVBCS-NWDGAFQWSA-N 1 0 282.344 1.274 20 5 CDBDRO COCC[N@H+](C)CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000162621528 375391462 /nfs/dbraw/zinc/39/14/62/375391462.db2.gz MBOCHNZJBHEMML-UHFFFAOYSA-N 1 0 268.317 1.288 20 5 CDBDRO Cc1ccc(C[NH2+]CCCOCCO)cc1[N+](=O)[O-] ZINC000227333997 375503861 /nfs/dbraw/zinc/50/38/61/375503861.db2.gz GELLVJDHGYSAPM-UHFFFAOYSA-N 1 0 268.313 1.392 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000132562643 375524640 /nfs/dbraw/zinc/52/46/40/375524640.db2.gz DBSPPJYQUBSHDT-VIFPVBQESA-N 1 0 297.742 1.978 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132564802 375527580 /nfs/dbraw/zinc/52/75/80/375527580.db2.gz JZOLDWZVQCEUTB-SECBINFHSA-N 1 0 281.287 1.463 20 5 CDBDRO C[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000305230543 375576269 /nfs/dbraw/zinc/57/62/69/375576269.db2.gz RNCBSGLQYLOCIF-MBNYWOFBSA-N 1 0 296.371 1.520 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](CO)C2CC2)cs1 ZINC000353153416 375581708 /nfs/dbraw/zinc/58/17/08/375581708.db2.gz NLKJTJACFTWXAT-JTQLQIEISA-N 1 0 256.327 1.764 20 5 CDBDRO COC[C@H](CCO)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344884252 375634252 /nfs/dbraw/zinc/63/42/52/375634252.db2.gz YMCZRFQXUWVAKM-UNJUUPHPSA-N 1 0 294.351 1.985 20 5 CDBDRO C[C@H](CNc1c([N+](=O)[O-])ncn1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000227887620 375642524 /nfs/dbraw/zinc/64/25/24/375642524.db2.gz BEGCHLDNZJIGMX-GHMZBOCLSA-N 1 0 281.360 1.861 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000049069998 375876000 /nfs/dbraw/zinc/87/60/00/375876000.db2.gz DQTBAZKSXBFXSK-GFCCVEGCSA-N 1 0 278.312 1.811 20 5 CDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000357075150 375882300 /nfs/dbraw/zinc/88/23/00/375882300.db2.gz VIXIHUIUWQKDOO-STQMWFEESA-N 1 0 293.367 1.998 20 5 CDBDRO C[NH+](C)CCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000357259949 375894676 /nfs/dbraw/zinc/89/46/76/375894676.db2.gz XRQCLUCKVCQZGJ-UHFFFAOYSA-N 1 0 297.330 1.734 20 5 CDBDRO C[N@H+](CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000059490904 375948957 /nfs/dbraw/zinc/94/89/57/375948957.db2.gz GNBLDZHJHOVZKV-UHFFFAOYSA-N 1 0 278.312 1.001 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC([NH2+]CC2CC2)CC1 ZINC000430597984 247662655 /nfs/dbraw/zinc/66/26/55/247662655.db2.gz RRAPKMPKMXCRQD-UHFFFAOYSA-N 1 0 293.371 1.292 20 5 CDBDRO C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000267069854 376744235 /nfs/dbraw/zinc/74/42/35/376744235.db2.gz KPQDLXFTDFZRSG-MNOVXSKESA-N 1 0 252.318 1.912 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000189300787 377226982 /nfs/dbraw/zinc/22/69/82/377226982.db2.gz LRNMVFBQJNNGAR-JQWIXIFHSA-N 1 0 277.324 1.394 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](OCCO)C1 ZINC000172295124 377432148 /nfs/dbraw/zinc/43/21/48/377432148.db2.gz GGYPZFZBLHUCAK-ZDUSSCGKSA-N 1 0 280.324 1.568 20 5 CDBDRO CC1=CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000436267479 249389392 /nfs/dbraw/zinc/38/93/92/249389392.db2.gz CUAKYBLFLRSHBQ-CYBMUJFWSA-N 1 0 292.335 1.987 20 5 CDBDRO CC(C)C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000075624172 377849583 /nfs/dbraw/zinc/84/95/83/377849583.db2.gz PYKCDUAOLOSRLE-ZDUSSCGKSA-N 1 0 282.344 1.273 20 5 CDBDRO C[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000266863368 378074406 /nfs/dbraw/zinc/07/44/06/378074406.db2.gz LSMWYUAZLUDMPW-QWHCGFSZSA-N 1 0 293.367 1.966 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H](C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173306673 378122782 /nfs/dbraw/zinc/12/27/82/378122782.db2.gz GWHUKJYKIJSBCQ-CHWSQXEVSA-N 1 0 293.367 1.966 20 5 CDBDRO C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000173383393 378306531 /nfs/dbraw/zinc/30/65/31/378306531.db2.gz STJIMPVXQHVUOG-STQMWFEESA-N 1 0 293.367 1.966 20 5 CDBDRO CCc1ccc(C(=O)NC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000266950824 378885313 /nfs/dbraw/zinc/88/53/13/378885313.db2.gz SQBFXEKWSVWHEV-SNVBAGLBSA-N 1 0 279.340 1.837 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2CC[NH2+]2)cc1[N+](=O)[O-] ZINC000444214351 250103653 /nfs/dbraw/zinc/10/36/53/250103653.db2.gz PBFSWWZVLDYFRC-GXSJLCMTSA-N 1 0 263.297 1.442 20 5 CDBDRO COc1cccc(C(=O)N[C@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000444269830 250112760 /nfs/dbraw/zinc/11/27/60/250112760.db2.gz OPXNNJHBWQRFMZ-SNVBAGLBSA-N 1 0 295.339 1.673 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000041028380 379244059 /nfs/dbraw/zinc/24/40/59/379244059.db2.gz YDGGTVZWZSRVBV-LLVKDONJSA-N 1 0 263.297 1.087 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000041028398 379251641 /nfs/dbraw/zinc/25/16/41/379251641.db2.gz MFXDACPKZSUQQN-ABZNLYFFSA-N 1 0 275.308 1.558 20 5 CDBDRO O=C(C[C@@H]1CCC[NH2+]1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000042171185 379552565 /nfs/dbraw/zinc/55/25/65/379552565.db2.gz FTRGBDPGONFTLQ-LBPRGKRZSA-N 1 0 277.324 1.396 20 5 CDBDRO CC[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000174857412 379592305 /nfs/dbraw/zinc/59/23/05/379592305.db2.gz HYBQECLHHFBBRX-CMPLNLGQSA-N 1 0 268.317 1.291 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCn1cncn1 ZINC000449097869 250687607 /nfs/dbraw/zinc/68/76/07/250687607.db2.gz GGETWOQYGWGSSB-LLVKDONJSA-N 1 0 275.312 1.407 20 5 CDBDRO CCN(CCC[NH+](C)C)c1c([N+](=O)[O-])c(C)nn1CC ZINC000192884342 284888662 /nfs/dbraw/zinc/88/86/62/284888662.db2.gz ITVGKINHQLTGSZ-UHFFFAOYSA-N 1 0 283.376 1.898 20 5 CDBDRO Nc1nc(NCC23CCC[NH+]2CCC3)ncc1[N+](=O)[O-] ZINC000281036400 195079224 /nfs/dbraw/zinc/07/92/24/195079224.db2.gz UXMKGXHBAGGKNU-UHFFFAOYSA-N 1 0 278.316 1.007 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]([NH+]3CCCC3)C2)nc1 ZINC000302123246 285175921 /nfs/dbraw/zinc/17/59/21/285175921.db2.gz VEYUCLDAFRGLLT-SNVBAGLBSA-N 1 0 263.301 1.059 20 5 CDBDRO Cc1cnc(NCCC[N@@H+](C)CCN(C)C)c([N+](=O)[O-])c1 ZINC000288690311 197146306 /nfs/dbraw/zinc/14/63/06/197146306.db2.gz BFVMHANALYQLQI-UHFFFAOYSA-N 1 0 295.387 1.594 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(O[C@@H]3CCC[NH2+]C3)c2c1 ZINC000081591097 177827150 /nfs/dbraw/zinc/82/71/50/177827150.db2.gz XUXACPYMRUBMFN-SNVBAGLBSA-N 1 0 274.280 1.669 20 5 CDBDRO CO[C@H](C)C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000285879437 390186575 /nfs/dbraw/zinc/18/65/75/390186575.db2.gz YOKWPTXCYLXMPQ-LLVKDONJSA-N 1 0 268.313 1.940 20 5 CDBDRO C[C@@H](CCC1CC1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000398139084 390244503 /nfs/dbraw/zinc/24/45/03/390244503.db2.gz NLUSXPNFOATQOI-GWCFXTLKSA-N 1 0 282.344 1.321 20 5 CDBDRO C[N@@H+]1CC[C@H](Cn2cc([N+](=O)[O-])cc(Cl)c2=O)C1 ZINC000361969237 390523554 /nfs/dbraw/zinc/52/35/54/390523554.db2.gz AHHYJBXGSKCRDY-QMMMGPOBSA-N 1 0 271.704 1.362 20 5 CDBDRO C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@H](C(N)=O)C1 ZINC000187386179 390547753 /nfs/dbraw/zinc/54/77/53/390547753.db2.gz UUKQDYICFNQTDR-GWCFXTLKSA-N 1 0 277.324 1.681 20 5 CDBDRO CC(C)Oc1cc(C(=O)NCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000411162245 390966136 /nfs/dbraw/zinc/96/61/36/390966136.db2.gz LOWPTBBBIHUCHV-UHFFFAOYSA-N 1 0 295.339 1.673 20 5 CDBDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449276879 391055087 /nfs/dbraw/zinc/05/50/87/391055087.db2.gz DDIUQEBWRLBFMK-VXGBXAGGSA-N 1 0 293.367 1.982 20 5 CDBDRO Cc1ccc(C(=O)N[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000346237186 391067602 /nfs/dbraw/zinc/06/76/02/391067602.db2.gz ZDJDDFMVZXDNFX-SNVBAGLBSA-N 1 0 265.313 1.583 20 5 CDBDRO COCCC[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1F ZINC000413176293 391173694 /nfs/dbraw/zinc/17/36/94/391173694.db2.gz RHCFPHXTLUCQBJ-UHFFFAOYSA-N 1 0 286.307 1.509 20 5 CDBDRO O=[N+]([O-])c1cc(CNC[C@@H]2C[NH2+]CCCO2)cs1 ZINC000415040463 391248748 /nfs/dbraw/zinc/24/87/48/391248748.db2.gz OJKPMKNNABGMKB-JTQLQIEISA-N 1 0 271.342 1.124 20 5 CDBDRO C[NH+](C)[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000152149714 391488553 /nfs/dbraw/zinc/48/85/53/391488553.db2.gz UQLVHTNWFDMQLH-LBPRGKRZSA-N 1 0 295.314 1.439 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H]([NH3+])C1 ZINC000415586756 391467865 /nfs/dbraw/zinc/46/78/65/391467865.db2.gz VXJLFZZZQZINDY-JTQLQIEISA-N 1 0 278.312 1.777 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000415508151 391468353 /nfs/dbraw/zinc/46/83/53/391468353.db2.gz UQAUEGSHLZFJBD-QMMMGPOBSA-N 1 0 280.284 1.087 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH2+]C ZINC000415665333 391471849 /nfs/dbraw/zinc/47/18/49/391471849.db2.gz VBYDAHSWLWROOA-UHFFFAOYSA-N 1 0 282.300 1.334 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000190324355 130089337 /nfs/dbraw/zinc/08/93/37/130089337.db2.gz XQOVKQWERRVXNV-QMMMGPOBSA-N 1 0 256.331 1.582 20 5 CDBDRO Cc1c(CN2CC[NH+](C[C@@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000189375066 391759508 /nfs/dbraw/zinc/75/95/08/391759508.db2.gz PYEUHRHSAOVLCI-GFCCVEGCSA-N 1 0 293.367 1.402 20 5 CDBDRO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000190886218 130157425 /nfs/dbraw/zinc/15/74/25/130157425.db2.gz IYBVJMIAXZILTQ-SCDSUCTJSA-N 1 0 280.324 1.188 20 5 CDBDRO C[C@@H](O)C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000190905428 130161245 /nfs/dbraw/zinc/16/12/45/130161245.db2.gz LZVGYMHCGZMLRI-NWDGAFQWSA-N 1 0 298.339 1.037 20 5 CDBDRO Cc1sc(C(=O)N2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000191325306 130221431 /nfs/dbraw/zinc/22/14/31/130221431.db2.gz IOXXWVUBWBTGQZ-MRVPVSSYSA-N 1 0 269.326 1.528 20 5 CDBDRO Cc1sc(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000237473508 131034233 /nfs/dbraw/zinc/03/42/33/131034233.db2.gz CITPOSUKBVYRIR-SFYZADRCSA-N 1 0 283.353 1.787 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000237979230 131069982 /nfs/dbraw/zinc/06/99/82/131069982.db2.gz SKUHYRFVXPMFEK-LLVKDONJSA-N 1 0 292.339 1.347 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261748702 131166447 /nfs/dbraw/zinc/16/64/47/131166447.db2.gz SYFIGMMDCIROFO-QWHCGFSZSA-N 1 0 289.335 1.205 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000261820427 131171600 /nfs/dbraw/zinc/17/16/00/131171600.db2.gz UHIDUMKZIHVHBQ-UWVGGRQHSA-N 1 0 297.380 1.800 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000262279819 131207739 /nfs/dbraw/zinc/20/77/39/131207739.db2.gz WYQRFPOFBCPRSI-TVQRCGJNSA-N 1 0 292.339 1.424 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000262369180 131215316 /nfs/dbraw/zinc/21/53/16/131215316.db2.gz LLUKFUCCGSIZON-SCZZXKLOSA-N 1 0 279.296 1.028 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000262465736 131223288 /nfs/dbraw/zinc/22/32/88/131223288.db2.gz YGFIDTCJKHEEKO-NXEZZACHSA-N 1 0 265.313 1.237 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000262730943 131256185 /nfs/dbraw/zinc/25/61/85/131256185.db2.gz HYFLOWQRQJVJLE-UFBFGSQYSA-N 1 0 281.287 1.462 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000262824973 131265114 /nfs/dbraw/zinc/26/51/14/131265114.db2.gz TVRZWTRFOTXMCS-MNOVXSKESA-N 1 0 277.324 1.346 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000262880721 131270058 /nfs/dbraw/zinc/27/00/58/131270058.db2.gz NJCOQCDMHKPLCH-NXEZZACHSA-N 1 0 292.339 1.356 20 5 CDBDRO C[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000263741877 131320487 /nfs/dbraw/zinc/32/04/87/131320487.db2.gz RNQDKONQEKKCEK-WCQYABFASA-N 1 0 280.324 1.676 20 5 CDBDRO CCOC[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000459696476 392500194 /nfs/dbraw/zinc/50/01/94/392500194.db2.gz BFKFVAZWTCOWPJ-GFCCVEGCSA-N 1 0 282.344 1.682 20 5 CDBDRO CCC[NH2+]CCNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000418083850 392875449 /nfs/dbraw/zinc/87/54/49/392875449.db2.gz TZIBMQZWIOLXCK-UHFFFAOYSA-N 1 0 294.355 1.702 20 5 CDBDRO Cc1nc(NCCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000268431959 132007812 /nfs/dbraw/zinc/00/78/12/132007812.db2.gz BHPUBYMTOYQUTL-UHFFFAOYSA-N 1 0 293.371 1.348 20 5 CDBDRO CC[NH+]1CCN(CCNc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268528068 132021899 /nfs/dbraw/zinc/02/18/99/132021899.db2.gz WLOODXGNPFANAT-UHFFFAOYSA-N 1 0 293.371 1.348 20 5 CDBDRO COC[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268934322 132090629 /nfs/dbraw/zinc/09/06/29/132090629.db2.gz RISNEENERIBABV-WDEREUQCSA-N 1 0 268.313 1.561 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000269270854 132147566 /nfs/dbraw/zinc/14/75/66/132147566.db2.gz MFBSZZJUQNEDGG-NSHDSACASA-N 1 0 285.731 1.961 20 5 CDBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000526121886 392946384 /nfs/dbraw/zinc/94/63/84/392946384.db2.gz IBXWLHLTFPMFMA-UHFFFAOYSA-N 1 0 294.355 1.490 20 5 CDBDRO COc1cc(C(=O)NC2CC[NH2+]CC2)cc([N+](=O)[O-])c1C ZINC000422696178 392956796 /nfs/dbraw/zinc/95/67/96/392956796.db2.gz QXUHVPBKBMFAEE-UHFFFAOYSA-N 1 0 293.323 1.394 20 5 CDBDRO CC(C)c1ccc(C(=O)NCC[NH3+])cc1[N+](=O)[O-] ZINC000422693224 392957400 /nfs/dbraw/zinc/95/74/00/392957400.db2.gz LJZCBDRDLQBQSK-UHFFFAOYSA-N 1 0 251.286 1.407 20 5 CDBDRO COc1cccc(C(=O)NCC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000423581173 392964239 /nfs/dbraw/zinc/96/42/39/392964239.db2.gz BIHFMNDUTYPFIG-SNVBAGLBSA-N 1 0 293.323 1.475 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C[C@@H](C)O)[C@H](C)CO ZINC000430198145 393090722 /nfs/dbraw/zinc/09/07/22/393090722.db2.gz YBSMTTRBDJPWLV-GHMZBOCLSA-N 1 0 298.339 1.167 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000430206820 393092955 /nfs/dbraw/zinc/09/29/55/393092955.db2.gz PNYUQRSIYJSNSP-CABZTGNLSA-N 1 0 266.297 1.416 20 5 CDBDRO C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000430969165 393107199 /nfs/dbraw/zinc/10/71/99/393107199.db2.gz CCTUFABGCGVHPI-BXKDBHETSA-N 1 0 267.304 1.903 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCSC1 ZINC000449181049 393131744 /nfs/dbraw/zinc/13/17/44/393131744.db2.gz DQTGCKCDINWYEX-FZMZJTMJSA-N 1 0 296.392 1.983 20 5 CDBDRO [NH3+][C@@H](CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000493752788 393219976 /nfs/dbraw/zinc/21/99/76/393219976.db2.gz KBFBSCSSNDRBBU-RNZFLTOJSA-N 1 0 293.298 1.601 20 5 CDBDRO Cc1cccc(N2CC[N@H+](CCO)C(C)(C)C2)c1[N+](=O)[O-] ZINC000302522709 393199851 /nfs/dbraw/zinc/19/98/51/393199851.db2.gz YLOBQWBVSQGHKR-UHFFFAOYSA-N 1 0 293.367 1.796 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000136480242 139894069 /nfs/dbraw/zinc/89/40/69/139894069.db2.gz CBVQVHICTZLAGL-QMMMGPOBSA-N 1 0 267.285 1.397 20 5 CDBDRO CO[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000226412019 140180184 /nfs/dbraw/zinc/18/01/84/140180184.db2.gz TWQNXOYZCPTXAF-OLZOCXBDSA-N 1 0 279.340 1.533 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000232232728 140220440 /nfs/dbraw/zinc/22/04/40/140220440.db2.gz QPHXWGOZMDSBBA-LLVKDONJSA-N 1 0 277.324 1.775 20 5 CDBDRO NC(=O)c1ccc(N[C@@H](C[NH3+])C2CCCC2)c([N+](=O)[O-])c1 ZINC000236215375 140238671 /nfs/dbraw/zinc/23/86/71/140238671.db2.gz UOLLXWKJZCKOHG-LBPRGKRZSA-N 1 0 292.339 1.623 20 5 CDBDRO CCCC[C@H]([NH3+])C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000236797379 140245681 /nfs/dbraw/zinc/24/56/81/140245681.db2.gz JEWADMZXGOPIHR-NSHDSACASA-N 1 0 294.355 1.640 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000237632128 140256632 /nfs/dbraw/zinc/25/66/32/140256632.db2.gz GQOFEUNURLHXFP-SSDOTTSWSA-N 1 0 271.704 1.667 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1 ZINC000252858003 140327436 /nfs/dbraw/zinc/32/74/36/140327436.db2.gz IOVDLJGESYNUFQ-AEGPPILISA-N 1 0 276.336 1.840 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000261582424 140355931 /nfs/dbraw/zinc/35/59/31/140355931.db2.gz RERPWXNBYQIREN-QMMMGPOBSA-N 1 0 252.274 1.324 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000261710452 140379483 /nfs/dbraw/zinc/37/94/83/140379483.db2.gz JKCUPTNJXWUPEY-ZDUSSCGKSA-N 1 0 281.287 1.545 20 5 CDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261761870 140385176 /nfs/dbraw/zinc/38/51/76/140385176.db2.gz UYQWRKXPZRUKJK-RNCFNFMXSA-N 1 0 293.298 1.558 20 5 CDBDRO COc1cc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000261800490 140390750 /nfs/dbraw/zinc/39/07/50/140390750.db2.gz RHARUHHBPSRILJ-JQWIXIFHSA-N 1 0 277.324 1.792 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000261843232 140398041 /nfs/dbraw/zinc/39/80/41/140398041.db2.gz VYHATJOITMESDJ-PWSUYJOCSA-N 1 0 279.315 1.775 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000262434914 140427721 /nfs/dbraw/zinc/42/77/21/140427721.db2.gz FZEKVUDIFQAXRK-SSDOTTSWSA-N 1 0 284.291 1.044 20 5 CDBDRO Cc1cc(C(=O)NCC[N@@H+](C)C(C)C)cc([N+](=O)[O-])c1 ZINC000101952225 147141717 /nfs/dbraw/zinc/14/17/17/147141717.db2.gz GZZZYHWVYXXEQQ-UHFFFAOYSA-N 1 0 279.340 1.973 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+](CCCCO)C2CC2)n1 ZINC000176246905 148032770 /nfs/dbraw/zinc/03/27/70/148032770.db2.gz DUPIIYWBNXTGEK-UHFFFAOYSA-N 1 0 268.317 1.028 20 5 CDBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C[NH2+]1 ZINC000261607288 148979559 /nfs/dbraw/zinc/97/95/59/148979559.db2.gz RQNLGAXOQAEHIR-ZJUUUORDSA-N 1 0 267.304 1.916 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000310976115 149205925 /nfs/dbraw/zinc/20/59/25/149205925.db2.gz JACNBCNZOHCWNN-MRVPVSSYSA-N 1 0 252.274 1.454 20 5 CDBDRO Cc1c(C[N@H+](C)CCOCCO)cccc1[N+](=O)[O-] ZINC000311513228 149215922 /nfs/dbraw/zinc/21/59/22/149215922.db2.gz CDFHUPDHKXKUFG-UHFFFAOYSA-N 1 0 268.313 1.344 20 5 CDBDRO Cc1ccc(NC(=O)[C@H]([NH3+])CC(F)F)cc1[N+](=O)[O-] ZINC000336814011 151720648 /nfs/dbraw/zinc/72/06/48/151720648.db2.gz WDWCFCKAHJNZRS-MRVPVSSYSA-N 1 0 273.239 1.824 20 5 CDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H]1O ZINC000352658897 155328095 /nfs/dbraw/zinc/32/80/95/155328095.db2.gz KWGFSHSNTMVXFP-KBPBESRZSA-N 1 0 280.324 1.819 20 5 CDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@@H+]1CCCC[C@@H]1C ZINC000349873011 154250840 /nfs/dbraw/zinc/25/08/40/154250840.db2.gz JJMVFXDBFGZNAS-VHSXEESVSA-N 1 0 295.343 1.311 20 5 CDBDRO C[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000355737824 157210681 /nfs/dbraw/zinc/21/06/81/157210681.db2.gz INCYMZCIVLWFIT-GFCCVEGCSA-N 1 0 293.367 1.841 20 5 CDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000373428757 160200206 /nfs/dbraw/zinc/20/02/06/160200206.db2.gz ZMENROANZZHDRQ-DZGCQCFKSA-N 1 0 289.335 1.253 20 5 CDBDRO CSC[C@@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285190283 196217150 /nfs/dbraw/zinc/21/71/50/196217150.db2.gz CIJYRJDZDFWXGO-LBPRGKRZSA-N 1 0 284.381 1.793 20 5 CDBDRO CO[C@@H](C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285353689 196258810 /nfs/dbraw/zinc/25/88/10/196258810.db2.gz VJHNXPJLGYLTJM-DTWKUNHWSA-N 1 0 253.302 1.863 20 5 CDBDRO CCC[C@@]1([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CCOC1 ZINC000285491531 196302754 /nfs/dbraw/zinc/30/27/54/196302754.db2.gz IQPWSMBNUPIDGJ-CQSZACIVSA-N 1 0 295.339 1.305 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2CCOCC2)cc1 ZINC000038079474 174089144 /nfs/dbraw/zinc/08/91/44/174089144.db2.gz ZKEWHNZBXJEHKB-UHFFFAOYSA-N 1 0 266.297 1.742 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[NH2+]1 ZINC000044492193 175181112 /nfs/dbraw/zinc/18/11/12/175181112.db2.gz VAMPGMVTDKBZIS-GFCCVEGCSA-N 1 0 277.324 1.396 20 5 CDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1csc([N+](=O)[O-])c1 ZINC000044491661 175181121 /nfs/dbraw/zinc/18/11/21/175181121.db2.gz VSAXBFSWLLSERQ-VIFPVBQESA-N 1 0 269.326 1.528 20 5 CDBDRO Cc1nn(C)c(NC[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000044563296 175206322 /nfs/dbraw/zinc/20/63/22/175206322.db2.gz GQEBTXJULRHKIT-SNVBAGLBSA-N 1 0 267.333 1.533 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000071143314 176040756 /nfs/dbraw/zinc/04/07/56/176040756.db2.gz IXBMEZDRBLLPIJ-NSHDSACASA-N 1 0 277.324 1.585 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000071143862 176041091 /nfs/dbraw/zinc/04/10/91/176041091.db2.gz WHIXRVWWDITGFC-SYTKJHMZSA-N 1 0 289.335 1.676 20 5 CDBDRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000078640032 177364034 /nfs/dbraw/zinc/36/40/34/177364034.db2.gz FFSKGHPXSORJHA-SECBINFHSA-N 1 0 272.326 1.118 20 5 CDBDRO CCn1cncc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000418068002 228000372 /nfs/dbraw/zinc/00/03/72/228000372.db2.gz NKDIHAIRRNCTTF-UHFFFAOYSA-N 1 0 289.339 1.777 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163643680 287573621 /nfs/dbraw/zinc/57/36/21/287573621.db2.gz WAUSDHLNUTVOTG-MNOVXSKESA-N 1 0 277.324 1.652 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000214007041 260223278 /nfs/dbraw/zinc/22/32/78/260223278.db2.gz JBIVXQFICLWQHT-JMEBYUIHSA-N 1 0 275.308 1.428 20 5 CDBDRO CC1(NC(=O)CNc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000193372299 267301355 /nfs/dbraw/zinc/30/13/55/267301355.db2.gz DSYRNUHUXOFNHA-UHFFFAOYSA-N 1 0 292.339 1.265 20 5 CDBDRO C[NH2+]CCN(C)c1c(Br)cncc1[N+](=O)[O-] ZINC000234371159 277023849 /nfs/dbraw/zinc/02/38/49/277023849.db2.gz GHRWDVUGCXLOQD-UHFFFAOYSA-N 1 0 289.133 1.408 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cc(O)cc(F)c2)c1 ZINC000185583842 270257743 /nfs/dbraw/zinc/25/77/43/270257743.db2.gz SBHMEDXFVKMRAY-UHFFFAOYSA-N 1 0 280.259 1.426 20 5 CDBDRO C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000515401160 270438726 /nfs/dbraw/zinc/43/87/26/270438726.db2.gz MTTUSKHDRHQTPB-SMDDNHRTSA-N 1 0 291.351 1.909 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000302004383 273816440 /nfs/dbraw/zinc/81/64/40/273816440.db2.gz RZJISQZCAKTWOM-JTQLQIEISA-N 1 0 290.327 1.168 20 5 CDBDRO COc1cc(N2CC[C@@H]([NH3+])[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000227860754 274096718 /nfs/dbraw/zinc/09/67/18/274096718.db2.gz ATNXFGGYISPWNQ-WCBMZHEXSA-N 1 0 283.303 1.916 20 5 CDBDRO O=[N+]([O-])c1c(N2CC[C@H]3[NH2+]CC[C@H]3C2)nc2sccn21 ZINC000261876289 275032697 /nfs/dbraw/zinc/03/26/97/275032697.db2.gz ZRQPLKVNHQEXSN-DTWKUNHWSA-N 1 0 293.352 1.492 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000424058919 275859277 /nfs/dbraw/zinc/85/92/77/275859277.db2.gz OJONVLRXMPENCA-UHFFFAOYSA-N 1 0 281.312 1.217 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000360990406 276073559 /nfs/dbraw/zinc/07/35/59/276073559.db2.gz LFBKUOPAGLXWLA-LBPRGKRZSA-N 1 0 295.387 1.898 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3c(F)cccc3[N+](=O)[O-])C[C@H]2C1 ZINC000287879914 277198820 /nfs/dbraw/zinc/19/88/20/277198820.db2.gz UHZURSHFXACVGN-AOOOYVTPSA-N 1 0 265.288 1.732 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000235364957 288018909 /nfs/dbraw/zinc/01/89/09/288018909.db2.gz KBMKPTBBOXKVQM-GMSGAONNSA-N 1 0 267.260 1.153 20 5 CDBDRO C[C@H](CO)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331012984 278213305 /nfs/dbraw/zinc/21/33/05/278213305.db2.gz NUYTVSIOYCPITI-OUAUKWLOSA-N 1 0 268.317 1.245 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000418475031 278243916 /nfs/dbraw/zinc/24/39/16/278243916.db2.gz QESKACINTNKLCW-NSHDSACASA-N 1 0 294.355 1.374 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417764061 278244159 /nfs/dbraw/zinc/24/41/59/278244159.db2.gz LQZKUOKFBYFTNA-JTQLQIEISA-N 1 0 280.328 1.031 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000038083201 278351781 /nfs/dbraw/zinc/35/17/81/278351781.db2.gz GECCNZUMEILSOM-MNOVXSKESA-N 1 0 298.364 1.680 20 5 CDBDRO C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1[NH3+] ZINC000420272615 278810174 /nfs/dbraw/zinc/81/01/74/278810174.db2.gz IHBPMPMFUAAFMX-LDYMZIIASA-N 1 0 289.295 1.428 20 5 CDBDRO Cc1c(C(=O)NC[C@H](C2CC2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000047920788 279155210 /nfs/dbraw/zinc/15/52/10/279155210.db2.gz RTBXFAFJIUKQRT-CQSZACIVSA-N 1 0 291.351 1.973 20 5 CDBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000079694342 279239345 /nfs/dbraw/zinc/23/93/45/279239345.db2.gz AJHLPHYYOCNJIU-CYBMUJFWSA-N 1 0 277.324 1.665 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000211373616 280085276 /nfs/dbraw/zinc/08/52/76/280085276.db2.gz XQMMDOTVSGEYIA-OYVUYXNMSA-N 1 0 289.335 1.818 20 5 CDBDRO CCC[NH2+]CCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000236811886 280140244 /nfs/dbraw/zinc/14/02/44/280140244.db2.gz JHSLCYUXAIHLLC-GQCTYLIASA-N 1 0 295.314 1.863 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000237712788 280185508 /nfs/dbraw/zinc/18/55/08/280185508.db2.gz DUNXWAHVRFDLDO-ZANVPECISA-N 1 0 292.339 1.498 20 5 CDBDRO Cc1n[nH]c(C(=O)N[C@](C)(C[NH3+])CC(C)C)c1[N+](=O)[O-] ZINC000269308344 280190721 /nfs/dbraw/zinc/19/07/21/280190721.db2.gz ZPEDBBDOGYWWHS-LBPRGKRZSA-N 1 0 283.332 1.120 20 5 CDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[NH2+]1 ZINC000238131360 280199214 /nfs/dbraw/zinc/19/92/14/280199214.db2.gz RLBSBFWRSGRKRM-CYBMUJFWSA-N 1 0 292.339 1.265 20 5 CDBDRO C[C@@H](O)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000248956606 280397724 /nfs/dbraw/zinc/39/77/24/280397724.db2.gz QHFLATCZJHHCQY-VXGBXAGGSA-N 1 0 282.340 1.201 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000127694723 280515547 /nfs/dbraw/zinc/51/55/47/280515547.db2.gz UHUNEACBYFTLJN-VIFPVBQESA-N 1 0 267.260 1.134 20 5 CDBDRO [NH3+]C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000313349728 280624455 /nfs/dbraw/zinc/62/44/55/280624455.db2.gz IVASPURSFPKYOW-GFCCVEGCSA-N 1 0 299.758 1.798 20 5 CDBDRO Cc1cccc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000261610191 281229968 /nfs/dbraw/zinc/22/99/68/281229968.db2.gz SHPWMCOYTSYCTL-RYUDHWBXSA-N 1 0 261.325 1.949 20 5 CDBDRO Cc1cnc(NC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000090691998 281628150 /nfs/dbraw/zinc/62/81/50/281628150.db2.gz SSYBXQKSWFDKDD-UHFFFAOYSA-N 1 0 250.302 1.804 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1C[NH3+] ZINC000070176623 290435190 /nfs/dbraw/zinc/43/51/90/290435190.db2.gz SJQATYIWGHZCRI-DTWKUNHWSA-N 1 0 283.353 1.856 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCO2)c1 ZINC000559239902 290440155 /nfs/dbraw/zinc/44/01/55/290440155.db2.gz TWIAXDLZBDGQPS-OCCSQVGLSA-N 1 0 296.323 1.103 20 5 CDBDRO CCOCC[C@@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000564848445 293431699 /nfs/dbraw/zinc/43/16/99/293431699.db2.gz CWRURPDXVAZGKE-CQSZACIVSA-N 1 0 282.340 1.514 20 5 CDBDRO C[C@H](CCCC[NH3+])NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000567714642 293849429 /nfs/dbraw/zinc/84/94/29/293849429.db2.gz LVVYFIAPBAWBLB-LLVKDONJSA-N 1 0 294.355 1.912 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000571167603 294381473 /nfs/dbraw/zinc/38/14/73/294381473.db2.gz RTMAWORCLAJSKH-NXEZZACHSA-N 1 0 295.339 1.849 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@]1(C)CO ZINC000571210947 294389987 /nfs/dbraw/zinc/38/99/87/294389987.db2.gz RNCPMIZXRCMTMN-AWEZNQCLSA-N 1 0 280.324 1.950 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000571774488 294504106 /nfs/dbraw/zinc/50/41/06/294504106.db2.gz QOSGQNGVIUINME-SNVBAGLBSA-N 1 0 296.327 1.010 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]([NH3+])C1 ZINC000035347137 302042976 /nfs/dbraw/zinc/04/29/76/302042976.db2.gz AUIDNCSMQYISDU-SNVBAGLBSA-N 1 0 299.352 1.015 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CC[NH3+])C(F)F)c1 ZINC000383510389 323669450 /nfs/dbraw/zinc/66/94/50/323669450.db2.gz SGEAVHBVSDHDOV-SECBINFHSA-N 1 0 287.266 1.616 20 5 CDBDRO COc1cccc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000579244604 324140607 /nfs/dbraw/zinc/14/06/07/324140607.db2.gz OMCHUAVLTZBYIV-IUCAKERBSA-N 1 0 281.312 1.459 20 5 CDBDRO C[C@@H](CN(C)C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000583560504 325198724 /nfs/dbraw/zinc/19/87/24/325198724.db2.gz PMINBUQJCFFJMP-NSHDSACASA-N 1 0 294.355 1.463 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227987628 1160360388 /nfs/dbraw/zinc/36/03/88/1160360388.db2.gz JJDVLTDBIVHFPA-NSHDSACASA-N 1 0 251.286 1.851 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2)C1 ZINC001168967632 1161996247 /nfs/dbraw/zinc/99/62/47/1161996247.db2.gz ROOXTDWLXMJOJK-VXGBXAGGSA-N 1 0 250.298 1.927 20 5 CDBDRO O=[N+]([O-])CC[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000791051340 1162186681 /nfs/dbraw/zinc/18/66/81/1162186681.db2.gz BCSTVOQPIAWRMB-CQSZACIVSA-N 1 0 264.325 1.635 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC000157932002 521329625 /nfs/dbraw/zinc/32/96/25/521329625.db2.gz AYJBPAUVCMCPJO-RKDXNWHRSA-N 1 0 295.343 1.128 20 5 CDBDRO C[NH+](C)CCCOC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000792110256 1162260629 /nfs/dbraw/zinc/26/06/29/1162260629.db2.gz ASGJSQLCYKCSOE-UHFFFAOYSA-N 1 0 296.279 1.432 20 5 CDBDRO CO[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000363675379 523972476 /nfs/dbraw/zinc/97/24/76/523972476.db2.gz OESZYUVZYSVEPA-NSHDSACASA-N 1 0 268.317 1.292 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000070172121 524860189 /nfs/dbraw/zinc/86/01/89/524860189.db2.gz LFQVDOJIEWVPAT-JQWIXIFHSA-N 1 0 277.324 1.794 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000063193319 525018190 /nfs/dbraw/zinc/01/81/90/525018190.db2.gz QHRDELCXLZTONR-DGCLKSJQSA-N 1 0 291.351 1.866 20 5 CDBDRO C[C@H](O)C[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000247010913 525770552 /nfs/dbraw/zinc/77/05/52/525770552.db2.gz CEAFPOMDMKRMQQ-STQMWFEESA-N 1 0 293.367 1.482 20 5 CDBDRO O=C(CCC1CC[NH2+]CC1)NCc1ccccc1[N+](=O)[O-] ZINC000050952089 526410645 /nfs/dbraw/zinc/41/06/45/526410645.db2.gz JUNUFUOAAOCBNS-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO Cc1nc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000161541097 526998493 /nfs/dbraw/zinc/99/84/93/526998493.db2.gz BBUIGLAHYCUYCW-VXGBXAGGSA-N 1 0 292.339 1.573 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@](C)(C[NH3+])C1 ZINC000261578673 536143905 /nfs/dbraw/zinc/14/39/05/536143905.db2.gz DHKYNGOYPYWVEQ-GFCCVEGCSA-N 1 0 267.333 1.295 20 5 CDBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000261722478 536346341 /nfs/dbraw/zinc/34/63/41/536346341.db2.gz JQGQAZQBOVWBOM-ZETCQYMHSA-N 1 0 280.259 1.934 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000414660018 536372224 /nfs/dbraw/zinc/37/22/24/536372224.db2.gz NVWDHXIYAKKZIN-SNVBAGLBSA-N 1 0 278.312 1.729 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000415417799 536372916 /nfs/dbraw/zinc/37/29/16/536372916.db2.gz NFNVHSQARRSFSH-LLVKDONJSA-N 1 0 278.312 1.729 20 5 CDBDRO C[NH2+][C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430624148 536417913 /nfs/dbraw/zinc/41/79/13/536417913.db2.gz IHYUVWHETBPLNO-VIFPVBQESA-N 1 0 276.296 1.530 20 5 CDBDRO O=C(C[NH+]1CCCC1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000727057320 574539730 /nfs/dbraw/zinc/53/97/30/574539730.db2.gz RTSYIWZHCUPIEX-UHFFFAOYSA-N 1 0 292.339 1.219 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000742234627 576590195 /nfs/dbraw/zinc/59/01/95/576590195.db2.gz GAYHDNYXGIOBER-FZKGZDJFSA-N 1 0 289.335 1.771 20 5 CDBDRO CC1(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)COC1 ZINC000743836328 576656168 /nfs/dbraw/zinc/65/61/68/576656168.db2.gz UGZPNVMKCNUZRV-UHFFFAOYSA-N 1 0 291.351 1.753 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCCO2)c1 ZINC000749650095 576956687 /nfs/dbraw/zinc/95/66/87/576956687.db2.gz ZKOUMEUCBWLZTE-CHWSQXEVSA-N 1 0 266.297 1.397 20 5 CDBDRO Cc1ccc(N2CC[NH+](CCCCO)CC2)c([N+](=O)[O-])c1 ZINC000750171958 576980470 /nfs/dbraw/zinc/98/04/70/576980470.db2.gz ROXUWHAKIAQVEU-UHFFFAOYSA-N 1 0 293.367 1.798 20 5 CDBDRO Cc1nn(C[NH+]2C[C@H](C)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000751930082 577075562 /nfs/dbraw/zinc/07/55/62/577075562.db2.gz SUCSJMYLRRMWBX-IUCAKERBSA-N 1 0 252.318 1.953 20 5 CDBDRO CC[NH2+]CCNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000891997030 617396754 /nfs/dbraw/zinc/39/67/54/617396754.db2.gz QHVJOVVQCVKUFJ-UHFFFAOYSA-N 1 0 280.328 1.312 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cc(O)cc(Cl)c2)c1 ZINC000893134357 617402624 /nfs/dbraw/zinc/40/26/24/617402624.db2.gz KEAISMMRPWAZES-UHFFFAOYSA-N 1 0 296.714 1.940 20 5 CDBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2c([N+](=O)[O-])cnn2C)C1 ZINC000891571773 617485658 /nfs/dbraw/zinc/48/56/58/617485658.db2.gz DRATZUNQTBMJGR-NSHDSACASA-N 1 0 297.359 1.097 20 5 CDBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000892608967 617532814 /nfs/dbraw/zinc/53/28/14/617532814.db2.gz STAOJQHROOAWAZ-ZYHUDNBSSA-N 1 0 298.364 1.508 20 5 CDBDRO COCCOC[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000892939658 617934228 /nfs/dbraw/zinc/93/42/28/617934228.db2.gz UGAJIXWVKOGMAQ-NSHDSACASA-N 1 0 298.339 1.745 20 5 CDBDRO C[N@@H+]1C[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000893933805 618193504 /nfs/dbraw/zinc/19/35/04/618193504.db2.gz CVAVWKJTXSUAPL-GZMMTYOYSA-N 1 0 282.731 1.784 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@H]2O)cc1Cl ZINC000822504297 618549367 /nfs/dbraw/zinc/54/93/67/618549367.db2.gz RCYCNTNPROHDMP-MWLCHTKSSA-N 1 0 256.689 1.861 20 5 CDBDRO CCc1ccc(-c2nc(CC[NH3+])no2)cc1[N+](=O)[O-] ZINC000843129662 618693780 /nfs/dbraw/zinc/69/37/80/618693780.db2.gz ZBQJDPXJHIEHKR-UHFFFAOYSA-N 1 0 262.269 1.708 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2COCO2)cc1Cl ZINC000894878312 619115142 /nfs/dbraw/zinc/11/51/42/619115142.db2.gz ANPRIESFQQDERK-SECBINFHSA-N 1 0 272.688 1.711 20 5 CDBDRO C[C@H](Nc1ccsc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895246753 619492890 /nfs/dbraw/zinc/49/28/90/619492890.db2.gz DINDMFMKFNOXHR-ONGXEEELSA-N 1 0 284.385 1.703 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000899869858 622496098 /nfs/dbraw/zinc/49/60/98/622496098.db2.gz BOZDABNUHAZEHH-UHFFFAOYSA-N 1 0 299.321 1.796 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000900385118 622964541 /nfs/dbraw/zinc/96/45/41/622964541.db2.gz VTTBPPNMAQVHDN-MNOVXSKESA-N 1 0 264.329 1.719 20 5 CDBDRO [NH3+]C1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000902412754 624737255 /nfs/dbraw/zinc/73/72/55/624737255.db2.gz CXWMYLPBFVBPKR-CYBMUJFWSA-N 1 0 275.352 1.997 20 5 CDBDRO CC[C@@H]([NH2+]CCCON)c1cccc([N+](=O)[O-])c1 ZINC000902418327 624783617 /nfs/dbraw/zinc/78/36/17/624783617.db2.gz DMIXPZHZMNSIFW-GFCCVEGCSA-N 1 0 253.302 1.916 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000903481892 626006473 /nfs/dbraw/zinc/00/64/73/626006473.db2.gz PPLSAOIJCOWDBG-GFCCVEGCSA-N 1 0 276.340 1.754 20 5 CDBDRO COc1ccc(Cl)cc1N1CC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905081577 626600940 /nfs/dbraw/zinc/60/09/40/626600940.db2.gz IHLHKMZPXDVZLY-NSHDSACASA-N 1 0 299.758 1.794 20 5 CDBDRO Cc1cccc(C)c1OC[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905070389 626616348 /nfs/dbraw/zinc/61/63/48/626616348.db2.gz ZJSWOVIMJVICKU-GFCCVEGCSA-N 1 0 252.314 1.937 20 5 CDBDRO C[C@H](O)C[C@@H](C[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000905158886 626641174 /nfs/dbraw/zinc/64/11/74/626641174.db2.gz LIVRKHFHZCACPU-AAEUAGOBSA-N 1 0 252.314 1.407 20 5 CDBDRO COc1ccc(C2=NO[C@H](CNCC[N+](=O)[O-])C2)cc1C ZINC000905255532 626707543 /nfs/dbraw/zinc/70/75/43/626707543.db2.gz UBXUGCBYNHVFFB-LBPRGKRZSA-N 1 0 293.323 1.363 20 5 CDBDRO COc1ccc(C2=NO[C@@H](CNCC[N+](=O)[O-])C2)cc1C ZINC000905255531 626707654 /nfs/dbraw/zinc/70/76/54/626707654.db2.gz UBXUGCBYNHVFFB-GFCCVEGCSA-N 1 0 293.323 1.363 20 5 CDBDRO C[C@@]1(C[NH2+]CC[N+](=O)[O-])OCCc2sccc21 ZINC000905264205 626713238 /nfs/dbraw/zinc/71/32/38/626713238.db2.gz RQIZKKCAEGIKKH-NSHDSACASA-N 1 0 256.327 1.402 20 5 CDBDRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905281325 626735399 /nfs/dbraw/zinc/73/53/99/626735399.db2.gz SOVZGSYZUWVCSK-QWRGUYRKSA-N 1 0 287.360 1.546 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCO[C@@H]2CCOC2)c1 ZINC000905608870 626873194 /nfs/dbraw/zinc/87/31/94/626873194.db2.gz KPLMUNJJEOEEKS-KGLIPLIRSA-N 1 0 296.323 1.023 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C/C=C\Cl)c1 ZINC000905708737 626935163 /nfs/dbraw/zinc/93/51/63/626935163.db2.gz SNTZLRMNGHKYSX-SRMRHOMVSA-N 1 0 286.715 1.677 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H]1Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000905734288 626953313 /nfs/dbraw/zinc/95/33/13/626953313.db2.gz MXYWKXDIWCYXIG-ZJUUUORDSA-N 1 0 288.307 1.160 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000911625808 629371642 /nfs/dbraw/zinc/37/16/42/629371642.db2.gz ZAGFOOLLDVVCLH-LBPRGKRZSA-N 1 0 295.314 1.616 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](O)c2ccco2)cc1 ZINC000914795470 631573559 /nfs/dbraw/zinc/57/35/59/631573559.db2.gz MXJPXRAPQDYBJR-STQMWFEESA-N 1 0 292.291 1.544 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)c2ccco2)cc1 ZINC000914795469 631573701 /nfs/dbraw/zinc/57/37/01/631573701.db2.gz MXJPXRAPQDYBJR-QWHCGFSZSA-N 1 0 292.291 1.544 20 5 CDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1Cn1nccc1[N+](=O)[O-] ZINC000153656698 631771332 /nfs/dbraw/zinc/77/13/32/631771332.db2.gz JRJZXHJGYNZYJG-NSHDSACASA-N 1 0 267.333 1.021 20 5 CDBDRO C[NH+]1CC(CNc2nc(C3CC3)nc(Cl)c2[N+](=O)[O-])C1 ZINC001170252121 1162324834 /nfs/dbraw/zinc/32/48/34/1162324834.db2.gz KODQKOFPARJFFQ-UHFFFAOYSA-N 1 0 297.746 1.889 20 5 CDBDRO CN(CC[NH3+])CCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001170499881 1162655528 /nfs/dbraw/zinc/65/55/28/1162655528.db2.gz XURWSDZHNZLRIM-UHFFFAOYSA-N 1 0 293.371 1.171 20 5 CDBDRO CCN(c1nc(C)cc(OC)c1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC001158204401 1162780767 /nfs/dbraw/zinc/78/07/67/1162780767.db2.gz FOXVZOXOURCIOS-LLVKDONJSA-N 1 0 294.355 1.885 20 5 CDBDRO C[C@@H](Nc1ccc2c([N+](=O)[O-])c[nH]c2n1)[C@H]1C[NH2+]CCO1 ZINC001170565321 1162930109 /nfs/dbraw/zinc/93/01/09/1162930109.db2.gz UVZQJDBXVBRIBE-LDYMZIIASA-N 1 0 291.311 1.260 20 5 CDBDRO COc1c(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000121979581 1159170630 /nfs/dbraw/zinc/17/06/30/1159170630.db2.gz SJDWRGGXLLNDQL-GHMZBOCLSA-N 1 0 293.323 1.603 20 5 CDBDRO Cc1c(F)cc([N+](=O)[O-])cc1-n1c(C)ncc(C[NH3+])c1=N ZINC001167676895 1159340259 /nfs/dbraw/zinc/34/02/59/1159340259.db2.gz CBXJFTQVNUHVOA-UHFFFAOYSA-N 1 0 291.286 1.475 20 5 CDBDRO CC[NH+](CC)CCOC(=O)COc1ccccc1[N+](=O)[O-] ZINC000789941512 1162115882 /nfs/dbraw/zinc/11/58/82/1162115882.db2.gz GORAXTVNDGIGJT-UHFFFAOYSA-N 1 0 296.323 1.859 20 5 CDBDRO Cn1c(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000810843899 1163324585 /nfs/dbraw/zinc/32/45/85/1163324585.db2.gz YNTKKOOZXJONBN-GHMZBOCLSA-N 1 0 293.323 1.717 20 5 CDBDRO C[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1C ZINC000815177619 1164112933 /nfs/dbraw/zinc/11/29/33/1164112933.db2.gz RSWUQMZTEVNROK-ZOWXZIJZSA-N 1 0 293.367 1.653 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000864618530 1164564081 /nfs/dbraw/zinc/56/40/81/1164564081.db2.gz JQKQITYMMDQMCM-JGPRNRPPSA-N 1 0 292.339 1.194 20 5 CDBDRO CC[N@@H+]1CCCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865528404 1164658484 /nfs/dbraw/zinc/65/84/84/1164658484.db2.gz RRFCHSXBQMSSPO-UHFFFAOYSA-N 1 0 297.330 1.758 20 5 CDBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)[NH+](C)C ZINC001609114220 1164775320 /nfs/dbraw/zinc/77/53/20/1164775320.db2.gz ZZPFSFMSRCOQQM-QMMMGPOBSA-N 1 0 291.315 1.137 20 5 CDBDRO CCC[C@@H](CCO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000872217901 1165397395 /nfs/dbraw/zinc/39/73/95/1165397395.db2.gz GZRROYGLBQPWNL-GXTWGEPZSA-N 1 0 282.340 1.769 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCCn1ccnc1 ZINC000041816252 1166024691 /nfs/dbraw/zinc/02/46/91/1166024691.db2.gz JMFVWCJGXSHSIY-UHFFFAOYSA-N 1 0 289.295 1.263 20 5 CDBDRO Cc1cc(N(CC[NH3+])CCO)nc2ccc([N+](=O)[O-])cc12 ZINC001155949463 1167275850 /nfs/dbraw/zinc/27/58/50/1167275850.db2.gz LWYPMFFLMGNERQ-UHFFFAOYSA-N 1 0 290.323 1.209 20 5 CDBDRO C[C@@H](C(=O)N[C@H]1C[NH2+]CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC001575071407 1171102363 /nfs/dbraw/zinc/10/23/63/1171102363.db2.gz XXXAJUNFLFQYFN-MFKMUULPSA-N 1 0 289.335 1.567 20 5 CDBDRO CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001577648454 1171711876 /nfs/dbraw/zinc/71/18/76/1171711876.db2.gz AFYNJIJATJVNMP-UHFFFAOYSA-N 1 0 295.343 1.025 20 5 CDBDRO CNc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH2+]3)cccc1[N+](=O)[O-] ZINC001578754057 1171995161 /nfs/dbraw/zinc/99/51/61/1171995161.db2.gz FDZMIWHJLQFFKU-MIMYLULJSA-N 1 0 290.323 1.259 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1NC[C@]1(O)CC[NH2+]C1 ZINC001580874555 1172557192 /nfs/dbraw/zinc/55/71/92/1172557192.db2.gz BBVDHULVTMBAAP-NSHDSACASA-N 1 0 271.704 1.385 20 5 CDBDRO C[C@H]1CCC[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590265376 1173327130 /nfs/dbraw/zinc/32/71/30/1173327130.db2.gz SMVPZTVLULNDNH-VIFPVBQESA-N 1 0 288.311 1.759 20 5 CDBDRO Cc1nc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000408067966 719153612 /nfs/dbraw/zinc/15/36/12/719153612.db2.gz QDQDSWQBPFTNNH-NXEZZACHSA-N 1 0 264.329 1.827 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865809286 1164693988 /nfs/dbraw/zinc/69/39/88/1164693988.db2.gz MLUZZCYDGNPGCV-LLVKDONJSA-N 1 0 295.314 1.487 20 5 CDBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H](C)C1 ZINC000866060550 1164727339 /nfs/dbraw/zinc/72/73/39/1164727339.db2.gz FUVDGKLVEZICMR-LLVKDONJSA-N 1 0 294.355 1.490 20 5 CDBDRO C[C@@]([NH3+])(C(=O)NCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000867953572 1164887443 /nfs/dbraw/zinc/88/74/43/1164887443.db2.gz ACPNROZKALHZNJ-JTQLQIEISA-N 1 0 291.229 1.447 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCCNC1=O ZINC000873130500 1165514605 /nfs/dbraw/zinc/51/46/05/1165514605.db2.gz FUTSCHLYMZZECD-LBPRGKRZSA-N 1 0 291.351 1.827 20 5 CDBDRO Cn1cc([C@@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000877072822 1165970108 /nfs/dbraw/zinc/97/01/08/1165970108.db2.gz WETDGKULUCOIGI-AWEZNQCLSA-N 1 0 290.323 1.194 20 5 CDBDRO Cc1ccc(C[NH+]2CCC(CO)(CO)CC2)cc1[N+](=O)[O-] ZINC000877797669 1166102872 /nfs/dbraw/zinc/10/28/72/1166102872.db2.gz PBGKLVXLEOZNIJ-UHFFFAOYSA-N 1 0 294.351 1.470 20 5 CDBDRO CCN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000110939460 1166536855 /nfs/dbraw/zinc/53/68/55/1166536855.db2.gz RREUJQDKFOKIAA-SNVBAGLBSA-N 1 0 283.353 1.870 20 5 CDBDRO Nc1cc(N[C@@H]2C[NH2+]Cc3ccsc32)ncc1[N+](=O)[O-] ZINC001155560923 1167232129 /nfs/dbraw/zinc/23/21/29/1167232129.db2.gz JMSACQOLOXXYPB-SECBINFHSA-N 1 0 291.336 1.890 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H](C)O)c1F ZINC001173175573 912283128 /nfs/dbraw/zinc/28/31/28/912283128.db2.gz PMKDLGNSBFQPSE-BDAKNGLRSA-N 1 0 286.303 1.644 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2C[C@H](O)C2)c1F ZINC001173188893 912286821 /nfs/dbraw/zinc/28/68/21/912286821.db2.gz MAFWDIZMNIEPGH-OPRDCNLKSA-N 1 0 298.314 1.786 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC(=O)N(C)C1 ZINC001173215766 912296738 /nfs/dbraw/zinc/29/67/38/912296738.db2.gz ZKXQFMXEHRAIRS-YPMHNXCESA-N 1 0 291.351 1.736 20 5 CDBDRO Cc1nnc(C[NH3+])n1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173228954 912321359 /nfs/dbraw/zinc/32/13/59/912321359.db2.gz OJCVLPBYDIRNQY-VIFPVBQESA-N 1 0 275.312 1.757 20 5 CDBDRO CNC(=O)[C@H](C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173234769 912328003 /nfs/dbraw/zinc/32/80/03/912328003.db2.gz PXIUXUFYNLHXLF-UWVGGRQHSA-N 1 0 265.313 1.250 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CN(C)CCO1 ZINC001173209782 912330431 /nfs/dbraw/zinc/33/04/31/912330431.db2.gz GCJIWRDMXPJKSS-WFASDCNBSA-N 1 0 293.367 1.446 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC001173211195 912330564 /nfs/dbraw/zinc/33/05/64/912330564.db2.gz QYUXJLOUSRZEGP-PWSUYJOCSA-N 1 0 298.364 1.303 20 5 CDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(F)F ZINC001122372287 913670345 /nfs/dbraw/zinc/67/03/45/913670345.db2.gz AEKRNTOVAPGSNL-UHFFFAOYSA-N 1 0 279.268 1.127 20 5 CDBDRO CC[NH+]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000051121414 896023016 /nfs/dbraw/zinc/02/30/16/896023016.db2.gz INLMVPANLIZAEE-UHFFFAOYSA-N 1 0 267.304 1.871 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000050246049 896906677 /nfs/dbraw/zinc/90/66/77/896906677.db2.gz BUSFADWNMWJWHA-ZETCQYMHSA-N 1 0 255.299 1.077 20 5 CDBDRO CS(=O)(=O)c1ccc(-n2cccc2C[NH3+])c([N+](=O)[O-])c1 ZINC001167600133 896976389 /nfs/dbraw/zinc/97/63/89/896976389.db2.gz HKYGIZMEGRHGSE-UHFFFAOYSA-N 1 0 295.320 1.248 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCO[C@H]2CCOC2)cc1 ZINC000724914082 897524377 /nfs/dbraw/zinc/52/43/77/897524377.db2.gz YOSMAYDLYJIUMX-AWEZNQCLSA-N 1 0 280.324 1.532 20 5 CDBDRO Cc1ccc(C(=O)N(C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000311229645 898695997 /nfs/dbraw/zinc/69/59/97/898695997.db2.gz ZFLOUYAOMKDJNP-SECBINFHSA-N 1 0 251.286 1.322 20 5 CDBDRO CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000093633715 900633656 /nfs/dbraw/zinc/63/36/56/900633656.db2.gz OZDUOUIPWPEUHT-UHFFFAOYSA-N 1 0 255.705 1.652 20 5 CDBDRO C[NH2+]Cc1cn(Cc2cc(Cl)ccc2[N+](=O)[O-])nn1 ZINC000093634334 900633875 /nfs/dbraw/zinc/63/38/75/900633875.db2.gz RIKKIOXHGOTNTN-UHFFFAOYSA-N 1 0 281.703 1.607 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001343487253 901533442 /nfs/dbraw/zinc/53/34/42/901533442.db2.gz NMGWBZDJWNCVGL-QMMMGPOBSA-N 1 0 285.731 1.644 20 5 CDBDRO COCCC[NH+]1CCC(Oc2ncccc2[N+](=O)[O-])CC1 ZINC001225596690 903200932 /nfs/dbraw/zinc/20/09/32/903200932.db2.gz RDNMNKAXISEMFQ-UHFFFAOYSA-N 1 0 295.339 1.870 20 5 CDBDRO C[NH2+]C[C@@H](C)c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000843171183 921181093 /nfs/dbraw/zinc/18/10/93/921181093.db2.gz SVJZERNOWUBFQQ-SECBINFHSA-N 1 0 276.296 1.892 20 5 CDBDRO C[C@@]1(c2nc(-c3ccc([N+](=O)[O-])s3)no2)CC[NH2+]C1 ZINC000843218700 921282261 /nfs/dbraw/zinc/28/22/61/921282261.db2.gz CLKNNWGKXXSBEW-LLVKDONJSA-N 1 0 280.309 1.957 20 5 CDBDRO [NH3+]Cc1cnn(-c2nc(C3CC3)nc(Cl)c2[N+](=O)[O-])c1 ZINC001168253821 907995858 /nfs/dbraw/zinc/99/58/58/907995858.db2.gz AOWMIRUEKUVUBW-UHFFFAOYSA-N 1 0 294.702 1.560 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc(CNC[C@H]3CCCO3)n2)o1 ZINC000843237737 921465102 /nfs/dbraw/zinc/46/51/02/921465102.db2.gz FFRUMGGTTZEXLF-MRVPVSSYSA-N 1 0 294.267 1.506 20 5 CDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000128517269 909643604 /nfs/dbraw/zinc/64/36/04/909643604.db2.gz XAYLYMCHHCMGRF-VXGBXAGGSA-N 1 0 295.295 1.752 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000164671567 911373876 /nfs/dbraw/zinc/37/38/76/911373876.db2.gz LAFFVKWNMGTAKJ-AAEUAGOBSA-N 1 0 279.344 1.165 20 5 CDBDRO O=C(NCCCCCC[NH2+]CC1CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178463757 915450461 /nfs/dbraw/zinc/45/04/61/915450461.db2.gz KVRXSPFPBFVDNW-ZIAGYGMSSA-N 1 0 297.399 1.718 20 5 CDBDRO CN(Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000071310906 917433904 /nfs/dbraw/zinc/43/39/04/917433904.db2.gz QBASVDXFMGMJQY-LLVKDONJSA-N 1 0 253.277 1.528 20 5 CDBDRO CN(CC1([NH+](C)C)CCC1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000829834700 936434877 /nfs/dbraw/zinc/43/48/77/936434877.db2.gz ZYAKGUALWHCRSF-UHFFFAOYSA-N 1 0 285.388 1.765 20 5 CDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826869868 936444590 /nfs/dbraw/zinc/44/45/90/936444590.db2.gz BEKIAODJWIZDSH-CMPLNLGQSA-N 1 0 283.372 1.421 20 5 CDBDRO C[C@@H]1[C@H](O)CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832219414 936565467 /nfs/dbraw/zinc/56/54/67/936565467.db2.gz DYFNRPDVFULDOI-OASPWFOLSA-N 1 0 266.297 1.083 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](O)C(F)(F)F)c1 ZINC000843062393 919400434 /nfs/dbraw/zinc/40/04/34/919400434.db2.gz IGGXSHQTYSSAEI-UWVGGRQHSA-N 1 0 294.229 1.141 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000832495626 936583383 /nfs/dbraw/zinc/58/33/83/936583383.db2.gz AOVJWGMDZNJZRS-DGCLKSJQSA-N 1 0 295.314 1.946 20 5 CDBDRO CC(C)(C)[NH2+]CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000825984780 920750958 /nfs/dbraw/zinc/75/09/58/920750958.db2.gz LSFMROGLHWKNCV-UHFFFAOYSA-N 1 0 259.350 1.326 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cnn(C3CCC3)c2)c1 ZINC000921860331 920907706 /nfs/dbraw/zinc/90/77/06/920907706.db2.gz BBUUKXGJXZZVJV-UHFFFAOYSA-N 1 0 290.327 1.503 20 5 CDBDRO Cc1c(C[NH2+][C@H]2C[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000707603892 923174973 /nfs/dbraw/zinc/17/49/73/923174973.db2.gz KWILPOMZRBRTRR-KLPPZKSPSA-N 1 0 250.298 1.764 20 5 CDBDRO CCOCCOCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000922942775 923383384 /nfs/dbraw/zinc/38/33/84/923383384.db2.gz ZGFDMIAFBOGARN-UHFFFAOYSA-N 1 0 268.313 1.738 20 5 CDBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839471833 936912751 /nfs/dbraw/zinc/91/27/51/936912751.db2.gz YAPUEHRWMCDOJW-QJPTWQEYSA-N 1 0 269.345 1.032 20 5 CDBDRO CC(C)(C)[NH+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001118579897 924654197 /nfs/dbraw/zinc/65/41/97/924654197.db2.gz YVKKNDFYBOMDPE-UHFFFAOYSA-N 1 0 280.328 1.616 20 5 CDBDRO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000840119341 936938810 /nfs/dbraw/zinc/93/88/10/936938810.db2.gz HGDNQVCFLLCWEM-JHJVBQTASA-N 1 0 280.328 1.374 20 5 CDBDRO [NH3+][C@H]1CCN(c2ccc3nsnc3c2[N+](=O)[O-])C1 ZINC001164282182 924747661 /nfs/dbraw/zinc/74/76/61/924747661.db2.gz UNKPYUBWIWQWCT-LURJTMIESA-N 1 0 265.298 1.137 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840672005 936956813 /nfs/dbraw/zinc/95/68/13/936956813.db2.gz AULFRKPRNVRRBW-HBNTYKKESA-N 1 0 256.302 1.069 20 5 CDBDRO C[NH+](C)C1(C)CN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC001165117536 924973243 /nfs/dbraw/zinc/97/32/43/924973243.db2.gz XJYCDIUXEJHETF-UHFFFAOYSA-N 1 0 270.720 1.784 20 5 CDBDRO COc1cnc(N2CCC(F)(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001165263486 925010827 /nfs/dbraw/zinc/01/08/27/925010827.db2.gz XPPCRRINZALXJT-UHFFFAOYSA-N 1 0 284.291 1.266 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841855767 937018612 /nfs/dbraw/zinc/01/86/12/937018612.db2.gz LZYWFPRGQSJXRW-SSDOTTSWSA-N 1 0 286.719 1.395 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@@H](C)C[NH+](C)C)n1 ZINC001155917009 927196785 /nfs/dbraw/zinc/19/67/85/927196785.db2.gz SORQYHBSNYZFGU-ZETCQYMHSA-N 1 0 269.305 1.064 20 5 CDBDRO CC(C)[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000843467983 937153311 /nfs/dbraw/zinc/15/33/11/937153311.db2.gz MFNGMBPBGDOEKX-GFCCVEGCSA-N 1 0 295.314 1.804 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccccc2F)C1 ZINC001168977025 927564019 /nfs/dbraw/zinc/56/40/19/927564019.db2.gz GZAADHHKTKMHBC-GYSYKLTISA-N 1 0 282.315 1.894 20 5 CDBDRO CCOC(CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)OCC ZINC001168978248 927565569 /nfs/dbraw/zinc/56/55/69/927565569.db2.gz QGTSBHNNGMEXHL-VXGBXAGGSA-N 1 0 274.361 1.811 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccco2)C1 ZINC001168956243 927577138 /nfs/dbraw/zinc/57/71/38/927577138.db2.gz ALRGMKGWDWKINL-GMTAPVOTSA-N 1 0 254.286 1.348 20 5 CDBDRO Cc1nc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cs1 ZINC001168958874 927578793 /nfs/dbraw/zinc/57/87/93/927578793.db2.gz QTUVEVUXFGJZEW-NXEZZACHSA-N 1 0 255.343 1.987 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)C1 ZINC001168963034 927584240 /nfs/dbraw/zinc/58/42/40/927584240.db2.gz NNQGDZQAJXECIF-CHWSQXEVSA-N 1 0 292.335 1.993 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ncccc2F)C1 ZINC001168964764 927586213 /nfs/dbraw/zinc/58/62/13/927586213.db2.gz VYAGVOOSTCDXAT-ZJUUUORDSA-N 1 0 253.277 1.756 20 5 CDBDRO CC(C)(CO)CCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168965974 927589534 /nfs/dbraw/zinc/58/95/34/927589534.db2.gz FICXYUYEIFOOGT-NWDGAFQWSA-N 1 0 258.362 1.820 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3nonc3c2)C1 ZINC001168965653 927589969 /nfs/dbraw/zinc/58/99/69/927589969.db2.gz BORJAVKQEZQCKK-GHMZBOCLSA-N 1 0 276.296 1.758 20 5 CDBDRO COC(=O)c1ccnc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168974420 927596748 /nfs/dbraw/zinc/59/67/48/927596748.db2.gz QGHDBUWKHAQWPQ-JQWIXIFHSA-N 1 0 293.323 1.403 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H]2COc3cnccc32)C1 ZINC001169001991 927605263 /nfs/dbraw/zinc/60/52/63/927605263.db2.gz IXJHWFOROSMYFT-UTUOFQBUSA-N 1 0 277.324 1.593 20 5 CDBDRO CC(=O)OCN1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169004963 927609153 /nfs/dbraw/zinc/60/91/53/927609153.db2.gz SUSFDQSHBATUTJ-OCCSQVGLSA-N 1 0 299.371 1.006 20 5 CDBDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@]1(C)O ZINC001169006954 927611874 /nfs/dbraw/zinc/61/18/74/927611874.db2.gz KOLVKFYOMRLKSJ-SYQHCUMBSA-N 1 0 270.373 1.915 20 5 CDBDRO [NH3+]Cc1ncccc1N[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168988861 927627767 /nfs/dbraw/zinc/62/77/67/927627767.db2.gz UFDQEDSVIHPAFK-ZJUUUORDSA-N 1 0 250.302 1.398 20 5 CDBDRO O=C1CCC2(CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)O1 ZINC001169032982 927638179 /nfs/dbraw/zinc/63/81/79/927638179.db2.gz AMYIVDWYAVBZRW-RYUDHWBXSA-N 1 0 282.340 1.603 20 5 CDBDRO CC(=O)N(C)C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169037114 927646945 /nfs/dbraw/zinc/64/69/45/927646945.db2.gz JBHNYNWODLZTFE-TZMCWYRMSA-N 1 0 283.372 1.375 20 5 CDBDRO C[N@H+](Cc1cnccn1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037450 927647014 /nfs/dbraw/zinc/64/70/14/927647014.db2.gz RXABYTJUFFMNAO-JQWIXIFHSA-N 1 0 250.302 1.354 20 5 CDBDRO CCC[N@H+](CC(=O)OCC)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039706 927649707 /nfs/dbraw/zinc/64/97/07/927649707.db2.gz SNHFKXJKIKBRCU-NWDGAFQWSA-N 1 0 272.345 1.707 20 5 CDBDRO O=C1NCC2(CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)O1 ZINC001169039211 927650993 /nfs/dbraw/zinc/65/09/93/927650993.db2.gz NYHZDHPZRSYPMZ-WDEREUQCSA-N 1 0 283.328 1.006 20 5 CDBDRO CCOC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039887 927653161 /nfs/dbraw/zinc/65/31/61/927653161.db2.gz VJQGJFYWLCCTAO-TUAOUCFPSA-N 1 0 270.329 1.459 20 5 CDBDRO CC1(O)CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776586352 927749172 /nfs/dbraw/zinc/74/91/72/927749172.db2.gz NBDBWVBDIOSATN-ZDUSSCGKSA-N 1 0 280.324 1.475 20 5 CDBDRO Nc1ccc(C(=O)NCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000852853324 927896485 /nfs/dbraw/zinc/89/64/85/927896485.db2.gz YSLBCIKGUNWWLP-UHFFFAOYSA-N 1 0 278.312 1.178 20 5 CDBDRO Cc1c(F)cc([N+](=O)[O-])cc1-n1nncc1C[NH3+] ZINC001169311703 927948436 /nfs/dbraw/zinc/94/84/36/927948436.db2.gz RYPLQWCREJILAM-UHFFFAOYSA-N 1 0 251.221 1.082 20 5 CDBDRO CC[C@@H]([NH2+]C)c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000854153052 928164727 /nfs/dbraw/zinc/16/47/27/928164727.db2.gz DJCFUFJWWXCIFX-SSDOTTSWSA-N 1 0 280.288 1.357 20 5 CDBDRO C[NH+](C)CCC(C)(C)Nc1cnc([N+](=O)[O-])cn1 ZINC001169719248 928375522 /nfs/dbraw/zinc/37/55/22/928375522.db2.gz ZNCLQRYNHYWZRD-UHFFFAOYSA-N 1 0 253.306 1.527 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCCCO2)nc1C1C[NH2+]C1 ZINC001156381426 928455727 /nfs/dbraw/zinc/45/57/27/928455727.db2.gz QLHOONJTXWITEL-SNVBAGLBSA-N 1 0 293.327 1.053 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H](C)[NH3+] ZINC000859690177 929053649 /nfs/dbraw/zinc/05/36/49/929053649.db2.gz CUDWLVIMPHTEBJ-SECBINFHSA-N 1 0 280.328 1.968 20 5 CDBDRO COc1c(F)cc(NC[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC001170045909 929143508 /nfs/dbraw/zinc/14/35/08/929143508.db2.gz XISYFCKEUVNLDR-SECBINFHSA-N 1 0 285.275 1.143 20 5 CDBDRO Cc1c(CC(=O)OCC[NH+]2CCC2)cccc1[N+](=O)[O-] ZINC000861389636 929290318 /nfs/dbraw/zinc/29/03/18/929290318.db2.gz SIWRWKOHZZBANS-UHFFFAOYSA-N 1 0 278.308 1.695 20 5 CDBDRO C[C@H]([NH3+])CN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000863569100 929572444 /nfs/dbraw/zinc/57/24/44/929572444.db2.gz PVTLQLKAFKVZJP-JTQLQIEISA-N 1 0 253.302 1.253 20 5 CDBDRO C[C@H]([NH2+]CCc1cnccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788799110 929595215 /nfs/dbraw/zinc/59/52/15/929595215.db2.gz RAZPJGWQIIURNG-JTQLQIEISA-N 1 0 287.323 1.860 20 5 CDBDRO OC[C@H]1C[NH2+]C[C@@H]1Nc1cc2cccnc2c2ncccc12 ZINC001170782868 929982705 /nfs/dbraw/zinc/98/27/05/929982705.db2.gz OSAZUNCJZSLGAE-DOMZBBRYSA-N 1 0 294.358 1.775 20 5 CDBDRO C[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815578303 930056564 /nfs/dbraw/zinc/05/65/64/930056564.db2.gz LTAFJSBKXYYPRK-OTYXRUKQSA-N 1 0 279.340 1.989 20 5 CDBDRO C[C@@H]([NH2+]C1COC(C)(C)OC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815615980 930066964 /nfs/dbraw/zinc/06/69/64/930066964.db2.gz CMHJPSCXPBLUFX-SECBINFHSA-N 1 0 295.339 1.979 20 5 CDBDRO COC[C@H](CO)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000883107521 930142282 /nfs/dbraw/zinc/14/22/82/930142282.db2.gz AYMWQVRHSUJDQO-NSHDSACASA-N 1 0 268.313 1.309 20 5 CDBDRO CC[NH+](CC)CCOC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000218177473 930376297 /nfs/dbraw/zinc/37/62/97/930376297.db2.gz XIZITMRAWIRKPC-UHFFFAOYSA-N 1 0 296.323 1.859 20 5 CDBDRO COc1ccc(NC(=O)[C@@H]2C[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000884306374 930519038 /nfs/dbraw/zinc/51/90/38/930519038.db2.gz CKYIWUSRXDKNRW-JTQLQIEISA-N 1 0 293.323 1.788 20 5 CDBDRO CC[NH2+]CC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000818486689 930711486 /nfs/dbraw/zinc/71/14/86/930711486.db2.gz CHQVSWKEVJWVEB-UHFFFAOYSA-N 1 0 285.731 1.816 20 5 CDBDRO COC(=O)CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818941247 930739183 /nfs/dbraw/zinc/73/91/83/930739183.db2.gz RHPAKIRUCDEUKL-GFCCVEGCSA-N 1 0 282.296 1.171 20 5 CDBDRO C[C@]1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000819146207 930762303 /nfs/dbraw/zinc/76/23/03/930762303.db2.gz SMIXAXFNFDJQCL-UONOGXRCSA-N 1 0 280.324 1.787 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001159743448 930785053 /nfs/dbraw/zinc/78/50/53/930785053.db2.gz FZLIGZPZJQZESZ-ZDUSSCGKSA-N 1 0 276.296 1.612 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CC[NH+](C2CCC2)CC1 ZINC000886010380 930787470 /nfs/dbraw/zinc/78/74/70/930787470.db2.gz ICWWPAQWIKLMJL-UHFFFAOYSA-N 1 0 276.340 1.660 20 5 CDBDRO C[C@@]1(CO)CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886134675 930812755 /nfs/dbraw/zinc/81/27/55/930812755.db2.gz YKQOYFNESPYRSH-LBPRGKRZSA-N 1 0 251.286 1.337 20 5 CDBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886170028 930820489 /nfs/dbraw/zinc/82/04/89/930820489.db2.gz NPIBLKHIYMJKDX-CABZTGNLSA-N 1 0 251.286 1.647 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@]12C[C@H]1COC2 ZINC000886201495 930825573 /nfs/dbraw/zinc/82/55/73/930825573.db2.gz HAEQSAHWPFBRJP-GSBHKFGHSA-N 1 0 260.293 1.987 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CC[NH+](CCCF)CC1 ZINC000886302469 930853914 /nfs/dbraw/zinc/85/39/14/930853914.db2.gz NTYGTOYAGLBWEI-UHFFFAOYSA-N 1 0 282.319 1.467 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000886830510 930971447 /nfs/dbraw/zinc/97/14/47/930971447.db2.gz RVCJOTWZYSUHKZ-NEPJUHHUSA-N 1 0 262.313 1.316 20 5 CDBDRO CC(C)[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[NH2+]1 ZINC000886835140 930971901 /nfs/dbraw/zinc/97/19/01/930971901.db2.gz ISJLCTRKGAXGOB-GFCCVEGCSA-N 1 0 264.329 1.420 20 5 CDBDRO COC[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000886918185 930994699 /nfs/dbraw/zinc/99/46/99/930994699.db2.gz TZLFDHMJEXTXRT-CHWSQXEVSA-N 1 0 295.339 1.521 20 5 CDBDRO Cc1ccc(-c2noc([C@@H]3C[C@@H]3[NH3+])n2)cc1[N+](=O)[O-] ZINC000822722927 931197045 /nfs/dbraw/zinc/19/70/45/931197045.db2.gz MAGWFBYUMUBTPU-BDAKNGLRSA-N 1 0 260.253 1.768 20 5 CDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C[NH+]1CCCC1 ZINC000822848720 931214332 /nfs/dbraw/zinc/21/43/32/931214332.db2.gz OYBWLNUEZHZSMQ-UHFFFAOYSA-N 1 0 291.351 1.692 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000823235922 931271367 /nfs/dbraw/zinc/27/13/67/931271367.db2.gz VWVNAEOUGXBCAS-JGVFFNPUSA-N 1 0 256.306 1.508 20 5 CDBDRO C[NH+](C)C(C)(C)CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823789664 931359176 /nfs/dbraw/zinc/35/91/76/931359176.db2.gz OGWJZWVEPPMUOX-LBPRGKRZSA-N 1 0 295.339 1.085 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CCC[NH3+] ZINC001118220410 937604632 /nfs/dbraw/zinc/60/46/32/937604632.db2.gz FZFUKHUPIHKCCU-SECBINFHSA-N 1 0 280.328 1.494 20 5 CDBDRO [NH3+]Cc1ccc2cn(-c3cnc(F)c([N+](=O)[O-])c3)nc2c1 ZINC001171322634 932652955 /nfs/dbraw/zinc/65/29/55/932652955.db2.gz CIYGSOBHXDBAEY-UHFFFAOYSA-N 1 0 287.254 1.927 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001154986781 937617046 /nfs/dbraw/zinc/61/70/46/937617046.db2.gz KDZNSXULEZYYDI-JGVFFNPUSA-N 1 0 251.290 1.254 20 5 CDBDRO Cc1cnc(-n2cncc2C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001155054459 937627836 /nfs/dbraw/zinc/62/78/36/937627836.db2.gz YMYIVGCFKQPOAO-UHFFFAOYSA-N 1 0 287.323 1.951 20 5 CDBDRO CCOc1nc(NC[C@H]2C[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC001155101827 937635223 /nfs/dbraw/zinc/63/52/23/937635223.db2.gz LCAQZSBHNDRJEL-NXEZZACHSA-N 1 0 280.328 1.798 20 5 CDBDRO C[C@@H]1COC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925642136 932919537 /nfs/dbraw/zinc/91/95/37/932919537.db2.gz QKSHXHVIHHRFIO-ZWNOBZJWSA-N 1 0 250.298 1.762 20 5 CDBDRO Cc1nc(Cl)nc(N[C@@H]2CC[NH2+][C@@H]2C)c1[N+](=O)[O-] ZINC001155187879 937646579 /nfs/dbraw/zinc/64/65/79/937646579.db2.gz RVSOWZLJIQYDSM-IYSWYEEDSA-N 1 0 271.708 1.509 20 5 CDBDRO O=[N+]([O-])CC[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000929796359 933271455 /nfs/dbraw/zinc/27/14/55/933271455.db2.gz ABVDHOYTIASZTB-CYBMUJFWSA-N 1 0 250.298 1.245 20 5 CDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000930092510 933314580 /nfs/dbraw/zinc/31/45/80/933314580.db2.gz ALZXNZXJZSFULZ-GFCCVEGCSA-N 1 0 274.324 1.777 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000930666606 933426614 /nfs/dbraw/zinc/42/66/14/933426614.db2.gz LFJORGWYKXTPJF-LLVKDONJSA-N 1 0 270.354 1.818 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])C[C@H]21 ZINC000931279688 933528587 /nfs/dbraw/zinc/52/85/87/933528587.db2.gz NTDQMUTXLQTSKW-MSRIBSCDSA-N 1 0 279.315 1.726 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932006281 933649298 /nfs/dbraw/zinc/64/92/98/933649298.db2.gz JJBACSWYZVIQPY-SNVBAGLBSA-N 1 0 296.298 1.929 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1COC[C@H]1C ZINC000932495336 933723583 /nfs/dbraw/zinc/72/35/83/933723583.db2.gz ZYSDBMISLURYAS-MFKMUULPSA-N 1 0 293.323 1.466 20 5 CDBDRO C[C@@H]1[C@H](O)CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832219416 934803986 /nfs/dbraw/zinc/80/39/86/934803986.db2.gz DYFNRPDVFULDOI-WQAKAFBOSA-N 1 0 266.297 1.083 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000718991198 934838450 /nfs/dbraw/zinc/83/84/50/934838450.db2.gz ZWMBQTYGFWIGJT-LLVKDONJSA-N 1 0 296.298 1.929 20 5 CDBDRO [NH3+]C1CCC(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000091843246 934877742 /nfs/dbraw/zinc/87/77/42/934877742.db2.gz YAESEYUAWQVBDS-XCVCLJGOSA-N 1 0 289.335 1.994 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCOCC2)cc1 ZINC000097603006 935090281 /nfs/dbraw/zinc/09/02/81/935090281.db2.gz IDRVWDQKSUBFEQ-CYBMUJFWSA-N 1 0 266.297 1.397 20 5 CDBDRO C[C@@H]1C[C@H](O)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832717338 935944130 /nfs/dbraw/zinc/94/41/30/935944130.db2.gz FNGRPGGVCBKKQC-SWHYSGLUSA-N 1 0 280.324 1.331 20 5 CDBDRO CNC(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCCC1 ZINC000801522971 935995962 /nfs/dbraw/zinc/99/59/62/935995962.db2.gz HVAGAOFMBLMKNP-UHFFFAOYSA-N 1 0 295.314 1.882 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(-n2ccnc2CC[NH3+])n1 ZINC001156478412 938372815 /nfs/dbraw/zinc/37/28/15/938372815.db2.gz JRBDXLOVPONUIN-UHFFFAOYSA-N 1 0 261.285 1.294 20 5 CDBDRO C[C@@H]1CN(c2ccc3c(cccc3[N+](=O)[O-])n2)CC[NH2+]1 ZINC001156688968 938406009 /nfs/dbraw/zinc/40/60/09/938406009.db2.gz FYDLKOSOQLKOQE-SNVBAGLBSA-N 1 0 272.308 1.941 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(N[C@H]3C[NH2+]CC[C@H]3F)c2c1 ZINC001157447776 938493045 /nfs/dbraw/zinc/49/30/45/938493045.db2.gz KSQHSACTWPNMEB-PWSUYJOCSA-N 1 0 291.286 1.650 20 5 CDBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1C[C@@H]2C[NH2+][C@@H]2C1 ZINC001157619902 938521223 /nfs/dbraw/zinc/52/12/23/938521223.db2.gz RBAQLACYHRVPKK-CRCLSJGQSA-N 1 0 290.110 1.100 20 5 CDBDRO Cc1cnc(NCC2(N3CCCC3)COC2)c([N+](=O)[O-])c1 ZINC001157649836 938526197 /nfs/dbraw/zinc/52/61/97/938526197.db2.gz FLKZXKLSJRQWRY-UHFFFAOYSA-N 1 0 292.339 1.575 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCCN1c1nccc(Cl)c1[N+](=O)[O-] ZINC001157734350 938538410 /nfs/dbraw/zinc/53/84/10/938538410.db2.gz VUHWFIMACGGDRA-CBAPKCEASA-N 1 0 270.720 1.959 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N[C@H]2CCCC[C@@H]2[NH+](C)C)n1 ZINC001157797115 938547298 /nfs/dbraw/zinc/54/72/98/938547298.db2.gz LXHWGTJCWFPHJL-QWRGUYRKSA-N 1 0 279.344 1.978 20 5 CDBDRO [NH3+]Cc1cccc(-c2nnn(-c3cc([N+](=O)[O-])ccn3)n2)c1 ZINC001158042775 938578751 /nfs/dbraw/zinc/57/87/51/938578751.db2.gz NKATTZYMVXYALR-UHFFFAOYSA-N 1 0 297.278 1.091 20 5 CDBDRO COc1nc(N2CC[N@H+](C(C)C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001158494463 938629828 /nfs/dbraw/zinc/62/98/28/938629828.db2.gz JXCAKBRNACKNRQ-NSHDSACASA-N 1 0 294.355 1.917 20 5 CDBDRO Cc1nc(N2CC[N@@H+](C(C)C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC001158501182 938630493 /nfs/dbraw/zinc/63/04/93/938630493.db2.gz NJJNGCLUWZPXSZ-JTQLQIEISA-N 1 0 279.344 1.612 20 5 CDBDRO [NH3+]Cc1ccn(-c2cc(Cl)cc([N+](=O)[O-])n2)c1 ZINC001158763351 938660749 /nfs/dbraw/zinc/66/07/49/938660749.db2.gz BOCYVUXMFBZYCT-UHFFFAOYSA-N 1 0 252.661 1.893 20 5 CDBDRO COC(=O)c1cnc(-n2ccc(C[NH3+])c2)c([N+](=O)[O-])c1 ZINC001158764596 938661356 /nfs/dbraw/zinc/66/13/56/938661356.db2.gz SHMWYZOFXYSOEL-UHFFFAOYSA-N 1 0 276.252 1.026 20 5 CDBDRO C[C@H](Nc1ccc2[nH]cc([N+](=O)[O-])c2n1)[C@@H]1C[NH2+]CCO1 ZINC001159498219 938734144 /nfs/dbraw/zinc/73/41/44/938734144.db2.gz KPUCOOCPNMKFPA-KWQFWETISA-N 1 0 291.311 1.260 20 5 CDBDRO Cc1ccnc(N[C@@]2(C[NH3+])CN3CCC2CC3)c1[N+](=O)[O-] ZINC001160510083 938792322 /nfs/dbraw/zinc/79/23/22/938792322.db2.gz FSOCBGMOYOILTC-AWEZNQCLSA-N 1 0 291.355 1.133 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001160534704 938796988 /nfs/dbraw/zinc/79/69/88/938796988.db2.gz WJQBCLWLNBNFHD-JTQLQIEISA-N 1 0 294.355 1.636 20 5 CDBDRO Cc1ccc(CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])o1 ZINC001161765161 938930971 /nfs/dbraw/zinc/93/09/71/938930971.db2.gz DAUTWHLHRHRNJP-UHFFFAOYSA-N 1 0 289.295 1.585 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)CN1CC[NH2+]CC1 ZINC001162092613 938955467 /nfs/dbraw/zinc/95/54/67/938955467.db2.gz JALDLRBPVOCEJF-LBPRGKRZSA-N 1 0 278.356 1.609 20 5 CDBDRO COc1nc(N[C@H]2CCC[C@H]([NH3+])C2)nc(C)c1[N+](=O)[O-] ZINC001162390010 939041294 /nfs/dbraw/zinc/04/12/94/939041294.db2.gz BIPNWPYKQBCFAZ-IUCAKERBSA-N 1 0 281.316 1.384 20 5 CDBDRO Cc1c(F)cnc(NC[C@@H]2C[C@H](F)C[NH2+]2)c1[N+](=O)[O-] ZINC001162472401 939062710 /nfs/dbraw/zinc/06/27/10/939062710.db2.gz HWVPJCPIHQQEHG-YUMQZZPRSA-N 1 0 272.255 1.549 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@H]1C[NH2+][C@H](C)C1 ZINC001162555048 939086984 /nfs/dbraw/zinc/08/69/84/939086984.db2.gz KIPPNYBRYOUZIR-RKDXNWHRSA-N 1 0 266.301 1.408 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C=C[C@@H]2C[NH2+]C[C@H]12 ZINC001162789504 939139374 /nfs/dbraw/zinc/13/93/74/939139374.db2.gz GXGGTRNQLATKDH-ADEWGFFLSA-N 1 0 260.297 1.484 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)c([N+](=O)[O-])c1 ZINC001162794561 939142317 /nfs/dbraw/zinc/14/23/17/939142317.db2.gz PYBZKHLFFDGJAI-FKTZTGRPSA-N 1 0 291.267 1.084 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)nc2[nH]ccc21 ZINC001162796729 939143797 /nfs/dbraw/zinc/14/37/97/939143797.db2.gz GFEKORTWMZGUIW-FBIMIBRVSA-N 1 0 285.307 1.657 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)c1 ZINC001162798919 939144838 /nfs/dbraw/zinc/14/48/38/939144838.db2.gz VVXITURIFYEZIN-FXBDTBDDSA-N 1 0 296.714 1.068 20 5 CDBDRO O=[N+]([O-])c1ncccc1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001163088521 939196750 /nfs/dbraw/zinc/19/67/50/939196750.db2.gz FCIAZAPCJFWOOO-JTQLQIEISA-N 1 0 278.312 1.170 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163197474 939223323 /nfs/dbraw/zinc/22/33/23/939223323.db2.gz WVQJDUFXTWDQDD-ZWNOBZJWSA-N 1 0 263.297 1.446 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1N[C@H]1C[NH+]2CCC1CC2 ZINC001163386843 939260311 /nfs/dbraw/zinc/26/03/11/939260311.db2.gz ZLBBTJALMOFOSW-LBPRGKRZSA-N 1 0 277.328 1.538 20 5 CDBDRO CN1CCC(CNc2ncccc2[N+](=O)[O-])([NH+](C)C)CC1 ZINC001164211737 939431145 /nfs/dbraw/zinc/43/11/45/939431145.db2.gz REDQWVTXFSDQAL-UHFFFAOYSA-N 1 0 293.371 1.428 20 5 CDBDRO [NH3+][C@@H]1CCN(c2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001164279885 939445271 /nfs/dbraw/zinc/44/52/71/939445271.db2.gz VDQHIGDKYHHYKD-SSDOTTSWSA-N 1 0 277.259 1.215 20 5 CDBDRO CCOc1nc(N2CCC[C@@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC001165078101 939508285 /nfs/dbraw/zinc/50/82/85/939508285.db2.gz SYTWRPRKWPJMKB-LLVKDONJSA-N 1 0 294.355 1.919 20 5 CDBDRO CC(C)[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2N)C[C@H]1C ZINC001165200412 939522930 /nfs/dbraw/zinc/52/29/30/939522930.db2.gz XSWNKCFAWFNNJJ-SNVBAGLBSA-N 1 0 279.344 1.491 20 5 CDBDRO [NH3+][C@]12C[C@H]1CN(c1nccc3ccc([N+](=O)[O-])cc31)C2 ZINC001165316130 939544753 /nfs/dbraw/zinc/54/47/53/939544753.db2.gz JQXSPQQXZPZODR-HZMBPMFUSA-N 1 0 270.292 1.680 20 5 CDBDRO [NH3+][C@H]1[C@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)C[C@@H]12 ZINC001165383006 939553947 /nfs/dbraw/zinc/55/39/47/939553947.db2.gz LRNBPCLJIGBDDW-WDAIWFPHSA-N 1 0 270.292 1.536 20 5 CDBDRO COc1cc(C)nc(N2CCC[C@H]3[NH2+]C[C@@H]32)c1[N+](=O)[O-] ZINC001165393813 939557796 /nfs/dbraw/zinc/55/77/96/939557796.db2.gz UPSAOKPOYOFLQH-ZJUUUORDSA-N 1 0 278.312 1.247 20 5 CDBDRO Nc1nc(N2CCC(C3C[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC001165410124 939560341 /nfs/dbraw/zinc/56/03/41/939560341.db2.gz WVYHWTWYXBMPFH-UHFFFAOYSA-N 1 0 277.328 1.008 20 5 CDBDRO COCc1nn(-c2ncc([N+](=O)[O-])cc2F)c2c1C[NH2+]C2 ZINC001165631569 939572407 /nfs/dbraw/zinc/57/24/07/939572407.db2.gz CDAWKDGVKJQCDI-UHFFFAOYSA-N 1 0 293.258 1.064 20 5 CDBDRO [NH3+]CCc1nccn1-c1ncc2cccc([N+](=O)[O-])c2n1 ZINC001166352018 939605207 /nfs/dbraw/zinc/60/52/07/939605207.db2.gz XGHMZZXWSSLORT-UHFFFAOYSA-N 1 0 284.279 1.225 20 5 CDBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3C[C@H]2C[C@H]3F)nc1C1C[NH2+]C1 ZINC001166533068 939611400 /nfs/dbraw/zinc/61/14/00/939611400.db2.gz KXLUOUWMTWVSGB-UJNFCWOMSA-N 1 0 293.302 1.008 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCOc1ccccc1 ZINC001204959544 939808514 /nfs/dbraw/zinc/80/85/14/939808514.db2.gz SYYWJSWCBGTWOC-CYBMUJFWSA-N 1 0 282.360 1.066 20 5 CDBDRO COc1ncc(Nc2cc[nH+]c(C)c2)cc1[N+](=O)[O-] ZINC001210134428 940665189 /nfs/dbraw/zinc/66/51/89/940665189.db2.gz GQLOJJWLECZHKS-UHFFFAOYSA-N 1 0 260.253 1.867 20 5 CDBDRO CC(C)([NH3+])CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000405885095 940999302 /nfs/dbraw/zinc/99/93/02/940999302.db2.gz JOZIXJCBOFTEQE-UHFFFAOYSA-N 1 0 265.313 1.381 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1C[NH2+]C[C@@H]1F ZINC001218020923 941036415 /nfs/dbraw/zinc/03/64/15/941036415.db2.gz ULJXBLIKIKBLLQ-QWRGUYRKSA-N 1 0 254.261 1.900 20 5 CDBDRO O=[N+]([O-])c1nc(Cl)ccc1O[C@@H]1CCC[NH2+]C1 ZINC001218285305 941052256 /nfs/dbraw/zinc/05/22/56/941052256.db2.gz JKLTUURTAHEOML-SSDOTTSWSA-N 1 0 257.677 1.774 20 5 CDBDRO COC(=O)[C@H](O[C@@H]1CC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC001223638878 941689234 /nfs/dbraw/zinc/68/92/34/941689234.db2.gz ABWVCUZTILHDEE-ZWNOBZJWSA-N 1 0 294.307 1.530 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCC1CN(C(=O)OC(C)(C)C)C1 ZINC001224447304 941755899 /nfs/dbraw/zinc/75/58/99/941755899.db2.gz WEBHCHRSRMZZFP-GFCCVEGCSA-N 1 0 287.424 1.965 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OCC1CC[NH+](C)CC1 ZINC001224455759 941756635 /nfs/dbraw/zinc/75/66/35/941756635.db2.gz VWAKFEPMNDMNHK-LLVKDONJSA-N 1 0 296.371 1.847 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1nccc(C(F)(F)F)n1 ZINC001225711406 941902757 /nfs/dbraw/zinc/90/27/57/941902757.db2.gz WHNZWUAFQSNXLU-MRVPVSSYSA-N 1 0 264.271 1.969 20 5 CDBDRO CCOC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)nc1 ZINC001226699256 942052425 /nfs/dbraw/zinc/05/24/25/942052425.db2.gz PHCOTLPLZMMBBU-NSHDSACASA-N 1 0 267.349 1.732 20 5 CDBDRO C[C@H](C[NH+](C)C)Oc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001227109095 942134919 /nfs/dbraw/zinc/13/49/19/942134919.db2.gz RYWGWOKBFTTZRL-SSDOTTSWSA-N 1 0 270.245 1.227 20 5 CDBDRO CCCc1c(O)cccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227148882 942140781 /nfs/dbraw/zinc/14/07/81/942140781.db2.gz ZBSRRSOOMDTPSX-GFCCVEGCSA-O 1 0 296.387 1.707 20 5 CDBDRO C[N@@H+]1CCC[C@H](Oc2ncncc2[N+](=O)[O-])CC1 ZINC001228656501 942349091 /nfs/dbraw/zinc/34/90/91/942349091.db2.gz FULZVQJCGFMHEJ-VIFPVBQESA-N 1 0 252.274 1.248 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncc(Cl)cc1F ZINC001228832203 942382150 /nfs/dbraw/zinc/38/21/50/942382150.db2.gz RLBWGTMODQSHLW-SECBINFHSA-N 1 0 291.730 1.237 20 5 CDBDRO C[N@@H+]1CCC[C@H](Oc2cc[n+]([O-])cc2[N+](=O)[O-])CC1 ZINC001229454828 942476860 /nfs/dbraw/zinc/47/68/60/942476860.db2.gz RCPMSVVRJFWYCB-JTQLQIEISA-N 1 0 267.285 1.091 20 5 CDBDRO CC[NH+]1CCC(Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)CC1 ZINC001230230695 942593608 /nfs/dbraw/zinc/59/36/08/942593608.db2.gz ZSZKTLFJGSBRQI-UHFFFAOYSA-N 1 0 291.311 1.729 20 5 CDBDRO CN1CCO[C@H](COc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC001230314789 942606477 /nfs/dbraw/zinc/60/64/77/942606477.db2.gz HACCFIPTHRCYIT-VIFPVBQESA-N 1 0 297.267 1.212 20 5 CDBDRO [NH3+]Cc1cncn1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254567019 947527351 /nfs/dbraw/zinc/52/73/51/947527351.db2.gz MLGHKWTZRYMHAY-LBPRGKRZSA-N 1 0 258.281 1.590 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCn1ccnc1)C2 ZINC001254566403 947527510 /nfs/dbraw/zinc/52/75/10/947527510.db2.gz JPHIZTKOSHFQOV-ZDUSSCGKSA-N 1 0 272.308 1.548 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](O)c1ccco1)C2 ZINC001254566078 947527807 /nfs/dbraw/zinc/52/78/07/947527807.db2.gz HMEHQELTIVCBII-GXTWGEPZSA-N 1 0 288.303 1.978 20 5 CDBDRO C[C@@]1(O)C[C@@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254573482 947532417 /nfs/dbraw/zinc/53/24/17/947532417.db2.gz AHILLSUZJSXUBJ-OBJOEFQTSA-N 1 0 262.309 1.565 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC3(COC3)C1)C2 ZINC001254594442 947546593 /nfs/dbraw/zinc/54/65/93/947546593.db2.gz QYQWMPSFFJYZKF-CQSZACIVSA-N 1 0 274.320 1.784 20 5 CDBDRO C[NH+](C)C1(C)CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254604277 947553083 /nfs/dbraw/zinc/55/30/83/947553083.db2.gz UIQIYPTXACQBIT-AWEZNQCLSA-N 1 0 275.352 1.698 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[NH+]3CCC1CC3)C2 ZINC001254602988 947554017 /nfs/dbraw/zinc/55/40/17/947554017.db2.gz JOVXQTDICJFFFI-MRXNPFEDSA-N 1 0 287.363 1.842 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@@H](CC[NH3+])C2)c1[N+](=O)[O-] ZINC000723691112 947778424 /nfs/dbraw/zinc/77/84/24/947778424.db2.gz HSBPGMMZALEFLX-LLVKDONJSA-N 1 0 277.324 1.714 20 5 CDBDRO CCOC(=O)[C@H](N)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001246416993 948164546 /nfs/dbraw/zinc/16/45/46/948164546.db2.gz LIFQTJMVHKPOKS-ZYHUDNBSSA-N 1 0 295.339 1.006 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CC[NH2+]C2)n1 ZINC001248183149 948960131 /nfs/dbraw/zinc/96/01/31/948960131.db2.gz BDQRYEBHKIPSPL-LURJTMIESA-N 1 0 279.231 1.256 20 5 CDBDRO O=C1C[C@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CN1 ZINC001327511010 954912734 /nfs/dbraw/zinc/91/27/34/954912734.db2.gz ABQNUHOIDFUHIT-JTQLQIEISA-N 1 0 275.308 1.089 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N[C@@H](C)CC[NH+](C)C ZINC001328517343 955320780 /nfs/dbraw/zinc/32/07/80/955320780.db2.gz YMOMXQYTGWOKMI-JTQLQIEISA-N 1 0 252.318 1.472 20 5 CDBDRO CN(CC1CC[NH+](C)CC1)c1c([N+](=O)[O-])cnn1C ZINC001334922089 959458534 /nfs/dbraw/zinc/45/85/34/959458534.db2.gz QQCOIEHNOGLNKH-UHFFFAOYSA-N 1 0 267.333 1.106 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCC(F)F ZINC001335954254 960120209 /nfs/dbraw/zinc/12/02/09/960120209.db2.gz LWRQCRQQCVQGBW-VIFPVBQESA-N 1 0 290.266 1.579 20 5 CDBDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001336514361 960376843 /nfs/dbraw/zinc/37/68/43/960376843.db2.gz VAAZOSATZTXVTL-GHMZBOCLSA-N 1 0 279.344 1.857 20 5 CDBDRO NC(=O)c1cnccc1N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001337953253 961533743 /nfs/dbraw/zinc/53/37/43/961533743.db2.gz FDPFYYIDBKCARJ-UHFFFAOYSA-N 1 0 284.275 1.609 20 5 CDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001340725777 963092368 /nfs/dbraw/zinc/09/23/68/963092368.db2.gz JBZQDVCVRBLBKN-YNEHKIRRSA-N 1 0 289.335 1.394 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H](C)[NH3+] ZINC001340733372 963094684 /nfs/dbraw/zinc/09/46/84/963094684.db2.gz DMRFJKRLCRWFII-MRVPVSSYSA-N 1 0 283.353 1.736 20 5 CDBDRO C[C@@H](NC(=O)[C@H](C)[C@H](C)[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001341110485 963278115 /nfs/dbraw/zinc/27/81/15/963278115.db2.gz WOPWBZYXZAJAPZ-KXUCPTDWSA-N 1 0 265.313 1.755 20 5 CDBDRO C[C@@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001341110486 963280214 /nfs/dbraw/zinc/28/02/14/963280214.db2.gz WOPWBZYXZAJAPZ-LPEHRKFASA-N 1 0 265.313 1.755 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341624337 963486502 /nfs/dbraw/zinc/48/65/02/963486502.db2.gz SHKASMXGFOEHBB-RDBSUJKOSA-N 1 0 289.335 1.648 20 5 CDBDRO CN(C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC001341778376 963539472 /nfs/dbraw/zinc/53/94/72/963539472.db2.gz QYFULSIWQRXJSF-HOFDXXJLSA-N 1 0 289.335 1.646 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N[C@H]1CCN(c2ccccn2)C1 ZINC001341816726 963551683 /nfs/dbraw/zinc/55/16/83/963551683.db2.gz RPLJUZGWDLNWSE-LBPRGKRZSA-N 1 0 299.334 1.806 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NCC[N@H+](C)C1CC1 ZINC001342848520 963840461 /nfs/dbraw/zinc/84/04/61/963840461.db2.gz SZNUMYXWZOMCOO-UHFFFAOYSA-N 1 0 266.301 1.505 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N(C)CC[N@H+](C)C1CC1 ZINC001346096026 964927466 /nfs/dbraw/zinc/92/74/66/964927466.db2.gz ANOSUEPWEIBBDC-UHFFFAOYSA-N 1 0 264.329 1.829 20 5 CDBDRO C[C@](O)(C[NH2+]CCNc1ccc([N+](=O)[O-])cc1)C(F)F ZINC001346151070 964957139 /nfs/dbraw/zinc/95/71/39/964957139.db2.gz RZGZYBKYWVMBPQ-LBPRGKRZSA-N 1 0 289.282 1.612 20 5 CDBDRO C[C@@H]([NH3+])CN(C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001353248887 967820692 /nfs/dbraw/zinc/82/06/92/967820692.db2.gz VNNPZHLOAISDDT-ZJUUUORDSA-N 1 0 280.328 1.644 20 5 CDBDRO CCS(=O)(=O)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848525382 969151345 /nfs/dbraw/zinc/15/13/45/969151345.db2.gz PJJRAEVLPYLVIA-LBPRGKRZSA-N 1 0 298.364 1.606 20 5 CDBDRO Cc1cc(C(=O)NC2CC3(CC([NH3+])C3)C2)ccc1[N+](=O)[O-] ZINC001356176800 969352755 /nfs/dbraw/zinc/35/27/55/969352755.db2.gz TXQASKONDRUBDV-UHFFFAOYSA-N 1 0 289.335 1.903 20 5 CDBDRO Cc1cc(NC(=O)[C@H]2CC[NH2+][C@H]2C)cc([N+](=O)[O-])c1 ZINC001356538721 969421200 /nfs/dbraw/zinc/42/12/00/969421200.db2.gz WZMJUKRXMUKKNI-CABZTGNLSA-N 1 0 263.297 1.840 20 5 CDBDRO CCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001356545126 969422099 /nfs/dbraw/zinc/42/20/99/969422099.db2.gz NNCAVDNPCSSMJZ-UHFFFAOYSA-N 1 0 251.286 1.923 20 5 CDBDRO [NH3+]C1(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC001358377423 969727520 /nfs/dbraw/zinc/72/75/20/969727520.db2.gz YMCFBFDJTLKSTR-UHFFFAOYSA-N 1 0 281.337 1.294 20 5 CDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC([NH3+])CC1 ZINC001574226691 1170924879 /nfs/dbraw/zinc/92/48/79/1170924879.db2.gz PGALHSGCRQSJAM-UHFFFAOYSA-N 1 0 293.249 1.275 20 5 CDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1C[C@@H]([NH3+])C1 ZINC001578480270 1171930170 /nfs/dbraw/zinc/93/01/70/1171930170.db2.gz DHZYITUNEMUELW-TXEJJXNPSA-N 1 0 292.339 1.268 20 5 CDBDRO COC(=O)COC[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000294952194 199268340 /nfs/dbraw/zinc/26/83/40/199268340.db2.gz DHXWJNPRVAFPEG-LLVKDONJSA-N 1 0 296.323 1.305 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601170889 342485906 /nfs/dbraw/zinc/48/59/06/342485906.db2.gz GAZGPRUNBDORGB-SNVBAGLBSA-N 1 0 295.314 1.758 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1NCC[N@H+]1CC[C@H](O)C1 ZINC000599199165 343979084 /nfs/dbraw/zinc/97/90/84/343979084.db2.gz FZBNZXBWNWAEPA-VIFPVBQESA-N 1 0 286.719 1.122 20 5 CDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COC[C@@H]1O ZINC000601292136 342549641 /nfs/dbraw/zinc/54/96/41/342549641.db2.gz SITYFMUISTYTRI-SUHUHFCYSA-N 1 0 280.324 1.265 20 5 CDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000590402543 342543851 /nfs/dbraw/zinc/54/38/51/342543851.db2.gz DCXOFGHWZGVFPW-WCQYABFASA-N 1 0 291.351 1.688 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c(F)c1 ZINC000601330829 342554798 /nfs/dbraw/zinc/55/47/98/342554798.db2.gz YEDQELNOLKWYSQ-PHIMTYICSA-N 1 0 265.288 1.670 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@H+](CCc2c[nH]nn2)C2CC2)cc1 ZINC000590605869 342578131 /nfs/dbraw/zinc/57/81/31/342578131.db2.gz RDXZNXNVTDBNRN-UHFFFAOYSA-N 1 0 287.323 1.920 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000237488472 342060250 /nfs/dbraw/zinc/06/02/50/342060250.db2.gz SONSIILOYLPVFS-BDAKNGLRSA-N 1 0 278.312 1.129 20 5 CDBDRO O=[N+]([O-])c1ccccc1CNC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591281638 342624309 /nfs/dbraw/zinc/62/43/09/342624309.db2.gz HDVJNGMMOZLZHQ-QWRGUYRKSA-N 1 0 253.277 1.384 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3CC[NH2+][C@H]3C2)n1 ZINC000591437739 342631895 /nfs/dbraw/zinc/63/18/95/342631895.db2.gz JWICHNBDMAMDDU-RYUDHWBXSA-N 1 0 276.340 1.795 20 5 CDBDRO C[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[C@@H]1[NH3+] ZINC000591428591 342629937 /nfs/dbraw/zinc/62/99/37/342629937.db2.gz SWBVRTKLQWYZQL-KOLCDFICSA-N 1 0 276.340 1.736 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCC[NH3+] ZINC000591678638 342641531 /nfs/dbraw/zinc/64/15/31/342641531.db2.gz CMPROATZBMYXEX-UHFFFAOYSA-N 1 0 267.285 1.024 20 5 CDBDRO Cc1cccc(C(=O)N2CCC(C)([NH3+])CC2)c1[N+](=O)[O-] ZINC000592331574 342685513 /nfs/dbraw/zinc/68/55/13/342685513.db2.gz WZHPMQOGWGYDDP-UHFFFAOYSA-N 1 0 277.324 1.857 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000592475187 342698850 /nfs/dbraw/zinc/69/88/50/342698850.db2.gz ASDCTNRRKHDESA-RISCZKNCSA-N 1 0 295.339 1.022 20 5 CDBDRO CC(C)([NH3+])CCC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000592532537 342704706 /nfs/dbraw/zinc/70/47/06/342704706.db2.gz IVNBWMZITSANHA-UHFFFAOYSA-N 1 0 295.339 1.607 20 5 CDBDRO CC1([NH3+])CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000592543775 342708792 /nfs/dbraw/zinc/70/87/92/342708792.db2.gz JFBATJJPWOUJGU-UHFFFAOYSA-N 1 0 277.324 1.477 20 5 CDBDRO O=C1NCCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594516799 342917224 /nfs/dbraw/zinc/91/72/24/342917224.db2.gz FKKAEOKRRBVCDF-GWCFXTLKSA-N 1 0 289.335 1.698 20 5 CDBDRO C[NH+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000150296622 342266213 /nfs/dbraw/zinc/26/62/13/342266213.db2.gz YMUSRAUKLHCTOF-UHFFFAOYSA-N 1 0 273.296 1.290 20 5 CDBDRO [NH3+]CCSCc1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594652008 342933346 /nfs/dbraw/zinc/93/33/46/342933346.db2.gz IIVRAAAWPMIEKF-UHFFFAOYSA-N 1 0 295.324 1.073 20 5 CDBDRO CCC[C@H](CC)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000050403344 342291311 /nfs/dbraw/zinc/29/13/11/342291311.db2.gz KYGYLZZWCXSTJV-CMPLNLGQSA-N 1 0 270.333 1.321 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H]1CC[NH3+] ZINC000404303551 346904917 /nfs/dbraw/zinc/90/49/17/346904917.db2.gz BYNPSKQOFXTZNC-WDEREUQCSA-N 1 0 294.355 1.523 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C/C=C\CO)n1 ZINC000595074003 343002629 /nfs/dbraw/zinc/00/26/29/343002629.db2.gz UQOAOSHNUGYNLP-RRNNCXACSA-N 1 0 280.328 1.413 20 5 CDBDRO CC(C)C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000074995487 342308574 /nfs/dbraw/zinc/30/85/74/342308574.db2.gz NFQUZXGZCGHSAP-JSGCOSHPSA-N 1 0 296.371 1.520 20 5 CDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC(C)(C)C ZINC000075685055 342314694 /nfs/dbraw/zinc/31/46/94/342314694.db2.gz GNVATXKAVRIOLH-LLVKDONJSA-N 1 0 270.333 1.130 20 5 CDBDRO Cc1noc(C[N@H+]2CCC[C@@H]2C[C@H](C)O)c1[N+](=O)[O-] ZINC000595399357 343048450 /nfs/dbraw/zinc/04/84/50/343048450.db2.gz ZOHGPCRRIVFPMH-WCBMZHEXSA-N 1 0 269.301 1.627 20 5 CDBDRO C[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)[N@@H+]1CCCC[C@H]1C ZINC000076744864 342324662 /nfs/dbraw/zinc/32/46/62/342324662.db2.gz LUGOMAJAPDISMB-ZJUUUORDSA-N 1 0 294.359 1.642 20 5 CDBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000078583533 342338519 /nfs/dbraw/zinc/33/85/19/342338519.db2.gz FCFADFWBLNKCAL-LLVKDONJSA-N 1 0 264.329 1.768 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000600966652 342354820 /nfs/dbraw/zinc/35/48/20/342354820.db2.gz RXSIRQIVHPNBFZ-CBAPKCEASA-N 1 0 296.714 1.826 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000595961433 343196769 /nfs/dbraw/zinc/19/67/69/343196769.db2.gz LNPMCEDBBUNVHG-UHFFFAOYSA-N 1 0 299.758 1.986 20 5 CDBDRO CCc1ccc(C(=O)N[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595991795 343212988 /nfs/dbraw/zinc/21/29/88/343212988.db2.gz KUNUXWHSNTVJCJ-CQSZACIVSA-N 1 0 277.324 1.639 20 5 CDBDRO C[C@@]1(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000595992937 343213178 /nfs/dbraw/zinc/21/31/78/343213178.db2.gz UJHWVFFFGDPHSR-CQSZACIVSA-N 1 0 277.324 1.396 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595923124 343192573 /nfs/dbraw/zinc/19/25/73/343192573.db2.gz QHHLERQSIBWFFN-NSHDSACASA-N 1 0 263.297 1.482 20 5 CDBDRO O=c1[nH]ccc(NCC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000596212903 343268234 /nfs/dbraw/zinc/26/82/34/343268234.db2.gz NUZYJPSHIMHRPN-UHFFFAOYSA-N 1 0 292.339 1.982 20 5 CDBDRO C[C@H]1CC[NH2+][C@@H](C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000126643097 187252820 /nfs/dbraw/zinc/25/28/20/187252820.db2.gz RFPPPZSJAKSYIU-WCQYABFASA-N 1 0 291.351 1.941 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000596447838 343323955 /nfs/dbraw/zinc/32/39/55/343323955.db2.gz VPIZEFXSFRMQRJ-VIFPVBQESA-N 1 0 280.328 1.526 20 5 CDBDRO COC[C@](C)(O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000382541793 362163622 /nfs/dbraw/zinc/16/36/22/362163622.db2.gz BDPKVMFWXYHNSU-ZWNOBZJWSA-N 1 0 268.313 1.643 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+]CC2(CO)COC2)cc1[N+](=O)[O-] ZINC000090606385 342396742 /nfs/dbraw/zinc/39/67/42/342396742.db2.gz CUTNESQFINCQQW-LLVKDONJSA-N 1 0 280.324 1.563 20 5 CDBDRO Cc1c(CNC(=O)N[C@@]2(C)CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000597433224 343535502 /nfs/dbraw/zinc/53/55/02/343535502.db2.gz PMFAKAQKWKCRNP-AWEZNQCLSA-N 1 0 292.339 1.454 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC(C[NH+](C)C)C2)c1 ZINC000597707910 343605689 /nfs/dbraw/zinc/60/56/89/343605689.db2.gz JHATXGYEPAZRKH-UHFFFAOYSA-N 1 0 293.323 1.237 20 5 CDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)Cc1ccccc1[N+](=O)[O-])C2 ZINC000598667447 343862660 /nfs/dbraw/zinc/86/26/60/343862660.db2.gz HONVHSLEWNFASN-IUODEOHRSA-N 1 0 289.335 1.477 20 5 CDBDRO Cc1c(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598667452 343862805 /nfs/dbraw/zinc/86/28/05/343862805.db2.gz HSQXQRHUAOAAEJ-ABAIWWIYSA-N 1 0 289.335 1.857 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598668619 343871727 /nfs/dbraw/zinc/87/17/27/343871727.db2.gz BWUGLFPCPYFMLW-IAQYHMDHSA-N 1 0 289.335 1.857 20 5 CDBDRO [NH3+][C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000598916020 343919984 /nfs/dbraw/zinc/91/99/84/343919984.db2.gz SYEDDZPINVIKHH-JTQLQIEISA-N 1 0 282.275 1.593 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCN1CC[C@H](O)C1 ZINC000599093032 343952593 /nfs/dbraw/zinc/95/25/93/343952593.db2.gz MVGYBUJGXXYEMG-FZMZJTMJSA-N 1 0 291.351 1.238 20 5 CDBDRO COc1cc(C[N@H+](C)C[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])cc1F ZINC000599656472 344105362 /nfs/dbraw/zinc/10/53/62/344105362.db2.gz VRBZQWIZWJQTGL-JGZJWPJOSA-N 1 0 298.314 1.945 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+](C2CC2)C2CC2)c1 ZINC000599595185 344088966 /nfs/dbraw/zinc/08/89/66/344088966.db2.gz SVTGQIPVMCXDEQ-AWEZNQCLSA-N 1 0 292.335 1.961 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601557209 344190934 /nfs/dbraw/zinc/19/09/34/344190934.db2.gz NAPHBTGWZBDXSU-WCQYABFASA-N 1 0 289.335 1.809 20 5 CDBDRO CC[NH2+][C@H](C)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000602436898 344415932 /nfs/dbraw/zinc/41/59/32/344415932.db2.gz AFPCDZYWMPXQNC-SNVBAGLBSA-N 1 0 280.328 1.121 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602483540 344448102 /nfs/dbraw/zinc/44/81/02/344448102.db2.gz RXLXLEUMBGQGDF-ZETCQYMHSA-N 1 0 255.249 1.059 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602588485 344478916 /nfs/dbraw/zinc/47/89/16/344478916.db2.gz ALNZNLUWLCXMHZ-TXEJJXNPSA-N 1 0 275.308 1.100 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])n1cc(CC[NH3+])nn1 ZINC000603213721 344744816 /nfs/dbraw/zinc/74/48/16/344744816.db2.gz FOOWXZHQZKYZIK-SECBINFHSA-N 1 0 261.285 1.297 20 5 CDBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000603432942 344803752 /nfs/dbraw/zinc/80/37/52/344803752.db2.gz KVPIDRSJTNJLHZ-RYUDHWBXSA-N 1 0 267.304 1.949 20 5 CDBDRO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cs1 ZINC000344080353 362543054 /nfs/dbraw/zinc/54/30/54/362543054.db2.gz ZBCMXDTUYYBBJA-HBNTYKKESA-N 1 0 268.338 1.859 20 5 CDBDRO COCC[NH+](CCOC)CCOc1ccccc1[N+](=O)[O-] ZINC000051372445 345107355 /nfs/dbraw/zinc/10/73/55/345107355.db2.gz CMABCBBNAROROE-UHFFFAOYSA-N 1 0 298.339 1.568 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000230732952 345440614 /nfs/dbraw/zinc/44/06/14/345440614.db2.gz DTMKLQDGRPSQLO-CYBMUJFWSA-N 1 0 263.297 1.385 20 5 CDBDRO Cc1ccc(N[C@@H](C)CN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000080617552 345618138 /nfs/dbraw/zinc/61/81/38/345618138.db2.gz HLFZHGYEWDDXEX-ZDUSSCGKSA-N 1 0 292.383 1.951 20 5 CDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000609876484 346030060 /nfs/dbraw/zinc/03/00/60/346030060.db2.gz AXOAJQCAODNBSV-JTQLQIEISA-N 1 0 295.343 1.231 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127559407 187316251 /nfs/dbraw/zinc/31/62/51/187316251.db2.gz ZRHVFXJBPCIYLE-LLVKDONJSA-N 1 0 293.323 1.746 20 5 CDBDRO CC[N@@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611092376 346606248 /nfs/dbraw/zinc/60/62/48/346606248.db2.gz RTTQHFVVLXMRKT-ZDUSSCGKSA-N 1 0 293.367 2.000 20 5 CDBDRO Cc1nc(N2CC[C@H](OCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000611132832 346617203 /nfs/dbraw/zinc/61/72/03/346617203.db2.gz UEXUTMDAIMUHSJ-LBPRGKRZSA-N 1 0 294.355 1.455 20 5 CDBDRO C[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000611336965 346751402 /nfs/dbraw/zinc/75/14/02/346751402.db2.gz UNNRTDOLHPCPLL-SLEUVZQESA-N 1 0 293.367 1.965 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccccn1 ZINC000611442797 346788833 /nfs/dbraw/zinc/78/88/33/346788833.db2.gz APBATIDSOVURLW-JTQLQIEISA-N 1 0 275.312 1.846 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N3C[C@H]4C[NH2+]C[C@@H]4C3)c21 ZINC000612438587 347158982 /nfs/dbraw/zinc/15/89/82/347158982.db2.gz DLXTVEZSPUMTAM-NXEZZACHSA-N 1 0 285.307 1.194 20 5 CDBDRO CC(C)(CCC[NH3+])NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000293605576 362781218 /nfs/dbraw/zinc/78/12/18/362781218.db2.gz GKNGBKFLTVFRRU-UHFFFAOYSA-N 1 0 283.303 1.981 20 5 CDBDRO C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293623058 362785896 /nfs/dbraw/zinc/78/58/96/362785896.db2.gz HDIXQUUFGOJFNM-SKDRFNHKSA-N 1 0 292.339 1.496 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2ncn(C[C@H]3CC[NH2+]C3)n2)cc1 ZINC000122452807 347647853 /nfs/dbraw/zinc/64/78/53/347647853.db2.gz LOJMVIYWAYQXSP-JTQLQIEISA-N 1 0 273.296 1.463 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000127121513 348231696 /nfs/dbraw/zinc/23/16/96/348231696.db2.gz DBDPIQLGRZTXNQ-ZWNOBZJWSA-N 1 0 277.324 1.599 20 5 CDBDRO C[C@@]1(CNC(=O)c2cccc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000128905370 187397894 /nfs/dbraw/zinc/39/78/94/187397894.db2.gz NWOQMOJITQBKDG-CQSZACIVSA-N 1 0 277.324 1.714 20 5 CDBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000045913724 348781047 /nfs/dbraw/zinc/78/10/47/348781047.db2.gz WEGYXSSVVWFKKT-UHFFFAOYSA-N 1 0 283.328 1.848 20 5 CDBDRO Cc1n[nH]c(C(=O)NCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000064336905 348938918 /nfs/dbraw/zinc/93/89/18/348938918.db2.gz BMDKGANTWMJUIF-UHFFFAOYSA-N 1 0 295.343 1.088 20 5 CDBDRO CCC(CC)(C[NH2+]CCn1ccc([N+](=O)[O-])n1)C(=O)OC ZINC000120688717 362937766 /nfs/dbraw/zinc/93/77/66/362937766.db2.gz GEUCVCGDKCUWRU-UHFFFAOYSA-N 1 0 298.343 1.360 20 5 CDBDRO C[NH+](C)CCCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000073418094 349163932 /nfs/dbraw/zinc/16/39/32/349163932.db2.gz WWJLAYRHRYYXKW-UHFFFAOYSA-N 1 0 294.355 1.465 20 5 CDBDRO CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2C)C[C@@H]1[NH+](C)C ZINC000271281377 191047819 /nfs/dbraw/zinc/04/78/19/191047819.db2.gz CMWCDWJDISKRGE-RYUDHWBXSA-N 1 0 296.396 1.780 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000105567807 186063450 /nfs/dbraw/zinc/06/34/50/186063450.db2.gz VVEVHCSDVQHDQY-NSHDSACASA-N 1 0 277.324 1.205 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000109849864 186277617 /nfs/dbraw/zinc/27/76/17/186277617.db2.gz YRLUHUKXWIQVOH-JTQLQIEISA-N 1 0 263.297 1.276 20 5 CDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)Nc1cccc([N+](=O)[O-])c1 ZINC000110796619 186325810 /nfs/dbraw/zinc/32/58/10/186325810.db2.gz DXZPAXHLJKLJBU-JTQLQIEISA-N 1 0 278.312 1.716 20 5 CDBDRO COc1cc(N(C)[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000111051930 186348351 /nfs/dbraw/zinc/34/83/51/186348351.db2.gz AWFVKWJRJVPWOG-JTQLQIEISA-N 1 0 251.286 1.402 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000313333640 350833766 /nfs/dbraw/zinc/83/37/66/350833766.db2.gz FMPQTFJEAAOMFF-LBPRGKRZSA-N 1 0 293.323 1.093 20 5 CDBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000619786105 350847992 /nfs/dbraw/zinc/84/79/92/350847992.db2.gz FHPARDDWHXAEGT-SNVBAGLBSA-N 1 0 293.327 1.018 20 5 CDBDRO CCC[C@@H]([NH3+])C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353470899 363039936 /nfs/dbraw/zinc/03/99/36/363039936.db2.gz LLFLZAPSASRRLR-SNVBAGLBSA-N 1 0 281.312 1.347 20 5 CDBDRO CC(C)([NH3+])CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000122269064 187023577 /nfs/dbraw/zinc/02/35/77/187023577.db2.gz ZJDMLUXQTJSENK-VMPITWQZSA-N 1 0 263.297 1.462 20 5 CDBDRO COc1ccc(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1[N+](=O)[O-] ZINC000136483535 363111118 /nfs/dbraw/zinc/11/11/18/363111118.db2.gz SJGUDOMIIUFQTA-SKDRFNHKSA-N 1 0 295.295 1.048 20 5 CDBDRO COc1ccc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000136480010 363112158 /nfs/dbraw/zinc/11/21/58/363112158.db2.gz PAXMOZQUAHBUSQ-ZJUUUORDSA-N 1 0 279.296 1.669 20 5 CDBDRO COc1ccc(C(=O)N[C@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000292075778 198153885 /nfs/dbraw/zinc/15/38/85/198153885.db2.gz LPGRQSXTTOBVRT-SNVBAGLBSA-N 1 0 295.339 1.851 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135238900 187810907 /nfs/dbraw/zinc/81/09/07/187810907.db2.gz FWWFNDITRBZMRO-WCQYABFASA-N 1 0 277.324 1.381 20 5 CDBDRO O=[N+]([O-])c1cccc(C[N@@H+](CCOCCO)C2CC2)c1 ZINC000153330998 188076335 /nfs/dbraw/zinc/07/63/35/188076335.db2.gz LLOCULBBCZHGLK-UHFFFAOYSA-N 1 0 280.324 1.568 20 5 CDBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C)C1 ZINC000153674082 188097094 /nfs/dbraw/zinc/09/70/94/188097094.db2.gz CLPWVGHUSHOSQE-ZDUSSCGKSA-N 1 0 277.324 1.761 20 5 CDBDRO COC[C@H](O)CC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000153721547 188099038 /nfs/dbraw/zinc/09/90/38/188099038.db2.gz VCOHFSKRSIMOHP-LLVKDONJSA-N 1 0 284.312 1.090 20 5 CDBDRO CC[C@H]([NH3+])C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000153824965 188106020 /nfs/dbraw/zinc/10/60/20/188106020.db2.gz DCNYBNAKPUDAKX-JTQLQIEISA-N 1 0 281.268 1.057 20 5 CDBDRO C[N@H+](CCOc1ccccc1)CCn1cc([N+](=O)[O-])cn1 ZINC000157358505 188312025 /nfs/dbraw/zinc/31/20/25/188312025.db2.gz HBUVGQSDFSUDOT-UHFFFAOYSA-N 1 0 290.323 1.802 20 5 CDBDRO C[C@@H](C1CC1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159723917 363231644 /nfs/dbraw/zinc/23/16/44/363231644.db2.gz XBBXHHWBJNTOST-JTQLQIEISA-N 1 0 265.313 1.487 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCN2CC=CCC2)c1 ZINC000279843422 363320816 /nfs/dbraw/zinc/32/08/16/363320816.db2.gz RDVDOHLBYOFBBE-UHFFFAOYSA-N 1 0 261.325 1.946 20 5 CDBDRO CC(C)C[C@@H]([NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000236716318 363393302 /nfs/dbraw/zinc/39/33/02/363393302.db2.gz DIJIWVJSWDXKQX-GFCCVEGCSA-N 1 0 279.340 1.627 20 5 CDBDRO Cc1ccnc(NCC2=CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000271787073 191326156 /nfs/dbraw/zinc/32/61/56/191326156.db2.gz INGHPXYWGYYONM-UHFFFAOYSA-N 1 0 262.313 1.972 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CC[NH2+]C1 ZINC000273006780 192016145 /nfs/dbraw/zinc/01/61/45/192016145.db2.gz IHZSTHQXDNUQAY-SECBINFHSA-N 1 0 297.742 1.516 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000236051862 140238802 /nfs/dbraw/zinc/23/88/02/140238802.db2.gz YRQYJZPANNDPHD-MRVPVSSYSA-N 1 0 272.692 1.044 20 5 CDBDRO CN1CCC[C@H]([N@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000560487340 356970520 /nfs/dbraw/zinc/97/05/20/356970520.db2.gz WTUCGPQQVRZMMI-AWEZNQCLSA-N 1 0 291.351 1.690 20 5 CDBDRO COC(=O)c1cnc(N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000286545110 357020169 /nfs/dbraw/zinc/02/01/69/357020169.db2.gz VWSUHJFZDGWBNX-QMMMGPOBSA-N 1 0 282.300 1.138 20 5 CDBDRO C[NH2+][C@H](C)Cc1noc(COc2ccccc2[N+](=O)[O-])n1 ZINC000261884319 357338705 /nfs/dbraw/zinc/33/87/05/357338705.db2.gz WSZPDOZWMPCZMV-SECBINFHSA-N 1 0 292.295 1.707 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000261973306 357349241 /nfs/dbraw/zinc/34/92/41/357349241.db2.gz NLQZVLPOOIWZOH-GHMZBOCLSA-N 1 0 292.339 1.202 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C(C)C ZINC000566285547 357442163 /nfs/dbraw/zinc/44/21/63/357442163.db2.gz VTSCYSKZNQBMHJ-UHFFFAOYSA-N 1 0 280.328 1.915 20 5 CDBDRO C[C@]1(C(=O)NCc2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000062860692 357499348 /nfs/dbraw/zinc/49/93/48/357499348.db2.gz RUNHKSWGLQAHKM-AWEZNQCLSA-N 1 0 277.324 1.601 20 5 CDBDRO C[NH2+]CCSCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000569337048 357501894 /nfs/dbraw/zinc/50/18/94/357501894.db2.gz ZCUHHSIBQVGMGG-UHFFFAOYSA-N 1 0 299.352 1.495 20 5 CDBDRO Cc1sc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000185099778 357508481 /nfs/dbraw/zinc/50/84/81/357508481.db2.gz YLPWPIPJPAOOSJ-IVZWLZJFSA-N 1 0 295.364 1.774 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000188380396 357887975 /nfs/dbraw/zinc/88/79/75/357887975.db2.gz JRMLDRVGZXTCAM-MRVPVSSYSA-N 1 0 283.715 1.682 20 5 CDBDRO CC[N@@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000286757350 357988052 /nfs/dbraw/zinc/98/80/52/357988052.db2.gz ZCNUQQBGEXWFIH-ZDUSSCGKSA-N 1 0 293.367 2.000 20 5 CDBDRO COCC[N@H+](C)CCCNc1cccc(OC)c1[N+](=O)[O-] ZINC000189431720 358010366 /nfs/dbraw/zinc/01/03/66/358010366.db2.gz YUJZMMGHAZLAEF-UHFFFAOYSA-N 1 0 297.355 1.984 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@H]1NCCc1cccc([N+](=O)[O-])c1 ZINC000423011841 358069057 /nfs/dbraw/zinc/06/90/57/358069057.db2.gz JMEWHZSUOWZDEK-SMDDNHRTSA-N 1 0 263.341 1.725 20 5 CDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[NH+](C)C ZINC000080393482 358096256 /nfs/dbraw/zinc/09/62/56/358096256.db2.gz WIXUPMVRRHJWTR-UHFFFAOYSA-N 1 0 294.355 1.294 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000274418056 358132362 /nfs/dbraw/zinc/13/23/62/358132362.db2.gz KNGIENCOADXIRA-SNVBAGLBSA-N 1 0 292.339 1.272 20 5 CDBDRO C[C@@H](O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192588396 358219996 /nfs/dbraw/zinc/21/99/96/358219996.db2.gz VULJCSLTMYFXLP-NOZJJQNGSA-N 1 0 250.298 1.943 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000361657646 358403242 /nfs/dbraw/zinc/40/32/42/358403242.db2.gz DDOBPDXNGPJMIM-ZYHUDNBSSA-N 1 0 250.298 1.655 20 5 CDBDRO Cc1ccnc(NC[C@@](C)(O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000132983303 358590949 /nfs/dbraw/zinc/59/09/49/358590949.db2.gz CVMVISHSXNUPCJ-GFCCVEGCSA-N 1 0 268.317 1.023 20 5 CDBDRO CC1(C)CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000341596216 358680664 /nfs/dbraw/zinc/68/06/64/358680664.db2.gz DYCNDGCUUFZQJN-UHFFFAOYSA-N 1 0 279.340 1.879 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264895794 358758546 /nfs/dbraw/zinc/75/85/46/358758546.db2.gz KSZFSVVXPHTALS-NSHDSACASA-N 1 0 279.340 1.594 20 5 CDBDRO Cc1cc(C(=O)N[C@@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000264900748 358758980 /nfs/dbraw/zinc/75/89/80/358758980.db2.gz LMAONTXQZRGCQH-NSHDSACASA-N 1 0 279.340 1.973 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000186864097 358833560 /nfs/dbraw/zinc/83/35/60/358833560.db2.gz LTYSHJJWSJXMOG-YUMQZZPRSA-N 1 0 269.326 1.384 20 5 CDBDRO O=C(NCC[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000072906340 358878558 /nfs/dbraw/zinc/87/85/58/358878558.db2.gz MYYYZKNVTBIMGW-UHFFFAOYSA-N 1 0 263.297 1.420 20 5 CDBDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000342206186 358967138 /nfs/dbraw/zinc/96/71/38/358967138.db2.gz PXTHZEUKZUEDLP-RKDXNWHRSA-N 1 0 254.286 1.462 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCN2CCSCC2)cc1 ZINC000230938606 359037146 /nfs/dbraw/zinc/03/71/46/359037146.db2.gz HOINSYYOLAANCH-UHFFFAOYSA-N 1 0 295.408 1.776 20 5 CDBDRO CC[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000105790720 358986228 /nfs/dbraw/zinc/98/62/28/358986228.db2.gz VOFDECWERPDPMP-CHWSQXEVSA-N 1 0 293.367 1.876 20 5 CDBDRO C[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000342516723 359079740 /nfs/dbraw/zinc/07/97/40/359079740.db2.gz WPARQJQGYNCKMY-BXKDBHETSA-N 1 0 292.339 1.080 20 5 CDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CCC[NH2+]C1 ZINC000050162649 359352247 /nfs/dbraw/zinc/35/22/47/359352247.db2.gz OYMILLDUBLJIMP-BDAKNGLRSA-N 1 0 267.285 1.306 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000408343084 359670143 /nfs/dbraw/zinc/67/01/43/359670143.db2.gz NGBNGWMZGNVFHK-GHMZBOCLSA-N 1 0 279.344 1.249 20 5 CDBDRO CNC(=O)c1ccc(N2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000212640219 283475442 /nfs/dbraw/zinc/47/54/42/283475442.db2.gz RBWBLJKTFSJYCP-JTQLQIEISA-N 1 0 292.339 1.130 20 5 CDBDRO CNC(=O)c1ccc(N2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261738275 283480202 /nfs/dbraw/zinc/48/02/02/283480202.db2.gz RVUXETJJLBNIHB-CQSZACIVSA-N 1 0 292.339 1.130 20 5 CDBDRO CCC[NH2+]CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000054264196 360066256 /nfs/dbraw/zinc/06/62/56/360066256.db2.gz HKLZVDQXQQRSEU-UHFFFAOYSA-N 1 0 265.313 1.253 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000176690246 189004836 /nfs/dbraw/zinc/00/48/36/189004836.db2.gz VHRFKCJQSDJSDL-SNVBAGLBSA-N 1 0 292.339 1.201 20 5 CDBDRO COCC[N@@H+]1CC[C@@H](Nc2nccc(C)c2[N+](=O)[O-])C1 ZINC000265174178 360217991 /nfs/dbraw/zinc/21/79/91/360217991.db2.gz HSKLMMBDVPINCX-LLVKDONJSA-N 1 0 280.328 1.431 20 5 CDBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000385839493 360358091 /nfs/dbraw/zinc/35/80/91/360358091.db2.gz VNUSRCLBKBVCGK-ZYHUDNBSSA-N 1 0 250.298 1.798 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000298697736 200508446 /nfs/dbraw/zinc/50/84/46/200508446.db2.gz OEGNILWVFNQOSB-ZJUUUORDSA-N 1 0 265.313 1.770 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+]2C)n1 ZINC000178185661 189096161 /nfs/dbraw/zinc/09/61/61/189096161.db2.gz CYVYLISLSCRHNS-SNVBAGLBSA-N 1 0 250.302 1.804 20 5 CDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[NH2+]1 ZINC000178764267 189144335 /nfs/dbraw/zinc/14/43/35/189144335.db2.gz PBUMPYIEAXNYTF-JTQLQIEISA-N 1 0 295.364 1.555 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@]1(O)CCOC1 ZINC000179024235 189162454 /nfs/dbraw/zinc/16/24/54/189162454.db2.gz QKSUUBRZSXSTHR-LBPRGKRZSA-N 1 0 286.715 1.489 20 5 CDBDRO Cc1nn(C)c(N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000575132448 360878461 /nfs/dbraw/zinc/87/84/61/360878461.db2.gz OUPSHVABFHNCPL-JTQLQIEISA-N 1 0 293.371 1.557 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000572522409 361073379 /nfs/dbraw/zinc/07/33/79/361073379.db2.gz BZGIJFFGIOFIAP-BDAKNGLRSA-N 1 0 296.327 1.851 20 5 CDBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000345509744 361080490 /nfs/dbraw/zinc/08/04/90/361080490.db2.gz VMNGZCOZSBCDCY-LLVKDONJSA-N 1 0 296.371 1.784 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000070076340 361238339 /nfs/dbraw/zinc/23/83/39/361238339.db2.gz LXDMDLMDYUXQPC-PHIMTYICSA-N 1 0 277.324 1.726 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000237325608 361240641 /nfs/dbraw/zinc/24/06/41/361240641.db2.gz RSYWOOHNYBKLJG-JTQLQIEISA-N 1 0 280.328 1.108 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])s1 ZINC000053253760 361403421 /nfs/dbraw/zinc/40/34/21/361403421.db2.gz KGTLSCWFCFOFMQ-SSDOTTSWSA-N 1 0 255.299 1.138 20 5 CDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCC[NH2+]C1CC1 ZINC000238054501 361518755 /nfs/dbraw/zinc/51/87/55/361518755.db2.gz CSLUSXOIOWWVBY-UHFFFAOYSA-N 1 0 292.339 1.265 20 5 CDBDRO COC(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)OC ZINC000365504168 363805560 /nfs/dbraw/zinc/80/55/60/363805560.db2.gz BMIJAGQAOBRWRF-UHFFFAOYSA-N 1 0 284.316 1.047 20 5 CDBDRO CNC(=O)C(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000120113037 363916438 /nfs/dbraw/zinc/91/64/38/363916438.db2.gz DDVPZCBZMLCPQT-UHFFFAOYSA-N 1 0 265.313 1.457 20 5 CDBDRO CC(C)(C[NH3+])C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000581066155 363964254 /nfs/dbraw/zinc/96/42/54/363964254.db2.gz VXTUUKNAKPICMW-UHFFFAOYSA-N 1 0 263.297 1.469 20 5 CDBDRO Cc1cnc(OCCN2CCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000170605614 364235614 /nfs/dbraw/zinc/23/56/14/364235614.db2.gz WIFAJFWLJLFGEH-LLVKDONJSA-N 1 0 281.312 1.398 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000237190955 364260916 /nfs/dbraw/zinc/26/09/16/364260916.db2.gz GFRZVLIXZLAZOP-LLVKDONJSA-N 1 0 279.296 1.071 20 5 CDBDRO C[NH+](C)[C@H]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000170863081 364415739 /nfs/dbraw/zinc/41/57/39/364415739.db2.gz IYMWEFCPKMBCND-UZYOAWRESA-N 1 0 289.335 1.771 20 5 CDBDRO CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000042561214 364598841 /nfs/dbraw/zinc/59/88/41/364598841.db2.gz YYXNPFXCVVDABW-BDAKNGLRSA-N 1 0 251.286 1.380 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000268273658 364605829 /nfs/dbraw/zinc/60/58/29/364605829.db2.gz VTERAJLSAKTZAN-SCZZXKLOSA-N 1 0 279.296 1.400 20 5 CDBDRO C[NH+](C)C1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412226242 240096999 /nfs/dbraw/zinc/09/69/99/240096999.db2.gz GNBHYVQNDLOJLP-UONOGXRCSA-N 1 0 289.335 1.471 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](c3cccnc3)C2)n1 ZINC000564208606 365389963 /nfs/dbraw/zinc/38/99/63/365389963.db2.gz MHMHENREKSMFMY-ZDUSSCGKSA-N 1 0 287.323 1.676 20 5 CDBDRO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCO ZINC000271015697 366954093 /nfs/dbraw/zinc/95/40/93/366954093.db2.gz RCKDYJFYOSSGLY-FNORWQNLSA-N 1 0 250.298 1.922 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C1C[NH2+]C1 ZINC000414650510 241300462 /nfs/dbraw/zinc/30/04/62/241300462.db2.gz AUAKDUDWCFPWKR-UHFFFAOYSA-N 1 0 264.285 1.339 20 5 CDBDRO Cc1ccc(NC(=O)NCC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000414661364 241307788 /nfs/dbraw/zinc/30/77/88/241307788.db2.gz PUVBNDBVPXFXSF-UHFFFAOYSA-N 1 0 264.285 1.244 20 5 CDBDRO C[NH2+]CCCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000414664655 241308969 /nfs/dbraw/zinc/30/89/69/241308969.db2.gz UEAXXIGJFAKHIB-UHFFFAOYSA-N 1 0 266.301 1.634 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000414666490 241311622 /nfs/dbraw/zinc/31/16/22/241311622.db2.gz WPLLMPIQUBCSJW-SNVBAGLBSA-N 1 0 278.312 1.858 20 5 CDBDRO COc1ccc(CNC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000414789840 241387326 /nfs/dbraw/zinc/38/73/26/241387326.db2.gz FWJYYKRWYBGDHL-NSHDSACASA-N 1 0 267.329 1.676 20 5 CDBDRO Cc1c(NC(=O)N2CC[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000414700938 241336319 /nfs/dbraw/zinc/33/63/19/241336319.db2.gz KIDIUONXNWMXFH-VIFPVBQESA-N 1 0 278.312 1.729 20 5 CDBDRO Cc1c(NC(=O)NCC[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000414705995 241340461 /nfs/dbraw/zinc/34/04/61/241340461.db2.gz OCUQHESEXDJLLW-QMMMGPOBSA-N 1 0 266.301 1.762 20 5 CDBDRO C[C@@H](O)[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000386961184 367154333 /nfs/dbraw/zinc/15/43/33/367154333.db2.gz YZKRSPJXOHAWNZ-NXEZZACHSA-N 1 0 254.286 1.333 20 5 CDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[NH2+]1 ZINC000417223524 242366659 /nfs/dbraw/zinc/36/66/59/242366659.db2.gz HAPBWKWJMURQBK-LBPRGKRZSA-N 1 0 292.339 1.189 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000272312640 367676386 /nfs/dbraw/zinc/67/63/86/367676386.db2.gz SBNALNQRDAPMIN-NXEZZACHSA-N 1 0 293.323 1.413 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000161263263 368084850 /nfs/dbraw/zinc/08/48/50/368084850.db2.gz QRBOIODFPBIBQG-STQMWFEESA-N 1 0 291.351 1.914 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000418619811 243284111 /nfs/dbraw/zinc/28/41/11/243284111.db2.gz PJCRCRQDBWFXQY-VIFPVBQESA-N 1 0 266.301 1.083 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000139516426 368623630 /nfs/dbraw/zinc/62/36/30/368623630.db2.gz LBDCBGFNPGWIRY-GFCCVEGCSA-N 1 0 292.339 1.488 20 5 CDBDRO C[C@H]1[C@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000420613694 244280632 /nfs/dbraw/zinc/28/06/32/244280632.db2.gz SMELXBACSPNITA-GXSJLCMTSA-N 1 0 292.339 1.588 20 5 CDBDRO C[C@@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000420638319 244302791 /nfs/dbraw/zinc/30/27/91/244302791.db2.gz OPVDOSAOYNOQMP-VIFPVBQESA-N 1 0 280.328 1.303 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000168695541 370969114 /nfs/dbraw/zinc/96/91/14/370969114.db2.gz QCBOIIQZPQZROQ-PWSUYJOCSA-N 1 0 277.324 1.713 20 5 CDBDRO COc1cc(CN2CC[N@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000330925299 203393850 /nfs/dbraw/zinc/39/38/50/203393850.db2.gz GZGZAFSEKMYEHE-SNVBAGLBSA-N 1 0 297.330 1.878 20 5 CDBDRO COC(=O)c1cnc(NC[C@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000276587723 193391034 /nfs/dbraw/zinc/39/10/34/193391034.db2.gz PPAQUIZQHRTHNI-QMMMGPOBSA-N 1 0 282.300 1.138 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000295318437 369941915 /nfs/dbraw/zinc/94/19/15/369941915.db2.gz WPBGVPJFJCPGJX-JTQLQIEISA-N 1 0 292.339 1.636 20 5 CDBDRO O=C(N[C@H]1CC[NH2+]C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269133654 284205087 /nfs/dbraw/zinc/20/50/87/284205087.db2.gz NXLAABSWGOUMSM-VIFPVBQESA-N 1 0 275.264 1.433 20 5 CDBDRO Cc1c(NC(=O)[C@@H](C)[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000295718988 370589577 /nfs/dbraw/zinc/58/95/77/370589577.db2.gz NJKAJCUUGJMYBC-SECBINFHSA-N 1 0 263.297 1.982 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000422864363 245350203 /nfs/dbraw/zinc/35/02/03/245350203.db2.gz UUVUCEQWXPKYBA-LBPRGKRZSA-N 1 0 277.324 1.679 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000275048513 372305713 /nfs/dbraw/zinc/30/57/13/372305713.db2.gz UTLNYEQJJXPROS-NSHDSACASA-N 1 0 292.339 1.976 20 5 CDBDRO CC[N@H+](CC(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266423277 372781163 /nfs/dbraw/zinc/78/11/63/372781163.db2.gz JGVONIMNNCPCAG-LBPRGKRZSA-N 1 0 270.333 1.130 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[NH+](C)C ZINC000298426428 373599688 /nfs/dbraw/zinc/59/96/88/373599688.db2.gz XNZSKQJUPZGTIY-JTQLQIEISA-N 1 0 280.328 1.975 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417765961 374253475 /nfs/dbraw/zinc/25/34/75/374253475.db2.gz OYZLIJGFZJVRLV-JTQLQIEISA-N 1 0 280.328 1.126 20 5 CDBDRO C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[NH2+]1 ZINC000420201747 374292274 /nfs/dbraw/zinc/29/22/74/374292274.db2.gz NICLACVXLHXWGC-SECBINFHSA-N 1 0 289.295 1.443 20 5 CDBDRO C[N@H+](CCn1cccn1)Cc1cccc([N+](=O)[O-])c1 ZINC000066421205 374325757 /nfs/dbraw/zinc/32/57/57/374325757.db2.gz SYRBTKSOOWYFQN-UHFFFAOYSA-N 1 0 260.297 1.923 20 5 CDBDRO O=[N+]([O-])c1cc(CN(C2CC2)[C@H]2CC[NH2+]C2)cs1 ZINC000347131348 374352983 /nfs/dbraw/zinc/35/29/83/374352983.db2.gz QRVQFJOPLUSTGR-NSHDSACASA-N 1 0 267.354 1.983 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCn2cccn2)c1 ZINC000067186391 374398134 /nfs/dbraw/zinc/39/81/34/374398134.db2.gz LWSMLSNPBQAZJX-UHFFFAOYSA-N 1 0 260.297 1.971 20 5 CDBDRO CCCc1n[nH]c(C(=O)N2CCC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000371208092 374412644 /nfs/dbraw/zinc/41/26/44/374412644.db2.gz NKUVGEWRPFMIEA-UHFFFAOYSA-N 1 0 295.343 1.048 20 5 CDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCCC1 ZINC000117333270 374533831 /nfs/dbraw/zinc/53/38/31/374533831.db2.gz UUOHOJBLIJNVSV-UHFFFAOYSA-N 1 0 291.307 1.989 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)[C@@]2(F)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000376694460 374565752 /nfs/dbraw/zinc/56/57/52/374565752.db2.gz HNANICHNXRXGGD-QMTHXVAHSA-N 1 0 295.314 1.782 20 5 CDBDRO Cn1cc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000069786623 374615424 /nfs/dbraw/zinc/61/54/24/374615424.db2.gz CGRAPYGKZYTVIZ-UHFFFAOYSA-N 1 0 260.297 1.661 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NCCCN1CCNC(=O)C1 ZINC000278277176 374836111 /nfs/dbraw/zinc/83/61/11/374836111.db2.gz BHWAWPAXEXHRGB-UHFFFAOYSA-N 1 0 292.339 1.137 20 5 CDBDRO COC[C@@H](CO)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000279650460 374941382 /nfs/dbraw/zinc/94/13/82/374941382.db2.gz DYIBTDOYVVQHCK-DGCLKSJQSA-N 1 0 282.340 1.513 20 5 CDBDRO C[C@]1(C(N)=O)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000280827803 375025835 /nfs/dbraw/zinc/02/58/35/375025835.db2.gz VRDJPPLFOCSONF-AWEZNQCLSA-N 1 0 293.323 1.171 20 5 CDBDRO Cc1nnc(CN(C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000282564215 375095088 /nfs/dbraw/zinc/09/50/88/375095088.db2.gz YTQYMLRWVBVMGH-UHFFFAOYSA-N 1 0 276.296 1.961 20 5 CDBDRO CN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCN(C)C1=O ZINC000283025283 375108577 /nfs/dbraw/zinc/10/85/77/375108577.db2.gz HDKSMFAEKSCBPB-GFCCVEGCSA-N 1 0 281.287 1.396 20 5 CDBDRO Cc1cc(C(=O)N[C@@H](C)CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000299342394 375164729 /nfs/dbraw/zinc/16/47/29/375164729.db2.gz RJUGZBIXIHNHKH-NSHDSACASA-N 1 0 279.340 1.973 20 5 CDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000131289810 375215310 /nfs/dbraw/zinc/21/53/10/375215310.db2.gz PSIIFFDXCVATOY-UHFFFAOYSA-N 1 0 253.302 1.487 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000131576158 375291210 /nfs/dbraw/zinc/29/12/10/375291210.db2.gz PXTJVIOTSMQCNR-DGCLKSJQSA-N 1 0 263.341 1.806 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351754317 375327481 /nfs/dbraw/zinc/32/74/81/375327481.db2.gz IYBIOVLIWMKDDY-UWVGGRQHSA-N 1 0 293.323 1.413 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[NH2+]CC1 ZINC000226458794 375344137 /nfs/dbraw/zinc/34/41/37/375344137.db2.gz JSAXSZMDNFIMIG-JTQLQIEISA-N 1 0 278.312 1.858 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2C2CCC2)c1 ZINC000304287126 375425164 /nfs/dbraw/zinc/42/51/64/375425164.db2.gz AZIRIETYXCBWPB-KGLIPLIRSA-N 1 0 294.355 1.417 20 5 CDBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000304283263 375425225 /nfs/dbraw/zinc/42/52/25/375425225.db2.gz FEHBYNBHBDLMEG-CYBMUJFWSA-N 1 0 282.344 1.417 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](CO)C2CC2)c1 ZINC000353075410 375574827 /nfs/dbraw/zinc/57/48/27/375574827.db2.gz XNWPXHDVHHTVOH-GFCCVEGCSA-N 1 0 250.298 1.703 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)CC(F)F)cc1 ZINC000428637580 247339152 /nfs/dbraw/zinc/33/91/52/247339152.db2.gz DENPREHMEJUGJE-SECBINFHSA-N 1 0 260.240 1.701 20 5 CDBDRO C[C@@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000358258329 375959847 /nfs/dbraw/zinc/95/98/47/375959847.db2.gz SXUXUVWNEVBUHP-BXUZGUMPSA-N 1 0 279.340 1.312 20 5 CDBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000358340742 375962038 /nfs/dbraw/zinc/96/20/38/375962038.db2.gz HASBDBXPTOHSRX-VIFPVBQESA-N 1 0 283.303 1.343 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000134164284 375927049 /nfs/dbraw/zinc/92/70/49/375927049.db2.gz DXSCJRICRCVPQL-IUCAKERBSA-N 1 0 251.286 1.194 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+]2C)c1 ZINC000194687705 375949394 /nfs/dbraw/zinc/94/93/94/375949394.db2.gz SUTMVOUHDQBXAA-SNVBAGLBSA-N 1 0 293.323 1.427 20 5 CDBDRO C[N@@H+]1CC[C@](O)(CNC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000358114228 375952076 /nfs/dbraw/zinc/95/20/76/375952076.db2.gz FVCPUXXGOYWNHZ-DRDHIDPGSA-N 1 0 291.351 1.264 20 5 CDBDRO COc1ccc(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000487034743 376569445 /nfs/dbraw/zinc/56/94/45/376569445.db2.gz FJOYSEMZAVEERQ-KOLCDFICSA-N 1 0 293.323 1.740 20 5 CDBDRO Cc1nc(N2CC[NH+](C(C)C)CC2)ncc1[N+](=O)[O-] ZINC000296621278 376590478 /nfs/dbraw/zinc/59/04/78/376590478.db2.gz UWRRQHGKMXCPET-UHFFFAOYSA-N 1 0 265.317 1.224 20 5 CDBDRO C[C@H]1[NH2+]CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@H]1C ZINC000436058438 248219195 /nfs/dbraw/zinc/21/91/95/248219195.db2.gz KXPQOYGMSMFRDT-ZJUUUORDSA-N 1 0 267.304 1.916 20 5 CDBDRO CCc1n[nH]c(C(=O)NC[C@H](C)[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000171808598 377055308 /nfs/dbraw/zinc/05/53/08/377055308.db2.gz ZGVHFWGUFRDTKX-QMMMGPOBSA-N 1 0 295.343 1.093 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC2)c1 ZINC000172259021 377396328 /nfs/dbraw/zinc/39/63/28/377396328.db2.gz UGSXIWBULSHRBU-NSHDSACASA-N 1 0 252.270 1.040 20 5 CDBDRO COC[C@H](O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000129581561 378175985 /nfs/dbraw/zinc/17/59/85/378175985.db2.gz CHXSZWCIOBGMRY-KGLIPLIRSA-N 1 0 294.351 1.513 20 5 CDBDRO Cc1n[nH]cc1CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446831725 250317567 /nfs/dbraw/zinc/31/75/67/250317567.db2.gz HVLDXJYADUTDJF-UHFFFAOYSA-N 1 0 286.295 1.792 20 5 CDBDRO CC[C@@H](CO)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447601669 250393512 /nfs/dbraw/zinc/39/35/12/250393512.db2.gz QSEPNSDMVGDGND-SRVKXCTJSA-N 1 0 282.344 1.636 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000041028056 379245620 /nfs/dbraw/zinc/24/56/20/379245620.db2.gz LTZFGKOCRUFKQG-MRVPVSSYSA-N 1 0 255.299 1.220 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000041028539 379246278 /nfs/dbraw/zinc/24/62/78/379246278.db2.gz WHOPKIZETFPLJJ-VIFPVBQESA-N 1 0 283.715 1.812 20 5 CDBDRO CCC[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000246650040 379624309 /nfs/dbraw/zinc/62/43/09/379624309.db2.gz VEQCZQZQOLQFJT-TZMCWYRMSA-N 1 0 296.371 1.664 20 5 CDBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(=O)NC ZINC000449773501 251012592 /nfs/dbraw/zinc/01/25/92/251012592.db2.gz KDZUXPLHNHIHMJ-LLVKDONJSA-N 1 0 265.313 1.517 20 5 CDBDRO Cc1nc(NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000450255453 251195021 /nfs/dbraw/zinc/19/50/21/251195021.db2.gz BSWNSRWFUSUOTQ-WDEREUQCSA-N 1 0 293.371 1.790 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000420257316 291825995 /nfs/dbraw/zinc/82/59/95/291825995.db2.gz JWUSUKGEXNDASW-VXGBXAGGSA-N 1 0 276.340 1.652 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493200130 253398286 /nfs/dbraw/zinc/39/82/86/253398286.db2.gz OFSRCPAMJUJQFU-GFVADAIESA-N 1 0 263.297 1.319 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCCO)n1 ZINC000494481233 253629373 /nfs/dbraw/zinc/62/93/73/253629373.db2.gz FCDHITKDBJEZHM-VXGBXAGGSA-N 1 0 282.344 1.637 20 5 CDBDRO COC[C@@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000234891048 285223451 /nfs/dbraw/zinc/22/34/51/285223451.db2.gz OPFHISBCUSNENY-GXSJLCMTSA-N 1 0 254.286 1.253 20 5 CDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000288244393 197035492 /nfs/dbraw/zinc/03/54/92/197035492.db2.gz FUXRWRLMZZMEHS-QWRGUYRKSA-N 1 0 292.339 1.622 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC000153329900 533213048 /nfs/dbraw/zinc/21/30/48/533213048.db2.gz CCNKJWGUQYHDQY-AOOOYVTPSA-N 1 0 293.323 1.426 20 5 CDBDRO CC1(C)CN(c2ncnc3sc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000261621565 390477913 /nfs/dbraw/zinc/47/79/13/390477913.db2.gz AFOLTRTWORNVKK-UHFFFAOYSA-N 1 0 293.352 1.788 20 5 CDBDRO COc1cccc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1[N+](=O)[O-] ZINC000517234586 390968673 /nfs/dbraw/zinc/96/86/73/390968673.db2.gz LLJGDWNQAXDMAH-KOLCDFICSA-N 1 0 293.323 1.413 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[NH+](C)C ZINC000346179276 391055367 /nfs/dbraw/zinc/05/53/67/391055367.db2.gz AUVOHINUDJPXSD-SNVBAGLBSA-N 1 0 295.339 1.673 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@@H]2C[NH+](C)C[C@H]2C1 ZINC000357695425 391087146 /nfs/dbraw/zinc/08/71/46/391087146.db2.gz YJNUMJKTXCPFOO-RYUDHWBXSA-N 1 0 261.325 1.901 20 5 CDBDRO COC[C@@H](O)CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413151829 391166250 /nfs/dbraw/zinc/16/62/50/391166250.db2.gz XVNVIZXKPXBOJV-NSHDSACASA-N 1 0 277.280 1.562 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000408067111 391230164 /nfs/dbraw/zinc/23/01/64/391230164.db2.gz AVYDIAQGSGRFCO-MNOVXSKESA-N 1 0 277.324 1.759 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000268204359 391295938 /nfs/dbraw/zinc/29/59/38/391295938.db2.gz JLDXIYSPELGGQX-LDYMZIIASA-N 1 0 295.364 1.869 20 5 CDBDRO Cc1cc(NC(=O)N2CC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000415417468 391407973 /nfs/dbraw/zinc/40/79/73/391407973.db2.gz MMFGRNOVHLCAKB-SECBINFHSA-N 1 0 264.285 1.468 20 5 CDBDRO C[C@H]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000415387066 391396774 /nfs/dbraw/zinc/39/67/74/391396774.db2.gz QHZURADXIANROY-ONGXEEELSA-N 1 0 293.327 1.003 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415627907 391469690 /nfs/dbraw/zinc/46/96/90/391469690.db2.gz DCLXJCAWLYGVRI-QPUJVOFHSA-N 1 0 296.302 1.853 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C1C[NH2+]C1 ZINC000415755452 391471501 /nfs/dbraw/zinc/47/15/01/391471501.db2.gz DASJIROGUIJVSA-UHFFFAOYSA-N 1 0 278.312 1.593 20 5 CDBDRO CC[NH2+]CCCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000521045009 391482726 /nfs/dbraw/zinc/48/27/26/391482726.db2.gz FNDJSRKEKLEOMU-UHFFFAOYSA-N 1 0 297.380 1.803 20 5 CDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[NH2+]1 ZINC000567904400 391547231 /nfs/dbraw/zinc/54/72/31/391547231.db2.gz HTGLXOSXRPAJCN-CYBMUJFWSA-N 1 0 293.323 1.232 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186739230 391578439 /nfs/dbraw/zinc/57/84/39/391578439.db2.gz DPDMENXHYROZDA-UHFFFAOYSA-N 1 0 277.324 1.761 20 5 CDBDRO CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1C[NH2+]C1 ZINC000357049398 391936751 /nfs/dbraw/zinc/93/67/51/391936751.db2.gz KXOANWHHCCODCT-UHFFFAOYSA-N 1 0 287.266 1.600 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1(CO)CCC1 ZINC000184357761 391931539 /nfs/dbraw/zinc/93/15/39/391931539.db2.gz RPJUZOHJAZYNKB-UHFFFAOYSA-N 1 0 250.298 1.847 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCCC[NH3+])c1 ZINC000237189486 131011449 /nfs/dbraw/zinc/01/14/49/131011449.db2.gz UPRSRNUQXISOKY-UHFFFAOYSA-N 1 0 267.285 1.072 20 5 CDBDRO [NH3+]C1(CNC(=O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000237841381 131059805 /nfs/dbraw/zinc/05/98/05/131059805.db2.gz UXVKKBQWSBKDTL-UHFFFAOYSA-N 1 0 277.324 1.986 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000237950608 131068114 /nfs/dbraw/zinc/06/81/14/131068114.db2.gz BQICJHHYZSKRQW-NSHDSACASA-N 1 0 295.364 1.637 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000238068384 131075372 /nfs/dbraw/zinc/07/53/72/131075372.db2.gz CQVVMWATLAPMIO-MNOVXSKESA-N 1 0 293.323 1.217 20 5 CDBDRO COC(=O)[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000251555336 131129487 /nfs/dbraw/zinc/12/94/87/131129487.db2.gz BKUUQOWLHVNJRN-ZWNOBZJWSA-N 1 0 278.308 1.836 20 5 CDBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000251862559 131131985 /nfs/dbraw/zinc/13/19/85/131131985.db2.gz SQBXHMRZEKZBIC-ZYHUDNBSSA-N 1 0 278.308 1.836 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261607426 131156211 /nfs/dbraw/zinc/15/62/11/131156211.db2.gz DGXGRDFPULNRDK-CHWSQXEVSA-N 1 0 289.335 1.348 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1[N+](=O)[O-] ZINC000261702268 131163034 /nfs/dbraw/zinc/16/30/34/131163034.db2.gz OIEXKKSJVQOZRJ-WCQYABFASA-N 1 0 289.335 1.727 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000261704509 131164012 /nfs/dbraw/zinc/16/40/12/131164012.db2.gz IPJKBKVVBHKAHA-GXTWGEPZSA-N 1 0 291.351 1.771 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000261768242 131167565 /nfs/dbraw/zinc/16/75/65/131167565.db2.gz VPISRVNCOMFZNB-OLZOCXBDSA-N 1 0 289.335 1.727 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261806096 131169978 /nfs/dbraw/zinc/16/99/78/131169978.db2.gz ZHAPZFGPRKOEFF-TVQRCGJNSA-N 1 0 293.298 1.558 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC1CC[NH2+]CC1 ZINC000262508869 131227658 /nfs/dbraw/zinc/22/76/58/131227658.db2.gz MAPXAQRWCSYNID-UHFFFAOYSA-N 1 0 277.324 1.396 20 5 CDBDRO Nc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000262604215 131239866 /nfs/dbraw/zinc/23/98/66/131239866.db2.gz ARASBPXHWNPLKY-MWLCHTKSSA-N 1 0 278.312 1.034 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000262906811 131272251 /nfs/dbraw/zinc/27/22/51/131272251.db2.gz YCZMVOOBOROQFH-ZWNOBZJWSA-N 1 0 293.323 1.088 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CC[NH2+]1 ZINC000262904767 131272589 /nfs/dbraw/zinc/27/25/89/131272589.db2.gz QAEDVNVXMULQCM-DTWKUNHWSA-N 1 0 278.312 1.047 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000523676186 392891171 /nfs/dbraw/zinc/89/11/71/392891171.db2.gz PVNNGFRHCZRUHF-GFCCVEGCSA-N 1 0 263.297 1.305 20 5 CDBDRO [NH3+][C@@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000420145710 392900384 /nfs/dbraw/zinc/90/03/84/392900384.db2.gz OWZKUOVKLTZGLK-SECBINFHSA-N 1 0 258.281 1.680 20 5 CDBDRO [NH3+]C1(CNc2nc3ccccc3cc2[N+](=O)[O-])CCC1 ZINC000420230519 392908377 /nfs/dbraw/zinc/90/83/77/392908377.db2.gz QCGMLYAYTOLOHT-UHFFFAOYSA-N 1 0 272.308 1.858 20 5 CDBDRO Cc1nc(N[C@H](C)CCCC[NH3+])ncc1[N+](=O)[O-] ZINC000420254566 392915259 /nfs/dbraw/zinc/91/52/59/392915259.db2.gz DLLCOSSCACPRCY-MRVPVSSYSA-N 1 0 253.306 1.623 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000417854908 392874584 /nfs/dbraw/zinc/87/45/84/392874584.db2.gz QOEYJVVMAGFDAH-GXSJLCMTSA-N 1 0 294.355 1.858 20 5 CDBDRO CCC[NH2+]CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418225984 392879428 /nfs/dbraw/zinc/87/94/28/392879428.db2.gz AOTBBALPXINNRG-NSHDSACASA-N 1 0 294.355 1.955 20 5 CDBDRO [NH3+]C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000313349730 392944318 /nfs/dbraw/zinc/94/43/18/392944318.db2.gz IVASPURSFPKYOW-LBPRGKRZSA-N 1 0 299.758 1.798 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)[NH3+] ZINC000422786596 392956735 /nfs/dbraw/zinc/95/67/35/392956735.db2.gz STJKCGBXHUFJML-SNVBAGLBSA-N 1 0 265.313 1.679 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CC[NH2+]CC1 ZINC000422688342 392957378 /nfs/dbraw/zinc/95/73/78/392957378.db2.gz CTGREXKRLJRKMG-UHFFFAOYSA-N 1 0 277.324 1.693 20 5 CDBDRO Cc1c(CC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000423575830 392964743 /nfs/dbraw/zinc/96/47/43/392964743.db2.gz YZVWXIKAAMMYGP-ZWNOBZJWSA-N 1 0 291.351 1.560 20 5 CDBDRO COC[C@@](C)(O)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000527039385 392974095 /nfs/dbraw/zinc/97/40/95/392974095.db2.gz OZYDEVJAAYYPHJ-XCHKQJEOSA-N 1 0 294.351 1.985 20 5 CDBDRO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1O ZINC000430197948 393091262 /nfs/dbraw/zinc/09/12/62/393091262.db2.gz XEPYNUHOLTUSLR-GWCFXTLKSA-N 1 0 280.324 1.806 20 5 CDBDRO C[NH2+][C@@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000430619561 393103127 /nfs/dbraw/zinc/10/31/27/393103127.db2.gz GJRBDSIOJDHVOT-ZYHUDNBSSA-N 1 0 292.339 1.216 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]1CCO ZINC000426263004 393039770 /nfs/dbraw/zinc/03/97/70/393039770.db2.gz HUFFECOUGCHYAH-LBPRGKRZSA-N 1 0 280.324 1.820 20 5 CDBDRO C[N@@H+]1CC[C@H](C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000530987601 393057094 /nfs/dbraw/zinc/05/70/94/393057094.db2.gz FZKNQLVSYLFTGQ-NSHDSACASA-N 1 0 291.351 1.898 20 5 CDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000531567963 393063386 /nfs/dbraw/zinc/06/33/86/393063386.db2.gz OOYVYJPYXSPKSH-JTQLQIEISA-N 1 0 295.314 1.806 20 5 CDBDRO COCC[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000282085381 393171689 /nfs/dbraw/zinc/17/16/89/393171689.db2.gz CEMYQWLGAMMDNL-SNVBAGLBSA-N 1 0 288.731 1.735 20 5 CDBDRO COC[C@H](CCO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447541592 393115633 /nfs/dbraw/zinc/11/56/33/393115633.db2.gz MZXFBXVYMXGTCF-SWLSCSKDSA-N 1 0 294.351 1.959 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC(=O)NC1 ZINC000449134154 393128949 /nfs/dbraw/zinc/12/89/49/393128949.db2.gz HFJWZMYBZHLZSU-PWSUYJOCSA-N 1 0 277.324 1.394 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CN(C)CCO1 ZINC000449135886 393129174 /nfs/dbraw/zinc/12/91/74/393129174.db2.gz SEOPDBAKDSSYBE-TZMCWYRMSA-N 1 0 293.367 1.446 20 5 CDBDRO COc1nccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])n1 ZINC000449166826 393131920 /nfs/dbraw/zinc/13/19/20/393131920.db2.gz GJEIIOOQIDPTAA-UHFFFAOYSA-N 1 0 288.307 1.726 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449638242 393137084 /nfs/dbraw/zinc/13/70/84/393137084.db2.gz JUQFOYICYCROLG-DGCLKSJQSA-N 1 0 291.351 1.771 20 5 CDBDRO CN(C(=O)COc1ccccc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000449663968 393137194 /nfs/dbraw/zinc/13/71/94/393137194.db2.gz AYAGHDPWJIEAGS-UHFFFAOYSA-N 1 0 293.323 1.313 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000193485290 140145802 /nfs/dbraw/zinc/14/58/02/140145802.db2.gz OUWAPWDYGNNCNM-ONGXEEELSA-N 1 0 292.339 1.356 20 5 CDBDRO CNC(=O)c1ccc(N[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000213346646 140161205 /nfs/dbraw/zinc/16/12/05/140161205.db2.gz SDACFFMRBUIYDY-JTQLQIEISA-N 1 0 278.312 1.118 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000216133514 140162442 /nfs/dbraw/zinc/16/24/42/140162442.db2.gz LBHRMRPXZCMMIX-NXEZZACHSA-N 1 0 278.312 1.796 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235722081 140237780 /nfs/dbraw/zinc/23/77/80/140237780.db2.gz QURAXTKGVMRJLR-GZMMTYOYSA-N 1 0 281.287 1.604 20 5 CDBDRO [NH3+][C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000236297180 140240182 /nfs/dbraw/zinc/24/01/82/140240182.db2.gz URQYODJTKSOZCP-VIFPVBQESA-N 1 0 256.693 1.792 20 5 CDBDRO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000237054442 140250628 /nfs/dbraw/zinc/25/06/28/140250628.db2.gz RXUVXBGLXIZDDD-IINYFYTJSA-N 1 0 291.351 1.853 20 5 CDBDRO O=[N+]([O-])c1ccccc1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252666949 140321438 /nfs/dbraw/zinc/32/14/38/140321438.db2.gz DFQYHFAXGACCSP-NWDGAFQWSA-N 1 0 277.324 1.870 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCC[NH2+]1 ZINC000261570917 140351156 /nfs/dbraw/zinc/35/11/56/140351156.db2.gz KSOTUJYHRVHMQL-VIFPVBQESA-N 1 0 253.306 1.284 20 5 CDBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000261580419 140354415 /nfs/dbraw/zinc/35/44/15/140354415.db2.gz QBHICZXLZUQDHF-SECBINFHSA-N 1 0 253.277 1.528 20 5 CDBDRO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261589416 140357707 /nfs/dbraw/zinc/35/77/07/140357707.db2.gz KQWMOJDRMIHNHC-SKDRFNHKSA-N 1 0 263.297 1.085 20 5 CDBDRO C[C@]1(C[NH3+])CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000261625321 140366018 /nfs/dbraw/zinc/36/60/18/140366018.db2.gz AQVZYFLIDCCHHF-CYBMUJFWSA-N 1 0 281.287 1.545 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261743407 140384079 /nfs/dbraw/zinc/38/40/79/140384079.db2.gz SJXZGGNRHZQNBB-GHMZBOCLSA-N 1 0 290.323 1.668 20 5 CDBDRO C[C@]1(C[NH3+])CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261770300 140386750 /nfs/dbraw/zinc/38/67/50/140386750.db2.gz VYEZZQQAWMHFGA-CQSZACIVSA-N 1 0 292.339 1.204 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000261785839 140389468 /nfs/dbraw/zinc/38/94/68/140389468.db2.gz XICWYGKPXORGFU-JIMOISOXSA-N 1 0 290.323 1.796 20 5 CDBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1[N+](=O)[O-] ZINC000135219701 397910001 /nfs/dbraw/zinc/91/00/01/397910001.db2.gz AGOWILVVKCWGNU-ZACCUICWSA-N 1 0 293.298 1.747 20 5 CDBDRO CC(C)(C)C[N@H+](CCCO)CCn1ccc([N+](=O)[O-])n1 ZINC000176236039 148031129 /nfs/dbraw/zinc/03/11/29/148031129.db2.gz KZBQEJCWOUXOAC-UHFFFAOYSA-N 1 0 284.360 1.522 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193654739 148633375 /nfs/dbraw/zinc/63/33/75/148633375.db2.gz YGYTYBVYMDKVFT-BXKDBHETSA-N 1 0 293.323 1.474 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+](C)C ZINC000248141595 148845425 /nfs/dbraw/zinc/84/54/25/148845425.db2.gz QFYLWMMCNJNNGO-UHFFFAOYSA-N 1 0 281.312 1.285 20 5 CDBDRO O=C(NCC1C[NH2+]C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000261940564 148989449 /nfs/dbraw/zinc/98/94/49/148989449.db2.gz NECYDDSIILFATP-UHFFFAOYSA-N 1 0 269.688 1.197 20 5 CDBDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000310908968 149204666 /nfs/dbraw/zinc/20/46/66/149204666.db2.gz DPMGEIGTZSXKHF-SSDOTTSWSA-N 1 0 255.249 1.087 20 5 CDBDRO CO[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)[C@H](C[NH3+])C1 ZINC000346814358 153309699 /nfs/dbraw/zinc/30/96/99/153309699.db2.gz AUJNUBFXAQRZHH-GJZGRUSLSA-N 1 0 293.367 1.841 20 5 CDBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000349243388 154073075 /nfs/dbraw/zinc/07/30/75/154073075.db2.gz BWETXKMRWGIZLX-UWVGGRQHSA-N 1 0 295.339 1.908 20 5 CDBDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@H](CO)O2)cc1[N+](=O)[O-] ZINC000353702653 156024689 /nfs/dbraw/zinc/02/46/89/156024689.db2.gz JYTBYIAQYDHDBA-NWDGAFQWSA-N 1 0 296.323 1.233 20 5 CDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000354005539 156220495 /nfs/dbraw/zinc/22/04/95/156220495.db2.gz HHOFLKYARVMKBX-VIFPVBQESA-N 1 0 266.301 1.089 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000358947273 158079783 /nfs/dbraw/zinc/07/97/83/158079783.db2.gz SKYAHDKCNHJISG-LLVKDONJSA-N 1 0 293.367 1.987 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1CO ZINC000362072888 159059699 /nfs/dbraw/zinc/05/96/99/159059699.db2.gz RLEQBYDWBUMLFS-NXEZZACHSA-N 1 0 268.288 1.794 20 5 CDBDRO CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+]1C ZINC000362996018 159286174 /nfs/dbraw/zinc/28/61/74/159286174.db2.gz GXQLDSVVXKAJPX-LBPRGKRZSA-N 1 0 280.328 1.335 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(C3CC3)CC2)c1 ZINC000368326956 159627447 /nfs/dbraw/zinc/62/74/47/159627447.db2.gz DYAPLMSLGUPZRU-AWEZNQCLSA-N 1 0 294.355 1.274 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368382833 159638303 /nfs/dbraw/zinc/63/83/03/159638303.db2.gz AUCJZQZNYNWSGP-LBPRGKRZSA-N 1 0 290.323 1.049 20 5 CDBDRO CN1CCO[C@@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000284869554 196147284 /nfs/dbraw/zinc/14/72/84/196147284.db2.gz SKRIDBIUIAFQTD-LSDHHAIUSA-N 1 0 291.351 1.500 20 5 CDBDRO CN1CCO[C@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000284869543 196147581 /nfs/dbraw/zinc/14/75/81/196147581.db2.gz SKRIDBIUIAFQTD-GJZGRUSLSA-N 1 0 291.351 1.500 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000037285964 173092560 /nfs/dbraw/zinc/09/25/60/173092560.db2.gz KGCZPKYULLKOHH-UHFFFAOYSA-N 1 0 283.303 1.806 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCC[C@H]2CCO)c1 ZINC000286121626 196503223 /nfs/dbraw/zinc/50/32/23/196503223.db2.gz MFELCNLFSKZQIL-TUKIKUTGSA-N 1 0 294.351 1.769 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000040593851 174348294 /nfs/dbraw/zinc/34/82/94/174348294.db2.gz WLEASBMOSLHAOL-LLVKDONJSA-N 1 0 277.324 1.666 20 5 CDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000040676220 174373689 /nfs/dbraw/zinc/37/36/89/174373689.db2.gz KXQXJWWMVOURBS-LBPRGKRZSA-N 1 0 263.297 1.006 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040740881 174390959 /nfs/dbraw/zinc/39/09/59/174390959.db2.gz XAOFEOBFFSUADS-FOSCPWQOSA-N 1 0 290.323 1.999 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH3+])CC1 ZINC000044512466 175188368 /nfs/dbraw/zinc/18/83/68/175188368.db2.gz MDXONHSEKNKRPW-UHFFFAOYSA-N 1 0 277.324 1.714 20 5 CDBDRO [NH3+]C[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000044528750 175193673 /nfs/dbraw/zinc/19/36/73/175193673.db2.gz DJSUBOHACWPMHC-SNVBAGLBSA-N 1 0 278.312 1.797 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000049558831 175488085 /nfs/dbraw/zinc/48/80/85/175488085.db2.gz KBXKVNNPRNKOGE-VIFPVBQESA-N 1 0 283.303 1.804 20 5 CDBDRO CC(C)(CNC(=O)c1cc([N+](=O)[O-])n[nH]1)C[NH+]1CCCC1 ZINC000286407642 196593142 /nfs/dbraw/zinc/59/31/42/196593142.db2.gz FFVWPZMFENHPML-UHFFFAOYSA-N 1 0 295.343 1.170 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000071143116 176040694 /nfs/dbraw/zinc/04/06/94/176040694.db2.gz QBPYPLPVRUSWLZ-JTQLQIEISA-N 1 0 263.297 1.276 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[NH2+]C1 ZINC000071397176 176150847 /nfs/dbraw/zinc/15/08/47/176150847.db2.gz CQMPYGPIRHNASX-LLVKDONJSA-N 1 0 263.297 1.006 20 5 CDBDRO Cc1nn(C)c(NC[C@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000072274827 176356021 /nfs/dbraw/zinc/35/60/21/176356021.db2.gz HNZNDCCXAWOGBO-SNVBAGLBSA-N 1 0 293.327 1.945 20 5 CDBDRO CC[C@@H]([NH2+]CCN1CCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000289912302 270318931 /nfs/dbraw/zinc/31/89/31/270318931.db2.gz NLXODOKBCAEFEZ-CYBMUJFWSA-N 1 0 292.339 1.661 20 5 CDBDRO C[NH+](C)C1(CNCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000397778397 270351030 /nfs/dbraw/zinc/35/10/30/270351030.db2.gz OAYVXVSGYRVUBI-UHFFFAOYSA-N 1 0 267.304 1.918 20 5 CDBDRO CC(C)([NH3+])CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352350735 273505720 /nfs/dbraw/zinc/50/57/20/273505720.db2.gz PWEPEBUOJBQPAI-UHFFFAOYSA-N 1 0 260.297 1.714 20 5 CDBDRO C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2F)[C@H](C[NH3+])C1 ZINC000420256066 274564033 /nfs/dbraw/zinc/56/40/33/274564033.db2.gz GRTJOHLNASWCGG-IUCAKERBSA-N 1 0 268.292 1.693 20 5 CDBDRO C[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[NH2+]1 ZINC000420201748 274597656 /nfs/dbraw/zinc/59/76/56/274597656.db2.gz NICLACVXLHXWGC-VIFPVBQESA-N 1 0 289.295 1.443 20 5 CDBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC000034938080 275012250 /nfs/dbraw/zinc/01/22/50/275012250.db2.gz PSLRMXKVTKLUHD-UHFFFAOYSA-N 1 0 283.715 1.684 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000347242193 276104233 /nfs/dbraw/zinc/10/42/33/276104233.db2.gz DSWPQBYTDFXNDB-SNVBAGLBSA-N 1 0 282.344 1.393 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492073914 276785995 /nfs/dbraw/zinc/78/59/95/276785995.db2.gz XFQUZUUGBCEOFF-FPLPWBNLSA-N 1 0 277.324 1.628 20 5 CDBDRO C[NH2+]CC1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000070496635 277021154 /nfs/dbraw/zinc/02/11/54/277021154.db2.gz GEJBRNFCSRTTGK-UHFFFAOYSA-N 1 0 264.329 1.734 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000237087369 277276781 /nfs/dbraw/zinc/27/67/81/277276781.db2.gz AMUORKVWDPSHAI-NSHDSACASA-N 1 0 292.339 1.217 20 5 CDBDRO C[C@H](CN)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423327038 278184448 /nfs/dbraw/zinc/18/44/48/278184448.db2.gz NHIWLSXCJXKUGN-OUAUKWLOSA-N 1 0 267.333 1.212 20 5 CDBDRO C[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccc([N+](=O)[O-])cc1 ZINC000453418672 278265598 /nfs/dbraw/zinc/26/55/98/278265598.db2.gz YQIRXOGIQVWHKN-HZMBPMFUSA-N 1 0 277.324 1.914 20 5 CDBDRO C[C@@H](O)CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450570520 278391967 /nfs/dbraw/zinc/39/19/67/278391967.db2.gz PFQWZQOHYJRNQK-GHMZBOCLSA-N 1 0 280.328 1.247 20 5 CDBDRO C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000420367236 278773827 /nfs/dbraw/zinc/77/38/27/278773827.db2.gz JUEPCFOTFQJTAV-LDYMZIIASA-N 1 0 253.277 1.513 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000277656038 278840232 /nfs/dbraw/zinc/84/02/32/278840232.db2.gz SXSDVYVCMUDJDZ-KCJUWKMLSA-N 1 0 297.742 1.976 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000261592802 279158703 /nfs/dbraw/zinc/15/87/03/279158703.db2.gz YRRRUBBXJWHYIB-LBPRGKRZSA-N 1 0 253.277 1.909 20 5 CDBDRO C[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000451103349 279470340 /nfs/dbraw/zinc/47/03/40/279470340.db2.gz NEJRZSQNRPEVAZ-OLZOCXBDSA-N 1 0 293.367 1.966 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CCC(=O)NC1)c1ccc([N+](=O)[O-])cc1 ZINC000111015469 279503516 /nfs/dbraw/zinc/50/35/16/279503516.db2.gz IEWKTEFDDQFKSC-GXSJLCMTSA-N 1 0 263.297 1.524 20 5 CDBDRO C[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000361969170 279534620 /nfs/dbraw/zinc/53/46/20/279534620.db2.gz ABQKZQLXQDZRMG-GWCFXTLKSA-N 1 0 277.324 1.866 20 5 CDBDRO C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@H](C[NH3+])C1 ZINC000261648939 279712197 /nfs/dbraw/zinc/71/21/97/279712197.db2.gz BFJCEHMVFJLMIF-UWVGGRQHSA-N 1 0 292.339 1.376 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000189322728 280045270 /nfs/dbraw/zinc/04/52/70/280045270.db2.gz DNOPBOQVKDRHLT-SKDRFNHKSA-N 1 0 299.352 1.014 20 5 CDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]1 ZINC000211394869 280085779 /nfs/dbraw/zinc/08/57/79/280085779.db2.gz WIGSSPXQRIRTQJ-KRZKBDHCSA-N 1 0 275.308 1.476 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000237365922 280172906 /nfs/dbraw/zinc/17/29/06/280172906.db2.gz OFSRCPAMJUJQFU-FGEFZZPRSA-N 1 0 263.297 1.319 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@H]1C[NH3+] ZINC000237716784 280185449 /nfs/dbraw/zinc/18/54/49/280185449.db2.gz VSFPVOHQFLWRAG-CABZTGNLSA-N 1 0 292.339 1.376 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(=O)n1CCC1CC[NH2+]CC1 ZINC000514932455 280860913 /nfs/dbraw/zinc/86/09/13/280860913.db2.gz WQVKLGSJYMEFCG-UHFFFAOYSA-N 1 0 265.313 1.455 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000519810893 281040855 /nfs/dbraw/zinc/04/08/55/281040855.db2.gz QHJWCWHCYCSCCJ-UHFFFAOYSA-N 1 0 266.301 1.131 20 5 CDBDRO Cc1cccc(C(=O)N2CCC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000098069791 281189952 /nfs/dbraw/zinc/18/99/52/281189952.db2.gz CJCKQHWZVYWQED-UHFFFAOYSA-N 1 0 277.324 1.681 20 5 CDBDRO Cc1cnc(N2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000266240405 281610330 /nfs/dbraw/zinc/61/03/30/281610330.db2.gz WRGAOMCIZFHWAG-LLVKDONJSA-N 1 0 264.329 1.686 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000070174847 289780330 /nfs/dbraw/zinc/78/03/30/289780330.db2.gz QNOKQAQDTDEABK-VHSXEESVSA-N 1 0 250.302 1.553 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000567915734 293907162 /nfs/dbraw/zinc/90/71/62/293907162.db2.gz KPMORLDZCOOMQB-BDAKNGLRSA-N 1 0 278.312 1.047 20 5 CDBDRO C[C@H](C[C@H](C)O)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570332248 294217817 /nfs/dbraw/zinc/21/78/17/294217817.db2.gz LUMSHPCXPDPRJW-GRYCIOLGSA-N 1 0 298.339 1.084 20 5 CDBDRO C[NH2+][C@@H](C)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000571775829 294504190 /nfs/dbraw/zinc/50/41/90/294504190.db2.gz JROBUOACFQNNEK-NSHDSACASA-N 1 0 294.355 1.429 20 5 CDBDRO C[NH2+]CCS[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000573485478 294827598 /nfs/dbraw/zinc/82/75/98/294827598.db2.gz NJRDYXTYGGNHDD-VIFPVBQESA-N 1 0 283.353 1.874 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH2+]C(C)C)c1 ZINC000566199788 316512650 /nfs/dbraw/zinc/51/26/50/316512650.db2.gz UMMJOVVBZFGGEQ-UHFFFAOYSA-N 1 0 295.339 1.721 20 5 CDBDRO COC[C@H](O)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575881615 317034104 /nfs/dbraw/zinc/03/41/04/317034104.db2.gz XFHRNXOXWFLUJJ-MFKMUULPSA-N 1 0 280.324 1.569 20 5 CDBDRO CN(C[C@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000576148992 317085601 /nfs/dbraw/zinc/08/56/01/317085601.db2.gz CZZYKDDSSXFNFC-OAHLLOKOSA-N 1 0 293.367 1.182 20 5 CDBDRO Cc1nn(CCC(=O)N[C@@H](C)CCC[NH3+])c(C)c1[N+](=O)[O-] ZINC000578191971 317487534 /nfs/dbraw/zinc/48/75/34/317487534.db2.gz VHCMQSDLRYESAN-VIFPVBQESA-N 1 0 297.359 1.042 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000381469430 323628031 /nfs/dbraw/zinc/62/80/31/323628031.db2.gz KWIUHWHAIIGPJK-UIRLJRQTSA-N 1 0 289.335 1.865 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CC12CC2 ZINC000579345011 324160498 /nfs/dbraw/zinc/16/04/98/324160498.db2.gz SPSDUABIVZVHSR-NWDGAFQWSA-N 1 0 292.335 1.724 20 5 CDBDRO Cc1ccnc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000579674461 324248244 /nfs/dbraw/zinc/24/82/44/324248244.db2.gz LPSPGKHYTSWYGO-MNOVXSKESA-N 1 0 262.313 1.439 20 5 CDBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000579952514 324324844 /nfs/dbraw/zinc/32/48/44/324324844.db2.gz FNBGEOMDUSDKBG-QWRGUYRKSA-N 1 0 295.339 1.672 20 5 CDBDRO O=C1CCCN1CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582072965 324899055 /nfs/dbraw/zinc/89/90/55/324899055.db2.gz ODGGIXDJGLCPEK-ZDUSSCGKSA-N 1 0 289.335 1.794 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1F ZINC000582661420 325018633 /nfs/dbraw/zinc/01/86/33/325018633.db2.gz ZBXSISHQJAUSOK-GRYCIOLGSA-N 1 0 298.314 1.815 20 5 CDBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H](C)C1 ZINC000582988578 325084375 /nfs/dbraw/zinc/08/43/75/325084375.db2.gz ILKSXCIJRVGLOB-GHMZBOCLSA-N 1 0 294.355 1.488 20 5 CDBDRO O=c1c(Cl)cc([N+](=O)[O-])cn1CC1CC[NH2+]CC1 ZINC000583932793 325269632 /nfs/dbraw/zinc/26/96/32/325269632.db2.gz KNGXGSQVTAWHDK-UHFFFAOYSA-N 1 0 271.704 1.410 20 5 CDBDRO CCC(CC)(C[NH3+])NC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000583988885 325280168 /nfs/dbraw/zinc/28/01/68/325280168.db2.gz ASKRUOSYPNZENM-UHFFFAOYSA-N 1 0 295.339 1.851 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCCC1 ZINC000054132787 1159923778 /nfs/dbraw/zinc/92/37/78/1159923778.db2.gz XTSNMYIQWIIFCQ-UHFFFAOYSA-N 1 0 278.312 1.003 20 5 CDBDRO N=C(Nc1ncc2cccc([N+](=O)[O-])c2n1)SCC[NH3+] ZINC001167912139 1159943596 /nfs/dbraw/zinc/94/35/96/1159943596.db2.gz BCLHVFFWESCDNP-UHFFFAOYSA-N 1 0 292.324 1.577 20 5 CDBDRO CC[C@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251665134 1160570755 /nfs/dbraw/zinc/57/07/55/1160570755.db2.gz HFSSUBQSFVYZDP-NWDGAFQWSA-N 1 0 281.360 1.159 20 5 CDBDRO CC(C)(NC(=O)CCC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000236653549 519303544 /nfs/dbraw/zinc/30/35/44/519303544.db2.gz WEWCJLJEIDQSCF-UHFFFAOYSA-N 1 0 265.313 1.685 20 5 CDBDRO O=C(NC[C@@H]1CCCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC001122304591 1161134712 /nfs/dbraw/zinc/13/47/12/1161134712.db2.gz MTFPPWZVYNIYNR-LBPRGKRZSA-N 1 0 277.324 1.857 20 5 CDBDRO O=C(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168966588 1161995715 /nfs/dbraw/zinc/99/57/15/1161995715.db2.gz JPJNNALBVSIREE-AAEUAGOBSA-N 1 0 262.309 1.904 20 5 CDBDRO CC(C)(C)[C@H]([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943174 518960189 /nfs/dbraw/zinc/96/01/89/518960189.db2.gz NIZOMGYNQVNSGL-LLVKDONJSA-N 1 0 265.313 1.584 20 5 CDBDRO CCC[N@H+](C)CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000340348324 521485719 /nfs/dbraw/zinc/48/57/19/521485719.db2.gz PZWQMMGGAPOIMP-UHFFFAOYSA-N 1 0 291.311 1.751 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183626158 523801358 /nfs/dbraw/zinc/80/13/58/523801358.db2.gz YVXKAAZYWAKXLV-UHFFFAOYSA-N 1 0 279.300 1.159 20 5 CDBDRO CNC(=O)[C@@H](C)C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000081554084 524080518 /nfs/dbraw/zinc/08/05/18/524080518.db2.gz XXYKKXNXOVLBGM-NSHDSACASA-N 1 0 295.339 1.288 20 5 CDBDRO C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000225205420 524172111 /nfs/dbraw/zinc/17/21/11/524172111.db2.gz LXQYKEYXOVMVFO-RAIGVLPGSA-N 1 0 282.344 1.321 20 5 CDBDRO C[C@H](CNc1ccc([N+](=O)[O-])cn1)[N@H+](C)C1CC1 ZINC000068913110 524507271 /nfs/dbraw/zinc/50/72/71/524507271.db2.gz NICHPBQNUWMFIJ-SECBINFHSA-N 1 0 250.302 1.884 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCCCO)C2)nc1 ZINC000304334381 534882623 /nfs/dbraw/zinc/88/26/23/534882623.db2.gz WKEVTAJCAFPFMV-LLVKDONJSA-N 1 0 280.328 1.249 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417141698 536451614 /nfs/dbraw/zinc/45/16/14/536451614.db2.gz RTOOOULPGVQPOX-GHMZBOCLSA-N 1 0 294.355 1.811 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1OC[C@@H]1CC[NH2+]C1)OCCO2 ZINC000051889215 527341782 /nfs/dbraw/zinc/34/17/82/527341782.db2.gz OAHHHKKAVNTKFA-SECBINFHSA-N 1 0 280.280 1.354 20 5 CDBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C1CCS(=O)(=O)CC1 ZINC000062726313 527399038 /nfs/dbraw/zinc/39/90/38/527399038.db2.gz BLRKSXZGSNCTMS-UHFFFAOYSA-N 1 0 298.364 1.304 20 5 CDBDRO CC(C)[C@@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423833735 535206687 /nfs/dbraw/zinc/20/66/87/535206687.db2.gz BLAOOCAKWQVPIN-LLVKDONJSA-N 1 0 285.731 1.848 20 5 CDBDRO CCc1nn(C)c(NC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000091560902 536182018 /nfs/dbraw/zinc/18/20/18/536182018.db2.gz TWISGOLKTJNPLO-MRVPVSSYSA-N 1 0 253.306 1.055 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000261582525 536342460 /nfs/dbraw/zinc/34/24/60/536342460.db2.gz RHJHWFAMTORCGR-ZETCQYMHSA-N 1 0 255.249 1.072 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000261733887 536400669 /nfs/dbraw/zinc/40/06/69/536400669.db2.gz LWPCSTAVAWLZHH-MRVPVSSYSA-N 1 0 283.353 1.654 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000261591066 536400697 /nfs/dbraw/zinc/40/06/97/536400697.db2.gz XLQINOSXBCPZHN-SECBINFHSA-N 1 0 251.286 1.241 20 5 CDBDRO COC[C@@H](CCO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000219129643 536609635 /nfs/dbraw/zinc/60/96/35/536609635.db2.gz ZIOAMVKJDIBCFT-GFCCVEGCSA-N 1 0 268.313 1.390 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CC[C@@H](C)[NH3+] ZINC000434687558 536952143 /nfs/dbraw/zinc/95/21/43/536952143.db2.gz DSZLQYWZVOAHDT-SECBINFHSA-N 1 0 281.312 1.347 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC(OC)C1 ZINC000221107509 536955589 /nfs/dbraw/zinc/95/55/89/536955589.db2.gz OKUMZFJQOHMKAX-UHFFFAOYSA-N 1 0 266.297 1.870 20 5 CDBDRO CCCNC(=O)[C@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000105874304 1174708693 /nfs/dbraw/zinc/70/86/93/1174708693.db2.gz UPDIOMXNZFWKPX-GWCFXTLKSA-N 1 0 295.339 1.133 20 5 CDBDRO CCn1cc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000732569794 575091690 /nfs/dbraw/zinc/09/16/90/575091690.db2.gz OBOSYBSEOHUNHT-CQSZACIVSA-N 1 0 290.323 1.634 20 5 CDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000733167660 575102839 /nfs/dbraw/zinc/10/28/39/575102839.db2.gz YDEKJHHPBZCKMW-ZDUSSCGKSA-N 1 0 279.340 1.911 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000766184447 576084351 /nfs/dbraw/zinc/08/43/51/576084351.db2.gz PIPQNKCOZMHWRC-QMTHXVAHSA-N 1 0 290.323 1.713 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(CCO)CC2)c1 ZINC000750067755 576974745 /nfs/dbraw/zinc/97/47/45/576974745.db2.gz RIDJSYKRKGZREE-OAHLLOKOSA-N 1 0 294.351 1.723 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NCC(C)(C)C[NH+](C)C ZINC000891441803 617395673 /nfs/dbraw/zinc/39/56/73/617395673.db2.gz XRMPVHMAXBVULN-UHFFFAOYSA-N 1 0 282.344 1.998 20 5 CDBDRO Cc1c(Cc2noc(C[C@H](C)[NH3+])n2)cccc1[N+](=O)[O-] ZINC000843191335 617687944 /nfs/dbraw/zinc/68/79/44/617687944.db2.gz DSKICNXNVCFGQQ-QMMMGPOBSA-N 1 0 276.296 1.767 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000894357591 618817957 /nfs/dbraw/zinc/81/79/57/618817957.db2.gz YLRVPILOCCLCII-NXEZZACHSA-N 1 0 267.333 1.469 20 5 CDBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1c([N+](=O)[O-])cnn1C ZINC000894574268 618970531 /nfs/dbraw/zinc/97/05/31/618970531.db2.gz COVSWWJRWTZYTA-NSHDSACASA-N 1 0 281.360 1.861 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1COCO1 ZINC000894870168 619111395 /nfs/dbraw/zinc/11/13/95/619111395.db2.gz IVRGPCUVPKBDNN-PYEVWLCESA-N 1 0 264.281 1.571 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2CC3(C2)OCCO3)cc1 ZINC000896909103 620298993 /nfs/dbraw/zinc/29/89/93/620298993.db2.gz PUNNKQSTZJGOKT-UHFFFAOYSA-N 1 0 292.335 1.880 20 5 CDBDRO CN(C)[C@@H](C[NH2+]CC[N+](=O)[O-])c1cccc(F)c1 ZINC000899858721 622485430 /nfs/dbraw/zinc/48/54/30/622485430.db2.gz ACQCNXVAOQSWSC-LBPRGKRZSA-N 1 0 255.293 1.295 20 5 CDBDRO Cc1cc(N2CC[C@@H](C[NH3+])[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000900384746 622964621 /nfs/dbraw/zinc/96/46/21/622964621.db2.gz UIRLDHUJCGICPM-QWRGUYRKSA-N 1 0 264.329 1.719 20 5 CDBDRO O=C1CCCN1Cc1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905058953 626608939 /nfs/dbraw/zinc/60/89/39/626608939.db2.gz LBOQHICAKBMRJM-UHFFFAOYSA-N 1 0 277.324 1.175 20 5 CDBDRO CN(CCC[NH2+]CC[N+](=O)[O-])c1ccccc1F ZINC000905060050 626609911 /nfs/dbraw/zinc/60/99/11/626609911.db2.gz RYSWPBUYHQVOKX-UHFFFAOYSA-N 1 0 255.293 1.518 20 5 CDBDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905228080 626684108 /nfs/dbraw/zinc/68/41/08/626684108.db2.gz FXAPQZBLNHYOQY-MNOVXSKESA-N 1 0 287.360 1.689 20 5 CDBDRO C[NH+](C)CCOc1ccc(NCC[N+](=O)[O-])cc1F ZINC000905337396 626773892 /nfs/dbraw/zinc/77/38/92/626773892.db2.gz DMQFTBUVBKKBFE-UHFFFAOYSA-N 1 0 271.292 1.455 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CNC1CC([NH3+])C1 ZINC000906510751 627298608 /nfs/dbraw/zinc/29/86/08/627298608.db2.gz UXJVWEOJYFIREG-UHFFFAOYSA-N 1 0 265.313 1.573 20 5 CDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000915627903 631776474 /nfs/dbraw/zinc/77/64/74/631776474.db2.gz WFCVGCQAANHQKA-ZDUSSCGKSA-N 1 0 279.340 1.911 20 5 CDBDRO CC[C@@H](CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000916570420 632017338 /nfs/dbraw/zinc/01/73/38/632017338.db2.gz CCMHJLHDGMOYNV-JTQLQIEISA-N 1 0 281.312 1.202 20 5 CDBDRO COC(=O)c1cnc(N2CCC[C@@H]([NH3+])[C@@H]2C)c([N+](=O)[O-])c1 ZINC001157742442 1162378353 /nfs/dbraw/zinc/37/83/53/1162378353.db2.gz QANVYFGJLDUBPC-WCBMZHEXSA-N 1 0 294.311 1.092 20 5 CDBDRO CC(C)N(c1nc(Cl)ncc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC001158021745 1162681273 /nfs/dbraw/zinc/68/12/73/1162681273.db2.gz KKAABZCFCACAGG-QMMMGPOBSA-N 1 0 285.735 1.615 20 5 CDBDRO CC(C)N(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC001158026398 1162687293 /nfs/dbraw/zinc/68/72/93/1162687293.db2.gz WMJZDERGEJUXFG-VIFPVBQESA-N 1 0 295.299 1.475 20 5 CDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cn1nccc1[N+](=O)[O-] ZINC000808191079 1162818868 /nfs/dbraw/zinc/81/88/68/1162818868.db2.gz KDUQQSSFFRSLQU-RYUDHWBXSA-N 1 0 279.344 1.307 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(-n2ccc([C@H](C)[NH3+])n2)n1 ZINC001158349992 1162906388 /nfs/dbraw/zinc/90/63/88/1162906388.db2.gz GHUYKXDXMAIRCM-VIFPVBQESA-N 1 0 261.285 1.812 20 5 CDBDRO Cc1cccc(N[C@H](C)[C@@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001170567746 1162949772 /nfs/dbraw/zinc/94/97/72/1162949772.db2.gz LTWPKYOQMQRNED-PWSUYJOCSA-N 1 0 265.313 1.692 20 5 CDBDRO COc1ccc(-n2cc3c(n2)CC[C@H]([NH3+])C3)nc1[N+](=O)[O-] ZINC001168809818 1161988861 /nfs/dbraw/zinc/98/88/61/1161988861.db2.gz VUQIZPFDZZDFRA-VIFPVBQESA-N 1 0 289.295 1.000 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H]2COc3ccccc3O2)C1 ZINC001168966583 1161995547 /nfs/dbraw/zinc/99/55/47/1161995547.db2.gz JOGVXOUUCTYKEN-UPJWGTAASA-N 1 0 292.335 1.861 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(CO)cc2)C1 ZINC001168998069 1161996681 /nfs/dbraw/zinc/99/66/81/1161996681.db2.gz HXEFBGBTJOOVIA-HUUCEWRRSA-N 1 0 278.352 1.756 20 5 CDBDRO CN(CC[N+](=O)[O-])Cc1ccc(OC(F)F)cc1 ZINC000791053789 1162187719 /nfs/dbraw/zinc/18/77/19/1162187719.db2.gz PKJUFJJJMOGOND-UHFFFAOYSA-N 1 0 260.240 1.997 20 5 CDBDRO NC(=[NH2+])c1nccn1-c1nccc2cc([N+](=O)[O-])ccc21 ZINC001157629573 1162245967 /nfs/dbraw/zinc/24/59/67/1162245967.db2.gz VCIJZZFTZXKZMT-UHFFFAOYSA-N 1 0 282.263 1.613 20 5 CDBDRO CN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC001159054856 1164038670 /nfs/dbraw/zinc/03/86/70/1164038670.db2.gz UFMYLPSOMAYPJQ-UHFFFAOYSA-N 1 0 274.708 1.055 20 5 CDBDRO C[C@H](CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-])[NH+](C)C ZINC000869244754 1165038445 /nfs/dbraw/zinc/03/84/45/1165038445.db2.gz WOOOALRVZBPVMX-SNVBAGLBSA-N 1 0 297.330 1.733 20 5 CDBDRO C[C@@H]1C[C@@H]1CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870865644 1165224187 /nfs/dbraw/zinc/22/41/87/1165224187.db2.gz AURGIUIJBLTOLF-RULNRJAQSA-N 1 0 277.324 1.541 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000053297681 1166852153 /nfs/dbraw/zinc/85/21/53/1166852153.db2.gz MJXLUOTZMTZZLL-LLVKDONJSA-N 1 0 250.302 1.886 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001155402339 1167157346 /nfs/dbraw/zinc/15/73/46/1167157346.db2.gz KLGMJIFAGQIAKR-CMPLNLGQSA-N 1 0 293.283 1.595 20 5 CDBDRO CCN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000058234057 1167220273 /nfs/dbraw/zinc/22/02/73/1167220273.db2.gz HYHKTMOXPLOZRC-LBPRGKRZSA-N 1 0 277.324 1.348 20 5 CDBDRO Cc1cnc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001155617083 1167259704 /nfs/dbraw/zinc/25/97/04/1167259704.db2.gz GSJDADIIKWBJMB-BXUZGUMPSA-N 1 0 292.339 1.621 20 5 CDBDRO C[C@@]1(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC001573622346 1170711395 /nfs/dbraw/zinc/71/13/95/1170711395.db2.gz NEVGXVJLRUODQZ-GFCCVEGCSA-N 1 0 299.277 1.555 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H]1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC001579454626 1172183421 /nfs/dbraw/zinc/18/34/21/1172183421.db2.gz PKRVPQMQMVIOQJ-BDAKNGLRSA-N 1 0 289.291 1.046 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001579776409 1172259350 /nfs/dbraw/zinc/25/93/50/1172259350.db2.gz QIEIUUPPUFWYRH-NEPJUHHUSA-N 1 0 289.335 1.585 20 5 CDBDRO O=C(NC[C@H]1CCCCC[NH2+]1)c1ccc([N+](=O)[O-])cn1 ZINC001580647160 1172497001 /nfs/dbraw/zinc/49/70/01/1172497001.db2.gz CZXPCZLSQWVWGI-SNVBAGLBSA-N 1 0 278.312 1.252 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000154628310 1178147040 /nfs/dbraw/zinc/14/70/40/1178147040.db2.gz XAGAAXQFHYTWGY-MRVPVSSYSA-N 1 0 296.283 1.088 20 5 CDBDRO C[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000235639767 1178239456 /nfs/dbraw/zinc/23/94/56/1178239456.db2.gz NDQQHVLTWFUCJO-IONNQARKSA-N 1 0 283.715 1.667 20 5 CDBDRO COc1cnc(N2C[C@H](C)[N@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001164631839 719191328 /nfs/dbraw/zinc/19/13/28/719191328.db2.gz CMNLFPRZJSEXPP-VHSXEESVSA-N 1 0 280.328 1.527 20 5 CDBDRO C[NH+](C)CC1CCN(c2cc([N+](=O)[O-])ccn2)CC1 ZINC001165041844 721942574 /nfs/dbraw/zinc/94/25/74/721942574.db2.gz GMKZXQWEZWVCQU-UHFFFAOYSA-N 1 0 264.329 1.768 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)nc(NC[C@@]23C[NH2+][C@@H](CO2)C3)c1 ZINC001155537403 1167219918 /nfs/dbraw/zinc/21/99/18/1167219918.db2.gz KAUNHQSGVFXYRN-RDDDGLTNSA-N 1 0 284.703 1.186 20 5 CDBDRO COC(=O)C1C[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173221897 912306131 /nfs/dbraw/zinc/30/61/31/912306131.db2.gz NDQPYFXKRSTIAQ-SNVBAGLBSA-N 1 0 278.308 1.631 20 5 CDBDRO CCC[N@H+](C)C[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001120821950 912566399 /nfs/dbraw/zinc/56/63/99/912566399.db2.gz LEOLPTHQSUFKTH-NSHDSACASA-N 1 0 293.371 1.740 20 5 CDBDRO COc1ccc(CO[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001217859975 897941789 /nfs/dbraw/zinc/94/17/89/897941789.db2.gz KMUZLCNIIRSMGA-GFCCVEGCSA-N 1 0 266.297 1.872 20 5 CDBDRO C[C@@H]1COC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000692682818 899851947 /nfs/dbraw/zinc/85/19/47/899851947.db2.gz ZZVRQUHHFOAJPW-LDYMZIIASA-N 1 0 254.261 1.858 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](Oc2cc[n+]([O-])cc2[N+](=O)[O-])C1 ZINC001229451473 908159504 /nfs/dbraw/zinc/15/95/04/908159504.db2.gz GBSZOHBVNSQTEG-SNVBAGLBSA-N 1 0 267.285 1.091 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCCN(C3COC3)C2)nc1 ZINC001168366745 909886329 /nfs/dbraw/zinc/88/63/29/909886329.db2.gz FGDRKIYRLXGLNN-SNVBAGLBSA-N 1 0 278.312 1.265 20 5 CDBDRO [NH3+]CCCCCCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000698084983 911014883 /nfs/dbraw/zinc/01/48/83/911014883.db2.gz HAURZBQJNAZVMF-UHFFFAOYSA-N 1 0 254.290 1.172 20 5 CDBDRO CC(C)OCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001124424779 917348278 /nfs/dbraw/zinc/34/82/78/917348278.db2.gz AMBSLYJCHOPMSZ-UHFFFAOYSA-N 1 0 295.339 1.226 20 5 CDBDRO CC(C)(CO)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843106608 919595639 /nfs/dbraw/zinc/59/56/39/919595639.db2.gz MYHSKSVNBKIRRY-CYBMUJFWSA-N 1 0 282.340 1.626 20 5 CDBDRO COc1ncnc(NCc2ccccc2C[NH3+])c1[N+](=O)[O-] ZINC000094739918 919707192 /nfs/dbraw/zinc/70/71/92/919707192.db2.gz ALOXCHZBAJPUPC-UHFFFAOYSA-N 1 0 289.295 1.464 20 5 CDBDRO COC(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000689583636 936771012 /nfs/dbraw/zinc/77/10/12/936771012.db2.gz CUZBKHXJJAKRAU-UHFFFAOYSA-N 1 0 267.285 1.383 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1cc([N+](=O)[O-])c2nccn2c1 ZINC001163776472 924187909 /nfs/dbraw/zinc/18/79/09/924187909.db2.gz AXZOMCMCDPJIDG-VIFPVBQESA-N 1 0 263.301 1.605 20 5 CDBDRO COc1cnc(N(C)CC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001165140537 924982683 /nfs/dbraw/zinc/98/26/83/924982683.db2.gz OTNSNZVIMQBRMN-UHFFFAOYSA-N 1 0 280.328 1.530 20 5 CDBDRO COc1cc(C)nc(N[C@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001154984046 926295674 /nfs/dbraw/zinc/29/56/74/926295674.db2.gz DHYUNYMYVRVZCH-ZJUUUORDSA-N 1 0 280.328 1.989 20 5 CDBDRO CON(C)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000850479808 927436616 /nfs/dbraw/zinc/43/66/16/927436616.db2.gz ZWEIDKGPNTXLJZ-AWEZNQCLSA-N 1 0 293.367 1.999 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1-n1cc2c(n1)CC[C@H]([NH3+])C2 ZINC001168803156 927456929 /nfs/dbraw/zinc/45/69/29/927456929.db2.gz JAEYSACNGHMCNY-VIFPVBQESA-N 1 0 289.295 1.000 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C23CCC(O)(CC2)CC3)C1 ZINC001168976281 927562838 /nfs/dbraw/zinc/56/28/38/927562838.db2.gz CHMYFFSAURJXHO-IWMBGFJWSA-N 1 0 268.357 1.859 20 5 CDBDRO CCOC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168977497 927564005 /nfs/dbraw/zinc/56/40/05/927564005.db2.gz KKCWEXYKUNJVEF-WYUUTHIRSA-N 1 0 270.329 1.363 20 5 CDBDRO COc1cncc(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168978856 927565914 /nfs/dbraw/zinc/56/59/14/927565914.db2.gz UYVQFIYRXQWVGL-OLZOCXBDSA-N 1 0 279.340 1.668 20 5 CDBDRO COC(=O)c1cccnc1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168980251 927568676 /nfs/dbraw/zinc/56/86/76/927568676.db2.gz CKTNXQUOGGYWRA-MNOVXSKESA-N 1 0 293.323 1.403 20 5 CDBDRO C[C@](O)(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168956829 927577309 /nfs/dbraw/zinc/57/73/09/927577309.db2.gz FVCUOMFNOMQOFG-CFVMTHIKSA-N 1 0 278.352 1.929 20 5 CDBDRO Cc1ccnc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168964489 927586816 /nfs/dbraw/zinc/58/68/16/927586816.db2.gz UCXKRTAINJOOBI-GHMZBOCLSA-N 1 0 250.302 1.320 20 5 CDBDRO COc1cccc(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168965085 927587835 /nfs/dbraw/zinc/58/78/35/927587835.db2.gz XVJPOECFSSWULT-YPMHNXCESA-N 1 0 279.340 1.668 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCC2CCOCC2)C1 ZINC001168965332 927589737 /nfs/dbraw/zinc/58/97/37/927589737.db2.gz ZUJDBGBWQXHOEX-STQMWFEESA-N 1 0 256.346 1.838 20 5 CDBDRO COC(=O)c1ccnc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168974418 927597597 /nfs/dbraw/zinc/59/75/97/927597597.db2.gz QGHDBUWKHAQWPQ-CMPLNLGQSA-N 1 0 293.323 1.403 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(CC3CCC3)C2)C1 ZINC001168992812 927601291 /nfs/dbraw/zinc/60/12/91/927601291.db2.gz KWTWEHFGBOVIDN-ILXRZTDVSA-N 1 0 281.400 1.896 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2C[C@@H](F)C[C@H](CO)C2)C1 ZINC001169006007 927609528 /nfs/dbraw/zinc/60/95/28/927609528.db2.gz FDNANJPNVGNLMU-RHYQMDGZSA-N 1 0 260.309 1.084 20 5 CDBDRO C[C@@]1(O)CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169011302 927616906 /nfs/dbraw/zinc/61/69/06/927616906.db2.gz JOOZYANFTGECEY-WISYIIOYSA-N 1 0 260.309 1.227 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3CCCO[C@@H]3C2)C1 ZINC001169010716 927616993 /nfs/dbraw/zinc/61/69/93/927616993.db2.gz FUEGNQWNWCFWSV-AAVRWANBSA-N 1 0 268.357 1.933 20 5 CDBDRO COC(=O)[C@@]1(C)CCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011971 927618202 /nfs/dbraw/zinc/61/82/02/927618202.db2.gz OCHAYBXDCCZFEC-DMDPSCGWSA-N 1 0 270.329 1.459 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001168987396 927624503 /nfs/dbraw/zinc/62/45/03/927624503.db2.gz NHWPCWBDRQKDKZ-UHFFFAOYSA-N 1 0 286.295 1.466 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1ccc2cnccc2c1[N+](=O)[O-] ZINC001168987649 927624581 /nfs/dbraw/zinc/62/45/81/927624581.db2.gz VIMBHCIGZDMVMW-UHFFFAOYSA-N 1 0 298.306 1.533 20 5 CDBDRO C[C@](CO)([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168987483 927625313 /nfs/dbraw/zinc/62/53/13/927625313.db2.gz IZOOKPMZTJJZHH-AEGPPILISA-N 1 0 278.352 1.929 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](N3CCCC3)C2)C1 ZINC001169028921 927636180 /nfs/dbraw/zinc/63/61/80/927636180.db2.gz SUTRDHLPEDMSMH-MGPQQGTHSA-N 1 0 267.373 1.602 20 5 CDBDRO COC(=O)[C@]1(C)CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169034236 927640524 /nfs/dbraw/zinc/64/05/24/927640524.db2.gz GHFDXUOJYCXTLA-OUCADQQQSA-N 1 0 284.356 1.707 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)C1 ZINC001169036061 927644478 /nfs/dbraw/zinc/64/44/78/927644478.db2.gz FFGOVBHBFLDOEO-QQKNPXLJSA-N 1 0 266.341 1.541 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(n3cnnc3)CC2)C1 ZINC001169037055 927647754 /nfs/dbraw/zinc/64/77/54/927647754.db2.gz IFDAUUMKMZOWNQ-DGCLKSJQSA-N 1 0 279.344 1.360 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCCCC23COC3)C1 ZINC001169037255 927648179 /nfs/dbraw/zinc/64/81/79/927648179.db2.gz RLWNXAVLEYRTJR-RYUDHWBXSA-N 1 0 254.330 1.687 20 5 CDBDRO O=C1OCCN1C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169039473 927651293 /nfs/dbraw/zinc/65/12/93/927651293.db2.gz PWHJXMNZOSOUHV-WCQYABFASA-N 1 0 297.355 1.348 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H](N2CC([NH+]3CCCCC3)C2)C1 ZINC001169040112 927653644 /nfs/dbraw/zinc/65/36/44/927653644.db2.gz XYVUITFSYXESTB-QWHCGFSZSA-N 1 0 267.373 1.602 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H](N2CC([NH+]3CCCCC3)C2)C1 ZINC001169040113 927654984 /nfs/dbraw/zinc/65/49/84/927654984.db2.gz XYVUITFSYXESTB-STQMWFEESA-N 1 0 267.373 1.602 20 5 CDBDRO CC(C)(O)CCN1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169042814 927656846 /nfs/dbraw/zinc/65/68/46/927656846.db2.gz GALPFZQHVHJFSQ-ZIAGYGMSSA-N 1 0 299.415 1.210 20 5 CDBDRO CCOC(=O)[C@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169042128 927657086 /nfs/dbraw/zinc/65/70/86/927657086.db2.gz CZFWEROHJHMMQO-GRYCIOLGSA-N 1 0 270.329 1.317 20 5 CDBDRO CC(C)C[NH+]1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169019093 927659830 /nfs/dbraw/zinc/65/98/30/927659830.db2.gz GUKQVNGHWRKIOA-UONOGXRCSA-N 1 0 269.389 1.705 20 5 CDBDRO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169025869 927666921 /nfs/dbraw/zinc/66/69/21/927666921.db2.gz ZNZDCFASTFRLGW-NFAWXSAZSA-N 1 0 295.383 1.519 20 5 CDBDRO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCOC1 ZINC000776578474 927753006 /nfs/dbraw/zinc/75/30/06/927753006.db2.gz GADQIFWJBONPIH-WFASDCNBSA-N 1 0 294.351 1.987 20 5 CDBDRO COC(=O)[C@@H](C)C[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579241 927753743 /nfs/dbraw/zinc/75/37/43/927753743.db2.gz KGBNIQBQIZFRTI-GXFFZTMASA-N 1 0 296.323 1.369 20 5 CDBDRO [NH3+]CCc1cn(-c2c[n+]([O-])ccc2[N+](=O)[O-])c2cccnc12 ZINC001169709829 928362516 /nfs/dbraw/zinc/36/25/16/928362516.db2.gz BMFSFZDEZGWSPO-UHFFFAOYSA-N 1 0 299.290 1.068 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(N[C@H]2C[NH2+]C[C@@H]2CO)c1F ZINC001170781941 929971691 /nfs/dbraw/zinc/97/16/91/929971691.db2.gz LFPPLYZCXSUNFC-KCJUWKMLSA-N 1 0 269.276 1.035 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC001170865086 930516331 /nfs/dbraw/zinc/51/63/31/930516331.db2.gz YJWRILQZQFVUHY-CYBMUJFWSA-N 1 0 276.296 1.612 20 5 CDBDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886249565 930840061 /nfs/dbraw/zinc/84/00/61/930840061.db2.gz NLSIQDYHCZRGLG-CMPLNLGQSA-N 1 0 265.313 1.583 20 5 CDBDRO CC(C)(F)C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001154100979 937503844 /nfs/dbraw/zinc/50/38/44/937503844.db2.gz BFZRUIDSLRKBJT-UHFFFAOYSA-N 1 0 297.330 1.939 20 5 CDBDRO O=C(CC1CC1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001154112202 937505138 /nfs/dbraw/zinc/50/51/38/937505138.db2.gz UZZQYMMWRNMRAI-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246870927 932307685 /nfs/dbraw/zinc/30/76/85/932307685.db2.gz QBAYSYSMQANXRA-OSMZGAPFSA-N 1 0 261.325 1.559 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C/C=C/C2CC2)c1 ZINC001118089887 937589576 /nfs/dbraw/zinc/58/95/76/937589576.db2.gz BLXPNCCWDNBWOP-BAABZTOOSA-N 1 0 292.335 1.890 20 5 CDBDRO O=C([C@@H]1C[C@]12CC[NH2+]C2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118199000 937601385 /nfs/dbraw/zinc/60/13/85/937601385.db2.gz CSWUTNYZFUHAEM-ZFWWWQNUSA-N 1 0 287.319 1.437 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ncnc1NC[C@H]1CCCC[NH2+]1 ZINC001171326760 932678112 /nfs/dbraw/zinc/67/81/12/932678112.db2.gz DXEOXRLLCQWHPY-SSDOTTSWSA-N 1 0 271.708 1.592 20 5 CDBDRO O=[N+]([O-])c1cccc(-n2cncc2C2CC[NH2+]CC2)n1 ZINC001155053271 937627436 /nfs/dbraw/zinc/62/74/36/937627436.db2.gz LRVJPKIVDKZIAN-UHFFFAOYSA-N 1 0 273.296 1.643 20 5 CDBDRO Nc1cc(-n2cncc2C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001155057237 937628872 /nfs/dbraw/zinc/62/88/72/937628872.db2.gz BIRLOYJOWQQGJF-UHFFFAOYSA-N 1 0 288.311 1.225 20 5 CDBDRO CCOc1nc(-n2nccc2C[NH3+])ccc1[N+](=O)[O-] ZINC001155125361 937639211 /nfs/dbraw/zinc/63/92/11/937639211.db2.gz WPGOKKLCJGDGMX-UHFFFAOYSA-N 1 0 263.257 1.033 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001155914860 937688202 /nfs/dbraw/zinc/68/82/02/937688202.db2.gz MXRSXJNUNXKMKJ-ZETCQYMHSA-N 1 0 269.261 1.260 20 5 CDBDRO CC[N@H+](C[C@@H]1CCOC1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779865812 934754958 /nfs/dbraw/zinc/75/49/58/934754958.db2.gz QWGXAKDZJRKHIP-NSHDSACASA-N 1 0 268.317 1.416 20 5 CDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1cc(N)c([N+](=O)[O-])cn1 ZINC001120932225 937848579 /nfs/dbraw/zinc/84/85/79/937848579.db2.gz POIHEMXYMNSROG-QWRGUYRKSA-N 1 0 291.355 1.635 20 5 CDBDRO CC(C)[N@@H+]1CCCN(c2nnc([C@H](C)[N+](=O)[O-])n2C)CC1 ZINC001121296614 937866280 /nfs/dbraw/zinc/86/62/80/937866280.db2.gz LCCQKRZVFGSQDG-NSHDSACASA-N 1 0 296.375 1.073 20 5 CDBDRO [NH3+]CCc1ccn(-c2cc([N+](=O)[O-])c3cc[nH]c3n2)n1 ZINC001156898729 938431180 /nfs/dbraw/zinc/43/11/80/938431180.db2.gz WVTZXWXGDSOXGM-UHFFFAOYSA-N 1 0 272.268 1.158 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001157259874 938470287 /nfs/dbraw/zinc/47/02/87/938470287.db2.gz GQOAMDGACZCCCQ-AAEUAGOBSA-N 1 0 276.340 1.829 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(c3cc([N+](=O)[O-])ccn3)C[C@@H]21 ZINC001157259717 938470545 /nfs/dbraw/zinc/47/05/45/938470545.db2.gz FSDQAQRPNISPLK-PWSUYJOCSA-N 1 0 262.313 1.520 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c(N)n3)C[C@@H]21 ZINC001157271582 938473932 /nfs/dbraw/zinc/47/39/32/938473932.db2.gz ISZPRACTMZXEQQ-ONGXEEELSA-N 1 0 277.328 1.102 20 5 CDBDRO Cc1cnc(N2CC[C@](F)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001157809791 938549088 /nfs/dbraw/zinc/54/90/88/938549088.db2.gz TXTQNNNZFPCFOQ-NSHDSACASA-N 1 0 254.265 1.175 20 5 CDBDRO CC(C)Oc1nc(N2C[C@H](C)[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001158186977 938592281 /nfs/dbraw/zinc/59/22/81/938592281.db2.gz SUHDPPWOUVVSDE-QWRGUYRKSA-N 1 0 294.355 1.964 20 5 CDBDRO CCN(c1cc(OC)c([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]C1 ZINC001158203587 938594738 /nfs/dbraw/zinc/59/47/38/938594738.db2.gz AJHWSQYPLIIJFO-JTQLQIEISA-N 1 0 280.328 1.577 20 5 CDBDRO Cc1cc(C(=O)N(C)CC2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000137113722 938610434 /nfs/dbraw/zinc/61/04/34/938610434.db2.gz LGKHJYRIOQMVOB-UHFFFAOYSA-N 1 0 291.351 1.975 20 5 CDBDRO CN(c1cnc2ccc([N+](=O)[O-])cc2n1)C(C)(C)C[NH3+] ZINC001159052017 938698137 /nfs/dbraw/zinc/69/81/37/938698137.db2.gz YRATYOAFTFSRBQ-UHFFFAOYSA-N 1 0 275.312 1.712 20 5 CDBDRO Nc1nc(-n2ccc3cccc(C[NH3+])c32)ccc1[N+](=O)[O-] ZINC001160461180 938789283 /nfs/dbraw/zinc/78/92/83/938789283.db2.gz UODJWLZFJWGOKR-UHFFFAOYSA-N 1 0 283.291 1.975 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1Nc1cccc(CC[NH3+])c1 ZINC001161077065 938869389 /nfs/dbraw/zinc/86/93/89/938869389.db2.gz LSKXVUXQKLVHFC-UHFFFAOYSA-N 1 0 288.307 1.781 20 5 CDBDRO C[C@@H]1C[C@@H](CNc2ncnc3[nH]cc([N+](=O)[O-])c32)C[NH2+]1 ZINC001162553266 939085711 /nfs/dbraw/zinc/08/57/11/939085711.db2.gz ZPWIDHLOVNEAKK-HTQZYQBOSA-N 1 0 276.300 1.228 20 5 CDBDRO CCCC(C[NH3+])(CCC)Nc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001163035070 939182184 /nfs/dbraw/zinc/18/21/84/939182184.db2.gz DINPUHJPDIDFHF-UHFFFAOYSA-N 1 0 282.344 1.938 20 5 CDBDRO O=[N+]([O-])c1cccc2cnc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)nc21 ZINC001163261781 939235413 /nfs/dbraw/zinc/23/54/13/939235413.db2.gz NIORUYRVGYOKCQ-USWWRNFRSA-N 1 0 299.334 1.948 20 5 CDBDRO COc1nc(NCC2([NH3+])CCC2)ccc1[N+](=O)[O-] ZINC001163320794 939246202 /nfs/dbraw/zinc/24/62/02/939246202.db2.gz BCUDPLMTGKJSJR-UHFFFAOYSA-N 1 0 252.274 1.292 20 5 CDBDRO CCOc1cc([N+](=O)[O-])ccc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001163342289 939251524 /nfs/dbraw/zinc/25/15/24/939251524.db2.gz GJWCQIWMFFGWGD-DYEKYZERSA-N 1 0 293.323 1.535 20 5 CDBDRO C[NH2+]C1CN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)C1 ZINC001163707409 939312598 /nfs/dbraw/zinc/31/25/98/939312598.db2.gz RWHBKJFSKMWHHX-UHFFFAOYSA-N 1 0 285.307 1.460 20 5 CDBDRO CC[N@@H+]1CCCN(c2nc(OC)nc(C)c2[N+](=O)[O-])CC1 ZINC001163775262 939327980 /nfs/dbraw/zinc/32/79/80/939327980.db2.gz WFCVLGUDJKQBRY-UHFFFAOYSA-N 1 0 295.343 1.234 20 5 CDBDRO C[C@@H]1CC[C@@H](C[NH3+])N(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001164072593 939405886 /nfs/dbraw/zinc/40/58/86/939405886.db2.gz AHPGZTWIFCCIKZ-BDAKNGLRSA-N 1 0 265.317 1.136 20 5 CDBDRO CC(C)N(CCC[NH3+])c1cc([N+](=O)[O-])c2nncn2c1 ZINC001164127066 939414673 /nfs/dbraw/zinc/41/46/73/939414673.db2.gz OAIWOANKFVCLDI-UHFFFAOYSA-N 1 0 278.316 1.201 20 5 CDBDRO CC(C)N(CCC[NH3+])c1cccc2ncc([N+](=O)[O-])n21 ZINC001164128875 939415836 /nfs/dbraw/zinc/41/58/36/939415836.db2.gz MNSSTZQEDDZTOJ-UHFFFAOYSA-N 1 0 277.328 1.806 20 5 CDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N1CC[C@H]([NH3+])C1 ZINC001164282141 939445688 /nfs/dbraw/zinc/44/56/88/939445688.db2.gz UDVZTGSOPZLLEM-VIFPVBQESA-N 1 0 279.296 1.309 20 5 CDBDRO Cc1ccnc(-n2cnc3c2C[NH2+]CC3)c1[N+](=O)[O-] ZINC001164310290 939451242 /nfs/dbraw/zinc/45/12/42/939451242.db2.gz OMVXUYDEBCAVRT-UHFFFAOYSA-N 1 0 259.269 1.130 20 5 CDBDRO [NH3+]CCONc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001164428742 939472322 /nfs/dbraw/zinc/47/23/22/939472322.db2.gz HCFORNSTGIJLQA-UHFFFAOYSA-N 1 0 265.191 1.916 20 5 CDBDRO COc1nc(N2C[C@@H](C[NH3+])CC[C@H]2C)ccc1[N+](=O)[O-] ZINC001164461211 939475631 /nfs/dbraw/zinc/47/56/31/939475631.db2.gz HQSRCFRHXLIWHA-NXEZZACHSA-N 1 0 280.328 1.562 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N(C)CC[NH+]2CCCC2)n1 ZINC001165140521 939516469 /nfs/dbraw/zinc/51/64/69/939516469.db2.gz ODUPMHMBHBGRSG-UHFFFAOYSA-N 1 0 265.317 1.225 20 5 CDBDRO COc1cnc(N2CC[C@@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001165237697 939531373 /nfs/dbraw/zinc/53/13/73/939531373.db2.gz ZRIKQGRXENDHAI-AWEZNQCLSA-N 1 0 292.339 1.578 20 5 CDBDRO COc1ncnc(N2CCC3(CC([NH3+])C3)CC2)c1[N+](=O)[O-] ZINC001165243411 939532251 /nfs/dbraw/zinc/53/22/51/939532251.db2.gz KGQKOBDTOFHDIN-UHFFFAOYSA-N 1 0 293.327 1.101 20 5 CDBDRO COc1nc(N2CCC3(CC([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001165243567 939532325 /nfs/dbraw/zinc/53/23/25/939532325.db2.gz NAHBJLRZRZTUAM-UHFFFAOYSA-N 1 0 293.327 1.101 20 5 CDBDRO Cc1cc(N2C[C@@H]3C[C@]3([NH3+])C2)nc2ccc([N+](=O)[O-])cc12 ZINC001165312633 939544353 /nfs/dbraw/zinc/54/43/53/939544353.db2.gz BWNGPDUGMVTVPU-BONVTDFDSA-N 1 0 284.319 1.989 20 5 CDBDRO [NH3+][C@@]12C[C@@H]1CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)C2 ZINC001165326674 939545613 /nfs/dbraw/zinc/54/56/13/939545613.db2.gz GGTUTDAJMDXIAP-LKFCYVNXSA-N 1 0 285.307 1.466 20 5 CDBDRO CC(C)Oc1nc(N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001165384345 939554627 /nfs/dbraw/zinc/55/46/27/939554627.db2.gz DATOSONHNFZEAI-BZBKMWRSSA-N 1 0 278.312 1.170 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001165387374 939556309 /nfs/dbraw/zinc/55/63/09/939556309.db2.gz MEVYOOYDSFTZOD-SCZZXKLOSA-N 1 0 268.704 1.584 20 5 CDBDRO Cc1ccnc(N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)c1[N+](=O)[O-] ZINC001165434520 939564867 /nfs/dbraw/zinc/56/48/67/939564867.db2.gz ZOUBXKDTXFDSLO-GHMZBOCLSA-N 1 0 294.330 1.811 20 5 CDBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(-n2c[nH+]cc2N)c1 ZINC001211367023 940750378 /nfs/dbraw/zinc/75/03/78/940750378.db2.gz BMUVKMVEGBAGFU-UHFFFAOYSA-N 1 0 276.252 1.539 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1N[C@H]1C[NH+]2CCC1CC2 ZINC000401269834 940866100 /nfs/dbraw/zinc/86/61/00/940866100.db2.gz QIWWQBYENCDZNU-JTQLQIEISA-N 1 0 266.276 1.635 20 5 CDBDRO [NH3+]CCCO[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC001217914118 941028509 /nfs/dbraw/zinc/02/85/09/941028509.db2.gz WWYDHTVAZUQYBF-JTQLQIEISA-N 1 0 283.303 1.678 20 5 CDBDRO COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@@H]1CCC[NH2+]C1 ZINC001218283210 941051015 /nfs/dbraw/zinc/05/10/15/941051015.db2.gz HDTVJSUSHQMPPO-SNVBAGLBSA-N 1 0 294.307 1.821 20 5 CDBDRO COC(=O)c1ccc(CO[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001223414176 941676008 /nfs/dbraw/zinc/67/60/08/941676008.db2.gz YBJBDSLACDZHAT-JTQLQIEISA-N 1 0 296.323 1.848 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCc1cccc(S(C)(=O)=O)c1 ZINC001223441135 941678608 /nfs/dbraw/zinc/67/86/08/941678608.db2.gz JOIALNPRBSEMSQ-LBPRGKRZSA-N 1 0 286.417 1.701 20 5 CDBDRO CCOC(=O)[C@@H](C)[C@H](OCC[N+](C)(C)C)C(F)(F)F ZINC001224771997 941790227 /nfs/dbraw/zinc/79/02/27/941790227.db2.gz VLDOCRZVVSRKPM-UWVGGRQHSA-N 1 0 286.314 1.839 20 5 CDBDRO COC(=O)[C@H](OCC[N+](C)(C)C)c1ccc(F)cc1 ZINC001224772417 941790313 /nfs/dbraw/zinc/79/03/13/941790313.db2.gz ZWRMAVPVMUCPTD-CYBMUJFWSA-N 1 0 270.324 1.763 20 5 CDBDRO COc1nccc2c(O[C@@H](C)C[N+](C)(C)C)ncnc21 ZINC001226714910 942055323 /nfs/dbraw/zinc/05/53/23/942055323.db2.gz GTULRUKTQFIELM-JTQLQIEISA-N 1 0 277.348 1.507 20 5 CDBDRO CC(C)CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001227257756 942159650 /nfs/dbraw/zinc/15/96/50/942159650.db2.gz DGMMADIVONPYMZ-ZIAGYGMSSA-N 1 0 297.399 1.668 20 5 CDBDRO Cc1[nH]c(=O)cc(OC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001228686189 942357426 /nfs/dbraw/zinc/35/74/26/942357426.db2.gz MJEWTXVCILLRQG-UHFFFAOYSA-N 1 0 267.285 1.477 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1nc(Cl)nc2ncn(C)c21 ZINC001229029863 942409423 /nfs/dbraw/zinc/40/94/23/942409423.db2.gz JUAZGIGBTKCJJS-QMMMGPOBSA-N 1 0 284.771 1.490 20 5 CDBDRO CCOC(=O)c1c(O)cc(O)cc1O[C@H](C)C[N+](C)(C)C ZINC001229746751 942525406 /nfs/dbraw/zinc/52/54/06/942525406.db2.gz KMEIBQPYBKCMRY-SNVBAGLBSA-O 1 0 298.359 1.748 20 5 CDBDRO COC(=O)c1c(O)cc(O)cc1O[C@H](C)C[N+](C)(C)C ZINC001234354851 943814388 /nfs/dbraw/zinc/81/43/88/943814388.db2.gz WCGBLSPKQLAUCE-SECBINFHSA-O 1 0 284.332 1.358 20 5 CDBDRO C[C@@H](O)[C@@H](C)[NH2+]CCNc1ccccc1[N+](=O)[O-] ZINC001262561816 946711207 /nfs/dbraw/zinc/71/12/07/946711207.db2.gz HPEIHQFLEHHSEV-NXEZZACHSA-N 1 0 253.302 1.366 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCC[C@@H](O)C1)C2 ZINC001254565198 947527223 /nfs/dbraw/zinc/52/72/23/947527223.db2.gz CFGBXAZYVKSYRL-VNHYZAJKSA-N 1 0 276.336 1.955 20 5 CDBDRO COC[C@@H]1CN([C@@H](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC001254565429 947528964 /nfs/dbraw/zinc/52/89/64/947528964.db2.gz PFJRKINMTABRBB-JSGCOSHPSA-N 1 0 294.351 1.873 20 5 CDBDRO CN1CCC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254569495 947529641 /nfs/dbraw/zinc/52/96/41/947529641.db2.gz YQYANEJXKSWOJW-CQSZACIVSA-N 1 0 275.352 1.746 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC001326075534 954207911 /nfs/dbraw/zinc/20/79/11/954207911.db2.gz OEQZXKXSQYAUST-SNVBAGLBSA-N 1 0 292.339 1.366 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC001326361301 954338869 /nfs/dbraw/zinc/33/88/69/954338869.db2.gz LBVFEMOCASJSCJ-SNVBAGLBSA-N 1 0 292.339 1.461 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC001303798446 956121219 /nfs/dbraw/zinc/12/12/19/956121219.db2.gz BDJRPEISQKOJQJ-KOLCDFICSA-N 1 0 292.339 1.308 20 5 CDBDRO Cc1c(CC(=O)NCCC(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC001333697034 958524356 /nfs/dbraw/zinc/52/43/56/958524356.db2.gz ZKJZITKSSAMELZ-UHFFFAOYSA-N 1 0 279.340 1.689 20 5 CDBDRO Cc1c(NC(=O)NCC[NH+]2CC=CC2)cccc1[N+](=O)[O-] ZINC001319404650 958537443 /nfs/dbraw/zinc/53/74/43/958537443.db2.gz ODFSGOKDLROILA-UHFFFAOYSA-N 1 0 290.323 1.897 20 5 CDBDRO CC(C)c1nccn1CCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001321288175 959699879 /nfs/dbraw/zinc/69/98/79/959699879.db2.gz PSOAIAMPNZCXHY-UHFFFAOYSA-N 1 0 292.299 1.068 20 5 CDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CO1 ZINC001335439092 959803738 /nfs/dbraw/zinc/80/37/38/959803738.db2.gz AKMJARNEEHGLKI-XWIASGKRSA-N 1 0 266.297 1.395 20 5 CDBDRO COC1CC[NH+](CCNc2c(C)cncc2[N+](=O)[O-])CC1 ZINC001323149249 960485104 /nfs/dbraw/zinc/48/51/04/960485104.db2.gz UFBMNGJSWFTBID-UHFFFAOYSA-N 1 0 294.355 1.243 20 5 CDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341777725 963539304 /nfs/dbraw/zinc/53/93/04/963539304.db2.gz LLZAKQGERBLUOB-BJJPWKGXSA-N 1 0 287.319 1.032 20 5 CDBDRO CCC[N@@H+]1CC[C@H](CNc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001347944817 965758666 /nfs/dbraw/zinc/75/86/66/965758666.db2.gz LBUMLVZSXQDNSK-SNVBAGLBSA-N 1 0 279.344 1.716 20 5 CDBDRO C[C@@](O)(C[NH2+]CC[N+](=O)[O-])c1ccccc1Cl ZINC001353326309 967901976 /nfs/dbraw/zinc/90/19/76/967901976.db2.gz WRDFYVFIYBPOBO-LLVKDONJSA-N 1 0 258.705 1.414 20 5 CDBDRO O=C(OC[C@@H]1CCC[N@@H+]1CC1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001527011402 968633894 /nfs/dbraw/zinc/63/38/94/968633894.db2.gz CMJYIWAHJILVNI-QJPTWQEYSA-N 1 0 268.313 1.069 20 5 CDBDRO C[NH2+]C1(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)CCC1 ZINC001515789139 969917969 /nfs/dbraw/zinc/91/79/69/969917969.db2.gz LKSRFVBXXDRWNH-UHFFFAOYSA-N 1 0 263.297 1.984 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCC23CC[NH2+]CC3)c1 ZINC001574441396 1170983844 /nfs/dbraw/zinc/98/38/44/1170983844.db2.gz WSSWFVSCLRNVLW-CQSZACIVSA-N 1 0 291.351 1.456 20 5 CDBDRO Nc1c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC000275825758 341977516 /nfs/dbraw/zinc/97/75/16/341977516.db2.gz XAIXRUUJFPPLLD-IUCAKERBSA-N 1 0 296.302 1.316 20 5 CDBDRO CC(C)[NH2+]C1(CO)CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000601172181 342485935 /nfs/dbraw/zinc/48/59/35/342485935.db2.gz WKXRXWIQHKAFOX-UHFFFAOYSA-N 1 0 299.396 1.986 20 5 CDBDRO CC(=O)c1ccc(N[C@H](CO)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000589101387 342496919 /nfs/dbraw/zinc/49/69/19/342496919.db2.gz BKWHIFAAPHLBCM-NSHDSACASA-N 1 0 281.312 1.132 20 5 CDBDRO C[N@H+](CCCCNC(=O)c1ccc([N+](=O)[O-])o1)C1CC1 ZINC000457174904 365550917 /nfs/dbraw/zinc/55/09/17/365550917.db2.gz MHDDZORSHNQWAV-UHFFFAOYSA-N 1 0 281.312 1.792 20 5 CDBDRO CC[C@@]1([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCOC1 ZINC000616865973 342568109 /nfs/dbraw/zinc/56/81/09/342568109.db2.gz DHRXRTGISHOOLS-CQSZACIVSA-N 1 0 293.323 1.352 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC1=CC[NH2+]CC1 ZINC000169283747 361779666 /nfs/dbraw/zinc/77/96/66/361779666.db2.gz VAEKXSMSJDKKBR-UHFFFAOYSA-N 1 0 275.308 1.173 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000117202932 342621785 /nfs/dbraw/zinc/62/17/85/342621785.db2.gz QNXXGNKEFSLXCK-HUUCEWRRSA-N 1 0 291.351 1.630 20 5 CDBDRO Cc1cc(N2CC[C@@H]3CC[NH2+][C@H]3C2)ncc1[N+](=O)[O-] ZINC000591436500 342631680 /nfs/dbraw/zinc/63/16/80/342631680.db2.gz BAQVDVLFAHKLAZ-QWRGUYRKSA-N 1 0 262.313 1.486 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591270309 342623609 /nfs/dbraw/zinc/62/36/09/342623609.db2.gz BWLVPOBKMZHZBA-GWCFXTLKSA-N 1 0 290.323 1.811 20 5 CDBDRO [NH3+]CC1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000310762188 342135186 /nfs/dbraw/zinc/13/51/86/342135186.db2.gz PRZMIYNUAOYQGS-UHFFFAOYSA-N 1 0 270.720 1.818 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000592542181 342708619 /nfs/dbraw/zinc/70/86/19/342708619.db2.gz PFMCFTHUJUFJFM-WUWHUORYSA-N 1 0 289.335 1.546 20 5 CDBDRO Cc1c(CC(=O)N[C@H](C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000269584286 190516621 /nfs/dbraw/zinc/51/66/21/190516621.db2.gz AWPQIILWUVWJAK-LLVKDONJSA-N 1 0 293.367 1.902 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC23CCC(CC2)C3)c1 ZINC000573437573 361877988 /nfs/dbraw/zinc/87/79/88/361877988.db2.gz FMKRHYWZQSLKJV-QRMWWUJWSA-N 1 0 294.355 1.322 20 5 CDBDRO C[C@H](CCO)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000593109514 342769295 /nfs/dbraw/zinc/76/92/95/342769295.db2.gz ZHMMGTGDUYYDRD-VXGBXAGGSA-N 1 0 298.339 1.037 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000070303537 361922862 /nfs/dbraw/zinc/92/28/62/361922862.db2.gz KPCRDGZIKMYLHE-UHFFFAOYSA-N 1 0 251.286 1.195 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000341591750 539038993 /nfs/dbraw/zinc/03/89/93/539038993.db2.gz JOCBIWQDQZVUES-SNVBAGLBSA-N 1 0 292.339 1.590 20 5 CDBDRO CC1(C)[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000594003741 342862569 /nfs/dbraw/zinc/86/25/69/342862569.db2.gz SIFNTKSVCKYHKT-NEPJUHHUSA-N 1 0 268.288 1.983 20 5 CDBDRO Cn1nnc2c1CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000594513733 342912845 /nfs/dbraw/zinc/91/28/45/342912845.db2.gz GVTZNYQPZOLTQF-NSHDSACASA-N 1 0 287.323 1.370 20 5 CDBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1[nH]ncc1[N+](=O)[O-] ZINC000594420483 342903082 /nfs/dbraw/zinc/90/30/82/342903082.db2.gz VDTNDPJSKWLWDK-ZJUUUORDSA-N 1 0 293.327 1.065 20 5 CDBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])[nH]1 ZINC000594422364 342903628 /nfs/dbraw/zinc/90/36/28/342903628.db2.gz YQOTWQDHJSIDFS-ZYHUDNBSSA-N 1 0 292.339 1.670 20 5 CDBDRO CCCc1n[nH]c(C(=O)NCC2([NH2+]C)CCC2)c1[N+](=O)[O-] ZINC000600825319 342251819 /nfs/dbraw/zinc/25/18/19/342251819.db2.gz RUTMRNNSBPDMOT-UHFFFAOYSA-N 1 0 295.343 1.142 20 5 CDBDRO CC[C@@H](C)CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000594718199 342947657 /nfs/dbraw/zinc/94/76/57/342947657.db2.gz KRTWBSJWXLABNN-ZYHUDNBSSA-N 1 0 270.333 1.178 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000595231235 343009686 /nfs/dbraw/zinc/00/96/86/343009686.db2.gz NZJYBXVAXLMWPB-VIFPVBQESA-N 1 0 266.301 1.633 20 5 CDBDRO C[NH+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595288331 343023707 /nfs/dbraw/zinc/02/37/07/343023707.db2.gz YVZSFFMLGUIGFK-UHFFFAOYSA-N 1 0 253.277 1.481 20 5 CDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1onc(C)c1[N+](=O)[O-] ZINC000595344700 343043883 /nfs/dbraw/zinc/04/38/83/343043883.db2.gz NXSUSCYAFFEIJX-NEPJUHHUSA-N 1 0 294.355 1.950 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000600962584 342327681 /nfs/dbraw/zinc/32/76/81/342327681.db2.gz HFMWZJSXBCCTCG-MGCOHNPYSA-N 1 0 250.302 1.919 20 5 CDBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000595769032 343146502 /nfs/dbraw/zinc/14/65/02/343146502.db2.gz IOXUQUWBIFJLFR-BXUZGUMPSA-N 1 0 280.324 1.819 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)c1csc([N+](=O)[O-])c1 ZINC000595941165 343203737 /nfs/dbraw/zinc/20/37/37/343203737.db2.gz AEAWPOXBSDPCML-UHFFFAOYSA-N 1 0 257.315 1.466 20 5 CDBDRO CCOc1ccc(C(=O)N[C@@H](C)C[NH2+]C)cc1[N+](=O)[O-] ZINC000595982612 343210781 /nfs/dbraw/zinc/21/07/81/343210781.db2.gz JYSDQJCDIQJJOX-VIFPVBQESA-N 1 0 281.312 1.331 20 5 CDBDRO CSc1ccc(C(=O)N[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595992124 343213074 /nfs/dbraw/zinc/21/30/74/343213074.db2.gz OHJHTBACTSUOMT-ZDUSSCGKSA-N 1 0 295.364 1.799 20 5 CDBDRO C[C@@]1(NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000595992905 343213197 /nfs/dbraw/zinc/21/31/97/343213197.db2.gz UCFUXABVFHZQIW-CYBMUJFWSA-N 1 0 295.364 1.555 20 5 CDBDRO C[C@@H]1C[C@@H](C)N(c2ccc(N)c([N+](=O)[O-])n2)C[C@H]1C[NH3+] ZINC000596014436 343218862 /nfs/dbraw/zinc/21/88/62/343218862.db2.gz PZEDZFJFRUJHKD-OPRDCNLKSA-N 1 0 279.344 1.382 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000595916393 343191396 /nfs/dbraw/zinc/19/13/96/343191396.db2.gz RQUMMYUIJWMNDL-LBPRGKRZSA-N 1 0 280.328 1.121 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596120588 343247824 /nfs/dbraw/zinc/24/78/24/343247824.db2.gz VWPIHQYOSKTBHW-SNVBAGLBSA-N 1 0 292.339 1.447 20 5 CDBDRO CC[N@@H+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C[C@H]1C ZINC000596173339 343259674 /nfs/dbraw/zinc/25/96/74/343259674.db2.gz TULUCKKHWRSESI-SECBINFHSA-N 1 0 266.301 1.226 20 5 CDBDRO CN(CCC[NH+]1CCCC1)c1ccc(N)c([N+](=O)[O-])n1 ZINC000596224250 343271623 /nfs/dbraw/zinc/27/16/23/343271623.db2.gz DNEJRGNANUQGOD-UHFFFAOYSA-N 1 0 279.344 1.494 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000597859541 343648832 /nfs/dbraw/zinc/64/88/32/343648832.db2.gz FGKKIULRTHSUMV-SECBINFHSA-N 1 0 295.343 1.168 20 5 CDBDRO C[C@@H](CCNC(=O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000598001205 343686196 /nfs/dbraw/zinc/68/61/96/343686196.db2.gz XKYRHZXDCRRUCZ-JTQLQIEISA-N 1 0 265.313 1.665 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000598343063 343771669 /nfs/dbraw/zinc/77/16/69/343771669.db2.gz QFNOYELEZYBZCE-CYBMUJFWSA-N 1 0 291.351 1.738 20 5 CDBDRO C[NH2+]C1(CNc2ncc(C)cc2[N+](=O)[O-])CCC1 ZINC000598632993 343849744 /nfs/dbraw/zinc/84/97/44/343849744.db2.gz HTJMJVZCHAYHAX-UHFFFAOYSA-N 1 0 250.302 1.852 20 5 CDBDRO [NH3+]C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000598916415 343920074 /nfs/dbraw/zinc/92/00/74/343920074.db2.gz YIBXUQAGJRYVOK-UHFFFAOYSA-N 1 0 282.275 1.737 20 5 CDBDRO O=C(NCC1CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000598917166 343920667 /nfs/dbraw/zinc/92/06/67/343920667.db2.gz ZLILLWXYIHCCTB-UHFFFAOYSA-N 1 0 296.302 1.855 20 5 CDBDRO O=[N+]([O-])c1sccc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599175933 343966081 /nfs/dbraw/zinc/96/60/81/343966081.db2.gz JWVKUNPJSMOZOG-MRVPVSSYSA-N 1 0 257.315 1.135 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000599531086 344076220 /nfs/dbraw/zinc/07/62/20/344076220.db2.gz HOBYNNVRHQCNTF-AGIUHOORSA-N 1 0 294.351 1.497 20 5 CDBDRO COc1cc(C[NH2+]C[C@@H]2CC[C@@H](C)O2)c([N+](=O)[O-])cc1O ZINC000453635834 252329962 /nfs/dbraw/zinc/32/99/62/252329962.db2.gz VKGXMVBCYGNWMB-KOLCDFICSA-N 1 0 296.323 1.966 20 5 CDBDRO O=C(NCC1C[NH2+]C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602483797 344448865 /nfs/dbraw/zinc/44/88/65/344448865.db2.gz LVHUGSZLTQSTEQ-UHFFFAOYSA-N 1 0 289.335 1.352 20 5 CDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000602532561 344469996 /nfs/dbraw/zinc/46/99/96/344469996.db2.gz YFVLIFSDIQAERA-VIFPVBQESA-N 1 0 267.285 1.258 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCCO)CC2)cn1 ZINC000602641888 344512411 /nfs/dbraw/zinc/51/24/11/344512411.db2.gz UJDZWJIYXWSQBD-UHFFFAOYSA-N 1 0 294.355 1.321 20 5 CDBDRO CN(CCC[NH+](C)C)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000542508510 362445946 /nfs/dbraw/zinc/44/59/46/362445946.db2.gz VHQDZZPMERJZBV-UHFFFAOYSA-N 1 0 289.339 1.926 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000128954239 362409370 /nfs/dbraw/zinc/40/93/70/362409370.db2.gz KEYDSDAIMJXLMS-JTQLQIEISA-N 1 0 264.285 1.420 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000602764219 344584956 /nfs/dbraw/zinc/58/49/56/344584956.db2.gz VELATNYPHFNMLN-GFCCVEGCSA-N 1 0 294.355 1.601 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000602795941 344586553 /nfs/dbraw/zinc/58/65/53/344586553.db2.gz INBXYUBMKDIEMU-NSHDSACASA-N 1 0 284.360 1.439 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000602795579 344586636 /nfs/dbraw/zinc/58/66/36/344586636.db2.gz NMMDFAIHNRZOBX-RYUDHWBXSA-N 1 0 282.344 1.193 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CO)c1ccccc1 ZINC000602796755 344588151 /nfs/dbraw/zinc/58/81/51/344588151.db2.gz CQBZAOZQZFTLKR-CYBMUJFWSA-N 1 0 290.323 1.423 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CCO)C(C)C ZINC000602806425 344615289 /nfs/dbraw/zinc/61/52/89/344615289.db2.gz TVARAISTUMDOQE-LLVKDONJSA-N 1 0 270.333 1.096 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CCC[C@H]1CCO ZINC000602818199 344607934 /nfs/dbraw/zinc/60/79/34/344607934.db2.gz CGQOONOGQUYYHL-RYUDHWBXSA-N 1 0 282.344 1.240 20 5 CDBDRO COC[C@@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602836876 344619093 /nfs/dbraw/zinc/61/90/93/344619093.db2.gz HVQKMQHXCNQIFI-LBPRGKRZSA-N 1 0 282.344 1.601 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)n1 ZINC000602998182 344684063 /nfs/dbraw/zinc/68/40/63/344684063.db2.gz YRWUDUPPCVNPRA-XQQFMLRXSA-N 1 0 294.355 1.417 20 5 CDBDRO CC[NH2+]Cc1cn(Cc2ccc([N+](=O)[O-])cc2OC)nn1 ZINC000603243797 344758860 /nfs/dbraw/zinc/75/88/60/344758860.db2.gz OFHQMSGDQKNYRH-UHFFFAOYSA-N 1 0 291.311 1.353 20 5 CDBDRO Cc1ccc(NC(=O)[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000609493467 345050108 /nfs/dbraw/zinc/05/01/08/345050108.db2.gz YXBBEPYRVHCCMK-JTQLQIEISA-N 1 0 263.297 1.793 20 5 CDBDRO Cc1cc(NC[C@](C)(O)C[NH+](C)C)ncc1[N+](=O)[O-] ZINC000228669351 362516359 /nfs/dbraw/zinc/51/63/59/362516359.db2.gz RYLJTXTXDRNFSL-LBPRGKRZSA-N 1 0 268.317 1.023 20 5 CDBDRO Nc1c(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000292900644 362517493 /nfs/dbraw/zinc/51/74/93/362517493.db2.gz DKNKUZHUFOSHNE-GXSJLCMTSA-N 1 0 290.323 1.001 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)c1 ZINC000344350383 362572749 /nfs/dbraw/zinc/57/27/49/362572749.db2.gz IPEKFISFSBBMKW-ZDUSSCGKSA-N 1 0 298.364 1.652 20 5 CDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCC1CC[NH2+]CC1 ZINC000120504393 345212949 /nfs/dbraw/zinc/21/29/49/345212949.db2.gz DSRUFSUZKGVNCV-UHFFFAOYSA-N 1 0 293.323 1.089 20 5 CDBDRO CC1(C)[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000129340222 345315140 /nfs/dbraw/zinc/31/51/40/345315140.db2.gz NYUVPWIMLDAMRB-OLZOCXBDSA-N 1 0 264.325 1.886 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000085373643 179042882 /nfs/dbraw/zinc/04/28/82/179042882.db2.gz RFADPDIHZDNRIC-NWDGAFQWSA-N 1 0 277.324 1.729 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000127615106 187320600 /nfs/dbraw/zinc/32/06/00/187320600.db2.gz DTQVHMPVLIPABS-OLZOCXBDSA-N 1 0 289.335 1.490 20 5 CDBDRO C[N@H+](CCOC(C)(C)C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000611185434 346634004 /nfs/dbraw/zinc/63/40/04/346634004.db2.gz VYQFHDBWAHDBKR-UHFFFAOYSA-N 1 0 297.355 1.503 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(c2ncccc2[N+](=O)[O-])C[C@H]1C ZINC000611222043 346696482 /nfs/dbraw/zinc/69/64/82/346696482.db2.gz PWKFTLDEXJTQJU-GHMZBOCLSA-N 1 0 264.329 1.909 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CN(C)CCO1 ZINC000611336966 346751324 /nfs/dbraw/zinc/75/13/24/346751324.db2.gz UNNRTDOLHPCPLL-YWPYICTPSA-N 1 0 293.367 1.965 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]([NH3+])C1CC1 ZINC000129336771 362791990 /nfs/dbraw/zinc/79/19/90/362791990.db2.gz WIXJRKZHPADYOQ-SECBINFHSA-N 1 0 253.306 1.269 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]([NH3+])C1CC1 ZINC000129336533 362792038 /nfs/dbraw/zinc/79/20/38/362792038.db2.gz WIXJRKZHPADYOQ-VIFPVBQESA-N 1 0 253.306 1.269 20 5 CDBDRO NC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000152838005 347621838 /nfs/dbraw/zinc/62/18/38/347621838.db2.gz NOLQJIRJLQMGNY-RYUDHWBXSA-N 1 0 289.335 1.926 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000128635393 187381514 /nfs/dbraw/zinc/38/15/14/187381514.db2.gz XFIVKZFPGLNAIN-GHMZBOCLSA-N 1 0 292.339 1.393 20 5 CDBDRO C[N@H+](CCNC(=O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000066924175 349005902 /nfs/dbraw/zinc/00/59/02/349005902.db2.gz SJBYWQOZQRXTLD-UHFFFAOYSA-N 1 0 293.323 1.184 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000251251485 350069017 /nfs/dbraw/zinc/06/90/17/350069017.db2.gz JBENYCSBCMSASW-WOPDTQHZSA-N 1 0 261.325 1.807 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000090552192 180002796 /nfs/dbraw/zinc/00/27/96/180002796.db2.gz GIBQJJLUTWOYRJ-VXGBXAGGSA-N 1 0 277.324 1.488 20 5 CDBDRO COCC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000105832055 186077121 /nfs/dbraw/zinc/07/71/21/186077121.db2.gz ZOWVYRXRVMRYLG-CYBMUJFWSA-N 1 0 293.367 1.747 20 5 CDBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000110791360 186324118 /nfs/dbraw/zinc/32/41/18/186324118.db2.gz FLKCPCSLBTYBKM-VIFPVBQESA-N 1 0 266.301 1.042 20 5 CDBDRO Cc1c(NC(=O)[C@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000078653616 350838598 /nfs/dbraw/zinc/83/85/98/350838598.db2.gz HIDKSMJFRQBMIJ-VIFPVBQESA-N 1 0 251.286 1.792 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000122298460 187025293 /nfs/dbraw/zinc/02/52/93/187025293.db2.gz CNBDLWHPGGKOAP-LLVKDONJSA-N 1 0 263.297 1.087 20 5 CDBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)CC1(O)CCOCC1 ZINC000123173324 187075951 /nfs/dbraw/zinc/07/59/51/187075951.db2.gz HERXWSCZIRHTQH-UHFFFAOYSA-N 1 0 280.324 1.568 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000122552462 187038126 /nfs/dbraw/zinc/03/81/26/187038126.db2.gz IRIAARYKDUYODM-UHFFFAOYSA-N 1 0 271.342 1.904 20 5 CDBDRO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000122657747 187044148 /nfs/dbraw/zinc/04/41/48/187044148.db2.gz PZYZWPSASVMKED-IUCAKERBSA-N 1 0 281.287 1.556 20 5 CDBDRO O=[N+]([O-])c1c(NC[C@H]2COCC[NH2+]2)ccc2ncccc21 ZINC000236415922 363161910 /nfs/dbraw/zinc/16/19/10/363161910.db2.gz CABHLKVMGKGXRH-JTQLQIEISA-N 1 0 288.307 1.543 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000137113115 187893778 /nfs/dbraw/zinc/89/37/78/187893778.db2.gz BXHAZQKSJNOAEX-TXEJJXNPSA-N 1 0 275.308 1.195 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000147938921 187914862 /nfs/dbraw/zinc/91/48/62/187914862.db2.gz UQNMYAXFHCNRSD-NSHDSACASA-N 1 0 263.297 1.337 20 5 CDBDRO Cc1ccoc1C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000292432512 198285964 /nfs/dbraw/zinc/28/59/64/198285964.db2.gz WFRXQNJLHHJXOK-GFCCVEGCSA-N 1 0 294.311 1.186 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000157312303 188309964 /nfs/dbraw/zinc/30/99/64/188309964.db2.gz ZRSIYNYFMXXXKN-UHFFFAOYSA-N 1 0 260.297 1.923 20 5 CDBDRO CCOC(=O)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157331259 188311177 /nfs/dbraw/zinc/31/11/77/188311177.db2.gz SZRCBPQSGKICDV-UHFFFAOYSA-N 1 0 296.327 1.066 20 5 CDBDRO CSc1cccc(C(=O)N(C)C[C@H]2CC[NH2+]2)c1[N+](=O)[O-] ZINC001579393426 1172165939 /nfs/dbraw/zinc/16/59/39/1172165939.db2.gz UJHVALMOCXCWDR-SECBINFHSA-N 1 0 295.364 1.751 20 5 CDBDRO C[C@@H](CN1CCOCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000036932578 363293841 /nfs/dbraw/zinc/29/38/41/363293841.db2.gz VHRVLCYYTRHVLB-LBPRGKRZSA-N 1 0 279.340 1.405 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH2+]CC1 ZINC000037029614 363314521 /nfs/dbraw/zinc/31/45/21/363314521.db2.gz INVWLXXSRHHPQU-UHFFFAOYSA-N 1 0 263.297 1.841 20 5 CDBDRO C[C@@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)C[C@H]1[NH3+] ZINC001579444494 1172181211 /nfs/dbraw/zinc/18/12/11/1172181211.db2.gz PNAKXYDTJFJNFT-GMSGAONNSA-N 1 0 269.276 1.010 20 5 CDBDRO Cc1nc(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC000577833975 356065064 /nfs/dbraw/zinc/06/50/64/356065064.db2.gz ZBZONIHICZVULD-VXGBXAGGSA-N 1 0 291.355 1.519 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCN(Cc3ccncc3)CC2)nc1 ZINC000022807717 356203404 /nfs/dbraw/zinc/20/34/04/356203404.db2.gz ABDJTLMKOKHBLE-UHFFFAOYSA-N 1 0 299.334 1.707 20 5 CDBDRO C[C@H](CCCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000336813566 356272128 /nfs/dbraw/zinc/27/21/28/356272128.db2.gz CSLDHYTVJSGIQT-SECBINFHSA-N 1 0 268.317 1.181 20 5 CDBDRO Cn1cnc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)n1 ZINC000336842735 356297439 /nfs/dbraw/zinc/29/74/39/356297439.db2.gz VEEQUTYYULZIMR-UHFFFAOYSA-N 1 0 279.275 1.195 20 5 CDBDRO CC[C@@H]([NH3+])c1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000229939093 356320569 /nfs/dbraw/zinc/32/05/69/356320569.db2.gz VWGCDMUQQKOIKE-GFCCVEGCSA-N 1 0 275.312 1.839 20 5 CDBDRO C[NH+](C)[C@]1(CNc2ncc([N+](=O)[O-])cn2)CCSC1 ZINC000273580253 192213974 /nfs/dbraw/zinc/21/39/74/192213974.db2.gz FOUWETCEXNVLOO-NSHDSACASA-N 1 0 283.357 1.234 20 5 CDBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c([N+](=O)[O-])ncn1C ZINC000360438323 357234564 /nfs/dbraw/zinc/23/45/64/357234564.db2.gz WUQVBKLZLFKFCZ-NEPJUHHUSA-N 1 0 293.371 1.387 20 5 CDBDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000185776831 357575619 /nfs/dbraw/zinc/57/56/19/357575619.db2.gz UHOQBVYJSWBMNE-GFCCVEGCSA-N 1 0 293.323 1.915 20 5 CDBDRO CCc1ccc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000186701325 357677802 /nfs/dbraw/zinc/67/78/02/357677802.db2.gz MLZBJIJWNHSCOX-GWCFXTLKSA-N 1 0 291.351 1.885 20 5 CDBDRO CC[C@@H](CO)[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000186525722 357658612 /nfs/dbraw/zinc/65/86/12/357658612.db2.gz OHGKAGBSRDPKEV-JTQLQIEISA-N 1 0 284.312 1.473 20 5 CDBDRO CCN(C)C(=O)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000186811404 357694625 /nfs/dbraw/zinc/69/46/25/357694625.db2.gz QHQLLBFQJYCSCH-LBPRGKRZSA-N 1 0 293.367 1.984 20 5 CDBDRO C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000360882353 357730815 /nfs/dbraw/zinc/73/08/15/357730815.db2.gz DMDVMOUPLZQVPV-UBHSHLNASA-N 1 0 294.351 1.890 20 5 CDBDRO O=C(N[C@H]1C[C@@H]1C1CC[NH2+]CC1)c1csc([N+](=O)[O-])c1 ZINC000361096570 357797178 /nfs/dbraw/zinc/79/71/78/357797178.db2.gz MHTZIQNTJVXCFW-MNOVXSKESA-N 1 0 295.364 1.774 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000135236598 357810225 /nfs/dbraw/zinc/81/02/25/357810225.db2.gz AJUVXJUAOCNLSO-GWCFXTLKSA-N 1 0 277.324 1.713 20 5 CDBDRO CCCN(c1nc2sccn2c1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000071332811 283308499 /nfs/dbraw/zinc/30/84/99/283308499.db2.gz AIPCOFOAYLNASD-VIFPVBQESA-N 1 0 295.368 1.882 20 5 CDBDRO CC[C@]1(CO)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000189665433 358034118 /nfs/dbraw/zinc/03/41/18/358034118.db2.gz MOIWQBKVDCHZIL-GFCCVEGCSA-N 1 0 268.317 1.028 20 5 CDBDRO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCOCCO ZINC000337558025 358084784 /nfs/dbraw/zinc/08/47/84/358084784.db2.gz YJWUNYAPWNISBG-XQRVVYSFSA-N 1 0 280.324 1.549 20 5 CDBDRO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)CC1CCC1 ZINC000361488086 358239021 /nfs/dbraw/zinc/23/90/21/358239021.db2.gz XNBJAURTDHFRQK-UHFFFAOYSA-N 1 0 252.318 1.950 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000094339281 366394936 /nfs/dbraw/zinc/39/49/36/366394936.db2.gz YFIHISNWFYOHTK-JQWIXIFHSA-N 1 0 277.324 1.713 20 5 CDBDRO COc1ccc(C[N@@H+]2C[C@H](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000361652604 358403152 /nfs/dbraw/zinc/40/31/52/358403152.db2.gz GHGSDRTVJKMFGX-JQWIXIFHSA-N 1 0 280.324 1.664 20 5 CDBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000361657639 358403325 /nfs/dbraw/zinc/40/33/25/358403325.db2.gz DDOBPDXNGPJMIM-CMPLNLGQSA-N 1 0 250.298 1.655 20 5 CDBDRO C[NH+](C)CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000120324319 358742265 /nfs/dbraw/zinc/74/22/65/358742265.db2.gz ANXHPRDDLLRQSY-UHFFFAOYSA-N 1 0 292.339 1.461 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000080388492 358883451 /nfs/dbraw/zinc/88/34/51/358883451.db2.gz QQVSNYCXQYSSCB-UHFFFAOYSA-N 1 0 269.276 1.368 20 5 CDBDRO C[C@H](NC(=O)CCCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000070202287 358924196 /nfs/dbraw/zinc/92/41/96/358924196.db2.gz IWBFKBUTZDEKMI-JTQLQIEISA-N 1 0 265.313 1.901 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000163346665 359065408 /nfs/dbraw/zinc/06/54/08/359065408.db2.gz XBTDVPAESAMTIH-NXEZZACHSA-N 1 0 263.297 1.404 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(N)=O)cc1[N+](=O)[O-] ZINC000035792703 359240905 /nfs/dbraw/zinc/24/09/05/359240905.db2.gz ZKUFQGKVEBSZSL-RKDXNWHRSA-N 1 0 251.286 1.428 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000050246051 359408067 /nfs/dbraw/zinc/40/80/67/359408067.db2.gz TYVDEBIORHQZCA-JTQLQIEISA-N 1 0 263.297 1.324 20 5 CDBDRO [NH3+]C1(C(=O)NCc2ccccc2[N+](=O)[O-])CCCC1 ZINC000050015932 359561681 /nfs/dbraw/zinc/56/16/81/359561681.db2.gz YABGFDFUZDDVFS-UHFFFAOYSA-N 1 0 263.297 1.483 20 5 CDBDRO COc1cc(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)ccc1[N+](=O)[O-] ZINC000297459867 200197384 /nfs/dbraw/zinc/19/73/84/200197384.db2.gz XIEAPKRTMYMDFW-MWLCHTKSSA-N 1 0 293.323 1.555 20 5 CDBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000176358179 360204405 /nfs/dbraw/zinc/20/44/05/360204405.db2.gz AORDBAYDAFKIIE-SNVBAGLBSA-N 1 0 279.340 1.717 20 5 CDBDRO Cc1cccc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000235659217 360233603 /nfs/dbraw/zinc/23/36/03/360233603.db2.gz UJYLBYCDUNKQAL-GXSJLCMTSA-N 1 0 263.297 1.322 20 5 CDBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCS1 ZINC000177508243 189054569 /nfs/dbraw/zinc/05/45/69/189054569.db2.gz PBUWPKDKXABGHR-UHFFFAOYSA-N 1 0 270.358 1.619 20 5 CDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCCC[NH2+]1 ZINC000177942212 189080826 /nfs/dbraw/zinc/08/08/26/189080826.db2.gz CBOHODOVCMGEOY-GFCCVEGCSA-N 1 0 292.339 1.265 20 5 CDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000178341065 189108640 /nfs/dbraw/zinc/10/86/40/189108640.db2.gz ZSQCRVOOOSYPRY-GFCCVEGCSA-N 1 0 280.324 1.942 20 5 CDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C)[NH3+] ZINC000211772590 360832478 /nfs/dbraw/zinc/83/24/78/360832478.db2.gz BNQPIZYSSXVRFY-SNVBAGLBSA-N 1 0 265.313 1.679 20 5 CDBDRO CCc1ccc(C(=O)N(C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000179202289 189176737 /nfs/dbraw/zinc/17/67/37/189176737.db2.gz UMNMLTYAMHTFSG-VIFPVBQESA-N 1 0 265.313 1.576 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000572522415 361072937 /nfs/dbraw/zinc/07/29/37/361072937.db2.gz BZGIJFFGIOFIAP-IUCAKERBSA-N 1 0 296.327 1.851 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[NH+](C)C ZINC000180700898 189270615 /nfs/dbraw/zinc/27/06/15/189270615.db2.gz CJFIZJBRDKBHHM-UHFFFAOYSA-N 1 0 280.328 1.895 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[NH2+]1 ZINC000053253686 361403483 /nfs/dbraw/zinc/40/34/83/361403483.db2.gz LVUYJFWYZXUZSN-LLVKDONJSA-N 1 0 263.297 1.006 20 5 CDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[NH2+]1 ZINC000053253675 361403515 /nfs/dbraw/zinc/40/35/15/361403515.db2.gz AOMCUVWORDESAD-SYTKJHMZSA-N 1 0 275.308 1.476 20 5 CDBDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000168136133 363834552 /nfs/dbraw/zinc/83/45/52/363834552.db2.gz BZRZDKWNTAPCMI-SSDOTTSWSA-N 1 0 271.704 1.602 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000237456397 364008242 /nfs/dbraw/zinc/00/82/42/364008242.db2.gz HDQORRILFKWLFI-CMPLNLGQSA-N 1 0 277.324 1.690 20 5 CDBDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000168166713 363969706 /nfs/dbraw/zinc/96/97/06/363969706.db2.gz APWHNVFIKLJWMZ-XLFHBGCDSA-N 1 0 256.327 1.451 20 5 CDBDRO C[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000124314600 364058546 /nfs/dbraw/zinc/05/85/46/364058546.db2.gz GNWNHBBEZSTSMV-UHFFFAOYSA-N 1 0 295.314 1.487 20 5 CDBDRO CC[C@@H](COC)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000581998240 364060369 /nfs/dbraw/zinc/06/03/69/364060369.db2.gz AQVDQIAQEIWOIQ-RYUDHWBXSA-N 1 0 298.339 1.349 20 5 CDBDRO COC[C@@H](CCO)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223951830 370746202 /nfs/dbraw/zinc/74/62/02/370746202.db2.gz MJGFJBAZUSMAEW-DGCLKSJQSA-N 1 0 282.340 1.951 20 5 CDBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])s2)CCOCC1 ZINC000190328995 189560779 /nfs/dbraw/zinc/56/07/79/189560779.db2.gz AGJSBOHVZVJVGF-UHFFFAOYSA-N 1 0 286.357 1.574 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000212101240 364605847 /nfs/dbraw/zinc/60/58/47/364605847.db2.gz UKSMLCCQWBCCIW-MEQVVJDKSA-N 1 0 275.308 1.428 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCOCCO)CCC2 ZINC000192612056 189625716 /nfs/dbraw/zinc/62/57/16/189625716.db2.gz PUBFGOVOOBGMAE-AWEZNQCLSA-N 1 0 280.324 1.571 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](CO)C1CCCCC1 ZINC000541056205 364868637 /nfs/dbraw/zinc/86/86/37/364868637.db2.gz ZMTXZNRFPJWENU-NSHDSACASA-N 1 0 282.344 1.359 20 5 CDBDRO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000351813695 365000971 /nfs/dbraw/zinc/00/09/71/365000971.db2.gz HYOOUMFKVZYADL-GWCFXTLKSA-N 1 0 266.297 1.286 20 5 CDBDRO C[C@H]([NH2+]CCCOCCO)c1ccc([N+](=O)[O-])cc1 ZINC000180238519 365003819 /nfs/dbraw/zinc/00/38/19/365003819.db2.gz FDOLPYGCBAVOTF-NSHDSACASA-N 1 0 268.313 1.644 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH2+]CC1 ZINC000414665331 241309336 /nfs/dbraw/zinc/30/93/36/241309336.db2.gz VGASCPSCSHJLDI-UHFFFAOYSA-N 1 0 264.285 1.340 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000269134938 367322151 /nfs/dbraw/zinc/32/21/51/367322151.db2.gz PXARUAVGSNQTMK-VIFPVBQESA-N 1 0 279.296 1.037 20 5 CDBDRO COCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCC[C@H]1C ZINC000487981082 367646418 /nfs/dbraw/zinc/64/64/18/367646418.db2.gz NGGHZFOVWGEWJT-VXGBXAGGSA-N 1 0 296.371 1.965 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417127282 242329628 /nfs/dbraw/zinc/32/96/28/242329628.db2.gz FRROTNATRVTYMD-BDAKNGLRSA-N 1 0 266.301 1.302 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\CNC[C@@H]1CCC[NH2+]1 ZINC000414853891 367667918 /nfs/dbraw/zinc/66/79/18/367667918.db2.gz YMNLLDNWYXYBMU-RJNRQISESA-N 1 0 261.325 1.950 20 5 CDBDRO COC[C@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])OC ZINC000272638279 367785327 /nfs/dbraw/zinc/78/53/27/367785327.db2.gz CBFJHXSNKLHEAL-IYNGYCSASA-N 1 0 280.324 1.859 20 5 CDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000269177015 367843807 /nfs/dbraw/zinc/84/38/07/367843807.db2.gz ISQZXKIEJCULGQ-PWSUYJOCSA-N 1 0 292.339 1.479 20 5 CDBDRO C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000269196234 367920772 /nfs/dbraw/zinc/92/07/72/367920772.db2.gz LNHPDTMCIAZHTL-ONGXEEELSA-N 1 0 292.339 1.295 20 5 CDBDRO C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000269205929 367929943 /nfs/dbraw/zinc/92/99/43/367929943.db2.gz LURPHDZODWPXDD-SMDDNHRTSA-N 1 0 291.351 1.723 20 5 CDBDRO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000269205928 367933112 /nfs/dbraw/zinc/93/31/12/367933112.db2.gz LURPHDZODWPXDD-RISCZKNCSA-N 1 0 291.351 1.723 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000269232590 367971590 /nfs/dbraw/zinc/97/15/90/367971590.db2.gz AUPUDKILQJTHHE-GFCCVEGCSA-N 1 0 281.312 1.073 20 5 CDBDRO C[NH2+]CCCC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000269273705 368134951 /nfs/dbraw/zinc/13/49/51/368134951.db2.gz YGPZNMNAVAZWCB-UHFFFAOYSA-N 1 0 281.312 1.219 20 5 CDBDRO CC(C)(NC(=O)NCCCC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000418535173 243189051 /nfs/dbraw/zinc/18/90/51/243189051.db2.gz YOFGSSYICGSHJF-UHFFFAOYSA-N 1 0 294.355 1.868 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000089091153 368858918 /nfs/dbraw/zinc/85/89/18/368858918.db2.gz ASZOXOMMKIZYAT-GXFFZTMASA-N 1 0 277.324 1.760 20 5 CDBDRO C[C@H](C[NH3+])N(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420286178 244027141 /nfs/dbraw/zinc/02/71/41/244027141.db2.gz FTQMLVQKPOQFKB-SNVBAGLBSA-N 1 0 280.328 1.202 20 5 CDBDRO Cc1nc(N[C@@H]2CC[C@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000420273248 244008378 /nfs/dbraw/zinc/00/83/78/244008378.db2.gz LVRZGFFNYGUQIG-DTWKUNHWSA-N 1 0 251.290 1.233 20 5 CDBDRO Cc1nc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000420274816 244012417 /nfs/dbraw/zinc/01/24/17/244012417.db2.gz KFWUYCZWOWJNJD-PRHODGIISA-N 1 0 265.317 1.114 20 5 CDBDRO Cc1nc(NC[C@@H]2CCC[C@@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000420280762 244017356 /nfs/dbraw/zinc/01/73/56/244017356.db2.gz LJEAUTNRLHKKEO-NXEZZACHSA-N 1 0 265.317 1.045 20 5 CDBDRO Cc1nc(NC[C@@H]2CCC[C@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000420280775 244018128 /nfs/dbraw/zinc/01/81/28/244018128.db2.gz LJEAUTNRLHKKEO-ZJUUUORDSA-N 1 0 265.317 1.045 20 5 CDBDRO C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000420330758 244096993 /nfs/dbraw/zinc/09/69/93/244096993.db2.gz BRNQCJAZCFIURT-LLVKDONJSA-N 1 0 265.313 1.267 20 5 CDBDRO C[NH2+]CCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000420335766 244104602 /nfs/dbraw/zinc/10/46/02/244104602.db2.gz IXLAVQBZSIWDLS-UHFFFAOYSA-N 1 0 294.355 1.383 20 5 CDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](C)C1 ZINC000420342669 244115719 /nfs/dbraw/zinc/11/57/19/244115719.db2.gz XSHVHWNDSWIDAM-WDEREUQCSA-N 1 0 292.339 1.216 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](C2CC2)C2CCCC2)c1 ZINC000075718739 369445770 /nfs/dbraw/zinc/44/57/70/369445770.db2.gz YNXXZPIUEMXBIN-AWEZNQCLSA-N 1 0 294.355 1.559 20 5 CDBDRO Cc1c(CC(=O)N[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000422726781 245182357 /nfs/dbraw/zinc/18/23/57/245182357.db2.gz FWLXZVXGIHYTSA-LBPRGKRZSA-N 1 0 277.324 1.314 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]([NH3+])CC ZINC000414973062 371196938 /nfs/dbraw/zinc/19/69/38/371196938.db2.gz BQDKRUXXWDBWSZ-LLVKDONJSA-N 1 0 267.329 1.820 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235430026 189828076 /nfs/dbraw/zinc/82/80/76/189828076.db2.gz JNJKNGLWAKQCJH-ZYHUDNBSSA-N 1 0 277.324 1.394 20 5 CDBDRO NC(=O)C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000367983043 371268551 /nfs/dbraw/zinc/26/85/51/371268551.db2.gz MRFFHOFUXJYCFC-NSHDSACASA-N 1 0 293.323 1.171 20 5 CDBDRO CC[C@H](O)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000293788259 372784304 /nfs/dbraw/zinc/78/43/04/372784304.db2.gz UGQGLWNVKTUMAQ-MFKMUULPSA-N 1 0 295.339 1.672 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000238058075 189898233 /nfs/dbraw/zinc/89/82/33/189898233.db2.gz RLONDOLZHXRCFS-GFCCVEGCSA-N 1 0 292.339 1.250 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000049096277 372909213 /nfs/dbraw/zinc/90/92/13/372909213.db2.gz VOISDGGOUGDFGE-GFCCVEGCSA-N 1 0 277.324 1.348 20 5 CDBDRO COCC[N@H+](CCO)Cc1cccc([N+](=O)[O-])c1 ZINC000164288146 373030534 /nfs/dbraw/zinc/03/05/34/373030534.db2.gz MQHUOPIVLHHZDC-UHFFFAOYSA-N 1 0 254.286 1.036 20 5 CDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCn2cncc2C1 ZINC000368316667 373158539 /nfs/dbraw/zinc/15/85/39/373158539.db2.gz LZBXZWPRFYQKQZ-UHFFFAOYSA-N 1 0 290.254 1.586 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[N@H+](CC)CC1 ZINC000619480935 374124821 /nfs/dbraw/zinc/12/48/21/374124821.db2.gz OIWUYUHETGALHL-UHFFFAOYSA-N 1 0 281.360 1.652 20 5 CDBDRO C[C@H](NC(=O)N1CC[NH2+][C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000418237094 374258940 /nfs/dbraw/zinc/25/89/40/374258940.db2.gz VMFNCPLDUSCCCU-QWRGUYRKSA-N 1 0 292.339 1.659 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H](O)C2)cc1 ZINC000113503708 374262059 /nfs/dbraw/zinc/26/20/59/374262059.db2.gz UOTNYVQIMHAYFV-NSHDSACASA-N 1 0 252.270 1.040 20 5 CDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000225345063 374243416 /nfs/dbraw/zinc/24/34/16/374243416.db2.gz XRSUNSGSIQXGQG-JTQLQIEISA-N 1 0 282.319 1.392 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000066137734 374304853 /nfs/dbraw/zinc/30/48/53/374304853.db2.gz XGUKMEJKUOWFIG-SNVBAGLBSA-N 1 0 294.355 1.637 20 5 CDBDRO COc1ccc(CN[C@H](C)[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422949287 374363557 /nfs/dbraw/zinc/36/35/57/374363557.db2.gz UUNQORMQDXQFGP-PWSUYJOCSA-N 1 0 279.340 1.834 20 5 CDBDRO CCC[NH2+][C@@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000423817326 246113451 /nfs/dbraw/zinc/11/34/51/246113451.db2.gz YVMPJPRDPNGAPH-NSHDSACASA-N 1 0 279.340 1.908 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C)C[NH3+] ZINC000423460330 374382918 /nfs/dbraw/zinc/38/29/18/374382918.db2.gz RWWZQDXLVPVIBD-MRVPVSSYSA-N 1 0 265.313 1.536 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)CC[NH3+] ZINC000423502857 374385613 /nfs/dbraw/zinc/38/56/13/374385613.db2.gz FGKHENBGEGSQHH-SNVBAGLBSA-N 1 0 265.313 1.679 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000079928678 374430891 /nfs/dbraw/zinc/43/08/91/374430891.db2.gz QSTOWQXVLXNJLT-KOLCDFICSA-N 1 0 263.297 1.524 20 5 CDBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)CC[NH3+])cc1SC ZINC000424001220 246281677 /nfs/dbraw/zinc/28/16/77/246281677.db2.gz GRUXCPVKEHZTGR-UHFFFAOYSA-N 1 0 299.352 1.356 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[NH3+])c1 ZINC000424011530 246288948 /nfs/dbraw/zinc/28/89/48/246288948.db2.gz QVNKHYQWWUVHDL-UHFFFAOYSA-N 1 0 269.326 1.347 20 5 CDBDRO Cc1c(CC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000424218986 246392954 /nfs/dbraw/zinc/39/29/54/246392954.db2.gz YMGHECQGZCGPBB-CHWSQXEVSA-N 1 0 291.351 1.832 20 5 CDBDRO NC(=O)C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000377605029 374612835 /nfs/dbraw/zinc/61/28/35/374612835.db2.gz KFIYPJLLMDIEJG-SECBINFHSA-N 1 0 297.742 1.946 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000274415365 374673751 /nfs/dbraw/zinc/67/37/51/374673751.db2.gz JXQUFCYNLLWNRZ-SECBINFHSA-N 1 0 265.313 1.336 20 5 CDBDRO Cc1nn(C[C@@H](O)C[N@@H+](C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000388842987 374695203 /nfs/dbraw/zinc/69/52/03/374695203.db2.gz YFVMOFZYZWXEIZ-NSHDSACASA-N 1 0 270.333 1.109 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)CC[NH+](C)C ZINC000277670565 374800954 /nfs/dbraw/zinc/80/09/54/374800954.db2.gz XNFMLOKJYKQDIL-JTQLQIEISA-N 1 0 295.339 1.673 20 5 CDBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(N)c1F)[NH+](C)C ZINC000277214724 374777675 /nfs/dbraw/zinc/77/76/75/374777675.db2.gz ZNHDQOYIZDNKNK-ZETCQYMHSA-N 1 0 256.281 1.678 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCCC[N@@H+]2C2CC2)nc1 ZINC000277336373 374782413 /nfs/dbraw/zinc/78/24/13/374782413.db2.gz FEMSIHQNCHGFJO-LLVKDONJSA-N 1 0 277.328 1.814 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000277386120 374784050 /nfs/dbraw/zinc/78/40/50/374784050.db2.gz DAOQQKSTOFNWCL-ZYHUDNBSSA-N 1 0 277.324 1.631 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000277386114 374786513 /nfs/dbraw/zinc/78/65/13/374786513.db2.gz DAOQQKSTOFNWCL-JQWIXIFHSA-N 1 0 277.324 1.631 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000277453151 374787671 /nfs/dbraw/zinc/78/76/71/374787671.db2.gz GQQSXECXAXXLLY-ZOUVEMKTSA-N 1 0 289.335 1.817 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)COCC2CC2)cc1 ZINC000037894565 374963895 /nfs/dbraw/zinc/96/38/95/374963895.db2.gz UMOUFTFYHQLSST-CQSZACIVSA-N 1 0 280.324 1.472 20 5 CDBDRO C[C@]1(O)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000280119909 374981509 /nfs/dbraw/zinc/98/15/09/374981509.db2.gz PXVZIWXBHJHURF-LBPRGKRZSA-N 1 0 268.317 1.028 20 5 CDBDRO [NH3+][C@@H]1CC[C@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])C[C@H]12 ZINC000351482128 375301586 /nfs/dbraw/zinc/30/15/86/375301586.db2.gz YYPPHNQHDWTACG-OUJBWJOFSA-N 1 0 279.315 1.903 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493447680 375454208 /nfs/dbraw/zinc/45/42/08/375454208.db2.gz GUPYICHPUFXKEJ-STUBTGCMSA-N 1 0 295.314 1.991 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000227503129 375546571 /nfs/dbraw/zinc/54/65/71/375546571.db2.gz VXHFFBNZXSWRPE-WDEREUQCSA-N 1 0 264.329 1.862 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCCC[C@H]1O ZINC000305810562 375659441 /nfs/dbraw/zinc/65/94/41/375659441.db2.gz LZFRCEMZGKYSLR-DGCLKSJQSA-N 1 0 282.344 1.274 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@](C)(O)C[NH+](C)C ZINC000132934896 375642358 /nfs/dbraw/zinc/64/23/58/375642358.db2.gz PISAURNBTJRBNN-CYBMUJFWSA-N 1 0 267.329 1.628 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H]1CN(C)C(=O)O1)c1ccccc1[N+](=O)[O-] ZINC000496250472 375725834 /nfs/dbraw/zinc/72/58/34/375725834.db2.gz AQUQWPZPJRNOGX-NXEZZACHSA-N 1 0 279.296 1.696 20 5 CDBDRO [NH3+]CC1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000428815514 247367675 /nfs/dbraw/zinc/36/76/75/247367675.db2.gz JQXIOLPQZMQRFX-UHFFFAOYSA-N 1 0 293.323 1.171 20 5 CDBDRO Cc1nc(N2CC[NH+](CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000134104729 375911312 /nfs/dbraw/zinc/91/13/12/375911312.db2.gz VPDPAPRUVSGDFX-UHFFFAOYSA-N 1 0 294.355 1.191 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261716324 190042942 /nfs/dbraw/zinc/04/29/42/190042942.db2.gz PPCKKHAWMJGPKG-VXGBXAGGSA-N 1 0 289.335 1.585 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261728093 190043179 /nfs/dbraw/zinc/04/31/79/190043179.db2.gz QXMPFJZAHKLQOZ-OCCSQVGLSA-N 1 0 289.335 1.348 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000261765218 190043841 /nfs/dbraw/zinc/04/38/41/190043841.db2.gz VKICUHFLRVFLHB-OLZOCXBDSA-N 1 0 289.335 1.585 20 5 CDBDRO CCCN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1CC[NH2+]C1 ZINC000261993877 190046670 /nfs/dbraw/zinc/04/66/70/190046670.db2.gz NEBAYXVSOXNSRH-NSHDSACASA-N 1 0 292.339 1.391 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000262777535 190062664 /nfs/dbraw/zinc/06/26/64/190062664.db2.gz LXDIAAWUNLJDOY-ZWNOBZJWSA-N 1 0 277.324 1.252 20 5 CDBDRO Cc1cc(C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000262811171 190063710 /nfs/dbraw/zinc/06/37/10/190063710.db2.gz QYNHUCJXYWEYEK-WDEREUQCSA-N 1 0 277.324 1.726 20 5 CDBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000073991931 376748483 /nfs/dbraw/zinc/74/84/83/376748483.db2.gz NJLKQIBSROPAEZ-NWDGAFQWSA-N 1 0 289.335 1.904 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435229882 248158426 /nfs/dbraw/zinc/15/84/26/248158426.db2.gz MJZVQMQBKVDDGC-CQSZACIVSA-N 1 0 289.335 1.490 20 5 CDBDRO [NH3+]CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(F)F ZINC000383482535 377479405 /nfs/dbraw/zinc/47/94/05/377479405.db2.gz UWCMTNYCAVEUPT-SECBINFHSA-N 1 0 273.239 1.307 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1(CO)CCOCC1 ZINC000265201005 190165527 /nfs/dbraw/zinc/16/55/27/190165527.db2.gz AUMSCEAOYFZALL-HWKANZROSA-N 1 0 292.335 1.739 20 5 CDBDRO Cc1ccn(CCC[NH+]2CCCC2)c(=O)c1[N+](=O)[O-] ZINC000347697755 377856014 /nfs/dbraw/zinc/85/60/14/377856014.db2.gz QOUOOASGAHIXAA-UHFFFAOYSA-N 1 0 265.313 1.551 20 5 CDBDRO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C)C1 ZINC000173306779 378123241 /nfs/dbraw/zinc/12/32/41/378123241.db2.gz SAOXFUBZTSJZEE-AWEZNQCLSA-N 1 0 291.351 1.690 20 5 CDBDRO CN(c1ccc([N+](=O)[O-])cn1)[C@H]1CCC[N@H+](C)C1 ZINC000266061603 190227392 /nfs/dbraw/zinc/22/73/92/190227392.db2.gz ZHPPTKCHPQLTNT-NSHDSACASA-N 1 0 250.302 1.520 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000040602190 378440397 /nfs/dbraw/zinc/44/03/97/378440397.db2.gz WKCMSDRKBKTAAL-SNVBAGLBSA-N 1 0 250.302 1.426 20 5 CDBDRO C[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000173483638 378476770 /nfs/dbraw/zinc/47/67/70/378476770.db2.gz ICTGMEZSUPCSEI-LLVKDONJSA-N 1 0 291.351 1.736 20 5 CDBDRO CCC[N@H+](CCO)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173528037 378526158 /nfs/dbraw/zinc/52/61/58/378526158.db2.gz OFQQXIREXRRYIF-UHFFFAOYSA-N 1 0 298.339 1.687 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CN(C)CCO1 ZINC000173612181 378716210 /nfs/dbraw/zinc/71/62/10/378716210.db2.gz SGKJCZRTUVLSAF-CYBMUJFWSA-N 1 0 293.323 1.481 20 5 CDBDRO C[C@@H](NC(=O)C(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000040922815 378976514 /nfs/dbraw/zinc/97/65/14/378976514.db2.gz GBRHSVUGMYXEPX-MRVPVSSYSA-N 1 0 251.286 1.509 20 5 CDBDRO CCc1n[nH]c(C(=O)N2CC[N@H+](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000444273218 250114554 /nfs/dbraw/zinc/11/45/54/250114554.db2.gz ZUGGVQULBIVZGY-VIFPVBQESA-N 1 0 295.343 1.047 20 5 CDBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000278750854 194136946 /nfs/dbraw/zinc/13/69/46/194136946.db2.gz WKPIKRUXJYWXHY-KBPBESRZSA-N 1 0 280.324 1.878 20 5 CDBDRO C[C@H](CCO)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447527916 250381406 /nfs/dbraw/zinc/38/14/06/250381406.db2.gz HJPGKTOKNLUKES-AGIUHOORSA-N 1 0 296.371 1.883 20 5 CDBDRO COCC[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000266838199 190283642 /nfs/dbraw/zinc/28/36/42/190283642.db2.gz KQYJSVGYZNDMLS-UHFFFAOYSA-N 1 0 294.355 1.821 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000267379657 190325846 /nfs/dbraw/zinc/32/58/46/190325846.db2.gz AQYIZTVTMOVTLX-LLVKDONJSA-N 1 0 290.327 1.394 20 5 CDBDRO COC[C@@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])OC ZINC000449234811 250756713 /nfs/dbraw/zinc/75/67/13/250756713.db2.gz RHJVRBTWFLCFQH-WCQYABFASA-N 1 0 282.340 1.777 20 5 CDBDRO CC1(C)C[C@H]([NH2+]CCOCCO)c2cc([N+](=O)[O-])ccc21 ZINC000279227461 194342974 /nfs/dbraw/zinc/34/29/74/194342974.db2.gz ZONRKAIUYMWZTQ-AWEZNQCLSA-N 1 0 294.351 1.916 20 5 CDBDRO O=[N+]([O-])c1c(N[C@H]2CC[NH2+]C2)ccc2ncccc21 ZINC000052093953 285079240 /nfs/dbraw/zinc/07/92/40/285079240.db2.gz WPRXFDKIPZCIQC-VIFPVBQESA-N 1 0 258.281 1.917 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H](CO)C[NH+]2CCCCC2)c(F)c1 ZINC000288882651 197185359 /nfs/dbraw/zinc/18/53/59/197185359.db2.gz GTGGQIYENWKTQJ-LLVKDONJSA-N 1 0 297.330 1.993 20 5 CDBDRO COCC[C@@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000281750625 390348166 /nfs/dbraw/zinc/34/81/66/390348166.db2.gz VYRZGOHNVCNJHS-RYUDHWBXSA-N 1 0 282.340 1.951 20 5 CDBDRO CCc1nn(C)c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000158380540 390682845 /nfs/dbraw/zinc/68/28/45/390682845.db2.gz XQUQXUHNOGWLPB-GHMZBOCLSA-N 1 0 293.371 1.929 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000286915157 390815089 /nfs/dbraw/zinc/81/50/89/390815089.db2.gz HYBDAHWUYKBJGW-JTQLQIEISA-N 1 0 294.355 1.341 20 5 CDBDRO COCC[NH2+]CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423322616 390825709 /nfs/dbraw/zinc/82/57/09/390825709.db2.gz NYICFOSHYKATRI-LLVKDONJSA-N 1 0 267.329 1.481 20 5 CDBDRO [NH3+]C[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CCO1 ZINC000165814181 390834766 /nfs/dbraw/zinc/83/47/66/390834766.db2.gz BRJCERGKPOXDHH-JTQLQIEISA-N 1 0 288.307 1.307 20 5 CDBDRO [NH3+]C1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000237864166 391014393 /nfs/dbraw/zinc/01/43/93/391014393.db2.gz FQUYKFWZMOEYHY-UHFFFAOYSA-N 1 0 292.339 1.347 20 5 CDBDRO C[C@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411425723 390966552 /nfs/dbraw/zinc/96/65/52/390966552.db2.gz ORMKZBCUPXJJHK-GXFFZTMASA-N 1 0 293.323 1.379 20 5 CDBDRO COC[C@H]1CCCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000452034677 390980828 /nfs/dbraw/zinc/98/08/28/390980828.db2.gz FCYXSNZMRKBVOA-SNVBAGLBSA-N 1 0 268.317 1.329 20 5 CDBDRO C[NH+](C)C[C@@H](O)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332658213 390985443 /nfs/dbraw/zinc/98/54/43/390985443.db2.gz ANYMILRONJOGMK-ZFWWWQNUSA-N 1 0 293.367 1.484 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000150845306 391046663 /nfs/dbraw/zinc/04/66/63/391046663.db2.gz GFGSSVBDYRPVNB-VIFPVBQESA-N 1 0 263.297 1.339 20 5 CDBDRO CN(CC[NH+]1CCCC1)c1ncc([N+](=O)[O-])cc1F ZINC000413121072 391159704 /nfs/dbraw/zinc/15/97/04/391159704.db2.gz UIPKGTCBUBNGKA-UHFFFAOYSA-N 1 0 268.292 1.661 20 5 CDBDRO Cc1cnc(N2CCC[N@@H+]([C@@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000344989229 391334879 /nfs/dbraw/zinc/33/48/79/391334879.db2.gz NXSOHWRIEVMYDN-LBPRGKRZSA-N 1 0 294.355 1.191 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000415502722 391467713 /nfs/dbraw/zinc/46/77/13/391467713.db2.gz NRIRAKOZNSPLHO-SECBINFHSA-N 1 0 264.285 1.468 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415628034 391469746 /nfs/dbraw/zinc/46/97/46/391469746.db2.gz DGTBMUZEJUJFCN-MRVPVSSYSA-N 1 0 284.291 1.983 20 5 CDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000415630894 391470388 /nfs/dbraw/zinc/47/03/88/391470388.db2.gz MAJPJHKXERVVOZ-UHFFFAOYSA-N 1 0 268.248 1.171 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[NH3+] ZINC000415649265 391470496 /nfs/dbraw/zinc/47/04/96/391470496.db2.gz DAAHCSABCDAOND-UHFFFAOYSA-N 1 0 282.300 1.416 20 5 CDBDRO Cc1cc(NC(=O)NCCCC[NH3+])ccc1[N+](=O)[O-] ZINC000415430275 391414565 /nfs/dbraw/zinc/41/45/65/391414565.db2.gz JHUCEZXNVQUEMM-UHFFFAOYSA-N 1 0 266.301 1.764 20 5 CDBDRO CCCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298038097 391709281 /nfs/dbraw/zinc/70/92/81/391709281.db2.gz GZBHRAAFIUXNJZ-UHFFFAOYSA-N 1 0 264.329 1.912 20 5 CDBDRO Nc1c(C(=O)NCC[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000238062223 391862234 /nfs/dbraw/zinc/86/22/34/391862234.db2.gz LYSNVDALSNABID-SNVBAGLBSA-N 1 0 292.339 1.297 20 5 CDBDRO CO[C@@H](C[NH3+])C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000574210041 391876976 /nfs/dbraw/zinc/87/69/76/391876976.db2.gz LNFDMGLJFBOPOG-ZDUSSCGKSA-N 1 0 293.323 1.060 20 5 CDBDRO COC[C@@H](CO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000353638254 391906002 /nfs/dbraw/zinc/90/60/02/391906002.db2.gz ARUDLUWFSFYQFW-QMTHXVAHSA-N 1 0 294.351 1.914 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000416305487 391985073 /nfs/dbraw/zinc/98/50/73/391985073.db2.gz XKBRZOYOXKQRPE-UHFFFAOYSA-N 1 0 281.287 1.558 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@](C)(C(N)=O)C(C)C ZINC000459493550 392446990 /nfs/dbraw/zinc/44/69/90/392446990.db2.gz ZKZXGLAFEWHNBY-AWEZNQCLSA-N 1 0 295.339 1.593 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000459748569 392503317 /nfs/dbraw/zinc/50/33/17/392503317.db2.gz DYGCUCJWQJRBHM-CORIIIEPSA-N 1 0 294.351 1.919 20 5 CDBDRO COc1cc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000153661987 392741357 /nfs/dbraw/zinc/74/13/57/392741357.db2.gz HFQZCJZRONLTEY-UWVGGRQHSA-N 1 0 293.323 1.426 20 5 CDBDRO O=C(C[C@@H]1CC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000129296604 392802540 /nfs/dbraw/zinc/80/25/40/392802540.db2.gz DPLZUQJSYZXYSV-NSHDSACASA-N 1 0 289.335 1.479 20 5 CDBDRO Cc1nc(NCC2(C)CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC000420224195 392906836 /nfs/dbraw/zinc/90/68/36/392906836.db2.gz ACOBLWXLBQQBKK-UHFFFAOYSA-N 1 0 265.317 1.495 20 5 CDBDRO COC(=O)c1cnc(NCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000420244874 392913444 /nfs/dbraw/zinc/91/34/44/392913444.db2.gz YTVBYHPCOXIJLQ-SNVBAGLBSA-N 1 0 294.311 1.330 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCc3nnnn3CC2)c1 ZINC000421403011 392934847 /nfs/dbraw/zinc/93/48/47/392934847.db2.gz WPPNLHXMPGZKFR-NSHDSACASA-N 1 0 288.311 1.076 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423689853 392966943 /nfs/dbraw/zinc/96/69/43/392966943.db2.gz ZRWUHBIFAUIAKG-VIFPVBQESA-N 1 0 288.307 1.610 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000423687708 392967088 /nfs/dbraw/zinc/96/70/88/392967088.db2.gz AFOOHWUADWEPPN-SNVBAGLBSA-N 1 0 299.277 1.630 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000194870780 392979965 /nfs/dbraw/zinc/97/99/65/392979965.db2.gz BPBINGRQCVCFOL-JTQLQIEISA-N 1 0 292.339 1.272 20 5 CDBDRO CC[C@]1(O)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000425913397 393031380 /nfs/dbraw/zinc/03/13/80/393031380.db2.gz GHWVQVHQAWFBAX-ZDUSSCGKSA-N 1 0 250.298 1.942 20 5 CDBDRO [NH3+][C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430605083 393103224 /nfs/dbraw/zinc/10/32/24/393103224.db2.gz PPKASNQRUWFVKZ-SNVBAGLBSA-N 1 0 251.286 1.007 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C[N@@H+]1C1CC1 ZINC000531005132 393057536 /nfs/dbraw/zinc/05/75/36/393057536.db2.gz DOKUCUZXAODXPM-NXEZZACHSA-N 1 0 292.339 1.288 20 5 CDBDRO C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000430964339 393108022 /nfs/dbraw/zinc/10/80/22/393108022.db2.gz DNLYADCXQXGUHJ-RYUDHWBXSA-N 1 0 279.340 1.656 20 5 CDBDRO C[C@H](CC(N)=O)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449184371 393130955 /nfs/dbraw/zinc/13/09/55/393130955.db2.gz HNUBECPEQUBIAO-NXEZZACHSA-N 1 0 265.313 1.379 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000449640504 393135860 /nfs/dbraw/zinc/13/58/60/393135860.db2.gz SGHVQTOIXQFGJA-DTWKUNHWSA-N 1 0 267.285 1.435 20 5 CDBDRO Cn1c(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000449638409 393137357 /nfs/dbraw/zinc/13/73/57/393137357.db2.gz KNOBFDFBUMVDOS-VHSXEESVSA-N 1 0 280.328 1.181 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000449747760 393141776 /nfs/dbraw/zinc/14/17/76/393141776.db2.gz JYGLVWWMCLHLFK-LBPRGKRZSA-N 1 0 293.323 1.230 20 5 CDBDRO [NH3+][C@H](CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000493752787 393220178 /nfs/dbraw/zinc/22/01/78/393220178.db2.gz KBFBSCSSNDRBBU-FVOPLDGLSA-N 1 0 293.298 1.601 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000493903828 393224785 /nfs/dbraw/zinc/22/47/85/393224785.db2.gz BCIHCVOHFOYUDE-UWVGGRQHSA-N 1 0 277.324 1.463 20 5 CDBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000275196751 135104459 /nfs/dbraw/zinc/10/44/59/135104459.db2.gz AIUIVIZJILYMRI-NEPJUHHUSA-N 1 0 279.340 1.486 20 5 CDBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000275336561 135105086 /nfs/dbraw/zinc/10/50/86/135105086.db2.gz GUZLISAGCICIGK-GHMZBOCLSA-N 1 0 297.330 1.625 20 5 CDBDRO C[C@H]([NH2+]C[C@@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000224437940 140173825 /nfs/dbraw/zinc/17/38/25/140173825.db2.gz FUQKFXSTJKVODL-OIBJUYFYSA-N 1 0 260.240 1.871 20 5 CDBDRO C[NH+](C)CCOCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000226737983 140181170 /nfs/dbraw/zinc/18/11/70/140181170.db2.gz PQOWVZQPXYEXCQ-UHFFFAOYSA-N 1 0 288.735 1.633 20 5 CDBDRO Cc1c(CNC(=O)CC[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000231857040 140219472 /nfs/dbraw/zinc/21/94/72/140219472.db2.gz FAEGZYWLPJVWBA-GFCCVEGCSA-N 1 0 291.351 1.909 20 5 CDBDRO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856435 140220348 /nfs/dbraw/zinc/22/03/48/140220348.db2.gz QUSANRQXFDVLLQ-TVQRCGJNSA-N 1 0 279.340 1.893 20 5 CDBDRO [NH3+]C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000236271182 140240333 /nfs/dbraw/zinc/24/03/33/140240333.db2.gz HIIHXTKSYXGQNA-JTQLQIEISA-N 1 0 283.353 1.904 20 5 CDBDRO O=[N+]([O-])c1ccccc1CNC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252667289 140322239 /nfs/dbraw/zinc/32/22/39/140322239.db2.gz IEHVBBOTWJJUCH-UONOGXRCSA-N 1 0 291.351 1.548 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252844315 140327060 /nfs/dbraw/zinc/32/70/60/140327060.db2.gz BSNAVDTYGMAOFZ-VHRBIJSZSA-N 1 0 262.309 1.798 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1csc([N+](=O)[O-])c1 ZINC000261545584 140344907 /nfs/dbraw/zinc/34/49/07/140344907.db2.gz FIDTVTCOZXCPLQ-QMMMGPOBSA-N 1 0 271.342 1.760 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261590521 140358183 /nfs/dbraw/zinc/35/81/83/140358183.db2.gz LHAGFDXZJGPERG-ZDUSSCGKSA-N 1 0 267.304 1.905 20 5 CDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]CC1 ZINC000261675548 140373214 /nfs/dbraw/zinc/37/32/14/140373214.db2.gz HJWMILJUTSYOTR-UHFFFAOYSA-N 1 0 279.340 1.787 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000262049428 140418414 /nfs/dbraw/zinc/41/84/14/140418414.db2.gz QVVIYWZRCWSZEQ-AWEZNQCLSA-N 1 0 293.323 1.171 20 5 CDBDRO CCc1ccc(C(=O)NCC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000262014830 149000820 /nfs/dbraw/zinc/00/08/20/149000820.db2.gz KTUFXYIVOXSYKF-UHFFFAOYSA-N 1 0 263.297 1.106 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)[C@@H](C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000262018095 149002170 /nfs/dbraw/zinc/00/21/70/149002170.db2.gz AAHQANWOVRZCKM-QWRGUYRKSA-N 1 0 291.351 1.936 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]1CCO ZINC000310636917 149197078 /nfs/dbraw/zinc/19/70/78/149197078.db2.gz RDZGJZLPNUYOMR-GFCCVEGCSA-N 1 0 250.298 1.942 20 5 CDBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000352661701 155332588 /nfs/dbraw/zinc/33/25/88/155332588.db2.gz YNANEQUDCCAITG-CHWSQXEVSA-N 1 0 250.298 1.940 20 5 CDBDRO CCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000345692703 152914905 /nfs/dbraw/zinc/91/49/05/152914905.db2.gz MODLIYXZIQSVMV-UHFFFAOYSA-N 1 0 268.317 1.337 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCC[NH2+]CC1 ZINC000346682425 153270059 /nfs/dbraw/zinc/27/00/59/153270059.db2.gz DSXKOZLWSZZTMU-ZZXKWVIFSA-N 1 0 261.325 1.903 20 5 CDBDRO CC[NH+](CC)CCOCCNc1ncccc1[N+](=O)[O-] ZINC000347860997 153692049 /nfs/dbraw/zinc/69/20/49/153692049.db2.gz UFBROWSMTGSLIU-UHFFFAOYSA-N 1 0 282.344 1.760 20 5 CDBDRO CC[N@H+](C[C@H](C)O)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000352213262 155028016 /nfs/dbraw/zinc/02/80/16/155028016.db2.gz UCTLAUVVMFZUNQ-RYUDHWBXSA-N 1 0 298.339 1.037 20 5 CDBDRO Cc1cc(N2CCC([NH3+])CC2)c(F)cc1[N+](=O)[O-] ZINC000310870400 289423245 /nfs/dbraw/zinc/42/32/45/289423245.db2.gz LXKZBFAKHXMYFD-UHFFFAOYSA-N 1 0 253.277 1.970 20 5 CDBDRO Cc1ccc(C[NH+]2CCC(OCCO)CC2)cc1[N+](=O)[O-] ZINC000354035597 156234223 /nfs/dbraw/zinc/23/42/23/156234223.db2.gz ZNQHIPNIMLUNIE-UHFFFAOYSA-N 1 0 294.351 1.877 20 5 CDBDRO C[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000355737825 157210057 /nfs/dbraw/zinc/21/00/57/157210057.db2.gz INCYMZCIVLWFIT-LBPRGKRZSA-N 1 0 293.367 1.841 20 5 CDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1COCCO1 ZINC000358230618 157897212 /nfs/dbraw/zinc/89/72/12/157897212.db2.gz YLOMFMLWSXUSJI-TZMCWYRMSA-N 1 0 294.351 1.921 20 5 CDBDRO CCCC[N@H+](C)CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000359321172 158214458 /nfs/dbraw/zinc/21/44/58/158214458.db2.gz VKUGTWMEWMTMJK-UHFFFAOYSA-N 1 0 293.367 1.985 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359461391 158254537 /nfs/dbraw/zinc/25/45/37/158254537.db2.gz YRMQHQBJYUUGFI-BETUJISGSA-N 1 0 261.325 1.554 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)ccc1[N+](=O)[O-] ZINC000373053518 160168658 /nfs/dbraw/zinc/16/86/58/160168658.db2.gz FRVRWAXCYJIBPN-DGCLKSJQSA-N 1 0 289.335 1.727 20 5 CDBDRO C[C@H]1CC[C@@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)O1 ZINC000373221772 160183121 /nfs/dbraw/zinc/18/31/21/160183121.db2.gz VBYDGXLFCOXCRA-AAEUAGOBSA-N 1 0 294.355 1.996 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1 ZINC000374544254 160294278 /nfs/dbraw/zinc/29/42/78/160294278.db2.gz DYSRRXXINDKHRS-GFCCVEGCSA-N 1 0 272.308 1.965 20 5 CDBDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000352887055 287105353 /nfs/dbraw/zinc/10/53/53/287105353.db2.gz IXYXDCQZJWYUOV-VXGBXAGGSA-N 1 0 296.371 1.844 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000020501976 171227713 /nfs/dbraw/zinc/22/77/13/171227713.db2.gz FLPUGKLQFTUHHX-BQYQJAHWSA-N 1 0 289.335 1.772 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2(O)CCOCC2)cc1 ZINC000285523060 196314085 /nfs/dbraw/zinc/31/40/85/196314085.db2.gz OKAIBVFPNWLQGL-UHFFFAOYSA-N 1 0 280.324 1.616 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+](C3CC3)C2)nc1 ZINC000037404474 173180535 /nfs/dbraw/zinc/18/05/35/173180535.db2.gz HLLHBJZYDQYNIB-SNVBAGLBSA-N 1 0 262.313 1.886 20 5 CDBDRO [NH3+]CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000044512564 175188128 /nfs/dbraw/zinc/18/81/28/175188128.db2.gz ZNKYAINWOABESL-UHFFFAOYSA-N 1 0 263.297 1.406 20 5 CDBDRO CCOC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000286377848 196585161 /nfs/dbraw/zinc/58/51/61/196585161.db2.gz YZAKGJYOYGSGPS-LBPRGKRZSA-N 1 0 270.333 1.442 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000071143694 176041151 /nfs/dbraw/zinc/04/11/51/176041151.db2.gz YSBZIHVYXMQHQB-SECBINFHSA-N 1 0 297.742 1.930 20 5 CDBDRO C[NH2+]C[C@H]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000071147584 176043355 /nfs/dbraw/zinc/04/33/55/176043355.db2.gz JMXQZMUQUATVCV-GFCCVEGCSA-N 1 0 279.340 1.645 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000071147582 176043601 /nfs/dbraw/zinc/04/36/01/176043601.db2.gz JMXQZMUQUATVCV-LBPRGKRZSA-N 1 0 279.340 1.645 20 5 CDBDRO COC[C@@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000071267735 176100836 /nfs/dbraw/zinc/10/08/36/176100836.db2.gz UZLOXMADMZSPPG-PWSUYJOCSA-N 1 0 268.313 1.561 20 5 CDBDRO Cc1cccc(C(=O)N(C)[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000071310123 176117132 /nfs/dbraw/zinc/11/71/32/176117132.db2.gz NMUDOTYXTYQEOX-JTQLQIEISA-N 1 0 263.297 1.337 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[NH2+]C1 ZINC000071311462 176118474 /nfs/dbraw/zinc/11/84/74/176118474.db2.gz OUIFVZDGVITIBN-LBPRGKRZSA-N 1 0 265.313 1.397 20 5 CDBDRO CNc1ccc(C(=O)N2CC[C@@H](C[NH2+]C)C2)cc1[N+](=O)[O-] ZINC000517932074 260319788 /nfs/dbraw/zinc/31/97/88/260319788.db2.gz BMWMALQGSDNZDO-JTQLQIEISA-N 1 0 292.339 1.318 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000090551914 260462292 /nfs/dbraw/zinc/46/22/92/260462292.db2.gz BVTFZBJPAZYGSH-BETUJISGSA-N 1 0 291.351 1.879 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000307900043 273591669 /nfs/dbraw/zinc/59/16/69/273591669.db2.gz RKLCBEANGITEBS-QMMMGPOBSA-N 1 0 253.258 1.058 20 5 CDBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000105790475 274271421 /nfs/dbraw/zinc/27/14/21/274271421.db2.gz KNEGWFOQTQBQFS-VXGBXAGGSA-N 1 0 279.340 1.486 20 5 CDBDRO C[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C[C@H]1C[NH3+] ZINC000261539580 274563992 /nfs/dbraw/zinc/56/39/92/274563992.db2.gz ACVKVBNSVZIYHG-JGVFFNPUSA-N 1 0 256.331 1.472 20 5 CDBDRO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCc2c1cccc2[N+](=O)[O-] ZINC000375256400 275006762 /nfs/dbraw/zinc/00/67/62/275006762.db2.gz QNTMLZWROVGOFJ-XHDPSFHLSA-N 1 0 287.319 1.484 20 5 CDBDRO CC[NH2+]CCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417821074 276420838 /nfs/dbraw/zinc/42/08/38/276420838.db2.gz DETDJFXCZOGIKW-LLVKDONJSA-N 1 0 294.355 1.873 20 5 CDBDRO C[NH+]1CCC(C(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000073848744 277024515 /nfs/dbraw/zinc/02/45/15/277024515.db2.gz TXJWUWSGTOBYSG-UHFFFAOYSA-N 1 0 289.335 1.826 20 5 CDBDRO C[NH2+][C@H](C)Cc1noc(COc2cccc([N+](=O)[O-])c2)n1 ZINC000261692340 277041622 /nfs/dbraw/zinc/04/16/22/277041622.db2.gz HORYBQUDMTXYQE-SECBINFHSA-N 1 0 292.295 1.707 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000127709937 277278116 /nfs/dbraw/zinc/27/81/16/277278116.db2.gz HHAXMOQVKPSZCA-JTQLQIEISA-N 1 0 281.287 1.558 20 5 CDBDRO C[NH2+][C@@H](C)Cc1noc(CCc2cccc([N+](=O)[O-])c2)n1 ZINC000261851120 277294206 /nfs/dbraw/zinc/29/42/06/277294206.db2.gz SUKIWNUDHUCFNJ-JTQLQIEISA-N 1 0 290.323 1.913 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000237242399 277936929 /nfs/dbraw/zinc/93/69/29/277936929.db2.gz ZDTXCNKQBRENEW-CABZTGNLSA-N 1 0 293.323 1.461 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000036793810 278364788 /nfs/dbraw/zinc/36/47/88/278364788.db2.gz ZSICAPYZPVIKEX-VHSXEESVSA-N 1 0 265.313 1.722 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H]1C[NH3+] ZINC000070176954 278477687 /nfs/dbraw/zinc/47/76/87/278477687.db2.gz MPVLORLDQUQPRN-MWLCHTKSSA-N 1 0 280.328 1.133 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000261821222 278541086 /nfs/dbraw/zinc/54/10/86/278541086.db2.gz OCZBDRNOGLHECE-MWLCHTKSSA-N 1 0 292.339 1.376 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261766662 278863113 /nfs/dbraw/zinc/86/31/13/278863113.db2.gz VMXBKOYQLCEOOF-VXGBXAGGSA-N 1 0 289.335 1.585 20 5 CDBDRO C[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000342413717 278865295 /nfs/dbraw/zinc/86/52/95/278865295.db2.gz IZULWWYCVUOSMO-BXKDBHETSA-N 1 0 284.337 1.118 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000343798764 279280676 /nfs/dbraw/zinc/28/06/76/279280676.db2.gz WHPDLFSKRQNCBL-SECBINFHSA-N 1 0 275.312 1.900 20 5 CDBDRO O=C(C[C@H]1CC[NH2+]C1)NCCNc1ccccc1[N+](=O)[O-] ZINC000127860638 279545650 /nfs/dbraw/zinc/54/56/50/279545650.db2.gz GZEOAJJUEKNUPZ-LLVKDONJSA-N 1 0 292.339 1.123 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000189307054 280048744 /nfs/dbraw/zinc/04/87/44/280048744.db2.gz OQUTYFVGEBWQJR-LDYMZIIASA-N 1 0 281.287 1.604 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000211351540 280085250 /nfs/dbraw/zinc/08/52/50/280085250.db2.gz USTBMTKVFARWFK-WVPKPSDHSA-N 1 0 289.335 1.804 20 5 CDBDRO C[C@](C[NH3+])(NC(=O)c1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000127293755 280139536 /nfs/dbraw/zinc/13/95/36/280139536.db2.gz NPRGSXWDXDQPLU-CYBMUJFWSA-N 1 0 281.287 1.591 20 5 CDBDRO [NH3+]CCCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000237790397 280187594 /nfs/dbraw/zinc/18/75/94/280187594.db2.gz CYGAPFQUMLAUKQ-HWKANZROSA-N 1 0 267.260 1.212 20 5 CDBDRO Cc1cc(C(=O)N2CCC[C@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000135241697 280327475 /nfs/dbraw/zinc/32/74/75/280327475.db2.gz AZBGONNIFOPGPM-NSHDSACASA-N 1 0 263.297 1.467 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@H]1C ZINC000422766931 280400282 /nfs/dbraw/zinc/40/02/82/280400282.db2.gz XYFUZGQJVMLYKI-LLVKDONJSA-N 1 0 277.324 1.646 20 5 CDBDRO C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000292819157 288257854 /nfs/dbraw/zinc/25/78/54/288257854.db2.gz OWCJVNZTLJBTJY-AOOOYVTPSA-N 1 0 264.329 1.706 20 5 CDBDRO COc1cccc(C(=O)N[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000522000068 281082132 /nfs/dbraw/zinc/08/21/32/281082132.db2.gz GYFUIJXFDUMHLN-VIFPVBQESA-N 1 0 279.296 1.085 20 5 CDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000525021065 281115218 /nfs/dbraw/zinc/11/52/18/281115218.db2.gz NKKJUPNKUXVSGY-CMPLNLGQSA-N 1 0 294.355 1.346 20 5 CDBDRO CC1(C)CCC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000149833821 289070350 /nfs/dbraw/zinc/07/03/50/289070350.db2.gz NQVYZCXYISIPSJ-DGCLKSJQSA-N 1 0 296.371 1.711 20 5 CDBDRO C[C@@H](CCCO)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567875865 293896507 /nfs/dbraw/zinc/89/65/07/293896507.db2.gz MLWKFUZEHDJSLS-WCQYABFASA-N 1 0 298.339 1.085 20 5 CDBDRO CNc1ccc(C(=O)NC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000568864565 294113461 /nfs/dbraw/zinc/11/34/61/294113461.db2.gz WQCSLKHBXRSWSB-SNVBAGLBSA-N 1 0 278.312 1.104 20 5 CDBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc([N+](=O)[O-])cn2C)n1 ZINC000563624738 316345857 /nfs/dbraw/zinc/34/58/57/316345857.db2.gz SDLDJGJBBKKTGV-ZETCQYMHSA-N 1 0 265.273 1.134 20 5 CDBDRO COC[C@H](CO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000564225337 316438093 /nfs/dbraw/zinc/43/80/93/316438093.db2.gz FQQRGQKPNJVGIN-CABZTGNLSA-N 1 0 266.297 1.179 20 5 CDBDRO COc1ccc(CNC(=O)[C@H]2CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000570038836 316898622 /nfs/dbraw/zinc/89/86/22/316898622.db2.gz KMASGZFQMWAVGY-ONGXEEELSA-N 1 0 293.323 1.218 20 5 CDBDRO C[C@@H]([NH2+]C1CC1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000577488520 317338819 /nfs/dbraw/zinc/33/88/19/317338819.db2.gz BFOMGWHLOIPTSW-SNVBAGLBSA-N 1 0 293.323 1.230 20 5 CDBDRO CNc1ccc(C(=O)N2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000577507775 317345892 /nfs/dbraw/zinc/34/58/92/317345892.db2.gz VBJYYFZHIOFHRH-SECBINFHSA-N 1 0 278.312 1.070 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000578980751 324071012 /nfs/dbraw/zinc/07/10/12/324071012.db2.gz PNUQFVSCKARUCK-NXEZZACHSA-N 1 0 292.339 1.398 20 5 CDBDRO COc1ccc(C[NH2+]C[C@H](O)CSC)cc1[N+](=O)[O-] ZINC000579305160 324149574 /nfs/dbraw/zinc/14/95/74/324149574.db2.gz MOPKHVSZKDIPSR-JTQLQIEISA-N 1 0 286.353 1.417 20 5 CDBDRO O=C(NCC[C@H]1CCC[NH2+]1)NCc1cccc([N+](=O)[O-])c1 ZINC000580172119 324387467 /nfs/dbraw/zinc/38/74/67/324387467.db2.gz PXJDOQRTZGISNK-GFCCVEGCSA-N 1 0 292.339 1.536 20 5 CDBDRO C[C@H](O)[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000581939063 324864467 /nfs/dbraw/zinc/86/44/67/324864467.db2.gz IPQYTOALUZQBGX-YUMQZZPRSA-N 1 0 264.285 1.330 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccco2)c1 ZINC000584066379 326914749 /nfs/dbraw/zinc/91/47/49/326914749.db2.gz RFMZIFHRSAMGGZ-GFCCVEGCSA-N 1 0 292.291 1.717 20 5 CDBDRO COc1cc([N+](=O)[O-])c(NCC[NH+](C)C)cc1F ZINC001161669050 1160142808 /nfs/dbraw/zinc/14/28/08/1160142808.db2.gz XGKKICLSCAOMMT-UHFFFAOYSA-N 1 0 257.265 1.716 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CNc1cc(N)c([N+](=O)[O-])cn1 ZINC001354298831 1160257231 /nfs/dbraw/zinc/25/72/31/1160257231.db2.gz FDCKSTXBULTNGR-VIFPVBQESA-N 1 0 265.317 1.468 20 5 CDBDRO [NH3+]Cc1cnnn1-c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001169310502 1162003420 /nfs/dbraw/zinc/00/34/20/1162003420.db2.gz ZACQANLOBCMCDS-UHFFFAOYSA-N 1 0 287.201 1.653 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(NC2(C)CC[NH2+]CC2)n1 ZINC001157401927 1162063898 /nfs/dbraw/zinc/06/38/98/1162063898.db2.gz YHZPXGUAHQYSCL-UHFFFAOYSA-N 1 0 251.290 1.247 20 5 CDBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000156411031 519613379 /nfs/dbraw/zinc/61/33/79/519613379.db2.gz ZPFWDHDBVRZSQT-AWEZNQCLSA-N 1 0 291.351 1.895 20 5 CDBDRO CC[C@@H]([NH2+][C@@H]1CCC(=O)NC1)c1cccc([N+](=O)[O-])c1 ZINC000111018587 522923096 /nfs/dbraw/zinc/92/30/96/522923096.db2.gz IGWSPPRNDWICLV-DGCLKSJQSA-N 1 0 277.324 1.914 20 5 CDBDRO COCC[N@H+](C)CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000061380261 523595980 /nfs/dbraw/zinc/59/59/80/523595980.db2.gz SGZOVFUKCKFDBY-UHFFFAOYSA-N 1 0 299.302 1.042 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[N@H+](C)C1CC1 ZINC000068219666 524718789 /nfs/dbraw/zinc/71/87/89/524718789.db2.gz LNZUHRCWGDDJGY-QMMMGPOBSA-N 1 0 267.285 1.400 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H](C)N1CCc1ccc([N+](=O)[O-])cc1 ZINC000069134676 525103204 /nfs/dbraw/zinc/10/32/04/525103204.db2.gz ITFOUPZENQYAPF-TXEJJXNPSA-N 1 0 263.341 1.820 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000157350774 525263354 /nfs/dbraw/zinc/26/33/54/525263354.db2.gz BQZBOHNXPVCRQS-ZJUUUORDSA-N 1 0 292.339 1.390 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000158039840 525458615 /nfs/dbraw/zinc/45/86/15/525458615.db2.gz RKRTUVIXNHGTIM-CABZTGNLSA-N 1 0 293.323 1.461 20 5 CDBDRO Cc1nn(C)c(C(=O)N(C)CC[C@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000236770834 527599496 /nfs/dbraw/zinc/59/94/96/527599496.db2.gz PESNQNXQTKYHFM-JTQLQIEISA-N 1 0 297.359 1.082 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000307908947 527793778 /nfs/dbraw/zinc/79/37/78/527793778.db2.gz FVLDYLCICLMDQD-DMTLFAOVSA-N 1 0 289.335 1.865 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000422837846 535425771 /nfs/dbraw/zinc/42/57/71/535425771.db2.gz NEUSJQBYWDRRHX-SNVBAGLBSA-N 1 0 293.323 1.427 20 5 CDBDRO C[NH2+][C@H](C)Cc1noc(-c2cc([N+](=O)[O-])ccc2OC)n1 ZINC000261720737 536405233 /nfs/dbraw/zinc/40/52/33/536405233.db2.gz JMZUAGOYUVGTPW-MRVPVSSYSA-N 1 0 292.295 1.804 20 5 CDBDRO CNC(=O)c1ccc(N[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000213346593 536434649 /nfs/dbraw/zinc/43/46/49/536434649.db2.gz SDACFFMRBUIYDY-SNVBAGLBSA-N 1 0 278.312 1.118 20 5 CDBDRO CN1CC[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000729681663 574820449 /nfs/dbraw/zinc/82/04/49/574820449.db2.gz HJIHNOAXORSRIR-DIECRNLCSA-N 1 0 261.325 1.902 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCS(C)(=O)=O ZINC000765442064 576022949 /nfs/dbraw/zinc/02/29/49/576022949.db2.gz PWTWCVVWUODVDB-JTQLQIEISA-N 1 0 286.353 1.598 20 5 CDBDRO COC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000754385996 576894401 /nfs/dbraw/zinc/89/44/01/576894401.db2.gz UOWDMUBXKATPSG-KGLIPLIRSA-N 1 0 282.340 1.889 20 5 CDBDRO Cc1nn(C[N@H+]2CC[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749949547 576969323 /nfs/dbraw/zinc/96/93/23/576969323.db2.gz XGIGUBAEVNXSQU-VIFPVBQESA-N 1 0 275.312 1.947 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1COC[C@H]1C ZINC000932493462 617316166 /nfs/dbraw/zinc/31/61/66/617316166.db2.gz GHZUWFOAAXQQCA-ZWNOBZJWSA-N 1 0 293.323 1.466 20 5 CDBDRO C[C@H](CNc1ccc2nonc2c1[N+](=O)[O-])[NH+](C)C ZINC000892029630 617423607 /nfs/dbraw/zinc/42/36/07/617423607.db2.gz XSXKJUIMGNUWRU-SSDOTTSWSA-N 1 0 265.273 1.493 20 5 CDBDRO C[NH+](C)C(C)(C)CNc1ccc2nonc2c1[N+](=O)[O-] ZINC000891495012 617443435 /nfs/dbraw/zinc/44/34/35/617443435.db2.gz NYYDRKQPGUGXAS-UHFFFAOYSA-N 1 0 279.300 1.883 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NCC1=CC[N@H+](C)CC1 ZINC000893099895 618164835 /nfs/dbraw/zinc/16/48/35/618164835.db2.gz UXPIEOMYXGSGQJ-UHFFFAOYSA-N 1 0 251.290 1.002 20 5 CDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000893938223 618199515 /nfs/dbraw/zinc/19/95/15/618199515.db2.gz CIZJBCQRTWCXRB-KWQFWETISA-N 1 0 282.731 1.784 20 5 CDBDRO COc1c(O)ccc(C[NH2+]CCSC)c1[N+](=O)[O-] ZINC000892437338 618202068 /nfs/dbraw/zinc/20/20/68/618202068.db2.gz IRGLJEDIJFHJMX-UHFFFAOYSA-N 1 0 272.326 1.762 20 5 CDBDRO C[C@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[N@@H+](C2CCC2)C1 ZINC000893960810 618209520 /nfs/dbraw/zinc/20/95/20/618209520.db2.gz XNAHAWBZHNEDHI-LLVKDONJSA-N 1 0 293.371 1.639 20 5 CDBDRO [NH3+]CCc1noc(CNc2ccccc2[N+](=O)[O-])n1 ZINC000843128857 618693669 /nfs/dbraw/zinc/69/36/69/618693669.db2.gz LKFDMQSALMZQNP-UHFFFAOYSA-N 1 0 263.257 1.091 20 5 CDBDRO CN(CC[N+](=O)[O-])Cc1cc(Br)cn1C ZINC000791053005 618741343 /nfs/dbraw/zinc/74/13/43/618741343.db2.gz RLEVCJKWNPKSPP-UHFFFAOYSA-N 1 0 276.134 1.496 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC1CCC([NH+](C)C)CC1 ZINC000894246515 618752286 /nfs/dbraw/zinc/75/22/86/618752286.db2.gz OBHZHVRNPDEUSP-UHFFFAOYSA-N 1 0 267.333 1.613 20 5 CDBDRO C[C@@H](CCNc1ccc2nonc2c1[N+](=O)[O-])[NH+](C)C ZINC000894521389 618935404 /nfs/dbraw/zinc/93/54/04/618935404.db2.gz OTOJPVCJDKLSHB-QMMMGPOBSA-N 1 0 279.300 1.883 20 5 CDBDRO COC(=O)N1CC(C)([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000894542904 618952913 /nfs/dbraw/zinc/95/29/13/618952913.db2.gz RONLSWQVXGWQPX-UHFFFAOYSA-N 1 0 293.323 1.568 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)NC1C[NH2+]C1 ZINC000841233129 619223038 /nfs/dbraw/zinc/22/30/38/619223038.db2.gz LZLHGCPUZGERSI-UHFFFAOYSA-N 1 0 270.676 1.342 20 5 CDBDRO CCC[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[NH2+]1 ZINC000895057762 619241742 /nfs/dbraw/zinc/24/17/42/619241742.db2.gz HXCPTOPCRQILCN-SNVBAGLBSA-N 1 0 250.302 1.568 20 5 CDBDRO Cc1ccc(C[NH2+][C@H]2C(=O)NCC2(C)C)cc1[N+](=O)[O-] ZINC000895316404 619546890 /nfs/dbraw/zinc/54/68/90/619546890.db2.gz IQAGKXIAGMIOBM-LBPRGKRZSA-N 1 0 277.324 1.517 20 5 CDBDRO C[N@@H+]1CC[C@@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000895769757 619835706 /nfs/dbraw/zinc/83/57/06/619835706.db2.gz HPHOGPRSDSKMJA-SECBINFHSA-N 1 0 273.296 1.654 20 5 CDBDRO CC1(C)CC[N@H+](CCNc2ncc([N+](=O)[O-])cn2)C1 ZINC000897249485 620442797 /nfs/dbraw/zinc/44/27/97/620442797.db2.gz WHOLFCJWFXILTB-UHFFFAOYSA-N 1 0 265.317 1.529 20 5 CDBDRO C[C@H]([NH2+]C[C@@H]1CCN1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903317844 625970447 /nfs/dbraw/zinc/97/04/47/625970447.db2.gz NLNMOEQHSMLWDH-ONGXEEELSA-N 1 0 264.329 1.532 20 5 CDBDRO COC1CC[NH+](C2(CNCC[N+](=O)[O-])CCCC2)CC1 ZINC000905102679 626621460 /nfs/dbraw/zinc/62/14/60/626621460.db2.gz UUPALXWIOAMWJW-UHFFFAOYSA-N 1 0 285.388 1.276 20 5 CDBDRO COc1ccccc1O[C@H](C)C[NH2+]CC[N+](=O)[O-] ZINC000905136681 626650366 /nfs/dbraw/zinc/65/03/66/626650366.db2.gz RLSKIMZJOUCSOF-SNVBAGLBSA-N 1 0 254.286 1.329 20 5 CDBDRO CC(C)(C)OC(=O)C1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905194231 626670862 /nfs/dbraw/zinc/67/08/62/626670862.db2.gz HUKZJHNIHCBFJY-UHFFFAOYSA-N 1 0 272.345 1.753 20 5 CDBDRO Cc1cccc([C@@H](O)C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000905177722 626681259 /nfs/dbraw/zinc/68/12/59/626681259.db2.gz PSNNUVUMYHGBKT-AWEZNQCLSA-N 1 0 290.323 1.423 20 5 CDBDRO O=[N+]([O-])CCNCC[NH+]1CCC2(CCCCC2)CC1 ZINC000905246893 626702827 /nfs/dbraw/zinc/70/28/27/626702827.db2.gz JYNXAQLNGIADMH-UHFFFAOYSA-N 1 0 269.389 1.899 20 5 CDBDRO CSc1ccc([C@H](C[NH2+]CC[N+](=O)[O-])N(C)C)cc1 ZINC000905271231 626727266 /nfs/dbraw/zinc/72/72/66/626727266.db2.gz AWKVPDLTCADIOB-ZDUSSCGKSA-N 1 0 283.397 1.878 20 5 CDBDRO CC[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H](O)c1c(F)cccc1F ZINC000905364102 626783776 /nfs/dbraw/zinc/78/37/76/626783776.db2.gz HIAKMBKQENBSED-ZYHUDNBSSA-N 1 0 274.267 1.643 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1C=CCC1 ZINC000905418687 626806089 /nfs/dbraw/zinc/80/60/89/626806089.db2.gz SBKCPSVQTJACFA-QWHCGFSZSA-N 1 0 292.335 1.890 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841102689 630624832 /nfs/dbraw/zinc/62/48/32/630624832.db2.gz IPMDMNUUXJXMCE-ZCFIWIBFSA-N 1 0 272.692 1.717 20 5 CDBDRO [NH3+]C1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000051692604 679645334 /nfs/dbraw/zinc/64/53/34/679645334.db2.gz SLOLFBFMFNSRAZ-UHFFFAOYSA-N 1 0 263.297 1.595 20 5 CDBDRO CC[N@H+](C)C[C@H]1CCN(Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000173491714 677764996 /nfs/dbraw/zinc/76/49/96/677764996.db2.gz DMTYNLODVLRVIR-CYBMUJFWSA-N 1 0 295.387 1.639 20 5 CDBDRO O=C(NC1CC[NH2+]CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700608724 677885081 /nfs/dbraw/zinc/88/50/81/677885081.db2.gz MGYUITBCOLYAAD-UHFFFAOYSA-N 1 0 283.715 1.730 20 5 CDBDRO CCn1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000819369352 677943415 /nfs/dbraw/zinc/94/34/15/677943415.db2.gz MPJIPWLXRDWUPE-CQSZACIVSA-N 1 0 290.323 1.634 20 5 CDBDRO CO[C@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000863587499 677960093 /nfs/dbraw/zinc/96/00/93/677960093.db2.gz XYNGWYOMQSJLHG-DRZSPHRISA-N 1 0 266.297 1.395 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700608088 678003443 /nfs/dbraw/zinc/00/34/43/678003443.db2.gz DIJKSQSKRSTUNM-SSDOTTSWSA-N 1 0 271.704 1.715 20 5 CDBDRO C[N@@H+]1CC[C@@H](c2nc(CCC(C)(C)[N+](=O)[O-])no2)C1 ZINC000812811977 678065169 /nfs/dbraw/zinc/06/51/69/678065169.db2.gz RGTORJALCJCDDG-SECBINFHSA-N 1 0 268.317 1.477 20 5 CDBDRO C[C@@H]1CN(CC[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000930720861 678104368 /nfs/dbraw/zinc/10/43/68/678104368.db2.gz UZPZEMFUNHQRCP-CYBMUJFWSA-N 1 0 263.341 1.469 20 5 CDBDRO O=C(NC1CCCCC1)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929902394 678149927 /nfs/dbraw/zinc/14/99/27/678149927.db2.gz AWQFQWNJLQJEDP-UHFFFAOYSA-N 1 0 283.372 1.424 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](CO)CC(F)F ZINC000717756053 678146952 /nfs/dbraw/zinc/14/69/52/678146952.db2.gz SIOLVUYRRUSWIX-VIFPVBQESA-N 1 0 260.240 1.701 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702067585 678208403 /nfs/dbraw/zinc/20/84/03/678208403.db2.gz SDTIYEYTPKDUSS-SECBINFHSA-N 1 0 283.715 1.812 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NCC(C)(C)C[NH+](C)C ZINC000891440491 679678190 /nfs/dbraw/zinc/67/81/90/679678190.db2.gz MMURRBIVVCXZOV-UHFFFAOYSA-N 1 0 255.322 1.328 20 5 CDBDRO C[NH2+]CCC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000870961897 679683465 /nfs/dbraw/zinc/68/34/65/679683465.db2.gz IHZZYTLXLDLGAW-UHFFFAOYSA-N 1 0 251.286 1.129 20 5 CDBDRO CNC(=O)CC[N@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876684747 677749643 /nfs/dbraw/zinc/74/96/43/677749643.db2.gz JAQWZRGWZUZGNA-UHFFFAOYSA-N 1 0 279.340 1.780 20 5 CDBDRO COc1cc(N2C[C@H](C)[NH2+]C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000227856466 677760654 /nfs/dbraw/zinc/76/06/54/677760654.db2.gz NXNQHALQBHVSKM-IUCAKERBSA-N 1 0 283.303 1.929 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877240928 678081299 /nfs/dbraw/zinc/08/12/99/678081299.db2.gz GABRGJMERRAZGV-PHIMTYICSA-N 1 0 277.324 1.679 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC[C@H](C)C1 ZINC000878297988 678127638 /nfs/dbraw/zinc/12/76/38/678127638.db2.gz DALWWZIOWIXTOE-SNVBAGLBSA-N 1 0 268.317 1.068 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000818021232 678184886 /nfs/dbraw/zinc/18/48/86/678184886.db2.gz VFMYMQUVLGQTSB-UHFFFAOYSA-N 1 0 296.283 1.360 20 5 CDBDRO CCn1nncc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000863560733 678223368 /nfs/dbraw/zinc/22/33/68/678223368.db2.gz PYUKQPLQMCFUQI-ZDUSSCGKSA-N 1 0 291.311 1.029 20 5 CDBDRO CC[N@H+](C)C[C@H](O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000311921985 678254612 /nfs/dbraw/zinc/25/46/12/678254612.db2.gz GTPYRMNSSVICLJ-JTQLQIEISA-N 1 0 272.276 1.425 20 5 CDBDRO C[C@@H]1[C@H](O)CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000832220244 678257755 /nfs/dbraw/zinc/25/77/55/678257755.db2.gz PUDZGWJNZMOEMN-OASPWFOLSA-N 1 0 266.297 1.083 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCCC[C@H]2O)cc1 ZINC000252682241 678312059 /nfs/dbraw/zinc/31/20/59/678312059.db2.gz BTCYDJSPXGESIF-NWANDNLSSA-N 1 0 294.351 1.769 20 5 CDBDRO CC(C)(C(=O)OCCn1cc([N+](=O)[O-])cn1)[NH+]1CCCC1 ZINC000805611423 678389837 /nfs/dbraw/zinc/38/98/37/678389837.db2.gz AJLUUWNDAMWMGX-UHFFFAOYSA-N 1 0 296.327 1.209 20 5 CDBDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000714037314 678407085 /nfs/dbraw/zinc/40/70/85/678407085.db2.gz RZYOKAYXXCKWHS-GXTWGEPZSA-N 1 0 280.324 1.078 20 5 CDBDRO CC(C)(C)OC(=O)NC[C@@H]1CCCCN1CC[N+](=O)[O-] ZINC000791051957 678433686 /nfs/dbraw/zinc/43/36/86/678433686.db2.gz ISBBCCTYPVQYDS-NSHDSACASA-N 1 0 287.360 1.642 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000111302063 678435793 /nfs/dbraw/zinc/43/57/93/678435793.db2.gz DUGLZGBTTJGCQB-LURJTMIESA-N 1 0 257.677 1.325 20 5 CDBDRO COC(=O)/C=C/c1ccc(NCC[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000842272847 678465282 /nfs/dbraw/zinc/46/52/82/678465282.db2.gz QOWYJXQOPHXOTD-RWCYGVJQSA-N 1 0 293.323 1.930 20 5 CDBDRO CSc1ccc(C(=O)N2CC[C@](C)([NH3+])C2)cc1[N+](=O)[O-] ZINC000700664077 678468226 /nfs/dbraw/zinc/46/82/26/678468226.db2.gz UKARTXHHGUKLNT-ZDUSSCGKSA-N 1 0 295.364 1.880 20 5 CDBDRO CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001035187202 678578859 /nfs/dbraw/zinc/57/88/59/678578859.db2.gz QDHFTUHHGINTDU-CHWSQXEVSA-N 1 0 295.383 1.376 20 5 CDBDRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](CC[N+](=O)[O-])C2)nc1 ZINC000791055445 678609221 /nfs/dbraw/zinc/60/92/21/678609221.db2.gz UKEOHZIYWLINKB-LBPRGKRZSA-N 1 0 292.339 1.317 20 5 CDBDRO O=C(CC[N@@H+]1C[C@@H]2C[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000886340156 678618165 /nfs/dbraw/zinc/61/81/65/678618165.db2.gz BVSAHGKIWQMPCU-PHIMTYICSA-N 1 0 275.308 1.875 20 5 CDBDRO C[NH+](C)[C@H](CNc1cc(N)ccc1[N+](=O)[O-])C1CC1 ZINC000800848932 678657734 /nfs/dbraw/zinc/65/77/34/678657734.db2.gz LRAQVDCZKAQUTC-CYBMUJFWSA-N 1 0 264.329 1.929 20 5 CDBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823091812 678683113 /nfs/dbraw/zinc/68/31/13/678683113.db2.gz OIDDNWDDGZZJGM-GFCCVEGCSA-N 1 0 285.388 1.765 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+][C@H]2C)c1C ZINC000884445024 678712322 /nfs/dbraw/zinc/71/23/22/678712322.db2.gz CFQAZYUQGVDYON-WDEREUQCSA-N 1 0 277.324 1.692 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)c(F)cc1OCC1C[NH2+]C1 ZINC000830391441 678732935 /nfs/dbraw/zinc/73/29/35/678732935.db2.gz FJCBSICVVHJXFG-UHFFFAOYSA-N 1 0 260.652 1.986 20 5 CDBDRO NC(=O)c1ccc(N[C@@H]2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000089105925 678737410 /nfs/dbraw/zinc/73/74/10/678737410.db2.gz SOLDCXHYGUEANS-NXEZZACHSA-N 1 0 278.312 1.233 20 5 CDBDRO [NH3+]CCN(CC1=CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000809735294 678752264 /nfs/dbraw/zinc/75/22/64/678752264.db2.gz ZXQAIPWZZUMYSI-UHFFFAOYSA-N 1 0 277.324 1.707 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000826777481 678757371 /nfs/dbraw/zinc/75/73/71/678757371.db2.gz BHKKZODERQWPNU-WDEREUQCSA-N 1 0 283.372 1.563 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831217850 678765503 /nfs/dbraw/zinc/76/55/03/678765503.db2.gz MMCYLIYGSBYZNW-GZMMTYOYSA-N 1 0 297.742 1.862 20 5 CDBDRO CS[C@@H](C)CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867969140 678777758 /nfs/dbraw/zinc/77/77/58/678777758.db2.gz KODLFMGWZNSQJV-TVQRCGJNSA-N 1 0 297.380 1.636 20 5 CDBDRO C[C@@H](O)CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843074226 678811086 /nfs/dbraw/zinc/81/10/86/678811086.db2.gz CQRKAYIEDLCLTE-ZWNOBZJWSA-N 1 0 268.313 1.379 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)cc1 ZINC000886580227 678926978 /nfs/dbraw/zinc/92/69/78/678926978.db2.gz AMERUHZZVRDUER-BYCMXARLSA-N 1 0 292.335 1.676 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CO)CCF ZINC000866384448 678931367 /nfs/dbraw/zinc/93/13/67/678931367.db2.gz LOECDILZPIOVJA-CABZTGNLSA-N 1 0 288.294 1.975 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2CC[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000237639571 678969802 /nfs/dbraw/zinc/96/98/02/678969802.db2.gz BAQSIOMHEBRXAZ-VIFPVBQESA-N 1 0 281.287 1.476 20 5 CDBDRO CC(C)(C[NH+]1CCCC1)NCc1cccnc1[N+](=O)[O-] ZINC000886238566 678991799 /nfs/dbraw/zinc/99/17/99/678991799.db2.gz CMRMTPUAGKYZSI-UHFFFAOYSA-N 1 0 278.356 1.954 20 5 CDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886286849 678993521 /nfs/dbraw/zinc/99/35/21/678993521.db2.gz FAOCONQTXASVOO-MNOVXSKESA-N 1 0 279.296 1.421 20 5 CDBDRO C[C@]([NH3+])(C(=O)N[C@@H]1C=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000867984427 678998946 /nfs/dbraw/zinc/99/89/46/678998946.db2.gz PHRLZXZFSTZCEE-BXUZGUMPSA-N 1 0 275.308 1.604 20 5 CDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(C)(C)[NH3+] ZINC000852898816 679011102 /nfs/dbraw/zinc/01/11/02/679011102.db2.gz PCPDYNMBNWRRIN-UHFFFAOYSA-N 1 0 294.355 1.470 20 5 CDBDRO [NH3+]C1CCC(NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000237854654 679030590 /nfs/dbraw/zinc/03/05/90/679030590.db2.gz PKUOYAXBIRBMNH-UHFFFAOYSA-N 1 0 293.323 1.360 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[NH2+]C1 ZINC000876510931 679040810 /nfs/dbraw/zinc/04/08/10/679040810.db2.gz RZULNFDRUVFYGK-JTQLQIEISA-N 1 0 263.297 1.303 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)c2ccccc2)c1 ZINC000819176202 679047068 /nfs/dbraw/zinc/04/70/68/679047068.db2.gz HVNLPBRUUAXGSO-CYBMUJFWSA-N 1 0 276.296 1.115 20 5 CDBDRO C[N@H+](CCO)CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000884824949 679062077 /nfs/dbraw/zinc/06/20/77/679062077.db2.gz WZZADPMMSSIKAB-UHFFFAOYSA-N 1 0 296.352 1.541 20 5 CDBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cc(F)ccc1[N+](=O)[O-] ZINC000843485876 679105744 /nfs/dbraw/zinc/10/57/44/679105744.db2.gz VTFZTEUOYFEHFT-LLVKDONJSA-N 1 0 295.314 1.996 20 5 CDBDRO CO[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819324069 679118103 /nfs/dbraw/zinc/11/81/03/679118103.db2.gz SVECBMPDSBAEIW-GIPNMCIBSA-N 1 0 268.313 1.641 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCCCCC[NH3+] ZINC000843510493 679133199 /nfs/dbraw/zinc/13/31/99/679133199.db2.gz RVIBFUCQCBTHDO-UHFFFAOYSA-N 1 0 295.339 1.852 20 5 CDBDRO CC[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)OC ZINC000819321403 679208118 /nfs/dbraw/zinc/20/81/18/679208118.db2.gz GWBHAKQOTACNAC-CHWSQXEVSA-N 1 0 268.313 1.643 20 5 CDBDRO C[C@H](O)[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000930140533 679394661 /nfs/dbraw/zinc/39/46/61/679394661.db2.gz CIMOXRDFLVYKCM-HZMBPMFUSA-N 1 0 280.324 1.301 20 5 CDBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839676135 679396225 /nfs/dbraw/zinc/39/62/25/679396225.db2.gz UZLVVKCNPZAEKE-UXIGCNINSA-N 1 0 294.351 1.721 20 5 CDBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CC[NH2+]C1 ZINC000841011196 679428683 /nfs/dbraw/zinc/42/86/83/679428683.db2.gz MNGBVWLFBQXWQW-QMMMGPOBSA-N 1 0 284.703 1.732 20 5 CDBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])s1)CCOCCO ZINC000882952381 679436416 /nfs/dbraw/zinc/43/64/16/679436416.db2.gz RWEGHRGTOUIDEA-UHFFFAOYSA-N 1 0 289.357 1.009 20 5 CDBDRO CSC[C@H](C)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867949931 679462651 /nfs/dbraw/zinc/46/26/51/679462651.db2.gz LUYYGYACGARHPI-TVQRCGJNSA-N 1 0 297.380 1.636 20 5 CDBDRO C/C=C\C[C@H](CO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843077927 679518107 /nfs/dbraw/zinc/51/81/07/679518107.db2.gz QJXTXPGCTXKEGO-DEOOVVBZSA-N 1 0 280.324 1.545 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000854649809 679533130 /nfs/dbraw/zinc/53/31/30/679533130.db2.gz HBQGJXKOODVWSI-GHMZBOCLSA-N 1 0 271.361 1.373 20 5 CDBDRO CC[NH2+]Cc1cn(Cc2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000714048931 679539980 /nfs/dbraw/zinc/53/99/80/679539980.db2.gz NEPKSWUIRRSZSR-UHFFFAOYSA-N 1 0 275.312 1.653 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](CCO)CCCO ZINC000876723510 679550031 /nfs/dbraw/zinc/55/00/31/679550031.db2.gz CJHLPMFSNIWNDX-UHFFFAOYSA-N 1 0 282.340 1.388 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000070076300 679559323 /nfs/dbraw/zinc/55/93/23/679559323.db2.gz SVXDUVAURXEAGH-RKDXNWHRSA-N 1 0 281.287 1.556 20 5 CDBDRO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000856358664 679566835 /nfs/dbraw/zinc/56/68/35/679566835.db2.gz SOWHOXBSQBGMPM-BFHYXJOUSA-N 1 0 289.335 1.042 20 5 CDBDRO C[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1CO ZINC000886308413 679572644 /nfs/dbraw/zinc/57/26/44/679572644.db2.gz BWWDRJWHKOCQHF-ZYHUDNBSSA-N 1 0 265.313 1.583 20 5 CDBDRO O=[N+]([O-])c1cc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1Cl ZINC000131236641 679584936 /nfs/dbraw/zinc/58/49/36/679584936.db2.gz VWVCBDUZEMTBRI-GHMZBOCLSA-N 1 0 281.743 1.899 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+]1C ZINC000712541874 679653086 /nfs/dbraw/zinc/65/30/86/679653086.db2.gz GDMMURHUMABVTA-VIFPVBQESA-N 1 0 253.306 1.236 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]C2(C)COC2)c([N+](=O)[O-])c1 ZINC001170297215 1162328051 /nfs/dbraw/zinc/32/80/51/1162328051.db2.gz MESZCEYAYODISA-SNVBAGLBSA-N 1 0 280.324 1.913 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]CC2COC2)c([N+](=O)[O-])c1 ZINC001170299289 1162328814 /nfs/dbraw/zinc/32/88/14/1162328814.db2.gz UYBDVLMCADVGHS-JTQLQIEISA-N 1 0 280.324 1.770 20 5 CDBDRO Cc1cccc(N[C@H](C)[C@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001170567748 1162950724 /nfs/dbraw/zinc/95/07/24/1162950724.db2.gz LTWPKYOQMQRNED-ZYHUDNBSSA-N 1 0 265.313 1.692 20 5 CDBDRO [NH3+]CCc1cnn(-c2cc3cccnc3c([N+](=O)[O-])c2)c1 ZINC001168950562 1161994184 /nfs/dbraw/zinc/99/41/84/1161994184.db2.gz ZBWJJSQJEOAPKX-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ncn3ccccc23)C1 ZINC001168998587 1161996732 /nfs/dbraw/zinc/99/67/32/1161996732.db2.gz OWYMDUFYFCNTGT-NEPJUHHUSA-N 1 0 274.324 1.869 20 5 CDBDRO CNc1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC001578755040 1171994704 /nfs/dbraw/zinc/99/47/04/1171994704.db2.gz QQSZWMPQAKZQSS-GXFFZTMASA-N 1 0 290.323 1.070 20 5 CDBDRO CCOc1cccc(N2CC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000135050675 1175823001 /nfs/dbraw/zinc/82/30/01/1175823001.db2.gz XTROENWPCGLSFW-SNVBAGLBSA-N 1 0 265.313 1.779 20 5 CDBDRO Cc1c(CNC(=O)C[NH2+]C(C)(C)C)cccc1[N+](=O)[O-] ZINC000231856524 1178180337 /nfs/dbraw/zinc/18/03/37/1178180337.db2.gz YPHYQANAJQMWLT-UHFFFAOYSA-N 1 0 279.340 1.908 20 5 CDBDRO C[C@@H]1[NH2+]C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H]1C ZINC000401308536 1186410748 /nfs/dbraw/zinc/41/07/48/1186410748.db2.gz UMXYIJUXMPRIFD-GUBZILKMSA-N 1 0 280.328 1.144 20 5 CDBDRO CC(C)([NH3+])CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000406005223 1186581406 /nfs/dbraw/zinc/58/14/06/1186581406.db2.gz CTWKYYNOMMSYKE-UHFFFAOYSA-N 1 0 257.315 1.514 20 5 CDBDRO C[C@@H]1CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)[C@@H](C)C[N@@H+]1C ZINC001164634365 719221432 /nfs/dbraw/zinc/22/14/32/719221432.db2.gz GOUAKPHYEVVEQX-ZJUUUORDSA-N 1 0 289.339 2.000 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001173222168 912305483 /nfs/dbraw/zinc/30/54/83/912305483.db2.gz PRQYVKLUTJCPEM-ZLDLUXBVSA-N 1 0 294.351 1.201 20 5 CDBDRO CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173229892 912323013 /nfs/dbraw/zinc/32/30/13/912323013.db2.gz BNYQIBIQZNHWQG-FZMZJTMJSA-N 1 0 291.351 1.736 20 5 CDBDRO CN(CC1CC[NH2+]CC1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000094022090 912327589 /nfs/dbraw/zinc/32/75/89/912327589.db2.gz ABDCDNICWHAABW-UHFFFAOYSA-N 1 0 280.328 1.005 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC(=O)N1C ZINC001173234919 912332808 /nfs/dbraw/zinc/33/28/08/912332808.db2.gz QSDQDDVRCUHYSI-RISCZKNCSA-N 1 0 291.351 1.736 20 5 CDBDRO C[NH2+]Cc1c(C)nn(-c2ccc([N+](=O)[O-])c(OC)n2)c1C ZINC001167098079 894489220 /nfs/dbraw/zinc/48/92/20/894489220.db2.gz BQTYMNQYKGQLJB-UHFFFAOYSA-N 1 0 291.311 1.520 20 5 CDBDRO Cn1cc(-n2ccc3cc(C[NH3+])cnc32)cc([N+](=O)[O-])c1=O ZINC001167311330 895215479 /nfs/dbraw/zinc/21/54/79/895215479.db2.gz IBBMUYZMHLLEPX-UHFFFAOYSA-N 1 0 299.290 1.091 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2COC[C@H]2C)cc1[N+](=O)[O-] ZINC000699804836 914292166 /nfs/dbraw/zinc/29/21/66/914292166.db2.gz JHBDXMBENOUZIK-MWLCHTKSSA-N 1 0 266.297 1.728 20 5 CDBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCN1C ZINC000695902998 900069590 /nfs/dbraw/zinc/06/95/90/900069590.db2.gz DWIQOAHNSXZADL-BXUZGUMPSA-N 1 0 278.356 1.641 20 5 CDBDRO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCO1 ZINC001161697039 905508597 /nfs/dbraw/zinc/50/85/97/905508597.db2.gz WPZRZGQWXZRELT-SCZZXKLOSA-N 1 0 293.327 1.051 20 5 CDBDRO Cc1c(N[C@H]2C[NH2+]CC[C@H]2F)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001168226668 907942628 /nfs/dbraw/zinc/94/26/28/907942628.db2.gz MGBXFLHOONJGOZ-SCZZXKLOSA-N 1 0 298.274 1.923 20 5 CDBDRO COC(=O)c1cc(N[C@H]2C[NH2+]CC[C@H]2F)cc([N+](=O)[O-])c1 ZINC001168232229 907954067 /nfs/dbraw/zinc/95/40/67/907954067.db2.gz XGAHVYFRIMZXGB-NEPJUHHUSA-N 1 0 297.286 1.493 20 5 CDBDRO [NH3+]C[C@H]1COc2ccccc2N1c1ncccc1[N+](=O)[O-] ZINC001171398784 909642894 /nfs/dbraw/zinc/64/28/94/909642894.db2.gz CDGOOVHFBJWKLC-JTQLQIEISA-N 1 0 286.291 1.848 20 5 CDBDRO C[NH+](C)CCC(=O)NCCNc1ccc([N+](=O)[O-])cc1F ZINC001094090144 910324400 /nfs/dbraw/zinc/32/44/00/910324400.db2.gz ZQTWNZXEHXONGI-UHFFFAOYSA-N 1 0 298.318 1.214 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCCO)CC2 ZINC001172896678 912050994 /nfs/dbraw/zinc/05/09/94/912050994.db2.gz QXDHOMLDXPCQSD-CYBMUJFWSA-N 1 0 264.325 1.814 20 5 CDBDRO CN1CC(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172911007 912102567 /nfs/dbraw/zinc/10/25/67/912102567.db2.gz GPMBHRAWCDXRRH-HNNXBMFYSA-N 1 0 289.379 1.993 20 5 CDBDRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912019 912103737 /nfs/dbraw/zinc/10/37/37/912103737.db2.gz LIZDEJRGVWWYCS-GXFFZTMASA-N 1 0 291.351 1.566 20 5 CDBDRO Cc1nc(N2C[C@H](C)CC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC001164063366 924545180 /nfs/dbraw/zinc/54/51/80/924545180.db2.gz RZOWXQNFJFHHHB-KOLCDFICSA-N 1 0 264.329 1.862 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[NH2+]CC[C@H]32)c(F)c1 ZINC001165296895 925012864 /nfs/dbraw/zinc/01/28/64/925012864.db2.gz YXROBCPLRLWLMR-VHSXEESVSA-N 1 0 252.249 1.070 20 5 CDBDRO CN(c1ncc([N+](=O)[O-])c2ccccc21)C1C[NH2+]C1 ZINC001166978551 925385332 /nfs/dbraw/zinc/38/53/32/925385332.db2.gz UELQSLXAUPRBGF-UHFFFAOYSA-N 1 0 258.281 1.551 20 5 CDBDRO CC[C@H]([NH3+])Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001205837673 925407454 /nfs/dbraw/zinc/40/74/54/925407454.db2.gz XETZABWZXPYIEB-ZETCQYMHSA-N 1 0 281.247 1.459 20 5 CDBDRO [NH3+]Cc1cn(-c2ncnc3ccc([N+](=O)[O-])cc32)cn1 ZINC001154906119 926016790 /nfs/dbraw/zinc/01/67/90/926016790.db2.gz AVOMGZXROQCBJY-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CC[NH2+][C@H]1C)CC2 ZINC000843492893 937156634 /nfs/dbraw/zinc/15/66/34/937156634.db2.gz AFAFAVBXYJNBKS-JQWIXIFHSA-N 1 0 289.335 1.790 20 5 CDBDRO [NH3+]Cc1nnnn1-c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001168920002 927542564 /nfs/dbraw/zinc/54/25/64/927542564.db2.gz HMTMWWPTOOXENY-UHFFFAOYSA-N 1 0 288.189 1.048 20 5 CDBDRO COC1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168977772 927565865 /nfs/dbraw/zinc/56/58/65/927565865.db2.gz LTSMWPDSGNHJQM-QCXCNERSSA-N 1 0 256.346 1.979 20 5 CDBDRO COC(=O)c1cccnc1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168980254 927569186 /nfs/dbraw/zinc/56/91/86/927569186.db2.gz CKTNXQUOGGYWRA-WDEREUQCSA-N 1 0 293.323 1.403 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc3c2OCO3)C1 ZINC001168979490 927569268 /nfs/dbraw/zinc/56/92/68/927569268.db2.gz YNBQGHZXGIKPIG-PWSUYJOCSA-N 1 0 278.308 1.950 20 5 CDBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)ccn1 ZINC001168956913 927577273 /nfs/dbraw/zinc/57/72/73/927577273.db2.gz CPOOCOGLFPEURL-VXGBXAGGSA-N 1 0 265.313 1.625 20 5 CDBDRO O=c1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c[nH]1 ZINC001168970371 927595199 /nfs/dbraw/zinc/59/51/99/927595199.db2.gz GZFHDUKATQOFMT-ONGXEEELSA-N 1 0 251.286 1.322 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(C3CCOCC3)CC2)C1 ZINC001168974402 927596626 /nfs/dbraw/zinc/59/66/26/927596626.db2.gz QCYFEIKNOZTSGN-YPMHNXCESA-N 1 0 268.357 1.981 20 5 CDBDRO NC(=[NH2+])N(c1ccccc1F)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168973889 927597435 /nfs/dbraw/zinc/59/74/35/927597435.db2.gz PIFBDEXHMPNNDL-ZJUUUORDSA-N 1 0 280.303 1.971 20 5 CDBDRO CC(C)n1cncc1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168997478 927603940 /nfs/dbraw/zinc/60/39/40/927603940.db2.gz ZTFPDZABCBBJQS-NWDGAFQWSA-N 1 0 266.345 1.999 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@]23CCCOC3)C1 ZINC001169001426 927606254 /nfs/dbraw/zinc/60/62/54/927606254.db2.gz FXJXENRQYMVCSP-MROQNXINSA-N 1 0 254.330 1.591 20 5 CDBDRO O=C1COC2(C1)CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169014045 927619908 /nfs/dbraw/zinc/61/99/08/927619908.db2.gz YJMSWEUFOBZXEF-VXGBXAGGSA-N 1 0 282.340 1.256 20 5 CDBDRO O=C1COC2(C1)CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169014044 927620455 /nfs/dbraw/zinc/62/04/55/927620455.db2.gz YJMSWEUFOBZXEF-RYUDHWBXSA-N 1 0 282.340 1.256 20 5 CDBDRO CC(C)(C)NC(=O)CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987877 927624419 /nfs/dbraw/zinc/62/44/19/927624419.db2.gz LAKWAZCYEDWTKL-WDEREUQCSA-N 1 0 271.361 1.326 20 5 CDBDRO CC(C)(CC(=O)N1CCCC1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987854 927624556 /nfs/dbraw/zinc/62/45/56/927624556.db2.gz KUSMYFUIHYZSNA-CHWSQXEVSA-N 1 0 297.399 1.813 20 5 CDBDRO CC(C)(CC(=O)N1CCCC1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987856 927625242 /nfs/dbraw/zinc/62/52/42/927625242.db2.gz KUSMYFUIHYZSNA-QWHCGFSZSA-N 1 0 297.399 1.813 20 5 CDBDRO COc1cccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168990242 927630463 /nfs/dbraw/zinc/63/04/63/927630463.db2.gz YYHRBXCDJPDRGR-WDEREUQCSA-N 1 0 265.313 1.625 20 5 CDBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169027011 927632410 /nfs/dbraw/zinc/63/24/10/927632410.db2.gz OQXIVCUSIMZBSI-YNEHKIRRSA-N 1 0 283.372 1.232 20 5 CDBDRO CCOC(=O)[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169033655 927640452 /nfs/dbraw/zinc/64/04/52/927640452.db2.gz CZFWEROHJHMMQO-UTUOFQBUSA-N 1 0 270.329 1.317 20 5 CDBDRO CC(=O)N1CCC([N@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169037742 927646573 /nfs/dbraw/zinc/64/65/73/927646573.db2.gz TXZKUKDYYJZDBS-OCCSQVGLSA-N 1 0 283.372 1.375 20 5 CDBDRO O=C1NC[C@]2(CCC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)O1 ZINC001169039240 927650607 /nfs/dbraw/zinc/65/06/07/927650607.db2.gz OMZVUYUEKSAMHH-GVXVVHGQSA-N 1 0 283.328 1.006 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](Oc3ccncc3)C2)C1 ZINC001169039666 927650926 /nfs/dbraw/zinc/65/09/26/927650926.db2.gz RXVDZNINVOHINO-UMVBOHGHSA-N 1 0 291.351 1.980 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3COC[C@@H]3C2)C1 ZINC001169040088 927653384 /nfs/dbraw/zinc/65/33/84/927653384.db2.gz XSMNURVRLUWRBK-VOAKCMCISA-N 1 0 254.330 1.400 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCn3nccc3C2)C1 ZINC001169044605 927656999 /nfs/dbraw/zinc/65/69/99/927656999.db2.gz IKXPDTLJKZJLCU-WDEREUQCSA-N 1 0 250.302 1.144 20 5 CDBDRO CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169026815 927666219 /nfs/dbraw/zinc/66/62/19/927666219.db2.gz OJKWTZALYLXKCV-JHJVBQTASA-N 1 0 269.345 1.032 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N(c2ccccn2)[C@@H]2CC[NH2+]C2)C1 ZINC001169053857 927670884 /nfs/dbraw/zinc/67/08/84/927670884.db2.gz JWXSYFIOEVUILL-MGPQQGTHSA-N 1 0 290.367 1.695 20 5 CDBDRO COC(=O)[C@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1C ZINC001169057699 927676115 /nfs/dbraw/zinc/67/61/15/927676115.db2.gz XBBSSQIAIGRJFE-YFKTTZPYSA-N 1 0 270.329 1.173 20 5 CDBDRO COc1c(F)cc(-n2ccc([C@@H](C)[NH3+])n2)cc1[N+](=O)[O-] ZINC001169232258 927845614 /nfs/dbraw/zinc/84/56/14/927845614.db2.gz BYXMEVLRFJKGMV-SSDOTTSWSA-N 1 0 280.259 1.948 20 5 CDBDRO O=[N+]([O-])c1ncccc1NCc1ncn2c1C[NH2+]CCC2 ZINC001169242647 927876904 /nfs/dbraw/zinc/87/69/04/927876904.db2.gz RDCNADBSTBFGFG-UHFFFAOYSA-N 1 0 288.311 1.292 20 5 CDBDRO COc1nc(N2CC[C@H]([N@H+](C)C(C)C)C2)ccc1[N+](=O)[O-] ZINC001157010844 929106774 /nfs/dbraw/zinc/10/67/74/929106774.db2.gz UCCVRSIPDGTPDD-NSHDSACASA-N 1 0 294.355 1.917 20 5 CDBDRO Cc1cc(Cl)c(NC[C@@H]2COCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001170050008 929174966 /nfs/dbraw/zinc/17/49/66/929174966.db2.gz GGYMCKGBLBOZJV-SECBINFHSA-N 1 0 285.731 1.957 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1NCC[C@@H](C)[NH3+] ZINC001170891386 930684923 /nfs/dbraw/zinc/68/49/23/930684923.db2.gz VXJMPAUHHNCYAI-MRVPVSSYSA-N 1 0 267.285 1.531 20 5 CDBDRO CCC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001154006783 937491510 /nfs/dbraw/zinc/49/15/10/937491510.db2.gz KYJAHQKTNXXFAI-UHFFFAOYSA-N 1 0 271.342 1.662 20 5 CDBDRO [NH3+]Cc1cn(-c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)cn1 ZINC001154910095 937603600 /nfs/dbraw/zinc/60/36/00/937603600.db2.gz VZCIZYIXHBVVKR-UHFFFAOYSA-N 1 0 296.290 1.696 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CCC[NH3+] ZINC001118220411 937604524 /nfs/dbraw/zinc/60/45/24/937604524.db2.gz FZFUKHUPIHKCCU-VIFPVBQESA-N 1 0 280.328 1.494 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])n[nH]2)C1 ZINC001155044101 937626136 /nfs/dbraw/zinc/62/61/36/937626136.db2.gz WIIVMWDHMQCUMM-DTWKUNHWSA-N 1 0 281.316 1.377 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(NC[C@@H]2CCC[NH2+]C[C@@H]2C)n1 ZINC001155025065 937622493 /nfs/dbraw/zinc/62/24/93/937622493.db2.gz LJOUUEDLEHAXRV-ONGXEEELSA-N 1 0 279.344 1.741 20 5 CDBDRO Cc1cnc(NC[C@@H]2C[C@H](F)C[NH2+]2)c([N+](=O)[O-])c1 ZINC001155029692 937623366 /nfs/dbraw/zinc/62/33/66/937623366.db2.gz MOSOELFYSKGKAG-IUCAKERBSA-N 1 0 254.265 1.410 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001155188139 937645969 /nfs/dbraw/zinc/64/59/69/937645969.db2.gz SAOSXOKPYJAVRR-HTRCEHHLSA-N 1 0 272.692 1.044 20 5 CDBDRO CCC(C)(C)[NH+]1CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001120863246 937843007 /nfs/dbraw/zinc/84/30/07/937843007.db2.gz ZMEYCMYDRCHZGE-UHFFFAOYSA-N 1 0 293.371 1.883 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC1C[NH2+]C1 ZINC001122009720 937898865 /nfs/dbraw/zinc/89/88/65/937898865.db2.gz CMEIEUJLOKNWMA-UHFFFAOYSA-N 1 0 281.337 1.266 20 5 CDBDRO C[C@H](NC(=O)[C@H](C)[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001122252327 937915611 /nfs/dbraw/zinc/91/56/11/937915611.db2.gz PDSJWLAFGOHVFS-UWVGGRQHSA-N 1 0 277.324 1.913 20 5 CDBDRO O=C(CC1CC1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001122531830 937939999 /nfs/dbraw/zinc/93/99/99/937939999.db2.gz IUZRCDGRTWQSKY-UHFFFAOYSA-N 1 0 283.353 1.662 20 5 CDBDRO CN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001156172578 938327828 /nfs/dbraw/zinc/32/78/28/938327828.db2.gz RIBKDMJWUJVHPM-UHFFFAOYSA-N 1 0 281.272 1.086 20 5 CDBDRO CN(c1ncc([N+](=O)[O-])cc1F)[C@]1(C)CCC[NH2+]C1 ZINC001156957693 938438631 /nfs/dbraw/zinc/43/86/31/938438631.db2.gz YCXCDDVDLOYYSZ-GFCCVEGCSA-N 1 0 268.292 1.707 20 5 CDBDRO [NH3+]Cc1cnn(-c2nccc3cc([N+](=O)[O-])ccc32)c1 ZINC001157478305 938499368 /nfs/dbraw/zinc/49/93/68/938499368.db2.gz SLAROWALVYSFEA-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO C[NH2+]CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C ZINC001157825797 938552153 /nfs/dbraw/zinc/55/21/53/938552153.db2.gz SDFYTBCBYMOWCN-UHFFFAOYSA-N 1 0 297.315 1.722 20 5 CDBDRO COc1cnc(NCC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001157942460 938567088 /nfs/dbraw/zinc/56/70/88/938567088.db2.gz ZTKYNJNKVCGBSJ-UHFFFAOYSA-N 1 0 282.344 1.998 20 5 CDBDRO [NH3+]CCc1cnn(-c2cnc3ccc([N+](=O)[O-])cc3n2)c1 ZINC001158099508 938582995 /nfs/dbraw/zinc/58/29/95/938582995.db2.gz SMKNNJPNTFQQDO-UHFFFAOYSA-N 1 0 284.279 1.225 20 5 CDBDRO Cc1cnc(C[NH3+])n1-c1ncc([N+](=O)[O-])cc1Cl ZINC001158162710 938588573 /nfs/dbraw/zinc/58/85/73/938588573.db2.gz DFTVMZLZNNELKI-UHFFFAOYSA-N 1 0 267.676 1.596 20 5 CDBDRO C[C@H]([NH3+])c1ccn(-c2ncc(Cl)cc2[N+](=O)[O-])n1 ZINC001158345363 938611431 /nfs/dbraw/zinc/61/14/31/938611431.db2.gz LWJXRHYEMRNMCQ-LURJTMIESA-N 1 0 267.676 1.849 20 5 CDBDRO O=[N+]([O-])c1ccc2ncc(N3CC[N@@H+]4CC[C@H]4C3)nc2c1 ZINC001158424064 938622514 /nfs/dbraw/zinc/62/25/14/938622514.db2.gz SDZOKDAWFBRHDQ-NSHDSACASA-N 1 0 285.307 1.432 20 5 CDBDRO Cc1nc(N2CCC[C@](C)(C[NH3+])C2)ncc1[N+](=O)[O-] ZINC001158682292 938650336 /nfs/dbraw/zinc/65/03/36/938650336.db2.gz CGUCJKAWKNWBTF-GFCCVEGCSA-N 1 0 265.317 1.258 20 5 CDBDRO [NH3+]Cc1ccn(-c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])c1 ZINC001158766629 938661842 /nfs/dbraw/zinc/66/18/42/938661842.db2.gz JJLLVLGRFPTCHK-UHFFFAOYSA-N 1 0 268.660 1.131 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCC2(C[NH2+]C2)CC1 ZINC001159042541 938695983 /nfs/dbraw/zinc/69/59/83/938695983.db2.gz XGWFTNTXSDJHJU-UHFFFAOYSA-N 1 0 299.334 1.728 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CCC4(C[NH2+]C4)CC3)nc21 ZINC001159043373 938696411 /nfs/dbraw/zinc/69/64/11/938696411.db2.gz XUCKNCNGFHRXRC-UHFFFAOYSA-N 1 0 287.323 1.661 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)[C@H]2C[NH2+]CCO2)n1 ZINC001159498687 938734976 /nfs/dbraw/zinc/73/49/76/938734976.db2.gz MEFSCDOAAUJACY-GHMZBOCLSA-N 1 0 280.328 1.395 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1NCC[NH+](C)C ZINC001161668302 938918922 /nfs/dbraw/zinc/91/89/22/938918922.db2.gz CCMBKGOOKQWGLE-UHFFFAOYSA-N 1 0 267.285 1.355 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(NCCN2CCC([NH3+])CC2)n1 ZINC001161867832 938937497 /nfs/dbraw/zinc/93/74/97/938937497.db2.gz QKWOFBMKDYCIAV-UHFFFAOYSA-N 1 0 293.371 1.442 20 5 CDBDRO C[N@@H+]1CCC[C@](C)(Nc2cccc([N+](=O)[O-])n2)C1 ZINC001162342947 939031893 /nfs/dbraw/zinc/03/18/93/939031893.db2.gz XUFDYXSUGLCLLO-LBPRGKRZSA-N 1 0 250.302 1.886 20 5 CDBDRO COc1cc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)ncc1[N+](=O)[O-] ZINC001162791287 939141136 /nfs/dbraw/zinc/14/11/36/939141136.db2.gz APUBUQQGEUQBDK-IVZWLZJFSA-N 1 0 276.296 1.184 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC1CC2(C1)CCC[NH2+]C2 ZINC001162982307 939168580 /nfs/dbraw/zinc/16/85/80/939168580.db2.gz XYYVMDIHCWLUGG-UHFFFAOYSA-N 1 0 292.339 1.481 20 5 CDBDRO O=[N+]([O-])c1c(F)cc(F)cc1NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001163153735 939214615 /nfs/dbraw/zinc/21/46/15/939214615.db2.gz IFUAEJMICUFSRG-SDBXPKJASA-N 1 0 299.277 1.521 20 5 CDBDRO C[NH2+]C1CN(c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)nn2)C1 ZINC001163705560 939311579 /nfs/dbraw/zinc/31/15/79/939311579.db2.gz FDHRTKXFTCHKGU-UHFFFAOYSA-N 1 0 299.334 1.768 20 5 CDBDRO CC1CC(N(C)c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001164198511 939429123 /nfs/dbraw/zinc/42/91/23/939429123.db2.gz FIBWVYFANROOLY-UHFFFAOYSA-N 1 0 277.328 1.306 20 5 CDBDRO COCCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC001165095072 939509415 /nfs/dbraw/zinc/50/94/15/939509415.db2.gz QWDRGXUVBYPKLL-UHFFFAOYSA-N 1 0 294.355 1.457 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[NH2+]CC[C@H]32)n1 ZINC001165299165 939542434 /nfs/dbraw/zinc/54/24/34/939542434.db2.gz BVLNHUHYKXWXFY-WDEREUQCSA-N 1 0 262.313 1.547 20 5 CDBDRO C[C@H](Oc1ccc(N)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001218007585 941035523 /nfs/dbraw/zinc/03/55/23/941035523.db2.gz ZMWWJZDMAJJTNJ-VIFPVBQESA-N 1 0 265.313 1.944 20 5 CDBDRO CC(=O)c1cccc(O[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001218283694 941051338 /nfs/dbraw/zinc/05/13/38/941051338.db2.gz KVQREXGBDFZZMK-JTQLQIEISA-N 1 0 264.281 1.928 20 5 CDBDRO Nc1ccc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)cc1[N+](=O)[O-] ZINC001218463425 941220427 /nfs/dbraw/zinc/22/04/27/941220427.db2.gz HPKVALJFOFCOSV-DFAYQTQMSA-N 1 0 263.297 1.554 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](O)C2CCC2)cc1 ZINC000316240836 941478145 /nfs/dbraw/zinc/47/81/45/941478145.db2.gz DTOCFQRKFAXBII-ZIAGYGMSSA-N 1 0 280.324 1.379 20 5 CDBDRO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@@H](C)C[NH+](C)C ZINC001222772409 941633230 /nfs/dbraw/zinc/63/32/30/941633230.db2.gz BTJRIWGDWAMCJE-JTQLQIEISA-N 1 0 296.323 1.848 20 5 CDBDRO CCOc1cccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001223768622 941697517 /nfs/dbraw/zinc/69/75/17/941697517.db2.gz KFZAXESSZISNOR-CQSZACIVSA-N 1 0 296.387 1.586 20 5 CDBDRO COc1cc(CO[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC001223905081 941705809 /nfs/dbraw/zinc/70/58/09/941705809.db2.gz BLPSNQMTGWPYOP-LLVKDONJSA-N 1 0 296.323 1.833 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCc1ccsc1 ZINC001224539724 941768009 /nfs/dbraw/zinc/76/80/09/941768009.db2.gz SWPSLOGOVSPDTD-GFCCVEGCSA-N 1 0 272.390 1.291 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cn2)C1 ZINC001225634312 941892620 /nfs/dbraw/zinc/89/26/20/941892620.db2.gz URNAFWYBRZYPMU-LLVKDONJSA-N 1 0 251.286 1.851 20 5 CDBDRO Cc1ccnc(O[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001226115875 941953195 /nfs/dbraw/zinc/95/31/95/941953195.db2.gz JWKBLKNLFZBJQE-SNVBAGLBSA-N 1 0 251.286 1.771 20 5 CDBDRO Cc1cc(O)c(C)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001226524363 942020730 /nfs/dbraw/zinc/02/07/30/942020730.db2.gz VDQNXNJPKQLCLE-GFCCVEGCSA-O 1 0 282.360 1.372 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2c1NC(=O)CO2 ZINC001226637273 942038262 /nfs/dbraw/zinc/03/82/62/942038262.db2.gz NIHNXNUDSGAFMP-JTQLQIEISA-O 1 0 265.333 1.491 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2c1CCC2 ZINC001226793808 942072026 /nfs/dbraw/zinc/07/20/26/942072026.db2.gz CZXWLKLOLNHIDM-CYBMUJFWSA-N 1 0 278.372 1.538 20 5 CDBDRO C[N@@H+]1CC[C@H](Oc2cc(Cl)c([N+](=O)[O-])cn2)C1 ZINC001226918477 942094718 /nfs/dbraw/zinc/09/47/18/942094718.db2.gz XKBSERRFAGWTBN-ZETCQYMHSA-N 1 0 257.677 1.726 20 5 CDBDRO COC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1CC[N@H+](C)C1 ZINC001227122734 942137052 /nfs/dbraw/zinc/13/70/52/942137052.db2.gz TXBOJCMZLSIEAU-VIFPVBQESA-N 1 0 280.280 1.464 20 5 CDBDRO O=[N+]([O-])c1c[nH]cc2nc(O[C@@H]3C[NH+]4CCC3CC4)nc1-2 ZINC001230230027 942592506 /nfs/dbraw/zinc/59/25/06/942592506.db2.gz JRBPBEHXIUAHAD-LLVKDONJSA-N 1 0 289.295 1.339 20 5 CDBDRO CCC(=O)NCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001230969805 942745846 /nfs/dbraw/zinc/74/58/46/942745846.db2.gz UHOKXRZGKJOZQZ-UHFFFAOYSA-N 1 0 279.340 1.943 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001262652767 943657237 /nfs/dbraw/zinc/65/72/37/943657237.db2.gz PKYHSENXQMTHFQ-JTQLQIEISA-N 1 0 280.328 1.147 20 5 CDBDRO COC(=O)c1ccc(O[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001234049510 943727248 /nfs/dbraw/zinc/72/72/48/943727248.db2.gz YDVKZARGPSFAMN-SNVBAGLBSA-N 1 0 280.280 1.464 20 5 CDBDRO C[NH2+]CCCC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001263197086 943783302 /nfs/dbraw/zinc/78/33/02/943783302.db2.gz MGUGEYLDJDKEEO-JTQLQIEISA-N 1 0 265.313 1.772 20 5 CDBDRO CCc1ccc(OC)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001234645812 943925920 /nfs/dbraw/zinc/92/59/20/943925920.db2.gz XSAOTVJBNOPNEZ-CYBMUJFWSA-N 1 0 296.387 1.620 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC001261851284 946303317 /nfs/dbraw/zinc/30/33/17/946303317.db2.gz ODSJLPONQGNCKO-LLVKDONJSA-N 1 0 279.344 1.614 20 5 CDBDRO C[C@@H](NC(=O)N1CC[NH2+][C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001262592568 946746833 /nfs/dbraw/zinc/74/68/33/946746833.db2.gz VMFNCPLDUSCCCU-GHMZBOCLSA-N 1 0 292.339 1.659 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(CCO)COC1 ZINC001254536054 947515865 /nfs/dbraw/zinc/51/58/65/947515865.db2.gz AFJJGJCEJVJGLA-LLVKDONJSA-N 1 0 280.324 1.267 20 5 CDBDRO CC(C)C[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254574538 947533800 /nfs/dbraw/zinc/53/38/00/947533800.db2.gz IBAJXDXXHCHUJN-OCCSQVGLSA-N 1 0 291.351 1.552 20 5 CDBDRO CC[C@H](C)[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254575185 947535276 /nfs/dbraw/zinc/53/52/76/947535276.db2.gz PJJYFBHLKWBTGA-BHYNMZESSA-N 1 0 291.351 1.552 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@H](O)C1CC1)C2 ZINC001254583752 947539537 /nfs/dbraw/zinc/53/95/37/947539537.db2.gz DAPGCYSSDPRPTQ-OCCSQVGLSA-N 1 0 262.309 1.423 20 5 CDBDRO CC[N@H+](C1COC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602605 947553704 /nfs/dbraw/zinc/55/37/04/947553704.db2.gz GVFOSOOYMHLSIE-CYBMUJFWSA-N 1 0 262.309 1.783 20 5 CDBDRO CC(=O)[C@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254608631 947554961 /nfs/dbraw/zinc/55/49/61/947554961.db2.gz RLVLPJMEPYECBU-SWLSCSKDSA-N 1 0 274.320 1.973 20 5 CDBDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254610224 947556076 /nfs/dbraw/zinc/55/60/76/947556076.db2.gz JLKBRCDSMJXYQU-PMPSAXMXSA-N 1 0 287.363 1.840 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCNC[C@@H]1F ZINC001246091927 947941204 /nfs/dbraw/zinc/94/12/04/947941204.db2.gz MBBGAUUIACURRE-DRZSPHRISA-N 1 0 281.331 1.815 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1F)C2 ZINC001246477292 948194278 /nfs/dbraw/zinc/19/42/78/948194278.db2.gz NOUPEKWVSKPZRZ-KWCYVHTRSA-N 1 0 279.315 1.352 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[C@@H]3[NH2+]CCC[C@@H]3C2)C1 ZINC001247012423 948574502 /nfs/dbraw/zinc/57/45/02/948574502.db2.gz DKMVIEVPCUFOKW-MQYQWHSLSA-N 1 0 267.373 1.506 20 5 CDBDRO [NH3+][C@H]1CCC[C@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247694964 948706267 /nfs/dbraw/zinc/70/62/67/948706267.db2.gz GMLQYPFKECFFJP-SFYZADRCSA-N 1 0 293.258 1.774 20 5 CDBDRO CC[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001329119106 955697950 /nfs/dbraw/zinc/69/79/50/955697950.db2.gz UZIKEXQYKFUOOI-UHFFFAOYSA-N 1 0 263.297 1.089 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC001332431735 957562363 /nfs/dbraw/zinc/56/23/63/957562363.db2.gz KKSKIVRXYHHDNG-CQSZACIVSA-N 1 0 292.339 1.447 20 5 CDBDRO CCN(CC[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001332871970 957905118 /nfs/dbraw/zinc/90/51/18/957905118.db2.gz QCLOGFXRPWEQAE-OAHLLOKOSA-N 1 0 277.368 1.860 20 5 CDBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC[N+](=O)[O-] ZINC001334683879 959285149 /nfs/dbraw/zinc/28/51/49/959285149.db2.gz DKISRIFFCBDXSZ-DZGCQCFKSA-N 1 0 277.368 1.763 20 5 CDBDRO CCN1CCC[C@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335338487 959724261 /nfs/dbraw/zinc/72/42/61/959724261.db2.gz SSVGQGKHSQEOHD-LSDHHAIUSA-N 1 0 293.367 1.702 20 5 CDBDRO Nc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ncc1[N+](=O)[O-] ZINC001337732703 961390835 /nfs/dbraw/zinc/39/08/35/961390835.db2.gz DPDDJCTWHGKAMP-ZJUUUORDSA-N 1 0 277.328 1.611 20 5 CDBDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC001341468578 963427805 /nfs/dbraw/zinc/42/78/05/963427805.db2.gz YNDMCYSAMBUAMM-LBPRGKRZSA-N 1 0 293.323 1.088 20 5 CDBDRO Cc1cc(C(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1[N+](=O)[O-] ZINC001342027268 963615189 /nfs/dbraw/zinc/61/51/89/963615189.db2.gz LQIANKKAFWKLEL-PJXYFTJBSA-N 1 0 275.308 1.193 20 5 CDBDRO [NH3+][C@H]1C[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC001342170894 963660806 /nfs/dbraw/zinc/66/08/06/963660806.db2.gz QJNPXGMRNDPITM-KYZUINATSA-N 1 0 281.337 1.293 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC001342176412 963663948 /nfs/dbraw/zinc/66/39/48/963663948.db2.gz QEYPDVORLOUARL-MRVPVSSYSA-N 1 0 283.353 1.654 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC001347500630 965558896 /nfs/dbraw/zinc/55/88/96/965558896.db2.gz COCKEFAWGBTZJX-LLVKDONJSA-N 1 0 295.314 1.948 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC001347505076 965562671 /nfs/dbraw/zinc/56/26/71/965562671.db2.gz VLCNQNCDWJIWPZ-NSHDSACASA-N 1 0 277.324 1.809 20 5 CDBDRO Cn1ccnc1CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC001349649886 966420576 /nfs/dbraw/zinc/42/05/76/966420576.db2.gz UVUMBJBAXWICCX-UHFFFAOYSA-N 1 0 292.270 1.440 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001353602491 968096909 /nfs/dbraw/zinc/09/69/09/968096909.db2.gz PJXSZUNKPCAZRZ-ICCXJUOJSA-N 1 0 277.324 1.552 20 5 CDBDRO C[C@H](C[NH3+])C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001354829599 968922125 /nfs/dbraw/zinc/92/21/25/968922125.db2.gz KYFWTMWVBUMUJF-BDAKNGLRSA-N 1 0 251.286 1.367 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cccc1[N+](=O)[O-] ZINC001521603420 970325204 /nfs/dbraw/zinc/32/52/04/970325204.db2.gz GZWSPOHVZJFAQX-YNEHKIRRSA-N 1 0 289.335 1.660 20 5 CDBDRO [NH3+]C1(CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001523344058 970687360 /nfs/dbraw/zinc/68/73/60/970687360.db2.gz BJLJRYBDNRYMHC-VXGBXAGGSA-N 1 0 275.308 1.306 20 5 CDBDRO [NH3+]C1(CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001523344031 970688240 /nfs/dbraw/zinc/68/82/40/970688240.db2.gz BJLJRYBDNRYMHC-NEPJUHHUSA-N 1 0 275.308 1.306 20 5 CDBDRO Cc1cc(Cl)nc(N2C[C@@H]([NH3+])C3(COC3)C2)c1[N+](=O)[O-] ZINC001158762250 1163538168 /nfs/dbraw/zinc/53/81/68/1163538168.db2.gz LQUHBNZQLSOHSN-MRVPVSSYSA-N 1 0 298.730 1.116 20 5 CDBDRO CC(C)C[NH2+]CC(=O)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001575604712 1171217567 /nfs/dbraw/zinc/21/75/67/1171217567.db2.gz ZWCSJBONYAROPA-UHFFFAOYSA-N 1 0 295.314 1.869 20 5 CDBDRO CC[NH2+]CC(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001577831912 1171751580 /nfs/dbraw/zinc/75/15/80/1171751580.db2.gz QGYSXODPVBXLDE-UHFFFAOYSA-N 1 0 273.239 1.099 20 5 CDBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000600177733 341983304 /nfs/dbraw/zinc/98/33/04/341983304.db2.gz COQZBWISMPDLFV-DRDHIDPGSA-N 1 0 292.335 1.691 20 5 CDBDRO Cc1cc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000320642207 341993898 /nfs/dbraw/zinc/99/38/98/341993898.db2.gz DUWHQCPTSSOBGR-UWVGGRQHSA-N 1 0 265.313 1.759 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000320796527 341994719 /nfs/dbraw/zinc/99/47/19/341994719.db2.gz GPKADMSRHUOJKA-RNFRBKRXSA-N 1 0 257.315 1.512 20 5 CDBDRO CCOc1cc(NCC[N@@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000599199254 343979167 /nfs/dbraw/zinc/97/91/67/343979167.db2.gz IHVHQOPSOFETPB-LBPRGKRZSA-N 1 0 295.339 1.472 20 5 CDBDRO CC(C)[C@H]1CN(c2cccnc2[N+](=O)[O-])CC[N@@H+]1C ZINC000601262412 342539924 /nfs/dbraw/zinc/53/99/24/342539924.db2.gz CDLOSLFDKBKCRE-GFCCVEGCSA-N 1 0 264.329 1.766 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000127648768 187323881 /nfs/dbraw/zinc/32/38/81/187323881.db2.gz YSGXUQPVPWEKFG-NEPJUHHUSA-N 1 0 275.308 1.561 20 5 CDBDRO CN(CCC(N)=O)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000353177784 365525296 /nfs/dbraw/zinc/52/52/96/365525296.db2.gz WOZHLFAJISAKHO-UHFFFAOYSA-N 1 0 271.704 1.555 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCCC[C@H]2F)c1 ZINC000564857077 365537248 /nfs/dbraw/zinc/53/72/48/365537248.db2.gz WYPAJXKPPPWQBT-QJPTWQEYSA-N 1 0 286.307 1.023 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000601329895 342554750 /nfs/dbraw/zinc/55/47/50/342554750.db2.gz OEBUBZSMIATTGM-WDEREUQCSA-N 1 0 265.313 1.395 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000127703702 187327028 /nfs/dbraw/zinc/32/70/28/187327028.db2.gz QNHHOTLDPJPLRC-CYBMUJFWSA-N 1 0 277.324 1.348 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+]CCc2cn[nH]n2)cc1[N+](=O)[O-] ZINC000590605283 342578201 /nfs/dbraw/zinc/57/82/01/342578201.db2.gz HNJFNXXCDLFVHC-JTQLQIEISA-N 1 0 275.312 1.915 20 5 CDBDRO C[C@@]1(O)CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000124888368 187159654 /nfs/dbraw/zinc/15/96/54/187159654.db2.gz MDXPTPFBNZYNCZ-CQSZACIVSA-N 1 0 264.325 1.984 20 5 CDBDRO C[NH+]1CC2(C1)CCN(C(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000618921255 349557048 /nfs/dbraw/zinc/55/70/48/349557048.db2.gz QLYDCBIZWRTVQP-UHFFFAOYSA-N 1 0 275.308 1.373 20 5 CDBDRO CC(C)[NH+]1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000046055277 342127798 /nfs/dbraw/zinc/12/77/98/342127798.db2.gz FNOBGMQVCRPWRF-UHFFFAOYSA-N 1 0 293.367 2.000 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@H]4CC[NH2+][C@H]4C3)c21 ZINC000591437329 342631952 /nfs/dbraw/zinc/63/19/52/342631952.db2.gz GKLUXBHUGSVPTL-PWSUYJOCSA-N 1 0 299.334 1.726 20 5 CDBDRO O=[N+]([O-])c1cc(CN2CC[C@H]3CC[NH2+][C@@H]3C2)cs1 ZINC000591448499 342632804 /nfs/dbraw/zinc/63/28/04/342632804.db2.gz JINWPUIBDNWOPO-GHMZBOCLSA-N 1 0 267.354 1.840 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCCN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591448173 342632834 /nfs/dbraw/zinc/63/28/34/342632834.db2.gz GABJUSWSKHVAQH-QWHCGFSZSA-N 1 0 291.351 1.657 20 5 CDBDRO Cc1ccc(NC(=O)[C@@H]2[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000591672493 342641366 /nfs/dbraw/zinc/64/13/66/342641366.db2.gz CTVAHEMYCJULNY-NSHDSACASA-N 1 0 263.297 1.840 20 5 CDBDRO O=C(CC[NH2+][C@@H]1CCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000591756888 342643925 /nfs/dbraw/zinc/64/39/25/342643925.db2.gz AQDPVCMUESANGH-SNVBAGLBSA-N 1 0 279.296 1.302 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccoc2)c1 ZINC000591728516 342644584 /nfs/dbraw/zinc/64/45/84/342644584.db2.gz PLJBPJJURAGUOF-CYBMUJFWSA-N 1 0 292.291 1.717 20 5 CDBDRO COc1cccc(C(=O)NC2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC000592292574 342683982 /nfs/dbraw/zinc/68/39/82/342683982.db2.gz OHLHVJDRLSNPLY-UHFFFAOYSA-N 1 0 293.323 1.603 20 5 CDBDRO COc1cccc(C(=O)NCCC[NH2+]C(C)C)c1[N+](=O)[O-] ZINC000592296033 342684026 /nfs/dbraw/zinc/68/40/26/342684026.db2.gz VGXYBHYEHAPIKB-UHFFFAOYSA-N 1 0 295.339 1.721 20 5 CDBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000236931167 361830788 /nfs/dbraw/zinc/83/07/88/361830788.db2.gz LUWVQTPPCSKXKA-MFKMUULPSA-N 1 0 279.340 1.627 20 5 CDBDRO CC(C)(C)[NH2+]CCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611709339 346855322 /nfs/dbraw/zinc/85/53/22/346855322.db2.gz HTFXOWNZCOOAGS-UHFFFAOYSA-N 1 0 289.339 1.760 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CC1([NH3+])CCC1 ZINC000592047227 342661304 /nfs/dbraw/zinc/66/13/04/342661304.db2.gz NDHUXCKTERSPJZ-UHFFFAOYSA-N 1 0 293.323 1.491 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000154029064 342154554 /nfs/dbraw/zinc/15/45/54/342154554.db2.gz FNOYSHVMWQVQTJ-MNOVXSKESA-N 1 0 293.323 1.312 20 5 CDBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000592472612 342698636 /nfs/dbraw/zinc/69/86/36/342698636.db2.gz HVOQCOOUKGVVGS-VIFPVBQESA-N 1 0 253.277 1.528 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000592475615 342699003 /nfs/dbraw/zinc/69/90/03/342699003.db2.gz QRVUEKMVNSSNOU-NOZJJQNGSA-N 1 0 283.303 1.282 20 5 CDBDRO O=C([C@H]1CCC[NH2+]1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000592533351 342705241 /nfs/dbraw/zinc/70/52/41/342705241.db2.gz BOTLWAJLCXLGCC-SNVBAGLBSA-N 1 0 261.281 1.236 20 5 CDBDRO C[C@@H](CCO)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000593109026 342769098 /nfs/dbraw/zinc/76/90/98/342769098.db2.gz GJJQQTQFYOQIEE-NSHDSACASA-N 1 0 252.314 1.840 20 5 CDBDRO C[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[NH+](C)C ZINC000593404915 342791556 /nfs/dbraw/zinc/79/15/56/342791556.db2.gz YRVPXXKGPLUHLL-SECBINFHSA-N 1 0 283.303 1.343 20 5 CDBDRO CO[C@H]1COC[C@@H]1[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000290049114 361985703 /nfs/dbraw/zinc/98/57/03/361985703.db2.gz DYGCUCJWQJRBHM-ZLDLUXBVSA-N 1 0 294.351 1.919 20 5 CDBDRO COc1ccc(CN[C@@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600677282 342241843 /nfs/dbraw/zinc/24/18/43/342241843.db2.gz BXLHXUKTAYNEFV-ZYHUDNBSSA-N 1 0 279.340 1.834 20 5 CDBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])[nH]1 ZINC000594422361 342903780 /nfs/dbraw/zinc/90/37/80/342903780.db2.gz YQOTWQDHJSIDFS-CMPLNLGQSA-N 1 0 292.339 1.670 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000594425107 342904224 /nfs/dbraw/zinc/90/42/24/342904224.db2.gz JWKVYPMATIAXLV-TZMCWYRMSA-N 1 0 275.308 1.923 20 5 CDBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1csc([N+](=O)[O-])c1 ZINC000609382270 342263776 /nfs/dbraw/zinc/26/37/76/342263776.db2.gz AAGUPLPBBAQGAH-LLVKDONJSA-N 1 0 295.364 1.870 20 5 CDBDRO Cn1c(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000609383267 342264464 /nfs/dbraw/zinc/26/44/64/342264464.db2.gz KVWUEROXIPQGGR-LLVKDONJSA-N 1 0 292.339 1.147 20 5 CDBDRO C[NH2+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000600824019 342251405 /nfs/dbraw/zinc/25/14/05/342251405.db2.gz JCQPEQHPEGPNEX-UHFFFAOYSA-N 1 0 281.287 1.606 20 5 CDBDRO C[NH2+]C1(CNC(=O)COc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600826291 342251731 /nfs/dbraw/zinc/25/17/31/342251731.db2.gz ZMLKFBKPYUSFBD-UHFFFAOYSA-N 1 0 293.323 1.232 20 5 CDBDRO COCCOCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594504544 342914812 /nfs/dbraw/zinc/91/48/12/342914812.db2.gz OSTHNJMFOKPFKI-ZDUSSCGKSA-N 1 0 280.324 1.835 20 5 CDBDRO Cc1cc(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000127834379 342286519 /nfs/dbraw/zinc/28/65/19/342286519.db2.gz HDGUWLLTIWSYCJ-GWCFXTLKSA-N 1 0 293.323 1.091 20 5 CDBDRO COC[C@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595037073 342997788 /nfs/dbraw/zinc/99/77/88/342997788.db2.gz AYHLKYWBGMIYKY-UWVGGRQHSA-N 1 0 284.312 1.261 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000595233264 343016597 /nfs/dbraw/zinc/01/65/97/343016597.db2.gz JZYFBUAROROMSQ-QMMMGPOBSA-N 1 0 282.300 1.333 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC1CC[NH+](C)CC1 ZINC000091556659 349777926 /nfs/dbraw/zinc/77/79/26/349777926.db2.gz BZKRJXAWDSKVIG-UHFFFAOYSA-N 1 0 281.360 1.873 20 5 CDBDRO C[C@H](O)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000351514014 362035083 /nfs/dbraw/zinc/03/50/83/362035083.db2.gz ARNBLKLPTWFRTH-QJPTWQEYSA-N 1 0 282.344 1.636 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000382471748 362040161 /nfs/dbraw/zinc/04/01/61/362040161.db2.gz QJTJUWXPZIIUMD-ONGXEEELSA-N 1 0 278.312 1.986 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000595930915 343184245 /nfs/dbraw/zinc/18/42/45/343184245.db2.gz RVFNRDGAYXTKGB-SECBINFHSA-N 1 0 251.286 1.840 20 5 CDBDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000080761307 342360267 /nfs/dbraw/zinc/36/02/67/342360267.db2.gz XWCZWYOTRDSDMB-UHFFFAOYSA-N 1 0 265.313 1.745 20 5 CDBDRO C[C@@H]1CCC[N@H+](CCNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596075735 343226480 /nfs/dbraw/zinc/22/64/80/343226480.db2.gz KAZVCEWZJUEGAP-SNVBAGLBSA-N 1 0 280.328 1.839 20 5 CDBDRO CN(CC1([NH+](C)C)CCC1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596202487 343264269 /nfs/dbraw/zinc/26/42/69/343264269.db2.gz FYKBHVHWAUEYKU-UHFFFAOYSA-N 1 0 280.328 1.616 20 5 CDBDRO Cc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c([N+](=O)[O-])s1 ZINC000596214775 343268666 /nfs/dbraw/zinc/26/86/66/343268666.db2.gz ZBPILXLEXYTYMP-AOOOYVTPSA-N 1 0 267.354 1.963 20 5 CDBDRO CN(CCC[NH3+])C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000158815408 342377288 /nfs/dbraw/zinc/37/72/88/342377288.db2.gz UFLVOYCMGHOPRU-UHFFFAOYSA-N 1 0 281.312 1.171 20 5 CDBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000596236377 343282499 /nfs/dbraw/zinc/28/24/99/343282499.db2.gz IGRJBDFNLPREPP-JTQLQIEISA-N 1 0 281.360 1.526 20 5 CDBDRO Cc1ccnc(NCCN2C[C@@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000596434022 343320452 /nfs/dbraw/zinc/32/04/52/343320452.db2.gz WOZKIGVNFZRKKS-NWDGAFQWSA-N 1 0 294.355 1.819 20 5 CDBDRO COc1cc(C(=O)NCC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000597991668 343682106 /nfs/dbraw/zinc/68/21/06/343682106.db2.gz GQMMYTNQBQRENI-SNVBAGLBSA-N 1 0 295.339 1.673 20 5 CDBDRO C[C@@H](CCNC(=O)c1csc([N+](=O)[O-])c1)[NH+](C)C ZINC000597998068 343685337 /nfs/dbraw/zinc/68/53/37/343685337.db2.gz OUAOVNKEUAFKOS-QMMMGPOBSA-N 1 0 271.342 1.726 20 5 CDBDRO CNc1ccc(C(=O)NCC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000598001331 343686066 /nfs/dbraw/zinc/68/60/66/343686066.db2.gz ZEMUJXXJOQGOJF-JTQLQIEISA-N 1 0 294.355 1.707 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598667205 343862754 /nfs/dbraw/zinc/86/27/54/343862754.db2.gz FVQQDLYWKIZJHK-XHDPSFHLSA-N 1 0 289.335 1.857 20 5 CDBDRO [NH3+][C@@]12CCC[C@H]1CN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000598681948 343864239 /nfs/dbraw/zinc/86/42/39/343864239.db2.gz KIKGDMXQOOBFKI-GXTWGEPZSA-N 1 0 261.325 1.908 20 5 CDBDRO [NH3+][C@]12CCC[C@@H]1CN(CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000598682041 343864530 /nfs/dbraw/zinc/86/45/30/343864530.db2.gz KXTCYEBMRPEAFI-DOMZBBRYSA-N 1 0 291.351 1.787 20 5 CDBDRO [NH3+][C@@]12CCC[C@@H]1CN(CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000598684980 343864847 /nfs/dbraw/zinc/86/48/47/343864847.db2.gz ZOCLMFSDJGTVEZ-UKRRQHHQSA-N 1 0 275.352 1.951 20 5 CDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000598668227 343871161 /nfs/dbraw/zinc/87/11/61/343871161.db2.gz QSYBIHSRXRIILN-SWLSCSKDSA-N 1 0 289.335 1.477 20 5 CDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598912908 343919045 /nfs/dbraw/zinc/91/90/45/343919045.db2.gz CUJXPTUYCMSNSP-DTWKUNHWSA-N 1 0 296.302 1.983 20 5 CDBDRO C[NH2+]CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915499 343919557 /nfs/dbraw/zinc/91/95/57/343919557.db2.gz NCUPMHZNEKMWRG-UHFFFAOYSA-N 1 0 270.264 1.465 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[C@@H](CO)C2)cs1 ZINC000295086339 199337558 /nfs/dbraw/zinc/33/75/58/199337558.db2.gz RAEARVCEDHICPW-SCZZXKLOSA-N 1 0 256.327 1.907 20 5 CDBDRO CCC(CC)[NH2+]CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000599098401 343954312 /nfs/dbraw/zinc/95/43/12/343954312.db2.gz TVBKHXKMFOEOSZ-UHFFFAOYSA-N 1 0 295.343 1.279 20 5 CDBDRO CC[C@]1(C(C)C)C[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515467587 362318789 /nfs/dbraw/zinc/31/87/89/362318789.db2.gz DQIGZTALYYAZFF-HZSPNIEDSA-N 1 0 296.371 1.567 20 5 CDBDRO COCCC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000599507486 344078227 /nfs/dbraw/zinc/07/82/27/344078227.db2.gz XBIKACSXUBSZCH-UHFFFAOYSA-N 1 0 282.344 1.540 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000156157265 344166093 /nfs/dbraw/zinc/16/60/93/344166093.db2.gz JJVRRDIFGSRYTO-NXEZZACHSA-N 1 0 299.352 1.095 20 5 CDBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000602494431 344451168 /nfs/dbraw/zinc/45/11/68/344451168.db2.gz XZNIMWNBQCYWAF-MWLCHTKSSA-N 1 0 293.298 1.558 20 5 CDBDRO CCOC[C@@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602784014 344598660 /nfs/dbraw/zinc/59/86/60/344598660.db2.gz GYAMOIYBPNKNKP-CYBMUJFWSA-N 1 0 296.371 1.848 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCO[C@@H](C)C1 ZINC000602772889 344576951 /nfs/dbraw/zinc/57/69/51/344576951.db2.gz MRWSESWYJYZHFT-JTQLQIEISA-N 1 0 268.317 1.211 20 5 CDBDRO C[C@]1(CNC(=O)c2csc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000128958889 362410833 /nfs/dbraw/zinc/41/08/33/362410833.db2.gz UBLVSXPZRPRSKL-LBPRGKRZSA-N 1 0 283.353 1.776 20 5 CDBDRO CCO[C@@H]1CCC[C@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602838508 344620293 /nfs/dbraw/zinc/62/02/93/344620293.db2.gz TXHLDXFLOCGQEI-VXGBXAGGSA-N 1 0 282.344 1.647 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000603429334 344802376 /nfs/dbraw/zinc/80/23/76/344802376.db2.gz NNJDEEGZHBWMPB-CHWSQXEVSA-N 1 0 279.340 1.819 20 5 CDBDRO O=[N+]([O-])c1ccsc1NC[C@H]1CSCC[NH2+]1 ZINC000603418236 344807629 /nfs/dbraw/zinc/80/76/29/344807629.db2.gz FBUNOQCNVALTGF-ZETCQYMHSA-N 1 0 259.356 1.773 20 5 CDBDRO C[NH+](C)C[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1 ZINC000228669489 362520788 /nfs/dbraw/zinc/52/07/88/362520788.db2.gz LQYKCEXWFNVQGM-LBPRGKRZSA-N 1 0 253.302 1.319 20 5 CDBDRO COc1cc(C(=O)N(C)[C@H](C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000159825331 362535091 /nfs/dbraw/zinc/53/50/91/362535091.db2.gz IOXRHECVWSQGGS-GFCCVEGCSA-N 1 0 293.323 1.413 20 5 CDBDRO O=C(NCC1CC[NH2+]CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000129045605 345253176 /nfs/dbraw/zinc/25/31/76/345253176.db2.gz UHMAFBWXMPSSEF-UHFFFAOYSA-N 1 0 297.742 1.978 20 5 CDBDRO C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000072871058 345378099 /nfs/dbraw/zinc/37/80/99/345378099.db2.gz GOVBIYIPCSFWSG-AOOOYVTPSA-N 1 0 277.324 1.782 20 5 CDBDRO C[C@@H](C(=O)NCCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000617687339 345911258 /nfs/dbraw/zinc/91/12/58/345911258.db2.gz YLSYHXGGERZRTE-LLVKDONJSA-N 1 0 279.340 1.766 20 5 CDBDRO C[N@@H+]1CC[C@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000609992630 346054784 /nfs/dbraw/zinc/05/47/84/346054784.db2.gz AYCACSYQWBJVTA-JTQLQIEISA-N 1 0 275.308 1.436 20 5 CDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C(C)(C)CO ZINC000609894967 346037125 /nfs/dbraw/zinc/03/71/25/346037125.db2.gz TUEHSKFCOJUVMG-UHFFFAOYSA-N 1 0 268.313 1.676 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]([C@H]3CCCOC3)C2)nc1 ZINC000610569963 346315131 /nfs/dbraw/zinc/31/51/31/346315131.db2.gz IEHFYRVOMDQWPT-YPMHNXCESA-N 1 0 292.339 1.655 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@]1(O)CC[N@H+](C)C1 ZINC000545161480 362693401 /nfs/dbraw/zinc/69/34/01/362693401.db2.gz XABBMTXZOSCVER-IUODEOHRSA-N 1 0 293.367 1.620 20 5 CDBDRO CC(C)[NH+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000026712270 346612085 /nfs/dbraw/zinc/61/20/85/346612085.db2.gz VDDMPRVWJLHNNL-UHFFFAOYSA-N 1 0 292.339 1.224 20 5 CDBDRO Cn1ccnc1[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000611409831 346778263 /nfs/dbraw/zinc/77/82/63/346778263.db2.gz PVDDLZDHRWJPQQ-GFCCVEGCSA-N 1 0 290.327 1.266 20 5 CDBDRO Cc1noc(C)c1[C@@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000612461604 347171072 /nfs/dbraw/zinc/17/10/72/347171072.db2.gz KOZXRIGAIVJSBB-MRVPVSSYSA-N 1 0 279.300 1.747 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CC[NH+]([C@@H]3CCCOC3)CC2)n1 ZINC000618759063 347300470 /nfs/dbraw/zinc/30/04/70/347300470.db2.gz BHTZPJXEGDGGQN-GFCCVEGCSA-N 1 0 280.328 1.607 20 5 CDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000273308604 192107749 /nfs/dbraw/zinc/10/77/49/192107749.db2.gz IFMGZWGBZJDNRI-NEPJUHHUSA-N 1 0 296.323 1.055 20 5 CDBDRO COCC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000273309427 192108095 /nfs/dbraw/zinc/10/80/95/192108095.db2.gz TXTUAMZDFISVFU-GFCCVEGCSA-N 1 0 294.311 1.752 20 5 CDBDRO Cc1cnc(OCC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000090692850 347813351 /nfs/dbraw/zinc/81/33/51/347813351.db2.gz PEUNCBPFHGFBBS-UHFFFAOYSA-N 1 0 251.286 1.677 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]([NH3+])C[C@@H]1C ZINC001579180763 1172111593 /nfs/dbraw/zinc/11/15/93/1172111593.db2.gz QRFQURHHWWIHPW-ONGXEEELSA-N 1 0 265.313 1.525 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000383000791 362937573 /nfs/dbraw/zinc/93/75/73/362937573.db2.gz RYBHPIVXXGHLPC-QMMMGPOBSA-N 1 0 252.274 1.406 20 5 CDBDRO C[C@@H]([NH2+]CC1(CO)COC1)c1ccc([N+](=O)[O-])cc1 ZINC000090644507 180017891 /nfs/dbraw/zinc/01/78/91/180017891.db2.gz OJQWGEYBGCRZAH-SNVBAGLBSA-N 1 0 266.297 1.254 20 5 CDBDRO [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000091546258 180186944 /nfs/dbraw/zinc/18/69/44/180186944.db2.gz FNBYUPRNJGERGN-MNOVXSKESA-N 1 0 263.297 1.338 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N[C@H](C)CN1CC[NH+](C)CC1 ZINC000106483278 186120656 /nfs/dbraw/zinc/12/06/56/186120656.db2.gz URSROAPDRVXSKF-CYBMUJFWSA-N 1 0 292.383 1.951 20 5 CDBDRO COc1cc(C(=O)NC[C@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000110652827 186311081 /nfs/dbraw/zinc/31/10/81/186311081.db2.gz ORGDCFJIDFKHEZ-SNVBAGLBSA-N 1 0 293.323 1.285 20 5 CDBDRO CCOc1cc(N[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000111051358 186348151 /nfs/dbraw/zinc/34/81/51/186348151.db2.gz HEGIRZYRINXMEL-SNVBAGLBSA-N 1 0 251.286 1.767 20 5 CDBDRO Cc1cc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000312093924 350747231 /nfs/dbraw/zinc/74/72/31/350747231.db2.gz DIJJSGVBIPDBTG-UWVGGRQHSA-N 1 0 265.288 1.698 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCCC1 ZINC000062069901 362980331 /nfs/dbraw/zinc/98/03/31/362980331.db2.gz ILHYJQKKKFBQOS-UHFFFAOYSA-N 1 0 292.339 1.393 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000156094823 351450715 /nfs/dbraw/zinc/45/07/15/351450715.db2.gz BISMEZJZZVGOIY-VHSXEESVSA-N 1 0 278.312 1.938 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135244698 187810836 /nfs/dbraw/zinc/81/08/36/187810836.db2.gz UQMCRWWQSFTFAT-LBPRGKRZSA-N 1 0 279.340 1.771 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(NCCC[NH+](C)C)c1 ZINC000141330024 187909831 /nfs/dbraw/zinc/90/98/31/187909831.db2.gz KFOXQQOHNQGRJD-UHFFFAOYSA-N 1 0 253.302 1.967 20 5 CDBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCCOC1 ZINC000154180929 188127377 /nfs/dbraw/zinc/12/73/77/188127377.db2.gz RIBSHQDLEVWKMJ-DOMZBBRYSA-N 1 0 294.351 1.987 20 5 CDBDRO Cc1c(NC(=O)CC[N@@H+](C)C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000156279390 188253001 /nfs/dbraw/zinc/25/30/01/188253001.db2.gz OGQVLCFKUPMEKX-JTQLQIEISA-N 1 0 295.339 1.544 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000295182212 199391887 /nfs/dbraw/zinc/39/18/87/199391887.db2.gz HQWHAHNNECCBBW-MRVPVSSYSA-N 1 0 296.283 1.279 20 5 CDBDRO Cc1c(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000158910718 188399935 /nfs/dbraw/zinc/39/99/35/188399935.db2.gz NPSABXLZVRYESW-OAHLLOKOSA-N 1 0 289.335 1.729 20 5 CDBDRO C[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000268855250 366090601 /nfs/dbraw/zinc/09/06/01/366090601.db2.gz QQSRSXDFBNYJBT-DOMZBBRYSA-N 1 0 293.367 1.702 20 5 CDBDRO O=C(NCC1=CC[NH2+]CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000169276097 188655655 /nfs/dbraw/zinc/65/56/55/188655655.db2.gz YUYASKRTAWPZGC-UHFFFAOYSA-N 1 0 279.271 1.383 20 5 CDBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1[NH+](C)C ZINC000271775278 191318165 /nfs/dbraw/zinc/31/81/65/191318165.db2.gz JEELEONGFKZUHK-SCZZXKLOSA-N 1 0 299.352 1.305 20 5 CDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000558728300 356042923 /nfs/dbraw/zinc/04/29/23/356042923.db2.gz XTGXBDSKLOYYRG-CYBMUJFWSA-N 1 0 291.351 1.547 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000127092113 356267275 /nfs/dbraw/zinc/26/72/75/356267275.db2.gz ADGHJFAIBHVWBE-UHFFFAOYSA-N 1 0 281.312 1.285 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)C2CCOCC2)c(F)c1 ZINC000359867537 356429571 /nfs/dbraw/zinc/42/95/71/356429571.db2.gz CKHHITPPEYCINW-CQSZACIVSA-N 1 0 298.314 1.611 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](CO)C1CCOCC1 ZINC000359865353 356429689 /nfs/dbraw/zinc/42/96/89/356429689.db2.gz AXEQNIYZTLQKIX-CYBMUJFWSA-N 1 0 298.314 1.611 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000584061361 366258787 /nfs/dbraw/zinc/25/87/87/366258787.db2.gz JGGMDAQKXHWHJS-QWHCGFSZSA-N 1 0 280.324 1.852 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C1CCCC1 ZINC000236263846 140239585 /nfs/dbraw/zinc/23/95/85/140239585.db2.gz OQGOQEOFFZZYBY-SECBINFHSA-N 1 0 267.285 1.435 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)C[NH+](C)C ZINC000341284329 357221006 /nfs/dbraw/zinc/22/10/06/357221006.db2.gz LGDSNCDEQAVXAV-QMMMGPOBSA-N 1 0 255.274 1.115 20 5 CDBDRO [NH3+]C[C@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000149409360 357286340 /nfs/dbraw/zinc/28/63/40/357286340.db2.gz KYXDDLDGOPQGES-MRVPVSSYSA-N 1 0 270.720 1.818 20 5 CDBDRO COc1cccc(C(=O)NC[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000566098509 357279130 /nfs/dbraw/zinc/27/91/30/357279130.db2.gz MLQKKRHMNQPNNG-JTQLQIEISA-N 1 0 293.323 1.333 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000262018590 357353846 /nfs/dbraw/zinc/35/38/46/357353846.db2.gz WZJDGRLOFVXMMV-SNVBAGLBSA-N 1 0 278.312 1.130 20 5 CDBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000185621356 357561137 /nfs/dbraw/zinc/56/11/37/357561137.db2.gz YPAMSRNTKQFGPX-DGCLKSJQSA-N 1 0 279.340 1.877 20 5 CDBDRO C[C@@H]([NH2+]C[C@H](C)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284110656 357643387 /nfs/dbraw/zinc/64/33/87/357643387.db2.gz NGPJAJIMEUDAOR-VHSXEESVSA-N 1 0 266.345 1.778 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CC)CO ZINC000186520609 357658600 /nfs/dbraw/zinc/65/86/00/357658600.db2.gz PIYVSDLEJHLISS-NSHDSACASA-N 1 0 268.313 1.854 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCC[C@H]1CC[NH2+]C1 ZINC000135226876 357798267 /nfs/dbraw/zinc/79/82/67/357798267.db2.gz HGBDRSJGPSSZLM-LLVKDONJSA-N 1 0 277.324 1.253 20 5 CDBDRO C[C@@H]([NH3+])CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135223571 357798419 /nfs/dbraw/zinc/79/84/19/357798419.db2.gz FEPOCYHLYBIFBI-SSDOTTSWSA-N 1 0 255.249 1.201 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000135229991 357799473 /nfs/dbraw/zinc/79/94/73/357799473.db2.gz DBGWQSSGFNKQLI-RKDXNWHRSA-N 1 0 281.287 1.556 20 5 CDBDRO C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000188372693 357887121 /nfs/dbraw/zinc/88/71/21/357887121.db2.gz ZKCUARKGZXTEDH-LLVKDONJSA-N 1 0 293.323 1.184 20 5 CDBDRO Cc1c(CNC(=O)NC[C@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000454861632 252371980 /nfs/dbraw/zinc/37/19/80/252371980.db2.gz WICXQRHXZYYECO-JTQLQIEISA-N 1 0 294.355 1.653 20 5 CDBDRO COC[C@H](O)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193063392 358261505 /nfs/dbraw/zinc/26/15/05/358261505.db2.gz CLJSSZJSBHJOET-UKRRQHHQSA-N 1 0 294.351 1.959 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000128353166 358262387 /nfs/dbraw/zinc/26/23/87/358262387.db2.gz NKAGCBBYWPVQHL-LBPRGKRZSA-N 1 0 279.340 1.787 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000294850485 199213419 /nfs/dbraw/zinc/21/34/19/199213419.db2.gz NIWULRUYNAVNBP-KLPPZKSPSA-N 1 0 266.297 1.606 20 5 CDBDRO CCC[NH2+][C@@H](C)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000296327927 199854949 /nfs/dbraw/zinc/85/49/49/199854949.db2.gz HMUSWAOGHWMCQK-NSHDSACASA-N 1 0 279.340 1.941 20 5 CDBDRO CC[N@H+](C)CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000134223171 358968944 /nfs/dbraw/zinc/96/89/44/358968944.db2.gz ZGYWVYBPMNDBAO-UHFFFAOYSA-N 1 0 292.339 1.843 20 5 CDBDRO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000450686486 358979532 /nfs/dbraw/zinc/97/95/32/358979532.db2.gz URTMBMAFCNCQID-ZKYQVNSYSA-N 1 0 280.324 1.968 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000104190372 358951356 /nfs/dbraw/zinc/95/13/56/358951356.db2.gz OMNPROQIKPZBPB-LLVKDONJSA-N 1 0 293.323 1.042 20 5 CDBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[NH2+]CC3)n2)c1 ZINC000051640357 358954966 /nfs/dbraw/zinc/95/49/66/358954966.db2.gz QAPZCORIXDEINF-UHFFFAOYSA-N 1 0 289.295 1.050 20 5 CDBDRO [NH3+]C1(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000342581349 359119823 /nfs/dbraw/zinc/11/98/23/359119823.db2.gz GTFOFNWZSNSVGH-UHFFFAOYSA-N 1 0 277.324 1.525 20 5 CDBDRO COC[C@@H]1CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339004677 359269064 /nfs/dbraw/zinc/26/90/64/359269064.db2.gz WUMMYQMDJJHXJS-SNVBAGLBSA-N 1 0 266.297 1.769 20 5 CDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CCC[NH2+]C1 ZINC000050162321 359352674 /nfs/dbraw/zinc/35/26/74/359352674.db2.gz PCDIYDQCIZZNKL-BDAKNGLRSA-N 1 0 266.301 1.041 20 5 CDBDRO COC[C@H](CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353144058 359420701 /nfs/dbraw/zinc/42/07/01/359420701.db2.gz BSYPEDLJJQZRAO-RNZFLTOJSA-N 1 0 266.297 1.205 20 5 CDBDRO COc1ccc(CN2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000050243856 359408035 /nfs/dbraw/zinc/40/80/35/359408035.db2.gz FRLNDSZUZKHGOA-JTQLQIEISA-N 1 0 251.286 1.136 20 5 CDBDRO O=C(C[C@@H]1CCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000157472699 237104529 /nfs/dbraw/zinc/10/45/29/237104529.db2.gz QSSXCWIGTKWHJF-ZDUSSCGKSA-N 1 0 289.335 1.622 20 5 CDBDRO Cc1nc(N(C)C[C@H]2CCC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC000297045750 200069776 /nfs/dbraw/zinc/06/97/76/200069776.db2.gz IBZAECOALHJZLK-NSHDSACASA-N 1 0 279.344 1.471 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000408470083 359820348 /nfs/dbraw/zinc/82/03/48/359820348.db2.gz UDLJZSFIMFJQPX-YPMHNXCESA-N 1 0 275.308 1.371 20 5 CDBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000176358196 360204654 /nfs/dbraw/zinc/20/46/54/360204654.db2.gz AORDBAYDAFKIIE-JTQLQIEISA-N 1 0 279.340 1.717 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000235676095 360275260 /nfs/dbraw/zinc/27/52/60/360275260.db2.gz ABDSTLBOISGQBR-WLRDWWDVSA-N 1 0 289.335 1.865 20 5 CDBDRO C[C@H]([N@H+](C)CCn1ccc([N+](=O)[O-])n1)C1(C)CC1 ZINC000177249783 189039094 /nfs/dbraw/zinc/03/90/94/189039094.db2.gz GZNCMIZMVUMQJV-JTQLQIEISA-N 1 0 252.318 1.912 20 5 CDBDRO CS[C@@H]1CN(c2ncccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270412890 360499200 /nfs/dbraw/zinc/49/92/00/360499200.db2.gz XYCDGCVVNLMQMT-WDEREUQCSA-N 1 0 282.369 1.472 20 5 CDBDRO Cc1cc(C(=O)NCCC[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000178146107 189093073 /nfs/dbraw/zinc/09/30/73/189093073.db2.gz NCJFHRUKSLGISH-UHFFFAOYSA-N 1 0 280.328 1.167 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000162864446 360599037 /nfs/dbraw/zinc/59/90/37/360599037.db2.gz VXHFFBNZXSWRPE-GHMZBOCLSA-N 1 0 264.329 1.862 20 5 CDBDRO Cc1nc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)ncc1[N+](=O)[O-] ZINC000297205768 360625684 /nfs/dbraw/zinc/62/56/84/360625684.db2.gz RRYUXWIGJWKVOD-MWLCHTKSSA-N 1 0 277.328 1.366 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H](C)[NH3+])c1 ZINC000178661939 189135905 /nfs/dbraw/zinc/13/59/05/189135905.db2.gz HMGYDCUQSGPVFQ-QMMMGPOBSA-N 1 0 283.353 1.784 20 5 CDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC000238054071 360715414 /nfs/dbraw/zinc/71/54/14/360715414.db2.gz QYHCNCIGXHGBPW-UHFFFAOYSA-N 1 0 292.339 1.219 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000178734597 189141693 /nfs/dbraw/zinc/14/16/93/189141693.db2.gz GNOVOQFSFBKOQG-MRVPVSSYSA-N 1 0 283.715 1.730 20 5 CDBDRO CN(C(=O)c1cc(F)ccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000053245473 361395481 /nfs/dbraw/zinc/39/54/81/361395481.db2.gz CFRWDZYADSQQBI-NSHDSACASA-N 1 0 295.314 1.900 20 5 CDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[NH2+]1 ZINC000053253678 361403093 /nfs/dbraw/zinc/40/30/93/361403093.db2.gz AOMCUVWORDESAD-NNNHXZLVSA-N 1 0 275.308 1.476 20 5 CDBDRO CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000036283164 361421336 /nfs/dbraw/zinc/42/13/36/361421336.db2.gz LCDKXFMKMVDZEW-QPJJXVBHSA-N 1 0 289.335 1.818 20 5 CDBDRO C[C@H](C[N@H+](C)CCn1ccc([N+](=O)[O-])n1)c1nccs1 ZINC000183985146 189373239 /nfs/dbraw/zinc/37/32/39/189373239.db2.gz SXEMHWBMDYTLFA-SNVBAGLBSA-N 1 0 295.368 1.983 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000269711986 239000523 /nfs/dbraw/zinc/00/05/23/239000523.db2.gz PXZRGBIXEUMUCZ-OLZOCXBDSA-N 1 0 266.297 1.085 20 5 CDBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000581318968 363979129 /nfs/dbraw/zinc/97/91/29/363979129.db2.gz NELNLJKSECHICV-STQMWFEESA-N 1 0 280.324 1.723 20 5 CDBDRO COC(=O)c1cc(NC(=O)CCC[NH3+])cc([N+](=O)[O-])c1 ZINC000237142052 364071838 /nfs/dbraw/zinc/07/18/38/364071838.db2.gz IRUHOBJFCURROY-UHFFFAOYSA-N 1 0 281.268 1.059 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000088059241 364048402 /nfs/dbraw/zinc/04/84/02/364048402.db2.gz BHPSNGDCEUUEAN-SNVBAGLBSA-N 1 0 263.297 1.337 20 5 CDBDRO CCOc1ccc(C(=O)N(CC)CC[NH3+])cc1[N+](=O)[O-] ZINC000074534970 364440301 /nfs/dbraw/zinc/44/03/01/364440301.db2.gz PATNQHUYXADWLM-UHFFFAOYSA-N 1 0 281.312 1.414 20 5 CDBDRO C[C@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000162346756 364606772 /nfs/dbraw/zinc/60/67/72/364606772.db2.gz IDMWJHDAYXLKRI-WCQYABFASA-N 1 0 279.340 1.925 20 5 CDBDRO C[N@H+]1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000063527616 364807648 /nfs/dbraw/zinc/80/76/48/364807648.db2.gz CZGLQUYWRFZOQT-BETUJISGSA-N 1 0 261.325 1.588 20 5 CDBDRO CCOc1cc(NCC[N@H+](C)CCOC)ccc1[N+](=O)[O-] ZINC000107039988 364872053 /nfs/dbraw/zinc/87/20/53/364872053.db2.gz LHMMSZWXKUFIDK-UHFFFAOYSA-N 1 0 297.355 1.984 20 5 CDBDRO NC(=O)[C@H]1CCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179578020 364994088 /nfs/dbraw/zinc/99/40/88/364994088.db2.gz YMTKGUHMDVEMRP-VUUYWXRKSA-N 1 0 275.308 1.558 20 5 CDBDRO Cc1c(CNC[C@@H](O)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000231885632 364997889 /nfs/dbraw/zinc/99/78/89/364997889.db2.gz XFMIHXLUEFQCIW-CQSZACIVSA-N 1 0 293.367 1.450 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@@H+](CCO)C2CCOCC2)cc1 ZINC000275537577 193070238 /nfs/dbraw/zinc/07/02/38/193070238.db2.gz LFTMLEIDEUFEIC-UHFFFAOYSA-N 1 0 294.351 1.611 20 5 CDBDRO CC(C)[C@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000270481762 366887633 /nfs/dbraw/zinc/88/76/33/366887633.db2.gz FYABTPRCHQYQNT-NSHDSACASA-N 1 0 267.329 1.733 20 5 CDBDRO C[NH+](C)Cc1ccnc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000564154847 365382130 /nfs/dbraw/zinc/38/21/30/365382130.db2.gz KVHMDNSXXXTVIP-UHFFFAOYSA-N 1 0 290.283 1.027 20 5 CDBDRO C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094339523 366903116 /nfs/dbraw/zinc/90/31/16/366903116.db2.gz SWXUKJSNEYTDMV-PWSUYJOCSA-N 1 0 277.324 1.333 20 5 CDBDRO CCC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000270585148 366906306 /nfs/dbraw/zinc/90/63/06/366906306.db2.gz RRMTUMPYNUNGGT-UHFFFAOYSA-N 1 0 279.340 1.879 20 5 CDBDRO CC(C)C[C@H]([NH3+])c1noc(-c2cc([N+](=O)[O-])n[nH]2)n1 ZINC000414621272 241280196 /nfs/dbraw/zinc/28/01/96/241280196.db2.gz LTUWWHIMJQFBJX-LURJTMIESA-N 1 0 266.261 1.414 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000414658299 241304970 /nfs/dbraw/zinc/30/49/70/241304970.db2.gz QGYIEURPRKPUBO-VIFPVBQESA-N 1 0 296.327 1.580 20 5 CDBDRO Cc1ccc(NC(=O)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000414659996 241307714 /nfs/dbraw/zinc/30/77/14/241307714.db2.gz NTNCZURWYWNFOM-LLVKDONJSA-N 1 0 278.312 1.777 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000414660910 241308282 /nfs/dbraw/zinc/30/82/82/241308282.db2.gz OVQKMROQYKGEPC-SECBINFHSA-N 1 0 266.301 1.762 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCO)C2CC2)cc1F ZINC000094774638 367013571 /nfs/dbraw/zinc/01/35/71/367013571.db2.gz ODGWTPCASZTPNI-UHFFFAOYSA-N 1 0 254.261 1.691 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094339744 367129583 /nfs/dbraw/zinc/12/95/83/367129583.db2.gz FJPPBBJWTKIUIH-ZWNOBZJWSA-N 1 0 277.324 1.713 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000272175295 367275316 /nfs/dbraw/zinc/27/53/16/367275316.db2.gz CLFVQBLKQDCIIB-WCQYABFASA-N 1 0 291.351 1.723 20 5 CDBDRO C[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000094340192 367321304 /nfs/dbraw/zinc/32/13/04/367321304.db2.gz QPBXYPNXBYFSNM-VKNKMKLNSA-N 1 0 289.335 1.804 20 5 CDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccn1 ZINC000090538626 367570354 /nfs/dbraw/zinc/57/03/54/367570354.db2.gz NWDLVSAWSYEUMZ-SNVBAGLBSA-N 1 0 261.285 1.537 20 5 CDBDRO COc1ccc(CNC(=O)NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000417202354 242357227 /nfs/dbraw/zinc/35/72/27/242357227.db2.gz XJFWTTGOIZOTLU-UHFFFAOYSA-N 1 0 296.327 1.140 20 5 CDBDRO C[C@@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000417222687 242364036 /nfs/dbraw/zinc/36/40/36/242364036.db2.gz FUBKQIFIDSMXKF-LLVKDONJSA-N 1 0 292.339 1.141 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000269178811 367854903 /nfs/dbraw/zinc/85/49/03/367854903.db2.gz ZXDQZGJXRGBSIO-VIFPVBQESA-N 1 0 289.291 1.762 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000089091009 368827510 /nfs/dbraw/zinc/82/75/10/368827510.db2.gz KLUZHJUTVLXDEN-AYSSICMYSA-N 1 0 289.335 1.852 20 5 CDBDRO C[C@@H]1[C@H](C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1C ZINC000419369101 243649826 /nfs/dbraw/zinc/64/98/26/243649826.db2.gz HBFZMMBKCPFQJT-MXWKQRLJSA-N 1 0 252.318 1.768 20 5 CDBDRO CNC(=O)CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000170783731 369121738 /nfs/dbraw/zinc/12/17/38/369121738.db2.gz HKBVGUNWDZRJDR-UHFFFAOYSA-N 1 0 281.312 1.171 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C1CC([NH3+])C1 ZINC000420329057 244092768 /nfs/dbraw/zinc/09/27/68/244092768.db2.gz IWMAVCKYUYSYKY-UHFFFAOYSA-N 1 0 292.339 1.263 20 5 CDBDRO C[NH+](C)CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000037669432 369786177 /nfs/dbraw/zinc/78/61/77/369786177.db2.gz CCQGBSHMFCFONW-UHFFFAOYSA-N 1 0 255.249 1.025 20 5 CDBDRO Cc1sc(C(=O)NC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000193373766 369988307 /nfs/dbraw/zinc/98/83/07/369988307.db2.gz DDHSIRFJLQLNCU-UHFFFAOYSA-N 1 0 283.353 1.837 20 5 CDBDRO CC(C)[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H](C)[NH3+] ZINC000399708614 370068572 /nfs/dbraw/zinc/06/85/72/370068572.db2.gz FENNTCSUQALFIH-ZWNOBZJWSA-N 1 0 279.340 1.830 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000168717425 371104431 /nfs/dbraw/zinc/10/44/31/371104431.db2.gz GBTMJYFABKISBR-PWSUYJOCSA-N 1 0 277.324 1.333 20 5 CDBDRO Cc1c(CC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000422845666 245325279 /nfs/dbraw/zinc/32/52/79/245325279.db2.gz ONZHSTBLBXPHCF-GWCFXTLKSA-N 1 0 291.351 1.641 20 5 CDBDRO C[C@@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414958351 371170751 /nfs/dbraw/zinc/17/07/51/371170751.db2.gz WPWJIIVUJKFVQG-PSASIEDQSA-N 1 0 255.343 1.886 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1SCC[NH+](C)C ZINC000192675984 372037049 /nfs/dbraw/zinc/03/70/49/372037049.db2.gz JKPUNYHSPVHDDC-UHFFFAOYSA-N 1 0 258.347 1.773 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000133826965 372845775 /nfs/dbraw/zinc/84/57/75/372845775.db2.gz WSDLQWDGYODCOQ-NSHDSACASA-N 1 0 294.355 1.825 20 5 CDBDRO C[C@H]([NH2+]CCC(=O)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293807434 372909795 /nfs/dbraw/zinc/90/97/95/372909795.db2.gz RKSWHGFNUWGSJY-VIFPVBQESA-N 1 0 280.328 1.306 20 5 CDBDRO CO[C@@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCOC1 ZINC000122897288 373569123 /nfs/dbraw/zinc/56/91/23/373569123.db2.gz DSMXTXULSNTPMS-LLVKDONJSA-N 1 0 272.326 1.551 20 5 CDBDRO Cc1c(CC(=O)NC2(C)CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000423612849 245939708 /nfs/dbraw/zinc/93/97/08/245939708.db2.gz OUGXEABRKTWONH-UHFFFAOYSA-N 1 0 291.351 1.704 20 5 CDBDRO C[C@@H](C[NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423732704 246009977 /nfs/dbraw/zinc/00/99/77/246009977.db2.gz ZSNJRUQWHGHDRM-JTQLQIEISA-N 1 0 277.324 1.681 20 5 CDBDRO O=C(C[C@@H]1CC[NH2+]C1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423732228 246010298 /nfs/dbraw/zinc/01/02/98/246010298.db2.gz YTEYXPFEGJVAND-QMMMGPOBSA-N 1 0 289.295 1.409 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000113516279 374261541 /nfs/dbraw/zinc/26/15/41/374261541.db2.gz QQWDWSVQWJEURJ-ZDUSSCGKSA-N 1 0 293.367 1.857 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)C2CC[NH2+]CC2)n1 ZINC000420136821 374287186 /nfs/dbraw/zinc/28/71/86/374287186.db2.gz KGJPOLJHUOSZEL-UHFFFAOYSA-N 1 0 264.329 1.795 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000114148335 374296062 /nfs/dbraw/zinc/29/60/62/374296062.db2.gz TZYDZJJRNHLCLQ-LLVKDONJSA-N 1 0 277.324 1.619 20 5 CDBDRO NC(=O)C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000368578861 374317158 /nfs/dbraw/zinc/31/71/58/374317158.db2.gz QSYMMHAGFFPEPC-SECBINFHSA-N 1 0 297.742 1.946 20 5 CDBDRO COc1ccc(CN[C@H]2CCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000422943505 374364343 /nfs/dbraw/zinc/36/43/43/374364343.db2.gz KODNQCXAZNKALE-MNOVXSKESA-N 1 0 265.313 1.573 20 5 CDBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299147819 374455527 /nfs/dbraw/zinc/45/55/27/374455527.db2.gz RJTSGSZZSPBVLY-WDEREUQCSA-N 1 0 294.355 1.773 20 5 CDBDRO Cn1cccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376650880 374566070 /nfs/dbraw/zinc/56/60/70/374566070.db2.gz IHCZBRRAVIEABK-UHFFFAOYSA-N 1 0 289.339 1.967 20 5 CDBDRO C[C@H]1CC[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000429570790 374599561 /nfs/dbraw/zinc/59/95/61/374599561.db2.gz VRTOFUULGWNKFG-WDEREUQCSA-N 1 0 252.318 1.912 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000154356281 374697616 /nfs/dbraw/zinc/69/76/16/374697616.db2.gz FANUWROQWNLMTN-UHFFFAOYSA-N 1 0 285.731 1.978 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000070447081 374662866 /nfs/dbraw/zinc/66/28/66/374662866.db2.gz AVEAZFLFYVNWOT-NSHDSACASA-N 1 0 269.276 1.447 20 5 CDBDRO CCN1C[C@@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000449523662 374818023 /nfs/dbraw/zinc/81/80/23/374818023.db2.gz YYKVNIBJSGYQIR-AAEUAGOBSA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000277453135 374787715 /nfs/dbraw/zinc/78/77/15/374787715.db2.gz GQQSXECXAXXLLY-JZUADKBYSA-N 1 0 289.335 1.817 20 5 CDBDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000279650515 374941693 /nfs/dbraw/zinc/94/16/93/374941693.db2.gz DZJBCQOLGPMJOQ-CQSZACIVSA-N 1 0 291.351 1.943 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1 ZINC000125326221 374994918 /nfs/dbraw/zinc/99/49/18/374994918.db2.gz IOVDLJGESYNUFQ-CFVMTHIKSA-N 1 0 276.336 1.840 20 5 CDBDRO Cc1ccc(NC(=O)N2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000332298866 375024191 /nfs/dbraw/zinc/02/41/91/375024191.db2.gz KSDUKDGTXZGPKY-UHFFFAOYSA-N 1 0 278.312 1.730 20 5 CDBDRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000125490887 375028170 /nfs/dbraw/zinc/02/81/70/375028170.db2.gz JEONXSIKLBYVDE-RBHXEPJQSA-N 1 0 276.383 1.903 20 5 CDBDRO CC[C@@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282465534 375088556 /nfs/dbraw/zinc/08/85/56/375088556.db2.gz NETZSUCUFXUZPN-CYBMUJFWSA-N 1 0 252.314 1.840 20 5 CDBDRO C[N@H+](CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000491290199 375306135 /nfs/dbraw/zinc/30/61/35/375306135.db2.gz AUXDAZRNRLUOIX-WTKPLQERSA-N 1 0 289.335 1.818 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H](C)N1CCOc1ccc([N+](=O)[O-])cc1 ZINC000493541635 375462442 /nfs/dbraw/zinc/46/24/42/375462442.db2.gz GOTDTDHSGOGNTB-TXEJJXNPSA-N 1 0 279.340 1.656 20 5 CDBDRO C[NH+](C)CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000293910667 375425946 /nfs/dbraw/zinc/42/59/46/375425946.db2.gz HXZZEXMKOFTDTF-UHFFFAOYSA-N 1 0 265.313 1.508 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H](CO)C2)cc1 ZINC000304293286 375426458 /nfs/dbraw/zinc/42/64/58/375426458.db2.gz MTTZULZUIBHYFL-GFCCVEGCSA-N 1 0 280.324 1.678 20 5 CDBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000352877932 375548544 /nfs/dbraw/zinc/54/85/44/375548544.db2.gz RBMBKEHHWDIVJZ-QWHCGFSZSA-N 1 0 296.371 1.807 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000132732326 375579411 /nfs/dbraw/zinc/57/94/11/375579411.db2.gz JGMGSMJIGCGLEU-MRVPVSSYSA-N 1 0 283.715 1.682 20 5 CDBDRO C[C@@H](C1CCC1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000357026857 375629231 /nfs/dbraw/zinc/62/92/31/375629231.db2.gz REHQXHHHEAAACO-JTQLQIEISA-N 1 0 252.318 1.912 20 5 CDBDRO C[NH+](C)C[C@@](C)(O)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000133072222 375680010 /nfs/dbraw/zinc/68/00/10/375680010.db2.gz BWWBOGTUHXFJRX-LBPRGKRZSA-N 1 0 271.292 1.458 20 5 CDBDRO [NH3+]CCCCc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000228375814 375754105 /nfs/dbraw/zinc/75/41/05/375754105.db2.gz FJMYJULKWHMLPD-UHFFFAOYSA-N 1 0 275.312 1.516 20 5 CDBDRO CCOc1ccc(C(=O)N2CC[C@@H]([NH2+]C)C2)cc1[N+](=O)[O-] ZINC000428420750 247297352 /nfs/dbraw/zinc/29/73/52/247297352.db2.gz IOIXZFWXRIZBFR-LLVKDONJSA-N 1 0 293.323 1.427 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCO[C@@H](C[NH3+])C1 ZINC000228979270 375819703 /nfs/dbraw/zinc/81/97/03/375819703.db2.gz FNDGSKQOBKXONE-QWRGUYRKSA-N 1 0 265.313 1.315 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000357407151 375904413 /nfs/dbraw/zinc/90/44/13/375904413.db2.gz DYAPPCJGXUHVGK-BXKDBHETSA-N 1 0 295.314 1.946 20 5 CDBDRO COCCOC[C@@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000296455389 376159627 /nfs/dbraw/zinc/15/96/27/376159627.db2.gz IYCUBASCQPPANI-ZDUSSCGKSA-N 1 0 298.339 1.051 20 5 CDBDRO CCC[C@@](C)([NH3+])C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262211557 190050388 /nfs/dbraw/zinc/05/03/88/190050388.db2.gz DXTVQDFWYFJUSH-CYBMUJFWSA-N 1 0 291.311 1.927 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000307914168 376320768 /nfs/dbraw/zinc/32/07/68/376320768.db2.gz NQAPTRKSZOXVCB-FWWRYZNZSA-N 1 0 289.335 1.865 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000262804503 190062932 /nfs/dbraw/zinc/06/29/32/190062932.db2.gz OEOMEXBSXBIFNP-ONGXEEELSA-N 1 0 292.339 1.213 20 5 CDBDRO C[C@@H]1[NH2+]CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000262814511 190063610 /nfs/dbraw/zinc/06/36/10/190063610.db2.gz RONQDETZGTYHAO-QWRGUYRKSA-N 1 0 277.324 1.346 20 5 CDBDRO CO[C@@H](C[NH3+])CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000262952341 190065346 /nfs/dbraw/zinc/06/53/46/190065346.db2.gz VOTUIKGUIFXGOT-CMPLNLGQSA-N 1 0 295.339 1.444 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000262710743 190061251 /nfs/dbraw/zinc/06/12/51/190061251.db2.gz CMVWWTRUMCQKRG-MFKMUULPSA-N 1 0 277.324 1.252 20 5 CDBDRO CC[C@@H](NC(=O)C[C@H](C[NH3+])OC)c1cccc([N+](=O)[O-])c1 ZINC000262769441 190062296 /nfs/dbraw/zinc/06/22/96/190062296.db2.gz IFSNFVNTWAIESH-CHWSQXEVSA-N 1 0 295.339 1.526 20 5 CDBDRO O=C([C@H]1C[C@]12CC[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000369894237 284589657 /nfs/dbraw/zinc/58/96/57/284589657.db2.gz VCAWVVPCKKLQLW-DOMZBBRYSA-N 1 0 287.319 1.484 20 5 CDBDRO COc1cc(C(=O)N[C@@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000264879392 190141330 /nfs/dbraw/zinc/14/13/30/190141330.db2.gz HSNPBIRFOOBYJB-JTQLQIEISA-N 1 0 295.339 1.673 20 5 CDBDRO CC(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000266871276 378082861 /nfs/dbraw/zinc/08/28/61/378082861.db2.gz SXVLESGPPAUDSM-UHFFFAOYSA-N 1 0 282.319 1.847 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]2CC[NH2+]2)cc1[N+](=O)[O-] ZINC000444214352 250104455 /nfs/dbraw/zinc/10/44/55/250104455.db2.gz PBFSWWZVLDYFRC-MWLCHTKSSA-N 1 0 263.297 1.442 20 5 CDBDRO Nc1c(C(=O)NCC[C@H]2CCC[NH2+]2)cc(F)cc1[N+](=O)[O-] ZINC000444272876 250114345 /nfs/dbraw/zinc/11/43/45/250114345.db2.gz YTZWSCLPEZXARO-SECBINFHSA-N 1 0 296.302 1.188 20 5 CDBDRO C[C@@H]1OCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278804251 194161758 /nfs/dbraw/zinc/16/17/58/194161758.db2.gz YANPVWZBEOCSMS-WCBMZHEXSA-N 1 0 276.296 1.738 20 5 CDBDRO C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266434527 190257328 /nfs/dbraw/zinc/25/73/28/190257328.db2.gz LJOWWJFAKBODTM-AWEZNQCLSA-N 1 0 290.323 1.284 20 5 CDBDRO C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000266869217 190285613 /nfs/dbraw/zinc/28/56/13/190285613.db2.gz MSDKNKCMPQIAKX-IUODEOHRSA-N 1 0 293.367 1.702 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000266885352 190287299 /nfs/dbraw/zinc/28/72/99/190287299.db2.gz BWOCBBMKHGKNGR-ZDUSSCGKSA-N 1 0 275.312 1.957 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1Cc2ccccc2C1 ZINC000267083837 190302405 /nfs/dbraw/zinc/30/24/05/190302405.db2.gz NTWRQCPAPLEEIL-UHFFFAOYSA-N 1 0 286.335 1.891 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000449164123 250730516 /nfs/dbraw/zinc/73/05/16/250730516.db2.gz XZGSZHUEKSIEQJ-YPMHNXCESA-N 1 0 291.351 1.736 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449605663 250930931 /nfs/dbraw/zinc/93/09/31/250930931.db2.gz WVVUJMAPMJZQCP-GHMZBOCLSA-N 1 0 279.340 1.640 20 5 CDBDRO Cc1nc(N[C@@H](C)C[N@@H+](C)C(C)C)ncc1[N+](=O)[O-] ZINC000450531153 251325944 /nfs/dbraw/zinc/32/59/44/251325944.db2.gz HDSLGPUUYVPBMB-VIFPVBQESA-N 1 0 267.333 1.834 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)c1 ZINC000451595135 251765324 /nfs/dbraw/zinc/76/53/24/251765324.db2.gz BVWQMVMOLUEQEO-UONOGXRCSA-N 1 0 294.355 1.178 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc(N3CC[NH2+]CC3)n2)cc1 ZINC000420114227 285106885 /nfs/dbraw/zinc/10/68/85/285106885.db2.gz DEJLEWWOLKFIPC-UHFFFAOYSA-N 1 0 275.268 1.054 20 5 CDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]1 ZINC000493044179 253354802 /nfs/dbraw/zinc/35/48/02/253354802.db2.gz GWFTVJCQPBJLGS-FUEXJSSKSA-N 1 0 293.298 1.615 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289340121 197303761 /nfs/dbraw/zinc/30/37/61/197303761.db2.gz WTFKGAJWMSXPGR-ZDUSSCGKSA-N 1 0 278.312 1.139 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493207095 253399457 /nfs/dbraw/zinc/39/94/57/253399457.db2.gz NSRPEXHSJVKENX-PYEVWLCESA-N 1 0 293.298 1.567 20 5 CDBDRO O=[N+]([O-])c1cncc(Br)c1N1CC[NH2+]CC1 ZINC000221199866 285187266 /nfs/dbraw/zinc/18/72/66/285187266.db2.gz QEDBMJGXNQYHFJ-UHFFFAOYSA-N 1 0 287.117 1.162 20 5 CDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnnn1C ZINC000287432913 196856801 /nfs/dbraw/zinc/85/68/01/196856801.db2.gz SZNGVPZFKXYADW-NSHDSACASA-N 1 0 289.339 1.834 20 5 CDBDRO COCC[N@H+](C)CCCNc1ccc(N)cc1[N+](=O)[O-] ZINC000286006362 390190348 /nfs/dbraw/zinc/19/03/48/390190348.db2.gz DTGPAJHAESAVCO-UHFFFAOYSA-N 1 0 282.344 1.557 20 5 CDBDRO CC[NH2+][C@@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000602439494 390220401 /nfs/dbraw/zinc/22/04/01/390220401.db2.gz GXQMXSKTQJOXNX-VIFPVBQESA-N 1 0 263.297 1.482 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000320479718 390466098 /nfs/dbraw/zinc/46/60/98/390466098.db2.gz GTESQXMQOAPXLV-IUCAKERBSA-N 1 0 251.286 1.450 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](N(C)c2c([N+](=O)[O-])ncn2C)C1 ZINC000450948672 390580310 /nfs/dbraw/zinc/58/03/10/390580310.db2.gz HDVYWCKTIDKODG-JTQLQIEISA-N 1 0 267.333 1.247 20 5 CDBDRO C[C@H](C(=O)N1CC[NH2+]C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000396092599 390679903 /nfs/dbraw/zinc/67/99/03/390679903.db2.gz JRRLDXGUKIAUOW-NSHDSACASA-N 1 0 291.351 1.909 20 5 CDBDRO CC[C@@H](NC(=O)[C@@H](C[NH3+])OC)c1cccc([N+](=O)[O-])c1 ZINC000289835555 390941383 /nfs/dbraw/zinc/94/13/83/390941383.db2.gz DVISPQBFWXPYRG-VXGBXAGGSA-N 1 0 281.312 1.136 20 5 CDBDRO O=[N+]([O-])c1ccc(CCN2CCC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000299921511 391017445 /nfs/dbraw/zinc/01/74/45/391017445.db2.gz MHKOYGLKNTVIRH-DZGCQCFKSA-N 1 0 275.352 1.821 20 5 CDBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000517084994 390968259 /nfs/dbraw/zinc/96/82/59/390968259.db2.gz KHIUOUFWZSTJTO-NSHDSACASA-N 1 0 294.355 1.395 20 5 CDBDRO CC[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000264364047 391117328 /nfs/dbraw/zinc/11/73/28/391117328.db2.gz VOFDECWERPDPMP-STQMWFEESA-N 1 0 293.367 1.876 20 5 CDBDRO Cc1cc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000408068500 391239225 /nfs/dbraw/zinc/23/92/25/391239225.db2.gz VPXNXCQLXICPAZ-GHMZBOCLSA-N 1 0 264.329 1.827 20 5 CDBDRO CCC[C@](C)([NH3+])C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000519708487 391204046 /nfs/dbraw/zinc/20/40/46/391204046.db2.gz FWYSCPCQWOUMDD-AWEZNQCLSA-N 1 0 295.339 1.607 20 5 CDBDRO COc1ccc(CNC(=O)[C@@H](C)[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000295210239 533638922 /nfs/dbraw/zinc/63/89/22/533638922.db2.gz AIROJXQONRIZCY-SECBINFHSA-N 1 0 293.323 1.360 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)CC[NH3+] ZINC000415490446 391466330 /nfs/dbraw/zinc/46/63/30/391466330.db2.gz YOVZUXMTTXFJRZ-UHFFFAOYSA-N 1 0 266.301 1.634 20 5 CDBDRO CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000567893050 391546512 /nfs/dbraw/zinc/54/65/12/391546512.db2.gz LGLAHWUNOQYAMI-CYBMUJFWSA-N 1 0 292.339 1.217 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N(C)CC1CC[NH+](C)CC1 ZINC000192565369 391682325 /nfs/dbraw/zinc/68/23/25/391682325.db2.gz OVEHMAYTVKQSEM-UHFFFAOYSA-N 1 0 295.387 1.898 20 5 CDBDRO CNC(=O)CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000192660454 391746767 /nfs/dbraw/zinc/74/67/67/391746767.db2.gz AICHTQBZOARAFD-UHFFFAOYSA-N 1 0 251.286 1.163 20 5 CDBDRO C[C@@H](NCC1([NH3+])CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000342131514 130290948 /nfs/dbraw/zinc/29/09/48/130290948.db2.gz IAKZMSAXUVMSGW-SNVBAGLBSA-N 1 0 292.339 1.393 20 5 CDBDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000574210237 391876941 /nfs/dbraw/zinc/87/69/41/391876941.db2.gz PLQCQIQCBTVTFL-UWVGGRQHSA-N 1 0 270.333 1.215 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[NH2+]CCC1(F)F ZINC000591674061 391981248 /nfs/dbraw/zinc/98/12/48/391981248.db2.gz DWZPDEWFGHNKLU-NSHDSACASA-N 1 0 299.277 1.456 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCSC1 ZINC000449181051 392047519 /nfs/dbraw/zinc/04/75/19/392047519.db2.gz DQTGCKCDINWYEX-SMDDNHRTSA-N 1 0 296.392 1.983 20 5 CDBDRO C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1CO ZINC000248920976 131118949 /nfs/dbraw/zinc/11/89/49/131118949.db2.gz KSZBBIGRRKDHLI-MFKMUULPSA-N 1 0 250.298 1.798 20 5 CDBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000459781442 392506665 /nfs/dbraw/zinc/50/66/65/392506665.db2.gz SMGUGJGYPUKBGJ-YPMHNXCESA-N 1 0 293.323 1.351 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000459824863 392510228 /nfs/dbraw/zinc/51/02/28/392510228.db2.gz KIYJYLPSNXNCJW-DDTOSNHZSA-N 1 0 280.324 1.968 20 5 CDBDRO CCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000129207964 392799801 /nfs/dbraw/zinc/79/98/01/392799801.db2.gz RGWURAAISJENDP-UHFFFAOYSA-N 1 0 296.327 1.109 20 5 CDBDRO CC[C@@H]([NH3+])C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000129333497 392803498 /nfs/dbraw/zinc/80/34/98/392803498.db2.gz DCNYBNAKPUDAKX-SNVBAGLBSA-N 1 0 281.268 1.057 20 5 CDBDRO COCCCC[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000419379764 392891395 /nfs/dbraw/zinc/89/13/95/392891395.db2.gz FWZOXIZXBHUPTQ-UHFFFAOYSA-N 1 0 295.339 1.552 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420294024 392917728 /nfs/dbraw/zinc/91/77/28/392917728.db2.gz RZDACTILBZZTCE-NSHDSACASA-N 1 0 292.339 1.347 20 5 CDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425050697 392985875 /nfs/dbraw/zinc/98/58/75/392985875.db2.gz RSHAWFCLZFZIKX-GXTWGEPZSA-N 1 0 289.335 1.761 20 5 CDBDRO [NH3+]CC1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000430627810 393102839 /nfs/dbraw/zinc/10/28/39/393102839.db2.gz NTDXWHCYDIQLIO-UHFFFAOYSA-N 1 0 267.304 1.905 20 5 CDBDRO C[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000275638820 393115945 /nfs/dbraw/zinc/11/59/45/393115945.db2.gz WJZUUWFQMGLXCQ-LBPRGKRZSA-N 1 0 293.367 1.876 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CCC1(F)F ZINC000449656835 393137313 /nfs/dbraw/zinc/13/73/13/393137313.db2.gz MOBXELMZWAWAJV-LLVKDONJSA-N 1 0 299.277 1.251 20 5 CDBDRO [NH3+][C@H](CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000493752790 393220096 /nfs/dbraw/zinc/22/00/96/393220096.db2.gz KBFBSCSSNDRBBU-TXNVCOODSA-N 1 0 293.298 1.601 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C[C@@H]21 ZINC000230068560 140206672 /nfs/dbraw/zinc/20/66/72/140206672.db2.gz BXQJZQUOECFVGO-DVVUODLYSA-N 1 0 278.312 1.122 20 5 CDBDRO Cn1ccc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC000230880455 140214382 /nfs/dbraw/zinc/21/43/82/140214382.db2.gz JEKDROWRBOVGFD-UHFFFAOYSA-N 1 0 260.297 1.661 20 5 CDBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000231475658 140216413 /nfs/dbraw/zinc/21/64/13/140216413.db2.gz SPDZTEXEJAHVRP-LBPRGKRZSA-N 1 0 277.324 1.809 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC[N@@H+]1C ZINC000231677249 140217581 /nfs/dbraw/zinc/21/75/81/140217581.db2.gz DDBCZSOFWFNCRK-ONGXEEELSA-N 1 0 293.323 1.513 20 5 CDBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000232870452 140223998 /nfs/dbraw/zinc/22/39/98/140223998.db2.gz AQXWYMNRHZRSTM-SNVBAGLBSA-N 1 0 281.312 1.696 20 5 CDBDRO C[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)C[C@H]1C[NH3+] ZINC000253202060 140332599 /nfs/dbraw/zinc/33/25/99/140332599.db2.gz YPOXUSLPCVCBHR-VHSXEESVSA-N 1 0 250.302 1.411 20 5 CDBDRO O=[N+]([O-])c1cc(CN2CC[C@@]3(CC[NH2+]C3)C2)cs1 ZINC000261561862 140348367 /nfs/dbraw/zinc/34/83/67/140348367.db2.gz GCDRHCLLBHXLCH-GFCCVEGCSA-N 1 0 267.354 1.842 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261721457 140380558 /nfs/dbraw/zinc/38/05/58/140380558.db2.gz QFKNFDXYKYOHET-AWEZNQCLSA-N 1 0 290.323 1.812 20 5 CDBDRO C[NH2+][C@H](C)Cc1noc(-c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000261740719 140383270 /nfs/dbraw/zinc/38/32/70/140383270.db2.gz KZXYEQCPXSNDKQ-SSDOTTSWSA-N 1 0 277.284 1.377 20 5 CDBDRO CCc1nn(C)c(N2CCC(CC[NH2+]C)CC2)c1[N+](=O)[O-] ZINC000091576007 146985865 /nfs/dbraw/zinc/98/58/65/146985865.db2.gz OALYEKALSPBLLL-UHFFFAOYSA-N 1 0 295.387 1.717 20 5 CDBDRO COc1ccc(CN2CC[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000094342169 147084139 /nfs/dbraw/zinc/08/41/39/147084139.db2.gz GCILFOASLOFDHN-JQWIXIFHSA-N 1 0 279.340 1.773 20 5 CDBDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000312618904 149236119 /nfs/dbraw/zinc/23/61/19/149236119.db2.gz WGPPVPNWAVBUGY-NOZJJQNGSA-N 1 0 284.287 1.363 20 5 CDBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000343585035 152233385 /nfs/dbraw/zinc/23/33/85/152233385.db2.gz CULNFEDJYUOFNV-SNVBAGLBSA-N 1 0 280.328 1.527 20 5 CDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)C1 ZINC000346262312 153115894 /nfs/dbraw/zinc/11/58/94/153115894.db2.gz AJJYIGBNOPGSRO-CYBMUJFWSA-N 1 0 278.312 1.091 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261766660 292282892 /nfs/dbraw/zinc/28/28/92/292282892.db2.gz VMXBKOYQLCEOOF-NWDGAFQWSA-N 1 0 289.335 1.585 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000348522799 153916999 /nfs/dbraw/zinc/91/69/99/153916999.db2.gz ZTOLVNPUNNCYON-VXNVDRBHSA-N 1 0 290.270 1.578 20 5 CDBDRO CCOc1ccc(C(=O)N[C@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000349942046 154280599 /nfs/dbraw/zinc/28/05/99/154280599.db2.gz XPBPREXCXQWUAZ-SECBINFHSA-N 1 0 281.312 1.461 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](CO)C2CCCCC2)c1 ZINC000541054686 289481617 /nfs/dbraw/zinc/48/16/17/289481617.db2.gz NADYMXXMKUVKPN-CYBMUJFWSA-N 1 0 282.344 1.322 20 5 CDBDRO COc1c(C(=O)NCC[N@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000356108391 157357795 /nfs/dbraw/zinc/35/77/95/157357795.db2.gz IAUYRQYDZRFQMI-UHFFFAOYSA-N 1 0 295.339 1.673 20 5 CDBDRO CC[N@H+](CCNC(=O)Nc1ccncc1[N+](=O)[O-])C(C)C ZINC000359034513 158105374 /nfs/dbraw/zinc/10/53/74/158105374.db2.gz XHZXWWNRKGQKPY-UHFFFAOYSA-N 1 0 295.343 1.264 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000359298068 158205194 /nfs/dbraw/zinc/20/51/94/158205194.db2.gz YXJFZCSEGSRREB-VXGBXAGGSA-N 1 0 277.324 1.125 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CO)C2CCOCC2)cc1 ZINC000359892976 158408564 /nfs/dbraw/zinc/40/85/64/158408564.db2.gz IWCCGBCQMZTOGM-HNNXBMFYSA-N 1 0 294.351 1.514 20 5 CDBDRO CS[C@@H]1CN(c2ccc(N)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000286622607 286708723 /nfs/dbraw/zinc/70/87/23/286708723.db2.gz VZCGWOINHDMVON-CHWSQXEVSA-N 1 0 296.396 1.659 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC3CCC2CC3)n1 ZINC000362340060 159124849 /nfs/dbraw/zinc/12/48/49/159124849.db2.gz JRJIMLQWHZLPHQ-UHFFFAOYSA-N 1 0 250.302 1.666 20 5 CDBDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000362374992 159134177 /nfs/dbraw/zinc/13/41/77/159134177.db2.gz ZXHCSXXRUOMPIV-CABZTGNLSA-N 1 0 263.297 1.731 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000362446926 159151102 /nfs/dbraw/zinc/15/11/02/159151102.db2.gz IVDNAZICKNRTNR-WDEREUQCSA-N 1 0 280.328 1.329 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373061229 160169663 /nfs/dbraw/zinc/16/96/63/160169663.db2.gz YXDTZAOFGMGXMA-FZMZJTMJSA-N 1 0 289.335 1.727 20 5 CDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@]12CC[NH2+]C2 ZINC000373440551 160201034 /nfs/dbraw/zinc/20/10/34/160201034.db2.gz OETYYIOPFMVPGF-FZMZJTMJSA-N 1 0 275.308 1.211 20 5 CDBDRO COCCOCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000020192754 171058909 /nfs/dbraw/zinc/05/89/09/171058909.db2.gz WLUBLVCWSYBSSE-UHFFFAOYSA-N 1 0 268.313 1.738 20 5 CDBDRO COc1ccc(C(=O)NCCCC[NH3+])cc1[N+](=O)[O-] ZINC000037714532 173633490 /nfs/dbraw/zinc/63/34/90/173633490.db2.gz RLGDYVKUWXXUQC-UHFFFAOYSA-N 1 0 267.285 1.072 20 5 CDBDRO C[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000037985895 173946991 /nfs/dbraw/zinc/94/69/91/173946991.db2.gz VLBXLGPTKGKKQX-MRVPVSSYSA-N 1 0 266.301 1.056 20 5 CDBDRO CS(=O)(=O)CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000038047790 174058198 /nfs/dbraw/zinc/05/81/98/174058198.db2.gz SEPXAUQTXKRVKB-UHFFFAOYSA-N 1 0 278.355 1.181 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCOC2)cc1 ZINC000038094238 174107546 /nfs/dbraw/zinc/10/75/46/174107546.db2.gz YDDNLGARLTZLIG-GFCCVEGCSA-N 1 0 250.298 1.763 20 5 CDBDRO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676254 174373774 /nfs/dbraw/zinc/37/37/74/174373774.db2.gz AYZCJNKQXVUTTH-GXFFZTMASA-N 1 0 279.340 1.627 20 5 CDBDRO Cc1nn(C)c(NCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000040768096 174398630 /nfs/dbraw/zinc/39/86/30/174398630.db2.gz LDQBJRQTPNTQKA-UHFFFAOYSA-N 1 0 281.360 1.925 20 5 CDBDRO [NH3+]C[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000044528468 175193151 /nfs/dbraw/zinc/19/31/51/175193151.db2.gz WRQLHLAMNSEUQD-GFCCVEGCSA-N 1 0 277.324 1.335 20 5 CDBDRO COc1ccc(C(=O)N2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000044541953 175201583 /nfs/dbraw/zinc/20/15/83/175201583.db2.gz YGQJXCJEPOBVEZ-LLVKDONJSA-N 1 0 293.323 1.557 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000044559601 175204190 /nfs/dbraw/zinc/20/41/90/175204190.db2.gz YSKTWBDGZUXDJR-MRVPVSSYSA-N 1 0 281.341 1.622 20 5 CDBDRO C[NH2+]CCC1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000070190066 175881665 /nfs/dbraw/zinc/88/16/65/175881665.db2.gz DDIUDADPXOWTCG-UHFFFAOYSA-N 1 0 267.333 1.154 20 5 CDBDRO Cc1c(C(=O)N[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000071397084 176150828 /nfs/dbraw/zinc/15/08/28/176150828.db2.gz XGPKKLUEYKPSFS-SNVBAGLBSA-N 1 0 263.297 1.385 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000313324731 260284476 /nfs/dbraw/zinc/28/44/76/260284476.db2.gz SFAURHSTINLFIC-XZNJXGJCSA-N 1 0 289.335 1.804 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000313532971 260301014 /nfs/dbraw/zinc/30/10/14/260301014.db2.gz NQXSBQABTLUBST-SGJSMBNBSA-N 1 0 289.335 1.865 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC1([NH+](C)C)CC1 ZINC000397820721 270351009 /nfs/dbraw/zinc/35/10/09/270351009.db2.gz DTETXSVPLFJURD-UHFFFAOYSA-N 1 0 267.333 1.626 20 5 CDBDRO CN1CC[NH2+]C[C@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000394811422 270339099 /nfs/dbraw/zinc/33/90/99/270339099.db2.gz KRMGKNZLMGQRNS-JTQLQIEISA-N 1 0 268.292 1.049 20 5 CDBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H](C)O ZINC000395446639 270343439 /nfs/dbraw/zinc/34/34/39/270343439.db2.gz XNVWVDKTRCXDNY-QPUJVOFHSA-N 1 0 256.277 1.983 20 5 CDBDRO C[C@@H](O)C[NH+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000189397153 274270092 /nfs/dbraw/zinc/27/00/92/274270092.db2.gz SLMUNYONMCQRRH-LLVKDONJSA-N 1 0 297.330 1.232 20 5 CDBDRO C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000430943151 274586763 /nfs/dbraw/zinc/58/67/63/274586763.db2.gz GLRAAFIIZKMQFK-UWVGGRQHSA-N 1 0 267.304 1.916 20 5 CDBDRO CC(C)C[NH+]1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000286870593 275577235 /nfs/dbraw/zinc/57/72/35/275577235.db2.gz HSOQAZIXFNFHAX-UHFFFAOYSA-N 1 0 278.356 1.955 20 5 CDBDRO C[NH+](C)C1CN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432323536 276775645 /nfs/dbraw/zinc/77/56/45/276775645.db2.gz COUQPRJKVLXEMP-UHFFFAOYSA-N 1 0 272.308 1.893 20 5 CDBDRO CN(c1nccc2cc([N+](=O)[O-])ccc21)C1C[NH2+]C1 ZINC000420252057 277004656 /nfs/dbraw/zinc/00/46/56/277004656.db2.gz AAKPPMPBODNERF-UHFFFAOYSA-N 1 0 258.281 1.551 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000156524090 277057203 /nfs/dbraw/zinc/05/72/03/277057203.db2.gz FLRQPODOLIYONP-CQSZACIVSA-N 1 0 289.335 1.574 20 5 CDBDRO COCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000268891119 277226229 /nfs/dbraw/zinc/22/62/29/277226229.db2.gz JJSWVHUURASZJY-GXTWGEPZSA-N 1 0 293.367 1.966 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000237254792 277284887 /nfs/dbraw/zinc/28/48/87/277284887.db2.gz HNFLLEDGKDURPJ-SECBINFHSA-N 1 0 283.353 1.789 20 5 CDBDRO CO[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000167197641 277654389 /nfs/dbraw/zinc/65/43/89/277654389.db2.gz WZLPETQLPVHQIY-CHWSQXEVSA-N 1 0 293.323 1.173 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000261627124 277765624 /nfs/dbraw/zinc/76/56/24/277765624.db2.gz HHPQGESYRCCWNV-ZDMBXUJBSA-N 1 0 295.314 1.850 20 5 CDBDRO CC(C)[C@@](C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000289455948 277849928 /nfs/dbraw/zinc/84/99/28/277849928.db2.gz XTPZEXRCRDOQQX-CQSZACIVSA-N 1 0 279.340 1.627 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000262730127 278316941 /nfs/dbraw/zinc/31/69/41/278316941.db2.gz CATDVNVYWYIHEL-MWLCHTKSSA-N 1 0 292.339 1.519 20 5 CDBDRO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CCC[N@@H+]1C ZINC000343480484 279124765 /nfs/dbraw/zinc/12/47/65/279124765.db2.gz DLADSRKBJNDBEU-NOZJJQNGSA-N 1 0 295.314 1.946 20 5 CDBDRO CCCC[N@H+](CC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090511518 279278750 /nfs/dbraw/zinc/27/87/50/279278750.db2.gz ROSCVIFKIZQKLL-UHFFFAOYSA-N 1 0 267.329 1.879 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000336817609 279501110 /nfs/dbraw/zinc/50/11/10/279501110.db2.gz QZOYASITDQUHMH-GXSJLCMTSA-N 1 0 263.297 1.476 20 5 CDBDRO Cc1c(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000070076343 280211645 /nfs/dbraw/zinc/21/16/45/280211645.db2.gz USSSMWQFWQJGQX-AOOOYVTPSA-N 1 0 277.324 1.726 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000179197644 289540598 /nfs/dbraw/zinc/54/05/98/289540598.db2.gz XAGLBXOAFPWYLA-SECBINFHSA-N 1 0 283.353 1.493 20 5 CDBDRO C[NH+](C)CCSCCn1cc([N+](=O)[O-])ccc1=O ZINC000160167935 292779343 /nfs/dbraw/zinc/77/93/43/292779343.db2.gz ZRMJQBJIPNORNB-UHFFFAOYSA-N 1 0 271.342 1.051 20 5 CDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000552032593 290044193 /nfs/dbraw/zinc/04/41/93/290044193.db2.gz MGENIACIUDHRIE-NSHDSACASA-N 1 0 294.355 1.538 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000567261915 293747444 /nfs/dbraw/zinc/74/74/44/293747444.db2.gz WZGOQGAVVRIIDB-SNVBAGLBSA-N 1 0 280.328 1.195 20 5 CDBDRO C[NH2+]CCN(C)c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000569017782 294143827 /nfs/dbraw/zinc/14/38/27/294143827.db2.gz PUEZDIOEFXBDJM-UHFFFAOYSA-N 1 0 268.317 1.433 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[C@H]1CCC[NH2+]C1 ZINC000569118646 294160736 /nfs/dbraw/zinc/16/07/36/294160736.db2.gz QKLRIEOFWVOSAH-SNVBAGLBSA-N 1 0 251.286 1.146 20 5 CDBDRO CC[C@@H](O)CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000571209310 294389695 /nfs/dbraw/zinc/38/96/95/294389695.db2.gz QWPIDAJWSITUGQ-OLZOCXBDSA-N 1 0 298.339 1.085 20 5 CDBDRO CC(=O)NCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574926866 295078498 /nfs/dbraw/zinc/07/84/98/295078498.db2.gz PHQNNYSIIHQPMM-ZDUSSCGKSA-N 1 0 277.324 1.698 20 5 CDBDRO COc1cccc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)c1[N+](=O)[O-] ZINC000423440655 295287560 /nfs/dbraw/zinc/28/75/60/295287560.db2.gz AUHOBYBNQAKHRI-ZJUUUORDSA-N 1 0 293.323 1.413 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[NH2+]C1 ZINC000570028838 316895809 /nfs/dbraw/zinc/89/58/09/316895809.db2.gz TYCAFHZZPQYQEO-LLVKDONJSA-N 1 0 278.312 1.146 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000577620786 317368871 /nfs/dbraw/zinc/36/88/71/317368871.db2.gz QZKONNVUTGJEAE-OLZOCXBDSA-N 1 0 265.313 1.443 20 5 CDBDRO CCOC(=O)C[C@H](C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000182658028 323292708 /nfs/dbraw/zinc/29/27/08/323292708.db2.gz SVBPIRLAAPKRHC-JTQLQIEISA-N 1 0 284.316 1.065 20 5 CDBDRO Cc1c(C(=O)N[C@@H](CC[NH3+])C(F)F)cccc1[N+](=O)[O-] ZINC000383438244 323667622 /nfs/dbraw/zinc/66/76/22/323667622.db2.gz DUOJNRDOJVVNDN-VIFPVBQESA-N 1 0 287.266 1.616 20 5 CDBDRO CNc1ccc(C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000579241572 324138691 /nfs/dbraw/zinc/13/86/91/324138691.db2.gz CJEIBQNBVZZTQB-UWVGGRQHSA-N 1 0 292.339 1.459 20 5 CDBDRO C[NH+](C)CCN(c1ncc([N+](=O)[O-])cn1)C1CCCC1 ZINC000582879046 325060678 /nfs/dbraw/zinc/06/06/78/325060678.db2.gz WKWGDNGOYAQOEH-UHFFFAOYSA-N 1 0 279.344 1.695 20 5 CDBDRO C[C@H](O)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000583703766 325227237 /nfs/dbraw/zinc/22/72/37/325227237.db2.gz JAKLJMBYDKMISC-JOYOIKCWSA-N 1 0 250.298 1.943 20 5 CDBDRO O=[N+]([O-])c1c(F)cc(F)cc1NC[C@H]1COCC[NH2+]1 ZINC000236276612 1159453670 /nfs/dbraw/zinc/45/36/70/1159453670.db2.gz APCPGVBCXBOXCL-QMMMGPOBSA-N 1 0 273.239 1.273 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(N2CC[C@H]([NH3+])C2)nc1Cl ZINC001156229303 1161990456 /nfs/dbraw/zinc/99/04/56/1161990456.db2.gz YGNIUPXOJFNQCT-ZETCQYMHSA-N 1 0 256.693 1.489 20 5 CDBDRO C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000153174810 534306125 /nfs/dbraw/zinc/30/61/25/534306125.db2.gz FZKDBLMQTHQXIF-GHMZBOCLSA-N 1 0 293.323 1.182 20 5 CDBDRO C[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[NH2+]1 ZINC000420238384 518180224 /nfs/dbraw/zinc/18/02/24/518180224.db2.gz LBHBBBPUSDPRLP-SECBINFHSA-N 1 0 262.313 1.361 20 5 CDBDRO CCCc1n[nH]c(C(=O)NCC[NH2+]C(C)(C)C)c1[N+](=O)[O-] ZINC000153841021 521326563 /nfs/dbraw/zinc/32/65/63/521326563.db2.gz RVPYVMYDCCEMKJ-UHFFFAOYSA-N 1 0 297.359 1.388 20 5 CDBDRO C[NH2+]CCC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000070189314 521983126 /nfs/dbraw/zinc/98/31/26/521983126.db2.gz RHPIHSDPSKSHRJ-UHFFFAOYSA-N 1 0 281.312 1.650 20 5 CDBDRO COc1cc(C(=O)NC2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000156692538 522103650 /nfs/dbraw/zinc/10/36/50/522103650.db2.gz BPQLADXBDKXSMN-UHFFFAOYSA-N 1 0 293.323 1.603 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1O[C@H]1CCC[NH2+]C1 ZINC000050505283 522983487 /nfs/dbraw/zinc/98/34/87/522983487.db2.gz RWFXVEYINSITTD-JTQLQIEISA-N 1 0 252.270 1.734 20 5 CDBDRO COCCC[N@H+](C)CCNc1ccccc1[N+](=O)[O-] ZINC000078372746 523228945 /nfs/dbraw/zinc/22/89/45/523228945.db2.gz KOQFLZIATGAWAZ-UHFFFAOYSA-N 1 0 267.329 1.975 20 5 CDBDRO COCC[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1C ZINC000061379485 523615714 /nfs/dbraw/zinc/61/57/14/523615714.db2.gz JQSPEBHNDSSHHA-UHFFFAOYSA-N 1 0 268.317 1.288 20 5 CDBDRO C[C@@H]([NH3+])CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000063170465 524999117 /nfs/dbraw/zinc/99/91/17/524999117.db2.gz UCYPMYZPGDGIAW-LJJSCBMDSA-N 1 0 263.297 1.462 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000158039547 525458380 /nfs/dbraw/zinc/45/83/80/525458380.db2.gz RKRTUVIXNHGTIM-SKDRFNHKSA-N 1 0 293.323 1.461 20 5 CDBDRO Cc1c(C[NH2+][C@@H]2CCCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000069144232 525728981 /nfs/dbraw/zinc/72/89/81/525728981.db2.gz UVIPSUJVBHUGPI-GFCCVEGCSA-N 1 0 298.364 1.570 20 5 CDBDRO O=C(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)NCC1CC1 ZINC000037668633 526883312 /nfs/dbraw/zinc/88/33/12/526883312.db2.gz WVXZHSYRTQLTRL-UHFFFAOYSA-N 1 0 263.297 1.211 20 5 CDBDRO NC(=O)c1cccc(NCC[N@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000338710448 527085406 /nfs/dbraw/zinc/08/54/06/527085406.db2.gz HUQOHBCQQCFXMY-UHFFFAOYSA-N 1 0 290.323 1.368 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000050228738 527409760 /nfs/dbraw/zinc/40/97/60/527409760.db2.gz VPTAVQDRBZUNJM-GQOHGMTASA-N 1 0 261.281 1.168 20 5 CDBDRO CC(C)c1n[nH]c(C(=O)NCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000433859831 535321873 /nfs/dbraw/zinc/32/18/73/535321873.db2.gz VMEUHMYRNBIPSF-UHFFFAOYSA-N 1 0 295.343 1.267 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[NH2+]CC2)c1 ZINC000422720302 535426351 /nfs/dbraw/zinc/42/63/51/535426351.db2.gz ZCMCBQYHKGPYMD-UHFFFAOYSA-N 1 0 293.323 1.429 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000323048567 536299047 /nfs/dbraw/zinc/29/90/47/536299047.db2.gz QBFSZSWBRUTFPX-QMMMGPOBSA-N 1 0 285.731 1.862 20 5 CDBDRO COC(=O)c1ccc(OC[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000187671688 538448431 /nfs/dbraw/zinc/44/84/31/538448431.db2.gz SYKZMGWENYNGPE-SNVBAGLBSA-N 1 0 294.307 1.712 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)C2CC2)c2c(c1)COCO2 ZINC000734161770 575160808 /nfs/dbraw/zinc/16/08/08/575160808.db2.gz YZBAZMYOJUOPFI-ZDUSSCGKSA-N 1 0 294.307 1.322 20 5 CDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000742241273 576591470 /nfs/dbraw/zinc/59/14/70/576591470.db2.gz UEPDYEBIICAIGH-NSHDSACASA-N 1 0 277.324 1.809 20 5 CDBDRO C[C@@H]([NH2+][C@H](CO)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000763069014 576708023 /nfs/dbraw/zinc/70/80/23/576708023.db2.gz NZCCAQSQSABUSO-BXKDBHETSA-N 1 0 293.323 1.282 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1COCCO1 ZINC000084439878 679859504 /nfs/dbraw/zinc/85/95/04/679859504.db2.gz WHFOULNBOKSZBH-LLVKDONJSA-N 1 0 286.715 1.753 20 5 CDBDRO Cc1nc(N[C@@H]2C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000123831227 1175270274 /nfs/dbraw/zinc/27/02/74/1175270274.db2.gz OPUKAYJCFJYUHP-LLVKDONJSA-N 1 0 262.313 1.804 20 5 CDBDRO COc1cc(C[NH2+][C@H]2COC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000932487457 617314275 /nfs/dbraw/zinc/31/42/75/617314275.db2.gz BLJFMIZEZQTLKD-KCJUWKMLSA-N 1 0 284.287 1.867 20 5 CDBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000890886318 617345526 /nfs/dbraw/zinc/34/55/26/617345526.db2.gz DCAFNWJSENBUER-UHFFFAOYSA-N 1 0 283.328 1.848 20 5 CDBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1c([N+](=O)[O-])cnn1C ZINC000891971950 617911472 /nfs/dbraw/zinc/91/14/72/617911472.db2.gz WMBSUZRRQZCXBI-GHMZBOCLSA-N 1 0 281.360 1.861 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CCC(C[NH+](C)C)CC1 ZINC000891883198 617714307 /nfs/dbraw/zinc/71/43/07/617714307.db2.gz JGMZOUVFLITCHJ-UHFFFAOYSA-N 1 0 267.333 1.106 20 5 CDBDRO C[N@@H+]1C[C@H]2CCN(c3ncc([N+](=O)[O-])s3)[C@H]2C1 ZINC000893938840 618201223 /nfs/dbraw/zinc/20/12/23/618201223.db2.gz GNEKWRSQGIDKKL-SFYZADRCSA-N 1 0 254.315 1.192 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000894435988 618885830 /nfs/dbraw/zinc/88/58/30/618885830.db2.gz GMMAUDNJCSXNDG-MNOVXSKESA-N 1 0 279.344 1.757 20 5 CDBDRO COC(=O)N1CC(C)([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000894541746 618951013 /nfs/dbraw/zinc/95/10/13/618951013.db2.gz CLLNRXFATUBPQW-UHFFFAOYSA-N 1 0 293.323 1.834 20 5 CDBDRO CCC1(C[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])COC1 ZINC000894750175 619043230 /nfs/dbraw/zinc/04/32/30/619043230.db2.gz GYIGMGJPJZIMPJ-UHFFFAOYSA-N 1 0 296.323 1.825 20 5 CDBDRO CC1(C)CNC(=O)[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000895319271 619552469 /nfs/dbraw/zinc/55/24/69/619552469.db2.gz WLWYKAFWQIAQLH-VUDGCMKMSA-N 1 0 289.335 1.722 20 5 CDBDRO CCO[C@H]1CCC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000902882397 625568649 /nfs/dbraw/zinc/56/86/49/625568649.db2.gz RAHBNDCXHPXVAW-YPMHNXCESA-N 1 0 282.344 1.729 20 5 CDBDRO [NH3+]C1(CNCc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000904443759 626299451 /nfs/dbraw/zinc/29/94/51/626299451.db2.gz NIEXLNLUGDWYGH-UHFFFAOYSA-N 1 0 255.705 1.829 20 5 CDBDRO COc1ccc(CNCC2([NH3+])CC2)cc1[N+](=O)[O-] ZINC000904449789 626300312 /nfs/dbraw/zinc/30/03/12/626300312.db2.gz NPCASTYPZJBYJZ-UHFFFAOYSA-N 1 0 251.286 1.184 20 5 CDBDRO COc1ccc(CCC[NH2+]CC[N+](=O)[O-])cc1OC ZINC000905059931 626609148 /nfs/dbraw/zinc/60/91/48/626609148.db2.gz JPPFKLBXOSRIPA-UHFFFAOYSA-N 1 0 268.313 1.503 20 5 CDBDRO C[C@H]1CN(Cc2cccc(C[NH2+]CC[N+](=O)[O-])c2)CCO1 ZINC000905060114 626609656 /nfs/dbraw/zinc/60/96/56/626609656.db2.gz KIOKQNLXTVAZMM-ZDUSSCGKSA-N 1 0 293.367 1.274 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000905116652 626628280 /nfs/dbraw/zinc/62/82/80/626628280.db2.gz IAPIWQOIENQFGC-UHFFFAOYSA-N 1 0 296.714 1.799 20 5 CDBDRO CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905204139 626690242 /nfs/dbraw/zinc/69/02/42/626690242.db2.gz YALFJFUIPJTIOC-BXKDBHETSA-N 1 0 256.277 1.768 20 5 CDBDRO CCC[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000905360381 626770018 /nfs/dbraw/zinc/77/00/18/626770018.db2.gz MZWMNPDKYJHBMM-OLZOCXBDSA-N 1 0 252.314 1.755 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1C[C@H]([NH3+])C1 ZINC000906508689 627296661 /nfs/dbraw/zinc/29/66/61/627296661.db2.gz UXJVWEOJYFIREG-XYPYZODXSA-N 1 0 265.313 1.573 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH3+] ZINC000911630670 629375293 /nfs/dbraw/zinc/37/52/93/629375293.db2.gz ZPHPTBPBFGEPGR-UHFFFAOYSA-N 1 0 255.299 1.005 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000912262368 629875967 /nfs/dbraw/zinc/87/59/67/629875967.db2.gz RTPLMDJZKWSHOP-CYZMBNFOSA-N 1 0 275.308 1.352 20 5 CDBDRO C[NH+](C)C[C@@H](O)CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000914684183 631544807 /nfs/dbraw/zinc/54/48/07/631544807.db2.gz LYRGYUNKTXKTDK-JTQLQIEISA-N 1 0 290.323 1.477 20 5 CDBDRO C[NH2+]CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843333347 682623534 /nfs/dbraw/zinc/62/35/34/682623534.db2.gz JZMVHLVJZKKTBR-UHFFFAOYSA-N 1 0 289.694 1.265 20 5 CDBDRO C[NH2+]CCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000704331116 683802605 /nfs/dbraw/zinc/80/26/05/683802605.db2.gz VBYMNLWAPMBGKY-UHFFFAOYSA-N 1 0 271.704 1.588 20 5 CDBDRO CC[N@H+](C[C@H]1CCOC1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779865811 679750135 /nfs/dbraw/zinc/75/01/35/679750135.db2.gz QWGXAKDZJRKHIP-LLVKDONJSA-N 1 0 268.317 1.416 20 5 CDBDRO Cc1nn(C)c(-c2nc([C@H]([NH3+])C(C)C)no2)c1[N+](=O)[O-] ZINC000843149405 679750729 /nfs/dbraw/zinc/75/07/29/679750729.db2.gz MJLQZVMONBBFAG-SSDOTTSWSA-N 1 0 280.288 1.343 20 5 CDBDRO CC(C)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001001399877 679751098 /nfs/dbraw/zinc/75/10/98/679751098.db2.gz NWQCDXFZAVYZQW-CHWSQXEVSA-N 1 0 283.372 1.136 20 5 CDBDRO C[C@H](N[C@H]1CCC[NH2+]C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817942121 679765166 /nfs/dbraw/zinc/76/51/66/679765166.db2.gz WWKFZOHEYZNUTC-ONGXEEELSA-N 1 0 264.329 1.580 20 5 CDBDRO C[C@H]([NH2+]CCc1ccnn1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815616168 679774895 /nfs/dbraw/zinc/77/48/95/679774895.db2.gz HXZKKIDHMPFTCY-JTQLQIEISA-N 1 0 289.339 1.804 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000886575108 679775046 /nfs/dbraw/zinc/77/50/46/679775046.db2.gz FXVFTBKNOLGNMI-PMOUVXMZSA-N 1 0 292.335 1.331 20 5 CDBDRO CC[C@H](CCO)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788600424 679776938 /nfs/dbraw/zinc/77/69/38/679776938.db2.gz CTEYLLOFEIPPDM-MWLCHTKSSA-N 1 0 267.329 1.989 20 5 CDBDRO CC[C@@](C)(O)C[N@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000930248023 679795421 /nfs/dbraw/zinc/79/54/21/679795421.db2.gz HEIKSPJTAKEFAE-CQSZACIVSA-N 1 0 266.341 1.926 20 5 CDBDRO Cc1c(C[NH2+][C@H](C)C(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000229012703 679835214 /nfs/dbraw/zinc/83/52/14/679835214.db2.gz IAXRYJWFCNOWEC-LLVKDONJSA-N 1 0 279.340 1.906 20 5 CDBDRO CCc1[nH]nc(C(=O)OCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000795616330 679835490 /nfs/dbraw/zinc/83/54/90/679835490.db2.gz RHJFLBKLZURJHV-UHFFFAOYSA-N 1 0 296.327 1.523 20 5 CDBDRO C[NH2+]CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000054244838 679835647 /nfs/dbraw/zinc/83/56/47/679835647.db2.gz QKVADIWVMOFJSS-UHFFFAOYSA-N 1 0 274.118 1.989 20 5 CDBDRO CCN(c1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CC[NH2+]C1 ZINC000094772164 679862221 /nfs/dbraw/zinc/86/22/21/679862221.db2.gz BZOQPJZAGVPXGX-JTQLQIEISA-N 1 0 275.312 1.659 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1cccnc1[N+](=O)[O-] ZINC000886315249 681255667 /nfs/dbraw/zinc/25/56/67/681255667.db2.gz CKKGKSRGXLGSGP-QWHCGFSZSA-N 1 0 276.340 1.658 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H](CCO)C2)cc1 ZINC000776581918 681529920 /nfs/dbraw/zinc/52/99/20/681529920.db2.gz IZAGULXSLXADLU-WFASDCNBSA-N 1 0 294.351 1.723 20 5 CDBDRO C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000312591504 681541478 /nfs/dbraw/zinc/54/14/78/681541478.db2.gz QBXHZXFAMMMNQY-JQWIXIFHSA-N 1 0 277.324 1.742 20 5 CDBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839537689 681711406 /nfs/dbraw/zinc/71/14/06/681711406.db2.gz YRIUEOVEYGZSFJ-JHJVBQTASA-N 1 0 283.372 1.280 20 5 CDBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000796201211 681763992 /nfs/dbraw/zinc/76/39/92/681763992.db2.gz GCZPHOHFAJUSPM-ZIAGYGMSSA-N 1 0 280.324 1.739 20 5 CDBDRO CN1CC[NH+](CC2CN(c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000858611855 681764457 /nfs/dbraw/zinc/76/44/57/681764457.db2.gz UKWLNHZHWMBNDQ-UHFFFAOYSA-N 1 0 290.367 1.278 20 5 CDBDRO CC[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)OC ZINC000819321406 681809186 /nfs/dbraw/zinc/80/91/86/681809186.db2.gz GWBHAKQOTACNAC-STQMWFEESA-N 1 0 268.313 1.643 20 5 CDBDRO Cc1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc(Cl)n1 ZINC000797602403 681841318 /nfs/dbraw/zinc/84/13/18/681841318.db2.gz QPLJNQKINNYQFU-UHFFFAOYSA-N 1 0 295.730 1.938 20 5 CDBDRO C[NH2+]C[C@H](C)c1noc(-c2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000842576762 681849057 /nfs/dbraw/zinc/84/90/57/681849057.db2.gz LWKADOKEIFLSEH-QMMMGPOBSA-N 1 0 292.295 1.976 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843463079 681864612 /nfs/dbraw/zinc/86/46/12/681864612.db2.gz XQFBFXSVHKIBGM-ZCFIWIBFSA-N 1 0 289.694 1.393 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000866678203 681911561 /nfs/dbraw/zinc/91/15/61/681911561.db2.gz JRMJRMWTEBOBSU-QWRGUYRKSA-N 1 0 267.716 1.794 20 5 CDBDRO [NH3+][C@@H](CC(=O)NCCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000830591933 681971289 /nfs/dbraw/zinc/97/12/89/681971289.db2.gz NKEGSAUTZKGNQJ-LBPRGKRZSA-N 1 0 277.324 1.381 20 5 CDBDRO COC[C@@H](C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])OC ZINC000234709385 682049289 /nfs/dbraw/zinc/04/92/89/682049289.db2.gz FRKWWXZTURRMCS-LLVKDONJSA-N 1 0 288.731 1.999 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)c1 ZINC000886581822 682093313 /nfs/dbraw/zinc/09/33/13/682093313.db2.gz RQTHRSFYZGEZFK-BYCMXARLSA-N 1 0 292.335 1.676 20 5 CDBDRO Cc1cc(NC[C@H](O)C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000717418173 682097252 /nfs/dbraw/zinc/09/72/52/682097252.db2.gz ZKDQDSPUYNOIDI-VIFPVBQESA-N 1 0 271.292 1.377 20 5 CDBDRO Cc1c(C[NH2+]CCNc2cnccn2)cccc1[N+](=O)[O-] ZINC000873078521 682202206 /nfs/dbraw/zinc/20/22/06/682202206.db2.gz KXSVVFORHDPNGE-UHFFFAOYSA-N 1 0 287.323 1.895 20 5 CDBDRO CC(C)c1ccc(C[NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000886241419 682296104 /nfs/dbraw/zinc/29/61/04/682296104.db2.gz YEFOYUZUOSBNFJ-UWEBFBLFSA-N 1 0 294.351 1.692 20 5 CDBDRO Cc1nc([N+](=O)[O-])cn1CCc1nc([C@H]([NH3+])C(C)C)no1 ZINC000843155642 682325111 /nfs/dbraw/zinc/32/51/11/682325111.db2.gz WJOODFSVLQRMHX-LLVKDONJSA-N 1 0 294.315 1.381 20 5 CDBDRO CC(C)(C)[C@H]([NH3+])CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000136944472 682333182 /nfs/dbraw/zinc/33/31/82/682333182.db2.gz XXUBHLAUUFFDFY-GFCCVEGCSA-N 1 0 279.340 1.975 20 5 CDBDRO C[C@@H]([NH3+])CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000843356007 682373658 /nfs/dbraw/zinc/37/36/58/682373658.db2.gz AQGKOYJMIKQWPS-LLVKDONJSA-N 1 0 264.329 1.064 20 5 CDBDRO CCCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000923287990 682556442 /nfs/dbraw/zinc/55/64/42/682556442.db2.gz WSGFUKHWBIPYEI-GJZGRUSLSA-N 1 0 293.367 1.702 20 5 CDBDRO C[NH+](C)C(C)(C)CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822215465 682652677 /nfs/dbraw/zinc/65/26/77/682652677.db2.gz BOIASILTAAZOHH-UHFFFAOYSA-N 1 0 259.350 1.278 20 5 CDBDRO CC[C@H](CO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000844257037 682676662 /nfs/dbraw/zinc/67/66/62/682676662.db2.gz PPVGRYNNQCWLPI-SNVBAGLBSA-N 1 0 281.312 1.284 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1COC[C@H]1C ZINC000932493554 682792924 /nfs/dbraw/zinc/79/29/24/682792924.db2.gz HWIRIRCYJYZDKX-MNOVXSKESA-N 1 0 293.323 1.466 20 5 CDBDRO CC[C@@H](CO)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000931775084 682828073 /nfs/dbraw/zinc/82/80/73/682828073.db2.gz QXRXXEDIWGKUHL-VIFPVBQESA-N 1 0 272.276 1.603 20 5 CDBDRO C[C@@H](NC(=O)N1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000925228466 683097628 /nfs/dbraw/zinc/09/76/28/683097628.db2.gz XEZJKUCSJUBBDV-LLVKDONJSA-N 1 0 292.339 1.613 20 5 CDBDRO C[C@@H](O)CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843074223 683181103 /nfs/dbraw/zinc/18/11/03/683181103.db2.gz CQRKAYIEDLCLTE-MFKMUULPSA-N 1 0 268.313 1.379 20 5 CDBDRO Cc1c(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)cccc1[N+](=O)[O-] ZINC000090030364 683214947 /nfs/dbraw/zinc/21/49/47/683214947.db2.gz ZUQVBHPRTKKIFM-LLVKDONJSA-N 1 0 291.307 1.140 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000791054699 683230414 /nfs/dbraw/zinc/23/04/14/683230414.db2.gz PLAUGYWFPMCESJ-AWEZNQCLSA-N 1 0 278.308 1.775 20 5 CDBDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000930176251 683241912 /nfs/dbraw/zinc/24/19/12/683241912.db2.gz XIHRMGBBRNFPCH-SNVBAGLBSA-N 1 0 258.318 1.174 20 5 CDBDRO [NH3+]CC1(O)CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000841107475 683301295 /nfs/dbraw/zinc/30/12/95/683301295.db2.gz HMJLTHUEPCVFJT-UHFFFAOYSA-N 1 0 299.758 1.534 20 5 CDBDRO Cc1ccc(NCC[N@H+](C)CCO)c([N+](=O)[O-])c1 ZINC000884823730 683358074 /nfs/dbraw/zinc/35/80/74/683358074.db2.gz BPWUWRFBCMBEMU-UHFFFAOYSA-N 1 0 253.302 1.239 20 5 CDBDRO CC[C@H]1CC[C@@H]1[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877830427 683402906 /nfs/dbraw/zinc/40/29/06/683402906.db2.gz HJPOHCFZVLGOEE-BSLXNSKLSA-N 1 0 294.351 1.767 20 5 CDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CC1 ZINC001021757997 683470037 /nfs/dbraw/zinc/47/00/37/683470037.db2.gz GZQGIVLUHDEFLJ-BETUJISGSA-N 1 0 289.335 1.742 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCO[C@H]2CCOC2)c(F)c1 ZINC000922939555 683477450 /nfs/dbraw/zinc/47/74/50/683477450.db2.gz GWKQGVLCGSIMAL-LBPRGKRZSA-N 1 0 284.287 1.629 20 5 CDBDRO Cc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000714028980 683584807 /nfs/dbraw/zinc/58/48/07/683584807.db2.gz INJALYPWZCIZGP-GWCFXTLKSA-N 1 0 250.298 1.716 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(CN2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000866678448 683591903 /nfs/dbraw/zinc/59/19/03/683591903.db2.gz QBQUVYGWQBOPAD-ONGXEEELSA-N 1 0 267.716 1.794 20 5 CDBDRO C[C@@H]1C[C@@H](C)N(Cc2cccnc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000886840316 683731888 /nfs/dbraw/zinc/73/18/88/683731888.db2.gz YYIMTHNRWSOBLW-WZRBSPASSA-N 1 0 278.356 1.795 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN(CCO)C1CCC1 ZINC000886162531 683748665 /nfs/dbraw/zinc/74/86/65/683748665.db2.gz SBDJBSALEPYFSI-UHFFFAOYSA-N 1 0 251.286 1.337 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](O)C2)cc1Cl ZINC000827826463 683844676 /nfs/dbraw/zinc/84/46/76/683844676.db2.gz GYQULQHLFZIMAY-KYZUINATSA-N 1 0 256.689 1.861 20 5 CDBDRO COC(=O)CC(C)(C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178872517 683853184 /nfs/dbraw/zinc/85/31/84/683853184.db2.gz AFXALVCTLSMMCA-GFCCVEGCSA-N 1 0 296.323 1.560 20 5 CDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000831873697 683856110 /nfs/dbraw/zinc/85/61/10/683856110.db2.gz ZXVWATSSJSERBS-OLZOCXBDSA-N 1 0 297.399 1.907 20 5 CDBDRO O=[N+]([O-])c1cnn(CN2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000172511832 683860519 /nfs/dbraw/zinc/86/05/19/683860519.db2.gz CGVSULMJPMKSSM-UHFFFAOYSA-N 1 0 293.371 1.699 20 5 CDBDRO Cc1nn(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000795708113 683862697 /nfs/dbraw/zinc/86/26/97/683862697.db2.gz REYIRCBHLJRVQZ-AAEUAGOBSA-N 1 0 293.371 1.616 20 5 CDBDRO O=C(N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139096 683869276 /nfs/dbraw/zinc/86/92/76/683869276.db2.gz QJPWLFAXQNDQNI-AAVRWANBSA-N 1 0 293.367 1.389 20 5 CDBDRO C[C@H](O)CC[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279838 683883731 /nfs/dbraw/zinc/88/37/31/683883731.db2.gz YIGKCOGPZFAXKK-GWCFXTLKSA-N 1 0 268.313 1.331 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702056129 683904462 /nfs/dbraw/zinc/90/44/62/683904462.db2.gz PYZNZPKWMPHDCQ-MRVPVSSYSA-N 1 0 271.704 1.715 20 5 CDBDRO C[NH2+][C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000129118500 683938533 /nfs/dbraw/zinc/93/85/33/683938533.db2.gz JKORNSZKWXJSPS-SECBINFHSA-N 1 0 251.286 1.402 20 5 CDBDRO C[N@H+](Cn1nccc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000170727724 683987490 /nfs/dbraw/zinc/98/74/90/683987490.db2.gz LKYKJWFQEPZGLX-UHFFFAOYSA-N 1 0 250.302 1.869 20 5 CDBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877166322 684008560 /nfs/dbraw/zinc/00/85/60/684008560.db2.gz RODSKEOVYTZGJH-IUCAKERBSA-N 1 0 281.699 1.435 20 5 CDBDRO COC[C@]1(C)CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000840104363 684025569 /nfs/dbraw/zinc/02/55/69/684025569.db2.gz KSYZMYPXCNBINC-LLVKDONJSA-N 1 0 254.290 1.107 20 5 CDBDRO C[S@@](=O)CCNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000865542845 684113191 /nfs/dbraw/zinc/11/31/91/684113191.db2.gz YDHSROOKMIBFEU-LJQANCHMSA-N 1 0 279.321 1.355 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](C)[NH+](C)C)CC2 ZINC000821706201 684209141 /nfs/dbraw/zinc/20/91/41/684209141.db2.gz QCIFYAOXVDXHLS-SNVBAGLBSA-N 1 0 277.324 1.742 20 5 CDBDRO [NH3+]CC1(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000841490908 684269156 /nfs/dbraw/zinc/26/91/56/684269156.db2.gz NAOSWDQWGWFYKU-UHFFFAOYSA-N 1 0 274.280 1.926 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCOCCO ZINC000866217340 684288776 /nfs/dbraw/zinc/28/87/76/684288776.db2.gz XMPGIERQHAEMES-JTQLQIEISA-N 1 0 286.303 1.263 20 5 CDBDRO Cc1nn(CN2CCC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000779860647 684297763 /nfs/dbraw/zinc/29/77/63/684297763.db2.gz FPWVEYOYHGQOFL-LLVKDONJSA-N 1 0 250.302 1.932 20 5 CDBDRO Cc1c(F)cnc(NCC2C[NH+](C)C2)c1[N+](=O)[O-] ZINC001170252114 1162325020 /nfs/dbraw/zinc/32/50/20/1162325020.db2.gz KGODZYHREKEQGS-UHFFFAOYSA-N 1 0 254.265 1.411 20 5 CDBDRO COC(=O)c1cc(C)nc(NCC2C[NH+](C)C2)c1[N+](=O)[O-] ZINC001170254211 1162325751 /nfs/dbraw/zinc/32/57/51/1162325751.db2.gz XMQLPTNPNREKKX-UHFFFAOYSA-N 1 0 294.311 1.058 20 5 CDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1NCC1C[NH+](C)C1 ZINC001170254554 1162326167 /nfs/dbraw/zinc/32/61/67/1162326167.db2.gz PUVJLKOXQAZDER-UHFFFAOYSA-N 1 0 294.311 1.058 20 5 CDBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C(N)=O ZINC001170294572 1162327823 /nfs/dbraw/zinc/32/78/23/1162327823.db2.gz BCONRWJGKJHJAH-CABZTGNLSA-N 1 0 295.339 1.388 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]CCOCCO)c([N+](=O)[O-])c1 ZINC001170299218 1162328481 /nfs/dbraw/zinc/32/84/81/1162328481.db2.gz SPIAPLNZWAWUBT-NSHDSACASA-N 1 0 298.339 1.133 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@H]([NH3+])[C@@H]2C)n1 ZINC001157731974 1162360505 /nfs/dbraw/zinc/36/05/05/1162360505.db2.gz HQHHCKHJGAFANG-XPUUQOCRSA-N 1 0 285.735 1.663 20 5 CDBDRO CCOc1nc(N2C[C@H](C)[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001158178502 1162760006 /nfs/dbraw/zinc/76/00/06/1162760006.db2.gz RIMDJIWDBMEVOT-UWVGGRQHSA-N 1 0 280.328 1.575 20 5 CDBDRO CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC001158201269 1162776466 /nfs/dbraw/zinc/77/64/66/1162776466.db2.gz WFBKRUSVXGDXRS-SECBINFHSA-N 1 0 295.299 1.476 20 5 CDBDRO COc1c(F)cc(-n2ccc(C[NH3+])cc2=N)cc1[N+](=O)[O-] ZINC001167689773 1159423729 /nfs/dbraw/zinc/42/37/29/1159423729.db2.gz LEIKDTOOIHKZFH-UHFFFAOYSA-N 1 0 292.270 1.471 20 5 CDBDRO C[C@H]1COC[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000699781525 1161171952 /nfs/dbraw/zinc/17/19/52/1161171952.db2.gz UBLXWMKLKPBZEE-KWQFWETISA-N 1 0 254.261 1.858 20 5 CDBDRO O=C1Nc2ccccc2C[C@@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967071 1161996380 /nfs/dbraw/zinc/99/63/80/1161996380.db2.gz NAAPHPUNNLIXHM-OSMZGAPFSA-N 1 0 289.335 1.585 20 5 CDBDRO O=[N+]([O-])c1cccc2c(N[C@H]3C[NH2+]C[C@@H]3CO)ccnc21 ZINC001170778989 1164112022 /nfs/dbraw/zinc/11/20/22/1164112022.db2.gz BGGBQBBYLYJSNA-SKDRFNHKSA-N 1 0 288.307 1.135 20 5 CDBDRO O=C(N[C@H]1C[NH+]2CCC1CC2)c1cc(F)ccc1[N+](=O)[O-] ZINC000037669480 1165783378 /nfs/dbraw/zinc/78/33/78/1165783378.db2.gz QYIGXAYERKKENS-LBPRGKRZSA-N 1 0 293.298 1.558 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)c(F)c1 ZINC001155618522 1167261177 /nfs/dbraw/zinc/26/11/77/1167261177.db2.gz MIGMCCHXAZPHOG-TVQRCGJNSA-N 1 0 296.302 1.452 20 5 CDBDRO CO[C@H]1C[NH2+][C@H](C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C1 ZINC001574009835 1170861290 /nfs/dbraw/zinc/86/12/90/1170861290.db2.gz DHULZFVLHSANPZ-NEPJUHHUSA-N 1 0 279.296 1.219 20 5 CDBDRO C[C@](CO)(NC[C@@]12C[C@@H]1C[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC001576035938 1171317778 /nfs/dbraw/zinc/31/77/78/1171317778.db2.gz FVCPTYUFKCVLGG-YUELXQCFSA-N 1 0 291.351 1.001 20 5 CDBDRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(c1c([N+](=O)[O-])cccc1[N+](=O)[O-])C2 ZINC001580169244 1172367570 /nfs/dbraw/zinc/36/75/70/1172367570.db2.gz DWPGXQOZJJYBSC-AEJSXWLSSA-N 1 0 292.295 1.819 20 5 CDBDRO [NH3+][C@H]1C[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC001580421963 1172429330 /nfs/dbraw/zinc/42/93/30/1172429330.db2.gz ZBCGVHBDIUIPEK-PHIMTYICSA-N 1 0 288.307 1.155 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)N(C[C@@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC001580875560 1172558748 /nfs/dbraw/zinc/55/87/48/1172558748.db2.gz MQHRCJKNRYWBJD-ZDUSSCGKSA-N 1 0 289.335 1.478 20 5 CDBDRO C[N@@H+]1CC[C@H](Nc2nc(Cl)ncc2[N+](=O)[O-])C1 ZINC000234327082 1178217111 /nfs/dbraw/zinc/21/71/11/1178217111.db2.gz VTZVAIKRGWHDGW-LURJTMIESA-N 1 0 257.681 1.154 20 5 CDBDRO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCC(F)(F)F ZINC001751974747 1184801640 /nfs/dbraw/zinc/80/16/40/1184801640.db2.gz JZIYYOGUGQYBLL-RKDXNWHRSA-N 1 0 297.277 1.042 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cc(NC[C@@H]2COCC[NH2+]2)n1 ZINC001159043138 1164013495 /nfs/dbraw/zinc/01/34/95/1164013495.db2.gz PCNMMFWNUUXSCZ-MRVPVSSYSA-N 1 0 272.692 1.044 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC[C@H]([NH+](C)C)C1 ZINC001165039622 721893122 /nfs/dbraw/zinc/89/31/22/721893122.db2.gz OQJZSCKFDODGKO-NSHDSACASA-N 1 0 280.328 1.067 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)n1 ZINC001155636307 1167272111 /nfs/dbraw/zinc/27/21/11/1167272111.db2.gz KLQGIEBYHJCGQV-FYBVGQRMSA-N 1 0 284.703 1.184 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001576607923 1167665751 /nfs/dbraw/zinc/66/57/51/1167665751.db2.gz LLVOSYBHMGBJQV-PSASIEDQSA-N 1 0 281.287 1.225 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001173219965 912301736 /nfs/dbraw/zinc/30/17/36/912301736.db2.gz ADSJXWGYIHOOQI-LERXQTSPSA-N 1 0 282.315 1.931 20 5 CDBDRO CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173229899 912321142 /nfs/dbraw/zinc/32/11/42/912321142.db2.gz BNYQIBIQZNHWQG-SMDDNHRTSA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCCO ZINC001173208712 912331694 /nfs/dbraw/zinc/33/16/94/912331694.db2.gz AXPKZVKMTYQYJI-LLVKDONJSA-N 1 0 252.314 1.888 20 5 CDBDRO CNC(=O)CC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173236133 912331730 /nfs/dbraw/zinc/33/17/30/912331730.db2.gz XJABJZWOWDKWCL-JTQLQIEISA-N 1 0 265.313 1.252 20 5 CDBDRO Cc1ccnc(-n2ccnc2[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001167057686 894081633 /nfs/dbraw/zinc/08/16/33/894081633.db2.gz VKTYMFGWGWMGGK-NSHDSACASA-N 1 0 287.323 1.951 20 5 CDBDRO C[N@@H+]1CC[C@H](Nc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001167272784 895017374 /nfs/dbraw/zinc/01/73/74/895017374.db2.gz DBRJAXPNQUYSHC-QMMMGPOBSA-N 1 0 291.286 1.793 20 5 CDBDRO [NH3+]Cc1cccn1-c1c(Cl)cncc1[N+](=O)[O-] ZINC001167593681 896952405 /nfs/dbraw/zinc/95/24/05/896952405.db2.gz ZCWCBYCBUAOJSZ-UHFFFAOYSA-N 1 0 252.661 1.893 20 5 CDBDRO COc1cccc(CO[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001217860548 897947082 /nfs/dbraw/zinc/94/70/82/897947082.db2.gz RDAKLDUHYUTYIR-LLVKDONJSA-N 1 0 266.297 1.872 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1cc([N+](=O)[O-])ccc1Cl ZINC001167690840 898220019 /nfs/dbraw/zinc/22/00/19/898220019.db2.gz VIBFXMUNFDSLRZ-UHFFFAOYSA-N 1 0 278.699 1.977 20 5 CDBDRO C[C@@H]1COC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000699772562 914243899 /nfs/dbraw/zinc/24/38/99/914243899.db2.gz DOFRFDCEMHLFPR-LDYMZIIASA-N 1 0 254.261 1.858 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1cccc([N+](=O)[O-])c1 ZINC001222769548 900443034 /nfs/dbraw/zinc/44/30/34/900443034.db2.gz VMXUMCZREKSLCI-CYBMUJFWSA-N 1 0 297.331 1.095 20 5 CDBDRO Cc1cc(NC(=N)SCC[NH3+])ncc1[N+](=O)[O-] ZINC001167915025 902176780 /nfs/dbraw/zinc/17/67/80/902176780.db2.gz PNOGAKOUAHKBKQ-UHFFFAOYSA-N 1 0 255.303 1.337 20 5 CDBDRO C[NH+]1CCC(Oc2ncc([N+](=O)[O-])c3nc[nH]c32)CC1 ZINC001227692991 906427981 /nfs/dbraw/zinc/42/79/81/906427981.db2.gz IFRXBKHPIAJFKT-UHFFFAOYSA-N 1 0 277.284 1.339 20 5 CDBDRO [NH3+]Cc1cnn(-c2ccc3nc[nH]c3c2[N+](=O)[O-])c1 ZINC001168259956 908011264 /nfs/dbraw/zinc/01/12/64/908011264.db2.gz VCRKXQYUIRSCEJ-UHFFFAOYSA-N 1 0 258.241 1.116 20 5 CDBDRO [NH3+]Cc1cnn(-c2cc([N+](=O)[O-])cc(Br)n2)c1 ZINC001168262549 908033285 /nfs/dbraw/zinc/03/32/85/908033285.db2.gz UTKMYBVPBFZNMH-UHFFFAOYSA-N 1 0 298.100 1.397 20 5 CDBDRO CCC1(Nc2nc(OC)ccc2[N+](=O)[O-])C[NH2+]C1 ZINC001168574966 919236042 /nfs/dbraw/zinc/23/60/42/919236042.db2.gz JQOVIVJNYCSRKI-UHFFFAOYSA-N 1 0 252.274 1.162 20 5 CDBDRO C[C@H](CCO)Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001165903862 925041611 /nfs/dbraw/zinc/04/16/11/925041611.db2.gz CAXHSDOOBXSNMN-MRVPVSSYSA-N 1 0 251.286 1.381 20 5 CDBDRO CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001086287433 926946944 /nfs/dbraw/zinc/94/69/44/926946944.db2.gz BBLQQHRCKGUFDJ-JOCQHMNTSA-N 1 0 277.324 1.599 20 5 CDBDRO [NH3+]CCN(CCO)c1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001155949816 927213398 /nfs/dbraw/zinc/21/33/98/927213398.db2.gz YCJNUPDKMVNRTC-UHFFFAOYSA-N 1 0 295.126 1.054 20 5 CDBDRO [NH3+]CCc1cnn(-c2nccc3c2cccc3[N+](=O)[O-])c1 ZINC001168948321 927554488 /nfs/dbraw/zinc/55/44/88/927554488.db2.gz MHJUELZSJAJILA-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)nn1 ZINC001168976601 927562927 /nfs/dbraw/zinc/56/29/27/927562927.db2.gz DTFSFHGRVSCLEP-VHSXEESVSA-N 1 0 266.301 1.020 20 5 CDBDRO [NH3+]CCN(c1ccccn1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977682 927563524 /nfs/dbraw/zinc/56/35/24/927563524.db2.gz LFCLKYDZFOGFQT-RYUDHWBXSA-N 1 0 264.329 1.292 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2cccc(O)c2)C1 ZINC001168978228 927564835 /nfs/dbraw/zinc/56/48/35/927564835.db2.gz QBADOVPVOOFNCR-SCDSUCTJSA-N 1 0 280.324 1.461 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc3ccnn32)C1 ZINC001168984640 927573122 /nfs/dbraw/zinc/57/31/22/927573122.db2.gz PIVRFAKUAOEMHK-RYUDHWBXSA-N 1 0 274.324 1.869 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CN3CCC2CC3)C1 ZINC001168963904 927586158 /nfs/dbraw/zinc/58/61/58/927586158.db2.gz QMTUTVQQCOPWPU-RTXFEEFZSA-N 1 0 253.346 1.116 20 5 CDBDRO O=C(C1CC1)N1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168966070 927588871 /nfs/dbraw/zinc/58/88/71/927588871.db2.gz GAWVUICMVJDGDO-FZMZJTMJSA-N 1 0 295.383 1.422 20 5 CDBDRO CCOC(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)OCC ZINC001168965328 927589116 /nfs/dbraw/zinc/58/91/16/927589116.db2.gz ZTNIRIFRWAKAKY-WDEREUQCSA-N 1 0 260.334 1.421 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCCCO2)C1 ZINC001168968353 927592473 /nfs/dbraw/zinc/59/24/73/927592473.db2.gz XXWQKIJFQIFIEH-AGIUHOORSA-N 1 0 256.346 1.981 20 5 CDBDRO N=c1cc(C[NH3+])ccn1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968890 927592508 /nfs/dbraw/zinc/59/25/08/927592508.db2.gz ASWCKWGVECCEDH-MNOVXSKESA-N 1 0 250.302 1.044 20 5 CDBDRO CC(C)Oc1cc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)ncn1 ZINC001168997540 927602534 /nfs/dbraw/zinc/60/25/34/927602534.db2.gz DBXHRZMEFBHRAI-VXGBXAGGSA-N 1 0 294.355 1.799 20 5 CDBDRO O=C(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(O)cc1 ZINC001169002319 927606446 /nfs/dbraw/zinc/60/64/46/927606446.db2.gz KQQBQXFWKUCSPO-PWSUYJOCSA-N 1 0 278.308 1.610 20 5 CDBDRO CC(=O)OCN1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169004962 927608783 /nfs/dbraw/zinc/60/87/83/927608783.db2.gz SUSFDQSHBATUTJ-JSGCOSHPSA-N 1 0 299.371 1.006 20 5 CDBDRO CO[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169006242 927609160 /nfs/dbraw/zinc/60/91/60/927609160.db2.gz WWLISIHMSXSGQB-LOWDOPEQSA-N 1 0 256.346 1.979 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(C3CCC3)CC2)C1 ZINC001169007710 927612174 /nfs/dbraw/zinc/61/21/74/927612174.db2.gz PTSKTVDJNQGVBS-TZMCWYRMSA-N 1 0 267.373 1.602 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cnn3ccccc23)C1 ZINC001169008674 927614603 /nfs/dbraw/zinc/61/46/03/927614603.db2.gz TVINTHRVPQDLSN-AAEUAGOBSA-N 1 0 274.324 1.869 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@](O)(CF)CC2)C1 ZINC001169011282 927617657 /nfs/dbraw/zinc/61/76/57/927617657.db2.gz JDXHNNDRLNPRTD-UPJWGTAASA-N 1 0 274.336 1.618 20 5 CDBDRO O=C1COC2(C1)CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169014042 927620601 /nfs/dbraw/zinc/62/06/01/927620601.db2.gz YJMSWEUFOBZXEF-NEPJUHHUSA-N 1 0 282.340 1.256 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(CO)CCSCC2)C1 ZINC001168988419 927624932 /nfs/dbraw/zinc/62/49/32/927624932.db2.gz SAQCPHGRDTVVMA-MNOVXSKESA-N 1 0 274.386 1.280 20 5 CDBDRO COc1cccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168990240 927629717 /nfs/dbraw/zinc/62/97/17/927629717.db2.gz YYHRBXCDJPDRGR-MNOVXSKESA-N 1 0 265.313 1.625 20 5 CDBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169027000 927633247 /nfs/dbraw/zinc/63/32/47/927633247.db2.gz OQXIVCUSIMZBSI-JHJVBQTASA-N 1 0 283.372 1.232 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[NH+](C3CCCC3)CC2)C1 ZINC001169028373 927633337 /nfs/dbraw/zinc/63/33/37/927633337.db2.gz RWDAKZXGZCZNDM-HIFRSBDPSA-N 1 0 281.400 1.992 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(c3cccnn3)CC2)C1 ZINC001169033983 927641597 /nfs/dbraw/zinc/64/15/97/927641597.db2.gz DWLSSBNPWUHVIP-OLZOCXBDSA-N 1 0 291.355 1.044 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCc3ccncc3C2)C1 ZINC001169037990 927647471 /nfs/dbraw/zinc/64/74/71/927647471.db2.gz UUOUXVYFWJIMBA-RISCZKNCSA-N 1 0 261.325 1.885 20 5 CDBDRO COC(=O)[C@H](C(C)C)[N@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039976 927653327 /nfs/dbraw/zinc/65/33/27/927653327.db2.gz WNDWBEHPVZIBLT-UTUOFQBUSA-N 1 0 272.345 1.561 20 5 CDBDRO CN(C1CC1)[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169044516 927657858 /nfs/dbraw/zinc/65/78/58/927657858.db2.gz HZNRPXLGRSYUFJ-FPMFFAJLSA-N 1 0 267.373 1.600 20 5 CDBDRO CC(C)N(C)[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169047013 927666409 /nfs/dbraw/zinc/66/64/09/927666409.db2.gz PPHXOYRABKPQQF-BFHYXJOUSA-N 1 0 269.389 1.846 20 5 CDBDRO [NH3+]Cc1ccn(-c2cnc(Cl)cc2[N+](=O)[O-])c1 ZINC001169723349 928381289 /nfs/dbraw/zinc/38/12/89/928381289.db2.gz PXTWTWJCANNHOX-UHFFFAOYSA-N 1 0 252.661 1.893 20 5 CDBDRO CO[C@@H](C)CNc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001169776658 928405682 /nfs/dbraw/zinc/40/56/82/928405682.db2.gz DYXZAECNUYNOJK-NSHDSACASA-N 1 0 297.355 1.982 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001156377040 928438164 /nfs/dbraw/zinc/43/81/64/928438164.db2.gz XYKFAWXDLGUFIF-BXUZGUMPSA-N 1 0 276.340 1.686 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1-n1cccc1C[NH3+] ZINC001156724112 928947813 /nfs/dbraw/zinc/94/78/13/928947813.db2.gz XEKCLSLGTCPHDL-UHFFFAOYSA-N 1 0 276.252 1.026 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N(C)C(C)(C)C[NH3+] ZINC001170052153 929188535 /nfs/dbraw/zinc/18/85/35/929188535.db2.gz ISTXILLRVURDNN-UHFFFAOYSA-N 1 0 254.290 1.172 20 5 CDBDRO C[C@@H]1C[C@@H](CO)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000817277301 930481503 /nfs/dbraw/zinc/48/15/03/930481503.db2.gz HKNSPBQKAWUCNX-JMSVASOKSA-N 1 0 294.351 1.579 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC001154986275 937616815 /nfs/dbraw/zinc/61/68/15/937616815.db2.gz QWLCUGOAKYCUJL-DTWKUNHWSA-N 1 0 281.316 1.384 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](Nc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C1 ZINC001154986066 937617070 /nfs/dbraw/zinc/61/70/70/937617070.db2.gz QVROCZZWVASYAL-YUMQZZPRSA-N 1 0 286.719 1.563 20 5 CDBDRO Cc1c(F)cnc(NC[C@@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC001171327556 932681139 /nfs/dbraw/zinc/68/11/39/932681139.db2.gz GKGSJCPZDNWEQA-VIFPVBQESA-N 1 0 268.292 1.991 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC[C@H]1CCC[NH2+]C[C@@H]1C ZINC001155034997 937624189 /nfs/dbraw/zinc/62/41/89/937624189.db2.gz ZVJPWEPXTZCADP-CMPLNLGQSA-N 1 0 294.355 1.584 20 5 CDBDRO O=[N+]([O-])c1ccc2ncc(NC[C@@H]3C[C@H](F)C[NH2+]3)nc2c1 ZINC001155028610 937623441 /nfs/dbraw/zinc/62/34/41/937623441.db2.gz DLECWLUUCAWRNE-IUCAKERBSA-N 1 0 291.286 1.650 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(NC[C@@]2(F)CCCC[NH2+]C2)n1 ZINC001155116417 937637150 /nfs/dbraw/zinc/63/71/50/937637150.db2.gz JBDAKZFSCOGKMS-GFCCVEGCSA-N 1 0 283.307 1.587 20 5 CDBDRO C[C@@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC001120632854 937820139 /nfs/dbraw/zinc/82/01/39/937820139.db2.gz FHGQLPLGRSQZQZ-KMLBCRHOSA-N 1 0 290.323 1.173 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001122304020 937920006 /nfs/dbraw/zinc/92/00/06/937920006.db2.gz DKYADPLVYULYSW-NWDGAFQWSA-N 1 0 275.308 1.276 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]CC1)c1c(F)cccc1[N+](=O)[O-] ZINC001122581163 937943370 /nfs/dbraw/zinc/94/33/70/937943370.db2.gz DGAFOPOQVMKMME-SNVBAGLBSA-N 1 0 295.314 1.853 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1ncc(Cl)cc1[N+](=O)[O-] ZINC001156038928 938312871 /nfs/dbraw/zinc/31/28/71/938312871.db2.gz ZNFQCFFUWAPZFN-UHFFFAOYSA-N 1 0 267.676 1.596 20 5 CDBDRO C[N@@H+]1CC[C@H](Nc2cnc3cc([N+](=O)[O-])ccc3n2)C1 ZINC001156580538 938388346 /nfs/dbraw/zinc/38/83/46/938388346.db2.gz NKVJXGLMZOVPJI-VIFPVBQESA-N 1 0 273.296 1.654 20 5 CDBDRO COc1cnc(N[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001156580571 938388858 /nfs/dbraw/zinc/38/88/58/938388858.db2.gz PBJPFQDYSJTVAX-QMMMGPOBSA-N 1 0 252.274 1.114 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1nc(C[NH3+])c2ccccc21 ZINC001156860599 938426769 /nfs/dbraw/zinc/42/67/69/938426769.db2.gz OSJUJWGKRBDCSG-UHFFFAOYSA-N 1 0 299.290 1.334 20 5 CDBDRO CCOc1nc(-n2ccc(CC[NH3+])n2)ccc1[N+](=O)[O-] ZINC001156898634 938431501 /nfs/dbraw/zinc/43/15/01/938431501.db2.gz UYPNERRPSIZTFZ-UHFFFAOYSA-N 1 0 277.284 1.075 20 5 CDBDRO CC(C)[N@H+](C)[C@@H]1CCN(c2cc([N+](=O)[O-])ccn2)C1 ZINC001157002061 938444999 /nfs/dbraw/zinc/44/49/99/938444999.db2.gz SSZMXUFCGHEXNW-GFCCVEGCSA-N 1 0 264.329 1.909 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)nc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001157446156 938493006 /nfs/dbraw/zinc/49/30/06/938493006.db2.gz VXHDZIVRYGUHEO-RITPCOANSA-N 1 0 275.671 1.150 20 5 CDBDRO Cc1nc(N[C@@H]2CCCN(C3COC3)C2)ccc1[N+](=O)[O-] ZINC001157580711 938514715 /nfs/dbraw/zinc/51/47/15/938514715.db2.gz FDNBVALEKNWABS-LLVKDONJSA-N 1 0 292.339 1.573 20 5 CDBDRO C[C@@H]1[C@@H]([NH3+])CCCN1c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001157733181 938537817 /nfs/dbraw/zinc/53/78/17/938537817.db2.gz NNHRIIJAVWJSED-KOLCDFICSA-N 1 0 287.323 1.854 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCCN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC001157747746 938539910 /nfs/dbraw/zinc/53/99/10/938539910.db2.gz RHHFSYPDADEVHR-UWVGGRQHSA-N 1 0 287.323 1.854 20 5 CDBDRO O=C(NCCC[NH2+]CC=C(Cl)Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157766885 938543131 /nfs/dbraw/zinc/54/31/31/938543131.db2.gz BDDSDSBGTIYNIX-HTQZYQBOSA-N 1 0 296.154 1.067 20 5 CDBDRO CCCCCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775628 938544381 /nfs/dbraw/zinc/54/43/81/938544381.db2.gz SMZFCYOHOYOETI-VXGBXAGGSA-N 1 0 271.361 1.328 20 5 CDBDRO O=[N+]([O-])c1cnc(NC(C2CC2)C2CC2)nc1C1C[NH2+]C1 ZINC001157926495 938564346 /nfs/dbraw/zinc/56/43/46/938564346.db2.gz JJBMUPWPWACDIM-UHFFFAOYSA-N 1 0 289.339 1.672 20 5 CDBDRO CC(C)N(c1ccc([N+](=O)[O-])c(N)n1)[C@@H]1CC[NH2+]C1 ZINC001158025139 938575999 /nfs/dbraw/zinc/57/59/99/938575999.db2.gz FOSCDFYPUOPNMI-SECBINFHSA-N 1 0 265.317 1.149 20 5 CDBDRO COc1nc(N2C[C@H](C)[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001158174987 938590326 /nfs/dbraw/zinc/59/03/26/938590326.db2.gz ALFCLCAOXCTHSU-IUCAKERBSA-N 1 0 266.301 1.185 20 5 CDBDRO C[NH+](C)CCC(C)(C)Nc1ccc([N+](=O)[O-])c(N)n1 ZINC001158760601 938660537 /nfs/dbraw/zinc/66/05/37/938660537.db2.gz DZLBNOYXOIQXLB-UHFFFAOYSA-N 1 0 267.333 1.714 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(N3CC4(C3)CCC[NH2+]C4)c2c1 ZINC001159019204 938691408 /nfs/dbraw/zinc/69/14/08/938691408.db2.gz DVKSQRGHXYDWBT-UHFFFAOYSA-N 1 0 299.334 1.728 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)nc(NC[C@H]2COCC[NH2+]2)c1 ZINC001159036360 938694451 /nfs/dbraw/zinc/69/44/51/938694451.db2.gz LSXMJUXAAKHMJL-ZETCQYMHSA-N 1 0 272.692 1.044 20 5 CDBDRO C[C@@H](Nc1cc([N+](=O)[O-])c2cc[nH]c2n1)[C@@H]1C[NH2+]CCO1 ZINC001159496743 938733736 /nfs/dbraw/zinc/73/37/36/938733736.db2.gz FLUKAMYZFUWCLT-KCJUWKMLSA-N 1 0 291.311 1.260 20 5 CDBDRO CN(C)/C=C/c1cc(NC/C=C/C[NH3+])ncc1[N+](=O)[O-] ZINC001160983022 938854385 /nfs/dbraw/zinc/85/43/85/938854385.db2.gz OQSOJSVSOTXHCU-SALQQRKASA-N 1 0 277.328 1.449 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](Nc2cnc(F)c([N+](=O)[O-])c2)C1 ZINC001162400983 939045151 /nfs/dbraw/zinc/04/51/51/939045151.db2.gz JWUYZPALKZAOLZ-HTQZYQBOSA-N 1 0 254.265 1.811 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3c2CNC3=O)C1 ZINC001162403019 939045834 /nfs/dbraw/zinc/04/58/34/939045834.db2.gz BNSQPRKPPXWJQT-DTWKUNHWSA-N 1 0 290.323 1.520 20 5 CDBDRO CC(C)(C)c1cnc(-n2nccc2C[NH3+])c([N+](=O)[O-])c1 ZINC001162591385 939096393 /nfs/dbraw/zinc/09/63/93/939096393.db2.gz QYLIQBYCEKXSIR-UHFFFAOYSA-N 1 0 275.312 1.932 20 5 CDBDRO [NH3+]Cc1ccnn1-c1ncnc2sc([N+](=O)[O-])cc21 ZINC001162592504 939097889 /nfs/dbraw/zinc/09/78/89/939097889.db2.gz HLDYWTDRFMBRFO-UHFFFAOYSA-N 1 0 276.281 1.244 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001162676830 939113076 /nfs/dbraw/zinc/11/30/76/939113076.db2.gz XRBOROGICVUEMF-HTQZYQBOSA-N 1 0 261.285 1.633 20 5 CDBDRO Cc1nc(N(C(C)C)C(C)(C)C[NH3+])ncc1[N+](=O)[O-] ZINC001163188793 939221900 /nfs/dbraw/zinc/22/19/00/939221900.db2.gz FYPVDBYSNHIUBZ-UHFFFAOYSA-N 1 0 267.333 1.645 20 5 CDBDRO COc1nc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)nc(C)c1[N+](=O)[O-] ZINC001163261192 939234622 /nfs/dbraw/zinc/23/46/22/939234622.db2.gz JELQMAINNQBMST-UTLUCORTSA-N 1 0 293.327 1.112 20 5 CDBDRO CCOc1cnc(N[C@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001163386485 939259915 /nfs/dbraw/zinc/25/99/15/939259915.db2.gz UDFWKUKQIGBGHS-LBPRGKRZSA-N 1 0 292.339 1.895 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1cnc(F)c([N+](=O)[O-])c1 ZINC001163986172 939373379 /nfs/dbraw/zinc/37/33/79/939373379.db2.gz WQBQDPKMXNZEJG-UHFFFAOYSA-N 1 0 251.221 1.082 20 5 CDBDRO Cc1nc(N2C[C@@H](C[NH3+])CC[C@H]2C)ncc1[N+](=O)[O-] ZINC001164473522 939477125 /nfs/dbraw/zinc/47/71/25/939477125.db2.gz HKDAPHNGZIVDJA-PSASIEDQSA-N 1 0 265.317 1.257 20 5 CDBDRO COc1ncnc(N2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001165091747 939508723 /nfs/dbraw/zinc/50/87/23/939508723.db2.gz ZYJWAKIGSVCEKJ-UHFFFAOYSA-N 1 0 295.343 1.314 20 5 CDBDRO Cc1cnc(N2CC(C)([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001165116499 939511438 /nfs/dbraw/zinc/51/14/38/939511438.db2.gz DZGBZXHATSZQSY-UHFFFAOYSA-N 1 0 250.302 1.439 20 5 CDBDRO C[N@H+](C1CN(c2ncc([N+](=O)[O-])cc2F)C1)[C@@H]1CCOC1 ZINC001165204239 939524076 /nfs/dbraw/zinc/52/40/76/939524076.db2.gz XKMRLGHSVULUPF-SECBINFHSA-N 1 0 296.302 1.038 20 5 CDBDRO [NH3+][C@H]1[C@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@@H]12 ZINC001165385550 939555054 /nfs/dbraw/zinc/55/50/54/939555054.db2.gz QCSYWOAWCURNDY-CLLJXQQHSA-N 1 0 270.292 1.536 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001165387376 939556388 /nfs/dbraw/zinc/55/63/88/939556388.db2.gz MEVYOOYDSFTZOD-WPRPVWTQSA-N 1 0 268.704 1.584 20 5 CDBDRO [NH3+]C1([C@H]2CN(c3cccc([N+](=O)[O-])n3)C[C@@H]2CF)CC1 ZINC001165428785 939563580 /nfs/dbraw/zinc/56/35/80/939563580.db2.gz GIDORSRUDZIMMG-UWVGGRQHSA-N 1 0 280.303 1.503 20 5 CDBDRO CN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])C1C[NH2+]C1 ZINC001166978618 939666011 /nfs/dbraw/zinc/66/60/11/939666011.db2.gz VQWCVURJQRHHTH-UHFFFAOYSA-N 1 0 278.099 1.100 20 5 CDBDRO Nc1ccc(Nc2cc[nH+]c(CO)c2)cc1[N+](=O)[O-] ZINC001209935090 940652674 /nfs/dbraw/zinc/65/26/74/940652674.db2.gz QBAZJHGOKPEJBH-UHFFFAOYSA-N 1 0 260.253 1.808 20 5 CDBDRO O=[N+]([O-])c1cc(CO[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC001217856563 941024475 /nfs/dbraw/zinc/02/44/75/941024475.db2.gz MIWSYMWUJJJVPX-GFCCVEGCSA-N 1 0 281.268 1.772 20 5 CDBDRO Nc1ccc(O[C@H]2CCC[NH2+]C[C@@H]2F)cc1[N+](=O)[O-] ZINC001217951100 941031500 /nfs/dbraw/zinc/03/15/00/941031500.db2.gz OKRYKGQSGUKBGF-CABZTGNLSA-N 1 0 269.276 1.646 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Cl)cc1CNN ZINC001218355437 941209154 /nfs/dbraw/zinc/20/91/54/941209154.db2.gz JNGVRZIMLJZDTL-SNVBAGLBSA-N 1 0 272.800 1.777 20 5 CDBDRO C[C@@H]1CC[C@@H](Oc2ccc(N)c([N+](=O)[O-])c2)C[NH2+]1 ZINC001218407306 941213480 /nfs/dbraw/zinc/21/34/80/941213480.db2.gz LTKCXAZMUGGUFT-PSASIEDQSA-N 1 0 251.286 1.696 20 5 CDBDRO [NH3+]CCc1nccn1-c1c(Cl)cncc1[N+](=O)[O-] ZINC000310771263 941308047 /nfs/dbraw/zinc/30/80/47/941308047.db2.gz UAYUDHCVHUSOLN-UHFFFAOYSA-N 1 0 267.676 1.330 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCc1cc(=O)n2ccccc2n1 ZINC001224260700 941735666 /nfs/dbraw/zinc/73/56/66/941735666.db2.gz DBMGAWDADMSDES-LBPRGKRZSA-N 1 0 276.360 1.306 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(c1)OCC2=O ZINC001225340044 941845682 /nfs/dbraw/zinc/84/56/82/941845682.db2.gz AQFWIVKABMXTIW-SNVBAGLBSA-N 1 0 250.318 1.735 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cn2)C1 ZINC001225633542 941892473 /nfs/dbraw/zinc/89/24/73/941892473.db2.gz QCHAYYXPJUEVOX-LLVKDONJSA-N 1 0 251.286 1.853 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001225916883 941928854 /nfs/dbraw/zinc/92/88/54/941928854.db2.gz XFIKJXINJATNKD-LLVKDONJSA-N 1 0 284.287 1.833 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(F)c(F)c1F ZINC001225951691 941933056 /nfs/dbraw/zinc/93/30/56/941933056.db2.gz PZLZKPOIFOAWHG-MRVPVSSYSA-N 1 0 292.277 1.467 20 5 CDBDRO C[C@H](C[NH+](C)C)Oc1ncc([N+](=O)[O-])cc1Cl ZINC001226255930 941976766 /nfs/dbraw/zinc/97/67/66/941976766.db2.gz QEZLMSPLCYYRLC-SSDOTTSWSA-N 1 0 259.693 1.972 20 5 CDBDRO CN1[C@@H]2C[C@H](Oc3ncc(F)cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001226752252 942063124 /nfs/dbraw/zinc/06/31/24/942063124.db2.gz ZBCAXCGERBQAFU-XRNSZHNASA-N 1 0 295.270 1.312 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227462638 942179129 /nfs/dbraw/zinc/17/91/29/942179129.db2.gz HGKJKDGRCPZMTJ-SNVBAGLBSA-N 1 0 281.268 1.976 20 5 CDBDRO COc1cc(/C=C/C(N)=O)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001229497167 942481935 /nfs/dbraw/zinc/48/19/35/942481935.db2.gz KUKSIJPFKMCPFN-CRALRDPISA-O 1 0 293.387 1.667 20 5 CDBDRO C[NH+]1CCC(Oc2cccc([N+](=O)[O-])c2[N+](=O)[O-])CC1 ZINC001233573002 943619852 /nfs/dbraw/zinc/61/98/52/943619852.db2.gz KGSOGHUBRPTOQM-UHFFFAOYSA-N 1 0 281.268 1.976 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(S(C)(=O)=O)c1 ZINC001234543408 943887673 /nfs/dbraw/zinc/88/76/73/943887673.db2.gz HZBLYWYFBNFPQH-NSHDSACASA-N 1 0 272.390 1.564 20 5 CDBDRO CC(C)(CO)[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC001262480347 946676410 /nfs/dbraw/zinc/67/64/10/946676410.db2.gz HQURZAAWLQOHAQ-LBPRGKRZSA-N 1 0 252.314 1.613 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3COC3)CC2)cc1 ZINC001254465282 947451973 /nfs/dbraw/zinc/45/19/73/947451973.db2.gz XCYKFJFHGGTJGK-UHFFFAOYSA-N 1 0 277.324 1.552 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1cc(C[NH3+])cnc1=N ZINC001254543767 947517759 /nfs/dbraw/zinc/51/77/59/947517759.db2.gz GYHPIQOFBMLFRD-JTQLQIEISA-N 1 0 287.323 1.533 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CNC(=O)O1 ZINC001254550493 947522258 /nfs/dbraw/zinc/52/22/58/947522258.db2.gz KTESMWWOHUTPIA-KOLCDFICSA-N 1 0 279.296 1.224 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCOC[C@H](O)C1 ZINC001254552405 947523046 /nfs/dbraw/zinc/52/30/46/947523046.db2.gz LHLWOYVOVHBEKV-WCQYABFASA-N 1 0 280.324 1.219 20 5 CDBDRO [NH3+]CCN(c1ncccn1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572150 947529780 /nfs/dbraw/zinc/52/97/80/947529780.db2.gz IKZZGNICAMJATR-CQSZACIVSA-N 1 0 299.334 1.317 20 5 CDBDRO Cn1cncc1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254568835 947531325 /nfs/dbraw/zinc/53/13/25/947531325.db2.gz UXGJCBRZBMHUSG-GFCCVEGCSA-N 1 0 272.308 1.585 20 5 CDBDRO C[C@H](C[NH3+])C[N@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580594 947536850 /nfs/dbraw/zinc/53/68/50/947536850.db2.gz GSQRRCKAEQSGNH-QMTHXVAHSA-N 1 0 263.341 1.589 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)C2 ZINC001254579113 947538423 /nfs/dbraw/zinc/53/84/23/947538423.db2.gz PRYNXRFWKTUPJT-ONGXEEELSA-N 1 0 290.241 1.575 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H](CO)C1CC1)C2 ZINC001254581199 947538549 /nfs/dbraw/zinc/53/85/49/947538549.db2.gz MEVZDIZUZYBEKY-OCCSQVGLSA-N 1 0 262.309 1.423 20 5 CDBDRO [NH3+]Cc1ccn([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254584432 947540625 /nfs/dbraw/zinc/54/06/25/947540625.db2.gz SFHDRHJNPCIFBR-ZDUSSCGKSA-N 1 0 258.281 1.590 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[C@H]1CO)C2 ZINC001254589809 947544032 /nfs/dbraw/zinc/54/40/32/947544032.db2.gz RGAKOBGYQBXXIR-LNSITVRQSA-N 1 0 276.336 1.813 20 5 CDBDRO C[C@H]1C[C@@H](CO)[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254595896 947545325 /nfs/dbraw/zinc/54/53/25/947545325.db2.gz ADLWHENTVOMKPE-LKTVYLICSA-N 1 0 276.336 1.765 20 5 CDBDRO NC(=O)[C@H]1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254600863 947551131 /nfs/dbraw/zinc/55/11/31/947551131.db2.gz WLFRNJMHQXJRLS-FZMZJTMJSA-N 1 0 289.335 1.259 20 5 CDBDRO C[N@H+](CC1COC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603627 947553237 /nfs/dbraw/zinc/55/32/37/947553237.db2.gz OXZFSILLLJSJDA-AWEZNQCLSA-N 1 0 262.309 1.640 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@H]([NH3+])C[C@H](F)C1 ZINC001246587865 948318486 /nfs/dbraw/zinc/31/84/86/948318486.db2.gz VRDJBOIWDZLJCR-KGYLQXTDSA-N 1 0 281.331 1.897 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246864140 948489997 /nfs/dbraw/zinc/48/99/97/948489997.db2.gz SZSLMPXLOQXPDJ-ZLDLUXBVSA-N 1 0 275.352 1.949 20 5 CDBDRO CC(C)[NH2+]Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247461440 948641453 /nfs/dbraw/zinc/64/14/53/948641453.db2.gz NKZAMEMBGHOREV-UHFFFAOYSA-N 1 0 281.247 1.677 20 5 CDBDRO C[NH+](C)Cc1ccc2[nH]c(-c3[nH]cnc3[N+](=O)[O-])nc2c1 ZINC001251168753 950647746 /nfs/dbraw/zinc/64/77/46/950647746.db2.gz RCNZSUKULOHYAF-UHFFFAOYSA-N 1 0 286.295 1.923 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC001324547588 953435001 /nfs/dbraw/zinc/43/50/01/953435001.db2.gz ABAAAIBLIUNWPW-NSHDSACASA-N 1 0 271.361 1.375 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326810082 954563372 /nfs/dbraw/zinc/56/33/72/954563372.db2.gz JNZGMMNFQFKAID-UWVGGRQHSA-N 1 0 292.339 1.746 20 5 CDBDRO Cc1nc(N[C@@H]2CC[N@H+](CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001327983094 955146931 /nfs/dbraw/zinc/14/69/31/955146931.db2.gz NQDIRJBDMBJVNG-LLVKDONJSA-N 1 0 277.328 1.589 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC001329299703 955808189 /nfs/dbraw/zinc/80/81/89/955808189.db2.gz NBUAEZXWQAXDPV-SNVBAGLBSA-N 1 0 292.339 1.318 20 5 CDBDRO O=C(CC[NH2+]CCCF)Nc1ccccc1[N+](=O)[O-] ZINC001336784358 955981790 /nfs/dbraw/zinc/98/17/90/955981790.db2.gz PQYSQZSYPRSLAE-UHFFFAOYSA-N 1 0 269.276 1.873 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001333632504 958467732 /nfs/dbraw/zinc/46/77/32/958467732.db2.gz YVGLOGJJDPYPMR-SNVBAGLBSA-N 1 0 279.340 1.939 20 5 CDBDRO CC[NH+](CC)CCCNc1cc(N)c([N+](=O)[O-])cn1 ZINC001336436483 960347938 /nfs/dbraw/zinc/34/79/38/960347938.db2.gz CZNXUVDSCIRLHP-UHFFFAOYSA-N 1 0 267.333 1.716 20 5 CDBDRO C[C@@H](NC(=O)NCC1C[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001336894493 960714093 /nfs/dbraw/zinc/71/40/93/960714093.db2.gz RZKMKSFIXDAXFH-SECBINFHSA-N 1 0 278.312 1.174 20 5 CDBDRO CC[NH+]1CCC(Nc2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001337763067 961410530 /nfs/dbraw/zinc/41/05/30/961410530.db2.gz COMMWBDOZAZHQH-UHFFFAOYSA-N 1 0 265.317 1.468 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC001338293350 961732075 /nfs/dbraw/zinc/73/20/75/961732075.db2.gz HFKAODFAXDMVAJ-SNVBAGLBSA-N 1 0 283.353 1.870 20 5 CDBDRO CC(C)[C@@H](CN(C)C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001338549268 961876115 /nfs/dbraw/zinc/87/61/15/961876115.db2.gz FXBBQTNGUJLAFM-HUUCEWRRSA-N 1 0 295.383 1.804 20 5 CDBDRO Cc1cccc(C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)c1[N+](=O)[O-] ZINC001341023954 963240855 /nfs/dbraw/zinc/24/08/55/963240855.db2.gz COUNKNGHGZWUHT-VXGBXAGGSA-N 1 0 291.351 1.879 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001342519941 963757159 /nfs/dbraw/zinc/75/71/59/963757159.db2.gz WOPWBZYXZAJAPZ-GUBZILKMSA-N 1 0 265.313 1.755 20 5 CDBDRO C[C@]1(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC001344092502 964231806 /nfs/dbraw/zinc/23/18/06/964231806.db2.gz LHMIRBZELCAVDP-GUTXKFCHSA-N 1 0 289.335 1.567 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1C[NH2+]CC12CC2 ZINC001346463004 965124300 /nfs/dbraw/zinc/12/43/00/965124300.db2.gz WCEBKVJSJWUUJC-LBPRGKRZSA-N 1 0 275.308 1.006 20 5 CDBDRO COCc1cc([N+](=O)[O-])ccc1N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001347822903 965712830 /nfs/dbraw/zinc/71/28/30/965712830.db2.gz XDTKDJBKSDVSMT-PHIMTYICSA-N 1 0 279.340 1.928 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001521844260 970365019 /nfs/dbraw/zinc/36/50/19/970365019.db2.gz OQEDEQHJANYIFL-SNVBAGLBSA-N 1 0 280.328 1.195 20 5 CDBDRO COc1cc(O[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000090439247 1174165882 /nfs/dbraw/zinc/16/58/82/1174165882.db2.gz AKEHSWKPZSJISC-JTQLQIEISA-N 1 0 252.270 1.734 20 5 CDBDRO CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)C1CCC([NH3+])CC1 ZINC000091845275 1174327659 /nfs/dbraw/zinc/32/76/59/1174327659.db2.gz IIGXHIIUMCINLY-UHFFFAOYSA-N 1 0 266.301 1.265 20 5 CDBDRO C[C@@H](OC(=O)[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC001573590855 1170701961 /nfs/dbraw/zinc/70/19/61/1170701961.db2.gz YCSASZOEOPTGRE-SKDRFNHKSA-N 1 0 264.281 1.951 20 5 CDBDRO CC(C)OC[C@H]([NH3+])C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001575790654 1171272935 /nfs/dbraw/zinc/27/29/35/1171272935.db2.gz CQXAMROKUHEOAU-MFKMUULPSA-N 1 0 295.339 1.524 20 5 CDBDRO C[NH2+]CCN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])C(C)C ZINC001578702675 1171983740 /nfs/dbraw/zinc/98/37/40/1171983740.db2.gz BSOIDVIAIVKIMK-UHFFFAOYSA-N 1 0 297.330 1.733 20 5 CDBDRO O=[N+]([O-])c1sccc1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000601179599 342487962 /nfs/dbraw/zinc/48/79/62/342487962.db2.gz YWVLYNKCLPLFSV-SNVBAGLBSA-N 1 0 285.369 1.915 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000320229343 341993193 /nfs/dbraw/zinc/99/31/93/341993193.db2.gz MAUPJWLLDDGYDG-UWVGGRQHSA-N 1 0 265.313 1.379 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000269143720 190472081 /nfs/dbraw/zinc/47/20/81/190472081.db2.gz XMUCJVDAKQGNCZ-JTQLQIEISA-N 1 0 289.291 1.775 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000590402309 342543911 /nfs/dbraw/zinc/54/39/11/342543911.db2.gz CQJQVRRBKCMQOQ-BXKDBHETSA-N 1 0 293.323 1.465 20 5 CDBDRO Cn1c(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC000590335140 342536478 /nfs/dbraw/zinc/53/64/78/342536478.db2.gz TZUIVFRFVHVWLO-NXEZZACHSA-N 1 0 280.328 1.146 20 5 CDBDRO CCOCC[C@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000564848443 365529065 /nfs/dbraw/zinc/52/90/65/365529065.db2.gz CWRURPDXVAZGKE-AWEZNQCLSA-N 1 0 282.340 1.514 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000127708004 187327468 /nfs/dbraw/zinc/32/74/68/187327468.db2.gz NGIXBJLAFOCHMT-NSHDSACASA-N 1 0 293.323 1.427 20 5 CDBDRO Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000262629871 361743419 /nfs/dbraw/zinc/74/34/19/361743419.db2.gz NHYQQKSDGMVIAZ-CMPLNLGQSA-N 1 0 292.339 1.424 20 5 CDBDRO COC[C@@H](C)OC[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000234776388 342046948 /nfs/dbraw/zinc/04/69/48/342046948.db2.gz SGEFOXGNHLWPDI-RISCZKNCSA-N 1 0 298.339 1.097 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1CCCO1)OCCO2 ZINC000590655854 342582216 /nfs/dbraw/zinc/58/22/16/342582216.db2.gz RXKWBGIIEZCWOQ-LLVKDONJSA-N 1 0 294.307 1.635 20 5 CDBDRO CC(=O)c1cc(N2CC[C@H]3CC[NH2+][C@H]3C2)ccc1[N+](=O)[O-] ZINC000591439040 342632001 /nfs/dbraw/zinc/63/20/01/342632001.db2.gz QWWJJYDMUIJKPJ-RISCZKNCSA-N 1 0 289.335 1.986 20 5 CDBDRO CC[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000125220783 187175410 /nfs/dbraw/zinc/17/54/10/187175410.db2.gz GDDVBODVROVTTH-SNVBAGLBSA-N 1 0 277.324 1.926 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1N1CC[C@@H]3CC[NH2+][C@@H]3C1)CCN2 ZINC000591436915 342631763 /nfs/dbraw/zinc/63/17/63/342631763.db2.gz COSGHAIFIFLIIP-GXFFZTMASA-N 1 0 288.351 1.751 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591298956 342624515 /nfs/dbraw/zinc/62/45/15/342624515.db2.gz NGZFQZRKNZBQHM-GWCFXTLKSA-N 1 0 290.323 1.811 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCC[NH2+]2)n1 ZINC000591429594 342629927 /nfs/dbraw/zinc/62/99/27/342629927.db2.gz DRRMWQJSIKMMSA-VIFPVBQESA-N 1 0 294.311 1.330 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nc1 ZINC000591444750 342632511 /nfs/dbraw/zinc/63/25/11/342632511.db2.gz MONKTKBAYZFIJQ-VXGBXAGGSA-N 1 0 276.340 1.816 20 5 CDBDRO CC(C)[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000592244592 342681060 /nfs/dbraw/zinc/68/10/60/342681060.db2.gz DPGIXOIJHXNYFV-CYBMUJFWSA-N 1 0 277.324 1.665 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000592215183 342681408 /nfs/dbraw/zinc/68/14/08/342681408.db2.gz ZEDVHBBJVHBMLK-MNOVXSKESA-N 1 0 294.355 1.562 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@H](C)CCC[NH3+])c1[N+](=O)[O-] ZINC000592337907 342685680 /nfs/dbraw/zinc/68/56/80/342685680.db2.gz WGVZHXKVRWJKCL-MRVPVSSYSA-N 1 0 283.332 1.128 20 5 CDBDRO Cc1cc(=O)n(CCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592161298 342670779 /nfs/dbraw/zinc/67/07/79/342670779.db2.gz PDRGXUWOVZEMJA-UHFFFAOYSA-N 1 0 265.313 1.455 20 5 CDBDRO Cn1cccc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000289881373 361873886 /nfs/dbraw/zinc/87/38/86/361873886.db2.gz SBJWOACOTXYLRR-UHFFFAOYSA-N 1 0 274.324 1.899 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCC2CC[NH2+]CC2)cc1CO ZINC000573556457 361897627 /nfs/dbraw/zinc/89/76/27/361897627.db2.gz LGWRCGIEGNEIPJ-UHFFFAOYSA-N 1 0 280.324 1.856 20 5 CDBDRO COC[C@H]1C[C@@H](O)C[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000593674569 342825647 /nfs/dbraw/zinc/82/56/47/342825647.db2.gz YPGCNCQWNMGHQT-GNXSNYGWSA-N 1 0 292.335 1.690 20 5 CDBDRO CCN1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1=O ZINC000593684852 342822276 /nfs/dbraw/zinc/82/22/76/342822276.db2.gz BOGIGBQXXRDPGM-SNVBAGLBSA-N 1 0 295.314 1.692 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593465510 342803645 /nfs/dbraw/zinc/80/36/45/342803645.db2.gz ALFRJRNEMIGIJF-GFCCVEGCSA-N 1 0 295.314 1.487 20 5 CDBDRO CC(C)Oc1nc(NC[C@@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000593931500 342852840 /nfs/dbraw/zinc/85/28/40/342852840.db2.gz LYCCNGFDXRHITG-NSHDSACASA-N 1 0 294.355 1.753 20 5 CDBDRO CCN(CC[NH3+])CCOc1ccccc1[N+](=O)[O-] ZINC000600716934 342244265 /nfs/dbraw/zinc/24/42/65/342244265.db2.gz NFZNHGNEQOBSFZ-UHFFFAOYSA-N 1 0 253.302 1.254 20 5 CDBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])c[nH]1 ZINC000594417091 342902903 /nfs/dbraw/zinc/90/29/03/342902903.db2.gz ABXQNWLKJHISCP-AAEUAGOBSA-N 1 0 292.339 1.670 20 5 CDBDRO C[NH2+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2OC)CCC1 ZINC000600827124 342251936 /nfs/dbraw/zinc/25/19/36/342251936.db2.gz SNNYKSFRMAKWRY-UHFFFAOYSA-N 1 0 293.323 1.475 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H](CO)CCF ZINC000594508775 342914831 /nfs/dbraw/zinc/91/48/31/342914831.db2.gz WBASIGKCAROZGE-BXKDBHETSA-N 1 0 268.288 1.892 20 5 CDBDRO C[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000092953396 342270427 /nfs/dbraw/zinc/27/04/27/342270427.db2.gz VCYFTRVWTKFBAW-KWBADKCTSA-N 1 0 277.324 1.770 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000127799857 342285357 /nfs/dbraw/zinc/28/53/57/342285357.db2.gz QWLXJDHUANFORF-ZWNOBZJWSA-N 1 0 293.323 1.091 20 5 CDBDRO COC[C@](C)(O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595019525 342995841 /nfs/dbraw/zinc/99/58/41/342995841.db2.gz QKUKBTVRPYXGIJ-IINYFYTJSA-N 1 0 298.339 1.651 20 5 CDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C/C=C/CO ZINC000595072265 343002666 /nfs/dbraw/zinc/00/26/66/343002666.db2.gz RCUFDQZRYYJFFJ-VUDBWIFFSA-N 1 0 293.323 1.450 20 5 CDBDRO Cc1noc(CN2CCC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000595291191 343024837 /nfs/dbraw/zinc/02/48/37/343024837.db2.gz HODAAAHPZIPQCW-UHFFFAOYSA-N 1 0 254.290 1.029 20 5 CDBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595340500 343030480 /nfs/dbraw/zinc/03/04/80/343030480.db2.gz AYKKHECLCAXEOI-NSHDSACASA-N 1 0 282.344 1.665 20 5 CDBDRO C[C@H](O)C[NH+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595305995 343031328 /nfs/dbraw/zinc/03/13/28/343031328.db2.gz FTEDDOCQRDUHDW-NSHDSACASA-N 1 0 297.330 1.232 20 5 CDBDRO CC(C)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000619525436 349789688 /nfs/dbraw/zinc/78/96/88/349789688.db2.gz ZQNFAYSACATXNY-UHFFFAOYSA-N 1 0 294.355 1.536 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000619531104 349793192 /nfs/dbraw/zinc/79/31/92/349793192.db2.gz BPUOMCPFEQJRGU-TXEJJXNPSA-N 1 0 277.324 1.255 20 5 CDBDRO Cc1noc(C[NH2+][C@@H](C2CC2)C(C)(C)CO)c1[N+](=O)[O-] ZINC000595504512 343079487 /nfs/dbraw/zinc/07/94/87/343079487.db2.gz FFBYIWMYXUFFFL-LBPRGKRZSA-N 1 0 283.328 1.778 20 5 CDBDRO Cc1noc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1[N+](=O)[O-] ZINC000595513593 343082655 /nfs/dbraw/zinc/08/26/55/343082655.db2.gz WZUIEVVOQKBTCB-XXILOJSOSA-N 1 0 281.312 1.794 20 5 CDBDRO CC[C@@H]1CC[C@@H](C)[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595785857 343155737 /nfs/dbraw/zinc/15/57/37/343155737.db2.gz ZURZCNPVDKUOFG-YRGRVCCFSA-N 1 0 296.371 1.663 20 5 CDBDRO CC[NH+](CC)CCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596055763 343222040 /nfs/dbraw/zinc/22/20/40/343222040.db2.gz NPEDROASJGVFHX-UHFFFAOYSA-N 1 0 294.355 1.838 20 5 CDBDRO COc1ccc(C[NH2+]CCOCCF)cc1[N+](=O)[O-] ZINC000596057005 343222518 /nfs/dbraw/zinc/22/25/18/343222518.db2.gz FHHFDXDKQXWWFK-UHFFFAOYSA-N 1 0 272.276 1.679 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000595981246 343210575 /nfs/dbraw/zinc/21/05/75/343210575.db2.gz BYWCXKSAPXPUAJ-SSDOTTSWSA-N 1 0 271.704 1.586 20 5 CDBDRO CCc1ccc(C(=O)N[C@@H](C)C[NH2+]C)cc1[N+](=O)[O-] ZINC000595981850 343210659 /nfs/dbraw/zinc/21/06/59/343210659.db2.gz FYZOBYHVHMGIFR-VIFPVBQESA-N 1 0 265.313 1.495 20 5 CDBDRO CC1(C)CC[NH2+][C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595923690 343192498 /nfs/dbraw/zinc/19/24/98/343192498.db2.gz AXDMOKRYBHLLIS-NSHDSACASA-N 1 0 263.297 1.921 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000596244763 343285713 /nfs/dbraw/zinc/28/57/13/343285713.db2.gz RIWBMLDEEKZIEG-LDYMZIIASA-N 1 0 268.292 1.658 20 5 CDBDRO C[N@H+](CCNC(=O)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000087190361 342386012 /nfs/dbraw/zinc/38/60/12/342386012.db2.gz QZPFQAAOHHBJSG-UHFFFAOYSA-N 1 0 291.351 1.738 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000596337083 343297746 /nfs/dbraw/zinc/29/77/46/343297746.db2.gz UBXYQZCTVYNLMA-QMMMGPOBSA-N 1 0 280.332 1.082 20 5 CDBDRO Cn1cc(CC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000088608082 342386779 /nfs/dbraw/zinc/38/67/79/342386779.db2.gz LZUHCBMEVRJEID-UHFFFAOYSA-N 1 0 286.335 1.929 20 5 CDBDRO C[C@@H](CCNc1cc[nH]c(=O)c1[N+](=O)[O-])[NH+](C)C ZINC000596426485 343312045 /nfs/dbraw/zinc/31/20/45/343312045.db2.gz AQHWYYCQQXNTIZ-QMMMGPOBSA-N 1 0 254.290 1.448 20 5 CDBDRO CC1(C)CC(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC(C)(C)[NH2+]1 ZINC000596702902 343374581 /nfs/dbraw/zinc/37/45/81/343374581.db2.gz BVGFSCUYRUJWFU-UHFFFAOYSA-N 1 0 294.355 1.962 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000219746123 342439516 /nfs/dbraw/zinc/43/95/16/342439516.db2.gz VPTAVQDRBZUNJM-UUSYTGMJSA-N 1 0 261.281 1.168 20 5 CDBDRO Cc1nn(C)c(N2CC[N@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000487062943 282270917 /nfs/dbraw/zinc/27/09/17/282270917.db2.gz STEQQNZWBWZIHB-NSHDSACASA-N 1 0 281.360 1.413 20 5 CDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C1([NH+](C)C)CC1 ZINC000597640107 343589552 /nfs/dbraw/zinc/58/95/52/343589552.db2.gz WEHGEYQGKPUDJI-UHFFFAOYSA-N 1 0 291.351 1.690 20 5 CDBDRO C[C@@H](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000598001208 343686141 /nfs/dbraw/zinc/68/61/41/343686141.db2.gz XNPJFRMJRJIGCE-NSHDSACASA-N 1 0 279.340 1.594 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000598668652 343871814 /nfs/dbraw/zinc/87/18/14/343871814.db2.gz CXSQXYFIIREDAA-IUODEOHRSA-N 1 0 289.335 1.857 20 5 CDBDRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000598680385 343875358 /nfs/dbraw/zinc/87/53/58/343875358.db2.gz AJBROWRKMGOFRG-TZMCWYRMSA-N 1 0 261.325 1.908 20 5 CDBDRO Cc1c([C@@H](C)[NH2+]CCN2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000599094821 343953911 /nfs/dbraw/zinc/95/39/11/343953911.db2.gz YWGWVMZUKTTXIJ-OLZOCXBDSA-N 1 0 293.367 1.620 20 5 CDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC1(C)COC1 ZINC000599571905 344090938 /nfs/dbraw/zinc/09/09/38/344090938.db2.gz WTPQQZDOGHAUST-UHFFFAOYSA-N 1 0 280.324 1.942 20 5 CDBDRO CCN(CC[NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000599906305 344153708 /nfs/dbraw/zinc/15/37/08/344153708.db2.gz AIHDOWLVUNEBET-UHFFFAOYSA-N 1 0 296.327 1.094 20 5 CDBDRO Cc1ccc(C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)cc1[N+](=O)[O-] ZINC000601972955 344300739 /nfs/dbraw/zinc/30/07/39/344300739.db2.gz FVOBYWUPDORCOW-DOMZBBRYSA-N 1 0 289.335 1.775 20 5 CDBDRO CC[NH2+]CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602428578 344422249 /nfs/dbraw/zinc/42/22/49/344422249.db2.gz QDNWJVGKLFRFFI-UHFFFAOYSA-N 1 0 291.351 1.742 20 5 CDBDRO C[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000602432998 344424803 /nfs/dbraw/zinc/42/48/03/344424803.db2.gz JLYBYEKBTDNCNF-MRVPVSSYSA-N 1 0 267.260 1.168 20 5 CDBDRO CC[NH2+][C@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000602439492 344417322 /nfs/dbraw/zinc/41/73/22/344417322.db2.gz GXQMXSKTQJOXNX-SECBINFHSA-N 1 0 263.297 1.482 20 5 CDBDRO COc1ccc(CC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000602596624 344502953 /nfs/dbraw/zinc/50/29/53/344502953.db2.gz QOOHKPASZYMOBD-ONGXEEELSA-N 1 0 293.323 1.094 20 5 CDBDRO CCN(CC[NH3+])C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000602534718 344470571 /nfs/dbraw/zinc/47/05/71/344470571.db2.gz JORKMQAFSZVTRS-UHFFFAOYSA-N 1 0 281.312 1.171 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000148837253 529984935 /nfs/dbraw/zinc/98/49/35/529984935.db2.gz ITIBFJKVSIPQCC-SSDOTTSWSA-N 1 0 257.315 1.242 20 5 CDBDRO CCOC1CC([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602826553 344612085 /nfs/dbraw/zinc/61/20/85/344612085.db2.gz HPOOFBDDQFBRFZ-UHFFFAOYSA-N 1 0 282.344 1.599 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)n1 ZINC000292696835 362493050 /nfs/dbraw/zinc/49/30/50/362493050.db2.gz FWZFRXKERQVTGQ-PHIMTYICSA-N 1 0 264.329 1.827 20 5 CDBDRO COC(C)(C)C[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602788274 344600654 /nfs/dbraw/zinc/60/06/54/344600654.db2.gz MSRJYEHTZMKLAK-UHFFFAOYSA-N 1 0 270.333 1.457 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]([NH+](C)C)CC1 ZINC000602818475 344608086 /nfs/dbraw/zinc/60/80/86/344608086.db2.gz DSWPQUZMGCLABG-CYBMUJFWSA-N 1 0 295.387 1.516 20 5 CDBDRO CO[C@@H]1C[C@@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])C12CCC2 ZINC000602842405 344622040 /nfs/dbraw/zinc/62/20/40/344622040.db2.gz XOLUDPRZAFPRJA-VXGBXAGGSA-N 1 0 294.355 1.647 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])n1cc(CCC[NH3+])nn1 ZINC000603212940 344744280 /nfs/dbraw/zinc/74/42/80/344744280.db2.gz BMNOOLPMSZOUBZ-SNVBAGLBSA-N 1 0 275.312 1.687 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000293075644 362524344 /nfs/dbraw/zinc/52/43/44/362524344.db2.gz NNCRJEYRMLPRQM-JTQLQIEISA-N 1 0 264.329 1.565 20 5 CDBDRO C[C@]1(NC(=O)Cc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000230733076 345441083 /nfs/dbraw/zinc/44/10/83/345441083.db2.gz XJNVGQYRFJVUCN-ZDUSSCGKSA-N 1 0 263.297 1.006 20 5 CDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000609877890 346031376 /nfs/dbraw/zinc/03/13/76/346031376.db2.gz QCVXYQSEGAGCJT-NSHDSACASA-N 1 0 294.355 1.538 20 5 CDBDRO CC(C)[C@@H]1C[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000584775916 346430017 /nfs/dbraw/zinc/43/00/17/346430017.db2.gz XACAPNSSITYAJM-VHDGCEQUSA-N 1 0 294.351 1.969 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000584712089 346411134 /nfs/dbraw/zinc/41/11/34/346411134.db2.gz CBFPWPGYVFURES-QWRGUYRKSA-N 1 0 294.330 1.955 20 5 CDBDRO COC[C@@H](O)C[NH2+]CCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000584716720 346412787 /nfs/dbraw/zinc/41/27/87/346412787.db2.gz MHYRTPUYEZHJEU-LBPRGKRZSA-N 1 0 297.355 1.302 20 5 CDBDRO C[C@H](CNc1ccc([N+](=O)[O-])cn1)N1CC[NH+](C)CC1 ZINC000057838225 347101613 /nfs/dbraw/zinc/10/16/13/347101613.db2.gz AQXGKMPYNODISY-LLVKDONJSA-N 1 0 279.344 1.038 20 5 CDBDRO O=[N+]([O-])c1ccsc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC000611411002 346779182 /nfs/dbraw/zinc/77/91/82/346779182.db2.gz HLGCVQSYMKBHNO-NSHDSACASA-N 1 0 297.380 1.957 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000086467873 179298619 /nfs/dbraw/zinc/29/86/19/179298619.db2.gz FBMLEBGFEFJLRR-GHMZBOCLSA-N 1 0 277.324 1.726 20 5 CDBDRO CCNC(=O)CN(CC)Cc1cccc([N+](=O)[O-])c1 ZINC000015307229 348523202 /nfs/dbraw/zinc/52/32/02/348523202.db2.gz OIHBDJWYXGGMDU-UHFFFAOYSA-N 1 0 265.313 1.553 20 5 CDBDRO C[C@]1(CNc2ncccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000129354547 362930769 /nfs/dbraw/zinc/93/07/69/362930769.db2.gz WZYOMBDSOZNQKH-LBPRGKRZSA-N 1 0 250.302 1.791 20 5 CDBDRO CC(C)[NH2+]C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000057838336 348847945 /nfs/dbraw/zinc/84/79/45/348847945.db2.gz BHOQIOBAYCDSKK-UHFFFAOYSA-N 1 0 264.329 1.957 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CC[NH+](C)C ZINC000068468990 349068345 /nfs/dbraw/zinc/06/83/45/349068345.db2.gz MTWBXKOPPVEEFN-NSHDSACASA-N 1 0 279.340 1.973 20 5 CDBDRO CC1(C)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551222 180002497 /nfs/dbraw/zinc/00/24/97/180002497.db2.gz VSUUKBXBBPYOBN-UHFFFAOYSA-N 1 0 265.313 1.488 20 5 CDBDRO COc1cc(N2CCC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000111051220 186348241 /nfs/dbraw/zinc/34/82/41/186348241.db2.gz YASZLNCQJXFKRW-SNVBAGLBSA-N 1 0 265.313 1.779 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000122657390 187044433 /nfs/dbraw/zinc/04/44/33/187044433.db2.gz PZYZWPSASVMKED-BDAKNGLRSA-N 1 0 281.287 1.556 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1C[NH3+] ZINC000123445719 187092063 /nfs/dbraw/zinc/09/20/63/187092063.db2.gz AZRKGQJPUHSECF-LBPRGKRZSA-N 1 0 265.313 1.527 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](C)C[NH+](C)C)n1 ZINC000291962251 198119209 /nfs/dbraw/zinc/11/92/09/198119209.db2.gz VJJGFXVNTZZTEN-VIFPVBQESA-N 1 0 252.318 1.908 20 5 CDBDRO Cc1ccc(C(=O)NC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000133613480 187696580 /nfs/dbraw/zinc/69/65/80/187696580.db2.gz DYBNALMPXFKLBN-SNVBAGLBSA-N 1 0 263.297 1.243 20 5 CDBDRO C[NH2+]CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000152876832 188050022 /nfs/dbraw/zinc/05/00/22/188050022.db2.gz XXTRJCIAJLIAAH-UHFFFAOYSA-N 1 0 265.313 1.551 20 5 CDBDRO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](C)CO ZINC000292345965 198253164 /nfs/dbraw/zinc/25/31/64/198253164.db2.gz XFZWFPRBLXEWOL-DGCLKSJQSA-N 1 0 298.339 1.037 20 5 CDBDRO COc1cc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000165983098 358475537 /nfs/dbraw/zinc/47/55/37/358475537.db2.gz NDFXJGKKPIVDPX-GXSJLCMTSA-N 1 0 293.323 1.413 20 5 CDBDRO CC1(C)CCC[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000094324250 366095710 /nfs/dbraw/zinc/09/57/10/366095710.db2.gz CBGWFDZGFUHRAE-RYUDHWBXSA-N 1 0 282.344 1.321 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](CCO)c2ccccc2)n1 ZINC000271707078 191284459 /nfs/dbraw/zinc/28/44/59/191284459.db2.gz UNXZEDNHUIXFBE-CYBMUJFWSA-N 1 0 290.323 1.505 20 5 CDBDRO C[C@@H]([NH3+])CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000063171697 363320221 /nfs/dbraw/zinc/32/02/21/363320221.db2.gz NFBOXWCYVUNGRK-MRVPVSSYSA-N 1 0 287.341 1.148 20 5 CDBDRO COC[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268934320 366150528 /nfs/dbraw/zinc/15/05/28/366150528.db2.gz RISNEENERIBABV-QWRGUYRKSA-N 1 0 268.313 1.561 20 5 CDBDRO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000411925637 363380960 /nfs/dbraw/zinc/38/09/60/363380960.db2.gz TUWSKIWGUJHDRM-STQMWFEESA-N 1 0 266.297 1.176 20 5 CDBDRO CCc1ccc(C(=O)NC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000273024029 192023373 /nfs/dbraw/zinc/02/33/73/192023373.db2.gz LJQPNXBAKDGHLE-SNVBAGLBSA-N 1 0 277.324 1.497 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CC[NH2+]1 ZINC000286219286 356232393 /nfs/dbraw/zinc/23/23/93/356232393.db2.gz TUPOWZMFQRCVLB-DTWKUNHWSA-N 1 0 278.312 1.047 20 5 CDBDRO CCOC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000286332157 356255175 /nfs/dbraw/zinc/25/51/75/356255175.db2.gz XBJBPDMDQUNFDV-NSHDSACASA-N 1 0 270.333 1.442 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+](CCO)C2CCCCC2)n1 ZINC000304607882 356430227 /nfs/dbraw/zinc/43/02/27/356430227.db2.gz IZEBFLAJPYSNFN-UHFFFAOYSA-N 1 0 282.344 1.418 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC[C@H]21 ZINC000269000353 366303651 /nfs/dbraw/zinc/30/36/51/366303651.db2.gz JNPVXPJJVKRTJP-ZYHUDNBSSA-N 1 0 292.339 1.479 20 5 CDBDRO C[C@@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000293798799 198776901 /nfs/dbraw/zinc/77/69/01/198776901.db2.gz PCERJPMHMCIOQP-LZGFCCKTSA-N 1 0 291.351 1.922 20 5 CDBDRO CN(C(=O)c1csc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000037563264 356911661 /nfs/dbraw/zinc/91/16/61/356911661.db2.gz ATTWSYGKHGJETH-UHFFFAOYSA-N 1 0 269.326 1.480 20 5 CDBDRO C[C@H]([NH2+]C[C@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293877679 198808266 /nfs/dbraw/zinc/80/82/66/198808266.db2.gz VIEDDUBUCUZZOS-VHSXEESVSA-N 1 0 265.313 1.864 20 5 CDBDRO [NH3+]C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000164987818 363570361 /nfs/dbraw/zinc/57/03/61/363570361.db2.gz QSZZDGHGGAIEMO-NSHDSACASA-N 1 0 285.731 1.408 20 5 CDBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCOCC1 ZINC000179837897 357226825 /nfs/dbraw/zinc/22/68/25/357226825.db2.gz BDFCNIDDBGSZDZ-JTQLQIEISA-N 1 0 268.317 1.196 20 5 CDBDRO CC[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1C)[NH+](C)C ZINC000360526017 357359850 /nfs/dbraw/zinc/35/98/50/357359850.db2.gz CVLFMFXSIPJDEK-LBPRGKRZSA-N 1 0 279.340 1.860 20 5 CDBDRO CO[C@H](C)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000182058529 357403292 /nfs/dbraw/zinc/40/32/92/357403292.db2.gz XFZVMBYKELMZRZ-GFCCVEGCSA-N 1 0 279.340 1.752 20 5 CDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135239292 357802067 /nfs/dbraw/zinc/80/20/67/357802067.db2.gz GZZJOABVXWOLEF-CQSZACIVSA-N 1 0 279.340 1.627 20 5 CDBDRO Cc1cc(C(=O)NC[C@H]([NH3+])C(C)C)cc([N+](=O)[O-])c1 ZINC000135238206 357802075 /nfs/dbraw/zinc/80/20/75/357802075.db2.gz YRAWEWCYMSNENL-LBPRGKRZSA-N 1 0 265.313 1.616 20 5 CDBDRO C[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000190424362 358072132 /nfs/dbraw/zinc/07/21/32/358072132.db2.gz NFUGSLPOBMHZMR-GDLCADMTSA-N 1 0 280.324 1.331 20 5 CDBDRO COc1ccc(C[NH2+]CCC[S@@](C)=O)cc1[N+](=O)[O-] ZINC000116919751 358152290 /nfs/dbraw/zinc/15/22/90/358152290.db2.gz ACVOJDVQWRKLRF-IBGZPJMESA-N 1 0 286.353 1.462 20 5 CDBDRO Cc1c(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000193632159 358310404 /nfs/dbraw/zinc/31/04/04/358310404.db2.gz AYHCSWMFXMSSFU-ZANVPECISA-N 1 0 277.324 1.517 20 5 CDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408228228 358450693 /nfs/dbraw/zinc/45/06/93/358450693.db2.gz WKYMWYHPDWTEKD-JOYOIKCWSA-N 1 0 280.328 1.335 20 5 CDBDRO C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC(C)(C)O1 ZINC000176218345 358741059 /nfs/dbraw/zinc/74/10/59/358741059.db2.gz FPORBPINXMDHHA-JTQLQIEISA-N 1 0 268.317 1.291 20 5 CDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCN(C)C ZINC000299345389 358877536 /nfs/dbraw/zinc/87/75/36/358877536.db2.gz LYFCYLYMBRVSEN-LLVKDONJSA-N 1 0 294.355 1.463 20 5 CDBDRO C[NH2+]CCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000121006889 358895443 /nfs/dbraw/zinc/89/54/43/358895443.db2.gz CLVUPNFRZFNEIJ-UHFFFAOYSA-N 1 0 271.704 1.588 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(OC[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000290495089 366531402 /nfs/dbraw/zinc/53/14/02/366531402.db2.gz AGBPAGWHMHNZFB-GFCCVEGCSA-N 1 0 280.324 1.737 20 5 CDBDRO COC[C@@H](O)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539060762 358950399 /nfs/dbraw/zinc/95/03/99/358950399.db2.gz QUHMIVJMDANMTL-YPMHNXCESA-N 1 0 282.340 1.951 20 5 CDBDRO Cc1cccc(C(=O)N[C@H](C)[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000381332888 359038732 /nfs/dbraw/zinc/03/87/32/359038732.db2.gz BXTDTWXPTRPPED-DTWKUNHWSA-N 1 0 251.286 1.369 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000263865771 359069467 /nfs/dbraw/zinc/06/94/67/359069467.db2.gz BTFKVYWLRJNOEL-SECBINFHSA-N 1 0 268.317 1.383 20 5 CDBDRO CC(C)NC(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000047889338 359187905 /nfs/dbraw/zinc/18/79/05/359187905.db2.gz UFKGCFOUBOCHHR-UHFFFAOYSA-N 1 0 265.313 1.599 20 5 CDBDRO C[C@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@H](C)[NH+]1C ZINC000338795418 359176429 /nfs/dbraw/zinc/17/64/29/359176429.db2.gz PACWBXMPISONJU-UWVGGRQHSA-N 1 0 292.339 1.223 20 5 CDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000050162889 359352354 /nfs/dbraw/zinc/35/23/54/359352354.db2.gz TWFMRYPGEBPXLZ-PWSUYJOCSA-N 1 0 277.324 1.713 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000153912970 237027784 /nfs/dbraw/zinc/02/77/84/237027784.db2.gz LGLZLSZGWVMHOE-RKDXNWHRSA-N 1 0 278.312 1.121 20 5 CDBDRO O=C(CC1CC[NH2+]CC1)NCc1ccccc1[N+](=O)[O-] ZINC000050015937 359561360 /nfs/dbraw/zinc/56/13/60/359561360.db2.gz ZNJORKJYGFVQBT-UHFFFAOYSA-N 1 0 277.324 1.601 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000029588930 359603168 /nfs/dbraw/zinc/60/31/68/359603168.db2.gz PANQIFHDSUJABF-SECBINFHSA-N 1 0 265.317 1.225 20 5 CDBDRO Cc1nc(N(C)[C@@H]2CCC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC000297098909 200084677 /nfs/dbraw/zinc/08/46/77/200084677.db2.gz LAFDONXMWQPCDF-SNVBAGLBSA-N 1 0 265.317 1.224 20 5 CDBDRO COc1ccc(C[N@@H+]2C[C@H](C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000351794657 359835644 /nfs/dbraw/zinc/83/56/44/359835644.db2.gz FGKOJNBXVLNQLB-JOYOIKCWSA-N 1 0 266.297 1.416 20 5 CDBDRO CC(C)[N@H+](C)CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000089421304 359903957 /nfs/dbraw/zinc/90/39/57/359903957.db2.gz DEUJIDOPXYEXNW-UHFFFAOYSA-N 1 0 291.311 1.750 20 5 CDBDRO Cc1cccc(C(=O)NCC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000166676958 360214266 /nfs/dbraw/zinc/21/42/66/360214266.db2.gz SIQIKMDXFPOCMJ-LLVKDONJSA-N 1 0 277.324 1.775 20 5 CDBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000166716313 360234398 /nfs/dbraw/zinc/23/43/98/360234398.db2.gz STJYHWQOBZIDPP-LLVKDONJSA-N 1 0 281.287 1.606 20 5 CDBDRO [NH3+]CC1(NC(=O)CNc2ccccc2[N+](=O)[O-])CCCC1 ZINC000238015491 360356418 /nfs/dbraw/zinc/35/64/18/360356418.db2.gz INOQNCPFKYUSIA-UHFFFAOYSA-N 1 0 292.339 1.394 20 5 CDBDRO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000385839487 360358576 /nfs/dbraw/zinc/35/85/76/360358576.db2.gz VNUSRCLBKBVCGK-CMPLNLGQSA-N 1 0 250.298 1.798 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC000179000484 189160337 /nfs/dbraw/zinc/16/03/37/189160337.db2.gz IFLRXKZZLWBPMK-SNVBAGLBSA-N 1 0 292.339 1.167 20 5 CDBDRO Cc1c(C(=O)N(C)[C@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000179186551 189175541 /nfs/dbraw/zinc/17/55/41/189175541.db2.gz WYOBPNXCHPGTSJ-MRVPVSSYSA-N 1 0 251.286 1.322 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000179194002 189176180 /nfs/dbraw/zinc/17/61/80/189176180.db2.gz RXRUPTCFOCHVID-QMMMGPOBSA-N 1 0 285.731 1.596 20 5 CDBDRO COc1cc(C(=O)N(C)[C@@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000179193260 189176516 /nfs/dbraw/zinc/17/65/16/189176516.db2.gz RSFPEQICQJQXPE-QMMMGPOBSA-N 1 0 267.285 1.023 20 5 CDBDRO [NH3+]CCCc1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000229836338 360951772 /nfs/dbraw/zinc/95/17/72/360951772.db2.gz UGJJWEWZVUQOGP-UHFFFAOYSA-N 1 0 275.312 1.320 20 5 CDBDRO COCC(C)(C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000178602206 238377880 /nfs/dbraw/zinc/37/78/80/238377880.db2.gz ZKMVFTHQMREBRB-UHFFFAOYSA-N 1 0 281.312 1.208 20 5 CDBDRO C[NH+]1CCC(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000035084502 361223851 /nfs/dbraw/zinc/22/38/51/361223851.db2.gz GEYNEPAUGNGWFD-UHFFFAOYSA-N 1 0 278.312 1.200 20 5 CDBDRO C[C@H]1CCCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000248570537 361251384 /nfs/dbraw/zinc/25/13/84/361251384.db2.gz QRTNPWLICXQDBZ-WCQYABFASA-N 1 0 282.344 1.274 20 5 CDBDRO C[C@@H]1CCC[C@H](CO)[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000181383875 189295788 /nfs/dbraw/zinc/29/57/88/189295788.db2.gz LOHWALSBRKXTRD-DFBGVHRSSA-N 1 0 294.351 1.864 20 5 CDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cn1 ZINC000301509253 201037561 /nfs/dbraw/zinc/03/75/61/201037561.db2.gz AVPVWFBOUPCEIW-CMPLNLGQSA-N 1 0 264.329 1.766 20 5 CDBDRO CC[NH2+]CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000236902322 361395900 /nfs/dbraw/zinc/39/59/00/361395900.db2.gz QTXJGQZDPFOEOK-UHFFFAOYSA-N 1 0 265.313 1.253 20 5 CDBDRO COCCOCCC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000223448282 361450613 /nfs/dbraw/zinc/45/06/13/361450613.db2.gz ZRCQPDIYIREMNH-UHFFFAOYSA-N 1 0 298.339 1.746 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000261684930 238949746 /nfs/dbraw/zinc/94/97/46/238949746.db2.gz MTEGDYSUUONTHW-FZMZJTMJSA-N 1 0 289.335 1.727 20 5 CDBDRO Cc1cccc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c1[N+](=O)[O-] ZINC000186718337 189448450 /nfs/dbraw/zinc/44/84/50/189448450.db2.gz CEPRXYCIFOWHSG-CABZTGNLSA-N 1 0 277.324 1.631 20 5 CDBDRO Cc1nc(N2CC[C@@H](C)[C@@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000581062685 363967447 /nfs/dbraw/zinc/96/74/47/363967447.db2.gz LDWYISLIOZOOFT-SCZZXKLOSA-N 1 0 265.317 1.114 20 5 CDBDRO COc1cc(C[NH2+][C@H](C)C[C@@H](C)O)c([N+](=O)[O-])cc1O ZINC000361030273 363973089 /nfs/dbraw/zinc/97/30/89/363973089.db2.gz JYOGQXAJDCGWAR-RKDXNWHRSA-N 1 0 284.312 1.558 20 5 CDBDRO C[NH2+]CCSCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000573365562 364022262 /nfs/dbraw/zinc/02/22/62/364022262.db2.gz YYXAWYJXFIGOAK-UHFFFAOYSA-N 1 0 299.352 1.495 20 5 CDBDRO CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CC1 ZINC000174651559 364252378 /nfs/dbraw/zinc/25/23/78/364252378.db2.gz AILULMQHTJHPHP-ZDUSSCGKSA-N 1 0 282.344 1.274 20 5 CDBDRO C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000249588821 364925701 /nfs/dbraw/zinc/92/57/01/364925701.db2.gz UUKQDYICFNQTDR-ZWNOBZJWSA-N 1 0 277.324 1.681 20 5 CDBDRO COCCC[N@H+](CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000275436879 193037139 /nfs/dbraw/zinc/03/71/39/193037139.db2.gz JXDOYYSRGHYFJL-UHFFFAOYSA-N 1 0 298.339 1.304 20 5 CDBDRO CC[N@H+](CCCO)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000270766468 366930911 /nfs/dbraw/zinc/93/09/11/366930911.db2.gz ZZZMHSABHCZDJC-NSHDSACASA-N 1 0 295.339 1.626 20 5 CDBDRO CCc1ccc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000272193366 367310126 /nfs/dbraw/zinc/31/01/26/367310126.db2.gz FPUXHOTYHBKCMO-GWCFXTLKSA-N 1 0 291.351 1.967 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000417125686 242329579 /nfs/dbraw/zinc/32/95/79/242329579.db2.gz BNGYPRRCCRQHJF-PWSUYJOCSA-N 1 0 292.339 1.659 20 5 CDBDRO C[C@@H](NC(=O)N(C)[C@@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417136317 242332518 /nfs/dbraw/zinc/33/25/18/242332518.db2.gz KKYAAXCMZKVDTB-VHSXEESVSA-N 1 0 280.328 1.644 20 5 CDBDRO C[C@H](NC(=O)NCCCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417145184 242335973 /nfs/dbraw/zinc/33/59/73/242335973.db2.gz WMJNPTJJIXVPHK-JTQLQIEISA-N 1 0 280.328 1.694 20 5 CDBDRO C[C@@H](NC(=O)N[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000417145751 242336538 /nfs/dbraw/zinc/33/65/38/242336538.db2.gz XLPGQOLSOVIGTA-PWSUYJOCSA-N 1 0 292.339 1.707 20 5 CDBDRO C[NH2+]CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000418333069 242953923 /nfs/dbraw/zinc/95/39/23/242953923.db2.gz ROONVYXHTXTANQ-UHFFFAOYSA-N 1 0 280.328 1.349 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC(C)(C)[NH3+] ZINC000418412861 243044112 /nfs/dbraw/zinc/04/41/12/243044112.db2.gz INEWFFQLXCXURS-UHFFFAOYSA-N 1 0 280.328 1.474 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000089091031 368828234 /nfs/dbraw/zinc/82/82/34/368828234.db2.gz WXJFAKWUVHCXQT-HTQZYQBOSA-N 1 0 269.326 1.514 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000089090898 368828606 /nfs/dbraw/zinc/82/86/06/368828606.db2.gz RJBVVRSTLJZIDC-JQWIXIFHSA-N 1 0 263.297 1.452 20 5 CDBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000269382166 368947513 /nfs/dbraw/zinc/94/75/13/368947513.db2.gz PHDRTJMGULTQPT-VIFPVBQESA-N 1 0 295.343 1.123 20 5 CDBDRO C[C@@H]([NH3+])CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000420161886 243896950 /nfs/dbraw/zinc/89/69/50/243896950.db2.gz XCEJVVGLOCVBGT-SECBINFHSA-N 1 0 260.297 1.714 20 5 CDBDRO C[C@H]1C[NH2+]CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420305383 244053839 /nfs/dbraw/zinc/05/38/39/244053839.db2.gz ZANMAQPEVHWSNR-NSHDSACASA-N 1 0 292.339 1.217 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](CN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)C1 ZINC000420292997 244035978 /nfs/dbraw/zinc/03/59/78/244035978.db2.gz XDKLRSPDAOCNDO-ZJUUUORDSA-N 1 0 289.339 1.822 20 5 CDBDRO CCCN1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000421348510 244656137 /nfs/dbraw/zinc/65/61/37/244656137.db2.gz HMGROSFFIGYCHX-ZDUSSCGKSA-N 1 0 291.351 1.943 20 5 CDBDRO COC(=O)c1cnc(NC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000276587721 193390943 /nfs/dbraw/zinc/39/09/43/193390943.db2.gz PPAQUIZQHRTHNI-MRVPVSSYSA-N 1 0 282.300 1.138 20 5 CDBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000301245730 369907335 /nfs/dbraw/zinc/90/73/35/369907335.db2.gz LDFFPTFFSNIEJX-SECBINFHSA-N 1 0 280.332 1.253 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000161314950 369880057 /nfs/dbraw/zinc/88/00/57/369880057.db2.gz LQCBDZFRGZWTPH-WDEREUQCSA-N 1 0 293.323 1.360 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000161315459 369895957 /nfs/dbraw/zinc/89/59/57/369895957.db2.gz WOCUIMKJEGBHDC-DTWKUNHWSA-N 1 0 281.287 1.734 20 5 CDBDRO CC[C@H](CO)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000295716218 370588205 /nfs/dbraw/zinc/58/82/05/370588205.db2.gz NPYIYHMVGFUHKA-LLVKDONJSA-N 1 0 295.339 1.544 20 5 CDBDRO CC[C@H](CO)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000295719137 370590050 /nfs/dbraw/zinc/59/00/50/370590050.db2.gz NXFHPVDUZQEMMK-DGCLKSJQSA-N 1 0 298.339 1.037 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([NH3+])C1 ZINC000422762832 245225482 /nfs/dbraw/zinc/22/54/82/245225482.db2.gz MVSTVVUOLBWXIM-VIFPVBQESA-N 1 0 279.296 1.167 20 5 CDBDRO CC(C)[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000367925422 371132469 /nfs/dbraw/zinc/13/24/69/371132469.db2.gz DJHBEJBJKPVECJ-LBPRGKRZSA-N 1 0 282.344 1.445 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NCCc1ccccc1[N+](=O)[O-] ZINC000422796568 245267884 /nfs/dbraw/zinc/26/78/84/245267884.db2.gz YNBWHKMBYPZLCF-YPMHNXCESA-N 1 0 263.341 1.725 20 5 CDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C(N)=O ZINC000295598119 371361905 /nfs/dbraw/zinc/36/19/05/371361905.db2.gz BZZIBNVWDCJFLM-UHFFFAOYSA-N 1 0 281.312 1.169 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000194639331 372908896 /nfs/dbraw/zinc/90/88/96/372908896.db2.gz PVZBOPIMGLAVGM-GFCCVEGCSA-N 1 0 291.351 1.975 20 5 CDBDRO Cn1cc(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000269644778 373301732 /nfs/dbraw/zinc/30/17/32/373301732.db2.gz DNHKHIQYBAAKNO-AWEZNQCLSA-N 1 0 290.323 1.494 20 5 CDBDRO C[NH+](C)CCCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000298351042 373512380 /nfs/dbraw/zinc/51/23/80/373512380.db2.gz OPOYVUQNELIGSA-UHFFFAOYSA-N 1 0 281.312 1.042 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000110791653 373662255 /nfs/dbraw/zinc/66/22/55/373662255.db2.gz HGHPNKMQBLCFGA-JTQLQIEISA-N 1 0 280.328 1.053 20 5 CDBDRO CC[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000273032302 373692037 /nfs/dbraw/zinc/69/20/37/373692037.db2.gz DQIHUVVMLHCTBK-NSHDSACASA-N 1 0 264.329 1.910 20 5 CDBDRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000130803402 373743776 /nfs/dbraw/zinc/74/37/76/373743776.db2.gz RXPOOHRSNAWMAA-SNVBAGLBSA-N 1 0 283.353 1.922 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC3(CC3)CC2)c1 ZINC000368426506 373830976 /nfs/dbraw/zinc/83/09/76/373830976.db2.gz WGEJGWZEYAENML-UHFFFAOYSA-N 1 0 250.302 1.667 20 5 CDBDRO Cc1ccc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000368383706 373835849 /nfs/dbraw/zinc/83/58/49/373835849.db2.gz GATCROCYCLWHOC-QWRGUYRKSA-N 1 0 281.287 1.333 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C[NH3+])C1 ZINC000347111863 374047249 /nfs/dbraw/zinc/04/72/49/374047249.db2.gz QCIFDHNLCMEHHW-NSHDSACASA-N 1 0 279.340 1.774 20 5 CDBDRO CC(C)[NH+]1CCC(Nc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000298748262 374125470 /nfs/dbraw/zinc/12/54/70/374125470.db2.gz VMBUZJZXZQSTKI-UHFFFAOYSA-N 1 0 280.332 1.252 20 5 CDBDRO C[C@H](NC(=O)N(C)[C@@H](C)C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000418237741 374259848 /nfs/dbraw/zinc/25/98/48/374259848.db2.gz WIRBUUYCEADMCL-UWVGGRQHSA-N 1 0 280.328 1.644 20 5 CDBDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000420945765 374307739 /nfs/dbraw/zinc/30/77/39/374307739.db2.gz SCEVYVBIPCOQBI-QWRGUYRKSA-N 1 0 280.324 1.751 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000421701879 374328388 /nfs/dbraw/zinc/32/83/88/374328388.db2.gz IRFRIWQFHRCFBQ-JTQLQIEISA-N 1 0 280.328 1.100 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000161617901 374356345 /nfs/dbraw/zinc/35/63/45/374356345.db2.gz MRQNPNNPFFHCPU-QWRGUYRKSA-N 1 0 263.297 1.595 20 5 CDBDRO [NH3+][C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C1CCC1 ZINC000423834757 246128378 /nfs/dbraw/zinc/12/83/78/246128378.db2.gz CSHRGOIWXRKJPT-LBPRGKRZSA-N 1 0 297.742 1.992 20 5 CDBDRO O=C(N1CCc2ccc([N+](=O)[O-])cc21)[C@@]1(F)CC[NH2+]C1 ZINC000370800349 374402996 /nfs/dbraw/zinc/40/29/96/374402996.db2.gz MEGCRPGAJQGZRF-CYBMUJFWSA-N 1 0 279.271 1.186 20 5 CDBDRO O=C(NCc1ncc[nH]1)Nc1cccc([N+](=O)[O-])c1 ZINC000080606706 374474146 /nfs/dbraw/zinc/47/41/46/374474146.db2.gz GFDVOULASHLXMF-UHFFFAOYSA-N 1 0 261.241 1.640 20 5 CDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]CC1 ZINC000376382515 374552553 /nfs/dbraw/zinc/55/25/53/374552553.db2.gz DOAOTWPJHFZFFG-LLVKDONJSA-N 1 0 293.323 1.232 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000429978936 374621117 /nfs/dbraw/zinc/62/11/17/374621117.db2.gz XWXIMJFKMJEQQC-SECBINFHSA-N 1 0 281.312 1.075 20 5 CDBDRO Cc1c(NC(=O)NC[C@H]2CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000274884022 374686561 /nfs/dbraw/zinc/68/65/61/374686561.db2.gz GGDYYAGRLHAZCD-LLVKDONJSA-N 1 0 292.339 1.976 20 5 CDBDRO CCOc1cc(C[N@@H+]2CC[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000276830338 374750587 /nfs/dbraw/zinc/75/05/87/374750587.db2.gz AWYVZYMOOFSZEV-LBPRGKRZSA-N 1 0 280.324 1.808 20 5 CDBDRO CCOc1cc(C[N@@H+]2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000276952944 374763229 /nfs/dbraw/zinc/76/32/29/374763229.db2.gz UQBHVEPLCNLPMW-LBPRGKRZSA-N 1 0 280.324 1.950 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000389804591 374758469 /nfs/dbraw/zinc/75/84/69/374758469.db2.gz ZEERGBAZMVEWMU-UFBFGSQYSA-N 1 0 281.287 1.462 20 5 CDBDRO COc1ccc(C[NH2+]CC2([S@](C)=O)CC2)cc1[N+](=O)[O-] ZINC000282359606 375081977 /nfs/dbraw/zinc/08/19/77/375081977.db2.gz NGAGUOAVHBDFKE-FQEVSTJZSA-N 1 0 298.364 1.604 20 5 CDBDRO CN(C)C(=O)CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332700448 375044099 /nfs/dbraw/zinc/04/40/99/375044099.db2.gz VDRCSDOZJOKQQG-UHFFFAOYSA-N 1 0 277.324 1.431 20 5 CDBDRO Cc1nc(N(C)CC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000302232049 375182284 /nfs/dbraw/zinc/18/22/84/375182284.db2.gz CKFLAGQFQRSTNO-UHFFFAOYSA-N 1 0 264.329 1.829 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161982936 375248577 /nfs/dbraw/zinc/24/85/77/375248577.db2.gz JBQBZLRBYCITKQ-NXEZZACHSA-N 1 0 293.323 1.603 20 5 CDBDRO CC1(C)CN(c2ccc([N+](=O)[O-])cc2F)CCN1CCO ZINC000302529492 375212069 /nfs/dbraw/zinc/21/20/69/375212069.db2.gz KVUXHGZBQGLAKP-UHFFFAOYSA-N 1 0 297.330 1.627 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000132015827 375395500 /nfs/dbraw/zinc/39/55/00/375395500.db2.gz OHNWIEJQHWKZQS-SFYZADRCSA-N 1 0 269.326 1.466 20 5 CDBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000344735601 375359016 /nfs/dbraw/zinc/35/90/16/375359016.db2.gz XDOGRZWAADFJEE-NSHDSACASA-N 1 0 294.355 1.773 20 5 CDBDRO [NH3+]C[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000132569445 375527349 /nfs/dbraw/zinc/52/73/49/375527349.db2.gz HQNBSKGHDYVLPO-SECBINFHSA-N 1 0 281.287 1.545 20 5 CDBDRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000305193706 375568410 /nfs/dbraw/zinc/56/84/10/375568410.db2.gz DHNMZJKKMRTHJD-MNOVXSKESA-N 1 0 268.317 1.027 20 5 CDBDRO O=[N+]([O-])c1cnc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000227649875 375585541 /nfs/dbraw/zinc/58/55/41/375585541.db2.gz GQQRBLOAVNAFOR-HTQZYQBOSA-N 1 0 268.704 1.299 20 5 CDBDRO Cn1cnc(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000344888369 375649546 /nfs/dbraw/zinc/64/95/46/375649546.db2.gz RDWVKEDRKWGYTP-XQRVVYSFSA-N 1 0 287.323 1.569 20 5 CDBDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000227979347 375659846 /nfs/dbraw/zinc/65/98/46/375659846.db2.gz RNNXDFACXWKVEW-MFKMUULPSA-N 1 0 266.297 1.224 20 5 CDBDRO COCC[N@H+](C)CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227889573 375642794 /nfs/dbraw/zinc/64/27/94/375642794.db2.gz MDEYRBMLDOERFA-UHFFFAOYSA-N 1 0 289.282 1.863 20 5 CDBDRO COc1cc(C(=O)NCC[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000294163373 375721304 /nfs/dbraw/zinc/72/13/04/375721304.db2.gz BOLVGWDRGXMOMC-UHFFFAOYSA-N 1 0 285.275 1.034 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000133583711 375803686 /nfs/dbraw/zinc/80/36/86/375803686.db2.gz DUVHAZUNOMVYPN-SNVBAGLBSA-N 1 0 281.287 1.558 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261562159 190040744 /nfs/dbraw/zinc/04/07/44/190040744.db2.gz GHZKAVJVETXPOK-SECBINFHSA-N 1 0 251.286 1.241 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000261593800 190041092 /nfs/dbraw/zinc/04/10/92/190041092.db2.gz ZIJOPPGAOJCMOZ-ZETCQYMHSA-N 1 0 255.249 1.072 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261612064 190041624 /nfs/dbraw/zinc/04/16/24/190041624.db2.gz FCRJWOZZSDMRNU-YPMHNXCESA-N 1 0 289.335 1.727 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@H](C[NH3+])C1 ZINC000357968290 375943010 /nfs/dbraw/zinc/94/30/10/375943010.db2.gz XHSTWNGOVLTWHE-CYBMUJFWSA-N 1 0 265.313 1.063 20 5 CDBDRO C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1CO ZINC000249004348 376116209 /nfs/dbraw/zinc/11/62/09/376116209.db2.gz ZFTZLXHMFAOFCA-FZMZJTMJSA-N 1 0 280.324 1.676 20 5 CDBDRO COCC[N@H+](CCO)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347376214 376058011 /nfs/dbraw/zinc/05/80/11/376058011.db2.gz ZYNVXWKDAYYVET-JLHYYAGUSA-N 1 0 294.351 1.939 20 5 CDBDRO Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000262830089 190063596 /nfs/dbraw/zinc/06/35/96/190063596.db2.gz QGUBIDHJPDVHEI-CMPLNLGQSA-N 1 0 277.324 1.631 20 5 CDBDRO Cc1n[nH]c(C(=O)NCCC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000263789215 190078899 /nfs/dbraw/zinc/07/88/99/190078899.db2.gz XJNVAGGPNAZCSI-UHFFFAOYSA-N 1 0 295.343 1.088 20 5 CDBDRO CCN(Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCC[NH2+]CC1 ZINC000435616978 248177546 /nfs/dbraw/zinc/17/75/46/248177546.db2.gz VGFCVFANOVWQKL-LLVKDONJSA-N 1 0 281.360 1.292 20 5 CDBDRO CCc1n[nH]c(C(=O)NCC[N@@H+](C)[C@H](C)CC)c1[N+](=O)[O-] ZINC000264682345 190128379 /nfs/dbraw/zinc/12/83/79/190128379.db2.gz PUSYRRAPGWKIEF-SECBINFHSA-N 1 0 297.359 1.340 20 5 CDBDRO CC(C)(C)[C@H](CO)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000265424279 190180933 /nfs/dbraw/zinc/18/09/33/190180933.db2.gz KIFTVWSUALDXRI-LBPRGKRZSA-N 1 0 295.339 1.530 20 5 CDBDRO CC(C)[N@H+](C)CC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000089312638 377822385 /nfs/dbraw/zinc/82/23/85/377822385.db2.gz SVWPCBMEASERMO-UHFFFAOYSA-N 1 0 279.340 1.594 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCC[NH+]1CCCC1 ZINC000172979304 377793562 /nfs/dbraw/zinc/79/35/62/377793562.db2.gz GKJNOOPQHYQDHC-UHFFFAOYSA-N 1 0 277.324 1.349 20 5 CDBDRO COc1cc(C[NH2+]C[C@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000069535325 378268853 /nfs/dbraw/zinc/26/88/53/378268853.db2.gz AXOALYFCCZJWPW-LLVKDONJSA-N 1 0 296.323 1.881 20 5 CDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000266069710 190228055 /nfs/dbraw/zinc/22/80/55/190228055.db2.gz KEJFOQMZUVWNTA-ONGXEEELSA-N 1 0 280.328 1.335 20 5 CDBDRO C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC000245594370 378596126 /nfs/dbraw/zinc/59/61/26/378596126.db2.gz QZJWYOVAPZAXET-RYUDHWBXSA-N 1 0 279.340 1.877 20 5 CDBDRO Nc1c(C(=O)N2CCC[C@@H](CC[NH3+])C2)cccc1[N+](=O)[O-] ZINC000442598907 249919175 /nfs/dbraw/zinc/91/91/75/249919175.db2.gz DEJRLHYBKPIRGD-JTQLQIEISA-N 1 0 292.339 1.378 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+][C@@]2(CCO)CCOC2)cs1 ZINC000278553083 194040119 /nfs/dbraw/zinc/04/01/19/194040119.db2.gz ZLDZLEQKKXLPII-NSHDSACASA-N 1 0 272.326 1.287 20 5 CDBDRO COCCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447507720 250377333 /nfs/dbraw/zinc/37/73/33/250377333.db2.gz INPWAZJPTQPKHR-VXGBXAGGSA-N 1 0 282.344 1.901 20 5 CDBDRO CC[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000174857419 379593509 /nfs/dbraw/zinc/59/35/09/379593509.db2.gz HYBQECLHHFBBRX-JQWIXIFHSA-N 1 0 268.317 1.291 20 5 CDBDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000449463664 250869141 /nfs/dbraw/zinc/86/91/41/250869141.db2.gz XEGMXUJUEZSIFT-TZMCWYRMSA-N 1 0 280.324 1.736 20 5 CDBDRO Cc1nc(N[C@@H]2CC[N@@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000450276844 251205138 /nfs/dbraw/zinc/20/51/38/251205138.db2.gz NZWQDZUVVUAFFK-SECBINFHSA-N 1 0 263.301 1.342 20 5 CDBDRO COC(=O)Cc1ccc(NCC[NH+]2CCC2)c([N+](=O)[O-])c1 ZINC000450399389 251262342 /nfs/dbraw/zinc/26/23/42/251262342.db2.gz DAULYHKAEYGNLP-UHFFFAOYSA-N 1 0 293.323 1.428 20 5 CDBDRO COCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447519475 285082558 /nfs/dbraw/zinc/08/25/58/285082558.db2.gz QNJACKVRTLWQIA-WDEREUQCSA-N 1 0 268.317 1.511 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289118009 197239213 /nfs/dbraw/zinc/23/92/13/197239213.db2.gz DGJRVWJGBOWLFS-OAHLLOKOSA-N 1 0 289.335 1.811 20 5 CDBDRO O=[N+]([O-])c1ccccc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000363086748 285163971 /nfs/dbraw/zinc/16/39/71/285163971.db2.gz HEHHWUNPHKCUNN-LSDHHAIUSA-N 1 0 291.351 1.630 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000261549600 285176844 /nfs/dbraw/zinc/17/68/44/285176844.db2.gz KRMGSHWAUFORDT-SNVBAGLBSA-N 1 0 254.315 1.241 20 5 CDBDRO COC[C@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000281318282 195195077 /nfs/dbraw/zinc/19/50/77/195195077.db2.gz ZQEKADIONWVNMK-QWRGUYRKSA-N 1 0 268.313 1.561 20 5 CDBDRO COC[C@@](C)([NH3+])CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000287258427 196816115 /nfs/dbraw/zinc/81/61/15/196816115.db2.gz KPFJEWFVPDNCFA-NSHDSACASA-N 1 0 297.340 1.375 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C1CC1)[NH+](C)C ZINC000359482630 390211554 /nfs/dbraw/zinc/21/15/54/390211554.db2.gz NYARYPQBWJDVOX-NSHDSACASA-N 1 0 281.360 1.872 20 5 CDBDRO Cc1ccnc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000286103213 390191787 /nfs/dbraw/zinc/19/17/87/390191787.db2.gz MSEBBYWJEBBTMO-NSHDSACASA-N 1 0 275.312 1.846 20 5 CDBDRO C[N@@H+]1CCN(CCNc2ncccc2[N+](=O)[O-])CC1(C)C ZINC000281586550 195297646 /nfs/dbraw/zinc/29/76/46/195297646.db2.gz GMZRNQYTFJGQEV-UHFFFAOYSA-N 1 0 293.371 1.428 20 5 CDBDRO O=C1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)N1 ZINC000433171398 390497233 /nfs/dbraw/zinc/49/72/33/390497233.db2.gz AZXHUAPOZWJVMJ-NSHDSACASA-N 1 0 263.297 1.353 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000127686009 390680539 /nfs/dbraw/zinc/68/05/39/390680539.db2.gz QEQHQWNYRYWXHW-LBPRGKRZSA-N 1 0 277.324 1.727 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000287320152 390874401 /nfs/dbraw/zinc/87/44/01/390874401.db2.gz WVQAMMXJQICMCK-JTQLQIEISA-N 1 0 297.380 1.753 20 5 CDBDRO C[C@H]([NH2+]C[C@H]1CN(C)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000495790596 391119955 /nfs/dbraw/zinc/11/99/55/391119955.db2.gz AKTICZJQYVTGHP-CABZTGNLSA-N 1 0 279.296 1.696 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000268062222 391272002 /nfs/dbraw/zinc/27/20/02/391272002.db2.gz ZCVDSTCJSNKHTO-CHWSQXEVSA-N 1 0 293.367 1.795 20 5 CDBDRO COc1ccc(NC(=O)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415433710 391431741 /nfs/dbraw/zinc/43/17/41/391431741.db2.gz HFNHMQKXWTXSRW-SNVBAGLBSA-N 1 0 294.311 1.477 20 5 CDBDRO COc1ccc(NC(=O)N(C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000415441369 391433283 /nfs/dbraw/zinc/43/32/83/391433283.db2.gz PCRJNAYJIKKAAG-UHFFFAOYSA-N 1 0 280.284 1.039 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)C[NH3+] ZINC000415572409 391467178 /nfs/dbraw/zinc/46/71/78/391467178.db2.gz BBOKLFOXIDYFQT-VIFPVBQESA-N 1 0 266.301 1.680 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000415627860 391469440 /nfs/dbraw/zinc/46/94/40/391469440.db2.gz CZHAAQFCQNDILN-WCBMZHEXSA-N 1 0 296.302 1.996 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415628429 391469531 /nfs/dbraw/zinc/46/95/31/391469531.db2.gz FIZHGBITMGZODI-SECBINFHSA-N 1 0 296.302 1.855 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]2C(=O)NC[C@@H]21 ZINC000343611632 391636280 /nfs/dbraw/zinc/63/62/80/391636280.db2.gz KXLGJQDOEZDFBU-KBPBESRZSA-N 1 0 289.335 1.614 20 5 CDBDRO Cc1ccc(C(=O)N(C)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000058233602 391682660 /nfs/dbraw/zinc/68/26/60/391682660.db2.gz IWCMRTMXWDUHMU-LLVKDONJSA-N 1 0 263.297 1.337 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CNCC1([NH3+])CCC1 ZINC000342139321 130297101 /nfs/dbraw/zinc/29/71/01/130297101.db2.gz PWMKAYURFWCLGO-UHFFFAOYSA-N 1 0 292.339 1.313 20 5 CDBDRO Cc1cc(C(=O)NCC2([NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC000416300425 391983080 /nfs/dbraw/zinc/98/30/80/391983080.db2.gz ISBPKSKFLOEAET-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO C[NH+](C)C[C@@](C)(O)CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000227930477 130856440 /nfs/dbraw/zinc/85/64/40/130856440.db2.gz DDFJQQQTIMZGRK-LBPRGKRZSA-N 1 0 287.747 1.973 20 5 CDBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]C1 ZINC000238006884 131072089 /nfs/dbraw/zinc/07/20/89/131072089.db2.gz VJJYDOMBYKHFTO-NSHDSACASA-N 1 0 293.323 1.089 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000442786510 392496462 /nfs/dbraw/zinc/49/64/62/392496462.db2.gz ZMQNUVRWEMRGAC-VHSXEESVSA-N 1 0 267.304 1.903 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH3+] ZINC000423585144 392604111 /nfs/dbraw/zinc/60/41/11/392604111.db2.gz AMMHGPJJDJSTBR-VIFPVBQESA-N 1 0 251.286 1.289 20 5 CDBDRO Cn1c(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000425057148 392985135 /nfs/dbraw/zinc/98/51/35/392985135.db2.gz MBPIXFVEJUELLK-CMPLNLGQSA-N 1 0 292.339 1.100 20 5 CDBDRO C[C@@H]1CC[C@H]([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000429577975 393082626 /nfs/dbraw/zinc/08/26/26/393082626.db2.gz HJMDYDOMTQQDIO-ZJUUUORDSA-N 1 0 252.318 1.949 20 5 CDBDRO CNC(=O)[C@@H](C)C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000081524155 393064538 /nfs/dbraw/zinc/06/45/38/393064538.db2.gz BCSKFNWMJMMTKX-NSHDSACASA-N 1 0 279.340 1.451 20 5 CDBDRO Cc1c(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cccc1[N+](=O)[O-] ZINC000449656090 393137015 /nfs/dbraw/zinc/13/70/15/393137015.db2.gz JDHSYEYPJFNFPP-NSHDSACASA-N 1 0 299.277 1.630 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000449638217 393137792 /nfs/dbraw/zinc/13/77/92/393137792.db2.gz JRFAKABRNUQZCO-QWRGUYRKSA-N 1 0 277.324 1.842 20 5 CDBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332727458 393155923 /nfs/dbraw/zinc/15/59/23/393155923.db2.gz SPTHPAVPQFUGJI-UWVGGRQHSA-N 1 0 252.318 1.949 20 5 CDBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000178885488 140009062 /nfs/dbraw/zinc/00/90/62/140009062.db2.gz NHQFHEUSGHRRHS-SNVBAGLBSA-N 1 0 299.352 1.015 20 5 CDBDRO Cc1cc(F)cc(C(=O)N(C)[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000179115656 140013345 /nfs/dbraw/zinc/01/33/45/140013345.db2.gz RYZHCEPIWMNIJO-JTQLQIEISA-N 1 0 281.287 1.476 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000237522709 140255610 /nfs/dbraw/zinc/25/56/10/140255610.db2.gz TWHGCZJJZZFKSD-LLVKDONJSA-N 1 0 294.355 1.498 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261567961 140350582 /nfs/dbraw/zinc/35/05/82/140350582.db2.gz IVAHNQKAEHUPCM-BXKDBHETSA-N 1 0 265.313 1.382 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000261596886 140360388 /nfs/dbraw/zinc/36/03/88/140360388.db2.gz UFRMPGOMUBJOLP-NSHDSACASA-N 1 0 283.303 1.837 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261597938 140361430 /nfs/dbraw/zinc/36/14/30/140361430.db2.gz PDUKYIPNQQMESV-JTQLQIEISA-N 1 0 267.304 1.775 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000459756245 285795705 /nfs/dbraw/zinc/79/57/05/285795705.db2.gz NLFVWDGMZIDPTJ-MDUKQBBOSA-N 1 0 278.308 1.611 20 5 CDBDRO COCC[NH2+]CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000092495685 147013793 /nfs/dbraw/zinc/01/37/93/147013793.db2.gz YJVUBIKNTSWKCS-JTQLQIEISA-N 1 0 281.312 1.008 20 5 CDBDRO C[C@@H]([NH2+]CCc1ncn(C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000094984720 147104012 /nfs/dbraw/zinc/10/40/12/147104012.db2.gz QSRKUUNGFSOFCA-SNVBAGLBSA-N 1 0 275.312 1.617 20 5 CDBDRO CO[C@]1(C)C[C@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000176286881 148034948 /nfs/dbraw/zinc/03/49/48/148034948.db2.gz LACHCSMGLCKJRI-SMDDNHRTSA-N 1 0 296.371 1.927 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000310976122 149205908 /nfs/dbraw/zinc/20/59/08/149205908.db2.gz JACNBCNZOHCWNN-QMMMGPOBSA-N 1 0 252.274 1.454 20 5 CDBDRO [NH3+]CC1CCC(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000312199373 149228552 /nfs/dbraw/zinc/22/85/52/149228552.db2.gz FIZQIZMKQUXYQX-UHFFFAOYSA-N 1 0 280.328 1.418 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCCN1CCSC[C@H]1CO ZINC000343716588 152277108 /nfs/dbraw/zinc/27/71/08/152277108.db2.gz BEYSZXDVYSUXRE-LLVKDONJSA-N 1 0 298.364 1.383 20 5 CDBDRO CCC[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000343970792 152374173 /nfs/dbraw/zinc/37/41/73/152374173.db2.gz IQKQAURIKUSQEZ-SNVBAGLBSA-N 1 0 265.317 1.093 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]1(O)CCOC1 ZINC000344846704 152664063 /nfs/dbraw/zinc/66/40/63/152664063.db2.gz BVTRIXTXMUFNPV-XCHKQJEOSA-N 1 0 292.335 1.739 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH3+])C1 ZINC000346649219 153257507 /nfs/dbraw/zinc/25/75/07/153257507.db2.gz NRNQDQBUXOOXIG-NSHDSACASA-N 1 0 265.313 1.527 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]([NH3+])C2CC2)c1 ZINC000129183870 292283270 /nfs/dbraw/zinc/28/32/70/292283270.db2.gz XCNQYULEZLTWFN-LLVKDONJSA-N 1 0 263.297 1.370 20 5 CDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000349878282 154253982 /nfs/dbraw/zinc/25/39/82/154253982.db2.gz VQJJXICXZXLEFH-ZJUUUORDSA-N 1 0 295.343 1.168 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CC[C@@H](CO)O1 ZINC000353709807 156032322 /nfs/dbraw/zinc/03/23/22/156032322.db2.gz SGWRIOSHRFCDRS-RDJPRVRMSA-N 1 0 292.335 1.738 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CC[C@H](CO)O1 ZINC000353709809 156032452 /nfs/dbraw/zinc/03/24/52/156032452.db2.gz SGWRIOSHRFCDRS-XEKFUKFUSA-N 1 0 292.335 1.738 20 5 CDBDRO C[C@@H](O)C[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CCCCC1 ZINC000355961407 157299541 /nfs/dbraw/zinc/29/95/41/157299541.db2.gz VNEDPRVAIXUIJY-LLVKDONJSA-N 1 0 296.371 1.844 20 5 CDBDRO C[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000360882354 158659862 /nfs/dbraw/zinc/65/98/62/158659862.db2.gz DMDVMOUPLZQVPV-YUTCNCBUSA-N 1 0 294.351 1.890 20 5 CDBDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285268106 196237605 /nfs/dbraw/zinc/23/76/05/196237605.db2.gz QRNMHKJTWCKDHR-CKLFPEKLSA-N 1 0 279.340 1.987 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2COCCO2)cc1 ZINC000038061620 174073336 /nfs/dbraw/zinc/07/33/36/174073336.db2.gz BYXQAQOEYDSANG-CYBMUJFWSA-N 1 0 266.297 1.142 20 5 CDBDRO Nc1cc(N)[nH+]c(SCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000040437792 174262493 /nfs/dbraw/zinc/26/24/93/174262493.db2.gz QKCYDJYHAXWHPA-UHFFFAOYSA-N 1 0 291.336 1.884 20 5 CDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]C1 ZINC000044501908 175185785 /nfs/dbraw/zinc/18/57/85/175185785.db2.gz NFACHTSSCCITNK-GUOLPTJISA-N 1 0 289.335 1.724 20 5 CDBDRO O=[N+]([O-])c1c(NC[C@H]2CCC[NH2+]C2)nc2sccn21 ZINC000044503162 175186139 /nfs/dbraw/zinc/18/61/39/175186139.db2.gz CBMGIBZNEMLHLJ-QMMMGPOBSA-N 1 0 281.341 1.716 20 5 CDBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000046468211 175396965 /nfs/dbraw/zinc/39/69/65/175396965.db2.gz VAOYERSZSKLIAD-UHFFFAOYSA-N 1 0 277.324 1.761 20 5 CDBDRO Cn1c(C(=O)N2CCCC[C@@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000070148936 175874639 /nfs/dbraw/zinc/87/46/39/175874639.db2.gz QXCGRQSPAPGFTH-SNVBAGLBSA-N 1 0 280.328 1.277 20 5 CDBDRO Cn1c(C(=O)N2CCCC[C@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000070148937 175874795 /nfs/dbraw/zinc/87/47/95/175874795.db2.gz QXCGRQSPAPGFTH-JTQLQIEISA-N 1 0 280.328 1.277 20 5 CDBDRO CN(c1nc2sccn2c1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000071311863 176118795 /nfs/dbraw/zinc/11/87/95/176118795.db2.gz NAOPMZTZIAXAJE-SSDOTTSWSA-N 1 0 267.314 1.102 20 5 CDBDRO Cc1nn(C)c(NCC[N@H+](C)C2CCCC2)c1[N+](=O)[O-] ZINC000071377615 176143083 /nfs/dbraw/zinc/14/30/83/176143083.db2.gz LHKYHBVTSGSGJR-UHFFFAOYSA-N 1 0 281.360 1.923 20 5 CDBDRO COCCC[N@H+](C)CCNc1c([N+](=O)[O-])c(C)nn1C ZINC000078372858 177335983 /nfs/dbraw/zinc/33/59/83/177335983.db2.gz GZZVFUOVDUPBGQ-UHFFFAOYSA-N 1 0 285.348 1.017 20 5 CDBDRO Cc1cccc(NC[C@@H]2C[NH2+]CCN2C)c1[N+](=O)[O-] ZINC000394750615 270338677 /nfs/dbraw/zinc/33/86/77/270338677.db2.gz SQHWOONYTKOCDZ-NSHDSACASA-N 1 0 264.329 1.219 20 5 CDBDRO [NH3+]C[C@H]1CCCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000217534106 261175632 /nfs/dbraw/zinc/17/56/32/261175632.db2.gz GFXYDLWSOFKRIY-FMFIFOJESA-N 1 0 289.335 1.805 20 5 CDBDRO C[C@@]1(F)C[NH2+]CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000414765372 263040776 /nfs/dbraw/zinc/04/07/76/263040776.db2.gz BXOWYDFQXLKIOZ-CYBMUJFWSA-N 1 0 285.294 1.867 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000094339879 265238438 /nfs/dbraw/zinc/23/84/38/265238438.db2.gz USTBMTKVFARWFK-RPHDQRHUSA-N 1 0 289.335 1.804 20 5 CDBDRO CSc1cccc(C(=O)NCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000188753164 270272875 /nfs/dbraw/zinc/27/28/75/270272875.db2.gz CFDZEXBGNIXYRS-UHFFFAOYSA-N 1 0 297.380 1.998 20 5 CDBDRO COc1cc(C(=O)NC(C)(C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000397232536 270347206 /nfs/dbraw/zinc/34/72/06/270347206.db2.gz RYABCIQVRFGYPG-UHFFFAOYSA-N 1 0 281.312 1.461 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261703499 274118458 /nfs/dbraw/zinc/11/84/58/274118458.db2.gz IVCBRLMXBAOCKA-CQSZACIVSA-N 1 0 277.324 1.793 20 5 CDBDRO C[C@@H]1C[N@H+](C)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000408450437 274334052 /nfs/dbraw/zinc/33/40/52/274334052.db2.gz JEZVAZUPWZIRBM-SECBINFHSA-N 1 0 275.312 1.611 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000044541540 274951298 /nfs/dbraw/zinc/95/12/98/274951298.db2.gz GEGIQXZTYSVPRZ-MRVPVSSYSA-N 1 0 253.258 1.141 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]2C[NH+]2CCCC2)nc1 ZINC000275084251 275040845 /nfs/dbraw/zinc/04/08/45/275040845.db2.gz ZFWQTYQUEQTJAB-LLVKDONJSA-N 1 0 277.328 1.449 20 5 CDBDRO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000148078352 275842400 /nfs/dbraw/zinc/84/24/00/275842400.db2.gz BTHKNIOPRLMPKE-UHFFFAOYSA-N 1 0 263.297 1.419 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(C[NH2+]C)CC1 ZINC000091554634 276722016 /nfs/dbraw/zinc/72/20/16/276722016.db2.gz NTEMESBNMBXBHT-UHFFFAOYSA-N 1 0 281.360 1.555 20 5 CDBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000081529393 277011231 /nfs/dbraw/zinc/01/12/31/277011231.db2.gz HJGLUUXBICIEGU-SNVBAGLBSA-N 1 0 265.313 1.409 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3ncc([N+](=O)[O-])s3)C[C@H]2C1 ZINC000192553002 277199597 /nfs/dbraw/zinc/19/95/97/277199597.db2.gz LSSDFOLUPNFTEW-OCAPTIKFSA-N 1 0 254.315 1.049 20 5 CDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC(C)(C)[NH+](C)C ZINC000134868995 277256008 /nfs/dbraw/zinc/25/60/08/277256008.db2.gz NJADWNCJMHSZNZ-UHFFFAOYSA-N 1 0 294.355 1.707 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000237125141 277278062 /nfs/dbraw/zinc/27/80/62/277278062.db2.gz HBEXODXJDDQADG-JTQLQIEISA-N 1 0 278.312 1.001 20 5 CDBDRO C[NH2+][C@H]1CCCN(c2ncc(C)cc2[N+](=O)[O-])C1 ZINC000090692576 277300436 /nfs/dbraw/zinc/30/04/36/277300436.db2.gz JODSCBOMOGIDRT-JTQLQIEISA-N 1 0 250.302 1.486 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000261581154 278570804 /nfs/dbraw/zinc/57/08/04/278570804.db2.gz FVQPUQZOYWJZFT-SOCHQFKDSA-N 1 0 266.301 1.039 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423669908 279413842 /nfs/dbraw/zinc/41/38/42/279413842.db2.gz AEMCPYBJFHFAMG-IUCAKERBSA-N 1 0 288.307 1.609 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000127256572 279525962 /nfs/dbraw/zinc/52/59/62/279525962.db2.gz BXZXSJZWTILKJM-BWNDKRECSA-N 1 0 277.324 1.580 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000070177035 279664566 /nfs/dbraw/zinc/66/45/66/279664566.db2.gz MADDKKHAJYPTAE-GXFFZTMASA-N 1 0 277.324 1.794 20 5 CDBDRO [NH3+]C1(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000230066455 280114212 /nfs/dbraw/zinc/11/42/12/280114212.db2.gz BKTOJZXWAHLQMU-QPJJXVBHSA-N 1 0 275.308 1.606 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000422763074 280400347 /nfs/dbraw/zinc/40/03/47/280400347.db2.gz IXBLKGOHFUFIEI-JTQLQIEISA-N 1 0 263.297 1.385 20 5 CDBDRO CCN(C)C(=O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294436458 280584636 /nfs/dbraw/zinc/58/46/36/280584636.db2.gz UYPPSONUVYVLBR-SECBINFHSA-N 1 0 280.328 1.306 20 5 CDBDRO [NH3+]CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422694736 280747874 /nfs/dbraw/zinc/74/78/74/280747874.db2.gz OKCFETIQZINTEJ-UHFFFAOYSA-N 1 0 289.744 1.415 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000522188250 281091747 /nfs/dbraw/zinc/09/17/47/281091747.db2.gz UUGODNQGLMVFMK-SNVBAGLBSA-N 1 0 282.344 1.393 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000153110904 281260235 /nfs/dbraw/zinc/26/02/35/281260235.db2.gz CAGUAGIWJUUNKK-QWHCGFSZSA-N 1 0 277.324 1.422 20 5 CDBDRO CC(C)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CC1 ZINC000533036114 282077886 /nfs/dbraw/zinc/07/78/86/282077886.db2.gz AMCBSAPTYJATKD-ZDUSSCGKSA-N 1 0 282.344 1.273 20 5 CDBDRO COC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000542527220 289548556 /nfs/dbraw/zinc/54/85/56/289548556.db2.gz VMEJCYJGLHQLEW-GFCCVEGCSA-N 1 0 283.328 1.017 20 5 CDBDRO CN(CC(C)(C)C[NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000570306671 294214806 /nfs/dbraw/zinc/21/48/06/294214806.db2.gz OLFWBMAAXOZIFO-UHFFFAOYSA-N 1 0 294.355 1.721 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000571779496 294505634 /nfs/dbraw/zinc/50/56/34/294505634.db2.gz LWIILKLAFMGFGX-NEPJUHHUSA-N 1 0 276.340 1.816 20 5 CDBDRO COc1cccc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000573606150 294851342 /nfs/dbraw/zinc/85/13/42/294851342.db2.gz XLYKLKOGUDMKMR-VHSXEESVSA-N 1 0 293.323 1.474 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000566104985 316477534 /nfs/dbraw/zinc/47/75/34/316477534.db2.gz OJFIDNQHRZZISO-CHWSQXEVSA-N 1 0 292.339 1.664 20 5 CDBDRO O=c1c(F)cc([N+](=O)[O-])cn1CCC1CC[NH2+]CC1 ZINC000569690695 316828005 /nfs/dbraw/zinc/82/80/05/316828005.db2.gz JDYOKEASUSDUIH-UHFFFAOYSA-N 1 0 269.276 1.285 20 5 CDBDRO CNc1ccc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000569843496 316861222 /nfs/dbraw/zinc/86/12/22/316861222.db2.gz UXMYAMOAXSKNNJ-UWVGGRQHSA-N 1 0 292.339 1.459 20 5 CDBDRO COc1cccc(C(=O)N(C)[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000575915688 317037528 /nfs/dbraw/zinc/03/75/28/317037528.db2.gz KZUYLZCNVXJNNE-SECBINFHSA-N 1 0 279.296 1.037 20 5 CDBDRO O=c1c(Cl)cc([N+](=O)[O-])cn1CC[C@H]1CCC[NH2+]C1 ZINC000576462308 317142747 /nfs/dbraw/zinc/14/27/47/317142747.db2.gz VQKIYDWUEJCHDD-SECBINFHSA-N 1 0 285.731 1.800 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)C[NH3+])c1 ZINC000577172015 317277344 /nfs/dbraw/zinc/27/73/44/317277344.db2.gz TYYYZAWHWALPIK-UHFFFAOYSA-N 1 0 283.353 1.784 20 5 CDBDRO CC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCO1 ZINC000182277515 323271240 /nfs/dbraw/zinc/27/12/40/323271240.db2.gz RKCKKDXPWSGKCE-MNOVXSKESA-N 1 0 268.317 1.339 20 5 CDBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000578750739 324013033 /nfs/dbraw/zinc/01/30/33/324013033.db2.gz ZDEMNMIIXCBQEK-ZJUUUORDSA-N 1 0 275.308 1.482 20 5 CDBDRO CO[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000579672021 324247032 /nfs/dbraw/zinc/24/70/32/324247032.db2.gz QZAXRXJQPRVSLV-IJLUTSLNSA-N 1 0 282.344 1.900 20 5 CDBDRO CO[C@@H]1COC[C@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000579706474 324258264 /nfs/dbraw/zinc/25/82/64/324258264.db2.gz HMDJOZAYOJINON-ZYHUDNBSSA-N 1 0 286.715 1.752 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](C)([NH3+])C1 ZINC000405844938 1159298637 /nfs/dbraw/zinc/29/86/37/1159298637.db2.gz UUVHMUXXQLMSOZ-ZDUSSCGKSA-N 1 0 263.297 1.467 20 5 CDBDRO C[C@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000886286005 687488354 /nfs/dbraw/zinc/48/83/54/687488354.db2.gz YQCCFVRTKZPXGD-GWCFXTLKSA-N 1 0 265.313 1.440 20 5 CDBDRO Cc1c(CNC(=O)NCCCC[NH3+])cccc1[N+](=O)[O-] ZINC000418084105 533858052 /nfs/dbraw/zinc/85/80/52/533858052.db2.gz UXOCVYVFHGVQRV-UHFFFAOYSA-N 1 0 280.328 1.441 20 5 CDBDRO Cc1cnc(C[NH3+])n1-c1cc([N+](=O)[O-])cc(F)c1C ZINC001169030431 1161998359 /nfs/dbraw/zinc/99/83/59/1161998359.db2.gz ADUATTIJNZPVGD-UHFFFAOYSA-N 1 0 264.260 1.995 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H](C)[NH2+]C[C@H]1C ZINC000261667591 535969577 /nfs/dbraw/zinc/96/95/77/535969577.db2.gz ZPLUIYVINBDORT-DTWKUNHWSA-N 1 0 267.333 1.306 20 5 CDBDRO CC(C)C[C@H]([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943178 519366635 /nfs/dbraw/zinc/36/66/35/519366635.db2.gz IZQNVPJBPJZMSR-LBPRGKRZSA-N 1 0 265.313 1.584 20 5 CDBDRO CCc1nn(C)c(N2CC[C@H]([NH3+])[C@@H](C)C2)c1[N+](=O)[O-] ZINC000227078304 522667982 /nfs/dbraw/zinc/66/79/82/522667982.db2.gz ALJDQWWPCFDRLY-IUCAKERBSA-N 1 0 267.333 1.064 20 5 CDBDRO COC1CCC([N@H+](C)CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000357927009 522683137 /nfs/dbraw/zinc/68/31/37/522683137.db2.gz IKHTUKXDSDMLRE-UHFFFAOYSA-N 1 0 282.344 1.681 20 5 CDBDRO CO[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000226422702 523995307 /nfs/dbraw/zinc/99/53/07/523995307.db2.gz UONCZRHLZRJWNR-CABCVRRESA-N 1 0 293.367 1.575 20 5 CDBDRO C[C@@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C1C[NH2+]C1 ZINC000164123138 524222949 /nfs/dbraw/zinc/22/29/49/524222949.db2.gz XWVFJAPESWOZDV-ZJUUUORDSA-N 1 0 277.324 1.628 20 5 CDBDRO C[C@H](Cn1cccn1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000037154598 524779933 /nfs/dbraw/zinc/77/99/33/524779933.db2.gz KAUJBJHOBFHMPV-LLVKDONJSA-N 1 0 260.297 1.970 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000067799251 525094402 /nfs/dbraw/zinc/09/44/02/525094402.db2.gz DOBWTTVRFOYNGW-LLVKDONJSA-N 1 0 265.313 1.267 20 5 CDBDRO C[C@H]1CCCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000187909155 526241745 /nfs/dbraw/zinc/24/17/45/526241745.db2.gz QRTNPWLICXQDBZ-AAEUAGOBSA-N 1 0 282.344 1.274 20 5 CDBDRO [NH3+]CCCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000155314971 527175765 /nfs/dbraw/zinc/17/57/65/527175765.db2.gz ICSUOLJRHUHLNH-UHFFFAOYSA-N 1 0 271.704 1.717 20 5 CDBDRO [NH3+]CC[C@H]1CN(c2ncc([N+](=O)[O-])cn2)c2ccccc21 ZINC000063129344 527195755 /nfs/dbraw/zinc/19/57/55/527195755.db2.gz BTNZMMFGISJCPA-JTQLQIEISA-N 1 0 285.307 1.969 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H](CO)C2)cc1 ZINC000304315430 527372419 /nfs/dbraw/zinc/37/24/19/527372419.db2.gz RLUNSVGSZIWRCF-LLVKDONJSA-N 1 0 266.297 1.288 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1COCCO1 ZINC000338715470 527397583 /nfs/dbraw/zinc/39/75/83/527397583.db2.gz GOGNJMMCDBRIII-MASHWEEQSA-N 1 0 278.308 1.613 20 5 CDBDRO CC[N@H+](CCOC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273044423 528562707 /nfs/dbraw/zinc/56/27/07/528562707.db2.gz PQPXWRTZECZTTF-GFCCVEGCSA-N 1 0 298.339 1.303 20 5 CDBDRO CC(C)[C@H](C[NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000087515383 534991656 /nfs/dbraw/zinc/99/16/56/534991656.db2.gz PKYGKKLXNXRVGI-NSHDSACASA-N 1 0 251.286 1.764 20 5 CDBDRO CC1(CNc2ccc([N+](=O)[O-])nc2)CC[NH2+]CC1 ZINC000129473176 535159385 /nfs/dbraw/zinc/15/93/85/535159385.db2.gz XZEUCCHHXBUYCV-UHFFFAOYSA-N 1 0 250.302 1.791 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]1C[NH2+]C ZINC000261573869 535968929 /nfs/dbraw/zinc/96/89/29/535968929.db2.gz AUDNKSBOCUSQJU-JTQLQIEISA-N 1 0 267.333 1.308 20 5 CDBDRO CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H](C[NH3+])C1CC1 ZINC000423961216 535998728 /nfs/dbraw/zinc/99/87/28/535998728.db2.gz ZIMHBGKGQUNPQS-CYBMUJFWSA-N 1 0 293.323 1.169 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261736880 536144623 /nfs/dbraw/zinc/14/46/23/536144623.db2.gz LRYKMPAZFYXWLE-MNOVXSKESA-N 1 0 279.344 1.308 20 5 CDBDRO CCc1nn(C)c(NC[C@@H](C)[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000220150280 536180959 /nfs/dbraw/zinc/18/09/59/536180959.db2.gz HVJHRABNTMSDHY-SECBINFHSA-N 1 0 281.360 1.785 20 5 CDBDRO C[NH2+][C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000261809680 536413527 /nfs/dbraw/zinc/41/35/27/536413527.db2.gz SIKMVZLXOIURFQ-JTQLQIEISA-N 1 0 290.323 1.920 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422721633 536956143 /nfs/dbraw/zinc/95/61/43/536956143.db2.gz VVXPZCYLIHJKAV-FUNVUKJBSA-N 1 0 291.351 1.976 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(c2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000733301817 575113773 /nfs/dbraw/zinc/11/37/73/575113773.db2.gz DKBNHBYEGVPQHR-NSHDSACASA-N 1 0 289.339 1.630 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)C1CC1 ZINC000771822420 575620497 /nfs/dbraw/zinc/62/04/97/575620497.db2.gz XHHSMFKQQIRVQJ-ZDUSSCGKSA-N 1 0 280.324 1.854 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)C1CC1 ZINC000771822417 575620526 /nfs/dbraw/zinc/62/05/26/575620526.db2.gz XHHSMFKQQIRVQJ-CYBMUJFWSA-N 1 0 280.324 1.854 20 5 CDBDRO CC[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000754248894 576887509 /nfs/dbraw/zinc/88/75/09/576887509.db2.gz YYOPVRTZOBDEOI-NSHDSACASA-N 1 0 282.296 1.322 20 5 CDBDRO CC(C)(C)[N@@H+]1CCCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000748083691 576895116 /nfs/dbraw/zinc/89/51/16/576895116.db2.gz TXEIVDZAEOVVFB-UHFFFAOYSA-N 1 0 281.360 1.555 20 5 CDBDRO Cc1cc(N2CC[NH+](CCCCO)CC2)ccc1[N+](=O)[O-] ZINC000750180256 576980856 /nfs/dbraw/zinc/98/08/56/576980856.db2.gz MAMVHCDCWKVEAZ-UHFFFAOYSA-N 1 0 293.367 1.798 20 5 CDBDRO CC[C@@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122713214 1175244090 /nfs/dbraw/zinc/24/40/90/1175244090.db2.gz HFSSUBQSFVYZDP-NEPJUHHUSA-N 1 0 281.360 1.159 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@]2(C)CCOC2)c1[N+](=O)[O-] ZINC000893240703 617483145 /nfs/dbraw/zinc/48/31/45/617483145.db2.gz GZGXXGLDUCECMW-CYBMUJFWSA-N 1 0 282.296 1.578 20 5 CDBDRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925640753 617584719 /nfs/dbraw/zinc/58/47/19/617584719.db2.gz IZHGLECCDFBRRC-YPMHNXCESA-N 1 0 291.351 1.784 20 5 CDBDRO COc1c(O)ccc(C[NH2+]CC[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000893531539 618044152 /nfs/dbraw/zinc/04/41/52/618044152.db2.gz KTFNTYHYTXBOPL-JTQLQIEISA-N 1 0 296.323 1.825 20 5 CDBDRO COc1c(O)ccc(C[NH2+]C[C@@H](OC)C2CC2)c1[N+](=O)[O-] ZINC000894631597 618997963 /nfs/dbraw/zinc/99/79/63/618997963.db2.gz IGVHQIMBVKGHJP-GFCCVEGCSA-N 1 0 296.323 1.824 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H](O)C2CC2)cc1 ZINC000898207062 621363262 /nfs/dbraw/zinc/36/32/62/621363262.db2.gz ZHLJYGQGRYQIPC-CYBMUJFWSA-N 1 0 250.298 1.845 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](C)CC2)c1C ZINC000899934823 622553356 /nfs/dbraw/zinc/55/33/56/622553356.db2.gz IQNLQOGHVVXGAD-UHFFFAOYSA-N 1 0 291.351 1.989 20 5 CDBDRO O=[N+]([O-])CC[NH2+]Cc1ccc(O)c(Br)c1 ZINC000905175978 626680005 /nfs/dbraw/zinc/68/00/05/626680005.db2.gz JKCUEQQOILUUTK-UHFFFAOYSA-N 1 0 275.102 1.521 20 5 CDBDRO COc1ccccc1C1(C[NH2+]CC[N+](=O)[O-])CC1 ZINC000905084010 626602203 /nfs/dbraw/zinc/60/22/03/626602203.db2.gz YPZLMKCOXWOYQX-UHFFFAOYSA-N 1 0 250.298 1.593 20 5 CDBDRO C[C@@H](C[NH2+]CC[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC000905135990 626649939 /nfs/dbraw/zinc/64/99/39/626649939.db2.gz OXEIORLIGJZSQK-VIFPVBQESA-N 1 0 258.705 1.974 20 5 CDBDRO CN(C)c1ccc(N2CCC([NH2+]CC[N+](=O)[O-])CC2)cc1 ZINC000905140715 626653712 /nfs/dbraw/zinc/65/37/12/626653712.db2.gz VQVBVEQRHGPRJI-UHFFFAOYSA-N 1 0 292.383 1.588 20 5 CDBDRO CC(C)(CO)[C@H](C[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000905178709 626663044 /nfs/dbraw/zinc/66/30/44/626663044.db2.gz CIXLIFLQFYTRHB-CYBMUJFWSA-N 1 0 266.341 1.655 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000905189272 626668046 /nfs/dbraw/zinc/66/80/46/626668046.db2.gz HILVHARQYBUKNI-VIFPVBQESA-N 1 0 287.722 1.924 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000905352079 626763840 /nfs/dbraw/zinc/76/38/40/626763840.db2.gz BTNSJCNVWIRUIZ-JTQLQIEISA-N 1 0 279.123 1.893 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841102686 630624631 /nfs/dbraw/zinc/62/46/31/630624631.db2.gz IPMDMNUUXJXMCE-LURJTMIESA-N 1 0 272.692 1.717 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889840403 630782807 /nfs/dbraw/zinc/78/28/07/630782807.db2.gz IFKAIPHYIJFFSB-UHFFFAOYSA-N 1 0 293.323 1.935 20 5 CDBDRO O=[N+]([O-])c1ccnn1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000153464681 631644899 /nfs/dbraw/zinc/64/48/99/631644899.db2.gz DZNIOIODYNNXGJ-CYBMUJFWSA-N 1 0 293.371 1.699 20 5 CDBDRO O=C(OCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])o1 ZINC000849185398 685262184 /nfs/dbraw/zinc/26/21/84/685262184.db2.gz PFEQMLNFBWLCDT-UHFFFAOYSA-N 1 0 268.269 1.831 20 5 CDBDRO CC(C)(CCc1noc(CC2([NH3+])CCC2)n1)[N+](=O)[O-] ZINC000843234443 685323088 /nfs/dbraw/zinc/32/30/88/685323088.db2.gz UCOODOYPUYVBAD-UHFFFAOYSA-N 1 0 268.317 1.481 20 5 CDBDRO CCC[C@@]1(CO)CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886208984 685356694 /nfs/dbraw/zinc/35/66/94/685356694.db2.gz BTHQORACSKALBD-CQSZACIVSA-N 1 0 279.340 1.974 20 5 CDBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000063055025 685393121 /nfs/dbraw/zinc/39/31/21/685393121.db2.gz CSSYZGMDORMDFO-UHFFFAOYSA-N 1 0 292.339 1.345 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc(N)cc1[N+](=O)[O-] ZINC000817131872 685472803 /nfs/dbraw/zinc/47/28/03/685472803.db2.gz SXTSAZLLYZJHSZ-NSHDSACASA-N 1 0 264.329 1.707 20 5 CDBDRO Nc1ccc(-c2noc([C@]3(F)CC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000843169944 685471123 /nfs/dbraw/zinc/47/11/23/685471123.db2.gz WQQVMNHDWBFQSK-LBPRGKRZSA-N 1 0 293.258 1.385 20 5 CDBDRO C[C@@H](NC[C@H]1C[NH2+]CCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817981251 685593385 /nfs/dbraw/zinc/59/33/85/685593385.db2.gz HWPPXWBECUGENA-ZYHUDNBSSA-N 1 0 294.355 1.206 20 5 CDBDRO Cc1cc(NC[C@@H](O)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000717384752 684315017 /nfs/dbraw/zinc/31/50/17/684315017.db2.gz LCRMQZJCKWUPTB-LLVKDONJSA-N 1 0 253.302 1.238 20 5 CDBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000128463099 684324758 /nfs/dbraw/zinc/32/47/58/684324758.db2.gz OTLLJEMWFUZVGC-RYUDHWBXSA-N 1 0 268.288 1.983 20 5 CDBDRO Cc1ccc(CNC(=O)[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000867996055 684357120 /nfs/dbraw/zinc/35/71/20/684357120.db2.gz ORNBCDHBKLVAMK-AWEZNQCLSA-N 1 0 277.324 1.519 20 5 CDBDRO C[C@H]([NH2+]C[C@@H]1CCC(=O)O1)c1ccc([N+](=O)[O-])cc1 ZINC000852096724 684366024 /nfs/dbraw/zinc/36/60/24/684366024.db2.gz NIXKUADEVBGALO-CABZTGNLSA-N 1 0 264.281 1.951 20 5 CDBDRO C[C@@H](O)CC[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279842 684370539 /nfs/dbraw/zinc/37/05/39/684370539.db2.gz YIGKCOGPZFAXKK-MFKMUULPSA-N 1 0 268.313 1.331 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCN(OC)CC1 ZINC000924951101 684448808 /nfs/dbraw/zinc/44/88/08/684448808.db2.gz BPOWFUWZFCLGKN-UHFFFAOYSA-N 1 0 295.339 1.719 20 5 CDBDRO C[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1CO ZINC000886162643 684451646 /nfs/dbraw/zinc/45/16/46/684451646.db2.gz VBZOBRQBJTWJME-KOLCDFICSA-N 1 0 251.286 1.193 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000872320189 684507449 /nfs/dbraw/zinc/50/74/49/684507449.db2.gz MGSYQLXGYUFZSE-SCRDCRAPSA-N 1 0 278.308 1.206 20 5 CDBDRO Cc1c(CC(=O)N(C)C[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000877106311 684533831 /nfs/dbraw/zinc/53/38/31/684533831.db2.gz QOKNJNUSGXHSQB-SECBINFHSA-N 1 0 265.313 1.251 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000877493638 684608169 /nfs/dbraw/zinc/60/81/69/684608169.db2.gz NDDDXJVEVFHUPW-OAHLLOKOSA-N 1 0 291.351 1.909 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000886217818 684621532 /nfs/dbraw/zinc/62/15/32/684621532.db2.gz IEXDLANBJCGUQV-LBPRGKRZSA-N 1 0 277.324 1.869 20 5 CDBDRO CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000923361701 684671084 /nfs/dbraw/zinc/67/10/84/684671084.db2.gz KYKDSTQQALHEDP-KGPNIALWSA-N 1 0 265.313 1.050 20 5 CDBDRO Cc1c(CC(=O)N[C@H]2C[C@H]([NH3+])C2(C)C)cccc1[N+](=O)[O-] ZINC000884360177 684714820 /nfs/dbraw/zinc/71/48/20/684714820.db2.gz WOCPEYOOUSRUKS-STQMWFEESA-N 1 0 291.351 1.688 20 5 CDBDRO [NH3+]C1CCC(NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000091843165 684753994 /nfs/dbraw/zinc/75/39/94/684753994.db2.gz NRMUETJVYLKHJS-UHFFFAOYSA-N 1 0 269.326 1.656 20 5 CDBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000796201209 684788285 /nfs/dbraw/zinc/78/82/85/684788285.db2.gz GCZPHOHFAJUSPM-KGLIPLIRSA-N 1 0 280.324 1.739 20 5 CDBDRO O=C1CCCN1CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000846081720 684805716 /nfs/dbraw/zinc/80/57/16/684805716.db2.gz MATLAJOBCFQPQK-UHFFFAOYSA-N 1 0 297.742 1.960 20 5 CDBDRO Cc1ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000714037316 684819134 /nfs/dbraw/zinc/81/91/34/684819134.db2.gz RZYOKAYXXCKWHS-JSGCOSHPSA-N 1 0 280.324 1.078 20 5 CDBDRO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000778256247 684839453 /nfs/dbraw/zinc/83/94/53/684839453.db2.gz ZJNLRZHIHIOUQT-SWHYSGLUSA-N 1 0 280.324 1.331 20 5 CDBDRO C[C@@H](CCCO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843079706 684847303 /nfs/dbraw/zinc/84/73/03/684847303.db2.gz LXOSGLJQSNSKHW-GXFFZTMASA-N 1 0 268.313 1.379 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000930518523 684886801 /nfs/dbraw/zinc/88/68/01/684886801.db2.gz ACFVSQVLNOYIAO-AWEZNQCLSA-N 1 0 276.336 1.947 20 5 CDBDRO CC1(C)OC[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000819155063 684952563 /nfs/dbraw/zinc/95/25/63/684952563.db2.gz MOHWTKATDANIDD-QWHCGFSZSA-N 1 0 296.323 1.369 20 5 CDBDRO CCCCNC(=[NH2+])NCCOc1ccc([N+](=O)[O-])cc1 ZINC000849007217 684972895 /nfs/dbraw/zinc/97/28/95/684972895.db2.gz BVRUCMFOFSQZRK-UHFFFAOYSA-N 1 0 280.328 1.888 20 5 CDBDRO CC(C)C[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+](C)C ZINC000823298775 684995652 /nfs/dbraw/zinc/99/56/52/684995652.db2.gz YAGSJMKBQHNGBX-GFCCVEGCSA-N 1 0 287.404 1.914 20 5 CDBDRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929633460 685043441 /nfs/dbraw/zinc/04/34/41/685043441.db2.gz XDNOPTSHJKAOEB-NSHDSACASA-N 1 0 271.361 1.137 20 5 CDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cn2cc([N+](=O)[O-])cn2)C1 ZINC000246205845 685735116 /nfs/dbraw/zinc/73/51/16/685735116.db2.gz BLAVCNOPPHACSK-WCQYABFASA-N 1 0 279.344 1.165 20 5 CDBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1O ZINC000879142657 685746475 /nfs/dbraw/zinc/74/64/75/685746475.db2.gz ZODIYXWODLNROO-KFWWJZLASA-N 1 0 294.351 1.864 20 5 CDBDRO CC[C@H](CCO)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158664312 685770702 /nfs/dbraw/zinc/77/07/02/685770702.db2.gz NJLQZZVTZBVQOR-RISCZKNCSA-N 1 0 282.340 1.626 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H]2CCO)c1 ZINC000778267221 685795629 /nfs/dbraw/zinc/79/56/29/685795629.db2.gz CECLBYOSBOVYNC-JSGCOSHPSA-N 1 0 280.324 1.475 20 5 CDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[NH+](C)C ZINC000843749535 685858791 /nfs/dbraw/zinc/85/87/91/685858791.db2.gz KSDRXMYZTDBCSO-UHFFFAOYSA-N 1 0 269.276 1.334 20 5 CDBDRO Cc1cc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000819297276 685877386 /nfs/dbraw/zinc/87/73/86/685877386.db2.gz NQNGYCPZMOVAER-AWEZNQCLSA-N 1 0 290.323 1.460 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)C(=O)NCCF ZINC000873123128 685925987 /nfs/dbraw/zinc/92/59/87/685925987.db2.gz ZAHUWZXMSZZJOR-LLVKDONJSA-N 1 0 297.330 1.775 20 5 CDBDRO CN(Cc1cccnc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+]1C ZINC000886251349 685946646 /nfs/dbraw/zinc/94/66/46/685946646.db2.gz AQWBVDAUYBWNQL-LBPRGKRZSA-N 1 0 264.329 1.516 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834906840 685964566 /nfs/dbraw/zinc/96/45/66/685964566.db2.gz HROPHKRACOJUBO-DVVUODLYSA-N 1 0 292.339 1.482 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000930322742 686040689 /nfs/dbraw/zinc/04/06/89/686040689.db2.gz AYHPJJDZKPBYLR-CYBMUJFWSA-N 1 0 250.298 1.077 20 5 CDBDRO C[NH2+]CCCNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000884014002 686144734 /nfs/dbraw/zinc/14/47/34/686144734.db2.gz YCMMEDYMSWVGFQ-UHFFFAOYSA-N 1 0 265.313 1.551 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCC[NH+](C)C)cc1Cl ZINC000836192664 686413253 /nfs/dbraw/zinc/41/32/53/686413253.db2.gz GNPCPRPMNYGUDI-UHFFFAOYSA-N 1 0 285.731 1.848 20 5 CDBDRO COC[C@@H](CCO)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873058519 686529415 /nfs/dbraw/zinc/52/94/15/686529415.db2.gz PVHVKCQHPAXYGA-GFCCVEGCSA-N 1 0 282.340 1.699 20 5 CDBDRO CC(C)(C)[C@@H]([NH3+])CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000136944505 686860280 /nfs/dbraw/zinc/86/02/80/686860280.db2.gz XXUBHLAUUFFDFY-LBPRGKRZSA-N 1 0 279.340 1.975 20 5 CDBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000044215381 687036411 /nfs/dbraw/zinc/03/64/11/687036411.db2.gz DOEKWUUYEZSKJW-UHFFFAOYSA-N 1 0 279.296 1.544 20 5 CDBDRO Cn1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819196236 687039375 /nfs/dbraw/zinc/03/93/75/687039375.db2.gz FFMYFLPSHYJNNN-CYBMUJFWSA-N 1 0 276.296 1.152 20 5 CDBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000870977578 687123993 /nfs/dbraw/zinc/12/39/93/687123993.db2.gz QETXZZPOGBYICI-LMKPVCQUSA-N 1 0 289.335 1.855 20 5 CDBDRO [NH3+][C@@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843345303 687154579 /nfs/dbraw/zinc/15/45/79/687154579.db2.gz YNDNCSLWUZMPJY-MRVPVSSYSA-N 1 0 298.730 1.220 20 5 CDBDRO CN1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1=O ZINC000783611090 687173044 /nfs/dbraw/zinc/17/30/44/687173044.db2.gz QRTLWLKLZLHHKG-VIFPVBQESA-N 1 0 283.715 1.569 20 5 CDBDRO CN(CC[NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233420 687179106 /nfs/dbraw/zinc/17/91/06/687179106.db2.gz UAGTVKSASVRDMM-UHFFFAOYSA-N 1 0 272.692 1.671 20 5 CDBDRO CC(C)NC(=O)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818951396 687225237 /nfs/dbraw/zinc/22/52/37/687225237.db2.gz DQDHIBCXWNLEQZ-CYBMUJFWSA-N 1 0 295.339 1.133 20 5 CDBDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000794966629 687242189 /nfs/dbraw/zinc/24/21/89/687242189.db2.gz GKSMPEMLJGQYKX-ITGUQSILSA-N 1 0 276.292 1.446 20 5 CDBDRO CON1CCC([N@H+](C)Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886241272 687351562 /nfs/dbraw/zinc/35/15/62/687351562.db2.gz TVZUVKIGGRPEPS-UHFFFAOYSA-N 1 0 280.328 1.447 20 5 CDBDRO C[C@@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[NH+](C)C ZINC000854497279 687393248 /nfs/dbraw/zinc/39/32/48/687393248.db2.gz MFYHMNIPDRGPTK-ZETCQYMHSA-N 1 0 252.274 1.066 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000931719062 687402239 /nfs/dbraw/zinc/40/22/39/687402239.db2.gz HQQNYZIPFCPKMW-QWHCGFSZSA-N 1 0 293.371 1.268 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000882961728 687449135 /nfs/dbraw/zinc/44/91/35/687449135.db2.gz WDKJVXKSVLTGEG-LLVKDONJSA-N 1 0 292.339 1.461 20 5 CDBDRO CN1CC[C@H]1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000922574304 687530706 /nfs/dbraw/zinc/53/07/06/687530706.db2.gz LBUFCDORQZLKSC-NSHDSACASA-N 1 0 293.323 1.160 20 5 CDBDRO COC(=O)N(C)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850548631 687556909 /nfs/dbraw/zinc/55/69/09/687556909.db2.gz WRHRQQZKWBLFLU-VIFPVBQESA-N 1 0 296.327 1.526 20 5 CDBDRO O=[N+]([O-])CC[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000798196686 687610040 /nfs/dbraw/zinc/61/00/40/687610040.db2.gz MCGVDWPTSLQCQI-ZDUSSCGKSA-N 1 0 272.345 1.313 20 5 CDBDRO COC[C@H](C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)OC ZINC000873101205 687852459 /nfs/dbraw/zinc/85/24/59/687852459.db2.gz BLDSMNGQIMUWDB-LBPRGKRZSA-N 1 0 282.340 1.963 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000706538954 687894486 /nfs/dbraw/zinc/89/44/86/687894486.db2.gz LPRIWXNRBNPTMP-VIFPVBQESA-N 1 0 283.715 1.682 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000700626418 688017680 /nfs/dbraw/zinc/01/76/80/688017680.db2.gz UKTNWNZDFZUVCQ-VIFPVBQESA-N 1 0 283.715 1.682 20 5 CDBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000843451007 688036920 /nfs/dbraw/zinc/03/69/20/688036920.db2.gz IAWXQCSOEBIBDD-PBINXNQUSA-N 1 0 278.312 1.407 20 5 CDBDRO Cc1c(C)c(N2CCC[C@@H]([NH3+])[C@@H]2C)ncc1[N+](=O)[O-] ZINC001157744834 1162385331 /nfs/dbraw/zinc/38/53/31/1162385331.db2.gz YMSDYQCKLCPDMK-WDEREUQCSA-N 1 0 264.329 1.923 20 5 CDBDRO CCOC(=O)c1ccnc(NC2(CC)C[NH2+]C2)c1[N+](=O)[O-] ZINC001157788208 1162423034 /nfs/dbraw/zinc/42/30/34/1162423034.db2.gz VKTYIQSHHNOSRV-UHFFFAOYSA-N 1 0 294.311 1.330 20 5 CDBDRO C[C@@]([NH3+])(C(=O)NCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000867948233 1164886496 /nfs/dbraw/zinc/88/64/96/1164886496.db2.gz QOCVSBKDLBLGCS-AWEZNQCLSA-N 1 0 277.324 1.685 20 5 CDBDRO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cc(F)ccc1[N+](=O)[O-] ZINC000037669479 1165783022 /nfs/dbraw/zinc/78/30/22/1165783022.db2.gz QYIGXAYERKKENS-GFCCVEGCSA-N 1 0 293.298 1.558 20 5 CDBDRO CC1(C)[C@H](C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000876578598 1165874195 /nfs/dbraw/zinc/87/41/95/1165874195.db2.gz UDSGRGMDBZFJMR-RYUDHWBXSA-N 1 0 277.324 1.584 20 5 CDBDRO C[C@]([NH3+])(C(=O)NCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC001576085529 1171328520 /nfs/dbraw/zinc/32/85/20/1171328520.db2.gz LAYSMGXFZOHFBK-CQSZACIVSA-N 1 0 289.291 1.678 20 5 CDBDRO COCC[C@@H]([NH3+])CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001579004176 1172077276 /nfs/dbraw/zinc/07/72/76/1172077276.db2.gz RHDJUCYBCDEEGA-ZYHUDNBSSA-N 1 0 267.329 1.609 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1CN(C1CCC1)C1C[NH2+]C1 ZINC001579179993 1172111642 /nfs/dbraw/zinc/11/16/42/1172111642.db2.gz LMBVTIWYTYRTJM-UHFFFAOYSA-N 1 0 291.351 1.930 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])n1 ZINC001579642382 1172232992 /nfs/dbraw/zinc/23/29/92/1172232992.db2.gz CQGZGKLBLSNXSX-ZANVPECISA-N 1 0 292.339 1.498 20 5 CDBDRO Cn1cc([N+](=O)[O-])c(N2CC[C@@](C[NH3+])(C(C)(C)C)C2)n1 ZINC001579970494 1172312462 /nfs/dbraw/zinc/31/24/62/1172312462.db2.gz XZTVROPOVRNOJD-ZDUSSCGKSA-N 1 0 281.360 1.530 20 5 CDBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC001580253149 1172384550 /nfs/dbraw/zinc/38/45/50/1172384550.db2.gz IFCVIYBJCHUTJI-OTYXRUKQSA-N 1 0 290.323 1.130 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)[C@@H]1CCC[NH2+]1 ZINC001580770745 1172535556 /nfs/dbraw/zinc/53/55/56/1172535556.db2.gz QHRVTWFKKDMPLE-NSHDSACASA-N 1 0 286.291 1.834 20 5 CDBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[NH2+][C@H]2C[C@H]21 ZINC001580812977 1172547606 /nfs/dbraw/zinc/54/76/06/1172547606.db2.gz IKHZZOKZEQXHQF-WDEREUQCSA-N 1 0 287.275 1.527 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000237171372 1178578539 /nfs/dbraw/zinc/57/85/39/1178578539.db2.gz PPEFVQQTMQPMRM-QMMMGPOBSA-N 1 0 285.731 1.834 20 5 CDBDRO CN(c1ccc2[nH]cc([N+](=O)[O-])c2n1)C(C)(C)C[NH3+] ZINC001159055727 1164040850 /nfs/dbraw/zinc/04/08/50/1164040850.db2.gz RLNFVQZPMFIAPY-UHFFFAOYSA-N 1 0 263.301 1.645 20 5 CDBDRO Cc1nc(N(C)CC2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000297031799 721938510 /nfs/dbraw/zinc/93/85/10/721938510.db2.gz HJBXHVKASCPTMD-UHFFFAOYSA-N 1 0 279.344 1.471 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@H](CO)C1 ZINC001173215970 912296679 /nfs/dbraw/zinc/29/66/79/912296679.db2.gz GKSUTCZOLXIPKC-RTXFEEFZSA-N 1 0 264.325 1.886 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1C[C@H](O)C1 ZINC001173218122 912302165 /nfs/dbraw/zinc/30/21/65/912302165.db2.gz OJYZLOGSESLNSE-MPKXVKKWSA-N 1 0 264.325 1.886 20 5 CDBDRO CNC(=O)C[N@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173229412 912320017 /nfs/dbraw/zinc/32/00/17/912320017.db2.gz UQHOFXVHUUCLQI-JTQLQIEISA-N 1 0 265.313 1.204 20 5 CDBDRO CC(=O)OCC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173229619 912323187 /nfs/dbraw/zinc/32/31/87/912323187.db2.gz OASHTJUOPXUUFZ-SNVBAGLBSA-N 1 0 266.297 1.679 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCC(=O)NC1 ZINC001173234312 912324245 /nfs/dbraw/zinc/32/42/45/912324245.db2.gz OEEJOSWYDDUFAC-YPMHNXCESA-N 1 0 291.351 1.784 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1COC(=O)C1 ZINC001173234315 912325977 /nfs/dbraw/zinc/32/59/77/912325977.db2.gz OEKWWJAELCPSEC-GXSJLCMTSA-N 1 0 264.281 1.431 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(C)OCC[NH3+] ZINC001173234874 912333432 /nfs/dbraw/zinc/33/34/32/912333432.db2.gz QMXCILYNBITPHZ-SNVBAGLBSA-N 1 0 253.302 1.348 20 5 CDBDRO CC1(C)C[C@@H](CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])O1 ZINC001168452519 913427207 /nfs/dbraw/zinc/42/72/07/913427207.db2.gz IHQXDNROVWKAES-VIFPVBQESA-N 1 0 293.327 1.051 20 5 CDBDRO [NH3+]Cc1cnc2c(ccn2-c2cnc([N+](=O)[O-])cn2)c1 ZINC001167313378 895227551 /nfs/dbraw/zinc/22/75/51/895227551.db2.gz KCNRAJROUREAOE-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO C/C=C(\C)C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001125437572 895486116 /nfs/dbraw/zinc/48/61/16/895486116.db2.gz JDGSLNHACZEDAK-QDEBKDIKSA-N 1 0 277.324 1.767 20 5 CDBDRO CC[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])c(N)n2)CC1 ZINC000167810622 897344380 /nfs/dbraw/zinc/34/43/80/897344380.db2.gz AXFSFVRQMHKYMX-UHFFFAOYSA-N 1 0 279.344 1.493 20 5 CDBDRO Cc1nc(N2CC3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC000709791789 901810603 /nfs/dbraw/zinc/81/06/03/901810603.db2.gz XWGBIDWXUNIQGC-UHFFFAOYSA-N 1 0 262.313 1.488 20 5 CDBDRO Cc1c(NC(=N)SCC[NH3+])ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001167915382 902211780 /nfs/dbraw/zinc/21/17/80/902211780.db2.gz UEKKGCJWKPCKIM-UHFFFAOYSA-N 1 0 299.312 1.850 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N(C)C(C)(C)C[NH3+])n1 ZINC000714239476 906803613 /nfs/dbraw/zinc/80/36/13/906803613.db2.gz LOKLJYBFHXCNJM-UHFFFAOYSA-N 1 0 254.290 1.172 20 5 CDBDRO Cc1c(F)cnc(N[C@H]2C[NH2+]CC[C@H]2F)c1[N+](=O)[O-] ZINC001168226698 907943885 /nfs/dbraw/zinc/94/38/85/907943885.db2.gz FFMUCMGFBFPEOV-APPZFPTMSA-N 1 0 272.255 1.549 20 5 CDBDRO Cc1c(-n2cc(C[NH3+])cn2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001168262122 908012446 /nfs/dbraw/zinc/01/24/46/908012446.db2.gz LVEPLXXJXKACIQ-UHFFFAOYSA-N 1 0 277.240 1.456 20 5 CDBDRO [NH3+]CC1(N[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)COC1 ZINC001172901158 912038837 /nfs/dbraw/zinc/03/88/37/912038837.db2.gz KFASPJNGAXMKEU-CYBMUJFWSA-N 1 0 291.351 1.160 20 5 CDBDRO CN(OCC[NH3+])[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172913518 912103724 /nfs/dbraw/zinc/10/37/24/912103724.db2.gz WQNRHYQLHRKOFP-ZDUSSCGKSA-N 1 0 279.340 1.664 20 5 CDBDRO [NH3+]C1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC001328189753 936607493 /nfs/dbraw/zinc/60/74/93/936607493.db2.gz JZLLGGZHRXQUBJ-UHFFFAOYSA-N 1 0 261.281 1.318 20 5 CDBDRO COC(=O)N(C)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000689568689 936769251 /nfs/dbraw/zinc/76/92/51/936769251.db2.gz FVUBGHVBCCFJTJ-UHFFFAOYSA-N 1 0 281.312 1.425 20 5 CDBDRO CN(C)/C=C/c1cc(-n2nccc2C[NH3+])ncc1[N+](=O)[O-] ZINC001155124803 926568022 /nfs/dbraw/zinc/56/80/22/926568022.db2.gz OBRBZNMJWNHOTK-GQCTYLIASA-N 1 0 288.311 1.167 20 5 CDBDRO [NH3+]Cc1ccc2ncn(-c3ncc([N+](=O)[O-])cn3)c2c1 ZINC001168838972 927482669 /nfs/dbraw/zinc/48/26/69/927482669.db2.gz RZLNFLZTIXZVKS-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1-n1cc(CC[NH3+])cn1 ZINC001168948801 927554417 /nfs/dbraw/zinc/55/44/17/927554417.db2.gz BOXNBGZGUSQCHD-UHFFFAOYSA-N 1 0 290.279 1.068 20 5 CDBDRO O=C(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)Nc1ccccc1 ZINC001168976981 927563053 /nfs/dbraw/zinc/56/30/53/927563053.db2.gz GNHWWXHTDXZSTF-AAEUAGOBSA-N 1 0 277.324 1.660 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2ncccn2)C1 ZINC001168982764 927570710 /nfs/dbraw/zinc/57/07/10/927570710.db2.gz IYTNOHGRUVAYQM-GHMZBOCLSA-N 1 0 250.302 1.054 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H](CO)Cc2ccccc2)C1 ZINC001168983299 927571619 /nfs/dbraw/zinc/57/16/19/927571619.db2.gz JICDMSHAUOBZPA-OWCLPIDISA-N 1 0 292.379 1.873 20 5 CDBDRO Cc1c(CC[NH3+])c(=O)[nH]n1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168984358 927572219 /nfs/dbraw/zinc/57/22/19/927572219.db2.gz MJXJOKBQBVBIAU-NXEZZACHSA-N 1 0 268.317 1.016 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(c3ncccn3)C2)C1 ZINC001168956337 927578396 /nfs/dbraw/zinc/57/83/96/927578396.db2.gz DQTIZPZAYSJKAX-UPJWGTAASA-N 1 0 291.355 1.090 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)C1 ZINC001168959972 927580094 /nfs/dbraw/zinc/58/00/94/927580094.db2.gz YJWJQLGORPJTLA-QWHCGFSZSA-N 1 0 292.335 1.993 20 5 CDBDRO C[C@@]1(O)CC[C@@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168960602 927580342 /nfs/dbraw/zinc/58/03/42/927580342.db2.gz FSDDBPPQPJNWCH-CYDGBPFRSA-N 1 0 256.346 1.715 20 5 CDBDRO CN(C(=O)CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC1 ZINC001168963189 927584788 /nfs/dbraw/zinc/58/47/88/927584788.db2.gz OOVPRIHUIKQCSH-GHMZBOCLSA-N 1 0 269.345 1.032 20 5 CDBDRO CSCC[C@@H](CO)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168965536 927589024 /nfs/dbraw/zinc/58/90/24/927589024.db2.gz ALIOFWGHAXBJPK-AXFHLTTASA-N 1 0 262.375 1.135 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC001168965988 927589047 /nfs/dbraw/zinc/58/90/47/927589047.db2.gz FJSTYOMYUMNCTP-ZIAGYGMSSA-N 1 0 264.325 1.714 20 5 CDBDRO Cc1cc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)nn1C ZINC001168973880 927596075 /nfs/dbraw/zinc/59/60/75/927596075.db2.gz PGRYLQSZYIMRTG-QWRGUYRKSA-N 1 0 252.318 1.264 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CN(c3ccccn3)C2)C1 ZINC001168994570 927600502 /nfs/dbraw/zinc/60/05/02/927600502.db2.gz PXAXKPYTJSLHDV-RYUDHWBXSA-N 1 0 276.340 1.305 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc3ccccn3n2)C1 ZINC001169001654 927605108 /nfs/dbraw/zinc/60/51/08/927605108.db2.gz HDZUWJXBLDDONW-VXGBXAGGSA-N 1 0 274.324 1.869 20 5 CDBDRO CN1CCC[C@](C)([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169006765 927611829 /nfs/dbraw/zinc/61/18/29/927611829.db2.gz YVXWUZDVENAVCR-AGIUHOORSA-N 1 0 255.362 1.506 20 5 CDBDRO COC(=O)[C@]1(C)CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169034237 927640835 /nfs/dbraw/zinc/64/08/35/927640835.db2.gz GHFDXUOJYCXTLA-SGMGOOAPSA-N 1 0 284.356 1.707 20 5 CDBDRO COC(=O)C[C@@H]1CCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035995 927645185 /nfs/dbraw/zinc/64/51/85/927645185.db2.gz DZYZEOSMWPANCU-WOPDTQHZSA-N 1 0 270.329 1.459 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[NH+]3CCC2CC3)C1 ZINC001169036586 927646398 /nfs/dbraw/zinc/64/63/98/927646398.db2.gz GVLIAGVTFFDZBI-YPMHNXCESA-N 1 0 253.346 1.212 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H](N2CC[NH+](C3CCOCC3)CC2)C1 ZINC001169024378 927662320 /nfs/dbraw/zinc/66/23/20/927662320.db2.gz GWBDQDQZCIMOMZ-DZGCQCFKSA-N 1 0 297.399 1.228 20 5 CDBDRO CC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCOCC1 ZINC001169026951 927666187 /nfs/dbraw/zinc/66/61/87/927666187.db2.gz ONXLDMPITKSUJJ-YPMHNXCESA-N 1 0 256.346 1.933 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1-n1ccc([C@H](C)[NH3+])n1 ZINC001169231552 927840428 /nfs/dbraw/zinc/84/04/28/927840428.db2.gz MLOHTXJJWOUAOK-ZETCQYMHSA-N 1 0 263.257 1.204 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1NC[C@H]1COCC[NH2+]1 ZINC001170045675 929142173 /nfs/dbraw/zinc/14/21/73/929142173.db2.gz UHBZEGVLBBKPBD-LBPRGKRZSA-N 1 0 279.340 1.920 20 5 CDBDRO OC[C@H]1C[NH2+]C[C@@H]1Nc1ncnc2cc3ccccc3cc21 ZINC001170780177 929968947 /nfs/dbraw/zinc/96/89/47/929968947.db2.gz SHJHFIRQCAJAEU-CJNGLKHVSA-N 1 0 294.358 1.775 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@@H]2C[NH2+]C[C@@H]2CO)cc2ccccc21 ZINC001170789911 930036399 /nfs/dbraw/zinc/03/63/99/930036399.db2.gz ROVPZONQCVFYLQ-BXUZGUMPSA-N 1 0 287.319 1.740 20 5 CDBDRO C[C@@H](Nc1cc(Cl)ncc1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001159498902 930309702 /nfs/dbraw/zinc/30/97/02/930309702.db2.gz RYVVDTJMOJRQIS-GMSGAONNSA-N 1 0 286.719 1.432 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001159743294 930783529 /nfs/dbraw/zinc/78/35/29/930783529.db2.gz HTMQYYCBBHOFBU-CYBMUJFWSA-N 1 0 276.296 1.612 20 5 CDBDRO CCOC(=O)CN(CC[NH3+])c1cc([N+](=O)[O-])cc(F)c1C ZINC001170996590 931214633 /nfs/dbraw/zinc/21/46/33/931214633.db2.gz UUAYQJUDNWEJSC-UHFFFAOYSA-N 1 0 299.302 1.371 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C/C=C/C1CC1 ZINC001118156122 937596968 /nfs/dbraw/zinc/59/69/68/937596968.db2.gz QZACFGVBZLNUIF-ITDFMYJTSA-N 1 0 292.335 1.890 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2C[C@H](F)C[NH2+]2)c(Cl)c1 ZINC001155029432 937623073 /nfs/dbraw/zinc/62/30/73/937623073.db2.gz MBFNQQMSPYPUTF-BQBZGAKWSA-N 1 0 274.683 1.755 20 5 CDBDRO O=[N+]([O-])c1ccnc(-n2cncc2C2CC[NH2+]CC2)c1 ZINC001155052785 937627430 /nfs/dbraw/zinc/62/74/30/937627430.db2.gz GHQBZCTYMAHGBJ-UHFFFAOYSA-N 1 0 273.296 1.643 20 5 CDBDRO C[C@@H]1C[C@@H](CNc2nc(Cl)ncc2[N+](=O)[O-])C[NH2+]1 ZINC001155094810 937633512 /nfs/dbraw/zinc/63/35/12/937633512.db2.gz CXWIXPSSGUSJMZ-RNFRBKRXSA-N 1 0 271.708 1.448 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001155915388 937688489 /nfs/dbraw/zinc/68/84/89/937688489.db2.gz TZOUYWDBHQMZEP-SECBINFHSA-N 1 0 275.312 1.900 20 5 CDBDRO C[C@@]([NH3+])(C(=O)N[C@@H]1C=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC001119056436 937692259 /nfs/dbraw/zinc/69/22/59/937692259.db2.gz QSAPRZYZLFYWBP-DOMZBBRYSA-N 1 0 289.335 1.994 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001120466927 937801085 /nfs/dbraw/zinc/80/10/85/937801085.db2.gz GJKBGGSIUFPDAE-ZJUUUORDSA-N 1 0 280.328 1.563 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001122309349 937920420 /nfs/dbraw/zinc/92/04/20/937920420.db2.gz QOQARPYETVKWKY-MGCOHNPYSA-N 1 0 263.297 1.370 20 5 CDBDRO CC(F)(F)C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001122517397 937938902 /nfs/dbraw/zinc/93/89/02/937938902.db2.gz ZQIWYWHRSSKCEO-UHFFFAOYSA-N 1 0 287.266 1.456 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1nc(Cl)c(C)cc1[N+](=O)[O-] ZINC001156039220 938312919 /nfs/dbraw/zinc/31/29/19/938312919.db2.gz PPGPFNSBWJGYNT-UHFFFAOYSA-N 1 0 281.703 1.904 20 5 CDBDRO Cc1cc(Cl)nc(N2CC[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC001156689154 938404518 /nfs/dbraw/zinc/40/45/18/938404518.db2.gz NRRDTEPLQBAKIK-MRVPVSSYSA-N 1 0 270.720 1.750 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(-n2ccc(CC[NH3+])n2)n1 ZINC001156898735 938431506 /nfs/dbraw/zinc/43/15/06/938431506.db2.gz TUEZKEPLTIGRIT-UHFFFAOYSA-N 1 0 282.691 1.034 20 5 CDBDRO COc1cc(C)nc(N(C)[C@@]2(C)CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001156957211 938438956 /nfs/dbraw/zinc/43/89/56/938438956.db2.gz UVKXEYVJKQSEGL-AWEZNQCLSA-N 1 0 294.355 1.885 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@H]2C[C@H](F)C2)nc1C1C[NH2+]C1 ZINC001157458066 938495412 /nfs/dbraw/zinc/49/54/12/938495412.db2.gz UOQVXEQSORASHH-XWEPSHTISA-N 1 0 281.291 1.232 20 5 CDBDRO CC(C)[NH+]1CC(Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)C1 ZINC001157530878 938505457 /nfs/dbraw/zinc/50/54/57/938505457.db2.gz GXBRNBNEOQSMHA-UHFFFAOYSA-N 1 0 275.312 1.976 20 5 CDBDRO C[C@H]1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)C[C@H](C)[NH2+]1 ZINC001158175129 938590837 /nfs/dbraw/zinc/59/08/37/938590837.db2.gz CUSPTHXVXKZBFK-UWVGGRQHSA-N 1 0 287.323 1.725 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CC[NH2+]C2(CC2)C1 ZINC001158933950 938680194 /nfs/dbraw/zinc/68/01/94/938680194.db2.gz WQHDPEZBELFYKX-UHFFFAOYSA-N 1 0 268.704 1.585 20 5 CDBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cc([N+](=O)[O-])ccn2)O1 ZINC001159238535 938714691 /nfs/dbraw/zinc/71/46/91/938714691.db2.gz NDVIICJAUOWQPP-WZRBSPASSA-N 1 0 296.327 1.127 20 5 CDBDRO C[C@H](Nc1cc([N+](=O)[O-])cc(Cl)n1)[C@@H]1C[NH2+]CCO1 ZINC001159488186 938731802 /nfs/dbraw/zinc/73/18/02/938731802.db2.gz AOVZQPHMWZLEGI-CBAPKCEASA-N 1 0 286.719 1.432 20 5 CDBDRO O=[N+]([O-])c1ccnc(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)c1 ZINC001160737849 938822500 /nfs/dbraw/zinc/82/25/00/938822500.db2.gz RJCOSWBUNPIIRE-RKDXNWHRSA-N 1 0 290.245 1.942 20 5 CDBDRO [NH3+]Cc1cn(-c2ncnc3sc([N+](=O)[O-])cc32)cn1 ZINC001162298731 938974346 /nfs/dbraw/zinc/97/43/46/938974346.db2.gz OFYKOBXJUCSSHM-UHFFFAOYSA-N 1 0 276.281 1.244 20 5 CDBDRO C[C@@H]1C[C@@H](CNc2cc([N+](=O)[O-])c3nncn3c2)C[NH2+]1 ZINC001162560063 939088166 /nfs/dbraw/zinc/08/81/66/939088166.db2.gz XTVQLTYTULMECB-RKDXNWHRSA-N 1 0 276.300 1.047 20 5 CDBDRO COc1cc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)ncc1[N+](=O)[O-] ZINC001162791288 939141141 /nfs/dbraw/zinc/14/11/41/939141141.db2.gz APUBUQQGEUQBDK-KXUCPTDWSA-N 1 0 276.296 1.184 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)n1 ZINC001162793728 939141786 /nfs/dbraw/zinc/14/17/86/939141786.db2.gz MGZDSIMKWHMNIL-SDDRHHMPSA-N 1 0 274.324 1.793 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N[C@@H]1C=C[C@@H]2C[NH2+]C[C@@H]12 ZINC001162795351 939142879 /nfs/dbraw/zinc/14/28/79/939142879.db2.gz VHIROXHLFGSVJQ-IWSPIJDZSA-N 1 0 296.714 1.068 20 5 CDBDRO O=[N+]([O-])c1ccnc(NC[C@@H]2CC[NH2+]C[C@@H]2F)c1 ZINC001162802121 939145549 /nfs/dbraw/zinc/14/55/49/939145549.db2.gz MMBWRQXAPQASAB-WPRPVWTQSA-N 1 0 254.265 1.349 20 5 CDBDRO Cc1c(C)c([N+](=O)[O-])cnc1NC[C@@H]1CC[NH2+]C[C@@H]1F ZINC001162805367 939146760 /nfs/dbraw/zinc/14/67/60/939146760.db2.gz RWUXYCUAVQANJM-QWRGUYRKSA-N 1 0 282.319 1.966 20 5 CDBDRO COc1nc(N(C(C)C)C(C)(C)C[NH3+])ncc1[N+](=O)[O-] ZINC001163184546 939221470 /nfs/dbraw/zinc/22/14/70/939221470.db2.gz OMHQMCMWACZNNY-UHFFFAOYSA-N 1 0 283.332 1.346 20 5 CDBDRO COC(=O)c1cc(N[C@@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001163782797 939330560 /nfs/dbraw/zinc/33/05/60/939330560.db2.gz RFEPBZIHGKVUFE-VIFPVBQESA-N 1 0 281.312 1.743 20 5 CDBDRO [NH3+][C@H]1CCN(c2cc3cccnc3c([N+](=O)[O-])c2)C1 ZINC001164281746 939445697 /nfs/dbraw/zinc/44/56/97/939445697.db2.gz LYPZUNNUIQFINC-JTQLQIEISA-N 1 0 258.281 1.680 20 5 CDBDRO CCOc1nc(N2C[C@H](C[NH3+])CC[C@H]2C)ccc1[N+](=O)[O-] ZINC001164467891 939476350 /nfs/dbraw/zinc/47/63/50/939476350.db2.gz OBRCJBSQIGZTGW-MNOVXSKESA-N 1 0 294.355 1.952 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2CCC[C@H]2C[NH+](C)C)n1 ZINC001165072430 939506776 /nfs/dbraw/zinc/50/67/76/939506776.db2.gz LQBSSTDXQXZAPP-JTQLQIEISA-N 1 0 265.317 1.224 20 5 CDBDRO C[NH+](C)C1(C)CN(c2cnc3cc([N+](=O)[O-])ccc3n2)C1 ZINC001165116490 939511720 /nfs/dbraw/zinc/51/17/20/939511720.db2.gz DNLDTOSEGVNFNG-UHFFFAOYSA-N 1 0 287.323 1.678 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(N3CCC[C@H]4[NH2+]C[C@H]43)cnc2c1 ZINC001165388995 939556798 /nfs/dbraw/zinc/55/67/98/939556798.db2.gz DKVJHMLYGOMQIG-DGCLKSJQSA-N 1 0 285.307 1.479 20 5 CDBDRO O=[N+]([O-])C[C@H](OCC[NH+]1CCCCC1)c1cccnc1 ZINC001206709323 939577178 /nfs/dbraw/zinc/57/71/78/939577178.db2.gz HWZOBZIIZSBBJE-AWEZNQCLSA-N 1 0 279.340 1.902 20 5 CDBDRO [NH3+][C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H]1F ZINC001166928120 939650649 /nfs/dbraw/zinc/65/06/49/939650649.db2.gz OLFYABWFYXJJBD-JGVFFNPUSA-N 1 0 260.656 1.129 20 5 CDBDRO COC(=O)C1(Nc2c(C)cccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001166947826 939656728 /nfs/dbraw/zinc/65/67/28/939656728.db2.gz RLLVMZAEGIZYTI-UHFFFAOYSA-N 1 0 293.323 1.610 20 5 CDBDRO Cc1cnc(N2CC[C@@H]([NH3+])C(F)(F)C2)c([N+](=O)[O-])c1 ZINC001166959483 939660302 /nfs/dbraw/zinc/66/03/02/939660302.db2.gz HWMCOJDJUYEVHS-SECBINFHSA-N 1 0 272.255 1.471 20 5 CDBDRO CN(C[C@@H]1CC[NH2+]C1)c1ncnc2cccc([N+](=O)[O-])c21 ZINC001166960766 939661500 /nfs/dbraw/zinc/66/15/00/939661500.db2.gz SWLKJEXMIVSIOX-SNVBAGLBSA-N 1 0 287.323 1.584 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Cl)cc1CNN ZINC001218355407 941209104 /nfs/dbraw/zinc/20/91/04/941209104.db2.gz JNGVRZIMLJZDTL-JTQLQIEISA-N 1 0 272.800 1.777 20 5 CDBDRO Nc1ccc2n(C(=O)C3([NH3+])CC3)c3ccccc3cc-2c1=O ZINC001219254029 941322891 /nfs/dbraw/zinc/32/28/91/941322891.db2.gz SCQYSGOOYZXXSW-UHFFFAOYSA-N 1 0 293.326 1.820 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCc1ccc2c(c1)nnn2C ZINC001223037261 941652802 /nfs/dbraw/zinc/65/28/02/941652802.db2.gz KFSMNQDZBDSSBS-NSHDSACASA-N 1 0 263.365 1.580 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1COC[C@H]1CN(C)CCO1 ZINC001223108710 941659073 /nfs/dbraw/zinc/65/90/73/941659073.db2.gz WTWHZLANLFIYGC-CYBMUJFWSA-N 1 0 296.323 1.451 20 5 CDBDRO COC(=O)c1cccc(CO[C@@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001223665552 941690645 /nfs/dbraw/zinc/69/06/45/941690645.db2.gz UNEXYZSNSZZBPX-LLVKDONJSA-N 1 0 294.307 1.602 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCC[Si](C)(C)C ZINC001224905899 941804612 /nfs/dbraw/zinc/80/46/12/941804612.db2.gz ASHZUVZZFMSLKS-LLVKDONJSA-N 1 0 262.446 1.325 20 5 CDBDRO CC[NH+](CC)CCO[C@H](C[N+](=O)[O-])c1cccnc1 ZINC001224927262 941805349 /nfs/dbraw/zinc/80/53/49/941805349.db2.gz GQUGAPRZIJIBTI-CYBMUJFWSA-N 1 0 267.329 1.758 20 5 CDBDRO Cc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001225257352 941834459 /nfs/dbraw/zinc/83/44/59/941834459.db2.gz JKOHUXVNAQQHOF-GFCCVEGCSA-N 1 0 252.334 1.358 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@@H](C)C[NH+](C)C ZINC001225449692 941862123 /nfs/dbraw/zinc/86/21/23/941862123.db2.gz YQQCXHVMAPRASG-VIFPVBQESA-N 1 0 282.296 1.710 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225666450 941897061 /nfs/dbraw/zinc/89/70/61/941897061.db2.gz IYRMJRSUXNJHNO-VIFPVBQESA-N 1 0 267.285 1.557 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1nc(=O)[nH]c2c1CCC2 ZINC001226341975 941990398 /nfs/dbraw/zinc/99/03/98/941990398.db2.gz LDUICSXTXYMBPY-VIFPVBQESA-O 1 0 252.338 1.144 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ncc([N+](=O)[O-])c3nc[nH]c32)C1 ZINC001227692337 942204816 /nfs/dbraw/zinc/20/48/16/942204816.db2.gz XAPCBLIQAVUKPN-SECBINFHSA-N 1 0 291.311 1.728 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C(=N)NO)c(F)c1 ZINC001229081464 942415050 /nfs/dbraw/zinc/41/50/50/942415050.db2.gz QLSKRDGRARTBMM-SECBINFHSA-N 1 0 270.328 1.603 20 5 CDBDRO COc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(F)c1 ZINC001229997119 942563743 /nfs/dbraw/zinc/56/37/43/942563743.db2.gz SMQYEQDUHKZBCE-SNVBAGLBSA-N 1 0 286.323 1.197 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2cc3n[nH]cc3cc2[N+](=O)[O-])C1 ZINC001230596961 942653580 /nfs/dbraw/zinc/65/35/80/942653580.db2.gz YJVUWRYHUAMVNH-SECBINFHSA-N 1 0 262.269 1.554 20 5 CDBDRO COc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1C ZINC001230926727 942735251 /nfs/dbraw/zinc/73/52/51/942735251.db2.gz GNVXHXLSWOORDH-GFCCVEGCSA-N 1 0 282.360 1.366 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2c(C)ccnc2[N+](=O)[O-])C1 ZINC001233556072 943616038 /nfs/dbraw/zinc/61/60/38/943616038.db2.gz JRMBUCYAKOZWLI-SNVBAGLBSA-N 1 0 251.286 1.771 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cc(/C=C/C(N)=O)ccc1O ZINC001234159703 943760067 /nfs/dbraw/zinc/76/00/67/943760067.db2.gz OSUSIVIBTPLAQI-LLVKDONJSA-O 1 0 279.360 1.364 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])CCCC1 ZINC001261643851 946211001 /nfs/dbraw/zinc/21/10/01/946211001.db2.gz HVSIACXHBNOQMU-UHFFFAOYSA-N 1 0 292.339 1.638 20 5 CDBDRO C[C@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[NH+](C)C ZINC001261908601 946330401 /nfs/dbraw/zinc/33/04/01/946330401.db2.gz SFUMANUPBQOKAT-SECBINFHSA-N 1 0 263.297 1.387 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C)C1 ZINC001254531653 947509109 /nfs/dbraw/zinc/50/91/09/947509109.db2.gz GFSLOXWMKMGFKR-YPMHNXCESA-N 1 0 263.341 1.820 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCn1ccnn1 ZINC001254534120 947513144 /nfs/dbraw/zinc/51/31/44/947513144.db2.gz URDYYZUGTYCOLM-NSHDSACASA-N 1 0 275.312 1.407 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCN(CC[NH3+])CC1 ZINC001254538682 947516590 /nfs/dbraw/zinc/51/65/90/947516590.db2.gz YKQGLINDJYWCAT-ZDUSSCGKSA-N 1 0 292.383 1.102 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001254552258 947520226 /nfs/dbraw/zinc/52/02/26/947520226.db2.gz JNDDNKONRFOAED-UXIGCNINSA-N 1 0 294.351 1.201 20 5 CDBDRO C[C@H](CCO)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254576798 947534712 /nfs/dbraw/zinc/53/47/12/947534712.db2.gz ZMEBDYBIAXAYFL-SKDRFNHKSA-N 1 0 250.298 1.423 20 5 CDBDRO CCOC(=O)[C@H](C)C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580073 947536836 /nfs/dbraw/zinc/53/68/36/947536836.db2.gz AWVKPBYIIGXPGG-MFKMUULPSA-N 1 0 292.335 1.851 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]CC12CC2 ZINC001246135172 947980231 /nfs/dbraw/zinc/98/02/31/947980231.db2.gz SVKOQVCOXMIPFT-BXUZGUMPSA-N 1 0 275.352 1.867 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001246529748 948231820 /nfs/dbraw/zinc/23/18/20/948231820.db2.gz LPNSBQBPLKRJEF-WCQGTBRESA-N 1 0 267.304 1.507 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246864139 948489045 /nfs/dbraw/zinc/48/90/45/948489045.db2.gz SZSLMPXLOQXPDJ-UXIGCNINSA-N 1 0 275.352 1.949 20 5 CDBDRO CC(C)(C)[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC001252579962 951474084 /nfs/dbraw/zinc/47/40/84/951474084.db2.gz RHRQXIXWXHCLBU-UHFFFAOYSA-N 1 0 281.360 1.207 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CCNc1ccc([N+](=O)[O-])c(N)n1 ZINC000822132944 953773834 /nfs/dbraw/zinc/77/38/34/953773834.db2.gz HMVGJOMWIRNGBW-SECBINFHSA-N 1 0 265.317 1.468 20 5 CDBDRO O=C(NC[C@@H]1C[NH+]2CCC1CC2)c1csc([N+](=O)[O-])c1 ZINC001304524253 956198793 /nfs/dbraw/zinc/19/87/93/956198793.db2.gz HCHRPPJMVXYLAU-LLVKDONJSA-N 1 0 295.364 1.728 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@@H]1COc2c(F)cc(F)cc2C1 ZINC001335326374 959712771 /nfs/dbraw/zinc/71/27/71/959712771.db2.gz FGHAVCDFVILLCB-VIFPVBQESA-N 1 0 258.224 1.135 20 5 CDBDRO C[C@H](Nc1ccc(N)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001336710151 960490667 /nfs/dbraw/zinc/49/06/67/960490667.db2.gz DCJZVXCJDKCORZ-IINYFYTJSA-N 1 0 293.371 1.223 20 5 CDBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC001341304153 963360224 /nfs/dbraw/zinc/36/02/24/963360224.db2.gz VVFXEOGDKZUGIW-UHFFFAOYSA-N 1 0 269.688 1.469 20 5 CDBDRO COc1ccc(NC(=O)C23CCC(CC2)[NH2+]3)cc1[N+](=O)[O-] ZINC001341704997 963516875 /nfs/dbraw/zinc/51/68/75/963516875.db2.gz ZRVNNFTYHONLQQ-UHFFFAOYSA-N 1 0 291.307 1.827 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC001345810052 964823267 /nfs/dbraw/zinc/82/32/67/964823267.db2.gz OFLVHPLBVRVALS-CABZTGNLSA-N 1 0 292.339 1.446 20 5 CDBDRO CO[C@@]1(C)C[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001346376132 965071625 /nfs/dbraw/zinc/07/16/25/965071625.db2.gz IESFLWYGFBTQNS-UPJWGTAASA-N 1 0 266.297 1.395 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](CNc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001347944816 965758391 /nfs/dbraw/zinc/75/83/91/965758391.db2.gz LBUMLVZSXQDNSK-JTQLQIEISA-N 1 0 279.344 1.716 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001348125017 965829346 /nfs/dbraw/zinc/82/93/46/965829346.db2.gz BGAFCFJSNYMQAU-JTQLQIEISA-N 1 0 279.344 1.493 20 5 CDBDRO O=C([C@H]1CCCC[NH2+]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001349418026 966344706 /nfs/dbraw/zinc/34/47/06/966344706.db2.gz NWTQVFDKLXYRAE-CYBMUJFWSA-N 1 0 275.308 1.579 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CC23CCOCC3)c1 ZINC001353339999 967910868 /nfs/dbraw/zinc/91/08/68/967910868.db2.gz LTQDCEDBXJEZNQ-KBPBESRZSA-N 1 0 292.335 1.787 20 5 CDBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001353498028 968018327 /nfs/dbraw/zinc/01/83/27/968018327.db2.gz MTHPVAHEZRPBTH-VIFPVBQESA-N 1 0 283.332 1.168 20 5 CDBDRO CNc1ccc(C(=O)N2CC[C@H]([NH2+]C)C2)cc1[N+](=O)[O-] ZINC000564797040 365524080 /nfs/dbraw/zinc/52/40/80/365524080.db2.gz NBOMRUUGRQBRNS-JTQLQIEISA-N 1 0 278.312 1.070 20 5 CDBDRO CCOc1cccc(NCC[N@@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000599199222 343979428 /nfs/dbraw/zinc/97/94/28/343979428.db2.gz HJXZRYRXZGXFBQ-NSHDSACASA-N 1 0 295.339 1.472 20 5 CDBDRO COc1cc(CC[NH2+]C[C@H](C)O)c([N+](=O)[O-])cc1OC ZINC000567587803 398191343 /nfs/dbraw/zinc/19/13/43/398191343.db2.gz QFUQRGUCNXXZPS-VIFPVBQESA-N 1 0 284.312 1.125 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000601329894 342554711 /nfs/dbraw/zinc/55/47/11/342554711.db2.gz OEBUBZSMIATTGM-QWRGUYRKSA-N 1 0 265.313 1.395 20 5 CDBDRO C[C@@H]1[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])CCC[N@@H+]1C ZINC000342834860 361751187 /nfs/dbraw/zinc/75/11/87/361751187.db2.gz LARPUCXNTJGFJV-MWLCHTKSSA-N 1 0 292.339 1.588 20 5 CDBDRO CCc1nn(C)c(N2CC[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000573214993 361800711 /nfs/dbraw/zinc/80/07/11/361800711.db2.gz RQACWLIQUSHMMA-JTQLQIEISA-N 1 0 281.360 1.279 20 5 CDBDRO Cc1nc(N2CC[C@@H]([NH+](C)C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000590568554 342576161 /nfs/dbraw/zinc/57/61/61/342576161.db2.gz FSJAXRUJUZOIDR-CMPLNLGQSA-N 1 0 264.329 1.827 20 5 CDBDRO C[C@]1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCC[NH2+]1 ZINC000120674805 342058736 /nfs/dbraw/zinc/05/87/36/342058736.db2.gz XWVBEUKAFGDGGY-OAHLLOKOSA-N 1 0 289.335 1.622 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135359795 342070615 /nfs/dbraw/zinc/07/06/15/342070615.db2.gz UWDHNKQJGNKWDJ-JQWIXIFHSA-N 1 0 277.324 1.476 20 5 CDBDRO O=[N+]([O-])c1ccc2ccnc(N3C[C@@H]4C[NH2+]C[C@H]4C3)c2c1 ZINC000591139922 342618192 /nfs/dbraw/zinc/61/81/92/342618192.db2.gz LMWYHQNBRKJANQ-RYUDHWBXSA-N 1 0 284.319 1.799 20 5 CDBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000044381276 342115450 /nfs/dbraw/zinc/11/54/50/342115450.db2.gz ZJZDCDGSODZOKN-ZDUSSCGKSA-N 1 0 280.324 1.819 20 5 CDBDRO CC[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000125220973 187175317 /nfs/dbraw/zinc/17/53/17/187175317.db2.gz GDDVBODVROVTTH-JTQLQIEISA-N 1 0 277.324 1.926 20 5 CDBDRO COc1cccc(C(=O)N2CC[NH2+]CC2(C)C)c1[N+](=O)[O-] ZINC000591678194 342641594 /nfs/dbraw/zinc/64/15/94/342641594.db2.gz MHTUUWDEHFLPGU-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO Cc1c(CC(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cccc1[N+](=O)[O-] ZINC000591685941 342643316 /nfs/dbraw/zinc/64/33/16/342643316.db2.gz CIZSQNHYSXCSSY-RYUDHWBXSA-N 1 0 295.314 1.262 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000592340030 342685642 /nfs/dbraw/zinc/68/56/42/342685642.db2.gz XUIGOICNXXMHMQ-SECBINFHSA-N 1 0 266.301 1.104 20 5 CDBDRO [NH3+]C1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000592532629 342704945 /nfs/dbraw/zinc/70/49/45/342704945.db2.gz OCCVYOYONKRRKF-UHFFFAOYSA-N 1 0 293.323 1.361 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCCC[C@@H]1CO ZINC000157002081 342176052 /nfs/dbraw/zinc/17/60/52/342176052.db2.gz XLSFLGBHCQXKBM-GFCCVEGCSA-N 1 0 282.344 1.337 20 5 CDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000593910571 342855812 /nfs/dbraw/zinc/85/58/12/342855812.db2.gz XVMVWAFXWHYPLB-CYBMUJFWSA-N 1 0 291.351 1.643 20 5 CDBDRO C[C@H]([NH2+]C[C@H]1COCCN1)c1cccc([N+](=O)[O-])c1 ZINC000600712232 342243933 /nfs/dbraw/zinc/24/39/33/342243933.db2.gz VCUKMKAEWPNIKE-JQWIXIFHSA-N 1 0 265.313 1.234 20 5 CDBDRO CCN(CC[NH3+])[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000600715621 342244103 /nfs/dbraw/zinc/24/41/03/342244103.db2.gz HJIZCUXKKHPFOH-LLVKDONJSA-N 1 0 294.355 1.511 20 5 CDBDRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000594513731 342912904 /nfs/dbraw/zinc/91/29/04/342912904.db2.gz GVTZNYQPZOLTQF-LLVKDONJSA-N 1 0 287.323 1.370 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CC[N@H+](C)C1 ZINC000524300493 539106979 /nfs/dbraw/zinc/10/69/79/539106979.db2.gz RYEPPBPYLUSTSP-LBPRGKRZSA-N 1 0 277.324 1.505 20 5 CDBDRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C2 ZINC000594517100 342917118 /nfs/dbraw/zinc/91/71/18/342917118.db2.gz VCYKTNHXNUQCHS-LLVKDONJSA-N 1 0 287.323 1.370 20 5 CDBDRO NC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594522141 342917390 /nfs/dbraw/zinc/91/73/90/342917390.db2.gz YFLYXDJZSKLQEO-GBIKHYSHSA-N 1 0 289.335 1.826 20 5 CDBDRO Cc1cccc(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000127803241 342285525 /nfs/dbraw/zinc/28/55/25/342285525.db2.gz NXOHGBJRRRRYCS-CMPLNLGQSA-N 1 0 293.323 1.091 20 5 CDBDRO COc1ccc(NC(=O)[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000611890566 346900976 /nfs/dbraw/zinc/90/09/76/346900976.db2.gz QDCNKINJTFGVOL-QMMMGPOBSA-N 1 0 267.285 1.492 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@H+](CC)[C@H](C)C1 ZINC000619486585 349743769 /nfs/dbraw/zinc/74/37/69/349743769.db2.gz GYHWJJDZLGOICR-SNVBAGLBSA-N 1 0 281.360 1.650 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NCC2([NH+](C)C)CCOCC2)n1 ZINC000126115199 187217789 /nfs/dbraw/zinc/21/77/89/187217789.db2.gz ARCKXINKYKZATM-UHFFFAOYSA-N 1 0 294.355 1.821 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(Cc2onc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000595405556 343049689 /nfs/dbraw/zinc/04/96/89/343049689.db2.gz YCIJUFCELBXYML-UWVGGRQHSA-N 1 0 282.344 1.806 20 5 CDBDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595466846 343071736 /nfs/dbraw/zinc/07/17/36/343071736.db2.gz NTEDRBGDQYBCPI-CYBMUJFWSA-N 1 0 281.287 1.431 20 5 CDBDRO Cc1noc(C[NH2+][C@H](CO)C2CCCC2)c1[N+](=O)[O-] ZINC000595489847 343075744 /nfs/dbraw/zinc/07/57/44/343075744.db2.gz JGEUDKWKSVDOES-SNVBAGLBSA-N 1 0 269.301 1.532 20 5 CDBDRO O=C1CC[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CC[C@@H]2N1 ZINC000595739843 343136378 /nfs/dbraw/zinc/13/63/78/343136378.db2.gz KVEBJRZQLBARGJ-OCCSQVGLSA-N 1 0 289.335 1.695 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)c1ccc([N+](=O)[O-])s1 ZINC000595941207 343203780 /nfs/dbraw/zinc/20/37/80/343203780.db2.gz BJVITQLTKGPWFY-UHFFFAOYSA-N 1 0 257.315 1.466 20 5 CDBDRO Nc1ccc(N2CCC([C@@H]3CC[NH2+]C3)CC2)nc1[N+](=O)[O-] ZINC000596015756 343219145 /nfs/dbraw/zinc/21/91/45/343219145.db2.gz HWLWGHMOQCWSJQ-LLVKDONJSA-N 1 0 291.355 1.398 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000595953228 343195341 /nfs/dbraw/zinc/19/53/41/343195341.db2.gz YCYZXQBLVMSXFK-SECBINFHSA-N 1 0 267.285 1.540 20 5 CDBDRO O=c1[nH]ccc(NCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000596074579 343226022 /nfs/dbraw/zinc/22/60/22/343226022.db2.gz VTRUZRPDFIBGGG-UHFFFAOYSA-N 1 0 280.328 1.983 20 5 CDBDRO C[C@@H]1[C@H](C)N(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@H+]1C ZINC000596181714 343250326 /nfs/dbraw/zinc/25/03/26/343250326.db2.gz DSHFOPFLIJGQJY-ZJUUUORDSA-N 1 0 292.339 1.223 20 5 CDBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596062374 343223766 /nfs/dbraw/zinc/22/37/66/343223766.db2.gz NCYMGQJUOLRRSO-UHFFFAOYSA-N 1 0 292.339 1.590 20 5 CDBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000596241814 343285032 /nfs/dbraw/zinc/28/50/32/343285032.db2.gz LMNIGMWZQRUICE-SNVBAGLBSA-N 1 0 281.360 1.526 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596176933 343261138 /nfs/dbraw/zinc/26/11/38/343261138.db2.gz ACJOYNVYRXTHFR-NXEZZACHSA-N 1 0 292.339 1.223 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc(N)c([N+](=O)[O-])n2)C[C@H]1C ZINC000596176928 343261304 /nfs/dbraw/zinc/26/13/04/343261304.db2.gz LBFUPMXVDNGUFR-NXEZZACHSA-N 1 0 279.344 1.491 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[C@H](C)[NH+](C)C)n1 ZINC000596434525 343320858 /nfs/dbraw/zinc/32/08/58/343320858.db2.gz XHMQDCHXJLZOIM-VIFPVBQESA-N 1 0 296.327 1.529 20 5 CDBDRO C[NH+](C)C1CCC(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596279074 343296799 /nfs/dbraw/zinc/29/67/99/343296799.db2.gz VOFCXMNPDCPHRX-UHFFFAOYSA-N 1 0 280.328 1.980 20 5 CDBDRO C[C@@H](CCNc1ccc(C(N)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000596425224 343312042 /nfs/dbraw/zinc/31/20/42/343312042.db2.gz QWHDNMFJIXJJSZ-VIFPVBQESA-N 1 0 280.328 1.446 20 5 CDBDRO Cc1nn(C)c(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000301513717 282274577 /nfs/dbraw/zinc/27/45/77/282274577.db2.gz FUGVOANMEZFWLJ-GHMZBOCLSA-N 1 0 281.360 1.921 20 5 CDBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000111829457 365797075 /nfs/dbraw/zinc/79/70/75/365797075.db2.gz AJWXEJUZEGNSSP-LLVKDONJSA-N 1 0 265.313 1.698 20 5 CDBDRO [NH3+][C@@]12CCC[C@H]1CN(CCOc1ccccc1[N+](=O)[O-])C2 ZINC000598684380 343864993 /nfs/dbraw/zinc/86/49/93/343864993.db2.gz WIEJLRAGOZFLMN-SWLSCSKDSA-N 1 0 291.351 1.787 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598915778 343920039 /nfs/dbraw/zinc/92/00/39/343920039.db2.gz OPLIWQCHWSCWAL-RKDXNWHRSA-N 1 0 296.302 1.935 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000128915122 362289546 /nfs/dbraw/zinc/28/95/46/362289546.db2.gz UIKKKVIKQVHYGJ-MRVPVSSYSA-N 1 0 283.715 1.682 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601973104 344300862 /nfs/dbraw/zinc/30/08/62/344300862.db2.gz HNGXIHZZMQLLSN-DOMZBBRYSA-N 1 0 289.335 1.396 20 5 CDBDRO C[NH+]1CCC(NCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602504734 344456756 /nfs/dbraw/zinc/45/67/56/344456756.db2.gz UASXOAZEZAVJDB-UHFFFAOYSA-N 1 0 290.323 1.920 20 5 CDBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602589272 344478836 /nfs/dbraw/zinc/47/88/36/344478836.db2.gz SJFXRMMVCNSTLJ-YUMQZZPRSA-N 1 0 281.699 1.435 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602591152 344480041 /nfs/dbraw/zinc/48/00/41/344480041.db2.gz LPIQSYGEVUHWKS-TXEJJXNPSA-N 1 0 289.335 1.788 20 5 CDBDRO CCC1(CO)CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602802336 344591524 /nfs/dbraw/zinc/59/15/24/344591524.db2.gz YZLBSWSGLQDAAB-UHFFFAOYSA-N 1 0 296.371 1.584 20 5 CDBDRO C[NH2+]CCSCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000382646382 362445600 /nfs/dbraw/zinc/44/56/00/362445600.db2.gz LOLYVUJUPHMHOU-UHFFFAOYSA-N 1 0 269.326 1.146 20 5 CDBDRO C[C@@H]1OCC[C@@H]1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000602819620 344608835 /nfs/dbraw/zinc/60/88/35/344608835.db2.gz UDQOOZYXJHSSMD-NWDGAFQWSA-N 1 0 294.355 1.853 20 5 CDBDRO CO[C@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602826861 344612468 /nfs/dbraw/zinc/61/24/68/344612468.db2.gz OHWIZTPOCXUMAY-JQWIXIFHSA-N 1 0 282.344 1.599 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@@H](O)C[NH+]2CCCCC2)c(F)c1 ZINC000052131505 362472085 /nfs/dbraw/zinc/47/20/85/362472085.db2.gz AOULZWJDSMKEHK-GFCCVEGCSA-N 1 0 297.330 1.993 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCC[C@H]1CCO ZINC000602818196 344608325 /nfs/dbraw/zinc/60/83/25/344608325.db2.gz CGQOONOGQUYYHL-NWDGAFQWSA-N 1 0 282.344 1.240 20 5 CDBDRO C[C@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343516030 362491129 /nfs/dbraw/zinc/49/11/29/362491129.db2.gz KJBNLJLZELWSMG-SMDDNHRTSA-N 1 0 291.351 1.736 20 5 CDBDRO CO[C@H]1C[C@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])C1(C)C ZINC000602843581 344622692 /nfs/dbraw/zinc/62/26/92/344622692.db2.gz XTWQZSIHBNLXJU-QWRGUYRKSA-N 1 0 282.344 1.503 20 5 CDBDRO C[NH2+]C(C)(C)c1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000603194658 344729956 /nfs/dbraw/zinc/72/99/56/344729956.db2.gz HREHXLFDBGSZQN-UHFFFAOYSA-N 1 0 289.339 1.884 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000128621095 344766615 /nfs/dbraw/zinc/76/66/15/344766615.db2.gz OYNSXIYEGVGPGM-IINYFYTJSA-N 1 0 295.339 1.151 20 5 CDBDRO C[C@H]1C[C@H](C)C[NH+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159726889 362510964 /nfs/dbraw/zinc/51/09/64/362510964.db2.gz HXCPCKGNOZYFQM-RYUDHWBXSA-N 1 0 279.340 1.734 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000129265254 345281957 /nfs/dbraw/zinc/28/19/57/345281957.db2.gz VILSWXZNJNMQNC-DTWKUNHWSA-N 1 0 281.287 1.686 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000230732949 345440695 /nfs/dbraw/zinc/44/06/95/345440695.db2.gz DTMKLQDGRPSQLO-ZDUSSCGKSA-N 1 0 263.297 1.385 20 5 CDBDRO COc1ccc(C[NH2+]C[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000097441030 185604887 /nfs/dbraw/zinc/60/48/87/185604887.db2.gz VGQYIEMDNBDRKI-JTQLQIEISA-N 1 0 268.313 1.712 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000610068066 346162010 /nfs/dbraw/zinc/16/20/10/346162010.db2.gz QYTYUQUGFGMEKG-NSHDSACASA-N 1 0 292.339 1.481 20 5 CDBDRO CC[N@H+](C)C[C@H]1CCN(c2cccnc2[N+](=O)[O-])C1 ZINC000610283331 346243464 /nfs/dbraw/zinc/24/34/64/346243464.db2.gz XFYMOHTZUWZQKG-LLVKDONJSA-N 1 0 264.329 1.768 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000385364995 346251890 /nfs/dbraw/zinc/25/18/90/346251890.db2.gz LVHFITFPEDYPQU-UHFFFAOYSA-N 1 0 271.704 1.669 20 5 CDBDRO C[C@](CO)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000610485061 346291067 /nfs/dbraw/zinc/29/10/67/346291067.db2.gz IYKWNQVTTSDWRB-CQSZACIVSA-N 1 0 290.323 1.289 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[NH2+]C[C@H]1C ZINC000086470149 362711879 /nfs/dbraw/zinc/71/18/79/362711879.db2.gz PMFMDZMVZBOMAV-GHMZBOCLSA-N 1 0 279.340 1.786 20 5 CDBDRO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C[N@@H+]1C1CC1 ZINC000133535226 362764709 /nfs/dbraw/zinc/76/47/09/362764709.db2.gz IZCSFWGORUOIHQ-JGVFFNPUSA-N 1 0 278.316 1.004 20 5 CDBDRO C[C@@H]1CCCC[C@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000042860700 346530923 /nfs/dbraw/zinc/53/09/23/346530923.db2.gz UWXHWGMSLFTCIB-DYEKYZERSA-N 1 0 296.371 1.568 20 5 CDBDRO C[C@@H]1[C@H](C)N(c2ncccc2[N+](=O)[O-])CC[N@H+]1C ZINC000611299021 346741004 /nfs/dbraw/zinc/74/10/04/346741004.db2.gz IJIJFJWTXGARBX-ZJUUUORDSA-N 1 0 250.302 1.519 20 5 CDBDRO O=[N+]([O-])c1ccsc1N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000611412053 346779345 /nfs/dbraw/zinc/77/93/45/346779345.db2.gz FQCZWVJSZWRBRD-JQWIXIFHSA-N 1 0 297.380 1.692 20 5 CDBDRO CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000060846875 347453945 /nfs/dbraw/zinc/45/39/45/347453945.db2.gz HWJSRDDJSIJGSA-UHFFFAOYSA-N 1 0 250.302 1.522 20 5 CDBDRO CC(=O)N1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000053456930 347740394 /nfs/dbraw/zinc/74/03/94/347740394.db2.gz ONZVACADNQXCLU-UHFFFAOYSA-N 1 0 277.324 1.649 20 5 CDBDRO CC(C)C[C@H](CNc1c([N+](=O)[O-])ncn1C)[NH+](C)C ZINC000023887580 348544503 /nfs/dbraw/zinc/54/45/03/348544503.db2.gz DICROJIWVDMQBS-SNVBAGLBSA-N 1 0 269.349 1.717 20 5 CDBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000273428513 192147699 /nfs/dbraw/zinc/14/76/99/192147699.db2.gz WVHWKDWLFYHOQE-IINYFYTJSA-N 1 0 290.323 1.713 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000104205949 185930719 /nfs/dbraw/zinc/93/07/19/185930719.db2.gz WYHCVDRLTSRDQK-SSDOTTSWSA-N 1 0 255.249 1.201 20 5 CDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000129355677 362930700 /nfs/dbraw/zinc/93/07/00/362930700.db2.gz RLNOORODEVRWSN-NWDGAFQWSA-N 1 0 250.298 1.844 20 5 CDBDRO O=[N+]([O-])c1cccnc1NCCC[NH+]1CCC(O)CC1 ZINC000059363434 348879592 /nfs/dbraw/zinc/87/95/92/348879592.db2.gz ZJHODEHQHRWTCU-UHFFFAOYSA-N 1 0 280.328 1.249 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000066958438 349007536 /nfs/dbraw/zinc/00/75/36/349007536.db2.gz JDMUEROWLAWYSV-UHFFFAOYSA-N 1 0 265.313 1.585 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000105871193 186081141 /nfs/dbraw/zinc/08/11/41/186081141.db2.gz MLYGSBOGPNQUBS-ZYHUDNBSSA-N 1 0 287.323 1.852 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000111301901 350460173 /nfs/dbraw/zinc/46/01/73/350460173.db2.gz FRDZBOPIVWMNDJ-LURJTMIESA-N 1 0 257.677 1.325 20 5 CDBDRO C[C@H](Nc1c([N+](=O)[O-])ncn1C)[C@@H]1CCC[NH2+]C1 ZINC000106402523 186114626 /nfs/dbraw/zinc/11/46/26/186114626.db2.gz MFRPMHMKOTWVDJ-DTWKUNHWSA-N 1 0 253.306 1.128 20 5 CDBDRO COc1ccc(C[NH2+]CCC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000106466727 186120483 /nfs/dbraw/zinc/12/04/83/186120483.db2.gz CUBVOPUTEZYVCG-UHFFFAOYSA-N 1 0 295.339 1.608 20 5 CDBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cn1)C[NH+]1CCCC1 ZINC000062075519 362978528 /nfs/dbraw/zinc/97/85/28/362978528.db2.gz LADAAENCDYNLLS-JTQLQIEISA-N 1 0 265.317 1.529 20 5 CDBDRO O=[N+]([O-])c1cc2c(ncnc2N2C[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000312517690 350783335 /nfs/dbraw/zinc/78/33/35/350783335.db2.gz BEELKSFZHQZYRJ-YUMQZZPRSA-N 1 0 291.336 1.255 20 5 CDBDRO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353470002 363032502 /nfs/dbraw/zinc/03/25/02/363032502.db2.gz HZNYCYXXEZXDTP-TVQRCGJNSA-N 1 0 295.339 1.593 20 5 CDBDRO C[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000121153723 186954265 /nfs/dbraw/zinc/95/42/65/186954265.db2.gz MQVBUSIILPNXIB-UHFFFAOYSA-N 1 0 280.328 1.000 20 5 CDBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000331376500 358474298 /nfs/dbraw/zinc/47/42/98/358474298.db2.gz HARXMJWMTXGEDM-NSHDSACASA-N 1 0 289.335 1.809 20 5 CDBDRO C[C@@H](NC(=O)C1=CC[C@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC001579405628 1172168205 /nfs/dbraw/zinc/16/82/05/1172168205.db2.gz DEGMIGPQDIXDHU-KOLCDFICSA-N 1 0 275.308 1.820 20 5 CDBDRO O=C1NCCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000036976561 363302925 /nfs/dbraw/zinc/30/29/25/363302925.db2.gz YTNAJFPYJPEIJX-LBPRGKRZSA-N 1 0 263.297 1.353 20 5 CDBDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000411939106 363383211 /nfs/dbraw/zinc/38/32/11/363383211.db2.gz NIZYRMVMDVYSRV-GFCCVEGCSA-N 1 0 277.324 1.505 20 5 CDBDRO C[N@H+]1CC=C(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000271897251 191397173 /nfs/dbraw/zinc/39/71/73/191397173.db2.gz FYXRYOYHLRAACT-UHFFFAOYSA-N 1 0 293.298 1.726 20 5 CDBDRO Cc1c([C@@H](C)[NH2+]CCc2ncn(C)n2)cccc1[N+](=O)[O-] ZINC000358410107 355924771 /nfs/dbraw/zinc/92/47/71/355924771.db2.gz XDGRRMUCQRXOET-LLVKDONJSA-N 1 0 289.339 1.925 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000125783008 356061920 /nfs/dbraw/zinc/06/19/20/356061920.db2.gz WAHLYFGGHQGHGM-CYZMBNFOSA-N 1 0 289.335 1.794 20 5 CDBDRO CC(C)C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272976679 192004823 /nfs/dbraw/zinc/00/48/23/192004823.db2.gz CHVWIGYLTGPDMD-LBPRGKRZSA-N 1 0 282.340 1.922 20 5 CDBDRO COc1ccc(C[NH2+]CCC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000227956100 356337141 /nfs/dbraw/zinc/33/71/41/356337141.db2.gz APYIFYCWGLGAIN-SNVBAGLBSA-N 1 0 268.313 1.854 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC000578527991 356717373 /nfs/dbraw/zinc/71/73/73/356717373.db2.gz WYNPYBDMOSWUCP-CYBMUJFWSA-N 1 0 287.323 1.676 20 5 CDBDRO CC(C)(O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000070940269 357174257 /nfs/dbraw/zinc/17/42/57/357174257.db2.gz BOCZTHCQFUEPND-UHFFFAOYSA-N 1 0 279.340 1.488 20 5 CDBDRO O=[N+]([O-])c1cccnc1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000048559780 357190098 /nfs/dbraw/zinc/19/00/98/357190098.db2.gz XDCKBUKSBJMBMB-LLVKDONJSA-N 1 0 280.328 1.249 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000261886185 357338007 /nfs/dbraw/zinc/33/80/07/357338007.db2.gz VCEAUDMVHSHQQS-AWEZNQCLSA-N 1 0 279.340 1.644 20 5 CDBDRO Cc1c(CNC(=O)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000360526432 357358638 /nfs/dbraw/zinc/35/86/38/357358638.db2.gz UDPGDAHGZCOEES-UHFFFAOYSA-N 1 0 291.351 1.861 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H](C[NH+](C)C)C1 ZINC000360901796 357739508 /nfs/dbraw/zinc/73/95/08/357739508.db2.gz PCXBSDRVLUPXTN-LLVKDONJSA-N 1 0 281.360 1.508 20 5 CDBDRO O=C(N[C@H]1C[C@@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])s1 ZINC000361093898 357797623 /nfs/dbraw/zinc/79/76/23/357797623.db2.gz DFRWJFJUIKKAII-ZJUUUORDSA-N 1 0 295.364 1.774 20 5 CDBDRO Cc1cc(C(=O)NCC[C@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000135223772 357798571 /nfs/dbraw/zinc/79/85/71/357798571.db2.gz XBLLXASBDAKFGQ-VIFPVBQESA-N 1 0 251.286 1.370 20 5 CDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000135226806 357798577 /nfs/dbraw/zinc/79/85/77/357798577.db2.gz IYGUWZNDJXVTDG-VIFPVBQESA-N 1 0 281.287 1.463 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000135229976 357799155 /nfs/dbraw/zinc/79/91/55/357799155.db2.gz DBGWQSSGFNKQLI-IUCAKERBSA-N 1 0 281.287 1.556 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)c1 ZINC000188827793 357941967 /nfs/dbraw/zinc/94/19/67/357941967.db2.gz FMFLDFAAIAFBFS-YPMHNXCESA-N 1 0 250.298 1.845 20 5 CDBDRO CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000361308304 358159780 /nfs/dbraw/zinc/15/97/80/358159780.db2.gz CLXBNAAKWCHLNW-UHFFFAOYSA-N 1 0 267.285 1.356 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000193581737 358305353 /nfs/dbraw/zinc/30/53/53/358305353.db2.gz GMKBKTKLMIMBNF-ZWNOBZJWSA-N 1 0 293.323 1.230 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)cc1[N+](=O)[O-] ZINC000193621258 358309821 /nfs/dbraw/zinc/30/98/21/358309821.db2.gz NQLUFYRUWDYWBD-NOZJJQNGSA-N 1 0 293.323 1.218 20 5 CDBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000193700276 358317524 /nfs/dbraw/zinc/31/75/24/358317524.db2.gz JWEWPGKSIVWPNH-JDRNFJBZSA-N 1 0 289.335 1.722 20 5 CDBDRO O=[N+]([O-])c1cnn(CCN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000584354027 366387348 /nfs/dbraw/zinc/38/73/48/366387348.db2.gz YXTFYBKHCYBKFT-ZIAGYGMSSA-N 1 0 293.371 1.398 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C1CC([NH3+])C1 ZINC000294856314 199215507 /nfs/dbraw/zinc/21/55/07/199215507.db2.gz NXGHARQTXJSZIX-UHFFFAOYSA-N 1 0 263.297 1.465 20 5 CDBDRO Cc1c(C(=O)N2CC[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000088059266 358356016 /nfs/dbraw/zinc/35/60/16/358356016.db2.gz ZARZJWOSBZKZHJ-VIFPVBQESA-N 1 0 263.297 1.337 20 5 CDBDRO Cc1cc(C(=O)NCCOCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000538650398 358887009 /nfs/dbraw/zinc/88/70/09/358887009.db2.gz VLDVDYMOCAIXME-UHFFFAOYSA-N 1 0 295.339 1.211 20 5 CDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1csc([N+](=O)[O-])c1 ZINC000104359306 358956282 /nfs/dbraw/zinc/95/62/82/358956282.db2.gz LIIOJIXXZBVVJC-MRVPVSSYSA-N 1 0 269.326 1.386 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000381376652 359040864 /nfs/dbraw/zinc/04/08/64/359040864.db2.gz OEXKTQADOIULOD-BDAKNGLRSA-N 1 0 251.286 1.369 20 5 CDBDRO C[C@H]1C[NH2+]CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000071978839 358997671 /nfs/dbraw/zinc/99/76/71/358997671.db2.gz OBSMYSBAPIWRIQ-NSHDSACASA-N 1 0 265.313 1.267 20 5 CDBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000451770305 359079900 /nfs/dbraw/zinc/07/99/00/359079900.db2.gz CZUMCLXLQGIFPI-NEPJUHHUSA-N 1 0 296.327 1.113 20 5 CDBDRO COC[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000338319008 359113282 /nfs/dbraw/zinc/11/32/82/359113282.db2.gz BDGQWPHYQSPOQB-MRVPVSSYSA-N 1 0 264.285 1.596 20 5 CDBDRO COc1ccc(C[N@H+](CCO)C2CC2)cc1[N+](=O)[O-] ZINC000048065117 359188555 /nfs/dbraw/zinc/18/85/55/359188555.db2.gz SCNNRGBRSOMSDX-UHFFFAOYSA-N 1 0 266.297 1.560 20 5 CDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ncc([N+](=O)[O-])cn1 ZINC000273559796 363639695 /nfs/dbraw/zinc/63/96/95/363639695.db2.gz BIZCKMONUAWHGO-GXSJLCMTSA-N 1 0 265.317 1.161 20 5 CDBDRO CC[N@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000112926393 359365856 /nfs/dbraw/zinc/36/58/56/359365856.db2.gz DROBYLVZZLASST-UHFFFAOYSA-N 1 0 299.302 1.181 20 5 CDBDRO C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000050162893 359352617 /nfs/dbraw/zinc/35/26/17/359352617.db2.gz ZWNCIDUBPDRXFT-MNOVXSKESA-N 1 0 277.324 1.713 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@@H+](CCO)C2CCC2)cc1 ZINC000221173973 359486565 /nfs/dbraw/zinc/48/65/65/359486565.db2.gz OPZLBXMBOFTDCL-UHFFFAOYSA-N 1 0 264.325 1.984 20 5 CDBDRO [NH3+][C@H]1CC[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000157469469 237102416 /nfs/dbraw/zinc/10/24/16/237102416.db2.gz GMOGSFRNRIMVPJ-AAEUAGOBSA-N 1 0 289.335 1.607 20 5 CDBDRO COC[C@](C)(O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000069912585 359715054 /nfs/dbraw/zinc/71/50/54/359715054.db2.gz MGARAPVLKHHARL-GFCCVEGCSA-N 1 0 254.286 1.082 20 5 CDBDRO CN(C)C(=O)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000298310522 200391012 /nfs/dbraw/zinc/39/10/12/200391012.db2.gz ZCPOOGJHDWGXFC-UHFFFAOYSA-N 1 0 265.313 1.505 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176667616 189003921 /nfs/dbraw/zinc/00/39/21/189003921.db2.gz UTEVOHVTRIFOME-SECBINFHSA-N 1 0 278.312 1.001 20 5 CDBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1CCO ZINC000449540122 360174025 /nfs/dbraw/zinc/17/40/25/360174025.db2.gz IVOZBKQTQMKXHQ-BETUJISGSA-N 1 0 293.367 1.482 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000063020498 360229782 /nfs/dbraw/zinc/22/97/82/360229782.db2.gz AWRYFDNRIAXEJY-UHFFFAOYSA-N 1 0 252.274 1.454 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235680237 360276910 /nfs/dbraw/zinc/27/69/10/360276910.db2.gz VDQKPIXGUKHIJP-WPRPVWTQSA-N 1 0 281.287 1.604 20 5 CDBDRO Cn1c(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000487447294 360370340 /nfs/dbraw/zinc/37/03/40/360370340.db2.gz VLVYCEJGEGEVFZ-QWRGUYRKSA-N 1 0 294.355 1.536 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000162839954 360533125 /nfs/dbraw/zinc/53/31/25/360533125.db2.gz HEDZWHKSFRXXLV-ZWNOBZJWSA-N 1 0 293.323 1.069 20 5 CDBDRO CCCC[N@H+](CCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178563657 189127187 /nfs/dbraw/zinc/12/71/87/189127187.db2.gz QJYBEVKLRPNDJO-AWEZNQCLSA-N 1 0 282.340 1.723 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@](C)(O)C[NH+](C)C)n1 ZINC000178600055 189129996 /nfs/dbraw/zinc/12/99/96/189129996.db2.gz KTKOJQZTXIQBNQ-GFCCVEGCSA-N 1 0 268.317 1.023 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000148811634 283586344 /nfs/dbraw/zinc/58/63/44/283586344.db2.gz OIBGLIKXDVOYHW-JTQLQIEISA-N 1 0 265.313 1.489 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000248558037 361064444 /nfs/dbraw/zinc/06/44/44/361064444.db2.gz AGEFUQHPIXTOLX-BPNCWPANSA-N 1 0 289.335 1.713 20 5 CDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000181555232 189300582 /nfs/dbraw/zinc/30/05/82/189300582.db2.gz SQSYSERCYFNUMF-NSHDSACASA-N 1 0 266.297 1.429 20 5 CDBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccnc1 ZINC000181635795 189303177 /nfs/dbraw/zinc/30/31/77/189303177.db2.gz NXHQDVILODIFSZ-JTQLQIEISA-N 1 0 261.285 1.537 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](C)[NH+](C)C ZINC000455175781 252384381 /nfs/dbraw/zinc/38/43/81/252384381.db2.gz XCDRBTQFWQKZBN-VIFPVBQESA-N 1 0 296.327 1.675 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000168708278 361412148 /nfs/dbraw/zinc/41/21/48/361412148.db2.gz SFAURHSTINLFIC-YRDGOHCCSA-N 1 0 289.335 1.804 20 5 CDBDRO Cc1c(C(=O)N2C[C@H]3CC[C@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000185123961 189404516 /nfs/dbraw/zinc/40/45/16/189404516.db2.gz IVQNYPOOGAOARB-RTXFEEFZSA-N 1 0 289.335 1.713 20 5 CDBDRO C[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000293596864 239282553 /nfs/dbraw/zinc/28/25/53/239282553.db2.gz AMWIKFQIIZHNAA-SECBINFHSA-N 1 0 280.328 1.105 20 5 CDBDRO CCOc1ccc([C@H](C)NC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000580827693 363947342 /nfs/dbraw/zinc/94/73/42/363947342.db2.gz FIDQAEPFUDYBIJ-VIFPVBQESA-N 1 0 265.313 1.616 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c1 ZINC000088147768 364261240 /nfs/dbraw/zinc/26/12/40/364261240.db2.gz KXMFXSAXQKNGLP-QWRGUYRKSA-N 1 0 277.324 1.726 20 5 CDBDRO COCCO[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000189673524 189542708 /nfs/dbraw/zinc/54/27/08/189542708.db2.gz QWGGDAYAOVMCQC-CYBMUJFWSA-N 1 0 280.324 1.832 20 5 CDBDRO C[N@@H+](CCc1ccccc1)CCn1cc([N+](=O)[O-])cn1 ZINC000174822424 364573702 /nfs/dbraw/zinc/57/37/02/364573702.db2.gz NMUOBSMRLFILSD-UHFFFAOYSA-N 1 0 274.324 1.966 20 5 CDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000104364511 364806522 /nfs/dbraw/zinc/80/65/22/364806522.db2.gz XMWDBXDDZQGZMV-JTQLQIEISA-N 1 0 263.297 1.324 20 5 CDBDRO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000351813696 365002454 /nfs/dbraw/zinc/00/24/54/365002454.db2.gz HYOOUMFKVZYADL-GXFFZTMASA-N 1 0 266.297 1.286 20 5 CDBDRO COc1cc(N2CC[C@H]([NH3+])[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000227860757 365022128 /nfs/dbraw/zinc/02/21/28/365022128.db2.gz ATNXFGGYISPWNQ-WPRPVWTQSA-N 1 0 283.303 1.916 20 5 CDBDRO CNc1nc(C(=O)NCC[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000455663156 252401260 /nfs/dbraw/zinc/40/12/60/252401260.db2.gz LGMXWXLTOSVJCH-UHFFFAOYSA-N 1 0 295.343 1.102 20 5 CDBDRO C[C@H](F)CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459509526 366908845 /nfs/dbraw/zinc/90/88/45/366908845.db2.gz MUIAUOGRDWRVAM-NSHDSACASA-N 1 0 282.319 1.860 20 5 CDBDRO C[NH2+]CCCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000414692629 241328415 /nfs/dbraw/zinc/32/84/15/241328415.db2.gz CXFTXPJTCCJDPE-UHFFFAOYSA-N 1 0 266.301 1.634 20 5 CDBDRO [NH3+]C1(c2noc(-c3ccc([N+](=O)[O-])[nH]3)n2)CCCC1 ZINC000414621541 241280242 /nfs/dbraw/zinc/28/02/42/241280242.db2.gz RGHQUMUCCWGORS-UHFFFAOYSA-N 1 0 263.257 1.701 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[NH3+] ZINC000414654908 241303443 /nfs/dbraw/zinc/30/34/43/241303443.db2.gz KBGMUQHPSXUKKK-UHFFFAOYSA-N 1 0 268.273 1.026 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@H](C)[NH3+] ZINC000414653981 241304268 /nfs/dbraw/zinc/30/42/68/241304268.db2.gz FPRIFTGUWGIQNG-VIFPVBQESA-N 1 0 266.301 1.762 20 5 CDBDRO CC(C)(C(=O)N1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000269113447 367134854 /nfs/dbraw/zinc/13/48/54/367134854.db2.gz GCBSJPQWLDGZED-UHFFFAOYSA-N 1 0 291.351 1.694 20 5 CDBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000272185473 367293395 /nfs/dbraw/zinc/29/33/95/367293395.db2.gz MKNOXTBFJMRUTA-SNVBAGLBSA-N 1 0 294.355 1.725 20 5 CDBDRO Cc1nc(N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000272258586 367571292 /nfs/dbraw/zinc/57/12/92/367571292.db2.gz ZPZYGOKGKHWGQD-YPMHNXCESA-N 1 0 276.340 1.829 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000089091154 368829043 /nfs/dbraw/zinc/82/90/43/368829043.db2.gz ASZOXOMMKIZYAT-GWCFXTLKSA-N 1 0 277.324 1.760 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1C[NH2+]CCN1C ZINC000420264081 243995382 /nfs/dbraw/zinc/99/53/82/243995382.db2.gz CPOYHVZWIQPJJP-NSHDSACASA-N 1 0 298.774 1.872 20 5 CDBDRO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[NH2+]1 ZINC000420334582 244101611 /nfs/dbraw/zinc/10/16/11/244101611.db2.gz JDHKWTMONYNHGX-SECBINFHSA-N 1 0 276.296 1.530 20 5 CDBDRO Cc1c(C[N@@H+](C)[C@]2(CO)CCOC2)cccc1[N+](=O)[O-] ZINC000330819212 203273050 /nfs/dbraw/zinc/27/30/50/203273050.db2.gz ONNNUXINPKFHLQ-AWEZNQCLSA-N 1 0 280.324 1.486 20 5 CDBDRO CC[C@@H](NC[C@@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330889415 203358371 /nfs/dbraw/zinc/35/83/71/203358371.db2.gz VEQMYJRFEGSETG-CABCVRRESA-N 1 0 293.367 1.702 20 5 CDBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000331159498 203584823 /nfs/dbraw/zinc/58/48/23/203584823.db2.gz DWUDZMRHTKOEOW-STQMWFEESA-N 1 0 291.351 1.908 20 5 CDBDRO C[N@H+](CCn1nccc1[N+](=O)[O-])Cc1ccccc1 ZINC000295665983 370558171 /nfs/dbraw/zinc/55/81/71/370558171.db2.gz FNUSZMBMWBMBFQ-UHFFFAOYSA-N 1 0 260.297 1.923 20 5 CDBDRO CC[C@@H](CO)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000295716223 370588460 /nfs/dbraw/zinc/58/84/60/370588460.db2.gz NPYIYHMVGFUHKA-NSHDSACASA-N 1 0 295.339 1.544 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422720759 245176884 /nfs/dbraw/zinc/17/68/84/245176884.db2.gz TVZIQCNFHKDXIR-MFKMUULPSA-N 1 0 279.340 1.834 20 5 CDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH2+]C ZINC000422785431 245252772 /nfs/dbraw/zinc/25/27/72/245252772.db2.gz RCTHSDGIQQQUMN-UHFFFAOYSA-N 1 0 283.353 1.656 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC(C)(C)[NH3+] ZINC000422874429 245361025 /nfs/dbraw/zinc/36/10/25/245361025.db2.gz CXASCIIIEHRHME-UHFFFAOYSA-N 1 0 279.340 1.987 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)c1[nH]nc(CCC)c1[N+](=O)[O-] ZINC000236935394 189853036 /nfs/dbraw/zinc/85/30/36/189853036.db2.gz SGXXCDYQOHZKHB-SECBINFHSA-N 1 0 297.359 1.518 20 5 CDBDRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000289814372 197493104 /nfs/dbraw/zinc/49/31/04/197493104.db2.gz ZZZSETIPSIRDSY-KBPBESRZSA-N 1 0 291.351 1.845 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(C3CC3)CC2)c1 ZINC000368332676 373304105 /nfs/dbraw/zinc/30/41/05/373304105.db2.gz QYXHDNHBSMNHKO-UHFFFAOYSA-N 1 0 264.329 1.913 20 5 CDBDRO COc1cc(NCC[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000090998281 373690393 /nfs/dbraw/zinc/69/03/93/373690393.db2.gz YCVDBIYIZZXZTE-UHFFFAOYSA-N 1 0 257.265 1.716 20 5 CDBDRO COc1cc(CN2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000347089847 373741196 /nfs/dbraw/zinc/74/11/96/373741196.db2.gz DQNXRCKLTCHUCL-JTQLQIEISA-N 1 0 295.339 1.393 20 5 CDBDRO C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296086405 373752622 /nfs/dbraw/zinc/75/26/22/373752622.db2.gz XSHBRFZDXDXNHF-QNSHHTMESA-N 1 0 251.286 1.351 20 5 CDBDRO CCc1nn(C)c(NC[C@@H]2CCC[N@H+]2CC)c1[N+](=O)[O-] ZINC000091559426 374041779 /nfs/dbraw/zinc/04/17/79/374041779.db2.gz LKGZXWVRJDFHLT-JTQLQIEISA-N 1 0 281.360 1.787 20 5 CDBDRO COCC[C@@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000547395742 374160076 /nfs/dbraw/zinc/16/00/76/374160076.db2.gz NIXQQDCYEHOXLO-RYUDHWBXSA-N 1 0 282.340 1.951 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000113455175 374257274 /nfs/dbraw/zinc/25/72/74/374257274.db2.gz KXAJKRPUTNZSHN-GFCCVEGCSA-N 1 0 291.351 1.927 20 5 CDBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000368647159 374321457 /nfs/dbraw/zinc/32/14/57/374321457.db2.gz MKJFCZQZZNSYQY-GFCCVEGCSA-N 1 0 275.308 1.467 20 5 CDBDRO CC[C@H](O)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000421853204 374338746 /nfs/dbraw/zinc/33/87/46/374338746.db2.gz IRZVOUYQZVCFLI-MFKMUULPSA-N 1 0 295.339 1.672 20 5 CDBDRO [NH3+][C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C1CCC1 ZINC000423834756 246129045 /nfs/dbraw/zinc/12/90/45/246129045.db2.gz CSHRGOIWXRKJPT-GFCCVEGCSA-N 1 0 297.742 1.992 20 5 CDBDRO [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000423843887 246136698 /nfs/dbraw/zinc/13/66/98/246136698.db2.gz LBQFRDXNMQUJBP-SCZZXKLOSA-N 1 0 297.742 1.992 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CNCCN1C ZINC000423507195 374385264 /nfs/dbraw/zinc/38/52/64/374385264.db2.gz HTFBPFRNYOUJMQ-TZMCWYRMSA-N 1 0 292.383 1.019 20 5 CDBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4c([N+](=O)[O-])ncn4C)[C@H]1[C@H]3C2 ZINC000375738495 374510300 /nfs/dbraw/zinc/51/03/00/374510300.db2.gz OSBQYYHFWHFYJP-ZIIUWJBSSA-N 1 0 292.339 1.184 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCN2CCc3nn[nH]c3C2)cc1 ZINC000429283047 374576132 /nfs/dbraw/zinc/57/61/32/374576132.db2.gz HZGFTXNCRIZIOP-UHFFFAOYSA-N 1 0 289.295 1.150 20 5 CDBDRO CCC[C@]1(CO)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000377544456 374608424 /nfs/dbraw/zinc/60/84/24/374608424.db2.gz PWWRFFRPLFEUCP-ZDUSSCGKSA-N 1 0 282.344 1.276 20 5 CDBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000070149016 374650937 /nfs/dbraw/zinc/65/09/37/374650937.db2.gz WXSXANOFYBKDTC-LLVKDONJSA-N 1 0 277.324 1.938 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000070145327 374651129 /nfs/dbraw/zinc/65/11/29/374651129.db2.gz WNYRKDIFOHRHHX-SKDRFNHKSA-N 1 0 263.297 1.404 20 5 CDBDRO COc1ccc(C(=O)NC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000070447166 374662774 /nfs/dbraw/zinc/66/27/74/374662774.db2.gz RNBRUUJBCWWJOE-SNVBAGLBSA-N 1 0 281.312 1.317 20 5 CDBDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093360719 374747723 /nfs/dbraw/zinc/74/77/23/374747723.db2.gz QCKLXMDBOCGEBZ-CYBMUJFWSA-N 1 0 291.351 1.861 20 5 CDBDRO C[C@H](Nc1ncccc1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000154771521 374748533 /nfs/dbraw/zinc/74/85/33/374748533.db2.gz BGUCFJQLXIYTTH-GXSJLCMTSA-N 1 0 266.301 1.121 20 5 CDBDRO C[C@@H]1C[N@H+](CCCNc2ncc([N+](=O)[O-])cn2)CCCO1 ZINC000277670928 374802213 /nfs/dbraw/zinc/80/22/13/374802213.db2.gz PSKFJXFEVNBTCY-LLVKDONJSA-N 1 0 295.343 1.298 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000277045640 374768178 /nfs/dbraw/zinc/76/81/78/374768178.db2.gz KWROOPLKQGITJH-YUMQZZPRSA-N 1 0 285.731 1.848 20 5 CDBDRO CC(C)COC[C@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037894560 374957589 /nfs/dbraw/zinc/95/75/89/374957589.db2.gz UUFOVJXQAHZIQR-CQSZACIVSA-N 1 0 282.340 1.718 20 5 CDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000096268642 375070032 /nfs/dbraw/zinc/07/00/32/375070032.db2.gz UMEDVIIDEVOMFM-HNNXBMFYSA-N 1 0 289.335 1.763 20 5 CDBDRO C[C@@H](CC[NH+](C)C)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000282259236 375075186 /nfs/dbraw/zinc/07/51/86/375075186.db2.gz SAMBISNZBNIWIQ-VIFPVBQESA-N 1 0 252.318 1.929 20 5 CDBDRO CCN(Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCNC1=O ZINC000282449593 375086337 /nfs/dbraw/zinc/08/63/37/375086337.db2.gz SIKZWZQNSAQAPM-CYBMUJFWSA-N 1 0 277.324 1.614 20 5 CDBDRO COc1ccc(CN(CC(N)=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000131277723 375211492 /nfs/dbraw/zinc/21/14/92/375211492.db2.gz JHKFJRNLYKZBLQ-UHFFFAOYSA-N 1 0 295.339 1.689 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3nn[nH]c3C2)cc1 ZINC000351645612 375315362 /nfs/dbraw/zinc/31/53/62/375315362.db2.gz OEJSBOBPFGWROE-UHFFFAOYSA-N 1 0 273.296 1.314 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000351830400 375333476 /nfs/dbraw/zinc/33/34/76/375333476.db2.gz RMGMPPDHYZTGCR-LLVKDONJSA-N 1 0 294.355 1.387 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000226458789 375344862 /nfs/dbraw/zinc/34/48/62/375344862.db2.gz JSAXSZMDNFIMIG-SNVBAGLBSA-N 1 0 278.312 1.858 20 5 CDBDRO C[C@H]1N(CCn2ccc([N+](=O)[O-])n2)CCOC1(C)C ZINC000357007290 375542177 /nfs/dbraw/zinc/54/21/77/375542177.db2.gz CRLNPIAZDOVCCN-SNVBAGLBSA-N 1 0 268.317 1.291 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CC(C)(C)O)CC2)n1 ZINC000163012472 375583167 /nfs/dbraw/zinc/58/31/67/375583167.db2.gz VBRYHQVKIIQEDC-UHFFFAOYSA-N 1 0 294.355 1.191 20 5 CDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132744553 375584033 /nfs/dbraw/zinc/58/40/33/375584033.db2.gz BPGRKCQFJCNEIK-NSHDSACASA-N 1 0 283.303 1.837 20 5 CDBDRO CO[C@H](C)C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000353198978 375585654 /nfs/dbraw/zinc/58/56/54/375585654.db2.gz ASVYFUGLBLPKKA-LLVKDONJSA-N 1 0 295.339 1.890 20 5 CDBDRO C[C@@H](O)CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000227724006 375599713 /nfs/dbraw/zinc/59/97/13/375599713.db2.gz ZOKKFWANZQUHJJ-LLVKDONJSA-N 1 0 252.314 1.888 20 5 CDBDRO CNC(=O)N[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000344943925 375665330 /nfs/dbraw/zinc/66/53/30/375665330.db2.gz XJHBIBPPGNBSIX-LBPRGKRZSA-N 1 0 292.339 1.407 20 5 CDBDRO C[NH+](C)C[C@@](C)(O)CNc1nc2sccn2c1[N+](=O)[O-] ZINC000133076406 375682322 /nfs/dbraw/zinc/68/23/22/375682322.db2.gz AGZFUIZUHDHNIX-NSHDSACASA-N 1 0 299.356 1.029 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)CC(N)=O ZINC000345043087 375730586 /nfs/dbraw/zinc/73/05/86/375730586.db2.gz DSVWZGWNBMXPHA-YAEJEKNGSA-N 1 0 277.324 1.852 20 5 CDBDRO CC[NH+](CC)C[C@H](C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357187979 375888571 /nfs/dbraw/zinc/88/85/71/375888571.db2.gz QJYAUJPQJBHITN-VIFPVBQESA-N 1 0 295.343 1.231 20 5 CDBDRO COC[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000358323739 375959723 /nfs/dbraw/zinc/95/97/23/375959723.db2.gz BMLNDGKXVWVCKV-WDEREUQCSA-N 1 0 295.339 1.936 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000261711029 190042964 /nfs/dbraw/zinc/04/29/64/190042964.db2.gz PCZYRTJGXHJROV-QWHCGFSZSA-N 1 0 289.335 1.727 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2Cc3cccc(O)c3C2)n1 ZINC000429258260 247446458 /nfs/dbraw/zinc/44/64/58/247446458.db2.gz GZAQAFHSTVAAMK-NSHDSACASA-N 1 0 288.307 1.254 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261728090 190043298 /nfs/dbraw/zinc/04/32/98/190043298.db2.gz QXMPFJZAHKLQOZ-GXTWGEPZSA-N 1 0 289.335 1.348 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000261768244 190043588 /nfs/dbraw/zinc/04/35/88/190043588.db2.gz VPISRVNCOMFZNB-QWHCGFSZSA-N 1 0 289.335 1.727 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261770367 190043901 /nfs/dbraw/zinc/04/39/01/190043901.db2.gz VZNINCFRCIJCEW-UWVGGRQHSA-N 1 0 293.298 1.415 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262059337 190047850 /nfs/dbraw/zinc/04/78/50/190047850.db2.gz IIUSZTKBAONUKE-MNOVXSKESA-N 1 0 291.307 1.267 20 5 CDBDRO CC(C)(C(=O)N[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000262037283 190047920 /nfs/dbraw/zinc/04/79/20/190047920.db2.gz QQIYBTNCROPQMA-LBPRGKRZSA-N 1 0 291.351 1.741 20 5 CDBDRO C[NH2+]CCC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000262389798 190054102 /nfs/dbraw/zinc/05/41/02/190054102.db2.gz OCIJEYSUKODSPX-SNVBAGLBSA-N 1 0 265.313 1.690 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000262467616 190055736 /nfs/dbraw/zinc/05/57/36/190055736.db2.gz XYODVKGCYQCKGD-PSASIEDQSA-N 1 0 279.296 1.110 20 5 CDBDRO CO[C@H](C[NH3+])CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000262952343 190065516 /nfs/dbraw/zinc/06/55/16/190065516.db2.gz VOTUIKGUIFXGOT-PWSUYJOCSA-N 1 0 295.339 1.444 20 5 CDBDRO C[C@@H]([NH2+]C1CC1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000296605950 376579128 /nfs/dbraw/zinc/57/91/28/376579128.db2.gz YTEJOTIQCXXNOG-SECBINFHSA-N 1 0 263.297 1.352 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000189313504 377228809 /nfs/dbraw/zinc/22/88/09/377228809.db2.gz GTRUCNVJMUYXJL-SXDPYWSBSA-N 1 0 289.335 1.865 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261794009 284667202 /nfs/dbraw/zinc/66/72/02/284667202.db2.gz QRVWYWMYHSLTIZ-AWEZNQCLSA-N 1 0 275.308 1.420 20 5 CDBDRO CC[C@H](NC(=O)[C@H]1CC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000444211194 250102339 /nfs/dbraw/zinc/10/23/39/250102339.db2.gz JOPFRFXJOGQQDZ-NWDGAFQWSA-N 1 0 263.297 1.524 20 5 CDBDRO COC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000278694746 194107599 /nfs/dbraw/zinc/10/75/99/194107599.db2.gz QFOCGSPTFXVDBS-KBPBESRZSA-N 1 0 280.324 1.878 20 5 CDBDRO COc1ccc(OCC[N@H+](C)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000266534322 190264957 /nfs/dbraw/zinc/26/49/57/190264957.db2.gz NETOWQZGWYECKI-NSHDSACASA-N 1 0 296.323 1.703 20 5 CDBDRO CC[N@H+](CCCO)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266545242 190265863 /nfs/dbraw/zinc/26/58/63/190265863.db2.gz JIQMXZBNKSDMIB-UHFFFAOYSA-N 1 0 298.339 1.687 20 5 CDBDRO O=[N+]([O-])c1cc(CN2CC[C@H](N3CCOCC3)C2)cs1 ZINC000173936750 379345620 /nfs/dbraw/zinc/34/56/20/379345620.db2.gz QFVMLBAIHOJOOM-LBPRGKRZSA-N 1 0 297.380 1.563 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+](CCO)Cc2ccccc2)c1 ZINC000266898429 190288559 /nfs/dbraw/zinc/28/85/59/190288559.db2.gz HJPKDAIYZGYBMV-UHFFFAOYSA-N 1 0 290.323 1.286 20 5 CDBDRO CNC(=O)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266897880 190289056 /nfs/dbraw/zinc/28/90/56/190289056.db2.gz SUFZBTOQOFTGHY-JTQLQIEISA-N 1 0 265.313 1.772 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000246521525 379596295 /nfs/dbraw/zinc/59/62/95/379596295.db2.gz FTTAZMBHGYOOTK-AAEUAGOBSA-N 1 0 280.328 1.292 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000266913641 190290244 /nfs/dbraw/zinc/29/02/44/190290244.db2.gz XCAIWYZNYWDFCE-GXSJLCMTSA-N 1 0 263.297 1.476 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2c2ccc[nH]2)n1 ZINC000267066344 190301115 /nfs/dbraw/zinc/30/11/15/190301115.db2.gz JTDRIOJZNFHIHA-LBPRGKRZSA-N 1 0 275.312 1.957 20 5 CDBDRO CCC[NH2+][C@H](C)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000449099316 250687035 /nfs/dbraw/zinc/68/70/35/250687035.db2.gz NELDANDXLQNMSA-SNVBAGLBSA-N 1 0 295.339 1.608 20 5 CDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268199323 190385512 /nfs/dbraw/zinc/38/55/12/190385512.db2.gz OJIVUHPFYIYKLB-HZMBPMFUSA-N 1 0 289.335 1.807 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449638244 250943585 /nfs/dbraw/zinc/94/35/85/250943585.db2.gz JUQFOYICYCROLG-YPMHNXCESA-N 1 0 291.351 1.771 20 5 CDBDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000289814379 197493043 /nfs/dbraw/zinc/49/30/43/197493043.db2.gz ZZZSETIPSIRDSY-KGLIPLIRSA-N 1 0 291.351 1.845 20 5 CDBDRO CC(C)[C@](C)([NH2+]CCOc1ccccc1[N+](=O)[O-])C(N)=O ZINC000289300461 197289275 /nfs/dbraw/zinc/28/92/75/197289275.db2.gz IETUJFJFETUHGU-AWEZNQCLSA-N 1 0 295.339 1.463 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493477907 253471849 /nfs/dbraw/zinc/47/18/49/253471849.db2.gz BQDUMIOHKZMPQE-QZPNVGJNSA-N 1 0 281.287 1.601 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000266191177 285166507 /nfs/dbraw/zinc/16/65/07/285166507.db2.gz BOTDTVDILVBZII-LLVKDONJSA-N 1 0 260.297 1.440 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC([C@@H]3CCC[NH2+]3)CC2)nc1 ZINC000063201343 285172355 /nfs/dbraw/zinc/17/23/55/285172355.db2.gz ZQNNGXIDVDPWJQ-LBPRGKRZSA-N 1 0 277.328 1.353 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCc3occc3C2)n1 ZINC000288792655 197167496 /nfs/dbraw/zinc/16/74/96/197167496.db2.gz LGUXHAIWRRLZLJ-UHFFFAOYSA-N 1 0 276.296 1.833 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000281819792 195395985 /nfs/dbraw/zinc/39/59/85/195395985.db2.gz WUPZKWAOPDTHKE-ZYHUDNBSSA-N 1 0 268.317 1.291 20 5 CDBDRO C[C@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163581916 390415471 /nfs/dbraw/zinc/41/54/71/390415471.db2.gz UWVRHXHHPRVTNR-UWVGGRQHSA-N 1 0 295.314 1.791 20 5 CDBDRO Cc1nc(N(C)[C@H]2CC[N@@H+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000450959216 390581805 /nfs/dbraw/zinc/58/18/05/390581805.db2.gz XVZXISVOUFHXPP-NSHDSACASA-N 1 0 279.344 1.612 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@H+](C)CCCOC ZINC000360998220 390618706 /nfs/dbraw/zinc/61/87/06/390618706.db2.gz ZBAODYSUBBEIQF-UHFFFAOYSA-N 1 0 299.375 1.500 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)c1 ZINC000451595129 390634376 /nfs/dbraw/zinc/63/43/76/390634376.db2.gz BVWQMVMOLUEQEO-KGLIPLIRSA-N 1 0 294.355 1.178 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000164002296 390941555 /nfs/dbraw/zinc/94/15/55/390941555.db2.gz QBVVPJXHTNCLDN-GXSJLCMTSA-N 1 0 281.360 1.541 20 5 CDBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1(C[NH3+])CCC1 ZINC000395407783 390883716 /nfs/dbraw/zinc/88/37/16/390883716.db2.gz UYCSPJAGDNXONK-UHFFFAOYSA-N 1 0 277.324 1.477 20 5 CDBDRO COCC(C)(C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411233193 390966229 /nfs/dbraw/zinc/96/62/29/390966229.db2.gz VCPSBBZLWKJRQC-UHFFFAOYSA-N 1 0 295.339 1.938 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366401683 391157302 /nfs/dbraw/zinc/15/73/02/391157302.db2.gz LXGMKGUJPDINAH-XEZLXBQYSA-N 1 0 262.309 1.826 20 5 CDBDRO C[C@H](CO)[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413260848 391185725 /nfs/dbraw/zinc/18/57/25/391185725.db2.gz RNIKCKCCLQFPAO-SNVBAGLBSA-N 1 0 298.318 1.022 20 5 CDBDRO COc1ccc(CN[C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000414954620 391220706 /nfs/dbraw/zinc/22/07/06/391220706.db2.gz STZLBVSFQNTUHZ-PWSUYJOCSA-N 1 0 279.340 1.834 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)CC[NH3+] ZINC000415104577 391259195 /nfs/dbraw/zinc/25/91/95/391259195.db2.gz HEIICGIFILSCTE-UHFFFAOYSA-N 1 0 253.302 1.384 20 5 CDBDRO C[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000408067740 391232428 /nfs/dbraw/zinc/23/24/28/391232428.db2.gz NXXYQKOQBCFNTJ-BDAKNGLRSA-N 1 0 295.368 1.833 20 5 CDBDRO CCc1ccc(OC[C@H](O)C[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000290797847 391432087 /nfs/dbraw/zinc/43/20/87/391432087.db2.gz PESHLIFUGKPVLA-CYBMUJFWSA-N 1 0 294.351 1.991 20 5 CDBDRO COc1ccc(NC(=O)NC[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000415441166 391432279 /nfs/dbraw/zinc/43/22/79/391432279.db2.gz OUEKUGFNPOEUPW-QMMMGPOBSA-N 1 0 282.300 1.320 20 5 CDBDRO CC[NH2+]CCNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000415500892 391467725 /nfs/dbraw/zinc/46/77/25/391467725.db2.gz LXESAJWJSMJDQC-UHFFFAOYSA-N 1 0 282.300 1.334 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415636541 391470213 /nfs/dbraw/zinc/47/02/13/391470213.db2.gz XSNREDGKOJOUPC-CPCISQLKSA-N 1 0 282.275 1.687 20 5 CDBDRO CC[NH2+]CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OCC ZINC000415652114 391470784 /nfs/dbraw/zinc/47/07/84/391470784.db2.gz HGMJZUBUZZHMEW-UHFFFAOYSA-N 1 0 296.327 1.725 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)C[NH3+] ZINC000415653324 391470826 /nfs/dbraw/zinc/47/08/26/391470826.db2.gz IHKJZCSAQIOGDO-SECBINFHSA-N 1 0 296.327 1.710 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000567925262 391548117 /nfs/dbraw/zinc/54/81/17/391548117.db2.gz HVFHUCGMSPIBTF-NXEZZACHSA-N 1 0 280.328 1.249 20 5 CDBDRO C[C@@H](CCCC[NH3+])NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000495099944 391903724 /nfs/dbraw/zinc/90/37/24/391903724.db2.gz HBHBDEWYFNXNDJ-JTQLQIEISA-N 1 0 297.359 1.160 20 5 CDBDRO CC[C@H](C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000419218009 392887425 /nfs/dbraw/zinc/88/74/25/392887425.db2.gz FKLVAWKFUWXVBY-WCQYABFASA-N 1 0 294.355 1.901 20 5 CDBDRO CC1(C)[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@@H]2CCO[C@H]21 ZINC000521698069 392867800 /nfs/dbraw/zinc/86/78/00/392867800.db2.gz DUNBMDHYKAIORH-QJPTWQEYSA-N 1 0 280.328 1.194 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)N(C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000417851214 392874109 /nfs/dbraw/zinc/87/41/09/392874109.db2.gz NFNNTLXNTZIAHL-QWRGUYRKSA-N 1 0 294.355 1.953 20 5 CDBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccccc1[N+](=O)[O-] ZINC000368647860 392938817 /nfs/dbraw/zinc/93/88/17/392938817.db2.gz OSVHDOSJYCFPDC-LBPRGKRZSA-N 1 0 275.308 1.467 20 5 CDBDRO [NH3+]CCCN(CC1CCCC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000423631403 392965258 /nfs/dbraw/zinc/96/52/58/392965258.db2.gz GSRMNBBOFONSJI-UHFFFAOYSA-N 1 0 295.343 1.299 20 5 CDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@H](C)[NH3+] ZINC000423669907 392965706 /nfs/dbraw/zinc/96/57/06/392965706.db2.gz AEMCPYBJFHFAMG-DTWKUNHWSA-N 1 0 288.307 1.609 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[NH2+]C)c1 ZINC000423639486 392965975 /nfs/dbraw/zinc/96/59/75/392965975.db2.gz VQZRKGYTKSRXJU-SECBINFHSA-N 1 0 281.312 1.331 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](CO)[C@@H]1C ZINC000430240226 393094672 /nfs/dbraw/zinc/09/46/72/393094672.db2.gz LZOAXEOZFQCMFJ-JQWIXIFHSA-N 1 0 280.324 1.806 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CN(C)CCO1 ZINC000449135883 393129285 /nfs/dbraw/zinc/12/92/85/393129285.db2.gz SEOPDBAKDSSYBE-GXTWGEPZSA-N 1 0 293.367 1.446 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000449101759 393129926 /nfs/dbraw/zinc/12/99/26/393129926.db2.gz VMYZAZUQSWDPKJ-VIFPVBQESA-N 1 0 293.323 1.360 20 5 CDBDRO CCc1ccc(C(=O)N[C@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000449600166 393135411 /nfs/dbraw/zinc/13/54/11/393135411.db2.gz IWLBEPDSJJCGQA-RKDXNWHRSA-N 1 0 265.313 1.623 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1C[NH2+]CCC1(F)F ZINC000449656836 393136914 /nfs/dbraw/zinc/13/69/14/393136914.db2.gz MOBXELMZWAWAJV-NSHDSACASA-N 1 0 299.277 1.251 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280805065 393151729 /nfs/dbraw/zinc/15/17/29/393151729.db2.gz SMGMEHRUQAKZJX-HZMBPMFUSA-N 1 0 277.324 1.853 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000281834831 393159751 /nfs/dbraw/zinc/15/97/51/393159751.db2.gz INUHJOOMFKQBRN-VXNVDRBHSA-N 1 0 268.342 1.946 20 5 CDBDRO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000132585484 393228827 /nfs/dbraw/zinc/22/88/27/393228827.db2.gz NDLRMVHGBIGMIC-NXEZZACHSA-N 1 0 295.314 1.852 20 5 CDBDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000350321655 393197262 /nfs/dbraw/zinc/19/72/62/393197262.db2.gz RPZWGIHSOCEBMO-CQSZACIVSA-N 1 0 296.323 1.653 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000224437895 140173487 /nfs/dbraw/zinc/17/34/87/140173487.db2.gz FUQKFXSTJKVODL-GMSGAONNSA-N 1 0 260.240 1.871 20 5 CDBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000079050054 139653577 /nfs/dbraw/zinc/65/35/77/139653577.db2.gz QLNKCZJAOGNTSN-CYBMUJFWSA-N 1 0 295.314 1.804 20 5 CDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1ncccc1[N+](=O)[O-] ZINC000275840931 135113734 /nfs/dbraw/zinc/11/37/34/135113734.db2.gz PVDFJSQQOJBSGA-LLVKDONJSA-N 1 0 294.355 1.271 20 5 CDBDRO COc1cc(NC[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000133813989 139872547 /nfs/dbraw/zinc/87/25/47/139872547.db2.gz AUGDXIZNLBDBGW-SECBINFHSA-N 1 0 251.286 1.625 20 5 CDBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000186338877 140059258 /nfs/dbraw/zinc/05/92/58/140059258.db2.gz VBCNEZKWRVLFTK-OLZOCXBDSA-N 1 0 296.371 1.975 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1(C)CC[NH2+]CC1 ZINC000189333203 140113691 /nfs/dbraw/zinc/11/36/91/140113691.db2.gz IVZOWQUOQHOCDO-UHFFFAOYSA-N 1 0 277.324 1.775 20 5 CDBDRO COCC[NH2+]CCNc1ccc(C)cc1[N+](=O)[O-] ZINC000215510912 140161700 /nfs/dbraw/zinc/16/17/00/140161700.db2.gz BVMVMXVMXAJPJO-UHFFFAOYSA-N 1 0 253.302 1.551 20 5 CDBDRO COc1cc(NC[C@@H]2CCC[NH2+]2)c(F)cc1[N+](=O)[O-] ZINC000227860018 140188504 /nfs/dbraw/zinc/18/85/04/140188504.db2.gz HYUHVUHTWKOSTR-QMMMGPOBSA-N 1 0 269.276 1.906 20 5 CDBDRO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000245889181 140279076 /nfs/dbraw/zinc/27/90/76/140279076.db2.gz JJLMCEOMDHUEBG-WDEREUQCSA-N 1 0 252.318 1.769 20 5 CDBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000249529655 140295187 /nfs/dbraw/zinc/29/51/87/140295187.db2.gz ZVEBGXDEZJUREW-OLZOCXBDSA-N 1 0 293.367 1.482 20 5 CDBDRO O=[N+]([O-])c1ccc(CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000252667292 140321759 /nfs/dbraw/zinc/32/17/59/140321759.db2.gz IFQSMYHTDFJCBU-GJZGRUSLSA-N 1 0 291.351 1.548 20 5 CDBDRO C[NH2+]CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000261562006 140348403 /nfs/dbraw/zinc/34/84/03/140348403.db2.gz VXCIOJIGPHRBSK-UHFFFAOYSA-N 1 0 253.287 1.231 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000261609727 140364088 /nfs/dbraw/zinc/36/40/88/140364088.db2.gz APCSJGNRXIVNCP-QWRGUYRKSA-N 1 0 293.323 1.169 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000261735142 140382030 /nfs/dbraw/zinc/38/20/30/140382030.db2.gz RRLOOUHDCXWTFR-HNNXBMFYSA-N 1 0 290.367 1.074 20 5 CDBDRO C[NH2+]CCN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423225928 397602833 /nfs/dbraw/zinc/60/28/33/397602833.db2.gz OTSMYQTZKMSRSG-ZDUSSCGKSA-N 1 0 263.341 1.725 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC([NH3+])CC1 ZINC000092713881 147023161 /nfs/dbraw/zinc/02/31/61/147023161.db2.gz BKLFWRBTQNZVGP-UHFFFAOYSA-N 1 0 292.339 1.265 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000094341905 147084107 /nfs/dbraw/zinc/08/41/07/147084107.db2.gz DUGUGXXPLFHUOJ-GWCFXTLKSA-N 1 0 279.340 1.773 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000127694464 147566437 /nfs/dbraw/zinc/56/64/37/147566437.db2.gz BORKJBSIOOUCFI-LLVKDONJSA-N 1 0 281.287 1.558 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(CO)CCC2)cs1 ZINC000184376216 148346549 /nfs/dbraw/zinc/34/65/49/148346549.db2.gz PQLPTTOIXLDJIC-UHFFFAOYSA-N 1 0 256.327 1.909 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000262499134 149069471 /nfs/dbraw/zinc/06/94/71/149069471.db2.gz XOFCWRMGBFCMDK-MRVPVSSYSA-N 1 0 285.731 1.976 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000262763068 149112154 /nfs/dbraw/zinc/11/21/54/149112154.db2.gz IULFBGWWZARNJO-GHMZBOCLSA-N 1 0 292.339 1.216 20 5 CDBDRO C[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000305729106 149147186 /nfs/dbraw/zinc/14/71/86/149147186.db2.gz MRHMQBAASYSSMG-NTZNESFSSA-N 1 0 282.344 1.130 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000334041757 149305610 /nfs/dbraw/zinc/30/56/10/149305610.db2.gz BQUJAPHEJRRLOR-ONGXEEELSA-N 1 0 292.339 1.511 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000343785430 152301895 /nfs/dbraw/zinc/30/18/95/152301895.db2.gz ATSHJIIXWDYINB-QMMMGPOBSA-N 1 0 266.301 1.056 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000346177846 153085913 /nfs/dbraw/zinc/08/59/13/153085913.db2.gz GMDCYJPLVZEGSB-SSDOTTSWSA-N 1 0 257.315 1.336 20 5 CDBDRO C[C@@H](C(=O)N[C@@H](C)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000346223600 153102866 /nfs/dbraw/zinc/10/28/66/153102866.db2.gz MPFQMDKDBWOJIG-VHSXEESVSA-N 1 0 297.330 1.904 20 5 CDBDRO CC(C)([NH3+])CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000346863646 153331999 /nfs/dbraw/zinc/33/19/99/153331999.db2.gz XRBMWDUACCXTPL-UHFFFAOYSA-N 1 0 278.356 1.454 20 5 CDBDRO CN(Cc1csc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000347046508 153392089 /nfs/dbraw/zinc/39/20/89/153392089.db2.gz OJWHSLJNQIGROK-UHFFFAOYSA-N 1 0 255.343 1.840 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCC[C@H]2OC(F)F)n1 ZINC000348520244 153914422 /nfs/dbraw/zinc/91/44/22/153914422.db2.gz ISRQITHAIBJYIY-DTWKUNHWSA-N 1 0 290.270 1.541 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000349932855 154275931 /nfs/dbraw/zinc/27/59/31/154275931.db2.gz DEKNTGXWHOMMAU-JTQLQIEISA-N 1 0 281.312 1.217 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000310821967 289423254 /nfs/dbraw/zinc/42/32/54/289423254.db2.gz BUFLKYZNPBYHEU-ZETCQYMHSA-N 1 0 271.704 1.715 20 5 CDBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC(O)C1 ZINC000353485894 155890893 /nfs/dbraw/zinc/89/08/93/155890893.db2.gz VZAKGKZWZKZBHZ-UHFFFAOYSA-N 1 0 280.324 1.819 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1C1CC1 ZINC000372349152 160109503 /nfs/dbraw/zinc/10/95/03/160109503.db2.gz INWPMGVOHLVUPM-ZDUSSCGKSA-N 1 0 277.324 1.631 20 5 CDBDRO C[C@@H]1COCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000374338008 160274817 /nfs/dbraw/zinc/27/48/17/160274817.db2.gz BFSVPDWVGDUEKV-LBPRGKRZSA-N 1 0 280.324 1.942 20 5 CDBDRO C[C@@]1([NH2+]CCn2cc([N+](=O)[O-])cn2)CCO[C@@H]1C1CC1 ZINC000374634117 160302508 /nfs/dbraw/zinc/30/25/08/160302508.db2.gz YNEUXDTXAWCOBS-CHWSQXEVSA-N 1 0 280.328 1.339 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000036932634 287048960 /nfs/dbraw/zinc/04/89/60/287048960.db2.gz MGZMLKUGHUUQJC-QWHCGFSZSA-N 1 0 293.367 1.966 20 5 CDBDRO O=C(CN1CC[NH2+]CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000037395749 173176026 /nfs/dbraw/zinc/17/60/26/173176026.db2.gz UEAPQADSZLRJEB-UHFFFAOYSA-N 1 0 298.730 1.092 20 5 CDBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])s1 ZINC000044491979 175181144 /nfs/dbraw/zinc/18/11/44/175181144.db2.gz VCADSUYVGMOEFQ-MRVPVSSYSA-N 1 0 269.326 1.528 20 5 CDBDRO Cc1ccc(C(=O)NC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000044501762 175185847 /nfs/dbraw/zinc/18/58/47/175185847.db2.gz CCDLELZSIATOFS-NSHDSACASA-N 1 0 277.324 1.633 20 5 CDBDRO O=C(NCC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1F ZINC000044503508 175186757 /nfs/dbraw/zinc/18/67/57/175186757.db2.gz PUKDKCSEXFIPAA-UHFFFAOYSA-N 1 0 281.287 1.463 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000044528245 175193199 /nfs/dbraw/zinc/19/31/99/175193199.db2.gz ILJGJFMFTLHXPB-JTQLQIEISA-N 1 0 263.297 1.406 20 5 CDBDRO CC(C)(O)C[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000070939957 176014203 /nfs/dbraw/zinc/01/42/03/176014203.db2.gz CRHQWTYXTMZYOB-UHFFFAOYSA-N 1 0 293.367 1.483 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000071143864 176040959 /nfs/dbraw/zinc/04/09/59/176040959.db2.gz WHIXRVWWDITGFC-NNNHXZLVSA-N 1 0 289.335 1.676 20 5 CDBDRO CCCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000071315211 176121390 /nfs/dbraw/zinc/12/13/90/176121390.db2.gz UZFLDVDHGKAPLK-NSHDSACASA-N 1 0 295.314 1.948 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000261664930 292587763 /nfs/dbraw/zinc/58/77/63/292587763.db2.gz FKUABMOLDHHDAT-ZJUUUORDSA-N 1 0 299.352 1.013 20 5 CDBDRO [NH3+]C[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000087383572 270230746 /nfs/dbraw/zinc/23/07/46/270230746.db2.gz VFXUPIVNOOJWNO-LVDDQXARSA-N 1 0 275.308 1.462 20 5 CDBDRO CNc1ccc(C(=O)N2CCC[C@H]2C[NH2+]C)cc1[N+](=O)[O-] ZINC000514938051 270416935 /nfs/dbraw/zinc/41/69/35/270416935.db2.gz WJFRBDGAMDEPPR-NSHDSACASA-N 1 0 292.339 1.461 20 5 CDBDRO COCC[N@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000131887663 274034772 /nfs/dbraw/zinc/03/47/72/274034772.db2.gz SZEJGMPBRUTKQN-TXEJJXNPSA-N 1 0 294.355 1.535 20 5 CDBDRO CO[C@H]1COC[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000289817133 274081403 /nfs/dbraw/zinc/08/14/03/274081403.db2.gz NLFVWDGMZIDPTJ-JRCXTIHVSA-N 1 0 278.308 1.611 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261703494 274118422 /nfs/dbraw/zinc/11/84/22/274118422.db2.gz IVCBRLMXBAOCKA-AWEZNQCLSA-N 1 0 277.324 1.793 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[NH2+]CC1 ZINC000422701509 274686137 /nfs/dbraw/zinc/68/61/37/274686137.db2.gz ISVHGFIOZLZONS-UHFFFAOYSA-N 1 0 277.324 1.565 20 5 CDBDRO Cc1nc(N2CC[C@H]([NH+]3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000268432076 274842541 /nfs/dbraw/zinc/84/25/41/274842541.db2.gz BKNFWYMQLNCDLQ-LBPRGKRZSA-N 1 0 274.324 1.749 20 5 CDBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CCC[NH2+]C2)s1 ZINC000261576837 275034206 /nfs/dbraw/zinc/03/42/06/275034206.db2.gz CHKJCCHYJDUWJV-SSDOTTSWSA-N 1 0 279.325 1.763 20 5 CDBDRO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000148095194 275842436 /nfs/dbraw/zinc/84/24/36/275842436.db2.gz HGGZNKKRQMQLRW-UHFFFAOYSA-N 1 0 281.287 1.558 20 5 CDBDRO CC(C)[C@H](C[NH3+])C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000433148514 276016324 /nfs/dbraw/zinc/01/63/24/276016324.db2.gz REMRXQYPZJWIAP-NSHDSACASA-N 1 0 294.355 1.354 20 5 CDBDRO CCN(Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCC[NH2+]CC1 ZINC000435616979 276353440 /nfs/dbraw/zinc/35/34/40/276353440.db2.gz VGFCVFANOVWQKL-NSHDSACASA-N 1 0 281.360 1.292 20 5 CDBDRO C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413032062 277031899 /nfs/dbraw/zinc/03/18/99/277031899.db2.gz JXWOCWXRPDWRIU-UHFFFAOYSA-N 1 0 254.265 1.635 20 5 CDBDRO C[NH2+]CC1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000063166407 277265136 /nfs/dbraw/zinc/26/51/36/277265136.db2.gz PIPNUKVSIQQQGT-UHFFFAOYSA-N 1 0 292.339 1.130 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000127697897 277284997 /nfs/dbraw/zinc/28/49/97/277284997.db2.gz RVABFASRENSRNQ-GFCCVEGCSA-N 1 0 277.324 1.727 20 5 CDBDRO COc1cc(N2C[C@@H](C)[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000086471009 277382316 /nfs/dbraw/zinc/38/23/16/277382316.db2.gz MUYVLTBKISMVJG-ZJUUUORDSA-N 1 0 265.313 1.790 20 5 CDBDRO CO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000167218623 277654156 /nfs/dbraw/zinc/65/41/56/277654156.db2.gz GHXHGIJXPNSKSB-QWHCGFSZSA-N 1 0 293.323 1.173 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000125167718 278837579 /nfs/dbraw/zinc/83/75/79/278837579.db2.gz ZUZGNOWQPGGRHC-MRVPVSSYSA-N 1 0 283.715 1.682 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000104261405 279295572 /nfs/dbraw/zinc/29/55/72/279295572.db2.gz PANOHOGHQQOEEG-VVEJJEBESA-N 1 0 275.308 1.558 20 5 CDBDRO C[C@H]([NH2+]CCN1CCNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000296692626 279469877 /nfs/dbraw/zinc/46/98/77/279469877.db2.gz JXWSXGYICXDUHA-JTQLQIEISA-N 1 0 278.312 1.271 20 5 CDBDRO C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000086469317 279860253 /nfs/dbraw/zinc/86/02/53/279860253.db2.gz AHOWYZYMQWBRQJ-RYUDHWBXSA-N 1 0 263.341 1.820 20 5 CDBDRO C[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000086470819 279865648 /nfs/dbraw/zinc/86/56/48/279865648.db2.gz ZFBNXFUBDZKWGV-UWVGGRQHSA-N 1 0 267.304 1.916 20 5 CDBDRO C[C@]1(C(N)=O)CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000361556739 280152173 /nfs/dbraw/zinc/15/21/73/280152173.db2.gz KNBGPFPRYSRQGO-ZDUSSCGKSA-N 1 0 297.742 1.946 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCC1(CO)CC1 ZINC000395931187 280694870 /nfs/dbraw/zinc/69/48/70/280694870.db2.gz JFPDQLCGGSAFDT-UHFFFAOYSA-N 1 0 250.298 1.847 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CC=CC3)C2)n1 ZINC000178239423 281012996 /nfs/dbraw/zinc/01/29/96/281012996.db2.gz YMYCYMVTGDCFJY-GFCCVEGCSA-N 1 0 274.324 1.749 20 5 CDBDRO CC1=CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000556828971 290305381 /nfs/dbraw/zinc/30/53/81/290305381.db2.gz ABIFTDLPLFNMKO-NSHDSACASA-N 1 0 250.302 1.880 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000561768802 293102685 /nfs/dbraw/zinc/10/26/85/293102685.db2.gz VSXVSFGJIGDFMU-QWRGUYRKSA-N 1 0 279.340 1.765 20 5 CDBDRO CCN(C)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000564705583 293396757 /nfs/dbraw/zinc/39/67/57/293396757.db2.gz KDRZYHASVGQFFK-STQMWFEESA-N 1 0 295.387 1.816 20 5 CDBDRO [NH3+][C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000564823628 293423195 /nfs/dbraw/zinc/42/31/95/293423195.db2.gz MIEODYFNMPEUTN-CYBMUJFWSA-N 1 0 293.323 1.217 20 5 CDBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000165558647 295260260 /nfs/dbraw/zinc/26/02/60/295260260.db2.gz GLDKOCGTBZVJOK-SECBINFHSA-N 1 0 299.714 1.048 20 5 CDBDRO Cc1cccc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c1[N+](=O)[O-] ZINC000235659184 301954370 /nfs/dbraw/zinc/95/43/70/301954370.db2.gz UJYLBYCDUNKQAL-ONGXEEELSA-N 1 0 263.297 1.322 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000089092028 303425121 /nfs/dbraw/zinc/42/51/21/303425121.db2.gz INZKWFMAWOACIV-SKDRFNHKSA-N 1 0 299.352 1.001 20 5 CDBDRO C[N@@H+]1CC[C@@H](c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)C1 ZINC000349912122 316140818 /nfs/dbraw/zinc/14/08/18/316140818.db2.gz JKBVGYMWEMOELW-SECBINFHSA-N 1 0 289.295 1.646 20 5 CDBDRO COC(C)(C)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576862991 317221124 /nfs/dbraw/zinc/22/11/24/317221124.db2.gz IRXLOXUNPPVQRI-LBPRGKRZSA-N 1 0 298.339 1.349 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000382439724 323640516 /nfs/dbraw/zinc/64/05/16/323640516.db2.gz ZKHFNAMBIXDFHZ-FTBGMHHGSA-N 1 0 289.335 1.852 20 5 CDBDRO Cc1c(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000382452972 323641605 /nfs/dbraw/zinc/64/16/05/323641605.db2.gz OHEHJEHCMNOJHJ-MNOVXSKESA-N 1 0 277.324 1.760 20 5 CDBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000382775085 323651156 /nfs/dbraw/zinc/65/11/56/323651156.db2.gz OAKCJPIALZSLBE-KGLIPLIRSA-N 1 0 296.371 1.711 20 5 CDBDRO [NH3+]CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(F)F ZINC000383481727 323669088 /nfs/dbraw/zinc/66/90/88/323669088.db2.gz UPCYYHPMALVDTO-VIFPVBQESA-N 1 0 273.239 1.307 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000389762307 323810281 /nfs/dbraw/zinc/81/02/81/323810281.db2.gz YRYPDVOVZSSUKB-WCBMZHEXSA-N 1 0 297.742 1.976 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC2(CC[NH2+]C2)CC1 ZINC000581122439 324655429 /nfs/dbraw/zinc/65/54/29/324655429.db2.gz OAWFHVLLWYXMFQ-UHFFFAOYSA-N 1 0 293.371 1.700 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000582241563 324937724 /nfs/dbraw/zinc/93/77/24/324937724.db2.gz YKNQLMGMDPJHQZ-HTQZYQBOSA-N 1 0 284.291 1.981 20 5 CDBDRO CC[NH+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H](C)C1 ZINC000582988580 325084370 /nfs/dbraw/zinc/08/43/70/325084370.db2.gz ILKSXCIJRVGLOB-QWRGUYRKSA-N 1 0 294.355 1.488 20 5 CDBDRO C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000218428428 329469875 /nfs/dbraw/zinc/46/98/75/329469875.db2.gz UWXHWGMSLFTCIB-MBNYWOFBSA-N 1 0 296.371 1.568 20 5 CDBDRO COC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168998480 1161996669 /nfs/dbraw/zinc/99/66/69/1161996669.db2.gz NMYPWLZMEFFVOI-NDBYEHHHSA-N 1 0 284.356 1.753 20 5 CDBDRO CC(C)NC(=O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000047889341 519703646 /nfs/dbraw/zinc/70/36/46/519703646.db2.gz UPZHOKKPAMEQIV-UHFFFAOYSA-N 1 0 265.313 1.599 20 5 CDBDRO CC[NH+](CC)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000146952301 520664184 /nfs/dbraw/zinc/66/41/84/520664184.db2.gz YGRGRTMUCGKJDZ-UHFFFAOYSA-N 1 0 291.307 1.533 20 5 CDBDRO CCOCC(C)(C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000339367617 521671444 /nfs/dbraw/zinc/67/14/44/521671444.db2.gz ZDDDZDWKPXUYOA-UHFFFAOYSA-N 1 0 256.306 1.196 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000053202360 522492527 /nfs/dbraw/zinc/49/25/27/522492527.db2.gz CYFYQFQZZOZANN-LBPRGKRZSA-N 1 0 277.324 1.348 20 5 CDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000070170055 527192184 /nfs/dbraw/zinc/19/21/84/527192184.db2.gz WPFIVAIWIIKHNY-VIFPVBQESA-N 1 0 283.353 1.857 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000269274669 529053050 /nfs/dbraw/zinc/05/30/50/529053050.db2.gz NXSFMKAICQEEBI-LLVKDONJSA-N 1 0 294.355 1.131 20 5 CDBDRO CCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000423951999 535703224 /nfs/dbraw/zinc/70/32/24/535703224.db2.gz MKVXBANAEQJYGL-MWLCHTKSSA-N 1 0 293.323 1.413 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250460762 536144470 /nfs/dbraw/zinc/14/44/70/536144470.db2.gz WVDGXPAKMFJDRJ-ONGXEEELSA-N 1 0 281.360 1.683 20 5 CDBDRO CCc1nn(C)c(NCC2([NH3+])CCCCC2)c1[N+](=O)[O-] ZINC000261672358 536181173 /nfs/dbraw/zinc/18/11/73/536181173.db2.gz GBLOOVUMWVOPNF-UHFFFAOYSA-N 1 0 281.360 1.964 20 5 CDBDRO CCc1nn(C)c(NC[C@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420294289 536182106 /nfs/dbraw/zinc/18/21/06/536182106.db2.gz YWNWSVPLIBTEOD-VHSXEESVSA-N 1 0 281.360 1.820 20 5 CDBDRO COc1cc(CN(C)C2CC([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000414768542 536746241 /nfs/dbraw/zinc/74/62/41/536746241.db2.gz IKLTWLZHZHOFNN-UHFFFAOYSA-N 1 0 295.339 1.534 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+](C)C1CC1 ZINC000426909848 536885486 /nfs/dbraw/zinc/88/54/86/536885486.db2.gz SCIUJNPKPYBGJA-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC(C)(C)CC[NH3+] ZINC000422579034 536886977 /nfs/dbraw/zinc/88/69/77/536886977.db2.gz XLFORCYYFYRYOR-UHFFFAOYSA-N 1 0 296.327 1.852 20 5 CDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000733166447 575102721 /nfs/dbraw/zinc/10/27/21/575102721.db2.gz PVMHEGMBEKAHRU-AWEZNQCLSA-N 1 0 293.367 1.840 20 5 CDBDRO C[C@H]([NH2+]C1CCN(C=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000774135475 575183383 /nfs/dbraw/zinc/18/33/83/575183383.db2.gz CGOHZNNHCKGMPW-NSHDSACASA-N 1 0 277.324 1.866 20 5 CDBDRO COc1cc(C[NH2+][C@@H](CCO)C2CC2)c([N+](=O)[O-])cc1F ZINC000771805687 575614615 /nfs/dbraw/zinc/61/46/15/575614615.db2.gz SPMDPHDTZVDPDO-LBPRGKRZSA-N 1 0 298.314 1.993 20 5 CDBDRO COC[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000739868067 576392250 /nfs/dbraw/zinc/39/22/50/576392250.db2.gz DIVXXMKKUPGPTJ-NSHDSACASA-N 1 0 290.323 1.870 20 5 CDBDRO C[C@@]1(CO)CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000759893727 576441350 /nfs/dbraw/zinc/44/13/50/576441350.db2.gz OJRTVPRXSYXAJI-KGLIPLIRSA-N 1 0 280.324 1.475 20 5 CDBDRO C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000761078302 576543778 /nfs/dbraw/zinc/54/37/78/576543778.db2.gz BKFXMJMYPJLLCC-LBPRGKRZSA-N 1 0 263.341 1.773 20 5 CDBDRO CCC[NH+]1CCN(c2ccc3nonc3c2[N+](=O)[O-])CC1 ZINC000891479565 617433133 /nfs/dbraw/zinc/43/31/33/617433133.db2.gz KAKSPMYQWNWZNE-UHFFFAOYSA-N 1 0 291.311 1.663 20 5 CDBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2c([N+](=O)[O-])cnn2C)C1 ZINC000891571772 617485814 /nfs/dbraw/zinc/48/58/14/617485814.db2.gz DRATZUNQTBMJGR-LLVKDONJSA-N 1 0 297.359 1.097 20 5 CDBDRO O=[N+]([O-])c1cccc(CCN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000925628997 617576487 /nfs/dbraw/zinc/57/64/87/617576487.db2.gz JJLCPYRQNQPTEB-RHMLRGBNSA-N 1 0 287.363 1.723 20 5 CDBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000893329415 617583347 /nfs/dbraw/zinc/58/33/47/617583347.db2.gz QOZHIBZJJCFLTN-JQWIXIFHSA-N 1 0 298.364 1.508 20 5 CDBDRO CCC[N@H+](C)C[C@@H]1CCN(c2c([N+](=O)[O-])cnn2C)C1 ZINC000892721392 617654627 /nfs/dbraw/zinc/65/46/27/617654627.db2.gz MLRWKWZOZYBNQN-NSHDSACASA-N 1 0 281.360 1.496 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC000892792915 617754271 /nfs/dbraw/zinc/75/42/71/617754271.db2.gz LLUXKWBOBAUKOQ-CQSZACIVSA-N 1 0 292.339 1.147 20 5 CDBDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000922591124 618277137 /nfs/dbraw/zinc/27/71/37/618277137.db2.gz PHYSVHVLXPBFJD-CQSZACIVSA-N 1 0 293.367 1.795 20 5 CDBDRO O=C(Nc1ccccc1)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000791052749 618739362 /nfs/dbraw/zinc/73/93/62/618739362.db2.gz BMUVJYAZDRAKDM-UHFFFAOYSA-N 1 0 277.324 1.614 20 5 CDBDRO COc1cc(C[NH2+]C[C@H]2COCO2)c([N+](=O)[O-])cc1OC ZINC000894869599 619111522 /nfs/dbraw/zinc/11/15/22/619111522.db2.gz CNZSGVZNYGBCLI-JTQLQIEISA-N 1 0 298.295 1.075 20 5 CDBDRO CON(C)C(=O)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000895046265 619222297 /nfs/dbraw/zinc/22/22/97/619222297.db2.gz FXQJPINQVHEXCB-UHFFFAOYSA-N 1 0 281.312 1.321 20 5 CDBDRO Cc1cc(N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)ncc1[N+](=O)[O-] ZINC000895247447 619492988 /nfs/dbraw/zinc/49/29/88/619492988.db2.gz TXLNJQIPTCEPAP-WCQYABFASA-N 1 0 293.371 1.344 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000899871379 622497105 /nfs/dbraw/zinc/49/71/05/622497105.db2.gz QAYIFTQTWZGLFU-UHFFFAOYSA-N 1 0 278.230 1.951 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000905110958 626625216 /nfs/dbraw/zinc/62/52/16/626625216.db2.gz UBGAEZSEVQIAHN-UHFFFAOYSA-N 1 0 287.429 1.604 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC000905160877 626672818 /nfs/dbraw/zinc/67/28/18/626672818.db2.gz UBPWGABUXYELIO-UHFFFAOYSA-N 1 0 266.297 1.257 20 5 CDBDRO O=[N+]([O-])CCNC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000905232341 626686511 /nfs/dbraw/zinc/68/65/11/626686511.db2.gz NRDSNJKUALNYDP-HNNXBMFYSA-N 1 0 293.367 1.144 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000905343951 626759776 /nfs/dbraw/zinc/75/97/76/626759776.db2.gz IKXUMTIPBLUJSO-CQSZACIVSA-N 1 0 260.293 1.740 20 5 CDBDRO CCC[C@@H](O)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905587999 626879086 /nfs/dbraw/zinc/87/90/86/626879086.db2.gz JSEMHWCNAGHKQV-ZIAGYGMSSA-N 1 0 282.340 1.769 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000905687938 626917161 /nfs/dbraw/zinc/91/71/61/626917161.db2.gz YWVNMCDTSMSXLT-ZJUUUORDSA-N 1 0 287.323 1.805 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC[C@H](O)C2CC2)c1 ZINC000905690212 626918313 /nfs/dbraw/zinc/91/83/13/626918313.db2.gz GITPBEYETFSSCC-KBPBESRZSA-N 1 0 280.324 1.379 20 5 CDBDRO [NH3+]CCCSCCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000912262352 629875637 /nfs/dbraw/zinc/87/56/37/629875637.db2.gz QSZPTUZOJIIKSY-UHFFFAOYSA-N 1 0 297.380 1.683 20 5 CDBDRO CC(=O)c1ccc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000916741751 632070339 /nfs/dbraw/zinc/07/03/39/632070339.db2.gz KOGJZHHHKPYVRT-RYUDHWBXSA-N 1 0 275.308 1.453 20 5 CDBDRO CC[N@H+](CCOC)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000921046887 632872191 /nfs/dbraw/zinc/87/21/91/632872191.db2.gz QDYLQGDBYOKJEK-UHFFFAOYSA-N 1 0 278.312 1.870 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000063192393 694883171 /nfs/dbraw/zinc/88/31/71/694883171.db2.gz FXPJOUQCLOTRSU-SCZZXKLOSA-N 1 0 283.353 1.998 20 5 CDBDRO CCc1ccc(C(=O)NC[C@@H]2CC[N@H+]2CC)cc1[N+](=O)[O-] ZINC000882487285 693887846 /nfs/dbraw/zinc/88/78/46/693887846.db2.gz CKWFQIIXRYSRBR-ZDUSSCGKSA-N 1 0 291.351 1.981 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@@H]1CC[NH2+]C1)CC2 ZINC000843496120 693892962 /nfs/dbraw/zinc/89/29/62/693892962.db2.gz ZPTCTLPSCJOWJN-NSHDSACASA-N 1 0 289.335 1.792 20 5 CDBDRO CC(C)([NH3+])CCc1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000843191329 693899133 /nfs/dbraw/zinc/89/91/33/693899133.db2.gz DLXJSPXBQYKFMB-UHFFFAOYSA-N 1 0 291.311 1.634 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000873297764 693899728 /nfs/dbraw/zinc/89/97/28/693899728.db2.gz ACHCWFBLXKDZJR-GFCCVEGCSA-N 1 0 291.351 1.941 20 5 CDBDRO C[C@H](CCO)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000844451301 694892577 /nfs/dbraw/zinc/89/25/77/694892577.db2.gz SHKFKROQZNNEAF-ZWNOBZJWSA-N 1 0 268.313 1.331 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000845733447 693989048 /nfs/dbraw/zinc/98/90/48/693989048.db2.gz BCVHKLMTFQLGLM-SNVBAGLBSA-N 1 0 296.327 1.207 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](CF)C2)c1 ZINC000880289357 694020314 /nfs/dbraw/zinc/02/03/14/694020314.db2.gz LKMRVEXQYOMSLL-WCQYABFASA-N 1 0 298.314 1.626 20 5 CDBDRO O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020140070 694144207 /nfs/dbraw/zinc/14/42/07/694144207.db2.gz WTXVLWBNMHNLEU-AAVRWANBSA-N 1 0 295.383 1.469 20 5 CDBDRO CO[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178860006 688245076 /nfs/dbraw/zinc/24/50/76/688245076.db2.gz RBJQKTOAGXSDFC-KBPBESRZSA-N 1 0 280.324 1.739 20 5 CDBDRO C[NH2+]CCOCCNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000884434652 688260377 /nfs/dbraw/zinc/26/03/77/688260377.db2.gz SSBVMDPNFXNTKH-UHFFFAOYSA-N 1 0 295.339 1.177 20 5 CDBDRO CSC[C@@H]1CCCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000793798706 688261814 /nfs/dbraw/zinc/26/18/14/688261814.db2.gz YIHKXWUCYBNJPR-SNVBAGLBSA-N 1 0 270.358 1.824 20 5 CDBDRO C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C(N)=O)C1 ZINC000187404418 688319270 /nfs/dbraw/zinc/31/92/70/688319270.db2.gz QUWBARQIJYXUEM-FZMZJTMJSA-N 1 0 291.351 1.723 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923279096 688351550 /nfs/dbraw/zinc/35/15/50/688351550.db2.gz DXCCBIVOJIYMRK-NILFDRSVSA-N 1 0 293.367 1.830 20 5 CDBDRO Cc1c(C[NH2+]CC[C@]2(O)CCCOC2)cccc1[N+](=O)[O-] ZINC000873134047 694200092 /nfs/dbraw/zinc/20/00/92/694200092.db2.gz WVDQPRUNVYMLTH-OAHLLOKOSA-N 1 0 294.351 1.924 20 5 CDBDRO C[C@@]([NH3+])(C(=O)N[C@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000867948486 694196289 /nfs/dbraw/zinc/19/62/89/694196289.db2.gz XKTZUMMHAYHDCP-GWCFXTLKSA-N 1 0 295.364 1.390 20 5 CDBDRO Nc1cc(COC(=O)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000787597079 688440318 /nfs/dbraw/zinc/44/03/18/688440318.db2.gz DIHPJGLGTBZNPQ-UHFFFAOYSA-N 1 0 273.248 1.929 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CC23CCC3)c1 ZINC000872251033 688452079 /nfs/dbraw/zinc/45/20/79/688452079.db2.gz MKIPTNGBKMVJRX-OCCSQVGLSA-N 1 0 292.335 1.867 20 5 CDBDRO COC[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591988 688456948 /nfs/dbraw/zinc/45/69/48/688456948.db2.gz NRUGVEDOIDUWBH-KGLIPLIRSA-N 1 0 280.324 1.739 20 5 CDBDRO C[C@H](C[C@H](C)O)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843078485 688462283 /nfs/dbraw/zinc/46/22/83/688462283.db2.gz BEIJRKWVEWPNSI-GBIKHYSHSA-N 1 0 268.313 1.377 20 5 CDBDRO C[C@@H]1CSC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000796398737 688557963 /nfs/dbraw/zinc/55/79/63/688557963.db2.gz QIFQXKVOZQCITD-ICCXJUOJSA-N 1 0 282.365 1.969 20 5 CDBDRO Cc1noc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c1[N+](=O)[O-] ZINC000931999566 688559601 /nfs/dbraw/zinc/55/96/01/688559601.db2.gz STZUAIDDZSNMNI-SECBINFHSA-N 1 0 283.284 1.086 20 5 CDBDRO O=C(NCC1C[NH2+]C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000706488215 688667039 /nfs/dbraw/zinc/66/70/39/688667039.db2.gz NWAWKLCXCXUAAX-UHFFFAOYSA-N 1 0 269.688 1.197 20 5 CDBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822491316 688716362 /nfs/dbraw/zinc/71/63/62/688716362.db2.gz PBFOBHBZTWNYQF-GFCCVEGCSA-N 1 0 285.388 1.813 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](CO)CC(F)F)c1 ZINC000843112523 688749606 /nfs/dbraw/zinc/74/96/06/688749606.db2.gz YVGXNIAXHPAAKF-MWLCHTKSSA-N 1 0 290.266 1.234 20 5 CDBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000886481888 688887716 /nfs/dbraw/zinc/88/77/16/688887716.db2.gz KRWCTJDDYJNKRW-GHMZBOCLSA-N 1 0 251.286 1.335 20 5 CDBDRO CC(C)(CCc1noc(C[C@@H]2CC[NH2+]C2)n1)[N+](=O)[O-] ZINC000823234508 694378283 /nfs/dbraw/zinc/37/82/83/694378283.db2.gz JDHXAGVOUDPSJI-VIFPVBQESA-N 1 0 268.317 1.210 20 5 CDBDRO O=[N+]([O-])c1c(F)nccc1N1CC[NH+](CC2CC2)CC1 ZINC000881827446 694433039 /nfs/dbraw/zinc/43/30/39/694433039.db2.gz ONCQKPQHPPVHRH-UHFFFAOYSA-N 1 0 280.303 1.661 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000930341754 692204879 /nfs/dbraw/zinc/20/48/79/692204879.db2.gz KHPFSQCIYNSREL-CYBMUJFWSA-N 1 0 284.743 1.908 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCSC2)c1 ZINC000819274243 692256756 /nfs/dbraw/zinc/25/67/56/692256756.db2.gz XJPXOWWUEKWEPH-GWCFXTLKSA-N 1 0 282.365 1.971 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1COCCO1 ZINC000084439880 692539642 /nfs/dbraw/zinc/53/96/42/692539642.db2.gz WHFOULNBOKSZBH-NSHDSACASA-N 1 0 286.715 1.753 20 5 CDBDRO Cc1c(C[NH2+]CCNC(=O)C2CC2)cccc1[N+](=O)[O-] ZINC000133465620 692546640 /nfs/dbraw/zinc/54/66/40/692546640.db2.gz OLGYMZLRFYWOBJ-UHFFFAOYSA-N 1 0 277.324 1.519 20 5 CDBDRO [NH3+][C@@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)CC[C@H]1F ZINC000853057968 692777671 /nfs/dbraw/zinc/77/76/71/692777671.db2.gz GBOAVORQTUJXCW-GMSGAONNSA-N 1 0 275.230 1.749 20 5 CDBDRO Cc1cc(NC(=O)N(C)C[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000859672875 692780275 /nfs/dbraw/zinc/78/02/75/692780275.db2.gz VBNONSWLSHHXKK-VIFPVBQESA-N 1 0 266.301 1.714 20 5 CDBDRO CC1(C)C[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000788434144 692866123 /nfs/dbraw/zinc/86/61/23/692866123.db2.gz GUCXUXQNRANAOB-GFCCVEGCSA-N 1 0 250.298 1.970 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2nccs2)c1 ZINC000818988704 692883509 /nfs/dbraw/zinc/88/35/09/692883509.db2.gz RJTFPVXCHJJXPW-GFCCVEGCSA-N 1 0 293.348 1.917 20 5 CDBDRO [NH3+][C@H]1C[C@H](c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)C1 ZINC000854142370 692955750 /nfs/dbraw/zinc/95/57/50/692955750.db2.gz LLBZICCAUZNMOG-ZKCHVHJHSA-N 1 0 275.268 1.168 20 5 CDBDRO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858588311 693077326 /nfs/dbraw/zinc/07/73/26/693077326.db2.gz YEWHFJZVDNRTKM-RKDXNWHRSA-N 1 0 296.327 1.236 20 5 CDBDRO Cn1cc(CN(CCC[NH3+])CC(F)(F)F)c([N+](=O)[O-])n1 ZINC000883444440 693088643 /nfs/dbraw/zinc/08/86/43/693088643.db2.gz TXEHNBLBXHOKAP-UHFFFAOYSA-N 1 0 295.265 1.041 20 5 CDBDRO C[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850516433 693183402 /nfs/dbraw/zinc/18/34/02/693183402.db2.gz VOPWJZNLIVPCIX-NXEZZACHSA-N 1 0 279.340 1.989 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000882480333 693307632 /nfs/dbraw/zinc/30/76/32/693307632.db2.gz QVPMXMIGZULCNB-LLVKDONJSA-N 1 0 277.324 1.727 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C/C=C\CO ZINC000873135604 693309796 /nfs/dbraw/zinc/30/97/96/693309796.db2.gz KRBQYNVLMBMHPP-ARJAWSKDSA-N 1 0 250.298 1.850 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000111303892 694669090 /nfs/dbraw/zinc/66/90/90/694669090.db2.gz QPHMCVKKRYPVGA-ZETCQYMHSA-N 1 0 271.704 1.715 20 5 CDBDRO CCN(C)C(=O)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873108577 693337849 /nfs/dbraw/zinc/33/78/49/693337849.db2.gz OJFNOOZCLJUCFV-UHFFFAOYSA-N 1 0 279.340 1.780 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000877174608 693341462 /nfs/dbraw/zinc/34/14/62/693341462.db2.gz GZALCDBUTSWEIN-IUCAKERBSA-N 1 0 297.286 1.061 20 5 CDBDRO C[C@@H]([NH3+])CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766555 694662193 /nfs/dbraw/zinc/66/21/93/694662193.db2.gz AIUJRNQJPORILS-RKDXNWHRSA-N 1 0 251.286 1.509 20 5 CDBDRO CCC[N@H+](C)C[C@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173450598 693396896 /nfs/dbraw/zinc/39/68/96/693396896.db2.gz WIXUOJKVMOGWFJ-GFCCVEGCSA-N 1 0 281.360 1.413 20 5 CDBDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000857067938 693400225 /nfs/dbraw/zinc/40/02/25/693400225.db2.gz JBPFMDXCPQKNHU-LLVKDONJSA-N 1 0 297.742 1.959 20 5 CDBDRO Cn1cccc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809734528 693411915 /nfs/dbraw/zinc/41/19/15/693411915.db2.gz GKWPLVNZHAWJMM-UHFFFAOYSA-N 1 0 274.324 1.899 20 5 CDBDRO C[C@](C[NH3+])(NCc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000843355130 693440882 /nfs/dbraw/zinc/44/08/82/693440882.db2.gz BYFBPYNACOCNPJ-CYBMUJFWSA-N 1 0 267.304 1.951 20 5 CDBDRO C[C@@H](CNC(=O)[C@H](C)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000887399469 693442382 /nfs/dbraw/zinc/44/23/82/693442382.db2.gz VVIMYEICEASUNC-QWRGUYRKSA-N 1 0 279.340 1.765 20 5 CDBDRO Cc1c(C[NH2+][C@@]2(CCO)CCOC2)cccc1[N+](=O)[O-] ZINC000873115234 694705590 /nfs/dbraw/zinc/70/55/90/694705590.db2.gz KCNWEEHSGISITJ-AWEZNQCLSA-N 1 0 280.324 1.534 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000237191296 694744288 /nfs/dbraw/zinc/74/42/88/694744288.db2.gz MMGUSXYENYJNBE-JTQLQIEISA-N 1 0 293.323 1.333 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000111303526 694773738 /nfs/dbraw/zinc/77/37/38/694773738.db2.gz BTYVTWOEGUUKJS-QMMMGPOBSA-N 1 0 255.249 1.201 20 5 CDBDRO O=[N+]([O-])c1ccc(Cc2noc(C3CC[NH2+]CC3)n2)nc1 ZINC000843191527 694797368 /nfs/dbraw/zinc/79/73/68/694797368.db2.gz IGRRAAQJATUGGD-UHFFFAOYSA-N 1 0 289.295 1.431 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000852842308 694798582 /nfs/dbraw/zinc/79/85/82/694798582.db2.gz ZHYAGIOEKATDBY-UHFFFAOYSA-N 1 0 296.283 1.312 20 5 CDBDRO C[C@@H]1COCC[C@@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819306931 694805951 /nfs/dbraw/zinc/80/59/51/694805951.db2.gz ZULDKGZSONNDAS-KYOSRNDESA-N 1 0 294.351 1.890 20 5 CDBDRO CC[N@@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](C)C1 ZINC000831838482 694806469 /nfs/dbraw/zinc/80/64/69/694806469.db2.gz LDLCQRWEPAKESA-NSHDSACASA-N 1 0 271.361 1.375 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCC[C@@H]2O)cc1 ZINC000323480320 694808970 /nfs/dbraw/zinc/80/89/70/694808970.db2.gz ZLTPVWCCATVKED-RWMBFGLXSA-N 1 0 266.297 1.131 20 5 CDBDRO C[C@H](O)[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852559234 694810921 /nfs/dbraw/zinc/81/09/21/694810921.db2.gz HJLYJFKJMJDNEM-ZLKJLUDKSA-N 1 0 280.324 1.473 20 5 CDBDRO O=C(NC[C@H]1CC[NH2+]C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000165978499 694831037 /nfs/dbraw/zinc/83/10/37/694831037.db2.gz AXLQRXCAEXPAAL-QMMMGPOBSA-N 1 0 267.260 1.073 20 5 CDBDRO CCO[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000932969921 694637236 /nfs/dbraw/zinc/63/72/36/694637236.db2.gz RKJZLGIUJVEUFM-KBPBESRZSA-N 1 0 280.324 1.739 20 5 CDBDRO C[C@H]1COCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590592 694638846 /nfs/dbraw/zinc/63/88/46/694638846.db2.gz IGQJEFKBCKQPAN-FZMZJTMJSA-N 1 0 280.324 1.739 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000094775232 694658924 /nfs/dbraw/zinc/65/89/24/694658924.db2.gz DEUSPTSHSQXATP-GHMZBOCLSA-N 1 0 265.288 1.385 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH2+][C@H](C)C1 ZINC000088059890 694670220 /nfs/dbraw/zinc/67/02/20/694670220.db2.gz HKANGDYXDBYRLR-SNVBAGLBSA-N 1 0 265.313 1.397 20 5 CDBDRO O=[N+]([O-])c1cnc2ccccc2c1NC[C@H]1C[NH2+]CCO1 ZINC000130607349 694675307 /nfs/dbraw/zinc/67/53/07/694675307.db2.gz BJBTUOLUFGPYQD-SNVBAGLBSA-N 1 0 288.307 1.543 20 5 CDBDRO O=[N+]([O-])c1cnn(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000172956837 694681217 /nfs/dbraw/zinc/68/12/17/694681217.db2.gz QVNFIGQFMDWTFS-ZDUSSCGKSA-N 1 0 293.371 1.557 20 5 CDBDRO CC1(C)OCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CO1 ZINC000230695206 694785212 /nfs/dbraw/zinc/78/52/12/694785212.db2.gz MCHXYSLPLFFURK-UHFFFAOYSA-N 1 0 266.297 1.836 20 5 CDBDRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC[N+](=O)[O-] ZINC000791053204 694836730 /nfs/dbraw/zinc/83/67/30/694836730.db2.gz JFBKYALOWKSWJG-LLVKDONJSA-N 1 0 275.312 1.537 20 5 CDBDRO C[N@H+](CCCF)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000887141286 694841089 /nfs/dbraw/zinc/84/10/89/694841089.db2.gz MYADTFQIIWZWAG-NSHDSACASA-N 1 0 286.303 1.626 20 5 CDBDRO O=[N+]([O-])c1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000107571198 694845663 /nfs/dbraw/zinc/84/56/63/694845663.db2.gz BTSHTGSIINQDGE-RKDXNWHRSA-N 1 0 278.268 1.159 20 5 CDBDRO CCC(CC)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001031662743 694846308 /nfs/dbraw/zinc/84/63/08/694846308.db2.gz KQRUWWCFIWWTDE-CHWSQXEVSA-N 1 0 283.372 1.136 20 5 CDBDRO O=[N+]([O-])c1cccc(-c2ncn(C[NH+]3CCCC3)n2)c1 ZINC000048619059 694857301 /nfs/dbraw/zinc/85/73/01/694857301.db2.gz ZIRMXDDTXDYFNC-UHFFFAOYSA-N 1 0 273.296 1.907 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000886833336 694894138 /nfs/dbraw/zinc/89/41/38/694894138.db2.gz WYSVKFWWWMTMNV-GFCCVEGCSA-N 1 0 262.313 1.316 20 5 CDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022064058 694896708 /nfs/dbraw/zinc/89/67/08/694896708.db2.gz SRLVMRAZFFFYEA-WRWGMCAJSA-N 1 0 295.364 1.150 20 5 CDBDRO Cc1c(C(=O)NCC(C)(C)[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000832796253 695055913 /nfs/dbraw/zinc/05/59/13/695055913.db2.gz HVDBPJBBRATSCS-UHFFFAOYSA-N 1 0 296.283 1.279 20 5 CDBDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886162690 695093609 /nfs/dbraw/zinc/09/36/09/695093609.db2.gz VYGJBHWBUWBWHZ-NQBHXWOUSA-N 1 0 279.340 1.971 20 5 CDBDRO COc1cc(NCC2C[NH+](C)C2)cc([N+](=O)[O-])c1C ZINC001170256095 1162318588 /nfs/dbraw/zinc/31/85/88/1162318588.db2.gz CUNQQLJHXCCFKS-UHFFFAOYSA-N 1 0 265.313 1.885 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1NCC1C[NH+](C)C1 ZINC001170254366 1162326052 /nfs/dbraw/zinc/32/60/52/1162326052.db2.gz ZWMUUBMHVKFHEK-UHFFFAOYSA-N 1 0 251.290 1.005 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]CC[C@@H](C)O)c([N+](=O)[O-])c1 ZINC001170317198 1162335643 /nfs/dbraw/zinc/33/56/43/1162335643.db2.gz BQTQCMHEGVALIA-WDEREUQCSA-N 1 0 282.340 1.895 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC001170319674 1162336698 /nfs/dbraw/zinc/33/66/98/1162336698.db2.gz YNGUIBZGDNIFEV-HZMBPMFUSA-N 1 0 294.351 1.895 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@@H]([NH3+])[C@@H]2C)n1 ZINC001157731972 1162360935 /nfs/dbraw/zinc/36/09/35/1162360935.db2.gz HQHHCKHJGAFANG-POYBYMJQSA-N 1 0 285.735 1.663 20 5 CDBDRO CCOc1nc(N2C[C@@H](C)[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001158178500 1162760111 /nfs/dbraw/zinc/76/01/11/1162760111.db2.gz RIMDJIWDBMEVOT-AOOOYVTPSA-N 1 0 280.328 1.575 20 5 CDBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001158178217 1162760153 /nfs/dbraw/zinc/76/01/53/1162760153.db2.gz ZOSQJWKRUUGZBR-YUMQZZPRSA-N 1 0 281.272 1.085 20 5 CDBDRO C[C@@H]([NH3+])c1ccn(-c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC001158349898 1162903042 /nfs/dbraw/zinc/90/30/42/1162903042.db2.gz VQEPTVMIVDGFJM-ZCFIWIBFSA-N 1 0 278.228 1.103 20 5 CDBDRO CCOc1cnc(N[C@@H](C)[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC001170564265 1162928058 /nfs/dbraw/zinc/92/80/58/1162928058.db2.gz OTQWSQWJIJHLSP-JOYOIKCWSA-N 1 0 296.327 1.177 20 5 CDBDRO C[C@H](Nc1c(Cl)nccc1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001170565133 1162930192 /nfs/dbraw/zinc/93/01/92/1162930192.db2.gz UGOBGXZHTDPKIL-CBAPKCEASA-N 1 0 286.719 1.432 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N[C@H](C)[C@@H]1C[NH2+]CCO1 ZINC001170567126 1162941543 /nfs/dbraw/zinc/94/15/43/1162941543.db2.gz JFOGXYWSHFXPQM-PWSUYJOCSA-N 1 0 265.313 1.692 20 5 CDBDRO C[C@@H](Nc1ccc(N(C)C)cc1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001170576254 1162992884 /nfs/dbraw/zinc/99/28/84/1162992884.db2.gz ZOHGRWGAGQLIRD-QMTHXVAHSA-N 1 0 294.355 1.450 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@@]23C[NH2+][C@@H](CO2)C3)c(Cl)c1 ZINC001155537331 1167219534 /nfs/dbraw/zinc/21/95/34/1167219534.db2.gz GOWFZAGKTQOSEJ-RDDDGLTNSA-N 1 0 284.703 1.186 20 5 CDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC001574121259 1170887669 /nfs/dbraw/zinc/88/76/69/1170887669.db2.gz KULXCGZXGWUTTE-SNVBAGLBSA-N 1 0 295.314 1.853 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000070175051 1171645711 /nfs/dbraw/zinc/64/57/11/1171645711.db2.gz PEQGDQOHQSJHDT-VHSXEESVSA-N 1 0 250.302 1.553 20 5 CDBDRO C[NH2+]C[C@H](O)CN(C)c1c2ccccc2ncc1[N+](=O)[O-] ZINC001578653569 1171972330 /nfs/dbraw/zinc/97/23/30/1171972330.db2.gz ZXIFHLVEEJBEGA-JTQLQIEISA-N 1 0 290.323 1.160 20 5 CDBDRO CNc1ccc(C(=O)N2C[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC001578755249 1171996689 /nfs/dbraw/zinc/99/66/89/1171996689.db2.gz UKUUYPIUSHMVDC-WCBMZHEXSA-N 1 0 278.312 1.198 20 5 CDBDRO Nc1c(Cl)cc(C(=O)NC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC001580432373 1172432479 /nfs/dbraw/zinc/43/24/79/1172432479.db2.gz NIMWWAKZTMVPRW-VIFPVBQESA-N 1 0 298.730 1.298 20 5 CDBDRO O=[N+]([O-])c1ccsc1N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001580875236 1172558707 /nfs/dbraw/zinc/55/87/07/1172558707.db2.gz GAKPGOJNMQVMGG-BDAKNGLRSA-N 1 0 253.327 1.702 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(OC[C@H]2CCC[NH2+]C2)c1 ZINC000155936463 1178167593 /nfs/dbraw/zinc/16/75/93/1178167593.db2.gz UESJEJXZTNIKIM-JTQLQIEISA-N 1 0 266.297 1.982 20 5 CDBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H](C)[NH2+]1 ZINC000235326895 1178236076 /nfs/dbraw/zinc/23/60/76/1178236076.db2.gz ZARCHGTVCVVAKJ-HTQZYQBOSA-N 1 0 270.720 1.830 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000401211991 1186406474 /nfs/dbraw/zinc/40/64/74/1186406474.db2.gz AMGBLAVWOPPNHM-OUAUKWLOSA-N 1 0 277.324 1.806 20 5 CDBDRO [NH3+][C@@H]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C12CCC2 ZINC000404634290 1186529450 /nfs/dbraw/zinc/52/94/50/1186529450.db2.gz IMXNFKQYUBFPSL-BDAKNGLRSA-N 1 0 281.337 1.656 20 5 CDBDRO CC(C)[C@](C)(O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000313025764 1186706695 /nfs/dbraw/zinc/70/66/95/1186706695.db2.gz POCPHYXJRNAZNS-ZIAGYGMSSA-N 1 0 282.340 1.625 20 5 CDBDRO C[C@H](C[NH3+])N(C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000430940339 1186769962 /nfs/dbraw/zinc/76/99/62/1186769962.db2.gz OVVDFGLWDAYJIJ-LLVKDONJSA-N 1 0 267.329 1.643 20 5 CDBDRO COc1cc(C)nc(N(C)C(C)(C)C[NH3+])c1[N+](=O)[O-] ZINC001159054280 1164037269 /nfs/dbraw/zinc/03/72/69/1164037269.db2.gz KQUKOLKNRRZAPH-UHFFFAOYSA-N 1 0 268.317 1.480 20 5 CDBDRO Cc1ccnc(N2CC[C@H]3[NH2+]CC[C@H]3C2)c1[N+](=O)[O-] ZINC000261599950 723081452 /nfs/dbraw/zinc/08/14/52/723081452.db2.gz PQNZNYMDVUEOFF-WDEREUQCSA-N 1 0 262.313 1.486 20 5 CDBDRO CC(C)(O)C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000778216936 723096846 /nfs/dbraw/zinc/09/68/46/723096846.db2.gz SOFVOVUDGVIOMM-AWEZNQCLSA-N 1 0 294.351 1.864 20 5 CDBDRO C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(F)cc1 ZINC000839551209 723107668 /nfs/dbraw/zinc/10/76/68/723107668.db2.gz KHCBLEYJWWSLGT-JHJVBQTASA-N 1 0 295.314 1.210 20 5 CDBDRO Cc1ccc(C[NH2+]C2(C(N)=O)CCCC2)cc1[N+](=O)[O-] ZINC000878256774 723126706 /nfs/dbraw/zinc/12/67/06/723126706.db2.gz XXDQXYSQRGMBMV-UHFFFAOYSA-N 1 0 277.324 1.791 20 5 CDBDRO Cc1cc(F)cc(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000877242896 723221067 /nfs/dbraw/zinc/22/10/67/723221067.db2.gz IPLRGRFYXDZKTO-WAAGHKOSSA-N 1 0 281.287 1.509 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702056139 723273558 /nfs/dbraw/zinc/27/35/58/723273558.db2.gz QCOKAHLGPIZKPI-LURJTMIESA-N 1 0 257.677 1.325 20 5 CDBDRO C[C@H]1[NH2+]CCN(Cc2cccnc2[N+](=O)[O-])[C@H]1C ZINC000886838311 723303025 /nfs/dbraw/zinc/30/30/25/723303025.db2.gz VHJFDDZYLFQANG-ZJUUUORDSA-N 1 0 250.302 1.172 20 5 CDBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839547336 723366335 /nfs/dbraw/zinc/36/63/35/723366335.db2.gz RDMSGMRZYVNBCC-RKQHYHRCSA-N 1 0 295.383 1.515 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000843503968 723382946 /nfs/dbraw/zinc/38/29/46/723382946.db2.gz NAXXDGVEGJJJAI-JGVFFNPUSA-N 1 0 266.301 1.033 20 5 CDBDRO CO[C@]1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000819235555 723517483 /nfs/dbraw/zinc/51/74/83/723517483.db2.gz RBCZWWMDEOPJHR-KGLIPLIRSA-N 1 0 296.323 1.023 20 5 CDBDRO CC(C)(C(=O)NC[C@H]1C[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000870964772 723606465 /nfs/dbraw/zinc/60/64/65/723606465.db2.gz CQBHRCFMUUMLGU-KLPPZKSPSA-N 1 0 291.351 1.726 20 5 CDBDRO CN(CC[NH3+])CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842479800 723631933 /nfs/dbraw/zinc/63/19/33/723631933.db2.gz YSXMRRHOTZFKIY-UHFFFAOYSA-N 1 0 286.719 1.077 20 5 CDBDRO COc1ccc([C@H]2CC[N@H+](CC[N+](=O)[O-])C2)cc1 ZINC000929431189 723682067 /nfs/dbraw/zinc/68/20/67/723682067.db2.gz UTFTWZZZEXHHQN-LBPRGKRZSA-N 1 0 250.298 1.761 20 5 CDBDRO C[N@@H+]1CCO[C@@H]2CN(c3nccc(Cl)c3[N+](=O)[O-])C[C@@H]21 ZINC001164667993 719372474 /nfs/dbraw/zinc/37/24/74/719372474.db2.gz MKTYNTONIGOSQD-VHSXEESVSA-N 1 0 298.730 1.162 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000357630732 719399244 /nfs/dbraw/zinc/39/92/44/719399244.db2.gz QJKCWZZGUDTJOV-NWDGAFQWSA-N 1 0 292.339 1.126 20 5 CDBDRO CO[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178859995 723277459 /nfs/dbraw/zinc/27/74/59/723277459.db2.gz RBJQKTOAGXSDFC-KGLIPLIRSA-N 1 0 280.324 1.739 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1C ZINC000884270214 723323950 /nfs/dbraw/zinc/32/39/50/723323950.db2.gz IKYRTTYESFORMI-JQWIXIFHSA-N 1 0 291.351 1.939 20 5 CDBDRO CC1(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)OCCO1 ZINC000819230895 723534870 /nfs/dbraw/zinc/53/48/70/723534870.db2.gz ZFLCIDGHWQZXOX-ZDUSSCGKSA-N 1 0 296.323 1.371 20 5 CDBDRO Cc1c(C(=O)NC(C)(C)C[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818544402 723544882 /nfs/dbraw/zinc/54/48/82/723544882.db2.gz TUKZIBAMJJCWPV-UHFFFAOYSA-N 1 0 296.283 1.279 20 5 CDBDRO O=C1NCCC12CC[NH+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000877783383 723552723 /nfs/dbraw/zinc/55/27/23/723552723.db2.gz QXCYBUNNDXAGOP-UHFFFAOYSA-N 1 0 289.335 1.697 20 5 CDBDRO CC[NH+](CC)C[C@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000173432012 723552741 /nfs/dbraw/zinc/55/27/41/723552741.db2.gz DMHIPHUHUBLDFZ-GFCCVEGCSA-N 1 0 281.360 1.413 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000925596137 723683743 /nfs/dbraw/zinc/68/37/43/723683743.db2.gz JFWGHAOJZIJICG-ZDUSSCGKSA-N 1 0 279.340 1.704 20 5 CDBDRO CCNC(=O)[C@@H](C)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873008661 1165502248 /nfs/dbraw/zinc/50/22/48/1165502248.db2.gz SYXBXWBXXLLPMY-LLVKDONJSA-N 1 0 279.340 1.826 20 5 CDBDRO C[C@H]1CC[NH2+][C@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000126884650 1166141461 /nfs/dbraw/zinc/14/14/61/1166141461.db2.gz PDTWNPQXBZOFKU-FZMZJTMJSA-N 1 0 291.351 1.642 20 5 CDBDRO CNC(=O)C[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173179317 912282302 /nfs/dbraw/zinc/28/23/02/912282302.db2.gz OUZSYGJLSGRJJA-MRVPVSSYSA-N 1 0 299.302 1.009 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)CCO ZINC001173219640 912300727 /nfs/dbraw/zinc/30/07/27/912300727.db2.gz OQGVVAWVCGGVFD-SNVBAGLBSA-N 1 0 266.297 1.067 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)CCO ZINC001173219639 912302335 /nfs/dbraw/zinc/30/23/35/912302335.db2.gz OQGVVAWVCGGVFD-JTQLQIEISA-N 1 0 266.297 1.067 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](C)(O)C1 ZINC001173221179 912304008 /nfs/dbraw/zinc/30/40/08/912304008.db2.gz GDTGCFAUWCUNCL-BXUZGUMPSA-N 1 0 264.325 1.983 20 5 CDBDRO CC(C)NC(=O)C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214197 912335414 /nfs/dbraw/zinc/33/54/14/912335414.db2.gz MYVHDFSZYNPVME-NSHDSACASA-N 1 0 279.340 1.640 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CC[C@H]2C1 ZINC001173238324 912364127 /nfs/dbraw/zinc/36/41/27/912364127.db2.gz PJOXEHOHIPRHBU-DOMZBBRYSA-N 1 0 275.352 1.916 20 5 CDBDRO COc1ccc(C[NH2+]C[C@@](C)(O)C(F)F)cc1[N+](=O)[O-] ZINC000698678638 912694607 /nfs/dbraw/zinc/69/46/07/912694607.db2.gz UPTJBIHTQFLADL-GFCCVEGCSA-N 1 0 290.266 1.709 20 5 CDBDRO Cc1c(C(=O)N2CC[C@](C)([NH3+])C2)cccc1[N+](=O)[O-] ZINC000405834622 897691945 /nfs/dbraw/zinc/69/19/45/897691945.db2.gz PCYVYFGUKWOBNK-ZDUSSCGKSA-N 1 0 263.297 1.467 20 5 CDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1cccc(OC)c1[N+](=O)[O-] ZINC001167899410 901758967 /nfs/dbraw/zinc/75/89/67/901758967.db2.gz LLMXFNJADOUPKR-SNVBAGLBSA-N 1 0 297.311 1.296 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N[C@@]23CCC[C@@H]2[NH2+]CC3)n1 ZINC000711599257 903986387 /nfs/dbraw/zinc/98/63/87/903986387.db2.gz BBLGSRUXXQUCNB-GXFFZTMASA-N 1 0 278.312 1.695 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[NH2+]CC[C@H]2F)c1 ZINC001168235119 907961045 /nfs/dbraw/zinc/96/10/45/907961045.db2.gz XTOYLTWGLAKYLX-KOLCDFICSA-N 1 0 297.286 1.493 20 5 CDBDRO CN1CCc2c(-n3cc(C[NH3+])cn3)ccc([N+](=O)[O-])c2C1 ZINC001168258955 908007531 /nfs/dbraw/zinc/00/75/31/908007531.db2.gz GIGFFPSPFZWMGV-UHFFFAOYSA-N 1 0 287.323 1.227 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000715568948 910020117 /nfs/dbraw/zinc/02/01/17/910020117.db2.gz DFSOTUCFQLNXMV-NXEZZACHSA-N 1 0 279.344 1.857 20 5 CDBDRO CN1C[C@@H](CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)CC1=O ZINC001168726674 921609929 /nfs/dbraw/zinc/60/99/29/921609929.db2.gz MVSFWSQTLAVRMM-SECBINFHSA-N 1 0 290.323 1.088 20 5 CDBDRO CC[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(N)=O ZINC001172895721 912052012 /nfs/dbraw/zinc/05/20/12/912052012.db2.gz HZRLTUKLFMXKON-OCCSQVGLSA-N 1 0 291.351 1.696 20 5 CDBDRO CN(CCC[NH+](C)C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000828515549 921776114 /nfs/dbraw/zinc/77/61/14/921776114.db2.gz GMROZKGQKHBPJF-UHFFFAOYSA-N 1 0 259.350 1.232 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC001325225935 915675498 /nfs/dbraw/zinc/67/54/98/915675498.db2.gz IYJGVUNGTXHLRM-JTQLQIEISA-N 1 0 280.303 1.803 20 5 CDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000831873699 936544075 /nfs/dbraw/zinc/54/40/75/936544075.db2.gz ZXVWATSSJSERBS-QWHCGFSZSA-N 1 0 297.399 1.907 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000823233932 919733398 /nfs/dbraw/zinc/73/33/98/919733398.db2.gz DWPHDZBUMOLOJM-RKDXNWHRSA-N 1 0 268.317 1.523 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700625949 922255725 /nfs/dbraw/zinc/25/57/25/922255725.db2.gz MZPSHBUQKJOWIG-UHFFFAOYSA-N 1 0 285.731 1.978 20 5 CDBDRO CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C1(C[NH3+])CCC1 ZINC000923363419 923778504 /nfs/dbraw/zinc/77/85/04/923778504.db2.gz XFTWMQGBGZYODC-ZDUSSCGKSA-N 1 0 279.340 1.441 20 5 CDBDRO C[NH2+]C1CN(c2ccc3c(cccc3[N+](=O)[O-])n2)C1 ZINC001163701771 924075159 /nfs/dbraw/zinc/07/51/59/924075159.db2.gz PVOBJNDXQZGMAP-UHFFFAOYSA-N 1 0 258.281 1.551 20 5 CDBDRO COc1nc(C)c(N[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC001163777379 924193670 /nfs/dbraw/zinc/19/36/70/924193670.db2.gz VXBGTQZFBZWIBT-MRVPVSSYSA-N 1 0 268.317 1.669 20 5 CDBDRO Cc1nc(NC[C@@]2(F)CCCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001155117842 926546580 /nfs/dbraw/zinc/54/65/80/926546580.db2.gz IBOKRQSSJCGWCT-GFCCVEGCSA-N 1 0 283.307 1.587 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001155915903 927196747 /nfs/dbraw/zinc/19/67/47/927196747.db2.gz JIUYTADFBXJREP-VIFPVBQESA-N 1 0 275.312 1.900 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@H](C)C[NH+](C)C ZINC001155913720 927197757 /nfs/dbraw/zinc/19/77/57/927197757.db2.gz BTWQHPFJTOZXIH-MRVPVSSYSA-N 1 0 282.300 1.138 20 5 CDBDRO COc1cccc(-n2cc3c(n2)CC[C@H]([NH3+])C3)c1[N+](=O)[O-] ZINC001168818950 927490584 /nfs/dbraw/zinc/49/05/84/927490584.db2.gz BIRUQZPHABDUOB-JTQLQIEISA-N 1 0 288.307 1.605 20 5 CDBDRO [NH3+]CCc1cnn(-c2nc(Cl)ccc2[N+](=O)[O-])c1 ZINC001168949624 927556521 /nfs/dbraw/zinc/55/65/21/927556521.db2.gz NLSGLFZHHDDTEP-UHFFFAOYSA-N 1 0 267.676 1.330 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2cn3ccccc3n2)C1 ZINC001168976707 927563611 /nfs/dbraw/zinc/56/36/11/927563611.db2.gz FNCBVSZNNRMEGI-STQMWFEESA-N 1 0 288.351 1.912 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)nn2)C1 ZINC001168977762 927564111 /nfs/dbraw/zinc/56/41/11/927564111.db2.gz LRPWDCLFMFUPFO-BDAKNGLRSA-N 1 0 270.720 1.665 20 5 CDBDRO O=C1CCCCCN1CCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168979892 927568851 /nfs/dbraw/zinc/56/88/51/927568851.db2.gz BWOSSSBWHSKBJV-ZIAGYGMSSA-N 1 0 297.399 1.814 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccco2)C1 ZINC001168956245 927578390 /nfs/dbraw/zinc/57/83/90/927578390.db2.gz ALRGMKGWDWKINL-OUAUKWLOSA-N 1 0 254.286 1.348 20 5 CDBDRO Cc1cc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)n(C)n1 ZINC001168969059 927592467 /nfs/dbraw/zinc/59/24/67/927592467.db2.gz BUKBHWCZTOAQTB-GHMZBOCLSA-N 1 0 252.318 1.264 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCOc2ccccn2)C1 ZINC001168972626 927597001 /nfs/dbraw/zinc/59/70/01/927597001.db2.gz AKCGQTFZINPERB-NEPJUHHUSA-N 1 0 265.313 1.495 20 5 CDBDRO NC(=O)[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168975869 927599279 /nfs/dbraw/zinc/59/92/79/927599279.db2.gz XRQLTUABVVNCGH-WXHSDQCUSA-N 1 0 277.324 1.248 20 5 CDBDRO [NH3+][C@H]1CCc2nn([C@@H]3CC[C@H](C[N+](=O)[O-])C3)cc2C1 ZINC001168993226 927601284 /nfs/dbraw/zinc/60/12/84/927601284.db2.gz MAWKHRDUNKGEIF-ZMLRMANQSA-N 1 0 264.329 1.317 20 5 CDBDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169013424 927620107 /nfs/dbraw/zinc/62/01/07/927620107.db2.gz UYBICCBBGNKFFC-NDBYEHHHSA-N 1 0 256.346 1.525 20 5 CDBDRO CCCO[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169027013 927633165 /nfs/dbraw/zinc/63/31/65/927633165.db2.gz OSLAGICKGBXCCV-FRRDWIJNSA-N 1 0 256.346 1.933 20 5 CDBDRO CCOC(=O)[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169033653 927642505 /nfs/dbraw/zinc/64/25/05/927642505.db2.gz CZFWEROHJHMMQO-QJPTWQEYSA-N 1 0 270.329 1.317 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(CCF)CC2)C1 ZINC001169035972 927643637 /nfs/dbraw/zinc/64/36/37/927643637.db2.gz MKBNAMZRUVQFTQ-NEPJUHHUSA-N 1 0 259.325 1.019 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H](n2cncc2C2CC[NH2+]CC2)C1 ZINC001169036392 927643802 /nfs/dbraw/zinc/64/38/02/927643802.db2.gz FTJXFVDXQVMEBI-AAEUAGOBSA-N 1 0 278.356 1.968 20 5 CDBDRO O=C1NCC2(CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)O1 ZINC001169039210 927651469 /nfs/dbraw/zinc/65/14/69/927651469.db2.gz NYHZDHPZRSYPMZ-QWRGUYRKSA-N 1 0 283.328 1.006 20 5 CDBDRO CN1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2cccnc21 ZINC001169026225 927666850 /nfs/dbraw/zinc/66/68/50/927666850.db2.gz WADQZAOOLASDJI-TZMCWYRMSA-N 1 0 290.367 1.779 20 5 CDBDRO Cn1cnc2c1C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169047607 927667216 /nfs/dbraw/zinc/66/72/16/927667216.db2.gz RPBWWCWUXTYCLJ-MNOVXSKESA-N 1 0 264.329 1.224 20 5 CDBDRO C[C@]1(O)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592619 927785296 /nfs/dbraw/zinc/78/52/96/927785296.db2.gz QZUUMXFZINNBJB-OLZOCXBDSA-N 1 0 266.297 1.085 20 5 CDBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852559232 927816192 /nfs/dbraw/zinc/81/61/92/927816192.db2.gz HJLYJFKJMJDNEM-HONMWMINSA-N 1 0 280.324 1.473 20 5 CDBDRO C[NH+](C)CC1CN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000853651984 928067698 /nfs/dbraw/zinc/06/76/98/928067698.db2.gz XFAMBXKKGHTIMI-UHFFFAOYSA-N 1 0 271.267 1.871 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2ccc(C[NH3+])c2)c1 ZINC001169725477 928344072 /nfs/dbraw/zinc/34/40/72/928344072.db2.gz IBSUUBFODHWLHZ-UHFFFAOYSA-N 1 0 275.264 1.631 20 5 CDBDRO [NH3+]CCc1ccn(-c2ccc3cccc([N+](=O)[O-])c3n2)n1 ZINC001156898619 929049710 /nfs/dbraw/zinc/04/97/10/929049710.db2.gz UHUUMNRLXLBOHQ-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO CCOC(=O)c1cc(N(C)C(C)(C)C[NH3+])ccc1[N+](=O)[O-] ZINC001170060639 929254224 /nfs/dbraw/zinc/25/42/24/929254224.db2.gz USBMCBNSEYCFKV-UHFFFAOYSA-N 1 0 295.339 1.945 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000882961835 930111517 /nfs/dbraw/zinc/11/15/17/930111517.db2.gz YZJOCMUJEUZFBT-NSHDSACASA-N 1 0 292.339 1.461 20 5 CDBDRO CC[NH+](CC)CCCOC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000800140644 930413659 /nfs/dbraw/zinc/41/36/59/930413659.db2.gz HETAVTXPAFHMRB-UHFFFAOYSA-N 1 0 284.316 1.066 20 5 CDBDRO CC1(C)OC[C@@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000819155059 930763304 /nfs/dbraw/zinc/76/33/04/930763304.db2.gz MOHWTKATDANIDD-CHWSQXEVSA-N 1 0 296.323 1.369 20 5 CDBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886249567 930840028 /nfs/dbraw/zinc/84/00/28/930840028.db2.gz NLSIQDYHCZRGLG-PWSUYJOCSA-N 1 0 265.313 1.583 20 5 CDBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886267781 930843206 /nfs/dbraw/zinc/84/32/06/930843206.db2.gz UXRBHSDQMVAFEM-ZYHUDNBSSA-N 1 0 267.329 1.877 20 5 CDBDRO [NH2+]=C(NCCc1ccc([N+](=O)[O-])cc1)NCC(F)F ZINC000887351163 931067046 /nfs/dbraw/zinc/06/70/46/931067046.db2.gz ICFQKICCKPHDSM-UHFFFAOYSA-N 1 0 272.255 1.516 20 5 CDBDRO [NH3+]Cc1cn(-c2ncc(Cl)cc2[N+](=O)[O-])cn1 ZINC001154905758 937602225 /nfs/dbraw/zinc/60/22/25/937602225.db2.gz PETUDEORDBHJOT-UHFFFAOYSA-N 1 0 253.649 1.288 20 5 CDBDRO [NH3+]Cc1cn(-c2ncc([N+](=O)[O-])cc2Cl)cn1 ZINC001154905487 937602279 /nfs/dbraw/zinc/60/22/79/937602279.db2.gz JBPKCDCBGRDSPC-UHFFFAOYSA-N 1 0 253.649 1.288 20 5 CDBDRO COc1cc(C)nc(NC[C@@H]2C[C@H](F)C[NH2+]2)c1[N+](=O)[O-] ZINC001155033751 937623817 /nfs/dbraw/zinc/62/38/17/937623817.db2.gz PADUULZRCIGAPG-IUCAKERBSA-N 1 0 284.291 1.419 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CCCC[NH2+]1 ZINC001171335313 932755921 /nfs/dbraw/zinc/75/59/21/932755921.db2.gz VRXDPCWOEZLOEO-SNVBAGLBSA-N 1 0 293.323 1.935 20 5 CDBDRO CN(CC[N+](=O)[O-])C1CC[NH+](CCC(F)(F)F)CC1 ZINC000930672244 933426232 /nfs/dbraw/zinc/42/62/32/933426232.db2.gz HVDVPVNXKZCWFH-UHFFFAOYSA-N 1 0 283.294 1.612 20 5 CDBDRO CSCC(C)(C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000934676078 933966682 /nfs/dbraw/zinc/96/66/82/933966682.db2.gz SDVXQCQARIKBPR-UHFFFAOYSA-N 1 0 258.347 1.523 20 5 CDBDRO CC(C)[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001045437417 935885040 /nfs/dbraw/zinc/88/50/40/935885040.db2.gz QCCRWYWORKISNT-GHMZBOCLSA-N 1 0 269.345 1.031 20 5 CDBDRO Cn1ccnc1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001123922112 936246826 /nfs/dbraw/zinc/24/68/26/936246826.db2.gz UWQFOXXBSZRPGE-UHFFFAOYSA-N 1 0 292.270 1.440 20 5 CDBDRO CC(C)[NH2+]CC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001122266547 937916664 /nfs/dbraw/zinc/91/66/64/937916664.db2.gz CXTCDKZNQMEIME-NSHDSACASA-N 1 0 279.340 1.813 20 5 CDBDRO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001122321073 937921003 /nfs/dbraw/zinc/92/10/03/937921003.db2.gz SBMDBYGBUUYPAD-SWLSCSKDSA-N 1 0 289.335 1.477 20 5 CDBDRO CC(C)N(CCC[NH3+])c1ncc([N+](=O)[O-])cc1F ZINC001156117786 938321582 /nfs/dbraw/zinc/32/15/82/938321582.db2.gz BAYDMPAEIDYCAJ-UHFFFAOYSA-N 1 0 256.281 1.693 20 5 CDBDRO [NH3+]CCc1nccn1-c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001156478697 938373314 /nfs/dbraw/zinc/37/33/14/938373314.db2.gz OIYRSRMILRGIOD-UHFFFAOYSA-N 1 0 272.268 1.158 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(-n2ccc(C[NH3+])cc2=N)n1 ZINC001156849756 938425260 /nfs/dbraw/zinc/42/52/60/938425260.db2.gz BFYQZQQYCYYCLE-UHFFFAOYSA-N 1 0 294.702 1.075 20 5 CDBDRO O=[N+]([O-])c1ccnc(N[C@@H]2CCCN(C3COC3)C2)c1 ZINC001157580684 938514826 /nfs/dbraw/zinc/51/48/26/938514826.db2.gz CYNWUQSNSPPQGN-SNVBAGLBSA-N 1 0 278.312 1.265 20 5 CDBDRO C[NH+](C)CC(C)(C)CNc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001157942181 938567122 /nfs/dbraw/zinc/56/71/22/938567122.db2.gz QRFKBZWNFKZMJD-UHFFFAOYSA-N 1 0 297.315 1.898 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(CC[NH3+])c1cccnc1 ZINC001158000619 938573733 /nfs/dbraw/zinc/57/37/33/938573733.db2.gz DRACKTFFRAVUPI-UHFFFAOYSA-N 1 0 289.295 1.028 20 5 CDBDRO [NH3+]Cc1cnnn1-c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001158427695 938623088 /nfs/dbraw/zinc/62/30/88/938623088.db2.gz DWSQOZKGPUMPKQ-UHFFFAOYSA-N 1 0 297.278 1.091 20 5 CDBDRO Cc1nc(N2CCC[C@@](C)(C[NH3+])C2)ncc1[N+](=O)[O-] ZINC001158682293 938650214 /nfs/dbraw/zinc/65/02/14/938650214.db2.gz CGUCJKAWKNWBTF-LBPRGKRZSA-N 1 0 265.317 1.258 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@H]2C[NH2+]C[C@H]2CO)c2ccccc21 ZINC001159678159 938744653 /nfs/dbraw/zinc/74/46/53/938744653.db2.gz OUPSGUXGTDSYFD-CABZTGNLSA-N 1 0 288.307 1.135 20 5 CDBDRO [NH3+]Cc1cccc2ccn(-c3cc([N+](=O)[O-])cc[n+]3[O-])c21 ZINC001160453025 938788016 /nfs/dbraw/zinc/78/80/16/938788016.db2.gz BFYDFSPAKXAMMR-UHFFFAOYSA-N 1 0 284.275 1.631 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1NCc1ccccc1C[NH3+] ZINC001160907822 938841860 /nfs/dbraw/zinc/84/18/60/938841860.db2.gz BBHQPRSHWIMYPO-UHFFFAOYSA-N 1 0 273.296 1.643 20 5 CDBDRO C[C@@]1([NH3+])C[C@H](Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)C1 ZINC001162328531 939024495 /nfs/dbraw/zinc/02/44/95/939024495.db2.gz FAKHRFOOWLTBAJ-OGXFKERWSA-N 1 0 261.285 1.763 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](Nc2cc([N+](=O)[O-])c3nccn3c2)C1 ZINC001162402697 939046047 /nfs/dbraw/zinc/04/60/47/939046047.db2.gz VRYTZVHUMTXULV-NXEZZACHSA-N 1 0 275.312 1.924 20 5 CDBDRO COc1ccnc(NC[C@@H]2C[C@H](F)C[NH2+]2)c1[N+](=O)[O-] ZINC001162472741 939062686 /nfs/dbraw/zinc/06/26/86/939062686.db2.gz PXGOKUWXQRTLPP-YUMQZZPRSA-N 1 0 270.264 1.110 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162476155 939063449 /nfs/dbraw/zinc/06/34/49/939063449.db2.gz QDLIVRPOWBLFDE-YUMQZZPRSA-N 1 0 269.280 1.143 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2nccc2C[NH3+])c1 ZINC001162597934 939100374 /nfs/dbraw/zinc/10/03/74/939100374.db2.gz VTWPFPQSSHLRIY-UHFFFAOYSA-N 1 0 276.252 1.026 20 5 CDBDRO COC(=O)c1cc(C)nc(N[C@@H]2CC[NH2+][C@@H]2C)c1[N+](=O)[O-] ZINC001162673315 939111566 /nfs/dbraw/zinc/11/15/66/939111566.db2.gz MCLKKJKLKFKYFY-PSASIEDQSA-N 1 0 294.311 1.247 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2ccc(NC[C@@H]3CC[NH2+]C[C@@H]3F)nc21 ZINC001162804987 939146803 /nfs/dbraw/zinc/14/68/03/939146803.db2.gz DENCAJNEJURWLW-IUCAKERBSA-N 1 0 293.302 1.831 20 5 CDBDRO O=[N+]([O-])c1c(F)cc(F)cc1N[C@H]1COCCC12C[NH2+]C2 ZINC001163073463 939191128 /nfs/dbraw/zinc/19/11/28/939191128.db2.gz OUTBCTKWBUTYSJ-NSHDSACASA-N 1 0 299.277 1.663 20 5 CDBDRO Cc1cc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)ncc1[N+](=O)[O-] ZINC001163165221 939218475 /nfs/dbraw/zinc/21/84/75/939218475.db2.gz ARNDUNZMSCIKBB-NQBHXWOUSA-N 1 0 292.339 1.335 20 5 CDBDRO Cc1c(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)cc(F)cc1[N+](=O)[O-] ZINC001163250985 939232296 /nfs/dbraw/zinc/23/22/96/939232296.db2.gz PVJAIONESHXWHE-DGCLKSJQSA-N 1 0 294.286 1.032 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)nc1 ZINC001163307186 939243756 /nfs/dbraw/zinc/24/37/56/939243756.db2.gz WPRFJGRPXBWTHL-MFKMUULPSA-N 1 0 278.312 1.313 20 5 CDBDRO Cc1nnc(C[NH3+])n1-c1cc(C)c2cc([N+](=O)[O-])ccc2n1 ZINC001163346933 939253291 /nfs/dbraw/zinc/25/32/91/939253291.db2.gz WCVGDORWJRXLDB-UHFFFAOYSA-N 1 0 298.306 1.799 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2ncnc(N[C@H]3C[NH+]4CCC3CC4)c12 ZINC001163386107 939259924 /nfs/dbraw/zinc/25/99/24/939259924.db2.gz MOHGIZVNGGOZGQ-VIFPVBQESA-N 1 0 288.311 1.372 20 5 CDBDRO [NH3+]CCN(CCO)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001163832912 939339267 /nfs/dbraw/zinc/33/92/67/939339267.db2.gz YRNDVOUCUKEPRY-UHFFFAOYSA-N 1 0 293.245 1.371 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H](C)CC[C@H]2C[NH3+])n1 ZINC001164070877 939405128 /nfs/dbraw/zinc/40/51/28/939405128.db2.gz POWGUNKLKGXDQF-CBAPKCEASA-N 1 0 299.762 1.910 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C[C@H]2C1 ZINC001165149976 939519037 /nfs/dbraw/zinc/51/90/37/939519037.db2.gz LVBGUCWXWYMBBE-AOOOYVTPSA-N 1 0 287.323 1.469 20 5 CDBDRO Cc1c[n+]([O-])c(NCC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001165261351 939535882 /nfs/dbraw/zinc/53/58/82/939535882.db2.gz OYKYVPUMUNGJBX-GFCCVEGCSA-N 1 0 294.355 1.680 20 5 CDBDRO COc1cc(N2CCC(C3C[NH2+]C3)CC2)ncc1[N+](=O)[O-] ZINC001165411886 939560910 /nfs/dbraw/zinc/56/09/10/939560910.db2.gz ZBYGXYZKQGQIRC-UHFFFAOYSA-N 1 0 292.339 1.434 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(-n2ccnc2CC[NH3+])c1F ZINC001166383806 939606567 /nfs/dbraw/zinc/60/65/67/939606567.db2.gz QTJQYFAYHZHLKH-UHFFFAOYSA-N 1 0 264.260 1.729 20 5 CDBDRO Cc1cnc(N(C)C[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001166955414 939658864 /nfs/dbraw/zinc/65/88/64/939658864.db2.gz WBPMUMCZPFBNMF-SNVBAGLBSA-N 1 0 250.302 1.344 20 5 CDBDRO CN(C[C@@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001166957845 939659570 /nfs/dbraw/zinc/65/95/70/939659570.db2.gz LNBXXNRBCHCRDN-SECBINFHSA-N 1 0 275.312 1.517 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCc1ccc(S(C)(=O)=O)cc1 ZINC001209895375 940650354 /nfs/dbraw/zinc/65/03/54/940650354.db2.gz NVTCBGBTHZEEMP-LBPRGKRZSA-N 1 0 286.417 1.701 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@@](C)([NH3+])C2)cc1[N+](=O)[O-] ZINC000405853959 940998311 /nfs/dbraw/zinc/99/83/11/940998311.db2.gz ZKLCWUVKNSYQQU-CYBMUJFWSA-N 1 0 263.297 1.467 20 5 CDBDRO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@H]1CC[NH2+]C1 ZINC001217821687 941021334 /nfs/dbraw/zinc/02/13/34/941021334.db2.gz UZKARCQGBOOKBB-VIFPVBQESA-N 1 0 280.280 1.260 20 5 CDBDRO O=c1cc(O[C@H]2CCC[NH2+]C2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001218281585 941050535 /nfs/dbraw/zinc/05/05/35/941050535.db2.gz IVLJTPUVHBPURV-JTQLQIEISA-N 1 0 289.291 1.979 20 5 CDBDRO COc1cccc([N+](=O)[O-])c1O[C@@H]1CCC[NH2+]C1 ZINC001218282963 941051259 /nfs/dbraw/zinc/05/12/59/941051259.db2.gz GESLSZUYTSYHFN-SECBINFHSA-N 1 0 252.270 1.734 20 5 CDBDRO Cc1c(COC[C@H]2CN(C)CCO2)cccc1[N+](=O)[O-] ZINC001223329837 941670390 /nfs/dbraw/zinc/67/03/90/941670390.db2.gz AJNNFTMEXZSDEW-CYBMUJFWSA-N 1 0 280.324 1.750 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCC(=O)Nc1ccccc1 ZINC001224462127 941757477 /nfs/dbraw/zinc/75/74/77/941757477.db2.gz YWEKQTOIBPEUHW-LBPRGKRZSA-O 1 0 251.350 1.736 20 5 CDBDRO Cc1c(O)ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1C ZINC001225776993 941912471 /nfs/dbraw/zinc/91/24/71/941912471.db2.gz GYWKGZJTLIMYEJ-GFCCVEGCSA-O 1 0 282.360 1.372 20 5 CDBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ncc([N+](=O)[O-])cn2)CC1 ZINC001226733631 942060324 /nfs/dbraw/zinc/06/03/24/942060324.db2.gz RFUHZOPQTSEFKM-HOMQSWHASA-N 1 0 266.301 1.636 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3o2)C1 ZINC001227227708 942152980 /nfs/dbraw/zinc/15/29/80/942152980.db2.gz BZUJNQHCMPPGTD-SECBINFHSA-N 1 0 263.253 1.819 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1nc(=O)[nH]c2sccc21 ZINC001227843991 942237098 /nfs/dbraw/zinc/23/70/98/942237098.db2.gz YUXJOABNSBLKIV-QMMMGPOBSA-O 1 0 268.362 1.870 20 5 CDBDRO COC(=O)c1ccc(Cl)c(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001230342964 942609673 /nfs/dbraw/zinc/60/96/73/942609673.db2.gz LUTHLZYKCWNROJ-VIFPVBQESA-N 1 0 287.767 1.995 20 5 CDBDRO C[N@@H+]1CC[C@H](Oc2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC001233597206 943623758 /nfs/dbraw/zinc/62/37/58/943623758.db2.gz JNLYEFIWLGRPKX-ZETCQYMHSA-N 1 0 258.224 1.956 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2c1CSC2 ZINC001233894431 943685374 /nfs/dbraw/zinc/68/53/74/943685374.db2.gz ABHLVCVYERSTMN-SECBINFHSA-N 1 0 254.379 1.697 20 5 CDBDRO COC(=O)c1c(OC)cccc1O[C@@H](C)C[N+](C)(C)C ZINC001234600088 943909845 /nfs/dbraw/zinc/90/98/45/943909845.db2.gz BMRQOUCOKFXPHM-NSHDSACASA-N 1 0 282.360 1.955 20 5 CDBDRO CC(=O)Nc1ccc(O[C@H](C)C[N+](C)(C)C)nc1 ZINC001234649662 943927454 /nfs/dbraw/zinc/92/74/54/943927454.db2.gz SGXDLEVXZDMKTP-SNVBAGLBSA-O 1 0 252.338 1.514 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC001261851285 946303144 /nfs/dbraw/zinc/30/31/44/946303144.db2.gz ODSJLPONQGNCKO-NSHDSACASA-N 1 0 279.344 1.614 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCCOc1cccc2cccnc21 ZINC001262564205 946714703 /nfs/dbraw/zinc/71/47/03/946714703.db2.gz BIBDCTWHMQRSPU-UHFFFAOYSA-N 1 0 275.308 1.870 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CC(CO)C3)CC2)cc1 ZINC001254479048 947454771 /nfs/dbraw/zinc/45/47/71/947454771.db2.gz PVBTZJDVMSHIFU-UHFFFAOYSA-N 1 0 291.351 1.488 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(O)CC1 ZINC001254550090 947519953 /nfs/dbraw/zinc/51/99/53/947519953.db2.gz CNPBUOPDLSAPAK-NSHDSACASA-N 1 0 264.325 1.983 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCNC(=O)C1 ZINC001254548862 947521061 /nfs/dbraw/zinc/52/10/61/947521061.db2.gz NCLYSWPFIVEQSB-AAEUAGOBSA-N 1 0 291.351 1.784 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001254550177 947522757 /nfs/dbraw/zinc/52/27/57/947522757.db2.gz DZRWVSFZKDYIJP-MPKXVKKWSA-N 1 0 282.315 1.931 20 5 CDBDRO Cc1cnc(CC[NH3+])n1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573003 947532322 /nfs/dbraw/zinc/53/23/22/947532322.db2.gz VEPUOILUHWWXFN-CQSZACIVSA-N 1 0 286.335 1.941 20 5 CDBDRO CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254578784 947535256 /nfs/dbraw/zinc/53/52/56/947535256.db2.gz NEAPZYIUKMPRJA-IHRRRGAJSA-N 1 0 289.335 1.319 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1(O)CCOCC1)C2 ZINC001254581780 947537608 /nfs/dbraw/zinc/53/76/08/947537608.db2.gz MOTSAARLMRNFNR-ZDUSSCGKSA-N 1 0 292.335 1.193 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H](CO)c1cccnc1)C2 ZINC001254589665 947541881 /nfs/dbraw/zinc/54/18/81/947541881.db2.gz QRMVDGZIXBWIJO-HOCLYGCPSA-N 1 0 299.330 1.780 20 5 CDBDRO C[C@H]1C[C@@H](CO)[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254595897 947545645 /nfs/dbraw/zinc/54/56/45/947545645.db2.gz ADLWHENTVOMKPE-VQISRLSMSA-N 1 0 276.336 1.765 20 5 CDBDRO COCC[N@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254595940 947546090 /nfs/dbraw/zinc/54/60/90/947546090.db2.gz AKLRLJPMKATDEE-ZDUSSCGKSA-N 1 0 250.298 1.640 20 5 CDBDRO O=C1CCC[C@H](C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)N1 ZINC001254597929 947547429 /nfs/dbraw/zinc/54/74/29/947547429.db2.gz JLWZIUMHOHYXTC-CHWSQXEVSA-N 1 0 289.335 1.320 20 5 CDBDRO CCOC(=O)CC[N@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602051 947548934 /nfs/dbraw/zinc/54/89/34/947548934.db2.gz ABJMNFUOGDXQGB-CQSZACIVSA-N 1 0 292.335 1.947 20 5 CDBDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604905 947554401 /nfs/dbraw/zinc/55/44/01/947554401.db2.gz YMCLGUGTWOXUTJ-KMUNFCNLSA-N 1 0 276.336 1.907 20 5 CDBDRO CC1(N[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[NH2+]C1 ZINC001246123923 947973150 /nfs/dbraw/zinc/97/31/50/947973150.db2.gz VNBCKKPANRIQSY-ZDUSSCGKSA-N 1 0 275.352 1.794 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@](C)([NH3+])C1 ZINC001246533301 948235122 /nfs/dbraw/zinc/23/51/22/948235122.db2.gz CTWICCDXJTWERA-RISCZKNCSA-N 1 0 263.341 1.949 20 5 CDBDRO COc1ccc(C[C@H](C)N2C[C@@H](C)[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001246567659 948286953 /nfs/dbraw/zinc/28/69/53/948286953.db2.gz NFNCEUZEWLMFAI-UHIISALHSA-N 1 0 293.367 1.813 20 5 CDBDRO [NH3+][C@@H]1C[C@@H](F)CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246571066 948292525 /nfs/dbraw/zinc/29/25/25/948292525.db2.gz DBEXXDYLJSHIOK-BZPMIXESSA-N 1 0 279.315 1.433 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N(C1CC1)C1C[NH2+]C1 ZINC001246861747 948487042 /nfs/dbraw/zinc/48/70/42/948487042.db2.gz DENYKPIIKMKJSX-LLVKDONJSA-N 1 0 275.352 1.962 20 5 CDBDRO COc1ccc(C[C@H](C)N2C[C@H]3C[C@@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC001246869634 948493068 /nfs/dbraw/zinc/49/30/68/948493068.db2.gz NAPQQFNQWBKVNG-JVLSTEMRSA-N 1 0 291.351 1.567 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CCCC[NH2+]2)n1 ZINC001247803654 948787363 /nfs/dbraw/zinc/78/73/63/948787363.db2.gz TXPLCOOGLOHWTQ-MRVPVSSYSA-N 1 0 293.258 1.994 20 5 CDBDRO CC1(c2nc(-c3ccc([N+](=O)[O-])o3)no2)C[NH2+]C1 ZINC001325934749 954147671 /nfs/dbraw/zinc/14/76/71/954147671.db2.gz ZLFABJQHVCSHGM-UHFFFAOYSA-N 1 0 250.214 1.099 20 5 CDBDRO CO[C@H](C)[C@@H](C)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001308930906 956599237 /nfs/dbraw/zinc/59/92/37/956599237.db2.gz MSVVPJMRZLWBKG-DMTCVQMQSA-N 1 0 298.339 1.002 20 5 CDBDRO COc1cc(C(=O)NOCC[NH+](C)C)cc([N+](=O)[O-])c1C ZINC001330818545 956649636 /nfs/dbraw/zinc/64/96/36/956649636.db2.gz DYNCDGUKUICCSJ-UHFFFAOYSA-N 1 0 297.311 1.135 20 5 CDBDRO [NH3+][C@H]1CC[C@H](C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001331026795 956769891 /nfs/dbraw/zinc/76/98/91/956769891.db2.gz FDKVZQBPIQUFQA-MJHDQNEOSA-N 1 0 289.335 1.955 20 5 CDBDRO [NH3+]CCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC001328712253 956904576 /nfs/dbraw/zinc/90/45/76/956904576.db2.gz QOSUMLRVZVXILF-UHFFFAOYSA-N 1 0 270.264 1.594 20 5 CDBDRO [NH3+][C@H](CC(F)F)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001332010147 957398859 /nfs/dbraw/zinc/39/88/59/957398859.db2.gz AZPGUPIDZTWNJR-LLVKDONJSA-N 1 0 285.294 1.935 20 5 CDBDRO CC(C)(C)[NH2+]CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001318754056 958254484 /nfs/dbraw/zinc/25/44/84/958254484.db2.gz HBRNAGXSYLJHOT-UHFFFAOYSA-N 1 0 277.324 1.872 20 5 CDBDRO CC[N@@H+]1CCC[C@H](CNc2c(C)cncc2[N+](=O)[O-])C1 ZINC001333671612 958499270 /nfs/dbraw/zinc/49/92/70/958499270.db2.gz MBHQLJRRMHDOGS-GFCCVEGCSA-N 1 0 278.356 1.864 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(NCC[NH+]3CC=CC3)c21 ZINC001320221500 959019399 /nfs/dbraw/zinc/01/93/99/959019399.db2.gz WZALMXIEWYUSRP-UHFFFAOYSA-N 1 0 285.307 1.822 20 5 CDBDRO COCC[N@@H+]1CCC[C@@H](Nc2ncc([N+](=O)[O-])c(C)n2)C1 ZINC001334890517 959436728 /nfs/dbraw/zinc/43/67/28/959436728.db2.gz YIMJRYTXMIBMRX-LLVKDONJSA-N 1 0 295.343 1.216 20 5 CDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CO1 ZINC001335439088 959802798 /nfs/dbraw/zinc/80/27/98/959802798.db2.gz AKMJARNEEHGLKI-IRUJWGPZSA-N 1 0 266.297 1.395 20 5 CDBDRO CC[NH+](CC)CCNc1c(C)cncc1[N+](=O)[O-] ZINC001339793546 962544198 /nfs/dbraw/zinc/54/41/98/962544198.db2.gz NDSPUYBCVUWAPF-UHFFFAOYSA-N 1 0 252.318 1.474 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC2(C[NH2+]C2)CC1 ZINC001340556463 963004532 /nfs/dbraw/zinc/00/45/32/963004532.db2.gz IKFFECPOLLZVQG-UHFFFAOYSA-N 1 0 289.335 1.349 20 5 CDBDRO O=C(NC[C@H]1CCCCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001341439574 963418013 /nfs/dbraw/zinc/41/80/13/963418013.db2.gz ZFHVOEBYZOVLRL-LLVKDONJSA-N 1 0 277.324 1.857 20 5 CDBDRO C[C@H]([NH3+])CN(C)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001342336625 963714688 /nfs/dbraw/zinc/71/46/88/963714688.db2.gz CRSSMCPDAQOINZ-XDTLVQLUSA-N 1 0 277.324 1.504 20 5 CDBDRO Cc1nc(N2CCC[C@H]([NH2+]C(C)C)C2)ncc1[N+](=O)[O-] ZINC001344113941 964237423 /nfs/dbraw/zinc/23/74/23/964237423.db2.gz SIPSPLRGNYSJBI-NSHDSACASA-N 1 0 279.344 1.660 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001346057748 964903818 /nfs/dbraw/zinc/90/38/18/964903818.db2.gz RSGVCDZFEPZWEI-LERXQTSPSA-N 1 0 291.351 1.813 20 5 CDBDRO CC1CC[NH+](CCNc2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001347919573 965751148 /nfs/dbraw/zinc/75/11/48/965751148.db2.gz XRIUUSHVSAAVNW-UHFFFAOYSA-N 1 0 279.344 1.716 20 5 CDBDRO CC[NH2+][C@H](C)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001349596736 966401017 /nfs/dbraw/zinc/40/10/17/966401017.db2.gz MFUBJXDJRAZPJZ-SECBINFHSA-N 1 0 263.297 1.435 20 5 CDBDRO Cc1cc(NC(=O)C[NH2+]C[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC001515789111 969917495 /nfs/dbraw/zinc/91/74/95/969917495.db2.gz LCXDGXHNRWAGFS-ZDUSSCGKSA-N 1 0 293.323 1.610 20 5 CDBDRO COC(=O)c1cc(NC(=O)CCC[NH3+])c(C)c([N+](=O)[O-])c1 ZINC001573937631 1170834015 /nfs/dbraw/zinc/83/40/15/1170834015.db2.gz BKZXQQYLEMPXOE-UHFFFAOYSA-N 1 0 295.295 1.367 20 5 CDBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC/C=C\C[NH3+] ZINC001577095946 1171600008 /nfs/dbraw/zinc/60/00/08/1171600008.db2.gz BCWOKNPRGCSTFH-SCOBNMCVSA-N 1 0 291.351 1.795 20 5 CDBDRO CCN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@H]1CC[NH2+]C1 ZINC001577643423 1171709463 /nfs/dbraw/zinc/70/94/63/1171709463.db2.gz CCPXPUXYZUOWRP-QMMMGPOBSA-N 1 0 299.277 1.697 20 5 CDBDRO CC[C@@H](CO)Nc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601098973 342463912 /nfs/dbraw/zinc/46/39/12/342463912.db2.gz MLKNPZQSCHNNHJ-VIFPVBQESA-N 1 0 261.281 1.748 20 5 CDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1c([N+](=O)[O-])ncn1C ZINC000588085492 342492412 /nfs/dbraw/zinc/49/24/12/342492412.db2.gz LFPQBBJQDIMNKL-WDEREUQCSA-N 1 0 279.344 1.391 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000070172191 361738279 /nfs/dbraw/zinc/73/82/79/361738279.db2.gz QEQVPUBVVYKKRE-VHSXEESVSA-N 1 0 295.314 1.933 20 5 CDBDRO Cc1sc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000289991427 197553943 /nfs/dbraw/zinc/55/39/43/197553943.db2.gz YKANZKMHPKKCSN-VHSXEESVSA-N 1 0 295.364 1.646 20 5 CDBDRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000289814387 361797595 /nfs/dbraw/zinc/79/75/95/361797595.db2.gz ZZZSETIPSIRDSY-UONOGXRCSA-N 1 0 291.351 1.845 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ncccc1[N+](=O)[O-] ZINC000590569133 342576219 /nfs/dbraw/zinc/57/62/19/342576219.db2.gz MDGIOAKXCPFVSC-NXEZZACHSA-N 1 0 250.302 1.519 20 5 CDBDRO O=[N+]([O-])c1ccsc1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000590722042 342583844 /nfs/dbraw/zinc/58/38/44/342583844.db2.gz QAIPAZAVKJAINR-AOOOYVTPSA-N 1 0 283.353 1.931 20 5 CDBDRO C[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591144484 342618398 /nfs/dbraw/zinc/61/83/98/342618398.db2.gz WTPJDPXLXZMCFP-UHFFFAOYSA-N 1 0 268.292 1.883 20 5 CDBDRO C[NH+]1CC2(C1)CCN(C(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000618921277 349557055 /nfs/dbraw/zinc/55/70/55/349557055.db2.gz UBEGMJGXDRRSPZ-UHFFFAOYSA-N 1 0 275.308 1.373 20 5 CDBDRO C[C@@H](O)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000591758750 342644212 /nfs/dbraw/zinc/64/42/12/342644212.db2.gz DSYAIZDFRGNRFL-MRVPVSSYSA-N 1 0 258.705 1.761 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC2C[NH2+]C2)c(Br)c1 ZINC000592159137 342670877 /nfs/dbraw/zinc/67/08/77/342670877.db2.gz DGMRZUXTCGIQCQ-UHFFFAOYSA-N 1 0 287.113 1.956 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000592439028 342692887 /nfs/dbraw/zinc/69/28/87/342692887.db2.gz XVQPFBPCEPVVJG-IUCAKERBSA-N 1 0 255.293 1.949 20 5 CDBDRO CC(C)(CO)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592429341 342694875 /nfs/dbraw/zinc/69/48/75/342694875.db2.gz DLMNIPWFPDWCBR-UHFFFAOYSA-N 1 0 295.339 1.532 20 5 CDBDRO COCCN(CC[NH+](C)C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000592758577 342724686 /nfs/dbraw/zinc/72/46/86/342724686.db2.gz JJJWMAKOMCSTGK-UHFFFAOYSA-N 1 0 295.339 1.245 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@]2(O)CCCOC2)cc1 ZINC000593690956 342823471 /nfs/dbraw/zinc/82/34/71/342823471.db2.gz CTJVRNXZQDWXRY-AWEZNQCLSA-N 1 0 280.324 1.616 20 5 CDBDRO CC[C@@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000129817132 342197182 /nfs/dbraw/zinc/19/71/82/342197182.db2.gz NZINFAQQQUKAKB-GFCCVEGCSA-N 1 0 263.297 1.217 20 5 CDBDRO C[C@@H]([NH2+][C@@H](CO)CCF)c1ccc([N+](=O)[O-])cc1 ZINC000593719405 342828865 /nfs/dbraw/zinc/82/88/65/342828865.db2.gz XMYVEEWEYRXGQC-MWLCHTKSSA-N 1 0 256.277 1.966 20 5 CDBDRO C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1CC[NH3+] ZINC000593733971 342830644 /nfs/dbraw/zinc/83/06/44/342830644.db2.gz PPURBMXHFYJSHS-AAEUAGOBSA-N 1 0 281.360 1.241 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1COCCN1 ZINC000600678737 342244226 /nfs/dbraw/zinc/24/42/26/342244226.db2.gz TZSZLEVECXFBAE-MASHWEEQSA-N 1 0 277.324 1.186 20 5 CDBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])c[nH]1 ZINC000594417092 342902751 /nfs/dbraw/zinc/90/27/51/342902751.db2.gz ABXQNWLKJHISCP-DGCLKSJQSA-N 1 0 292.339 1.670 20 5 CDBDRO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000595296619 343027431 /nfs/dbraw/zinc/02/74/31/343027431.db2.gz LOWJRFAGYAYIIK-SNVBAGLBSA-N 1 0 269.301 1.750 20 5 CDBDRO Cc1noc(C[NH2+][C@H]2CSC[C@@H]2C)c1[N+](=O)[O-] ZINC000595481287 343065139 /nfs/dbraw/zinc/06/51/39/343065139.db2.gz CRMXGMZEKJKPSA-XPUUQOCRSA-N 1 0 257.315 1.732 20 5 CDBDRO Cc1noc(C[N@@H+]2CCC[C@H](CCO)CC2)c1[N+](=O)[O-] ZINC000595545507 343083690 /nfs/dbraw/zinc/08/36/90/343083690.db2.gz INVOEEZCKGBFCO-NSHDSACASA-N 1 0 283.328 1.876 20 5 CDBDRO COc1ccc(CC(=O)N[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595993695 343213587 /nfs/dbraw/zinc/21/35/87/343213587.db2.gz ZXFNWXZBVRXMRN-CQSZACIVSA-N 1 0 293.323 1.014 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596111947 343230272 /nfs/dbraw/zinc/23/02/72/343230272.db2.gz FHXFDJUOZDCQNO-QMMMGPOBSA-N 1 0 252.274 1.059 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596127077 343237772 /nfs/dbraw/zinc/23/77/72/343237772.db2.gz TUAWDGNSLNZGOT-SNVBAGLBSA-N 1 0 292.339 1.082 20 5 CDBDRO C[NH+](C)C[C@@H](CO)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC000596244035 343285799 /nfs/dbraw/zinc/28/57/99/343285799.db2.gz OCUVERWQNDYMRT-NSHDSACASA-N 1 0 290.323 1.477 20 5 CDBDRO CC[C@H]([NH2+]Cc1cnnn1C)c1cccc([N+](=O)[O-])c1 ZINC000090224600 342394886 /nfs/dbraw/zinc/39/48/86/342394886.db2.gz ICWIZKXFTVKOFV-ZDUSSCGKSA-N 1 0 275.312 1.964 20 5 CDBDRO Cc1ccc(C[N@@H+]2CC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000092763598 342418883 /nfs/dbraw/zinc/41/88/83/342418883.db2.gz FVXRYFOKWOTGEA-LBPRGKRZSA-N 1 0 250.298 1.717 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000142892475 342434503 /nfs/dbraw/zinc/43/45/03/342434503.db2.gz MEHQATAGTRPTLL-LLVKDONJSA-N 1 0 262.313 1.664 20 5 CDBDRO C[NH+](C)C1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000596867138 343406488 /nfs/dbraw/zinc/40/64/88/343406488.db2.gz BEFSGBMVWODMEW-UHFFFAOYSA-N 1 0 263.297 1.305 20 5 CDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)c1 ZINC000226462157 365755986 /nfs/dbraw/zinc/75/59/86/365755986.db2.gz IYDYVQSXOBUCRT-JTQLQIEISA-N 1 0 299.352 1.015 20 5 CDBDRO CCc1n[nH]c(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c1[N+](=O)[O-] ZINC000597700549 343603439 /nfs/dbraw/zinc/60/34/39/343603439.db2.gz NJFHJCATRYCEBS-SCZZXKLOSA-N 1 0 295.343 1.045 20 5 CDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc(CC)c2[N+](=O)[O-])C1 ZINC000598341409 343770115 /nfs/dbraw/zinc/77/01/15/343770115.db2.gz AYUOUOSSZJLZQN-VIFPVBQESA-N 1 0 295.343 1.094 20 5 CDBDRO COC[C@@H](O)CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000231604275 362330003 /nfs/dbraw/zinc/33/00/03/362330003.db2.gz KYMAEEYUHMMBBX-LBPRGKRZSA-N 1 0 268.313 1.390 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC=CCC1 ZINC000612121912 347031255 /nfs/dbraw/zinc/03/12/55/347031255.db2.gz SYGIZLJQXUDRBZ-LBPRGKRZSA-N 1 0 278.308 1.596 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccsc2)c1 ZINC000063152707 344396080 /nfs/dbraw/zinc/39/60/80/344396080.db2.gz ZGJYFTQZGXTPLX-NSHDSACASA-N 1 0 282.325 1.004 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000602487243 344449849 /nfs/dbraw/zinc/44/98/49/344449849.db2.gz IWPZMWHGZTXNEB-VIFPVBQESA-N 1 0 281.287 1.606 20 5 CDBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000602494432 344451348 /nfs/dbraw/zinc/45/13/48/344451348.db2.gz XZNIMWNBQCYWAF-ONGXEEELSA-N 1 0 293.298 1.558 20 5 CDBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000602526186 344453921 /nfs/dbraw/zinc/45/39/21/344453921.db2.gz DDYJVCYWWBQWET-CYBMUJFWSA-N 1 0 277.324 1.665 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000602782732 344597930 /nfs/dbraw/zinc/59/79/30/344597930.db2.gz WHKOLDUVHCGNSC-ZJUUUORDSA-N 1 0 252.318 1.830 20 5 CDBDRO C[NH2+][C@H](C)c1cn(CCOc2cccc([N+](=O)[O-])c2)nn1 ZINC000603202733 344734174 /nfs/dbraw/zinc/73/41/74/344734174.db2.gz XSBVWVHYJUUZTE-SNVBAGLBSA-N 1 0 291.311 1.546 20 5 CDBDRO Cn1ncc(CCC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC000292846558 362512719 /nfs/dbraw/zinc/51/27/19/362512719.db2.gz BLGRJWLSIHPZKR-UHFFFAOYSA-N 1 0 281.341 1.507 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2(CO)CC2)n1 ZINC000618571542 345055604 /nfs/dbraw/zinc/05/56/04/345055604.db2.gz BVOPZQXGAIKDQZ-NWDGAFQWSA-N 1 0 294.355 1.637 20 5 CDBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000120926680 345642296 /nfs/dbraw/zinc/64/22/96/345642296.db2.gz UHJAQFSKUDDLNI-HUBLWGQQSA-N 1 0 293.367 1.965 20 5 CDBDRO C[N@H+](CCCO)C1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000609670936 345988236 /nfs/dbraw/zinc/98/82/36/345988236.db2.gz TWPMKJMYWAPETQ-UHFFFAOYSA-N 1 0 299.396 1.939 20 5 CDBDRO COCC[C@H]([NH3+])CNCc1cc([N+](=O)[O-])ccc1OC ZINC001579004593 1172078171 /nfs/dbraw/zinc/07/81/71/1172078171.db2.gz UZHWCGMPUPTMRD-NSHDSACASA-N 1 0 283.328 1.057 20 5 CDBDRO COC(=O)C[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000610484837 346289514 /nfs/dbraw/zinc/28/95/14/346289514.db2.gz IBSYCGILIIQUHL-LLVKDONJSA-N 1 0 296.327 1.209 20 5 CDBDRO CC[NH+](CC)CCCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000344398279 362724299 /nfs/dbraw/zinc/72/42/99/362724299.db2.gz VEXAVBOEHBFSLV-UHFFFAOYSA-N 1 0 282.344 1.395 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](OCC[NH+](C)C)C2)n1 ZINC000611132730 346616895 /nfs/dbraw/zinc/61/68/95/346616895.db2.gz DBDPMHUJNJEVGR-LBPRGKRZSA-N 1 0 294.355 1.455 20 5 CDBDRO C[N@@H+]1CC[C@](O)(CNc2sccc2[N+](=O)[O-])C1 ZINC000613049745 347383381 /nfs/dbraw/zinc/38/33/81/347383381.db2.gz XOOOECWKVPYKIP-JTQLQIEISA-N 1 0 257.315 1.135 20 5 CDBDRO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[C@@H]1[NH3+] ZINC000122428589 347645231 /nfs/dbraw/zinc/64/52/31/347645231.db2.gz CWNXYBIFPGIJIT-IUCAKERBSA-N 1 0 283.353 1.856 20 5 CDBDRO COCc1cc([N+](=O)[O-])ccc1N1CC([NH+](C)C)C1 ZINC000273330194 192115377 /nfs/dbraw/zinc/11/53/77/192115377.db2.gz QYNJAGPKINNBFJ-UHFFFAOYSA-N 1 0 265.313 1.491 20 5 CDBDRO C[NH2+]CCCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111010072 349220455 /nfs/dbraw/zinc/22/04/55/349220455.db2.gz WYPSKYDWKOLXDE-UHFFFAOYSA-N 1 0 271.704 1.588 20 5 CDBDRO Cc1cnc(NC[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000090692036 180024367 /nfs/dbraw/zinc/02/43/67/180024367.db2.gz JTFXFAFGJMJXDJ-SNVBAGLBSA-N 1 0 250.302 1.662 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000090848265 180044854 /nfs/dbraw/zinc/04/48/54/180044854.db2.gz ZKABKKVQQPIOJF-RISCZKNCSA-N 1 0 280.324 1.705 20 5 CDBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000106365882 186110901 /nfs/dbraw/zinc/11/09/01/186110901.db2.gz RQMHAOUEGXXWJI-NSHDSACASA-N 1 0 277.324 1.714 20 5 CDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000106879708 186146387 /nfs/dbraw/zinc/14/63/87/186146387.db2.gz RBYPMHCWPMWJQT-LBPRGKRZSA-N 1 0 266.297 1.694 20 5 CDBDRO COc1cccc(C(=O)N[C@H]2CC[NH2+]C[C@H]2F)c1[N+](=O)[O-] ZINC001579260291 1172128713 /nfs/dbraw/zinc/12/87/13/1172128713.db2.gz ZAYRUBYTKHQDFS-ZJUUUORDSA-N 1 0 297.286 1.033 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000382439722 362960040 /nfs/dbraw/zinc/96/00/40/362960040.db2.gz ZKHFNAMBIXDFHZ-BLUMVJBISA-N 1 0 289.335 1.852 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000311763031 350713454 /nfs/dbraw/zinc/71/34/54/350713454.db2.gz VELMAQBGURPPGX-QWRGUYRKSA-N 1 0 265.288 1.385 20 5 CDBDRO C[NH2+]Cc1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000311841574 350724694 /nfs/dbraw/zinc/72/46/94/350724694.db2.gz HATHTZDJMZRHIX-UHFFFAOYSA-N 1 0 265.248 1.093 20 5 CDBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc(N)c([N+](=O)[O-])n3)C2)C1 ZINC000312740094 350791348 /nfs/dbraw/zinc/79/13/48/350791348.db2.gz VDDGZLQMXLDUTA-CYBMUJFWSA-N 1 0 277.328 1.104 20 5 CDBDRO [NH3+]C1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000208853834 350830715 /nfs/dbraw/zinc/83/07/15/350830715.db2.gz OUTJRVHJRXZRAJ-WAYWQWQTSA-N 1 0 275.308 1.558 20 5 CDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H](O)C1CC1 ZINC000079767916 350966782 /nfs/dbraw/zinc/96/67/82/350966782.db2.gz RVRQEXIVVPDJSJ-AWEZNQCLSA-N 1 0 280.324 1.676 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000124806999 351373512 /nfs/dbraw/zinc/37/35/12/351373512.db2.gz VHGCYCDOZDVSCY-MWLCHTKSSA-N 1 0 263.297 1.547 20 5 CDBDRO CO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000167218825 363044952 /nfs/dbraw/zinc/04/49/52/363044952.db2.gz GHXHGIJXPNSKSB-CHWSQXEVSA-N 1 0 293.323 1.173 20 5 CDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000122121735 187016161 /nfs/dbraw/zinc/01/61/61/187016161.db2.gz BMTNSOMPTWATRI-CYBMUJFWSA-N 1 0 265.313 1.698 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CCCC[NH3+])c1 ZINC000292014154 198134277 /nfs/dbraw/zinc/13/42/77/198134277.db2.gz DPTHTHUJRNGXLS-SNVBAGLBSA-N 1 0 295.339 1.851 20 5 CDBDRO Cc1c(CNC(=O)[C@H]([NH3+])CC(C)C)cccc1[N+](=O)[O-] ZINC000231856419 140219527 /nfs/dbraw/zinc/21/95/27/140219527.db2.gz PJTPZWCKLALXGL-GFCCVEGCSA-N 1 0 279.340 1.893 20 5 CDBDRO C[C@@H](CCCC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000292116197 198168592 /nfs/dbraw/zinc/16/85/92/198168592.db2.gz QBDNZJNVSKTIQG-VIFPVBQESA-N 1 0 280.328 1.424 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000135223027 187808063 /nfs/dbraw/zinc/80/80/63/187808063.db2.gz KLALKYKUOBXFJV-JTQLQIEISA-N 1 0 263.297 1.324 20 5 CDBDRO C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000135236411 187809941 /nfs/dbraw/zinc/80/99/41/187809941.db2.gz YABTWVXKAYSHIY-GWCFXTLKSA-N 1 0 277.324 1.333 20 5 CDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000155508484 188211061 /nfs/dbraw/zinc/21/10/61/188211061.db2.gz UYQDFXCYWGOMPJ-NSHDSACASA-N 1 0 294.355 1.496 20 5 CDBDRO CC[N@H+](CCO)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000155757927 188226244 /nfs/dbraw/zinc/22/62/44/188226244.db2.gz DHLIPMJLGGIYBL-NSHDSACASA-N 1 0 295.339 1.544 20 5 CDBDRO CC[N@H+](CCCO)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000135426503 358478484 /nfs/dbraw/zinc/47/84/84/358478484.db2.gz AEXHUERIDNIDDS-UHFFFAOYSA-N 1 0 268.313 1.808 20 5 CDBDRO [NH3+]CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000158680419 188389186 /nfs/dbraw/zinc/38/91/86/188389186.db2.gz ZWURAYNAVIKWOY-UHFFFAOYSA-N 1 0 287.703 1.092 20 5 CDBDRO C[NH+](C)C1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000271700585 191281722 /nfs/dbraw/zinc/28/17/22/191281722.db2.gz HIPFADSNGJJZEW-UHFFFAOYSA-N 1 0 297.742 1.563 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000135429349 358479810 /nfs/dbraw/zinc/47/98/10/358479810.db2.gz ZOZZPUHHJYFFGS-QWRGUYRKSA-N 1 0 277.324 1.713 20 5 CDBDRO C[C@@H]([NH3+])CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000063169909 363277970 /nfs/dbraw/zinc/27/79/70/363277970.db2.gz BPIBPLUZFXPFKS-SSDOTTSWSA-N 1 0 255.249 1.201 20 5 CDBDRO C[C@@H]([NH3+])CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000063169973 363278138 /nfs/dbraw/zinc/27/81/38/363278138.db2.gz BACDVBBIPGPNFE-SSDOTTSWSA-N 1 0 255.249 1.201 20 5 CDBDRO Cc1nn(C)c(NCC2=CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000271756186 191308362 /nfs/dbraw/zinc/30/83/62/191308362.db2.gz CWLTUTWKGLNYFA-UHFFFAOYSA-N 1 0 265.317 1.311 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000163251504 356110466 /nfs/dbraw/zinc/11/04/66/356110466.db2.gz RMPQDPDNFNSZKH-DGCLKSJQSA-N 1 0 263.341 1.806 20 5 CDBDRO CNc1ccc(C(=O)NC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000578359463 356520963 /nfs/dbraw/zinc/52/09/63/356520963.db2.gz WSQRUSWXYXGYLE-UHFFFAOYSA-N 1 0 266.301 1.104 20 5 CDBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)[C@H](C)C1 ZINC000286481691 356729919 /nfs/dbraw/zinc/72/99/19/356729919.db2.gz WRYQPHKHWGQGTB-SNVBAGLBSA-N 1 0 264.329 1.829 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000286522759 356816689 /nfs/dbraw/zinc/81/66/89/356816689.db2.gz NHQMLXIJPHXBOW-CHWSQXEVSA-N 1 0 280.324 1.949 20 5 CDBDRO NC(=O)CC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000048025347 357170731 /nfs/dbraw/zinc/17/07/31/357170731.db2.gz LBPTUMLDPMSDDW-UHFFFAOYSA-N 1 0 277.324 1.682 20 5 CDBDRO Cc1nc(N2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000261610033 357252581 /nfs/dbraw/zinc/25/25/81/357252581.db2.gz SDXOHHSNFLPIFH-QWRGUYRKSA-N 1 0 262.313 1.344 20 5 CDBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000290705434 357337111 /nfs/dbraw/zinc/33/71/11/357337111.db2.gz WGKXCUHHDPNYFI-SECBINFHSA-N 1 0 297.359 1.477 20 5 CDBDRO C[C@]1(C[NH3+])CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000262049429 357357563 /nfs/dbraw/zinc/35/75/63/357357563.db2.gz QVVIYWZRCWSZEQ-CQSZACIVSA-N 1 0 293.323 1.171 20 5 CDBDRO Cc1cnc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)s1 ZINC000184986133 357500474 /nfs/dbraw/zinc/50/04/74/357500474.db2.gz VXGYKOPKIRMHJE-VIFPVBQESA-N 1 0 281.341 1.907 20 5 CDBDRO CCN1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000190197055 358059375 /nfs/dbraw/zinc/05/93/75/358059375.db2.gz XRXCYRYHOGSGPN-UHFFFAOYSA-N 1 0 277.324 1.649 20 5 CDBDRO CC[N@H+](C)C[C@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000584538315 358151669 /nfs/dbraw/zinc/15/16/69/358151669.db2.gz MDNWMQZYIVZTNM-AWEZNQCLSA-N 1 0 295.383 1.382 20 5 CDBDRO C[C@@]1(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000062904032 358212938 /nfs/dbraw/zinc/21/29/38/358212938.db2.gz RHQNTMNRYFBQAT-CYBMUJFWSA-N 1 0 263.297 1.211 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000338071422 358735680 /nfs/dbraw/zinc/73/56/80/358735680.db2.gz CXKDTBJYFOBJMX-JTQLQIEISA-N 1 0 295.343 1.088 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000186716374 358818132 /nfs/dbraw/zinc/81/81/32/358818132.db2.gz LRIMCXVAYQSSCG-GWCFXTLKSA-N 1 0 277.324 1.631 20 5 CDBDRO CSc1ccc(C(=O)N[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000159216842 358841293 /nfs/dbraw/zinc/84/12/93/358841293.db2.gz AIXDQXGNULLTPO-JTQLQIEISA-N 1 0 295.364 1.784 20 5 CDBDRO COc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000060859453 358848383 /nfs/dbraw/zinc/84/83/83/358848383.db2.gz JIMPTWSHHWUQFI-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H](C)OC ZINC000291316998 358929417 /nfs/dbraw/zinc/92/94/17/358929417.db2.gz UGVPAQWBRIMNEW-FZMZJTMJSA-N 1 0 282.340 1.985 20 5 CDBDRO COc1cc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000159423975 359108238 /nfs/dbraw/zinc/10/82/38/359108238.db2.gz CHTVNTGVCDIDDF-ZJUUUORDSA-N 1 0 293.323 1.413 20 5 CDBDRO CN(CC1CC[NH+](C)CC1)c1ccc(N)cc1[N+](=O)[O-] ZINC000287985811 359144506 /nfs/dbraw/zinc/14/45/06/359144506.db2.gz RMNYJNYHLBYOPK-UHFFFAOYSA-N 1 0 278.356 1.955 20 5 CDBDRO CC[N@H+](CCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])C(C)C ZINC000338764561 359165875 /nfs/dbraw/zinc/16/58/75/359165875.db2.gz AIEFIRSNVIJGII-UHFFFAOYSA-N 1 0 283.332 1.086 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NCCOCC[NH+](C)C)n1 ZINC000231208226 359252865 /nfs/dbraw/zinc/25/28/65/359252865.db2.gz KEXADUSNRGMNMP-UHFFFAOYSA-N 1 0 268.317 1.288 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000049558837 359362213 /nfs/dbraw/zinc/36/22/13/359362213.db2.gz OZMYLBVWAFYUOC-VIFPVBQESA-N 1 0 283.303 1.804 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339675061 359426460 /nfs/dbraw/zinc/42/64/60/359426460.db2.gz BXGGLUQAVOHTMN-NSHDSACASA-N 1 0 264.329 1.950 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](CC3CC3)C2)c1 ZINC000339678338 359427432 /nfs/dbraw/zinc/42/74/32/359427432.db2.gz LFTYPJXDXWVDKZ-GXTWGEPZSA-N 1 0 294.355 1.274 20 5 CDBDRO CCOCCNC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296805450 200002900 /nfs/dbraw/zinc/00/29/00/200002900.db2.gz UMZZDPZLEVRQNI-NSHDSACASA-N 1 0 295.339 1.398 20 5 CDBDRO Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000296983715 200053149 /nfs/dbraw/zinc/05/31/49/200053149.db2.gz XXEVSOMPLCALHT-NSHDSACASA-N 1 0 292.339 1.976 20 5 CDBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000297163293 200102175 /nfs/dbraw/zinc/10/21/75/200102175.db2.gz PAYYUJUEVLPXIS-LBPRGKRZSA-N 1 0 293.371 1.861 20 5 CDBDRO Cc1nc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000297629612 200245869 /nfs/dbraw/zinc/24/58/69/200245869.db2.gz WYQFUGTYZYKTRQ-KWQFWETISA-N 1 0 265.317 1.080 20 5 CDBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000385753000 359916571 /nfs/dbraw/zinc/91/65/71/359916571.db2.gz DHSARZXIEJGSJE-DGCLKSJQSA-N 1 0 264.325 1.840 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062856982 360014312 /nfs/dbraw/zinc/01/43/12/360014312.db2.gz PNXQCQOSZPAWOC-HNNXBMFYSA-N 1 0 291.351 1.943 20 5 CDBDRO CC[N@H+](CCC(=O)OC)Cc1cccc([N+](=O)[O-])c1 ZINC000045914752 360041208 /nfs/dbraw/zinc/04/12/08/360041208.db2.gz QEFVTUIBAIADNU-UHFFFAOYSA-N 1 0 266.297 1.980 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000054264233 360066534 /nfs/dbraw/zinc/06/65/34/360066534.db2.gz FGHSJEBAMAKYII-UHFFFAOYSA-N 1 0 257.315 1.386 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000135882969 360138687 /nfs/dbraw/zinc/13/86/87/360138687.db2.gz QARMGCYRKPACSB-QWRGUYRKSA-N 1 0 277.324 1.713 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177176344 189034235 /nfs/dbraw/zinc/03/42/35/189034235.db2.gz WWXQDJPPHQQPAR-QWRGUYRKSA-N 1 0 289.335 1.950 20 5 CDBDRO Cc1cnc(N[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000382413239 360294291 /nfs/dbraw/zinc/29/42/91/360294291.db2.gz FUVSFRXHXUUQGU-VHSXEESVSA-N 1 0 250.302 1.980 20 5 CDBDRO C[C@@H](C[NH3+])C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000054341147 360601157 /nfs/dbraw/zinc/60/11/57/360601157.db2.gz LLHXXWUNYMCNSV-VIFPVBQESA-N 1 0 251.286 1.148 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)CN2CC[NH+](C)CC2)n1 ZINC000178217157 189098698 /nfs/dbraw/zinc/09/86/98/189098698.db2.gz IUBHKCPTIYGFER-GFCCVEGCSA-N 1 0 293.371 1.346 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000147960383 360747847 /nfs/dbraw/zinc/74/78/47/360747847.db2.gz AFICCLXAAAAKSG-QMMMGPOBSA-N 1 0 267.260 1.168 20 5 CDBDRO CCc1ccc(C(=O)NCC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000178957804 189157249 /nfs/dbraw/zinc/15/72/49/189157249.db2.gz GETFPNKKHJWXQT-LLVKDONJSA-N 1 0 291.351 1.887 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000575114058 360804964 /nfs/dbraw/zinc/80/49/64/360804964.db2.gz IKHLOJFMDDFHBL-ZOWXZIJZSA-N 1 0 294.351 1.639 20 5 CDBDRO [NH3+][C@@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000050244139 283592401 /nfs/dbraw/zinc/59/24/01/283592401.db2.gz GXHOYRIVSLRCLP-SNVBAGLBSA-N 1 0 258.281 1.680 20 5 CDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccnc1 ZINC000130990937 361030734 /nfs/dbraw/zinc/03/07/34/361030734.db2.gz LTLVYWYFHWUWTG-JTQLQIEISA-N 1 0 261.285 1.537 20 5 CDBDRO C[NH+](C)CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000180601979 189264449 /nfs/dbraw/zinc/26/44/49/189264449.db2.gz CBWSXHYPEXJPDS-UHFFFAOYSA-N 1 0 286.719 1.931 20 5 CDBDRO C[NH+](C)CC(C)(C)CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180892412 189282429 /nfs/dbraw/zinc/28/24/29/189282429.db2.gz UHZREMHFCZDEHG-UHFFFAOYSA-N 1 0 294.355 1.495 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000168703533 361393526 /nfs/dbraw/zinc/39/35/26/361393526.db2.gz WLHPUYVRHUBWLC-WDEREUQCSA-N 1 0 277.324 1.713 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000422814884 283676870 /nfs/dbraw/zinc/67/68/70/283676870.db2.gz WINYGXWSXQNLPL-SNVBAGLBSA-N 1 0 292.339 1.297 20 5 CDBDRO COc1ccc(CN(C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000036301514 361485316 /nfs/dbraw/zinc/48/53/16/361485316.db2.gz SOGOGIKLXGWSTE-UHFFFAOYSA-N 1 0 279.340 1.787 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000572716116 361605851 /nfs/dbraw/zinc/60/58/51/361605851.db2.gz XWVKNONUCAWSEK-CYBMUJFWSA-N 1 0 293.367 2.000 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)CC[NH+](C)C ZINC000278088454 239082942 /nfs/dbraw/zinc/08/29/42/239082942.db2.gz XVULJBPBPJPBLZ-LLVKDONJSA-N 1 0 279.340 1.973 20 5 CDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000248612495 361700278 /nfs/dbraw/zinc/70/02/78/361700278.db2.gz LFBKGCJQFDMIPO-RWMBFGLXSA-N 1 0 289.335 1.333 20 5 CDBDRO Cc1c(C[N@@H+](C)CC(C)(CO)CO)cccc1[N+](=O)[O-] ZINC000305130568 239373819 /nfs/dbraw/zinc/37/38/19/239373819.db2.gz QVSHLASTZFHNBV-UHFFFAOYSA-N 1 0 282.340 1.326 20 5 CDBDRO [NH3+][C@H]1C[C@@H](C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000580648464 363929668 /nfs/dbraw/zinc/92/96/68/363929668.db2.gz IPYHDQOEYXWDNU-TXEJJXNPSA-N 1 0 289.335 1.823 20 5 CDBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000581283721 363976649 /nfs/dbraw/zinc/97/66/49/363976649.db2.gz YGWXEUDLDUMOAF-LLVKDONJSA-N 1 0 296.371 1.784 20 5 CDBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000345816262 364023213 /nfs/dbraw/zinc/02/32/13/364023213.db2.gz KNVTYTGILMFGBR-STQMWFEESA-N 1 0 277.324 1.599 20 5 CDBDRO COc1ccc(C(=O)N(C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000237165362 364148871 /nfs/dbraw/zinc/14/88/71/364148871.db2.gz PYMVPBLLKGKDAU-MRVPVSSYSA-N 1 0 267.285 1.023 20 5 CDBDRO CC(C)(O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000545904682 364778691 /nfs/dbraw/zinc/77/86/91/364778691.db2.gz GPEKDECSCSLTIM-UHFFFAOYSA-N 1 0 294.355 1.273 20 5 CDBDRO CC[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000270827372 366934889 /nfs/dbraw/zinc/93/48/89/366934889.db2.gz CCEPHEFGYCCQRQ-TZMCWYRMSA-N 1 0 264.325 1.840 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000414656039 241303370 /nfs/dbraw/zinc/30/33/70/241303370.db2.gz MFFDRUWMFRVTIO-VIFPVBQESA-N 1 0 294.311 1.429 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C1CC([NH3+])C1 ZINC000414659054 241305263 /nfs/dbraw/zinc/30/52/63/241305263.db2.gz MMYHFEWRAITHLB-UHFFFAOYSA-N 1 0 278.312 1.857 20 5 CDBDRO C[C@]1(F)C[NH2+]CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000414765809 241376065 /nfs/dbraw/zinc/37/60/65/241376065.db2.gz GGFUGEQCRCXJAG-ZDUSSCGKSA-N 1 0 267.304 1.728 20 5 CDBDRO Cc1nc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ncc1[N+](=O)[O-] ZINC000297361150 367132318 /nfs/dbraw/zinc/13/23/18/367132318.db2.gz CBPFJQADDWBGFM-RYUDHWBXSA-N 1 0 291.355 1.614 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC1C[NH2+]C1 ZINC000415502759 241706891 /nfs/dbraw/zinc/70/68/91/241706891.db2.gz NUSXRXAFCNNHQW-UHFFFAOYSA-N 1 0 264.285 1.244 20 5 CDBDRO CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)C(C)(C)C[NH+]1CCCC1 ZINC000416332407 241956080 /nfs/dbraw/zinc/95/60/80/241956080.db2.gz GQBHVALEWNBKBF-UHFFFAOYSA-N 1 0 295.343 1.264 20 5 CDBDRO CCC[NH2+]CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417235683 242372173 /nfs/dbraw/zinc/37/21/73/242372173.db2.gz RYGCLNURMQDYJL-UHFFFAOYSA-N 1 0 294.355 1.436 20 5 CDBDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000272623020 367784233 /nfs/dbraw/zinc/78/42/33/367784233.db2.gz VABKVNGNVWJDCY-VHSXEESVSA-N 1 0 268.288 1.937 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418230261 242800610 /nfs/dbraw/zinc/80/06/10/242800610.db2.gz JAENBSWHTJDKPU-UWVGGRQHSA-N 1 0 280.328 1.692 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000089107085 368975270 /nfs/dbraw/zinc/97/52/70/368975270.db2.gz HUOMLEQXIFGXBD-RKDXNWHRSA-N 1 0 267.285 1.435 20 5 CDBDRO Cc1nn(C)c(NC[C@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420269878 244002302 /nfs/dbraw/zinc/00/23/02/244002302.db2.gz BUAFRFPJOBDAAW-VHSXEESVSA-N 1 0 267.333 1.566 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420287936 244029051 /nfs/dbraw/zinc/02/90/51/244029051.db2.gz GSTBSERABDHDGA-LLVKDONJSA-N 1 0 292.339 1.217 20 5 CDBDRO C[NH+](C)C1(CNc2c(C(N)=O)cccc2[N+](=O)[O-])CCC1 ZINC000420602218 244274445 /nfs/dbraw/zinc/27/44/45/244274445.db2.gz AVKUPPNJYYSQBJ-UHFFFAOYSA-N 1 0 292.339 1.590 20 5 CDBDRO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C1CCCC1 ZINC000330848265 203310179 /nfs/dbraw/zinc/31/01/79/203310179.db2.gz KWBQQXSTHPWWPT-SECBINFHSA-N 1 0 252.318 1.997 20 5 CDBDRO Cc1cc(C(=O)N2CCNC[C@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000295197929 369620438 /nfs/dbraw/zinc/62/04/38/369620438.db2.gz JVZSRPIGIVUVAO-AWEZNQCLSA-N 1 0 295.314 1.677 20 5 CDBDRO C[NH+](C)C1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000135638503 369720901 /nfs/dbraw/zinc/72/09/01/369720901.db2.gz WDBODSYKCKUCPO-VOTSOKGWSA-N 1 0 275.308 1.380 20 5 CDBDRO C[C@H]([NH2+]CCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000037740627 370038246 /nfs/dbraw/zinc/03/82/46/370038246.db2.gz DJPPQJPAPQSTGB-VIFPVBQESA-N 1 0 272.326 1.290 20 5 CDBDRO C[C@H](NC(=O)CCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000037766525 370079341 /nfs/dbraw/zinc/07/93/41/370079341.db2.gz DCEQVTANGNHRAE-VIFPVBQESA-N 1 0 251.286 1.511 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000389804588 370273208 /nfs/dbraw/zinc/27/32/08/370273208.db2.gz ZEERGBAZMVEWMU-PELKAZGASA-N 1 0 281.287 1.462 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000422707610 245165725 /nfs/dbraw/zinc/16/57/25/245165725.db2.gz HTFIEZPBFUKSHW-SNVBAGLBSA-N 1 0 293.323 1.427 20 5 CDBDRO C[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000414945664 371138005 /nfs/dbraw/zinc/13/80/05/371138005.db2.gz IOWHCYWCBMLCEY-ONGXEEELSA-N 1 0 267.304 1.964 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3CCCOC3)CC2)n1 ZINC000332484540 204741840 /nfs/dbraw/zinc/74/18/40/204741840.db2.gz XPIJJQXJYBQHAB-GFCCVEGCSA-N 1 0 294.355 1.855 20 5 CDBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001580436588 1172436771 /nfs/dbraw/zinc/43/67/71/1172436771.db2.gz FFBXKSCJQGULAN-ZYHUDNBSSA-N 1 0 278.312 1.177 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000298714259 373803492 /nfs/dbraw/zinc/80/34/92/373803492.db2.gz WOLKBNFZLBUPEO-SECBINFHSA-N 1 0 251.286 1.209 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368379451 373837014 /nfs/dbraw/zinc/83/70/14/373837014.db2.gz UVMFKJZFHGDIPS-CYBMUJFWSA-N 1 0 289.335 1.775 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000113513667 374261204 /nfs/dbraw/zinc/26/12/04/374261204.db2.gz PBTBFTKFOUTJGM-ZDUSSCGKSA-N 1 0 263.341 1.978 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](OCC3CC3)C2)n1 ZINC000368791505 374327343 /nfs/dbraw/zinc/32/73/43/374327343.db2.gz LAMHOXGDWZEKGU-CYBMUJFWSA-N 1 0 294.355 1.682 20 5 CDBDRO C[C@H]([NH2+]CC1(CC(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000421864312 374338227 /nfs/dbraw/zinc/33/82/27/374338227.db2.gz XQPINKLMUJYUNE-JTQLQIEISA-N 1 0 277.324 1.901 20 5 CDBDRO CC(C)[NH+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301848190 374348393 /nfs/dbraw/zinc/34/83/93/374348393.db2.gz VIVZVPYNGZCWEU-UHFFFAOYSA-N 1 0 290.327 1.168 20 5 CDBDRO CCC[NH2+][C@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000423817325 246114315 /nfs/dbraw/zinc/11/43/15/246114315.db2.gz YVMPJPRDPNGAPH-LLVKDONJSA-N 1 0 279.340 1.908 20 5 CDBDRO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423820474 246117156 /nfs/dbraw/zinc/11/71/56/246117156.db2.gz CAWPSXZSDWUCBQ-TVQRCGJNSA-N 1 0 292.339 1.248 20 5 CDBDRO O=C([C@H]1CC[NH2+]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423721620 374394402 /nfs/dbraw/zinc/39/44/02/374394402.db2.gz IWZRLNPBSADEPA-GFCCVEGCSA-N 1 0 275.308 1.448 20 5 CDBDRO C[C@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]C1 ZINC000423843552 246138675 /nfs/dbraw/zinc/13/86/75/246138675.db2.gz LAGFUVGAQGTTMA-ZDUSSCGKSA-N 1 0 297.742 1.864 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000070172297 374653829 /nfs/dbraw/zinc/65/38/29/374653829.db2.gz GGGZQYNMFZRDJM-JQWIXIFHSA-N 1 0 277.324 1.794 20 5 CDBDRO C[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000070176610 374655984 /nfs/dbraw/zinc/65/59/84/374655984.db2.gz SBMVKYQWVKCVIN-BXUZGUMPSA-N 1 0 291.351 1.723 20 5 CDBDRO CC[NH+](CC)[C@H](C)CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000296223821 374716263 /nfs/dbraw/zinc/71/62/63/374716263.db2.gz DOBGWFNBEBKBKT-SECBINFHSA-N 1 0 267.333 1.835 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)[NH+](C)C ZINC000277586732 374797285 /nfs/dbraw/zinc/79/72/85/374797285.db2.gz MQXKDWVZVFFWKN-VIFPVBQESA-N 1 0 281.312 1.283 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@@H](CO)C2)c(F)c1 ZINC000449428540 374810143 /nfs/dbraw/zinc/81/01/43/374810143.db2.gz RUKWSOAODWEYTO-KOLCDFICSA-N 1 0 268.288 1.985 20 5 CDBDRO COC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000278168375 374833616 /nfs/dbraw/zinc/83/36/16/374833616.db2.gz FJPPZXKQNBPKDF-SNVBAGLBSA-N 1 0 295.295 1.971 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000277411112 374786408 /nfs/dbraw/zinc/78/64/08/374786408.db2.gz HWEBJPFNBYCFPF-JTQLQIEISA-N 1 0 293.323 1.285 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(N3CCOCC3)CC2)c1 ZINC000277469881 374790215 /nfs/dbraw/zinc/79/02/15/374790215.db2.gz KAWIZQRZQDAYPC-UHFFFAOYSA-N 1 0 291.351 1.549 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000278416421 374843129 /nfs/dbraw/zinc/84/31/29/374843129.db2.gz BTXABAZBNHITSS-UHFFFAOYSA-N 1 0 289.335 1.895 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000332112200 375006363 /nfs/dbraw/zinc/00/63/63/375006363.db2.gz GLQCABUSNRAUDE-LBPRGKRZSA-N 1 0 293.371 1.389 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000161970261 375245139 /nfs/dbraw/zinc/24/51/39/375245139.db2.gz PQTIHOKFESWXIL-NEPJUHHUSA-N 1 0 277.324 1.523 20 5 CDBDRO CCN(CCC[NH+]1CCCC1)c1c([N+](=O)[O-])c(C)nn1C ZINC000350684532 375225075 /nfs/dbraw/zinc/22/50/75/375225075.db2.gz KADLWXOQUZESHS-UHFFFAOYSA-N 1 0 295.387 1.949 20 5 CDBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000056492609 375325669 /nfs/dbraw/zinc/32/56/69/375325669.db2.gz IKNBOBCYAKSNFG-CYBMUJFWSA-N 1 0 293.323 1.313 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCCC3)C2)nc1 ZINC000131675066 375312439 /nfs/dbraw/zinc/31/24/39/375312439.db2.gz CGZGNYJXFROFNN-GFCCVEGCSA-N 1 0 276.340 1.912 20 5 CDBDRO Cc1nc(N2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000226720311 375389642 /nfs/dbraw/zinc/38/96/42/375389642.db2.gz PXMHRVJNYPCZDL-WCBMZHEXSA-N 1 0 250.302 1.472 20 5 CDBDRO Cc1c(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000132003076 375392671 /nfs/dbraw/zinc/39/26/71/375392671.db2.gz VNPTVXWHYUQRBQ-ONGXEEELSA-N 1 0 277.324 1.713 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000351910456 375340672 /nfs/dbraw/zinc/34/06/72/375340672.db2.gz RZKNMHWGHDSFLD-ZWNOBZJWSA-N 1 0 277.324 1.866 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000162414727 375348099 /nfs/dbraw/zinc/34/80/99/375348099.db2.gz INJPDAJDELVXKD-QWRGUYRKSA-N 1 0 277.324 1.903 20 5 CDBDRO Cc1n[nH]c(C(=O)NCC2([NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000299458669 375360109 /nfs/dbraw/zinc/36/01/09/375360109.db2.gz XSVYXHIVNXXVQS-UHFFFAOYSA-N 1 0 295.343 1.231 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000132055093 375400755 /nfs/dbraw/zinc/40/07/55/375400755.db2.gz QCRJIIUUFGBLHQ-MNOVXSKESA-N 1 0 277.324 1.713 20 5 CDBDRO CC[N@H+](CCNc1cccnc1[N+](=O)[O-])C1CC1 ZINC000227549733 375559004 /nfs/dbraw/zinc/55/90/04/375559004.db2.gz GOAIXSJTJAITGX-UHFFFAOYSA-N 1 0 250.302 1.886 20 5 CDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC(O)C1 ZINC000353492844 375618941 /nfs/dbraw/zinc/61/89/41/375618941.db2.gz VSEBPUWYYNICSH-UHFFFAOYSA-N 1 0 266.297 1.429 20 5 CDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C1CC(O)C1 ZINC000353499387 375619174 /nfs/dbraw/zinc/61/91/74/375619174.db2.gz AJOVNDYVPCOALW-WHXUTIOJSA-N 1 0 293.323 1.377 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCN2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357086333 375884178 /nfs/dbraw/zinc/88/41/78/375884178.db2.gz UZKDORMDUDRVGR-CHWSQXEVSA-N 1 0 291.351 1.515 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000358299722 375960500 /nfs/dbraw/zinc/96/05/00/375960500.db2.gz FOTQPTOFMSPQPN-CYBMUJFWSA-N 1 0 265.313 1.382 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@H]1CCNC1=O ZINC000347361511 376010553 /nfs/dbraw/zinc/01/05/53/376010553.db2.gz PBABBDCPQSWQPJ-MSKHEQNASA-N 1 0 289.335 1.818 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000261763425 190043893 /nfs/dbraw/zinc/04/38/93/190043893.db2.gz OOBPLKBHGLTUNH-JTQLQIEISA-N 1 0 281.312 1.088 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262555064 190057614 /nfs/dbraw/zinc/05/76/14/190057614.db2.gz WVTNIPCFTQHZIU-UHFFFAOYSA-N 1 0 271.704 1.715 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000262611732 190058645 /nfs/dbraw/zinc/05/86/45/190058645.db2.gz XGPNUXYOKVZJMT-JTQLQIEISA-N 1 0 281.312 1.169 20 5 CDBDRO Cc1cc(C(=O)N2CC[NH2+][C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000262809853 190063689 /nfs/dbraw/zinc/06/36/89/190063689.db2.gz QYNHUCJXYWEYEK-GHMZBOCLSA-N 1 0 277.324 1.726 20 5 CDBDRO COc1ccc(C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262842799 190064171 /nfs/dbraw/zinc/06/41/71/190064171.db2.gz XPABOMLDOZRYQJ-VHSXEESVSA-N 1 0 293.323 1.426 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000262905878 190065067 /nfs/dbraw/zinc/06/50/67/190065067.db2.gz YCZMVOOBOROQFH-GWCFXTLKSA-N 1 0 293.323 1.088 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000574630374 295029282 /nfs/dbraw/zinc/02/92/82/295029282.db2.gz OHOYMBSKJHOKAN-VHSXEESVSA-N 1 0 281.312 1.073 20 5 CDBDRO Cc1ccc(C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262735297 190061855 /nfs/dbraw/zinc/06/18/55/190061855.db2.gz CHLLICAQVAZUHA-QWRGUYRKSA-N 1 0 277.324 1.726 20 5 CDBDRO CCc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000262778978 190062467 /nfs/dbraw/zinc/06/24/67/190062467.db2.gz LZZJQQBWFOYLPP-GXFFZTMASA-N 1 0 291.351 1.885 20 5 CDBDRO COCCN1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000264593350 190121128 /nfs/dbraw/zinc/12/11/28/190121128.db2.gz MBPSLPLUBIKIOM-NSHDSACASA-N 1 0 285.369 1.467 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](O)C23CCCC3)c1 ZINC000433295789 248019585 /nfs/dbraw/zinc/01/95/85/248019585.db2.gz FSXKEBNQASXCBQ-GFCCVEGCSA-N 1 0 280.328 1.171 20 5 CDBDRO C[C@H]1[NH2+]CCN(CCOc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000436061295 248220151 /nfs/dbraw/zinc/22/01/51/248220151.db2.gz HARJBNDMPZDPOO-VXGBXAGGSA-N 1 0 279.340 1.656 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000189311580 377229366 /nfs/dbraw/zinc/22/93/66/377229366.db2.gz AGJPGIMCDNRNEJ-MFKMUULPSA-N 1 0 277.324 1.774 20 5 CDBDRO CC[N@H+](C)CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000264886973 190141976 /nfs/dbraw/zinc/14/19/76/190141976.db2.gz JASVCHRBLHJIOW-UHFFFAOYSA-N 1 0 294.355 1.465 20 5 CDBDRO Cc1sc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000172210159 377358698 /nfs/dbraw/zinc/35/86/98/377358698.db2.gz FUTOJTJRJUJGHE-JTQLQIEISA-N 1 0 297.380 1.988 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)C1CC1 ZINC000265102648 190158476 /nfs/dbraw/zinc/15/84/76/190158476.db2.gz TWBWTAANNRZKSL-ZDUSSCGKSA-N 1 0 280.324 1.854 20 5 CDBDRO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000172794377 377760437 /nfs/dbraw/zinc/76/04/37/377760437.db2.gz ISXPIQDBUBUJNL-UHFFFAOYSA-N 1 0 291.351 1.690 20 5 CDBDRO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173306661 378122752 /nfs/dbraw/zinc/12/27/52/378122752.db2.gz GWHUKJYKIJSBCQ-QWHCGFSZSA-N 1 0 293.367 1.966 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000268958577 190455543 /nfs/dbraw/zinc/45/55/43/190455543.db2.gz ZFMNDCONIBGOSS-SNVBAGLBSA-N 1 0 265.313 1.252 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000449640364 250946482 /nfs/dbraw/zinc/94/64/82/250946482.db2.gz SBQVVYUKRITSPP-MNOVXSKESA-N 1 0 292.339 1.546 20 5 CDBDRO CO[C@@H]1C[NH+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1OC ZINC000488069562 252924799 /nfs/dbraw/zinc/92/47/99/252924799.db2.gz FGPQSTLUWIGLBS-ZIAGYGMSSA-N 1 0 296.323 1.319 20 5 CDBDRO C[NH+](C)C1(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000493817042 253564455 /nfs/dbraw/zinc/56/44/55/253564455.db2.gz HKAIRYKYSNNOPC-VMPITWQZSA-N 1 0 289.335 1.818 20 5 CDBDRO COC(=O)c1cnc(SCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000189345762 140114245 /nfs/dbraw/zinc/11/42/45/140114245.db2.gz GGMJOJGQKJUHMI-UHFFFAOYSA-N 1 0 285.325 1.430 20 5 CDBDRO CC[N@@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000286507812 390383697 /nfs/dbraw/zinc/38/36/97/390383697.db2.gz YSJYGKCWXLUIBA-VIFPVBQESA-N 1 0 295.368 1.834 20 5 CDBDRO CC[C@H](C)[NH+]1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000450853862 390564483 /nfs/dbraw/zinc/56/44/83/390564483.db2.gz CKHIZJHTSKETRU-JTQLQIEISA-N 1 0 281.360 1.557 20 5 CDBDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000451484680 390626903 /nfs/dbraw/zinc/62/69/03/390626903.db2.gz HJATYIHVGNTVMQ-GWCFXTLKSA-N 1 0 282.344 1.622 20 5 CDBDRO CO[C@@H]1C[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000451513786 390628724 /nfs/dbraw/zinc/62/87/24/390628724.db2.gz YWDYGKZJEPQCPX-VHSXEESVSA-N 1 0 268.317 1.194 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000338721973 390667266 /nfs/dbraw/zinc/66/72/66/390667266.db2.gz BROMGEMZXRQXOJ-KBPBESRZSA-N 1 0 293.323 1.123 20 5 CDBDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000362505860 390838492 /nfs/dbraw/zinc/83/84/92/390838492.db2.gz PFZKSYNYYKBNGN-GXFFZTMASA-N 1 0 289.335 1.682 20 5 CDBDRO COc1ccc(OCCN2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430918710 390942374 /nfs/dbraw/zinc/94/23/74/390942374.db2.gz NZEKEPYMTJIRJG-NSHDSACASA-N 1 0 295.339 1.263 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CO)C1 ZINC000266912591 391054944 /nfs/dbraw/zinc/05/49/44/391054944.db2.gz JKJCRVVBIRGSQK-GHMZBOCLSA-N 1 0 250.298 1.970 20 5 CDBDRO CN(C)C(=O)CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000517478533 391146477 /nfs/dbraw/zinc/14/64/77/391146477.db2.gz BYVQERBMJHETBZ-UHFFFAOYSA-N 1 0 279.340 1.895 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000430218013 391228898 /nfs/dbraw/zinc/22/88/98/391228898.db2.gz IHYNWKXPWOYNMX-CABZTGNLSA-N 1 0 266.297 1.559 20 5 CDBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000345545138 391230235 /nfs/dbraw/zinc/23/02/35/391230235.db2.gz SKGKNRGXJFHCBZ-JTQLQIEISA-N 1 0 297.359 1.179 20 5 CDBDRO Cc1c(CNC(=O)CC2([NH3+])CCC2)cccc1[N+](=O)[O-] ZINC000231856366 391293202 /nfs/dbraw/zinc/29/32/02/391293202.db2.gz NNUYYJGTXYMBHS-UHFFFAOYSA-N 1 0 277.324 1.791 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000121818625 391423115 /nfs/dbraw/zinc/42/31/15/391423115.db2.gz LIRDCIFGYPEJCR-BDAKNGLRSA-N 1 0 251.286 1.428 20 5 CDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415629376 391469607 /nfs/dbraw/zinc/46/96/07/391469607.db2.gz HXRNBVVWVRZWIB-DTORHVGOSA-N 1 0 294.286 1.417 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH2+]C(C)(C)C1 ZINC000212733241 391496652 /nfs/dbraw/zinc/49/66/52/391496652.db2.gz WBZSABREJUJPIQ-UHFFFAOYSA-N 1 0 267.333 1.308 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000192461344 140141202 /nfs/dbraw/zinc/14/12/02/140141202.db2.gz OQWQKHNGNGSXCO-SNVBAGLBSA-N 1 0 282.369 1.973 20 5 CDBDRO COCC[C@H](CO)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000343629276 391636032 /nfs/dbraw/zinc/63/60/32/391636032.db2.gz YBLUFCBXJZUUIB-TZMCWYRMSA-N 1 0 296.367 1.903 20 5 CDBDRO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304283994 130063341 /nfs/dbraw/zinc/06/33/41/130063341.db2.gz FFUOBTHFXTWIBW-LOWVWBTDSA-N 1 0 282.344 1.130 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000238047991 391861501 /nfs/dbraw/zinc/86/15/01/391861501.db2.gz IRCVPUSQADILNK-SECBINFHSA-N 1 0 289.295 1.034 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357043533 391937093 /nfs/dbraw/zinc/93/70/93/391937093.db2.gz GMHZJUMUNDLYBG-GXTWGEPZSA-N 1 0 275.352 1.945 20 5 CDBDRO Cc1cnc(N2CC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000228165200 391892510 /nfs/dbraw/zinc/89/25/10/391892510.db2.gz WFEUESCFOZIRKI-UWVGGRQHSA-N 1 0 250.302 1.472 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C(F)F ZINC000449176777 392017559 /nfs/dbraw/zinc/01/75/59/392017559.db2.gz ULLKKZMGNZZAAP-LDYMZIIASA-N 1 0 274.267 1.741 20 5 CDBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])c(C)n1 ZINC000297418926 392897929 /nfs/dbraw/zinc/89/79/29/392897929.db2.gz HAVGIXQGNBJJDN-NWDGAFQWSA-N 1 0 291.355 1.756 20 5 CDBDRO [NH3+][C@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000420172177 392899937 /nfs/dbraw/zinc/89/99/37/392899937.db2.gz OWZKUOVKLTZGLK-VIFPVBQESA-N 1 0 258.281 1.680 20 5 CDBDRO C[NH2+]CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417140653 392868415 /nfs/dbraw/zinc/86/84/15/392868415.db2.gz QDRGACOEEKKTTL-VIFPVBQESA-N 1 0 266.301 1.174 20 5 CDBDRO [NH3+][C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000417950098 392875856 /nfs/dbraw/zinc/87/58/56/392875856.db2.gz VPWONGDIVJUBLM-CYBMUJFWSA-N 1 0 292.339 1.174 20 5 CDBDRO C[C@H](NC(=O)N1C[C@@H](C)[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000418226238 392879135 /nfs/dbraw/zinc/87/91/35/392879135.db2.gz AUEVQGUDGFPGAZ-GBIKHYSHSA-N 1 0 292.339 1.644 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](C)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420644670 392920704 /nfs/dbraw/zinc/92/07/04/392920704.db2.gz XIRDAJLFUXPZPQ-JTQLQIEISA-N 1 0 294.355 1.834 20 5 CDBDRO COC[C@@](C)([NH3+])CNc1nc(C)ccc1[N+](=O)[O-] ZINC000268837204 132074718 /nfs/dbraw/zinc/07/47/18/132074718.db2.gz UWCUBHRVUJDMCY-NSHDSACASA-N 1 0 254.290 1.074 20 5 CDBDRO Cc1c(CN[C@@H]2C[NH2+]CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000423079923 392958558 /nfs/dbraw/zinc/95/85/58/392958558.db2.gz RMQTUQGPEBUTTO-ZWNOBZJWSA-N 1 0 263.341 1.991 20 5 CDBDRO [NH3+][C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CCC1 ZINC000423180169 392959421 /nfs/dbraw/zinc/95/94/21/392959421.db2.gz IIINJQDBEQOMRE-CQSZACIVSA-N 1 0 289.335 1.607 20 5 CDBDRO C[N@@H+]1CC[C@H](C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000527183756 392975162 /nfs/dbraw/zinc/97/51/62/392975162.db2.gz UZZRBHRWKDJCHJ-LBPRGKRZSA-N 1 0 277.324 1.205 20 5 CDBDRO CC[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000532494453 393074743 /nfs/dbraw/zinc/07/47/43/393074743.db2.gz CKKYYXOHXJKOCA-ZDUSSCGKSA-N 1 0 295.339 1.430 20 5 CDBDRO COC[C@](C)(O)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000532500350 393075210 /nfs/dbraw/zinc/07/52/10/393075210.db2.gz PXLMXXWLMUCQKS-IUODEOHRSA-N 1 0 296.367 1.903 20 5 CDBDRO C[NH2+]C[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000430951549 393107822 /nfs/dbraw/zinc/10/78/22/393107822.db2.gz MEKKXVUJBXGVKD-GFCCVEGCSA-N 1 0 279.340 1.515 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000449636971 393137754 /nfs/dbraw/zinc/13/77/54/393137754.db2.gz FPZAVUZLNQOFAO-CMPLNLGQSA-N 1 0 277.324 1.842 20 5 CDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000449706449 393140034 /nfs/dbraw/zinc/14/00/34/393140034.db2.gz NIAIFJLDQDXARV-LLVKDONJSA-N 1 0 292.339 1.295 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)C[C@H]2C1 ZINC000278836649 393143178 /nfs/dbraw/zinc/14/31/78/393143178.db2.gz VRUFDTIEYRNXCW-DTORHVGOSA-N 1 0 282.731 1.641 20 5 CDBDRO [NH3+]C[C@@H](Nc1ncc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000130878433 139830962 /nfs/dbraw/zinc/83/09/62/139830962.db2.gz DQOCDZJBNMKGBZ-LLVKDONJSA-N 1 0 265.317 1.704 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H]([NH3+])C2CC2)cc([N+](=O)[O-])c1 ZINC000135569542 139887816 /nfs/dbraw/zinc/88/78/16/139887816.db2.gz WTWYRXXFVQBWBI-GFCCVEGCSA-N 1 0 263.297 1.370 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000229590476 140202599 /nfs/dbraw/zinc/20/25/99/140202599.db2.gz HTZYTSMAWIATAK-JOYOIKCWSA-N 1 0 278.312 1.857 20 5 CDBDRO [NH3+]C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000230064288 140207212 /nfs/dbraw/zinc/20/72/12/140207212.db2.gz NLEIMFPRLMBVTJ-UHFFFAOYSA-N 1 0 263.297 1.135 20 5 CDBDRO Cc1c(CNC(=O)[C@]2(C)CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000231856785 140220166 /nfs/dbraw/zinc/22/01/66/140220166.db2.gz XZEKUCDMMHGMFD-OAHLLOKOSA-N 1 0 291.351 1.909 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000261546498 140344715 /nfs/dbraw/zinc/34/47/15/140344715.db2.gz ZUYYFGBNXUYVFV-QMMMGPOBSA-N 1 0 271.342 1.760 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000261576730 140353700 /nfs/dbraw/zinc/35/37/00/140353700.db2.gz NWEWSWMEFFAYOO-NSHDSACASA-N 1 0 269.326 1.467 20 5 CDBDRO Cc1cc(N2CC[C@@](C)(C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000261589287 140357983 /nfs/dbraw/zinc/35/79/83/140357983.db2.gz WFZZOPXIOKQNGA-LBPRGKRZSA-N 1 0 250.302 1.473 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000261587816 140358167 /nfs/dbraw/zinc/35/81/67/140358167.db2.gz JRIQCIGOKWWULX-CABZTGNLSA-N 1 0 263.297 1.085 20 5 CDBDRO COCC1(CNc2ncc([N+](=O)[O-])s2)CC[NH2+]CC1 ZINC000261627655 140365644 /nfs/dbraw/zinc/36/56/44/140365644.db2.gz VNXXAQJEWRPFIM-UHFFFAOYSA-N 1 0 286.357 1.479 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000261694105 140376756 /nfs/dbraw/zinc/37/67/56/140376756.db2.gz HSSRKZMTYMTBLD-ONGXEEELSA-N 1 0 281.360 1.920 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000261864051 140399764 /nfs/dbraw/zinc/39/97/64/140399764.db2.gz RNIJZNRYNHMQMO-YUMQZZPRSA-N 1 0 296.302 1.125 20 5 CDBDRO [NH3+]CC1(CC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000423224958 397603053 /nfs/dbraw/zinc/60/30/53/397603053.db2.gz KSHDGXKBOCOLFT-UHFFFAOYSA-N 1 0 277.324 1.383 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000285858366 397734699 /nfs/dbraw/zinc/73/46/99/397734699.db2.gz AXPXZKKSALTLRC-AWEZNQCLSA-N 1 0 290.323 1.003 20 5 CDBDRO C[NH+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000153439249 289168905 /nfs/dbraw/zinc/16/89/05/289168905.db2.gz NWVXGWRDAAVVEU-UHFFFAOYSA-N 1 0 263.297 1.041 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000168703147 147761940 /nfs/dbraw/zinc/76/19/40/147761940.db2.gz XOEVYMLHSGLUCT-WDEREUQCSA-N 1 0 277.324 1.713 20 5 CDBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+](C)C ZINC000184642081 148359474 /nfs/dbraw/zinc/35/94/74/148359474.db2.gz KVACJHALCOURHH-ZDUSSCGKSA-N 1 0 293.367 1.841 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[NH2+]C1 ZINC000262226778 149036819 /nfs/dbraw/zinc/03/68/19/149036819.db2.gz VAHWOXCLMSQAIS-LLVKDONJSA-N 1 0 265.313 1.445 20 5 CDBDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000312618908 149236205 /nfs/dbraw/zinc/23/62/05/149236205.db2.gz WGPPVPNWAVBUGY-ZANVPECISA-N 1 0 284.287 1.363 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c(F)c1 ZINC000313583799 149244664 /nfs/dbraw/zinc/24/46/64/149244664.db2.gz YCSKJDJJTWLGJF-DUFXMDAXSA-N 1 0 280.299 1.937 20 5 CDBDRO CCc1nn(C)c(N[C@H](C)CCCC[NH3+])c1[N+](=O)[O-] ZINC000336815890 151722196 /nfs/dbraw/zinc/72/21/96/151722196.db2.gz JNTYZVGZQDMOTC-SECBINFHSA-N 1 0 269.349 1.820 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000343249028 152084632 /nfs/dbraw/zinc/08/46/32/152084632.db2.gz BWWYAJCXDCBNJH-ZJUUUORDSA-N 1 0 278.312 1.280 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000261657192 292288114 /nfs/dbraw/zinc/28/81/14/292288114.db2.gz KFWJACIWWJBCCE-CYBMUJFWSA-N 1 0 290.367 1.387 20 5 CDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCOC1 ZINC000348263738 153838588 /nfs/dbraw/zinc/83/85/88/153838588.db2.gz UWTDZHSOGFTHBY-NEPJUHHUSA-N 1 0 295.339 1.161 20 5 CDBDRO C=Cn1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cn1 ZINC000348925762 154007630 /nfs/dbraw/zinc/00/76/30/154007630.db2.gz XZRWDPGFCNOOAF-UHFFFAOYSA-N 1 0 287.323 1.857 20 5 CDBDRO COC1CCC([N@H+](C)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000350081814 154322303 /nfs/dbraw/zinc/32/23/03/154322303.db2.gz PTIRQMNTKGCFOM-UHFFFAOYSA-N 1 0 282.344 1.681 20 5 CDBDRO CC[N@H+](C[C@@H](C)O)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000352213260 155027180 /nfs/dbraw/zinc/02/71/80/155027180.db2.gz UCTLAUVVMFZUNQ-NEPJUHHUSA-N 1 0 298.339 1.037 20 5 CDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC2CC[NH2+]CC2)cc1 ZINC000311375211 289424271 /nfs/dbraw/zinc/42/42/71/289424271.db2.gz SZIIBETXEKELRM-UHFFFAOYSA-N 1 0 284.337 1.368 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000359290758 158201642 /nfs/dbraw/zinc/20/16/42/158201642.db2.gz MOOSMCWTQCAFJC-GFCCVEGCSA-N 1 0 293.367 1.984 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CCO)C2CCOCC2)c1 ZINC000359576515 158293754 /nfs/dbraw/zinc/29/37/54/158293754.db2.gz OJLHMQCRFMTLKU-HNNXBMFYSA-N 1 0 294.351 1.862 20 5 CDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000362524310 159169274 /nfs/dbraw/zinc/16/92/74/159169274.db2.gz MTIGOAXOWRFKFG-NSHDSACASA-N 1 0 294.355 1.490 20 5 CDBDRO CCOc1cc(N2C[C@H]3C[NH+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000362683742 159212962 /nfs/dbraw/zinc/21/29/62/159212962.db2.gz MJAMCAMLHXVWSB-VXGBXAGGSA-N 1 0 291.351 1.991 20 5 CDBDRO C[C@@H](NC[C@@H](O)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000305119448 287031232 /nfs/dbraw/zinc/03/12/32/287031232.db2.gz JBWQGRZLTJGYPC-ZWNOBZJWSA-N 1 0 267.329 1.168 20 5 CDBDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285268108 196237766 /nfs/dbraw/zinc/23/77/66/196237766.db2.gz QRNMHKJTWCKDHR-HJIKLVIJSA-N 1 0 279.340 1.987 20 5 CDBDRO C[C@@H]([NH2+]CC(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000037225225 173045871 /nfs/dbraw/zinc/04/58/71/173045871.db2.gz YBYZLIHTQODIAI-SECBINFHSA-N 1 0 251.286 1.334 20 5 CDBDRO CCc1ccc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423948357 414145827 /nfs/dbraw/zinc/14/58/27/414145827.db2.gz LRJBZDHPMPJOBH-AWEZNQCLSA-N 1 0 291.351 1.967 20 5 CDBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000040676171 174373854 /nfs/dbraw/zinc/37/38/54/174373854.db2.gz FBLKIEAALQEKQV-LBPRGKRZSA-N 1 0 291.351 1.738 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000044286138 175159345 /nfs/dbraw/zinc/15/93/45/175159345.db2.gz SQKHEKARRYLMNO-SNVBAGLBSA-N 1 0 283.353 1.870 20 5 CDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000044492250 175181117 /nfs/dbraw/zinc/18/11/17/175181117.db2.gz YEYMZHIMYGMUIF-NSHDSACASA-N 1 0 263.297 1.467 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCN(C3CC3)C2)c1 ZINC000044685241 175231140 /nfs/dbraw/zinc/23/11/40/175231140.db2.gz NCCXXPYLBLXXLX-LBPRGKRZSA-N 1 0 261.325 1.921 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000071143344 176040809 /nfs/dbraw/zinc/04/08/09/176040809.db2.gz YOTMVRWTNZXRGN-NSHDSACASA-N 1 0 277.324 1.585 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000071301658 176113860 /nfs/dbraw/zinc/11/38/60/176113860.db2.gz AJPXZONVCBVAJE-ZDUSSCGKSA-N 1 0 250.298 1.764 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)C(C)C ZINC000078686429 177371582 /nfs/dbraw/zinc/37/15/82/177371582.db2.gz RXZYWVWVYYHNLW-UHFFFAOYSA-N 1 0 295.339 1.544 20 5 CDBDRO C[C@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000417932936 227223475 /nfs/dbraw/zinc/22/34/75/227223475.db2.gz DGPWMWLWJCNKPS-NSHDSACASA-N 1 0 292.339 1.141 20 5 CDBDRO CCOc1ccc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000516928196 260292463 /nfs/dbraw/zinc/29/24/63/260292463.db2.gz KUNROIFVBWHXFS-ZJUUUORDSA-N 1 0 295.339 1.849 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000213321547 261214306 /nfs/dbraw/zinc/21/43/06/261214306.db2.gz RFUJMMANPJQGND-UJYKQDJBSA-N 1 0 275.308 1.462 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCO)C1CCCCC1 ZINC000049855408 424450176 /nfs/dbraw/zinc/45/01/76/424450176.db2.gz GYNKVMVUFCKDBL-UHFFFAOYSA-N 1 0 296.371 1.727 20 5 CDBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H]1C[NH3+] ZINC000397285926 270348269 /nfs/dbraw/zinc/34/82/69/270348269.db2.gz UUJXSEQJLUPLHB-VWYCJHECSA-N 1 0 294.355 1.379 20 5 CDBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1C[NH3+] ZINC000397419687 270350295 /nfs/dbraw/zinc/35/02/95/270350295.db2.gz YWTOWMSKTRKLHE-OPRDCNLKSA-N 1 0 281.312 1.633 20 5 CDBDRO C[NH+](C)C1CN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413213733 273793011 /nfs/dbraw/zinc/79/30/11/273793011.db2.gz JZLZUPLGTUDNCD-UHFFFAOYSA-N 1 0 272.308 1.893 20 5 CDBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000362505862 274338475 /nfs/dbraw/zinc/33/84/75/274338475.db2.gz PFZKSYNYYKBNGN-ZWNOBZJWSA-N 1 0 289.335 1.682 20 5 CDBDRO Cc1nc(N2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000268498449 274841430 /nfs/dbraw/zinc/84/14/30/274841430.db2.gz PSMOVDHPQLAXLY-UHFFFAOYSA-N 1 0 276.340 1.973 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[NH2+]CC2)c(Br)c1 ZINC000036245114 275041092 /nfs/dbraw/zinc/04/10/92/275041092.db2.gz OSQUTVIVKAKFCN-UHFFFAOYSA-N 1 0 287.117 1.162 20 5 CDBDRO CC(C)(O)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331340600 275555453 /nfs/dbraw/zinc/55/54/53/275555453.db2.gz NDLLBMNMXZIKSF-MNOVXSKESA-N 1 0 282.344 1.636 20 5 CDBDRO CC[NH2+]CCN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423235842 276266828 /nfs/dbraw/zinc/26/68/28/276266828.db2.gz BLIFJWMSVHRWFY-NWDGAFQWSA-N 1 0 281.360 1.474 20 5 CDBDRO C[NH2+]CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000237095159 277024899 /nfs/dbraw/zinc/02/48/99/277024899.db2.gz WELGIDWXYXHLOS-UHFFFAOYSA-N 1 0 279.340 1.842 20 5 CDBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000174691266 277215061 /nfs/dbraw/zinc/21/50/61/277215061.db2.gz NQNGXLJRIGSSFG-GXTWGEPZSA-N 1 0 289.335 1.904 20 5 CDBDRO C[NH2+]CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269152981 277272388 /nfs/dbraw/zinc/27/23/88/277272388.db2.gz QMLCQWVAOCUZEL-UHFFFAOYSA-N 1 0 263.253 1.290 20 5 CDBDRO C[NH2+][C@@H](C)CN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423393353 277294037 /nfs/dbraw/zinc/29/40/37/277294037.db2.gz PCBWSEICUVDGHB-QWRGUYRKSA-N 1 0 251.330 1.723 20 5 CDBDRO COc1cccc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000450778648 278017043 /nfs/dbraw/zinc/01/70/43/278017043.db2.gz LZEGWCLVUGZJDE-CMPLNLGQSA-N 1 0 277.324 1.744 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000104215683 278250316 /nfs/dbraw/zinc/25/03/16/278250316.db2.gz VKYRYMFMWBCMBG-LURJTMIESA-N 1 0 257.677 1.325 20 5 CDBDRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000037783003 278251228 /nfs/dbraw/zinc/25/12/28/278251228.db2.gz NCAJNMGEUWGURN-NSHDSACASA-N 1 0 277.324 1.695 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000449582992 278311080 /nfs/dbraw/zinc/31/10/80/278311080.db2.gz AZRXUAVYIKFEOO-RNFRBKRXSA-N 1 0 271.704 1.714 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000216224276 278475125 /nfs/dbraw/zinc/47/51/25/278475125.db2.gz FVDQUZMVKYZXIT-YUMQZZPRSA-N 1 0 270.720 1.817 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000261627114 278570806 /nfs/dbraw/zinc/57/08/06/278570806.db2.gz HHPQGESYRCCWNV-JRKPZEMJSA-N 1 0 295.314 1.850 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000353962127 279119651 /nfs/dbraw/zinc/11/96/51/279119651.db2.gz YBWUOFGHDUONPN-MRVPVSSYSA-N 1 0 283.332 1.086 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCCN1CCC[NH2+]CC1 ZINC000071978881 279209881 /nfs/dbraw/zinc/20/98/81/279209881.db2.gz HMIDCTGLXXXCBF-UHFFFAOYSA-N 1 0 265.313 1.269 20 5 CDBDRO C[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000134258978 279345275 /nfs/dbraw/zinc/34/52/75/279345275.db2.gz KWTPZUDLZQQZSH-SECBINFHSA-N 1 0 295.314 1.946 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000211369204 280085212 /nfs/dbraw/zinc/08/52/12/280085212.db2.gz CCFZKFNAMNNYNF-YXZYKRAASA-N 1 0 289.335 1.804 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C[C@H](C)O)[C@H](C)CO ZINC000248889879 280391291 /nfs/dbraw/zinc/39/12/91/280391291.db2.gz FPVMGGDKKQDSJX-MNOVXSKESA-N 1 0 298.339 1.167 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186536788 281020418 /nfs/dbraw/zinc/02/04/18/281020418.db2.gz HUISSQNJXJAUKL-WXHSDQCUSA-N 1 0 280.324 1.392 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000070174849 289793107 /nfs/dbraw/zinc/79/31/07/289793107.db2.gz QNOKQAQDTDEABK-UWVGGRQHSA-N 1 0 250.302 1.553 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000568739507 294090868 /nfs/dbraw/zinc/09/08/68/294090868.db2.gz LLMYLFYBYUZVDK-NEPJUHHUSA-N 1 0 293.371 1.435 20 5 CDBDRO O=c1ccn(CC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000569219922 294176202 /nfs/dbraw/zinc/17/62/02/294176202.db2.gz ABOYICUOJSAVHS-SNVBAGLBSA-N 1 0 251.286 1.146 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000571167608 294381689 /nfs/dbraw/zinc/38/16/89/294381689.db2.gz RTMAWORCLAJSKH-ZJUUUORDSA-N 1 0 295.339 1.849 20 5 CDBDRO CN1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000572497411 294635696 /nfs/dbraw/zinc/63/56/96/294635696.db2.gz OHAKCKZJUBBUQI-OLZOCXBDSA-N 1 0 289.335 1.793 20 5 CDBDRO CO[C@@]1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCOC1 ZINC000573814179 294893249 /nfs/dbraw/zinc/89/32/49/294893249.db2.gz CAYRJPZKSOFJAQ-DZGCQCFKSA-N 1 0 292.335 1.977 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000135211205 295302409 /nfs/dbraw/zinc/30/24/09/295302409.db2.gz XVSJIYPMZWFNCD-SECBINFHSA-N 1 0 267.260 1.297 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCSC2)c1 ZINC000563806108 316372989 /nfs/dbraw/zinc/37/29/89/316372989.db2.gz OBLZSPWNWMTDFV-CMPLNLGQSA-N 1 0 298.364 1.430 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000577073197 317261625 /nfs/dbraw/zinc/26/16/25/317261625.db2.gz MMAQFIQKOHAHGG-RYUDHWBXSA-N 1 0 279.340 1.785 20 5 CDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000389671722 323808244 /nfs/dbraw/zinc/80/82/44/323808244.db2.gz FHSCHHOZDRAFQP-VIFPVBQESA-N 1 0 283.353 1.774 20 5 CDBDRO COc1ccc(CC(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000579955527 324326447 /nfs/dbraw/zinc/32/64/47/324326447.db2.gz TYIMMJMTPBHZQS-UWVGGRQHSA-N 1 0 295.339 1.388 20 5 CDBDRO C[N@H+](CC[C@@H]1CCCO1)CCn1ccc([N+](=O)[O-])n1 ZINC000342603694 482490960 /nfs/dbraw/zinc/49/09/60/482490960.db2.gz LZURKTDEQVWYCA-NSHDSACASA-N 1 0 268.317 1.292 20 5 CDBDRO COc1cccc(-n2ccnc2C(N)=[NH2+])c1[N+](=O)[O-] ZINC001168416300 1161034983 /nfs/dbraw/zinc/03/49/83/1161034983.db2.gz TXRQIKYHNTUEKM-UHFFFAOYSA-N 1 0 261.241 1.073 20 5 CDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843109017 1161408898 /nfs/dbraw/zinc/40/88/98/1161408898.db2.gz QPCWZLMIXMIUIK-FRRDWIJNSA-N 1 0 280.324 1.377 20 5 CDBDRO CCCNC(=O)[C@@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338384817 519887110 /nfs/dbraw/zinc/88/71/10/519887110.db2.gz ZPLQFFGBFPHXKE-GFCCVEGCSA-N 1 0 293.367 1.984 20 5 CDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC1CC[NH2+]CC1 ZINC000417932394 534471769 /nfs/dbraw/zinc/47/17/69/534471769.db2.gz DABHKLTWTWPUPR-UHFFFAOYSA-N 1 0 292.339 1.189 20 5 CDBDRO CCCc1n[nH]c(C(=O)NCC([NH3+])(CC)CC)c1[N+](=O)[O-] ZINC000236858240 521326271 /nfs/dbraw/zinc/32/62/71/521326271.db2.gz WRSMWOJRQZWICY-UHFFFAOYSA-N 1 0 297.359 1.518 20 5 CDBDRO COCC[NH2+]CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000234668954 523939085 /nfs/dbraw/zinc/93/90/85/523939085.db2.gz MVABFTHCTZXTOQ-UHFFFAOYSA-N 1 0 275.255 1.521 20 5 CDBDRO Cc1cc(F)cc(C(=O)NC[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000237658981 524936333 /nfs/dbraw/zinc/93/63/33/524936333.db2.gz DEGOHJJUUWQNHC-JTQLQIEISA-N 1 0 295.314 1.772 20 5 CDBDRO C[C@@H](NC(=O)CCCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000070202288 525085907 /nfs/dbraw/zinc/08/59/07/525085907.db2.gz IWBFKBUTZDEKMI-SNVBAGLBSA-N 1 0 265.313 1.901 20 5 CDBDRO C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000245468014 525448477 /nfs/dbraw/zinc/44/84/77/525448477.db2.gz STJIMPVXQHVUOG-QWHCGFSZSA-N 1 0 293.367 1.966 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]([NH3+])CC(C)C ZINC000353434629 525460954 /nfs/dbraw/zinc/46/09/54/525460954.db2.gz CNKDQWOQYWNVEZ-LBPRGKRZSA-N 1 0 295.339 1.593 20 5 CDBDRO O=C(C[NH2+]CC1CC1)NCc1ccccc1[N+](=O)[O-] ZINC000050015896 526879876 /nfs/dbraw/zinc/87/98/76/526879876.db2.gz ACUDFIVPNLIQOC-UHFFFAOYSA-N 1 0 263.297 1.211 20 5 CDBDRO [NH3+]CCc1nccn1-c1ccc([N+](=O)[O-])c2cnccc21 ZINC000052304524 527198817 /nfs/dbraw/zinc/19/88/17/527198817.db2.gz PCFLGKHNKUICNG-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000418081428 528411698 /nfs/dbraw/zinc/41/16/98/528411698.db2.gz ODBJECIQXIKCCE-SNVBAGLBSA-N 1 0 294.355 1.700 20 5 CDBDRO CC(C)(NC(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000418390167 535227240 /nfs/dbraw/zinc/22/72/40/535227240.db2.gz UJPRSEKUJFVIJQ-SNVBAGLBSA-N 1 0 292.339 1.491 20 5 CDBDRO CCc1n[nH]c(C(=O)N[C@H](C[NH+](C)C)C(C)C)c1[N+](=O)[O-] ZINC000767922482 576239028 /nfs/dbraw/zinc/23/90/28/576239028.db2.gz PXCLRBHVYNOLRA-SNVBAGLBSA-N 1 0 297.359 1.196 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](CCO)C2CC2)cc1 ZINC000771794752 575611396 /nfs/dbraw/zinc/61/13/96/575611396.db2.gz IJZQRZLEMOEEGS-UONOGXRCSA-N 1 0 280.324 1.379 20 5 CDBDRO CC(C)[N@H+](C)CC1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000738088690 576037743 /nfs/dbraw/zinc/03/77/43/576037743.db2.gz FWCHXEVYYUEQMD-UHFFFAOYSA-N 1 0 295.387 1.801 20 5 CDBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000890885889 617345491 /nfs/dbraw/zinc/34/54/91/617345491.db2.gz KGSHQDAYLFVDPD-UHFFFAOYSA-N 1 0 296.371 1.593 20 5 CDBDRO C[NH+](C)CCNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC000891416982 617387920 /nfs/dbraw/zinc/38/79/20/617387920.db2.gz PRAQTFJFWBLBPV-UHFFFAOYSA-N 1 0 278.287 1.678 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1OC ZINC000891461282 617422443 /nfs/dbraw/zinc/42/24/43/617422443.db2.gz VBKPWGSWQKHMHM-SNVBAGLBSA-N 1 0 280.328 1.895 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000893181266 617444327 /nfs/dbraw/zinc/44/43/27/617444327.db2.gz KRCOLUQWCSMDMZ-SECBINFHSA-N 1 0 268.269 1.188 20 5 CDBDRO O=[N+]([O-])CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000930762324 617533583 /nfs/dbraw/zinc/53/35/83/617533583.db2.gz XFSOKAMBRJWVPY-LSDHHAIUSA-N 1 0 275.352 1.469 20 5 CDBDRO CC(C)[NH+]1CCN(c2ccc3nonc3c2[N+](=O)[O-])CC1 ZINC000891725486 617556617 /nfs/dbraw/zinc/55/66/17/617556617.db2.gz VCIQTGODWNNNFH-UHFFFAOYSA-N 1 0 291.311 1.661 20 5 CDBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000893329420 617583301 /nfs/dbraw/zinc/58/33/01/617583301.db2.gz QOZHIBZJJCFLTN-ZYHUDNBSSA-N 1 0 298.364 1.508 20 5 CDBDRO C[C@H]1CCC[N@H+](CCNc2c([N+](=O)[O-])cnn2C)C1 ZINC000891838370 617634286 /nfs/dbraw/zinc/63/42/86/617634286.db2.gz QZPBXQOJSDCMMG-JTQLQIEISA-N 1 0 267.333 1.472 20 5 CDBDRO O=[N+]([O-])c1c2nonc2ccc1NCC[N@H+]1CC=CCC1 ZINC000893611438 617667397 /nfs/dbraw/zinc/66/73/97/617667397.db2.gz INZGHJZLNQBLAG-UHFFFAOYSA-N 1 0 289.295 1.805 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC1CC([NH+]2CCCCC2)C1 ZINC000893622824 617701000 /nfs/dbraw/zinc/70/10/00/617701000.db2.gz HONSSNZXYOLFAL-UHFFFAOYSA-N 1 0 279.344 1.757 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCCCO)c1 ZINC000843059614 618692448 /nfs/dbraw/zinc/69/24/48/618692448.db2.gz LHWGXVYZWVCVKI-CYBMUJFWSA-N 1 0 268.313 1.380 20 5 CDBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1C[N@H+](C)CCN1C ZINC000895245405 619486283 /nfs/dbraw/zinc/48/62/83/619486283.db2.gz ASXSLXJZOAKESP-HZMBPMFUSA-N 1 0 296.346 1.780 20 5 CDBDRO Cc1cc(N[C@H](C)[C@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000895246948 619492847 /nfs/dbraw/zinc/49/28/47/619492847.db2.gz DFQZCRFTERHUQM-IUODEOHRSA-N 1 0 292.383 1.949 20 5 CDBDRO CC1(C)CNC(=O)[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000895322783 619556735 /nfs/dbraw/zinc/55/67/35/619556735.db2.gz WTFXFXYTDGQESK-LBPRGKRZSA-N 1 0 277.324 1.252 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CO)C[C@@H]2CCCO2)cc1 ZINC000895749999 619826396 /nfs/dbraw/zinc/82/63/96/619826396.db2.gz XEMPDUHYUDUNHY-HIFRSBDPSA-N 1 0 294.351 1.657 20 5 CDBDRO Cc1nn(C)c(NCC[N@@H+]2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000897248821 620442111 /nfs/dbraw/zinc/44/21/11/620442111.db2.gz DAHUCBUFDWKRBD-UHFFFAOYSA-N 1 0 281.360 1.781 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@@H](O)C2CC2)c1 ZINC000898206740 621362650 /nfs/dbraw/zinc/36/26/50/621362650.db2.gz UPJUODSIGXMPJM-CYBMUJFWSA-N 1 0 250.298 1.845 20 5 CDBDRO C[NH+](C)CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000929163153 621535948 /nfs/dbraw/zinc/53/59/48/621535948.db2.gz YLCGTXOWSKVRSR-STQMWFEESA-N 1 0 277.324 1.376 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000899861193 622487332 /nfs/dbraw/zinc/48/73/32/622487332.db2.gz WVJURGJCMLFQNG-AWEZNQCLSA-N 1 0 297.330 1.065 20 5 CDBDRO O=C(c1ccc(C[NH2+]CC[N+](=O)[O-])cc1)N1CCCC1 ZINC000899863944 622497678 /nfs/dbraw/zinc/49/76/78/622497678.db2.gz CSTRRCUTQRDJCA-UHFFFAOYSA-N 1 0 277.324 1.289 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCN1C ZINC000903317017 625970610 /nfs/dbraw/zinc/97/06/10/625970610.db2.gz SCWPDTCJFJFGOG-GWCFXTLKSA-N 1 0 281.331 1.959 20 5 CDBDRO O=C(CCC[NH2+]CC[N+](=O)[O-])N1Cc2ccccc2C1 ZINC000905105716 626621995 /nfs/dbraw/zinc/62/19/95/626621995.db2.gz YUMIMPZRLREUSY-UHFFFAOYSA-N 1 0 277.324 1.175 20 5 CDBDRO Cc1ccc(N2CCC[C@H]([NH2+]CC[N+](=O)[O-])C2)cc1 ZINC000905140963 626653629 /nfs/dbraw/zinc/65/36/29/626653629.db2.gz ZGQLLVSSARTSOB-ZDUSSCGKSA-N 1 0 263.341 1.830 20 5 CDBDRO CCO[C@@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])[C@H]1Oc1ccccc1 ZINC000905216816 626696527 /nfs/dbraw/zinc/69/65/27/626696527.db2.gz HSQHSNISWAYLLH-MGPQQGTHSA-N 1 0 280.324 1.478 20 5 CDBDRO C[NH+](C)CCOc1ccc(NCC[N+](=O)[O-])cc1Cl ZINC000905328409 626753899 /nfs/dbraw/zinc/75/38/99/626753899.db2.gz KTBVWRXROATZBG-UHFFFAOYSA-N 1 0 287.747 1.969 20 5 CDBDRO CC1(C)CN(c2ncc([N+](=O)[O-])cc2F)C[C@@H]1[NH3+] ZINC000905724053 626947844 /nfs/dbraw/zinc/94/78/44/626947844.db2.gz DXYUZPWNJBMUEU-VIFPVBQESA-N 1 0 254.265 1.302 20 5 CDBDRO [NH3+][C@H]1C[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000906507981 627296022 /nfs/dbraw/zinc/29/60/22/627296022.db2.gz FQJRHSMXLUVOMM-MGCOHNPYSA-N 1 0 255.705 1.828 20 5 CDBDRO [NH3+]C1CC(NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906509254 627297692 /nfs/dbraw/zinc/29/76/92/627297692.db2.gz CNNQQROGWKRXJZ-UHFFFAOYSA-N 1 0 255.705 1.828 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCOC2)cc1 ZINC000149694624 628365711 /nfs/dbraw/zinc/36/57/11/628365711.db2.gz IRADEVXETHLHTO-JQWIXIFHSA-N 1 0 252.270 1.007 20 5 CDBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCC[NH2+]CC1 ZINC000911656804 629402857 /nfs/dbraw/zinc/40/28/57/629402857.db2.gz UYFGRCRNJUTAQH-ZIAGYGMSSA-N 1 0 289.335 1.520 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000911734634 629455688 /nfs/dbraw/zinc/45/56/88/629455688.db2.gz PCPHEJDAZVVJGW-SECBINFHSA-N 1 0 295.364 1.738 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)C[NH3+] ZINC000911811970 629544945 /nfs/dbraw/zinc/54/49/45/629544945.db2.gz FQEJGSARLMBCKP-MRVPVSSYSA-N 1 0 283.353 1.736 20 5 CDBDRO Cc1c(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000917030304 632132543 /nfs/dbraw/zinc/13/25/43/632132543.db2.gz XLKCUNDNJPFDDZ-GFCCVEGCSA-N 1 0 277.324 1.601 20 5 CDBDRO CC[NH+](CC)CCOC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000919973190 632703880 /nfs/dbraw/zinc/70/38/80/632703880.db2.gz RTBSGWCOFYJKBD-UHFFFAOYSA-N 1 0 284.316 1.135 20 5 CDBDRO CS[C@H](C)CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867969138 696032980 /nfs/dbraw/zinc/03/29/80/696032980.db2.gz KODLFMGWZNSQJV-NOZJJQNGSA-N 1 0 297.380 1.636 20 5 CDBDRO C[C@H]([NH2+]CC1(CO)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788738217 695197733 /nfs/dbraw/zinc/19/77/33/695197733.db2.gz KPMQWMSJTWLKFF-JTQLQIEISA-N 1 0 279.340 1.990 20 5 CDBDRO C[NH+](C)CCCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000929161255 695264908 /nfs/dbraw/zinc/26/49/08/695264908.db2.gz ORLLHAMSXWSREM-KGLIPLIRSA-N 1 0 291.351 1.766 20 5 CDBDRO CC[C@@]1(O)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778397733 695360391 /nfs/dbraw/zinc/36/03/91/695360391.db2.gz DDOGDADOQBFEHF-ZIAGYGMSSA-N 1 0 280.324 1.475 20 5 CDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886218245 695383687 /nfs/dbraw/zinc/38/36/87/695383687.db2.gz QTIFUPONBJKXHP-ZDUSSCGKSA-N 1 0 278.356 1.762 20 5 CDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818016554 695415712 /nfs/dbraw/zinc/41/57/12/695415712.db2.gz XHBKFJYPUVDQIF-CQSZACIVSA-N 1 0 293.298 1.702 20 5 CDBDRO C[C@H](CCO)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844446033 695422374 /nfs/dbraw/zinc/42/23/74/695422374.db2.gz BKBPPJHDOQVROL-ZWNOBZJWSA-N 1 0 268.313 1.331 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000837189048 695433592 /nfs/dbraw/zinc/43/35/92/695433592.db2.gz HFBZQRBQSVLFGH-GFCCVEGCSA-N 1 0 285.388 1.763 20 5 CDBDRO COC[C@H]([NH3+])C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000262332880 695451099 /nfs/dbraw/zinc/45/10/99/695451099.db2.gz RVMMAYFGKSGWPK-LBPRGKRZSA-N 1 0 293.323 1.060 20 5 CDBDRO CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000038108373 695514570 /nfs/dbraw/zinc/51/45/70/695514570.db2.gz FNKNBPKWLIMHIB-UHFFFAOYSA-N 1 0 295.314 1.948 20 5 CDBDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886267778 695525952 /nfs/dbraw/zinc/52/59/52/695525952.db2.gz UXRBHSDQMVAFEM-CMPLNLGQSA-N 1 0 267.329 1.877 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000237563460 695529290 /nfs/dbraw/zinc/52/92/90/695529290.db2.gz MUWMKWDBEXGXCR-SSDOTTSWSA-N 1 0 271.704 1.573 20 5 CDBDRO CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]CC[N+](=O)[O-] ZINC000791053175 695584356 /nfs/dbraw/zinc/58/43/56/695584356.db2.gz BIEGSNVIXXRUHM-ZDUSSCGKSA-N 1 0 289.376 1.792 20 5 CDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@]1(F)CC[NH2+]C1 ZINC000831465259 695705669 /nfs/dbraw/zinc/70/56/69/695705669.db2.gz GWJVNNVROIHGQU-GFCCVEGCSA-N 1 0 293.258 1.111 20 5 CDBDRO CNc1c(C(=O)OCCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000792130557 695752790 /nfs/dbraw/zinc/75/27/90/695752790.db2.gz CWFIELSFIURCGB-UHFFFAOYSA-N 1 0 281.312 1.745 20 5 CDBDRO Cc1ccc(C[NH2+]CCN2CCNC2=O)cc1[N+](=O)[O-] ZINC000886324412 695782183 /nfs/dbraw/zinc/78/21/83/695782183.db2.gz OSXGTINWFMBJFU-UHFFFAOYSA-N 1 0 278.312 1.018 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823310961 695787201 /nfs/dbraw/zinc/78/72/01/695787201.db2.gz UYOCEYIZGBOVJP-SNVBAGLBSA-N 1 0 259.350 1.278 20 5 CDBDRO CO[C@H]1CCCN(Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000076266364 695800753 /nfs/dbraw/zinc/80/07/53/695800753.db2.gz XRSWWYLZFCOWDL-NSHDSACASA-N 1 0 268.317 1.476 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)c1nc2ccccn2c1[N+](=O)[O-] ZINC000817131584 695829407 /nfs/dbraw/zinc/82/94/07/695829407.db2.gz FXQMMHRBLJZRBW-LLVKDONJSA-N 1 0 289.339 1.773 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)c1C ZINC000884469368 695866486 /nfs/dbraw/zinc/86/64/86/695866486.db2.gz GCVBUUVPGLPYIS-PHIMTYICSA-N 1 0 277.324 1.679 20 5 CDBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839572765 695925643 /nfs/dbraw/zinc/92/56/43/695925643.db2.gz VNJZFUHEBHRHOZ-UJPOAAIJSA-N 1 0 283.372 1.134 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932177512 695981944 /nfs/dbraw/zinc/98/19/44/695981944.db2.gz AMUJOUQYWMTUPP-DOMZBBRYSA-N 1 0 295.383 1.947 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702054772 696020224 /nfs/dbraw/zinc/02/02/24/696020224.db2.gz WPSQZNSNRXSBJV-SSDOTTSWSA-N 1 0 271.704 1.667 20 5 CDBDRO C[C@@H]1C[C@@H](CO)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000817278162 696030930 /nfs/dbraw/zinc/03/09/30/696030930.db2.gz TVDWPPAZNQMKDG-LALPHHSUSA-N 1 0 294.351 1.579 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](C)[C@H](C)[NH3+])CC2 ZINC000818608373 696103821 /nfs/dbraw/zinc/10/38/21/696103821.db2.gz BBYYQNWKPKNMLO-UWVGGRQHSA-N 1 0 277.324 1.776 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)CC(N)=O ZINC000873080148 696113786 /nfs/dbraw/zinc/11/37/86/696113786.db2.gz MHPFCUNCIPWPGZ-SECBINFHSA-N 1 0 265.313 1.565 20 5 CDBDRO [NH3+]C1CCC(NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000051692606 696118785 /nfs/dbraw/zinc/11/87/85/696118785.db2.gz NYQDUVBUZSQKRY-UHFFFAOYSA-N 1 0 263.297 1.595 20 5 CDBDRO C[C@@H](N[C@H]1CC[NH2+][C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817970799 696196115 /nfs/dbraw/zinc/19/61/15/696196115.db2.gz FIXSVFJBZJDATD-FOGDFJRCSA-N 1 0 278.356 1.968 20 5 CDBDRO CNC(=O)CC[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170305507 1162330259 /nfs/dbraw/zinc/33/02/59/1162330259.db2.gz MBGINGGIYBCCTH-JTQLQIEISA-N 1 0 295.339 1.260 20 5 CDBDRO COC(=O)c1ccnc(N2CCC[C@H]([NH3+])[C@H]2C)c1[N+](=O)[O-] ZINC001157741357 1162371386 /nfs/dbraw/zinc/37/13/86/1162371386.db2.gz KKJXUEHNJOJJJJ-SCZZXKLOSA-N 1 0 294.311 1.092 20 5 CDBDRO C[C@H](Nc1cccc2ncc([N+](=O)[O-])n21)[C@@H]1C[NH2+]CCO1 ZINC001170577077 1162996949 /nfs/dbraw/zinc/99/69/49/1162996949.db2.gz XZAHMOMYTYWQHT-UWVGGRQHSA-N 1 0 291.311 1.031 20 5 CDBDRO [NH3+]CCN(C[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000809735291 1163073004 /nfs/dbraw/zinc/07/30/04/1163073004.db2.gz ZVOPETYMCPTOIO-LBPRGKRZSA-N 1 0 279.340 1.787 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]CCO[C@H]2CCOC2)cs1 ZINC000922938840 1161536073 /nfs/dbraw/zinc/53/60/73/1161536073.db2.gz JCAVRRAZYYMNTF-JTQLQIEISA-N 1 0 272.326 1.551 20 5 CDBDRO [NH3+][C@@H]1CCc2nn(-c3ccc4ncc([N+](=O)[O-])n4c3)cc2C1 ZINC001168822523 1161989228 /nfs/dbraw/zinc/98/92/28/1161989228.db2.gz WREPIIGPMVJMMD-SNVBAGLBSA-N 1 0 298.306 1.244 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2COc3ccccc3O2)C1 ZINC001168966582 1161995793 /nfs/dbraw/zinc/99/57/93/1161995793.db2.gz JOGVXOUUCTYKEN-JHJVBQTASA-N 1 0 292.335 1.861 20 5 CDBDRO COc1cc(C)[nH]c(=O)c1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168998249 1161997022 /nfs/dbraw/zinc/99/70/22/1161997022.db2.gz KMRIPHDYNMUGDS-QWRGUYRKSA-N 1 0 295.339 1.639 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cncn2CC2CC2)C1 ZINC001168998697 1161997040 /nfs/dbraw/zinc/99/70/40/1161997040.db2.gz QBAOVOOPVZGXKS-CHWSQXEVSA-N 1 0 278.356 1.828 20 5 CDBDRO O=[N+]([O-])c1cnc(NCC23CC[NH+](CC2)CC3)cn1 ZINC001169795954 1162017118 /nfs/dbraw/zinc/01/71/18/1162017118.db2.gz IPEAPFSGTCZELY-UHFFFAOYSA-N 1 0 263.301 1.283 20 5 CDBDRO CC(C)(C(=O)NC[C@H]1C[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000870971113 1165245114 /nfs/dbraw/zinc/24/51/14/1165245114.db2.gz CQBHRCFMUUMLGU-UMSPYCQHSA-N 1 0 291.351 1.726 20 5 CDBDRO O=[N+]([O-])c1ccnc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001155592810 1167249587 /nfs/dbraw/zinc/24/95/87/1167249587.db2.gz SIEUZDPLDQKPMD-FZMZJTMJSA-N 1 0 292.339 1.560 20 5 CDBDRO CO[C@H]1CN[C@@H](C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001574000040 1170855539 /nfs/dbraw/zinc/85/55/39/1170855539.db2.gz AOVSSQYUJTUBAD-CKYFFXLPSA-N 1 0 294.307 1.576 20 5 CDBDRO CC(C)(CCC(=O)NCC[C@@H]1CCC[NH2+]CC1)[N+](=O)[O-] ZINC001575298599 1171147307 /nfs/dbraw/zinc/14/73/07/1171147307.db2.gz BTZDNPCUDHLPAP-GFCCVEGCSA-N 1 0 285.388 1.718 20 5 CDBDRO O=C(COc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH2+]CC1 ZINC000070981943 1171695781 /nfs/dbraw/zinc/69/57/81/1171695781.db2.gz MTIQRPFUIIYDQK-UHFFFAOYSA-N 1 0 299.714 1.059 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@](C)(C[NH3+])C2CC2)n1 ZINC001579642849 1172233061 /nfs/dbraw/zinc/23/30/61/1172233061.db2.gz YTIJNANTMHLLGK-ZDUSSCGKSA-N 1 0 278.312 1.155 20 5 CDBDRO COc1cccc(N2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000135049872 1175822033 /nfs/dbraw/zinc/82/20/33/1175822033.db2.gz JXOJTHZTPMUJJU-SECBINFHSA-N 1 0 251.286 1.531 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000193603903 1184597901 /nfs/dbraw/zinc/59/79/01/1184597901.db2.gz OIBPHDZOLCNSNQ-GMSGAONNSA-N 1 0 296.302 1.186 20 5 CDBDRO C[C@@H]1[NH2+]C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000401211987 1186406505 /nfs/dbraw/zinc/40/65/05/1186406505.db2.gz AMGBLAVWOPPNHM-DCAQKATOSA-N 1 0 277.324 1.806 20 5 CDBDRO C[C@H](O)CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000789305306 724402780 /nfs/dbraw/zinc/40/27/80/724402780.db2.gz JWZHMFVRSTZCNG-ZDUSSCGKSA-N 1 0 293.367 1.878 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(C[C@@H]2CCC[C@H]2[NH3+])n1 ZINC000844916383 724405366 /nfs/dbraw/zinc/40/53/66/724405366.db2.gz KFXOJCFAAKWCGA-JGVFFNPUSA-N 1 0 292.299 1.048 20 5 CDBDRO C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000923288126 724405483 /nfs/dbraw/zinc/40/54/83/724405483.db2.gz HPXVLVYJPCXHOE-LERXQTSPSA-N 1 0 279.340 1.297 20 5 CDBDRO C[C@H](C[C@H](C)O)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000252766297 723696218 /nfs/dbraw/zinc/69/62/18/723696218.db2.gz QDEGQAAWFSJMBC-NRUUGDAUSA-N 1 0 268.313 1.377 20 5 CDBDRO C[C@@H](CC(N)=O)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866287230 723706139 /nfs/dbraw/zinc/70/61/39/723706139.db2.gz KSURRNSWLOPDCM-IUCAKERBSA-N 1 0 283.303 1.518 20 5 CDBDRO Cn1ccnc1[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886086710 723706788 /nfs/dbraw/zinc/70/67/88/723706788.db2.gz LXBMEDDHHRDMCI-GFCCVEGCSA-N 1 0 287.323 1.713 20 5 CDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000715073735 723720480 /nfs/dbraw/zinc/72/04/80/723720480.db2.gz UYEFODHCKGSQGT-OTSSQURYSA-N 1 0 267.260 1.201 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1COC[C@H]1O ZINC000866372185 723733073 /nfs/dbraw/zinc/73/30/73/723733073.db2.gz PBPAASJLXDEBQU-XTWCZFFVSA-N 1 0 284.287 1.014 20 5 CDBDRO C[C@@H]([NH2+]C[C@H](O)C1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834904997 723745588 /nfs/dbraw/zinc/74/55/88/723745588.db2.gz DQTIXGJGXOEJID-OTYXRUKQSA-N 1 0 279.340 1.989 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCOCC(F)F)c1 ZINC000819256060 723746634 /nfs/dbraw/zinc/74/66/34/723746634.db2.gz HPRQIJUHRCLVIR-NSHDSACASA-N 1 0 290.266 1.500 20 5 CDBDRO C[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834909149 723769027 /nfs/dbraw/zinc/76/90/27/723769027.db2.gz OTAUSVSQXDJBJS-LKFCYVNXSA-N 1 0 292.339 1.496 20 5 CDBDRO C[N@H+](C[C@H](O)C1CC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591235 723774528 /nfs/dbraw/zinc/77/45/28/723774528.db2.gz HUVOHKUZNDQVIW-UONOGXRCSA-N 1 0 280.324 1.331 20 5 CDBDRO C[C@@H](NC(=O)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000928248277 723785253 /nfs/dbraw/zinc/78/52/53/723785253.db2.gz JACWDBWIIVESPU-SECBINFHSA-N 1 0 251.286 1.334 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822829210 723814356 /nfs/dbraw/zinc/81/43/56/723814356.db2.gz LQRVGUOYUDSVAM-LBPRGKRZSA-N 1 0 285.388 1.668 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000826777476 723861182 /nfs/dbraw/zinc/86/11/82/723861182.db2.gz BHKKZODERQWPNU-GHMZBOCLSA-N 1 0 283.372 1.563 20 5 CDBDRO CC[C@H](O)C[N@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000930056888 723988884 /nfs/dbraw/zinc/98/88/84/723988884.db2.gz KALDKYGCIKPCTQ-ZDUSSCGKSA-N 1 0 252.314 1.536 20 5 CDBDRO Cc1n[nH]cc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809736384 723929341 /nfs/dbraw/zinc/92/93/41/723929341.db2.gz RVHZMGIZCICWAD-UHFFFAOYSA-N 1 0 275.312 1.592 20 5 CDBDRO Cc1c(C[NH2+]C[C@@H]2CCCNC2=O)cccc1[N+](=O)[O-] ZINC000873131275 723952848 /nfs/dbraw/zinc/95/28/48/723952848.db2.gz RBFCECXMMVKURR-LBPRGKRZSA-N 1 0 277.324 1.519 20 5 CDBDRO C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815578304 724079592 /nfs/dbraw/zinc/07/95/92/724079592.db2.gz LTAFJSBKXYYPRK-XPTSAGLGSA-N 1 0 279.340 1.989 20 5 CDBDRO CCCN(Cc1cccnc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000886829937 724145246 /nfs/dbraw/zinc/14/52/46/724145246.db2.gz JTCKXMKBHKLFGW-UHFFFAOYSA-N 1 0 278.356 1.954 20 5 CDBDRO C[C@]12CC[N@H+](CC[N+](=O)[O-])C[C@H]1C2(Cl)Cl ZINC000930366155 724362896 /nfs/dbraw/zinc/36/28/96/724362896.db2.gz FEYWVEPFEJRPGB-SFYZADRCSA-N 1 0 253.129 1.779 20 5 CDBDRO C[C@@H]([NH3+])CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000877096462 725403433 /nfs/dbraw/zinc/40/34/33/725403433.db2.gz HKLJVGDJOGEJAS-SECBINFHSA-N 1 0 280.328 1.080 20 5 CDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000930560700 725413271 /nfs/dbraw/zinc/41/32/71/725413271.db2.gz NCCXJCHFYBJBIF-GZMMTYOYSA-N 1 0 256.327 1.617 20 5 CDBDRO C[C@@H]([NH3+])CN(C)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000877098142 724489255 /nfs/dbraw/zinc/48/92/55/724489255.db2.gz OCRSWIOFJCNYLK-NXEZZACHSA-N 1 0 297.380 1.881 20 5 CDBDRO CC1(C)C[NH2+]C[C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000884100286 724510718 /nfs/dbraw/zinc/51/07/18/724510718.db2.gz PHOLCGVUYRWULC-CYBMUJFWSA-N 1 0 291.351 1.499 20 5 CDBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839780492 725567076 /nfs/dbraw/zinc/56/70/76/725567076.db2.gz ANYWFXFYTWTQJR-YNEHKIRRSA-N 1 0 283.372 1.278 20 5 CDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCC[NH+](C)C ZINC000843750851 724528443 /nfs/dbraw/zinc/52/84/43/724528443.db2.gz YDYZJZASPJFVJZ-UHFFFAOYSA-N 1 0 283.303 1.724 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886830436 724566307 /nfs/dbraw/zinc/56/63/07/724566307.db2.gz QTAOXAANBDOPTA-QWRGUYRKSA-N 1 0 264.329 1.549 20 5 CDBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000251888914 724605256 /nfs/dbraw/zinc/60/52/56/724605256.db2.gz VKAUSLJKWFIWBJ-MWLCHTKSSA-N 1 0 296.298 1.975 20 5 CDBDRO C[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C[NH+](C)C ZINC000832560180 724643027 /nfs/dbraw/zinc/64/30/27/724643027.db2.gz WSSYNTZWCXADDJ-JTQLQIEISA-N 1 0 259.350 1.136 20 5 CDBDRO C[N@H+](CCOCC1CC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592688 724796755 /nfs/dbraw/zinc/79/67/55/724796755.db2.gz SHPJBWICXYSLTA-HNNXBMFYSA-N 1 0 294.351 1.987 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000872320181 724801035 /nfs/dbraw/zinc/80/10/35/724801035.db2.gz LVOFSGVRYSUHHE-MBNYWOFBSA-N 1 0 278.308 1.206 20 5 CDBDRO COc1nc(N2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001165041655 721943867 /nfs/dbraw/zinc/94/38/67/721943867.db2.gz AQYVEMZHBYNTHG-UHFFFAOYSA-N 1 0 294.355 1.776 20 5 CDBDRO COc1cc(N2CCC(C[NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC001165042917 721944765 /nfs/dbraw/zinc/94/47/65/721944765.db2.gz YNCRGORASSWJIW-UHFFFAOYSA-N 1 0 294.355 1.776 20 5 CDBDRO COc1cnc(N2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001165042448 721945217 /nfs/dbraw/zinc/94/52/17/721945217.db2.gz ROQPRRIIIDXJMM-UHFFFAOYSA-N 1 0 294.355 1.776 20 5 CDBDRO C[C@@H]([NH2+]CCn1cccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788641678 724814177 /nfs/dbraw/zinc/81/41/77/724814177.db2.gz KJPSEXWJUIIBIU-SNVBAGLBSA-N 1 0 275.312 1.724 20 5 CDBDRO C[C@H]([NH3+])c1cn(Cc2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC000881227460 724830273 /nfs/dbraw/zinc/83/02/73/724830273.db2.gz WZWOHVHIQWOTQS-ZETCQYMHSA-N 1 0 281.703 1.908 20 5 CDBDRO C[C@@H](NC[C@H]([NH3+])C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817965436 723697831 /nfs/dbraw/zinc/69/78/31/723697831.db2.gz QLRIOORNMBRIMS-PELKAZGASA-N 1 0 264.329 1.565 20 5 CDBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000836950151 723705797 /nfs/dbraw/zinc/70/57/97/723705797.db2.gz VVGQXHLRXQJTFJ-GFCCVEGCSA-N 1 0 285.388 1.765 20 5 CDBDRO COC[C@@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000097987952 723724309 /nfs/dbraw/zinc/72/43/09/723724309.db2.gz GGHMUNFKWZQZOV-SKDRFNHKSA-N 1 0 254.286 1.253 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)n1 ZINC000886830305 723749852 /nfs/dbraw/zinc/74/98/52/723749852.db2.gz OQMGBGOBAWQPBL-RYUDHWBXSA-N 1 0 280.328 1.292 20 5 CDBDRO CON(C)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000850479809 723769903 /nfs/dbraw/zinc/76/99/03/723769903.db2.gz ZWEIDKGPNTXLJZ-CQSZACIVSA-N 1 0 293.367 1.999 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCCOCC2)c1 ZINC000819211244 723779124 /nfs/dbraw/zinc/77/91/24/723779124.db2.gz XOMQXZBUIYZZSB-GXTWGEPZSA-N 1 0 280.324 1.787 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000857008057 723881468 /nfs/dbraw/zinc/88/14/68/723881468.db2.gz BDMDVLUFWFWZQQ-XPTSAGLGSA-N 1 0 290.323 1.130 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000852923236 723889553 /nfs/dbraw/zinc/88/95/53/723889553.db2.gz AVIJYBZWYMOFQX-ZETCQYMHSA-N 1 0 296.283 1.149 20 5 CDBDRO CON(C)C(=O)CC[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000819110605 723983290 /nfs/dbraw/zinc/98/32/90/723983290.db2.gz FDXJMXZFQSLRCY-UHFFFAOYSA-N 1 0 281.312 1.137 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000826777478 724010985 /nfs/dbraw/zinc/01/09/85/724010985.db2.gz BHKKZODERQWPNU-MNOVXSKESA-N 1 0 283.372 1.563 20 5 CDBDRO COCC[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000798967443 724072403 /nfs/dbraw/zinc/07/24/03/724072403.db2.gz YWPXRVOCFAYVNX-SNVBAGLBSA-N 1 0 288.731 1.735 20 5 CDBDRO C[C@@H](NC(=O)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000048544068 724182185 /nfs/dbraw/zinc/18/21/85/724182185.db2.gz ZNGACBLFNJRMDF-LLVKDONJSA-N 1 0 277.324 1.868 20 5 CDBDRO C[C@H]([NH2+]C1COC(C)(C)OC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815615981 724192174 /nfs/dbraw/zinc/19/21/74/724192174.db2.gz CMHJPSCXPBLUFX-VIFPVBQESA-N 1 0 295.339 1.979 20 5 CDBDRO C[NH+](C)C[C@H](O)CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000840242577 724200691 /nfs/dbraw/zinc/20/06/91/724200691.db2.gz XQEKYICYNVUXCT-GFCCVEGCSA-N 1 0 290.323 1.477 20 5 CDBDRO Cc1c(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000819189398 724231808 /nfs/dbraw/zinc/23/18/08/724231808.db2.gz CEDFIYGZGMTJHH-AWEZNQCLSA-N 1 0 290.323 1.460 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818016718 725046745 /nfs/dbraw/zinc/04/67/45/725046745.db2.gz NSPHVVJEONGRHR-AWEZNQCLSA-N 1 0 293.298 1.702 20 5 CDBDRO C[N@H+](CCC(N)=O)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809713739 725049438 /nfs/dbraw/zinc/04/94/38/725049438.db2.gz KQXYOTNCPFGKOU-UHFFFAOYSA-N 1 0 271.704 1.555 20 5 CDBDRO C[C@@H](O)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866212771 725051568 /nfs/dbraw/zinc/05/15/68/725051568.db2.gz VJOPEMVNNCNICB-DTWKUNHWSA-N 1 0 256.277 1.635 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000070076298 725199721 /nfs/dbraw/zinc/19/97/21/725199721.db2.gz SVXDUVAURXEAGH-DTORHVGOSA-N 1 0 281.287 1.556 20 5 CDBDRO Cc1cc(F)cc(C(=O)N(C)CCC[NH3+])c1[N+](=O)[O-] ZINC000818523008 725208838 /nfs/dbraw/zinc/20/88/38/725208838.db2.gz VVVBFMKFTDRLGS-UHFFFAOYSA-N 1 0 269.276 1.463 20 5 CDBDRO COCCOC[C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788669380 725217198 /nfs/dbraw/zinc/21/71/98/725217198.db2.gz ZLCDNMXDJRNAPD-WDEREUQCSA-N 1 0 297.355 1.879 20 5 CDBDRO CS[C@@H](C)CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867969141 725220006 /nfs/dbraw/zinc/22/00/06/725220006.db2.gz KODLFMGWZNSQJV-ZANVPECISA-N 1 0 297.380 1.636 20 5 CDBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000868817784 725236641 /nfs/dbraw/zinc/23/66/41/725236641.db2.gz MURXEROEZZIBJC-ZYHUDNBSSA-N 1 0 293.323 1.361 20 5 CDBDRO Cc1cc(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000715065450 725241237 /nfs/dbraw/zinc/24/12/37/725241237.db2.gz HRRCTLUGZZHEFD-JGZJWPJOSA-N 1 0 263.297 1.370 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886830435 725244370 /nfs/dbraw/zinc/24/43/70/725244370.db2.gz QTAOXAANBDOPTA-MNOVXSKESA-N 1 0 264.329 1.549 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000886841220 725333506 /nfs/dbraw/zinc/33/35/06/725333506.db2.gz FPCQCJGGNGHTGZ-YPMHNXCESA-N 1 0 276.340 1.564 20 5 CDBDRO O=[N+]([O-])CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000930457309 725337621 /nfs/dbraw/zinc/33/76/21/725337621.db2.gz AVUQOSPRBOGAMU-RBSFLKMASA-N 1 0 276.336 1.768 20 5 CDBDRO C[C@H]([NH3+])CN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000863568214 725377834 /nfs/dbraw/zinc/37/78/34/725377834.db2.gz INMYZHFSKQWMEF-JTQLQIEISA-N 1 0 253.302 1.253 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000235345881 725392943 /nfs/dbraw/zinc/39/29/43/725392943.db2.gz RLOCATOVDONXCI-NXEZZACHSA-N 1 0 263.297 1.322 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCCC1CC[NH2+]CC1 ZINC000846701581 725404299 /nfs/dbraw/zinc/40/42/99/725404299.db2.gz YYQAXEGPWKRIKF-UHFFFAOYSA-N 1 0 292.339 1.297 20 5 CDBDRO CC(C)(CCc1noc(CC[NH2+]C2CC2)n1)[N+](=O)[O-] ZINC000848632093 725407723 /nfs/dbraw/zinc/40/77/23/725407723.db2.gz ODXUQHSSHFMBNZ-UHFFFAOYSA-N 1 0 268.317 1.352 20 5 CDBDRO COC(=O)N(C)CC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000850390388 725408790 /nfs/dbraw/zinc/40/87/90/725408790.db2.gz XYKOWIRUEUTVEL-UHFFFAOYSA-N 1 0 297.311 1.391 20 5 CDBDRO Cc1cnc(N[C@@H]2CCC[NH2+][C@@H]2C)c([N+](=O)[O-])c1 ZINC000229601542 725411683 /nfs/dbraw/zinc/41/16/83/725411683.db2.gz OTFKYSBHVZBYOR-NXEZZACHSA-N 1 0 250.302 1.851 20 5 CDBDRO CC(C)C[C@H](O)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000226105944 725412199 /nfs/dbraw/zinc/41/21/99/725412199.db2.gz OKFJISPIEYMMEW-KBPBESRZSA-N 1 0 282.340 1.625 20 5 CDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@H]1CC[NH2+]C1 ZINC000841856541 725414067 /nfs/dbraw/zinc/41/40/67/725414067.db2.gz RWPXWRUSELQUDZ-VIFPVBQESA-N 1 0 298.730 1.409 20 5 CDBDRO O=C(NCC[NH2+]C1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700608940 725417788 /nfs/dbraw/zinc/41/77/88/725417788.db2.gz PRPBDDGOPSTLHJ-UHFFFAOYSA-N 1 0 283.715 1.730 20 5 CDBDRO Cc1nn(CN2CC[C@@H](n3cccn3)C2)c(C)c1[N+](=O)[O-] ZINC000812294355 725438142 /nfs/dbraw/zinc/43/81/42/725438142.db2.gz KVOQXPYIOVUELN-GFCCVEGCSA-N 1 0 290.327 1.509 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000850729790 725456645 /nfs/dbraw/zinc/45/66/45/725456645.db2.gz IGHPEVLHDKXSRC-ZETCQYMHSA-N 1 0 286.719 1.978 20 5 CDBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886130174 725496418 /nfs/dbraw/zinc/49/64/18/725496418.db2.gz XMWUSICQSORWON-UWVGGRQHSA-N 1 0 281.312 1.667 20 5 CDBDRO C[C@]12C[NH2+]C[C@H]1CN(Cc1cccnc1[N+](=O)[O-])C2 ZINC000886841267 725661446 /nfs/dbraw/zinc/66/14/46/725661446.db2.gz GRAQBCYUXYJNHX-WCQYABFASA-N 1 0 262.313 1.031 20 5 CDBDRO C[NH+](C)C1(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000868897382 725915813 /nfs/dbraw/zinc/91/58/13/725915813.db2.gz XDYYBGSMOBXHIY-UHFFFAOYSA-N 1 0 295.314 1.487 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000931040059 725938989 /nfs/dbraw/zinc/93/89/89/725938989.db2.gz WWDREPDXDGJLSB-JQWIXIFHSA-N 1 0 281.360 1.124 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000124594493 726006459 /nfs/dbraw/zinc/00/64/59/726006459.db2.gz CBRJTKIKOJFOOP-UHFFFAOYSA-N 1 0 285.731 1.930 20 5 CDBDRO C/C=C/C[C@H](CO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843077929 726008508 /nfs/dbraw/zinc/00/85/08/726008508.db2.gz QJXTXPGCTXKEGO-VJTBZZIASA-N 1 0 280.324 1.545 20 5 CDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000110939398 1166537057 /nfs/dbraw/zinc/53/70/57/1166537057.db2.gz ZQXMKLGLSHYAQV-CYBMUJFWSA-N 1 0 277.324 1.809 20 5 CDBDRO CC[C@H](O)C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215192 912299059 /nfs/dbraw/zinc/29/90/59/912299059.db2.gz UFILVKFSQOQPGX-MFKMUULPSA-N 1 0 252.314 1.886 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCOC1=O ZINC001173232724 912325232 /nfs/dbraw/zinc/32/52/32/912325232.db2.gz FTSYAFMUNVXRHU-NSHDSACASA-N 1 0 293.323 1.568 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1OCCO1 ZINC001173232156 912328340 /nfs/dbraw/zinc/32/83/40/912328340.db2.gz DFCHBAWRFCVIBQ-JTQLQIEISA-N 1 0 266.297 1.488 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(C)C1 ZINC001173210105 912329653 /nfs/dbraw/zinc/32/96/53/912329653.db2.gz IJAVMLLXSLAKSG-YPMHNXCESA-N 1 0 263.341 1.820 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(C)C(=O)C1 ZINC001173214213 912336214 /nfs/dbraw/zinc/33/62/14/912336214.db2.gz NINFVJKFTKBESF-DGCLKSJQSA-N 1 0 291.351 1.736 20 5 CDBDRO N=C(Nc1ccc2nsnc2c1[N+](=O)[O-])SCC[NH3+] ZINC001167912575 893926101 /nfs/dbraw/zinc/92/61/01/893926101.db2.gz QOSWMXICWKKYNB-UHFFFAOYSA-N 1 0 298.353 1.638 20 5 CDBDRO Nc1nc(-n2ccnc2[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001167055070 894054598 /nfs/dbraw/zinc/05/45/98/894054598.db2.gz HEYSDVULKOLAAL-VIFPVBQESA-N 1 0 288.311 1.225 20 5 CDBDRO C[NH2+]Cc1c(C)nn(-c2nc(C)ncc2[N+](=O)[O-])c1C ZINC001167098160 894489529 /nfs/dbraw/zinc/48/95/29/894489529.db2.gz FOXYKLMODRTUQV-UHFFFAOYSA-N 1 0 276.300 1.215 20 5 CDBDRO COc1cnc(-n2nc(C[NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC001167696744 898534166 /nfs/dbraw/zinc/53/41/66/898534166.db2.gz JWTOYUGTZUKUDF-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1-n1nc(C[NH3+])c2ccccc21 ZINC001167697656 898576378 /nfs/dbraw/zinc/57/63/78/898576378.db2.gz IUBPSYHQUSUPHU-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO CN1Cc2cc(-n3ccc(CC[NH3+])n3)cc([N+](=O)[O-])c2N1 ZINC001167731876 899511445 /nfs/dbraw/zinc/51/14/45/899511445.db2.gz AVUBOBRAYLJKJE-UHFFFAOYSA-N 1 0 288.311 1.054 20 5 CDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1cccc(C)c1[N+](=O)[O-] ZINC001167897068 901711423 /nfs/dbraw/zinc/71/14/23/901711423.db2.gz DPIONYYTOFAMFV-LLVKDONJSA-N 1 0 281.312 1.596 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CC[N@H+](C)C1 ZINC001229054762 907837723 /nfs/dbraw/zinc/83/77/23/907837723.db2.gz AQGAMLYBTSCFGZ-SNVBAGLBSA-N 1 0 280.280 1.464 20 5 CDBDRO O=[N+]([O-])c1cncc(Cl)c1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168226711 907943424 /nfs/dbraw/zinc/94/34/24/907943424.db2.gz NJVDRZRTXUVKHO-SFYZADRCSA-N 1 0 274.683 1.177 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCc1noc2ncccc12 ZINC001224180765 909203900 /nfs/dbraw/zinc/20/39/00/909203900.db2.gz NISVDHBRRAXGNM-JTQLQIEISA-N 1 0 250.322 1.834 20 5 CDBDRO N[C@@H]1COC[C@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899829 912038947 /nfs/dbraw/zinc/03/89/47/912038947.db2.gz CZWLELZCEOHCDQ-NWANDNLSSA-N 1 0 291.351 1.158 20 5 CDBDRO C[C@@H](O)[C@@H](CO)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895406 912050460 /nfs/dbraw/zinc/05/04/60/912050460.db2.gz COLWVONDADBFJC-RIEGTJTDSA-N 1 0 294.351 1.174 20 5 CDBDRO C[C@H]1CC[C@H](C[NH3+])CN1c1ccc([N+](=O)[O-])c(N)n1 ZINC000094261967 915730756 /nfs/dbraw/zinc/73/07/56/915730756.db2.gz QQXOFFRGJOQRCD-DTWKUNHWSA-N 1 0 265.317 1.136 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@@H](O)C1 ZINC001254538658 936405443 /nfs/dbraw/zinc/40/54/43/936405443.db2.gz YCZRRHLYNZWGGZ-WZRBSPASSA-N 1 0 264.325 1.886 20 5 CDBDRO [NH3+]CCONc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC001164430239 924886231 /nfs/dbraw/zinc/88/62/31/924886231.db2.gz XRSYOKHEBXUODH-UHFFFAOYSA-N 1 0 281.190 1.796 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001154986554 926311308 /nfs/dbraw/zinc/31/13/08/926311308.db2.gz SQZNNRSJUPYGHC-VHSXEESVSA-N 1 0 266.301 1.218 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1-n1cnc2ccc(C[NH3+])cc21 ZINC001168837922 927483015 /nfs/dbraw/zinc/48/30/15/927483015.db2.gz CBKUUYHHKMZDLJ-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO O=C(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)Nc1ccccc1 ZINC001168976984 927562499 /nfs/dbraw/zinc/56/24/99/927562499.db2.gz GNHWWXHTDXZSTF-YPMHNXCESA-N 1 0 277.324 1.660 20 5 CDBDRO Cc1ccnc(CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168977290 927563025 /nfs/dbraw/zinc/56/30/25/927563025.db2.gz JESDTMWMJOZXKU-QWHCGFSZSA-N 1 0 263.341 1.968 20 5 CDBDRO CC1CCN(CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168957862 927579756 /nfs/dbraw/zinc/57/97/56/927579756.db2.gz JUYQTWIDLMXTKH-UONOGXRCSA-N 1 0 269.389 1.753 20 5 CDBDRO O=C(CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)N1CCCCC1 ZINC001168965979 927589981 /nfs/dbraw/zinc/58/99/81/927589981.db2.gz FINAKSPZAUTEAF-QWHCGFSZSA-N 1 0 283.372 1.424 20 5 CDBDRO N=c1sc2c(n1[C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC[C@H]([NH3+])C2 ZINC001168965509 927590107 /nfs/dbraw/zinc/59/01/07/927590107.db2.gz AFPAEFWPEDHABU-LPEHRKFASA-N 1 0 296.396 1.463 20 5 CDBDRO COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1(C)C ZINC001168969790 927591930 /nfs/dbraw/zinc/59/19/30/927591930.db2.gz FPNCFWSTVIIDNE-RHYQMDGZSA-N 1 0 284.356 1.609 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H](CO)[C@@H](O)c2ccccc2)C1 ZINC001168972650 927596177 /nfs/dbraw/zinc/59/61/77/927596177.db2.gz APHTYGYUZSJSFX-ATGSNQNLSA-N 1 0 294.351 1.116 20 5 CDBDRO COc1ncnc(OC)c1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168975275 927598670 /nfs/dbraw/zinc/59/86/70/927598670.db2.gz VVEHUGVSXUNKGI-NXEZZACHSA-N 1 0 296.327 1.029 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3ccccc3)COC2)C1 ZINC001168974972 927599123 /nfs/dbraw/zinc/59/91/23/927599123.db2.gz UCWXTTJZWDIVMX-OCCSQVGLSA-N 1 0 276.336 1.947 20 5 CDBDRO CCOC(=O)c1cn([C@H]2CC[C@@H](C[N+](=O)[O-])C2)nc1C[NH3+] ZINC001169008054 927610704 /nfs/dbraw/zinc/61/07/04/927610704.db2.gz RGSCSTYWQHZMQN-ZJUUUORDSA-N 1 0 296.327 1.136 20 5 CDBDRO CCOC(=O)c1cn([C@H]2CC[C@H](C[N+](=O)[O-])C2)nc1C[NH3+] ZINC001169008052 927611199 /nfs/dbraw/zinc/61/11/99/927611199.db2.gz RGSCSTYWQHZMQN-UWVGGRQHSA-N 1 0 296.327 1.136 20 5 CDBDRO CN1CCC([N@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169007771 927611514 /nfs/dbraw/zinc/61/15/14/927611514.db2.gz QBZSUBUZSNKNAP-AAEUAGOBSA-N 1 0 255.362 1.458 20 5 CDBDRO CCC1(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)OCCO1 ZINC001169007161 927611901 /nfs/dbraw/zinc/61/19/01/927611901.db2.gz LRKVKOABYWHDSK-NEPJUHHUSA-N 1 0 272.345 1.565 20 5 CDBDRO COC(=O)[C@]1(F)CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169009865 927614244 /nfs/dbraw/zinc/61/42/44/927614244.db2.gz YOXYHRPTZIKUIG-SCVCMEIPSA-N 1 0 274.292 1.019 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@H]3CCO)CC2)C1 ZINC001169012890 927620395 /nfs/dbraw/zinc/62/03/95/927620395.db2.gz SLSUTQWSXAKFNQ-MCIONIFRSA-N 1 0 282.384 1.916 20 5 CDBDRO CCC(=O)N1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168990632 927629556 /nfs/dbraw/zinc/62/95/56/927629556.db2.gz CVILAZBFSJPJJE-UTUOFQBUSA-N 1 0 269.345 1.032 20 5 CDBDRO CCCO[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169027016 927632016 /nfs/dbraw/zinc/63/20/16/927632016.db2.gz OSLAGICKGBXCCV-RWMBFGLXSA-N 1 0 256.346 1.933 20 5 CDBDRO CCOC(=O)[C@H]1[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169035569 927644148 /nfs/dbraw/zinc/64/41/48/927644148.db2.gz CECHWVIVKOCXIH-KVSVUVNWSA-N 1 0 282.340 1.173 20 5 CDBDRO CN1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1(C)C ZINC001169039150 927651147 /nfs/dbraw/zinc/65/11/47/927651147.db2.gz NSZTYQGBNQEKHV-NEPJUHHUSA-N 1 0 255.362 1.458 20 5 CDBDRO CN1CC[C@H]2C[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169038620 927651567 /nfs/dbraw/zinc/65/15/67/927651567.db2.gz JJCYJMOHTPZEIR-ZDEQEGDKSA-N 1 0 253.346 1.068 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001169025468 927662715 /nfs/dbraw/zinc/66/27/15/927662715.db2.gz JGDRMUSJRLIXKV-MCIONIFRSA-N 1 0 267.373 1.602 20 5 CDBDRO C[N@@H+]1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C2(CCCC2)C1 ZINC001169051309 927670077 /nfs/dbraw/zinc/67/00/77/927670077.db2.gz CYECTABGMAQDKJ-UONOGXRCSA-N 1 0 281.400 1.992 20 5 CDBDRO CCOc1cnc(-n2ccc([C@@H](C)[NH3+])n2)c([N+](=O)[O-])c1 ZINC001169227748 927826840 /nfs/dbraw/zinc/82/68/40/927826840.db2.gz FDPXAJPEDWOLFL-MRVPVSSYSA-N 1 0 277.284 1.594 20 5 CDBDRO [NH3+]CCc1cn(-c2nccnc2[N+](=O)[O-])c2cccnc12 ZINC001169703386 928355685 /nfs/dbraw/zinc/35/56/85/928355685.db2.gz VWMILYYCYGNKIQ-UHFFFAOYSA-N 1 0 284.279 1.225 20 5 CDBDRO Cc1nc(N2CC[C@H]([N@@H+](C)C(C)C)C2)ncc1[N+](=O)[O-] ZINC001157022093 929109001 /nfs/dbraw/zinc/10/90/01/929109001.db2.gz UGNAVUZPLPVBOO-NSHDSACASA-N 1 0 279.344 1.612 20 5 CDBDRO CCOC(=O)c1cnc(N(C)C(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC001170051773 929183680 /nfs/dbraw/zinc/18/36/80/929183680.db2.gz CZGILDSCLRVQJH-UHFFFAOYSA-N 1 0 296.327 1.340 20 5 CDBDRO CCCC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001154156034 937511052 /nfs/dbraw/zinc/51/10/52/937511052.db2.gz WUIYDENBXCJION-UHFFFAOYSA-N 1 0 279.340 1.991 20 5 CDBDRO CC(C)([NH3+])CNc1ncc2cccc([N+](=O)[O-])c2n1 ZINC001171191402 931846308 /nfs/dbraw/zinc/84/63/08/931846308.db2.gz TXHKVGUQJYKAMJ-UHFFFAOYSA-N 1 0 261.285 1.687 20 5 CDBDRO COc1c(F)cc(NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC001171193220 931851906 /nfs/dbraw/zinc/85/19/06/931851906.db2.gz SKHVEBAELXOJNV-UHFFFAOYSA-N 1 0 257.265 1.892 20 5 CDBDRO Cc1cnc(N[C@@H](C)CN2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001154747948 937581540 /nfs/dbraw/zinc/58/15/40/937581540.db2.gz MWEJLYJXUJYZRJ-NSHDSACASA-N 1 0 279.344 1.004 20 5 CDBDRO Cc1c(Cc2noc(C3(C)C[NH2+]C3)n2)cccc1[N+](=O)[O-] ZINC001118026825 937582325 /nfs/dbraw/zinc/58/23/25/937582325.db2.gz KDVKWBHVTIGQON-UHFFFAOYSA-N 1 0 288.307 1.738 20 5 CDBDRO [NH3+]Cc1ccnn1-c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001155123659 937638334 /nfs/dbraw/zinc/63/83/34/937638334.db2.gz CWCFTZWBRMWRGY-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO COc1nc(N[C@@H]2CC[NH2+][C@@H]2C)ccc1[N+](=O)[O-] ZINC001155187512 937646063 /nfs/dbraw/zinc/64/60/63/937646063.db2.gz IDHVWQABOFBSIV-HTQZYQBOSA-N 1 0 252.274 1.161 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC001155894916 937686171 /nfs/dbraw/zinc/68/61/71/937686171.db2.gz ZQCIQKVMNRRQCG-IUCAKERBSA-N 1 0 295.343 1.093 20 5 CDBDRO CSCCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001123189872 936124460 /nfs/dbraw/zinc/12/44/60/936124460.db2.gz CYRBOZJVCYHXNB-UHFFFAOYSA-N 1 0 297.380 1.554 20 5 CDBDRO COc1cnc(-n2ccc3cc(C[NH3+])cnc32)c([N+](=O)[O-])c1 ZINC001156594879 938390865 /nfs/dbraw/zinc/39/08/65/938390865.db2.gz SUBJCQPSCWALDV-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[NH2+][C@H](C)C2)n1 ZINC001156689220 938406049 /nfs/dbraw/zinc/40/60/49/938406049.db2.gz OZEUIJSCZHKKNM-ZCFIWIBFSA-N 1 0 271.708 1.145 20 5 CDBDRO CN(c1cccc([N+](=O)[O-])n1)[C@]1(C)CCC[NH2+]C1 ZINC001156954909 938438394 /nfs/dbraw/zinc/43/83/94/938438394.db2.gz CERHWKJISLJJQD-GFCCVEGCSA-N 1 0 250.302 1.568 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(-n3ccc4c3CC[NH2+]C4)c2c1 ZINC001157444365 938492462 /nfs/dbraw/zinc/49/24/62/938492462.db2.gz LZWLDLCTXIHLAK-UHFFFAOYSA-N 1 0 295.302 1.974 20 5 CDBDRO C[C@H]1[C@H]([NH3+])CCCN1c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001157741381 938538639 /nfs/dbraw/zinc/53/86/39/938538639.db2.gz KLHYAKCIDLTECB-JOYOIKCWSA-N 1 0 287.323 1.854 20 5 CDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(N)n1 ZINC001157797167 938547244 /nfs/dbraw/zinc/54/72/44/938547244.db2.gz NXWPZEXNMQDAIW-UWVGGRQHSA-N 1 0 279.344 1.857 20 5 CDBDRO [NH3+][C@@H]1CCc2nn(-c3ncc(Cl)cc3[N+](=O)[O-])cc2C1 ZINC001157980488 938571403 /nfs/dbraw/zinc/57/14/03/938571403.db2.gz WYAJMEQMAAHAHH-SECBINFHSA-N 1 0 293.714 1.645 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001158126097 938585911 /nfs/dbraw/zinc/58/59/11/938585911.db2.gz MGWCVMCNUDKKFM-UHFFFAOYSA-N 1 0 282.691 1.034 20 5 CDBDRO [NH3+]Cc1ccn(-c2cnc3ccc([N+](=O)[O-])cc3n2)c1 ZINC001158763877 938661280 /nfs/dbraw/zinc/66/12/80/938661280.db2.gz JYQSOUIFXCMHIH-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO Cc1c(C)c(-n2nnc3ccc(C[NH3+])cc32)ncc1[N+](=O)[O-] ZINC001159029217 938693475 /nfs/dbraw/zinc/69/34/75/938693475.db2.gz MMQCRMWFQNPTFY-UHFFFAOYSA-N 1 0 298.306 1.799 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(C[NH2+]C3)CC2)n1 ZINC001159041884 938695005 /nfs/dbraw/zinc/69/50/05/938695005.db2.gz HKTGHJDZENEWRF-UHFFFAOYSA-N 1 0 297.746 1.536 20 5 CDBDRO Cc1cc(Cl)nc(NCC2C[NH+](C)C2)c1[N+](=O)[O-] ZINC001159219273 938713111 /nfs/dbraw/zinc/71/31/11/938713111.db2.gz YTRYCKDZPVXNHC-UHFFFAOYSA-N 1 0 270.720 1.925 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1cc([N+](=O)[O-])cc(Cl)n1 ZINC001159739366 938748277 /nfs/dbraw/zinc/74/82/77/938748277.db2.gz DTSWRVLHONWCTI-SECBINFHSA-N 1 0 260.681 1.112 20 5 CDBDRO [NH3+]Cc1nccnc1Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001160246431 938777281 /nfs/dbraw/zinc/77/72/81/938777281.db2.gz RQEFLMNJNQCQEF-UHFFFAOYSA-N 1 0 297.278 1.530 20 5 CDBDRO CC(=O)CC(C)(C)Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001160300955 938779871 /nfs/dbraw/zinc/77/98/71/938779871.db2.gz ITOHGXDAQSYATF-UHFFFAOYSA-N 1 0 293.327 1.241 20 5 CDBDRO COC(=O)c1ccc(C[NH3+])n1-c1ccc([N+](=O)[O-])c(C)n1 ZINC001161935332 938944896 /nfs/dbraw/zinc/94/48/96/938944896.db2.gz YBPVTKVIZPLLCX-UHFFFAOYSA-N 1 0 290.279 1.334 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2C[NH2+]CC(C)(C)O2)n1 ZINC001161955749 938948408 /nfs/dbraw/zinc/94/84/08/938948408.db2.gz JMSAADWFWQCFMB-LLVKDONJSA-N 1 0 294.355 1.786 20 5 CDBDRO COc1cnc(N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001162391845 939043256 /nfs/dbraw/zinc/04/32/56/939043256.db2.gz CSOQEJNCFRBINA-IUCAKERBSA-N 1 0 266.301 1.680 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1NC[C@H]1C[NH2+][C@H](C)C1 ZINC001162557122 939087442 /nfs/dbraw/zinc/08/74/42/939087442.db2.gz BDBJZERSNMWKLP-RKDXNWHRSA-N 1 0 266.301 1.408 20 5 CDBDRO COc1nc(NC[C@@H]2CC[NH2+]C[C@@H]2F)ccc1[N+](=O)[O-] ZINC001162801570 939145674 /nfs/dbraw/zinc/14/56/74/939145674.db2.gz CBSLHDRJWVFNFC-IUCAKERBSA-N 1 0 284.291 1.358 20 5 CDBDRO COc1nc(C)nc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c1[N+](=O)[O-] ZINC001162978395 939168003 /nfs/dbraw/zinc/16/80/03/939168003.db2.gz YNQFLRFEPRNCIZ-TVQRCGJNSA-N 1 0 293.327 1.398 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)nc1 ZINC001163307185 939243780 /nfs/dbraw/zinc/24/37/80/939243780.db2.gz WPRFJGRPXBWTHL-GXFFZTMASA-N 1 0 278.312 1.313 20 5 CDBDRO CN(CC[NH3+])c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001163688223 939309012 /nfs/dbraw/zinc/30/90/12/939309012.db2.gz UBRXRXAPSRCQMM-UHFFFAOYSA-N 1 0 273.296 1.447 20 5 CDBDRO C[NH2+]CCN(C)c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001163718787 939313486 /nfs/dbraw/zinc/31/34/86/939313486.db2.gz GSCWCXPNDBDNSA-UHFFFAOYSA-N 1 0 260.297 1.799 20 5 CDBDRO COc1nc(N2CCC[C@](C)(C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001164243117 939439816 /nfs/dbraw/zinc/43/98/16/939439816.db2.gz WWEDBBGCCACZRK-AWEZNQCLSA-N 1 0 294.355 1.954 20 5 CDBDRO Cc1nc(Cl)nc(-n2cnc3c2C[NH2+]CC3)c1[N+](=O)[O-] ZINC001164310625 939451271 /nfs/dbraw/zinc/45/12/71/939451271.db2.gz WYTGIWUCYDWTHA-UHFFFAOYSA-N 1 0 294.702 1.178 20 5 CDBDRO Cc1cnc(-n2cnc3c2C[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001164309844 939451545 /nfs/dbraw/zinc/45/15/45/939451545.db2.gz FPPJMQCARNFQGY-UHFFFAOYSA-N 1 0 259.269 1.130 20 5 CDBDRO CC[NH+]1CCC(N(C)c2c(C)c([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001165068884 939506061 /nfs/dbraw/zinc/50/60/61/939506061.db2.gz ZFTCAXIAMUELCO-UHFFFAOYSA-N 1 0 294.355 1.457 20 5 CDBDRO C[N@H+](C1CN(c2ncc(F)cc2[N+](=O)[O-])C1)[C@@H]1CCOC1 ZINC001165203771 939523058 /nfs/dbraw/zinc/52/30/58/939523058.db2.gz FXOKWQYCHISFDS-SNVBAGLBSA-N 1 0 296.302 1.038 20 5 CDBDRO COc1cnc(N2CC[C@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001165237698 939531408 /nfs/dbraw/zinc/53/14/08/939531408.db2.gz ZRIKQGRXENDHAI-CQSZACIVSA-N 1 0 292.339 1.578 20 5 CDBDRO Cc1nc(N2CCC(C3C[NH2+]C3)CC2)ncc1[N+](=O)[O-] ZINC001165411954 939560926 /nfs/dbraw/zinc/56/09/26/939560926.db2.gz JJVKOCASKRIPNX-UHFFFAOYSA-N 1 0 277.328 1.129 20 5 CDBDRO [NH3+][C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)n2)C[C@@H]1F ZINC001166928110 939650690 /nfs/dbraw/zinc/65/06/90/939650690.db2.gz ODZDOFKKVJSEJM-NKWVEPMBSA-N 1 0 260.656 1.129 20 5 CDBDRO C[NH+](C)CCO[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001206271920 940010605 /nfs/dbraw/zinc/01/06/05/940010605.db2.gz BQAWBVRHNDHNFM-CYBMUJFWSA-N 1 0 250.298 1.640 20 5 CDBDRO CC(=O)c1ccc(O[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218177029 941042370 /nfs/dbraw/zinc/04/23/70/941042370.db2.gz MYNZNNBWOGHKEY-JTQLQIEISA-N 1 0 250.254 1.538 20 5 CDBDRO COC(=O)[C@@H](O[C@@H](C)C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001223641744 941689090 /nfs/dbraw/zinc/68/90/90/941689090.db2.gz COPNYEOKJOQYJI-GWCFXTLKSA-N 1 0 296.323 1.776 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1cc2ccccc2o1 ZINC001223639469 941689251 /nfs/dbraw/zinc/68/92/51/941689251.db2.gz AQQCJIAMUKQCHS-CYBMUJFWSA-N 1 0 292.355 1.933 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCc1ccccc1C(N)=O ZINC001223723658 941694074 /nfs/dbraw/zinc/69/40/74/941694074.db2.gz JFFNEGWBBVYCTQ-NSHDSACASA-O 1 0 251.350 1.397 20 5 CDBDRO COC(=O)[C@H](Cc1ccccc1)OCCC[N+](C)(C)C ZINC001224618444 941776759 /nfs/dbraw/zinc/77/67/59/941776759.db2.gz HJIUFKRLYUNLDP-HNNXBMFYSA-N 1 0 280.388 1.884 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CO[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC001224704514 941784346 /nfs/dbraw/zinc/78/43/46/941784346.db2.gz AIONOOQRDHDSHV-QWRGUYRKSA-N 1 0 296.327 1.053 20 5 CDBDRO CC(C)(C)OC(=O)N1CC(OCC[N+](C)(C)C)C1 ZINC001224771727 941790486 /nfs/dbraw/zinc/79/04/86/941790486.db2.gz REGOXJMVQGWLBY-UHFFFAOYSA-N 1 0 259.370 1.329 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ncc(Br)cn1 ZINC001225558990 941879221 /nfs/dbraw/zinc/87/92/21/941879221.db2.gz BFDVSHNGSVHRKI-MRVPVSSYSA-N 1 0 275.170 1.713 20 5 CDBDRO O=c1cc[nH]c(OC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC001225667607 941896870 /nfs/dbraw/zinc/89/68/70/941896870.db2.gz SYEVIZNDQBGCNN-UHFFFAOYSA-N 1 0 279.296 1.701 20 5 CDBDRO CC[NH+](CC)C[C@H](C)Oc1ncc([N+](=O)[O-])cn1 ZINC001226730902 942059202 /nfs/dbraw/zinc/05/92/02/942059202.db2.gz IRSPHPCUTKQHBF-VIFPVBQESA-N 1 0 254.290 1.494 20 5 CDBDRO Cc1ccc(O[C@@H](C)C[N+](C)(C)C)c([N+](=O)[O-])n1 ZINC001227222577 942152215 /nfs/dbraw/zinc/15/22/15/942152215.db2.gz RMAPXIDFXUDCDV-JTQLQIEISA-N 1 0 254.310 1.772 20 5 CDBDRO O=[N+]([O-])c1cnc(O[C@H]2C[NH+]3CCC2CC3)c2[nH]cnc21 ZINC001227690972 942205317 /nfs/dbraw/zinc/20/53/17/942205317.db2.gz LLUGHGOCGSDMIC-JTQLQIEISA-N 1 0 289.295 1.339 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CC[N@H+](C)C1 ZINC001229957857 942558511 /nfs/dbraw/zinc/55/85/11/942558511.db2.gz MLPGDKFIWZIPGL-SNVBAGLBSA-N 1 0 294.307 1.773 20 5 CDBDRO C[C@@H](C[NH+](C)C)Oc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001230314728 942606442 /nfs/dbraw/zinc/60/64/42/942606442.db2.gz GCCXJYDACJMUSS-QMMMGPOBSA-N 1 0 269.257 1.832 20 5 CDBDRO Cc1noc2cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c12 ZINC001233665783 943635292 /nfs/dbraw/zinc/63/52/92/943635292.db2.gz YUBAUQDOKBDDJI-LLVKDONJSA-N 1 0 293.343 1.499 20 5 CDBDRO Cc1cc(NC(=O)NCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001263655441 943932552 /nfs/dbraw/zinc/93/25/52/943932552.db2.gz IEJBTOZXAKHERS-UHFFFAOYSA-N 1 0 266.301 1.586 20 5 CDBDRO C[C@@H](NCC[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001262256840 946551025 /nfs/dbraw/zinc/55/10/25/946551025.db2.gz WJHNWBKETUPCQH-NEPJUHHUSA-N 1 0 255.362 1.506 20 5 CDBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001262567147 946718186 /nfs/dbraw/zinc/71/81/86/946718186.db2.gz KCQUKRRFNQSGAP-GWCFXTLKSA-N 1 0 280.324 1.723 20 5 CDBDRO CC(=O)N1CC([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254541612 947517502 /nfs/dbraw/zinc/51/75/02/947517502.db2.gz IBGCXGHMKUKWKY-JTQLQIEISA-N 1 0 277.324 1.346 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC001254551807 947520675 /nfs/dbraw/zinc/52/06/75/947520675.db2.gz GANABDGCEVRGNV-COPLHBTASA-N 1 0 264.325 1.838 20 5 CDBDRO COC(=O)CCCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254585222 947540241 /nfs/dbraw/zinc/54/02/41/947540241.db2.gz LSWZYQJGYJRZSZ-CYBMUJFWSA-N 1 0 292.335 1.995 20 5 CDBDRO CN1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605074 947552189 /nfs/dbraw/zinc/55/21/89/947552189.db2.gz ZXLZNODGQSLIOR-OWCLPIDISA-N 1 0 287.363 1.840 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246564705 948281720 /nfs/dbraw/zinc/28/17/20/948281720.db2.gz YJLSKNFSHUDYHE-NQBHXWOUSA-N 1 0 263.341 1.805 20 5 CDBDRO CN(C[C@@H]1CCC[NH2+]1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246890122 948504390 /nfs/dbraw/zinc/50/43/90/948504390.db2.gz SPRFTHWXOXFDIS-ZFWWWQNUSA-N 1 0 275.352 1.746 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]21 ZINC001246922885 948522845 /nfs/dbraw/zinc/52/28/45/948522845.db2.gz XFDPVJBXSQXUQT-MPKXVKKWSA-N 1 0 261.325 1.429 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CCC[NH2+]C2)n1 ZINC001247949909 948886965 /nfs/dbraw/zinc/88/69/65/948886965.db2.gz OPXBNUJUQXPIKS-SSDOTTSWSA-N 1 0 293.258 1.646 20 5 CDBDRO COC(=O)CC(C)(C)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC001333466211 953922465 /nfs/dbraw/zinc/92/24/65/953922465.db2.gz KHDLOZFMPXNZHU-UHFFFAOYSA-N 1 0 281.312 1.763 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326134355 954231712 /nfs/dbraw/zinc/23/17/12/954231712.db2.gz WKHCHYFSTAUMCS-CYBMUJFWSA-N 1 0 292.339 1.603 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N(C)C[C@H]1CCC[N@@H+]1C ZINC001326197880 954260777 /nfs/dbraw/zinc/26/07/77/954260777.db2.gz FLJJOJFGQWOJGW-LLVKDONJSA-N 1 0 264.329 1.829 20 5 CDBDRO [NH3+][C@H]1C[C@@H](C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001326339582 954330527 /nfs/dbraw/zinc/33/05/27/954330527.db2.gz ZMVJVGAPOOUQJO-JGZJWPJOSA-N 1 0 261.281 1.174 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH3+])CC1 ZINC001326735443 954517558 /nfs/dbraw/zinc/51/75/58/954517558.db2.gz GYUOKNHSRGKRGG-UHFFFAOYSA-N 1 0 292.339 1.447 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](O)CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327546003 954927533 /nfs/dbraw/zinc/92/75/33/954927533.db2.gz IQWPLJQBTLEZOS-HNNXBMFYSA-N 1 0 293.367 1.612 20 5 CDBDRO CCC[N@H+](C)CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319133468 958391053 /nfs/dbraw/zinc/39/10/53/958391053.db2.gz OGBVLBAXHWMZDX-UHFFFAOYSA-N 1 0 277.324 1.779 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001336542618 960389087 /nfs/dbraw/zinc/38/90/87/960389087.db2.gz IODIDOKADGPWAN-LDYMZIIASA-N 1 0 277.328 1.467 20 5 CDBDRO CC(=O)OC[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001336760658 960558082 /nfs/dbraw/zinc/55/80/82/960558082.db2.gz JSBAGGMGQMLYAS-VIFPVBQESA-N 1 0 266.297 1.944 20 5 CDBDRO C[C@@H](NC(=O)N[C@@H]1C[NH2+]C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001336925308 960751308 /nfs/dbraw/zinc/75/13/08/960751308.db2.gz LBIRHWJFSSPKBL-GIPNMCIBSA-N 1 0 292.339 1.563 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001337466445 961214770 /nfs/dbraw/zinc/21/47/70/961214770.db2.gz YERALDBRZFSZHY-JTQLQIEISA-N 1 0 295.314 1.948 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)CC[C@@H]21 ZINC001339629617 962456839 /nfs/dbraw/zinc/45/68/39/962456839.db2.gz PFSQVYGDERNHHH-PWSUYJOCSA-N 1 0 291.355 1.493 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341624333 963486484 /nfs/dbraw/zinc/48/64/84/963486484.db2.gz SHKASMXGFOEHBB-MCIONIFRSA-N 1 0 289.335 1.648 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341657787 963501100 /nfs/dbraw/zinc/50/11/00/963501100.db2.gz HFMPSTLMKUEBPP-UWJYBYFXSA-N 1 0 263.297 1.162 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001342107280 963638686 /nfs/dbraw/zinc/63/86/86/963638686.db2.gz DLPCCEIUPGSRJJ-GFCCVEGCSA-N 1 0 293.323 1.331 20 5 CDBDRO CCC[C@](C)([NH3+])C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001345781164 964814605 /nfs/dbraw/zinc/81/46/05/964814605.db2.gz OZDVJOFPROEODB-AWEZNQCLSA-N 1 0 277.324 1.955 20 5 CDBDRO CC[C@H](CO)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001351141079 966865621 /nfs/dbraw/zinc/86/56/21/966865621.db2.gz CRUIUTFUYHPDMB-GFCCVEGCSA-N 1 0 250.298 1.724 20 5 CDBDRO CCCC[N@H+](C)CCNc1cc(N)c([N+](=O)[O-])cn1 ZINC001354109846 968484662 /nfs/dbraw/zinc/48/46/62/968484662.db2.gz UQZSULXRWBPXFE-UHFFFAOYSA-N 1 0 267.333 1.716 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](CO)CC2CC2)c1 ZINC001356619052 969443794 /nfs/dbraw/zinc/44/37/94/969443794.db2.gz PMVJNRWNKBKISF-WFASDCNBSA-N 1 0 294.351 1.626 20 5 CDBDRO C[NH2+]CCN(C)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001521512474 970308279 /nfs/dbraw/zinc/30/82/79/970308279.db2.gz JZTUAQZPAITEQG-STQMWFEESA-N 1 0 277.324 1.376 20 5 CDBDRO Cc1cc(NC(=O)[C@@H]2CCCN2C)cc([N+](=O)[O-])c1 ZINC001522827727 970578345 /nfs/dbraw/zinc/57/83/45/970578345.db2.gz WBALJMJKGWHELT-LBPRGKRZSA-N 1 0 263.297 1.936 20 5 CDBDRO COC(=O)c1ccnc(-n2ccc(C[NH3+])c2)c1[N+](=O)[O-] ZINC001158767497 1163562761 /nfs/dbraw/zinc/56/27/61/1163562761.db2.gz ZPSRIKVMMCUJHF-UHFFFAOYSA-N 1 0 276.252 1.026 20 5 CDBDRO Cc1c[nH]c(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000600156976 341981151 /nfs/dbraw/zinc/98/11/51/341981151.db2.gz WXHSFLXEDFQWBH-UHFFFAOYSA-N 1 0 290.327 1.660 20 5 CDBDRO Cc1ccc(C[N@@H+](C)[C@]2(CO)CCOC2)cc1[N+](=O)[O-] ZINC000600179034 341983524 /nfs/dbraw/zinc/98/35/24/341983524.db2.gz RNOSUZWJDWOXLR-AWEZNQCLSA-N 1 0 280.324 1.486 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CCCOC1 ZINC000131912765 341992346 /nfs/dbraw/zinc/99/23/46/341992346.db2.gz ZKCOYTMAEMELOH-LBPRGKRZSA-N 1 0 295.339 1.115 20 5 CDBDRO C[NH+](C)CC1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000601217546 342516170 /nfs/dbraw/zinc/51/61/70/342516170.db2.gz SZCQUUPBNMTQGH-UHFFFAOYSA-N 1 0 278.312 1.620 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1CCOc1ccccc1[N+](=O)[O-] ZINC000601330791 342554813 /nfs/dbraw/zinc/55/48/13/342554813.db2.gz XLYCYLMKEMEZHS-MNOVXSKESA-N 1 0 265.313 1.395 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000590569797 342576981 /nfs/dbraw/zinc/57/69/81/342576981.db2.gz SNNXFZWSYVWJRP-BDAKNGLRSA-N 1 0 295.368 1.833 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000237517232 342060774 /nfs/dbraw/zinc/06/07/74/342060774.db2.gz SONSIILOYLPVFS-IUCAKERBSA-N 1 0 278.312 1.129 20 5 CDBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000609132071 342091343 /nfs/dbraw/zinc/09/13/43/342091343.db2.gz FBEHVXXPMWWUTH-UHFFFAOYSA-N 1 0 280.328 1.101 20 5 CDBDRO Cc1nc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ncc1[N+](=O)[O-] ZINC000591435217 342631522 /nfs/dbraw/zinc/63/15/22/342631522.db2.gz ZWKQRTXTEMUSHT-GARJFASQSA-N 1 0 277.328 1.257 20 5 CDBDRO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC2(CCCC2)O1 ZINC000592191455 342674305 /nfs/dbraw/zinc/67/43/05/342674305.db2.gz CMVNABQWWLDTQW-GFCCVEGCSA-N 1 0 294.355 1.825 20 5 CDBDRO CC1([NH3+])CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000592331740 342685467 /nfs/dbraw/zinc/68/54/67/342685467.db2.gz YSFLIBZVGVVZBW-UHFFFAOYSA-N 1 0 293.323 1.313 20 5 CDBDRO COC(=O)c1cccc(OC[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000592165646 342671293 /nfs/dbraw/zinc/67/12/93/342671293.db2.gz DDSIGQNCXRNUKK-VIFPVBQESA-N 1 0 280.280 1.370 20 5 CDBDRO O=c1c2ccccc2n(C[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000592166159 342671423 /nfs/dbraw/zinc/67/14/23/342671423.db2.gz HHQNODPJRAQMSS-SNVBAGLBSA-N 1 0 273.292 1.519 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](C)CCO ZINC000593109459 342769263 /nfs/dbraw/zinc/76/92/63/342769263.db2.gz YMRANAXWODFYCK-SNVBAGLBSA-N 1 0 268.313 1.806 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000382462690 361932131 /nfs/dbraw/zinc/93/21/31/361932131.db2.gz XLDMMAPXHPIACT-JQWIXIFHSA-N 1 0 277.324 1.760 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCCCC[C@H]2CO)n1 ZINC000594017169 342866588 /nfs/dbraw/zinc/86/65/88/342866588.db2.gz SUADJVZITHTPGP-NSHDSACASA-N 1 0 268.317 1.028 20 5 CDBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)C1CC1 ZINC000079768099 342232795 /nfs/dbraw/zinc/23/27/95/342232795.db2.gz FIEHEJIPTJQLBB-ZDUSSCGKSA-N 1 0 250.298 1.798 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000092953217 342270441 /nfs/dbraw/zinc/27/04/41/342270441.db2.gz LLLNTMZZCISPNQ-BXKDBHETSA-N 1 0 263.297 1.209 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCCN1c1ncccc1[N+](=O)[O-] ZINC000594873684 342973096 /nfs/dbraw/zinc/97/30/96/342973096.db2.gz KWPBZMPONFILKS-NSHDSACASA-N 1 0 264.329 1.910 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCNC(C)=O ZINC000595004923 342995546 /nfs/dbraw/zinc/99/55/46/342995546.db2.gz UIZPGYOJTIVWLR-JTQLQIEISA-N 1 0 295.339 1.780 20 5 CDBDRO CNc1ccc(C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000595228793 343009272 /nfs/dbraw/zinc/00/92/72/343009272.db2.gz LYZVSLTUYMBXMT-KOLCDFICSA-N 1 0 292.339 1.446 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000565646812 365695337 /nfs/dbraw/zinc/69/53/37/365695337.db2.gz LFGDJLBZZQGKLW-JTQLQIEISA-N 1 0 280.328 1.521 20 5 CDBDRO CC[N@@H+]1CCN(Cc2onc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000595387542 343052735 /nfs/dbraw/zinc/05/27/35/343052735.db2.gz CYNAHXISGOFCHL-VIFPVBQESA-N 1 0 268.317 1.417 20 5 CDBDRO C[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000075767172 342317261 /nfs/dbraw/zinc/31/72/61/342317261.db2.gz QIIZCBOZJKMTJO-WZRBSPASSA-N 1 0 282.344 1.273 20 5 CDBDRO C[C@]1(C(N)=O)CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595466847 343071898 /nfs/dbraw/zinc/07/18/98/343071898.db2.gz NTEDRBGDQYBCPI-ZDUSSCGKSA-N 1 0 281.287 1.431 20 5 CDBDRO Cc1noc(CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595507146 343080031 /nfs/dbraw/zinc/08/00/31/343080031.db2.gz KNNVBQDWEBGOFH-JTQLQIEISA-N 1 0 294.355 1.807 20 5 CDBDRO Nc1nc(NCCC[NH2+]C2CCCCC2)ncc1[N+](=O)[O-] ZINC000076650928 342322816 /nfs/dbraw/zinc/32/28/16/342322816.db2.gz NGRPELSQWMCVHY-UHFFFAOYSA-N 1 0 294.359 1.691 20 5 CDBDRO Cc1noc(C[N@H+]2CCCC[C@H]2[C@@H](C)CO)c1[N+](=O)[O-] ZINC000595671372 343128001 /nfs/dbraw/zinc/12/80/01/343128001.db2.gz FBFFFOORTGOOEY-ONGXEEELSA-N 1 0 283.328 1.874 20 5 CDBDRO C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000595927545 343183604 /nfs/dbraw/zinc/18/36/04/343183604.db2.gz OTVSJWCASVQJRA-LSJOCFKGSA-N 1 0 263.297 1.509 20 5 CDBDRO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000595872683 343177201 /nfs/dbraw/zinc/17/72/01/343177201.db2.gz KQNSBQWBRWSKDG-DOMZBBRYSA-N 1 0 294.351 1.924 20 5 CDBDRO CCOC(=O)c1ccnc(N(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000080684694 342359147 /nfs/dbraw/zinc/35/91/47/342359147.db2.gz NPGIPTPPEAMYKJ-UHFFFAOYSA-N 1 0 296.327 1.164 20 5 CDBDRO [NH3+][C@H]1C[C@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000595950497 343194216 /nfs/dbraw/zinc/19/42/16/343194216.db2.gz FMKXCSSFIPEKAH-HAQNSBGRSA-N 1 0 289.335 1.823 20 5 CDBDRO C[C@H](CCNc1ccc(N)c([N+](=O)[O-])n1)[NH+]1CCCCC1 ZINC000596194895 343254415 /nfs/dbraw/zinc/25/44/15/343254415.db2.gz RZVUVZCFWWJUKH-LLVKDONJSA-N 1 0 293.371 1.670 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000081865279 342373129 /nfs/dbraw/zinc/37/31/29/342373129.db2.gz ZOXHEGFFRQXFKL-UHFFFAOYSA-N 1 0 290.323 1.710 20 5 CDBDRO CS[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)C[C@H]1[NH+](C)C ZINC000596177990 343249000 /nfs/dbraw/zinc/24/90/00/343249000.db2.gz KHMDAVBJCQUKSR-NXEZZACHSA-N 1 0 297.384 1.054 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000596243468 343285316 /nfs/dbraw/zinc/28/53/16/343285316.db2.gz GHYKSIDHMRJDBB-MWLCHTKSSA-N 1 0 250.302 1.519 20 5 CDBDRO Cc1cc(N2CC(C[NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000596248405 343273777 /nfs/dbraw/zinc/27/37/77/343273777.db2.gz WZGRHWOMIZUSFL-UHFFFAOYSA-N 1 0 255.343 1.963 20 5 CDBDRO CC(C)Oc1nc(NCC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596431602 343319668 /nfs/dbraw/zinc/31/96/68/343319668.db2.gz PPGNZXRUKSCXNA-LLVKDONJSA-N 1 0 296.371 1.951 20 5 CDBDRO O=C1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@@H]2CCCCN12 ZINC000453625663 252329548 /nfs/dbraw/zinc/32/95/48/252329548.db2.gz LCLNUXFTWQBWLG-GXTWGEPZSA-N 1 0 289.335 1.838 20 5 CDBDRO COc1cccc(C(=O)N2CC(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000597708840 343606613 /nfs/dbraw/zinc/60/66/13/343606613.db2.gz POAQLTIDNWTGHG-UHFFFAOYSA-N 1 0 293.323 1.237 20 5 CDBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000598265396 343744718 /nfs/dbraw/zinc/74/47/18/343744718.db2.gz SOKBQOGCVLKHQZ-NSHDSACASA-N 1 0 294.355 1.773 20 5 CDBDRO C[NH2+]C1(CNc2nc3sccn3c2[N+](=O)[O-])CCC1 ZINC000598636691 343863330 /nfs/dbraw/zinc/86/33/30/343863330.db2.gz ZSFPMAQYYNSGPJ-UHFFFAOYSA-N 1 0 281.341 1.858 20 5 CDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 ZINC000598668062 343871156 /nfs/dbraw/zinc/87/11/56/343871156.db2.gz OVIYKTMVPGJONB-QPUJVOFHSA-N 1 0 265.269 1.141 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598668618 343871747 /nfs/dbraw/zinc/87/17/47/343871747.db2.gz BWUGLFPCPYFMLW-ABAIWWIYSA-N 1 0 289.335 1.857 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598915934 343919992 /nfs/dbraw/zinc/91/99/92/343919992.db2.gz QUEYLFXMSUOBHC-QMMMGPOBSA-N 1 0 282.275 1.546 20 5 CDBDRO C[C@](C[NH3+])(NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000598915817 343920042 /nfs/dbraw/zinc/92/00/42/343920042.db2.gz QILKRYIHWACOEE-CYBMUJFWSA-N 1 0 296.302 1.983 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CCC[NH2+]C1 ZINC000598916240 343920159 /nfs/dbraw/zinc/92/01/59/343920159.db2.gz UJYZEKASYFTEAI-MRVPVSSYSA-N 1 0 282.275 1.607 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1CC[NH2+]CC1 ZINC000598917044 343920609 /nfs/dbraw/zinc/92/06/09/343920609.db2.gz RGANMLWIJJQSLZ-UHFFFAOYSA-N 1 0 282.275 1.607 20 5 CDBDRO Cc1nc(N[C@H](C)C2=CC[N@H+](C)CC2)ncc1[N+](=O)[O-] ZINC000295084744 199337138 /nfs/dbraw/zinc/33/71/38/199337138.db2.gz ROCUIYHRYSQBJA-SECBINFHSA-N 1 0 277.328 1.756 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@H]2O)cc1[N+](=O)[O-] ZINC000599081501 343957076 /nfs/dbraw/zinc/95/70/76/343957076.db2.gz NJNSXJWWRSMATP-ZKYQVNSYSA-N 1 0 280.324 1.704 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601559696 344191490 /nfs/dbraw/zinc/19/14/90/344191490.db2.gz VVKHJZGQCJIPPE-GXTWGEPZSA-N 1 0 289.335 1.809 20 5 CDBDRO C[C@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000602149977 344352117 /nfs/dbraw/zinc/35/21/17/344352117.db2.gz DFLALGCCMHRHEZ-LLVKDONJSA-N 1 0 279.340 1.546 20 5 CDBDRO [NH3+]CC1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000602425338 344421694 /nfs/dbraw/zinc/42/16/94/344421694.db2.gz QIWHSOUZUZVBQB-UHFFFAOYSA-N 1 0 281.287 1.545 20 5 CDBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3CCOC3)nc2c1 ZINC000602512607 344459754 /nfs/dbraw/zinc/45/97/54/344459754.db2.gz WAJACPBDXBVNTI-VIFPVBQESA-N 1 0 277.280 1.862 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602514430 344460245 /nfs/dbraw/zinc/46/02/45/344460245.db2.gz MVYNCDZKCIKPIN-YUMQZZPRSA-N 1 0 269.276 1.590 20 5 CDBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602686937 344531766 /nfs/dbraw/zinc/53/17/66/344531766.db2.gz SKZMKRLJGOKOJC-NEPJUHHUSA-N 1 0 277.324 1.381 20 5 CDBDRO C[NH+](C)C1(CNCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602696369 344543493 /nfs/dbraw/zinc/54/34/93/344543493.db2.gz QLNKRCRACALXFJ-UHFFFAOYSA-N 1 0 290.323 1.920 20 5 CDBDRO CO[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602896262 344652521 /nfs/dbraw/zinc/65/25/21/344652521.db2.gz JIGLXNXTNWNAEC-ZDUSSCGKSA-N 1 0 282.296 1.278 20 5 CDBDRO CC[C@](C)([NH3+])c1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000603203293 344734724 /nfs/dbraw/zinc/73/47/24/344734724.db2.gz NDKMCLHFUIMHKL-ZDUSSCGKSA-N 1 0 293.302 1.958 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)c1 ZINC000602997557 344684189 /nfs/dbraw/zinc/68/41/89/344684189.db2.gz MONMQLOKTNVKBP-MCIONIFRSA-N 1 0 294.355 1.417 20 5 CDBDRO C[NH2+]Cc1cn(Cc2cc(OC)c(F)cc2[N+](=O)[O-])nn1 ZINC000603238519 344757566 /nfs/dbraw/zinc/75/75/66/344757566.db2.gz NWMFUTPLVNYQNT-UHFFFAOYSA-N 1 0 295.274 1.102 20 5 CDBDRO COc1cc([N+](=O)[O-])cn(CCCc2cncn2C)c1=O ZINC000603360209 344783567 /nfs/dbraw/zinc/78/35/67/344783567.db2.gz WRCUUFHVFPNHKA-UHFFFAOYSA-N 1 0 292.295 1.131 20 5 CDBDRO Cc1ccc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000319980181 345052227 /nfs/dbraw/zinc/05/22/27/345052227.db2.gz DMMBYPHEGUZDDN-ZJUUUORDSA-N 1 0 265.313 1.759 20 5 CDBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ncc([N+](=O)[O-])s3)C2)C1 ZINC000292773151 362505151 /nfs/dbraw/zinc/50/51/51/362505151.db2.gz LFUQMXKSPOOMSM-GFCCVEGCSA-N 1 0 282.369 1.973 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](O)CC2)cc1 ZINC000293196380 362538796 /nfs/dbraw/zinc/53/87/96/362538796.db2.gz QMZWGFRYBKEWDW-ZDUSSCGKSA-N 1 0 250.298 1.942 20 5 CDBDRO CCC(CC)[N@H+](CC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000344050281 362540091 /nfs/dbraw/zinc/54/00/91/362540091.db2.gz ZYDMVTJNWZHNDR-CYBMUJFWSA-N 1 0 284.360 1.663 20 5 CDBDRO C[NH+](C)C(C)(C)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000041297308 345107243 /nfs/dbraw/zinc/10/72/43/345107243.db2.gz ZDHLWNUOHJORHO-UHFFFAOYSA-N 1 0 265.313 1.665 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnc3cnccn23)cc1 ZINC000344205604 362555304 /nfs/dbraw/zinc/55/53/04/362555304.db2.gz DCCZEXRFIFNTNF-UHFFFAOYSA-N 1 0 297.318 1.970 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC([NH+]2CCCCC2)CC1 ZINC000052428308 345243123 /nfs/dbraw/zinc/24/31/23/345243123.db2.gz URDFIRXZQLKMEZ-UHFFFAOYSA-N 1 0 293.371 1.783 20 5 CDBDRO C[C@@]1(NC(=O)c2csc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000230733662 345441104 /nfs/dbraw/zinc/44/11/04/345441104.db2.gz QNCYTMNESBIEDZ-SNVBAGLBSA-N 1 0 255.299 1.138 20 5 CDBDRO CC(C)([NH3+])CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000129659342 345775504 /nfs/dbraw/zinc/77/55/04/345775504.db2.gz NFERJPVPKYAIGU-UHFFFAOYSA-N 1 0 261.285 1.687 20 5 CDBDRO CC[NH+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000609848464 346006610 /nfs/dbraw/zinc/00/66/10/346006610.db2.gz LPLCZFRDNZUVTR-UHFFFAOYSA-N 1 0 287.323 1.680 20 5 CDBDRO Cc1nc(N(C)[C@H](C)C2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000295129423 199360551 /nfs/dbraw/zinc/36/05/51/199360551.db2.gz XYGAVNOSAHKCAY-LLVKDONJSA-N 1 0 293.371 1.860 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000085365155 179036071 /nfs/dbraw/zinc/03/60/71/179036071.db2.gz KPYOLAMLYWHFGM-NWDGAFQWSA-N 1 0 263.297 1.338 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)[NH+](C)C ZINC000610559959 346310287 /nfs/dbraw/zinc/31/02/87/346310287.db2.gz CAOYFFGNXCREGH-VIFPVBQESA-N 1 0 281.312 1.170 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cn[nH]c3)C2)nc1 ZINC000611272518 346732393 /nfs/dbraw/zinc/73/23/93/346732393.db2.gz WBBNMOJRXVSLCF-LLVKDONJSA-N 1 0 288.311 1.399 20 5 CDBDRO Cc1cscc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000094880995 347747711 /nfs/dbraw/zinc/74/77/11/347747711.db2.gz RRQXGHPINSJGBD-LBPRGKRZSA-N 1 0 296.352 1.312 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000086467500 179297896 /nfs/dbraw/zinc/29/78/96/179297896.db2.gz UUIIFTBIZTXWNL-WDEREUQCSA-N 1 0 277.324 1.346 20 5 CDBDRO COc1ccc(C[N@H+](CCO)CC2CC2)cc1[N+](=O)[O-] ZINC000064516071 348942975 /nfs/dbraw/zinc/94/29/75/348942975.db2.gz NWSYHBRFZKVWEL-UHFFFAOYSA-N 1 0 280.324 1.808 20 5 CDBDRO Cc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000089183812 179746080 /nfs/dbraw/zinc/74/60/80/179746080.db2.gz FNYVYYMBZVPWCE-UHFFFAOYSA-N 1 0 260.297 1.927 20 5 CDBDRO CCCC[C@@H](COC)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090538836 180000098 /nfs/dbraw/zinc/00/00/98/180000098.db2.gz PCFWMCFMUSGWSE-NSHDSACASA-N 1 0 270.333 1.586 20 5 CDBDRO COCC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090548993 180001754 /nfs/dbraw/zinc/00/17/54/180001754.db2.gz NXFWFGGLURKOMG-UHFFFAOYSA-N 1 0 295.339 1.115 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000090848263 180044225 /nfs/dbraw/zinc/04/42/25/180044225.db2.gz ZKABKKVQQPIOJF-BXUZGUMPSA-N 1 0 280.324 1.705 20 5 CDBDRO COCC[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000105832368 186076759 /nfs/dbraw/zinc/07/67/59/186076759.db2.gz PFYRVPMGXOCGAY-ZDUSSCGKSA-N 1 0 293.367 1.747 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000161403156 362957301 /nfs/dbraw/zinc/95/73/01/362957301.db2.gz HAGFABYCVHXORV-VXGBXAGGSA-N 1 0 277.324 1.523 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCC[C@H]1CCC[NH2+]C1 ZINC000110791980 186324789 /nfs/dbraw/zinc/32/47/89/186324789.db2.gz UVCJCIQYONCFSQ-GFCCVEGCSA-N 1 0 291.351 1.643 20 5 CDBDRO CC(C)(CCC[NH3+])NC(=O)c1ccccc1[N+](=O)[O-] ZINC000311605247 350699298 /nfs/dbraw/zinc/69/92/98/350699298.db2.gz DHKCBAJCGRZZEG-UHFFFAOYSA-N 1 0 265.313 1.842 20 5 CDBDRO COc1ccc(C[N@H+](C)C[C@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000079767476 350965516 /nfs/dbraw/zinc/96/55/16/350965516.db2.gz ODRJBRJIEAFHPP-ZDUSSCGKSA-N 1 0 280.324 1.806 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000156095293 351451300 /nfs/dbraw/zinc/45/13/00/351451300.db2.gz BYCDPVXNUBSGCG-VHSXEESVSA-N 1 0 278.312 1.938 20 5 CDBDRO COc1ccc(NC(=O)[C@H]2CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000136478268 363112505 /nfs/dbraw/zinc/11/25/05/363112505.db2.gz XKVOPOZDGMJBSH-WPRPVWTQSA-N 1 0 279.296 1.540 20 5 CDBDRO Cc1c(C(=O)NC[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000133690394 187701370 /nfs/dbraw/zinc/70/13/70/187701370.db2.gz NCBCLQMANBOECY-JTQLQIEISA-N 1 0 263.297 1.243 20 5 CDBDRO C[C@H](CCCC[NH3+])NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000292060995 198148332 /nfs/dbraw/zinc/14/83/32/198148332.db2.gz KCENQZUGXFKDRB-LLVKDONJSA-N 1 0 279.340 1.771 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000135220268 187808693 /nfs/dbraw/zinc/80/86/93/187808693.db2.gz MVHOOMWTNZYCOO-VIFPVBQESA-N 1 0 281.287 1.463 20 5 CDBDRO C[NH2+]CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000151273346 187955372 /nfs/dbraw/zinc/95/53/72/187955372.db2.gz YOCGXXOXWMPXMV-UHFFFAOYSA-N 1 0 296.283 1.069 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CCC[NH3+] ZINC000295163538 199380743 /nfs/dbraw/zinc/38/07/43/199380743.db2.gz FDLZYLYZIUHLSR-SNVBAGLBSA-N 1 0 265.313 1.760 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000152878169 188049738 /nfs/dbraw/zinc/04/97/38/188049738.db2.gz DKFPBGLMZXLYGJ-PHIMTYICSA-N 1 0 250.302 1.523 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000156588717 188271441 /nfs/dbraw/zinc/27/14/41/188271441.db2.gz IAOVQNYKIUIDFI-UWVGGRQHSA-N 1 0 265.313 1.537 20 5 CDBDRO CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccco1 ZINC000157388139 188313557 /nfs/dbraw/zinc/31/35/57/188313557.db2.gz UAFROAMUXDKYRQ-UHFFFAOYSA-N 1 0 250.258 1.516 20 5 CDBDRO [NH3+]C1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000157636222 188329549 /nfs/dbraw/zinc/32/95/49/188329549.db2.gz ZUXMLIWLWQKNNI-UHFFFAOYSA-N 1 0 297.286 1.062 20 5 CDBDRO CCCC[N@H+](C)CCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420599991 535226000 /nfs/dbraw/zinc/22/60/00/535226000.db2.gz LJYTXTJKUWNEJJ-UHFFFAOYSA-N 1 0 294.355 1.838 20 5 CDBDRO COC1(C)CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000271699248 191282218 /nfs/dbraw/zinc/28/22/18/191282218.db2.gz GXIMWQXXXBOCPY-UHFFFAOYSA-N 1 0 295.339 1.257 20 5 CDBDRO COc1cc(C(=O)NCC[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000063169965 363277747 /nfs/dbraw/zinc/27/77/47/363277747.db2.gz CVNLOPRFJDRVPC-MRVPVSSYSA-N 1 0 297.311 1.079 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000168717142 188651636 /nfs/dbraw/zinc/65/16/36/188651636.db2.gz GBTMJYFABKISBR-CMPLNLGQSA-N 1 0 277.324 1.333 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094339344 366225103 /nfs/dbraw/zinc/22/51/03/366225103.db2.gz YQWBXEBGWPEUEV-ZWNOBZJWSA-N 1 0 277.324 1.713 20 5 CDBDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000411944801 363384423 /nfs/dbraw/zinc/38/44/23/363384423.db2.gz RFWZDJJWMACZRZ-LBPRGKRZSA-N 1 0 277.324 1.505 20 5 CDBDRO Cc1nc(N2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000268505255 356165161 /nfs/dbraw/zinc/16/51/61/356165161.db2.gz QTVSVDLUFKVGKF-UHFFFAOYSA-N 1 0 264.329 1.829 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2CCO)c1 ZINC000286121622 356218707 /nfs/dbraw/zinc/21/87/07/356218707.db2.gz MFELCNLFSKZQIL-NILFDRSVSA-N 1 0 294.351 1.769 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](CO)C(C)(C)C ZINC000134396511 356236051 /nfs/dbraw/zinc/23/60/51/356236051.db2.gz FKMGECVTTZPLGU-SNVBAGLBSA-N 1 0 270.333 1.130 20 5 CDBDRO CCOc1cccc(NCCN2CCOCC2)c1[N+](=O)[O-] ZINC000134902642 356454058 /nfs/dbraw/zinc/45/40/58/356454058.db2.gz FBTBFOGUTWOXMJ-UHFFFAOYSA-N 1 0 295.339 1.738 20 5 CDBDRO CN(C)CC[N@H+](C)CCCN(C)c1ccccc1[N+](=O)[O-] ZINC000341048900 366313690 /nfs/dbraw/zinc/31/36/90/366313690.db2.gz NGBLBBKTOUSJRM-UHFFFAOYSA-N 1 0 294.399 1.915 20 5 CDBDRO Cc1c(C[N@@H+]2CCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000050116727 357231432 /nfs/dbraw/zinc/23/14/32/357231432.db2.gz AGHKVHSDZDFEQZ-GFCCVEGCSA-N 1 0 250.298 1.860 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261633231 357261283 /nfs/dbraw/zinc/26/12/83/357261283.db2.gz WDWBQAVVOOZTDA-GXSJLCMTSA-N 1 0 265.288 1.922 20 5 CDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000261649714 357268783 /nfs/dbraw/zinc/26/87/83/357268783.db2.gz HFSYPTQVAXZCIK-JTQLQIEISA-N 1 0 266.301 1.041 20 5 CDBDRO COc1cccc(NC[C@H]([NH3+])C2CC2)c1[N+](=O)[O-] ZINC000135058729 357312125 /nfs/dbraw/zinc/31/21/25/357312125.db2.gz QQNDUPAFFMDYQP-VIFPVBQESA-N 1 0 251.286 1.753 20 5 CDBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(C)([NH3+])CC1 ZINC001579608228 1172221713 /nfs/dbraw/zinc/22/17/13/1172221713.db2.gz NJEXFQOCPYBWCS-UHFFFAOYSA-N 1 0 295.314 1.996 20 5 CDBDRO COc1ccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000566250642 357440205 /nfs/dbraw/zinc/44/02/05/357440205.db2.gz BCKCGMGASJAXFO-OCAPTIKFSA-N 1 0 265.269 1.279 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000186730230 357679659 /nfs/dbraw/zinc/67/96/59/357679659.db2.gz ZIZNFNYATSGQAB-GMSGAONNSA-N 1 0 296.302 1.044 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000135212331 357770522 /nfs/dbraw/zinc/77/05/22/357770522.db2.gz RKUCZTYFOXTZBK-CYBMUJFWSA-N 1 0 291.351 1.595 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135238859 357802636 /nfs/dbraw/zinc/80/26/36/357802636.db2.gz FWWFNDITRBZMRO-DGCLKSJQSA-N 1 0 277.324 1.381 20 5 CDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408070038 357804457 /nfs/dbraw/zinc/80/44/57/357804457.db2.gz DSQOQLKCFHHPPE-ZYHUDNBSSA-N 1 0 292.339 1.622 20 5 CDBDRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000184805458 283347168 /nfs/dbraw/zinc/34/71/68/283347168.db2.gz AKSVUWOGGGKCSE-KBPBESRZSA-N 1 0 291.351 1.771 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000277453147 366467088 /nfs/dbraw/zinc/46/70/88/366467088.db2.gz GQQSXECXAXXLLY-XPMWWOIKSA-N 1 0 289.335 1.817 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000408275651 358860340 /nfs/dbraw/zinc/86/03/40/358860340.db2.gz CLSPEILALPIFGE-UHFFFAOYSA-N 1 0 296.302 1.903 20 5 CDBDRO COc1ccc(C[NH2+]C[C@@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000342212371 358966261 /nfs/dbraw/zinc/96/62/61/358966261.db2.gz NMIPPDJEHDHSFD-LBPRGKRZSA-N 1 0 282.340 1.958 20 5 CDBDRO Cc1cc(N(C)CC(N)=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302715135 358919500 /nfs/dbraw/zinc/91/95/00/358919500.db2.gz FOVSLFMGTFGWLA-UHFFFAOYSA-N 1 0 274.280 1.373 20 5 CDBDRO C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000451103350 359035506 /nfs/dbraw/zinc/03/55/06/359035506.db2.gz NEJRZSQNRPEVAZ-STQMWFEESA-N 1 0 293.367 1.966 20 5 CDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000106882173 359010539 /nfs/dbraw/zinc/01/05/39/359010539.db2.gz SUQBJWGPHCFDQN-NSHDSACASA-N 1 0 266.297 1.694 20 5 CDBDRO COc1cc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000159423843 359108187 /nfs/dbraw/zinc/10/81/87/359108187.db2.gz CHTVNTGVCDIDDF-VHSXEESVSA-N 1 0 293.323 1.413 20 5 CDBDRO CNc1ccc(C(=O)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000569603767 359251300 /nfs/dbraw/zinc/25/13/00/359251300.db2.gz XOSGWKBOOLLXOV-SNVBAGLBSA-N 1 0 278.312 1.118 20 5 CDBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCCO)CC2)c1 ZINC000051855701 359303781 /nfs/dbraw/zinc/30/37/81/359303781.db2.gz OFRSLPRZAGMXHH-UHFFFAOYSA-N 1 0 265.313 1.099 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](O)COCC1CC1 ZINC000050015746 359274830 /nfs/dbraw/zinc/27/48/30/359274830.db2.gz VQYHACNWVGGGHN-ZDUSSCGKSA-N 1 0 280.324 1.472 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000000244271 359384082 /nfs/dbraw/zinc/38/40/82/359384082.db2.gz HJCKVQGTMRZSKI-ZDUSSCGKSA-N 1 0 280.324 1.820 20 5 CDBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000159458333 359484424 /nfs/dbraw/zinc/48/44/24/359484424.db2.gz WAMCBJNEOBTFNF-UHFFFAOYSA-N 1 0 277.324 1.986 20 5 CDBDRO Nc1c(C(=O)NCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000157306035 237100220 /nfs/dbraw/zinc/10/02/20/237100220.db2.gz NNOVZFAXGKXJEC-UHFFFAOYSA-N 1 0 278.312 1.003 20 5 CDBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000297003378 200059795 /nfs/dbraw/zinc/05/97/95/200059795.db2.gz GAJIAYDEVIPSSS-LLVKDONJSA-N 1 0 279.344 1.980 20 5 CDBDRO COc1ccc(C[N@H+](C)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000135615661 359781027 /nfs/dbraw/zinc/78/10/27/359781027.db2.gz RUPQBSJOVOPQHG-SECBINFHSA-N 1 0 254.286 1.416 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000044540924 283499023 /nfs/dbraw/zinc/49/90/23/283499023.db2.gz BTLHILNPIDAMPN-GFCCVEGCSA-N 1 0 263.297 1.548 20 5 CDBDRO C[N@@H+]1CCCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000297943192 200307560 /nfs/dbraw/zinc/30/75/60/200307560.db2.gz SDQVRVZRMKTXML-UHFFFAOYSA-N 1 0 279.340 1.611 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[NH2+]CC1 ZINC000237880802 360050325 /nfs/dbraw/zinc/05/03/25/360050325.db2.gz NSMPEXMPJDVGKB-UHFFFAOYSA-N 1 0 286.291 1.188 20 5 CDBDRO O=C(NCC1=CC[NH2+]CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000169271740 360173881 /nfs/dbraw/zinc/17/38/81/360173881.db2.gz PYLHMGWRFNSVNG-UHFFFAOYSA-N 1 0 295.726 1.898 20 5 CDBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@@H]1[NH+](C)C ZINC000270411802 360490976 /nfs/dbraw/zinc/49/09/76/360490976.db2.gz XPJHRHLQVXKTGG-WDEREUQCSA-N 1 0 282.369 1.472 20 5 CDBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000348160396 360534122 /nfs/dbraw/zinc/53/41/22/360534122.db2.gz PALJDHRQBGEYLR-AAEUAGOBSA-N 1 0 295.314 1.738 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[NH2+]1 ZINC000178724054 189140772 /nfs/dbraw/zinc/14/07/72/189140772.db2.gz AQTQMNBHBIKIQF-LBPRGKRZSA-N 1 0 277.324 1.396 20 5 CDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[NH2+]CC1 ZINC000147982978 360753827 /nfs/dbraw/zinc/75/38/27/360753827.db2.gz JEFBHEXPAXQGQY-UHFFFAOYSA-N 1 0 267.260 1.169 20 5 CDBDRO CCCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1CC[NH2+]C1 ZINC000178899774 189153676 /nfs/dbraw/zinc/15/36/76/189153676.db2.gz XIZPLSRWBXAOLR-SNVBAGLBSA-N 1 0 292.339 1.391 20 5 CDBDRO COC[C@@H](CCO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000219142280 360806202 /nfs/dbraw/zinc/80/62/02/360806202.db2.gz RBYICZMBYQPVCD-LLVKDONJSA-N 1 0 284.312 1.090 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000178978877 189158763 /nfs/dbraw/zinc/15/87/63/189158763.db2.gz IIKLSUIPTWDNEI-LLVKDONJSA-N 1 0 293.323 1.042 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H]3CCCC[C@@H]3C2)n1 ZINC000177519235 238309327 /nfs/dbraw/zinc/30/93/27/238309327.db2.gz HDZCQHIKSUOHMG-TXEJJXNPSA-N 1 0 264.329 1.913 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+]CC2OCCO2)cc1[N+](=O)[O-] ZINC000180267148 189247341 /nfs/dbraw/zinc/24/73/41/189247341.db2.gz XBNPGCUEULONIM-JTQLQIEISA-N 1 0 266.297 1.927 20 5 CDBDRO CC(C)(C)[C@@H](CO)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000180635089 189266690 /nfs/dbraw/zinc/26/66/90/189266690.db2.gz ZNOVQXRCZNGEBD-CYBMUJFWSA-N 1 0 282.340 1.970 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000248571115 361249228 /nfs/dbraw/zinc/24/92/28/361249228.db2.gz CQBCNCJSFLCHQA-KWCYVHTRSA-N 1 0 289.335 1.333 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000237328875 361240703 /nfs/dbraw/zinc/24/07/03/361240703.db2.gz UVZIZPGIEUIFPN-JTQLQIEISA-N 1 0 265.313 1.238 20 5 CDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)CC[NH+](C)C ZINC000301379050 200993054 /nfs/dbraw/zinc/99/30/54/200993054.db2.gz SSQFTLGHVURCGM-JTQLQIEISA-N 1 0 294.355 1.707 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000168695721 361381038 /nfs/dbraw/zinc/38/10/38/361381038.db2.gz QCBOIIQZPQZROQ-JQWIXIFHSA-N 1 0 277.324 1.713 20 5 CDBDRO Cc1nc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000294828904 361413143 /nfs/dbraw/zinc/41/31/43/361413143.db2.gz AJIRSOYOQUHYTJ-CMPLNLGQSA-N 1 0 291.355 1.756 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2COCCO2)c1 ZINC000037998092 361523057 /nfs/dbraw/zinc/52/30/57/361523057.db2.gz FMVGQQBHBJLJSL-GFCCVEGCSA-N 1 0 252.270 1.100 20 5 CDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)C[C@@H]12 ZINC000185083761 189403149 /nfs/dbraw/zinc/40/31/49/189403149.db2.gz MXGIGUHEKRLOLO-FXBDTBDDSA-N 1 0 281.337 1.466 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248605964 361686289 /nfs/dbraw/zinc/68/62/89/361686289.db2.gz JXTXZHKBTWTJJF-BPNCWPANSA-N 1 0 289.335 1.713 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCCCCO)C2)nc1 ZINC000304311082 239356339 /nfs/dbraw/zinc/35/63/39/239356339.db2.gz MBHADFVBHAOJPE-LBPRGKRZSA-N 1 0 294.355 1.639 20 5 CDBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](CCn4ccc([N+](=O)[O-])n4)[C@H]1[C@H]3C2 ZINC000367598841 364001342 /nfs/dbraw/zinc/00/13/42/364001342.db2.gz ACJHFWHYXNUQAU-NARNDRFESA-N 1 0 292.339 1.147 20 5 CDBDRO C[C@@H](O)CCC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000581608151 364011141 /nfs/dbraw/zinc/01/11/41/364011141.db2.gz NVWLVTHPLRAELJ-YPMHNXCESA-N 1 0 298.339 1.085 20 5 CDBDRO C[C@@]1(CO)CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000545398240 364073132 /nfs/dbraw/zinc/07/31/32/364073132.db2.gz DZYISXINXJWWIG-AWEZNQCLSA-N 1 0 264.325 1.984 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000088147685 364263095 /nfs/dbraw/zinc/26/30/95/364263095.db2.gz QDAYPDMKQYEDHQ-JTQLQIEISA-N 1 0 263.297 1.467 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000104218696 364801531 /nfs/dbraw/zinc/80/15/31/364801531.db2.gz IJJDDTCRDSUSIB-SECBINFHSA-N 1 0 267.285 1.071 20 5 CDBDRO Cc1nc(NC[C@H](C)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000268500327 364792300 /nfs/dbraw/zinc/79/23/00/364792300.db2.gz QCDAVPOUUICWPL-NSHDSACASA-N 1 0 293.371 1.346 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149253758 364837683 /nfs/dbraw/zinc/83/76/83/364837683.db2.gz RRKWPTOQYVYAJK-UHFFFAOYSA-N 1 0 285.731 1.930 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1-c1nc(C2([NH3+])CCC2)no1 ZINC000414632162 241285289 /nfs/dbraw/zinc/28/52/89/241285289.db2.gz YPNSUXCIXUNRHD-UHFFFAOYSA-N 1 0 290.279 1.991 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000414664092 241309981 /nfs/dbraw/zinc/30/99/81/241309981.db2.gz SZBPZHKUHRGHAR-JTQLQIEISA-N 1 0 278.312 1.729 20 5 CDBDRO C[N@H+]1CC=C(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000271939949 367038093 /nfs/dbraw/zinc/03/80/93/367038093.db2.gz WQMRJLKIJICJQQ-UHFFFAOYSA-N 1 0 293.298 1.726 20 5 CDBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320674 367030992 /nfs/dbraw/zinc/03/09/92/367030992.db2.gz DOXBLZOAGGUEGT-DTORHVGOSA-N 1 0 295.726 1.540 20 5 CDBDRO [NH3+]CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414944890 241476740 /nfs/dbraw/zinc/47/67/40/241476740.db2.gz HMSBYAUMMKORJN-UHFFFAOYSA-N 1 0 290.226 1.276 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000269124423 367161026 /nfs/dbraw/zinc/16/10/26/367161026.db2.gz LIYQMHUOCNAGPP-SECBINFHSA-N 1 0 275.264 1.514 20 5 CDBDRO Cc1cc(NC(=O)NCC2=CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000415441863 241684285 /nfs/dbraw/zinc/68/42/85/241684285.db2.gz SOICGWXQLOFNTQ-UHFFFAOYSA-N 1 0 290.323 1.944 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000272198845 367310334 /nfs/dbraw/zinc/31/03/34/367310334.db2.gz GFZZZVRMWXSUNR-HTQZYQBOSA-N 1 0 296.302 1.125 20 5 CDBDRO Cc1ccc(CN(C)[C@H]2COC[C@@H]2O)cc1[N+](=O)[O-] ZINC000348639750 367598276 /nfs/dbraw/zinc/59/82/76/367598276.db2.gz DTFUKAHUTALXCQ-STQMWFEESA-N 1 0 266.297 1.095 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1cc(F)ccc1[N+](=O)[O-] ZINC000053252961 283976921 /nfs/dbraw/zinc/97/69/21/283976921.db2.gz VHFWPVRWJHJKQY-VIFPVBQESA-N 1 0 267.260 1.216 20 5 CDBDRO COc1ccc(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000269273721 368177825 /nfs/dbraw/zinc/17/78/25/368177825.db2.gz YHXZYGILVHUSRG-QWRGUYRKSA-N 1 0 293.323 1.347 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418392542 243022514 /nfs/dbraw/zinc/02/25/14/243022514.db2.gz ZPETXYRQICFNMF-LBPRGKRZSA-N 1 0 292.339 1.488 20 5 CDBDRO C[NH+](C)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000330559371 202972288 /nfs/dbraw/zinc/97/22/88/202972288.db2.gz IFRWFQCNTZKYQT-UHFFFAOYSA-N 1 0 277.324 1.761 20 5 CDBDRO C[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000414945663 370913884 /nfs/dbraw/zinc/91/38/84/370913884.db2.gz IOWHCYWCBMLCEY-MWLCHTKSSA-N 1 0 267.304 1.964 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000420232223 243954624 /nfs/dbraw/zinc/95/46/24/243954624.db2.gz BOBJWWFLPJHHND-HTQZYQBOSA-N 1 0 254.265 1.811 20 5 CDBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330660679 203090972 /nfs/dbraw/zinc/09/09/72/203090972.db2.gz QYONVYIAOVNYRB-LOWVWBTDSA-N 1 0 282.344 1.415 20 5 CDBDRO C[NH2+]CCN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000420339227 244108419 /nfs/dbraw/zinc/10/84/19/244108419.db2.gz PNXMLAQIFCIQPT-UHFFFAOYSA-N 1 0 253.302 1.125 20 5 CDBDRO C[NH2+]CCN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000420339245 244109923 /nfs/dbraw/zinc/10/99/23/244109923.db2.gz PROUEYAYLFNVKJ-LLVKDONJSA-N 1 0 294.355 1.381 20 5 CDBDRO COc1ccc(C[NH2+]C2CCN(OC)CC2)cc1[N+](=O)[O-] ZINC000421403789 244694005 /nfs/dbraw/zinc/69/40/05/244694005.db2.gz XWCTYPIMOSUZBV-UHFFFAOYSA-N 1 0 295.339 1.719 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000161315198 369881465 /nfs/dbraw/zinc/88/14/65/369881465.db2.gz LQCBDZFRGZWTPH-GHMZBOCLSA-N 1 0 293.323 1.360 20 5 CDBDRO Cc1nc(N2CC[C@]3(CC[N@@H+](C)C3)C2)ncc1[N+](=O)[O-] ZINC000295685795 370572115 /nfs/dbraw/zinc/57/21/15/370572115.db2.gz NBCQZUPFFFKWEO-ZDUSSCGKSA-N 1 0 277.328 1.225 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000168708360 371047086 /nfs/dbraw/zinc/04/70/86/371047086.db2.gz SFAURHSTINLFIC-BKVNPXPRSA-N 1 0 289.335 1.804 20 5 CDBDRO C[NH2+]CCCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000422733500 245192224 /nfs/dbraw/zinc/19/22/24/245192224.db2.gz QWSUHLQLSGUWOM-UHFFFAOYSA-N 1 0 281.312 1.251 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)C2([NH3+])CC2)cc1[N+](=O)[O-] ZINC000237547783 371201828 /nfs/dbraw/zinc/20/18/28/371201828.db2.gz VFRIEEIUJKJHNM-VIFPVBQESA-N 1 0 263.297 1.572 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269667597 373527259 /nfs/dbraw/zinc/52/72/59/373527259.db2.gz SYWJFCUPOYOFKZ-CABCVRRESA-N 1 0 293.367 1.654 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000441611396 373610566 /nfs/dbraw/zinc/61/05/66/373610566.db2.gz MWUFNCGRLACSRF-QMMMGPOBSA-N 1 0 277.280 1.666 20 5 CDBDRO Cc1c(C(=O)NC[C@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000441619919 373722543 /nfs/dbraw/zinc/72/25/43/373722543.db2.gz KMZCMKYPRRMTMQ-MRVPVSSYSA-N 1 0 251.286 1.228 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCCC[NH2+]C1CC1 ZINC000036262865 373891737 /nfs/dbraw/zinc/89/17/37/373891737.db2.gz SHLXTRCHBBDOQZ-UHFFFAOYSA-N 1 0 277.324 1.396 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCO[C@H]2C2CC2)c1 ZINC000368463259 373841154 /nfs/dbraw/zinc/84/11/54/373841154.db2.gz UASVEFYOVLMEKW-KFWWJZLASA-N 1 0 292.335 1.785 20 5 CDBDRO CC(C)[C@H](CCO)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000274143579 374138588 /nfs/dbraw/zinc/13/85/88/374138588.db2.gz ZUIQQFJOFKUOAV-LBPRGKRZSA-N 1 0 282.340 1.970 20 5 CDBDRO O=C(C[C@@H]1CCC[NH2+]1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423731346 246010826 /nfs/dbraw/zinc/01/08/26/246010826.db2.gz XTYGUVQIXVHICB-QMMMGPOBSA-N 1 0 289.295 1.552 20 5 CDBDRO C[C@H](NC(=O)N1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000418229534 374256906 /nfs/dbraw/zinc/25/69/06/374256906.db2.gz HHQLBWDDHGTCPY-JTQLQIEISA-N 1 0 278.312 1.271 20 5 CDBDRO CN(c1ncc(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000420143782 374287525 /nfs/dbraw/zinc/28/75/25/374287525.db2.gz YXXVRPONNVRNRQ-UHFFFAOYSA-N 1 0 270.720 1.831 20 5 CDBDRO CC(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[NH+](C)C ZINC000299003692 374294783 /nfs/dbraw/zinc/29/47/83/374294783.db2.gz KNBYICKJQXWLTD-SNVBAGLBSA-N 1 0 282.344 1.629 20 5 CDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]CC1 ZINC000368722399 374325597 /nfs/dbraw/zinc/32/55/97/374325597.db2.gz PENLJWWZSSZDMW-LLVKDONJSA-N 1 0 292.339 1.265 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000423806769 246103745 /nfs/dbraw/zinc/10/37/45/246103745.db2.gz IQLWIALPHZPLHF-WFASDCNBSA-N 1 0 289.335 1.519 20 5 CDBDRO COc1ccc(NC(=O)CN2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000299683812 374402502 /nfs/dbraw/zinc/40/25/02/374402502.db2.gz WNHHRQLAYTVYGV-JTQLQIEISA-N 1 0 293.323 1.884 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@](O)(C3CC3)C2)cc1 ZINC000370082152 374378272 /nfs/dbraw/zinc/37/82/72/374378272.db2.gz LUNMRYHHVSDRSC-HNNXBMFYSA-N 1 0 276.336 1.984 20 5 CDBDRO C[C@@]1(C(=O)NCc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000079520847 374412592 /nfs/dbraw/zinc/41/25/92/374412592.db2.gz NYXPVAVTYSEKAE-ZDUSSCGKSA-N 1 0 263.297 1.353 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CCC(O)CC1 ZINC000020089506 374507845 /nfs/dbraw/zinc/50/78/45/374507845.db2.gz DELTZHFOMFJNKL-UHFFFAOYSA-N 1 0 250.298 1.988 20 5 CDBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000070148971 374650806 /nfs/dbraw/zinc/65/08/06/374650806.db2.gz ZVTGAGZHKBRHJM-JTQLQIEISA-N 1 0 283.353 2.000 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000070172618 374654061 /nfs/dbraw/zinc/65/40/61/374654061.db2.gz PMMNVXQHCBIRHR-YPMHNXCESA-N 1 0 291.351 1.723 20 5 CDBDRO Cc1cccc(C(=O)NC[C@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000070447011 374662739 /nfs/dbraw/zinc/66/27/39/374662739.db2.gz UCTFKWCLPQNYNM-NSHDSACASA-N 1 0 265.313 1.616 20 5 CDBDRO Cc1n[nH]c(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000274531502 374676602 /nfs/dbraw/zinc/67/66/02/374676602.db2.gz UNCDZUAXYBHFLV-JTQLQIEISA-N 1 0 295.343 1.229 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000447968990 374727926 /nfs/dbraw/zinc/72/79/26/374727926.db2.gz TYPHAWFYKGZQFZ-UONOGXRCSA-N 1 0 280.324 1.533 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000154700316 374734796 /nfs/dbraw/zinc/73/47/96/374734796.db2.gz GJFYZFPSARGPAY-UHFFFAOYSA-N 1 0 297.330 1.733 20 5 CDBDRO C[C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H](C)[NH3+] ZINC000277045639 374768638 /nfs/dbraw/zinc/76/86/38/374768638.db2.gz KWROOPLKQGITJH-SFYZADRCSA-N 1 0 285.731 1.848 20 5 CDBDRO C[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000094340166 374831223 /nfs/dbraw/zinc/83/12/23/374831223.db2.gz RHTDJTIQEPSROH-GZMMTYOYSA-N 1 0 281.287 1.543 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000331459612 374957883 /nfs/dbraw/zinc/95/78/83/374957883.db2.gz GNGURZMPHZANGQ-SECBINFHSA-N 1 0 290.323 1.144 20 5 CDBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCOC1 ZINC000280601897 375006808 /nfs/dbraw/zinc/00/68/08/375006808.db2.gz ODOOOMJPNVCLMI-VHSXEESVSA-N 1 0 290.323 1.986 20 5 CDBDRO O=C(CC[N@H+]1CCC[C@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000283173284 375110230 /nfs/dbraw/zinc/11/02/30/375110230.db2.gz DRKDMCWASKRWRI-NSHDSACASA-N 1 0 293.323 1.380 20 5 CDBDRO C[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](C)CO ZINC000282524234 375093333 /nfs/dbraw/zinc/09/33/33/375093333.db2.gz PTICZNOYCOVWNS-VHSXEESVSA-N 1 0 286.303 1.298 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161970906 375245423 /nfs/dbraw/zinc/24/54/23/375245423.db2.gz ZAQFDUFZFZWQDO-VHSXEESVSA-N 1 0 293.323 1.603 20 5 CDBDRO CC[N@@H+]1CC[C@@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000493587155 375466297 /nfs/dbraw/zinc/46/62/97/375466297.db2.gz QHVDLGCMQHGYQN-SBDDDAINSA-N 1 0 289.335 1.818 20 5 CDBDRO CCCN(CCn1cc([N+](=O)[O-])cn1)CC[NH+]1CCCC1 ZINC000352886473 375548250 /nfs/dbraw/zinc/54/82/50/375548250.db2.gz HOQRCZZRHNIPLW-UHFFFAOYSA-N 1 0 295.387 1.599 20 5 CDBDRO COc1ccc(CN2CCC[C@@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000347336111 375558609 /nfs/dbraw/zinc/55/86/09/375558609.db2.gz KKMQAHZXGIXRCD-AWEZNQCLSA-N 1 0 298.314 1.900 20 5 CDBDRO CC(C)(C)[C@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000163393468 375687728 /nfs/dbraw/zinc/68/77/28/375687728.db2.gz PAXCYLFVMFPOND-CYBMUJFWSA-N 1 0 291.351 1.853 20 5 CDBDRO C[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000294198981 375736438 /nfs/dbraw/zinc/73/64/38/375736438.db2.gz NUWUMEHEBZONCM-NSHDSACASA-N 1 0 295.339 1.288 20 5 CDBDRO [NH3+]CCCCc1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000228373545 375753876 /nfs/dbraw/zinc/75/38/76/375753876.db2.gz IPVOHZLZTFMLQT-UHFFFAOYSA-N 1 0 275.312 1.516 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000261638997 190042073 /nfs/dbraw/zinc/04/20/73/190042073.db2.gz WTLNHGLTBYXINI-VHSKPIJISA-N 1 0 283.353 1.773 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[NH2+]CC1 ZINC000050442780 376032104 /nfs/dbraw/zinc/03/21/04/376032104.db2.gz FXEACNGOUARUHO-UHFFFAOYSA-N 1 0 255.705 1.653 20 5 CDBDRO CNC(=O)CC[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000171040897 376038564 /nfs/dbraw/zinc/03/85/64/376038564.db2.gz WPJDYEWZFAFXPG-UHFFFAOYSA-N 1 0 281.312 1.171 20 5 CDBDRO O=C(CC[C@@H]1CC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000261821678 190044733 /nfs/dbraw/zinc/04/47/33/190044733.db2.gz IDYIIYQTJSUVLN-LLVKDONJSA-N 1 0 289.335 1.874 20 5 CDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC1CC[NH2+]CC1 ZINC000262195251 190050635 /nfs/dbraw/zinc/05/06/35/190050635.db2.gz UBHXLYDMAYITOP-UHFFFAOYSA-N 1 0 292.339 1.265 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH2+]CC2)c1 ZINC000262511513 190056361 /nfs/dbraw/zinc/05/63/61/190056361.db2.gz OGCOKOFKBQDOHZ-UHFFFAOYSA-N 1 0 279.296 1.085 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000262824980 190063612 /nfs/dbraw/zinc/06/36/12/190063612.db2.gz TVRZWTRFOTXMCS-WDEREUQCSA-N 1 0 277.324 1.346 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000262839348 190063896 /nfs/dbraw/zinc/06/38/96/190063896.db2.gz ITCJHZOGJIMQBB-VHSXEESVSA-N 1 0 293.323 1.474 20 5 CDBDRO Cc1sc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000262761456 190062305 /nfs/dbraw/zinc/06/23/05/190062305.db2.gz AGPONLFEQQVWOD-APPZFPTMSA-N 1 0 283.353 1.835 20 5 CDBDRO Nc1nc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ncc1[N+](=O)[O-] ZINC000263958171 190086386 /nfs/dbraw/zinc/08/63/86/190086386.db2.gz NJGANYYEIVMMOQ-BDAKNGLRSA-N 1 0 278.316 1.006 20 5 CDBDRO Cc1n[nH]c(C(=O)NCC[N@@H+](C)C2CCCC2)c1[N+](=O)[O-] ZINC000264222002 190097214 /nfs/dbraw/zinc/09/72/14/190097214.db2.gz WHTBDMTXSXYTLV-UHFFFAOYSA-N 1 0 295.343 1.231 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000264400601 190107016 /nfs/dbraw/zinc/10/70/16/190107016.db2.gz JLNNZLZHIXJTSH-VIFPVBQESA-N 1 0 266.301 1.089 20 5 CDBDRO CCC[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000296671263 376703188 /nfs/dbraw/zinc/70/31/88/376703188.db2.gz ZMKJMLLTONFYGK-HNNXBMFYSA-N 1 0 293.367 1.878 20 5 CDBDRO CC[NH+](CC)CCCCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000264917023 190143989 /nfs/dbraw/zinc/14/39/89/190143989.db2.gz OUHNSMTYICSURT-UHFFFAOYSA-N 1 0 297.359 1.478 20 5 CDBDRO COCCC[N@H+](C)CCNc1nccc(C)c1[N+](=O)[O-] ZINC000172771464 377740841 /nfs/dbraw/zinc/74/08/41/377740841.db2.gz VKWSWNROPTXDNM-UHFFFAOYSA-N 1 0 282.344 1.678 20 5 CDBDRO C[NH+](C)C/C=C/C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266083587 190228883 /nfs/dbraw/zinc/22/88/83/190228883.db2.gz DSDLWSCBFIARPM-VMPITWQZSA-N 1 0 277.324 1.371 20 5 CDBDRO C[C@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000190838390 378647915 /nfs/dbraw/zinc/64/79/15/378647915.db2.gz ZQVQLFNEJNWSDS-QWRGUYRKSA-N 1 0 268.313 1.158 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@]2(CCO)CCOC2)c1 ZINC000278550403 194039011 /nfs/dbraw/zinc/03/90/11/194039011.db2.gz ZBONXJVQZSEVAY-ZDUSSCGKSA-N 1 0 266.297 1.226 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444144239 250087652 /nfs/dbraw/zinc/08/76/52/250087652.db2.gz VAKANAHYOGJWCZ-IUODEOHRSA-N 1 0 289.335 1.553 20 5 CDBDRO Nc1c(C(=O)NCC[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000444260844 250110451 /nfs/dbraw/zinc/11/04/51/250110451.db2.gz UUHDOLGCRWHPHV-SECBINFHSA-N 1 0 278.312 1.049 20 5 CDBDRO COC[C@@H](O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278677840 194098644 /nfs/dbraw/zinc/09/86/44/194098644.db2.gz JOXVQTYBTLRREN-GXTWGEPZSA-N 1 0 280.324 1.569 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445173919 250211473 /nfs/dbraw/zinc/21/14/73/250211473.db2.gz QKYMCFOKSPOTGW-SECBINFHSA-N 1 0 296.327 1.156 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000267326069 190321394 /nfs/dbraw/zinc/32/13/94/190321394.db2.gz ZSQBUVSKABCBIW-RKDXNWHRSA-N 1 0 280.332 1.252 20 5 CDBDRO CO[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000267611924 190341548 /nfs/dbraw/zinc/34/15/48/190341548.db2.gz BKLSMRIPAMEJOC-OCCSQVGLSA-N 1 0 296.323 1.055 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[NH+](C)C ZINC000268154855 190381854 /nfs/dbraw/zinc/38/18/54/190381854.db2.gz NEUMOAVBTJSEOE-QMMMGPOBSA-N 1 0 269.276 1.414 20 5 CDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1csc([N+](=O)[O-])c1 ZINC000449617048 250936034 /nfs/dbraw/zinc/93/60/34/250936034.db2.gz SYJWTXOPEILNQV-PDUMLCJASA-N 1 0 295.364 1.902 20 5 CDBDRO Cc1nc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ncc1[N+](=O)[O-] ZINC000450251540 251193042 /nfs/dbraw/zinc/19/30/42/251193042.db2.gz BKKISZUOISEUSM-MNOVXSKESA-N 1 0 277.328 1.732 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000123526284 285114343 /nfs/dbraw/zinc/11/43/43/285114343.db2.gz FZFAGAWDQPJUBV-OLZOCXBDSA-N 1 0 261.325 1.921 20 5 CDBDRO C[N@H+](CCNc1ccc(N)cc1[N+](=O)[O-])C1CC1 ZINC000288482334 197090576 /nfs/dbraw/zinc/09/05/76/197090576.db2.gz PJSUBWRLPIGDPF-UHFFFAOYSA-N 1 0 250.302 1.683 20 5 CDBDRO COC[C@@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000281318286 195195438 /nfs/dbraw/zinc/19/54/38/195195438.db2.gz ZQEKADIONWVNMK-WDEREUQCSA-N 1 0 268.313 1.561 20 5 CDBDRO O=[N+]([O-])c1c(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc2sccn21 ZINC000261662372 390480967 /nfs/dbraw/zinc/48/09/67/390480967.db2.gz FCGOEXVCXZARTC-RKDXNWHRSA-N 1 0 293.352 1.350 20 5 CDBDRO C[C@@H]1COCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000371100587 390536648 /nfs/dbraw/zinc/53/66/48/390536648.db2.gz PGJKUTQLCBCQEN-SMDDNHRTSA-N 1 0 280.324 1.597 20 5 CDBDRO CO[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000451486318 390626954 /nfs/dbraw/zinc/62/69/54/390626954.db2.gz DREPDEVLQYFVBQ-GHMZBOCLSA-N 1 0 268.317 1.194 20 5 CDBDRO CO[C@]1(C)C[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000451498633 390627969 /nfs/dbraw/zinc/62/79/69/390627969.db2.gz WXCWSGNYIFCIQW-GXFFZTMASA-N 1 0 282.344 1.585 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000111302957 390672070 /nfs/dbraw/zinc/67/20/70/390672070.db2.gz BVLVLXGGAVVYNE-ZCFIWIBFSA-N 1 0 257.677 1.325 20 5 CDBDRO CC(C)[C@](C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000289455947 390817129 /nfs/dbraw/zinc/81/71/29/390817129.db2.gz XTPZEXRCRDOQQX-AWEZNQCLSA-N 1 0 279.340 1.627 20 5 CDBDRO COC[C@H](CO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000289585213 390821012 /nfs/dbraw/zinc/82/10/12/390821012.db2.gz ARUDLUWFSFYQFW-IINYFYTJSA-N 1 0 294.351 1.914 20 5 CDBDRO C[C@@H](NC(=O)N(C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000176241464 390915711 /nfs/dbraw/zinc/91/57/11/390915711.db2.gz GAWMNLKAQAFBDC-LLVKDONJSA-N 1 0 294.355 1.859 20 5 CDBDRO CC(C)(C)[C@H]([NH3+])C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000516294633 390965155 /nfs/dbraw/zinc/96/51/55/390965155.db2.gz ZHVRNERWEXJABJ-GFCCVEGCSA-N 1 0 295.339 1.463 20 5 CDBDRO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000411774227 390968314 /nfs/dbraw/zinc/96/83/14/390968314.db2.gz UUQHAWNOYFWCSC-ZJUUUORDSA-N 1 0 286.353 1.679 20 5 CDBDRO CCO[C@@H]1CCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000452020131 390977688 /nfs/dbraw/zinc/97/76/88/390977688.db2.gz SRMHXOBAVSCQHP-CHWSQXEVSA-N 1 0 295.339 1.304 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000148837079 390981012 /nfs/dbraw/zinc/98/10/12/390981012.db2.gz ITIBFJKVSIPQCC-ZETCQYMHSA-N 1 0 257.315 1.242 20 5 CDBDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000185770301 390986449 /nfs/dbraw/zinc/98/64/49/390986449.db2.gz NWGHEUWBIZXVLU-LBPRGKRZSA-N 1 0 293.323 1.915 20 5 CDBDRO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccccc1[N+](=O)[O-] ZINC000266462419 391070957 /nfs/dbraw/zinc/07/09/57/391070957.db2.gz MLAMCTQTCCTFIC-QWRGUYRKSA-N 1 0 287.323 1.852 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000449643415 391125091 /nfs/dbraw/zinc/12/50/91/391125091.db2.gz YXNVWSNAPIYCDR-CHWSQXEVSA-N 1 0 291.351 1.771 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000517406044 391125298 /nfs/dbraw/zinc/12/52/98/391125298.db2.gz SGWRIOSHRFCDRS-FJDWXNHUSA-N 1 0 292.335 1.738 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000517544285 391162289 /nfs/dbraw/zinc/16/22/89/391162289.db2.gz CEJSLPAEBZLAQN-JTQLQIEISA-N 1 0 280.328 1.100 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000413573734 391240965 /nfs/dbraw/zinc/24/09/65/391240965.db2.gz SPMOPSVGTAJBID-SECBINFHSA-N 1 0 251.290 1.199 20 5 CDBDRO C[N@H+](CCCCNc1ncc([N+](=O)[O-])cn1)C1CC1 ZINC000413350294 391204232 /nfs/dbraw/zinc/20/42/32/391204232.db2.gz WABOMNQCFYIWDN-UHFFFAOYSA-N 1 0 265.317 1.093 20 5 CDBDRO CCc1ccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000449740082 391307276 /nfs/dbraw/zinc/30/72/76/391307276.db2.gz DSVQXNFMFBVUTG-OCCSQVGLSA-N 1 0 289.335 1.591 20 5 CDBDRO Cc1cc(NC(=O)N[C@H](C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000415416872 391408314 /nfs/dbraw/zinc/40/83/14/391408314.db2.gz LHVBSGAZVASWLX-LLVKDONJSA-N 1 0 278.312 1.762 20 5 CDBDRO COc1ccc(NC(=O)N(C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000415444975 391442999 /nfs/dbraw/zinc/44/29/99/391442999.db2.gz SAKCBOZYRAQUNX-QMMMGPOBSA-N 1 0 282.300 1.414 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415630849 391469731 /nfs/dbraw/zinc/46/97/31/391469731.db2.gz LOLAEGBAGXGCRG-UFBFGSQYSA-N 1 0 296.302 1.996 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415635540 391470282 /nfs/dbraw/zinc/47/02/82/391470282.db2.gz UXMZYWFGWJNFMP-BDAKNGLRSA-N 1 0 296.302 1.935 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000449590556 391631176 /nfs/dbraw/zinc/63/11/76/391631176.db2.gz LICUCDBVOKFFTC-IUCAKERBSA-N 1 0 292.339 1.635 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](C[NH+](C)C)C1 ZINC000192593764 391706798 /nfs/dbraw/zinc/70/67/98/391706798.db2.gz SJXRZIGXAOTTQR-LLVKDONJSA-N 1 0 281.360 1.508 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1([NH+](C)C)CC1 ZINC000416308698 391985202 /nfs/dbraw/zinc/98/52/02/391985202.db2.gz RJIULCUADQEVRZ-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442606661 392435479 /nfs/dbraw/zinc/43/54/79/392435479.db2.gz QHPZGCFKHIZHCZ-LLVKDONJSA-N 1 0 292.339 1.499 20 5 CDBDRO C[C@H]([NH3+])CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000442664147 392444242 /nfs/dbraw/zinc/44/42/42/392444242.db2.gz VSJHAYKWYIJKCJ-NSHDSACASA-N 1 0 279.340 1.785 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1(CO)CCSCC1 ZINC000459700556 392500108 /nfs/dbraw/zinc/50/01/08/392500108.db2.gz PSWQXHZAAAELSU-UHFFFAOYSA-N 1 0 282.365 1.943 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000459778502 392504621 /nfs/dbraw/zinc/50/46/21/392504621.db2.gz LTGKCEVVZTVLFT-OUAUKWLOSA-N 1 0 250.302 1.570 20 5 CDBDRO Cc1nc(NCC2([NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000419001932 392884189 /nfs/dbraw/zinc/88/41/89/392884189.db2.gz BEIHBMPGGDQJQR-UHFFFAOYSA-N 1 0 251.290 1.199 20 5 CDBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000419374698 392890978 /nfs/dbraw/zinc/89/09/78/392890978.db2.gz QKRBDWSIRWMPTA-XZUYRWCXSA-N 1 0 282.344 1.129 20 5 CDBDRO COCCCC[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000419378088 392892309 /nfs/dbraw/zinc/89/23/09/392892309.db2.gz COUCKGMAAKGFOH-UHFFFAOYSA-N 1 0 283.328 1.115 20 5 CDBDRO [NH3+][C@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000420166417 392900449 /nfs/dbraw/zinc/90/04/49/392900449.db2.gz ICQFQRYWQAFHLX-JTQLQIEISA-N 1 0 258.281 1.680 20 5 CDBDRO [NH3+]CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418292752 392879122 /nfs/dbraw/zinc/87/91/22/392879122.db2.gz DJDJIWXXEPMNRM-UHFFFAOYSA-N 1 0 278.312 1.228 20 5 CDBDRO C[C@@H]1CC[C@@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000429577719 393082871 /nfs/dbraw/zinc/08/28/71/393082871.db2.gz GICFPEYMBWNJFB-NQBHXWOUSA-N 1 0 282.344 1.273 20 5 CDBDRO CC[N@@H+]1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000282226026 393173174 /nfs/dbraw/zinc/17/31/74/393173174.db2.gz OPIQCZNOUJBGBD-UHFFFAOYSA-N 1 0 264.329 1.709 20 5 CDBDRO CCn1ncnc1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449296388 393133648 /nfs/dbraw/zinc/13/36/48/393133648.db2.gz BDNYLLRLAZDZLW-LLVKDONJSA-N 1 0 289.339 1.927 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000449667578 393137712 /nfs/dbraw/zinc/13/77/12/393137712.db2.gz VELOGKLSKOLSTF-NSHDSACASA-N 1 0 299.277 1.630 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449685058 393140002 /nfs/dbraw/zinc/14/00/02/393140002.db2.gz MTNUDCNZKTXXHM-LLVKDONJSA-N 1 0 292.339 1.560 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/C[NH+](C)C ZINC000493783236 393220028 /nfs/dbraw/zinc/22/00/28/393220028.db2.gz HHYKVGMULGRRRC-SNAWJCMRSA-N 1 0 278.312 1.693 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000215997969 393207497 /nfs/dbraw/zinc/20/74/97/393207497.db2.gz VVMORRZKOLWKAR-OVFHYVDXSA-N 1 0 289.335 1.817 20 5 CDBDRO Cc1cc(N2CCC[C@@H](CC[NH3+])C2)ncc1[N+](=O)[O-] ZINC000092027753 139689075 /nfs/dbraw/zinc/68/90/75/139689075.db2.gz FGEFHZZNXONVRD-NSHDSACASA-N 1 0 264.329 1.863 20 5 CDBDRO C[C@@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000135237624 139885782 /nfs/dbraw/zinc/88/57/82/139885782.db2.gz CRGROYUGPIMEFA-RISCZKNCSA-N 1 0 291.351 1.723 20 5 CDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000178885472 140008390 /nfs/dbraw/zinc/00/83/90/140008390.db2.gz NHQFHEUSGHRRHS-JTQLQIEISA-N 1 0 299.352 1.015 20 5 CDBDRO CCOc1ccc(C(=O)N(C)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000179080871 140012672 /nfs/dbraw/zinc/01/26/72/140012672.db2.gz SVZSCAXLPOUQDJ-NSHDSACASA-N 1 0 293.323 1.427 20 5 CDBDRO COCC[NH2+]CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000216078322 140161842 /nfs/dbraw/zinc/16/18/42/140161842.db2.gz DCIDPUDWZAXNRZ-UHFFFAOYSA-N 1 0 290.323 1.791 20 5 CDBDRO CSC[C@@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000217864314 140165487 /nfs/dbraw/zinc/16/54/87/140165487.db2.gz HSESAMKJTPEFCK-LBPRGKRZSA-N 1 0 270.354 1.798 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000261551946 140345614 /nfs/dbraw/zinc/34/56/14/140345614.db2.gz ZAGMXZSWXHIPQS-SFYZADRCSA-N 1 0 270.720 1.817 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@](C)(C[NH3+])C2)n1 ZINC000261567565 140350529 /nfs/dbraw/zinc/35/05/29/140350529.db2.gz IRWDMUOLYCYUBA-LBPRGKRZSA-N 1 0 250.302 1.473 20 5 CDBDRO COCC[NH2+]CCNc1cc(C)c([N+](=O)[O-])cc1F ZINC000261586779 140357203 /nfs/dbraw/zinc/35/72/03/140357203.db2.gz JCQZFTPQOSMNGF-UHFFFAOYSA-N 1 0 271.292 1.690 20 5 CDBDRO Cc1ccnc(N2CC[C@@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC000261587747 140357833 /nfs/dbraw/zinc/35/78/33/140357833.db2.gz VFTHPRBCYJYJBF-LBPRGKRZSA-N 1 0 250.302 1.473 20 5 CDBDRO C[NH2+][C@H](C)Cc1noc(Cc2cccc([N+](=O)[O-])c2)n1 ZINC000261659744 140370918 /nfs/dbraw/zinc/37/09/18/140370918.db2.gz FMBXJNSPAFLPLJ-SECBINFHSA-N 1 0 276.296 1.719 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261676980 140374171 /nfs/dbraw/zinc/37/41/71/140374171.db2.gz GKMATYBVQRAGES-CQSZACIVSA-N 1 0 277.324 1.714 20 5 CDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261761875 140385923 /nfs/dbraw/zinc/38/59/23/140385923.db2.gz UYQWRKXPZRUKJK-ZANVPECISA-N 1 0 293.298 1.558 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000262494944 140428600 /nfs/dbraw/zinc/42/86/00/140428600.db2.gz WBLUIXLTCBJUCX-SECBINFHSA-N 1 0 251.286 1.323 20 5 CDBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H](CO)O1 ZINC000191776226 397662281 /nfs/dbraw/zinc/66/22/81/397662281.db2.gz HQCIDUQILVUXDN-ZWNOBZJWSA-N 1 0 266.297 1.176 20 5 CDBDRO CCO[C@H]1C[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000176260407 148033254 /nfs/dbraw/zinc/03/32/54/148033254.db2.gz LZCPUQRYSKYVIV-NEPJUHHUSA-N 1 0 296.371 1.927 20 5 CDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@H]12 ZINC000248654743 148877176 /nfs/dbraw/zinc/87/71/76/148877176.db2.gz VYNGCKSSQYESPV-LJUAHTATSA-N 1 0 293.298 1.543 20 5 CDBDRO COc1cc(N(C)[C@H]2CC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000227860171 286227543 /nfs/dbraw/zinc/22/75/43/286227543.db2.gz PISONYXVCDWSIT-QMMMGPOBSA-N 1 0 269.276 1.541 20 5 CDBDRO C[C@@H]1[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343513253 152206684 /nfs/dbraw/zinc/20/66/84/152206684.db2.gz JXDQLFAQLSPFKN-NOZJJQNGSA-N 1 0 295.314 1.946 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCSC[C@@H]2CO)cc1 ZINC000343773706 152297521 /nfs/dbraw/zinc/29/75/21/152297521.db2.gz UULVMDVIEYLDAL-LBPRGKRZSA-N 1 0 298.364 1.383 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000343804855 152309057 /nfs/dbraw/zinc/30/90/57/152309057.db2.gz KAQKXTNNQJJPHC-SNVBAGLBSA-N 1 0 274.324 1.927 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000277386111 292283313 /nfs/dbraw/zinc/28/33/13/292283313.db2.gz DAOQQKSTOFNWCL-CMPLNLGQSA-N 1 0 277.324 1.631 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000162864321 292286451 /nfs/dbraw/zinc/28/64/51/292286451.db2.gz VXHFFBNZXSWRPE-MNOVXSKESA-N 1 0 264.329 1.862 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C[NH3+])C2CC2)c1 ZINC000159051610 286381865 /nfs/dbraw/zinc/38/18/65/286381865.db2.gz PKVLULFHMHVRKE-LLVKDONJSA-N 1 0 279.296 1.071 20 5 CDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@@H+]1CCCC[C@H]1C ZINC000349873012 154250370 /nfs/dbraw/zinc/25/03/70/154250370.db2.gz JJMVFXDBFGZNAS-ZJUUUORDSA-N 1 0 295.343 1.311 20 5 CDBDRO CC1=CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000349972720 154292454 /nfs/dbraw/zinc/29/24/54/154292454.db2.gz MBKFLNDMTPHHCD-UHFFFAOYSA-N 1 0 292.339 1.315 20 5 CDBDRO CC(C)OCCC[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000350071208 154318691 /nfs/dbraw/zinc/31/86/91/154318691.db2.gz IQOIMVWYRRHRLT-UHFFFAOYSA-N 1 0 270.333 1.538 20 5 CDBDRO COc1cccc(N2CC[C@H]3[NH2+]CC[C@H]3C2)c1[N+](=O)[O-] ZINC000261848969 286458148 /nfs/dbraw/zinc/45/81/48/286458148.db2.gz WOGXHJZZNUFVKV-WDEREUQCSA-N 1 0 277.324 1.792 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@H](n2cncn2)C1 ZINC000375321467 160367380 /nfs/dbraw/zinc/36/73/80/160367380.db2.gz WUEQOIIAOABXKT-GFCCVEGCSA-N 1 0 291.286 1.772 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000353869987 156134574 /nfs/dbraw/zinc/13/45/74/156134574.db2.gz QWLPNEBYOVSEHC-CMPLNLGQSA-N 1 0 298.364 1.568 20 5 CDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000354004626 156217862 /nfs/dbraw/zinc/21/78/62/156217862.db2.gz BZWXXLYYUZVJOP-LLVKDONJSA-N 1 0 277.324 1.761 20 5 CDBDRO CC[N@H+](CCNc1cccc(C(N)=O)c1[N+](=O)[O-])C(C)C ZINC000357256914 157709866 /nfs/dbraw/zinc/70/98/66/157709866.db2.gz BBJYUXCFNCNLFI-UHFFFAOYSA-N 1 0 294.355 1.836 20 5 CDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000359202488 158160868 /nfs/dbraw/zinc/16/08/68/158160868.db2.gz BRFLHIGRINCBSW-LBPRGKRZSA-N 1 0 295.314 1.948 20 5 CDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000359203772 158162357 /nfs/dbraw/zinc/16/23/57/158162357.db2.gz UNPFDWPJLFVUGF-ZDUSSCGKSA-N 1 0 277.324 1.809 20 5 CDBDRO O=[N+]([O-])c1cccc(OCCN2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000359273689 158192927 /nfs/dbraw/zinc/19/29/27/158192927.db2.gz JEJHAJDBFQQBSJ-VXGBXAGGSA-N 1 0 277.324 1.125 20 5 CDBDRO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000362073901 159060813 /nfs/dbraw/zinc/06/08/13/159060813.db2.gz AKMZNZLODATKNV-RYUDHWBXSA-N 1 0 280.324 1.534 20 5 CDBDRO C[C@@H]([NH2+]CCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000038047387 174057245 /nfs/dbraw/zinc/05/72/45/174057245.db2.gz LMCUBJZADDVZIR-SNVBAGLBSA-N 1 0 286.353 1.680 20 5 CDBDRO C[C@H]([NH2+]C[C@@H]1COCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000038060762 174071744 /nfs/dbraw/zinc/07/17/44/174071744.db2.gz MMMTUPBFIZYHSZ-GXFFZTMASA-N 1 0 266.297 1.661 20 5 CDBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(=O)[nH]n1 ZINC000286263202 196545496 /nfs/dbraw/zinc/54/54/96/196545496.db2.gz VASAJJBUPWFDKR-SNVBAGLBSA-N 1 0 288.307 1.571 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)c2nonc21 ZINC000044417229 175173413 /nfs/dbraw/zinc/17/34/13/175173413.db2.gz BYOXLQNXHDNNQE-MRVPVSSYSA-N 1 0 289.295 1.780 20 5 CDBDRO CC[NH+](CC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000078644680 177365563 /nfs/dbraw/zinc/36/55/63/177365563.db2.gz JPQSWNYIBFGVJG-UHFFFAOYSA-N 1 0 277.324 1.826 20 5 CDBDRO CC1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC[NH2+]CC1 ZINC000129098648 260383134 /nfs/dbraw/zinc/38/31/34/260383134.db2.gz BLUQAJYNHUFEEN-UHFFFAOYSA-N 1 0 266.301 1.042 20 5 CDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000525805854 262369057 /nfs/dbraw/zinc/36/90/57/262369057.db2.gz FQQOXEBGRIKVFU-NSHDSACASA-N 1 0 277.324 1.666 20 5 CDBDRO [NH3+]C1(CNc2ncc([N+](=O)[O-])cc2Cl)CCC1 ZINC000236198792 274942980 /nfs/dbraw/zinc/94/29/80/274942980.db2.gz LLLPKJKKLXLELO-UHFFFAOYSA-N 1 0 256.693 1.937 20 5 CDBDRO [NH3+]CC[C@H](NC(=O)/C=C\c1ccccc1[N+](=O)[O-])C(F)F ZINC000394769537 270339069 /nfs/dbraw/zinc/33/90/69/270339069.db2.gz DXERUVVOYQDRMO-OMMCCPJFSA-N 1 0 299.277 1.707 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]([NH3+])C2CCC2)cccc1[N+](=O)[O-] ZINC000399026751 270367908 /nfs/dbraw/zinc/36/79/08/270367908.db2.gz KABBJDIPQADKCA-ZDUSSCGKSA-N 1 0 277.324 1.647 20 5 CDBDRO Cc1ccc(NC(=O)[C@H]([NH3+])C2CCC2)cc1[N+](=O)[O-] ZINC000399226634 270370876 /nfs/dbraw/zinc/37/08/76/270370876.db2.gz NIYAYTBIGMYTIT-GFCCVEGCSA-N 1 0 263.297 1.969 20 5 CDBDRO C[C@@H]([NH3+])CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000422778384 274235650 /nfs/dbraw/zinc/23/56/50/274235650.db2.gz HIYPJWRFVQTQJX-SECBINFHSA-N 1 0 288.307 1.610 20 5 CDBDRO Cc1c(NC(=O)N2CC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000414703583 274664567 /nfs/dbraw/zinc/66/45/67/274664567.db2.gz MGBZMBAGYXECMX-VIFPVBQESA-N 1 0 264.285 1.468 20 5 CDBDRO [NH3+][C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000050244183 274958684 /nfs/dbraw/zinc/95/86/84/274958684.db2.gz WVTWIKCITLEAHH-SECBINFHSA-N 1 0 258.281 1.680 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000078617534 276831938 /nfs/dbraw/zinc/83/19/38/276831938.db2.gz LNOHLFGYFXWVAR-LLVKDONJSA-N 1 0 292.339 1.224 20 5 CDBDRO CNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000291909292 277248989 /nfs/dbraw/zinc/24/89/89/277248989.db2.gz MPMJLGOTOVNUTQ-UWVGGRQHSA-N 1 0 265.313 1.688 20 5 CDBDRO C[NH2+][C@@H]1CCCN(c2ncc(C)cc2[N+](=O)[O-])C1 ZINC000090692577 277295244 /nfs/dbraw/zinc/29/52/44/277295244.db2.gz JODSCBOMOGIDRT-SNVBAGLBSA-N 1 0 250.302 1.486 20 5 CDBDRO COCCCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298057158 277490573 /nfs/dbraw/zinc/49/05/73/277490573.db2.gz JPNKIAHFKQTGKG-UHFFFAOYSA-N 1 0 294.355 1.538 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000178727203 277936943 /nfs/dbraw/zinc/93/69/43/277936943.db2.gz ASVPHCCNTKKJSR-SECBINFHSA-N 1 0 279.296 1.085 20 5 CDBDRO C[C@@H](C[NH3+])Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000235104836 280126352 /nfs/dbraw/zinc/12/63/52/280126352.db2.gz KMRFGIBARQFLML-YFKPBYRVSA-N 1 0 264.207 1.768 20 5 CDBDRO CC[NH2+]CCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000236959365 280149631 /nfs/dbraw/zinc/14/96/31/280149631.db2.gz CKWFUWYFOKBRIQ-GQCTYLIASA-N 1 0 281.287 1.473 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000168704421 280336888 /nfs/dbraw/zinc/33/68/88/280336888.db2.gz CGIVWJCHYFTOCS-PWSUYJOCSA-N 1 0 277.324 1.713 20 5 CDBDRO Cc1c(C[N@@H+](C[C@@H](C)O)[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000248957631 280397696 /nfs/dbraw/zinc/39/76/96/280397696.db2.gz QKVWHAPTJBNZSI-GHMZBOCLSA-N 1 0 282.340 1.467 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000132054703 281017020 /nfs/dbraw/zinc/01/70/20/281017020.db2.gz QCRJIIUUFGBLHQ-QWRGUYRKSA-N 1 0 277.324 1.713 20 5 CDBDRO COCC(C)(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000154866422 289219707 /nfs/dbraw/zinc/21/97/07/289219707.db2.gz NAUQMAVVTWVTDA-UHFFFAOYSA-N 1 0 295.339 1.856 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000157336212 289284122 /nfs/dbraw/zinc/28/41/22/289284122.db2.gz OYWMPXWZFNVKRX-SNVBAGLBSA-N 1 0 292.339 1.249 20 5 CDBDRO Cc1ccccc1[C@@H](CO)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000541983856 289529873 /nfs/dbraw/zinc/52/98/73/289529873.db2.gz SVUXGJCQUDSQBS-CQSZACIVSA-N 1 0 290.323 1.423 20 5 CDBDRO C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000555532937 290223160 /nfs/dbraw/zinc/22/31/60/290223160.db2.gz GJBWFZXKRVULSO-UHFFFAOYSA-N 1 0 291.351 1.690 20 5 CDBDRO C[N@@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000556083555 290252556 /nfs/dbraw/zinc/25/25/56/290252556.db2.gz NUGHEVCXNXSBFN-UHFFFAOYSA-N 1 0 293.367 2.000 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000560367035 293027502 /nfs/dbraw/zinc/02/75/02/293027502.db2.gz DNSDMZOJDXLAGH-LLVKDONJSA-N 1 0 294.355 1.393 20 5 CDBDRO CCOc1cc(C[NH2+][C@@H]2COC[C@H]2OC)ccc1[N+](=O)[O-] ZINC000569101020 294155876 /nfs/dbraw/zinc/15/58/76/294155876.db2.gz XSUVQBUHPVCILI-BXUZGUMPSA-N 1 0 296.323 1.497 20 5 CDBDRO CC(C)[C@@H]1C[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572595674 294652999 /nfs/dbraw/zinc/65/29/99/294652999.db2.gz UTPHGLMFBHCZAQ-RWMBFGLXSA-N 1 0 294.351 1.969 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1c1ccc(F)cc1[N+](=O)[O-] ZINC000216215213 297250392 /nfs/dbraw/zinc/25/03/92/297250392.db2.gz KOANOMRGPLDYOY-BDAKNGLRSA-N 1 0 253.277 1.907 20 5 CDBDRO [NH3+]CC[C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000070171214 303389988 /nfs/dbraw/zinc/38/99/88/303389988.db2.gz VBAWEMLNZLCUTG-SNVBAGLBSA-N 1 0 250.302 1.555 20 5 CDBDRO Cc1ccc(NC(=O)N(C)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000575020703 316948860 /nfs/dbraw/zinc/94/88/60/316948860.db2.gz PKJVFUAMDDMOFZ-LLVKDONJSA-N 1 0 278.312 1.729 20 5 CDBDRO COc1cccc(C(=O)NC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000577947411 317436265 /nfs/dbraw/zinc/43/62/65/317436265.db2.gz BCUMGACESKBSLM-SECBINFHSA-N 1 0 279.296 1.085 20 5 CDBDRO CC[NH2+][C@H](C)CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000387552208 323772825 /nfs/dbraw/zinc/77/28/25/323772825.db2.gz UQIGVGQZDMRHQH-MRVPVSSYSA-N 1 0 263.301 1.303 20 5 CDBDRO CCc1[nH]nc(-c2nc(C[C@@H](C)[NH2+]C)no2)c1[N+](=O)[O-] ZINC000580645993 324521004 /nfs/dbraw/zinc/52/10/04/324521004.db2.gz FEKQSOAAPWNWBP-ZCFIWIBFSA-N 1 0 280.288 1.081 20 5 CDBDRO [NH3+]CCCCC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000580889740 324589189 /nfs/dbraw/zinc/58/91/89/324589189.db2.gz QILBRBOLSBQDFA-UHFFFAOYSA-N 1 0 280.328 1.252 20 5 CDBDRO CC(=O)N1CC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000582430934 324976220 /nfs/dbraw/zinc/97/62/20/324976220.db2.gz MKZQCDAZTYYPGG-SECBINFHSA-N 1 0 263.297 1.476 20 5 CDBDRO CSC[C@@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000584167754 327055010 /nfs/dbraw/zinc/05/50/10/327055010.db2.gz FRQHAAXYMSJGSN-LBPRGKRZSA-N 1 0 270.354 1.451 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000112928768 519618640 /nfs/dbraw/zinc/61/86/40/519618640.db2.gz FHCAQEBGYYOULI-UHFFFAOYSA-N 1 0 294.355 1.463 20 5 CDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[NH2+]1 ZINC000417930728 534471691 /nfs/dbraw/zinc/47/16/91/534471691.db2.gz BEVDWSCIHQVMOC-GFCCVEGCSA-N 1 0 292.339 1.189 20 5 CDBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000068806534 523889867 /nfs/dbraw/zinc/88/98/67/523889867.db2.gz AEKLRXHYTYZGLD-LLVKDONJSA-N 1 0 298.774 1.906 20 5 CDBDRO Cc1ccc(C[NH2+][C@H](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000161571093 524601698 /nfs/dbraw/zinc/60/16/98/524601698.db2.gz RPWFJHVAWONMFG-SECBINFHSA-N 1 0 251.286 1.257 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]([NH3+])CC(C)C ZINC000353434628 525461643 /nfs/dbraw/zinc/46/16/43/525461643.db2.gz CNKDQWOQYWNVEZ-GFCCVEGCSA-N 1 0 295.339 1.593 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCC[NH2+]1 ZINC000052813035 525577041 /nfs/dbraw/zinc/57/70/41/525577041.db2.gz FEKHNPNGJUMTAV-JTQLQIEISA-N 1 0 250.302 1.852 20 5 CDBDRO [NH3+]C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000236248826 527239393 /nfs/dbraw/zinc/23/93/93/527239393.db2.gz RIIUFMLQTZATPH-SSDOTTSWSA-N 1 0 256.693 1.428 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417227094 535213660 /nfs/dbraw/zinc/21/36/60/535213660.db2.gz LECOVLRJWLGMQG-ZDUSSCGKSA-N 1 0 294.355 1.420 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000261667593 535969902 /nfs/dbraw/zinc/96/99/02/535969902.db2.gz ZPLUIYVINBDORT-RKDXNWHRSA-N 1 0 267.333 1.306 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000414656037 536372148 /nfs/dbraw/zinc/37/21/48/536372148.db2.gz MFFDRUWMFRVTIO-SECBINFHSA-N 1 0 294.311 1.429 20 5 CDBDRO CNc1nc(-c2nc(C3([NH3+])CCC3)no2)ccc1[N+](=O)[O-] ZINC000414625570 536422428 /nfs/dbraw/zinc/42/24/28/536422428.db2.gz IVVHJAWLROKJIU-UHFFFAOYSA-N 1 0 290.283 1.419 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000074772809 545512372 /nfs/dbraw/zinc/51/23/72/545512372.db2.gz YDNCVFVGSBGARA-GFCCVEGCSA-N 1 0 293.371 1.496 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000731030495 575030790 /nfs/dbraw/zinc/03/07/90/575030790.db2.gz ROEIYVOGDCGVLQ-NSHDSACASA-N 1 0 289.339 1.996 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cc[nH]n2)cc1 ZINC000731678992 575059493 /nfs/dbraw/zinc/05/94/93/575059493.db2.gz VPRVWGWVJPXAKX-GFCCVEGCSA-N 1 0 262.269 1.141 20 5 CDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000742241381 576591841 /nfs/dbraw/zinc/59/18/41/576591841.db2.gz PIPADSBWOPYMNB-GFCCVEGCSA-N 1 0 291.351 1.738 20 5 CDBDRO C[C@](CO)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000754262397 576888573 /nfs/dbraw/zinc/88/85/73/576888573.db2.gz NWNMQQPFDTYMMY-CQSZACIVSA-N 1 0 291.307 1.987 20 5 CDBDRO COc1cc(C[NH2+][C@@H]2COC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000932487459 617314315 /nfs/dbraw/zinc/31/43/15/617314315.db2.gz BLJFMIZEZQTLKD-LDYMZIIASA-N 1 0 284.287 1.867 20 5 CDBDRO CC(=O)OC[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000892606627 617531701 /nfs/dbraw/zinc/53/17/01/617531701.db2.gz CVEJWEFAIPDCTD-VIFPVBQESA-N 1 0 252.270 1.636 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@H](C1CC1)[NH+](C)C ZINC000892346454 617967594 /nfs/dbraw/zinc/96/75/94/617967594.db2.gz ZJLUVDGFDGWMBZ-VIFPVBQESA-N 1 0 253.306 1.080 20 5 CDBDRO CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000923425345 618331323 /nfs/dbraw/zinc/33/13/23/618331323.db2.gz KTXYVPTXFIKZKA-KBPBESRZSA-N 1 0 279.340 1.312 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000894475291 618908796 /nfs/dbraw/zinc/90/87/96/618908796.db2.gz BGQPMGIVOKDXTG-SNVBAGLBSA-N 1 0 281.360 1.861 20 5 CDBDRO CCC[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[NH2+]1 ZINC000895057559 619242132 /nfs/dbraw/zinc/24/21/32/619242132.db2.gz GBTAKUMYACGOBV-SECBINFHSA-N 1 0 266.301 1.274 20 5 CDBDRO CCC[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CC[NH2+]1 ZINC000895057680 619242235 /nfs/dbraw/zinc/24/22/35/619242235.db2.gz HEFKZQWYLKAJKG-LLVKDONJSA-N 1 0 289.339 1.821 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)OCCC[NH+]1CCCC1 ZINC000787987550 621598964 /nfs/dbraw/zinc/59/89/64/621598964.db2.gz DRBIEFWMCORLPK-UHFFFAOYSA-N 1 0 293.323 1.820 20 5 CDBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cn(C)nn1 ZINC000902889392 625579487 /nfs/dbraw/zinc/57/94/87/625579487.db2.gz IQWFLRQVIRZOEO-JTQLQIEISA-N 1 0 275.312 1.617 20 5 CDBDRO Cc1cc(N2CC[C@H](C[NH3+])[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000900384747 622964402 /nfs/dbraw/zinc/96/44/02/622964402.db2.gz UIRLDHUJCGICPM-WDEREUQCSA-N 1 0 264.329 1.719 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000900385117 622964439 /nfs/dbraw/zinc/96/44/39/622964439.db2.gz VTTBPPNMAQVHDN-GHMZBOCLSA-N 1 0 264.329 1.719 20 5 CDBDRO COc1ccc(OCCC[NH2+]CC[N+](=O)[O-])cc1 ZINC000905068653 626614795 /nfs/dbraw/zinc/61/47/95/626614795.db2.gz QLULLZAUMYFBPN-UHFFFAOYSA-N 1 0 254.286 1.330 20 5 CDBDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905119120 626630388 /nfs/dbraw/zinc/63/03/88/626630388.db2.gz ZYNUXUIBRRJOSK-SNVBAGLBSA-N 1 0 273.333 1.252 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCOc1ncccc1C(F)(F)F ZINC000905180195 626664237 /nfs/dbraw/zinc/66/42/37/626664237.db2.gz JLNXCALFSDVJDN-UHFFFAOYSA-N 1 0 279.218 1.346 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000905231005 626685898 /nfs/dbraw/zinc/68/58/98/626685898.db2.gz IIVZPKBKDZVRJG-CABCVRRESA-N 1 0 296.342 1.766 20 5 CDBDRO CC1CCC2(CC1)OC[C@@H](C[NH2+]CC[N+](=O)[O-])O2 ZINC000905202927 626690254 /nfs/dbraw/zinc/69/02/54/626690254.db2.gz PIEDPCCLNROASA-MOENNCHZSA-N 1 0 258.318 1.175 20 5 CDBDRO CC(C)Oc1ccc([C@H](C[NH2+]CC[N+](=O)[O-])N(C)C)cc1 ZINC000905263376 626712420 /nfs/dbraw/zinc/71/24/20/626712420.db2.gz VAMIJFDCHCNCFT-HNNXBMFYSA-N 1 0 295.383 1.943 20 5 CDBDRO C[C@H](O)[C@](C)(C[NH2+]CC[N+](=O)[O-])Cc1ccccc1 ZINC000905366031 626785201 /nfs/dbraw/zinc/78/52/01/626785201.db2.gz SCVWGDJELLLTFB-JSGCOSHPSA-N 1 0 266.341 1.483 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H](CO)c1ccc(Cl)cc1 ZINC000905415745 626804365 /nfs/dbraw/zinc/80/43/65/626804365.db2.gz OMINBPKAJFZALX-SNVBAGLBSA-N 1 0 258.705 1.282 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCOC3CC3)C2)nc1 ZINC000929986051 632224473 /nfs/dbraw/zinc/22/44/73/632224473.db2.gz FEPVUWMAFYLUEI-LLVKDONJSA-N 1 0 292.339 1.655 20 5 CDBDRO C[NH+](C)CCCOC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000917526955 632236233 /nfs/dbraw/zinc/23/62/33/632236233.db2.gz JBHATBXSRHGRHN-UHFFFAOYSA-N 1 0 296.323 1.859 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)CCO)c([N+](=O)[O-])c1 ZINC001170297906 1162328557 /nfs/dbraw/zinc/32/85/57/1162328557.db2.gz VLYNCJJFNWFFMV-QWRGUYRKSA-N 1 0 282.340 1.895 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]CCNC(C)=O)c([N+](=O)[O-])c1 ZINC001170291063 1162333728 /nfs/dbraw/zinc/33/37/28/1162333728.db2.gz GRYZNAWMFRAXKU-SNVBAGLBSA-N 1 0 295.339 1.260 20 5 CDBDRO C[C@@H](Nc1c(Cl)nccc1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001170565132 1162932976 /nfs/dbraw/zinc/93/29/76/1162932976.db2.gz UGOBGXZHTDPKIL-APPZFPTMSA-N 1 0 286.719 1.432 20 5 CDBDRO O=C(CN[C@H]1CC[C@H](C[N+](=O)[O-])C1)OCc1ccccc1 ZINC001168966804 1161996162 /nfs/dbraw/zinc/99/61/62/1161996162.db2.gz LGGGGFCPJJTWNH-KBPBESRZSA-N 1 0 292.335 1.765 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cnn(CCF)c2)C1 ZINC001168998611 1161997187 /nfs/dbraw/zinc/99/71/87/1161997187.db2.gz PAHKWSRGJUVHRU-CMPLNLGQSA-N 1 0 270.308 1.388 20 5 CDBDRO Cc1cnc(C[NH3+])n1-c1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001169029443 1161997513 /nfs/dbraw/zinc/99/75/13/1161997513.db2.gz PQYJOTDBPQHSLO-UHFFFAOYSA-N 1 0 272.268 1.424 20 5 CDBDRO C[C@H]1C[C@H](C)[NH+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609157213 1164802277 /nfs/dbraw/zinc/80/22/77/1164802277.db2.gz PQPWBHVYNOWKAT-IUCAKERBSA-N 1 0 288.311 1.758 20 5 CDBDRO COc1ccc(CO[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000051782077 1166745107 /nfs/dbraw/zinc/74/51/07/1166745107.db2.gz WEMORHLIGDSYLA-JTQLQIEISA-N 1 0 252.270 1.482 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)C(C)C ZINC000054132516 1166915510 /nfs/dbraw/zinc/91/55/10/1166915510.db2.gz XVROVAYPBLQYJX-UHFFFAOYSA-N 1 0 294.355 1.707 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC001325427070 1167463218 /nfs/dbraw/zinc/46/32/18/1167463218.db2.gz ITLNODCUIBCQQL-JTQLQIEISA-N 1 0 292.339 1.447 20 5 CDBDRO CC(C)(C(=O)N1CCC[C@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC001575098960 1171112364 /nfs/dbraw/zinc/11/23/64/1171112364.db2.gz IUESOUWREOCDHR-NSHDSACASA-N 1 0 291.351 1.822 20 5 CDBDRO COc1cccc(C(=O)N[C@H]2C[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC001579260293 1172127783 /nfs/dbraw/zinc/12/77/83/1172127783.db2.gz ZFZRFGJREOUNHJ-KYZUINATSA-N 1 0 279.296 1.071 20 5 CDBDRO [NH3+][C@H](Cc1ccccn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001580409419 1172427032 /nfs/dbraw/zinc/42/70/32/1172427032.db2.gz GTCLBCWDAGQBNF-CYBMUJFWSA-N 1 0 286.291 1.498 20 5 CDBDRO C[C@@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)[NH+](C)C ZINC001589876757 1173193380 /nfs/dbraw/zinc/19/33/80/1173193380.db2.gz PMUAPRLXUWIUIX-QMMMGPOBSA-N 1 0 291.315 1.137 20 5 CDBDRO CC[C@@]1(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000136481394 1175828023 /nfs/dbraw/zinc/82/80/23/1175828023.db2.gz OVVARNNGBSFVAX-CQSZACIVSA-N 1 0 293.323 1.932 20 5 CDBDRO CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001753580785 1185258480 /nfs/dbraw/zinc/25/84/80/1185258480.db2.gz RIDIBXXPFSTBAV-AAVRWANBSA-N 1 0 295.383 1.635 20 5 CDBDRO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCC(F)(F)F ZINC000839735792 726261362 /nfs/dbraw/zinc/26/13/62/726261362.db2.gz FWPFDHMMTPJMAA-RKDXNWHRSA-N 1 0 297.277 1.042 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001165040591 721892559 /nfs/dbraw/zinc/89/25/59/721892559.db2.gz ZCZVNADLCLZVFL-SECBINFHSA-N 1 0 265.317 1.102 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000886037606 726010103 /nfs/dbraw/zinc/01/01/03/726010103.db2.gz MFOIIUKAZSPDLV-ZDUSSCGKSA-N 1 0 263.297 1.602 20 5 CDBDRO C[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702057410 726011437 /nfs/dbraw/zinc/01/14/37/726011437.db2.gz VAFHAJLXLQNONM-UHFFFAOYSA-N 1 0 271.704 1.588 20 5 CDBDRO Nc1ccc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC000829010222 726012515 /nfs/dbraw/zinc/01/25/15/726012515.db2.gz LNWWMBRZQHFMLR-TXEJJXNPSA-N 1 0 292.339 1.452 20 5 CDBDRO COC[C@@]1(CO)CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000832395374 726014567 /nfs/dbraw/zinc/01/45/67/726014567.db2.gz PLOUIMJFTXSTPO-AWEZNQCLSA-N 1 0 298.314 1.565 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000846741455 726016724 /nfs/dbraw/zinc/01/67/24/726016724.db2.gz DATQRUWJKQSLEN-IUCAKERBSA-N 1 0 278.312 1.129 20 5 CDBDRO COc1ccc(CN2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000131601065 726019861 /nfs/dbraw/zinc/01/98/61/726019861.db2.gz SVACIUJHKBHBGW-PWSUYJOCSA-N 1 0 279.340 1.773 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702061291 726070706 /nfs/dbraw/zinc/07/07/06/726070706.db2.gz ANWKUBKILAPUSE-VIFPVBQESA-N 1 0 297.742 1.978 20 5 CDBDRO CCN(CCC[NH+](C)C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000830161289 726094652 /nfs/dbraw/zinc/09/46/52/726094652.db2.gz PQDVGVUQIGCZCO-UHFFFAOYSA-N 1 0 273.377 1.622 20 5 CDBDRO O=[N+]([O-])CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000930457302 726162185 /nfs/dbraw/zinc/16/21/85/726162185.db2.gz AVUQOSPRBOGAMU-ILXRZTDVSA-N 1 0 276.336 1.768 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865507113 726187040 /nfs/dbraw/zinc/18/70/40/726187040.db2.gz ZLZNCDWDOXTTPI-VIFPVBQESA-N 1 0 283.303 1.590 20 5 CDBDRO CCCN(Cc1cccnc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000886827961 726208445 /nfs/dbraw/zinc/20/84/45/726208445.db2.gz UUCVZZQPURAUSE-LBPRGKRZSA-N 1 0 264.329 1.564 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]1CCO ZINC000886146740 726255836 /nfs/dbraw/zinc/25/58/36/726255836.db2.gz BEVJEMMJVZPWJX-LLVKDONJSA-N 1 0 251.286 1.337 20 5 CDBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)CO ZINC000830703549 726261521 /nfs/dbraw/zinc/26/15/21/726261521.db2.gz DGAJAQQKHHTKLM-CYBMUJFWSA-N 1 0 282.340 1.579 20 5 CDBDRO C[C@H](O)C[C@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000228114643 726264129 /nfs/dbraw/zinc/26/41/29/726264129.db2.gz QDEGQAAWFSJMBC-OUJBWJOFSA-N 1 0 268.313 1.377 20 5 CDBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000796205270 726271133 /nfs/dbraw/zinc/27/11/33/726271133.db2.gz XCFZZDOPHNRUNA-UONOGXRCSA-N 1 0 280.324 1.739 20 5 CDBDRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000839529675 726324450 /nfs/dbraw/zinc/32/44/50/726324450.db2.gz VBFXISAWFJMJAD-WRWGMCAJSA-N 1 0 269.345 1.031 20 5 CDBDRO C[NH+](C)CC1(O)CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000710634654 726351190 /nfs/dbraw/zinc/35/11/90/726351190.db2.gz XDOMIVFKPBJYMI-UHFFFAOYSA-N 1 0 279.340 1.488 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)c2ccc(F)cc2)c1 ZINC000819178010 726351597 /nfs/dbraw/zinc/35/15/97/726351597.db2.gz YMYOWKXAZPLNMJ-CYBMUJFWSA-N 1 0 294.286 1.254 20 5 CDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH2+]CC1 ZINC000841854482 726351714 /nfs/dbraw/zinc/35/17/14/726351714.db2.gz AMEFBVDDKLQYIH-UHFFFAOYSA-N 1 0 298.730 1.363 20 5 CDBDRO CC1(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)OCCO1 ZINC000877346434 726358977 /nfs/dbraw/zinc/35/89/77/726358977.db2.gz KKGPICXBHWPNJG-UHFFFAOYSA-N 1 0 280.324 1.880 20 5 CDBDRO CC[C@@H](CO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000844257262 726361137 /nfs/dbraw/zinc/36/11/37/726361137.db2.gz XSCWRYOFYYQCTE-NSHDSACASA-N 1 0 295.339 1.592 20 5 CDBDRO C[C@@H]1C[C@H](C(=O)NCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235367158 726397091 /nfs/dbraw/zinc/39/70/91/726397091.db2.gz YCPKFPMECFTJQR-ZYHUDNBSSA-N 1 0 277.324 1.599 20 5 CDBDRO Cc1nn(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c(C)c1[N+](=O)[O-] ZINC000884482451 726832073 /nfs/dbraw/zinc/83/20/73/726832073.db2.gz BJWTWJWOHIMMFN-OLZOCXBDSA-N 1 0 294.355 1.867 20 5 CDBDRO C[NH+](C)CCCOC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000791794243 726850212 /nfs/dbraw/zinc/85/02/12/726850212.db2.gz JYAWFZVUPKJXQO-UHFFFAOYSA-N 1 0 270.260 1.842 20 5 CDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000037644674 726867920 /nfs/dbraw/zinc/86/79/20/726867920.db2.gz OKEPBNWMINDDHC-JTQLQIEISA-N 1 0 295.314 1.806 20 5 CDBDRO C[C@@]1([NH3+])CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000868078053 726889153 /nfs/dbraw/zinc/88/91/53/726889153.db2.gz IFDZUYVWDPUAGW-CYBMUJFWSA-N 1 0 297.742 1.740 20 5 CDBDRO C[N@H+](CCn1cccn1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582860 726892229 /nfs/dbraw/zinc/89/22/29/726892229.db2.gz WDYZMHGBMIXETL-CQSZACIVSA-N 1 0 290.323 1.457 20 5 CDBDRO CC1(C)[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000884355201 726899853 /nfs/dbraw/zinc/89/98/53/726899853.db2.gz IKVAEIPWPWYOJR-QWHCGFSZSA-N 1 0 291.351 1.769 20 5 CDBDRO CC[C@H](CO)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000857329528 726916902 /nfs/dbraw/zinc/91/69/02/726916902.db2.gz LWPPUGLEQLJXAL-WDEREUQCSA-N 1 0 295.339 1.591 20 5 CDBDRO Cc1c(C[NH2+]CCO[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000724911221 726932974 /nfs/dbraw/zinc/93/29/74/726932974.db2.gz PKFXNNPRJORDFM-ZDUSSCGKSA-N 1 0 280.324 1.798 20 5 CDBDRO CN(CCC[NH+](C)C)CCNc1ccnc(F)c1[N+](=O)[O-] ZINC000882602100 726934694 /nfs/dbraw/zinc/93/46/94/726934694.db2.gz UTUPHHKONDCBIW-UHFFFAOYSA-N 1 0 299.350 1.424 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccccn2)cc1 ZINC000106626379 727005206 /nfs/dbraw/zinc/00/52/06/727005206.db2.gz TZFKVWZHQHCGKQ-CQSZACIVSA-N 1 0 273.292 1.813 20 5 CDBDRO C[C@@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000858632188 727006429 /nfs/dbraw/zinc/00/64/29/727006429.db2.gz RGDIMEXZOLQCOG-DTORHVGOSA-N 1 0 280.284 1.690 20 5 CDBDRO [NH3+][C@@H](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000109504623 727015121 /nfs/dbraw/zinc/01/51/21/727015121.db2.gz GBBBGOBIQVBDNI-NSHDSACASA-N 1 0 274.280 1.925 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000194876868 727019632 /nfs/dbraw/zinc/01/96/32/727019632.db2.gz MXCLYQNALWPMFO-ZCFIWIBFSA-N 1 0 257.677 1.325 20 5 CDBDRO C[C@H]1CCC[N@@H+]1CCNc1ncc([N+](=O)[O-])s1 ZINC000799939172 727021649 /nfs/dbraw/zinc/02/16/49/727021649.db2.gz FGFVUXZEMNSHQC-QMMMGPOBSA-N 1 0 256.331 1.948 20 5 CDBDRO O=[N+]([O-])c1c(F)cccc1NC[C@H]1CCC[N@H+]1CCCO ZINC000828420541 727070947 /nfs/dbraw/zinc/07/09/47/727070947.db2.gz DOOVPRFYMULQNX-LLVKDONJSA-N 1 0 297.330 1.993 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CC[C@@H](CO)CC2)cc1 ZINC000843080731 727124760 /nfs/dbraw/zinc/12/47/60/727124760.db2.gz ZYMJTOKEIHVCGL-LNSITVRQSA-N 1 0 294.351 1.769 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834905000 727159217 /nfs/dbraw/zinc/15/92/17/727159217.db2.gz DQTIXGJGXOEJID-YMTOWFKASA-N 1 0 279.340 1.989 20 5 CDBDRO C[C@@]1(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[NH2+]C1 ZINC000062917562 727177758 /nfs/dbraw/zinc/17/77/58/727177758.db2.gz JTOSLIWZUFDODL-CYBMUJFWSA-N 1 0 274.280 1.896 20 5 CDBDRO CCC[N@H+](CC[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000929694820 727226265 /nfs/dbraw/zinc/22/62/65/727226265.db2.gz AZBGOIHMPIQRQO-IJLUTSLNSA-N 1 0 256.346 1.789 20 5 CDBDRO CC(C)Oc1nc(NC[C@@H](O)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000848644798 727251273 /nfs/dbraw/zinc/25/12/73/727251273.db2.gz QDYWIYHFQAWIJQ-SNVBAGLBSA-N 1 0 298.343 1.111 20 5 CDBDRO O=[N+]([O-])c1cnc2ccccc2c1NC[C@@H]1C[NH2+]CCO1 ZINC000130607130 727301907 /nfs/dbraw/zinc/30/19/07/727301907.db2.gz BJBTUOLUFGPYQD-JTQLQIEISA-N 1 0 288.307 1.543 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000089091525 727323509 /nfs/dbraw/zinc/32/35/09/727323509.db2.gz AVQCJQVNADHARK-CABZTGNLSA-N 1 0 278.312 1.844 20 5 CDBDRO C[C@@H]1CN(CC[N+](=O)[O-])C[C@H]1NC(=O)OC(C)(C)C ZINC000932720901 727329508 /nfs/dbraw/zinc/32/95/08/727329508.db2.gz SYGNSSFZPRGQTO-NXEZZACHSA-N 1 0 273.333 1.108 20 5 CDBDRO Cc1ccc(-c2noc(C[C@H](C)[NH3+])n2)cc1[N+](=O)[O-] ZINC000843178863 727348724 /nfs/dbraw/zinc/34/87/24/727348724.db2.gz OAUQBPKCOLZMNA-QMMMGPOBSA-N 1 0 262.269 1.843 20 5 CDBDRO [NH3+]CCc1noc(Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000843130796 727354354 /nfs/dbraw/zinc/35/43/54/727354354.db2.gz ADUHBSTVLFZMCM-UHFFFAOYSA-N 1 0 282.687 1.723 20 5 CDBDRO C[NH2+]C[C@H](C)c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000843222456 727366291 /nfs/dbraw/zinc/36/62/91/727366291.db2.gz RBGRLZOZTGBZOA-LURJTMIESA-N 1 0 280.288 1.010 20 5 CDBDRO CC[C@H](NC(=O)[C@H]([NH3+])COC)c1cccc([N+](=O)[O-])c1 ZINC000262329309 727369659 /nfs/dbraw/zinc/36/96/59/727369659.db2.gz RKRGQTSDDAESLW-NEPJUHHUSA-N 1 0 281.312 1.136 20 5 CDBDRO C[NH+](C)CCONC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000839781573 727397424 /nfs/dbraw/zinc/39/74/24/727397424.db2.gz UEXXQPTWODTOEQ-QWHCGFSZSA-N 1 0 293.323 1.308 20 5 CDBDRO C[C@@H](CN1CCOCC1)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000886176608 727398508 /nfs/dbraw/zinc/39/85/08/727398508.db2.gz HFEAEKPTNSLRQW-LBPRGKRZSA-N 1 0 294.355 1.142 20 5 CDBDRO [NH2+]=C(NCCc1ccc([N+](=O)[O-])cc1)NC1CCC1 ZINC000848996121 727404904 /nfs/dbraw/zinc/40/49/04/727404904.db2.gz HPFYUGNKVQHYNX-UHFFFAOYSA-N 1 0 262.313 1.804 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700608470 727421264 /nfs/dbraw/zinc/42/12/64/727421264.db2.gz HULKKWUKFJSZQT-VIFPVBQESA-N 1 0 283.715 1.730 20 5 CDBDRO CCC[C@@H]1C[NH2+]CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886833378 727468638 /nfs/dbraw/zinc/46/86/38/727468638.db2.gz XKNNXJFUQMIFTE-GFCCVEGCSA-N 1 0 264.329 1.564 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841855200 727803163 /nfs/dbraw/zinc/80/31/63/727803163.db2.gz IBMAGDJPTUEXSY-ZETCQYMHSA-N 1 0 286.719 1.395 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1-c1nc(C2([NH3+])CCCC2)no1 ZINC000842597550 727803487 /nfs/dbraw/zinc/80/34/87/727803487.db2.gz YFRSWGNURYFCOS-UHFFFAOYSA-N 1 0 289.295 1.955 20 5 CDBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(CC[N+](=O)[O-])C1 ZINC000930999787 727806742 /nfs/dbraw/zinc/80/67/42/727806742.db2.gz MUQIORICIGZDED-OAHLLOKOSA-N 1 0 277.368 1.512 20 5 CDBDRO Cc1cc(C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)cc([N+](=O)[O-])c1 ZINC000877394044 727810756 /nfs/dbraw/zinc/81/07/56/727810756.db2.gz SOUYVEROAFCMFP-HIFRSBDPSA-N 1 0 289.335 1.918 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)O[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000810840517 727811659 /nfs/dbraw/zinc/81/16/59/727811659.db2.gz HIMRDYIXDAVNTL-CMPLNLGQSA-N 1 0 293.323 1.717 20 5 CDBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCN1CCOC1=O ZINC000796113112 727819206 /nfs/dbraw/zinc/81/92/06/727819206.db2.gz HAOHCBWOGAWQBZ-UHFFFAOYSA-N 1 0 293.323 1.521 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH3+])c1C ZINC000884269640 727837169 /nfs/dbraw/zinc/83/71/69/727837169.db2.gz SVYAIVDWMZUXCX-QMMMGPOBSA-N 1 0 251.286 1.289 20 5 CDBDRO C[C@H](COC(=O)c1cccc(C[NH+](C)C)c1)[N+](=O)[O-] ZINC000835455844 727862451 /nfs/dbraw/zinc/86/24/51/727862451.db2.gz PVUMKXWZDLDTDA-SNVBAGLBSA-N 1 0 266.297 1.570 20 5 CDBDRO Cc1ccc(Cn2cc(C[NH2+]C3CC3)nn2)cc1[N+](=O)[O-] ZINC000881213254 727870279 /nfs/dbraw/zinc/87/02/79/727870279.db2.gz YSSBISZUXYNYKO-UHFFFAOYSA-N 1 0 287.323 1.795 20 5 CDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000928564009 727898812 /nfs/dbraw/zinc/89/88/12/727898812.db2.gz SSNGFOIVZBTNJC-LLVKDONJSA-N 1 0 297.742 1.611 20 5 CDBDRO C[C@H](O)[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000780357584 727978459 /nfs/dbraw/zinc/97/84/59/727978459.db2.gz CTTLSFWFMUFDAI-SUHUHFCYSA-N 1 0 280.324 1.331 20 5 CDBDRO CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000826086461 727998464 /nfs/dbraw/zinc/99/84/64/727998464.db2.gz VFCYGDYNOQKOJO-NSHDSACASA-N 1 0 271.361 1.375 20 5 CDBDRO NC(=O)c1cccc(CN(CC[N+](=O)[O-])C2CC2)c1 ZINC000930604829 728003823 /nfs/dbraw/zinc/00/38/23/728003823.db2.gz TXNFRAZGADKUHH-UHFFFAOYSA-N 1 0 263.297 1.027 20 5 CDBDRO Cc1cc(C(=O)NCC2([NH3+])CCCC2)c(N)c([N+](=O)[O-])c1 ZINC000852852842 728051427 /nfs/dbraw/zinc/05/14/27/728051427.db2.gz KTUTXKURQJJLBJ-UHFFFAOYSA-N 1 0 292.339 1.487 20 5 CDBDRO CN(CC[NH3+])C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700608650 728085460 /nfs/dbraw/zinc/08/54/60/728085460.db2.gz LCMKTZONBDOGIW-UHFFFAOYSA-N 1 0 257.677 1.279 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2nccs2)cc1 ZINC000818988700 728183075 /nfs/dbraw/zinc/18/30/75/728183075.db2.gz RIPYSNAAFNBUDE-GFCCVEGCSA-N 1 0 293.348 1.917 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)CO ZINC000866274600 728201270 /nfs/dbraw/zinc/20/12/70/728201270.db2.gz OTLZJMUVMPFZMN-BDAKNGLRSA-N 1 0 256.277 1.635 20 5 CDBDRO [NH3+]CCCc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000843184742 728232745 /nfs/dbraw/zinc/23/27/45/728232745.db2.gz JEJYUVSQRGWZHL-UHFFFAOYSA-N 1 0 291.311 1.524 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000890079882 728286558 /nfs/dbraw/zinc/28/65/58/728286558.db2.gz JRDZLVUSPLPMNB-UHFFFAOYSA-N 1 0 294.355 1.395 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000867996009 728352358 /nfs/dbraw/zinc/35/23/58/728352358.db2.gz NEPOUYXWNBQSHI-JTQLQIEISA-N 1 0 265.313 1.375 20 5 CDBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1C[C@@H](O)C1 ZINC000859971749 728361060 /nfs/dbraw/zinc/36/10/60/728361060.db2.gz NNCJCLHYFCCYNU-GDLCADMTSA-N 1 0 280.324 1.331 20 5 CDBDRO CCC[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC001173220193 912305172 /nfs/dbraw/zinc/30/51/72/912305172.db2.gz VQMVJXOPFRGOPS-GWCFXTLKSA-N 1 0 279.340 1.769 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH3+])C1 ZINC001173217749 912302945 /nfs/dbraw/zinc/30/29/45/912302945.db2.gz LXFOXTJBZRIUBQ-AAEUAGOBSA-N 1 0 263.341 1.949 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)NC1CCC1 ZINC001173221717 912306476 /nfs/dbraw/zinc/30/64/76/912306476.db2.gz PEDXNDQCHOTJCD-NSHDSACASA-N 1 0 291.351 1.784 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C(N)=O ZINC001173225054 912315578 /nfs/dbraw/zinc/31/55/78/912315578.db2.gz BDJNBCKMCZHNRM-RISCZKNCSA-N 1 0 291.351 1.866 20 5 CDBDRO Cc1ncc(C[NH3+])c(=N)n1-c1cc(F)cc(F)c1[N+](=O)[O-] ZINC001167674497 897665159 /nfs/dbraw/zinc/66/51/59/897665159.db2.gz SPSADQVEHXMDEB-UHFFFAOYSA-N 1 0 295.249 1.305 20 5 CDBDRO C[C@@H]([NH3+])c1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000311645736 898883749 /nfs/dbraw/zinc/88/37/49/898883749.db2.gz CXZNQSIFFHDDBM-SSDOTTSWSA-N 1 0 265.248 1.393 20 5 CDBDRO CCOc1cc(-n2ccc(CC[NH3+])n2)ccc1[N+](=O)[O-] ZINC001167731749 899515100 /nfs/dbraw/zinc/51/51/00/899515100.db2.gz UHGLOJZTYLDFMF-UHFFFAOYSA-N 1 0 276.296 1.680 20 5 CDBDRO [NH3+]C[C@H]1COc2ccccc2N1c1nccnc1[N+](=O)[O-] ZINC001171389551 909565413 /nfs/dbraw/zinc/56/54/13/909565413.db2.gz NFMRCNDTHOTPNS-VIFPVBQESA-N 1 0 287.279 1.243 20 5 CDBDRO CCC/C=C\CC[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936917 909942477 /nfs/dbraw/zinc/94/24/77/909942477.db2.gz WTEYZJDEVDSAAF-XLMCQVRKSA-N 1 0 269.345 1.104 20 5 CDBDRO C[NH+](C)CCC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001094090156 910324339 /nfs/dbraw/zinc/32/43/39/910324339.db2.gz ZZCAVVNWDRBOGT-UHFFFAOYSA-N 1 0 280.328 1.075 20 5 CDBDRO Cc1ccc2c(ccnc2-n2ccnc2C(N)=[NH2+])c1[N+](=O)[O-] ZINC001168411844 911905473 /nfs/dbraw/zinc/90/54/73/911905473.db2.gz MHDWIVAINBTKLX-UHFFFAOYSA-N 1 0 296.290 1.921 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1(CO)CC1)CC2 ZINC001172898175 912039649 /nfs/dbraw/zinc/03/96/49/912039649.db2.gz HIIVXIBYAJWWAK-ZDUSSCGKSA-N 1 0 276.336 1.957 20 5 CDBDRO CC(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178449637 915416556 /nfs/dbraw/zinc/41/65/56/915416556.db2.gz BONVSVTXVVQRJE-ZIAGYGMSSA-N 1 0 299.415 1.964 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](Nc2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])C1 ZINC001162391502 922478057 /nfs/dbraw/zinc/47/80/57/922478057.db2.gz NKHYUXYQCITIPZ-SFYZADRCSA-N 1 0 286.719 1.563 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N(C)CC[NH+](C)C)n1 ZINC001163590194 924011629 /nfs/dbraw/zinc/01/16/29/924011629.db2.gz VWNQOPIYCHGDSW-UHFFFAOYSA-N 1 0 272.736 1.949 20 5 CDBDRO CN(CCC[NH+](C)C)c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001163595666 924018158 /nfs/dbraw/zinc/01/81/58/924018158.db2.gz SHJLWPROQLCQBR-UHFFFAOYSA-N 1 0 289.339 1.926 20 5 CDBDRO CC[N+](C)(C)Cc1ccccc1NCC(=O)OC ZINC001164561640 924941590 /nfs/dbraw/zinc/94/15/90/924941590.db2.gz ABALKKNOKMCIBN-UHFFFAOYSA-N 1 0 251.350 1.868 20 5 CDBDRO C[NH+]1C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)C[C@H]2C1 ZINC001165145717 924987149 /nfs/dbraw/zinc/98/71/49/924987149.db2.gz VRUFDTIEYRNXCW-RKDXNWHRSA-N 1 0 282.731 1.641 20 5 CDBDRO [NH3+][C@]12C[C@H]1CN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])C2 ZINC001165316484 925017682 /nfs/dbraw/zinc/01/76/82/925017682.db2.gz ZSBLERBXAJWHAZ-RRAGMBSWSA-N 1 0 289.122 1.834 20 5 CDBDRO C[NH+](C)CCn1cc(Nc2cc(O)cc([N+](=O)[O-])c2)cn1 ZINC001199802308 925867677 /nfs/dbraw/zinc/86/76/77/925867677.db2.gz OJYHCHSXMSYJHG-UHFFFAOYSA-N 1 0 291.311 1.802 20 5 CDBDRO C[NH2+]C[C@H](C)c1noc(COc2ccc([N+](=O)[O-])cc2)n1 ZINC000842578586 937062927 /nfs/dbraw/zinc/06/29/27/937062927.db2.gz ZFAHXEXMNDKLFN-VIFPVBQESA-N 1 0 292.295 1.880 20 5 CDBDRO CC(C)[NH+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776276946 926537162 /nfs/dbraw/zinc/53/71/62/926537162.db2.gz LYRRBBDQUBAFGL-HNNXBMFYSA-N 1 0 293.367 1.654 20 5 CDBDRO CC[C@@H](O)CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843093965 937111790 /nfs/dbraw/zinc/11/17/90/937111790.db2.gz SCWHAROHLPDCHB-ZIAGYGMSSA-N 1 0 282.340 1.769 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1-n1cnc2ccc(C[NH3+])cc21 ZINC001168841886 927485198 /nfs/dbraw/zinc/48/51/98/927485198.db2.gz KAPPQTRPQPYKEH-UHFFFAOYSA-N 1 0 298.306 1.829 20 5 CDBDRO CCN1CCCC[C@H]1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851128393 927524010 /nfs/dbraw/zinc/52/40/10/927524010.db2.gz VAILCUVGBXSNNW-JTQLQIEISA-N 1 0 258.318 1.459 20 5 CDBDRO O=C1CCC2(CCC([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)N1 ZINC001168979495 927567567 /nfs/dbraw/zinc/56/75/67/927567567.db2.gz YPMWNRKYFUUUJG-SDFYHXNISA-N 1 0 295.383 1.613 20 5 CDBDRO COc1nccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168979459 927568843 /nfs/dbraw/zinc/56/88/43/927568843.db2.gz YFJLUGZYVWKNSI-NXEZZACHSA-N 1 0 266.301 1.020 20 5 CDBDRO COC(=O)C12CC([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)(C1)C2 ZINC001168965321 927590056 /nfs/dbraw/zinc/59/00/56/927590056.db2.gz ZSTZRUGQNRGXBF-ITSCGTHASA-N 1 0 268.313 1.117 20 5 CDBDRO Cc1cc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)n(C)n1 ZINC001168969060 927590909 /nfs/dbraw/zinc/59/09/09/927590909.db2.gz BUKBHWCZTOAQTB-MNOVXSKESA-N 1 0 252.318 1.264 20 5 CDBDRO CCOC(=O)CCCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168970939 927593967 /nfs/dbraw/zinc/59/39/67/927593967.db2.gz JHTYHSZMUJRVAD-RYUDHWBXSA-N 1 0 272.345 1.755 20 5 CDBDRO CSCC[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)(C)O ZINC001168972401 927596752 /nfs/dbraw/zinc/59/67/52/927596752.db2.gz MTYHPEFRZROBTF-SDDRHHMPSA-N 1 0 290.429 1.914 20 5 CDBDRO CC(C)(C)C(=O)N1CC[C@@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168995712 927602982 /nfs/dbraw/zinc/60/29/82/927602982.db2.gz SQLNDHHHRFGILE-RWMBFGLXSA-N 1 0 297.399 1.668 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](CO)c2ccccc2F)C1 ZINC001168997217 927603196 /nfs/dbraw/zinc/60/31/96/927603196.db2.gz BXNYHNIOZNBGSC-UHIISALHSA-N 1 0 282.315 1.894 20 5 CDBDRO COC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169005928 927608378 /nfs/dbraw/zinc/60/83/78/927608378.db2.gz DHZPEUIQASJJRO-UTUOFQBUSA-N 1 0 270.329 1.317 20 5 CDBDRO CCn1cnc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169006273 927608770 /nfs/dbraw/zinc/60/87/70/927608770.db2.gz XCIFGHMTFUTATP-QWRGUYRKSA-N 1 0 252.318 1.438 20 5 CDBDRO COc1cccc([C@@H](CO)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169005641 927609022 /nfs/dbraw/zinc/60/90/22/927609022.db2.gz BUOXWAWNFHXUEG-OSAQELSMSA-N 1 0 294.351 1.764 20 5 CDBDRO O=C1CC2(CN1)CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169006410 927611964 /nfs/dbraw/zinc/61/19/64/927611964.db2.gz HVDSZXGZLNWASD-RYUDHWBXSA-N 1 0 281.356 1.034 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@@H]3CCO)CC2)C1 ZINC001169012886 927619062 /nfs/dbraw/zinc/61/90/62/927619062.db2.gz SLSUTQWSXAKFNQ-HZSPNIEDSA-N 1 0 282.384 1.916 20 5 CDBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168986616 927622114 /nfs/dbraw/zinc/62/21/14/927622114.db2.gz XQFACRJUQZHXQW-RVMXOQNASA-N 1 0 284.356 1.753 20 5 CDBDRO CCC(=O)N1CCC(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168990947 927629444 /nfs/dbraw/zinc/62/94/44/927629444.db2.gz FTLJVSHGZGDKNI-KGLIPLIRSA-N 1 0 297.399 1.670 20 5 CDBDRO Cn1cc2c(n1)CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169035346 927644275 /nfs/dbraw/zinc/64/42/75/927644275.db2.gz KMHAORQMEOALLF-CMPLNLGQSA-N 1 0 264.329 1.224 20 5 CDBDRO CC(C)O[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169037037 927647299 /nfs/dbraw/zinc/64/72/99/927647299.db2.gz HYMCIFAOVXRROA-YNEHKIRRSA-N 1 0 256.346 1.931 20 5 CDBDRO O=C1OCCN1C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169039471 927649913 /nfs/dbraw/zinc/64/99/13/927649913.db2.gz PWHJXMNZOSOUHV-AAEUAGOBSA-N 1 0 297.355 1.348 20 5 CDBDRO CCO[C@@H]1C[C@H]2CN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[N@@H+]2C1 ZINC001169019205 927659675 /nfs/dbraw/zinc/65/96/75/927659675.db2.gz FPJFCUCAXAJRBY-CBBWQLFWSA-N 1 0 297.399 1.227 20 5 CDBDRO O=C1CCC[C@]2(CCC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)N1 ZINC001169018254 927660690 /nfs/dbraw/zinc/66/06/90/927660690.db2.gz AEFMDYNVZAUEAD-UMVBOHGHSA-N 1 0 295.383 1.567 20 5 CDBDRO CCCCN1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169024437 927662476 /nfs/dbraw/zinc/66/24/76/927662476.db2.gz HDIHJXRJXLXOCA-KBPBESRZSA-N 1 0 269.389 1.850 20 5 CDBDRO C[N@H+](CCn1cccn1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582857 927748429 /nfs/dbraw/zinc/74/84/29/927748429.db2.gz WDYZMHGBMIXETL-AWEZNQCLSA-N 1 0 290.323 1.457 20 5 CDBDRO [NH3+]Cc1cnnn1-c1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001169310274 927945507 /nfs/dbraw/zinc/94/55/07/927945507.db2.gz SZCZHDZTQWBLHO-UHFFFAOYSA-N 1 0 258.241 1.116 20 5 CDBDRO CCOc1cc([N+](=O)[O-])ccc1-n1nncc1C[NH3+] ZINC001169309615 927946845 /nfs/dbraw/zinc/94/68/45/927946845.db2.gz FIJHWKMBNCQAJF-UHFFFAOYSA-N 1 0 263.257 1.033 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2ccc(C[NH3+])c2)n1 ZINC001169716783 928373249 /nfs/dbraw/zinc/37/32/49/928373249.db2.gz PNHBDYZKOWLQDO-UHFFFAOYSA-N 1 0 276.252 1.026 20 5 CDBDRO CC[C@H](CO)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000857329523 928694896 /nfs/dbraw/zinc/69/48/96/928694896.db2.gz LWPPUGLEQLJXAL-GHMZBOCLSA-N 1 0 295.339 1.591 20 5 CDBDRO CN(c1ncnc2cc(F)c([N+](=O)[O-])cc21)C(C)(C)C[NH3+] ZINC001170052688 929186514 /nfs/dbraw/zinc/18/65/14/929186514.db2.gz LNUWUDBDLAAZMI-UHFFFAOYSA-N 1 0 293.302 1.851 20 5 CDBDRO OC[C@@H]1C[NH2+]C[C@@H]1Nc1cc2cccnc2c2ncccc12 ZINC001170782871 929981801 /nfs/dbraw/zinc/98/18/01/929981801.db2.gz OSAZUNCJZSLGAE-WFASDCNBSA-N 1 0 294.358 1.775 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+](C)CCOCCO)c1 ZINC000882951516 930109146 /nfs/dbraw/zinc/10/91/46/930109146.db2.gz IOXNKYUBSNHFRF-UHFFFAOYSA-N 1 0 297.355 1.256 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000131620709 930188306 /nfs/dbraw/zinc/18/83/06/930188306.db2.gz PZDFRTPWQSQXAY-VHSXEESVSA-N 1 0 267.304 1.903 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC[C@@H](O)[C@@H](O)CC2)c1 ZINC000886257539 930842257 /nfs/dbraw/zinc/84/22/57/930842257.db2.gz DBZUYHYFLKOIGW-DEZZGGKRSA-N 1 0 280.324 1.349 20 5 CDBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000822793551 931203813 /nfs/dbraw/zinc/20/38/13/931203813.db2.gz ATMYQYFKBFQEGM-CYBMUJFWSA-N 1 0 295.314 1.804 20 5 CDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001154063873 937498721 /nfs/dbraw/zinc/49/87/21/937498721.db2.gz DFQQCSUZCNITOH-UHFFFAOYSA-N 1 0 277.324 1.601 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000843509521 931506225 /nfs/dbraw/zinc/50/62/25/931506225.db2.gz ZEFMYYCPEVLNJQ-BDAKNGLRSA-N 1 0 283.303 1.898 20 5 CDBDRO [NH3+][C@@H]1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC(F)(F)C1 ZINC001246590469 932013664 /nfs/dbraw/zinc/01/36/64/932013664.db2.gz UOCKNLPINKZNMP-UTLUCORTSA-N 1 0 263.288 1.100 20 5 CDBDRO Cc1cc(NC(=O)[C@@H]([NH3+])CC(F)F)cc([N+](=O)[O-])c1 ZINC001122599573 937944534 /nfs/dbraw/zinc/94/45/34/937944534.db2.gz NWRFRSPAAQIJIR-VIFPVBQESA-N 1 0 273.239 1.824 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(NCC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC001156380349 938360641 /nfs/dbraw/zinc/36/06/41/938360641.db2.gz ZHTYMQQMCAYMES-NSHDSACASA-N 1 0 279.344 1.837 20 5 CDBDRO [NH3+]Cc1cnc2c(ccn2-c2cccc([N+](=O)[O-])n2)c1 ZINC001156593654 938390084 /nfs/dbraw/zinc/39/00/84/938390084.db2.gz LOQXBRUZSZJOKS-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO C[NH2+]CCNc1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001156893720 938430532 /nfs/dbraw/zinc/43/05/32/938430532.db2.gz QJISQFQCQPQWOZ-UHFFFAOYSA-N 1 0 273.296 1.683 20 5 CDBDRO N=C(Nc1ncc(F)cc1[N+](=O)[O-])SCC[NH3+] ZINC001157128445 938456744 /nfs/dbraw/zinc/45/67/44/938456744.db2.gz ODMDBWNNPVCWBF-UHFFFAOYSA-N 1 0 259.266 1.167 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c(N)n3)C[C@@H]21 ZINC001157271577 938473517 /nfs/dbraw/zinc/47/35/17/938473517.db2.gz ISZPRACTMZXEQQ-KOLCDFICSA-N 1 0 277.328 1.102 20 5 CDBDRO CCC1(Nc2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)C[NH2+]C1 ZINC001157784662 938545118 /nfs/dbraw/zinc/54/51/18/938545118.db2.gz HPUPEQJAAHGXRR-AATRIKPKSA-N 1 0 291.355 1.686 20 5 CDBDRO C[C@H]1CN(c2cc(Cl)ncc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001158175059 938590354 /nfs/dbraw/zinc/59/03/54/938590354.db2.gz BFWFMESFYWTVHB-YUMQZZPRSA-N 1 0 270.720 1.830 20 5 CDBDRO CCN(c1ncc([N+](=O)[O-])cc1N)[C@H]1CCC[NH2+]C1 ZINC001158205288 938595118 /nfs/dbraw/zinc/59/51/18/938595118.db2.gz PPDZFPRYFGLCLI-VIFPVBQESA-N 1 0 265.317 1.150 20 5 CDBDRO C[C@]1(C[NH3+])CCCN(c2cc([N+](=O)[O-])ccn2)C1 ZINC001158673896 938648742 /nfs/dbraw/zinc/64/87/42/938648742.db2.gz OETNNALCUUMRFD-GFCCVEGCSA-N 1 0 250.302 1.555 20 5 CDBDRO Cc1nc(-n2nnc3ccc(C[NH3+])cc32)ccc1[N+](=O)[O-] ZINC001159026345 938693005 /nfs/dbraw/zinc/69/30/05/938693005.db2.gz JBVRXPULDWNYAT-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO O=[N+]([O-])c1ccc2ccnc(N[C@@H]3C[NH2+]C[C@H]3CO)c2c1 ZINC001159683315 938745338 /nfs/dbraw/zinc/74/53/38/938745338.db2.gz VBGVMBGNDWSLNE-GXFFZTMASA-N 1 0 288.307 1.135 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1ncc([N+](=O)[O-])c(C)c1C ZINC001159744116 938749273 /nfs/dbraw/zinc/74/92/73/938749273.db2.gz PBNRYFAYBVRBBP-LLVKDONJSA-N 1 0 254.290 1.076 20 5 CDBDRO [NH3+]Cc1ccc2cn(-c3cccc([N+](=O)[O-])n3)nc2c1 ZINC001160140657 938770632 /nfs/dbraw/zinc/77/06/32/938770632.db2.gz KQQJJCIYPQTYOX-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CCNc1ncc([N+](=O)[O-])cc1N ZINC001160971150 938853071 /nfs/dbraw/zinc/85/30/71/938853071.db2.gz XRJPUOPYMXLQKL-SECBINFHSA-N 1 0 265.317 1.468 20 5 CDBDRO COCCC1([NH3+])CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC001162045224 938953694 /nfs/dbraw/zinc/95/36/94/938953694.db2.gz DZWXCMDZORWLCB-UHFFFAOYSA-N 1 0 295.343 1.027 20 5 CDBDRO Cc1nc(N[C@]2(C)CCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC001162340436 939029414 /nfs/dbraw/zinc/02/94/14/939029414.db2.gz SNJOTPSHEACGPF-GFCCVEGCSA-N 1 0 265.317 1.589 20 5 CDBDRO COc1nc(C)nc(N[C@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001162390828 939042007 /nfs/dbraw/zinc/04/20/07/939042007.db2.gz ITMQIGJXOXCXID-BDAKNGLRSA-N 1 0 281.316 1.384 20 5 CDBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001162455321 939058882 /nfs/dbraw/zinc/05/88/82/939058882.db2.gz RRKDCNQACZOUDF-NXEZZACHSA-N 1 0 298.318 1.415 20 5 CDBDRO CCOc1cnc(NC[C@@H]2C[C@H](F)C[NH2+]2)c([N+](=O)[O-])c1 ZINC001162472328 939062951 /nfs/dbraw/zinc/06/29/51/939062951.db2.gz GDCRDXJMDPIWCP-IUCAKERBSA-N 1 0 284.291 1.500 20 5 CDBDRO [NH3+]Cc1ccnn1-c1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001162585344 939094454 /nfs/dbraw/zinc/09/44/54/939094454.db2.gz DMROVMJPHJMDSL-UHFFFAOYSA-N 1 0 294.702 1.560 20 5 CDBDRO Cc1c(F)cc([N+](=O)[O-])cc1-n1nccc1C[NH3+] ZINC001162597783 939100153 /nfs/dbraw/zinc/10/01/53/939100153.db2.gz SJVLXZHIUPFTGJ-UHFFFAOYSA-N 1 0 250.233 1.687 20 5 CDBDRO COc1nc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)ccc1[N+](=O)[O-] ZINC001162790904 939140732 /nfs/dbraw/zinc/14/07/32/939140732.db2.gz XPPHFZXSWTYBRV-KXUCPTDWSA-N 1 0 276.296 1.184 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N[C@@H]1C=C[C@@H]2C[NH2+]C[C@H]12 ZINC001162795350 939143136 /nfs/dbraw/zinc/14/31/36/939143136.db2.gz VHIROXHLFGSVJQ-HRDYMLBCSA-N 1 0 296.714 1.068 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)c1 ZINC001162798923 939145108 /nfs/dbraw/zinc/14/51/08/939145108.db2.gz VVXITURIFYEZIN-UJNFCWOMSA-N 1 0 296.714 1.068 20 5 CDBDRO [NH3+][C@H]1COC[C@H]1Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001162919816 939161666 /nfs/dbraw/zinc/16/16/66/939161666.db2.gz FRILXIUHUFLDPI-GXSJLCMTSA-N 1 0 278.312 1.007 20 5 CDBDRO COc1nc(NC2CC3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001162981644 939168507 /nfs/dbraw/zinc/16/85/07/939168507.db2.gz LCUWZVKOOFCFNR-UHFFFAOYSA-N 1 0 292.339 1.943 20 5 CDBDRO Cc1cccc(N[C@H]2COCCC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001163074536 939191268 /nfs/dbraw/zinc/19/12/68/939191268.db2.gz UNNOIXCGIIKZKN-LBPRGKRZSA-N 1 0 277.324 1.694 20 5 CDBDRO Cc1c(F)cc([N+](=O)[O-])cc1N[C@@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001163254716 939233575 /nfs/dbraw/zinc/23/35/75/939233575.db2.gz PMHHZAQVRLBGAN-WCQYABFASA-N 1 0 294.286 1.032 20 5 CDBDRO [NH3+]C1(CNc2cnc3cc([N+](=O)[O-])ccc3n2)CCC1 ZINC001163321625 939246990 /nfs/dbraw/zinc/24/69/90/939246990.db2.gz WMXKXCCTDCZAID-UHFFFAOYSA-N 1 0 273.296 1.831 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](Nc2cc([N+](=O)[O-])cc[n+]2[O-])[C@@H](C)C1 ZINC001163357884 939256616 /nfs/dbraw/zinc/25/66/16/939256616.db2.gz NDRYZCAXBOFRTA-WCQYABFASA-N 1 0 294.355 1.759 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC([NH+](C)C)C2)n1 ZINC001163933951 939357522 /nfs/dbraw/zinc/35/75/22/939357522.db2.gz UABYKFNROZNUNW-UHFFFAOYSA-N 1 0 270.720 1.702 20 5 CDBDRO C[C@@H]1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C[C@H]1F ZINC001164178488 939426456 /nfs/dbraw/zinc/42/64/56/939426456.db2.gz HPQSYFDPJDFCNG-PSASIEDQSA-N 1 0 295.318 1.256 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC[C@](C)(C[NH3+])CC1 ZINC001164246773 939441120 /nfs/dbraw/zinc/44/11/20/939441120.db2.gz CLPPXMCVSSJPEA-AWEZNQCLSA-N 1 0 294.355 1.492 20 5 CDBDRO Cc1ccc2c(ccnc2N2CC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001164275616 939444117 /nfs/dbraw/zinc/44/41/17/939444117.db2.gz LXPGVKZIUGJKGN-SNVBAGLBSA-N 1 0 272.308 1.989 20 5 CDBDRO Cc1cc(N2CC[C@H]([NH3+])C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001164280715 939445287 /nfs/dbraw/zinc/44/52/87/939445287.db2.gz FKJHCKFZNFHPNP-LBPRGKRZSA-N 1 0 299.334 1.898 20 5 CDBDRO [NH3+][C@]12C[C@H]1CN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)C2 ZINC001165316504 939545083 /nfs/dbraw/zinc/54/50/83/939545083.db2.gz ZXSRWDYSOKMKTE-MADCSZMMSA-N 1 0 259.269 1.009 20 5 CDBDRO Cc1cc(Cl)nc(N2CCC[C@H]3[NH2+]C[C@@H]32)c1[N+](=O)[O-] ZINC001165394797 939558289 /nfs/dbraw/zinc/55/82/89/939558289.db2.gz ZCCJWBFQAXTGOC-BDAKNGLRSA-N 1 0 282.731 1.892 20 5 CDBDRO [NH3+]C1([C@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@H]2CF)CC1 ZINC001165432105 939564150 /nfs/dbraw/zinc/56/41/50/939564150.db2.gz SYLKACNCODROIA-SCZZXKLOSA-N 1 0 298.293 1.642 20 5 CDBDRO Cc1nc(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)ncc1[N+](=O)[O-] ZINC001165432010 939564272 /nfs/dbraw/zinc/56/42/72/939564272.db2.gz FAHBSMJEDXKRDE-UWVGGRQHSA-N 1 0 295.318 1.206 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]([NH3+])[C@@H](F)C2)n1 ZINC001166930110 939651551 /nfs/dbraw/zinc/65/15/51/939651551.db2.gz MERHVZLPRYRIAO-DTWKUNHWSA-N 1 0 254.265 1.092 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCCc1ccccc1 ZINC001205114748 939824319 /nfs/dbraw/zinc/82/43/19/939824319.db2.gz QENHUHIVPOXVMV-OAHLLOKOSA-N 1 0 280.388 1.620 20 5 CDBDRO CC(=O)c1cccc(O[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001218283695 941051077 /nfs/dbraw/zinc/05/10/77/941051077.db2.gz KVQREXGBDFZZMK-SNVBAGLBSA-N 1 0 264.281 1.928 20 5 CDBDRO Nc1ccc(O[C@@H]2C[NH2+]CCC23CC3)cc1[N+](=O)[O-] ZINC001218405039 941213455 /nfs/dbraw/zinc/21/34/55/941213455.db2.gz QLMIPEXJDHGLHF-GFCCVEGCSA-N 1 0 263.297 1.698 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCc1ccc(-n2cncn2)cc1 ZINC001223380980 941674051 /nfs/dbraw/zinc/67/40/51/941674051.db2.gz CQGJUEDWNKBJTB-CYBMUJFWSA-N 1 0 275.376 1.879 20 5 CDBDRO C[N+](C)(C)CCCO[C@H]1CCCC2(C1)OCCO2 ZINC001224621031 941777174 /nfs/dbraw/zinc/77/71/74/941777174.db2.gz INEBGWAGFTUGOS-ZDUSSCGKSA-N 1 0 258.382 1.785 20 5 CDBDRO C[N+](C)(C)CCOC[C@H]1COc2ccccc2O1 ZINC001224771311 941790097 /nfs/dbraw/zinc/79/00/97/941790097.db2.gz JPBXWYDYTPROGP-LBPRGKRZSA-N 1 0 252.334 1.549 20 5 CDBDRO O=c1cc[nH]c(O[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001225665467 941896128 /nfs/dbraw/zinc/89/61/28/941896128.db2.gz AHGGMGAORDLZMA-JTQLQIEISA-N 1 0 265.269 1.168 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOc2cccc(F)c2[N+](=O)[O-])C1 ZINC001225667542 941896854 /nfs/dbraw/zinc/89/68/54/941896854.db2.gz UHSUTNKYEJBIDQ-SNVBAGLBSA-N 1 0 284.287 1.833 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(S(C)(=O)=O)cc1F ZINC001226084838 941949388 /nfs/dbraw/zinc/94/93/88/941949388.db2.gz BMTSNNYVNQEQDN-SNVBAGLBSA-N 1 0 290.380 1.703 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(N)nn(C)c2c1 ZINC001226288806 941980683 /nfs/dbraw/zinc/98/06/83/941980683.db2.gz SDIUTTDDJBXXJN-JTQLQIEISA-N 1 0 263.365 1.629 20 5 CDBDRO CC(=O)c1cc(C)ccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227085203 942129458 /nfs/dbraw/zinc/12/94/58/942129458.db2.gz AVTUYLAQZXEZNF-CYBMUJFWSA-N 1 0 294.371 1.560 20 5 CDBDRO COC(=O)c1cccc([N+](=O)[O-])c1OC1CC[NH+](C)CC1 ZINC001227122310 942137196 /nfs/dbraw/zinc/13/71/96/942137196.db2.gz MJNLFJHZGUXGPH-UHFFFAOYSA-N 1 0 294.307 1.854 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2ccc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001227295038 942164390 /nfs/dbraw/zinc/16/43/90/942164390.db2.gz IBLTVALNZVIEDK-LLVKDONJSA-N 1 0 294.307 1.854 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(F)cc(Cl)c1 ZINC001227855183 942238448 /nfs/dbraw/zinc/23/84/48/942238448.db2.gz LRXZYDHOKYMFTD-LLVKDONJSA-N 1 0 290.742 1.842 20 5 CDBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cncc([N+](=O)[O-])c1)C2 ZINC001227988916 942252524 /nfs/dbraw/zinc/25/25/24/942252524.db2.gz ZJDKTFKBOSMYAK-IAZYJMLFSA-N 1 0 263.297 1.994 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@H](Oc2ncncc2[N+](=O)[O-])C1 ZINC001228656123 942348853 /nfs/dbraw/zinc/34/88/53/942348853.db2.gz ZQWQZWSAQBQOMB-JTQLQIEISA-N 1 0 266.301 1.636 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@H](C)C[N+](C)(C)C ZINC001229058643 942412791 /nfs/dbraw/zinc/41/27/91/942412791.db2.gz BFJGBPDEONLRFR-SNVBAGLBSA-N 1 0 297.331 1.855 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2n[nH]c(=O)c3cccc([N+](=O)[O-])c32)C1 ZINC001229374740 942460639 /nfs/dbraw/zinc/46/06/39/942460639.db2.gz QUQGUZFALLZPDJ-MRVPVSSYSA-N 1 0 290.279 1.327 20 5 CDBDRO Nc1[nH]c2ccc(O[C@H](C[N+](=O)[O-])C3CC3)cc2[nH+]1 ZINC001230514996 942629584 /nfs/dbraw/zinc/62/95/84/942629584.db2.gz FVZODFJKWDRTOJ-LLVKDONJSA-N 1 0 262.269 1.579 20 5 CDBDRO COC(=O)[C@@H]1Cc2ccc(O[C@@H](C)C[N+](C)(C)C)cc2O1 ZINC001231001659 942754428 /nfs/dbraw/zinc/75/44/28/942754428.db2.gz NKXOEHRPEZZMQB-NHYWBVRUSA-N 1 0 294.371 1.637 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001233702695 943643456 /nfs/dbraw/zinc/64/34/56/943643456.db2.gz PCWQGQAZZJJQLJ-SNVBAGLBSA-N 1 0 281.268 1.976 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001263187671 943781212 /nfs/dbraw/zinc/78/12/12/943781212.db2.gz UPAYVNYBMLWWPF-VVTYTDBCSA-N 1 0 289.335 1.580 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(CC[NH3+])n1 ZINC001261483828 946137616 /nfs/dbraw/zinc/13/76/16/946137616.db2.gz GPBPTGUIFSPELB-UHFFFAOYSA-N 1 0 262.269 1.763 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001262007151 946367971 /nfs/dbraw/zinc/36/79/71/946367971.db2.gz VNXMTVROGUGOHY-ZWNOBZJWSA-N 1 0 289.335 1.955 20 5 CDBDRO C[C@@H](NC(=O)NCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001262583825 946737980 /nfs/dbraw/zinc/73/79/80/946737980.db2.gz JSNUGLPFDZASOD-SNVBAGLBSA-N 1 0 292.339 1.707 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC1OCCO1 ZINC001254539961 947518065 /nfs/dbraw/zinc/51/80/65/947518065.db2.gz NFXVAXLULFBRHT-LLVKDONJSA-N 1 0 280.324 1.878 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCO[C@@H](CO)C1 ZINC001254553166 947521188 /nfs/dbraw/zinc/52/11/88/947521188.db2.gz UAOZAKVGMBCVIT-WCQYABFASA-N 1 0 280.324 1.219 20 5 CDBDRO CN1CC[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254569393 947530470 /nfs/dbraw/zinc/53/04/70/947530470.db2.gz XITBYZJQZUXGBL-QWHCGFSZSA-N 1 0 261.325 1.356 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCc1ncccn1)C2 ZINC001254577013 947536188 /nfs/dbraw/zinc/53/61/88/947536188.db2.gz BHNXTEPYPCGMTG-ZDUSSCGKSA-N 1 0 284.319 1.684 20 5 CDBDRO COCCOCCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580066 947537415 /nfs/dbraw/zinc/53/74/15/947537415.db2.gz AQMIZKIMGJXPKW-CQSZACIVSA-N 1 0 294.351 1.705 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCc1ccncn1)C2 ZINC001254588310 947543734 /nfs/dbraw/zinc/54/37/34/947543734.db2.gz DERFTZRIHTUWSM-CQSZACIVSA-N 1 0 284.319 1.684 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@@H]1C[NH2+]CC13CC3)C2 ZINC001246127891 947974946 /nfs/dbraw/zinc/97/49/46/947974946.db2.gz CKLMLFHWAGFFLB-TZMCWYRMSA-N 1 0 273.336 1.404 20 5 CDBDRO CCOC(=O)[C@H](N)C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001246417928 948165635 /nfs/dbraw/zinc/16/56/35/948165635.db2.gz QRLZSVLCKHRHGB-GXFFZTMASA-N 1 0 295.339 1.006 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CC[C@@H]1F ZINC001246475937 948194988 /nfs/dbraw/zinc/19/49/88/948194988.db2.gz GZCPRFPFHGTNED-WCFLWFBJSA-N 1 0 281.331 1.815 20 5 CDBDRO C[NH2+]C1CN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001246525319 948226381 /nfs/dbraw/zinc/22/63/81/948226381.db2.gz WDRFCXZCHPPOBR-CQSZACIVSA-N 1 0 275.352 1.746 20 5 CDBDRO COc1ccc(C[C@H](C)N2C[C@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC001246918394 948519406 /nfs/dbraw/zinc/51/94/06/948519406.db2.gz KMGUHNXPTZHJMY-NVBFEUDRSA-N 1 0 291.351 1.438 20 5 CDBDRO C[NH2+][C@H](C)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247490144 948646017 /nfs/dbraw/zinc/64/60/17/948646017.db2.gz BVYDWDFSGUQGNB-RXMQYKEDSA-N 1 0 267.220 1.459 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC001329703707 956074669 /nfs/dbraw/zinc/07/46/69/956074669.db2.gz QALGRQZKMCPQQJ-SKZLGDCLSA-N 1 0 275.308 1.380 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001331701091 957214844 /nfs/dbraw/zinc/21/48/44/957214844.db2.gz GHRODSAUQOICCH-YPMHNXCESA-N 1 0 277.324 1.991 20 5 CDBDRO COC(=O)COc1ccc([C@@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC001334078023 958818705 /nfs/dbraw/zinc/81/87/05/958818705.db2.gz WZQSRMCYFQXIRN-SNVBAGLBSA-N 1 0 282.296 1.166 20 5 CDBDRO CC(C)[C@@](C)(O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335421778 959791981 /nfs/dbraw/zinc/79/19/81/959791981.db2.gz MDSRTRRXUIQYHG-KGLIPLIRSA-N 1 0 282.340 1.625 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001337811024 961440250 /nfs/dbraw/zinc/44/02/50/961440250.db2.gz VULNDSNIQHLXMN-NEPJUHHUSA-N 1 0 276.340 1.759 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001342520314 963757495 /nfs/dbraw/zinc/75/74/95/963757495.db2.gz YSQSTHJKYOHTJW-UWVGGRQHSA-N 1 0 265.313 1.628 20 5 CDBDRO CCC[C@@](C)([NH3+])C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001345781165 964813874 /nfs/dbraw/zinc/81/38/74/964813874.db2.gz OZDVJOFPROEODB-CQSZACIVSA-N 1 0 277.324 1.955 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CN3CCC2CC3)c1 ZINC001346179248 964972589 /nfs/dbraw/zinc/97/25/89/964972589.db2.gz INVMNFICFHBMPV-CABCVRRESA-N 1 0 291.351 1.312 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNc1cc(N)c([N+](=O)[O-])cn1 ZINC001347855757 965729104 /nfs/dbraw/zinc/72/91/04/965729104.db2.gz LQPSUJKTWQEOPS-VIFPVBQESA-N 1 0 265.317 1.468 20 5 CDBDRO Cc1ccc([C@H](CN2CCOCC2)[NH2+]CC[N+](=O)[O-])cc1 ZINC001351163785 966874654 /nfs/dbraw/zinc/87/46/54/966874654.db2.gz GSDBKGAPQGFCEP-HNNXBMFYSA-N 1 0 293.367 1.235 20 5 CDBDRO Cc1nn(C[N@@H+]2CC[C@@H](CF)C2)c2ncc([N+](=O)[O-])cc12 ZINC001353200201 967771515 /nfs/dbraw/zinc/77/15/15/967771515.db2.gz ZQDUEEDAIJQAAH-JTQLQIEISA-N 1 0 293.302 1.897 20 5 CDBDRO C[C@@H](NC(=O)N[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001353439109 967982566 /nfs/dbraw/zinc/98/25/66/967982566.db2.gz YBLFHDJBVLFIKN-KOLCDFICSA-N 1 0 278.312 1.317 20 5 CDBDRO O=C(NC[C@@H]1CCCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1F ZINC001355518734 969187018 /nfs/dbraw/zinc/18/70/18/969187018.db2.gz FLEULCFAAAXJKZ-JTQLQIEISA-N 1 0 295.314 1.996 20 5 CDBDRO Cc1cc(NC(=O)[C@H]([NH3+])CC2CC2)cc([N+](=O)[O-])c1 ZINC001356537965 969420327 /nfs/dbraw/zinc/42/03/27/969420327.db2.gz PBTRLABEPRUTMF-GFCCVEGCSA-N 1 0 263.297 1.969 20 5 CDBDRO CN(C)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001356544513 969422932 /nfs/dbraw/zinc/42/29/32/969422932.db2.gz GNASRUFAQGQIRD-UHFFFAOYSA-N 1 0 280.328 1.075 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000876915849 970037828 /nfs/dbraw/zinc/03/78/28/970037828.db2.gz YZXONHZDSDHLGM-MWLCHTKSSA-N 1 0 277.324 1.631 20 5 CDBDRO CCc1nn(C)c(NC[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000091562095 1174299229 /nfs/dbraw/zinc/29/92/29/1174299229.db2.gz LTOFQHPYDMKPNT-JTQLQIEISA-N 1 0 281.360 1.787 20 5 CDBDRO CCOc1cc(NC(=O)C[NH2+]C)c([N+](=O)[O-])cc1OCC ZINC001573801136 1170780261 /nfs/dbraw/zinc/78/02/61/1170780261.db2.gz NNBHWOWKXJTSTI-UHFFFAOYSA-N 1 0 297.311 1.550 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)CC[NH2+]1 ZINC001576622644 1171470356 /nfs/dbraw/zinc/47/03/56/1171470356.db2.gz FZDLVCGVRCYJJK-IUCAKERBSA-N 1 0 278.312 1.047 20 5 CDBDRO CC[C@](C)(C[NH3+])C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001576949655 1171571689 /nfs/dbraw/zinc/57/16/89/1171571689.db2.gz ZBBZXNQFQPFAQJ-CQSZACIVSA-N 1 0 294.355 1.498 20 5 CDBDRO CN(C[C@@H]1CC[NH2+]1)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001578457876 1171921089 /nfs/dbraw/zinc/92/10/89/1171921089.db2.gz ZZVMYVPYFXTSIG-QMMMGPOBSA-N 1 0 298.730 1.264 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001578638314 1171968836 /nfs/dbraw/zinc/96/88/36/1171968836.db2.gz KJEKMQUVFVZNOJ-LURJTMIESA-N 1 0 286.719 1.168 20 5 CDBDRO COc1ccc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1[N+](=O)[O-] ZINC000590005480 342518912 /nfs/dbraw/zinc/51/89/12/342518912.db2.gz ZNVGMMJGVNGAIV-GDNZZTSVSA-N 1 0 278.308 1.274 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000320606889 342534394 /nfs/dbraw/zinc/53/43/94/342534394.db2.gz XUNWLAYFAFQPIP-RKDXNWHRSA-N 1 0 251.286 1.450 20 5 CDBDRO CC(C)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1(CO)CCC1 ZINC000339726842 361741846 /nfs/dbraw/zinc/74/18/46/361741846.db2.gz CFXXFZNXLLROSZ-CYBMUJFWSA-N 1 0 296.371 1.568 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000131174158 342068581 /nfs/dbraw/zinc/06/85/81/342068581.db2.gz FYUYEKPBIVOSQV-UHFFFAOYSA-N 1 0 269.276 1.463 20 5 CDBDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cnc([N+](=O)[O-])c1 ZINC000608860438 342079363 /nfs/dbraw/zinc/07/93/63/342079363.db2.gz LOQZKAAUKHKAQM-CYBMUJFWSA-N 1 0 290.323 1.284 20 5 CDBDRO C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591136617 342619417 /nfs/dbraw/zinc/61/94/17/342619417.db2.gz PLHPUYXSRXLRMP-UHFFFAOYSA-N 1 0 254.265 1.271 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nc1 ZINC000591444749 342632618 /nfs/dbraw/zinc/63/26/18/342632618.db2.gz MONKTKBAYZFIJQ-RYUDHWBXSA-N 1 0 276.340 1.816 20 5 CDBDRO C[C@H]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@@H]1C[NH3+] ZINC000591446298 342632699 /nfs/dbraw/zinc/63/26/99/342632699.db2.gz HUPQLTREEMXXKB-QWRGUYRKSA-N 1 0 290.367 1.984 20 5 CDBDRO Cc1ccnc(N2CC[C@H]3CC[NH2+][C@H]3C2)c1[N+](=O)[O-] ZINC000591438159 342632026 /nfs/dbraw/zinc/63/20/26/342632026.db2.gz MBMHBPNREWRVTI-MNOVXSKESA-N 1 0 262.313 1.486 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@@H]4CC[NH2+][C@@H]4C3)nc2c1 ZINC000591438116 342632055 /nfs/dbraw/zinc/63/20/55/342632055.db2.gz LAMHZXWTJLMSNW-TVQRCGJNSA-N 1 0 287.323 1.659 20 5 CDBDRO COc1ccc(C[NH2+][C@H](C)CCO)cc1[N+](=O)[O-] ZINC000096811733 185115279 /nfs/dbraw/zinc/11/52/79/185115279.db2.gz YCJBBAVMCJNLNX-SECBINFHSA-N 1 0 254.286 1.464 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000591673492 342641480 /nfs/dbraw/zinc/64/14/80/342641480.db2.gz ZGDBVXAIKYDTDK-LLVKDONJSA-N 1 0 263.297 1.840 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000592243973 342681092 /nfs/dbraw/zinc/68/10/92/342681092.db2.gz PPSUEZZKCXCNIV-AAEUAGOBSA-N 1 0 289.335 1.727 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000592286595 342683647 /nfs/dbraw/zinc/68/36/47/342683647.db2.gz VTVREKNMNPRAEB-SECBINFHSA-N 1 0 286.291 1.316 20 5 CDBDRO CC1([NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000592331170 342685243 /nfs/dbraw/zinc/68/52/43/342685243.db2.gz MIWMCKXRRQRDSM-UHFFFAOYSA-N 1 0 281.287 1.687 20 5 CDBDRO CC(=O)NCC[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000592151882 342669149 /nfs/dbraw/zinc/66/91/49/342669149.db2.gz BZGBCGFNOGHAMB-UHFFFAOYSA-N 1 0 295.339 1.432 20 5 CDBDRO CCCN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CC[N@H+](C)C1 ZINC000592459968 342694227 /nfs/dbraw/zinc/69/42/27/342694227.db2.gz ROZSKNKMXLNIGY-NSHDSACASA-N 1 0 294.355 1.490 20 5 CDBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000592427565 342694533 /nfs/dbraw/zinc/69/45/33/342694533.db2.gz CFFWWVXDMVVQOG-DIECRNLCSA-N 1 0 261.325 1.902 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000340609662 361883245 /nfs/dbraw/zinc/88/32/45/361883245.db2.gz QKHPVCZXMSGPSH-UWVGGRQHSA-N 1 0 278.312 1.280 20 5 CDBDRO C[C@H](O)CC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000075782611 342190563 /nfs/dbraw/zinc/19/05/63/342190563.db2.gz LWGCJEDMXGNXMV-NSHDSACASA-N 1 0 268.313 1.676 20 5 CDBDRO C[C@@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000593721324 342828860 /nfs/dbraw/zinc/82/88/60/342828860.db2.gz PSVGXAUDOXXKDQ-JTQLQIEISA-N 1 0 297.330 1.590 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000141941796 361959317 /nfs/dbraw/zinc/95/93/17/361959317.db2.gz UYZIZZGJOKTVDA-CQSZACIVSA-N 1 0 289.335 1.905 20 5 CDBDRO CCC[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000323180857 342840757 /nfs/dbraw/zinc/84/07/57/342840757.db2.gz PIVAKUKVQCLXBE-MJBXVCDLSA-N 1 0 280.324 1.785 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](OC3CCC3)C2)n1 ZINC000594026746 342867803 /nfs/dbraw/zinc/86/78/03/342867803.db2.gz ODPOKXGJARAFQB-ZDUSSCGKSA-N 1 0 294.355 1.825 20 5 CDBDRO C[C@H](O)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594064191 342870005 /nfs/dbraw/zinc/87/00/05/342870005.db2.gz LGALRECWJMPDMK-NSHDSACASA-N 1 0 264.325 1.983 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1COCCN1 ZINC000600678734 342244119 /nfs/dbraw/zinc/24/41/19/342244119.db2.gz TZSZLEVECXFBAE-HSBHDXMMSA-N 1 0 277.324 1.186 20 5 CDBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])[nH]1 ZINC000594422363 342903811 /nfs/dbraw/zinc/90/38/11/342903811.db2.gz YQOTWQDHJSIDFS-PWSUYJOCSA-N 1 0 292.339 1.670 20 5 CDBDRO O=[N+]([O-])c1ccccc1CC[NH2+]CC1(O)CCC1 ZINC000127450228 342268480 /nfs/dbraw/zinc/26/84/80/342268480.db2.gz FHOBJLJGEJIWNB-UHFFFAOYSA-N 1 0 250.298 1.642 20 5 CDBDRO CC[C@](C)([NH3+])c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594651339 342933037 /nfs/dbraw/zinc/93/30/37/342933037.db2.gz BYDDNGORTYTNGQ-LBPRGKRZSA-N 1 0 277.284 1.465 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@H]21 ZINC000125900073 187204219 /nfs/dbraw/zinc/20/42/19/187204219.db2.gz CMTUPUIQLNGWJM-OPRDCNLKSA-N 1 0 278.312 1.122 20 5 CDBDRO CC[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074724576 342303478 /nfs/dbraw/zinc/30/34/78/342303478.db2.gz OCYCXFXSUYRMSN-UHFFFAOYSA-N 1 0 250.302 1.440 20 5 CDBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000108303859 349734390 /nfs/dbraw/zinc/73/43/90/349734390.db2.gz OEQXNOXSCOOKAB-SNVBAGLBSA-N 1 0 279.296 1.402 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000595274149 343021351 /nfs/dbraw/zinc/02/13/51/343021351.db2.gz PZLFNECOMGXNLY-VIFPVBQESA-N 1 0 280.328 1.310 20 5 CDBDRO Cc1noc(CN2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000595296500 343026659 /nfs/dbraw/zinc/02/66/59/343026659.db2.gz KGEGGMZIJLRKKY-UHFFFAOYSA-N 1 0 282.344 1.665 20 5 CDBDRO COC(=O)[C@]1(C)CCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595347859 343044624 /nfs/dbraw/zinc/04/46/24/343044624.db2.gz NXKWXKRKKTZWKN-GFCCVEGCSA-N 1 0 283.284 1.276 20 5 CDBDRO CC(C)CC1([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000595830991 343168568 /nfs/dbraw/zinc/16/85/68/343168568.db2.gz JFWZCSIVNBAXLA-UHFFFAOYSA-N 1 0 279.340 1.925 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000595961022 343196788 /nfs/dbraw/zinc/19/67/88/343196788.db2.gz HRHMGHFBEIGWTF-UHFFFAOYSA-N 1 0 269.276 1.543 20 5 CDBDRO O=C(N[C@H]1CC[NH2+]C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000126542038 187246468 /nfs/dbraw/zinc/24/64/68/187246468.db2.gz AWVGHDDRHODOTK-NSHDSACASA-N 1 0 290.323 1.261 20 5 CDBDRO CCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596055492 343222172 /nfs/dbraw/zinc/22/21/72/343222172.db2.gz UOGUWJBXOIBUEU-UHFFFAOYSA-N 1 0 292.339 1.226 20 5 CDBDRO CNc1ccc(C(=O)NCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000595940568 343203687 /nfs/dbraw/zinc/20/36/87/343203687.db2.gz HAWZRYXBCNOVPU-UHFFFAOYSA-N 1 0 292.339 1.638 20 5 CDBDRO CC[N@@H+]1CCCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596119149 343232781 /nfs/dbraw/zinc/23/27/81/343232781.db2.gz KGSAOIQXVOWZMX-UHFFFAOYSA-N 1 0 266.301 1.227 20 5 CDBDRO C[C@@H](CC[NH+](C)C)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596099746 343235964 /nfs/dbraw/zinc/23/59/64/343235964.db2.gz WIPLDSQFEWTGSS-QMMMGPOBSA-N 1 0 254.290 1.448 20 5 CDBDRO C[NH+](C)CC1CN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000596245991 343286234 /nfs/dbraw/zinc/28/62/34/343286234.db2.gz APHUJJSZOQUAHR-UHFFFAOYSA-N 1 0 281.341 1.302 20 5 CDBDRO C[N@H+]1Cc2ccccc2[C@H](Nc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596176117 343260663 /nfs/dbraw/zinc/26/06/63/343260663.db2.gz XMCGXQCOEQPHDB-CYBMUJFWSA-N 1 0 299.334 1.593 20 5 CDBDRO CC[N@@H+]1CCCN(c2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000596270275 343281640 /nfs/dbraw/zinc/28/16/40/343281640.db2.gz YEORKBLCKABMJF-JTQLQIEISA-N 1 0 267.333 1.249 20 5 CDBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[NH+](C)C ZINC000596428812 343312290 /nfs/dbraw/zinc/31/22/90/343312290.db2.gz IFNYQBJMVBUTDB-VIFPVBQESA-N 1 0 280.328 1.446 20 5 CDBDRO CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596518865 343340750 /nfs/dbraw/zinc/34/07/50/343340750.db2.gz XXKJJNAJPUPPHO-NSHDSACASA-N 1 0 292.339 1.590 20 5 CDBDRO CC[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000150862070 136393294 /nfs/dbraw/zinc/39/32/94/136393294.db2.gz HUOPQHGEJFQHDE-LBPRGKRZSA-N 1 0 294.355 1.191 20 5 CDBDRO Cn1c(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597925762 343663653 /nfs/dbraw/zinc/66/36/53/343663653.db2.gz QYXFRMJEYRLDSJ-JTQLQIEISA-N 1 0 294.355 1.536 20 5 CDBDRO C[C@@H](CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[NH+](C)C ZINC000597992932 343682561 /nfs/dbraw/zinc/68/25/61/343682561.db2.gz PLGHHGQKBVUZAW-JTQLQIEISA-N 1 0 297.330 1.733 20 5 CDBDRO COc1cccc(C(=O)NCC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000597992467 343682731 /nfs/dbraw/zinc/68/27/31/343682731.db2.gz MAVVHPLIWZQLNL-JTQLQIEISA-N 1 0 295.339 1.673 20 5 CDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C2 ZINC000598667814 343858549 /nfs/dbraw/zinc/85/85/49/343858549.db2.gz LMBSAQGGHZZPOU-HZMBPMFUSA-N 1 0 293.298 1.687 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598684709 343864983 /nfs/dbraw/zinc/86/49/83/343864983.db2.gz XTDDDKVLCGETCO-WFASDCNBSA-N 1 0 291.351 1.917 20 5 CDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 ZINC000598668061 343871215 /nfs/dbraw/zinc/87/12/15/343871215.db2.gz OVIYKTMVPGJONB-PRHODGIISA-N 1 0 265.269 1.141 20 5 CDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000598668228 343871244 /nfs/dbraw/zinc/87/12/44/343871244.db2.gz QSYBIHSRXRIILN-WFASDCNBSA-N 1 0 289.335 1.477 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000598916471 343920496 /nfs/dbraw/zinc/92/04/96/343920496.db2.gz ZJTHQUJEVOYDRW-DTORHVGOSA-N 1 0 294.286 1.417 20 5 CDBDRO C[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599085238 343951080 /nfs/dbraw/zinc/95/10/80/343951080.db2.gz NJSRDGBWUWFUDJ-SMDDNHRTSA-N 1 0 279.340 1.312 20 5 CDBDRO CC[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000599078788 343955969 /nfs/dbraw/zinc/95/59/69/343955969.db2.gz BCOWGDGAVSQULJ-BFHYXJOUSA-N 1 0 280.324 1.785 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000128541121 344323964 /nfs/dbraw/zinc/32/39/64/344323964.db2.gz YNCPSOCWSBUYPC-SMDDNHRTSA-N 1 0 279.340 1.185 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1c(F)cccc1[N+](=O)[O-] ZINC000602423804 344420833 /nfs/dbraw/zinc/42/08/33/344420833.db2.gz HLTDFOYIDQIXQJ-QMMMGPOBSA-N 1 0 267.260 1.216 20 5 CDBDRO Cc1c(CC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000602593307 344481524 /nfs/dbraw/zinc/48/15/24/344481524.db2.gz ZHIOCCKVMXCTEZ-BETUJISGSA-N 1 0 289.335 1.409 20 5 CDBDRO CC[N@@H+]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602802051 344591163 /nfs/dbraw/zinc/59/11/63/344591163.db2.gz SKSHIFHFMRVKLV-LLVKDONJSA-N 1 0 281.360 1.126 20 5 CDBDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000161301290 362446234 /nfs/dbraw/zinc/44/62/34/362446234.db2.gz SJNMUZHZAWYHFO-LDYMZIIASA-N 1 0 251.286 1.907 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN(C)CC[NH+]1CCCC1 ZINC000602789254 344601108 /nfs/dbraw/zinc/60/11/08/344601108.db2.gz YTOBEDYERIMQFH-UHFFFAOYSA-N 1 0 281.360 1.127 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C(C)(C)CN(C)C ZINC000602843590 344622684 /nfs/dbraw/zinc/62/26/84/344622684.db2.gz VNUGTSKYMMTWRI-UHFFFAOYSA-N 1 0 269.349 1.030 20 5 CDBDRO C[NH2+][C@H](C)c1cn(Cc2ccc([N+](=O)[O-])cc2OC)nn1 ZINC000603244820 344750356 /nfs/dbraw/zinc/75/03/56/344750356.db2.gz VMTRPVFPPWALCE-SECBINFHSA-N 1 0 291.311 1.524 20 5 CDBDRO CSc1ccc(C(=O)N[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000127247212 187292263 /nfs/dbraw/zinc/29/22/63/187292263.db2.gz VJIDBFORKAZVRD-SECBINFHSA-N 1 0 281.337 1.408 20 5 CDBDRO O=[N+]([O-])c1cc(F)c(NC[C@H]2CSCC[NH2+]2)c(F)c1 ZINC000603419385 344807692 /nfs/dbraw/zinc/80/76/92/344807692.db2.gz NEWSSQJEUXZMRZ-ZETCQYMHSA-N 1 0 289.307 1.990 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1NC[C@H]1CSCC[NH2+]1 ZINC000603418567 344807695 /nfs/dbraw/zinc/80/76/95/344807695.db2.gz GGKIDYRWVVTXOT-QMMMGPOBSA-N 1 0 271.317 1.851 20 5 CDBDRO C[C@]1(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000230733567 345441063 /nfs/dbraw/zinc/44/10/63/345441063.db2.gz MCROSXNADYNHIU-ZDUSSCGKSA-N 1 0 263.297 1.006 20 5 CDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000609833560 346004677 /nfs/dbraw/zinc/00/46/77/346004677.db2.gz NBVPDPPUSPNUSY-SNVBAGLBSA-N 1 0 281.312 1.792 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000128319776 187363703 /nfs/dbraw/zinc/36/37/03/187363703.db2.gz UMAHIDFDVVIVTG-CHWSQXEVSA-N 1 0 293.323 1.360 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(CO)COC1 ZINC000539053798 282445330 /nfs/dbraw/zinc/44/53/30/282445330.db2.gz HBBKIAWWJIPKNC-NSHDSACASA-N 1 0 280.324 1.563 20 5 CDBDRO CN(CCCC[NH+](C)C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000610111744 346193539 /nfs/dbraw/zinc/19/35/39/346193539.db2.gz BGOSBDXVOTXFDQ-UHFFFAOYSA-N 1 0 293.367 1.938 20 5 CDBDRO NC(=O)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000610581632 346318786 /nfs/dbraw/zinc/31/87/86/346318786.db2.gz DYSLOXRBPKKQPX-MRVPVSSYSA-N 1 0 290.279 1.043 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC1(O)CCC1)CC2 ZINC000610710458 346365675 /nfs/dbraw/zinc/36/56/75/346365675.db2.gz PZOQUNORTMZYQU-UHFFFAOYSA-N 1 0 262.309 1.868 20 5 CDBDRO CC(C)C(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000229550159 346553485 /nfs/dbraw/zinc/55/34/85/346553485.db2.gz FOSLJRLLXCDAEQ-ZDUSSCGKSA-N 1 0 298.387 1.670 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)CC2CC2)cc1 ZINC000611108185 346609764 /nfs/dbraw/zinc/60/97/64/346609764.db2.gz BISXCPNGYMJEAL-GFCCVEGCSA-N 1 0 250.298 1.845 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)CC2CC2)cs1 ZINC000611108213 346610423 /nfs/dbraw/zinc/61/04/23/346610423.db2.gz HQXJPVRIHYGJNK-JTQLQIEISA-N 1 0 256.327 1.907 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(CO)CCCCC1 ZINC000611463115 346793155 /nfs/dbraw/zinc/79/31/55/346793155.db2.gz XIBCDRMABCANNE-UHFFFAOYSA-N 1 0 295.339 1.041 20 5 CDBDRO COc1cc(C(=O)NC(C)(C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000293642657 362797704 /nfs/dbraw/zinc/79/77/04/362797704.db2.gz JYFZYLRXFOMKNG-UHFFFAOYSA-N 1 0 295.339 1.851 20 5 CDBDRO CC[C@]1(C(=O)NCc2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000122067254 347419452 /nfs/dbraw/zinc/41/94/52/347419452.db2.gz WCAQTUMIXJQRHV-CQSZACIVSA-N 1 0 277.324 1.743 20 5 CDBDRO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[C@H]1[NH3+] ZINC000122570135 347659150 /nfs/dbraw/zinc/65/91/50/347659150.db2.gz WPMAAMUETZIQJS-DTWKUNHWSA-N 1 0 266.301 1.122 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)c1cccnc1[N+](=O)[O-] ZINC000613701010 347878538 /nfs/dbraw/zinc/87/85/38/347878538.db2.gz SADWXDUOLKHYLR-UHFFFAOYSA-N 1 0 250.302 1.520 20 5 CDBDRO C[C@H]([NH2+]CCSCCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293657334 362852645 /nfs/dbraw/zinc/85/26/45/362852645.db2.gz IXDRETNOGWHYIE-JTQLQIEISA-N 1 0 299.396 1.943 20 5 CDBDRO C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCC[NH2+]C1 ZINC000128929206 187399951 /nfs/dbraw/zinc/39/99/51/187399951.db2.gz MSZILAUFOAXEHH-LBPRGKRZSA-N 1 0 283.353 1.776 20 5 CDBDRO C[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000266096691 362939422 /nfs/dbraw/zinc/93/94/22/362939422.db2.gz QSCJPLOGGDLUMJ-JTQLQIEISA-N 1 0 265.313 1.204 20 5 CDBDRO CCc1nn(C)c(NC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000091559437 180191463 /nfs/dbraw/zinc/19/14/63/180191463.db2.gz DWKVHAJRMALXBS-UHFFFAOYSA-N 1 0 267.333 1.397 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000295156988 199376963 /nfs/dbraw/zinc/37/69/63/199376963.db2.gz DHCJLZATXLUTGU-VIFPVBQESA-N 1 0 283.353 1.784 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000109849490 186276623 /nfs/dbraw/zinc/27/66/23/186276623.db2.gz JYRBFEGZXXOTSB-NSHDSACASA-N 1 0 293.323 1.042 20 5 CDBDRO COc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000109849909 186277318 /nfs/dbraw/zinc/27/73/18/186277318.db2.gz NGCLNFKLGHOHEL-JTQLQIEISA-N 1 0 293.323 1.285 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000110652177 186311393 /nfs/dbraw/zinc/31/13/93/186311393.db2.gz ISVMOPYRQJTACY-VIFPVBQESA-N 1 0 281.287 1.415 20 5 CDBDRO CC[C@H](O)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000124728793 351368903 /nfs/dbraw/zinc/36/89/03/351368903.db2.gz KQBDTDPAAWFYAK-NSHDSACASA-N 1 0 254.286 1.334 20 5 CDBDRO CC(C)NC(=O)c1ccc(NCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000291381298 198005853 /nfs/dbraw/zinc/00/58/53/198005853.db2.gz RNYFGXMWGDPJCA-UHFFFAOYSA-N 1 0 294.355 1.707 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000156421071 351488535 /nfs/dbraw/zinc/48/85/35/351488535.db2.gz OQEOOVQYFDVHCB-ZYHUDNBSSA-N 1 0 293.323 1.091 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000156443486 351491514 /nfs/dbraw/zinc/49/15/14/351491514.db2.gz NTMNSKFGODJHMA-SKDRFNHKSA-N 1 0 294.311 1.175 20 5 CDBDRO C[C@@H](CCCC[NH3+])NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000292060997 198148570 /nfs/dbraw/zinc/14/85/70/198148570.db2.gz KCENQZUGXFKDRB-NSHDSACASA-N 1 0 279.340 1.771 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135238045 187810057 /nfs/dbraw/zinc/81/00/57/187810057.db2.gz PGYWPBDAIQVBAH-JTQLQIEISA-N 1 0 269.276 1.447 20 5 CDBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCOC1 ZINC000154180793 188128040 /nfs/dbraw/zinc/12/80/40/188128040.db2.gz RIBSHQDLEVWKMJ-WFASDCNBSA-N 1 0 294.351 1.987 20 5 CDBDRO COc1cc(C(=O)NC[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000156685886 188276183 /nfs/dbraw/zinc/27/61/83/188276183.db2.gz USOUGDFNBVCTQM-JTQLQIEISA-N 1 0 293.323 1.333 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(O)CCOCC2)cc1 ZINC000112717160 366125489 /nfs/dbraw/zinc/12/54/89/366125489.db2.gz MQYAKGMCKFADEQ-UHFFFAOYSA-N 1 0 266.297 1.226 20 5 CDBDRO C[C@H](C[S@](C)=O)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000164319348 188622475 /nfs/dbraw/zinc/62/24/75/188622475.db2.gz FRFHDXJYVLTQNT-VGDKGRGNSA-N 1 0 262.356 1.513 20 5 CDBDRO COC[C@@H]1C[C@H](O)C[N@@H+]1[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000411917511 363375158 /nfs/dbraw/zinc/37/51/58/363375158.db2.gz COHIILPNJXMMAF-WOPDTQHZSA-N 1 0 280.324 1.737 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000336788088 356261550 /nfs/dbraw/zinc/26/15/50/356261550.db2.gz GMZUXZBPTBMIDU-SSDOTTSWSA-N 1 0 271.704 1.715 20 5 CDBDRO CCC[C@@H]([NH3+])c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000229926542 356313737 /nfs/dbraw/zinc/31/37/37/356313737.db2.gz FTVIKZNZNGXWPT-LLVKDONJSA-N 1 0 261.285 1.975 20 5 CDBDRO C[C@H](Cn1ccnc1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000336849398 356385757 /nfs/dbraw/zinc/38/57/57/356385757.db2.gz RKPIDTDNDJWXJR-SECBINFHSA-N 1 0 292.270 1.749 20 5 CDBDRO COc1cccc(N[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000134929157 356655114 /nfs/dbraw/zinc/65/51/14/356655114.db2.gz KNKSFDUKTKCONU-SECBINFHSA-N 1 0 253.302 1.965 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000590762414 358511744 /nfs/dbraw/zinc/51/17/44/358511744.db2.gz ZYSFAUUUTULRMS-BXKDBHETSA-N 1 0 266.297 1.559 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H]1C ZINC000379469202 357122650 /nfs/dbraw/zinc/12/26/50/357122650.db2.gz NTHXUZSGUNWDLD-RKDXNWHRSA-N 1 0 281.287 1.556 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])c[nH]1 ZINC000407967075 357688568 /nfs/dbraw/zinc/68/85/68/357688568.db2.gz OSKTZXGMJLUVHD-JQWIXIFHSA-N 1 0 278.312 1.280 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](CCOC)C1 ZINC000360910557 357743180 /nfs/dbraw/zinc/74/31/80/357743180.db2.gz VGAMROWHHGDKBL-LLVKDONJSA-N 1 0 297.359 1.252 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000135236299 357809513 /nfs/dbraw/zinc/80/95/13/357809513.db2.gz HMSRLNJTHYPXEB-KCJUWKMLSA-N 1 0 281.287 1.543 20 5 CDBDRO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000190886197 358098127 /nfs/dbraw/zinc/09/81/27/358098127.db2.gz IYBVJMIAXZILTQ-OSMZGAPFSA-N 1 0 280.324 1.188 20 5 CDBDRO COc1cc(C[NH2+]C[C@H](C)OC)c([N+](=O)[O-])cc1OC ZINC000191147976 358116140 /nfs/dbraw/zinc/11/61/40/358116140.db2.gz GARWOMOVSCWTSL-VIFPVBQESA-N 1 0 284.312 1.737 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCCCO ZINC000193254309 358277958 /nfs/dbraw/zinc/27/79/58/358277958.db2.gz OPLLMKZBQZVHGU-FNORWQNLSA-N 1 0 250.298 1.970 20 5 CDBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])s1 ZINC000294776898 199177140 /nfs/dbraw/zinc/17/71/40/199177140.db2.gz GJUMOKDCUAEGPD-SECBINFHSA-N 1 0 283.353 1.918 20 5 CDBDRO C[C@H]([NH3+])CCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000193185549 358272445 /nfs/dbraw/zinc/27/24/45/358272445.db2.gz KULIDJVKHQSCED-VIFPVBQESA-N 1 0 263.297 1.611 20 5 CDBDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000193631738 358310501 /nfs/dbraw/zinc/31/05/01/358310501.db2.gz UNOXACGCEUHTSR-GXFFZTMASA-N 1 0 293.323 1.088 20 5 CDBDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000287298656 358379064 /nfs/dbraw/zinc/37/90/64/358379064.db2.gz IXDRSMRZEXWZME-SNVBAGLBSA-N 1 0 295.339 1.287 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000127352811 358356914 /nfs/dbraw/zinc/35/69/14/358356914.db2.gz PNOJPFVJSYNVAV-IUCAKERBSA-N 1 0 253.277 1.907 20 5 CDBDRO Cc1c(C[NH2+]C(C)(C)CC(N)=O)cccc1[N+](=O)[O-] ZINC000186235059 358792089 /nfs/dbraw/zinc/79/20/89/358792089.db2.gz RESFSFAYQCCFRD-UHFFFAOYSA-N 1 0 265.313 1.647 20 5 CDBDRO CC[N@H+](CCNC(=O)c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000134231241 358999864 /nfs/dbraw/zinc/99/98/64/358999864.db2.gz OIDILKJKBNULSS-UHFFFAOYSA-N 1 0 295.314 1.948 20 5 CDBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000357906759 359005056 /nfs/dbraw/zinc/00/50/56/359005056.db2.gz IXCRLDGXDQYQNI-QWRGUYRKSA-N 1 0 252.318 1.912 20 5 CDBDRO C[N@H+](CC[C@@H]1CCCO1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000342612639 359135633 /nfs/dbraw/zinc/13/56/33/359135633.db2.gz YHEYWLVVJUNIDE-ZDUSSCGKSA-N 1 0 295.339 1.257 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000570079358 359287432 /nfs/dbraw/zinc/28/74/32/359287432.db2.gz HJQDUJIZINCAIS-ZJUUUORDSA-N 1 0 280.328 1.181 20 5 CDBDRO Cc1nn(C)c(N[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000049502132 359314205 /nfs/dbraw/zinc/31/42/05/359314205.db2.gz ASVCGTITFHOXBE-SNVBAGLBSA-N 1 0 281.360 1.923 20 5 CDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000050162884 359352223 /nfs/dbraw/zinc/35/22/23/359352223.db2.gz KKTYRDXSGMNGGZ-JQWIXIFHSA-N 1 0 277.324 1.713 20 5 CDBDRO C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000050163065 359352516 /nfs/dbraw/zinc/35/25/16/359352516.db2.gz IBWSBQFANWUBIQ-ZJUUUORDSA-N 1 0 295.314 1.852 20 5 CDBDRO O=[N+]([O-])c1ccccc1N[C@@H](CO)C[NH+]1CCCCC1 ZINC000288888982 359412251 /nfs/dbraw/zinc/41/22/51/359412251.db2.gz HIOSKBLVHVTVID-GFCCVEGCSA-N 1 0 279.340 1.854 20 5 CDBDRO C[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000153872793 237027807 /nfs/dbraw/zinc/02/78/07/237027807.db2.gz GUINPVRCRSYOEV-QWRGUYRKSA-N 1 0 292.339 1.216 20 5 CDBDRO COc1ccc(C[N@H+](CCO)C2CCC2)cc1[N+](=O)[O-] ZINC000221196583 359508492 /nfs/dbraw/zinc/50/84/92/359508492.db2.gz XSFMALRENIDIPA-UHFFFAOYSA-N 1 0 280.324 1.950 20 5 CDBDRO C[N@@H+]1CCCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000297807225 200284801 /nfs/dbraw/zinc/28/48/01/200284801.db2.gz IGKTWIFSTPTQOH-UHFFFAOYSA-N 1 0 279.340 1.611 20 5 CDBDRO C[C@@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000235329363 360015810 /nfs/dbraw/zinc/01/58/10/360015810.db2.gz MSVOPFBMBNQBFM-DGCLKSJQSA-N 1 0 291.351 1.723 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235360534 360047695 /nfs/dbraw/zinc/04/76/95/360047695.db2.gz FIWUXKJEGWIOLV-PWSUYJOCSA-N 1 0 277.324 1.394 20 5 CDBDRO CC[NH2+]CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000138073545 360100235 /nfs/dbraw/zinc/10/02/35/360100235.db2.gz ZSQXGSSKAMOZMJ-UHFFFAOYSA-N 1 0 287.341 1.020 20 5 CDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000342758644 360061623 /nfs/dbraw/zinc/06/16/23/360061623.db2.gz YFTYCLCNOLPKSC-NSHDSACASA-N 1 0 292.339 1.123 20 5 CDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]CC1 ZINC000237999494 360323195 /nfs/dbraw/zinc/32/31/95/360323195.db2.gz FUYMTIRDVHYOEQ-UHFFFAOYSA-N 1 0 292.339 1.219 20 5 CDBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000385839491 360358457 /nfs/dbraw/zinc/35/84/57/360358457.db2.gz VNUSRCLBKBVCGK-PWSUYJOCSA-N 1 0 250.298 1.798 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](CC[NH3+])C2)n1 ZINC000162864062 360598890 /nfs/dbraw/zinc/59/88/90/360598890.db2.gz RILUDFKWUSRQMR-LLVKDONJSA-N 1 0 264.329 1.863 20 5 CDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178537812 189124985 /nfs/dbraw/zinc/12/49/85/189124985.db2.gz NDAOIFWDBXEFCE-JTQLQIEISA-N 1 0 292.339 1.082 20 5 CDBDRO CCc1nn(C)c(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000575155310 360970895 /nfs/dbraw/zinc/97/08/95/360970895.db2.gz ILSOLKSMEJJRCY-NXEZZACHSA-N 1 0 293.371 1.928 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+]CCN2CCNC2=O)cc1[N+](=O)[O-] ZINC000289758447 360954490 /nfs/dbraw/zinc/95/44/90/360954490.db2.gz HXZPNUZYEXXIGG-NSHDSACASA-N 1 0 292.339 1.579 20 5 CDBDRO Cc1cnc(N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000277878888 361173262 /nfs/dbraw/zinc/17/32/62/361173262.db2.gz VXKQJGUYIAHHII-NEPJUHHUSA-N 1 0 294.355 1.190 20 5 CDBDRO CCOCC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000036229523 361320019 /nfs/dbraw/zinc/32/00/19/361320019.db2.gz QAGDPLRNOJFGJJ-UHFFFAOYSA-N 1 0 254.286 1.730 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](CO)c2ccccc2)c1 ZINC000182895605 189338858 /nfs/dbraw/zinc/33/88/58/189338858.db2.gz WMRAINUDZRVNNN-CYBMUJFWSA-N 1 0 276.296 1.115 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000184954448 189399594 /nfs/dbraw/zinc/39/95/94/189399594.db2.gz CQBCNCJSFLCHQA-MRVWCRGKSA-N 1 0 289.335 1.333 20 5 CDBDRO CC(=O)N1CC([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000581498634 364001874 /nfs/dbraw/zinc/00/18/74/364001874.db2.gz FNLKIGVFOJTRSL-IZZDOVSWSA-N 1 0 289.335 1.818 20 5 CDBDRO C[C@@H]([N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000295241616 363954501 /nfs/dbraw/zinc/95/45/01/363954501.db2.gz YFKZRWOKYJSKJZ-SNVBAGLBSA-N 1 0 295.339 1.625 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1NC1C[NH2+]C1 ZINC000582295214 364082287 /nfs/dbraw/zinc/08/22/87/364082287.db2.gz GQBVBRAIBZYDBN-FZMZJTMJSA-N 1 0 275.352 1.867 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H](C)C[S@@](C)=O)cc1[N+](=O)[O-] ZINC000168212585 364118391 /nfs/dbraw/zinc/11/83/91/364118391.db2.gz LJKLIDKQMPGHNV-YPMLDQLKSA-N 1 0 270.354 1.760 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000189311557 189529743 /nfs/dbraw/zinc/52/97/43/189529743.db2.gz AGJPGIMCDNRNEJ-ZWNOBZJWSA-N 1 0 277.324 1.774 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([NH3+])CC2)c1 ZINC000088147653 364259153 /nfs/dbraw/zinc/25/91/53/364259153.db2.gz PXKQBVVLQCIDRW-UHFFFAOYSA-N 1 0 263.297 1.467 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOCC(F)F)cc1 ZINC000190895110 189577800 /nfs/dbraw/zinc/57/78/00/189577800.db2.gz BFGDBJGBBBWSND-UHFFFAOYSA-N 1 0 260.240 1.966 20 5 CDBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CC1 ZINC000101958758 364518996 /nfs/dbraw/zinc/51/89/96/364518996.db2.gz LCKVHTXYBRSSBQ-UHFFFAOYSA-N 1 0 293.323 1.515 20 5 CDBDRO CC(C)N(CC[NH+](C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000151989869 364803582 /nfs/dbraw/zinc/80/35/82/364803582.db2.gz FJIPTSPEUOKCFC-UHFFFAOYSA-N 1 0 293.367 1.936 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCC[C@@H]1O ZINC000305810560 364941905 /nfs/dbraw/zinc/94/19/05/364941905.db2.gz LZFRCEMZGKYSLR-AAEUAGOBSA-N 1 0 282.344 1.274 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000564187040 365403124 /nfs/dbraw/zinc/40/31/24/365403124.db2.gz BYJQXSGAUPICED-SNVBAGLBSA-N 1 0 266.301 1.131 20 5 CDBDRO CS[C@H]1CN(c2ncc(C)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270932028 366945784 /nfs/dbraw/zinc/94/57/84/366945784.db2.gz CSUVPCGSCKXIMC-RYUDHWBXSA-N 1 0 296.396 1.780 20 5 CDBDRO Cc1ccc(NC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414663387 241309083 /nfs/dbraw/zinc/30/90/83/241309083.db2.gz RYXIKIXRRCHIMG-UHFFFAOYSA-N 1 0 264.285 1.340 20 5 CDBDRO Cc1c(NC(=O)NC(C)(C)C[NH3+])cccc1[N+](=O)[O-] ZINC000414705070 241340489 /nfs/dbraw/zinc/34/04/89/241340489.db2.gz NIAGGTKFKJTHFE-UHFFFAOYSA-N 1 0 266.301 1.762 20 5 CDBDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000130531417 367284903 /nfs/dbraw/zinc/28/49/03/367284903.db2.gz BWBMETPKHQNZHR-PRHODGIISA-N 1 0 281.312 1.915 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000418566717 243219778 /nfs/dbraw/zinc/21/97/78/243219778.db2.gz WKMGICWSOOTJQF-JTQLQIEISA-N 1 0 294.355 1.866 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418607173 243271031 /nfs/dbraw/zinc/27/10/31/243271031.db2.gz BIQCSHMRBKSISB-JTQLQIEISA-N 1 0 292.339 1.616 20 5 CDBDRO C[C@]1(F)C[NH2+]CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000420323788 244085796 /nfs/dbraw/zinc/08/57/96/244085796.db2.gz BLYHXTOXEBLCCY-AWEZNQCLSA-N 1 0 297.330 1.607 20 5 CDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH2+][C@H](C)C1 ZINC000420333148 244100139 /nfs/dbraw/zinc/10/01/39/244100139.db2.gz HLXZYBIDKQNMQJ-MNOVXSKESA-N 1 0 292.339 1.216 20 5 CDBDRO Cc1c(NC(=O)[C@@H](C)N(C)CC[NH3+])cccc1[N+](=O)[O-] ZINC000420375274 244168699 /nfs/dbraw/zinc/16/86/99/244168699.db2.gz ISNFQHGIVHOBNP-SNVBAGLBSA-N 1 0 280.328 1.121 20 5 CDBDRO C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000420402891 244204723 /nfs/dbraw/zinc/20/47/23/244204723.db2.gz QXRLHPLIHORFTO-UWVGGRQHSA-N 1 0 267.304 1.916 20 5 CDBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000351823131 369304700 /nfs/dbraw/zinc/30/47/00/369304700.db2.gz CKMXVHGJPUMYCQ-ZWNOBZJWSA-N 1 0 293.323 1.236 20 5 CDBDRO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C1CCCC1 ZINC000330848266 203308938 /nfs/dbraw/zinc/30/89/38/203308938.db2.gz KWBQQXSTHPWWPT-VIFPVBQESA-N 1 0 252.318 1.997 20 5 CDBDRO Cc1cc(C(=O)N[C@@H](C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000295219322 369674825 /nfs/dbraw/zinc/67/48/25/369674825.db2.gz MNXYBURUVOIOHD-JTQLQIEISA-N 1 0 265.313 1.760 20 5 CDBDRO Cc1cc(C(=O)NCCCC[NH3+])ccc1[N+](=O)[O-] ZINC000037714530 369984854 /nfs/dbraw/zinc/98/48/54/369984854.db2.gz ASIJWCCLKCDVQF-UHFFFAOYSA-N 1 0 251.286 1.372 20 5 CDBDRO Cn1ncc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)n1 ZINC000293417214 370626061 /nfs/dbraw/zinc/62/60/61/370626061.db2.gz ZNULRDHPPIPOGP-UHFFFAOYSA-N 1 0 261.285 1.056 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422711526 245167952 /nfs/dbraw/zinc/16/79/52/245167952.db2.gz HBNKWFUSOSJVDK-GWCFXTLKSA-N 1 0 279.340 1.691 20 5 CDBDRO COCCn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000266216121 371105807 /nfs/dbraw/zinc/10/58/07/371105807.db2.gz PRZGHFPQVNHZSI-UHFFFAOYSA-N 1 0 290.323 1.728 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000356779202 373061850 /nfs/dbraw/zinc/06/18/50/373061850.db2.gz RKSTZLLHDUTCKT-VIFPVBQESA-N 1 0 296.327 1.154 20 5 CDBDRO Cc1cc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)ncc1[N+](=O)[O-] ZINC000520506542 373112750 /nfs/dbraw/zinc/11/27/50/373112750.db2.gz IJVIVAHGIIODCU-PWSUYJOCSA-N 1 0 262.313 1.439 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000277656043 193722016 /nfs/dbraw/zinc/72/20/16/193722016.db2.gz SXSDVYVCMUDJDZ-LDYMZIIASA-N 1 0 297.742 1.976 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[NH2+]C(C)(C)C ZINC000192559808 373620383 /nfs/dbraw/zinc/62/03/83/373620383.db2.gz ZRZZGQMPVFUIPO-UHFFFAOYSA-N 1 0 269.349 1.920 20 5 CDBDRO O=C(C[C@H]1CSCC[NH2+]1)Nc1cccc([N+](=O)[O-])c1 ZINC000091134262 373747280 /nfs/dbraw/zinc/74/72/80/373747280.db2.gz UBFLYAQTMAIGQN-JTQLQIEISA-N 1 0 281.337 1.628 20 5 CDBDRO Cc1cc(NC(=O)NC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000298708529 373805939 /nfs/dbraw/zinc/80/59/39/373805939.db2.gz JONCPSUICBXAGE-JTQLQIEISA-N 1 0 280.328 1.975 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000091672895 374098672 /nfs/dbraw/zinc/09/86/72/374098672.db2.gz PYASEPOENMUAGQ-KGLIPLIRSA-N 1 0 277.324 1.870 20 5 CDBDRO C[C@H](NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000418238675 374260008 /nfs/dbraw/zinc/26/00/08/374260008.db2.gz XVXWNJJCLFNTNB-KWBADKCTSA-N 1 0 292.339 1.787 20 5 CDBDRO C[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000114007276 374293822 /nfs/dbraw/zinc/29/38/22/374293822.db2.gz XDVHGVWVYDFNKP-NSHDSACASA-N 1 0 265.313 1.098 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCCC1 ZINC000299035957 374323362 /nfs/dbraw/zinc/32/33/62/374323362.db2.gz QBTAFEHAROKKCO-UHFFFAOYSA-N 1 0 280.328 1.527 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCCNC2)n1 ZINC000423189165 374372182 /nfs/dbraw/zinc/37/21/82/374372182.db2.gz MRLYJRRUBZJRKM-RWMBFGLXSA-N 1 0 293.371 1.617 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000423539819 374390862 /nfs/dbraw/zinc/39/08/62/374390862.db2.gz CCMPOUFPXGFKQS-NOZJJQNGSA-N 1 0 291.351 1.939 20 5 CDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000376245505 374549041 /nfs/dbraw/zinc/54/90/41/374549041.db2.gz RWEWZGPSEAETJB-SWLSCSKDSA-N 1 0 289.335 1.253 20 5 CDBDRO Cc1c(C[NH2+][C@H](CO)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000447920941 374722115 /nfs/dbraw/zinc/72/21/15/374722115.db2.gz YQEQATHKKNNJQC-OCCSQVGLSA-N 1 0 280.324 1.533 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000277599335 374797471 /nfs/dbraw/zinc/79/74/71/374797471.db2.gz PTGOWWRITPRKPG-YRDGOHCCSA-N 1 0 289.335 1.722 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000124552038 374819956 /nfs/dbraw/zinc/81/99/56/374819956.db2.gz VKCPFTADFLXYEM-UHFFFAOYSA-N 1 0 265.313 1.585 20 5 CDBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(N)c1F)[NH+](C)C ZINC000277214722 374778340 /nfs/dbraw/zinc/77/83/40/374778340.db2.gz ZNHDQOYIZDNKNK-SSDOTTSWSA-N 1 0 256.281 1.678 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000331017761 374879118 /nfs/dbraw/zinc/87/91/18/374879118.db2.gz MMUYLKVKYJDUCV-SNVBAGLBSA-N 1 0 280.328 1.479 20 5 CDBDRO C[C@]1(C(N)=O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000280421238 374996853 /nfs/dbraw/zinc/99/68/53/374996853.db2.gz ZEYAEPPMFGPVAS-ZDUSSCGKSA-N 1 0 281.287 1.431 20 5 CDBDRO COC(=O)CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282485121 375088500 /nfs/dbraw/zinc/08/85/00/375088500.db2.gz PFTWYIMCBDNWSA-UHFFFAOYSA-N 1 0 266.297 1.632 20 5 CDBDRO COc1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000162361934 375334745 /nfs/dbraw/zinc/33/47/45/375334745.db2.gz VDYCPSRVGBSSCU-QWRGUYRKSA-N 1 0 293.323 1.603 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493485662 375458156 /nfs/dbraw/zinc/45/81/56/375458156.db2.gz KQOWZNYPNWOCBB-ALCCZGGFSA-N 1 0 295.314 1.815 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000129430812 375464931 /nfs/dbraw/zinc/46/49/31/375464931.db2.gz YMHTXRVWNVPTFN-MRVPVSSYSA-N 1 0 285.731 1.834 20 5 CDBDRO CCOCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293896205 375410436 /nfs/dbraw/zinc/41/04/36/375410436.db2.gz WFBKBHKPMZFQNV-VIFPVBQESA-N 1 0 253.302 1.864 20 5 CDBDRO Cc1nn(C)c(NC[C@H](C)[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000227009945 375415301 /nfs/dbraw/zinc/41/53/01/375415301.db2.gz IYPYDEUPYWZYSA-QMMMGPOBSA-N 1 0 267.333 1.531 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000132257333 375427237 /nfs/dbraw/zinc/42/72/37/375427237.db2.gz QZOUHBRQAWFMQM-QWRGUYRKSA-N 1 0 277.324 1.713 20 5 CDBDRO C[C@H](O)[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000162818750 375523187 /nfs/dbraw/zinc/52/31/87/375523187.db2.gz WDFTUWXHPPYSTH-WCQYABFASA-N 1 0 264.325 1.840 20 5 CDBDRO CCC[C@@](C)([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000353252997 375591102 /nfs/dbraw/zinc/59/11/02/375591102.db2.gz OZKOUJJZNDDBGS-OAHLLOKOSA-N 1 0 291.351 1.997 20 5 CDBDRO CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC(O)C1 ZINC000353485682 375615686 /nfs/dbraw/zinc/61/56/86/375615686.db2.gz UYJZLERLUGZZKM-UHFFFAOYSA-N 1 0 277.280 1.691 20 5 CDBDRO CCC[C@](C)([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000353442475 375609654 /nfs/dbraw/zinc/60/96/54/375609654.db2.gz RQBRLQQWFAIMBX-AWEZNQCLSA-N 1 0 295.339 1.737 20 5 CDBDRO Cc1c(NC(=O)[C@@H](C)[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000134029744 375827884 /nfs/dbraw/zinc/82/78/84/375827884.db2.gz FXJGZHWJGRQLGG-CBAPKCEASA-N 1 0 251.286 1.825 20 5 CDBDRO C[C@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000358258332 375959351 /nfs/dbraw/zinc/95/93/51/375959351.db2.gz SXUXUVWNEVBUHP-SMDDNHRTSA-N 1 0 279.340 1.312 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261607432 190041621 /nfs/dbraw/zinc/04/16/21/190041621.db2.gz DGXGRDFPULNRDK-STQMWFEESA-N 1 0 289.335 1.348 20 5 CDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261723062 190043486 /nfs/dbraw/zinc/04/34/86/190043486.db2.gz QGSDJGUMFBORCX-JOYOIKCWSA-N 1 0 293.298 1.558 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000262369179 190054245 /nfs/dbraw/zinc/05/42/45/190054245.db2.gz LLUKFUCCGSIZON-PSASIEDQSA-N 1 0 279.296 1.028 20 5 CDBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCNC(=O)CC1 ZINC000296513628 376323445 /nfs/dbraw/zinc/32/34/45/376323445.db2.gz MGEJZKYLNFXUNO-LBPRGKRZSA-N 1 0 291.351 1.943 20 5 CDBDRO C[C@@H]1[NH2+]CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000262824977 190063593 /nfs/dbraw/zinc/06/35/93/190063593.db2.gz TVRZWTRFOTXMCS-QWRGUYRKSA-N 1 0 277.324 1.346 20 5 CDBDRO Nc1nc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ncc1[N+](=O)[O-] ZINC000263958172 190086202 /nfs/dbraw/zinc/08/62/02/190086202.db2.gz NJGANYYEIVMMOQ-IUCAKERBSA-N 1 0 278.316 1.006 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435243522 248161494 /nfs/dbraw/zinc/16/14/94/248161494.db2.gz VRMREGDUMKDWDV-ZDUSSCGKSA-N 1 0 261.325 1.921 20 5 CDBDRO Nc1c(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000435247515 248162501 /nfs/dbraw/zinc/16/25/01/248162501.db2.gz XAXVIWUUTKJKBI-SNVBAGLBSA-N 1 0 290.323 1.144 20 5 CDBDRO Cc1sc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000435247495 248162590 /nfs/dbraw/zinc/16/25/90/248162590.db2.gz LAHXSQSSDCZKQY-SNVBAGLBSA-N 1 0 295.364 1.931 20 5 CDBDRO [NH3+]CCCN(CC1CCCC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000357353285 377095809 /nfs/dbraw/zinc/09/58/09/377095809.db2.gz LMVMCOLAHKQQQI-UHFFFAOYSA-N 1 0 294.355 1.904 20 5 CDBDRO CCc1ccc(C(=O)NCCC[NH3+])cc1[N+](=O)[O-] ZINC000160152337 377500371 /nfs/dbraw/zinc/50/03/71/377500371.db2.gz ICEHOGXOYJLLHC-UHFFFAOYSA-N 1 0 251.286 1.236 20 5 CDBDRO CN(c1ncccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000265969488 190219355 /nfs/dbraw/zinc/21/93/55/190219355.db2.gz AWSNWGHNIXQJNO-SNVBAGLBSA-N 1 0 250.302 1.520 20 5 CDBDRO COCCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173469931 378455554 /nfs/dbraw/zinc/45/55/54/378455554.db2.gz ATMXPOUSLHJMMR-GFCCVEGCSA-N 1 0 294.355 1.903 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CO)C1 ZINC000266912599 378665257 /nfs/dbraw/zinc/66/52/57/378665257.db2.gz JKJCRVVBIRGSQK-WDEREUQCSA-N 1 0 250.298 1.970 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444264201 250111840 /nfs/dbraw/zinc/11/18/40/250111840.db2.gz CUDBPAKOHSJLJO-SNVBAGLBSA-N 1 0 278.312 1.170 20 5 CDBDRO NC(=[NH2+])NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000447134443 250342619 /nfs/dbraw/zinc/34/26/19/250342619.db2.gz UQHNFSKAXFQMSQ-UHFFFAOYSA-N 1 0 262.191 1.597 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000041031580 379293573 /nfs/dbraw/zinc/29/35/73/379293573.db2.gz BAZIOGIEVLMENY-GFCCVEGCSA-N 1 0 291.351 1.975 20 5 CDBDRO Cc1cc(NCCCN2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000266806209 190281532 /nfs/dbraw/zinc/28/15/32/190281532.db2.gz DFZFFWCEXZGKDP-UHFFFAOYSA-N 1 0 293.371 1.348 20 5 CDBDRO CNC(=O)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266897881 190288565 /nfs/dbraw/zinc/28/85/65/190288565.db2.gz SUFZBTOQOFTGHY-SNVBAGLBSA-N 1 0 265.313 1.772 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268229372 190388217 /nfs/dbraw/zinc/38/82/17/190388217.db2.gz LFUJDHJQTBZUCP-GFCCVEGCSA-N 1 0 297.742 1.959 20 5 CDBDRO CC[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000268843827 190441127 /nfs/dbraw/zinc/44/11/27/190441127.db2.gz NNGKTERTYNQWQR-GFCCVEGCSA-N 1 0 279.340 1.594 20 5 CDBDRO C[NH+](C)C/C=C/C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000492614124 253256688 /nfs/dbraw/zinc/25/66/88/253256688.db2.gz FDOCEIRTJBFLTQ-ONEGZZNKSA-N 1 0 297.742 1.982 20 5 CDBDRO Cc1c(C[NH2+][C@](C)(C(N)=O)C(C)C)cccc1[N+](=O)[O-] ZINC000289411240 197334721 /nfs/dbraw/zinc/33/47/21/197334721.db2.gz SZEBYGJEUKCORL-AWEZNQCLSA-N 1 0 279.340 1.893 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000493136502 253380085 /nfs/dbraw/zinc/38/00/85/253380085.db2.gz DIMBTRCFADDPIZ-LGPHZYABSA-N 1 0 293.298 1.553 20 5 CDBDRO CSCCC[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000281369560 195214238 /nfs/dbraw/zinc/21/42/38/195214238.db2.gz LQQJTTRTBMFIBP-UHFFFAOYSA-N 1 0 285.369 1.441 20 5 CDBDRO C[NH2+]CCC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000043605081 390389439 /nfs/dbraw/zinc/38/94/39/390389439.db2.gz GGQZFBUWRQJFCM-UHFFFAOYSA-N 1 0 251.286 1.163 20 5 CDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1COCCO1 ZINC000450935457 390580272 /nfs/dbraw/zinc/58/02/72/390580272.db2.gz GLQIVWCYITZFJT-AWEZNQCLSA-N 1 0 280.324 1.485 20 5 CDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000450978299 390584052 /nfs/dbraw/zinc/58/40/52/390584052.db2.gz YFYVMCRSJDEVSP-CYBMUJFWSA-N 1 0 280.324 1.485 20 5 CDBDRO COc1cc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000320130837 390629529 /nfs/dbraw/zinc/62/95/29/390629529.db2.gz QXEXBWGSZUKJDZ-BDAKNGLRSA-N 1 0 281.312 1.459 20 5 CDBDRO CC[C@@H](CO)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451158178 390601841 /nfs/dbraw/zinc/60/18/41/390601841.db2.gz KAKVFRPRSGQLGF-VIFPVBQESA-N 1 0 278.312 1.674 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000235347891 390869040 /nfs/dbraw/zinc/86/90/40/390869040.db2.gz YEFKFBQTUGDNIR-PSASIEDQSA-N 1 0 283.353 1.856 20 5 CDBDRO CNc1ccc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000516147111 390964704 /nfs/dbraw/zinc/96/47/04/390964704.db2.gz GBQRUVBDENHYOW-KOLCDFICSA-N 1 0 292.339 1.494 20 5 CDBDRO CO[C@@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000451496798 391090878 /nfs/dbraw/zinc/09/08/78/391090878.db2.gz MHQLZSLCDUUWJC-VHSXEESVSA-N 1 0 268.317 1.231 20 5 CDBDRO C[C@@H]([NH2+]C[C@H]1CN(C)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000495790598 391119914 /nfs/dbraw/zinc/11/99/14/391119914.db2.gz AKTICZJQYVTGHP-SKDRFNHKSA-N 1 0 279.296 1.696 20 5 CDBDRO COC(=O)CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173464722 533428330 /nfs/dbraw/zinc/42/83/30/533428330.db2.gz IEYDUCSZKKNMMR-SNVBAGLBSA-N 1 0 294.311 1.039 20 5 CDBDRO C[NH+](C)C1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413212961 391179020 /nfs/dbraw/zinc/17/90/20/391179020.db2.gz JDXQXNWSEGTZDE-UHFFFAOYSA-N 1 0 290.245 1.759 20 5 CDBDRO COc1ccc(CNC[C@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000415045204 391249931 /nfs/dbraw/zinc/24/99/31/391249931.db2.gz SYARJUFXYIWLJU-GFCCVEGCSA-N 1 0 295.339 1.072 20 5 CDBDRO CCC[NH+]1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193367404 391337054 /nfs/dbraw/zinc/33/70/54/391337054.db2.gz VRAVLTMCALGXAK-UHFFFAOYSA-N 1 0 264.329 1.709 20 5 CDBDRO CC(C)(CCC[NH3+])NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415387576 391396668 /nfs/dbraw/zinc/39/66/68/391396668.db2.gz QMPMEOWSQRLLJM-UHFFFAOYSA-N 1 0 281.316 1.051 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[C@H](C)[NH3+] ZINC000415499649 391467870 /nfs/dbraw/zinc/46/78/70/391467870.db2.gz KDVVROCYEWZKHY-VIFPVBQESA-N 1 0 266.301 1.762 20 5 CDBDRO C[C@H]1[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343480452 391634491 /nfs/dbraw/zinc/63/44/91/391634491.db2.gz RHZVHTGSZSBHMZ-GXSJLCMTSA-N 1 0 292.339 1.588 20 5 CDBDRO C[C@H](CO)N(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000163178744 391904120 /nfs/dbraw/zinc/90/41/20/391904120.db2.gz GTWHVFOFXRDFDN-SECBINFHSA-N 1 0 282.296 1.274 20 5 CDBDRO COCC[N@H+](C)CCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000133092968 391916552 /nfs/dbraw/zinc/91/65/52/391916552.db2.gz YYCHCPVBELJEMF-UHFFFAOYSA-N 1 0 282.344 1.678 20 5 CDBDRO Cc1nc(N2CC[C@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000228164879 391920466 /nfs/dbraw/zinc/92/04/66/391920466.db2.gz HULYLOACBARXNH-WPRPVWTQSA-N 1 0 250.302 1.472 20 5 CDBDRO CC[NH+]1C[C@H](C)N(CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000459459011 392439906 /nfs/dbraw/zinc/43/99/06/392439906.db2.gz HRJVHYQBNIVBJK-RYUDHWBXSA-N 1 0 281.360 1.206 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NC1CC1 ZINC000459550275 392463140 /nfs/dbraw/zinc/46/31/40/392463140.db2.gz HUBPBOHTEFUDSZ-SNVBAGLBSA-N 1 0 277.324 1.394 20 5 CDBDRO C[C@H](C[NH3+])CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000420223026 392906583 /nfs/dbraw/zinc/90/65/83/392906583.db2.gz ZFOQFWKSCWYHMR-MRVPVSSYSA-N 1 0 287.341 1.005 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[NH2+]C1 ZINC000418346786 392880771 /nfs/dbraw/zinc/88/07/71/392880771.db2.gz CTVFEYHGTLTRAI-NSHDSACASA-N 1 0 278.312 1.098 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CC[C@H](C)C2)c1 ZINC000525291966 392925607 /nfs/dbraw/zinc/92/56/07/392925607.db2.gz UZCDQOWVDMMHMH-LBPRGKRZSA-N 1 0 291.351 1.975 20 5 CDBDRO Cc1ccc(C[NH2+]CC2(CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000421349863 392930919 /nfs/dbraw/zinc/93/09/19/392930919.db2.gz JZCBEBIHJRZNSY-UHFFFAOYSA-N 1 0 277.324 1.648 20 5 CDBDRO COc1cccc(C(=O)N2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000422686400 392957359 /nfs/dbraw/zinc/95/73/59/392957359.db2.gz HYJSNVATDWANHV-SECBINFHSA-N 1 0 279.296 1.167 20 5 CDBDRO [NH3+]CC1(CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000423176027 392958727 /nfs/dbraw/zinc/95/87/27/392958727.db2.gz BNUIGRFCSZRYLQ-UHFFFAOYSA-N 1 0 289.335 1.609 20 5 CDBDRO C[NH+](C)CCNc1c(Br)cncc1[N+](=O)[O-] ZINC000096311299 393175713 /nfs/dbraw/zinc/17/57/13/393175713.db2.gz MFLYZFDQQCYDAQ-UHFFFAOYSA-N 1 0 289.133 1.726 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000449584943 393135868 /nfs/dbraw/zinc/13/58/68/393135868.db2.gz DXVKAEZZSYXBLY-ZJUUUORDSA-N 1 0 265.313 1.379 20 5 CDBDRO [NH3+]C[C@H](Nc1ncc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000130878243 139831363 /nfs/dbraw/zinc/83/13/63/139831363.db2.gz DQOCDZJBNMKGBZ-NSHDSACASA-N 1 0 265.317 1.704 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCC1=CC[NH2+]CC1 ZINC000186310649 140058438 /nfs/dbraw/zinc/05/84/38/140058438.db2.gz VJMUYUSBGYMLNY-UHFFFAOYSA-N 1 0 289.335 1.563 20 5 CDBDRO C[N@@H+]1CC[C@@H](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000187651638 140081871 /nfs/dbraw/zinc/08/18/71/140081871.db2.gz QLKQRWMIHGCOTL-SECBINFHSA-N 1 0 289.291 1.143 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000230069488 140207246 /nfs/dbraw/zinc/20/72/46/140207246.db2.gz MNSXKBYMVXZCIJ-FPMFFAJLSA-N 1 0 289.335 1.794 20 5 CDBDRO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000245889178 140279121 /nfs/dbraw/zinc/27/91/21/140279121.db2.gz JJLMCEOMDHUEBG-GHMZBOCLSA-N 1 0 252.318 1.769 20 5 CDBDRO C[C@]1(C[NH3+])CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000261563435 140349740 /nfs/dbraw/zinc/34/97/40/140349740.db2.gz GWDTVLHMLYJMQA-LLVKDONJSA-N 1 0 269.326 1.467 20 5 CDBDRO [NH3+]C1(CNc2ncnc3sc([N+](=O)[O-])cc32)CCC1 ZINC000261587494 140357218 /nfs/dbraw/zinc/35/72/18/140357218.db2.gz JMCAJZAAAAGLLT-UHFFFAOYSA-N 1 0 279.325 1.893 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C[C@@H]12 ZINC000261655203 140371436 /nfs/dbraw/zinc/37/14/36/140371436.db2.gz JZSUFSIUQCNVLW-BZHVJNSISA-N 1 0 293.298 1.543 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261723279 140380651 /nfs/dbraw/zinc/38/06/51/140380651.db2.gz QJCJKLNNTAVSFO-LEWSCRJBSA-N 1 0 291.351 1.773 20 5 CDBDRO Cc1c(C(=O)N2CC[C@@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000261830278 140395888 /nfs/dbraw/zinc/39/58/88/140395888.db2.gz USSUARWEQHZKPD-AWEZNQCLSA-N 1 0 277.324 1.714 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000262315577 140424408 /nfs/dbraw/zinc/42/44/08/140424408.db2.gz BJIPHPMBKFZSKJ-SNVBAGLBSA-N 1 0 279.340 1.885 20 5 CDBDRO CC1(C)C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C(C)(C)O1 ZINC000090538528 146958951 /nfs/dbraw/zinc/95/89/51/146958951.db2.gz YMLMSAWMNSQPLQ-LLVKDONJSA-N 1 0 282.344 1.727 20 5 CDBDRO COc1ccc(NC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)cc1[N+](=O)[O-] ZINC000127625815 147564058 /nfs/dbraw/zinc/56/40/58/147564058.db2.gz MEPZGCBYQMMPFE-ONGXEEELSA-N 1 0 293.323 1.930 20 5 CDBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(N)=O ZINC000178688697 148073500 /nfs/dbraw/zinc/07/35/00/148073500.db2.gz GRBLJDAQWVDKJX-ONGXEEELSA-N 1 0 265.313 1.818 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1CN[C@H]1CC[NH2+]C1 ZINC000262016295 149000796 /nfs/dbraw/zinc/00/07/96/149000796.db2.gz FWBHKQJXVALBSS-JTQLQIEISA-N 1 0 255.705 1.700 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000262083571 149012150 /nfs/dbraw/zinc/01/21/50/149012150.db2.gz QSJKSJJXYTWZJE-VHSXEESVSA-N 1 0 299.352 1.143 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]([NH3+])CC(F)F ZINC000311361626 149211924 /nfs/dbraw/zinc/21/19/24/149211924.db2.gz HOTFSGMXNBNLPK-QMMMGPOBSA-N 1 0 273.239 1.824 20 5 CDBDRO C[C@H](CCCC[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000312562755 149234532 /nfs/dbraw/zinc/23/45/32/149234532.db2.gz SZYDDNDACKLIIR-SECBINFHSA-N 1 0 283.303 1.981 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000322775229 149263778 /nfs/dbraw/zinc/26/37/78/149263778.db2.gz JIFSWVATOIORJS-SECBINFHSA-N 1 0 251.286 1.209 20 5 CDBDRO COc1cc(C[N@H+](C)[C@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000352668688 155342583 /nfs/dbraw/zinc/34/25/83/155342583.db2.gz UIPODEHRWMTIAT-AAEUAGOBSA-N 1 0 280.324 1.949 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000344041573 152399931 /nfs/dbraw/zinc/39/99/31/152399931.db2.gz WKQZWWAAEGXKHH-OUCADQQQSA-N 1 0 292.335 1.676 20 5 CDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH3+])C1 ZINC000346080474 153045677 /nfs/dbraw/zinc/04/56/77/153045677.db2.gz DAJBCWCJVXYGCW-WDEREUQCSA-N 1 0 292.339 1.345 20 5 CDBDRO Cn1c(C(=O)NCCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000346441598 153189593 /nfs/dbraw/zinc/18/95/93/153189593.db2.gz YISGJKYAUSUHGD-UHFFFAOYSA-N 1 0 268.317 1.005 20 5 CDBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000346685532 153271822 /nfs/dbraw/zinc/27/18/22/153271822.db2.gz SQAINFHKFWMVHN-GWCFXTLKSA-N 1 0 278.308 1.978 20 5 CDBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H](C)O ZINC000352213464 155026907 /nfs/dbraw/zinc/02/69/07/155026907.db2.gz VBVZMWHVWBAPQN-SNVBAGLBSA-N 1 0 296.323 1.664 20 5 CDBDRO O=[N+]([O-])c1cc2ccccc2nc1NCC[NH+]1CCC1 ZINC000352354699 155114184 /nfs/dbraw/zinc/11/41/84/155114184.db2.gz DEAJJDXWJVRUHU-UHFFFAOYSA-N 1 0 272.308 1.683 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000375250517 160357474 /nfs/dbraw/zinc/35/74/74/160357474.db2.gz OOGPHIJIFJVKRN-FZMZJTMJSA-N 1 0 275.308 1.841 20 5 CDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000359209986 158164447 /nfs/dbraw/zinc/16/44/47/158164447.db2.gz IOONAWVOVTWTIB-NSHDSACASA-N 1 0 295.314 1.948 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C1CC1)[NH+](C)C ZINC000359482628 158261515 /nfs/dbraw/zinc/26/15/15/158261515.db2.gz NYARYPQBWJDVOX-LLVKDONJSA-N 1 0 281.360 1.872 20 5 CDBDRO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000362072341 159059580 /nfs/dbraw/zinc/05/95/80/159059580.db2.gz MJCFEMCUGDSDJB-AAEUAGOBSA-N 1 0 264.325 1.698 20 5 CDBDRO Cc1cccc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC000089091384 292427614 /nfs/dbraw/zinc/42/76/14/292427614.db2.gz XIPQKFDTQPNOIT-PWSUYJOCSA-N 1 0 277.324 1.760 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020496726 171227067 /nfs/dbraw/zinc/22/70/67/171227067.db2.gz CFLNKUZDYALQLF-VMPITWQZSA-N 1 0 289.335 1.772 20 5 CDBDRO C[NH+](C)CCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000033406375 171790549 /nfs/dbraw/zinc/79/05/49/171790549.db2.gz LJSIONKADBUDFQ-TWGQIWQCSA-N 1 0 277.324 1.676 20 5 CDBDRO C[N@H+](CCOCCO)CCc1ccccc1[N+](=O)[O-] ZINC000285373934 196264975 /nfs/dbraw/zinc/26/49/75/196264975.db2.gz REUUEQGJUHWLNI-UHFFFAOYSA-N 1 0 268.313 1.078 20 5 CDBDRO C[C@@H](C[NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000285804736 196404435 /nfs/dbraw/zinc/40/44/35/196404435.db2.gz QPVJNRCVIQVROF-NSHDSACASA-N 1 0 279.340 1.629 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])ccc1[N+](=O)[O-] ZINC000038049742 174061100 /nfs/dbraw/zinc/06/11/00/174061100.db2.gz MOZYYEUUWBADGH-VXGBXAGGSA-N 1 0 277.324 1.903 20 5 CDBDRO CC[C@@H](CO)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000038079439 174089261 /nfs/dbraw/zinc/08/92/61/174089261.db2.gz OATWJYMFPIRZLK-JTQLQIEISA-N 1 0 254.286 1.334 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000040595984 174348743 /nfs/dbraw/zinc/34/87/43/174348743.db2.gz AEICETJFMXFMRM-JTQLQIEISA-N 1 0 280.328 1.005 20 5 CDBDRO COc1ccc(C(=O)NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000044492179 175180878 /nfs/dbraw/zinc/18/08/78/175180878.db2.gz JEYNIZVEVWXSND-NSHDSACASA-N 1 0 293.323 1.475 20 5 CDBDRO [NH3+]CC1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000044512800 175188354 /nfs/dbraw/zinc/18/83/54/175188354.db2.gz FFEZTHIJEGFNLZ-UHFFFAOYSA-N 1 0 277.324 1.335 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000044537835 175199508 /nfs/dbraw/zinc/19/95/08/175199508.db2.gz JSRHCLZKSLTRKU-VIFPVBQESA-N 1 0 251.290 1.139 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCN(C3CC3)C2)cc1 ZINC000044722148 175236786 /nfs/dbraw/zinc/23/67/86/175236786.db2.gz TYNIQUDIIJTZME-ZDUSSCGKSA-N 1 0 275.352 1.964 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH2+]CC1 ZINC000044747919 175243636 /nfs/dbraw/zinc/24/36/36/175243636.db2.gz AVHVKGZIBUBNBP-UHFFFAOYSA-N 1 0 263.297 1.385 20 5 CDBDRO Cc1c(C[NH2+]CCC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000044992260 175286322 /nfs/dbraw/zinc/28/63/22/175286322.db2.gz CIGICALWHCAOSN-UHFFFAOYSA-N 1 0 265.313 1.471 20 5 CDBDRO [NH3+]C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000050246048 175513082 /nfs/dbraw/zinc/51/30/82/175513082.db2.gz BUSFADWNMWJWHA-SSDOTTSWSA-N 1 0 255.299 1.077 20 5 CDBDRO O=[N+]([O-])c1c(N[C@@H]2CC[NH2+]C2)ccc2ncccc21 ZINC000052093952 175532402 /nfs/dbraw/zinc/53/24/02/175532402.db2.gz WPRXFDKIPZCIQC-SECBINFHSA-N 1 0 258.281 1.917 20 5 CDBDRO CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000071313291 176119742 /nfs/dbraw/zinc/11/97/42/176119742.db2.gz WBUPVESFSNHSRG-NSHDSACASA-N 1 0 292.339 1.217 20 5 CDBDRO O=C(NCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000080156599 177615964 /nfs/dbraw/zinc/61/59/64/177615964.db2.gz YCTJCHJFWMIDIY-UHFFFAOYSA-N 1 0 281.287 1.560 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000156298379 292583860 /nfs/dbraw/zinc/58/38/60/292583860.db2.gz RUOYXSMJLKLAGG-NEPJUHHUSA-N 1 0 289.335 1.870 20 5 CDBDRO C[C@](C[NH3+])(NC(=O)/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000313262888 260273365 /nfs/dbraw/zinc/27/33/65/260273365.db2.gz BYMZAXJPFJFHJQ-WUKHSURWSA-N 1 0 289.335 1.852 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000186775714 262324096 /nfs/dbraw/zinc/32/40/96/262324096.db2.gz LVEKIEGCIDBRBW-VYBLIETJSA-N 1 0 289.335 1.722 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000277334944 263040745 /nfs/dbraw/zinc/04/07/45/263040745.db2.gz RYPUBAGGKWEXAB-JTQLQIEISA-N 1 0 280.328 1.479 20 5 CDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCC[C@H]1CCC[NH2+]1 ZINC000313441049 270325334 /nfs/dbraw/zinc/32/53/34/270325334.db2.gz ACCCDVMGZRLVJF-FMFIFOJESA-N 1 0 289.335 1.866 20 5 CDBDRO CC(C)[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000399720875 270375101 /nfs/dbraw/zinc/37/51/01/270375101.db2.gz IGIRESGAZWVZOA-GXFFZTMASA-N 1 0 279.340 1.830 20 5 CDBDRO O=c1c([N+](=O)[O-])cc(Cl)cn1CC[C@H]1CCC[NH2+]C1 ZINC000521619568 270557216 /nfs/dbraw/zinc/55/72/16/270557216.db2.gz BNRAMZXICWYORF-SECBINFHSA-N 1 0 285.731 1.800 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000307888740 273591850 /nfs/dbraw/zinc/59/18/50/273591850.db2.gz AATJADUFLSZHJN-MRVPVSSYSA-N 1 0 269.326 1.527 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331673750 274378280 /nfs/dbraw/zinc/37/82/80/274378280.db2.gz ZKBYADDLXMSYAL-BXKDBHETSA-N 1 0 275.308 1.339 20 5 CDBDRO [NH3+]C[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000236172312 274952376 /nfs/dbraw/zinc/95/23/76/274952376.db2.gz IPLPXFRXRILDFB-SSDOTTSWSA-N 1 0 256.693 1.571 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000179197438 278181813 /nfs/dbraw/zinc/18/18/13/278181813.db2.gz VOQSMUHEIQMCJM-QROSGCPLSA-N 1 0 263.297 1.414 20 5 CDBDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccccc1[N+](=O)[O-] ZINC000323255854 278276823 /nfs/dbraw/zinc/27/68/23/278276823.db2.gz FQVOKDHIKIJUOG-XRNSZHNASA-N 1 0 252.270 1.005 20 5 CDBDRO Cc1c(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000129221824 279593772 /nfs/dbraw/zinc/59/37/72/279593772.db2.gz VEJWVAKLKDLDOG-KOLCDFICSA-N 1 0 277.324 1.855 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000213976049 280087357 /nfs/dbraw/zinc/08/73/57/280087357.db2.gz SWVDKEQGPUBDPH-ISALQUGTSA-N 1 0 275.308 1.428 20 5 CDBDRO C[C@H]1[C@@H](C)[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000419376928 280097009 /nfs/dbraw/zinc/09/70/09/280097009.db2.gz UKYVUVUVUXFDJJ-IJLUTSLNSA-N 1 0 279.340 1.733 20 5 CDBDRO O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCCC[NH2+]1 ZINC000236582964 280129064 /nfs/dbraw/zinc/12/90/64/280129064.db2.gz JDDSFNNRJKAIGA-SNVBAGLBSA-N 1 0 279.296 1.771 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000237559536 280180356 /nfs/dbraw/zinc/18/03/56/280180356.db2.gz OFSRCPAMJUJQFU-VQCYPWCPSA-N 1 0 263.297 1.319 20 5 CDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[NH2+]1 ZINC000238131022 280199032 /nfs/dbraw/zinc/19/90/32/280199032.db2.gz RLBSBFWRSGRKRM-ZDUSSCGKSA-N 1 0 292.339 1.265 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCS(=O)(=O)CC2)cc1 ZINC000036330979 280364465 /nfs/dbraw/zinc/36/44/65/280364465.db2.gz WUXHQLAUEPQXFG-UHFFFAOYSA-N 1 0 284.337 1.262 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000044747905 280658465 /nfs/dbraw/zinc/65/84/65/280658465.db2.gz FLBWBTPXWKJBJC-GXFFZTMASA-N 1 0 275.308 1.337 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000520815204 281055923 /nfs/dbraw/zinc/05/59/23/281055923.db2.gz BFTCFEAQEGJFPY-SFYZADRCSA-N 1 0 283.332 1.126 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000193545761 288849166 /nfs/dbraw/zinc/84/91/66/288849166.db2.gz QILKTRYBSWIQNW-QWRGUYRKSA-N 1 0 293.323 1.230 20 5 CDBDRO C[NH+](C)CCCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491897177 289115618 /nfs/dbraw/zinc/11/56/18/289115618.db2.gz YMJJFLLUVADLAP-ALCCZGGFSA-N 1 0 295.314 1.815 20 5 CDBDRO CC1(C)CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000255370219 289368985 /nfs/dbraw/zinc/36/89/85/289368985.db2.gz RLSYBOSOBIIAPX-FPLPWBNLSA-N 1 0 289.335 1.818 20 5 CDBDRO CCN(C)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000564705582 293396702 /nfs/dbraw/zinc/39/67/02/293396702.db2.gz KDRZYHASVGQFFK-QWHCGFSZSA-N 1 0 295.387 1.816 20 5 CDBDRO CNc1ccc(C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000567837217 293884829 /nfs/dbraw/zinc/88/48/29/293884829.db2.gz ARGNYHFVFTYZMK-AWEZNQCLSA-N 1 0 292.339 1.447 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000569555443 294195408 /nfs/dbraw/zinc/19/54/08/294195408.db2.gz QRGWMRMUWIWGKO-JTQLQIEISA-N 1 0 294.311 1.429 20 5 CDBDRO CC(C)[NH2+]CCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000574987162 295084253 /nfs/dbraw/zinc/08/42/53/295084253.db2.gz JLOLPWPBWXLDRZ-UHFFFAOYSA-N 1 0 291.311 1.798 20 5 CDBDRO [NH3+]C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000165835753 295260615 /nfs/dbraw/zinc/26/06/15/295260615.db2.gz QRPAQNAMIBLXIP-SECBINFHSA-N 1 0 271.704 1.412 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000131880947 297250561 /nfs/dbraw/zinc/25/05/61/297250561.db2.gz HIJCXCAUMZPSFT-ZJUUUORDSA-N 1 0 263.297 1.404 20 5 CDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H]2C)c([N+](=O)[O-])c1 ZINC000420435891 301681661 /nfs/dbraw/zinc/68/16/61/301681661.db2.gz TUFXZSJVHKYOEK-UWVGGRQHSA-N 1 0 299.352 1.013 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000089091654 303409131 /nfs/dbraw/zinc/40/91/31/303409131.db2.gz YDSPLTFXCYAVJH-VHSXEESVSA-N 1 0 299.352 1.001 20 5 CDBDRO Cc1c(NC(=O)[C@]23C[C@H]2CC[NH2+]3)cccc1[N+](=O)[O-] ZINC000570154236 316920471 /nfs/dbraw/zinc/92/04/71/316920471.db2.gz KRHGCBPSEITLNQ-RNCFNFMXSA-N 1 0 261.281 1.594 20 5 CDBDRO CO[C@@H]1COC[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000576702923 317190350 /nfs/dbraw/zinc/19/03/50/317190350.db2.gz CYCQSELNVXDRBJ-RRFJBIMHSA-N 1 0 292.335 1.976 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000382447601 323640714 /nfs/dbraw/zinc/64/07/14/323640714.db2.gz KLOBXMSCMRQWAH-UWVGGRQHSA-N 1 0 299.352 1.001 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3C[NH2+]C[C@@H]32)c(Cl)c1 ZINC000385195322 323702442 /nfs/dbraw/zinc/70/24/42/323702442.db2.gz DPEFFJQTIILLOU-XCBNKYQSSA-N 1 0 268.704 1.441 20 5 CDBDRO CNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000578712979 324001377 /nfs/dbraw/zinc/00/13/77/324001377.db2.gz DICMBQGKLYBFBF-UWVGGRQHSA-N 1 0 265.313 1.688 20 5 CDBDRO O=C1NCC[C@]12CCC[N@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000579850436 324301076 /nfs/dbraw/zinc/30/10/76/324301076.db2.gz XHWHATCQFQSACW-OAHLLOKOSA-N 1 0 289.335 1.492 20 5 CDBDRO COc1ccc(CC(=O)N[C@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000579955528 324326849 /nfs/dbraw/zinc/32/68/49/324326849.db2.gz TYIMMJMTPBHZQS-VHSXEESVSA-N 1 0 295.339 1.388 20 5 CDBDRO CNc1ccc(C(=O)N2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000580283539 324418798 /nfs/dbraw/zinc/41/87/98/324418798.db2.gz BWIZMETTWLVYSK-SNVBAGLBSA-N 1 0 292.339 1.447 20 5 CDBDRO CC[N@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000582592760 325004419 /nfs/dbraw/zinc/00/44/19/325004419.db2.gz QQVBBBFTRLPMPU-SNVBAGLBSA-N 1 0 282.319 1.907 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000036282252 329506263 /nfs/dbraw/zinc/50/62/63/329506263.db2.gz LXBUFYVFAWTASJ-UHFFFAOYSA-N 1 0 265.313 1.633 20 5 CDBDRO [NH3+]CCc1nnn(-c2cc(Cl)ccc2/C=C/[N+](=O)[O-])n1 ZINC001167791828 1159724452 /nfs/dbraw/zinc/72/44/52/1159724452.db2.gz MGQCPXMWGHBBCW-GQCTYLIASA-N 1 0 294.702 1.064 20 5 CDBDRO Cc1cnc(C[NH3+])n1-c1cnc(F)c([N+](=O)[O-])c1 ZINC001169029485 1161997672 /nfs/dbraw/zinc/99/76/72/1161997672.db2.gz RWABERGCLLCDGF-UHFFFAOYSA-N 1 0 251.221 1.082 20 5 CDBDRO COc1nc(-n2ccc3c2CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001157442633 1162087010 /nfs/dbraw/zinc/08/70/10/1162087010.db2.gz NJDUGSADXRILIV-UHFFFAOYSA-N 1 0 274.280 1.435 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNc1c([N+](=O)[O-])c(C)nn1C ZINC000227009906 522059686 /nfs/dbraw/zinc/05/96/86/522059686.db2.gz AHBRJKHLNWOIDW-SECBINFHSA-N 1 0 269.349 1.779 20 5 CDBDRO CNc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000050770054 522590809 /nfs/dbraw/zinc/59/08/09/522590809.db2.gz WDZWAZGCTGBMAJ-JTQLQIEISA-N 1 0 292.339 1.318 20 5 CDBDRO CC[C@@]1(CO)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000187589682 523739761 /nfs/dbraw/zinc/73/97/61/523739761.db2.gz CHRZCUXAHYTXFZ-CYBMUJFWSA-N 1 0 282.344 1.276 20 5 CDBDRO CO[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000226410060 523997195 /nfs/dbraw/zinc/99/71/95/523997195.db2.gz TURLABUEUOQPLW-KGLIPLIRSA-N 1 0 279.340 1.533 20 5 CDBDRO COc1ccc(Cn2ccnc2C[NH3+])cc1[N+](=O)[O-] ZINC000051004061 524264414 /nfs/dbraw/zinc/26/44/14/524264414.db2.gz JTVKOTVLZKFLSL-UHFFFAOYSA-N 1 0 262.269 1.307 20 5 CDBDRO C[C@]1(C[NH3+])CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000261555856 525245050 /nfs/dbraw/zinc/24/50/50/525245050.db2.gz QDCLJQWYLXVLRV-LLVKDONJSA-N 1 0 255.343 1.827 20 5 CDBDRO C[C@@H]([NH2+]CCc1ncn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000148731325 525469494 /nfs/dbraw/zinc/46/94/94/525469494.db2.gz MALDCJZVIPRHOO-SNVBAGLBSA-N 1 0 275.312 1.617 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000070175907 526267418 /nfs/dbraw/zinc/26/74/18/526267418.db2.gz QGZOYSKTWIZJGA-GXFFZTMASA-N 1 0 277.324 1.794 20 5 CDBDRO NC(=O)C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000367983299 526904972 /nfs/dbraw/zinc/90/49/72/526904972.db2.gz OKVODQLLPMXIPG-NSHDSACASA-N 1 0 263.297 1.292 20 5 CDBDRO [NH3+]C1(C(=O)NCc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000052943208 527128705 /nfs/dbraw/zinc/12/87/05/527128705.db2.gz IDSAUHUBLWJWOL-UHFFFAOYSA-N 1 0 277.324 1.873 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1COCCO1 ZINC000050443590 527333313 /nfs/dbraw/zinc/33/33/13/527333313.db2.gz VVGKCFQNLVSUDL-LLVKDONJSA-N 1 0 286.715 1.753 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000261667560 535968665 /nfs/dbraw/zinc/96/86/65/535968665.db2.gz ZPBPSNPURKSKLM-WCBMZHEXSA-N 1 0 267.333 1.293 20 5 CDBDRO CNC(=O)c1ccc(NC[C@@H]([NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000213346782 536434211 /nfs/dbraw/zinc/43/42/11/536434211.db2.gz QWHPOZWYDRWOLS-SNVBAGLBSA-N 1 0 278.312 1.104 20 5 CDBDRO COc1cc(C(=O)N[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1C ZINC000422736312 536503304 /nfs/dbraw/zinc/50/33/04/536503304.db2.gz VWQPYLGDCDFXGN-LLVKDONJSA-N 1 0 293.323 1.394 20 5 CDBDRO CO[C@H](C[NH3+])CC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000232113932 536574816 /nfs/dbraw/zinc/57/48/16/536574816.db2.gz DGWSIZFDLHYVNJ-VIFPVBQESA-N 1 0 267.285 1.206 20 5 CDBDRO COC1([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CCC1 ZINC000412026402 536707463 /nfs/dbraw/zinc/70/74/63/536707463.db2.gz SEWZGSISZQGEOA-LLVKDONJSA-N 1 0 295.339 1.304 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCCCO2)c1 ZINC000749691705 574539383 /nfs/dbraw/zinc/53/93/83/574539383.db2.gz RCIQTXVISPCBOK-UONOGXRCSA-N 1 0 280.324 1.787 20 5 CDBDRO C[NH+](C)[C@H](CNc1nc2ccccn2c1[N+](=O)[O-])C1CC1 ZINC000730098774 574849389 /nfs/dbraw/zinc/84/93/89/574849389.db2.gz QGKAYVOSMMMCDG-LLVKDONJSA-N 1 0 289.339 1.995 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCS(C)(=O)=O ZINC000765442065 575090142 /nfs/dbraw/zinc/09/01/42/575090142.db2.gz PWTWCVVWUODVDB-SNVBAGLBSA-N 1 0 286.353 1.598 20 5 CDBDRO Cc1ccc(C[NH2+][C@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000734165383 575161361 /nfs/dbraw/zinc/16/13/61/575161361.db2.gz YBBNGDIVIUKYFV-GFCCVEGCSA-N 1 0 250.298 1.764 20 5 CDBDRO C[NH+]1CCC(ONC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000773549760 575823555 /nfs/dbraw/zinc/82/35/55/575823555.db2.gz MUNONWURMOGKNL-UHFFFAOYSA-N 1 0 279.296 1.350 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](CO)C2CC2)c1 ZINC000763073993 576709718 /nfs/dbraw/zinc/70/97/18/576709718.db2.gz WTUAJAJOXQHVDK-CYBMUJFWSA-N 1 0 266.297 1.334 20 5 CDBDRO C[C@@H]1C[NH+](CCCNc2c([N+](=O)[O-])cnn2C)C[C@@H](C)O1 ZINC000891675310 617533609 /nfs/dbraw/zinc/53/36/09/617533609.db2.gz RUVKAVZIACJZNL-GHMZBOCLSA-N 1 0 297.359 1.240 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NCC[NH+]1CCCCC1 ZINC000891837703 617635261 /nfs/dbraw/zinc/63/52/61/617635261.db2.gz RDPPCTNDBGBNNT-UHFFFAOYSA-N 1 0 280.328 1.896 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000891845954 617642362 /nfs/dbraw/zinc/64/23/62/617642362.db2.gz GYHDLVZRTCDRRA-VHSXEESVSA-N 1 0 265.317 1.367 20 5 CDBDRO CC(C)[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CC[NH2+]1 ZINC000856489186 617646639 /nfs/dbraw/zinc/64/66/39/617646639.db2.gz LDBIFFLQXOIGII-NSHDSACASA-N 1 0 271.361 1.278 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@@H](C1CC1)[NH+](C)C ZINC000892345425 617961462 /nfs/dbraw/zinc/96/14/62/617961462.db2.gz OSGONLSJSUTLRV-NSHDSACASA-N 1 0 280.328 1.751 20 5 CDBDRO C[NH+](C)C1(CNc2ccc3nonc3c2[N+](=O)[O-])CC1 ZINC000894231021 618740235 /nfs/dbraw/zinc/74/02/35/618740235.db2.gz JSKTWOSFWYZPIS-UHFFFAOYSA-N 1 0 277.284 1.637 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1COCO1 ZINC000894886155 619122547 /nfs/dbraw/zinc/12/25/47/619122547.db2.gz CGHKVJSCBWFGIX-JTQLQIEISA-N 1 0 272.688 1.711 20 5 CDBDRO CCC[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[NH2+]1 ZINC000895059764 619243384 /nfs/dbraw/zinc/24/33/84/619243384.db2.gz XEPRMMWFERGSSB-SNVBAGLBSA-N 1 0 250.302 1.568 20 5 CDBDRO C[C@@H](Nc1c(F)cccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895247137 619493593 /nfs/dbraw/zinc/49/35/93/619493593.db2.gz TUDRQTSDXFYBAW-ZWNOBZJWSA-N 1 0 296.346 1.780 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CO)C[C@@H]2CCCO2)cc1 ZINC000895750001 619826453 /nfs/dbraw/zinc/82/64/53/619826453.db2.gz XEMPDUHYUDUNHY-ZFWWWQNUSA-N 1 0 294.351 1.657 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000923890087 621662112 /nfs/dbraw/zinc/66/21/12/621662112.db2.gz PBRAYQFYQZEPLM-LBPRGKRZSA-N 1 0 296.327 1.207 20 5 CDBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000905077520 626392646 /nfs/dbraw/zinc/39/26/46/626392646.db2.gz ZNIBOHBRKDEZEL-UHFFFAOYSA-N 1 0 266.297 1.559 20 5 CDBDRO CO[C@H](C[NH2+]CC[N+](=O)[O-])c1cccc(Cl)c1 ZINC000905137495 626651079 /nfs/dbraw/zinc/65/10/79/626651079.db2.gz VCEZJABUCWJQGU-LLVKDONJSA-N 1 0 258.705 1.894 20 5 CDBDRO C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]CC[N+](=O)[O-] ZINC000905363832 626783943 /nfs/dbraw/zinc/78/39/43/626783943.db2.gz GUKRPHQJLPFQIZ-JOYOIKCWSA-N 1 0 256.277 1.504 20 5 CDBDRO CC[NH+]1CCN(c2ccc(NCC[N+](=O)[O-])cc2F)CC1 ZINC000905407006 626799741 /nfs/dbraw/zinc/79/97/41/626799741.db2.gz DUFPZTYQBWVPDF-UHFFFAOYSA-N 1 0 296.346 1.656 20 5 CDBDRO CCC[C@@H](O)CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000905588807 626879288 /nfs/dbraw/zinc/87/92/88/626879288.db2.gz MDJMBXJMLXYWJF-KGLIPLIRSA-N 1 0 282.340 1.769 20 5 CDBDRO CN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000911788921 629513611 /nfs/dbraw/zinc/51/36/11/629513611.db2.gz TVBUUYFNWMUXGW-BFHYXJOUSA-N 1 0 289.335 1.519 20 5 CDBDRO CC(C)([NH3+])CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911844769 629584763 /nfs/dbraw/zinc/58/47/63/629584763.db2.gz BKAPDERHKBYHPQ-NEPJUHHUSA-N 1 0 277.324 1.552 20 5 CDBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000912805061 630217647 /nfs/dbraw/zinc/21/76/47/630217647.db2.gz IGQJKQWXXRPGAH-FVCCEPFGSA-N 1 0 283.372 1.230 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2(O)CCCCC2)cc1 ZINC000109121372 1158476566 /nfs/dbraw/zinc/47/65/66/1158476566.db2.gz CNQXHDAISTWLJD-AWEZNQCLSA-N 1 0 294.351 1.913 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)CCO)c([N+](=O)[O-])c1 ZINC001170297904 1162328479 /nfs/dbraw/zinc/32/84/79/1162328479.db2.gz VLYNCJJFNWFFMV-GHMZBOCLSA-N 1 0 282.340 1.895 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2COC(=O)C2)c([N+](=O)[O-])c1 ZINC001170304959 1162330265 /nfs/dbraw/zinc/33/02/65/1162330265.db2.gz IMSGXMKUELPZQB-ONGXEEELSA-N 1 0 294.307 1.440 20 5 CDBDRO Cc1c(C)c(N2CCC[C@H]([NH3+])[C@H]2C)ncc1[N+](=O)[O-] ZINC001157744832 1162385620 /nfs/dbraw/zinc/38/56/20/1162385620.db2.gz YMSDYQCKLCPDMK-MNOVXSKESA-N 1 0 264.329 1.923 20 5 CDBDRO COc1nc(C)c(N[C@H](C)[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC001170569396 1162948553 /nfs/dbraw/zinc/94/85/53/1162948553.db2.gz RTYZLHPBCSHTPJ-BXKDBHETSA-N 1 0 296.327 1.096 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[NH+](C)C ZINC000111614229 1158596985 /nfs/dbraw/zinc/59/69/85/1158596985.db2.gz BHSLWZMERCPWKL-UHFFFAOYSA-N 1 0 280.328 1.270 20 5 CDBDRO C[C@@H](Nc1ccc2nc[nH]c2c1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001170574815 1162977847 /nfs/dbraw/zinc/97/78/47/1162977847.db2.gz UFZIISWNJYYWBO-KCJUWKMLSA-N 1 0 291.311 1.260 20 5 CDBDRO Cc1ncn([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1CC[NH3+] ZINC001168966593 1161996168 /nfs/dbraw/zinc/99/61/68/1161996168.db2.gz JPVGKXTUQQEERF-MNOVXSKESA-N 1 0 252.318 1.311 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CO[C@H]1CC[NH2+]C1 ZINC000051782306 1166743945 /nfs/dbraw/zinc/74/39/45/1166743945.db2.gz FJDKOGSZUJNIJT-NSHDSACASA-N 1 0 252.270 1.482 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC001155582900 1167240758 /nfs/dbraw/zinc/24/07/58/1167240758.db2.gz DQBJQBXXMSIJSC-UTLUCORTSA-N 1 0 263.301 1.103 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001155616135 1167259106 /nfs/dbraw/zinc/25/91/06/1167259106.db2.gz ATALRZPYAVBJOI-BXUZGUMPSA-N 1 0 292.339 1.621 20 5 CDBDRO COc1cc(CC[N+](=O)[O-])ccc1O[C@@H]1CC[N@H+](C)C1 ZINC001233979604 1167392306 /nfs/dbraw/zinc/39/23/06/1167392306.db2.gz ABEJQTYCXLFHLV-GFCCVEGCSA-N 1 0 280.324 1.597 20 5 CDBDRO CC(C)(CCC(=O)N1CCCC[C@H]1C[NH3+])[N+](=O)[O-] ZINC001575298587 1171146450 /nfs/dbraw/zinc/14/64/50/1171146450.db2.gz BBTFGLNJVDYGLM-JTQLQIEISA-N 1 0 257.334 1.162 20 5 CDBDRO CN(C[C@@H]1CC[NH2+]1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001578456533 1171919031 /nfs/dbraw/zinc/91/90/31/1171919031.db2.gz PIKLUWBGETUNKL-VIFPVBQESA-N 1 0 283.715 1.682 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001578604247 1171960712 /nfs/dbraw/zinc/96/07/12/1171960712.db2.gz FVIDSGWAAHXBHY-SNVBAGLBSA-N 1 0 297.742 1.611 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001579500114 1172199168 /nfs/dbraw/zinc/19/91/68/1172199168.db2.gz SLVBISUAJDWZHB-LDYMZIIASA-N 1 0 278.312 1.246 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)OC1C[NH2+]C1)CC2 ZINC001579643073 1172232885 /nfs/dbraw/zinc/23/28/85/1172232885.db2.gz KCEAHNOZMWBRDR-UHFFFAOYSA-N 1 0 277.280 1.374 20 5 CDBDRO Nc1c(Cl)cc(C(=O)NC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC001580432372 1172432937 /nfs/dbraw/zinc/43/29/37/1172432937.db2.gz NIMWWAKZTMVPRW-SECBINFHSA-N 1 0 298.730 1.298 20 5 CDBDRO Nc1ccc(NC(=O)CCC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC001580448285 1172439066 /nfs/dbraw/zinc/43/90/66/1172439066.db2.gz ZZBUSZNKXVJNDQ-UHFFFAOYSA-N 1 0 290.323 1.648 20 5 CDBDRO O=C(NC[C@@H]1CC[NH2+]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001580661784 1172505368 /nfs/dbraw/zinc/50/53/68/1172505368.db2.gz UUXMZZWKYGNXSW-VIFPVBQESA-N 1 0 286.291 1.235 20 5 CDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC001580833933 1172551484 /nfs/dbraw/zinc/55/14/84/1172551484.db2.gz WPKQBKZOLHMYEP-VHSXEESVSA-N 1 0 293.327 1.065 20 5 CDBDRO CC[N@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001590717118 1173497164 /nfs/dbraw/zinc/49/71/64/1173497164.db2.gz NFYSCUKUFKAOGR-UHFFFAOYSA-N 1 0 288.311 1.759 20 5 CDBDRO Cc1nn(C)cc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000157710466 1178207699 /nfs/dbraw/zinc/20/76/99/1178207699.db2.gz SYTYHOCEVUOBQW-AWEZNQCLSA-N 1 0 290.323 1.460 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC(C)(C)[NH3+] ZINC000405912649 1186582065 /nfs/dbraw/zinc/58/20/65/1186582065.db2.gz VWCPYFNXYVQWKA-UHFFFAOYSA-N 1 0 265.313 1.760 20 5 CDBDRO CC(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001017543410 728958042 /nfs/dbraw/zinc/95/80/42/728958042.db2.gz BLDPXZPVMBKMSW-XJFOESAGSA-N 1 0 295.383 1.373 20 5 CDBDRO CC[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839198568 728828259 /nfs/dbraw/zinc/82/82/59/728828259.db2.gz QGWCKJVEKZEBFF-RDBSUJKOSA-N 1 0 280.324 1.785 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H](O)C2)cc1 ZINC000776270205 728835895 /nfs/dbraw/zinc/83/58/95/728835895.db2.gz APKJHXDAGFOXLL-STQMWFEESA-N 1 0 266.297 1.085 20 5 CDBDRO CC[N@H+](CCCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776589108 728892179 /nfs/dbraw/zinc/89/21/79/728892179.db2.gz PKTNRYYZQWIWSQ-CYBMUJFWSA-N 1 0 268.313 1.333 20 5 CDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C[NH+]1CCCC1 ZINC000822756939 728901097 /nfs/dbraw/zinc/90/10/97/728901097.db2.gz KPLYFLYBSKIAGR-UHFFFAOYSA-N 1 0 291.351 1.692 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000884242633 729193091 /nfs/dbraw/zinc/19/30/91/729193091.db2.gz CVCYPNOOKLQPEV-UHFFFAOYSA-N 1 0 265.313 1.503 20 5 CDBDRO C[C@H](CNc1nc2ccccn2c1[N+](=O)[O-])C[NH+](C)C ZINC000813615198 728439587 /nfs/dbraw/zinc/43/95/87/728439587.db2.gz OOZRKMMYGONEFV-SNVBAGLBSA-N 1 0 277.328 1.852 20 5 CDBDRO C[NH+](C)C[C@H](O)CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000788833813 728443056 /nfs/dbraw/zinc/44/30/56/728443056.db2.gz FRVYAPNSPVJNGH-LLVKDONJSA-N 1 0 290.323 1.477 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)C[C@H](C)[NH3+] ZINC000310910299 728443558 /nfs/dbraw/zinc/44/35/58/728443558.db2.gz OWGOFTIUQMVXBI-VIFPVBQESA-N 1 0 251.286 1.322 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000843480404 728498639 /nfs/dbraw/zinc/49/86/39/728498639.db2.gz WTUXEZUVWCDVSN-JRKPZEMJSA-N 1 0 292.339 1.293 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000128578623 728509884 /nfs/dbraw/zinc/50/98/84/728509884.db2.gz ZGFGSXVDVPEYGW-NOZJJQNGSA-N 1 0 299.758 1.796 20 5 CDBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000715568955 728540553 /nfs/dbraw/zinc/54/05/53/728540553.db2.gz DFSOTUCFQLNXMV-ZJUUUORDSA-N 1 0 279.344 1.857 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@]1(O)CCO[C@@H]1C ZINC000873116526 728564991 /nfs/dbraw/zinc/56/49/91/728564991.db2.gz IUJHKASXMAYCDY-DOMZBBRYSA-N 1 0 294.351 1.841 20 5 CDBDRO CC(C)[C@@H]1C[NH2+]CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923398964 728585598 /nfs/dbraw/zinc/58/55/98/728585598.db2.gz MVXAEXWZFKUDLQ-LSDHHAIUSA-N 1 0 293.367 1.558 20 5 CDBDRO O=[N+]([O-])CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000931747089 729022715 /nfs/dbraw/zinc/02/27/15/729022715.db2.gz KOQXCOQNWONACQ-JKSUJKDBSA-N 1 0 289.379 1.717 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH3+])C2)c1C ZINC000884008401 729065237 /nfs/dbraw/zinc/06/52/37/729065237.db2.gz OCEOHSKNADWYRO-SNVBAGLBSA-N 1 0 263.297 1.385 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000872141980 729091643 /nfs/dbraw/zinc/09/16/43/729091643.db2.gz DNINRWUEPFLVMS-OASPWFOLSA-N 1 0 266.297 1.395 20 5 CDBDRO [NH3+]CC1(Cc2nc(Cc3ccc([N+](=O)[O-])cn3)no2)CC1 ZINC000822863420 729093166 /nfs/dbraw/zinc/09/31/66/729093166.db2.gz RVNMZSHVMRNHPG-UHFFFAOYSA-N 1 0 289.295 1.245 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000886302792 729095851 /nfs/dbraw/zinc/09/58/51/729095851.db2.gz WPBRYEWOTVTJKV-MVWJERBFSA-N 1 0 263.297 1.335 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822235324 729127484 /nfs/dbraw/zinc/12/74/84/729127484.db2.gz CNPNFRXMEABLKE-LLVKDONJSA-N 1 0 271.361 1.422 20 5 CDBDRO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886280812 729159055 /nfs/dbraw/zinc/15/90/55/729159055.db2.gz LSHXKCHAOFUGGY-GXSJLCMTSA-N 1 0 251.286 1.335 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923412687 729201841 /nfs/dbraw/zinc/20/18/41/729201841.db2.gz KVDXPGRWKUIUFE-SCRDCRAPSA-N 1 0 277.324 1.064 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CC[C@@H](CO)CC2)cc1 ZINC000843080733 729267639 /nfs/dbraw/zinc/26/76/39/729267639.db2.gz ZYMJTOKEIHVCGL-OSAQELSMSA-N 1 0 294.351 1.769 20 5 CDBDRO [NH3+]CCOc1ccc(NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000844222758 729278027 /nfs/dbraw/zinc/27/80/27/729278027.db2.gz LANUKKXPEGQNDA-UHFFFAOYSA-N 1 0 291.311 1.241 20 5 CDBDRO [NH2+]=C(NCCc1cccc([N+](=O)[O-])c1)NCC1CC1 ZINC000887356585 729279483 /nfs/dbraw/zinc/27/94/83/729279483.db2.gz ITYQMDAMXCOWRI-UHFFFAOYSA-N 1 0 262.313 1.661 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2cscn2)c1 ZINC000819164513 729336997 /nfs/dbraw/zinc/33/69/97/729336997.db2.gz RZSNGEIXYGKJRN-ZDUSSCGKSA-N 1 0 293.348 1.917 20 5 CDBDRO CC(C)[C@H]([NH3+])CCN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923296384 729374633 /nfs/dbraw/zinc/37/46/33/729374633.db2.gz GWAXZXKZOZZAEP-HUUCEWRRSA-N 1 0 295.383 1.933 20 5 CDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000037644673 729383617 /nfs/dbraw/zinc/38/36/17/729383617.db2.gz OKEPBNWMINDDHC-SNVBAGLBSA-N 1 0 295.314 1.806 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCCC[C@H]2CO)c1 ZINC000847016600 729460982 /nfs/dbraw/zinc/46/09/82/729460982.db2.gz LQNNPKZKMQHJNP-LSDHHAIUSA-N 1 0 294.351 1.865 20 5 CDBDRO CC(C)(CO)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843063909 729555740 /nfs/dbraw/zinc/55/57/40/729555740.db2.gz TXKYLDKGMVFNAH-GFCCVEGCSA-N 1 0 268.313 1.236 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834900307 729617923 /nfs/dbraw/zinc/61/79/23/729617923.db2.gz NSLCASXEIMHCMP-BDAKNGLRSA-N 1 0 280.328 1.352 20 5 CDBDRO CON(C)C(=O)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873145376 729620036 /nfs/dbraw/zinc/62/00/36/729620036.db2.gz KERYUWXKJGEGBZ-JTQLQIEISA-N 1 0 281.312 1.401 20 5 CDBDRO CC(C)(C)OC(=O)NCC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000791052104 729620936 /nfs/dbraw/zinc/62/09/36/729620936.db2.gz LFDXYATXVMIXFQ-UHFFFAOYSA-N 1 0 287.360 1.500 20 5 CDBDRO O=C1NCCN1CC[NH2+]CC=Cc1ccccc1[N+](=O)[O-] ZINC000886324521 729680553 /nfs/dbraw/zinc/68/05/53/729680553.db2.gz WBHIRVZOEZEYJH-HWKANZROSA-N 1 0 290.323 1.223 20 5 CDBDRO C[N@H+](CCCF)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000887141227 729685006 /nfs/dbraw/zinc/68/50/06/729685006.db2.gz KHVXKQZAOLEKJJ-GFCCVEGCSA-N 1 0 256.277 1.920 20 5 CDBDRO CCc1nn(C)c(N2CCC[C@H](C[NH2+]C)C2)c1[N+](=O)[O-] ZINC000091561318 729719867 /nfs/dbraw/zinc/71/98/67/729719867.db2.gz DMCVJNBHTQJYNI-SNVBAGLBSA-N 1 0 281.360 1.327 20 5 CDBDRO COC(=O)[C@H](C)CN(Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000102652691 729756880 /nfs/dbraw/zinc/75/68/80/729756880.db2.gz VYGBQFDKMSAQRG-SECBINFHSA-N 1 0 282.300 1.022 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)n1 ZINC000858562161 729793811 /nfs/dbraw/zinc/79/38/11/729793811.db2.gz IJTRVGIXOQSFRC-IAZYJMLFSA-N 1 0 262.313 1.294 20 5 CDBDRO CCn1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819367662 729856557 /nfs/dbraw/zinc/85/65/57/729856557.db2.gz CIXSETAFDSTJGM-AWEZNQCLSA-N 1 0 290.323 1.634 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCC[C@H](O)C2)c1 ZINC000843068094 729865698 /nfs/dbraw/zinc/86/56/98/729865698.db2.gz DJDFCQSMYVPWTD-BYCMXARLSA-N 1 0 294.351 1.769 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233084 729890069 /nfs/dbraw/zinc/89/00/69/729890069.db2.gz KPSJEXKLMUHBCK-ZCFIWIBFSA-N 1 0 272.692 1.717 20 5 CDBDRO C[N@H+](CCCCCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000789343710 729913484 /nfs/dbraw/zinc/91/34/84/729913484.db2.gz ZNRWBUNUHDENSM-AWEZNQCLSA-N 1 0 282.340 1.723 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCN(C3CC3)C2)c1 ZINC000818976338 729917269 /nfs/dbraw/zinc/91/72/69/729917269.db2.gz AIUQHGZASQYHOC-SWLSCSKDSA-N 1 0 291.351 1.455 20 5 CDBDRO C[C@H]1COCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776593545 729918484 /nfs/dbraw/zinc/91/84/84/729918484.db2.gz LCGHGHKTAYZGFQ-RISCZKNCSA-N 1 0 280.324 1.597 20 5 CDBDRO [NH3+]CC[C@@H]1CCCCN1Cc1cccnc1[N+](=O)[O-] ZINC000886838386 729923880 /nfs/dbraw/zinc/92/38/80/729923880.db2.gz WPXNRAKZMVNXMC-LBPRGKRZSA-N 1 0 264.329 1.693 20 5 CDBDRO C[C@@H]1COCC[C@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819306932 729955760 /nfs/dbraw/zinc/95/57/60/729955760.db2.gz ZULDKGZSONNDAS-OSAQELSMSA-N 1 0 294.351 1.890 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2(CO)CCC2)cc1 ZINC000717632715 729961076 /nfs/dbraw/zinc/96/10/76/729961076.db2.gz QFZUPVNBQXVXDC-CYBMUJFWSA-N 1 0 280.324 1.380 20 5 CDBDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886121168 729977304 /nfs/dbraw/zinc/97/73/04/729977304.db2.gz WZDCMYHWJNFSSU-ZJUUUORDSA-N 1 0 251.286 1.193 20 5 CDBDRO Cn1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)n1 ZINC000809734895 730001770 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COC(=O)[C@@H]1C[C@H]1C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220832 912307052 /nfs/dbraw/zinc/30/70/52/912307052.db2.gz HEWBFVQULGYANU-SCDSUCTJSA-N 1 0 292.335 1.925 20 5 CDBDRO CC[N@H+](CCC(N)=O)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226339 912322018 /nfs/dbraw/zinc/32/20/18/912322018.db2.gz INFRJZPYXRESAO-NSHDSACASA-N 1 0 279.340 1.723 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001173238325 912366784 /nfs/dbraw/zinc/36/67/84/912366784.db2.gz PJOXEHOHIPRHBU-IUODEOHRSA-N 1 0 275.352 1.916 20 5 CDBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](C)C1 ZINC001167280878 895051852 /nfs/dbraw/zinc/05/18/52/895051852.db2.gz GQWWMIXRJCSVAI-JTQLQIEISA-N 1 0 293.323 1.806 20 5 CDBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)NC(C)(C)C ZINC000049948330 895418822 /nfs/dbraw/zinc/41/88/22/895418822.db2.gz LZJOVFYPPUXABN-JTQLQIEISA-N 1 0 279.340 1.988 20 5 CDBDRO N=C(Nc1ccc2nc[nH]c2c1[N+](=O)[O-])SCC[NH3+] ZINC001167912946 897135262 /nfs/dbraw/zinc/13/52/62/897135262.db2.gz UEUNIXRLLOWMAJ-UHFFFAOYSA-N 1 0 280.313 1.510 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2COC[C@@H]2C)cc1[N+](=O)[O-] ZINC000699804834 914289669 /nfs/dbraw/zinc/28/96/69/914289669.db2.gz JHBDXMBENOUZIK-GXSJLCMTSA-N 1 0 266.297 1.728 20 5 CDBDRO COC(=O)[C@@H]1CCC[C@@H](OCCC[N+](C)(C)C)C1 ZINC001224623378 909985953 /nfs/dbraw/zinc/98/59/53/909985953.db2.gz NCIWQVWMKPMTCV-CHWSQXEVSA-N 1 0 258.382 1.831 20 5 CDBDRO N[C@@H]1C[C@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908863 912037813 /nfs/dbraw/zinc/03/78/13/912037813.db2.gz ATIMVXJUIFWRBC-IACUBPJLSA-N 1 0 261.325 1.531 20 5 CDBDRO COc1cc(C)c([N+](=O)[O-])cc1-n1ccnc1C(N)=[NH2+] ZINC001168418159 912176736 /nfs/dbraw/zinc/17/67/36/912176736.db2.gz VNRLBYCSRMGVPW-UHFFFAOYSA-N 1 0 275.268 1.382 20 5 CDBDRO CCS(=O)(=O)CC[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000233821047 915049409 /nfs/dbraw/zinc/04/94/09/915049409.db2.gz NGGAKTZDOMMVHF-UHFFFAOYSA-N 1 0 286.353 1.162 20 5 CDBDRO C[NH+](C)CC(C)(C)CNc1ccc([N+](=O)[O-])c(N)n1 ZINC000094261226 915729577 /nfs/dbraw/zinc/72/95/77/915729577.db2.gz CLLJENJYJDKQHE-UHFFFAOYSA-N 1 0 267.333 1.572 20 5 CDBDRO [NH3+]CC[C@H]1CN(c2cnc([N+](=O)[O-])cn2)c2ccccc21 ZINC001168550457 919061708 /nfs/dbraw/zinc/06/17/08/919061708.db2.gz UGAYPTGEZGLFEX-JTQLQIEISA-N 1 0 285.307 1.969 20 5 CDBDRO CCC1(Nc2ncnc3[nH]cc([N+](=O)[O-])c32)C[NH2+]C1 ZINC001168580413 919270662 /nfs/dbraw/zinc/27/06/62/919270662.db2.gz JIAFTCGZIGODHG-UHFFFAOYSA-N 1 0 262.273 1.030 20 5 CDBDRO CC(C)(C)[NH+]1CC(Nc2cc([N+](=O)[O-])ccn2)C1 ZINC001162219780 922075893 /nfs/dbraw/zinc/07/58/93/922075893.db2.gz DFXHVOVVLBKCGQ-UHFFFAOYSA-N 1 0 250.302 1.884 20 5 CDBDRO C[C@@]1([NH3+])C[C@H](Nc2cc(Cl)ncc2[N+](=O)[O-])C1 ZINC001162325047 922297713 /nfs/dbraw/zinc/29/77/13/922297713.db2.gz NJPTYPBGRHIVDG-XGAOUMNUSA-N 1 0 256.693 1.935 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702056251 922464057 /nfs/dbraw/zinc/46/40/57/922464057.db2.gz RJZOGGZKVOKNMK-LURJTMIESA-N 1 0 257.677 1.325 20 5 CDBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)NC1C[NH2+]C1 ZINC000841010541 936971269 /nfs/dbraw/zinc/97/12/69/936971269.db2.gz FVUDXUMGSRJVGS-UHFFFAOYSA-N 1 0 270.676 1.342 20 5 CDBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])n[nH]1)[NH+]1[C@H](C)CC[C@H]1C ZINC001155037607 926438445 /nfs/dbraw/zinc/43/84/45/926438445.db2.gz GEMJISHNYPBCHM-HLTSFMKQSA-N 1 0 281.316 1.518 20 5 CDBDRO Cc1cc(Cl)nc(N2CC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001156228881 927493559 /nfs/dbraw/zinc/49/35/59/927493559.db2.gz PIRQCSWDBHAAJM-SSDOTTSWSA-N 1 0 256.693 1.489 20 5 CDBDRO COC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168976329 927562892 /nfs/dbraw/zinc/56/28/92/927562892.db2.gz CUBVCLZXQSELHT-DCAQKATOSA-N 1 0 256.302 1.069 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)nn2)C1 ZINC001168977763 927563007 /nfs/dbraw/zinc/56/30/07/927563007.db2.gz LRPWDCLFMFUPFO-DTWKUNHWSA-N 1 0 270.720 1.665 20 5 CDBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cnccn1 ZINC001168978135 927564769 /nfs/dbraw/zinc/56/47/69/927564769.db2.gz OTGXRDPZLOWDEU-AXFHLTTASA-N 1 0 250.302 1.573 20 5 CDBDRO COc1cncc(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168978858 927565213 /nfs/dbraw/zinc/56/52/13/927565213.db2.gz UYVQFIYRXQWVGL-STQMWFEESA-N 1 0 279.340 1.668 20 5 CDBDRO CCOC(=O)[C@@H](N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H](C)CC ZINC001168978342 927565762 /nfs/dbraw/zinc/56/57/62/927565762.db2.gz RFJIARQKNWRUEU-LOWDOPEQSA-N 1 0 286.372 1.999 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](CO)c2ccccc2)C1 ZINC001168956840 927577053 /nfs/dbraw/zinc/57/70/53/927577053.db2.gz FZLBFGDTJOZLSB-MRVWCRGKSA-N 1 0 264.325 1.755 20 5 CDBDRO CC(C)(C)OC(=O)N1CC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168960588 927580284 /nfs/dbraw/zinc/58/02/84/927580284.db2.gz FOXFQPYCSXJBCS-QWRGUYRKSA-N 1 0 299.371 1.641 20 5 CDBDRO COc1ncnc(OC)c1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168975276 927598691 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20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H](N2CC[NH+](C3CCCC3)CC2)C1 ZINC001169028375 927634482 /nfs/dbraw/zinc/63/44/82/927634482.db2.gz RWDAKZXGZCZNDM-ZFWWWQNUSA-N 1 0 281.400 1.992 20 5 CDBDRO CC1(C)CN(C2C[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)CCO1 ZINC001169032997 927638251 /nfs/dbraw/zinc/63/82/51/927638251.db2.gz AWPBIMDZOQWGEX-OLZOCXBDSA-N 1 0 297.399 1.227 20 5 CDBDRO CC(C)[C@@H]1COCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169033294 927641129 /nfs/dbraw/zinc/64/11/29/927641129.db2.gz BSDNSWHOFIBNET-XQQFMLRXSA-N 1 0 256.346 1.789 20 5 CDBDRO Cn1ncc2c1C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169035500 927643358 /nfs/dbraw/zinc/64/33/58/927643358.db2.gz BOEFXKKMPCCNDV-JQWIXIFHSA-N 1 0 264.329 1.224 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](n2ccnc2[C@@H]2CCC[NH2+]C2)C1 ZINC001169036007 927645039 /nfs/dbraw/zinc/64/50/39/927645039.db2.gz FAJRFFBOEVWIDS-UPJWGTAASA-N 1 0 278.356 1.968 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCc3ncncc3C2)C1 ZINC001169038282 927649244 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292.339 1.375 20 5 CDBDRO O=C1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]2CCCN12 ZINC001169052061 927670042 /nfs/dbraw/zinc/67/00/42/927670042.db2.gz FUMSUGLWXODJOD-UPJWGTAASA-N 1 0 281.356 1.129 20 5 CDBDRO CCN(C(C)=O)C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169057970 927674845 /nfs/dbraw/zinc/67/48/45/927674845.db2.gz ZPSPWISZBQGDPZ-ZFWWWQNUSA-N 1 0 297.399 1.765 20 5 CDBDRO COC(=O)[C@H](C)C[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579242 927754296 /nfs/dbraw/zinc/75/42/96/927754296.db2.gz KGBNIQBQIZFRTI-MFKMUULPSA-N 1 0 296.323 1.369 20 5 CDBDRO [NH3+]Cc1cccc2c1cnn2-c1ccc([N+](=O)[O-])cn1 ZINC001169194544 927804120 /nfs/dbraw/zinc/80/41/20/927804120.db2.gz IYMYBCIIBXGQHZ-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO C[NH+](C)C1(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000854495743 928219355 /nfs/dbraw/zinc/21/93/55/928219355.db2.gz SQQWPLFEHWVGDE-UHFFFAOYSA-N 1 0 278.312 1.600 20 5 CDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CC[C@H]1C2 ZINC000854730428 928273877 /nfs/dbraw/zinc/27/38/77/928273877.db2.gz KSLDPPJLMXZGGQ-XSHSDMCLSA-N 1 0 287.319 1.525 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000782632414 937257320 /nfs/dbraw/zinc/25/73/20/937257320.db2.gz KIFYXDSBALHJSK-GXTWGEPZSA-N 1 0 262.309 1.452 20 5 CDBDRO CC1(Nc2nc(Cl)ncc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001157396636 929620213 /nfs/dbraw/zinc/62/02/13/929620213.db2.gz BNSCTHLQAXTHEU-UHFFFAOYSA-N 1 0 271.708 1.592 20 5 CDBDRO Cc1cc(F)cc(C(=O)NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000130693960 930119193 /nfs/dbraw/zinc/11/91/93/930119193.db2.gz MNHZWJOXJHDJAE-UHFFFAOYSA-N 1 0 269.276 1.334 20 5 CDBDRO CC[NH+](CC)CCCOC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000800192602 930423367 /nfs/dbraw/zinc/42/33/67/930423367.db2.gz FEWJUUAOGJLBJZ-UHFFFAOYSA-N 1 0 296.327 1.461 20 5 CDBDRO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000886116973 930808203 /nfs/dbraw/zinc/80/82/03/930808203.db2.gz WIRPIBVFJFCPOZ-YPMHNXCESA-N 1 0 279.340 1.973 20 5 CDBDRO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886147001 930814686 /nfs/dbraw/zinc/81/46/86/930814686.db2.gz HLENJUXFHFEODW-BXUZGUMPSA-N 1 0 279.340 1.973 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](CO)C[C@H]1CCCO1 ZINC000886229075 930832213 /nfs/dbraw/zinc/83/22/13/930832213.db2.gz KUSFWESHZZESKQ-CHWSQXEVSA-N 1 0 280.324 1.614 20 5 CDBDRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000823615187 931331111 /nfs/dbraw/zinc/33/11/11/931331111.db2.gz DRJVFMFDZPISST-LEWSCRJBSA-N 1 0 291.351 1.765 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCOC[C@@H]2C[NH+](C)C)n1 ZINC001154978538 937615472 /nfs/dbraw/zinc/61/54/72/937615472.db2.gz SMYLSMOZCSNPKH-LBPRGKRZSA-N 1 0 294.355 1.373 20 5 CDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000931040156 933495899 /nfs/dbraw/zinc/49/58/99/933495899.db2.gz ASWXDTIFBLROJG-SWLSCSKDSA-N 1 0 293.367 1.998 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH+]2CCC1CC2 ZINC001120795870 937836523 /nfs/dbraw/zinc/83/65/23/937836523.db2.gz GFFAZPIQSMZFEN-CYBMUJFWSA-N 1 0 289.335 1.348 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1NCC[C@H]1CCC[NH2+]1 ZINC000401280078 937855222 /nfs/dbraw/zinc/85/52/22/937855222.db2.gz XYUULAZDWROSJQ-SECBINFHSA-N 1 0 254.265 1.683 20 5 CDBDRO O=C(NCC[C@@H]1CSCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001122084143 937904484 /nfs/dbraw/zinc/90/44/84/937904484.db2.gz WWSNOOSUIHAQCQ-SNVBAGLBSA-N 1 0 295.364 1.420 20 5 CDBDRO [NH3+]CCc1nccn1-c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001156477915 938372696 /nfs/dbraw/zinc/37/26/96/938372696.db2.gz SPGWRGXBSWSWHW-UHFFFAOYSA-N 1 0 267.676 1.330 20 5 CDBDRO COc1cc(N[C@H]2CC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC001156580846 938388690 /nfs/dbraw/zinc/38/86/90/938388690.db2.gz WROPXWHYUAZBEP-QMMMGPOBSA-N 1 0 252.274 1.114 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[N@@H+](C)CC1(C)C ZINC001156591040 938390396 /nfs/dbraw/zinc/39/03/96/938390396.db2.gz RYGFWHZOXFEXCE-GFCCVEGCSA-N 1 0 291.351 1.973 20 5 CDBDRO C[C@H]1CCCC[N@@H+]1CCCNc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001156927514 938435169 /nfs/dbraw/zinc/43/51/69/938435169.db2.gz ARMFXAKWCTUBCD-LBPRGKRZSA-N 1 0 294.355 1.905 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@H]([NH3+])[C@@H]2C)n1 ZINC001157742094 938538974 /nfs/dbraw/zinc/53/89/74/938538974.db2.gz PGSWNNWCLAAATJ-IUCAKERBSA-N 1 0 281.316 1.018 20 5 CDBDRO Cc1nc(N2CCC[C@@H]([NH3+])[C@H]2C)ncc1[N+](=O)[O-] ZINC001157748608 938540425 /nfs/dbraw/zinc/54/04/25/938540425.db2.gz VXYDZJYTVXWQAY-RKDXNWHRSA-N 1 0 251.290 1.009 20 5 CDBDRO C[C@H]([NH3+])c1ccn(-c2cc([N+](=O)[O-])cc(Cl)n2)n1 ZINC001158344892 938611177 /nfs/dbraw/zinc/61/11/77/938611177.db2.gz JAAZQVHRTBGOMV-LURJTMIESA-N 1 0 267.676 1.849 20 5 CDBDRO [NH3+]Cc1ccn(-c2cc(Cl)ncc2[N+](=O)[O-])c1 ZINC001158763820 938661300 /nfs/dbraw/zinc/66/13/00/938661300.db2.gz HXEDXUHLIRZQOT-UHFFFAOYSA-N 1 0 252.661 1.893 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1cc(C)c2cc([N+](=O)[O-])ccc2n1 ZINC001159744204 938748996 /nfs/dbraw/zinc/74/89/96/938748996.db2.gz SAKUTUVACUNDCA-AWEZNQCLSA-N 1 0 290.323 1.921 20 5 CDBDRO C[C@@H]([NH3+])CCNc1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001159774522 938751506 /nfs/dbraw/zinc/75/15/06/938751506.db2.gz ASQVEKBRWPFNOS-SCSAIBSYSA-N 1 0 280.115 1.841 20 5 CDBDRO [NH3+]Cc1ccc2cn(-c3cc([N+](=O)[O-])ccn3)nc2c1 ZINC001160139444 938770606 /nfs/dbraw/zinc/77/06/06/938770606.db2.gz SPWAIGGARCLDSK-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO Cc1cnc(N[C@]2(C[NH3+])CN3CCC2CC3)c([N+](=O)[O-])c1 ZINC001160507805 938791660 /nfs/dbraw/zinc/79/16/60/938791660.db2.gz BBYVTJLEEXNKKY-CQSZACIVSA-N 1 0 291.355 1.133 20 5 CDBDRO COc1cc(N[C@H]2C[C@@](C)([NH3+])C2)ncc1[N+](=O)[O-] ZINC001162328353 939024654 /nfs/dbraw/zinc/02/46/54/939024654.db2.gz PEDQWWVIFQMHDW-DGFRNANFSA-N 1 0 252.274 1.290 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001162396764 939044441 /nfs/dbraw/zinc/04/44/41/939044441.db2.gz NLHYYANFXVJEOM-RKDXNWHRSA-N 1 0 266.301 1.680 20 5 CDBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001162457829 939060547 /nfs/dbraw/zinc/06/05/47/939060547.db2.gz ROMYHLDUQNYABI-GHMZBOCLSA-N 1 0 280.328 1.276 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1NC[C@H]1C[NH2+][C@H](C)C1 ZINC001162553187 939086124 /nfs/dbraw/zinc/08/61/24/939086124.db2.gz XPBJLULJTBDZDL-RKDXNWHRSA-N 1 0 265.317 1.441 20 5 CDBDRO O=[N+]([O-])c1ncccc1NC[C@]1(F)CCCC[NH2+]C1 ZINC001162579273 939091796 /nfs/dbraw/zinc/09/17/96/939091796.db2.gz AUGOOHKRZMUANH-LBPRGKRZSA-N 1 0 268.292 1.884 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)n1 ZINC001162791643 939140972 /nfs/dbraw/zinc/14/09/72/939140972.db2.gz CWRITEYNTMUPMK-UJNFCWOMSA-N 1 0 280.715 1.829 20 5 CDBDRO Cc1c(F)cnc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c1[N+](=O)[O-] ZINC001163094776 939198236 /nfs/dbraw/zinc/19/82/36/939198236.db2.gz QSGXWAKEIQDSND-FXPVBKGRSA-N 1 0 296.302 1.084 20 5 CDBDRO O=[N+]([O-])c1ncccc1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163323954 939247177 /nfs/dbraw/zinc/24/71/77/939247177.db2.gz QHPZFIZYRDLDCN-GWCFXTLKSA-N 1 0 278.312 1.313 20 5 CDBDRO [NH3+]C1(CNc2cnc3ccc([N+](=O)[O-])cc3n2)CCC1 ZINC001163321639 939247197 /nfs/dbraw/zinc/24/71/97/939247197.db2.gz XBLUNSGTBURRLB-UHFFFAOYSA-N 1 0 273.296 1.831 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001164061804 939402338 /nfs/dbraw/zinc/40/23/38/939402338.db2.gz HMAHMLCDGZGRNS-GXSJLCMTSA-N 1 0 264.329 1.862 20 5 CDBDRO C[C@H]1CC[C@H](C[NH3+])CN1c1ncc([N+](=O)[O-])cc1F ZINC001164463219 939475927 /nfs/dbraw/zinc/47/59/27/939475927.db2.gz YDCBCSJTZCLRKN-DTWKUNHWSA-N 1 0 268.292 1.693 20 5 CDBDRO C[C@@H]1CC[C@H](C[NH3+])CN1c1cccc([N+](=O)[O-])n1 ZINC001164463178 939476029 /nfs/dbraw/zinc/47/60/29/939476029.db2.gz XQTAMXGHZSCCQW-NXEZZACHSA-N 1 0 250.302 1.553 20 5 CDBDRO C[NH+](C)C[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1N ZINC001165076354 939507658 /nfs/dbraw/zinc/50/76/58/939507658.db2.gz HXEICDNBYAHNIW-VIFPVBQESA-N 1 0 265.317 1.102 20 5 CDBDRO CN(CC[NH+]1CCCC1)c1ncc([N+](=O)[O-])cc1N ZINC001165142198 939516613 /nfs/dbraw/zinc/51/66/13/939516613.db2.gz RAJPNPLFWJLPIR-UHFFFAOYSA-N 1 0 265.317 1.104 20 5 CDBDRO Cc1ccnc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)c1[N+](=O)[O-] ZINC001165152795 939520220 /nfs/dbraw/zinc/52/02/20/939520220.db2.gz ZJNRCXKVIPXXHM-QWRGUYRKSA-N 1 0 262.313 1.296 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(N2CCOCC23C[NH2+]C3)nc1Cl ZINC001165286951 939540790 /nfs/dbraw/zinc/54/07/90/939540790.db2.gz WJPBPSZLJHJTEH-UHFFFAOYSA-N 1 0 298.730 1.130 20 5 CDBDRO CCOc1nc(N2CC[C@H]3C[C@@]3([NH3+])C2)ccc1[N+](=O)[O-] ZINC001165326364 939545722 /nfs/dbraw/zinc/54/57/22/939545722.db2.gz GXCNJHUYSAGICJ-TVQRCGJNSA-N 1 0 278.312 1.316 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001165388698 939556815 /nfs/dbraw/zinc/55/68/15/939556815.db2.gz CTPYEDDLCOMBHZ-APPZFPTMSA-N 1 0 268.704 1.584 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CCC[C@H]4[NH2+]C[C@@H]43)nc21 ZINC001165391108 939557271 /nfs/dbraw/zinc/55/72/71/939557271.db2.gz GLFSBFJOTYOVLR-SCZZXKLOSA-N 1 0 273.296 1.412 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001165393424 939557801 /nfs/dbraw/zinc/55/78/01/939557801.db2.gz SVIHSWCSEIJOGM-WCQYABFASA-N 1 0 285.307 1.479 20 5 CDBDRO CC(C)[NH+]1CCC(CNc2c[n+]([O-])ccc2[N+](=O)[O-])CC1 ZINC001166615291 939619741 /nfs/dbraw/zinc/61/97/41/939619741.db2.gz CDLUYTWOWGKNLH-UHFFFAOYSA-N 1 0 294.355 1.761 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@](C)([NH3+])C1 ZINC000405845779 940998104 /nfs/dbraw/zinc/99/81/04/940998104.db2.gz VFAXVJAHEAFJFR-CYBMUJFWSA-N 1 0 263.297 1.467 20 5 CDBDRO N[C@@H](CC[NH3+])C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218980091 941296425 /nfs/dbraw/zinc/29/64/25/941296425.db2.gz RUNKJPCGFOICKK-LBPRGKRZSA-N 1 0 295.346 1.398 20 5 CDBDRO COC(=O)c1ncccc1CO[C@@H](C)C[N+](C)(C)C ZINC001222747770 941631024 /nfs/dbraw/zinc/63/10/24/941631024.db2.gz ZQDJXVFKDIXCHW-NSHDSACASA-N 1 0 267.349 1.480 20 5 CDBDRO C[C@@H](OC(=O)C[C@@H](O)C[N+](C)(C)C)c1ccccn1 ZINC001223999317 941713414 /nfs/dbraw/zinc/71/34/14/941713414.db2.gz RWLNJTOBTIATKZ-VXGBXAGGSA-N 1 0 267.349 1.143 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCc1ncnn1Cc1ccccc1 ZINC001224154227 941724715 /nfs/dbraw/zinc/72/47/15/941724715.db2.gz NEIFRQXKUFRIJU-AWEZNQCLSA-N 1 0 289.403 1.938 20 5 CDBDRO C[N+](C)(C)CCCO[C@@H]1[C@H]2C[C@H]3C(=O)O[C@@H]1[C@H]3C2 ZINC001224618203 941776806 /nfs/dbraw/zinc/77/68/06/941776806.db2.gz DNJNSJGEHIAXEZ-NZEXEKPDSA-N 1 0 254.350 1.049 20 5 CDBDRO CCOC(=O)[C@H]1CCC[C@@H](OCC[N+](C)(C)C)C1 ZINC001224776553 941790332 /nfs/dbraw/zinc/79/03/32/941790332.db2.gz XSHIVTNXDWMMDO-QWHCGFSZSA-N 1 0 258.382 1.831 20 5 CDBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1[nH]ccc(=O)c1[N+](=O)[O-] ZINC001225664676 941896343 /nfs/dbraw/zinc/89/63/43/941896343.db2.gz RFJMHXGPAWCTCS-DDFAGTSDSA-N 1 0 293.323 1.805 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1nc(=O)[nH]c2c1CCC2 ZINC001226341974 941990878 /nfs/dbraw/zinc/99/08/78/941990878.db2.gz LDUICSXTXYMBPY-SECBINFHSA-O 1 0 252.338 1.144 20 5 CDBDRO COc1cc(O[C@@H](C)C[N+](C)(C)C)ncc1[N+](=O)[O-] ZINC001226580941 942030275 /nfs/dbraw/zinc/03/02/75/942030275.db2.gz HHYIXXBOFXGRFP-VIFPVBQESA-N 1 0 270.309 1.472 20 5 CDBDRO CN1CCO[C@@H](COc2cc(Cl)c([N+](=O)[O-])cn2)C1 ZINC001226914975 942093578 /nfs/dbraw/zinc/09/35/78/942093578.db2.gz CMWFADRJJJAEJY-MRVPVSSYSA-N 1 0 287.703 1.353 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](Oc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227112029 942136297 /nfs/dbraw/zinc/13/62/97/942136297.db2.gz VVMOPOVKTNLWIF-SNVBAGLBSA-N 1 0 296.283 1.761 20 5 CDBDRO COC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)cn1 ZINC001227736807 942215246 /nfs/dbraw/zinc/21/52/46/942215246.db2.gz ANSCRYVKAXNHBT-SNVBAGLBSA-N 1 0 253.322 1.342 20 5 CDBDRO C[N@@H+]1CC[C@H](Oc2cc([N+](=O)[O-])cc(F)c2F)C1 ZINC001228016215 942258506 /nfs/dbraw/zinc/25/85/06/942258506.db2.gz KMZVIUXLEWZHIS-QMMMGPOBSA-N 1 0 258.224 1.956 20 5 CDBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nc[nH]c(=O)c1[N+](=O)[O-])C2 ZINC001228143336 942275335 /nfs/dbraw/zinc/27/53/35/942275335.db2.gz KYNLUGITARMESF-BRPSZJMVSA-N 1 0 280.284 1.094 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1C(=O)N(C)C ZINC001228341218 942302266 /nfs/dbraw/zinc/30/22/66/942302266.db2.gz CBZPJIIYWDPXEK-GFCCVEGCSA-N 1 0 265.377 1.862 20 5 CDBDRO COC(=O)c1c(O[C@H](C)C[N+](C)(C)C)cccc1[N+](=O)[O-] ZINC001229049768 942411877 /nfs/dbraw/zinc/41/18/77/942411877.db2.gz KPAKRQCHARFATI-SNVBAGLBSA-N 1 0 297.331 1.855 20 5 CDBDRO CC[N@@H+]1CCC[C@H](Oc2cc[n+]([O-])cc2[N+](=O)[O-])C1 ZINC001229451471 942475629 /nfs/dbraw/zinc/47/56/29/942475629.db2.gz GBSZOHBVNSQTEG-JTQLQIEISA-N 1 0 267.285 1.091 20 5 CDBDRO C[N@@H+]1CC[C@H](Oc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC001230312818 942604821 /nfs/dbraw/zinc/60/48/21/942604821.db2.gz LVQKDYXABIUWSW-QMMMGPOBSA-N 1 0 267.241 1.586 20 5 CDBDRO C[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c(F)c2F)C1 ZINC001233764154 943652117 /nfs/dbraw/zinc/65/21/17/943652117.db2.gz YQUNJDCTRBXGLZ-ZETCQYMHSA-N 1 0 258.224 1.956 20 5 CDBDRO COc1ccc(NC(=O)C2=CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001263111163 943751923 /nfs/dbraw/zinc/75/19/23/943751923.db2.gz ULAWDPTYVLILKQ-UHFFFAOYSA-N 1 0 291.307 1.852 20 5 CDBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1(CO)CC1 ZINC001262577671 946729184 /nfs/dbraw/zinc/72/91/84/946729184.db2.gz VKLQCHQHLGWPRZ-MFKMUULPSA-N 1 0 280.324 1.379 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC(=O)NC1 ZINC001254540770 947518252 /nfs/dbraw/zinc/51/82/52/947518252.db2.gz WFDMBWPGABLYNO-DGCLKSJQSA-N 1 0 291.351 1.784 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC(=O)N(C)CC1 ZINC001254561654 947524413 /nfs/dbraw/zinc/52/44/13/947524413.db2.gz HSTRQYLQPBPAOT-LBPRGKRZSA-N 1 0 291.351 1.690 20 5 CDBDRO C[C@H]1OCC[C@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254566140 947527192 /nfs/dbraw/zinc/52/71/92/947527192.db2.gz ICUHCZGFCBZBCI-LJWDBELGSA-N 1 0 262.309 1.829 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCCCO)C2 ZINC001254569513 947530228 /nfs/dbraw/zinc/53/02/28/947530228.db2.gz YYJCZNHUMMSEQF-LBPRGKRZSA-N 1 0 250.298 1.424 20 5 CDBDRO CC(C)N(CC[NH3+])[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254571976 947530579 /nfs/dbraw/zinc/53/05/79/947530579.db2.gz FTPPWEYEQYDDTI-AWEZNQCLSA-N 1 0 263.341 1.731 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cocn1)C2 ZINC001254574716 947532558 /nfs/dbraw/zinc/53/25/58/947532558.db2.gz KKNNZUOAVHAYCJ-NSHDSACASA-N 1 0 259.265 1.840 20 5 CDBDRO Cc1ncc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001254574968 947533088 /nfs/dbraw/zinc/53/30/88/947533088.db2.gz MIQJKWUDRREBCT-AWEZNQCLSA-N 1 0 284.319 1.950 20 5 CDBDRO CC1(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)OCCO1 ZINC001254584389 947540056 /nfs/dbraw/zinc/54/00/56/947540056.db2.gz RQIISAKMXRXTFU-LBPRGKRZSA-N 1 0 278.308 1.415 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccnnc1)C2 ZINC001254585299 947540299 /nfs/dbraw/zinc/54/02/99/947540299.db2.gz VEGVNWMNSNVQOY-CYBMUJFWSA-N 1 0 270.292 1.642 20 5 CDBDRO NC(=O)C1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCCC1 ZINC001254585396 947540400 /nfs/dbraw/zinc/54/04/00/947540400.db2.gz WMPXOVDREWPWDG-GFCCVEGCSA-N 1 0 289.335 1.450 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](O)c1ccncc1)C2 ZINC001254589856 947542227 /nfs/dbraw/zinc/54/22/27/947542227.db2.gz SKAGVJVURHYLNE-GOEBONIOSA-N 1 0 299.330 1.780 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CC3(COC3)C1)C2 ZINC001254599676 947549197 /nfs/dbraw/zinc/54/91/97/947549197.db2.gz OJIYIPIRJMNBHN-ZDUSSCGKSA-N 1 0 260.293 1.394 20 5 CDBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599275 947549477 /nfs/dbraw/zinc/54/94/77/947549477.db2.gz NCJDCVLJGNEGQG-BIGNPOOSSA-N 1 0 262.309 1.517 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CNCCC1=O ZINC001246295641 948089144 /nfs/dbraw/zinc/08/91/44/948089144.db2.gz URCCWINXHHNVQC-GXFFZTMASA-N 1 0 277.324 1.046 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]CC[C@@H]1F ZINC001246478793 948196237 /nfs/dbraw/zinc/19/62/37/948196237.db2.gz BPJBWLQAQLQDCA-DDTOSNHZSA-N 1 0 281.331 1.815 20 5 CDBDRO C[C@@H]1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1[NH3+] ZINC001246570691 948291058 /nfs/dbraw/zinc/29/10/58/948291058.db2.gz SIJJPMYUQDAPTM-KMUNFCNLSA-N 1 0 275.352 1.731 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CCCC[NH2+]2)n1 ZINC001247501562 948651272 /nfs/dbraw/zinc/65/12/72/948651272.db2.gz TXPLCOOGLOHWTQ-QMMMGPOBSA-N 1 0 293.258 1.994 20 5 CDBDRO [NH3+][C@@H](Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)C1CC1 ZINC001249239726 949478520 /nfs/dbraw/zinc/47/85/20/949478520.db2.gz FOANIHOEFDDIQO-QMMMGPOBSA-N 1 0 293.258 1.459 20 5 CDBDRO CS[C@H]1CN(c2c(C)cncc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC001326433606 954380631 /nfs/dbraw/zinc/38/06/31/954380631.db2.gz MALZUWRYRUCYLZ-RYUDHWBXSA-N 1 0 296.396 1.780 20 5 CDBDRO CO[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC001307780095 956440997 /nfs/dbraw/zinc/44/09/97/956440997.db2.gz DNWFKRJTLQZSGM-JQWIXIFHSA-N 1 0 268.317 1.148 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](CNc2c(C)cncc2[N+](=O)[O-])C1 ZINC001321656122 959891586 /nfs/dbraw/zinc/89/15/86/959891586.db2.gz JSLOEUJUQGQVHO-LBPRGKRZSA-N 1 0 278.356 1.864 20 5 CDBDRO CC(C)(C)[NH+]1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC001337565339 961275675 /nfs/dbraw/zinc/27/56/75/961275675.db2.gz WCJSHOWNOJZLAD-UHFFFAOYSA-N 1 0 267.333 1.165 20 5 CDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341777726 963539886 /nfs/dbraw/zinc/53/98/86/963539886.db2.gz LLZAKQGERBLUOB-MEBFFEOJSA-N 1 0 287.319 1.032 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001341874641 963567362 /nfs/dbraw/zinc/56/73/62/963567362.db2.gz XWQOBVIKYYRWLC-SNVBAGLBSA-N 1 0 293.323 1.414 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001342520315 963757757 /nfs/dbraw/zinc/75/77/57/963757757.db2.gz YSQSTHJKYOHTJW-ZJUUUORDSA-N 1 0 265.313 1.628 20 5 CDBDRO C[C@@H](NC(=O)NCCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC001343818752 964149098 /nfs/dbraw/zinc/14/90/98/964149098.db2.gz BUZXRIAKFQGBKJ-LLVKDONJSA-N 1 0 294.355 1.907 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC1([NH3+])CC1 ZINC001345295897 964657281 /nfs/dbraw/zinc/65/72/81/964657281.db2.gz VWHYOEUMRZNMCT-UHFFFAOYSA-N 1 0 277.324 1.741 20 5 CDBDRO C[C@@H]1CCC[C@]1(O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001346237305 965004151 /nfs/dbraw/zinc/00/41/51/965004151.db2.gz OZKGJKKZZIJUGZ-DFBGVHRSSA-N 1 0 294.351 1.769 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2C=CCC2)c1 ZINC001353300259 967872556 /nfs/dbraw/zinc/87/25/56/967872556.db2.gz LSSZOYAJPIFHFE-WCQYABFASA-N 1 0 278.308 1.643 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H]([NH3+])C2)c1 ZINC001356434054 969397192 /nfs/dbraw/zinc/39/71/92/969397192.db2.gz UDGWNEWLWLCLJL-ZKCHVHJHSA-N 1 0 281.337 1.536 20 5 CDBDRO O=C(Nc1cccc(CNCC[N+](=O)[O-])c1)N1CCCC1 ZINC001356569676 969431324 /nfs/dbraw/zinc/43/13/24/969431324.db2.gz IGCDEDCEENPDCT-UHFFFAOYSA-N 1 0 292.339 1.681 20 5 CDBDRO CCc1ccc(C(=O)N2CC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC001358249892 969713341 /nfs/dbraw/zinc/71/33/41/969713341.db2.gz KWBOXDQUNODJDQ-NSHDSACASA-N 1 0 291.351 1.968 20 5 CDBDRO C[C@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)CC[C@H]1C[NH3+] ZINC001576811686 1171529159 /nfs/dbraw/zinc/52/91/59/1171529159.db2.gz IBNVZJNEMMUPPH-UWVGGRQHSA-N 1 0 297.330 1.647 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601006260 342458595 /nfs/dbraw/zinc/45/85/95/342458595.db2.gz SVSSGNGOKRKDFI-VIFPVBQESA-N 1 0 281.287 1.415 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H](O)C2)c1 ZINC000589494223 342507773 /nfs/dbraw/zinc/50/77/73/342507773.db2.gz DRSOTFRIWMFPJB-LBPRGKRZSA-N 1 0 294.307 1.338 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000590404215 342544073 /nfs/dbraw/zinc/54/40/73/342544073.db2.gz XQIPCBKAQUEQAX-ZJUUUORDSA-N 1 0 280.328 1.098 20 5 CDBDRO [NH3+]CC[C@H]1CCCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000070171286 361742064 /nfs/dbraw/zinc/74/20/64/361742064.db2.gz SUWRHNQUBUUUQV-SECBINFHSA-N 1 0 295.368 1.869 20 5 CDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000590567121 342576103 /nfs/dbraw/zinc/57/61/03/342576103.db2.gz XOQSUMKLBJOFDP-DTWKUNHWSA-N 1 0 267.285 1.352 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](O)C1 ZINC000074313774 361783266 /nfs/dbraw/zinc/78/32/66/361783266.db2.gz MJCHZGUWHNMGEX-LBPRGKRZSA-N 1 0 293.323 1.298 20 5 CDBDRO C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000330567008 365610064 /nfs/dbraw/zinc/61/00/64/365610064.db2.gz BAPGQVPUUVQNPN-OLZOCXBDSA-N 1 0 293.367 1.998 20 5 CDBDRO Cc1nn(CCC2CC[NH2+]CC2)c(C)c1[N+](=O)[O-] ZINC000134491887 342071132 /nfs/dbraw/zinc/07/11/32/342071132.db2.gz AJWPTDZSXPHORN-UHFFFAOYSA-N 1 0 252.318 1.798 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1COC[C@H]1O ZINC000565346017 365628913 /nfs/dbraw/zinc/62/89/13/365628913.db2.gz JYQSTVXBXCGPHI-OASPWFOLSA-N 1 0 266.297 1.314 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000565352680 365630892 /nfs/dbraw/zinc/63/08/92/365630892.db2.gz MZABZCJJPMJWPE-JQWIXIFHSA-N 1 0 292.339 1.474 20 5 CDBDRO C[C@@H]([NH3+])CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000310439948 342114791 /nfs/dbraw/zinc/11/47/91/342114791.db2.gz VYBYIFTWLLNVHD-RXMQYKEDSA-N 1 0 253.287 1.359 20 5 CDBDRO Cc1c(NC(=O)NCC[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000591272417 342623795 /nfs/dbraw/zinc/62/37/95/342623795.db2.gz JQKJNILYRSAGTE-UHFFFAOYSA-N 1 0 278.312 1.777 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000591672880 342641414 /nfs/dbraw/zinc/64/14/14/342641414.db2.gz QDTJTGKVQGJWFA-GFCCVEGCSA-N 1 0 293.323 1.218 20 5 CDBDRO C[C@@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CO1 ZINC000592366050 342689356 /nfs/dbraw/zinc/68/93/56/342689356.db2.gz OTCJJUTZQIWNMM-ZYHUDNBSSA-N 1 0 250.298 1.904 20 5 CDBDRO C[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1[NH3+] ZINC000592432747 342691929 /nfs/dbraw/zinc/69/19/29/342691929.db2.gz USYWLPCVYVQRMH-MWLCHTKSSA-N 1 0 293.323 1.145 20 5 CDBDRO CN(CCn1ccc([N+](=O)[O-])n1)CC[NH+]1CCCCC1 ZINC000593113065 342769969 /nfs/dbraw/zinc/76/99/69/342769969.db2.gz WJICPDDSMGJUBY-UHFFFAOYSA-N 1 0 281.360 1.209 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000593187567 342776280 /nfs/dbraw/zinc/77/62/80/342776280.db2.gz LYIVVDUVQDNPKB-MXWKQRLJSA-N 1 0 294.355 1.486 20 5 CDBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])o1 ZINC000594201682 342879863 /nfs/dbraw/zinc/87/98/63/342879863.db2.gz PGFQPJJAORTTFO-GHMZBOCLSA-N 1 0 293.323 1.935 20 5 CDBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1c[nH]nc1[N+](=O)[O-] ZINC000594419791 342903180 /nfs/dbraw/zinc/90/31/80/342903180.db2.gz RLQRULLASIAIHI-MNOVXSKESA-N 1 0 293.327 1.065 20 5 CDBDRO CC[C@@H](O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594521549 342917437 /nfs/dbraw/zinc/91/74/37/342917437.db2.gz SQSORFZMLREGPP-SKDRFNHKSA-N 1 0 250.298 1.943 20 5 CDBDRO C[NH+](C)C(C)(C)CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000600943965 342257817 /nfs/dbraw/zinc/25/78/17/342257817.db2.gz NWUPQMMVEFXSRM-UHFFFAOYSA-N 1 0 283.303 1.804 20 5 CDBDRO Cc1cnc(N[C@H]2CC[C@@H](C)[NH2+]C2)c([N+](=O)[O-])c1 ZINC000600955630 342257957 /nfs/dbraw/zinc/25/79/57/342257957.db2.gz OYODBUXNJANRCW-ZJUUUORDSA-N 1 0 250.302 1.851 20 5 CDBDRO Cc1cnc(N[C@@H]2CC[C@@H](C)[NH2+]C2)c([N+](=O)[O-])c1 ZINC000600955627 342258006 /nfs/dbraw/zinc/25/80/06/342258006.db2.gz OYODBUXNJANRCW-NXEZZACHSA-N 1 0 250.302 1.851 20 5 CDBDRO C[NH2+][C@H](C)c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594652870 342933755 /nfs/dbraw/zinc/93/37/55/342933755.db2.gz PXPOGLJKOMAXRB-SSDOTTSWSA-N 1 0 263.257 1.162 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000125839204 187202450 /nfs/dbraw/zinc/20/24/50/187202450.db2.gz UNGOUAMXTADJPD-MRVWCRGKSA-N 1 0 289.335 1.794 20 5 CDBDRO CC[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000177135775 529507010 /nfs/dbraw/zinc/50/70/10/529507010.db2.gz BXUCAUZHODPWNO-GFCCVEGCSA-N 1 0 251.286 1.338 20 5 CDBDRO C[N@H+](CCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000125980078 187208691 /nfs/dbraw/zinc/20/86/91/187208691.db2.gz TWXFMLISEUABJT-UHFFFAOYSA-N 1 0 289.129 1.781 20 5 CDBDRO Cc1c[nH]c(C[NH2+]CCc2ccccc2[N+](=O)[O-])n1 ZINC000594929869 342974750 /nfs/dbraw/zinc/97/47/50/342974750.db2.gz PCHSLOICLSVCRG-UHFFFAOYSA-N 1 0 260.297 1.959 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CNC(=O)C1 ZINC000595043786 342998539 /nfs/dbraw/zinc/99/85/39/342998539.db2.gz AFAASPPPNYSJCO-VHSXEESVSA-N 1 0 293.323 1.390 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000595262613 343014990 /nfs/dbraw/zinc/01/49/90/343014990.db2.gz ORQWSNHHVLSBTM-JTQLQIEISA-N 1 0 280.328 1.044 20 5 CDBDRO CC[NH+](CC)CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000075135273 342309147 /nfs/dbraw/zinc/30/91/47/342309147.db2.gz QEBNEJLBLFQNNC-UHFFFAOYSA-N 1 0 279.340 1.595 20 5 CDBDRO Cc1noc(CN2CCC[C@@H]([C@H](C)O)C2)c1[N+](=O)[O-] ZINC000595388325 343052944 /nfs/dbraw/zinc/05/29/44/343052944.db2.gz GSJKMLBBYGKLQT-VHSXEESVSA-N 1 0 269.301 1.484 20 5 CDBDRO Cc1ccnc(N2CCN(C[C@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000265285388 362092757 /nfs/dbraw/zinc/09/27/57/362092757.db2.gz XDHGMJSJENVIKH-NEPJUHHUSA-N 1 0 294.355 1.190 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[C@H]1CCC[NH2+]1 ZINC000166861437 362111695 /nfs/dbraw/zinc/11/16/95/362111695.db2.gz ZIYRHEDYHRVORY-SNVBAGLBSA-N 1 0 267.333 1.674 20 5 CDBDRO O=C1CC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1 ZINC000595744315 343150331 /nfs/dbraw/zinc/15/03/31/343150331.db2.gz VTZTVUGCJBMUKO-OCCSQVGLSA-N 1 0 289.335 1.695 20 5 CDBDRO COC[C@](C)(O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000069911792 342347134 /nfs/dbraw/zinc/34/71/34/342347134.db2.gz LZFLKGKKFBGSDF-CYBMUJFWSA-N 1 0 268.313 1.390 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000595927023 343183688 /nfs/dbraw/zinc/18/36/88/343183688.db2.gz NFFSFERAYPUTDT-LLVKDONJSA-N 1 0 265.313 1.252 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000595805992 343158772 /nfs/dbraw/zinc/15/87/72/343158772.db2.gz CQIXFAYQVMQUKG-SGMGOOAPSA-N 1 0 292.335 1.676 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000595983065 343211154 /nfs/dbraw/zinc/21/11/54/343211154.db2.gz NEMHWAYQXQYGFB-VIFPVBQESA-N 1 0 251.286 1.241 20 5 CDBDRO C[C@@]1(NC(=O)CCOc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000595990679 343213030 /nfs/dbraw/zinc/21/30/30/343213030.db2.gz BTKGBJIOJBWCNJ-CQSZACIVSA-N 1 0 293.323 1.232 20 5 CDBDRO C[C@@H]1C[C@H](C)N(c2ccc(N)c([N+](=O)[O-])n2)C[C@@H]1C[NH3+] ZINC000596014437 343218804 /nfs/dbraw/zinc/21/88/04/343218804.db2.gz PZEDZFJFRUJHKD-UTLUCORTSA-N 1 0 279.344 1.382 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000595924304 343192957 /nfs/dbraw/zinc/19/29/57/343192957.db2.gz KQGOZNDIKXFGNF-JTQLQIEISA-N 1 0 251.286 1.840 20 5 CDBDRO COCC[N@H+](C)CCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596075131 343226205 /nfs/dbraw/zinc/22/62/05/343226205.db2.gz XIYRGPZSVZRNKP-UHFFFAOYSA-N 1 0 284.316 1.076 20 5 CDBDRO O=c1[nH]ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c1[N+](=O)[O-] ZINC000596142607 343242041 /nfs/dbraw/zinc/24/20/41/343242041.db2.gz UBBDFMXRURSNRZ-SNVBAGLBSA-N 1 0 276.296 1.146 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC[C@@H]21 ZINC000596170205 343258484 /nfs/dbraw/zinc/25/84/84/343258484.db2.gz XYTXTHKKQFDEOK-MNOVXSKESA-N 1 0 292.339 1.616 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596277502 343296082 /nfs/dbraw/zinc/29/60/82/343296082.db2.gz GVKURAHPZYSUTA-SECBINFHSA-N 1 0 266.301 1.226 20 5 CDBDRO C[C@@H]([NH2+]CC1(CO)COC1)c1cccc([N+](=O)[O-])c1 ZINC000090606698 342396747 /nfs/dbraw/zinc/39/67/47/342396747.db2.gz ZKSUKDNVQJGRED-SNVBAGLBSA-N 1 0 266.297 1.254 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000619567052 349805310 /nfs/dbraw/zinc/80/53/10/349805310.db2.gz LHKYMSDWPDNMNI-SNVBAGLBSA-N 1 0 295.343 1.183 20 5 CDBDRO CNc1ccc(C(=O)N(C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000565891510 365743612 /nfs/dbraw/zinc/74/36/12/365743612.db2.gz NRQGGIBGLOAFAR-MRVPVSSYSA-N 1 0 266.301 1.056 20 5 CDBDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000597218681 343483439 /nfs/dbraw/zinc/48/34/39/343483439.db2.gz RUYXYEFZQUMPTI-PHIMTYICSA-N 1 0 264.281 1.636 20 5 CDBDRO CC1(C)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000598914015 343919611 /nfs/dbraw/zinc/91/96/11/343919611.db2.gz VJCLJTIDUYEQHI-UHFFFAOYSA-N 1 0 296.302 1.950 20 5 CDBDRO CN(CCC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598916254 343920182 /nfs/dbraw/zinc/92/01/82/343920182.db2.gz UYFSNQOVWDSWDR-UHFFFAOYSA-N 1 0 270.264 1.546 20 5 CDBDRO CCN(CC[NH3+])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000599908714 344154347 /nfs/dbraw/zinc/15/43/47/344154347.db2.gz VBUQBMJSRUXPPA-SNVBAGLBSA-N 1 0 280.328 1.646 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000599988753 344160419 /nfs/dbraw/zinc/16/04/19/344160419.db2.gz LDHXJVRECQYQQA-JYAVWHMHSA-N 1 0 289.335 1.156 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000599992250 344161605 /nfs/dbraw/zinc/16/16/05/344161605.db2.gz VPKLKMPAPJTBSL-YABSGUDNSA-N 1 0 289.335 1.535 20 5 CDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1c(F)cccc1[N+](=O)[O-] ZINC000602429410 344422743 /nfs/dbraw/zinc/42/27/43/344422743.db2.gz CXENXWNFPVCNGL-VIFPVBQESA-N 1 0 281.287 1.606 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602431194 344423814 /nfs/dbraw/zinc/42/38/14/344423814.db2.gz CQOCJIPOLILWJD-ZJUUUORDSA-N 1 0 295.314 1.933 20 5 CDBDRO Cn1cc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c([N+](=O)[O-])n1 ZINC000602473581 344432629 /nfs/dbraw/zinc/43/26/29/344432629.db2.gz UYJSWDWAXHUFCB-UWVGGRQHSA-N 1 0 250.302 1.560 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CO)CC2CC2)cc1 ZINC000602580651 344475099 /nfs/dbraw/zinc/47/50/99/344475099.db2.gz CQRNBJLXHSTFIR-ZDUSSCGKSA-N 1 0 264.325 1.888 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000602825187 344611565 /nfs/dbraw/zinc/61/15/65/344611565.db2.gz JYIVXBYJELIBRC-UHFFFAOYSA-N 1 0 281.360 1.126 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]([NH2+]C(C)C)C1 ZINC000602791268 344601706 /nfs/dbraw/zinc/60/17/06/344601706.db2.gz CRMNDXFKFPAKNO-ZDUSSCGKSA-N 1 0 295.387 1.562 20 5 CDBDRO CC1(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000129030017 362485319 /nfs/dbraw/zinc/48/53/19/362485319.db2.gz CXRGHBKGWFWZAU-UHFFFAOYSA-N 1 0 295.314 1.853 20 5 CDBDRO Cc1ccnc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000292680718 362489790 /nfs/dbraw/zinc/48/97/90/362489790.db2.gz DPYLOCSYICIVFW-PHIMTYICSA-N 1 0 264.329 1.827 20 5 CDBDRO CC[C@H](C)[NH+]1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602841565 344621949 /nfs/dbraw/zinc/62/19/49/344621949.db2.gz UDJBHSUFQCDYQK-LBPRGKRZSA-N 1 0 295.387 1.516 20 5 CDBDRO [NH3+]CCCCc1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000603224557 344738092 /nfs/dbraw/zinc/73/80/92/344738092.db2.gz QSJZULFKSSSDCH-UHFFFAOYSA-N 1 0 293.302 1.655 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000603706523 344827618 /nfs/dbraw/zinc/82/76/18/344827618.db2.gz QOHSMMVIEOYFHM-QWRGUYRKSA-N 1 0 292.339 1.290 20 5 CDBDRO CC1(CNC(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000129073027 362502897 /nfs/dbraw/zinc/50/28/97/362502897.db2.gz HZADGZPBIACSDM-UHFFFAOYSA-N 1 0 277.324 1.714 20 5 CDBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000159765345 362521993 /nfs/dbraw/zinc/52/19/93/362521993.db2.gz ZKQDNAZTKCGMKA-SNVBAGLBSA-N 1 0 295.314 1.935 20 5 CDBDRO C[C@]1(NC(=O)c2csc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000230733663 345441563 /nfs/dbraw/zinc/44/15/63/345441563.db2.gz QNCYTMNESBIEDZ-JTQLQIEISA-N 1 0 255.299 1.138 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000609600307 345827236 /nfs/dbraw/zinc/82/72/36/345827236.db2.gz SXWMHXUEDOYCEM-SECBINFHSA-N 1 0 267.285 1.212 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000610068065 346162011 /nfs/dbraw/zinc/16/20/11/346162011.db2.gz QYTYUQUGFGMEKG-LLVKDONJSA-N 1 0 292.339 1.481 20 5 CDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCOC1 ZINC000610453356 346286609 /nfs/dbraw/zinc/28/66/09/346286609.db2.gz YLWSKIWFGGCTDJ-LLVKDONJSA-N 1 0 268.317 1.150 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]([C@H]3CCCOC3)C2)nc1 ZINC000610569960 346314861 /nfs/dbraw/zinc/31/48/61/346314861.db2.gz IEHFYRVOMDQWPT-AAEUAGOBSA-N 1 0 292.339 1.655 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])cn2)C[C@H]1C ZINC000611221650 346695715 /nfs/dbraw/zinc/69/57/15/346695715.db2.gz DSLKLALCLWDTBI-MNOVXSKESA-N 1 0 264.329 1.909 20 5 CDBDRO CC(C)C([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000611434000 346783083 /nfs/dbraw/zinc/78/30/83/346783083.db2.gz BRLUEDRTSRGNHR-GFCCVEGCSA-N 1 0 284.360 1.422 20 5 CDBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000079034439 346792584 /nfs/dbraw/zinc/79/25/84/346792584.db2.gz KKFIUGMEEIPZDX-VIFPVBQESA-N 1 0 283.353 1.726 20 5 CDBDRO Cn1c(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000089106373 282569546 /nfs/dbraw/zinc/56/95/46/282569546.db2.gz SQSXEUDYEDLDFO-NXEZZACHSA-N 1 0 280.328 1.181 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CCN(c2cc[nH+]cc2)CC1 ZINC000026758339 348660691 /nfs/dbraw/zinc/66/06/91/348660691.db2.gz SRAHISCBCSEBRM-UHFFFAOYSA-N 1 0 285.307 1.711 20 5 CDBDRO CC(C)(CCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000293695569 362931116 /nfs/dbraw/zinc/93/11/16/362931116.db2.gz PKTXPTJRPWAZDO-UHFFFAOYSA-N 1 0 255.274 1.435 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000089090818 179697886 /nfs/dbraw/zinc/69/78/86/179697886.db2.gz CKYVEOLAVILGQZ-CBAPKCEASA-N 1 0 269.326 1.514 20 5 CDBDRO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000067703045 349033735 /nfs/dbraw/zinc/03/37/35/349033735.db2.gz OHNPBOKZNGCQPA-NSHDSACASA-N 1 0 289.335 1.870 20 5 CDBDRO COc1cc(C[NH2+]CC[C@H](C)O)c([N+](=O)[O-])cc1O ZINC000114771271 349292278 /nfs/dbraw/zinc/29/22/78/349292278.db2.gz NIRILTHQNXYEDC-QMMMGPOBSA-N 1 0 270.285 1.170 20 5 CDBDRO Cc1c(NC(=O)C[C@H]2C[NH2+]CCO2)cccc1[N+](=O)[O-] ZINC000091300091 180126784 /nfs/dbraw/zinc/12/67/84/180126784.db2.gz YZHDFQWRKHXXFL-JTQLQIEISA-N 1 0 279.296 1.220 20 5 CDBDRO CN1CCO[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000105471258 186059333 /nfs/dbraw/zinc/05/93/33/186059333.db2.gz ZXFWMWKUSWLMCP-JTQLQIEISA-N 1 0 271.342 1.077 20 5 CDBDRO COC[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000515637598 362954538 /nfs/dbraw/zinc/95/45/38/362954538.db2.gz PXLMFZASCGXUEU-SNVBAGLBSA-N 1 0 281.312 1.548 20 5 CDBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000110647397 186310161 /nfs/dbraw/zinc/31/01/61/186310161.db2.gz CIQMOSXOWFWBFR-MRVPVSSYSA-N 1 0 267.285 1.387 20 5 CDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCC[C@H]1CC[NH2+]C1 ZINC000110795426 186324932 /nfs/dbraw/zinc/32/49/32/186324932.db2.gz IGGSGFNBRWWJAH-BTDICHCPSA-N 1 0 289.335 1.724 20 5 CDBDRO CC(C)[C@@H]([NH3+])c1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000312159039 350754509 /nfs/dbraw/zinc/75/45/09/350754509.db2.gz HWDRBXMSOKEPLV-CYBMUJFWSA-N 1 0 275.312 1.890 20 5 CDBDRO CN(CCCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000081791204 351167489 /nfs/dbraw/zinc/16/74/89/351167489.db2.gz KRAPUYQNXXEEEY-UHFFFAOYSA-N 1 0 268.317 1.337 20 5 CDBDRO C[C@@H](CCCC[NH3+])NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000292054537 198147362 /nfs/dbraw/zinc/14/73/62/198147362.db2.gz JNLPZXAAJNBRQB-NSHDSACASA-N 1 0 295.339 1.607 20 5 CDBDRO Cc1c(CNC(=O)[C@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000231856206 140219735 /nfs/dbraw/zinc/21/97/35/140219735.db2.gz DQTUMNQXQTWIDW-GFCCVEGCSA-N 1 0 265.313 1.503 20 5 CDBDRO C[C@H]([NH3+])C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000135225510 187809215 /nfs/dbraw/zinc/80/92/15/187809215.db2.gz JBKQIOZTZOCTAT-NSHDSACASA-N 1 0 291.351 1.723 20 5 CDBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000153987138 188116441 /nfs/dbraw/zinc/11/64/41/188116441.db2.gz MKXXAIFHWLHNAS-CQSZACIVSA-N 1 0 291.351 1.690 20 5 CDBDRO Cc1ccoc1C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000292432515 198285823 /nfs/dbraw/zinc/28/58/23/198285823.db2.gz WFRXQNJLHHJXOK-LBPRGKRZSA-N 1 0 294.311 1.186 20 5 CDBDRO NC(=O)[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000157095330 188296697 /nfs/dbraw/zinc/29/66/97/188296697.db2.gz ZJUAJZMGLHMWRK-PYEVWLCESA-N 1 0 275.308 1.415 20 5 CDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000157958048 188348452 /nfs/dbraw/zinc/34/84/52/188348452.db2.gz ZFINLTQZHZTIBC-SNVBAGLBSA-N 1 0 292.339 1.224 20 5 CDBDRO C[NH2+]CC1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000063159562 363236859 /nfs/dbraw/zinc/23/68/59/363236859.db2.gz YUGHVGXPCWNKHS-UHFFFAOYSA-N 1 0 291.351 1.975 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000163287632 188603739 /nfs/dbraw/zinc/60/37/39/188603739.db2.gz QGGPZXNKJNMATL-JGVFFNPUSA-N 1 0 269.326 1.466 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000163291662 188604245 /nfs/dbraw/zinc/60/42/45/188604245.db2.gz QZDXRPNOSBECKZ-MWLCHTKSSA-N 1 0 263.297 1.404 20 5 CDBDRO O=C(CC[C@H]1CC[NH2+]C1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000134537152 356335594 /nfs/dbraw/zinc/33/55/94/356335594.db2.gz YKTIPBYRXIECJK-ZDUSSCGKSA-N 1 0 291.351 1.643 20 5 CDBDRO C[C@@H]1C[C@H](O)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000401688937 356426945 /nfs/dbraw/zinc/42/69/45/356426945.db2.gz DPQUOFJANPNXCJ-RISCZKNCSA-N 1 0 264.325 1.840 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H]3OCCC[C@H]3C2)n1 ZINC000246960796 356555241 /nfs/dbraw/zinc/55/52/41/356555241.db2.gz XLQADRPXJKQTQO-NWDGAFQWSA-N 1 0 280.328 1.292 20 5 CDBDRO COc1cccc(N[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000134929134 356661109 /nfs/dbraw/zinc/66/11/09/356661109.db2.gz KNKSFDUKTKCONU-VIFPVBQESA-N 1 0 253.302 1.965 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000163655783 357048960 /nfs/dbraw/zinc/04/89/60/357048960.db2.gz MEWSYJZQZRBCFA-GXFFZTMASA-N 1 0 291.351 1.960 20 5 CDBDRO CC[NH+](CC)CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000046464866 357143910 /nfs/dbraw/zinc/14/39/10/357143910.db2.gz KTOMLYLVXMOHEL-UHFFFAOYSA-N 1 0 279.340 1.595 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCC2CC(O)C2)c1 ZINC000432345230 357250983 /nfs/dbraw/zinc/25/09/83/357250983.db2.gz GNRZUAAALZIXIH-UHFFFAOYSA-N 1 0 250.298 1.845 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccnc1 ZINC000119067108 357253648 /nfs/dbraw/zinc/25/36/48/357253648.db2.gz MVYYHBOZBXXNSH-UHFFFAOYSA-N 1 0 261.285 1.318 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1(C[NH3+])CCC1 ZINC000566102903 357277529 /nfs/dbraw/zinc/27/75/29/357277529.db2.gz BSJVLIRZSXTKKL-UHFFFAOYSA-N 1 0 293.323 1.557 20 5 CDBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CC[NH2+]1 ZINC001579607677 1172222124 /nfs/dbraw/zinc/22/21/24/1172222124.db2.gz DLOMBCCUCUDEJB-SECBINFHSA-N 1 0 281.287 1.476 20 5 CDBDRO C[C@H](CCNC(=O)c1[nH]ncc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000182241170 357425406 /nfs/dbraw/zinc/42/54/06/357425406.db2.gz PYBAGLMMSIAEEC-SNVBAGLBSA-N 1 0 295.343 1.312 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000311624913 357433855 /nfs/dbraw/zinc/43/38/55/357433855.db2.gz XWWGRQIQRCOHLM-SECBINFHSA-N 1 0 266.301 1.844 20 5 CDBDRO CC(C)C[C@H](C[NH3+])NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000236844238 357521338 /nfs/dbraw/zinc/52/13/38/357521338.db2.gz UTSBSIIXVQFMRI-LLVKDONJSA-N 1 0 295.339 1.463 20 5 CDBDRO CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284066712 357637631 /nfs/dbraw/zinc/63/76/31/357637631.db2.gz LAOBOWQQXGTZRF-ZANVPECISA-N 1 0 267.329 1.989 20 5 CDBDRO Cc1cc(C(=O)NC2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000135211838 357770563 /nfs/dbraw/zinc/77/05/63/357770563.db2.gz UZSOEKOKAZLCCC-UHFFFAOYSA-N 1 0 263.297 1.385 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC[NH2+]1 ZINC000135220994 357792646 /nfs/dbraw/zinc/79/26/46/357792646.db2.gz CJZUKSOYNOPQQX-LBPRGKRZSA-N 1 0 277.324 1.396 20 5 CDBDRO C[C@@H]([NH3+])C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000135225530 357798161 /nfs/dbraw/zinc/79/81/61/357798161.db2.gz JBKQIOZTZOCTAT-LLVKDONJSA-N 1 0 291.351 1.723 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000135227342 357798410 /nfs/dbraw/zinc/79/84/10/357798410.db2.gz OSGNFMSBSOYMCF-SECBINFHSA-N 1 0 281.287 1.415 20 5 CDBDRO C[C@@H]1CCCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000187938082 357825826 /nfs/dbraw/zinc/82/58/26/357825826.db2.gz JEMOILXLKHMLKQ-GFCCVEGCSA-N 1 0 279.340 1.879 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]1(C)CC[NH2+]C1 ZINC000062895344 357980120 /nfs/dbraw/zinc/98/01/20/357980120.db2.gz CDIFOPUMGOVYDZ-CQSZACIVSA-N 1 0 277.324 1.553 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc3c(n2)CCC3)c1 ZINC000566548039 358071501 /nfs/dbraw/zinc/07/15/01/358071501.db2.gz MAXCBDUEGLJWTO-UHFFFAOYSA-N 1 0 287.323 1.465 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000190324337 358067417 /nfs/dbraw/zinc/06/74/17/358067417.db2.gz XQOVKQWERRVXNV-MRVPVSSYSA-N 1 0 256.331 1.582 20 5 CDBDRO COc1cc(C[NH2+]CC[C@H](C)CCO)c([N+](=O)[O-])cc1O ZINC000294671086 199127550 /nfs/dbraw/zinc/12/75/50/199127550.db2.gz ANYKTVVOENGMGD-JTQLQIEISA-N 1 0 298.339 1.807 20 5 CDBDRO C[C@H]([NH3+])CCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000193255695 358278303 /nfs/dbraw/zinc/27/83/03/358278303.db2.gz IFJSRHFFSONINN-VIFPVBQESA-N 1 0 263.297 1.611 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CCC[NH2+][C@H]2C)c1[N+](=O)[O-] ZINC000193531223 358301213 /nfs/dbraw/zinc/30/12/13/358301213.db2.gz GMBBTOBWFPHSRI-IUCAKERBSA-N 1 0 295.343 1.141 20 5 CDBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000193611766 358308866 /nfs/dbraw/zinc/30/88/66/358308866.db2.gz UQSPCHOZSBEYAS-PRHODGIISA-N 1 0 297.742 1.862 20 5 CDBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000193700299 358317564 /nfs/dbraw/zinc/31/75/64/358317564.db2.gz JWEWPGKSIVWPNH-OZAOCKQISA-N 1 0 289.335 1.722 20 5 CDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408228224 358450541 /nfs/dbraw/zinc/45/05/41/358450541.db2.gz WKYMWYHPDWTEKD-BXKDBHETSA-N 1 0 280.328 1.335 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1 ZINC000567609634 358707730 /nfs/dbraw/zinc/70/77/30/358707730.db2.gz UTXUFTUMBJGZDE-GXTWGEPZSA-N 1 0 294.355 1.682 20 5 CDBDRO COc1ccc(CN2C[C@H]3CCC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000299921233 358973394 /nfs/dbraw/zinc/97/33/94/358973394.db2.gz LZPHJBVTPJQJON-OLZOCXBDSA-N 1 0 291.351 1.787 20 5 CDBDRO COc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000051185727 366526540 /nfs/dbraw/zinc/52/65/40/366526540.db2.gz BVHZABZBUHMYHD-UHFFFAOYSA-N 1 0 293.323 1.301 20 5 CDBDRO CC(C)[C@]1(C)C[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000397150303 359072662 /nfs/dbraw/zinc/07/26/62/359072662.db2.gz LRKZBACJXQTOTM-UPJWGTAASA-N 1 0 282.344 1.176 20 5 CDBDRO O=[N+]([O-])c1cc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)cs1 ZINC000219795677 359127073 /nfs/dbraw/zinc/12/70/73/359127073.db2.gz HJNVHLRICKRPDD-WDEREUQCSA-N 1 0 267.354 1.840 20 5 CDBDRO C[NH+]1CCN(CCNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000227648609 359520037 /nfs/dbraw/zinc/52/00/37/359520037.db2.gz QLGVPBQXADXAHV-UHFFFAOYSA-N 1 0 299.762 1.303 20 5 CDBDRO Cc1ccc(NCCCNC(=O)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000340184828 359585977 /nfs/dbraw/zinc/58/59/77/359585977.db2.gz KAZVRBSZCHWSOP-NSHDSACASA-N 1 0 294.355 1.559 20 5 CDBDRO CC[NH+](CC)C[C@H]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000297302206 200140492 /nfs/dbraw/zinc/14/04/92/200140492.db2.gz YPEPGNRBTSZHRK-GFCCVEGCSA-N 1 0 293.371 1.861 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000050245665 359688762 /nfs/dbraw/zinc/68/87/62/359688762.db2.gz LJOWWUNOADOWKT-JTQLQIEISA-N 1 0 263.297 1.324 20 5 CDBDRO Cc1nc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000297553304 200226509 /nfs/dbraw/zinc/22/65/09/200226509.db2.gz QYPNUBDNSVYRQF-SCZZXKLOSA-N 1 0 277.328 1.730 20 5 CDBDRO Cc1c(C[N@H+]2C[C@H](O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000340906262 363666729 /nfs/dbraw/zinc/66/67/29/363666729.db2.gz ATWWYIPGBKZWSV-JOYOIKCWSA-N 1 0 250.298 1.858 20 5 CDBDRO CC(C)[C@H](C[NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000347846602 359861411 /nfs/dbraw/zinc/86/14/11/359861411.db2.gz LMMLVNPYUAHNMX-LBPRGKRZSA-N 1 0 279.340 1.484 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000089108773 283505123 /nfs/dbraw/zinc/50/51/23/283505123.db2.gz PYFGHBCSWQFTSN-MWLCHTKSSA-N 1 0 250.302 1.919 20 5 CDBDRO C[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000235328626 360016019 /nfs/dbraw/zinc/01/60/19/360016019.db2.gz KSNFSLOVYUQCFN-BXUZGUMPSA-N 1 0 291.351 1.723 20 5 CDBDRO C[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000298383406 200413033 /nfs/dbraw/zinc/41/30/33/200413033.db2.gz ZQAPMWFZRWQTCD-SNVBAGLBSA-N 1 0 281.312 1.040 20 5 CDBDRO CCN(Cc1c([N+](=O)[O-])ncn1C)Cc1ccncc1 ZINC000348064857 360299221 /nfs/dbraw/zinc/29/92/21/360299221.db2.gz AEPBQBUKNMFRHR-UHFFFAOYSA-N 1 0 275.312 1.745 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000176388064 360266670 /nfs/dbraw/zinc/26/66/70/360266670.db2.gz QJTIGFYDKOGBPM-UHFFFAOYSA-N 1 0 265.313 1.157 20 5 CDBDRO COC[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000227690384 360289557 /nfs/dbraw/zinc/28/95/57/360289557.db2.gz VDONHHAPARNWNJ-ZWNOBZJWSA-N 1 0 268.313 1.907 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000382411812 360294278 /nfs/dbraw/zinc/29/42/78/360294278.db2.gz DWZXMTKXIRJYFR-MNOVXSKESA-N 1 0 281.287 1.734 20 5 CDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000354947447 360326674 /nfs/dbraw/zinc/32/66/74/360326674.db2.gz GIWCMFPSCKUOQB-JTQLQIEISA-N 1 0 293.323 1.467 20 5 CDBDRO CCCC[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(N)=O ZINC000051923354 360526745 /nfs/dbraw/zinc/52/67/45/360526745.db2.gz GZUHCBLTHBTCCO-UHFFFAOYSA-N 1 0 295.339 1.561 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000235685451 360595314 /nfs/dbraw/zinc/59/53/14/360595314.db2.gz XFWJVDKTDQSZNF-ONGXEEELSA-N 1 0 263.297 1.465 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000408343086 360681489 /nfs/dbraw/zinc/68/14/89/360681489.db2.gz NGBNGWMZGNVFHK-QWRGUYRKSA-N 1 0 279.344 1.249 20 5 CDBDRO C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000136048927 360675668 /nfs/dbraw/zinc/67/56/68/360675668.db2.gz IJDDNTZBVCXJJE-QWRGUYRKSA-N 1 0 277.324 1.346 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000178998557 189160811 /nfs/dbraw/zinc/16/08/11/189160811.db2.gz HWRMVHRTEXBKGA-VIFPVBQESA-N 1 0 283.353 1.646 20 5 CDBDRO CCOc1ccc(C(=O)NC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000137319366 361054256 /nfs/dbraw/zinc/05/42/56/361054256.db2.gz OBUMJVVSIRGWJI-LLVKDONJSA-N 1 0 293.323 1.461 20 5 CDBDRO Cc1cc(NCC[C@H]2CCC[NH2+]2)ncc1[N+](=O)[O-] ZINC000166856223 361340661 /nfs/dbraw/zinc/34/06/61/361340661.db2.gz UBAWPOOVVDQSQB-SNVBAGLBSA-N 1 0 250.302 1.852 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000367375684 361354503 /nfs/dbraw/zinc/35/45/03/361354503.db2.gz WCTJJLOEAAGUNF-QWRGUYRKSA-N 1 0 295.314 1.675 20 5 CDBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000036283679 361415094 /nfs/dbraw/zinc/41/50/94/361415094.db2.gz WHNOSKZCARINNP-UHFFFAOYSA-N 1 0 278.312 1.811 20 5 CDBDRO COc1cc(C[NH2+]C(C)(C)CC(N)=O)c([N+](=O)[O-])cc1F ZINC000184409052 189385479 /nfs/dbraw/zinc/38/54/79/189385479.db2.gz PXZHEZGLVGCHGV-UHFFFAOYSA-N 1 0 299.302 1.486 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000186750333 189449632 /nfs/dbraw/zinc/44/96/32/189449632.db2.gz UHXLMRLKGQCUCK-ZYHUDNBSSA-N 1 0 277.324 1.252 20 5 CDBDRO CC(C)(CCC[NH3+])NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000293728905 363995854 /nfs/dbraw/zinc/99/58/54/363995854.db2.gz SYTHPJFLIBYRML-UHFFFAOYSA-N 1 0 295.339 1.607 20 5 CDBDRO C[NH+](C)[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000575327514 364004903 /nfs/dbraw/zinc/00/49/03/364004903.db2.gz XWYBQCHJVWXXMC-STQMWFEESA-N 1 0 299.758 1.355 20 5 CDBDRO Cc1ccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000581416798 363985326 /nfs/dbraw/zinc/98/53/26/363985326.db2.gz GMCRGJZLCJSYPW-MFKMUULPSA-N 1 0 290.323 1.729 20 5 CDBDRO NC(=O)C[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000175201870 364644389 /nfs/dbraw/zinc/64/43/89/364644389.db2.gz NLSNVMMJYHYYTF-CYBMUJFWSA-N 1 0 291.351 1.725 20 5 CDBDRO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000249558859 364874584 /nfs/dbraw/zinc/87/45/84/364874584.db2.gz KXYDZGSUYFLPRT-WCQYABFASA-N 1 0 280.324 1.676 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+](C)C)c1 ZINC000053366467 364988441 /nfs/dbraw/zinc/98/84/41/364988441.db2.gz GVDKUGOXYJNESB-UHFFFAOYSA-N 1 0 283.353 1.608 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)nc1 ZINC000110490045 365051277 /nfs/dbraw/zinc/05/12/77/365051277.db2.gz FNFYPADALJCYQX-NEPJUHHUSA-N 1 0 278.312 1.265 20 5 CDBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548419863 366904854 /nfs/dbraw/zinc/90/48/54/366904854.db2.gz UOGNUUSMKIPOFF-SNVBAGLBSA-N 1 0 295.343 1.312 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094340428 366917383 /nfs/dbraw/zinc/91/73/83/366917383.db2.gz IYCPWIYDFCYMLS-ONGXEEELSA-N 1 0 263.297 1.404 20 5 CDBDRO Cc1c(NC(=O)NCC(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC000414708586 241341876 /nfs/dbraw/zinc/34/18/76/241341876.db2.gz PXORZKILKXCGSC-UHFFFAOYSA-N 1 0 266.301 1.762 20 5 CDBDRO Cc1c(NC(=O)N[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000414715195 241347446 /nfs/dbraw/zinc/34/74/46/241347446.db2.gz WCWUFFDMXFQOQA-SECBINFHSA-N 1 0 264.285 1.387 20 5 CDBDRO Cc1nc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ncc1[N+](=O)[O-] ZINC000297442943 367246598 /nfs/dbraw/zinc/24/65/98/367246598.db2.gz ITXSBYHGBBFFBR-NWDGAFQWSA-N 1 0 291.355 1.614 20 5 CDBDRO CCc1ccc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000272194339 367310517 /nfs/dbraw/zinc/31/05/17/367310517.db2.gz FPUXHOTYHBKCMO-ZWNOBZJWSA-N 1 0 291.351 1.967 20 5 CDBDRO C[C@H](NC(=O)NC[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000417144677 242336334 /nfs/dbraw/zinc/33/63/34/242336334.db2.gz VWYIDBRXQKZBFG-JQWIXIFHSA-N 1 0 292.339 1.707 20 5 CDBDRO C[C@H](NC(=O)N1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000417147102 242336340 /nfs/dbraw/zinc/33/63/40/242336340.db2.gz ZBGDTERDZASAFC-JTQLQIEISA-N 1 0 278.312 1.271 20 5 CDBDRO Cc1c(NC(=O)N2CC([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000272353337 367693761 /nfs/dbraw/zinc/69/37/61/367693761.db2.gz OYDMCDPRHHGRMW-UHFFFAOYSA-N 1 0 278.312 1.681 20 5 CDBDRO [NH3+][C@H]1CC[C@@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000269225957 367959665 /nfs/dbraw/zinc/95/96/65/367959665.db2.gz FGHOMFFGFVYNNV-SCZZXKLOSA-N 1 0 297.742 1.992 20 5 CDBDRO COc1ccc(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000269273720 368141754 /nfs/dbraw/zinc/14/17/54/368141754.db2.gz YHXZYGILVHUSRG-MNOVXSKESA-N 1 0 293.323 1.347 20 5 CDBDRO Cc1cc(N(C)CC[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420274410 244009388 /nfs/dbraw/zinc/00/93/88/244009388.db2.gz DUHAMIDKZOTLCN-UHFFFAOYSA-N 1 0 287.323 1.755 20 5 CDBDRO CN(CCOc1ccccc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000420335421 244103620 /nfs/dbraw/zinc/10/36/20/244103620.db2.gz UWFVTJWKLZMAMF-UHFFFAOYSA-N 1 0 279.340 1.787 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000160437164 369456536 /nfs/dbraw/zinc/45/65/36/369456536.db2.gz SVICIXGYARONLS-UHFFFAOYSA-N 1 0 297.359 1.124 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000295228839 369718648 /nfs/dbraw/zinc/71/86/48/369718648.db2.gz NSHYAZGNZQRWAD-SSDOTTSWSA-N 1 0 257.315 1.432 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000037669496 369786253 /nfs/dbraw/zinc/78/62/53/369786253.db2.gz JCEHBKQSLCFWFX-LLVKDONJSA-N 1 0 295.314 1.948 20 5 CDBDRO COC(=O)c1cc(NC(=O)C2([NH3+])CCC2)cc([N+](=O)[O-])c1 ZINC000295544445 370470425 /nfs/dbraw/zinc/47/04/25/370470425.db2.gz XRKWGGAFSDNLFN-UHFFFAOYSA-N 1 0 293.279 1.201 20 5 CDBDRO CC[C@@H](CO)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000295705913 370581499 /nfs/dbraw/zinc/58/14/99/370581499.db2.gz MVQCYJPROYGTKU-NSHDSACASA-N 1 0 268.313 1.676 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000422772816 245237217 /nfs/dbraw/zinc/23/72/17/245237217.db2.gz ZQFNTKMVDUMRNB-LBPRGKRZSA-N 1 0 291.351 1.941 20 5 CDBDRO Cc1c(CC(=O)NCC(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC000422881438 245366228 /nfs/dbraw/zinc/36/62/28/245366228.db2.gz NPOXJDZSGOGANB-UHFFFAOYSA-N 1 0 265.313 1.299 20 5 CDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000237060125 189861687 /nfs/dbraw/zinc/86/16/87/189861687.db2.gz PWCCNJCOBSYSTG-GFCCVEGCSA-N 1 0 292.339 1.128 20 5 CDBDRO Cc1ccc(NC(=O)CC2(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000422906299 245392194 /nfs/dbraw/zinc/39/21/94/245392194.db2.gz JNFSRSNURLVVSB-UHFFFAOYSA-N 1 0 263.297 1.971 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000237314714 189872324 /nfs/dbraw/zinc/87/23/24/189872324.db2.gz CIFSAQSMNHWWGC-LBPRGKRZSA-N 1 0 293.367 1.889 20 5 CDBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])c2nonc21)C1CC1 ZINC000059035212 373043175 /nfs/dbraw/zinc/04/31/75/373043175.db2.gz FCMIYIIOCBDXAI-UHFFFAOYSA-N 1 0 277.284 1.637 20 5 CDBDRO C[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000298725371 374082686 /nfs/dbraw/zinc/08/26/86/374082686.db2.gz MMYDMEZHHSLMSL-NXEZZACHSA-N 1 0 294.359 1.499 20 5 CDBDRO CNC(=O)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000065684167 374280704 /nfs/dbraw/zinc/28/07/04/374280704.db2.gz OKQAPQTYMIZDRS-UHFFFAOYSA-N 1 0 251.286 1.163 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000066149915 374304761 /nfs/dbraw/zinc/30/47/61/374304761.db2.gz WAHPXSKGLUGAOI-SECBINFHSA-N 1 0 269.301 1.648 20 5 CDBDRO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000423958415 246254193 /nfs/dbraw/zinc/25/41/93/246254193.db2.gz QMFBNCBDORCKNG-ZWNOBZJWSA-N 1 0 277.324 1.333 20 5 CDBDRO COCC[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000081711677 374544010 /nfs/dbraw/zinc/54/40/10/374544010.db2.gz BXPADXGUVLEDIG-LLVKDONJSA-N 1 0 268.313 1.988 20 5 CDBDRO Cc1c(C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000070145082 374650490 /nfs/dbraw/zinc/65/04/90/374650490.db2.gz OUCCJMHRRPUGOC-SKDRFNHKSA-N 1 0 277.324 1.713 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000070447039 374662215 /nfs/dbraw/zinc/66/22/15/374662215.db2.gz WWRCPDXUXZLWCY-LLVKDONJSA-N 1 0 251.286 1.308 20 5 CDBDRO CO[C@@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1OC ZINC000276846120 374753029 /nfs/dbraw/zinc/75/30/29/374753029.db2.gz CPDZYPZFWKMZFM-OKILXGFUSA-N 1 0 280.324 1.749 20 5 CDBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc([N+](=O)[O-])o1 ZINC000277913218 374823526 /nfs/dbraw/zinc/82/35/26/374823526.db2.gz MPOVILYSBADGOA-NSHDSACASA-N 1 0 293.323 1.935 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000124595678 374827290 /nfs/dbraw/zinc/82/72/90/374827290.db2.gz DMGABSUUOKEMSC-UHFFFAOYSA-N 1 0 285.731 1.930 20 5 CDBDRO C[C@@H]1[NH2+]CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000277453141 374788110 /nfs/dbraw/zinc/78/81/10/374788110.db2.gz GQQSXECXAXXLLY-LHXDFBSTSA-N 1 0 289.335 1.817 20 5 CDBDRO C[C@H]([NH3+])CCC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000277482432 374789761 /nfs/dbraw/zinc/78/97/61/374789761.db2.gz MKYDNNCTCKYRJA-QMMMGPOBSA-N 1 0 285.731 1.992 20 5 CDBDRO CC1(C)C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000279721981 374952381 /nfs/dbraw/zinc/95/23/81/374952381.db2.gz IYRGUTASEFSILN-ZDUSSCGKSA-N 1 0 280.324 1.676 20 5 CDBDRO CS[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000282222478 375073644 /nfs/dbraw/zinc/07/36/44/375073644.db2.gz ODVJLHJWWWGNGX-STQMWFEESA-N 1 0 296.396 1.659 20 5 CDBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332734255 375046836 /nfs/dbraw/zinc/04/68/36/375046836.db2.gz VINHTWZBDZEXJY-GFCCVEGCSA-N 1 0 268.317 1.065 20 5 CDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000332732432 375047413 /nfs/dbraw/zinc/04/74/13/375047413.db2.gz WIHNHMFGWQNYIE-SNVBAGLBSA-N 1 0 280.328 1.479 20 5 CDBDRO C[C@H]1OCC[C@@]1(O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000227147534 375451766 /nfs/dbraw/zinc/45/17/66/375451766.db2.gz IVAGDLIFYGTODH-BXUZGUMPSA-N 1 0 280.324 1.267 20 5 CDBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(C)C1=O ZINC000352656684 375526277 /nfs/dbraw/zinc/52/62/77/375526277.db2.gz CAVGDDUUHNJFQT-NSHDSACASA-N 1 0 297.742 1.911 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](CO)C2CCCC2)c1 ZINC000289482501 197367881 /nfs/dbraw/zinc/36/78/81/197367881.db2.gz IYCFTYFMWCLOAY-CABCVRRESA-N 1 0 294.351 1.769 20 5 CDBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@](C)(O)C[NH+](C)C ZINC000133035855 375667824 /nfs/dbraw/zinc/66/78/24/375667824.db2.gz GGDXKRCMCAQMJA-CQSZACIVSA-N 1 0 297.355 1.466 20 5 CDBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cn2)CCCC1 ZINC000133268830 375740805 /nfs/dbraw/zinc/74/08/05/375740805.db2.gz VZSSXCHDAQNBDO-UHFFFAOYSA-N 1 0 265.317 1.671 20 5 CDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000357075148 375881962 /nfs/dbraw/zinc/88/19/62/375881962.db2.gz VIXIHUIUWQKDOO-QWHCGFSZSA-N 1 0 293.367 1.998 20 5 CDBDRO COc1cc(OC[C@H](O)C[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000357455260 375910878 /nfs/dbraw/zinc/91/08/78/375910878.db2.gz PWQSTUJDEZIVAK-LLVKDONJSA-N 1 0 296.323 1.437 20 5 CDBDRO [NH3+]C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000357973473 375942599 /nfs/dbraw/zinc/94/25/99/375942599.db2.gz WZLSUEDFOCMHDV-MASHWEEQSA-N 1 0 277.324 1.268 20 5 CDBDRO Cc1c(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000261739838 190043532 /nfs/dbraw/zinc/04/35/32/190043532.db2.gz RZTDJCQFWFOLMF-NWDGAFQWSA-N 1 0 289.335 1.585 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000262303517 190052517 /nfs/dbraw/zinc/05/25/17/190052517.db2.gz BVECKBKOJUVLEM-VHSXEESVSA-N 1 0 265.313 1.675 20 5 CDBDRO CCC[C@](C)([NH3+])C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000262327286 190053014 /nfs/dbraw/zinc/05/30/14/190053014.db2.gz UKVDRFDLUXLUAK-AWEZNQCLSA-N 1 0 294.355 1.640 20 5 CDBDRO COc1ccc(CNC(=O)C[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000429925283 247541310 /nfs/dbraw/zinc/54/13/10/247541310.db2.gz ZVLUFBDVMLVEOF-LLVKDONJSA-N 1 0 293.323 1.362 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000262465737 190055448 /nfs/dbraw/zinc/05/54/48/190055448.db2.gz YGFIDTCJKHEEKO-UWVGGRQHSA-N 1 0 265.313 1.237 20 5 CDBDRO C[C@@](C[NH3+])(NC(=O)c1cccc([N+](=O)[O-])c1N)C1CC1 ZINC000262613259 190059133 /nfs/dbraw/zinc/05/91/33/190059133.db2.gz FXONMRZQOSMYKZ-ZDUSSCGKSA-N 1 0 278.312 1.034 20 5 CDBDRO Cc1nc(NCC[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000296561015 376386277 /nfs/dbraw/zinc/38/62/77/376386277.db2.gz PMSXGAUCBLEBGO-UHFFFAOYSA-N 1 0 265.317 1.591 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000262816428 190063416 /nfs/dbraw/zinc/06/34/16/190063416.db2.gz PCVVYDWXQDHOTQ-KWQFWETISA-N 1 0 297.742 1.976 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000262854393 190063837 /nfs/dbraw/zinc/06/38/37/190063837.db2.gz SQBLFNDSSBAFGO-ZYHUDNBSSA-N 1 0 277.324 1.631 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000262844537 190064087 /nfs/dbraw/zinc/06/40/87/190064087.db2.gz RPLTYXHVGMPCIS-GWCFXTLKSA-N 1 0 277.324 1.631 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000262880723 190064217 /nfs/dbraw/zinc/06/42/17/190064217.db2.gz NJCOQCDMHKPLCH-VHSXEESVSA-N 1 0 292.339 1.356 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000262749835 190062155 /nfs/dbraw/zinc/06/21/55/190062155.db2.gz GKHFSSJAIAOTGH-GHMZBOCLSA-N 1 0 293.323 1.182 20 5 CDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000264468307 190111548 /nfs/dbraw/zinc/11/15/48/190111548.db2.gz FVFCUSXODHTNJN-LBPRGKRZSA-N 1 0 293.323 1.045 20 5 CDBDRO CN(CCCN1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000264605524 190122223 /nfs/dbraw/zinc/12/22/23/190122223.db2.gz CVTHZGYKLDXQQW-UHFFFAOYSA-N 1 0 292.383 1.669 20 5 CDBDRO C[C@@H]([NH3+])CCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000434695226 248129507 /nfs/dbraw/zinc/12/95/07/248129507.db2.gz YCFCJKYJCHKGNC-SNVBAGLBSA-N 1 0 277.324 1.607 20 5 CDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264767331 190133640 /nfs/dbraw/zinc/13/36/40/190133640.db2.gz NQXHGBMGKJSEDS-SNVBAGLBSA-N 1 0 280.328 1.527 20 5 CDBDRO CC[C@@H](O)C[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000266840559 377461362 /nfs/dbraw/zinc/46/13/62/377461362.db2.gz MFRIMQBLRHCATQ-GFCCVEGCSA-N 1 0 294.355 1.191 20 5 CDBDRO COC[C@@](C)([NH3+])CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000265069922 190155565 /nfs/dbraw/zinc/15/55/65/190155565.db2.gz WDOXFBYBFXSXPF-AWEZNQCLSA-N 1 0 290.323 1.919 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000266042232 190225987 /nfs/dbraw/zinc/22/59/87/190225987.db2.gz PVRWPBPJCPEMSE-UHFFFAOYSA-N 1 0 277.324 1.301 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CC[NH3+])C(F)F)c1 ZINC000383510390 378462634 /nfs/dbraw/zinc/46/26/34/378462634.db2.gz SGEAVHBVSDHDOV-VIFPVBQESA-N 1 0 287.266 1.616 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[NH+](C)C)c1 ZINC000266111426 190231328 /nfs/dbraw/zinc/23/13/28/190231328.db2.gz UGIBTPFYOMHTRT-SNVBAGLBSA-N 1 0 265.313 1.583 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H]2CCSC2)c1 ZINC000278569991 194049450 /nfs/dbraw/zinc/04/94/50/194049450.db2.gz XGOOCTCCCUJOAU-VIFPVBQESA-N 1 0 256.331 1.134 20 5 CDBDRO CC1(C)CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173739132 379030000 /nfs/dbraw/zinc/03/00/00/379030000.db2.gz COIQAIQRJBYKPU-LBPRGKRZSA-N 1 0 282.344 1.274 20 5 CDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCC[C@H]1CCC[NH2+]1 ZINC000444272146 250114748 /nfs/dbraw/zinc/11/47/48/250114748.db2.gz WXSMLQRGEYAZHR-LLVKDONJSA-N 1 0 292.339 1.265 20 5 CDBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NC1C[NH2+]C1 ZINC001580874610 1172557279 /nfs/dbraw/zinc/55/72/79/1172557279.db2.gz FPSJEGNSUKDHTJ-UHFFFAOYSA-N 1 0 261.203 1.997 20 5 CDBDRO CC(C)(C)[C@H](CO)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000278959972 194231652 /nfs/dbraw/zinc/23/16/52/194231652.db2.gz ZNOVQXRCZNGEBD-ZDUSSCGKSA-N 1 0 282.340 1.970 20 5 CDBDRO NC(=O)C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000266997013 190296038 /nfs/dbraw/zinc/29/60/38/190296038.db2.gz BLCOQRGVYFTASI-JTQLQIEISA-N 1 0 295.314 1.821 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CO)C1 ZINC000267022193 190298028 /nfs/dbraw/zinc/29/80/28/190298028.db2.gz KPLZBNDXOKDLTP-NSHDSACASA-N 1 0 280.324 1.808 20 5 CDBDRO C[NH+](C)[C@@]1(CNc2ncccc2[N+](=O)[O-])CCSC1 ZINC000267146599 190306642 /nfs/dbraw/zinc/30/66/42/190306642.db2.gz ZAYVFYSHRBBZLR-GFCCVEGCSA-N 1 0 282.369 1.839 20 5 CDBDRO COc1cc(C(=O)N[C@@H](C)[C@H](C)[NH3+])cc([N+](=O)[O-])c1OC ZINC000449595111 250923907 /nfs/dbraw/zinc/92/39/07/250923907.db2.gz ZUJNTIBGOYGLHT-YUMQZZPRSA-N 1 0 297.311 1.078 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000449707163 250978740 /nfs/dbraw/zinc/97/87/40/250978740.db2.gz CVLJZJIZUPOOAE-MNOVXSKESA-N 1 0 293.323 1.217 20 5 CDBDRO CC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(=O)NC ZINC000449770636 251009285 /nfs/dbraw/zinc/00/92/85/251009285.db2.gz GBRTXEUUDYNBDC-WMADIVHISA-N 1 0 277.324 1.722 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000452572894 252099655 /nfs/dbraw/zinc/09/96/55/252099655.db2.gz LBWNESAKAWZVMN-UHIISALHSA-N 1 0 291.351 1.970 20 5 CDBDRO Cc1nn(C)c(NC2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC000051694005 184566643 /nfs/dbraw/zinc/56/66/43/184566643.db2.gz FSNHQVQOAKVTSD-UHFFFAOYSA-N 1 0 253.306 1.319 20 5 CDBDRO C[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000453405854 252313240 /nfs/dbraw/zinc/31/32/40/252313240.db2.gz QPPJBKNLGSAHDS-IINYFYTJSA-N 1 0 277.324 1.914 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2C[C@@H](O)C2)n1 ZINC000453347315 252303178 /nfs/dbraw/zinc/30/31/78/252303178.db2.gz BOIDMBNMNTWNTJ-WHOHXGKFSA-N 1 0 280.328 1.388 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000487466382 252892842 /nfs/dbraw/zinc/89/28/42/252892842.db2.gz XOBQCVBONGJMBI-VHSXEESVSA-N 1 0 280.328 1.526 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc(N3CCC[NH2+]CC3)n2)cc1 ZINC000420161383 285106228 /nfs/dbraw/zinc/10/62/28/285106228.db2.gz JQDXVFFPILCXSI-UHFFFAOYSA-N 1 0 289.295 1.445 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000288450638 197081071 /nfs/dbraw/zinc/08/10/71/197081071.db2.gz CZBFWIYQTAJJEN-GXFFZTMASA-N 1 0 298.364 1.426 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C)[NH+](C)C ZINC000288244538 197035442 /nfs/dbraw/zinc/03/54/42/197035442.db2.gz XEZMIUJJGJLEGV-QMMMGPOBSA-N 1 0 255.322 1.482 20 5 CDBDRO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000094339948 184783996 /nfs/dbraw/zinc/78/39/96/184783996.db2.gz BIUJJYAWCKMIQI-GWCFXTLKSA-N 1 0 277.324 1.333 20 5 CDBDRO C[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000094340194 184784262 /nfs/dbraw/zinc/78/42/62/184784262.db2.gz QPBXYPNXBYFSNM-VPPSXGLOSA-N 1 0 289.335 1.804 20 5 CDBDRO CN(CCn1ccc([N+](=O)[O-])n1)CC1([NH+](C)C)CCC1 ZINC000186931644 390157172 /nfs/dbraw/zinc/15/71/72/390157172.db2.gz MSVVVHUGHUFYNA-UHFFFAOYSA-N 1 0 281.360 1.207 20 5 CDBDRO Cc1cnc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000261605196 390476439 /nfs/dbraw/zinc/47/64/39/390476439.db2.gz REXHDURKHCJCOM-MNOVXSKESA-N 1 0 262.313 1.344 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261583205 390484085 /nfs/dbraw/zinc/48/40/85/390484085.db2.gz HBWOENIBMYIHNQ-JQWIXIFHSA-N 1 0 262.313 1.486 20 5 CDBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000451501656 390628687 /nfs/dbraw/zinc/62/86/87/390628687.db2.gz OUXYPRJYFUOEMI-MVWJERBFSA-N 1 0 282.344 1.440 20 5 CDBDRO CN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000179059455 390938635 /nfs/dbraw/zinc/93/86/35/390938635.db2.gz ZJCNUGMEYWWGFW-NSHDSACASA-N 1 0 292.339 1.217 20 5 CDBDRO COc1cc(CN(C)CC[NH3+])c([N+](=O)[O-])cc1OC ZINC000415116362 391036163 /nfs/dbraw/zinc/03/61/63/391036163.db2.gz XVKSOZFPSVEABO-UHFFFAOYSA-N 1 0 269.301 1.003 20 5 CDBDRO Cc1cc(NC(=O)NC(C)(C)C[NH3+])ccc1[N+](=O)[O-] ZINC000415413258 391145012 /nfs/dbraw/zinc/14/50/12/391145012.db2.gz DMFWPCTWTSBNQC-UHFFFAOYSA-N 1 0 266.301 1.762 20 5 CDBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2F)CCOCC1 ZINC000413142967 391165734 /nfs/dbraw/zinc/16/57/34/391165734.db2.gz OHWFFNKAMNZSCH-UHFFFAOYSA-N 1 0 298.318 1.652 20 5 CDBDRO C[NH2+]CCCN(C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000415134534 391259793 /nfs/dbraw/zinc/25/97/93/391259793.db2.gz OUKQJCANSOWLFZ-UHFFFAOYSA-N 1 0 297.355 1.653 20 5 CDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC([NH3+])CC1 ZINC000430606748 391201940 /nfs/dbraw/zinc/20/19/40/391201940.db2.gz APGOLWZCWGVPGS-SNVBAGLBSA-N 1 0 292.339 1.345 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000415419032 391407496 /nfs/dbraw/zinc/40/74/96/391407496.db2.gz PRVRSXXSQUZWEB-VIFPVBQESA-N 1 0 266.301 1.762 20 5 CDBDRO CCC[NH+]1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000048894120 391377296 /nfs/dbraw/zinc/37/72/96/391377296.db2.gz OEWKKWTWMLULRD-UHFFFAOYSA-N 1 0 267.333 1.169 20 5 CDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000382469339 391379713 /nfs/dbraw/zinc/37/97/13/391379713.db2.gz OUDMURQSZJZTJX-DTWKUNHWSA-N 1 0 281.287 1.591 20 5 CDBDRO O=C1C[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000568040990 391572863 /nfs/dbraw/zinc/57/28/63/391572863.db2.gz JUEUOSQSDXYYOR-LBPRGKRZSA-N 1 0 289.335 1.695 20 5 CDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000354004489 391733757 /nfs/dbraw/zinc/73/37/57/391733757.db2.gz BTLFSUYXFHPCPE-NSHDSACASA-N 1 0 277.324 1.761 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)CCCC[NH3+] ZINC000495143064 391905433 /nfs/dbraw/zinc/90/54/33/391905433.db2.gz XDOUITLXVXEOBS-SECBINFHSA-N 1 0 280.328 1.546 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NC1CC1 ZINC000459550274 392462856 /nfs/dbraw/zinc/46/28/56/392462856.db2.gz HUBPBOHTEFUDSZ-JTQLQIEISA-N 1 0 277.324 1.394 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000521224471 392866745 /nfs/dbraw/zinc/86/67/45/392866745.db2.gz QXRXHPZECNTGDG-UHFFFAOYSA-N 1 0 294.355 1.536 20 5 CDBDRO CNc1ccc(C(=O)N(C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000521872925 392869845 /nfs/dbraw/zinc/86/98/45/392869845.db2.gz OGBHGYWLOMOAKH-UHFFFAOYSA-N 1 0 292.339 1.461 20 5 CDBDRO C[C@H](CN)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423327011 392962978 /nfs/dbraw/zinc/96/29/78/392962978.db2.gz NHIWLSXCJXKUGN-GMTAPVOTSA-N 1 0 267.333 1.212 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000423639830 392965239 /nfs/dbraw/zinc/96/52/39/392965239.db2.gz FYIFXVJIOTXQBI-JOYOIKCWSA-N 1 0 293.323 1.555 20 5 CDBDRO COCC1([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000532213252 393068997 /nfs/dbraw/zinc/06/89/97/393068997.db2.gz VHCNUYDPFLLZNH-UHFFFAOYSA-N 1 0 266.297 1.872 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)N(C)C ZINC000449107130 393129950 /nfs/dbraw/zinc/12/99/50/393129950.db2.gz OLXKPEWVHTZFSQ-NSHDSACASA-N 1 0 279.340 1.594 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000449275689 393132257 /nfs/dbraw/zinc/13/22/57/393132257.db2.gz ODZGIXRQWIKEMU-QMTHXVAHSA-N 1 0 289.335 1.335 20 5 CDBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@H]1C ZINC000487953360 393354882 /nfs/dbraw/zinc/35/48/82/393354882.db2.gz KGURUPFPXYDFCJ-TZMCWYRMSA-N 1 0 296.371 1.928 20 5 CDBDRO CNC(=O)c1ccc(NC2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000212617588 140159744 /nfs/dbraw/zinc/15/97/44/140159744.db2.gz RQJZGLHJXQDJRA-UHFFFAOYSA-N 1 0 292.339 1.636 20 5 CDBDRO Cc1cc(NC[C@@](C)(O)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000228669543 140197126 /nfs/dbraw/zinc/19/71/26/140197126.db2.gz OZCYGPUIRZTAFR-CYBMUJFWSA-N 1 0 267.329 1.628 20 5 CDBDRO CC1(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000229621367 140203874 /nfs/dbraw/zinc/20/38/74/140203874.db2.gz QDHNRCCHTJCVHR-UHFFFAOYSA-N 1 0 281.287 1.606 20 5 CDBDRO Cc1c(CNC(=O)C[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000231856079 140219643 /nfs/dbraw/zinc/21/96/43/140219643.db2.gz AAJZBQMMZGOQRA-MRVPVSSYSA-N 1 0 251.286 1.257 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H](C[NH2+]C)C1 ZINC000261732310 140380958 /nfs/dbraw/zinc/38/09/58/140380958.db2.gz LHMWEIKYVHZWJM-LLVKDONJSA-N 1 0 281.360 1.555 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000261785842 140389414 /nfs/dbraw/zinc/38/94/14/140389414.db2.gz XICWYGKPXORGFU-OASPWFOLSA-N 1 0 290.323 1.796 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261816149 140393947 /nfs/dbraw/zinc/39/39/47/140393947.db2.gz STINNDOWOXUGHP-ZWNOBZJWSA-N 1 0 279.315 1.918 20 5 CDBDRO Cc1cc(S(=O)(=O)NCC2([NH3+])CCC2)ccc1[N+](=O)[O-] ZINC000342529394 140640473 /nfs/dbraw/zinc/64/04/73/140640473.db2.gz PUQUGFHDYGTARX-UHFFFAOYSA-N 1 0 299.352 1.063 20 5 CDBDRO C[C@@H]1OCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000120997099 147355557 /nfs/dbraw/zinc/35/55/57/147355557.db2.gz DVWMANHUKAVPMI-GXFFZTMASA-N 1 0 250.298 1.904 20 5 CDBDRO [NH3+]CC1(CC(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000423205055 397602971 /nfs/dbraw/zinc/60/29/71/397602971.db2.gz VEJSCZNRSXIGNO-UHFFFAOYSA-N 1 0 275.308 1.613 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC([NH3+])CC1 ZINC000092713887 147022191 /nfs/dbraw/zinc/02/21/91/147022191.db2.gz KWTZWBUNCJYLBH-UHFFFAOYSA-N 1 0 292.339 1.265 20 5 CDBDRO C[NH+](C)CCC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176248725 148032556 /nfs/dbraw/zinc/03/25/56/148032556.db2.gz ZTUAJFOWCQHVAC-UHFFFAOYSA-N 1 0 295.387 1.455 20 5 CDBDRO C[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1C ZINC000246118648 148725548 /nfs/dbraw/zinc/72/55/48/148725548.db2.gz CSZXWNOYANGEHE-MNOVXSKESA-N 1 0 252.318 1.912 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(CC[NH2+]C)CC1 ZINC000261792386 148984554 /nfs/dbraw/zinc/98/45/54/148984554.db2.gz XWWZODVTJWRPCR-UHFFFAOYSA-N 1 0 295.387 1.946 20 5 CDBDRO [NH3+]CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000262690687 149096943 /nfs/dbraw/zinc/09/69/43/149096943.db2.gz AGBMBIIJFOBVDL-UHFFFAOYSA-N 1 0 265.313 1.397 20 5 CDBDRO C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000305729104 149146862 /nfs/dbraw/zinc/14/68/62/149146862.db2.gz MRHMQBAASYSSMG-MDZLAQPJSA-N 1 0 282.344 1.130 20 5 CDBDRO C[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000305729105 149147412 /nfs/dbraw/zinc/14/74/12/149147412.db2.gz MRHMQBAASYSSMG-NQBHXWOUSA-N 1 0 282.344 1.130 20 5 CDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[N@@H+]1CCC[C@H](C)C1 ZINC000343082024 152024861 /nfs/dbraw/zinc/02/48/61/152024861.db2.gz WBZLLASSTRUARF-WDEREUQCSA-N 1 0 294.355 1.773 20 5 CDBDRO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)CCC[N@@H+]1C ZINC000343561356 152225195 /nfs/dbraw/zinc/22/51/95/152225195.db2.gz QAFCSVZZOWIHAN-BDAKNGLRSA-N 1 0 267.285 1.400 20 5 CDBDRO COc1ccc(C[N@H+](C)[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000352679391 155357982 /nfs/dbraw/zinc/35/79/82/155357982.db2.gz ZRPWMUOOLUCUKQ-WCQYABFASA-N 1 0 280.324 1.949 20 5 CDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1O ZINC000352697643 155374424 /nfs/dbraw/zinc/37/44/24/155374424.db2.gz LQHVGLBALJWPFJ-KBPBESRZSA-N 1 0 280.324 1.819 20 5 CDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH3+])C1 ZINC000346080467 153045484 /nfs/dbraw/zinc/04/54/84/153045484.db2.gz DAJBCWCJVXYGCW-GHMZBOCLSA-N 1 0 292.339 1.345 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000346149699 153072163 /nfs/dbraw/zinc/07/21/63/153072163.db2.gz YAMVINXWDVTHJT-QMMMGPOBSA-N 1 0 269.276 1.414 20 5 CDBDRO C[C@@H](CO)[N@@H+]1CCCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000346673669 153266916 /nfs/dbraw/zinc/26/69/16/153266916.db2.gz VMGZFRCWFUMILA-NSHDSACASA-N 1 0 299.396 1.545 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@](C)(C[NH3+])C2)c1 ZINC000261762859 292282914 /nfs/dbraw/zinc/28/29/14/292282914.db2.gz NYJKHEFHQBAGEV-CQSZACIVSA-N 1 0 277.324 1.714 20 5 CDBDRO Cc1ccc(NC(=O)CCOC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000349063694 154042273 /nfs/dbraw/zinc/04/22/73/154042273.db2.gz ZJWIJTJCFPQPRJ-UHFFFAOYSA-N 1 0 279.296 1.220 20 5 CDBDRO Cc1ccc(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000375248201 160357388 /nfs/dbraw/zinc/35/73/88/160357388.db2.gz DMGPBAKGJVMEKU-FZMZJTMJSA-N 1 0 275.308 1.841 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](n3cncn3)C2)cc1 ZINC000375329781 160368649 /nfs/dbraw/zinc/36/86/49/160368649.db2.gz WGWQXEONIPSPCQ-ZDUSSCGKSA-N 1 0 273.296 1.633 20 5 CDBDRO CC[NH+]1CCC(N(C)c2c([N+](=O)[O-])ncn2C)CC1 ZINC000354037266 156236071 /nfs/dbraw/zinc/23/60/71/156236071.db2.gz CPIUVIGNZDYJBN-UHFFFAOYSA-N 1 0 267.333 1.249 20 5 CDBDRO Cc1ccc(C[N@@H+](C)CCNC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000354195925 156319758 /nfs/dbraw/zinc/31/97/58/156319758.db2.gz UUQQGTSTGSAKHW-UHFFFAOYSA-N 1 0 294.355 1.606 20 5 CDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000359254182 158184346 /nfs/dbraw/zinc/18/43/46/158184346.db2.gz ZLYAHMXGIJKBHC-SECBINFHSA-N 1 0 283.353 1.870 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCNC1=O ZINC000362201131 159096229 /nfs/dbraw/zinc/09/62/29/159096229.db2.gz UAOJKJVPKLHZIS-GFCCVEGCSA-N 1 0 263.297 1.305 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+](CCO)CC2CCCCC2)c1 ZINC000362579614 159185073 /nfs/dbraw/zinc/18/50/73/159185073.db2.gz IBQFNJTYUSTLNK-UHFFFAOYSA-N 1 0 296.371 1.666 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000363618956 159334294 /nfs/dbraw/zinc/33/42/94/159334294.db2.gz GBIKYIODKKXGMD-OLZOCXBDSA-N 1 0 289.335 1.951 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)n1 ZINC000372154811 160085665 /nfs/dbraw/zinc/08/56/65/160085665.db2.gz IBRZFNMYDZBNDT-NWDGAFQWSA-N 1 0 280.328 1.150 20 5 CDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]C1 ZINC000178390470 163755309 /nfs/dbraw/zinc/75/53/09/163755309.db2.gz QRSYYTXETRSURA-LLVKDONJSA-N 1 0 292.339 1.265 20 5 CDBDRO C[NH+](C)CCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000006125829 170177937 /nfs/dbraw/zinc/17/79/37/170177937.db2.gz WEMJVVKBVQBSJF-UHFFFAOYSA-N 1 0 285.731 1.930 20 5 CDBDRO CO[C@H](C)C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285704350 196373175 /nfs/dbraw/zinc/37/31/75/196373175.db2.gz ONGLHRQNXURQHK-ZWNOBZJWSA-N 1 0 268.313 1.595 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]C1 ZINC000044501932 175185777 /nfs/dbraw/zinc/18/57/77/175185777.db2.gz IMDHZVHGWORFFM-NSHDSACASA-N 1 0 277.324 1.253 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000044747925 175243705 /nfs/dbraw/zinc/24/37/05/175243705.db2.gz QVKRAEFRXDIVFE-GFCCVEGCSA-N 1 0 291.351 1.975 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[NH2+]CC1 ZINC000061270863 175643094 /nfs/dbraw/zinc/64/30/94/175643094.db2.gz GIEORDFADDPFPF-UHFFFAOYSA-N 1 0 292.339 1.137 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000071397138 176150981 /nfs/dbraw/zinc/15/09/81/176150981.db2.gz GSPYEXKZOIKSDQ-SECBINFHSA-N 1 0 283.715 1.730 20 5 CDBDRO COCC(C)(C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000076494495 177028693 /nfs/dbraw/zinc/02/86/93/177028693.db2.gz QXGPPQPCGGXMTE-UHFFFAOYSA-N 1 0 268.313 1.988 20 5 CDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ncccc1[N+](=O)[O-] ZINC000078543597 177352371 /nfs/dbraw/zinc/35/23/71/177352371.db2.gz FLUCKOQQBLDZEE-LLVKDONJSA-N 1 0 279.344 1.038 20 5 CDBDRO CC(C)NC(=O)NCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000517365406 260155356 /nfs/dbraw/zinc/15/53/56/260155356.db2.gz BNYNUIPFLJCNOY-LLVKDONJSA-N 1 0 294.355 1.953 20 5 CDBDRO Cc1cc(C(=O)N[C@@H](C)[C@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000394497896 261099475 /nfs/dbraw/zinc/09/94/75/261099475.db2.gz XNBLJEHWVDLEKY-IUCAKERBSA-N 1 0 251.286 1.369 20 5 CDBDRO CCN(CCO)CC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000184542342 270253194 /nfs/dbraw/zinc/25/31/94/270253194.db2.gz GDFMCMPOYDXWPG-UHFFFAOYSA-N 1 0 297.355 1.007 20 5 CDBDRO C[C@@H](NC(=O)[C@H]([NH3+])C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000399016700 270366222 /nfs/dbraw/zinc/36/62/22/270366222.db2.gz GFRZPZPMIIVNRR-NOZJJQNGSA-N 1 0 277.324 1.899 20 5 CDBDRO C[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[NH2+]1 ZINC000052783456 274368915 /nfs/dbraw/zinc/36/89/15/274368915.db2.gz DIMKZPNDAKKTCE-SSDOTTSWSA-N 1 0 267.314 1.102 20 5 CDBDRO Nc1c(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000262605870 274952992 /nfs/dbraw/zinc/95/29/92/274952992.db2.gz BRDVDOVONJQVKB-PSASIEDQSA-N 1 0 278.312 1.034 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261582978 275033593 /nfs/dbraw/zinc/03/35/93/275033593.db2.gz HAQNUTAENVXGHZ-GFCCVEGCSA-N 1 0 282.731 1.833 20 5 CDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000359226400 276032841 /nfs/dbraw/zinc/03/28/41/276032841.db2.gz MNDMCKRZERTTGZ-LLVKDONJSA-N 1 0 292.339 1.512 20 5 CDBDRO CC(C)c1n[nH]c(C(=O)N[C@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000269486791 276041856 /nfs/dbraw/zinc/04/18/56/276041856.db2.gz XACZJUKQAUISHZ-SECBINFHSA-N 1 0 297.359 1.511 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000044572496 276105192 /nfs/dbraw/zinc/10/51/92/276105192.db2.gz OGEDXCWGUHZPFK-SNVBAGLBSA-N 1 0 294.355 1.836 20 5 CDBDRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000291998440 277248950 /nfs/dbraw/zinc/24/89/50/277248950.db2.gz XLKBIDQSZOGCJC-TVQRCGJNSA-N 1 0 277.324 1.696 20 5 CDBDRO C[NH2+]CCN(C)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000420227873 277270985 /nfs/dbraw/zinc/27/09/85/277270985.db2.gz PJCOWIFOMOYLLZ-UHFFFAOYSA-N 1 0 260.297 1.799 20 5 CDBDRO C[NH2+]CCN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423242846 277272651 /nfs/dbraw/zinc/27/26/51/277272651.db2.gz JKKNELRIMUIFHP-MNOVXSKESA-N 1 0 267.333 1.084 20 5 CDBDRO C[C@@H](CN)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423368530 278251072 /nfs/dbraw/zinc/25/10/72/278251072.db2.gz NHIWLSXCJXKUGN-DCAQKATOSA-N 1 0 267.333 1.212 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000070175034 278317755 /nfs/dbraw/zinc/31/77/55/278317755.db2.gz HEPCPHJDXGTWHR-KOLCDFICSA-N 1 0 292.339 1.257 20 5 CDBDRO Cc1cnc(N2CCC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000090692563 279015029 /nfs/dbraw/zinc/01/50/29/279015029.db2.gz QWZPLBOKRXUKIO-SNVBAGLBSA-N 1 0 250.302 1.473 20 5 CDBDRO C[C@@H]([NH3+])C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000119861606 279373096 /nfs/dbraw/zinc/37/30/96/279373096.db2.gz GOENIQKUSWSISQ-MRVPVSSYSA-N 1 0 251.286 1.293 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CN)C1CC1 ZINC000423286175 279382217 /nfs/dbraw/zinc/38/22/17/279382217.db2.gz ZTSJUMKNSHMAGU-MFKMUULPSA-N 1 0 263.341 1.853 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063201169 279385173 /nfs/dbraw/zinc/38/51/73/279385173.db2.gz QSOFALZWKRNBFV-LLVKDONJSA-N 1 0 279.344 1.297 20 5 CDBDRO CC(C)(NC(=O)C[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000130089599 279628456 /nfs/dbraw/zinc/62/84/56/279628456.db2.gz LXFCNGHRIOYLFW-NSHDSACASA-N 1 0 291.351 1.946 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000212555678 280087026 /nfs/dbraw/zinc/08/70/26/280087026.db2.gz NCFJHICIVGXZDX-MCTUQULKSA-N 1 0 289.335 1.817 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000216997384 280087999 /nfs/dbraw/zinc/08/79/99/280087999.db2.gz OGFNBVNFNWNYRV-QDZRJHCZSA-N 1 0 277.324 1.708 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC2(CC[NH2+]C2)CC1 ZINC000521010237 281065791 /nfs/dbraw/zinc/06/57/91/281065791.db2.gz XWYFUGVGWHOCRC-UHFFFAOYSA-N 1 0 276.340 1.878 20 5 CDBDRO Cc1nc(N2C[C@H](C)[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000250954286 281945806 /nfs/dbraw/zinc/94/58/06/281945806.db2.gz QQOVLSYCCKAFNN-DTWKUNHWSA-N 1 0 250.302 1.485 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000261625324 289162057 /nfs/dbraw/zinc/16/20/57/289162057.db2.gz AQVZYFLIDCCHHF-ZDUSSCGKSA-N 1 0 281.287 1.545 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1(C2CC2)CC1 ZINC000542524379 289547788 /nfs/dbraw/zinc/54/77/88/289547788.db2.gz YUUVHFVBULZDMB-LBPRGKRZSA-N 1 0 292.335 1.867 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000565004883 293487752 /nfs/dbraw/zinc/48/77/52/293487752.db2.gz QRFGHQRYTMYELC-UWVGGRQHSA-N 1 0 297.380 1.929 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000565646817 293653465 /nfs/dbraw/zinc/65/34/65/293653465.db2.gz LFGDJLBZZQGKLW-SNVBAGLBSA-N 1 0 280.328 1.521 20 5 CDBDRO CNc1ccc(C(=O)N2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000567837218 293884779 /nfs/dbraw/zinc/88/47/79/293884779.db2.gz ARGNYHFVFTYZMK-CQSZACIVSA-N 1 0 292.339 1.447 20 5 CDBDRO CC(C)Oc1nc(N2CCC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000568782721 294102897 /nfs/dbraw/zinc/10/28/97/294102897.db2.gz YNMDMVNNDFFBFJ-UHFFFAOYSA-N 1 0 294.355 1.919 20 5 CDBDRO C[C@@H](C(=O)N(C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000569171041 294169513 /nfs/dbraw/zinc/16/95/13/294169513.db2.gz NANJYZHGFHZSSU-LLVKDONJSA-N 1 0 279.340 1.718 20 5 CDBDRO [NH3+]C1(CNC(=O)NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000570501148 294250440 /nfs/dbraw/zinc/25/04/40/294250440.db2.gz NAVVRLJNALSYIH-UHFFFAOYSA-N 1 0 278.312 1.275 20 5 CDBDRO [NH3+][C@@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000236306929 295318853 /nfs/dbraw/zinc/31/88/53/295318853.db2.gz VCRQZZHBKDTGBR-ZCFIWIBFSA-N 1 0 276.218 1.546 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261605000 302038483 /nfs/dbraw/zinc/03/84/83/302038483.db2.gz CSQVMTRTBSCVPO-NEPJUHHUSA-N 1 0 289.335 1.585 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000408364156 303020220 /nfs/dbraw/zinc/02/02/20/303020220.db2.gz HTFFTRCNDBBWPO-GHMZBOCLSA-N 1 0 279.344 1.249 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000089091655 303407278 /nfs/dbraw/zinc/40/72/78/303407278.db2.gz YDSPLTFXCYAVJH-UWVGGRQHSA-N 1 0 299.352 1.001 20 5 CDBDRO CC/C=C/C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000563529889 316325174 /nfs/dbraw/zinc/32/51/74/316325174.db2.gz KCSSHNPSZLCBJK-ITDFMYJTSA-N 1 0 280.324 1.890 20 5 CDBDRO CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000567029575 316723910 /nfs/dbraw/zinc/72/39/10/316723910.db2.gz YEXWWJUQOJNTKW-JTQLQIEISA-N 1 0 282.275 1.560 20 5 CDBDRO O=c1c(Cl)cc([N+](=O)[O-])cn1CC[C@@H]1CC[NH2+]C1 ZINC000570082188 316908433 /nfs/dbraw/zinc/90/84/33/316908433.db2.gz UAHWMIUCNGBYJN-QMMMGPOBSA-N 1 0 271.704 1.410 20 5 CDBDRO C[C@H]([NH2+]C1CC1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000577488519 317338989 /nfs/dbraw/zinc/33/89/89/317338989.db2.gz BFOMGWHLOIPTSW-JTQLQIEISA-N 1 0 293.323 1.230 20 5 CDBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000182037120 323259404 /nfs/dbraw/zinc/25/94/04/323259404.db2.gz ZGAHNTZUBWDCCO-QWHCGFSZSA-N 1 0 296.371 1.975 20 5 CDBDRO COC[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccco1 ZINC000184531789 323364874 /nfs/dbraw/zinc/36/48/74/323364874.db2.gz RBFNLBCHAOWRPX-SNVBAGLBSA-N 1 0 280.284 1.362 20 5 CDBDRO COc1ccc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000382422754 323639322 /nfs/dbraw/zinc/63/93/22/323639322.db2.gz CKJVTOQJRADATP-ONGXEEELSA-N 1 0 293.323 1.461 20 5 CDBDRO [NH3+]CC[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(F)F ZINC000383437306 323667261 /nfs/dbraw/zinc/66/72/61/323667261.db2.gz DSAWYBJRLDRLEE-SGUJLRQBSA-N 1 0 299.277 1.707 20 5 CDBDRO CC(C)Oc1nc(NCC(C)(C)[NH3+])ccc1[N+](=O)[O-] ZINC000580565693 324501076 /nfs/dbraw/zinc/50/10/76/324501076.db2.gz OUHFNKHDJBBSSU-UHFFFAOYSA-N 1 0 268.317 1.348 20 5 CDBDRO O=C(CC[NH2+]CC1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000581066534 324639292 /nfs/dbraw/zinc/63/92/92/324639292.db2.gz OGPROPHIJHHSKZ-UHFFFAOYSA-N 1 0 263.297 1.923 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[NH2+]1 ZINC000583614016 325208488 /nfs/dbraw/zinc/20/84/88/325208488.db2.gz OBUGAIQGCPNLSH-NSHDSACASA-N 1 0 278.312 1.146 20 5 CDBDRO C[C@@H]([N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000295211006 534285510 /nfs/dbraw/zinc/28/55/10/534285510.db2.gz UQWBUFKBMFAJNQ-ZWNOBZJWSA-N 1 0 282.340 1.719 20 5 CDBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000156671605 519613226 /nfs/dbraw/zinc/61/32/26/519613226.db2.gz KOSGUEXSWPAOFT-ZDUSSCGKSA-N 1 0 291.351 1.895 20 5 CDBDRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000155448749 521946187 /nfs/dbraw/zinc/94/61/87/521946187.db2.gz RXUVXBGLXIZDDD-HZMBPMFUSA-N 1 0 291.351 1.853 20 5 CDBDRO C[NH2+][C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000234419658 522388469 /nfs/dbraw/zinc/38/84/69/522388469.db2.gz XXJVRYHLIFBMJD-MRVPVSSYSA-N 1 0 270.720 1.831 20 5 CDBDRO COCC[NH2+]CCNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000227861068 523938454 /nfs/dbraw/zinc/93/84/54/523938454.db2.gz BGHRLGPAGPSMKE-UHFFFAOYSA-N 1 0 287.291 1.390 20 5 CDBDRO COc1ccc(C[NH2+][C@H](C)Cn2cccn2)cc1[N+](=O)[O-] ZINC000049076298 524089174 /nfs/dbraw/zinc/08/91/74/524089174.db2.gz ZLPWAWVMSILRJD-LLVKDONJSA-N 1 0 290.323 1.978 20 5 CDBDRO C[C@@H]([NH2+]CC(=O)NC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000035140842 525408852 /nfs/dbraw/zinc/40/88/52/525408852.db2.gz IDTFEPQDXYWGRO-SECBINFHSA-N 1 0 263.297 1.524 20 5 CDBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000247077042 525773278 /nfs/dbraw/zinc/77/32/78/525773278.db2.gz GUWJGRATUCMPAO-OLZOCXBDSA-N 1 0 293.367 1.482 20 5 CDBDRO CC(C)O[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000185246363 534911863 /nfs/dbraw/zinc/91/18/63/534911863.db2.gz VCQLWZNJKPYIGH-QWHCGFSZSA-N 1 0 296.371 1.973 20 5 CDBDRO [NH3+]CC[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000070149052 527193525 /nfs/dbraw/zinc/19/35/25/527193525.db2.gz OPRKHUIAOGRQNW-CYBMUJFWSA-N 1 0 291.351 1.867 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(NC[C@@H]3C[NH2+]CCO3)ccc2c1 ZINC000157397745 527381766 /nfs/dbraw/zinc/38/17/66/527381766.db2.gz LKDYDXLLSUMOST-LBPRGKRZSA-N 1 0 288.307 1.543 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(CO)CCOCC2)c1 ZINC000069248283 527386538 /nfs/dbraw/zinc/38/65/38/527386538.db2.gz QZIMJKPOLUWFKV-UHFFFAOYSA-N 1 0 266.297 1.226 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000307914170 527790937 /nfs/dbraw/zinc/79/09/37/527790937.db2.gz NQAPTRKSZOXVCB-YBJDMEARSA-N 1 0 289.335 1.865 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)CCC[NH2+]C)c1 ZINC000424025335 535425846 /nfs/dbraw/zinc/42/58/46/535425846.db2.gz ZBNQIHQGWMQIRP-UHFFFAOYSA-N 1 0 295.339 1.675 20 5 CDBDRO CC[NH2+]CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000418324323 535468456 /nfs/dbraw/zinc/46/84/56/535468456.db2.gz GPRYXWIFOQENPM-UHFFFAOYSA-N 1 0 294.355 1.739 20 5 CDBDRO CCc1nn(C)c(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000091559873 536182841 /nfs/dbraw/zinc/18/28/41/536182841.db2.gz MASNUNLULSBQRD-NWDGAFQWSA-N 1 0 293.371 1.929 20 5 CDBDRO C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000424056837 536345701 /nfs/dbraw/zinc/34/57/01/536345701.db2.gz ILBCTJWWZGMFBR-UHFFFAOYSA-N 1 0 268.292 1.822 20 5 CDBDRO COC[C@@](C)([NH3+])CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000733895839 575145070 /nfs/dbraw/zinc/14/50/70/575145070.db2.gz NIXOLUCKOBZGMP-LBPRGKRZSA-N 1 0 296.352 1.980 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CO)C2CC2)cc1 ZINC000763066270 576707494 /nfs/dbraw/zinc/70/74/94/576707494.db2.gz JDSZGPCCVFBFNR-CYBMUJFWSA-N 1 0 250.298 1.498 20 5 CDBDRO Cc1ccc(CNC(=O)N[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000892002251 617401404 /nfs/dbraw/zinc/40/14/04/617401404.db2.gz MTFGXNHTJISVHO-NSHDSACASA-N 1 0 278.312 1.064 20 5 CDBDRO CC(C)[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278866 614399450 /nfs/dbraw/zinc/39/94/50/614399450.db2.gz UFTZUTBCKFFDJS-GBOPCIDUSA-N 1 0 295.383 1.230 20 5 CDBDRO CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000982942006 614949610 /nfs/dbraw/zinc/94/96/10/614949610.db2.gz QPNVPILPBMERSL-JOCQHMNTSA-N 1 0 291.351 1.989 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000892175642 617528089 /nfs/dbraw/zinc/52/80/89/617528089.db2.gz OLJPXDZEXUIERZ-LLVKDONJSA-N 1 0 294.355 1.965 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1CCN[C@H]1C[NH2+]CCOC1 ZINC000925628158 617576077 /nfs/dbraw/zinc/57/60/77/617576077.db2.gz GMTGLXSGLAVAEJ-LBPRGKRZSA-N 1 0 299.758 1.369 20 5 CDBDRO CC(C)(COC(=O)C1CC[NH+](C2CC2)CC1)[N+](=O)[O-] ZINC000851129711 617576236 /nfs/dbraw/zinc/57/62/36/617576236.db2.gz PANABULQNKKVBR-UHFFFAOYSA-N 1 0 270.329 1.459 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000891886589 617718501 /nfs/dbraw/zinc/71/85/01/617718501.db2.gz NTYZTEYBIGBSOK-NSHDSACASA-N 1 0 279.344 1.393 20 5 CDBDRO COC(=O)C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000934032878 617877958 /nfs/dbraw/zinc/87/79/58/617877958.db2.gz UAYIDBGLVUCBJZ-JTQLQIEISA-N 1 0 298.343 1.359 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000892982675 618019488 /nfs/dbraw/zinc/01/94/88/618019488.db2.gz AOVSMXUTHJDBSP-LBPRGKRZSA-N 1 0 293.371 1.496 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000893964378 618224816 /nfs/dbraw/zinc/22/48/16/618224816.db2.gz PYAWEBLHWSEFGG-CQSZACIVSA-N 1 0 292.339 1.530 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000894357644 618817997 /nfs/dbraw/zinc/81/79/97/618817997.db2.gz YLRVPILOCCLCII-ZJUUUORDSA-N 1 0 267.333 1.469 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000894435989 618886005 /nfs/dbraw/zinc/88/60/05/618886005.db2.gz GMMAUDNJCSXNDG-QWRGUYRKSA-N 1 0 279.344 1.757 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@H](C)[C@H](C)OC)c1[N+](=O)[O-] ZINC000894551909 618960723 /nfs/dbraw/zinc/96/07/23/618960723.db2.gz BBVUHASBQPGFLC-BDAKNGLRSA-N 1 0 284.312 1.822 20 5 CDBDRO COc1cc(C[NH2+]C[C@@H]2COCO2)c([N+](=O)[O-])cc1OC ZINC000894869600 619111491 /nfs/dbraw/zinc/11/14/91/619111491.db2.gz CNZSGVZNYGBCLI-SNVBAGLBSA-N 1 0 298.295 1.075 20 5 CDBDRO COc1c(O)ccc(C[N@H+](C)[C@@H](C)CCO)c1[N+](=O)[O-] ZINC000895184312 619437630 /nfs/dbraw/zinc/43/76/30/619437630.db2.gz CHOCTMOBAWMZHW-VIFPVBQESA-N 1 0 284.312 1.512 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841011746 620947010 /nfs/dbraw/zinc/94/70/10/620947010.db2.gz UJSSQPZZNNAZMA-ZETCQYMHSA-N 1 0 286.719 1.965 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC([NH+]2CCCC2)C1 ZINC000898613133 621819588 /nfs/dbraw/zinc/81/95/88/621819588.db2.gz VFPVGDAPTMYECH-UHFFFAOYSA-N 1 0 289.335 1.823 20 5 CDBDRO CC[C@H](C[NH2+]CC[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000899869185 622495259 /nfs/dbraw/zinc/49/52/59/622495259.db2.gz BOTVVOWOXZOIDG-OAHLLOKOSA-N 1 0 277.368 1.690 20 5 CDBDRO NOCCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000904458115 626301675 /nfs/dbraw/zinc/30/16/75/626301675.db2.gz VDHIRHKPAYBBPG-UHFFFAOYSA-N 1 0 259.693 1.618 20 5 CDBDRO CC[NH+](CC)[C@H](CNCC[N+](=O)[O-])Cc1ccccc1 ZINC000905034422 626377091 /nfs/dbraw/zinc/37/70/91/626377091.db2.gz LBCPOTPCTPJWNP-HNNXBMFYSA-N 1 0 279.384 1.806 20 5 CDBDRO O=[N+]([O-])CCN[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000905090942 626605513 /nfs/dbraw/zinc/60/55/13/626605513.db2.gz WGVBRFCIITVUTG-CHWSQXEVSA-N 1 0 250.298 1.773 20 5 CDBDRO Cc1nc(CN2CCC(C[NH2+]CC[N+](=O)[O-])CC2)oc1C ZINC000905104178 626621320 /nfs/dbraw/zinc/62/13/20/626621320.db2.gz NFJMVHFCUJBUFK-UHFFFAOYSA-N 1 0 296.371 1.370 20 5 CDBDRO C[C@](O)(C[NH2+]CCc1cccc([N+](=O)[O-])c1)C(F)F ZINC000905187996 626667527 /nfs/dbraw/zinc/66/75/27/626667527.db2.gz HNTXGAJYZQESAM-LBPRGKRZSA-N 1 0 274.267 1.743 20 5 CDBDRO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC000905213873 626694863 /nfs/dbraw/zinc/69/48/63/626694863.db2.gz RXLNNDCBCBXBKU-OCCSQVGLSA-N 1 0 263.341 1.373 20 5 CDBDRO O=C(/C=C/c1ccccc1)NCCC[NH2+]CC[N+](=O)[O-] ZINC000905247606 626703461 /nfs/dbraw/zinc/70/34/61/626703461.db2.gz PNTOGULGDWKDDW-BQYQJAHWSA-N 1 0 277.324 1.072 20 5 CDBDRO C[NH+]1CCC(Oc2ccc(C[NH2+]CC[N+](=O)[O-])cc2)CC1 ZINC000905255730 626707767 /nfs/dbraw/zinc/70/77/67/626707767.db2.gz MWDYISSJPKTXCC-UHFFFAOYSA-N 1 0 293.367 1.526 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1 ZINC000905381025 626777209 /nfs/dbraw/zinc/77/72/09/626777209.db2.gz JLFLCORRIPIYSA-VIFPVBQESA-N 1 0 264.203 1.004 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C/C=C\Cl ZINC000905708481 626935113 /nfs/dbraw/zinc/93/51/13/626935113.db2.gz PGCDCGXKCGEWIG-NWPZZWLHSA-N 1 0 286.715 1.677 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912909876 630277450 /nfs/dbraw/zinc/27/74/50/630277450.db2.gz JSDQSNBKTYAVSF-LLVKDONJSA-N 1 0 290.323 1.097 20 5 CDBDRO C[C@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000914738694 631556726 /nfs/dbraw/zinc/55/67/26/631556726.db2.gz PDNZZLYEGCXJFS-OALRPVAKSA-N 1 0 277.324 1.674 20 5 CDBDRO C[NH+]1CC(CNc2ncc3cccc([N+](=O)[O-])c3n2)C1 ZINC001170254022 1162326389 /nfs/dbraw/zinc/32/63/89/1162326389.db2.gz VJSCLLHZYRAILG-UHFFFAOYSA-N 1 0 273.296 1.512 20 5 CDBDRO COc1ccc(C[C@@H](C)[N@H+]2C[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170336565 1162339397 /nfs/dbraw/zinc/33/93/97/1162339397.db2.gz ZKNSPPVXKZEQEO-RWSFTLGLSA-N 1 0 294.351 1.847 20 5 CDBDRO CC[C@@]1(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000062904038 1169089981 /nfs/dbraw/zinc/08/99/81/1169089981.db2.gz WUOIYQJSQDMTHH-CQSZACIVSA-N 1 0 277.324 1.601 20 5 CDBDRO O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)[C@H]1CC[NH2+]C1 ZINC001574347502 1170954157 /nfs/dbraw/zinc/95/41/57/1170954157.db2.gz ZFBYBSLLOVPVJG-JTQLQIEISA-N 1 0 286.291 1.691 20 5 CDBDRO C[C@H](C(=O)NCC1([NH3+])CC1)c1ccc([N+](=O)[O-])cc1F ZINC001575068371 1171102315 /nfs/dbraw/zinc/10/23/15/1171102315.db2.gz DOYPKIDDFCOMRO-QMMMGPOBSA-N 1 0 281.287 1.445 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001576880976 1171545768 /nfs/dbraw/zinc/54/57/68/1171545768.db2.gz JONQFVMZNHADCO-IUCAKERBSA-N 1 0 293.298 1.621 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC001579241601 1172122730 /nfs/dbraw/zinc/12/27/30/1172122730.db2.gz CSCHTYURBDYSAH-UFBFGSQYSA-N 1 0 297.286 1.490 20 5 CDBDRO C[C@@H](NC(=O)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC001579412885 1172170555 /nfs/dbraw/zinc/17/05/55/1172170555.db2.gz APSZVWLQYZTJJJ-AAXDQBDMSA-N 1 0 289.335 1.913 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH2+][C@@H]2C[C@@H]21 ZINC001579642601 1172232501 /nfs/dbraw/zinc/23/25/01/1172232501.db2.gz MICWYABLAYBVQL-NEPJUHHUSA-N 1 0 261.281 1.090 20 5 CDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CC[NH2+]C1 ZINC001579993010 1172317633 /nfs/dbraw/zinc/31/76/33/1172317633.db2.gz PUAFQRAGHALTBL-YFKPBYRVSA-N 1 0 279.222 1.121 20 5 CDBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CC2(C[NH2+]C2)C1 ZINC001580810137 1172546312 /nfs/dbraw/zinc/54/63/12/1172546312.db2.gz IYEGZFYQQIXAAI-UHFFFAOYSA-N 1 0 286.291 1.122 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000401318838 1184134400 /nfs/dbraw/zinc/13/44/00/1184134400.db2.gz FMEITBIUZLBWAG-XHNCKOQMSA-N 1 0 267.285 1.399 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000401230691 1186408223 /nfs/dbraw/zinc/40/82/23/1186408223.db2.gz MZIPRHIRJHKTAX-VGMNWLOBSA-N 1 0 283.353 1.867 20 5 CDBDRO [NH3+][C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000404489132 1186521362 /nfs/dbraw/zinc/52/13/62/1186521362.db2.gz OUNWMZQFDFWCGE-VXGBXAGGSA-N 1 0 275.308 1.595 20 5 CDBDRO COc1nc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001164635693 719170064 /nfs/dbraw/zinc/17/00/64/719170064.db2.gz LGVHDMBTJXGVLT-UWVGGRQHSA-N 1 0 280.328 1.527 20 5 CDBDRO C[N@@H+]1CCO[C@@H]2CN(c3cc(Cl)ncc3[N+](=O)[O-])C[C@@H]21 ZINC001164669525 719378495 /nfs/dbraw/zinc/37/84/95/719378495.db2.gz QNDSIHRJKWXSEG-WDEREUQCSA-N 1 0 298.730 1.162 20 5 CDBDRO CC[N@H+](CCCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776589111 1164452276 /nfs/dbraw/zinc/45/22/76/1164452276.db2.gz PKTNRYYZQWIWSQ-ZDUSSCGKSA-N 1 0 268.313 1.333 20 5 CDBDRO Cc1ccc(CNC(=O)[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000867996056 730436083 /nfs/dbraw/zinc/43/60/83/730436083.db2.gz ORNBCDHBKLVAMK-CQSZACIVSA-N 1 0 277.324 1.519 20 5 CDBDRO CC[NH+](CC)CCOC(=O)c1ccc([N+](=O)[O-])o1 ZINC000849168416 730444724 /nfs/dbraw/zinc/44/47/24/730444724.db2.gz VDVJZUJIHYPDTK-UHFFFAOYSA-N 1 0 256.258 1.686 20 5 CDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H](C)[C@@H](C)[NH3+])n2)n1C ZINC000823093233 730472090 /nfs/dbraw/zinc/47/20/90/730472090.db2.gz BPOVGHGBLDROGO-NTSWFWBYSA-N 1 0 280.288 1.137 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCN1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000840093891 730526412 /nfs/dbraw/zinc/52/64/12/730526412.db2.gz OWEBMGDENOIAPI-GFCCVEGCSA-N 1 0 281.360 1.392 20 5 CDBDRO C[NH+](C)CC(C)(C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000308675566 730527268 /nfs/dbraw/zinc/52/72/68/730527268.db2.gz DXYFRQXCAPOUJH-UHFFFAOYSA-N 1 0 280.328 1.247 20 5 CDBDRO [NH3+][C@H](CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000831465682 730530508 /nfs/dbraw/zinc/53/05/08/730530508.db2.gz LNHLLFWLINYJBD-SNVBAGLBSA-N 1 0 289.295 1.537 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000886837245 730543299 /nfs/dbraw/zinc/54/32/99/730543299.db2.gz CXJUDROWUQEFRH-PWSUYJOCSA-N 1 0 262.313 1.174 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](CCCCO)C2CC2)cc1 ZINC000776584347 730546413 /nfs/dbraw/zinc/54/64/13/730546413.db2.gz MQLMAFNOOUZUIS-HNNXBMFYSA-N 1 0 294.351 1.865 20 5 CDBDRO COc1cc(NCC[N@H+](C)CCO)c(F)cc1[N+](=O)[O-] ZINC000884825133 730565267 /nfs/dbraw/zinc/56/52/67/730565267.db2.gz GZRZDSOVVBWTCU-UHFFFAOYSA-N 1 0 287.291 1.079 20 5 CDBDRO CC(=O)c1ccc(NCC[N@H+](C)CCO)c([N+](=O)[O-])c1 ZINC000884822675 730757939 /nfs/dbraw/zinc/75/79/39/730757939.db2.gz BWARKFZWGSWBHU-UHFFFAOYSA-N 1 0 281.312 1.133 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H]1COc1cc(F)ccc1[N+](=O)[O-] ZINC000721089897 730775554 /nfs/dbraw/zinc/77/55/54/730775554.db2.gz WJVJNYSISFBEQY-BDAKNGLRSA-N 1 0 254.261 1.968 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)N(C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000861601562 730909757 /nfs/dbraw/zinc/90/97/57/730909757.db2.gz AUPKAYCCWBYYAW-GHMZBOCLSA-N 1 0 294.355 1.953 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C/C=C\CO ZINC000866389827 730921439 /nfs/dbraw/zinc/92/14/39/730921439.db2.gz WOVLUWQOJYMEPF-MXQLGCADSA-N 1 0 268.288 1.803 20 5 CDBDRO CC[NH+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839688873 730922388 /nfs/dbraw/zinc/92/23/88/730922388.db2.gz IKXMOTOGABEKPU-CHWSQXEVSA-N 1 0 283.372 1.232 20 5 CDBDRO Cc1c(C[NH2+]C[C@H]2CCCNC2=O)cccc1[N+](=O)[O-] ZINC000873131274 731056163 /nfs/dbraw/zinc/05/61/63/731056163.db2.gz RBFCECXMMVKURR-GFCCVEGCSA-N 1 0 277.324 1.519 20 5 CDBDRO CC1(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[NH2+]C1 ZINC000817959351 731099335 /nfs/dbraw/zinc/09/93/35/731099335.db2.gz BRIWMMSFBRHJOI-UHFFFAOYSA-N 1 0 283.715 1.474 20 5 CDBDRO C[NH2+]CCN(C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000843057737 731104589 /nfs/dbraw/zinc/10/45/89/731104589.db2.gz SOHINQBDCJFANF-UHFFFAOYSA-N 1 0 281.312 1.017 20 5 CDBDRO CC1(O)CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819132742 731118165 /nfs/dbraw/zinc/11/81/65/731118165.db2.gz HWNSKRUTRKWMMV-HNFVBEJKSA-N 1 0 294.351 1.911 20 5 CDBDRO CC(C)OC(=O)CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818943746 731133500 /nfs/dbraw/zinc/13/35/00/731133500.db2.gz ZMXGJKLPEMCIBY-CYBMUJFWSA-N 1 0 296.323 1.560 20 5 CDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2C ZINC000930216119 731150832 /nfs/dbraw/zinc/15/08/32/731150832.db2.gz YOPLGJHVPIDTNJ-SECBINFHSA-N 1 0 263.297 1.133 20 5 CDBDRO CCC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)CC[NH2+]1 ZINC000895056672 731228454 /nfs/dbraw/zinc/22/84/54/731228454.db2.gz BYXBGKLOTRQREV-LLVKDONJSA-N 1 0 264.329 1.877 20 5 CDBDRO [NH3+][C@H]1C[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000715146629 731240429 /nfs/dbraw/zinc/24/04/29/731240429.db2.gz OOJKRJISELDPMM-ZKCHVHJHSA-N 1 0 267.260 1.201 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000873128884 731259549 /nfs/dbraw/zinc/25/95/49/731259549.db2.gz BAGLGPDEKABQNH-NWDGAFQWSA-N 1 0 291.351 1.955 20 5 CDBDRO [NH2+]=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000849007504 731308942 /nfs/dbraw/zinc/30/89/42/731308942.db2.gz UEZMUTWGRZCDBJ-UHFFFAOYSA-N 1 0 292.339 1.984 20 5 CDBDRO C[NH+](C)CCCOC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000792035864 731350931 /nfs/dbraw/zinc/35/09/31/731350931.db2.gz UKYPXAUXMZZJFX-UHFFFAOYSA-N 1 0 268.269 1.409 20 5 CDBDRO CC1(C)OC[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)O1 ZINC000819153276 731396694 /nfs/dbraw/zinc/39/66/94/731396694.db2.gz AJQCAGANVPRGRT-CHWSQXEVSA-N 1 0 296.323 1.369 20 5 CDBDRO O=C(NC1C[NH+](CC2CCCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001030292451 731419921 /nfs/dbraw/zinc/41/99/21/731419921.db2.gz JQPOJFFMEVOYBJ-ZIAGYGMSSA-N 1 0 295.383 1.422 20 5 CDBDRO C[C@H]([NH2+][C@H]1CCCNC(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000877558111 731463808 /nfs/dbraw/zinc/46/38/08/731463808.db2.gz WZZGQCOJHQNVTJ-JQWIXIFHSA-N 1 0 277.324 1.914 20 5 CDBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000714025472 731584431 /nfs/dbraw/zinc/58/44/31/731584431.db2.gz XIBDKAPENULFHC-UWVGGRQHSA-N 1 0 281.287 1.590 20 5 CDBDRO CC[C@@H]1C[C@H]1NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000877081127 731584614 /nfs/dbraw/zinc/58/46/14/731584614.db2.gz XKGQXDVYJOHIRS-GAJTVXKRSA-N 1 0 277.324 1.683 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CC[C@H](CO)CC2)cc1 ZINC000843079617 731587374 /nfs/dbraw/zinc/58/73/74/731587374.db2.gz ZYMJTOKEIHVCGL-UXIGCNINSA-N 1 0 294.351 1.769 20 5 CDBDRO CC[C@H](CCO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134402120 731746821 /nfs/dbraw/zinc/74/68/21/731746821.db2.gz RRGBEVQQDBHBLM-DGCLKSJQSA-N 1 0 268.313 1.379 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000882961729 731805424 /nfs/dbraw/zinc/80/54/24/731805424.db2.gz WDKJVXKSVLTGEG-NSHDSACASA-N 1 0 292.339 1.461 20 5 CDBDRO CC[NH2+][C@H](C)c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000863658548 731856728 /nfs/dbraw/zinc/85/67/28/731856728.db2.gz PUBSGIPAYKXITB-SSDOTTSWSA-N 1 0 277.284 1.898 20 5 CDBDRO Cc1c(C[NH2+]C[C@]2(O)CCO[C@@H]2C)cccc1[N+](=O)[O-] ZINC000227141453 731864398 /nfs/dbraw/zinc/86/43/98/731864398.db2.gz SHRXCQYZAKTLBL-BXUZGUMPSA-N 1 0 280.324 1.533 20 5 CDBDRO CC(C)(C(=O)NCCCCCC[NH3+])n1cc([N+](=O)[O-])cn1 ZINC000843510546 731866168 /nfs/dbraw/zinc/86/61/68/731866168.db2.gz RMJBCELSSJOYBJ-UHFFFAOYSA-N 1 0 297.359 1.162 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(c2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000092027552 731866585 /nfs/dbraw/zinc/86/65/85/731866585.db2.gz XYLHHGPMSZKMSC-NSHDSACASA-N 1 0 264.329 1.734 20 5 CDBDRO COc1ccc(C(=O)NCCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000843505799 731897923 /nfs/dbraw/zinc/89/79/23/731897923.db2.gz NLMCFWLOPVDGKW-UHFFFAOYSA-N 1 0 295.339 1.852 20 5 CDBDRO C[C@@H]([NH3+])c1cn(Cc2cc(F)ccc2[N+](=O)[O-])nn1 ZINC000124279753 731972072 /nfs/dbraw/zinc/97/20/72/731972072.db2.gz NXKSPQHQIGKKEM-SSDOTTSWSA-N 1 0 265.248 1.393 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H](C)[NH3+])c1 ZINC000700960716 732006037 /nfs/dbraw/zinc/00/60/37/732006037.db2.gz MVDXHFRMYATPRD-MRVPVSSYSA-N 1 0 283.353 1.736 20 5 CDBDRO C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000716604310 732011301 /nfs/dbraw/zinc/01/13/01/732011301.db2.gz JFFWQPJBJFRWGK-QMMMGPOBSA-N 1 0 283.353 1.774 20 5 CDBDRO [NH3+]C[C@H]1CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000123392876 732039530 /nfs/dbraw/zinc/03/95/30/732039530.db2.gz NGPZJCMUCRYYLK-LLVKDONJSA-N 1 0 253.277 1.657 20 5 CDBDRO COCC[C@@H]([NH3+])C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000884331128 732062557 /nfs/dbraw/zinc/06/25/57/732062557.db2.gz GLAZPJCJXUXVMN-LLVKDONJSA-N 1 0 293.323 1.156 20 5 CDBDRO Cc1c(CNC(=[NH2+])N2CCSCC2)cccc1[N+](=O)[O-] ZINC000849021951 732097619 /nfs/dbraw/zinc/09/76/19/732097619.db2.gz NLYAVRLIRYFRMX-UHFFFAOYSA-N 1 0 294.380 1.976 20 5 CDBDRO C[N@H+](CC1CCOCC1)Cn1cc([N+](=O)[O-])cn1 ZINC000124641653 732127850 /nfs/dbraw/zinc/12/78/50/732127850.db2.gz LQYKGDXOINAKIS-UHFFFAOYSA-N 1 0 254.290 1.107 20 5 CDBDRO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]CC[N+](=O)[O-] ZINC000791053172 732130305 /nfs/dbraw/zinc/13/03/05/732130305.db2.gz BIEGSNVIXXRUHM-CYBMUJFWSA-N 1 0 289.376 1.792 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518405 732168672 /nfs/dbraw/zinc/16/86/72/732168672.db2.gz LLSFLBDWFLBPQW-WDEREUQCSA-N 1 0 279.315 1.775 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCCCCO)cc1 ZINC000236495757 732174427 /nfs/dbraw/zinc/17/44/27/732174427.db2.gz HCIRRHJXLSJUGI-CQSZACIVSA-N 1 0 282.340 1.771 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000876807602 732190532 /nfs/dbraw/zinc/19/05/32/732190532.db2.gz HGLKIATVJMGZNU-NSHDSACASA-N 1 0 293.323 1.011 20 5 CDBDRO C[C@H]([NH2+]CCC1(CO)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834896222 732221315 /nfs/dbraw/zinc/22/13/15/732221315.db2.gz HRMXLYYTXDAQIQ-JTQLQIEISA-N 1 0 279.340 1.990 20 5 CDBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[C@@H]1O ZINC000776277185 732344389 /nfs/dbraw/zinc/34/43/89/732344389.db2.gz LQSRGTCPIUFTAV-QEJZJMRPSA-N 1 0 294.351 1.721 20 5 CDBDRO C[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000923390464 732378622 /nfs/dbraw/zinc/37/86/22/732378622.db2.gz SLYYZABECSKXCL-UGFHNGPFSA-N 1 0 293.367 1.687 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2O)cc1 ZINC000323480319 732447313 /nfs/dbraw/zinc/44/73/13/732447313.db2.gz ZLTPVWCCATVKED-JHJVBQTASA-N 1 0 266.297 1.131 20 5 CDBDRO C[N@H+](CCO)CCNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000884825992 732452711 /nfs/dbraw/zinc/45/27/11/732452711.db2.gz BGRHZCKHLCSFRO-UHFFFAOYSA-N 1 0 289.282 1.868 20 5 CDBDRO Nc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000828422137 732460105 /nfs/dbraw/zinc/46/01/05/732460105.db2.gz OKCBVIGWEQMWGN-LBPRGKRZSA-N 1 0 294.355 1.436 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCO[C@@H]2CCOC2)cc1 ZINC000725000303 732567391 /nfs/dbraw/zinc/56/73/91/732567391.db2.gz WSXRYTLKHKEDFZ-CYBMUJFWSA-N 1 0 266.297 1.490 20 5 CDBDRO C[C@@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000855009721 732573933 /nfs/dbraw/zinc/57/39/33/732573933.db2.gz PDNZZLYEGCXJFS-LAHYYIKRSA-N 1 0 277.324 1.674 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCCCCO)c1 ZINC000843063131 732689021 /nfs/dbraw/zinc/68/90/21/732689021.db2.gz WKQHYLGHKXNRFT-AWEZNQCLSA-N 1 0 282.340 1.771 20 5 CDBDRO CC(C)(C[NH3+])c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000843192186 732742459 /nfs/dbraw/zinc/74/24/59/732742459.db2.gz SQGIRHHVVOXAMZ-UHFFFAOYSA-N 1 0 277.284 1.200 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823195478 732805382 /nfs/dbraw/zinc/80/53/82/732805382.db2.gz ZDMSICVBPVAVSP-ZFWWWQNUSA-N 1 0 293.367 1.654 20 5 CDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000843452442 732808951 /nfs/dbraw/zinc/80/89/51/732808951.db2.gz QKXJPBDKZGIWEB-ZETCQYMHSA-N 1 0 296.283 1.136 20 5 CDBDRO CC(C)(CCc1noc([C@H]2C[C@@]23CCC[NH2+]C3)n1)[N+](=O)[O-] ZINC000848632236 732828379 /nfs/dbraw/zinc/82/83/79/732828379.db2.gz PNNDEPWFZPAEHW-QMTHXVAHSA-N 1 0 294.355 1.915 20 5 CDBDRO O=[N+]([O-])c1ccnn1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000172485337 732878827 /nfs/dbraw/zinc/87/88/27/732878827.db2.gz NNGMPGIDCUGXCR-LBPRGKRZSA-N 1 0 279.344 1.309 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000715091218 732929696 /nfs/dbraw/zinc/92/96/96/732929696.db2.gz IPYFVMAQYSFTTN-DTORHVGOSA-N 1 0 295.364 1.784 20 5 CDBDRO CNc1ccc(C(=O)NCCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000843505500 733024999 /nfs/dbraw/zinc/02/49/99/733024999.db2.gz BDKKXSWDHHPBBM-UHFFFAOYSA-N 1 0 294.355 1.885 20 5 CDBDRO CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001048607750 733086883 /nfs/dbraw/zinc/08/68/83/733086883.db2.gz KYZCGHJKVRLSFA-FDYHWXHSSA-N 1 0 283.372 1.184 20 5 CDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000830135593 733090581 /nfs/dbraw/zinc/09/05/81/733090581.db2.gz PIRMYQCOLVWKAS-RDBSUJKOSA-N 1 0 289.335 1.519 20 5 CDBDRO C[C@H](Cn1ccnc1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158632318 733153927 /nfs/dbraw/zinc/15/39/27/733153927.db2.gz ZDNIIAACQAHOEI-BXUZGUMPSA-N 1 0 290.323 1.503 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)cc1N[C@@H]1COCCC12C[NH2+]C2 ZINC001155463834 1167179811 /nfs/dbraw/zinc/17/98/11/1167179811.db2.gz ZBBCLMIETUVFPM-SNVBAGLBSA-N 1 0 298.730 1.434 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC001173215763 912298846 /nfs/dbraw/zinc/29/88/46/912298846.db2.gz ZKXQFMXEHRAIRS-DGCLKSJQSA-N 1 0 291.351 1.736 20 5 CDBDRO O=C(NCC1C[NH2+]C1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001122010796 913328122 /nfs/dbraw/zinc/32/81/22/913328122.db2.gz ZKJJTTITOYRHOX-OLZOCXBDSA-N 1 0 275.308 1.034 20 5 CDBDRO CCN(CC[NH3+])C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001122087595 913435350 /nfs/dbraw/zinc/43/53/50/913435350.db2.gz OGWSJZKNQSGXET-OLZOCXBDSA-N 1 0 277.324 1.506 20 5 CDBDRO Nc1cc(-n2ccnc2[C@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001167057982 894087068 /nfs/dbraw/zinc/08/70/68/894087068.db2.gz YVGIZDYCAQOLIY-VIFPVBQESA-N 1 0 288.311 1.225 20 5 CDBDRO COc1c(F)cc(N[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001167278585 895022230 /nfs/dbraw/zinc/02/22/30/895022230.db2.gz NHWSWMFEFAONAE-QMMMGPOBSA-N 1 0 269.276 1.859 20 5 CDBDRO Cc1cccc(-n2ccc(C[NH3+])cc2=N)c1[N+](=O)[O-] ZINC001167689403 898180750 /nfs/dbraw/zinc/18/07/50/898180750.db2.gz GGYFOTJGJRFGCR-UHFFFAOYSA-N 1 0 258.281 1.632 20 5 CDBDRO CCOc1cc([N+](=O)[O-])ccc1-n1ccc(CC[NH3+])n1 ZINC001167730938 899492855 /nfs/dbraw/zinc/49/28/55/899492855.db2.gz VRSZJYNEOGEGAN-UHFFFAOYSA-N 1 0 276.296 1.680 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1NC(=N)SCC[NH3+] ZINC001167914608 902111681 /nfs/dbraw/zinc/11/16/81/902111681.db2.gz NIOXIFWTLRBTDA-UHFFFAOYSA-N 1 0 271.302 1.037 20 5 CDBDRO CC[NH+](CC)C[C@H](C)Oc1nc[nH]c(=O)c1[N+](=O)[O-] ZINC001228143624 906964766 /nfs/dbraw/zinc/96/47/66/906964766.db2.gz OIGQKJDXBJDRTE-QMMMGPOBSA-N 1 0 270.289 1.200 20 5 CDBDRO O=C1C[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CN1 ZINC001172908837 912037384 /nfs/dbraw/zinc/03/73/84/912037384.db2.gz ZSZFLUHXMRULER-STQMWFEESA-N 1 0 289.335 1.320 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC001117687901 921980290 /nfs/dbraw/zinc/98/02/90/921980290.db2.gz RALZWTKTEKMYDT-GHMZBOCLSA-N 1 0 276.340 1.757 20 5 CDBDRO COc1ccc(N[C@H]2CCC[C@H]([NH3+])C2)nc1[N+](=O)[O-] ZINC001162390466 922470106 /nfs/dbraw/zinc/47/01/06/922470106.db2.gz FYQVGGCADMYDSK-IUCAKERBSA-N 1 0 266.301 1.680 20 5 CDBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839547334 936915019 /nfs/dbraw/zinc/91/50/19/936915019.db2.gz RDMSGMRZYVNBCC-MEBFFEOJSA-N 1 0 295.383 1.515 20 5 CDBDRO COC(=O)c1cc(O)c(O[C@@H](C)C[N+](C)(C)C)c(OC)c1 ZINC001231349279 925714421 /nfs/dbraw/zinc/71/44/21/925714421.db2.gz LQZCNFVLINCFLH-JTQLQIEISA-O 1 0 298.359 1.661 20 5 CDBDRO COc1nc(N[C@@H]2CCC[C@H]([NH3+])C2)nc(OC)c1[N+](=O)[O-] ZINC001154987938 926315583 /nfs/dbraw/zinc/31/55/83/926315583.db2.gz ZHLFGWAVZLBWDK-JGVFFNPUSA-N 1 0 297.315 1.084 20 5 CDBDRO COc1nc(N[C@@H]2CCC[C@@H]([NH3+])C2)nc(OC)c1[N+](=O)[O-] ZINC001154987937 926316120 /nfs/dbraw/zinc/31/61/20/926316120.db2.gz ZHLFGWAVZLBWDK-HTQZYQBOSA-N 1 0 297.315 1.084 20 5 CDBDRO Cc1cnc(N(CCC[NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC001156118259 927313567 /nfs/dbraw/zinc/31/35/67/927313567.db2.gz AJGOYMBEDVGELS-UHFFFAOYSA-N 1 0 252.318 1.862 20 5 CDBDRO Cn1cc(-n2cnc3ccc(C[NH3+])cc32)cc([N+](=O)[O-])c1=O ZINC001168844455 927504766 /nfs/dbraw/zinc/50/47/66/927504766.db2.gz MOPZQSPDWSFMPW-UHFFFAOYSA-N 1 0 299.290 1.091 20 5 CDBDRO [NH3+]Cc1nnnn1-c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001168919998 927543326 /nfs/dbraw/zinc/54/33/26/927543326.db2.gz HGYZEOWVNSKYKA-UHFFFAOYSA-N 1 0 288.189 1.048 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2nccc(Cl)n2)C1 ZINC001168979928 927567432 /nfs/dbraw/zinc/56/74/32/927567432.db2.gz CGGDZABZVWXGDG-DTWKUNHWSA-N 1 0 270.720 1.665 20 5 CDBDRO COC(=O)c1cccnc1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168980250 927569246 /nfs/dbraw/zinc/56/92/46/927569246.db2.gz CKTNXQUOGGYWRA-GHMZBOCLSA-N 1 0 293.323 1.403 20 5 CDBDRO O=C(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)Cc1ccccc1 ZINC001168985889 927576598 /nfs/dbraw/zinc/57/65/98/927576598.db2.gz VJKWQUOTLINKBU-KBPBESRZSA-N 1 0 276.336 1.833 20 5 CDBDRO CCOC(=O)CCCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168970937 927594637 /nfs/dbraw/zinc/59/46/37/927594637.db2.gz JHTYHSZMUJRVAD-NEPJUHHUSA-N 1 0 272.345 1.755 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccn(CCF)n2)C1 ZINC001168995830 927602993 /nfs/dbraw/zinc/60/29/93/927602993.db2.gz TYQZGFLUMJKLSS-QWRGUYRKSA-N 1 0 270.308 1.388 20 5 CDBDRO COc1cccc([C@@H](CO)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169005643 927607707 /nfs/dbraw/zinc/60/77/07/927607707.db2.gz BUOXWAWNFHXUEG-UXIGCNINSA-N 1 0 294.351 1.764 20 5 CDBDRO CCC1(CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)OCCO1 ZINC001169007162 927611747 /nfs/dbraw/zinc/61/17/47/927611747.db2.gz LRKVKOABYWHDSK-NWDGAFQWSA-N 1 0 272.345 1.565 20 5 CDBDRO COC(=O)CC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169012350 927618006 /nfs/dbraw/zinc/61/80/06/927618006.db2.gz PKJRSNRBGITGHV-OLZOCXBDSA-N 1 0 284.356 1.707 20 5 CDBDRO CC(C)C(=O)N1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168991344 927632048 /nfs/dbraw/zinc/63/20/48/927632048.db2.gz GMBSJTLSXCCJNP-AGIUHOORSA-N 1 0 283.372 1.278 20 5 CDBDRO O=C1CCC2(CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)O1 ZINC001169032981 927637708 /nfs/dbraw/zinc/63/77/08/927637708.db2.gz AMYIVDWYAVBZRW-NWDGAFQWSA-N 1 0 282.340 1.603 20 5 CDBDRO CC1(C)C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169036735 927646699 /nfs/dbraw/zinc/64/66/99/927646699.db2.gz PVAUHXTYDALJKX-WDEREUQCSA-N 1 0 254.330 1.733 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3OCC[C@@H]3C2)C1 ZINC001169039087 927651158 /nfs/dbraw/zinc/65/11/58/927651158.db2.gz MYZWQPOCGSMXOX-FVCCEPFGSA-N 1 0 254.330 1.543 20 5 CDBDRO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169017527 927657438 /nfs/dbraw/zinc/65/74/38/927657438.db2.gz AIKQHDHJJDXFOD-QNWHQSFQSA-N 1 0 255.362 1.456 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+](CCO)Cc2cccs2)C1 ZINC001169023191 927663637 /nfs/dbraw/zinc/66/36/37/927663637.db2.gz DJGZWSIQYDIPDE-RYUDHWBXSA-N 1 0 284.381 1.988 20 5 CDBDRO CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169026816 927666076 /nfs/dbraw/zinc/66/60/76/927666076.db2.gz OJKWTZALYLXKCV-UPJWGTAASA-N 1 0 269.345 1.032 20 5 CDBDRO Cc1nc2c(o1)CCN([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169055883 927670949 /nfs/dbraw/zinc/67/09/49/927670949.db2.gz QYRUFNPYUUNCCS-GHMZBOCLSA-N 1 0 265.313 1.787 20 5 CDBDRO CCOC(=O)NC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169057504 927676032 /nfs/dbraw/zinc/67/60/32/927676032.db2.gz WDLPZLJMJFPTSP-AAEUAGOBSA-N 1 0 299.371 1.642 20 5 CDBDRO Cc1c(F)cnc(-n2ccc([C@@H](C)[NH3+])n2)c1[N+](=O)[O-] ZINC001169228972 927829982 /nfs/dbraw/zinc/82/99/82/927829982.db2.gz TVAOIAJBRBULPX-SSDOTTSWSA-N 1 0 265.248 1.643 20 5 CDBDRO COCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000112204766 928197840 /nfs/dbraw/zinc/19/78/40/928197840.db2.gz MQCNIMLAXQHQGI-UHFFFAOYSA-N 1 0 290.323 1.731 20 5 CDBDRO CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858588310 928892665 /nfs/dbraw/zinc/89/26/65/928892665.db2.gz YEWHFJZVDNRTKM-DTWKUNHWSA-N 1 0 296.327 1.236 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000128931281 929814617 /nfs/dbraw/zinc/81/46/17/929814617.db2.gz CASFIXJMCMDGGH-MRVPVSSYSA-N 1 0 283.715 1.682 20 5 CDBDRO C[C@H](N[C@@H](C[NH3+])C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817959743 930645944 /nfs/dbraw/zinc/64/59/44/930645944.db2.gz IBRQXXBMRTWSMK-UFBFGSQYSA-N 1 0 264.329 1.565 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2CCCC[NH2+]2)n1 ZINC000823088418 931251629 /nfs/dbraw/zinc/25/16/29/931251629.db2.gz JWZVFVOCNMLNJB-ZETCQYMHSA-N 1 0 278.272 1.193 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](CC[NH+](C)C)C1 ZINC001154643571 937570655 /nfs/dbraw/zinc/57/06/55/937570655.db2.gz LNUYZKSZDIMCLW-NSHDSACASA-N 1 0 294.355 1.347 20 5 CDBDRO COc1nc(N[C@H]2CCC[C@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC001154975075 937614708 /nfs/dbraw/zinc/61/47/08/937614708.db2.gz GVGWRAJSWRFDOX-YUMQZZPRSA-N 1 0 267.289 1.075 20 5 CDBDRO COc1cnc(N[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001154986333 937617042 /nfs/dbraw/zinc/61/70/42/937617042.db2.gz RJZOQIFIPCTUED-DTWKUNHWSA-N 1 0 266.301 1.680 20 5 CDBDRO Cc1c[n+]([O-])c(NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC001171328644 932689745 /nfs/dbraw/zinc/68/97/45/932689745.db2.gz PSWUYWUCRZWZKZ-JTQLQIEISA-N 1 0 266.301 1.091 20 5 CDBDRO COc1cnc(NC[C@@]2(F)CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001155115632 937636954 /nfs/dbraw/zinc/63/69/54/937636954.db2.gz AGKDTKZWRPCIAP-CYBMUJFWSA-N 1 0 298.318 1.892 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](CO)CC2CC2)cc1 ZINC001120493467 937803439 /nfs/dbraw/zinc/80/34/39/937803439.db2.gz WKQVXPREPDZXIF-TZMCWYRMSA-N 1 0 280.324 1.379 20 5 CDBDRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)CC1 ZINC001121296613 937866250 /nfs/dbraw/zinc/86/62/50/937866250.db2.gz LCCQKRZVFGSQDG-LLVKDONJSA-N 1 0 296.375 1.073 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001122244678 937915270 /nfs/dbraw/zinc/91/52/70/937915270.db2.gz DRCOGYWMRGYISF-UBHSHLNASA-N 1 0 289.335 1.648 20 5 CDBDRO Nc1ccc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000052076902 938357202 /nfs/dbraw/zinc/35/72/02/938357202.db2.gz HHFOYWCGTNGOOP-GFCCVEGCSA-N 1 0 290.323 1.001 20 5 CDBDRO C[C@@H]1CN(c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)CC[NH2+]1 ZINC001156700772 938407988 /nfs/dbraw/zinc/40/79/88/938407988.db2.gz XLYQYKPXKRXCLA-DUMNWFOQSA-N 1 0 291.355 1.320 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1nccc2ccc([N+](=O)[O-])cc21 ZINC001156852884 938426197 /nfs/dbraw/zinc/42/61/97/938426197.db2.gz JMZBBGBLZPUEJL-UHFFFAOYSA-N 1 0 295.302 1.872 20 5 CDBDRO Cc1nc(Cl)nc(N(C)[C@]2(C)CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001156948209 938438023 /nfs/dbraw/zinc/43/80/23/938438023.db2.gz RGFXQMDOWOYTOO-GFCCVEGCSA-N 1 0 299.762 1.925 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@H]([N@@H+](C)C(C)C)C1 ZINC001157021584 938446507 /nfs/dbraw/zinc/44/65/07/938446507.db2.gz ORUZYSTZCNRKHV-LBPRGKRZSA-N 1 0 294.355 1.456 20 5 CDBDRO CC1(Nc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001157401552 938486967 /nfs/dbraw/zinc/48/69/67/938486967.db2.gz MIOWCKHDPFNTPD-UHFFFAOYSA-N 1 0 286.719 1.436 20 5 CDBDRO CC1(C)C[C@H](CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)O1 ZINC001157664316 938529879 /nfs/dbraw/zinc/52/98/79/938529879.db2.gz QTHMHESISMOQTE-SECBINFHSA-N 1 0 293.327 1.051 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCCN1c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001157741379 938538667 /nfs/dbraw/zinc/53/86/67/938538667.db2.gz KLHYAKCIDLTECB-CABZTGNLSA-N 1 0 287.323 1.854 20 5 CDBDRO O=C(NCCC[NH2+]CCc1cccs1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157774851 938544114 /nfs/dbraw/zinc/54/41/14/938544114.db2.gz DDGPYEMAMVMGEE-VXGBXAGGSA-N 1 0 297.380 1.052 20 5 CDBDRO C[NH+](C)CC(C)(C)CNc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001157940366 938566646 /nfs/dbraw/zinc/56/66/46/938566646.db2.gz LNIKYALPNYGSKP-UHFFFAOYSA-N 1 0 268.317 1.228 20 5 CDBDRO C[C@@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)C[C@@H](C)[NH2+]1 ZINC001158177836 938591375 /nfs/dbraw/zinc/59/13/75/938591375.db2.gz WHKRGTZDJKENFB-NXEZZACHSA-N 1 0 287.323 1.725 20 5 CDBDRO Cc1nc(Cl)nc(-n2ccc([C@H](C)[NH3+])n2)c1[N+](=O)[O-] ZINC001158346242 938611795 /nfs/dbraw/zinc/61/17/95/938611795.db2.gz ULBHOWOECZJVIJ-YFKPBYRVSA-N 1 0 282.691 1.552 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cc(N2CC[N@@H+]3CC[C@@H]3C2)n1 ZINC001158423766 938621490 /nfs/dbraw/zinc/62/14/90/938621490.db2.gz NFDOPOZAIDEERD-SECBINFHSA-N 1 0 268.704 1.538 20 5 CDBDRO CC1(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001158535024 938633188 /nfs/dbraw/zinc/63/31/88/938633188.db2.gz NPXBPCWMBLOKTQ-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO COc1cc(NCC[C@H]2CCC[NH2+]2)ncc1[N+](=O)[O-] ZINC001158627729 938643765 /nfs/dbraw/zinc/64/37/65/938643765.db2.gz NWJWOVUTMBHBDN-SECBINFHSA-N 1 0 266.301 1.552 20 5 CDBDRO Nc1cc(-n2cc(CC[NH3+])c3ncccc32)ncc1[N+](=O)[O-] ZINC001158748443 938659382 /nfs/dbraw/zinc/65/93/82/938659382.db2.gz BFVGXTQEQKJAKN-UHFFFAOYSA-N 1 0 298.306 1.412 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)nc(N2CCC3(C[NH2+]C3)CC2)c1 ZINC001159040238 938695229 /nfs/dbraw/zinc/69/52/29/938695229.db2.gz ZQTSWPUYLHPEGH-UHFFFAOYSA-N 1 0 282.731 1.833 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1Nc1cccc(CC[NH3+])c1 ZINC001161076813 938869225 /nfs/dbraw/zinc/86/92/25/938869225.db2.gz KETZGIVBUNZFHI-UHFFFAOYSA-N 1 0 273.296 1.817 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3c2)C1 ZINC001162403467 939046145 /nfs/dbraw/zinc/04/61/45/939046145.db2.gz ZPLYQJPYFBGPBI-NXEZZACHSA-N 1 0 275.312 1.924 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162470792 939063191 /nfs/dbraw/zinc/06/31/91/939063191.db2.gz MLAVLKZCLCVESF-YUMQZZPRSA-N 1 0 270.264 1.110 20 5 CDBDRO O=[N+]([O-])c1ccc(NCc2noc3c2C[NH2+]CC3)nc1 ZINC001163124674 939205569 /nfs/dbraw/zinc/20/55/69/939205569.db2.gz RISURZJHNYORQT-UHFFFAOYSA-N 1 0 275.268 1.236 20 5 CDBDRO CN(C)c1ccc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)c([N+](=O)[O-])c1 ZINC001163146804 939212635 /nfs/dbraw/zinc/21/26/35/939212635.db2.gz ZXUMSQYEVLSRCJ-RAIGVLPGSA-N 1 0 292.339 1.060 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)cn1 ZINC001163215597 939226894 /nfs/dbraw/zinc/22/68/94/939226894.db2.gz OMLUABXDWJIVDI-RISCZKNCSA-N 1 0 285.307 1.900 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163261398 939234625 /nfs/dbraw/zinc/23/46/25/939234625.db2.gz UTENXQJHZYTZGV-VGMNWLOBSA-N 1 0 298.730 1.292 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)nc1 ZINC001163307183 939243901 /nfs/dbraw/zinc/24/39/01/939243901.db2.gz WPRFJGRPXBWTHL-GWCFXTLKSA-N 1 0 278.312 1.313 20 5 CDBDRO Cc1cc(Cl)nc(N(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC001163590264 939290487 /nfs/dbraw/zinc/29/04/87/939290487.db2.gz XSBNHOUBAMYAJN-UHFFFAOYSA-N 1 0 272.736 1.949 20 5 CDBDRO CCOC(=O)c1cnc(N[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001163770985 939326460 /nfs/dbraw/zinc/32/64/60/939326460.db2.gz VGTCCIFMPZWLLQ-SECBINFHSA-N 1 0 296.327 1.529 20 5 CDBDRO C[NH+](C)C1CN(c2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001163934004 939357014 /nfs/dbraw/zinc/35/70/14/939357014.db2.gz VXAOCSSXUYVENR-UHFFFAOYSA-N 1 0 273.296 1.288 20 5 CDBDRO CC(C)N(CCC[NH3+])c1cc([N+](=O)[O-])c2nccn2c1 ZINC001164127235 939414840 /nfs/dbraw/zinc/41/48/40/939414840.db2.gz RMLBWZIVMQKMQD-UHFFFAOYSA-N 1 0 277.328 1.806 20 5 CDBDRO CC[NH+]1CCC(N(C)c2cc([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001165067483 939506163 /nfs/dbraw/zinc/50/61/63/939506163.db2.gz FFHJCGZKUQPUQP-UHFFFAOYSA-N 1 0 280.328 1.149 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3C[C@]3([NH3+])C2)n1 ZINC001165313599 939544301 /nfs/dbraw/zinc/54/43/01/939544301.db2.gz KOIYPJFMUJRJCI-CPCISQLKSA-N 1 0 268.704 1.489 20 5 CDBDRO CCOc1nc(N2CCC[C@@H]3[NH2+]C[C@@H]32)ccc1[N+](=O)[O-] ZINC001165395210 939558272 /nfs/dbraw/zinc/55/82/72/939558272.db2.gz UHCZPXKFARKQEY-ONGXEEELSA-N 1 0 278.312 1.329 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)n1 ZINC001165429921 939563726 /nfs/dbraw/zinc/56/37/26/939563726.db2.gz KWKWXOYEVSWENB-NXEZZACHSA-N 1 0 295.318 1.206 20 5 CDBDRO CC(C)[NH+]1CCC(CNc2cnc([N+](=O)[O-])cn2)CC1 ZINC001166623841 939620282 /nfs/dbraw/zinc/62/02/82/939620282.db2.gz ZBVLKWACMLBYBQ-UHFFFAOYSA-N 1 0 279.344 1.917 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)C[C@@H]2CC[NH2+]C2)n1 ZINC001166956117 939659387 /nfs/dbraw/zinc/65/93/87/939659387.db2.gz XIODNBRHNLBVOO-LLVKDONJSA-N 1 0 264.329 1.652 20 5 CDBDRO COc1cnc(N2CC[C@H]([NH3+])C(F)(F)C2)c([N+](=O)[O-])c1 ZINC001166962850 939662723 /nfs/dbraw/zinc/66/27/23/939662723.db2.gz YRUDNBJSZHKAHP-VIFPVBQESA-N 1 0 288.254 1.171 20 5 CDBDRO CCOC(=O)c1cnc(N)n1-c1cc([N+](=O)[O-])ccc1C ZINC001211285124 940745246 /nfs/dbraw/zinc/74/52/46/940745246.db2.gz AFYUNTCKDFHWJV-UHFFFAOYSA-N 1 0 290.279 1.848 20 5 CDBDRO C[C@@H]1CC[C@@H](C[NH3+])CN1c1ncc(F)cc1[N+](=O)[O-] ZINC000401159056 940864217 /nfs/dbraw/zinc/86/42/17/940864217.db2.gz KCDNUWXVAPAQPH-BDAKNGLRSA-N 1 0 268.292 1.693 20 5 CDBDRO Cc1c(C[NH2+]CCN2CCCC2=O)cccc1[N+](=O)[O-] ZINC000405331806 940982134 /nfs/dbraw/zinc/98/21/34/940982134.db2.gz CPRVQRSQECKJQY-UHFFFAOYSA-N 1 0 277.324 1.615 20 5 CDBDRO Nc1ccc(O[C@H]2C[NH2+]CCC[C@H]2F)cc1[N+](=O)[O-] ZINC001217986108 941033844 /nfs/dbraw/zinc/03/38/44/941033844.db2.gz SMLKMSXNQKPGEB-SKDRFNHKSA-N 1 0 269.276 1.646 20 5 CDBDRO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@H]1CCC[NH2+]C1 ZINC001218285145 941051826 /nfs/dbraw/zinc/05/18/26/941051826.db2.gz HBVNVQOFRYGXFB-NSHDSACASA-N 1 0 279.296 1.684 20 5 CDBDRO C[C@@H](C[NH3+])C(=O)Nc1cc2nc3ccccc3nc2cc1N ZINC001218858734 941280080 /nfs/dbraw/zinc/28/00/80/941280080.db2.gz FRTHYRLIIKPGAK-VIFPVBQESA-N 1 0 295.346 1.899 20 5 CDBDRO COC(=O)[C@@H](O[C@@H]1CC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC001223638877 941689024 /nfs/dbraw/zinc/68/90/24/941689024.db2.gz ABWVCUZTILHDEE-MFKMUULPSA-N 1 0 294.307 1.530 20 5 CDBDRO COc1cccc(CO[C@@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001223808534 941699774 /nfs/dbraw/zinc/69/97/74/941699774.db2.gz CAWMGZFYTYBDFV-LLVKDONJSA-N 1 0 266.297 1.824 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2C(=O)OC)C1 ZINC001225449631 941861664 /nfs/dbraw/zinc/86/16/64/941861664.db2.gz XDHLWNMRQNPOGH-NSHDSACASA-N 1 0 294.307 1.854 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2ccccc2o1 ZINC001226905514 942092596 /nfs/dbraw/zinc/09/25/96/942092596.db2.gz LWXHXCFSASFEJN-SNVBAGLBSA-N 1 0 279.316 1.190 20 5 CDBDRO COC(=O)Cc1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001226931109 942095460 /nfs/dbraw/zinc/09/54/60/942095460.db2.gz ZWSCZTJQKYQQLC-GFCCVEGCSA-N 1 0 266.361 1.876 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001227111375 942134488 /nfs/dbraw/zinc/13/44/88/942134488.db2.gz KSURXHRDYBNFOW-MRVPVSSYSA-N 1 0 285.280 1.372 20 5 CDBDRO Cc1cnc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2N3C)c([N+](=O)[O-])c1 ZINC001227234314 942154424 /nfs/dbraw/zinc/15/44/24/942154424.db2.gz GDPHOIDGRSLJFT-NDMJEZRESA-N 1 0 291.307 1.481 20 5 CDBDRO CCOC(=O)c1cnoc1O[C@H](C)C[N+](C)(C)C ZINC001228717265 942367076 /nfs/dbraw/zinc/36/70/76/942367076.db2.gz FHIBLLYFTPMXMN-SECBINFHSA-N 1 0 257.310 1.325 20 5 CDBDRO O=[N+]([O-])c1c[nH]cc2nc(O[C@H]3C[NH+]4CCC3CC4)nc1-2 ZINC001230230031 942592335 /nfs/dbraw/zinc/59/23/35/942592335.db2.gz JRBPBEHXIUAHAD-NSHDSACASA-N 1 0 289.295 1.339 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001233577850 943619850 /nfs/dbraw/zinc/61/98/50/943619850.db2.gz LLCASNKJXVRQRQ-VIFPVBQESA-N 1 0 284.292 1.977 20 5 CDBDRO O=C(NC[C@@H]1CCCCC[NH2+]1)c1ccc([N+](=O)[O-])o1 ZINC001263251753 943807299 /nfs/dbraw/zinc/80/72/99/943807299.db2.gz WOWGBPJBYHNADQ-VIFPVBQESA-N 1 0 267.285 1.450 20 5 CDBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC001262565936 946715373 /nfs/dbraw/zinc/71/53/73/946715373.db2.gz AUMABPDOPIHRML-CABZTGNLSA-N 1 0 268.313 1.377 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC(O)C1 ZINC001254530804 947506297 /nfs/dbraw/zinc/50/62/97/947506297.db2.gz BEBMMEGMIIFTTF-GCVQQVDUSA-N 1 0 250.298 1.639 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1ccnc1C(N)=[NH2+] ZINC001254536090 947516862 /nfs/dbraw/zinc/51/68/62/947516862.db2.gz AHCVATCGSZNEPS-VIFPVBQESA-N 1 0 273.296 1.879 20 5 CDBDRO COC(=O)[C@@H]1C[C@@H]1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254548482 947522942 /nfs/dbraw/zinc/52/29/42/947522942.db2.gz MOUBDZLRWCXFNP-CYZMBNFOSA-N 1 0 292.335 1.925 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](O)[C@@H](F)C1 ZINC001254553804 947524549 /nfs/dbraw/zinc/52/45/49/947524549.db2.gz ZNXCCRDDBDUNNF-SCDSUCTJSA-N 1 0 282.315 1.931 20 5 CDBDRO CO[C@H]1C[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254574432 947532578 /nfs/dbraw/zinc/53/25/78/947532578.db2.gz HCGCEEXCACLNGX-YRGRVCCFSA-N 1 0 262.309 1.829 20 5 CDBDRO COC(=O)[C@H]1C[C@@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254574153 947533449 /nfs/dbraw/zinc/53/34/49/947533449.db2.gz GMGYADVNYFIDGU-RWMBFGLXSA-N 1 0 290.319 1.603 20 5 CDBDRO Cn1cc(CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001254574708 947533718 /nfs/dbraw/zinc/53/37/18/947533718.db2.gz KIUBKVRVFOACAN-CQSZACIVSA-N 1 0 286.335 1.628 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCC1OCCO1)C2 ZINC001254576376 947534561 /nfs/dbraw/zinc/53/45/61/947534561.db2.gz VZEIGQVGVNDGTR-LBPRGKRZSA-N 1 0 278.308 1.415 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1(O)CCC1)C2 ZINC001254578806 947535171 /nfs/dbraw/zinc/53/51/71/947535171.db2.gz NVVYJHQNEVQOAV-GFCCVEGCSA-N 1 0 262.309 1.567 20 5 CDBDRO [NH3+]CCc1nccn1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580534 947537294 /nfs/dbraw/zinc/53/72/94/947537294.db2.gz DOEKQKSKOUIYQU-ZDUSSCGKSA-N 1 0 272.308 1.632 20 5 CDBDRO C[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1O ZINC001254592733 947543155 /nfs/dbraw/zinc/54/31/55/947543155.db2.gz GHMHFOUCQPNNKC-ONERCXAPSA-N 1 0 276.336 1.765 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC001254597393 947546780 /nfs/dbraw/zinc/54/67/80/947546780.db2.gz DBQKDZMZZIUEHD-HOTGVXAUSA-N 1 0 287.363 1.842 20 5 CDBDRO COc1ccc(C[C@H](C)N[C@@H]2CC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001246447281 948178662 /nfs/dbraw/zinc/17/86/62/948178662.db2.gz VLEZAJJCMAXUQB-IINYFYTJSA-N 1 0 291.351 1.486 20 5 CDBDRO O=[N+]([O-])c1ccsc1N1CC([NH2+][C@H]2CCOC2)C1 ZINC001307217644 956380230 /nfs/dbraw/zinc/38/02/30/956380230.db2.gz QORQPKNODAPTKB-QMMMGPOBSA-N 1 0 269.326 1.223 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]([N@H+](C)CC)C1 ZINC001307235623 956383401 /nfs/dbraw/zinc/38/34/01/956383401.db2.gz RCURALHIOFVFOJ-NSHDSACASA-N 1 0 281.360 1.650 20 5 CDBDRO Cc1nn(CN2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC001331492343 957100280 /nfs/dbraw/zinc/10/02/80/957100280.db2.gz ILGWXIRODQRAMI-UHFFFAOYSA-N 1 0 267.333 1.083 20 5 CDBDRO C[NH+](C)CC1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001331787994 957261596 /nfs/dbraw/zinc/26/15/96/957261596.db2.gz RHDLKTFZTMSFKL-UHFFFAOYSA-N 1 0 289.335 1.779 20 5 CDBDRO CCN(C(=O)Cc1cccc([N+](=O)[O-])c1C)[C@H]1CC[NH2+]C1 ZINC001333273170 958203024 /nfs/dbraw/zinc/20/30/24/958203024.db2.gz OEPUNAPREYCQRT-ZDUSSCGKSA-N 1 0 291.351 1.656 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001349151768 966277030 /nfs/dbraw/zinc/27/70/30/966277030.db2.gz BKMKTSCJTOZTOO-NSHDSACASA-N 1 0 279.340 1.939 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001349154272 966277980 /nfs/dbraw/zinc/27/79/80/966277980.db2.gz UKEHFQDBUOQIOS-LLVKDONJSA-N 1 0 294.355 1.511 20 5 CDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C12CC(C1)C[NH2+]2 ZINC001353419228 967966948 /nfs/dbraw/zinc/96/69/48/967966948.db2.gz ISYKOYUNSZPDST-UHFFFAOYSA-N 1 0 295.726 1.616 20 5 CDBDRO CN1CCC[NH+]=C1NCCNc1ccccc1[N+](=O)[O-] ZINC000848982746 969377620 /nfs/dbraw/zinc/37/76/20/969377620.db2.gz JPPJCFQYMQXMAJ-UHFFFAOYSA-N 1 0 277.328 1.288 20 5 CDBDRO Cc1cc(NC(=O)C2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC001356538143 969420251 /nfs/dbraw/zinc/42/02/51/969420251.db2.gz QGSFVROIOMTGDZ-UHFFFAOYSA-N 1 0 263.297 1.841 20 5 CDBDRO C[NH2+]CCCCC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001521373349 970289999 /nfs/dbraw/zinc/28/99/99/970289999.db2.gz RSVPXEFGZAQMCR-UHFFFAOYSA-N 1 0 279.340 1.643 20 5 CDBDRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C2 ZINC001523549609 970731894 /nfs/dbraw/zinc/73/18/94/970731894.db2.gz AHEPMMJJDHSGBU-AXTRIDKLSA-N 1 0 293.298 1.686 20 5 CDBDRO COCC[C@H]([NH3+])C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001573978755 1170852739 /nfs/dbraw/zinc/85/27/39/1170852739.db2.gz XVQHHGYBGCOJIG-SKDRFNHKSA-N 1 0 281.312 1.136 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001574098769 1170879580 /nfs/dbraw/zinc/87/95/80/1170879580.db2.gz HPMUABDRUMOOOZ-PWSUYJOCSA-N 1 0 277.324 1.914 20 5 CDBDRO CN(CC[NH3+])C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001578469807 1171927288 /nfs/dbraw/zinc/92/72/88/1171927288.db2.gz GAGJHWMVCZOVHH-UHFFFAOYSA-N 1 0 271.704 1.208 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1COCC[C@H]1O)CCC2 ZINC000601306493 342551227 /nfs/dbraw/zinc/55/12/27/342551227.db2.gz KCDWKJHWMMGQON-RBSFLKMASA-N 1 0 292.335 1.712 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601332604 342555017 /nfs/dbraw/zinc/55/50/17/342555017.db2.gz LSKKOCUCJSMJAO-OCCSQVGLSA-N 1 0 261.325 1.827 20 5 CDBDRO C[N@@H+]1CC[C@@](O)(CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000342830447 361749108 /nfs/dbraw/zinc/74/91/08/361749108.db2.gz JLJFOBNJTRPHHO-GFCCVEGCSA-N 1 0 269.276 1.212 20 5 CDBDRO CO[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000167217986 342073644 /nfs/dbraw/zinc/07/36/44/342073644.db2.gz MWUDQXJUJUXSOZ-GHMZBOCLSA-N 1 0 293.323 1.173 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000609287805 342100322 /nfs/dbraw/zinc/10/03/22/342100322.db2.gz URNYDRMYERNFDY-SNVBAGLBSA-N 1 0 279.344 1.757 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591281942 342624247 /nfs/dbraw/zinc/62/42/47/342624247.db2.gz ZHGONZPSQVIDRC-RYUDHWBXSA-N 1 0 297.330 1.783 20 5 CDBDRO C[C@@H](C(=O)NCC1([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000591321566 342625853 /nfs/dbraw/zinc/62/58/53/342625853.db2.gz JHLIFEGOURWINN-LLVKDONJSA-N 1 0 291.351 1.909 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000591444752 342632565 /nfs/dbraw/zinc/63/25/65/342632565.db2.gz NXMVPTACOKNUQR-NXEZZACHSA-N 1 0 282.369 1.877 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@H]4CC[NH2+][C@@H]4C3)c2c1 ZINC000591439885 342632119 /nfs/dbraw/zinc/63/21/19/342632119.db2.gz ZRLLJIJKMJUDDQ-QMTHXVAHSA-N 1 0 299.334 1.726 20 5 CDBDRO C[C@H](NC(=O)[C@H]1[NH2+]CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000591667923 342641080 /nfs/dbraw/zinc/64/10/80/342641080.db2.gz GGCXUYIOIUCBTN-JOYOIKCWSA-N 1 0 277.324 1.770 20 5 CDBDRO NC(=O)CC[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000591758726 342644209 /nfs/dbraw/zinc/64/42/09/342644209.db2.gz CPOIJINSGUSFJE-UHFFFAOYSA-N 1 0 271.704 1.256 20 5 CDBDRO CC(C)OCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591760819 342644376 /nfs/dbraw/zinc/64/43/76/342644376.db2.gz ZLPLKOOLQPWSOV-UHFFFAOYSA-N 1 0 295.339 1.938 20 5 CDBDRO [NH3+]CCOCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000592228213 342681782 /nfs/dbraw/zinc/68/17/82/342681782.db2.gz QAGNYBKSGYKDKJ-UHFFFAOYSA-N 1 0 293.323 1.061 20 5 CDBDRO COc1ccc(CC(=O)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000592289172 342683738 /nfs/dbraw/zinc/68/37/38/342683738.db2.gz GBUFBQDRIWFENE-LLVKDONJSA-N 1 0 293.323 1.014 20 5 CDBDRO CC1(C)C[NH2+]CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000592473466 342698564 /nfs/dbraw/zinc/69/85/64/342698564.db2.gz RGFWAJYDPJEQAF-UHFFFAOYSA-N 1 0 278.312 1.001 20 5 CDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCC[NH3+] ZINC000592473968 342698918 /nfs/dbraw/zinc/69/89/18/342698918.db2.gz XXVNIRYMFJBHEB-SNVBAGLBSA-N 1 0 280.328 1.202 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[NH3+] ZINC000592547170 342709093 /nfs/dbraw/zinc/70/90/93/342709093.db2.gz RDQZGZVTMHJYGM-QMMMGPOBSA-N 1 0 267.285 1.071 20 5 CDBDRO O=[N+]([O-])c1cccc(N2CCN(C[C@H]3CC[NH2+]C3)CC2)c1 ZINC000592984409 342751308 /nfs/dbraw/zinc/75/13/08/342751308.db2.gz LPLZMTMVJQSPNK-ZDUSSCGKSA-N 1 0 290.367 1.326 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593467087 342803933 /nfs/dbraw/zinc/80/39/33/342803933.db2.gz NCVVCWIVYXEDBB-SNVBAGLBSA-N 1 0 297.330 1.733 20 5 CDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000594003659 342862492 /nfs/dbraw/zinc/86/24/92/342862492.db2.gz KAJVRJWWFOLKGT-NWDGAFQWSA-N 1 0 291.307 1.985 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H]1COCCN1)c1cccc([N+](=O)[O-])c1 ZINC000600712234 342243793 /nfs/dbraw/zinc/24/37/93/342243793.db2.gz VCUKMKAEWPNIKE-ZYHUDNBSSA-N 1 0 265.313 1.234 20 5 CDBDRO CO[C@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000600759802 342247878 /nfs/dbraw/zinc/24/78/78/342247878.db2.gz IBJQTZIOHZABRF-IJLUTSLNSA-N 1 0 296.323 1.102 20 5 CDBDRO CCC(C)(C)[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000594593344 342923220 /nfs/dbraw/zinc/92/32/20/342923220.db2.gz BEPLBOZHPVUXRV-UHFFFAOYSA-N 1 0 279.344 1.695 20 5 CDBDRO C[NH2+]C1(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC000600822945 342251284 /nfs/dbraw/zinc/25/12/84/342251284.db2.gz CXCFVLKBFMMYQE-UHFFFAOYSA-N 1 0 277.324 1.775 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)C[C@H]21 ZINC000125661114 187195251 /nfs/dbraw/zinc/19/52/51/187195251.db2.gz DNYKOXCNAJOLFJ-JMJZKYOTSA-N 1 0 295.364 1.856 20 5 CDBDRO Cc1cc(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000127834602 342286513 /nfs/dbraw/zinc/28/65/13/342286513.db2.gz HDGUWLLTIWSYCJ-GXFFZTMASA-N 1 0 293.323 1.091 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000125833705 187201938 /nfs/dbraw/zinc/20/19/38/187201938.db2.gz SWLXYTMRSSIKSH-JTQLQIEISA-N 1 0 295.314 1.806 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)CO ZINC000595011619 342990326 /nfs/dbraw/zinc/99/03/26/342990326.db2.gz CHFCCCHAFQFWHE-DTWKUNHWSA-N 1 0 254.286 1.635 20 5 CDBDRO C[C@@H](NC(=O)NCCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000057440257 349740230 /nfs/dbraw/zinc/74/02/30/349740230.db2.gz FNLNJZXLGLMMST-LLVKDONJSA-N 1 0 294.355 1.907 20 5 CDBDRO COC[C@H](O)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000230160830 349773556 /nfs/dbraw/zinc/77/35/56/349773556.db2.gz UMEOUZQRPHJMRD-CYBMUJFWSA-N 1 0 268.313 1.124 20 5 CDBDRO Cc1noc(C[NH2+][C@@H](C)C2CCOCC2)c1[N+](=O)[O-] ZINC000595418511 343054652 /nfs/dbraw/zinc/05/46/52/343054652.db2.gz SICKMUSFFOULOV-QMMMGPOBSA-N 1 0 269.301 1.796 20 5 CDBDRO Cc1noc(C[NH2+][C@@H](CCO)C(C)(C)C)c1[N+](=O)[O-] ZINC000595425385 343056409 /nfs/dbraw/zinc/05/64/09/343056409.db2.gz RAYFUYLKVRIQBB-JTQLQIEISA-N 1 0 271.317 1.778 20 5 CDBDRO Cc1noc(C[NH2+][C@@H](C)[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000595435643 343060300 /nfs/dbraw/zinc/06/03/00/343060300.db2.gz HOVCZIQQGLBTIB-CBAPKCEASA-N 1 0 255.274 1.406 20 5 CDBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595476673 343064347 /nfs/dbraw/zinc/06/43/47/343064347.db2.gz SOGQWKHOKCSTKU-CQSZACIVSA-N 1 0 295.314 1.692 20 5 CDBDRO C[NH2+]CCN(C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420342698 290663197 /nfs/dbraw/zinc/66/31/97/290663197.db2.gz XGJUZKPWWWRGEY-SNVBAGLBSA-N 1 0 280.328 1.073 20 5 CDBDRO Nc1nc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)ncc1[N+](=O)[O-] ZINC000076268209 342320315 /nfs/dbraw/zinc/32/03/15/342320315.db2.gz NJGANYYEIVMMOQ-DTWKUNHWSA-N 1 0 278.316 1.006 20 5 CDBDRO CC[C@@H](C)[N@H+](CC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595593193 343096129 /nfs/dbraw/zinc/09/61/29/343096129.db2.gz OOAZGUKTMQJAKO-ZYHUDNBSSA-N 1 0 270.333 1.273 20 5 CDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1COCCO1 ZINC000595735490 343135226 /nfs/dbraw/zinc/13/52/26/343135226.db2.gz AMPWAQKXDDBYRT-AWEZNQCLSA-N 1 0 280.324 1.485 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC(=O)N(C)CC1 ZINC000595781290 343154175 /nfs/dbraw/zinc/15/41/75/343154175.db2.gz FGYYIUHDDVFVKU-NSHDSACASA-N 1 0 277.324 1.820 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000080389482 342352225 /nfs/dbraw/zinc/35/22/25/342352225.db2.gz YGTBEUJKXOSCTA-UHFFFAOYSA-N 1 0 251.286 1.228 20 5 CDBDRO CC1(C)CC[NH2+][C@@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000595940412 343203316 /nfs/dbraw/zinc/20/33/16/343203316.db2.gz QLPOPEUKPZOLCD-CYBMUJFWSA-N 1 0 291.351 1.642 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000595984998 343211433 /nfs/dbraw/zinc/21/14/33/343211433.db2.gz ZMHYUJIQRDLGAO-SECBINFHSA-N 1 0 292.339 1.507 20 5 CDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000382511434 362129648 /nfs/dbraw/zinc/12/96/48/362129648.db2.gz OYEDCZBJAILUQV-IONNQARKSA-N 1 0 269.326 1.514 20 5 CDBDRO Cc1cc(C(=O)N(C)CC(C)(C)[NH3+])cc([N+](=O)[O-])c1 ZINC000595949215 343193979 /nfs/dbraw/zinc/19/39/79/343193979.db2.gz ZHXJDSSDFMFCGB-UHFFFAOYSA-N 1 0 265.313 1.713 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]2[NH2+]CCC2(C)C)cccc1[N+](=O)[O-] ZINC000595953487 343195378 /nfs/dbraw/zinc/19/53/78/343195378.db2.gz JQSYBIAXKWUGKQ-ZDUSSCGKSA-N 1 0 291.351 1.908 20 5 CDBDRO C[C@H]1C[C@H](Nc2ccc(N)c([N+](=O)[O-])n2)C[N@@H+]1C1CC1 ZINC000596155349 343247257 /nfs/dbraw/zinc/24/72/57/343247257.db2.gz IHFPSBBAEXXSQH-IUCAKERBSA-N 1 0 277.328 1.031 20 5 CDBDRO CC(C)C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090520379 342396415 /nfs/dbraw/zinc/39/64/15/342396415.db2.gz HZCIMNAJEHGASG-UHFFFAOYSA-N 1 0 253.302 1.344 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000598342015 343770946 /nfs/dbraw/zinc/77/09/46/343770946.db2.gz JVVSQQDCUNSDQV-GFCCVEGCSA-N 1 0 295.314 1.948 20 5 CDBDRO Cc1c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000160976821 346975593 /nfs/dbraw/zinc/97/55/93/346975593.db2.gz NNMJQTHSWWWRNV-GHMZBOCLSA-N 1 0 277.324 1.903 20 5 CDBDRO CC(C)[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[NH2+]1 ZINC000598575613 343833701 /nfs/dbraw/zinc/83/37/01/343833701.db2.gz VAVZAHXUJKHOPI-NSHDSACASA-N 1 0 292.339 1.247 20 5 CDBDRO C[N@H+](CCNC(=O)c1c(N)cccc1[N+](=O)[O-])C1CC1 ZINC000272488422 529916517 /nfs/dbraw/zinc/91/65/17/529916517.db2.gz RKWRTQWGRNFWCI-UHFFFAOYSA-N 1 0 278.312 1.001 20 5 CDBDRO COc1ccc(CN2C[C@@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598681784 343864297 /nfs/dbraw/zinc/86/42/97/343864297.db2.gz JMSLBNLDLSPSHL-WFASDCNBSA-N 1 0 291.351 1.917 20 5 CDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000598668958 343871764 /nfs/dbraw/zinc/87/17/64/343871764.db2.gz DOKPJYAUFQLHLJ-XPTSAGLGSA-N 1 0 293.298 1.687 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC12CCC2 ZINC000612087017 347010201 /nfs/dbraw/zinc/01/02/01/347010201.db2.gz UIBQEWKCAPCPQI-GFCCVEGCSA-N 1 0 292.335 1.963 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000598915145 343919676 /nfs/dbraw/zinc/91/96/76/343919676.db2.gz IOAIMXFVWZFLTK-VROVMSAKSA-N 1 0 296.714 1.588 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C[C@H]2C[C@@H](O)C2)n1 ZINC000599081859 343957084 /nfs/dbraw/zinc/95/70/84/343957084.db2.gz NWQGBJAICBFGRG-XQHKEYJVSA-N 1 0 294.355 1.636 20 5 CDBDRO C[N@@H+]1CCCC[C@@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000599139820 343959890 /nfs/dbraw/zinc/95/98/90/343959890.db2.gz QMHBYILCNSMYIB-VIFPVBQESA-N 1 0 270.358 1.617 20 5 CDBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1(C)COC1 ZINC000599571744 344090990 /nfs/dbraw/zinc/09/09/90/344090990.db2.gz UBVONEJOLYKZFG-UHFFFAOYSA-N 1 0 293.323 1.162 20 5 CDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601600164 344207003 /nfs/dbraw/zinc/20/70/03/344207003.db2.gz BFCXPHWXNJKNFN-GXSJLCMTSA-N 1 0 295.314 1.899 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000127217207 187290117 /nfs/dbraw/zinc/29/01/17/187290117.db2.gz LIZXMFHXWWJRCZ-RPTYSRGTSA-N 1 0 275.308 1.428 20 5 CDBDRO CC[NH2+][C@H](C)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000602444571 344430977 /nfs/dbraw/zinc/43/09/77/344430977.db2.gz HVPOTPRUGHUTPE-SECBINFHSA-N 1 0 281.312 1.218 20 5 CDBDRO COc1cc(C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000602597574 344503670 /nfs/dbraw/zinc/50/36/70/344503670.db2.gz VKMDSMXCUGVVTH-WPRPVWTQSA-N 1 0 279.296 1.165 20 5 CDBDRO O=C1CCC[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)N1 ZINC000602639341 344511545 /nfs/dbraw/zinc/51/15/45/344511545.db2.gz JUOTWGJYCLYHOQ-LBPRGKRZSA-N 1 0 277.324 1.396 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3C[C@@H](O)C3)CC2)cn1 ZINC000602681706 344528443 /nfs/dbraw/zinc/52/84/43/344528443.db2.gz LCLQSEIHKZBMFW-BJHJDKERSA-N 1 0 292.339 1.072 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[N@@H+](C(C)C)CC1 ZINC000602772873 344576869 /nfs/dbraw/zinc/57/68/69/344576869.db2.gz MJQNXYMADXELHQ-UHFFFAOYSA-N 1 0 295.387 1.516 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCO[C@H](C)C1 ZINC000602772891 344576973 /nfs/dbraw/zinc/57/69/73/344576973.db2.gz MRWSESWYJYZHFT-SNVBAGLBSA-N 1 0 268.317 1.211 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000602754482 344581298 /nfs/dbraw/zinc/58/12/98/344581298.db2.gz KQGMPTGNETXNLH-UHFFFAOYSA-N 1 0 296.371 1.989 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1cnn(C)c1 ZINC000602810373 344603064 /nfs/dbraw/zinc/60/30/64/344603064.db2.gz LNCMYBMELYWNJD-SECBINFHSA-N 1 0 278.316 1.184 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000602902066 344655242 /nfs/dbraw/zinc/65/52/42/344655242.db2.gz FOUGIFVOEVPVCN-ZWNOBZJWSA-N 1 0 282.344 1.050 20 5 CDBDRO Cc1ncc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)s1 ZINC000602957353 344673133 /nfs/dbraw/zinc/67/31/33/344673133.db2.gz SBEJBEONSKEGRZ-QMMMGPOBSA-N 1 0 281.341 1.907 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)n1 ZINC000602998180 344684215 /nfs/dbraw/zinc/68/42/15/344684215.db2.gz YRWUDUPPCVNPRA-AVGNSLFASA-N 1 0 294.355 1.417 20 5 CDBDRO COCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000273209082 192076291 /nfs/dbraw/zinc/07/62/91/192076291.db2.gz VBKZHOMZAMWSRZ-UHFFFAOYSA-N 1 0 299.302 1.641 20 5 CDBDRO C[C@@H]1CC[C@@H](C[NH3+])N(CCn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000603435296 344808788 /nfs/dbraw/zinc/80/87/88/344808788.db2.gz XKEZBDAXEIRVIN-UTUOFQBUSA-N 1 0 281.360 1.239 20 5 CDBDRO [NH3+][C@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000050244214 344996337 /nfs/dbraw/zinc/99/63/37/344996337.db2.gz NCBLYAWTOLLQQU-QMMMGPOBSA-N 1 0 286.129 1.895 20 5 CDBDRO CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000293378069 362555792 /nfs/dbraw/zinc/55/57/92/362555792.db2.gz JRJOGJPUJGWLKB-GWCFXTLKSA-N 1 0 268.313 1.331 20 5 CDBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000344284338 362562473 /nfs/dbraw/zinc/56/24/73/362562473.db2.gz CNXBYRZMSTWOIM-YUSALJHKSA-N 1 0 282.344 1.440 20 5 CDBDRO COc1ccc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000129262892 345279511 /nfs/dbraw/zinc/27/95/11/345279511.db2.gz JKBFVQSDRMWTGZ-KOLCDFICSA-N 1 0 293.323 1.555 20 5 CDBDRO C[C@@]1(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000230731929 345440392 /nfs/dbraw/zinc/44/03/92/345440392.db2.gz ZYFGRTNBGRDMBM-GFCCVEGCSA-N 1 0 267.260 1.216 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000033092962 345441177 /nfs/dbraw/zinc/44/11/77/345441177.db2.gz MXXIFRKJIRHJTJ-VIFPVBQESA-N 1 0 251.286 1.275 20 5 CDBDRO Cc1nn(C)c(N[C@H]2CC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000609631209 345983670 /nfs/dbraw/zinc/98/36/70/345983670.db2.gz OSKMRBVKTAAAPV-NSHDSACASA-N 1 0 279.344 1.533 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cn1 ZINC000609797239 346000916 /nfs/dbraw/zinc/00/09/16/346000916.db2.gz XEFPGXQNOUWBMS-OLZOCXBDSA-N 1 0 292.339 1.025 20 5 CDBDRO COCCC[N@H+](C)CCNc1cccnc1[N+](=O)[O-] ZINC000610280123 346242298 /nfs/dbraw/zinc/24/22/98/346242298.db2.gz PFUJROOUQMFAMK-UHFFFAOYSA-N 1 0 268.317 1.370 20 5 CDBDRO CCO[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000610447907 346284480 /nfs/dbraw/zinc/28/44/80/346284480.db2.gz LVHQJGHAFRLPEB-GFCCVEGCSA-N 1 0 268.317 1.292 20 5 CDBDRO CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)C(C)(C)CO1 ZINC000610485218 346296996 /nfs/dbraw/zinc/29/69/96/346296996.db2.gz NJPJYWIKFGUGSU-UHFFFAOYSA-N 1 0 282.344 1.681 20 5 CDBDRO O=C(C[C@@H]1CC[NH2+]C1)NCc1cccc([N+](=O)[O-])c1 ZINC000089747795 347611316 /nfs/dbraw/zinc/61/13/16/347611316.db2.gz PMJICLGFROLZGN-NSHDSACASA-N 1 0 263.297 1.211 20 5 CDBDRO Cc1c(C(=O)N(C)CCC[NH3+])cccc1[N+](=O)[O-] ZINC000122212063 347614219 /nfs/dbraw/zinc/61/42/19/347614219.db2.gz ZQIDSUQIJZUVAJ-UHFFFAOYSA-N 1 0 251.286 1.324 20 5 CDBDRO C[C@@H]([NH2+]CCSCCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293657336 362852777 /nfs/dbraw/zinc/85/27/77/362852777.db2.gz IXDRETNOGWHYIE-SNVBAGLBSA-N 1 0 299.396 1.943 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000089106742 179702176 /nfs/dbraw/zinc/70/21/76/179702176.db2.gz DSEBWQGWVOSYMQ-BDAKNGLRSA-N 1 0 283.353 1.904 20 5 CDBDRO COC[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000069913093 349110828 /nfs/dbraw/zinc/11/08/28/349110828.db2.gz VLRNAPXOFMJZFZ-LBPRGKRZSA-N 1 0 254.286 1.082 20 5 CDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCOC1 ZINC000090848180 180044794 /nfs/dbraw/zinc/04/47/94/180044794.db2.gz YYKNRWCKJCLAES-IUODEOHRSA-N 1 0 294.351 1.657 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@H+](C)CCOC ZINC000091559034 180191446 /nfs/dbraw/zinc/19/14/46/180191446.db2.gz GVWYMHMUUTZNQG-UHFFFAOYSA-N 1 0 285.348 1.110 20 5 CDBDRO C[C@H]([NH3+])C1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000110646016 186308635 /nfs/dbraw/zinc/30/86/35/186308635.db2.gz CRTLQQLCPBSOAB-VIFPVBQESA-N 1 0 295.314 1.933 20 5 CDBDRO COc1cc(N[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000111052027 186348113 /nfs/dbraw/zinc/34/81/13/186348113.db2.gz BXWTUROKYYWHGO-JTQLQIEISA-N 1 0 251.286 1.767 20 5 CDBDRO CC(C)[NH+]1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000311860504 350725470 /nfs/dbraw/zinc/72/54/70/350725470.db2.gz VCHAPCXISRAYEJ-UHFFFAOYSA-N 1 0 265.317 1.102 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCO[C@H](C[NH3+])C2)c1 ZINC000313338444 350833858 /nfs/dbraw/zinc/83/38/58/350833858.db2.gz JUTKJYLJIRXRSP-LLVKDONJSA-N 1 0 293.323 1.093 20 5 CDBDRO O=[N+]([O-])c1cnc(-n2cnc(CCCO)c2)s1 ZINC000619695760 350835300 /nfs/dbraw/zinc/83/53/00/350835300.db2.gz BTJFLRWDTDYJJI-UHFFFAOYSA-N 1 0 254.271 1.162 20 5 CDBDRO CCN1CC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000619823307 350856692 /nfs/dbraw/zinc/85/66/92/350856692.db2.gz NKIBSTRXOILBJM-ZWNOBZJWSA-N 1 0 277.324 1.866 20 5 CDBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000291600466 198046860 /nfs/dbraw/zinc/04/68/60/198046860.db2.gz RUPHYCYHBAPULK-SECBINFHSA-N 1 0 283.332 1.168 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000454355778 252344278 /nfs/dbraw/zinc/34/42/78/252344278.db2.gz MHNDOZMKTWPTCV-JTQLQIEISA-N 1 0 280.328 1.478 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000136480289 363111377 /nfs/dbraw/zinc/11/13/77/363111377.db2.gz CBVQVHICTZLAGL-MRVPVSSYSA-N 1 0 267.285 1.397 20 5 CDBDRO C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000135236451 187810240 /nfs/dbraw/zinc/81/02/40/187810240.db2.gz YABTWVXKAYSHIY-GXFFZTMASA-N 1 0 277.324 1.333 20 5 CDBDRO Cc1cc(C(=O)N[C@@](C)(C[NH3+])C2CC2)cc([N+](=O)[O-])c1 ZINC000135231098 187810331 /nfs/dbraw/zinc/81/03/31/187810331.db2.gz AWTIROKJBBXQQK-AWEZNQCLSA-N 1 0 277.324 1.760 20 5 CDBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C)C1 ZINC000153674240 188096704 /nfs/dbraw/zinc/09/67/04/188096704.db2.gz CLPWVGHUSHOSQE-CYBMUJFWSA-N 1 0 277.324 1.761 20 5 CDBDRO CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293722311 363207154 /nfs/dbraw/zinc/20/71/54/363207154.db2.gz MNLNDMPUOWEBPY-JRKPZEMJSA-N 1 0 299.396 1.940 20 5 CDBDRO CNC(=O)CCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000155285717 188196317 /nfs/dbraw/zinc/19/63/17/188196317.db2.gz YQWWUKPCJIVRQY-UHFFFAOYSA-N 1 0 295.339 1.561 20 5 CDBDRO CSc1ccc(C(=O)N2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000155163579 188187536 /nfs/dbraw/zinc/18/75/36/188187536.db2.gz PDLPLJXKKWMGQZ-VIFPVBQESA-N 1 0 295.364 1.751 20 5 CDBDRO COc1cc(C(=O)N2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000156663681 188275611 /nfs/dbraw/zinc/27/56/11/188275611.db2.gz LIMIENOSUAXPBD-JTQLQIEISA-N 1 0 279.296 1.167 20 5 CDBDRO C[NH+](C)C1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000158373662 188372164 /nfs/dbraw/zinc/37/21/64/188372164.db2.gz FPPJOKYJUFVOHH-UHFFFAOYSA-N 1 0 267.260 1.120 20 5 CDBDRO CCC[C@H]([NH3+])C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000036872994 363284029 /nfs/dbraw/zinc/28/40/29/363284029.db2.gz QWXTUIDKZJVOPP-JTQLQIEISA-N 1 0 251.286 1.969 20 5 CDBDRO COc1ccc(C(=O)NC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000036962384 363298155 /nfs/dbraw/zinc/29/81/55/363298155.db2.gz JEZXPJDPKOSUMN-UHFFFAOYSA-N 1 0 279.296 1.085 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000168717820 188651827 /nfs/dbraw/zinc/65/18/27/188651827.db2.gz CUDKGASGIWHMML-VVTYTDBCSA-N 1 0 289.335 1.804 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000063193320 363382638 /nfs/dbraw/zinc/38/26/38/363382638.db2.gz KUIMQPULQIAAKW-FZMZJTMJSA-N 1 0 291.351 1.866 20 5 CDBDRO C[N@H+]1CC=C(CNc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000271900213 191399326 /nfs/dbraw/zinc/39/93/26/191399326.db2.gz ZETQKLQOJOQNJI-UHFFFAOYSA-N 1 0 289.295 1.805 20 5 CDBDRO COC(C)(C)C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000558681440 356040670 /nfs/dbraw/zinc/04/06/70/356040670.db2.gz CTWCPPGOBKTWEA-UHFFFAOYSA-N 1 0 256.306 1.148 20 5 CDBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000273028646 192024874 /nfs/dbraw/zinc/02/48/74/192024874.db2.gz MHQXAWLYMMPSQH-MRVPVSSYSA-N 1 0 283.715 1.588 20 5 CDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ncccc2[N+](=O)[O-])C1 ZINC000269088223 283161081 /nfs/dbraw/zinc/16/10/81/283161081.db2.gz ISYXRXXFZGIPMJ-RYUDHWBXSA-N 1 0 276.340 1.910 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000163375747 356545240 /nfs/dbraw/zinc/54/52/40/356545240.db2.gz VWNVNLFMMQUGFJ-JGVFFNPUSA-N 1 0 269.326 1.466 20 5 CDBDRO CCC[N@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000175452992 356575713 /nfs/dbraw/zinc/57/57/13/356575713.db2.gz CTJBDGNBVJZLBO-UHFFFAOYSA-N 1 0 296.327 1.157 20 5 CDBDRO C[NH+](C)C(C)(C)CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000046318270 357142205 /nfs/dbraw/zinc/14/22/05/357142205.db2.gz LSDWEWRPSLOSRO-UHFFFAOYSA-N 1 0 295.339 1.430 20 5 CDBDRO Cc1nc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000261613710 357252370 /nfs/dbraw/zinc/25/23/70/357252370.db2.gz SWPJIPMINRXWLF-QWRGUYRKSA-N 1 0 262.313 1.486 20 5 CDBDRO CC(C)([NH3+])CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000236826223 357420815 /nfs/dbraw/zinc/42/08/15/357420815.db2.gz UPFGONHRVHQTES-UHFFFAOYSA-N 1 0 263.297 1.611 20 5 CDBDRO CC[C@](C)(O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284064550 357636837 /nfs/dbraw/zinc/63/68/37/357636837.db2.gz LAOBOWQQXGTZRF-RNCFNFMXSA-N 1 0 267.329 1.989 20 5 CDBDRO Cc1cc(C(=O)N(C)CCC[NH3+])cc([N+](=O)[O-])c1 ZINC000135240100 357805676 /nfs/dbraw/zinc/80/56/76/357805676.db2.gz YKDCGZNJJUYKFN-UHFFFAOYSA-N 1 0 251.286 1.324 20 5 CDBDRO COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc([N+](=O)[O-])cc1C ZINC000187569856 357780752 /nfs/dbraw/zinc/78/07/52/357780752.db2.gz XDOQBDNKRZUOLX-OLZOCXBDSA-N 1 0 294.307 1.011 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000186778380 290603068 /nfs/dbraw/zinc/60/30/68/290603068.db2.gz VIQMXMYVZKBCFF-GZMMTYOYSA-N 1 0 297.742 1.976 20 5 CDBDRO CCOc1ccc(C(=O)N[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000126818598 358069344 /nfs/dbraw/zinc/06/93/44/358069344.db2.gz XUFVZOYKJXZOFZ-JTQLQIEISA-N 1 0 279.296 1.085 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000127290406 358080391 /nfs/dbraw/zinc/08/03/91/358080391.db2.gz VQNJSSLAUXJAHK-ZJUUUORDSA-N 1 0 250.302 1.472 20 5 CDBDRO Cc1nn(C)c(NCC2(C)CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000129454707 358284156 /nfs/dbraw/zinc/28/41/56/358284156.db2.gz DFTFIKCNBXFMLN-UHFFFAOYSA-N 1 0 267.333 1.438 20 5 CDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCN(C)C ZINC000337992814 358657010 /nfs/dbraw/zinc/65/70/10/358657010.db2.gz RCJOYIKUJMRNSQ-NSHDSACASA-N 1 0 294.355 1.463 20 5 CDBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341597116 358682251 /nfs/dbraw/zinc/68/22/51/358682251.db2.gz XJWGJAUPJLOILJ-VXGBXAGGSA-N 1 0 279.340 1.877 20 5 CDBDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000227979337 358688646 /nfs/dbraw/zinc/68/86/46/358688646.db2.gz RNNXDFACXWKVEW-GWCFXTLKSA-N 1 0 266.297 1.224 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000186847857 358832600 /nfs/dbraw/zinc/83/26/00/358832600.db2.gz XBRKLEWVQJYKQT-KWQFWETISA-N 1 0 281.287 1.462 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000262483612 358840822 /nfs/dbraw/zinc/84/08/22/358840822.db2.gz SBOFZTROFAEGFP-SNVBAGLBSA-N 1 0 265.313 1.631 20 5 CDBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H](C)OC ZINC000291154852 358884834 /nfs/dbraw/zinc/88/48/34/358884834.db2.gz FBXLNRPDPKWCBI-SNVBAGLBSA-N 1 0 256.306 1.148 20 5 CDBDRO Cc1ccc([C@H](C)NC[C@@H](O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000305162822 359050399 /nfs/dbraw/zinc/05/03/99/359050399.db2.gz XLIPCNMVONFRTM-WCQYABFASA-N 1 0 281.356 1.476 20 5 CDBDRO COCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000105791043 358986878 /nfs/dbraw/zinc/98/68/78/358986878.db2.gz CFGBVQLMJRMILI-NSHDSACASA-N 1 0 280.328 1.147 20 5 CDBDRO C[C@H](C(=O)N(C)C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338349991 359121873 /nfs/dbraw/zinc/12/18/73/359121873.db2.gz DMJPBJSCQSFZFC-LLVKDONJSA-N 1 0 279.340 1.546 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000569945836 359275074 /nfs/dbraw/zinc/27/50/74/359275074.db2.gz OLSYPNXSOFXTKQ-GFCCVEGCSA-N 1 0 294.355 1.912 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NCC[N@H+]1CC=CCC1 ZINC000280106018 359356101 /nfs/dbraw/zinc/35/61/01/359356101.db2.gz BJAKHEQUIJVUKD-UHFFFAOYSA-N 1 0 262.313 1.972 20 5 CDBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000127774615 359343221 /nfs/dbraw/zinc/34/32/21/359343221.db2.gz RPXIQCSTHKWHMQ-SNVBAGLBSA-N 1 0 282.344 1.379 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)CC(F)(F)F)cc1 ZINC000339791064 359444675 /nfs/dbraw/zinc/44/46/75/359444675.db2.gz GVVXGMMRCNXNLG-SECBINFHSA-N 1 0 278.230 1.998 20 5 CDBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000479495277 359448817 /nfs/dbraw/zinc/44/88/17/359448817.db2.gz BACBTQRNHXGMNX-VIFPVBQESA-N 1 0 295.343 1.120 20 5 CDBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000070149057 283442528 /nfs/dbraw/zinc/44/25/28/283442528.db2.gz JXWRGXRMLYKLDT-VIFPVBQESA-N 1 0 283.353 2.000 20 5 CDBDRO CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296818370 200006437 /nfs/dbraw/zinc/00/64/37/200006437.db2.gz VLNXLPHKXDAHQM-VIFPVBQESA-N 1 0 294.311 1.091 20 5 CDBDRO Cc1nc(NC[C@@H](C)[N@H+](C)C2CC2)ncc1[N+](=O)[O-] ZINC000297324774 200148692 /nfs/dbraw/zinc/14/86/92/200148692.db2.gz ZUZNQQCIUGFYOV-MRVPVSSYSA-N 1 0 265.317 1.588 20 5 CDBDRO COc1cc(C(=O)N2CC([NH+](C)C)C2)cc([N+](=O)[O-])c1C ZINC000276912383 360470972 /nfs/dbraw/zinc/47/09/72/360470972.db2.gz XGVPZCGDGIIYCX-UHFFFAOYSA-N 1 0 293.323 1.298 20 5 CDBDRO [NH3+]C[C@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000178560184 189127164 /nfs/dbraw/zinc/12/71/64/189127164.db2.gz WFPFXCZORIFAIE-LLVKDONJSA-N 1 0 293.323 1.171 20 5 CDBDRO CCc1ccc(C(=O)NCC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000178957787 189157085 /nfs/dbraw/zinc/15/70/85/189157085.db2.gz GETFPNKKHJWXQT-NSHDSACASA-N 1 0 291.351 1.887 20 5 CDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000236797354 361374226 /nfs/dbraw/zinc/37/42/26/361374226.db2.gz PGQGYFVORVNVSS-CYBMUJFWSA-N 1 0 291.351 1.941 20 5 CDBDRO C[NH+](C)CCSc1nc2sccn2c1[N+](=O)[O-] ZINC000301617244 201098202 /nfs/dbraw/zinc/09/82/02/201098202.db2.gz WDTYUTCYKGJTMY-UHFFFAOYSA-N 1 0 272.355 1.958 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](CO)c2ccc(F)cc2)n1 ZINC000273125017 239046089 /nfs/dbraw/zinc/04/60/89/239046089.db2.gz QECLBJFYWOYYID-GFCCVEGCSA-N 1 0 294.286 1.254 20 5 CDBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000545279953 363832412 /nfs/dbraw/zinc/83/24/12/363832412.db2.gz DAWZYLWWZXQGMS-UHFFFAOYSA-N 1 0 294.355 1.491 20 5 CDBDRO CC[NH2+]CCCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000580446008 363910769 /nfs/dbraw/zinc/91/07/69/363910769.db2.gz SBXDWKODPGWVFS-UHFFFAOYSA-N 1 0 294.355 1.147 20 5 CDBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000367598838 364000662 /nfs/dbraw/zinc/00/06/62/364000662.db2.gz ACJHFWHYXNUQAU-FFNLUWKOSA-N 1 0 292.339 1.147 20 5 CDBDRO Cc1cc(C(=O)NC[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000133592475 364076497 /nfs/dbraw/zinc/07/64/97/364076497.db2.gz VOOUDPRHBGHBNI-JTQLQIEISA-N 1 0 263.297 1.243 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1 ZINC000268062225 364193473 /nfs/dbraw/zinc/19/34/73/364193473.db2.gz ZCVDSTCJSNKHTO-OLZOCXBDSA-N 1 0 293.367 1.795 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@H](O)C[C@H]1C ZINC000340925232 364265514 /nfs/dbraw/zinc/26/55/14/364265514.db2.gz IRQNCOGIVKEYMW-BXKDBHETSA-N 1 0 266.297 1.559 20 5 CDBDRO C[C@@](C[NH3+])(NC(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000148956011 364548661 /nfs/dbraw/zinc/54/86/61/364548661.db2.gz BSKQEVGXUWJDMW-NSHDSACASA-N 1 0 269.326 1.514 20 5 CDBDRO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1O ZINC000270874601 366939233 /nfs/dbraw/zinc/93/92/33/366939233.db2.gz JOYFEEULAXEXEZ-GWCFXTLKSA-N 1 0 280.324 1.806 20 5 CDBDRO O=[N+]([O-])c1cccc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000414806898 241397146 /nfs/dbraw/zinc/39/71/46/241397146.db2.gz BXQVDCQGAWBCJS-FUNVUKJBSA-N 1 0 261.325 1.967 20 5 CDBDRO C[NH2+]CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000415510823 241707857 /nfs/dbraw/zinc/70/78/57/241707857.db2.gz ZYGXWCJUXBDIEE-UHFFFAOYSA-N 1 0 282.300 1.334 20 5 CDBDRO C[C@H](O)[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000272492325 367743239 /nfs/dbraw/zinc/74/32/39/367743239.db2.gz CIMOWLKHOZVOJD-UWVGGRQHSA-N 1 0 291.307 1.939 20 5 CDBDRO CCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000301119530 367806844 /nfs/dbraw/zinc/80/68/44/367806844.db2.gz XYDYDSBRFBBQCX-UHFFFAOYSA-N 1 0 280.332 1.253 20 5 CDBDRO C[C@H](NC(=O)NC[C@@H]([NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000418228337 242797010 /nfs/dbraw/zinc/79/70/10/242797010.db2.gz DUFFDPZMDGHBFR-TVQRCGJNSA-N 1 0 292.339 1.692 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])o1 ZINC000232234719 284028557 /nfs/dbraw/zinc/02/85/57/284028557.db2.gz AQHIDKOGWFBTRE-MRVPVSSYSA-N 1 0 253.258 1.060 20 5 CDBDRO C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000420341714 244114525 /nfs/dbraw/zinc/11/45/25/244114525.db2.gz VNDFMQKQVHYMSV-LLVKDONJSA-N 1 0 265.313 1.267 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+]1C ZINC000330898252 203367345 /nfs/dbraw/zinc/36/73/45/203367345.db2.gz IBTXZQBZDOINAY-DTWKUNHWSA-N 1 0 266.301 1.135 20 5 CDBDRO CCC[C@](C)([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668518 369785078 /nfs/dbraw/zinc/78/50/78/369785078.db2.gz FRGIGCFACLZXQB-ZDUSSCGKSA-N 1 0 265.313 1.729 20 5 CDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)C(C)(C)C[NH+](C)C ZINC000331091134 203532762 /nfs/dbraw/zinc/53/27/62/203532762.db2.gz WEKZVQKHBJUOKU-SNVBAGLBSA-N 1 0 296.371 1.639 20 5 CDBDRO Cc1sc(C(=O)NC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000130006668 370598673 /nfs/dbraw/zinc/59/86/73/370598673.db2.gz DZNCWEVJUHXMRW-VIFPVBQESA-N 1 0 283.353 1.694 20 5 CDBDRO Cc1c(CC(=O)N2CC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000422701185 245158626 /nfs/dbraw/zinc/15/86/26/245158626.db2.gz BNPYPEMPPAGLPA-LLVKDONJSA-N 1 0 263.297 1.005 20 5 CDBDRO COc1cc(CN[C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000414933562 371144117 /nfs/dbraw/zinc/14/41/17/371144117.db2.gz ARYCHFRYYJAPHO-QMMMGPOBSA-N 1 0 269.301 1.049 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]([NH3+])C(C)C ZINC000422857757 245341283 /nfs/dbraw/zinc/34/12/83/245341283.db2.gz YZKYKGWWDCNNBX-LBPRGKRZSA-N 1 0 279.340 1.925 20 5 CDBDRO C[C@]1(O)CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000178001335 372941483 /nfs/dbraw/zinc/94/14/83/372941483.db2.gz DBHCYBULOIXZJK-LBPRGKRZSA-N 1 0 254.261 1.691 20 5 CDBDRO C[C@@]1(O)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000177997010 372942056 /nfs/dbraw/zinc/94/20/56/372942056.db2.gz XHLVDAGQNHHVMH-CQSZACIVSA-N 1 0 293.323 1.380 20 5 CDBDRO Cc1cccc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)c1[N+](=O)[O-] ZINC000368384703 373835926 /nfs/dbraw/zinc/83/59/26/373835926.db2.gz KARQPQYZNJMHLS-GFCCVEGCSA-N 1 0 289.335 1.775 20 5 CDBDRO Cc1c(CC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000423751775 246027864 /nfs/dbraw/zinc/02/78/64/246027864.db2.gz WJHWGGHWKDLNIR-WCQYABFASA-N 1 0 291.351 1.689 20 5 CDBDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000420945764 374306742 /nfs/dbraw/zinc/30/67/42/374306742.db2.gz SCEVYVBIPCOQBI-MNOVXSKESA-N 1 0 280.324 1.751 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423978292 374397664 /nfs/dbraw/zinc/39/76/64/374397664.db2.gz OKBKYSCZZFYZLM-NXEZZACHSA-N 1 0 293.323 1.413 20 5 CDBDRO Cc1ccc([C@@H](C)NC[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000423473658 374383378 /nfs/dbraw/zinc/38/33/78/374383378.db2.gz HKWUGOMNAGNCHL-TZMCWYRMSA-N 1 0 292.383 1.457 20 5 CDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000423511579 374388028 /nfs/dbraw/zinc/38/80/28/374388028.db2.gz NPWZUKBQRMEERD-JTQLQIEISA-N 1 0 295.343 1.025 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000423530190 374388493 /nfs/dbraw/zinc/38/84/93/374388493.db2.gz WONOWGGOUKSVDD-YPMHNXCESA-N 1 0 279.340 1.542 20 5 CDBDRO Cc1c(C[NH2+][C@@H](C)CS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000081903933 374561554 /nfs/dbraw/zinc/56/15/54/374561554.db2.gz SJJRKUPYAASIMB-VIFPVBQESA-N 1 0 286.353 1.426 20 5 CDBDRO CSC[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000429313619 374581615 /nfs/dbraw/zinc/58/16/15/374581615.db2.gz XQLAPDGUUCGSNC-NSHDSACASA-N 1 0 284.385 1.866 20 5 CDBDRO [NH3+][C@@H]1C[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000424174740 246368835 /nfs/dbraw/zinc/36/88/35/246368835.db2.gz PLRPUPBHHHKSKK-WCBMZHEXSA-N 1 0 269.688 1.212 20 5 CDBDRO Cc1c([C@@H](C)NC[C@@H](O)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000154310372 374696093 /nfs/dbraw/zinc/69/60/93/374696093.db2.gz YZIPYLNCVBQTDV-VXGBXAGGSA-N 1 0 281.356 1.476 20 5 CDBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000070148970 374650051 /nfs/dbraw/zinc/65/00/51/374650051.db2.gz ZVTGAGZHKBRHJM-SNVBAGLBSA-N 1 0 283.353 2.000 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H]1C[NH3+] ZINC000070176552 374656098 /nfs/dbraw/zinc/65/60/98/374656098.db2.gz YFKXXPTZYQIEIJ-SKDRFNHKSA-N 1 0 280.328 1.133 20 5 CDBDRO CN(c1cnc2cc([N+](=O)[O-])ccc2n1)C1CC[NH2+]CC1 ZINC000095070658 374864574 /nfs/dbraw/zinc/86/45/74/374864574.db2.gz KEMFDGGTHQLMFO-UHFFFAOYSA-N 1 0 287.323 1.726 20 5 CDBDRO C[C@H](C(N)=O)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331113605 374890409 /nfs/dbraw/zinc/89/04/09/374890409.db2.gz CSHJXRATRIVWFM-MRVPVSSYSA-N 1 0 267.289 1.352 20 5 CDBDRO Cc1ccccc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000037894961 374995919 /nfs/dbraw/zinc/99/59/19/374995919.db2.gz FEJKQMNCOATVNT-AWEZNQCLSA-N 1 0 290.323 1.250 20 5 CDBDRO C[NH+](C)CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347252294 375003451 /nfs/dbraw/zinc/00/34/51/375003451.db2.gz BTQUTKBXIKHGPQ-UHFFFAOYSA-N 1 0 270.264 1.417 20 5 CDBDRO Cc1n[nH]c(C(=O)NC[C@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000332269181 375021928 /nfs/dbraw/zinc/02/19/28/375021928.db2.gz BZACOVXYCZZXIW-VIFPVBQESA-N 1 0 295.343 1.088 20 5 CDBDRO Cc1n[nH]c(C(=O)N[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000299573556 375181428 /nfs/dbraw/zinc/18/14/28/375181428.db2.gz WFCJKEVIACTVDZ-SECBINFHSA-N 1 0 295.343 1.231 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000161933897 375223686 /nfs/dbraw/zinc/22/36/86/375223686.db2.gz SRKIGKKYWKOPFQ-RYUDHWBXSA-N 1 0 277.324 1.903 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000162180336 375289603 /nfs/dbraw/zinc/28/96/03/375289603.db2.gz LJVOULDNXRYJTJ-MNOVXSKESA-N 1 0 277.324 1.903 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000162039010 375262148 /nfs/dbraw/zinc/26/21/48/375262148.db2.gz ZEFDNZPBAOHILW-HTQZYQBOSA-N 1 0 253.258 1.188 20 5 CDBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000304508320 375456744 /nfs/dbraw/zinc/45/67/44/375456744.db2.gz HKWHNUURSBUOFY-QWHCGFSZSA-N 1 0 282.344 1.417 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000132288770 375439792 /nfs/dbraw/zinc/43/97/92/375439792.db2.gz UCWRDNLJKJJBNQ-VHSXEESVSA-N 1 0 278.312 1.796 20 5 CDBDRO CN(Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1COC[C@H]1O ZINC000352813348 375541009 /nfs/dbraw/zinc/54/10/09/375541009.db2.gz CSARMQMFUYNSHO-NWDGAFQWSA-N 1 0 286.715 1.440 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@]2(O)CCOC2)c(Cl)c1 ZINC000230146883 375524670 /nfs/dbraw/zinc/52/46/70/375524670.db2.gz NGKVQHUTFISGHL-LBPRGKRZSA-N 1 0 286.715 1.489 20 5 CDBDRO CCCN(CC[NH+](C)C)C(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000344896173 375647521 /nfs/dbraw/zinc/64/75/21/375647521.db2.gz VOJYDXZIZNMYOE-UHFFFAOYSA-N 1 0 297.359 1.294 20 5 CDBDRO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC[N@@H+]1C ZINC000345012237 375714586 /nfs/dbraw/zinc/71/45/86/375714586.db2.gz PIKONXUCNVKZJA-DTWKUNHWSA-N 1 0 266.301 1.135 20 5 CDBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000355024560 375768595 /nfs/dbraw/zinc/76/85/95/375768595.db2.gz WXSWTDZVXHCLBW-GFCCVEGCSA-N 1 0 297.359 1.074 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000134025642 375825807 /nfs/dbraw/zinc/82/58/07/375825807.db2.gz ANDZGFJPRFXSKH-IUCAKERBSA-N 1 0 251.286 1.825 20 5 CDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000357064873 375881229 /nfs/dbraw/zinc/88/12/29/375881229.db2.gz JREOIKJIRWOQNM-QWHCGFSZSA-N 1 0 293.367 1.998 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000429144489 247423870 /nfs/dbraw/zinc/42/38/70/247423870.db2.gz SWPSYDNFOSEVHW-PRHODGIISA-N 1 0 278.312 1.108 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134249013 375941133 /nfs/dbraw/zinc/94/11/33/375941133.db2.gz UQGBVORMUKGVCM-NSHDSACASA-N 1 0 295.314 1.900 20 5 CDBDRO CC(C)c1ccc(C[NH2+]C[C@H](O)CO)cc1[N+](=O)[O-] ZINC000347499023 376312283 /nfs/dbraw/zinc/31/22/83/376312283.db2.gz GBQLWYXALBHODI-NSHDSACASA-N 1 0 268.313 1.161 20 5 CDBDRO COc1ccc(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000487034760 376569838 /nfs/dbraw/zinc/56/98/38/376569838.db2.gz FJOYSEMZAVEERQ-ONGXEEELSA-N 1 0 293.323 1.740 20 5 CDBDRO CCOC[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296680731 377206032 /nfs/dbraw/zinc/20/60/32/377206032.db2.gz IFEOGURAELNHDQ-GXFFZTMASA-N 1 0 268.313 1.643 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000040602135 378441248 /nfs/dbraw/zinc/44/12/48/378441248.db2.gz FVMUHGIVKDIARU-JTQLQIEISA-N 1 0 250.302 1.426 20 5 CDBDRO COCCC[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173575422 378645302 /nfs/dbraw/zinc/64/53/02/378645302.db2.gz CLTSSLYRNGNGSE-UHFFFAOYSA-N 1 0 298.339 1.951 20 5 CDBDRO CNC(=O)CC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000175036756 379626944 /nfs/dbraw/zinc/62/69/44/379626944.db2.gz RZZYJVXIMILWGH-UHFFFAOYSA-N 1 0 291.351 1.943 20 5 CDBDRO CC[NH+]1CCN([C@H](C)CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000059389362 379656040 /nfs/dbraw/zinc/65/60/40/379656040.db2.gz QPAUONDCCRAUGS-GFCCVEGCSA-N 1 0 293.371 1.428 20 5 CDBDRO CCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000450227235 251182177 /nfs/dbraw/zinc/18/21/77/251182177.db2.gz OWUDTILLXOKKRT-UHFFFAOYSA-N 1 0 279.344 1.980 20 5 CDBDRO Cc1nc(NCC[N@@H+]2CCCC(C)(C)C2)ncc1[N+](=O)[O-] ZINC000450484300 251304994 /nfs/dbraw/zinc/30/49/94/251304994.db2.gz KXYGSFDANHQFFN-UHFFFAOYSA-N 1 0 293.371 1.649 20 5 CDBDRO COC[C@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])OC ZINC000227704639 274048886 /nfs/dbraw/zinc/04/88/86/274048886.db2.gz ZYWCXIJBCBNONV-NSHDSACASA-N 1 0 288.731 1.999 20 5 CDBDRO COC[C@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000281318277 195194890 /nfs/dbraw/zinc/19/48/90/195194890.db2.gz ZQEKADIONWVNMK-MNOVXSKESA-N 1 0 268.313 1.561 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000285930125 390187978 /nfs/dbraw/zinc/18/79/78/390187978.db2.gz FLRIKKWYSWFZMV-KKFJDGPESA-N 1 0 292.339 1.293 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCC(=O)N(C)C ZINC000449099708 390485477 /nfs/dbraw/zinc/48/54/77/390485477.db2.gz OTPUEVNXGPXMFI-LBPRGKRZSA-N 1 0 293.367 1.984 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)n1 ZINC000451496846 390628199 /nfs/dbraw/zinc/62/81/99/390628199.db2.gz KNLFAXWHMYRXJF-CYZMBNFOSA-N 1 0 292.339 1.339 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000127185965 390643962 /nfs/dbraw/zinc/64/39/62/390643962.db2.gz CQBHJWOJPCTAJF-RMKNXTFCSA-N 1 0 277.324 1.676 20 5 CDBDRO CC[C@@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000451157124 390602010 /nfs/dbraw/zinc/60/20/10/390602010.db2.gz HBNDSZKDJUSZJI-NSHDSACASA-N 1 0 268.313 1.806 20 5 CDBDRO COC[C@]1(C)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000451202782 390604222 /nfs/dbraw/zinc/60/42/22/390604222.db2.gz PPNLVTVGVJDKDF-GFCCVEGCSA-N 1 0 268.317 1.150 20 5 CDBDRO CC(C)([NH3+])CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000178567535 390664457 /nfs/dbraw/zinc/66/44/57/390664457.db2.gz YPKXIVJMIZDPSZ-UHFFFAOYSA-N 1 0 263.297 1.611 20 5 CDBDRO C[NH+]1C[C@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@@H]2C1 ZINC000362670676 390858988 /nfs/dbraw/zinc/85/89/88/390858988.db2.gz WOPARLSBKZEQHU-QWRGUYRKSA-N 1 0 299.334 1.536 20 5 CDBDRO CC[NH2+][C@@H](C)CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000358944907 390918205 /nfs/dbraw/zinc/91/82/05/390918205.db2.gz PWZJDSLDUPVUTA-JTQLQIEISA-N 1 0 265.313 1.631 20 5 CDBDRO CCc1nn(C)c(NCCN2CCCOCC2)c1[N+](=O)[O-] ZINC000188489580 390962282 /nfs/dbraw/zinc/96/22/82/390962282.db2.gz CEZLVVIUOUVEME-UHFFFAOYSA-N 1 0 297.359 1.025 20 5 CDBDRO COc1cccc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c1[N+](=O)[O-] ZINC000517234587 390968713 /nfs/dbraw/zinc/96/87/13/390968713.db2.gz LLJGDWNQAXDMAH-MWLCHTKSSA-N 1 0 293.323 1.413 20 5 CDBDRO CC(C)c1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000269438290 391091444 /nfs/dbraw/zinc/09/14/44/391091444.db2.gz ORSJTDMONCRLEG-SECBINFHSA-N 1 0 295.343 1.265 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+](CCCO)C2)c(F)c1 ZINC000413326672 391199455 /nfs/dbraw/zinc/19/94/55/391199455.db2.gz LROVBCTWBYDQJJ-JTQLQIEISA-N 1 0 298.318 1.388 20 5 CDBDRO COc1ccc(NC(=O)NCCCC[NH3+])cc1[N+](=O)[O-] ZINC000415436152 391431301 /nfs/dbraw/zinc/43/13/01/391431301.db2.gz JHZQBKCCKUBSJT-UHFFFAOYSA-N 1 0 282.300 1.464 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000415627856 391469695 /nfs/dbraw/zinc/46/96/95/391469695.db2.gz CZHAAQFCQNDILN-PSASIEDQSA-N 1 0 296.302 1.996 20 5 CDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)C[NH+](C)C ZINC000343789205 391637830 /nfs/dbraw/zinc/63/78/30/391637830.db2.gz MMKKVJRHDXPUDY-VIFPVBQESA-N 1 0 280.328 1.316 20 5 CDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)C[NH+](C)C ZINC000343789204 391637877 /nfs/dbraw/zinc/63/78/77/391637877.db2.gz MMKKVJRHDXPUDY-SECBINFHSA-N 1 0 280.328 1.316 20 5 CDBDRO CC[N@H+](C)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000266002462 391664267 /nfs/dbraw/zinc/66/42/67/391664267.db2.gz NXMDAZPKMFAGFY-UHFFFAOYSA-N 1 0 293.367 1.940 20 5 CDBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000190424339 130102538 /nfs/dbraw/zinc/10/25/38/130102538.db2.gz NFUGSLPOBMHZMR-HONMWMINSA-N 1 0 280.324 1.331 20 5 CDBDRO C[C@H](NCC1([NH3+])CCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000342121937 130278278 /nfs/dbraw/zinc/27/82/78/130278278.db2.gz HAPUOKRQZYKAQO-JTQLQIEISA-N 1 0 292.339 1.393 20 5 CDBDRO C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)CCS1 ZINC000192173893 130387637 /nfs/dbraw/zinc/38/76/37/130387637.db2.gz HRHIOATWPABXQK-SNVBAGLBSA-N 1 0 270.358 1.619 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000132768816 391900390 /nfs/dbraw/zinc/90/03/90/391900390.db2.gz KQJXMQISZVNURJ-TVQRCGJNSA-N 1 0 295.314 1.933 20 5 CDBDRO C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248471781 392043919 /nfs/dbraw/zinc/04/39/19/392043919.db2.gz VWTMICHBUMYWPX-NWDGAFQWSA-N 1 0 280.324 1.819 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000237222859 131014753 /nfs/dbraw/zinc/01/47/53/131014753.db2.gz LYEMGJSJUQFUEA-CQSZACIVSA-N 1 0 291.351 1.738 20 5 CDBDRO [NH3+]C1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000237844611 131060689 /nfs/dbraw/zinc/06/06/89/131060689.db2.gz RKAISDUCCRYZPG-UHFFFAOYSA-N 1 0 289.295 1.034 20 5 CDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246625747 131096470 /nfs/dbraw/zinc/09/64/70/131096470.db2.gz VWVQYXQPPZGNNI-BREBYQMCSA-N 1 0 293.323 1.230 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261727999 131164900 /nfs/dbraw/zinc/16/49/00/131164900.db2.gz QTDQHHPQIGNLEX-NEPJUHHUSA-N 1 0 289.335 1.585 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000262701826 131252068 /nfs/dbraw/zinc/25/20/68/131252068.db2.gz AVBSLECRJFCNMS-SMDDNHRTSA-N 1 0 291.351 1.642 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000262700126 131252619 /nfs/dbraw/zinc/25/26/19/131252619.db2.gz AOYIJPARXKERGN-ONGXEEELSA-N 1 0 263.297 1.323 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000262880738 131270025 /nfs/dbraw/zinc/27/00/25/131270025.db2.gz NJKLWGVFTWJTQU-AAEUAGOBSA-N 1 0 291.351 1.784 20 5 CDBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000263797340 131332948 /nfs/dbraw/zinc/33/29/48/131332948.db2.gz YMMWKJBIGHSNHL-UHFFFAOYSA-N 1 0 277.324 1.809 20 5 CDBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000263957028 131369020 /nfs/dbraw/zinc/36/90/20/131369020.db2.gz MMEHOIUJDRFNHO-UWVGGRQHSA-N 1 0 294.359 1.499 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459775792 392504925 /nfs/dbraw/zinc/50/49/25/392504925.db2.gz KNFQAQLDEZJKJE-UTLUCORTSA-N 1 0 250.302 1.607 20 5 CDBDRO CC(C)[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000444755035 392653628 /nfs/dbraw/zinc/65/36/28/392653628.db2.gz WJAMFSODTBSXTF-GXTWGEPZSA-N 1 0 296.371 1.520 20 5 CDBDRO C[C@@H]1[C@H](C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000419374696 392892192 /nfs/dbraw/zinc/89/21/92/392892192.db2.gz QKRBDWSIRWMPTA-DCQANWLSSA-N 1 0 282.344 1.129 20 5 CDBDRO Cc1cc(N2CC[C@H]([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420172139 392900613 /nfs/dbraw/zinc/90/06/13/392900613.db2.gz ORIWLSQJZLMYNY-LBPRGKRZSA-N 1 0 299.334 1.898 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420200480 392904427 /nfs/dbraw/zinc/90/44/27/392904427.db2.gz NASBZXIMBOOGMN-NSHDSACASA-N 1 0 289.295 1.572 20 5 CDBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420252971 392915334 /nfs/dbraw/zinc/91/53/34/392915334.db2.gz CPYDLNDDAOYFNC-RYUDHWBXSA-N 1 0 289.335 1.843 20 5 CDBDRO C[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])C[NH+](C)C ZINC000489013835 392864656 /nfs/dbraw/zinc/86/46/56/392864656.db2.gz MUYQOARDYNSRTP-VIFPVBQESA-N 1 0 280.328 1.303 20 5 CDBDRO Cc1nc(N2CC[N@@H+](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000348372667 392874440 /nfs/dbraw/zinc/87/44/40/392874440.db2.gz ZESZNJPRJBISDJ-SNVBAGLBSA-N 1 0 264.329 1.829 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)NCC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000417821073 392874617 /nfs/dbraw/zinc/87/46/17/392874617.db2.gz DERVQNOYOLYCPM-SNVBAGLBSA-N 1 0 292.339 1.483 20 5 CDBDRO C[C@H](NC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000418226241 392879082 /nfs/dbraw/zinc/87/90/82/392879082.db2.gz AUEVQGUDGFPGAZ-NRUUGDAUSA-N 1 0 292.339 1.644 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000421707420 392942636 /nfs/dbraw/zinc/94/26/36/392942636.db2.gz XIEKZCGEJFZIQR-LBPRGKRZSA-N 1 0 295.314 1.900 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000269303287 132152935 /nfs/dbraw/zinc/15/29/35/132152935.db2.gz YHNORTGIKBYWNG-LLVKDONJSA-N 1 0 299.302 1.212 20 5 CDBDRO Cc1c(CC(=O)N2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000422695713 392956560 /nfs/dbraw/zinc/95/65/60/392956560.db2.gz VRDIMKHFVCKNQI-LBPRGKRZSA-N 1 0 277.324 1.395 20 5 CDBDRO Cc1c(CC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000423973150 392968589 /nfs/dbraw/zinc/96/85/89/392968589.db2.gz JJYRCJNJSWZWNO-BXKDBHETSA-N 1 0 277.324 1.251 20 5 CDBDRO CC[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430229892 393095289 /nfs/dbraw/zinc/09/52/89/393095289.db2.gz WAGYFLAWDMLZBV-UHFFFAOYSA-N 1 0 254.286 1.418 20 5 CDBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430273231 393095389 /nfs/dbraw/zinc/09/53/89/393095389.db2.gz MHHYOVISPZXUGY-AWEZNQCLSA-N 1 0 295.314 1.692 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000430562284 393100967 /nfs/dbraw/zinc/10/09/67/393100967.db2.gz QFCXLIRSGVYCTO-ZDUSSCGKSA-N 1 0 279.340 1.657 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000430648975 393104978 /nfs/dbraw/zinc/10/49/78/393104978.db2.gz ROCYKDMDDZCGPW-ZDUSSCGKSA-N 1 0 279.340 1.787 20 5 CDBDRO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000430964340 393106480 /nfs/dbraw/zinc/10/64/80/393106480.db2.gz DNLYADCXQXGUHJ-TXEJJXNPSA-N 1 0 279.340 1.656 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCc3ccccc3CC2)n1 ZINC000530904990 393054840 /nfs/dbraw/zinc/05/48/40/393054840.db2.gz SGKJFQBKHRBBLE-UHFFFAOYSA-N 1 0 286.335 1.892 20 5 CDBDRO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1[NH3+] ZINC000430946807 393107221 /nfs/dbraw/zinc/10/72/21/393107221.db2.gz YBXPLCXQMPVOFD-KOLCDFICSA-N 1 0 290.323 1.905 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N(C)C ZINC000449223430 393131391 /nfs/dbraw/zinc/13/13/91/393131391.db2.gz JTIRPIYTUPHGPS-JTQLQIEISA-N 1 0 265.313 1.204 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C(F)F ZINC000449176767 393131845 /nfs/dbraw/zinc/13/18/45/393131845.db2.gz ULLKKZMGNZZAAP-GZMMTYOYSA-N 1 0 274.267 1.741 20 5 CDBDRO Cc1sc(C(=O)N[C@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000449614441 393135585 /nfs/dbraw/zinc/13/55/85/393135585.db2.gz VPQOFOUFWRVWCI-ZCFIWIBFSA-N 1 0 293.295 1.677 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000449640363 393137746 /nfs/dbraw/zinc/13/77/46/393137746.db2.gz SBQVVYUKRITSPP-GHMZBOCLSA-N 1 0 292.339 1.546 20 5 CDBDRO COC[C@@]1(CO)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000449699724 393139780 /nfs/dbraw/zinc/13/97/80/393139780.db2.gz PCARPUXGPLHBQH-AWEZNQCLSA-N 1 0 280.324 1.426 20 5 CDBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000449744562 393141069 /nfs/dbraw/zinc/14/10/69/393141069.db2.gz IBSRIUIXIXDALA-SCZZXKLOSA-N 1 0 297.742 1.992 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000332023136 393152006 /nfs/dbraw/zinc/15/20/06/393152006.db2.gz RFGJDWBUELNEIT-MNOVXSKESA-N 1 0 289.335 1.872 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC1(O)CCCCCC1 ZINC000187346415 140078378 /nfs/dbraw/zinc/07/83/78/140078378.db2.gz HXAYLYFZGLONMV-UHFFFAOYSA-N 1 0 296.371 1.808 20 5 CDBDRO O=[N+]([O-])c1cccc(CN2C[C@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000221382292 140169897 /nfs/dbraw/zinc/16/98/97/140169897.db2.gz RFWPXWRGQDVVNH-TZMCWYRMSA-N 1 0 261.325 1.779 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)C[C@@H]21 ZINC000230068110 140207141 /nfs/dbraw/zinc/20/71/41/140207141.db2.gz DNYKOXCNAJOLFJ-DVVUODLYSA-N 1 0 295.364 1.856 20 5 CDBDRO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000231466317 140216321 /nfs/dbraw/zinc/21/63/21/140216321.db2.gz HYYOXPJEXPQZCK-CYBMUJFWSA-N 1 0 291.351 1.738 20 5 CDBDRO Cc1c(CNC(=O)[C@@]2(C)CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000231856783 140219503 /nfs/dbraw/zinc/21/95/03/140219503.db2.gz XZEKUCDMMHGMFD-HNNXBMFYSA-N 1 0 291.351 1.909 20 5 CDBDRO Cc1c(CNC(=O)[C@H](C)[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000231855907 140219518 /nfs/dbraw/zinc/21/95/18/140219518.db2.gz HHUKOJCIINWZPS-PSASIEDQSA-N 1 0 265.313 1.503 20 5 CDBDRO Cc1c(CNC(=O)[C@H](C[NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000231856506 140219725 /nfs/dbraw/zinc/21/97/25/140219725.db2.gz KBPGZUVJTGVFSL-GFCCVEGCSA-N 1 0 279.340 1.750 20 5 CDBDRO CSCC[C@H]([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231857071 140220369 /nfs/dbraw/zinc/22/03/69/140220369.db2.gz GDDPIDPDXAJWQJ-NSHDSACASA-N 1 0 297.380 1.600 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1F ZINC000232233305 140221239 /nfs/dbraw/zinc/22/12/39/140221239.db2.gz MEJFZGIFOZHGDE-VIFPVBQESA-N 1 0 281.287 1.606 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000235652168 140236358 /nfs/dbraw/zinc/23/63/58/140236358.db2.gz GIUTXVGZFMQIBM-CABZTGNLSA-N 1 0 263.297 1.322 20 5 CDBDRO CCCC[C@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000236782143 140245396 /nfs/dbraw/zinc/24/53/96/140245396.db2.gz GCJMEUJQYPRDSU-AWEZNQCLSA-N 1 0 291.351 1.997 20 5 CDBDRO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1O ZINC000251669368 140311101 /nfs/dbraw/zinc/31/11/01/140311101.db2.gz LPAUCAJUUVMWHK-GXFFZTMASA-N 1 0 250.298 1.798 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000261592832 140359320 /nfs/dbraw/zinc/35/93/20/140359320.db2.gz YTFNXDUMXKHLQA-BDAKNGLRSA-N 1 0 253.277 1.907 20 5 CDBDRO [NH3+]CC1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000261660145 140371399 /nfs/dbraw/zinc/37/13/99/140371399.db2.gz DWGJAIMMLWZWFG-UHFFFAOYSA-N 1 0 293.352 1.775 20 5 CDBDRO COC[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000261692445 140376596 /nfs/dbraw/zinc/37/65/96/140376596.db2.gz NMCYFLOVQUUVNU-AWEZNQCLSA-N 1 0 293.323 1.093 20 5 CDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C1 ZINC000423208354 397602986 /nfs/dbraw/zinc/60/29/86/397602986.db2.gz TVDSOPMRXGGVOP-ZYHUDNBSSA-N 1 0 292.339 1.263 20 5 CDBDRO C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000135221945 397910139 /nfs/dbraw/zinc/91/01/39/397910139.db2.gz UFSJIIKTFRFDLS-YPMHNXCESA-N 1 0 291.351 1.642 20 5 CDBDRO COc1ccc(C[N@H+](C)[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000286769888 397976692 /nfs/dbraw/zinc/97/66/92/397976692.db2.gz ZRPWMUOOLUCUKQ-DGCLKSJQSA-N 1 0 280.324 1.949 20 5 CDBDRO CC(C)[C@H](CO)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000092395202 147011716 /nfs/dbraw/zinc/01/17/16/147011716.db2.gz YSDUCICIKVAKOG-ZDUSSCGKSA-N 1 0 268.313 1.580 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCC[NH+]1CCCC1 ZINC000180892494 148167665 /nfs/dbraw/zinc/16/76/65/148167665.db2.gz SVVCKHQEFLAKAV-UHFFFAOYSA-N 1 0 278.312 1.003 20 5 CDBDRO CCn1cc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000181445579 148201194 /nfs/dbraw/zinc/20/11/94/148201194.db2.gz UDTVCZHIYAKFHZ-JTQLQIEISA-N 1 0 278.316 1.359 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H]1CC[NH2+]C1 ZINC000262016299 149000531 /nfs/dbraw/zinc/00/05/31/149000531.db2.gz FWBHKQJXVALBSS-SNVBAGLBSA-N 1 0 255.705 1.700 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000262658484 149091433 /nfs/dbraw/zinc/09/14/33/149091433.db2.gz XWJDRBGKUXDTAD-UHFFFAOYSA-N 1 0 280.328 1.424 20 5 CDBDRO CCC[N@@H+]1CCC[C@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000343915532 152351299 /nfs/dbraw/zinc/35/12/99/152351299.db2.gz GXXKTWXEEWYIBW-JTQLQIEISA-N 1 0 267.333 1.615 20 5 CDBDRO CCc1n[nH]c(C(=O)N[C@@H](C)C[NH+](CC)CC)c1[N+](=O)[O-] ZINC000345587530 152885089 /nfs/dbraw/zinc/88/50/89/152885089.db2.gz HAJUAHZSEGRWBW-VIFPVBQESA-N 1 0 297.359 1.340 20 5 CDBDRO [NH3+][C@@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000346085683 153047116 /nfs/dbraw/zinc/04/71/16/153047116.db2.gz UGDWZZMUXOTJCP-LLVKDONJSA-N 1 0 292.339 1.347 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]([NH3+])C1 ZINC000346091627 153050217 /nfs/dbraw/zinc/05/02/17/153050217.db2.gz MHRRNPAXLWCZSW-NSHDSACASA-N 1 0 292.339 1.265 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000346272003 153120377 /nfs/dbraw/zinc/12/03/77/153120377.db2.gz RJUQGFQMKYDUIB-SNVBAGLBSA-N 1 0 265.313 1.204 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000088147686 292282269 /nfs/dbraw/zinc/28/22/69/292282269.db2.gz QDAYPDMKQYEDHQ-SNVBAGLBSA-N 1 0 263.297 1.467 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1Cc1csc([N+](=O)[O-])c1 ZINC000346633515 153250495 /nfs/dbraw/zinc/25/04/95/153250495.db2.gz FCQIEWMEQBMYMW-DTWKUNHWSA-N 1 0 255.343 1.839 20 5 CDBDRO C[NH2+]C[C@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000347044543 153390786 /nfs/dbraw/zinc/39/07/86/153390786.db2.gz NENBZZAHHAVOKC-CYBMUJFWSA-N 1 0 263.341 1.945 20 5 CDBDRO CC(C)(CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[NH+]1CCCCC1 ZINC000348497958 153911052 /nfs/dbraw/zinc/91/10/52/153911052.db2.gz VQHCDPLYICBAIS-UHFFFAOYSA-N 1 0 295.343 1.312 20 5 CDBDRO C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000352150923 154986128 /nfs/dbraw/zinc/98/61/28/154986128.db2.gz YZCMMGIWVFZJDV-LLVKDONJSA-N 1 0 293.367 1.939 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CC[C@H](CO)O1 ZINC000353702090 156024468 /nfs/dbraw/zinc/02/44/68/156024468.db2.gz IAKVVIVLBWFMDA-UONOGXRCSA-N 1 0 280.324 1.533 20 5 CDBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CO ZINC000359667950 158329019 /nfs/dbraw/zinc/32/90/19/158329019.db2.gz AXEKFSPSBKMKTP-CYBMUJFWSA-N 1 0 268.313 1.158 20 5 CDBDRO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000362083889 159065390 /nfs/dbraw/zinc/06/53/90/159065390.db2.gz BVGWHCLFODJPOA-NWDGAFQWSA-N 1 0 280.324 1.534 20 5 CDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408122670 160703457 /nfs/dbraw/zinc/70/34/57/160703457.db2.gz YPVOEYINEIWFRB-MFKMUULPSA-N 1 0 292.339 1.622 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000026933258 171503057 /nfs/dbraw/zinc/50/30/57/171503057.db2.gz OPBWZBQMMKHLHK-UHFFFAOYSA-N 1 0 278.308 1.934 20 5 CDBDRO COc1ccc(C[NH2+]Cc2c(C)cnn2C)cc1[N+](=O)[O-] ZINC000285420864 196278606 /nfs/dbraw/zinc/27/86/06/196278606.db2.gz JRLAANJBAGUBMD-UHFFFAOYSA-N 1 0 290.323 1.935 20 5 CDBDRO COc1ccc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000489260139 414147077 /nfs/dbraw/zinc/14/70/77/414147077.db2.gz GGDQZBUAEXDLQE-HNNXBMFYSA-N 1 0 292.335 1.950 20 5 CDBDRO COc1ccc(C[NH2+]C[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000038094169 174107598 /nfs/dbraw/zinc/10/75/98/174107598.db2.gz FYGQCKWMNQROFR-NSHDSACASA-N 1 0 266.297 1.730 20 5 CDBDRO CC(C)COC[C@H](O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040676044 174373898 /nfs/dbraw/zinc/37/38/98/174373898.db2.gz IYQBSKNHSMUSQN-OAHLLOKOSA-N 1 0 296.367 1.760 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CC[NH2+]1 ZINC000286219310 196532202 /nfs/dbraw/zinc/53/22/02/196532202.db2.gz TUPOWZMFQRCVLB-RKDXNWHRSA-N 1 0 278.312 1.047 20 5 CDBDRO O=[N+]([O-])c1nn(C[C@@H]2CCC[NH2+]C2)cc1Br ZINC000043472179 175053647 /nfs/dbraw/zinc/05/36/47/175053647.db2.gz BROCHDJCAMWULA-SSDOTTSWSA-N 1 0 289.133 1.553 20 5 CDBDRO COc1ccc(C(=O)NC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000044501920 175185922 /nfs/dbraw/zinc/18/59/22/175185922.db2.gz MKNGSFRXCCDLHI-JTQLQIEISA-N 1 0 293.323 1.333 20 5 CDBDRO [NH3+]C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000044528246 175193109 /nfs/dbraw/zinc/19/31/09/175193109.db2.gz JYIHYGGMWGVVKG-SNVBAGLBSA-N 1 0 263.297 1.406 20 5 CDBDRO Cc1cc(C(=O)N2CCC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000044528684 175193688 /nfs/dbraw/zinc/19/36/88/175193688.db2.gz VYMCPFITCDFDHH-LLVKDONJSA-N 1 0 277.324 1.714 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000044540941 175201373 /nfs/dbraw/zinc/20/13/73/175201373.db2.gz UZTAHGWGQAWVIQ-SNVBAGLBSA-N 1 0 263.297 1.548 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000044555609 175202239 /nfs/dbraw/zinc/20/22/39/175202239.db2.gz ZFQMCQXUFYNURC-GFCCVEGCSA-N 1 0 278.312 1.940 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000070446770 175938551 /nfs/dbraw/zinc/93/85/51/175938551.db2.gz VXCZAXJGEBLGHZ-GFCCVEGCSA-N 1 0 265.313 1.616 20 5 CDBDRO COC[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000071269819 176103529 /nfs/dbraw/zinc/10/35/29/176103529.db2.gz NMNYCGMQLLONCY-JOYOIKCWSA-N 1 0 254.286 1.253 20 5 CDBDRO Cc1nn(C)c(N2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000078617735 177360864 /nfs/dbraw/zinc/36/08/64/177360864.db2.gz AYLVHOJXUUJYLM-SNVBAGLBSA-N 1 0 267.333 1.167 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000089090933 292584370 /nfs/dbraw/zinc/58/43/70/292584370.db2.gz MJXDVNJASNAWJL-WDEREUQCSA-N 1 0 277.324 1.760 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000322999822 260119446 /nfs/dbraw/zinc/11/94/46/260119446.db2.gz FHHAYEJTBAGKOI-SSDOTTSWSA-N 1 0 257.315 1.271 20 5 CDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000525805720 262368068 /nfs/dbraw/zinc/36/80/68/262368068.db2.gz KOUHOJFGRFJYTR-SNVBAGLBSA-N 1 0 295.314 1.806 20 5 CDBDRO Cc1cnc(N2CC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000127339952 264248806 /nfs/dbraw/zinc/24/88/06/264248806.db2.gz WFEUESCFOZIRKI-ZJUUUORDSA-N 1 0 250.302 1.472 20 5 CDBDRO COc1cc(C(=O)NCCC[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000190329623 270283135 /nfs/dbraw/zinc/28/31/35/270283135.db2.gz VTMFEICLGOHNLY-UHFFFAOYSA-N 1 0 295.339 1.593 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000313263671 270324644 /nfs/dbraw/zinc/32/46/44/270324644.db2.gz DNBRQJKCBPRXIE-WBTMPAOCSA-N 1 0 289.335 1.818 20 5 CDBDRO CC(C)[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H](C)[NH3+] ZINC000399600447 270374429 /nfs/dbraw/zinc/37/44/29/270374429.db2.gz VAUAACFWPGMPNA-RISCZKNCSA-N 1 0 293.367 1.873 20 5 CDBDRO C[NH+](C)C1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278331623 273792548 /nfs/dbraw/zinc/79/25/48/273792548.db2.gz IOAXKCWBYVUSIV-UHFFFAOYSA-N 1 0 290.245 1.759 20 5 CDBDRO COCC[C@@H](CO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449302174 274038853 /nfs/dbraw/zinc/03/88/53/274038853.db2.gz JKLOATFKWQOLHT-YPMHNXCESA-N 1 0 282.340 1.513 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418532248 274483929 /nfs/dbraw/zinc/48/39/29/274483929.db2.gz XNKLAMKLRYZRJL-SECBINFHSA-N 1 0 278.312 1.010 20 5 CDBDRO Cc1cc(N[C@H]2CCC[C@@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000092027815 274719864 /nfs/dbraw/zinc/71/98/64/274719864.db2.gz XHDCNGMPMFPEOO-ZJUUUORDSA-N 1 0 250.302 1.838 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CCC[NH2+]C1 ZINC000149424228 275033536 /nfs/dbraw/zinc/03/35/36/275033536.db2.gz KYIGZFXQKXIZFI-MRVPVSSYSA-N 1 0 256.693 1.807 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[NH+](C3CCC3)CC2)nc1 ZINC000408217195 275040837 /nfs/dbraw/zinc/04/08/37/275040837.db2.gz DXQCSBCDUROTKL-UHFFFAOYSA-N 1 0 263.301 1.059 20 5 CDBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C3CCC3)CC2)nc1 ZINC000295963492 275041202 /nfs/dbraw/zinc/04/12/02/275041202.db2.gz JSWDTSRCHUIXFG-UHFFFAOYSA-N 1 0 277.328 1.814 20 5 CDBDRO CCc1ccc(C(=O)N(C)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000179115729 276665771 /nfs/dbraw/zinc/66/57/71/276665771.db2.gz AYKKPPVOZZZAJJ-LBPRGKRZSA-N 1 0 277.324 1.591 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)CC[NH+](C)C ZINC000288118338 276709700 /nfs/dbraw/zinc/70/97/00/276709700.db2.gz LHHTZAOCMRFPQS-SECBINFHSA-N 1 0 269.349 1.872 20 5 CDBDRO CN(CC[NH3+])c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000234282005 276942345 /nfs/dbraw/zinc/94/23/45/276942345.db2.gz UTEJZLOCRNMSRT-UHFFFAOYSA-N 1 0 264.207 1.404 20 5 CDBDRO C[NH+]1CCC([C@@H]2CCN(c3ncc([N+](=O)[O-])cn3)C2)CC1 ZINC000364858649 277033394 /nfs/dbraw/zinc/03/33/94/277033394.db2.gz RUBGZLJSVLQYJN-GFCCVEGCSA-N 1 0 291.355 1.553 20 5 CDBDRO CN1C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000278852104 277194997 /nfs/dbraw/zinc/19/49/97/277194997.db2.gz VRIUXRJRQXBHKC-FZMZJTMJSA-N 1 0 289.335 1.793 20 5 CDBDRO CN1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000278852110 277205265 /nfs/dbraw/zinc/20/52/65/277205265.db2.gz VRIUXRJRQXBHKC-RISCZKNCSA-N 1 0 289.335 1.793 20 5 CDBDRO CC(C)c1ccc(CN2CCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000357972496 278036532 /nfs/dbraw/zinc/03/65/32/278036532.db2.gz VHHSVAMDNDHDCV-CYBMUJFWSA-N 1 0 293.367 1.878 20 5 CDBDRO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H](C)[NH3+] ZINC000449595076 278330545 /nfs/dbraw/zinc/33/05/45/278330545.db2.gz ZRYCQDHBGLDPRX-JGVFFNPUSA-N 1 0 277.280 1.807 20 5 CDBDRO O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCCC[NH2+]1 ZINC000236582505 280128981 /nfs/dbraw/zinc/12/89/81/280128981.db2.gz JDDSFNNRJKAIGA-JTQLQIEISA-N 1 0 279.296 1.771 20 5 CDBDRO CC[C@@H](CO)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447601667 280150344 /nfs/dbraw/zinc/15/03/44/280150344.db2.gz QSEPNSDMVGDGND-SDDRHHMPSA-N 1 0 282.344 1.636 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000237989427 280195709 /nfs/dbraw/zinc/19/57/09/280195709.db2.gz ZVXPPIMQRJQIMV-GHMZBOCLSA-N 1 0 292.339 1.250 20 5 CDBDRO Cc1c(NC(=O)NC[C@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000414718502 280244603 /nfs/dbraw/zinc/24/46/03/280244603.db2.gz ZESBEPNDPQQYDY-MRVPVSSYSA-N 1 0 266.301 1.620 20 5 CDBDRO Cc1nc(NCC2([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000397971424 280710708 /nfs/dbraw/zinc/71/07/08/280710708.db2.gz MSLNJUJVFWVYJF-UHFFFAOYSA-N 1 0 250.302 1.226 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C(C)(C)C2)c1 ZINC000423715911 280761886 /nfs/dbraw/zinc/76/18/86/280761886.db2.gz ZSGZQKPANTZWTO-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000228086016 281014302 /nfs/dbraw/zinc/01/43/02/281014302.db2.gz XJZJWXMDNNLPRD-NXEZZACHSA-N 1 0 250.302 1.472 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000563169031 293296976 /nfs/dbraw/zinc/29/69/76/293296976.db2.gz CXTIBQFAUBJJEX-SFYZADRCSA-N 1 0 266.301 1.033 20 5 CDBDRO Cc1c(CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000564935340 293461873 /nfs/dbraw/zinc/46/18/73/293461873.db2.gz ZVGHAVUQEDWJQY-UWVGGRQHSA-N 1 0 294.355 1.828 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000567337340 293761510 /nfs/dbraw/zinc/76/15/10/293761510.db2.gz AWXARLNFYNOOBP-NSHDSACASA-N 1 0 292.339 1.400 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000569555444 294195804 /nfs/dbraw/zinc/19/58/04/294195804.db2.gz QRGWMRMUWIWGKO-SNVBAGLBSA-N 1 0 294.311 1.429 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000570424736 294237121 /nfs/dbraw/zinc/23/71/21/294237121.db2.gz JRRGXNBIWFZUIC-JTQLQIEISA-N 1 0 296.327 1.010 20 5 CDBDRO CC(C)=CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000571158882 294378319 /nfs/dbraw/zinc/37/83/19/294378319.db2.gz ZFKRLGYDAQGFMN-ZDUSSCGKSA-N 1 0 280.324 1.890 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000573583240 294847739 /nfs/dbraw/zinc/84/77/39/294847739.db2.gz XHPZMVWOSPZADE-ZDUSSCGKSA-N 1 0 292.339 1.488 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000237946340 295265171 /nfs/dbraw/zinc/26/51/71/295265171.db2.gz FMWBLYCGKFWONY-LLVKDONJSA-N 1 0 293.323 1.313 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c1[N+](=O)[O-] ZINC000261785896 301299685 /nfs/dbraw/zinc/29/96/85/301299685.db2.gz KLXUECOXBXANOE-VHSXEESVSA-N 1 0 295.314 1.852 20 5 CDBDRO CC[N@H+](C)C[C@@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000563352563 316263418 /nfs/dbraw/zinc/26/34/18/316263418.db2.gz JFVCGJMDASAHHH-FZMZJTMJSA-N 1 0 281.356 1.558 20 5 CDBDRO C[NH2+]CCS[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000577176609 317278896 /nfs/dbraw/zinc/27/88/96/317278896.db2.gz ZMEBOPIVKPNOFD-SECBINFHSA-N 1 0 283.353 1.874 20 5 CDBDRO CC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@H]1CCCO1 ZINC000182277555 323271111 /nfs/dbraw/zinc/27/11/11/323271111.db2.gz RKCKKDXPWSGKCE-GHMZBOCLSA-N 1 0 268.317 1.339 20 5 CDBDRO CC(C)[NH2+]CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000581440510 324748801 /nfs/dbraw/zinc/74/88/01/324748801.db2.gz ILLGGDRCRPIIQE-UHFFFAOYSA-N 1 0 279.340 1.944 20 5 CDBDRO C[NH2+][C@@H](C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000582855972 325059530 /nfs/dbraw/zinc/05/95/30/325059530.db2.gz HNBIWBWKSHQBCG-NSHDSACASA-N 1 0 279.340 1.642 20 5 CDBDRO O=c1c([N+](=O)[O-])cccn1CC[C@@H]1CCC[NH2+]C1 ZINC000583751016 325233927 /nfs/dbraw/zinc/23/39/27/325233927.db2.gz XYKJFIIGAONSBL-JTQLQIEISA-N 1 0 251.286 1.146 20 5 CDBDRO Cc1c(CNC(=O)N2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000418079206 533854540 /nfs/dbraw/zinc/85/45/40/533854540.db2.gz KMDWLOAAHIJDRX-UHFFFAOYSA-N 1 0 278.312 1.018 20 5 CDBDRO COc1nc(C)c(-n2c(C)cnc2C[NH3+])cc1[N+](=O)[O-] ZINC001169029438 1161997557 /nfs/dbraw/zinc/99/75/57/1161997557.db2.gz PKCIJLYBNCZUNT-UHFFFAOYSA-N 1 0 277.284 1.260 20 5 CDBDRO CC(C)[NH2+]CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943244 519719858 /nfs/dbraw/zinc/71/98/58/519719858.db2.gz ONDIHJKLFBIYBO-UHFFFAOYSA-N 1 0 251.286 1.209 20 5 CDBDRO CCC[NH2+]CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000236763458 519914960 /nfs/dbraw/zinc/91/49/60/519914960.db2.gz RMOUMEVUWLPRNE-UHFFFAOYSA-N 1 0 281.312 1.089 20 5 CDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[NH2+]1 ZINC000417930730 534471514 /nfs/dbraw/zinc/47/15/14/534471514.db2.gz BEVDWSCIHQVMOC-LBPRGKRZSA-N 1 0 292.339 1.189 20 5 CDBDRO C[NH2+]CC1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000063159263 521977432 /nfs/dbraw/zinc/97/74/32/521977432.db2.gz UILKHUGFXNHFIG-UHFFFAOYSA-N 1 0 283.353 1.728 20 5 CDBDRO COc1cc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000186729844 522148382 /nfs/dbraw/zinc/14/83/82/522148382.db2.gz LRZNOWXDZMKTJY-ONGXEEELSA-N 1 0 293.323 1.331 20 5 CDBDRO COc1cc(N2CCC[C@H](C[NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000227859933 522632957 /nfs/dbraw/zinc/63/29/57/522632957.db2.gz IBCFTRUGNXPJLZ-SECBINFHSA-N 1 0 283.303 1.918 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCCC1 ZINC000050683008 522642659 /nfs/dbraw/zinc/64/26/59/522642659.db2.gz PEEXVQAQWOIEKD-UHFFFAOYSA-N 1 0 292.339 1.462 20 5 CDBDRO CN(CCC[NH+]1CCCC1)CCn1cc([N+](=O)[O-])cn1 ZINC000337284017 522748991 /nfs/dbraw/zinc/74/89/91/522748991.db2.gz YPFVCMXWUSHBIO-UHFFFAOYSA-N 1 0 281.360 1.209 20 5 CDBDRO CC[C@H]1[C@H](C)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000185676232 523435384 /nfs/dbraw/zinc/43/53/84/523435384.db2.gz JQRLGMKOEUQBHK-PWSUYJOCSA-N 1 0 252.318 1.912 20 5 CDBDRO Cc1cc(NC[C@@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000068806814 525275244 /nfs/dbraw/zinc/27/52/44/525275244.db2.gz QTUJZPODLLLJSM-CYBMUJFWSA-N 1 0 278.356 1.561 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1C[NH+]2CCC1CC2 ZINC000052812230 525578437 /nfs/dbraw/zinc/57/84/37/525578437.db2.gz ZYSRJTBQFGXDCU-LBPRGKRZSA-N 1 0 262.313 1.804 20 5 CDBDRO Cc1ccn(CC[C@@H]2CCCC[N@H+]2C)c(=O)c1[N+](=O)[O-] ZINC000340696815 525600594 /nfs/dbraw/zinc/60/05/94/525600594.db2.gz WLMFVCMEFWAZMZ-LBPRGKRZSA-N 1 0 279.340 1.939 20 5 CDBDRO Cc1c(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000186807822 525649185 /nfs/dbraw/zinc/64/91/85/525649185.db2.gz SODYGDUDGVHLMY-CABZTGNLSA-N 1 0 277.324 1.631 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417764677 529060361 /nfs/dbraw/zinc/06/03/61/529060361.db2.gz MTBZHGILYOPYBL-GFCCVEGCSA-N 1 0 294.355 1.420 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261699232 535969274 /nfs/dbraw/zinc/96/92/74/535969274.db2.gz IJEDCRMQPLGICI-WDEREUQCSA-N 1 0 279.344 1.165 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000269210634 536950122 /nfs/dbraw/zinc/95/01/22/536950122.db2.gz NQFALVLSZNJDTD-CABZTGNLSA-N 1 0 293.323 1.413 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000427335837 536951982 /nfs/dbraw/zinc/95/19/82/536951982.db2.gz OSPABHIJGPJTOM-SNVBAGLBSA-N 1 0 293.323 1.219 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422720757 536955434 /nfs/dbraw/zinc/95/54/34/536955434.db2.gz TVZIQCNFHKDXIR-GWCFXTLKSA-N 1 0 279.340 1.834 20 5 CDBDRO CN(CC1CC[NH2+]CC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000094021951 1174457965 /nfs/dbraw/zinc/45/79/65/1174457965.db2.gz MECCTUNONYKIID-UHFFFAOYSA-N 1 0 283.353 1.728 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H](CO)C2CC2)cc1 ZINC000771807792 575615871 /nfs/dbraw/zinc/61/58/71/575615871.db2.gz LVEPWAWPZIMPOQ-AWEZNQCLSA-N 1 0 280.324 1.724 20 5 CDBDRO O=c1c([N+](=O)[O-])cn(CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000767057659 576156685 /nfs/dbraw/zinc/15/66/85/576156685.db2.gz BVNIMVHLTPSLRX-UHFFFAOYSA-N 1 0 296.283 1.151 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000768528306 576293530 /nfs/dbraw/zinc/29/35/30/576293530.db2.gz XMKOYOANBBOYAS-WDEREUQCSA-N 1 0 289.339 1.771 20 5 CDBDRO C[C@@H]1OCC[C@]1(C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000755170499 576934224 /nfs/dbraw/zinc/93/42/24/576934224.db2.gz SKJCKJVXLYYCKR-GDLCADMTSA-N 1 0 280.324 1.785 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CCOCC2)c1 ZINC000749677726 576957286 /nfs/dbraw/zinc/95/72/86/576957286.db2.gz QUUBEEFABIOKIG-ZDUSSCGKSA-N 1 0 266.297 1.397 20 5 CDBDRO C[NH+](C)CCSc1nc2ccccn2c1[N+](=O)[O-] ZINC000756766020 577003454 /nfs/dbraw/zinc/00/34/54/577003454.db2.gz HSJRPGNUPHAOSM-UHFFFAOYSA-N 1 0 266.326 1.896 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCNc2ncccn2)cc1 ZINC000751507932 577046593 /nfs/dbraw/zinc/04/65/93/577046593.db2.gz ZHUOYLMGTMRHGQ-UHFFFAOYSA-N 1 0 287.323 1.977 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NCCc1ccccc1[N+](=O)[O-] ZINC000925513804 617420132 /nfs/dbraw/zinc/42/01/32/617420132.db2.gz MBZJFFFZLRVYHY-CYBMUJFWSA-N 1 0 263.341 1.867 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000930579815 617449588 /nfs/dbraw/zinc/44/95/88/617449588.db2.gz XYJCZPCAMPDDNR-UHFFFAOYSA-N 1 0 282.315 1.784 20 5 CDBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1c([N+](=O)[O-])cnn1C ZINC000891971951 617911165 /nfs/dbraw/zinc/91/11/65/617911165.db2.gz WMBSUZRRQZCXBI-MNOVXSKESA-N 1 0 281.360 1.861 20 5 CDBDRO COc1c(O)ccc(CNC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000893343803 617609747 /nfs/dbraw/zinc/60/97/47/617609747.db2.gz KDQGBMUZOUVEDZ-VIFPVBQESA-N 1 0 283.328 1.349 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000892938659 617932102 /nfs/dbraw/zinc/93/21/02/617932102.db2.gz GVZDXFIOWDXQMV-SNVBAGLBSA-N 1 0 281.312 1.103 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@H](C)[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000893069106 618124895 /nfs/dbraw/zinc/12/48/95/618124895.db2.gz BGMVRQNOBUILNP-KOLCDFICSA-N 1 0 296.323 1.824 20 5 CDBDRO [NH3+]CCc1noc(COc2ccccc2[N+](=O)[O-])n1 ZINC000843129054 618693764 /nfs/dbraw/zinc/69/37/64/618693764.db2.gz QFSJIDOFLJGMEZ-UHFFFAOYSA-N 1 0 264.241 1.058 20 5 CDBDRO [NH3+]CCc1noc(CSc2ccc([N+](=O)[O-])cc2)n1 ZINC000843129138 618693826 /nfs/dbraw/zinc/69/38/26/618693826.db2.gz SIRKIGPOJZJGQG-UHFFFAOYSA-N 1 0 280.309 1.771 20 5 CDBDRO CCC[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000895057029 619242561 /nfs/dbraw/zinc/24/25/61/619242561.db2.gz CSHXMJUWCJFJDN-VIFPVBQESA-N 1 0 268.292 1.707 20 5 CDBDRO C[C@@H]([NH2+]CCO[C@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927081239 621689415 /nfs/dbraw/zinc/68/94/15/621689415.db2.gz NNQQCGNPFZNMSK-PWSUYJOCSA-N 1 0 295.339 1.633 20 5 CDBDRO Cc1nn(C)c(N2CCC(C(C)(C)C[NH3+])CC2)c1[N+](=O)[O-] ZINC000900409461 623014550 /nfs/dbraw/zinc/01/45/50/623014550.db2.gz QWXGNTJSPXJCCY-UHFFFAOYSA-N 1 0 295.387 1.838 20 5 CDBDRO CNc1ccccc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000902335428 624695242 /nfs/dbraw/zinc/69/52/42/624695242.db2.gz BDXBUPZSMNARPE-UHFFFAOYSA-N 1 0 275.312 1.623 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN[C@H]1CC[NH2+]C12CCCC2 ZINC000903481893 626006265 /nfs/dbraw/zinc/00/62/65/626006265.db2.gz PPLSAOIJCOWDBG-LBPRGKRZSA-N 1 0 276.340 1.754 20 5 CDBDRO C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+]CC[N+](=O)[O-] ZINC000905132202 626646607 /nfs/dbraw/zinc/64/66/07/626646607.db2.gz KPPPQIKPYGBWCS-CQSZACIVSA-N 1 0 292.383 1.063 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNCC[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000905133063 626647401 /nfs/dbraw/zinc/64/74/01/626647401.db2.gz OTWUDNPJIBABAE-WCQYABFASA-N 1 0 283.397 1.997 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCOCc1ccc(Cl)cc1 ZINC000905186622 626666717 /nfs/dbraw/zinc/66/67/17/626666717.db2.gz JCXXCTFDOGMNMK-UHFFFAOYSA-N 1 0 258.705 1.723 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCc1nc2c(s1)CCCC2 ZINC000905192324 626670136 /nfs/dbraw/zinc/67/01/36/626670136.db2.gz ZIOLPGCKKWAFHP-UHFFFAOYSA-N 1 0 255.343 1.431 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000905192495 626670190 /nfs/dbraw/zinc/67/01/90/626670190.db2.gz UKZJPEFQHFRCRF-NSHDSACASA-N 1 0 267.304 1.661 20 5 CDBDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CC[N+](=O)[O-])CC1 ZINC000905231131 626685524 /nfs/dbraw/zinc/68/55/24/626685524.db2.gz PKEBJOZFEBZHMX-LLVKDONJSA-N 1 0 287.360 1.642 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000905348610 626762254 /nfs/dbraw/zinc/76/22/54/626762254.db2.gz GIKOATMJZNDFEI-JTQLQIEISA-N 1 0 279.123 1.893 20 5 CDBDRO CCC[C@H](O)CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000905588805 626879002 /nfs/dbraw/zinc/87/90/02/626879002.db2.gz MDJMBXJMLXYWJF-KBPBESRZSA-N 1 0 282.340 1.769 20 5 CDBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000911647054 629392680 /nfs/dbraw/zinc/39/26/80/629392680.db2.gz NIQQECBSQYYADL-QWHCGFSZSA-N 1 0 275.308 1.130 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000911734180 629455740 /nfs/dbraw/zinc/45/57/40/629455740.db2.gz JWNXVKXMFKODRO-GDLCADMTSA-N 1 0 289.335 1.506 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911764710 629481820 /nfs/dbraw/zinc/48/18/20/629481820.db2.gz OPNWQSMIMSXBRS-VXGBXAGGSA-N 1 0 277.324 1.552 20 5 CDBDRO Cc1nn(CN2CC[C@H](C[NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000153159156 631477243 /nfs/dbraw/zinc/47/72/43/631477243.db2.gz VSOXVYZPFPVUOS-GFCCVEGCSA-N 1 0 281.360 1.249 20 5 CDBDRO C[N@@H+]1CC[C@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000920599255 632809901 /nfs/dbraw/zinc/80/99/01/632809901.db2.gz OQYTWYZSSFRBCM-LBPRGKRZSA-N 1 0 292.339 1.141 20 5 CDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000921681489 633161584 /nfs/dbraw/zinc/16/15/84/633161584.db2.gz XDMMSXKCNDKYSL-CYBMUJFWSA-N 1 0 292.339 1.141 20 5 CDBDRO CN(CC[NH3+])CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC001170502759 1162665225 /nfs/dbraw/zinc/66/52/25/1162665225.db2.gz MWSGGRHKHGUPMF-UHFFFAOYSA-N 1 0 289.339 1.445 20 5 CDBDRO Cc1nc(-n2ncc3c2cccc3C[NH3+])ncc1[N+](=O)[O-] ZINC001158313018 1162848830 /nfs/dbraw/zinc/84/88/30/1162848830.db2.gz RKKSTXLWQHWUKU-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2c1)[C@@H]1C[NH2+]CCO1 ZINC001170571771 1162966244 /nfs/dbraw/zinc/96/62/44/1162966244.db2.gz ZRFQZGXLRUMPCP-ONGXEEELSA-N 1 0 291.311 1.031 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000148832658 1160180110 /nfs/dbraw/zinc/18/01/10/1160180110.db2.gz WLTITEBOWRJYMQ-QMMMGPOBSA-N 1 0 269.276 1.319 20 5 CDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnco1 ZINC001132030360 1163154184 /nfs/dbraw/zinc/15/41/84/1163154184.db2.gz RSZLGDFOEFQYHH-UHFFFAOYSA-N 1 0 290.279 1.102 20 5 CDBDRO COC[C@H](CCO)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873058520 1165508466 /nfs/dbraw/zinc/50/84/66/1165508466.db2.gz PVHVKCQHPAXYGA-LBPRGKRZSA-N 1 0 282.340 1.699 20 5 CDBDRO CC(C)(C[NH3+])c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000124980558 1165626381 /nfs/dbraw/zinc/62/63/81/1165626381.db2.gz GIXDOXASQOVPMG-UHFFFAOYSA-N 1 0 262.269 1.881 20 5 CDBDRO CCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000037669342 1165782507 /nfs/dbraw/zinc/78/25/07/1165782507.db2.gz FKESVXXZWFEILI-UHFFFAOYSA-N 1 0 295.314 1.948 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879696076 1166397338 /nfs/dbraw/zinc/39/73/38/1166397338.db2.gz HOBYNNVRHQCNTF-RWMBFGLXSA-N 1 0 294.351 1.497 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001155537394 1167220722 /nfs/dbraw/zinc/22/07/22/1167220722.db2.gz JRJPBYOMUNLNDL-LDYMZIIASA-N 1 0 284.703 1.186 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1N[C@H]1C[NH2+]Cc2ccsc21 ZINC001155565928 1167232762 /nfs/dbraw/zinc/23/27/62/1167232762.db2.gz VSHPTEOQMZVTCJ-JTQLQIEISA-N 1 0 291.336 1.890 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC001579459545 1172184854 /nfs/dbraw/zinc/18/48/54/1172184854.db2.gz HGERZFCKCDSHSD-SFYZADRCSA-N 1 0 299.277 1.458 20 5 CDBDRO Cc1cc(NCc2cn(C3C[NH2+]C3)nn2)ccc1[N+](=O)[O-] ZINC001579635300 1172228917 /nfs/dbraw/zinc/22/89/17/1172228917.db2.gz CXNLCZCCZYPYHL-UHFFFAOYSA-N 1 0 288.311 1.251 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)CCCC[NH3+])n1 ZINC001579642577 1172233284 /nfs/dbraw/zinc/23/32/84/1172233284.db2.gz LMTNQDGFCZEXPO-SECBINFHSA-N 1 0 280.328 1.546 20 5 CDBDRO Cc1ccc(NC(=O)[C@@H]2[C@@H]3C[NH2+]CC[C@@H]32)c(N)c1[N+](=O)[O-] ZINC001579715548 1172247126 /nfs/dbraw/zinc/24/71/26/1172247126.db2.gz VLEFJTJXSWXRQZ-NGZCFLSTSA-N 1 0 290.323 1.279 20 5 CDBDRO O=C(OC1C[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001580801404 1172540958 /nfs/dbraw/zinc/54/09/58/1172540958.db2.gz PUZNZAFQAAIAIG-UHFFFAOYSA-N 1 0 263.253 1.066 20 5 CDBDRO C[NH+](C)CCSc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001591021497 1173563405 /nfs/dbraw/zinc/56/34/05/1173563405.db2.gz MVQPKDDOKHEDIT-UHFFFAOYSA-N 1 0 294.340 1.429 20 5 CDBDRO CN(CC1CC[NH2+]CC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000094022057 1174457916 /nfs/dbraw/zinc/45/79/16/1174457916.db2.gz CHYFTLJEJDMTJI-UHFFFAOYSA-N 1 0 277.324 1.666 20 5 CDBDRO C[NH2+][C@H]1CCCN(c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000155921111 1178168274 /nfs/dbraw/zinc/16/82/74/1178168274.db2.gz UWSKYPQCGYWUER-JTQLQIEISA-N 1 0 265.313 1.792 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[NH2+]C2(CC2)C1 ZINC001158933693 1163846998 /nfs/dbraw/zinc/84/69/98/1163846998.db2.gz SQZSFHXCZMDIKH-UHFFFAOYSA-N 1 0 252.249 1.071 20 5 CDBDRO C[N@@H+]1CCO[C@H]2CN(c3nccc(Cl)c3[N+](=O)[O-])C[C@@H]21 ZINC001164667992 719372669 /nfs/dbraw/zinc/37/26/69/719372669.db2.gz MKTYNTONIGOSQD-UWVGGRQHSA-N 1 0 298.730 1.162 20 5 CDBDRO CC[N@H+](CCC(=O)NC)Cc1ccc([N+](=O)[O-])cc1F ZINC000933867097 735308217 /nfs/dbraw/zinc/30/82/17/735308217.db2.gz GXALXOOQVJOGHH-UHFFFAOYSA-N 1 0 283.303 1.692 20 5 CDBDRO Nc1ccc(OCC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000818617774 735327004 /nfs/dbraw/zinc/32/70/04/735327004.db2.gz JJXNVXZJFCXVQO-VIFPVBQESA-N 1 0 251.286 1.555 20 5 CDBDRO COCC[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818991893 735484214 /nfs/dbraw/zinc/48/42/14/735484214.db2.gz KYJWSLSGPRKYMY-ZWNOBZJWSA-N 1 0 268.313 1.643 20 5 CDBDRO [NH3+]C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000843069528 735790397 /nfs/dbraw/zinc/79/03/97/735790397.db2.gz RFTLKEPUVMEWPI-LLVKDONJSA-N 1 0 285.731 1.408 20 5 CDBDRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839455338 735811203 /nfs/dbraw/zinc/81/12/03/735811203.db2.gz PHMXISIWXYKVLN-BFHYXJOUSA-N 1 0 289.335 1.042 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](C)C[NH3+])CC2 ZINC000818609049 735832988 /nfs/dbraw/zinc/83/29/88/735832988.db2.gz PFJMUTBGTSQLDZ-VIFPVBQESA-N 1 0 263.297 1.387 20 5 CDBDRO NC(CCO)=NOCc1ccc([N+](=O)[O-])cc1Cl ZINC000780126343 735844883 /nfs/dbraw/zinc/84/48/83/735844883.db2.gz YYUUUTRBIUMKOQ-UHFFFAOYSA-N 1 0 273.676 1.629 20 5 CDBDRO C[NH2+]C(C)(C)CNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001609289602 1164884065 /nfs/dbraw/zinc/88/40/65/1164884065.db2.gz MXFZYHRPMJIEOE-UHFFFAOYSA-N 1 0 291.315 1.185 20 5 CDBDRO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[NH2+]1 ZINC000175395504 733226470 /nfs/dbraw/zinc/22/64/70/733226470.db2.gz AXDZOZFLFBEHEV-UHFFFAOYSA-N 1 0 269.326 1.480 20 5 CDBDRO CC[N@@H+]1CCN(c2ccc(N)cc2[N+](=O)[O-])C[C@H]1C ZINC000804573838 733359499 /nfs/dbraw/zinc/35/94/99/733359499.db2.gz QBEQCEDMMLPHND-SNVBAGLBSA-N 1 0 264.329 1.707 20 5 CDBDRO C[C@H]1COC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000932495076 733414987 /nfs/dbraw/zinc/41/49/87/733414987.db2.gz XIXRAZHPVPNNAJ-GXFFZTMASA-N 1 0 293.323 1.182 20 5 CDBDRO CO[C@@H](C[NH3+])Cc1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000823270872 733464585 /nfs/dbraw/zinc/46/45/85/733464585.db2.gz WKLZGKYMQSGKHQ-SECBINFHSA-N 1 0 292.295 1.469 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCN(C)C1 ZINC000850432098 733544021 /nfs/dbraw/zinc/54/40/21/733544021.db2.gz QZTWQFOYRXSVGM-WDEREUQCSA-N 1 0 279.340 1.958 20 5 CDBDRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000312591508 733693572 /nfs/dbraw/zinc/69/35/72/733693572.db2.gz QBXHZXFAMMMNQY-ZYHUDNBSSA-N 1 0 277.324 1.742 20 5 CDBDRO Cc1nn(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000808192685 733726943 /nfs/dbraw/zinc/72/69/43/733726943.db2.gz RDFJUYZAFGHLKE-OLZOCXBDSA-N 1 0 293.371 1.616 20 5 CDBDRO CC[C@H]([NH3+])c1cn(Cc2ccc([N+](=O)[O-])c(F)c2)nn1 ZINC000229934680 733751812 /nfs/dbraw/zinc/75/18/12/733751812.db2.gz LIRTWGLBUCICAX-JTQLQIEISA-N 1 0 279.275 1.784 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)CC(N)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788631842 733789678 /nfs/dbraw/zinc/78/96/78/733789678.db2.gz OBORSKGQCMSTAN-JGVFFNPUSA-N 1 0 266.301 1.092 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000822634537 733800146 /nfs/dbraw/zinc/80/01/46/733800146.db2.gz HVXGTBOMNOAJDZ-VXNVDRBHSA-N 1 0 289.295 1.692 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000845739341 733825598 /nfs/dbraw/zinc/82/55/98/733825598.db2.gz RUIUGGQOSNSMEW-JTQLQIEISA-N 1 0 295.339 1.963 20 5 CDBDRO C[C@@H]([NH2+]CCC1CC(O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815621222 733828970 /nfs/dbraw/zinc/82/89/70/733828970.db2.gz PCLHDSXJIBSAIM-GRZMOONWSA-N 1 0 279.340 1.989 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000789802093 733830382 /nfs/dbraw/zinc/83/03/82/733830382.db2.gz UBBMJDMHNGSFLZ-GFCCVEGCSA-N 1 0 298.343 1.229 20 5 CDBDRO C[C@H]1COC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000932490856 733864546 /nfs/dbraw/zinc/86/45/46/733864546.db2.gz FOZQRPCAKPQBBY-UFBFGSQYSA-N 1 0 276.296 1.596 20 5 CDBDRO COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[N@H+](C)C1 ZINC000840358409 733868993 /nfs/dbraw/zinc/86/89/93/733868993.db2.gz AGDRGNNJPKKIIL-NSHDSACASA-N 1 0 293.323 1.136 20 5 CDBDRO COc1cc(C[NH2+]C2CSC2)c([N+](=O)[O-])cc1OC ZINC000877635072 733881336 /nfs/dbraw/zinc/88/13/36/733881336.db2.gz BIZVVKDGOSNXMJ-UHFFFAOYSA-N 1 0 284.337 1.817 20 5 CDBDRO C[NH+](C)CCNC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000013765447 733885958 /nfs/dbraw/zinc/88/59/58/733885958.db2.gz CRASODCFHGHXFJ-UHFFFAOYSA-N 1 0 268.342 1.443 20 5 CDBDRO O=C(Nc1ccc(O)cc1)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929926518 733893207 /nfs/dbraw/zinc/89/32/07/733893207.db2.gz DMIJXEOQGAGBRM-UHFFFAOYSA-N 1 0 293.323 1.319 20 5 CDBDRO O=[N+]([O-])c1ccnn1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000172485329 733950910 /nfs/dbraw/zinc/95/09/10/733950910.db2.gz NNGMPGIDCUGXCR-GFCCVEGCSA-N 1 0 279.344 1.309 20 5 CDBDRO COCC1=CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000775826833 733953122 /nfs/dbraw/zinc/95/31/22/733953122.db2.gz NEKBQUYYCKPGCO-HNNXBMFYSA-N 1 0 292.335 1.907 20 5 CDBDRO CO[C@@H](C[NH3+])Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000823069063 733967842 /nfs/dbraw/zinc/96/78/42/733967842.db2.gz CMQBJSXRLFPIGS-ZCFIWIBFSA-N 1 0 284.297 1.223 20 5 CDBDRO Cc1c(CC(=O)NC[C@H]2C[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000870966158 733981100 /nfs/dbraw/zinc/98/11/00/733981100.db2.gz ZCHZMDRATFUACK-KLPPZKSPSA-N 1 0 277.324 1.299 20 5 CDBDRO O=C(N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034645268 734035028 /nfs/dbraw/zinc/03/50/28/734035028.db2.gz QQAXSSLOBMGPKJ-AAVRWANBSA-N 1 0 295.383 1.469 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](c3ccccn3)C2)c1 ZINC000799191465 734040831 /nfs/dbraw/zinc/04/08/31/734040831.db2.gz LMPWQVKYYPZGHG-GFCCVEGCSA-N 1 0 287.323 1.676 20 5 CDBDRO Cc1c(CC(=O)N[C@@H]2C[C@@H]([NH3+])C2(C)C)cccc1[N+](=O)[O-] ZINC000884360174 734085084 /nfs/dbraw/zinc/08/50/84/734085084.db2.gz WOCPEYOOUSRUKS-CHWSQXEVSA-N 1 0 291.351 1.688 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[NH2+]2)c1C ZINC000884024065 734115459 /nfs/dbraw/zinc/11/54/59/734115459.db2.gz GBKHLTXSTGJCSA-LLVKDONJSA-N 1 0 277.324 1.693 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]([NH3+])C(C)C)c1C ZINC000884034617 734120365 /nfs/dbraw/zinc/12/03/65/734120365.db2.gz IHFZFLFMJNKRNC-NSHDSACASA-N 1 0 279.340 1.925 20 5 CDBDRO CCc1nn(C)c(NCC([NH3+])(CC)CC)c1[N+](=O)[O-] ZINC000130056959 734156696 /nfs/dbraw/zinc/15/66/96/734156696.db2.gz PLHFZEVEVIZAOH-UHFFFAOYSA-N 1 0 269.349 1.820 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000930341757 734203231 /nfs/dbraw/zinc/20/32/31/734203231.db2.gz KHPFSQCIYNSREL-ZDUSSCGKSA-N 1 0 284.743 1.908 20 5 CDBDRO C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000094340662 734235277 /nfs/dbraw/zinc/23/52/77/734235277.db2.gz HTXRVURZGYIMJB-SKDRFNHKSA-N 1 0 278.312 1.796 20 5 CDBDRO Cc1cc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000261582185 734239991 /nfs/dbraw/zinc/23/99/91/734239991.db2.gz GOOUMOXPXZCECN-MNOVXSKESA-N 1 0 262.313 1.486 20 5 CDBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000776582226 734240755 /nfs/dbraw/zinc/24/07/55/734240755.db2.gz MQTBNZMVRAEEBA-CHWSQXEVSA-N 1 0 266.297 1.349 20 5 CDBDRO CC[NH+]1CCN(CCNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000853153324 734241380 /nfs/dbraw/zinc/24/13/80/734241380.db2.gz MBYKACFEXJHENC-UHFFFAOYSA-N 1 0 296.346 1.783 20 5 CDBDRO CSC[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819088591 734254321 /nfs/dbraw/zinc/25/43/21/734254321.db2.gz UKHMXAYVTHBPGS-SKDRFNHKSA-N 1 0 270.354 1.969 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](CF)C1 ZINC000880299819 734271715 /nfs/dbraw/zinc/27/17/15/734271715.db2.gz YBJWMKFJJXBESF-NWDGAFQWSA-N 1 0 298.314 1.626 20 5 CDBDRO C[C@H]([NH3+])CN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000863567054 734324732 /nfs/dbraw/zinc/32/47/32/734324732.db2.gz BGYDMOAMLINTAE-VIFPVBQESA-N 1 0 298.318 1.342 20 5 CDBDRO Cn1ncc(CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000815144598 734336247 /nfs/dbraw/zinc/33/62/47/734336247.db2.gz KTWPTMJKCDYXBM-UHFFFAOYSA-N 1 0 275.312 1.446 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H]3C[C@H]3C2)cc1 ZINC000852636156 734367790 /nfs/dbraw/zinc/36/77/90/734367790.db2.gz OYEZBHOWZXNKDL-SGMGOOAPSA-N 1 0 262.309 1.970 20 5 CDBDRO CON1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819373859 734413243 /nfs/dbraw/zinc/41/32/43/734413243.db2.gz LIFGZDHGAXFIPX-AWEZNQCLSA-N 1 0 295.339 1.244 20 5 CDBDRO COc1ccc(CNC(=O)N(C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000861565092 734489633 /nfs/dbraw/zinc/48/96/33/734489633.db2.gz SUBQUPGEUKRRPQ-SECBINFHSA-N 1 0 296.327 1.092 20 5 CDBDRO CC[NH+](CC)CCCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822182165 734504273 /nfs/dbraw/zinc/50/42/73/734504273.db2.gz GDCMVQPTLRRKER-UHFFFAOYSA-N 1 0 273.377 1.670 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000843480406 734526727 /nfs/dbraw/zinc/52/67/27/734526727.db2.gz WTUXEZUVWCDVSN-VYUIOLGVSA-N 1 0 292.339 1.293 20 5 CDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H](C)[C@@H](C)[NH3+])n2)n1C ZINC000823093238 734532057 /nfs/dbraw/zinc/53/20/57/734532057.db2.gz BPOVGHGBLDROGO-PHDIDXHHSA-N 1 0 280.288 1.137 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822235325 734634630 /nfs/dbraw/zinc/63/46/30/734634630.db2.gz CNPNFRXMEABLKE-NSHDSACASA-N 1 0 271.361 1.422 20 5 CDBDRO COCC[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000311286429 734635940 /nfs/dbraw/zinc/63/59/40/734635940.db2.gz ZTLJXILJSGCVKZ-LBPRGKRZSA-N 1 0 268.313 1.390 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000843056418 734709847 /nfs/dbraw/zinc/70/98/47/734709847.db2.gz JGQHJXNWGROUFH-TVQRCGJNSA-N 1 0 299.758 1.796 20 5 CDBDRO C[C@@H]([NH2+]CC[C@H]1CCNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000932178865 734721676 /nfs/dbraw/zinc/72/16/76/734721676.db2.gz UITXRFPMJVNOLY-PWSUYJOCSA-N 1 0 277.324 1.772 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000702660730 734792858 /nfs/dbraw/zinc/79/28/58/734792858.db2.gz QCDYZEVYSBSQAU-CBAPKCEASA-N 1 0 267.260 1.296 20 5 CDBDRO CCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774474 734797837 /nfs/dbraw/zinc/79/78/37/734797837.db2.gz DWTAOAYXUTUESG-UHFFFAOYSA-N 1 0 256.277 1.938 20 5 CDBDRO CC[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000776596479 734827076 /nfs/dbraw/zinc/82/70/76/734827076.db2.gz FCCCCJNHJNSEDF-HONMWMINSA-N 1 0 280.324 1.331 20 5 CDBDRO C[C@@H]([NH2+]CC(=O)N1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000932181453 734867376 /nfs/dbraw/zinc/86/73/76/734867376.db2.gz UCZFHFIXPARKDS-SNVBAGLBSA-N 1 0 263.297 1.478 20 5 CDBDRO CC1(C)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000782577347 734910415 /nfs/dbraw/zinc/91/04/15/734910415.db2.gz AVQITMPKROCQMQ-ZIAGYGMSSA-N 1 0 294.351 1.721 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518397 734984914 /nfs/dbraw/zinc/98/49/14/734984914.db2.gz LHUHLBXZFFSBOJ-CMPLNLGQSA-N 1 0 279.315 1.775 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])NCc1cccnc1[N+](=O)[O-] ZINC000886839598 735026715 /nfs/dbraw/zinc/02/67/15/735026715.db2.gz IDYRVYVZDVUPAP-JTQLQIEISA-N 1 0 252.318 1.453 20 5 CDBDRO CC(C)([NH3+])CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000843059864 735078057 /nfs/dbraw/zinc/07/80/57/735078057.db2.gz SCGCVPHCZKSQOU-UHFFFAOYSA-N 1 0 278.356 1.454 20 5 CDBDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000721983594 735080255 /nfs/dbraw/zinc/08/02/55/735080255.db2.gz OCOIVFZOAOEUES-NSHDSACASA-N 1 0 278.312 1.714 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000886821921 735095929 /nfs/dbraw/zinc/09/59/29/735095929.db2.gz JSYXBIXPLOMFJX-DGCLKSJQSA-N 1 0 280.328 1.292 20 5 CDBDRO Cc1cc(C(=O)NCC[N@@H+](C)C(C)C)c(N)c([N+](=O)[O-])c1 ZINC000104882612 735180476 /nfs/dbraw/zinc/18/04/76/735180476.db2.gz SSFUQAZQSJTJNG-UHFFFAOYSA-N 1 0 294.355 1.555 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1[NH2+]CC1(C)C)CC2 ZINC000818608533 735188063 /nfs/dbraw/zinc/18/80/63/735188063.db2.gz HDSQVPNEILWJAP-CYBMUJFWSA-N 1 0 289.335 1.790 20 5 CDBDRO CC(C)(CC(N)=O)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000230652838 735632306 /nfs/dbraw/zinc/63/23/06/735632306.db2.gz IENYVWDMDJIUIN-UHFFFAOYSA-N 1 0 285.731 1.992 20 5 CDBDRO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000858583832 735668390 /nfs/dbraw/zinc/66/83/90/735668390.db2.gz HMEUKKHDBWFBBJ-NXEZZACHSA-N 1 0 281.312 1.654 20 5 CDBDRO Cc1cccc(N2CC[NH+](CCCCO)CC2)c1[N+](=O)[O-] ZINC000782351262 735878187 /nfs/dbraw/zinc/87/81/87/735878187.db2.gz ZIQNNIAFFCPKHX-UHFFFAOYSA-N 1 0 293.367 1.798 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCOCCF)c1 ZINC000853134547 735890524 /nfs/dbraw/zinc/89/05/24/735890524.db2.gz WGVMQGAMFSJCAL-GFCCVEGCSA-N 1 0 272.276 1.204 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823997351 735989166 /nfs/dbraw/zinc/98/91/66/735989166.db2.gz BPNRTEWUWPHLFS-SNVBAGLBSA-N 1 0 293.327 1.393 20 5 CDBDRO CCOCCOCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000922944770 736035585 /nfs/dbraw/zinc/03/55/85/736035585.db2.gz UPVDPLLGQKSETE-UHFFFAOYSA-N 1 0 286.303 1.877 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NCCc1ccccc1[N+](=O)[O-] ZINC000925517101 736129366 /nfs/dbraw/zinc/12/93/66/736129366.db2.gz YVVBQPJNJXEWRL-DGCLKSJQSA-N 1 0 263.341 1.867 20 5 CDBDRO O=C(CC[N@@H+]1C[C@@H]2C[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000886340126 736316653 /nfs/dbraw/zinc/31/66/53/736316653.db2.gz BIINKAJLJKNZIO-PHIMTYICSA-N 1 0 275.308 1.875 20 5 CDBDRO [NH3+][C@@H]1C[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000818159830 736332173 /nfs/dbraw/zinc/33/21/73/736332173.db2.gz QEQHTIMRIFJTNX-WCBMZHEXSA-N 1 0 269.688 1.212 20 5 CDBDRO Cc1nn(C)c(N[C@@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000036749288 1165752700 /nfs/dbraw/zinc/75/27/00/1165752700.db2.gz AOPHYKFVPREDAJ-SNVBAGLBSA-N 1 0 265.317 1.143 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000053712704 1166879085 /nfs/dbraw/zinc/87/90/85/1166879085.db2.gz ZCKNSAZUXWGFSZ-UWVGGRQHSA-N 1 0 250.302 1.485 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2CC(O)C2)c1F ZINC001173175231 912280861 /nfs/dbraw/zinc/28/08/61/912280861.db2.gz MAFWDIZMNIEPGH-IDKOKCKLSA-N 1 0 298.314 1.786 20 5 CDBDRO CC[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC001173217072 912300950 /nfs/dbraw/zinc/30/09/50/912300950.db2.gz OZNWSZLOYSMVTO-SKDRFNHKSA-N 1 0 265.313 1.379 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@H](C)O ZINC001173219362 912303395 /nfs/dbraw/zinc/30/33/95/912303395.db2.gz BNOZWHCWDCZOPV-MNOVXSKESA-N 1 0 252.314 1.886 20 5 CDBDRO [NH3+][C@H]1CN(c2ccc3ccc4cccnc4c3n2)C[C@H]1O ZINC001167089632 894401290 /nfs/dbraw/zinc/40/12/90/894401290.db2.gz GMRIRNKUEMCUKG-QWHCGFSZSA-N 1 0 280.331 1.291 20 5 CDBDRO COC(=O)c1ccc(O[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC001218182733 898461354 /nfs/dbraw/zinc/46/13/54/898461354.db2.gz DVZILCLQGLXGAW-VIFPVBQESA-N 1 0 266.253 1.122 20 5 CDBDRO [NH3+]CCc1ccn(-c2ccc3c([N+](=O)[O-])c[nH]c3n2)n1 ZINC001167727056 899438821 /nfs/dbraw/zinc/43/88/21/899438821.db2.gz SRTWDPDLGUNJGT-UHFFFAOYSA-N 1 0 272.268 1.158 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000711620287 903995388 /nfs/dbraw/zinc/99/53/88/903995388.db2.gz DVULIGWHBGIYIG-CMPLNLGQSA-N 1 0 266.276 1.825 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1NC1(C)CC[NH2+]CC1 ZINC001168186769 907751533 /nfs/dbraw/zinc/75/15/33/907751533.db2.gz FZDZWQNZZHTDBX-UHFFFAOYSA-N 1 0 266.301 1.552 20 5 CDBDRO CCOC(=O)c1cc(-n2cc(C[NH3+])cn2)ccc1[N+](=O)[O-] ZINC001168259258 908003119 /nfs/dbraw/zinc/00/31/19/908003119.db2.gz NVRZIPSPJVOOBE-UHFFFAOYSA-N 1 0 290.279 1.416 20 5 CDBDRO C[C@@H](O)[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001307415684 909333181 /nfs/dbraw/zinc/33/31/81/909333181.db2.gz QXOAVDXYKUINJC-VXGBXAGGSA-N 1 0 279.340 1.486 20 5 CDBDRO C[N+](C)(C)CCCOC[C@H]1COc2ccccc2O1 ZINC001224618402 909973323 /nfs/dbraw/zinc/97/33/23/909973323.db2.gz GBMDKUYBXHXOJH-ZDUSSCGKSA-N 1 0 266.361 1.939 20 5 CDBDRO O=C1C[C@@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CO1 ZINC001172901409 912036385 /nfs/dbraw/zinc/03/63/85/912036385.db2.gz MXIONJVGDAEGOG-CHWSQXEVSA-N 1 0 290.319 1.747 20 5 CDBDRO COc1cc(N[C@@]2(C)CCC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC001162341506 922355747 /nfs/dbraw/zinc/35/57/47/922355747.db2.gz MFHAOBCCXAGZOE-ZDUSSCGKSA-N 1 0 280.328 1.895 20 5 CDBDRO C[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702052273 922465017 /nfs/dbraw/zinc/46/50/17/922465017.db2.gz XHIFTFHXZGORKT-UHFFFAOYSA-N 1 0 257.677 1.197 20 5 CDBDRO COc1nc(C)c(N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001162402522 922519014 /nfs/dbraw/zinc/51/90/14/922519014.db2.gz SVBVJDUEZFISGZ-UWVGGRQHSA-N 1 0 280.328 1.989 20 5 CDBDRO COC(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000689584391 936775272 /nfs/dbraw/zinc/77/52/72/936775272.db2.gz FVXJHNGFSDWZMU-UHFFFAOYSA-N 1 0 267.285 1.383 20 5 CDBDRO COc1cc([N+](=O)[O-])c(-n2nc(C[NH3+])cc2C)cc1F ZINC001163985555 924453584 /nfs/dbraw/zinc/45/35/84/924453584.db2.gz WGJVXVWYRROYRR-UHFFFAOYSA-N 1 0 280.259 1.695 20 5 CDBDRO CC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001195760733 924705079 /nfs/dbraw/zinc/70/50/79/924705079.db2.gz DDFRQIVPQCEIBM-JHZNUDOXSA-N 1 0 295.383 1.542 20 5 CDBDRO CCOc1cc([N+](=O)[O-])ccc1N1CC[C@@H]([NH3+])C1 ZINC001164281878 924752731 /nfs/dbraw/zinc/75/27/31/924752731.db2.gz PPKLCXFCGGWEKJ-SECBINFHSA-N 1 0 251.286 1.531 20 5 CDBDRO Cc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c([N+](=O)[O-])c1 ZINC001230144815 925459472 /nfs/dbraw/zinc/45/94/72/925459472.db2.gz ZVBRVHBMHLOZDJ-LLVKDONJSA-N 1 0 297.331 1.266 20 5 CDBDRO C[NH+](C)CC[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC001154643810 925831669 /nfs/dbraw/zinc/83/16/69/925831669.db2.gz MTJPMOACDWDOHY-JTQLQIEISA-N 1 0 281.312 1.602 20 5 CDBDRO [NH3+][C@@H]1CCc2nn(-c3ccc4c([N+](=O)[O-])c[nH]c4n3)cc2C1 ZINC001168808226 927462016 /nfs/dbraw/zinc/46/20/16/927462016.db2.gz LRGXPOBBNCPBKB-SECBINFHSA-N 1 0 298.306 1.473 20 5 CDBDRO COc1cnc(N(CC[NH3+])c2cccnc2)cc1[N+](=O)[O-] ZINC001168830714 927478101 /nfs/dbraw/zinc/47/81/01/927478101.db2.gz SDRSZQPFEIOLKZ-UHFFFAOYSA-N 1 0 289.295 1.490 20 5 CDBDRO Nc1ccnc(-n2cnc3ccc(C[NH3+])cc32)c1[N+](=O)[O-] ZINC001168842050 927485769 /nfs/dbraw/zinc/48/57/69/927485769.db2.gz MYELJAKIQMRFSM-UHFFFAOYSA-N 1 0 284.279 1.370 20 5 CDBDRO [NH3+]Cc1cccc(-c2nnn(-c3ccc([N+](=O)[O-])cn3)n2)c1 ZINC001168876388 927518769 /nfs/dbraw/zinc/51/87/69/927518769.db2.gz BRBKUWOSUGMRSM-UHFFFAOYSA-N 1 0 297.278 1.091 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2cc(CC[NH3+])cn2)c1 ZINC001168952609 927558817 /nfs/dbraw/zinc/55/88/17/927558817.db2.gz MNWPGHQMRPYKPL-UHFFFAOYSA-N 1 0 290.279 1.068 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCOC(F)(F)F)C1 ZINC001168976055 927561522 /nfs/dbraw/zinc/56/15/22/927561522.db2.gz YXBLLAALXVMALY-YUMQZZPRSA-N 1 0 256.224 1.558 20 5 CDBDRO O=C1CCCCCN1CCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168979891 927568192 /nfs/dbraw/zinc/56/81/92/927568192.db2.gz BWOSSSBWHSKBJV-UONOGXRCSA-N 1 0 297.399 1.814 20 5 CDBDRO O=C1CCC2(CCC([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)N1 ZINC001168979494 927568984 /nfs/dbraw/zinc/56/89/84/927568984.db2.gz YPMWNRKYFUUUJG-OYNVLQORSA-N 1 0 295.383 1.613 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCCn2ccnc2)C1 ZINC001168958828 927578887 /nfs/dbraw/zinc/57/88/87/927578887.db2.gz QDMNLWLKBBVJBC-RYUDHWBXSA-N 1 0 252.318 1.308 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)C1 ZINC001168961196 927582691 /nfs/dbraw/zinc/58/26/91/927582691.db2.gz HRFNPOHSVAOBQO-UEEZHKSASA-N 1 0 276.336 1.680 20 5 CDBDRO CC(C)c1nc(CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)no1 ZINC001168963874 927587664 /nfs/dbraw/zinc/58/76/64/927587664.db2.gz QLABDJKYMJBMSM-WDEREUQCSA-N 1 0 282.344 1.771 20 5 CDBDRO COC(=O)[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169001298 927605286 /nfs/dbraw/zinc/60/52/86/927605286.db2.gz FKPXJCDERAWBSN-BJDJZHNGSA-N 1 0 270.329 1.363 20 5 CDBDRO NC(=O)[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001169006355 927610768 /nfs/dbraw/zinc/61/07/68/927610768.db2.gz XRQLTUABVVNCGH-RAIGVLPGSA-N 1 0 277.324 1.248 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CC3(C2)CCCOC3)C1 ZINC001169012985 927619353 /nfs/dbraw/zinc/61/93/53/927619353.db2.gz SROAQKDNHYCBHP-NEPJUHHUSA-N 1 0 254.330 1.544 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1cc(F)cc([N+](=O)[O-])c1C ZINC001168986494 927623038 /nfs/dbraw/zinc/62/30/38/927623038.db2.gz WSJAXRCEOASMHM-UHFFFAOYSA-N 1 0 279.275 1.433 20 5 CDBDRO CCOC(=O)C(C)(C)C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168988231 927624230 /nfs/dbraw/zinc/62/42/30/927624230.db2.gz PJNADCOUVKDSGY-WDEREUQCSA-N 1 0 272.345 1.611 20 5 CDBDRO CCCc1cc(C[NH3+])nn1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987902 927624568 /nfs/dbraw/zinc/62/45/68/927624568.db2.gz LEZMFTMBTNJZTG-GWCFXTLKSA-N 1 0 266.345 1.912 20 5 CDBDRO C[N@H+](C[C@@H]1CCCCO1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035361 927644399 /nfs/dbraw/zinc/64/43/99/927644399.db2.gz KPSUNJGDKBAGPC-AGIUHOORSA-N 1 0 256.346 1.933 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)C1 ZINC001169035907 927644992 /nfs/dbraw/zinc/64/49/92/927644992.db2.gz DVAARPRTYWMEME-YFKTTZPYSA-N 1 0 290.310 1.645 20 5 CDBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038262 927650550 /nfs/dbraw/zinc/65/05/50/927650550.db2.gz XNIKQPYHIRBSHC-TUAOUCFPSA-N 1 0 291.355 1.405 20 5 CDBDRO CCOC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039888 927653580 /nfs/dbraw/zinc/65/35/80/927653580.db2.gz VJQGJFYWLCCTAO-UTUOFQBUSA-N 1 0 270.329 1.459 20 5 CDBDRO CC[N@H+](CCN1CCOCC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039885 927654906 /nfs/dbraw/zinc/65/49/06/927654906.db2.gz VIIGUQZHZDPZDO-ZIAGYGMSSA-N 1 0 285.388 1.086 20 5 CDBDRO Cc1nc2c(n1[C@@H]1CC[C@H](C[N+](=O)[O-])C1)C[NH2+]CC2 ZINC001169039909 927655128 /nfs/dbraw/zinc/65/51/28/927655128.db2.gz VQFRNHNJNLSGFQ-WDEREUQCSA-N 1 0 264.329 1.455 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCC3(C2)CCOCC3)C1 ZINC001169026566 927666735 /nfs/dbraw/zinc/66/67/35/927666735.db2.gz MTCYMIFCRKFXBJ-STQMWFEESA-N 1 0 268.357 1.934 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(-n2ccc([C@@H](C)[NH3+])n2)n1 ZINC001169227183 927827450 /nfs/dbraw/zinc/82/74/50/927827450.db2.gz AHNQJHKCKFKOQA-SSDOTTSWSA-N 1 0 263.257 1.204 20 5 CDBDRO COc1nc(C)c(-n2ccc([C@@H](C)[NH3+])n2)cc1[N+](=O)[O-] ZINC001169234623 927849734 /nfs/dbraw/zinc/84/97/34/927849734.db2.gz ZOEZVKWKLWOTTQ-SSDOTTSWSA-N 1 0 277.284 1.512 20 5 CDBDRO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000852702883 927851056 /nfs/dbraw/zinc/85/10/56/927851056.db2.gz KHXFAXXLPSCICN-KCPJHIHWSA-N 1 0 294.351 1.579 20 5 CDBDRO N=C(Nc1ncc(Cl)cc1[N+](=O)[O-])SCC[NH3+] ZINC001157128774 929208687 /nfs/dbraw/zinc/20/86/87/929208687.db2.gz SERUCIKUUSLAMM-UHFFFAOYSA-N 1 0 275.721 1.682 20 5 CDBDRO COC(=O)C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000886127922 930810139 /nfs/dbraw/zinc/81/01/39/930810139.db2.gz XKUFXELQVBIGKK-NSHDSACASA-N 1 0 279.296 1.421 20 5 CDBDRO CN1CCc2c(NCC(C)(C)[NH3+])ccc([N+](=O)[O-])c2C1 ZINC001171193894 931852192 /nfs/dbraw/zinc/85/21/92/931852192.db2.gz GIHVGGQGPFIMJN-UHFFFAOYSA-N 1 0 278.356 1.732 20 5 CDBDRO CC(C)Oc1nc(N[C@@H]2CC[NH2+][C@@H]2C)ccc1[N+](=O)[O-] ZINC001155188592 937647010 /nfs/dbraw/zinc/64/70/10/937647010.db2.gz PLFPMIBSZCQXJW-NXEZZACHSA-N 1 0 280.328 1.939 20 5 CDBDRO C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC001120488457 937802881 /nfs/dbraw/zinc/80/28/81/937802881.db2.gz BLHNWOZNLFEMOY-SMDDNHRTSA-N 1 0 281.356 1.416 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCCF)c1 ZINC001120495272 937803639 /nfs/dbraw/zinc/80/36/39/937803639.db2.gz JFJOGJGVOHWQJL-LLVKDONJSA-N 1 0 272.276 1.284 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC001122321311 937921358 /nfs/dbraw/zinc/92/13/58/937921358.db2.gz RTAOWBLJWMLWOY-NHYWBVRUSA-N 1 0 289.335 1.857 20 5 CDBDRO CCOc1nc(-n2ccc(C[NH3+])cc2=N)ccc1[N+](=O)[O-] ZINC001156850758 938425913 /nfs/dbraw/zinc/42/59/13/938425913.db2.gz QOMFIFZWFWUFBP-UHFFFAOYSA-N 1 0 289.295 1.117 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)n1 ZINC001157264548 938471904 /nfs/dbraw/zinc/47/19/04/938471904.db2.gz FGDGLYUIUAPPHR-PWSUYJOCSA-N 1 0 277.328 1.224 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ccnc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001157445350 938492625 /nfs/dbraw/zinc/49/26/25/938492625.db2.gz FTLLBLKZFFNCFP-SFYZADRCSA-N 1 0 274.683 1.755 20 5 CDBDRO [NH3+]CCc1cnn(-c2ccc3c(cccc3[N+](=O)[O-])n2)c1 ZINC001158098388 938582664 /nfs/dbraw/zinc/58/26/64/938582664.db2.gz HPSPTRZYYIXWLQ-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO COc1nc(NCC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC001158629516 938644187 /nfs/dbraw/zinc/64/41/87/938644187.db2.gz ZTEXRMBQJOQSBH-SECBINFHSA-N 1 0 266.301 1.552 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC[C@@H]1CCCC[NH2+]1 ZINC001160148693 938771586 /nfs/dbraw/zinc/77/15/86/938771586.db2.gz VHWVTYDGVUUUFP-JTQLQIEISA-N 1 0 266.301 1.091 20 5 CDBDRO Nc1cc(NC[C@H]2CCCC[NH2+]2)ncc1[N+](=O)[O-] ZINC001160148490 938771758 /nfs/dbraw/zinc/77/17/58/938771758.db2.gz SVIKGTCPTUOWIK-MRVPVSSYSA-N 1 0 251.290 1.126 20 5 CDBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1cc([N+](=O)[O-])ccn1 ZINC001160196920 938775041 /nfs/dbraw/zinc/77/50/41/938775041.db2.gz ZIVUYVCSHYPHSF-LLVKDONJSA-N 1 0 286.291 1.848 20 5 CDBDRO Cn1cc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCCC3)C2)n1 ZINC001162409445 939048657 /nfs/dbraw/zinc/04/86/57/939048657.db2.gz UKTFSUMCIVKACN-SNVBAGLBSA-N 1 0 265.317 1.003 20 5 CDBDRO Cc1c[n+]([O-])c(NC[C@@H]2CCC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC001162456695 939059500 /nfs/dbraw/zinc/05/95/00/939059500.db2.gz YOCFFXGGCOWZKW-PWSUYJOCSA-N 1 0 294.355 1.584 20 5 CDBDRO O=[N+]([O-])c1ccnc(Cl)c1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162475894 939064097 /nfs/dbraw/zinc/06/40/97/939064097.db2.gz IRYBQHRZSNPVQX-BQBZGAKWSA-N 1 0 274.683 1.755 20 5 CDBDRO Cc1c(N[C@]23CC[NH2+][C@H]2CC(=O)N3)cc(F)cc1[N+](=O)[O-] ZINC001163250979 939232627 /nfs/dbraw/zinc/23/26/27/939232627.db2.gz PVJAIONESHXWHE-AAEUAGOBSA-N 1 0 294.286 1.032 20 5 CDBDRO CN(CC[NH+](C)C)c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001163589750 939290356 /nfs/dbraw/zinc/29/03/56/939290356.db2.gz GNNZXFAPXYBBSJ-UHFFFAOYSA-N 1 0 263.301 1.469 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cc(N[C@@H](C)C[NH+](C)C)n1 ZINC001163772471 939327266 /nfs/dbraw/zinc/32/72/66/939327266.db2.gz MVEOVQFOTGQQCS-QMMMGPOBSA-N 1 0 282.300 1.138 20 5 CDBDRO CC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2N)CC1 ZINC001163776411 939329112 /nfs/dbraw/zinc/32/91/12/939329112.db2.gz YFFIDUNWHXHJRL-UHFFFAOYSA-N 1 0 265.317 1.104 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])c2c1CCN(C)C2 ZINC001163782996 939330424 /nfs/dbraw/zinc/33/04/24/939330424.db2.gz WFXHFQBIBDVLNC-NSHDSACASA-N 1 0 292.383 1.945 20 5 CDBDRO COc1cc(C)nc(N2C[C@H](C)CC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC001164069091 939404651 /nfs/dbraw/zinc/40/46/51/939404651.db2.gz IFXVCJNXEDIPJZ-KOLCDFICSA-N 1 0 294.355 1.870 20 5 CDBDRO C[C@H]1CC[C@H](C[NH3+])N(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001164072210 939405945 /nfs/dbraw/zinc/40/59/45/939405945.db2.gz YAJLQKDLOAQXMJ-DTWKUNHWSA-N 1 0 295.299 1.462 20 5 CDBDRO CC(C)N(CCC[NH3+])c1ncnc(Cl)c1[N+](=O)[O-] ZINC001164116494 939412349 /nfs/dbraw/zinc/41/23/49/939412349.db2.gz OYIQSCXOKYPXSM-UHFFFAOYSA-N 1 0 273.724 1.602 20 5 CDBDRO COc1nc(N2CCC[C@](C)(C[NH3+])CC2)ncc1[N+](=O)[O-] ZINC001164242264 939439423 /nfs/dbraw/zinc/43/94/23/939439423.db2.gz JQFQDFHWKOCRQT-ZDUSSCGKSA-N 1 0 295.343 1.349 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@H](C[NH3+])CC[C@@H]1C ZINC001164467313 939476224 /nfs/dbraw/zinc/47/62/24/939476224.db2.gz GJUMNCOEIVQVDY-ONGXEEELSA-N 1 0 280.328 1.100 20 5 CDBDRO C[NH+](C)C[C@@H]1CCCN1c1cc([N+](=O)[O-])ccn1 ZINC001165071576 939506728 /nfs/dbraw/zinc/50/67/28/939506728.db2.gz IRJVZVYTYHLWCY-NSHDSACASA-N 1 0 250.302 1.520 20 5 CDBDRO Cc1nc(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001165181200 939520805 /nfs/dbraw/zinc/52/08/05/939520805.db2.gz LNMFJKGDWGKVBG-FZMZJTMJSA-N 1 0 276.340 1.686 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CCC[C@H]4[NH2+]C[C@H]43)nc21 ZINC001165391107 939557031 /nfs/dbraw/zinc/55/70/31/939557031.db2.gz GLFSBFJOTYOVLR-PSASIEDQSA-N 1 0 273.296 1.412 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCCOc1cccc2c1OCCO2 ZINC001206655224 940076005 /nfs/dbraw/zinc/07/60/05/940076005.db2.gz ROJKPRMMZJCIFK-CYBMUJFWSA-N 1 0 296.387 1.948 20 5 CDBDRO C[C@@H]1C[C@H](Oc2ccc(N)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC001218051146 941037641 /nfs/dbraw/zinc/03/76/41/941037641.db2.gz GBAMMVVESSQHEE-PSASIEDQSA-N 1 0 251.286 1.696 20 5 CDBDRO CCc1nc2c(c(O[C@@H](C)C[N+](C)(C)C)n1)CNC2 ZINC001218355318 941209000 /nfs/dbraw/zinc/20/90/00/941209000.db2.gz HMJVMRYVNZDXRM-JTQLQIEISA-N 1 0 265.381 1.116 20 5 CDBDRO Nc1ccc(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC001218463428 941220613 /nfs/dbraw/zinc/22/06/13/941220613.db2.gz HPKVALJFOFCOSV-IYYTYJHQSA-N 1 0 263.297 1.554 20 5 CDBDRO Cc1cc(NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC001524232779 970826668 /nfs/dbraw/zinc/82/66/68/970826668.db2.gz WSZVGYVLECPNLB-CABZTGNLSA-N 1 0 281.287 1.789 20 5 CDBDRO COC(=O)c1cccc(CO[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC001223662236 941690798 /nfs/dbraw/zinc/69/07/98/941690798.db2.gz DSIRFOGFAMWLSX-SNVBAGLBSA-N 1 0 296.323 1.848 20 5 CDBDRO O=[N+]([O-])c1ccc(CO[C@H]2C[NH+]3CCC2CC3)cn1 ZINC001224109349 941721192 /nfs/dbraw/zinc/72/11/92/941721192.db2.gz RNBSBSNPYUUKMY-LBPRGKRZSA-N 1 0 263.297 1.601 20 5 CDBDRO CC[N@@H+]1CCC[C@H](OCc2ccc([N+](=O)[O-])nc2)C1 ZINC001224115925 941722331 /nfs/dbraw/zinc/72/23/31/941722331.db2.gz WSNSESVXKVGWLY-LBPRGKRZSA-N 1 0 265.313 1.991 20 5 CDBDRO COc1cccc(NC(=O)CO[C@@H](C)C[N+](C)(C)C)c1 ZINC001224447057 941755545 /nfs/dbraw/zinc/75/55/45/941755545.db2.gz JDRXRNRMPDHBHZ-LBPRGKRZSA-O 1 0 281.376 1.745 20 5 CDBDRO C[N+](C)(C)CCOC[C@H]1CC[C@]2(CCCCO2)O1 ZINC001224776518 941789897 /nfs/dbraw/zinc/78/98/97/941789897.db2.gz WZHYUIMREGOUMU-KGLIPLIRSA-N 1 0 258.382 1.785 20 5 CDBDRO C[N+](C)(C)CCOC[C@H]1CN(c2cccc(F)c2)C(=O)O1 ZINC001224771011 941790365 /nfs/dbraw/zinc/79/03/65/941790365.db2.gz FAZFSOSXALSEQJ-CQSZACIVSA-N 1 0 297.350 1.874 20 5 CDBDRO COC(=O)c1c[nH]c(=O)cc1O[C@@H](C)C[N+](C)(C)C ZINC001226210164 941967155 /nfs/dbraw/zinc/96/71/55/941967155.db2.gz AEXQUDFPBBGLJA-VIFPVBQESA-O 1 0 269.321 1.047 20 5 CDBDRO CCOC(=O)c1cncnc1O[C@H](C)C[N+](C)(C)C ZINC001226552193 942024177 /nfs/dbraw/zinc/02/41/77/942024177.db2.gz UUAZKMIBJZDZMC-SNVBAGLBSA-N 1 0 268.337 1.127 20 5 CDBDRO CCOC(=O)c1ccncc1O[C@@H](C)C[N+](C)(C)C ZINC001226692842 942049852 /nfs/dbraw/zinc/04/98/52/942049852.db2.gz SKZNZYYOYALUPY-NSHDSACASA-N 1 0 267.349 1.732 20 5 CDBDRO Cc1[nH]nc2c1cccc2OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227080623 942128850 /nfs/dbraw/zinc/12/88/50/942128850.db2.gz CEEWMVQARJCYMD-LLVKDONJSA-N 1 0 292.359 1.234 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ncc([N+](=O)[O-])c2nc[nH]c21 ZINC001227690466 942205032 /nfs/dbraw/zinc/20/50/32/942205032.db2.gz HHQPPCNAVPKFMB-QMMMGPOBSA-N 1 0 280.308 1.340 20 5 CDBDRO Cc1[nH]c(=O)cc(O[C@@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001228685408 942357140 /nfs/dbraw/zinc/35/71/40/942357140.db2.gz HIXKGJCTWSSTOH-LLVKDONJSA-N 1 0 279.296 1.477 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cn2nc(Cl)ccc2n1 ZINC001228840878 942383553 /nfs/dbraw/zinc/38/35/53/942383553.db2.gz WDRHDRIQMDJNRU-SECBINFHSA-N 1 0 269.756 1.856 20 5 CDBDRO CSc1nc(C)cc(O[C@H](C)C[N+](C)(C)C)n1 ZINC001228911511 942391631 /nfs/dbraw/zinc/39/16/31/942391631.db2.gz IAIOHMZWLKVUDG-SNVBAGLBSA-N 1 0 256.395 1.980 20 5 CDBDRO C[C@@H](C[NH+](C)C)Oc1ccc([N+](=O)[O-])c(Cl)n1 ZINC001228935117 942396613 /nfs/dbraw/zinc/39/66/13/942396613.db2.gz ZALJPERSRYXTCQ-ZETCQYMHSA-N 1 0 259.693 1.972 20 5 CDBDRO Nc1[nH]c2ccc(O[C@@H](C[N+](=O)[O-])C3CC3)cc2[nH+]1 ZINC001230514997 942629697 /nfs/dbraw/zinc/62/96/97/942629697.db2.gz FVZODFJKWDRTOJ-NSHDSACASA-N 1 0 262.269 1.579 20 5 CDBDRO COCC(=O)NCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001230944123 942737924 /nfs/dbraw/zinc/73/79/24/942737924.db2.gz KOZQVRHOXLTDFU-UHFFFAOYSA-N 1 0 295.339 1.179 20 5 CDBDRO COc1cccc2c1nc(=O)[nH]c2O[C@@H](C)C[N+](C)(C)C ZINC001231347503 942862683 /nfs/dbraw/zinc/86/26/83/942862683.db2.gz MWSYEYRIGAWAHD-JTQLQIEISA-O 1 0 292.359 1.818 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1[nH]nc2c1cccc2F ZINC001233612697 943625821 /nfs/dbraw/zinc/62/58/21/943625821.db2.gz UPOBSLJAVIVTMM-SECBINFHSA-N 1 0 296.322 1.065 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001233860508 943676156 /nfs/dbraw/zinc/67/61/56/943676156.db2.gz ANEFOPSHYLKFBH-JTQLQIEISA-N 1 0 295.295 1.249 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001263103793 943746211 /nfs/dbraw/zinc/74/62/11/943746211.db2.gz MEDOJIFZKVCLAQ-ICCXJUOJSA-N 1 0 277.324 1.409 20 5 CDBDRO N[C@@H]1C[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254467934 947452070 /nfs/dbraw/zinc/45/20/70/947452070.db2.gz GGSWDIGTIFAAPO-ZIAGYGMSSA-N 1 0 276.340 1.253 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C)C(=O)C1 ZINC001254534901 947515991 /nfs/dbraw/zinc/51/59/91/947515991.db2.gz DFTMIZNYKOIKBB-WCQYABFASA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C=CS(=O)(=O)C1 ZINC001254535144 947516228 /nfs/dbraw/zinc/51/62/28/947516228.db2.gz HNPLKYHLGBATJA-ZYHUDNBSSA-N 1 0 296.348 1.426 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC(CO)C1 ZINC001254537030 947516494 /nfs/dbraw/zinc/51/64/94/947516494.db2.gz VZNBYSAILXCALQ-XSRFYTQQSA-N 1 0 264.325 1.886 20 5 CDBDRO CNC(=O)CC[N@H+](C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254563269 947526249 /nfs/dbraw/zinc/52/62/49/947526249.db2.gz VTUPPYISDCZZGD-NSHDSACASA-N 1 0 279.340 1.594 20 5 CDBDRO COC(=O)[C@H]1C[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254574152 947532666 /nfs/dbraw/zinc/53/26/66/947532666.db2.gz GMGYADVNYFIDGU-JHJVBQTASA-N 1 0 290.319 1.603 20 5 CDBDRO NC(=O)[C@H]1CCCC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599937 947549993 /nfs/dbraw/zinc/54/99/93/947549993.db2.gz MZODYEBBAHMOLM-ZIAGYGMSSA-N 1 0 289.335 1.402 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC([NH+]3CCCC3)C1)C2 ZINC001254601006 947550958 /nfs/dbraw/zinc/55/09/58/947550958.db2.gz UVNHARRHEARYHY-OAHLLOKOSA-N 1 0 287.363 1.842 20 5 CDBDRO CN1CC2(C1)CC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254607670 947552517 /nfs/dbraw/zinc/55/25/17/947552517.db2.gz LXJWKAAGFGHBNW-OAHLLOKOSA-N 1 0 287.363 1.700 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1C[C@@H]3CCO[C@@H]3C1)C2 ZINC001254603327 947553172 /nfs/dbraw/zinc/55/31/72/947553172.db2.gz MNMRBLACUMEVHM-NILFDRSVSA-N 1 0 274.320 1.783 20 5 CDBDRO C[N@@H+]1C[C@@H]2C[C@H]1CN2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602782 947554509 /nfs/dbraw/zinc/55/45/09/947554509.db2.gz ITJIBCHPCNAARM-ILXRZTDVSA-N 1 0 273.336 1.450 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1Nc1cc[nH+]c(CO)c1 ZINC001249546541 949665698 /nfs/dbraw/zinc/66/56/98/949665698.db2.gz PLCHNEUQNSEIEJ-UHFFFAOYSA-N 1 0 260.253 1.929 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(NC3C[NH2+]C3)c2c1 ZINC001329673874 956056021 /nfs/dbraw/zinc/05/60/21/956056021.db2.gz MAWJOQIHVJVKKU-UHFFFAOYSA-N 1 0 279.687 1.575 20 5 CDBDRO COc1ccsc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC001308317079 956515357 /nfs/dbraw/zinc/51/53/57/956515357.db2.gz ZEXGJODEZDOINZ-UHFFFAOYSA-N 1 0 282.325 1.651 20 5 CDBDRO Cc1c(C[NH2+]CC(=O)N2CCCO2)cccc1[N+](=O)[O-] ZINC001308545502 956544699 /nfs/dbraw/zinc/54/46/99/956544699.db2.gz CNTZFCRZSYHJAX-UHFFFAOYSA-N 1 0 279.296 1.157 20 5 CDBDRO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2CC[N+](=O)[O-] ZINC001334035858 958786439 /nfs/dbraw/zinc/78/64/39/958786439.db2.gz WKIUEPBOYISCQV-NEPJUHHUSA-N 1 0 299.371 1.737 20 5 CDBDRO CCN1CCC[C@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335338483 959724747 /nfs/dbraw/zinc/72/47/47/959724747.db2.gz SSVGQGKHSQEOHD-GJZGRUSLSA-N 1 0 293.367 1.702 20 5 CDBDRO C[C@@](O)(C[NH2+]CC[N+](=O)[O-])c1cccc(Cl)c1 ZINC001335998806 960144731 /nfs/dbraw/zinc/14/47/31/960144731.db2.gz BBSOZKMDSUNGND-LLVKDONJSA-N 1 0 258.705 1.414 20 5 CDBDRO CCCN(CC[NH2+]CC[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001336136602 960219729 /nfs/dbraw/zinc/21/97/29/960219729.db2.gz RRHASUFPQMSSHJ-UHFFFAOYSA-N 1 0 275.349 1.500 20 5 CDBDRO Nc1cc(NCCC[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC001336444782 960351448 /nfs/dbraw/zinc/35/14/48/960351448.db2.gz JKEFHMPHACJZNQ-UHFFFAOYSA-N 1 0 279.344 1.860 20 5 CDBDRO C[C@H](Nc1ccnc(F)c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001339815412 962555947 /nfs/dbraw/zinc/55/59/47/962555947.db2.gz MNANUWHJJVYHFQ-GXSJLCMTSA-N 1 0 297.334 1.175 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCCCC[NH2+]1 ZINC001341558108 963464016 /nfs/dbraw/zinc/46/40/16/963464016.db2.gz FCUUVYLGJKLLDC-CYBMUJFWSA-N 1 0 291.351 1.786 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001342362941 963721561 /nfs/dbraw/zinc/72/15/61/963721561.db2.gz LLCSQKIZOZFLFI-QEGRKFQGSA-N 1 0 289.335 1.646 20 5 CDBDRO C[C@H](NC(=O)CC(C)(C)[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001342520049 963757490 /nfs/dbraw/zinc/75/74/90/963757490.db2.gz XKIAIQXXRHHHDB-VIFPVBQESA-N 1 0 265.313 1.899 20 5 CDBDRO COc1c(O)ccc(C[NH2+]C[C@]2(C)CCOC2)c1[N+](=O)[O-] ZINC001342959226 963871678 /nfs/dbraw/zinc/87/16/78/963871678.db2.gz FHTBBCDDOLEAMA-AWEZNQCLSA-N 1 0 296.323 1.825 20 5 CDBDRO Cc1cc(NC(=O)[C@@H](C)[NH2+]C2CC2)cc([N+](=O)[O-])c1 ZINC001343777899 964137142 /nfs/dbraw/zinc/13/71/42/964137142.db2.gz UUMXFTAVFMLKSB-SECBINFHSA-N 1 0 263.297 1.982 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001346123871 964944994 /nfs/dbraw/zinc/94/49/94/964944994.db2.gz WMNXRKMJUIMARW-MNOVXSKESA-N 1 0 294.355 1.953 20 5 CDBDRO [NH3+][C@H]1CCCC[C@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001348942446 966233927 /nfs/dbraw/zinc/23/39/27/966233927.db2.gz USYPEWZTPWRYNN-KGLIPLIRSA-N 1 0 289.335 1.955 20 5 CDBDRO CSc1ccc(C(=O)NCC2([NH3+])CC2)cc1[N+](=O)[O-] ZINC001355305708 969117738 /nfs/dbraw/zinc/11/77/38/969117738.db2.gz MLWLPBCCWHVMEP-UHFFFAOYSA-N 1 0 281.337 1.538 20 5 CDBDRO C[C@@H](CNC(=O)[C@@H]1CCCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001358388740 969729768 /nfs/dbraw/zinc/72/97/68/969729768.db2.gz NYUSEXZCKJFYBF-AAEUAGOBSA-N 1 0 291.351 1.957 20 5 CDBDRO C[C@H]([NH3+])CONC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001576159519 1171343941 /nfs/dbraw/zinc/34/39/41/1171343941.db2.gz QUQYHCCSYZDTEP-XXILOJSOSA-N 1 0 279.296 1.093 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000601330785 342554792 /nfs/dbraw/zinc/55/47/92/342554792.db2.gz XITZBPLLGLXYST-WCBMZHEXSA-N 1 0 253.277 1.655 20 5 CDBDRO CC(C)(O)CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564872943 365540558 /nfs/dbraw/zinc/54/05/58/365540558.db2.gz JRERTEULCVFHBD-LBPRGKRZSA-N 1 0 298.339 1.085 20 5 CDBDRO O=c1c(F)cc([N+](=O)[O-])cn1CCC[NH+]1CCCC1 ZINC000564961323 365556461 /nfs/dbraw/zinc/55/64/61/365556461.db2.gz YLWDCQANCCMIDL-UHFFFAOYSA-N 1 0 269.276 1.382 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000070174957 361746170 /nfs/dbraw/zinc/74/61/70/361746170.db2.gz CQJOLPZYYKZKSI-VHSXEESVSA-N 1 0 250.302 1.553 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000237392567 342059515 /nfs/dbraw/zinc/05/95/15/342059515.db2.gz DHFJBGILWHQHPI-GHMZBOCLSA-N 1 0 292.339 1.345 20 5 CDBDRO C[NH+](C)CC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000048563774 342093199 /nfs/dbraw/zinc/09/31/99/342093199.db2.gz GLNZAWNOAIHOIL-UHFFFAOYSA-N 1 0 264.329 1.768 20 5 CDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000609269508 342099104 /nfs/dbraw/zinc/09/91/04/342099104.db2.gz RYAVDSDOCWBAEQ-SNVBAGLBSA-N 1 0 297.311 1.028 20 5 CDBDRO O=C1NCCC[C@@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000590971939 342612350 /nfs/dbraw/zinc/61/23/50/342612350.db2.gz YAEQOECDJPZVBQ-LLVKDONJSA-N 1 0 263.297 1.211 20 5 CDBDRO Cc1c(CNC(=O)NCC[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000591357061 342627720 /nfs/dbraw/zinc/62/77/20/342627720.db2.gz PCFFVTHNQJFMCX-UHFFFAOYSA-N 1 0 292.339 1.454 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591439673 342632138 /nfs/dbraw/zinc/63/21/38/342632138.db2.gz XRWUZCIHYWKLOR-MNOVXSKESA-N 1 0 279.344 1.308 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CC(C)(C)[NH3+] ZINC000592047293 342661298 /nfs/dbraw/zinc/66/12/98/342661298.db2.gz SFGFDTMOPQRVGH-UHFFFAOYSA-N 1 0 281.312 1.347 20 5 CDBDRO CC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)O ZINC000592430983 342695245 /nfs/dbraw/zinc/69/52/45/342695245.db2.gz VXYHVUVVKNXLDB-OSMZGAPFSA-N 1 0 298.339 1.084 20 5 CDBDRO O=[N+]([O-])c1ccccc1N1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000592475949 342698811 /nfs/dbraw/zinc/69/88/11/342698811.db2.gz XIQVLHYXDSQQQZ-CYBMUJFWSA-N 1 0 290.367 1.326 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000592475617 342698970 /nfs/dbraw/zinc/69/89/70/342698970.db2.gz QRVUEKMVNSSNOU-RNCFNFMXSA-N 1 0 283.303 1.282 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000592543512 342708628 /nfs/dbraw/zinc/70/86/28/342708628.db2.gz FCYNEESVVMRSGD-VIFPVBQESA-N 1 0 278.312 1.049 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+](C)C ZINC000592828528 342741165 /nfs/dbraw/zinc/74/11/65/342741165.db2.gz LZSVYDRADYLWFR-QMMMGPOBSA-N 1 0 266.301 1.525 20 5 CDBDRO C[C@H](CCO)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000593109023 342769317 /nfs/dbraw/zinc/76/93/17/342769317.db2.gz GJJQQTQFYOQIEE-LLVKDONJSA-N 1 0 252.314 1.840 20 5 CDBDRO CCN(CC[NH3+])c1nccc2c1cccc2[N+](=O)[O-] ZINC000600950394 342258078 /nfs/dbraw/zinc/25/80/78/342258078.db2.gz GNFPWCSEMGVMNA-UHFFFAOYSA-N 1 0 260.297 1.928 20 5 CDBDRO CC(C)[C@@H]([NH3+])c1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594649355 342931793 /nfs/dbraw/zinc/93/17/93/342931793.db2.gz LNIDUIDSGSNXQG-LLVKDONJSA-N 1 0 262.273 1.226 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000594714954 342946676 /nfs/dbraw/zinc/94/66/76/342946676.db2.gz VAASIEGSDHPPNG-DRZSPHRISA-N 1 0 280.328 1.027 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)C[C@H]21 ZINC000125808796 187200905 /nfs/dbraw/zinc/20/09/05/187200905.db2.gz XDUBVJPDGUSURS-OPRDCNLKSA-N 1 0 295.364 1.856 20 5 CDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2C[C@H](O)C2)c1 ZINC000595001348 342995411 /nfs/dbraw/zinc/99/54/11/342995411.db2.gz UXFNFZRLCOFNGG-CZMCAQCFSA-N 1 0 288.250 1.809 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(CO)COC1 ZINC000595020960 342995982 /nfs/dbraw/zinc/99/59/82/342995982.db2.gz BOAMYFQRELIIMH-SNVBAGLBSA-N 1 0 296.323 1.263 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000595029911 342997129 /nfs/dbraw/zinc/99/71/29/342997129.db2.gz AUAJDKLLYNHFGL-NXEZZACHSA-N 1 0 293.323 1.485 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@H]2C[C@H](O)C2)n1 ZINC000595100862 343003944 /nfs/dbraw/zinc/00/39/44/343003944.db2.gz BOIDMBNMNTWNTJ-BJDJZHNGSA-N 1 0 280.328 1.388 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1CC[NH3+] ZINC000404343925 349771729 /nfs/dbraw/zinc/77/17/29/349771729.db2.gz GCBVFHDBIIAFBM-JOYOIKCWSA-N 1 0 280.328 1.512 20 5 CDBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000595678077 343129959 /nfs/dbraw/zinc/12/99/59/343129959.db2.gz QFKULKBFIDOATH-VXGBXAGGSA-N 1 0 282.344 1.274 20 5 CDBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000079034446 342342027 /nfs/dbraw/zinc/34/20/27/342342027.db2.gz KKFIUGMEEIPZDX-SECBINFHSA-N 1 0 283.353 1.726 20 5 CDBDRO COC1CC[NH+](CCNc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000080249732 342351244 /nfs/dbraw/zinc/35/12/44/342351244.db2.gz KVUHBGRITVQEKM-UHFFFAOYSA-N 1 0 294.355 1.821 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000600966530 342354763 /nfs/dbraw/zinc/35/47/63/342354763.db2.gz PTGLYEFNEVXSFI-CBAPKCEASA-N 1 0 280.259 1.312 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)CC(C)(C)[NH3+] ZINC000595961262 343197024 /nfs/dbraw/zinc/19/70/24/343197024.db2.gz KDRNMFIEKCSWIQ-UHFFFAOYSA-N 1 0 295.339 1.803 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000595983446 343211063 /nfs/dbraw/zinc/21/10/63/343211063.db2.gz OCLJROXPFIBZQO-JTQLQIEISA-N 1 0 280.328 1.121 20 5 CDBDRO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596049048 343218452 /nfs/dbraw/zinc/21/84/52/343218452.db2.gz HJGYKQCZIBUMSS-UHFFFAOYSA-N 1 0 280.328 1.447 20 5 CDBDRO O=c1[nH]ccc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000596076861 343226753 /nfs/dbraw/zinc/22/67/53/343226753.db2.gz QTEVZTYUYQSUBV-ONGXEEELSA-N 1 0 278.312 1.734 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596106604 343229057 /nfs/dbraw/zinc/22/90/57/343229057.db2.gz UMGZYCPSOAEWOT-LLVKDONJSA-N 1 0 292.339 1.224 20 5 CDBDRO C[NH+](C)C[C@@H](CO)Nc1c(F)cccc1[N+](=O)[O-] ZINC000596243394 343285372 /nfs/dbraw/zinc/28/53/72/343285372.db2.gz LEQBUPIAFFOKRM-QMMMGPOBSA-N 1 0 257.265 1.068 20 5 CDBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@H](C)C1 ZINC000596230451 343273314 /nfs/dbraw/zinc/27/33/14/343273314.db2.gz LAZOFMSWDPELHT-SNVBAGLBSA-N 1 0 292.339 1.224 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000382531823 362150899 /nfs/dbraw/zinc/15/08/99/362150899.db2.gz WGSNXWBJMSUNTL-KOLCDFICSA-N 1 0 263.297 1.452 20 5 CDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000596482707 343328021 /nfs/dbraw/zinc/32/80/21/343328021.db2.gz UNDSARYLPNWCLR-VIFPVBQESA-N 1 0 266.301 1.137 20 5 CDBDRO CC[C@@H]([NH2+]CC1(CO)COC1)c1cccc([N+](=O)[O-])c1 ZINC000090644619 342396875 /nfs/dbraw/zinc/39/68/75/342396875.db2.gz FKIDIDVQSVGRBR-CYBMUJFWSA-N 1 0 280.324 1.644 20 5 CDBDRO CCc1nn(C)c(N2CC[C@H](C[N@@H+](C)CC)C2)c1[N+](=O)[O-] ZINC000092830482 342419455 /nfs/dbraw/zinc/41/94/55/342419455.db2.gz PWHMEASMIQWNFP-LLVKDONJSA-N 1 0 295.387 1.669 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH2+]C2(CCCCC2)C1 ZINC000400765273 342442793 /nfs/dbraw/zinc/44/27/93/342442793.db2.gz KNZAZUOVTSADLB-UHFFFAOYSA-N 1 0 292.339 1.671 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@H]1C ZINC000535741878 282276620 /nfs/dbraw/zinc/27/66/20/282276620.db2.gz NHNHFYLZBFIRIK-MNOVXSKESA-N 1 0 294.355 1.488 20 5 CDBDRO [NH3+]CC1(NC(=O)Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000111831687 365796912 /nfs/dbraw/zinc/79/69/12/365796912.db2.gz CDEWDDFIJDCMBL-UHFFFAOYSA-N 1 0 277.324 1.525 20 5 CDBDRO COc1c(C(=O)NCC[C@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000597993671 343683837 /nfs/dbraw/zinc/68/38/37/343683837.db2.gz VGPIKLGQIJOGFC-JTQLQIEISA-N 1 0 295.339 1.673 20 5 CDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000598341451 343770193 /nfs/dbraw/zinc/77/01/93/343770193.db2.gz BTTKPOQOTLURJJ-VIFPVBQESA-N 1 0 266.301 1.137 20 5 CDBDRO Cc1c(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598667455 343862555 /nfs/dbraw/zinc/86/25/55/343862555.db2.gz HSQXQRHUAOAAEJ-XHDPSFHLSA-N 1 0 289.335 1.857 20 5 CDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)Nc1cccc([N+](=O)[O-])c1 ZINC000598916318 343920002 /nfs/dbraw/zinc/92/00/02/343920002.db2.gz XUUJYUUAVUBKHE-WPRPVWTQSA-N 1 0 282.275 1.416 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000599084178 343958165 /nfs/dbraw/zinc/95/81/65/343958165.db2.gz PHVIAOYXZIJAJS-URLYPYJESA-N 1 0 279.344 1.116 20 5 CDBDRO COCc1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599176353 343966148 /nfs/dbraw/zinc/96/61/48/343966148.db2.gz RJKAVNHOVVWTMP-CYBMUJFWSA-N 1 0 295.339 1.220 20 5 CDBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1c(F)cccc1[N+](=O)[O-] ZINC000602429409 344422758 /nfs/dbraw/zinc/42/27/58/344422758.db2.gz CXENXWNFPVCNGL-SECBINFHSA-N 1 0 281.287 1.606 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602432606 344424160 /nfs/dbraw/zinc/42/41/60/344424160.db2.gz IMYDSIKUQGUXEU-VIFPVBQESA-N 1 0 269.276 1.447 20 5 CDBDRO COc1cc(C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000602596646 344502598 /nfs/dbraw/zinc/50/25/98/344502598.db2.gz QRZIIJYTNMHDTO-KWQFWETISA-N 1 0 293.323 1.474 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000602599905 344504360 /nfs/dbraw/zinc/50/43/60/344504360.db2.gz TUTCNUSNWBSOLB-YUMQZZPRSA-N 1 0 283.715 1.810 20 5 CDBDRO [NH3+][C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000602481169 344447366 /nfs/dbraw/zinc/44/73/66/344447366.db2.gz AFJCOFWNFCYWAP-VIFPVBQESA-N 1 0 267.260 1.201 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602492675 344450629 /nfs/dbraw/zinc/45/06/29/344450629.db2.gz OMQAYLSEEPGHBP-JTQLQIEISA-N 1 0 277.324 1.480 20 5 CDBDRO C[C@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000602512408 344459705 /nfs/dbraw/zinc/45/97/05/344459705.db2.gz YEZRAWYBGFEZOD-VHSXEESVSA-N 1 0 295.314 1.791 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602590150 344479525 /nfs/dbraw/zinc/47/95/25/344479525.db2.gz XMXDGRHJYIDXOB-UWVGGRQHSA-N 1 0 298.302 1.329 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](CO)[C@@H]2CCOC2)cc1 ZINC000602642898 344513080 /nfs/dbraw/zinc/51/30/80/344513080.db2.gz CFLWZQJHSWVLPY-KGLIPLIRSA-N 1 0 294.351 1.372 20 5 CDBDRO C[C@H](CF)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602660912 344533639 /nfs/dbraw/zinc/53/36/39/344533639.db2.gz AVOGMCGGCWYPSH-SNVBAGLBSA-N 1 0 282.319 1.906 20 5 CDBDRO CC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C1CCOCC1 ZINC000602799694 344590061 /nfs/dbraw/zinc/59/00/61/344590061.db2.gz DITVUVNLKLKZEN-ZDUSSCGKSA-N 1 0 296.371 1.895 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1C1CC1 ZINC000602773756 344577655 /nfs/dbraw/zinc/57/76/55/344577655.db2.gz YIBMCJCZDICQJO-LBPRGKRZSA-N 1 0 264.329 1.974 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOCC2(CCC2)C1 ZINC000602807586 344615833 /nfs/dbraw/zinc/61/58/33/344615833.db2.gz HYGICIPFHLAPIB-UHFFFAOYSA-N 1 0 294.355 1.602 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000602810897 344603085 /nfs/dbraw/zinc/60/30/85/344603085.db2.gz IMRPCQZNATXJGM-NWDGAFQWSA-N 1 0 264.329 1.974 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[C@@H]1[NH3+] ZINC000122428341 344881166 /nfs/dbraw/zinc/88/11/66/344881166.db2.gz CWNXYBIFPGIJIT-BDAKNGLRSA-N 1 0 283.353 1.856 20 5 CDBDRO C[C@@](C[NH3+])(NC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000127294445 187294649 /nfs/dbraw/zinc/29/46/49/187294649.db2.gz GPZXGBJVYHVGCC-AWEZNQCLSA-N 1 0 277.324 1.381 20 5 CDBDRO O=C(CC[NH2+]C1CC1)NCc1cccc([N+](=O)[O-])c1 ZINC000052943227 345584488 /nfs/dbraw/zinc/58/44/88/345584488.db2.gz HDHNBVDZIBEUJF-UHFFFAOYSA-N 1 0 263.297 1.353 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000088147695 346012793 /nfs/dbraw/zinc/01/27/93/346012793.db2.gz BQHHWYAXGTUNLZ-LLVKDONJSA-N 1 0 277.324 1.857 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])nc3)CC[C@H]21 ZINC000610808009 346444012 /nfs/dbraw/zinc/44/40/12/346444012.db2.gz OLGILFAOPVFTHQ-DGCLKSJQSA-N 1 0 276.340 1.910 20 5 CDBDRO CC(C)(CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000310921590 535050417 /nfs/dbraw/zinc/05/04/17/535050417.db2.gz HIEWXMBVUZSTHP-UHFFFAOYSA-N 1 0 256.277 1.985 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3c[nH]nc3C2)cc1 ZINC000611009436 346574648 /nfs/dbraw/zinc/57/46/48/346574648.db2.gz YYHIXEIZHBHRNW-UHFFFAOYSA-N 1 0 272.308 1.919 20 5 CDBDRO CC[N@@H+]1CCN(c2nccc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000611084626 346603655 /nfs/dbraw/zinc/60/36/55/346603655.db2.gz HUPUCKZUJWNTQQ-LLVKDONJSA-N 1 0 264.329 1.829 20 5 CDBDRO Cn1ccnc1[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000611409832 346778669 /nfs/dbraw/zinc/77/86/69/346778669.db2.gz PVDDLZDHRWJPQQ-LBPRGKRZSA-N 1 0 290.327 1.266 20 5 CDBDRO COc1ccc(C(=O)N(C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000295148023 199372596 /nfs/dbraw/zinc/37/25/96/199372596.db2.gz CKDXEZYTDDWJDS-UHFFFAOYSA-N 1 0 279.296 1.165 20 5 CDBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000056240462 348814947 /nfs/dbraw/zinc/81/49/47/348814947.db2.gz HMIOTLKDPACFRN-GHMZBOCLSA-N 1 0 294.355 1.773 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@H]([NH3+])C[C@@H]1C ZINC001579180760 1172111007 /nfs/dbraw/zinc/11/10/07/1172111007.db2.gz QRFQURHHWWIHPW-GXSJLCMTSA-N 1 0 265.313 1.525 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCN(c2cc[nH+]cc2)CC1 ZINC000008338152 350548402 /nfs/dbraw/zinc/54/84/02/350548402.db2.gz YYTRQGSVQGRQGK-UHFFFAOYSA-N 1 0 288.311 1.050 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000109546877 186262299 /nfs/dbraw/zinc/26/22/99/186262299.db2.gz DWZTZQOPTYTCMT-NSHDSACASA-N 1 0 266.297 1.872 20 5 CDBDRO C[NH2+][C@H]1CCCN(c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000111051375 186348703 /nfs/dbraw/zinc/34/87/03/186348703.db2.gz FEUAOOZVCJXUAG-JTQLQIEISA-N 1 0 265.313 1.792 20 5 CDBDRO CCN1CC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000619823306 350856681 /nfs/dbraw/zinc/85/66/81/350856681.db2.gz NKIBSTRXOILBJM-MFKMUULPSA-N 1 0 277.324 1.866 20 5 CDBDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000111268297 186383616 /nfs/dbraw/zinc/38/36/16/186383616.db2.gz QDKXCFXTZYEZJP-LBPRGKRZSA-N 1 0 277.324 1.553 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000111303671 186393610 /nfs/dbraw/zinc/39/36/10/186393610.db2.gz GUFIGCMREYMRGB-VIFPVBQESA-N 1 0 251.286 1.370 20 5 CDBDRO Cc1ccc(C[N@@H+]2CC[C@H](n3cncn3)C2)cc1[N+](=O)[O-] ZINC000364505767 363034400 /nfs/dbraw/zinc/03/44/00/363034400.db2.gz FHECFZVAYGPFQZ-ZDUSSCGKSA-N 1 0 287.323 1.942 20 5 CDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1csc([N+](=O)[O-])c1 ZINC000122180074 187019282 /nfs/dbraw/zinc/01/92/82/187019282.db2.gz FPGDFJRFJYIMAR-LLVKDONJSA-N 1 0 271.342 1.760 20 5 CDBDRO C[C@H](CCCC[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000292029323 198138691 /nfs/dbraw/zinc/13/86/91/198138691.db2.gz GMXLYODYPKAVGJ-LLVKDONJSA-N 1 0 279.340 1.771 20 5 CDBDRO CC[C@H](NC(=O)CC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000236994940 363190438 /nfs/dbraw/zinc/19/04/38/363190438.db2.gz IWGMXLUQRUDQQP-NSHDSACASA-N 1 0 251.286 1.511 20 5 CDBDRO CSC[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000292288114 198231351 /nfs/dbraw/zinc/23/13/51/198231351.db2.gz CEUGIFMTPSLTLW-LLVKDONJSA-N 1 0 284.385 1.866 20 5 CDBDRO CO[C@H]1CCCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000361762931 358475264 /nfs/dbraw/zinc/47/52/64/358475264.db2.gz FRLVAXSDYFEHCN-QWRGUYRKSA-N 1 0 268.317 1.339 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158629022 188386514 /nfs/dbraw/zinc/38/65/14/188386514.db2.gz YNZLUKIEGJBUPM-OAHLLOKOSA-N 1 0 289.335 1.349 20 5 CDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159130933 188410181 /nfs/dbraw/zinc/41/01/81/188410181.db2.gz MPXJYLZBYJSMLK-AWEZNQCLSA-N 1 0 293.298 1.560 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CC[NH2+]2)c1 ZINC001579393421 1172165560 /nfs/dbraw/zinc/16/55/60/1172165560.db2.gz UEAZQTXSRSYTCE-VIFPVBQESA-N 1 0 295.364 1.751 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CCC[NH3+])c1 ZINC000295246870 199422836 /nfs/dbraw/zinc/42/28/36/199422836.db2.gz PWNQTMLGOPKVQF-JTQLQIEISA-N 1 0 265.313 1.760 20 5 CDBDRO [NH3+]C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000164678145 363399386 /nfs/dbraw/zinc/39/93/86/363399386.db2.gz QKCDBKUUPLHDQJ-NSHDSACASA-N 1 0 285.731 1.408 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272621593 191828532 /nfs/dbraw/zinc/82/85/32/191828532.db2.gz LWHQMCPXDTZIRH-VIFPVBQESA-N 1 0 299.758 1.905 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000163287727 356166684 /nfs/dbraw/zinc/16/66/84/356166684.db2.gz QGGPZXNKJNMATL-HTQZYQBOSA-N 1 0 269.326 1.466 20 5 CDBDRO COCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000358422228 356208752 /nfs/dbraw/zinc/20/87/52/356208752.db2.gz BFALOBUMHCMNFQ-UHFFFAOYSA-N 1 0 280.328 1.513 20 5 CDBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(=O)[nH]n1 ZINC000286275006 356242730 /nfs/dbraw/zinc/24/27/30/356242730.db2.gz VMVAYNJCZRZSRM-SNVBAGLBSA-N 1 0 288.307 1.571 20 5 CDBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](CC3CC3)CC2)nc1 ZINC000273570071 192208395 /nfs/dbraw/zinc/20/83/95/192208395.db2.gz DEBSAHYHHVBFCE-UHFFFAOYSA-N 1 0 277.328 1.671 20 5 CDBDRO CN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H](C[NH3+])C1CC1 ZINC000359875195 356429278 /nfs/dbraw/zinc/42/92/78/356429278.db2.gz JZRDNCMKEQAYRG-AWEZNQCLSA-N 1 0 279.340 1.643 20 5 CDBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000037872750 356547549 /nfs/dbraw/zinc/54/75/49/356547549.db2.gz FOFPFBJLSHTJDP-SMDDNHRTSA-N 1 0 290.323 1.503 20 5 CDBDRO C[C@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000163649093 357036397 /nfs/dbraw/zinc/03/63/97/357036397.db2.gz UAHAHVGDUAZUKH-VHSXEESVSA-N 1 0 295.314 1.791 20 5 CDBDRO CC(C)[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000106409294 357244658 /nfs/dbraw/zinc/24/46/58/357244658.db2.gz YJUSRAVGNQHIPO-ZDUSSCGKSA-N 1 0 279.340 1.797 20 5 CDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000264468305 357330629 /nfs/dbraw/zinc/33/06/29/357330629.db2.gz FVFCUSXODHTNJN-GFCCVEGCSA-N 1 0 293.323 1.045 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000261874021 357338314 /nfs/dbraw/zinc/33/83/14/357338314.db2.gz SSFLGDMDSPSIFR-WDEREUQCSA-N 1 0 293.323 1.169 20 5 CDBDRO Cn1c(C(=O)N[C@H]2C[C@H]2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000361081824 357793335 /nfs/dbraw/zinc/79/33/35/357793335.db2.gz SONTUTXITZGENV-QWRGUYRKSA-N 1 0 292.339 1.051 20 5 CDBDRO O=C(N[C@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])s1 ZINC000361093896 357797972 /nfs/dbraw/zinc/79/79/72/357797972.db2.gz DFRWJFJUIKKAII-UWVGGRQHSA-N 1 0 295.364 1.774 20 5 CDBDRO CN(CCC[NH3+])C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135239959 357805431 /nfs/dbraw/zinc/80/54/31/357805431.db2.gz AIRGCNODXITYJO-UHFFFAOYSA-N 1 0 255.249 1.155 20 5 CDBDRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000361112359 357807309 /nfs/dbraw/zinc/80/73/09/357807309.db2.gz UOWUWZGFBOZNFR-UONOGXRCSA-N 1 0 289.335 1.713 20 5 CDBDRO COc1cccc(N2CC[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC000261591524 357839426 /nfs/dbraw/zinc/83/94/26/357839426.db2.gz LZHNAEIMHLZAOX-CYBMUJFWSA-N 1 0 265.313 1.779 20 5 CDBDRO Cc1ccc(C[N@@H+](C)CC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000188838766 357943167 /nfs/dbraw/zinc/94/31/67/357943167.db2.gz UYMAHHPBUVPGEV-UHFFFAOYSA-N 1 0 294.351 1.877 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000566609900 358174721 /nfs/dbraw/zinc/17/47/21/358174721.db2.gz XQKXUPOXNVFNEE-SNVBAGLBSA-N 1 0 280.328 1.392 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@]1(O)CCOC1)CCC2 ZINC000193050360 358261026 /nfs/dbraw/zinc/26/10/26/358261026.db2.gz QODHPLZDAQBZNC-GJZGRUSLSA-N 1 0 292.335 1.713 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000193552220 358303015 /nfs/dbraw/zinc/30/30/15/358303015.db2.gz YDQJHWJTJAKBED-SCZZXKLOSA-N 1 0 278.312 1.047 20 5 CDBDRO CCC(CC)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000111831198 358311513 /nfs/dbraw/zinc/31/15/13/358311513.db2.gz IOBLESJHPILSNP-UHFFFAOYSA-N 1 0 254.290 1.170 20 5 CDBDRO Cc1nc(NCC2=CC[N@H+](C)CC2)ncc1[N+](=O)[O-] ZINC000294873419 199225337 /nfs/dbraw/zinc/22/53/37/199225337.db2.gz DXTQTJYFIBIZBJ-UHFFFAOYSA-N 1 0 263.301 1.367 20 5 CDBDRO C[C@H](O)CC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000135406197 358636462 /nfs/dbraw/zinc/63/64/62/358636462.db2.gz DLCLFBNZSRYRTA-NSHDSACASA-N 1 0 252.314 1.840 20 5 CDBDRO CCC[C@@H](O)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567877861 358742199 /nfs/dbraw/zinc/74/21/99/358742199.db2.gz VFZMOIQIYMDADI-NEPJUHHUSA-N 1 0 298.339 1.085 20 5 CDBDRO [NH3+][C@@H]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000567879240 358742402 /nfs/dbraw/zinc/74/24/02/358742402.db2.gz OGEPXSPOCBNARQ-SNVBAGLBSA-N 1 0 262.313 1.406 20 5 CDBDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000162832159 358834713 /nfs/dbraw/zinc/83/47/13/358834713.db2.gz PKNWJLLCEFBBAW-ZYHUDNBSSA-N 1 0 250.298 1.798 20 5 CDBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000291060300 358843150 /nfs/dbraw/zinc/84/31/50/358843150.db2.gz XXJDZJQLIQKCNM-SECBINFHSA-N 1 0 283.332 1.168 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000104114126 358947302 /nfs/dbraw/zinc/94/73/02/358947302.db2.gz ZYGKTUXPZQEZBR-JTQLQIEISA-N 1 0 278.312 1.668 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000104225115 358952069 /nfs/dbraw/zinc/95/20/69/358952069.db2.gz OQYJBGRCGRFUJK-VIFPVBQESA-N 1 0 251.286 1.370 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000087383943 359032961 /nfs/dbraw/zinc/03/29/61/359032961.db2.gz UDVWEDKMNUNLEX-LBPRGKRZSA-N 1 0 263.297 1.370 20 5 CDBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CC[C@H]1CCOC1)CC2 ZINC000450691822 358980773 /nfs/dbraw/zinc/98/07/73/358980773.db2.gz JPYKSTRMGVZZBU-NSHDSACASA-N 1 0 277.324 1.775 20 5 CDBDRO CC[C@@H](C)[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000451839389 359084332 /nfs/dbraw/zinc/08/43/32/359084332.db2.gz JSGOXXWCOXCFJP-GFCCVEGCSA-N 1 0 281.360 1.207 20 5 CDBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000342578905 359119284 /nfs/dbraw/zinc/11/92/84/359119284.db2.gz WORJGTXTPMOHNT-JTQLQIEISA-N 1 0 282.344 1.773 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365354234 359366022 /nfs/dbraw/zinc/36/60/22/359366022.db2.gz HFUBVUFOSCYQFJ-NOZJJQNGSA-N 1 0 293.298 1.558 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054150131 359543642 /nfs/dbraw/zinc/54/36/42/359543642.db2.gz NHJIPQJDRHWKTP-NSHDSACASA-N 1 0 295.314 1.948 20 5 CDBDRO Cc1nc(N2CCC[C@@H]2C[NH+](C)C)ncc1[N+](=O)[O-] ZINC000297369351 200166010 /nfs/dbraw/zinc/16/60/10/200166010.db2.gz CQTVLMBERWGLRF-SNVBAGLBSA-N 1 0 265.317 1.224 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)CC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000135716442 359951237 /nfs/dbraw/zinc/95/12/37/359951237.db2.gz GVIOLWCUIJYEQK-DTWKUNHWSA-N 1 0 251.286 1.509 20 5 CDBDRO CS[C@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)C[C@H]1[NH+](C)C ZINC000270394828 360485565 /nfs/dbraw/zinc/48/55/65/360485565.db2.gz UBKBAFFIJBVETJ-NEPJUHHUSA-N 1 0 296.396 1.780 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000178977547 189158994 /nfs/dbraw/zinc/15/89/94/189158994.db2.gz DVSMJGYZVRTGHO-VIFPVBQESA-N 1 0 297.742 1.930 20 5 CDBDRO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000180426112 189254839 /nfs/dbraw/zinc/25/48/39/189254839.db2.gz SRXQVLAULJKUSM-SNVBAGLBSA-N 1 0 277.324 1.772 20 5 CDBDRO Cc1c(C[N@@H+]2CC[C@@H](CC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000367306828 361285480 /nfs/dbraw/zinc/28/54/80/361285480.db2.gz AWRLCGGKMICFLH-NSHDSACASA-N 1 0 277.324 1.601 20 5 CDBDRO CC[N@H+](C)C[C@@H]1CCN(c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000301421801 201003055 /nfs/dbraw/zinc/00/30/55/201003055.db2.gz FHPXNMJZCVJART-NSHDSACASA-N 1 0 281.360 1.415 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000237389675 361402958 /nfs/dbraw/zinc/40/29/58/361402958.db2.gz FHWYPBGKVMJZKH-VIFPVBQESA-N 1 0 292.339 1.494 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])s1)C1CC[NH2+]CC1 ZINC000036283028 361421591 /nfs/dbraw/zinc/42/15/91/361421591.db2.gz RECRQKUTQLEXOC-UHFFFAOYSA-N 1 0 269.326 1.480 20 5 CDBDRO Cc1cnc(NC[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000291638922 239215132 /nfs/dbraw/zinc/21/51/32/239215132.db2.gz AZNRTZQEXAMZPU-SNVBAGLBSA-N 1 0 252.318 1.908 20 5 CDBDRO C[C@H](Nc1ncc([N+](=O)[O-])cn1)C(C)(C)C[NH+](C)C ZINC000302155863 201370802 /nfs/dbraw/zinc/37/08/02/201370802.db2.gz MRHQVALACCWXBM-VIFPVBQESA-N 1 0 267.333 1.773 20 5 CDBDRO COc1ccc(CNC(=O)[C@H](C)[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000295210244 239302533 /nfs/dbraw/zinc/30/25/33/239302533.db2.gz AIROJXQONRIZCY-VIFPVBQESA-N 1 0 293.323 1.360 20 5 CDBDRO C[C@@H]1C[C@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580423087 363905963 /nfs/dbraw/zinc/90/59/63/363905963.db2.gz DLKQZROAKFHQSY-MDZLAQPJSA-N 1 0 280.324 1.580 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CCn1cc([N+](=O)[O-])cc(F)c1=O ZINC000582121966 364069925 /nfs/dbraw/zinc/06/99/25/364069925.db2.gz RLZACQZBFBFUKE-JTQLQIEISA-N 1 0 283.303 1.770 20 5 CDBDRO COC[C@@H](CCO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000223970112 370765673 /nfs/dbraw/zinc/76/56/73/370765673.db2.gz HDCJIHGMMHGRME-ZYHUDNBSSA-N 1 0 268.313 1.643 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000268151879 364368028 /nfs/dbraw/zinc/36/80/28/364368028.db2.gz MGRTWRNBBFVHEF-VIFPVBQESA-N 1 0 283.303 1.804 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261664746 364801965 /nfs/dbraw/zinc/80/19/65/364801965.db2.gz KVQPDOKVJHRMFN-NSHDSACASA-N 1 0 294.330 1.218 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000262750723 364919352 /nfs/dbraw/zinc/91/93/52/364919352.db2.gz MKNIZXUIJKZSAL-BXKDBHETSA-N 1 0 292.339 1.519 20 5 CDBDRO CO[C@H](C[NH3+])CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000232113915 366971190 /nfs/dbraw/zinc/97/11/90/366971190.db2.gz HWZFWXSXVGMKLP-JTQLQIEISA-N 1 0 267.285 1.206 20 5 CDBDRO COC[C@@]1(CNCc2ccc([N+](=O)[O-])cc2F)CCC[NH2+]1 ZINC000414944356 241474525 /nfs/dbraw/zinc/47/45/25/241474525.db2.gz NSMVXKQWTYVUCV-AWEZNQCLSA-N 1 0 297.330 1.592 20 5 CDBDRO COc1ccc(CN[C@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000414990497 241504593 /nfs/dbraw/zinc/50/45/93/241504593.db2.gz OPWKXGIICVRASP-SECBINFHSA-N 1 0 289.282 1.676 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000272198848 367310543 /nfs/dbraw/zinc/31/05/43/367310543.db2.gz GFZZZVRMWXSUNR-SFYZADRCSA-N 1 0 296.302 1.125 20 5 CDBDRO C[C@@H](NC(=O)N[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000417136943 242332903 /nfs/dbraw/zinc/33/29/03/242332903.db2.gz LQHLGDHXZGTONQ-KOLCDFICSA-N 1 0 278.312 1.317 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417141701 242334159 /nfs/dbraw/zinc/33/41/59/242334159.db2.gz RTOOOULPGVQPOX-WDEREUQCSA-N 1 0 294.355 1.811 20 5 CDBDRO C[C@@H](NC(=O)NC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000417144680 242336705 /nfs/dbraw/zinc/33/67/05/242336705.db2.gz VWYIDBRXQKZBFG-ZYHUDNBSSA-N 1 0 292.339 1.707 20 5 CDBDRO Cc1sc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000272275460 367671416 /nfs/dbraw/zinc/67/14/16/367671416.db2.gz OAVSTIRTGWBPEZ-VXNVDRBHSA-N 1 0 283.353 1.774 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCC[NH2+]1 ZINC000414854189 367673426 /nfs/dbraw/zinc/67/34/26/367673426.db2.gz YTDRIJGYXSXRGE-GFCCVEGCSA-N 1 0 279.340 1.835 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000272297785 367673846 /nfs/dbraw/zinc/67/38/46/367673846.db2.gz QCAMLNONZZURTJ-WDEREUQCSA-N 1 0 293.323 1.169 20 5 CDBDRO [NH3+]CCCCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418512601 243163016 /nfs/dbraw/zinc/16/30/16/243163016.db2.gz QVTUHFFLNBXDMV-UHFFFAOYSA-N 1 0 292.339 1.401 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000418711749 243365615 /nfs/dbraw/zinc/36/56/15/243365615.db2.gz NGFZGIVSKMERMU-JTQLQIEISA-N 1 0 294.355 1.866 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C1CC(O)C1 ZINC000353486217 368642720 /nfs/dbraw/zinc/64/27/20/368642720.db2.gz ABUZJNSJUAHYQG-UHFFFAOYSA-N 1 0 293.323 1.297 20 5 CDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000330595432 203016558 /nfs/dbraw/zinc/01/65/58/203016558.db2.gz QUHYBEBBTYIBNO-RYUDHWBXSA-N 1 0 291.351 1.688 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000089091232 368827796 /nfs/dbraw/zinc/82/77/96/368827796.db2.gz ZVFRHAZNUASYPQ-SFYZADRCSA-N 1 0 253.258 1.045 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])NCCOc1ccccc1[N+](=O)[O-] ZINC000420366939 244154465 /nfs/dbraw/zinc/15/44/65/244154465.db2.gz RNBNKUCEXHKCHR-ZDUSSCGKSA-N 1 0 281.356 1.937 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ncc([N+](=O)[O-])cc1F ZINC000420640213 244304940 /nfs/dbraw/zinc/30/49/40/244304940.db2.gz SQLPXICCHOUNLW-SECBINFHSA-N 1 0 268.292 1.659 20 5 CDBDRO C[C@@H]([NH2+]CCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000037740628 370038162 /nfs/dbraw/zinc/03/81/62/370038162.db2.gz DJPPQJPAPQSTGB-SECBINFHSA-N 1 0 272.326 1.290 20 5 CDBDRO C[NH+](C)C1CCC(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000422005296 244932104 /nfs/dbraw/zinc/93/21/04/244932104.db2.gz ISTJIENXSQVXHU-UHFFFAOYSA-N 1 0 280.328 1.526 20 5 CDBDRO CCC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000331257681 203662718 /nfs/dbraw/zinc/66/27/18/203662718.db2.gz YHDXDPNDKFZPRP-CYBMUJFWSA-N 1 0 282.344 1.274 20 5 CDBDRO COc1cc(CN[C@H](C)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000414921310 370301576 /nfs/dbraw/zinc/30/15/76/370301576.db2.gz ARYCHFRYYJAPHO-MRVPVSSYSA-N 1 0 269.301 1.049 20 5 CDBDRO Cc1c(CC(=O)NC[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000422767304 245233322 /nfs/dbraw/zinc/23/33/22/245233322.db2.gz RVMJKJLTPURRQO-GFCCVEGCSA-N 1 0 291.351 1.562 20 5 CDBDRO Cc1c(CC(=O)NCC[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000422789050 245258205 /nfs/dbraw/zinc/25/82/05/245258205.db2.gz SYAICUACRFYMRP-VIFPVBQESA-N 1 0 265.313 1.299 20 5 CDBDRO C[C@H](C[C@H]1COCCN1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422796929 245267312 /nfs/dbraw/zinc/26/73/12/245267312.db2.gz ZLQIDIBIPGEYBT-OCCSQVGLSA-N 1 0 293.367 1.494 20 5 CDBDRO CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1[C@H]1CCCO1 ZINC000368073289 371506605 /nfs/dbraw/zinc/50/66/05/371506605.db2.gz KZUAHTBWFLRMDF-DGCLKSJQSA-N 1 0 294.355 1.681 20 5 CDBDRO C[C@@]1(O)CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269637981 373243999 /nfs/dbraw/zinc/24/39/99/373243999.db2.gz HYOSVBUZWVVLDA-CHWSQXEVSA-N 1 0 266.297 1.085 20 5 CDBDRO C[C@@H](O)C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000130722526 373480101 /nfs/dbraw/zinc/48/01/01/373480101.db2.gz IMULDOJRGPWTPR-OKPNEXGHSA-N 1 0 250.298 1.921 20 5 CDBDRO Cc1c(CC(=O)NCCCC[NH3+])cccc1[N+](=O)[O-] ZINC000423500136 245858556 /nfs/dbraw/zinc/85/85/56/245858556.db2.gz KDRFXSCOKOGZIU-UHFFFAOYSA-N 1 0 265.313 1.301 20 5 CDBDRO C[C@@H](O)CC[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269675458 373670090 /nfs/dbraw/zinc/67/00/90/373670090.db2.gz PBKWJDKAPVUJIS-MFKMUULPSA-N 1 0 268.313 1.331 20 5 CDBDRO Cc1ccc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1[N+](=O)[O-] ZINC000368352837 373824372 /nfs/dbraw/zinc/82/43/72/373824372.db2.gz XVCRKAIIPKLRAT-ITGUQSILSA-N 1 0 262.309 1.573 20 5 CDBDRO Cc1c(CC(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cccc1[N+](=O)[O-] ZINC000423611392 245936693 /nfs/dbraw/zinc/93/66/93/245936693.db2.gz NJIANQNOXSKCCE-DGCLKSJQSA-N 1 0 291.351 1.702 20 5 CDBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000274125289 374131644 /nfs/dbraw/zinc/13/16/44/374131644.db2.gz XNSKXCITLOJQAM-RYUDHWBXSA-N 1 0 280.324 1.988 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[NH2+]C(C)(C)C)c1 ZINC000153854263 374094635 /nfs/dbraw/zinc/09/46/35/374094635.db2.gz IKUPAVIKQDAFFR-UHFFFAOYSA-N 1 0 295.339 1.721 20 5 CDBDRO CN(C(=O)NCCc1ccccc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000417770445 374253018 /nfs/dbraw/zinc/25/30/18/374253018.db2.gz UGNBETHYATXHPI-UHFFFAOYSA-N 1 0 292.339 1.268 20 5 CDBDRO CCOC(=O)c1cc(NCC[NH2+]C)ccc1[N+](=O)[O-] ZINC000420152433 374289369 /nfs/dbraw/zinc/28/93/69/374289369.db2.gz DNGSNMLQJKAQEQ-UHFFFAOYSA-N 1 0 267.285 1.403 20 5 CDBDRO CCOCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369489408 374355107 /nfs/dbraw/zinc/35/51/07/374355107.db2.gz GAJHSFAUBONJPX-UHFFFAOYSA-N 1 0 268.317 1.465 20 5 CDBDRO C[C@@H](NC[C@@H]1C[NH2+]CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000423486332 374386534 /nfs/dbraw/zinc/38/65/34/374386534.db2.gz WIECRKWQPQWHIE-RISCZKNCSA-N 1 0 278.356 1.149 20 5 CDBDRO CC[C@H]([NH2+]C[C@@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423523851 374387732 /nfs/dbraw/zinc/38/77/32/374387732.db2.gz NUJZHNCRLJXNHQ-KBPBESRZSA-N 1 0 279.340 1.624 20 5 CDBDRO NC(=O)c1ccc(CN[C@@H]2CCCC[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000424289809 374407187 /nfs/dbraw/zinc/40/71/87/374407187.db2.gz CIEZSGGJULEJEC-VXGBXAGGSA-N 1 0 292.339 1.053 20 5 CDBDRO [NH3+]C[C@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000347178343 374413791 /nfs/dbraw/zinc/41/37/91/374413791.db2.gz SOGOXUSEDZJHDF-KTLBGCOUSA-N 1 0 261.325 1.889 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000389751719 374457585 /nfs/dbraw/zinc/45/75/85/374457585.db2.gz LVEKIEGCIDBRBW-WLFDKREMSA-N 1 0 289.335 1.722 20 5 CDBDRO C[NH+](C)CCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000081588953 374527675 /nfs/dbraw/zinc/52/76/75/374527675.db2.gz SLAKMXSJFYSREL-UHFFFAOYSA-N 1 0 261.285 1.512 20 5 CDBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH3+] ZINC000423941953 246240260 /nfs/dbraw/zinc/24/02/60/246240260.db2.gz FBSODGULTPLQAS-PRHODGIISA-N 1 0 297.742 1.596 20 5 CDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000423944525 246242394 /nfs/dbraw/zinc/24/23/94/246242394.db2.gz FVCRBVSEVMXPMG-GFCCVEGCSA-N 1 0 295.339 1.463 20 5 CDBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1(CO)CCC1 ZINC000429231525 374575380 /nfs/dbraw/zinc/57/53/80/374575380.db2.gz GOIQHLFEGPMHEL-UHFFFAOYSA-N 1 0 293.323 1.041 20 5 CDBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1(CO)CCC1 ZINC000429257252 374576323 /nfs/dbraw/zinc/57/63/23/374576323.db2.gz SHHFWOBZWVAPFK-UHFFFAOYSA-N 1 0 290.323 1.818 20 5 CDBDRO Cc1sc(C(=O)NC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000429137422 374567882 /nfs/dbraw/zinc/56/78/82/374567882.db2.gz TZBMCLSTTDVNRC-QMMMGPOBSA-N 1 0 271.342 1.678 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[C@H](C)[NH3+] ZINC000070315657 374660666 /nfs/dbraw/zinc/66/06/66/374660666.db2.gz OYEHGNPAVOXLHV-VIFPVBQESA-N 1 0 251.286 1.969 20 5 CDBDRO CCN1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1=O ZINC000449518945 374816923 /nfs/dbraw/zinc/81/69/23/374816923.db2.gz OZOUPXYVFOQHAD-VUDGCMKMSA-N 1 0 289.335 1.818 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000449582982 374821436 /nfs/dbraw/zinc/82/14/36/374821436.db2.gz AZRXUAVYIKFEOO-BQBZGAKWSA-N 1 0 271.704 1.714 20 5 CDBDRO CC1(C)CCCC[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000094325098 374828431 /nfs/dbraw/zinc/82/84/31/374828431.db2.gz LRTKRCMZCNDNDA-STQMWFEESA-N 1 0 296.371 1.711 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000389844583 374764731 /nfs/dbraw/zinc/76/47/31/374764731.db2.gz PTGOWWRITPRKPG-YXZYKRAASA-N 1 0 289.335 1.722 20 5 CDBDRO Cc1ccnc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000278871269 374866120 /nfs/dbraw/zinc/86/61/20/374866120.db2.gz ZJNRCXKVIPXXHM-PHIMTYICSA-N 1 0 262.313 1.296 20 5 CDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330916285 374874400 /nfs/dbraw/zinc/87/44/00/374874400.db2.gz ZQBRSRZRHMKGKG-NSHDSACASA-N 1 0 294.355 1.869 20 5 CDBDRO COC[C@H](CO)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000279650458 374941510 /nfs/dbraw/zinc/94/15/10/374941510.db2.gz DYIBTDOYVVQHCK-AAEUAGOBSA-N 1 0 282.340 1.513 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[NH+]1CCC(C)CC1 ZINC000299374687 375165839 /nfs/dbraw/zinc/16/58/39/375165839.db2.gz SDMGHZMTQUAMIO-NSHDSACASA-N 1 0 294.355 1.773 20 5 CDBDRO C[NH+](C)CCCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000299521729 375177521 /nfs/dbraw/zinc/17/75/21/375177521.db2.gz YYIGCMJKTICQLW-UHFFFAOYSA-N 1 0 279.340 1.595 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000351864402 375336650 /nfs/dbraw/zinc/33/66/50/375336650.db2.gz XONJODUHWAFYMI-VHSXEESVSA-N 1 0 267.304 1.903 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2C2CCC2)c1 ZINC000304287131 375425610 /nfs/dbraw/zinc/42/56/10/375425610.db2.gz AZIRIETYXCBWPB-ZIAGYGMSSA-N 1 0 294.355 1.417 20 5 CDBDRO Cc1c(CNC(=O)/C=C\C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000493328234 375443728 /nfs/dbraw/zinc/44/37/28/375443728.db2.gz CENQTVDKFITWBC-YVMONPNESA-N 1 0 277.324 1.637 20 5 CDBDRO CC[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)C(N)=O ZINC000352784110 375538518 /nfs/dbraw/zinc/53/85/18/375538518.db2.gz NCENTBRNYQCWEP-ZDUSSCGKSA-N 1 0 281.312 1.347 20 5 CDBDRO COc1ccc(NC(=O)[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000132496064 375507116 /nfs/dbraw/zinc/50/71/16/375507116.db2.gz IJNGWFXGVMZTSX-SNVBAGLBSA-N 1 0 279.296 1.684 20 5 CDBDRO COC[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000227690380 375590606 /nfs/dbraw/zinc/59/06/06/375590606.db2.gz VDONHHAPARNWNJ-GWCFXTLKSA-N 1 0 268.313 1.907 20 5 CDBDRO CC[C@@H](CO)[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000294011956 375623371 /nfs/dbraw/zinc/62/33/71/375623371.db2.gz YFPFIRNIHOHCBL-NSHDSACASA-N 1 0 268.313 1.806 20 5 CDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC1CC[NH2+]CC1 ZINC000217467668 375650679 /nfs/dbraw/zinc/65/06/79/375650679.db2.gz CPMMAZNTICGLEY-UTCJRWHESA-N 1 0 289.335 1.724 20 5 CDBDRO C[C@@H](O)C[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000228112959 375694566 /nfs/dbraw/zinc/69/45/66/375694566.db2.gz IDONEMHABWULMQ-WDEREUQCSA-N 1 0 252.314 1.886 20 5 CDBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000058234896 375699272 /nfs/dbraw/zinc/69/92/72/375699272.db2.gz QQTYRRBXIZOLEE-CYBMUJFWSA-N 1 0 277.324 1.809 20 5 CDBDRO C[C@H]([NH2+]C[C@H]1CN(C)C(=O)O1)c1ccccc1[N+](=O)[O-] ZINC000496250473 375726253 /nfs/dbraw/zinc/72/62/53/375726253.db2.gz AQUQWPZPJRNOGX-UWVGGRQHSA-N 1 0 279.296 1.696 20 5 CDBDRO COCC[N@H+](CCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000133245494 375735516 /nfs/dbraw/zinc/73/55/16/375735516.db2.gz OVFSRYPWRRBYMY-UHFFFAOYSA-N 1 0 288.731 1.689 20 5 CDBDRO COc1ccc(C[NH2+][C@H](CO)CC(F)F)cc1[N+](=O)[O-] ZINC000428638027 247338841 /nfs/dbraw/zinc/33/88/41/247338841.db2.gz FIZWZCPXAIXUOI-VIFPVBQESA-N 1 0 290.266 1.709 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CO)CC(F)F)c1 ZINC000428639207 247339363 /nfs/dbraw/zinc/33/93/63/247339363.db2.gz HQGATNDYIPXKGB-SECBINFHSA-N 1 0 260.240 1.701 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH+](CC1CC1)CC1CC1 ZINC000357064462 375881634 /nfs/dbraw/zinc/88/16/34/375881634.db2.gz BVUDQKAYIUYOPZ-UHFFFAOYSA-N 1 0 264.329 1.950 20 5 CDBDRO COc1ccc(OCCN2CC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000430625265 247672814 /nfs/dbraw/zinc/67/28/14/247672814.db2.gz JTEPLGXKQNSTPV-JTQLQIEISA-N 1 0 281.312 1.015 20 5 CDBDRO Cc1cc(N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000266839400 377447334 /nfs/dbraw/zinc/44/73/34/377447334.db2.gz LOKLGSLAZDLRPQ-NEPJUHHUSA-N 1 0 294.355 1.190 20 5 CDBDRO C[NH2+]C[C@H](C)CNc1nc2sccn2c1[N+](=O)[O-] ZINC000129534974 377517987 /nfs/dbraw/zinc/51/79/87/377517987.db2.gz RRDIILAZOSHABE-ZETCQYMHSA-N 1 0 269.330 1.571 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000266913645 378657769 /nfs/dbraw/zinc/65/77/69/378657769.db2.gz XCAIWYZNYWDFCE-MWLCHTKSSA-N 1 0 263.297 1.476 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000266996938 379020751 /nfs/dbraw/zinc/02/07/51/379020751.db2.gz BVQLXYONHNJNAO-UHFFFAOYSA-N 1 0 291.351 1.896 20 5 CDBDRO O=C(C[C@@H]1CCC[NH2+]1)NCc1ccc([N+](=O)[O-])cc1 ZINC000042168062 379549787 /nfs/dbraw/zinc/54/97/87/379549787.db2.gz GLJIEQRKTDYQGT-NSHDSACASA-N 1 0 263.297 1.353 20 5 CDBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449745234 250995185 /nfs/dbraw/zinc/99/51/85/250995185.db2.gz LZUAHKMRYQIIOC-NZTAEXDXSA-N 1 0 289.335 1.852 20 5 CDBDRO Cc1nc(NC[C@H]2CC[N@@H+](CC(C)C)C2)ncc1[N+](=O)[O-] ZINC000450383345 251256042 /nfs/dbraw/zinc/25/60/42/251256042.db2.gz ZYBSGGMOYAKGMK-GFCCVEGCSA-N 1 0 293.371 1.505 20 5 CDBDRO [NH3+]C[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000382454718 412953547 /nfs/dbraw/zinc/95/35/47/412953547.db2.gz PMUHXWGGLOMVJL-VHSXEESVSA-N 1 0 299.352 1.001 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)n1 ZINC000451424968 251707868 /nfs/dbraw/zinc/70/78/68/251707868.db2.gz SYYAZAAFDRUDRI-XQQFMLRXSA-N 1 0 294.355 1.417 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493447672 253463715 /nfs/dbraw/zinc/46/37/15/253463715.db2.gz GUPYICHPUFXKEJ-BREXMAIKSA-N 1 0 295.314 1.991 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CCCC[NH3+] ZINC000494722309 253655050 /nfs/dbraw/zinc/65/50/50/253655050.db2.gz YWZUXOPSKKSGMZ-JTQLQIEISA-N 1 0 295.339 1.851 20 5 CDBDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000288544584 197108730 /nfs/dbraw/zinc/10/87/30/197108730.db2.gz AEIRTBRVJVZOLO-SLEUVZQESA-N 1 0 294.351 1.721 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c1 ZINC000153330094 533212907 /nfs/dbraw/zinc/21/29/07/533212907.db2.gz CCNKJWGUQYHDQY-NXEZZACHSA-N 1 0 293.323 1.426 20 5 CDBDRO CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000214661212 260043864 /nfs/dbraw/zinc/04/38/64/260043864.db2.gz FVHWKMRKQZSEPI-LLPBQKLSSA-N 1 0 275.308 1.428 20 5 CDBDRO COCC[C@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000281750623 195365046 /nfs/dbraw/zinc/36/50/46/195365046.db2.gz VYRZGOHNVCNJHS-NWDGAFQWSA-N 1 0 282.340 1.951 20 5 CDBDRO CC(C)[C@H](C[NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000433159784 390497470 /nfs/dbraw/zinc/49/74/70/390497470.db2.gz FRJJEQFZBLUZGW-AWEZNQCLSA-N 1 0 291.351 1.710 20 5 CDBDRO Cc1cc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000320014000 390501880 /nfs/dbraw/zinc/50/18/80/390501880.db2.gz AJQMHFOLYXWZIR-UWVGGRQHSA-N 1 0 265.313 1.759 20 5 CDBDRO C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](C[NH3+])C1 ZINC000261648942 390478928 /nfs/dbraw/zinc/47/89/28/390478928.db2.gz BFJCEHMVFJLMIF-VHSXEESVSA-N 1 0 292.339 1.376 20 5 CDBDRO O=[N+]([O-])c1ccc2ccnc(NC[C@H]3COCCO3)c2c1 ZINC000413072110 391155334 /nfs/dbraw/zinc/15/53/34/391155334.db2.gz NWXLRVKXVNRKAA-LBPRGKRZSA-N 1 0 289.291 1.970 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000520213524 391251747 /nfs/dbraw/zinc/25/17/47/391251747.db2.gz NBCVASIKKLJZGS-JTQLQIEISA-N 1 0 292.339 1.447 20 5 CDBDRO C[NH2+]CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000415290004 391278741 /nfs/dbraw/zinc/27/87/41/391278741.db2.gz CPVNDMURBSURJA-UHFFFAOYSA-N 1 0 266.301 1.553 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH2+]CC1 ZINC000415304324 391281173 /nfs/dbraw/zinc/28/11/73/391281173.db2.gz VKJOLBNVYHLPRG-UHFFFAOYSA-N 1 0 278.312 1.649 20 5 CDBDRO C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000294140157 391338556 /nfs/dbraw/zinc/33/85/56/391338556.db2.gz KWLUAHGILJVPDZ-LLVKDONJSA-N 1 0 295.339 1.288 20 5 CDBDRO COc1ccc(NC(=O)NC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000415452634 391459023 /nfs/dbraw/zinc/45/90/23/391459023.db2.gz YQJQVZMQBSCWRL-SNVBAGLBSA-N 1 0 296.327 1.708 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415628933 391469511 /nfs/dbraw/zinc/46/95/11/391469511.db2.gz HCFFMCRJECFPRV-PSASIEDQSA-N 1 0 296.302 1.983 20 5 CDBDRO CC[NH2+]CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415628130 391469720 /nfs/dbraw/zinc/46/97/20/391469720.db2.gz DTASOJQVOSTZGH-UHFFFAOYSA-N 1 0 270.264 1.465 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415637221 391470052 /nfs/dbraw/zinc/47/00/52/391470052.db2.gz ZVTOEXZTVUYSSU-PELKAZGASA-N 1 0 296.302 1.853 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415631747 391470218 /nfs/dbraw/zinc/47/02/18/391470218.db2.gz NQVQWTKHKILWLB-ZETCQYMHSA-N 1 0 270.264 1.463 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[NH3+] ZINC000415664837 391471758 /nfs/dbraw/zinc/47/17/58/391471758.db2.gz UOPGMDROCBEXIG-MRVPVSSYSA-N 1 0 282.300 1.462 20 5 CDBDRO CCc1nn(C)c(N2CC[C@@H]([NH3+])[C@H](C)C2)c1[N+](=O)[O-] ZINC000094342785 391527073 /nfs/dbraw/zinc/52/70/73/391527073.db2.gz ALJDQWWPCFDRLY-RKDXNWHRSA-N 1 0 267.333 1.064 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@H](F)C2)c1 ZINC000521427474 391630850 /nfs/dbraw/zinc/63/08/50/391630850.db2.gz FHTWGDSMXNBSHU-DMDPSCGWSA-N 1 0 298.314 1.815 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H](CO)C2)c1 ZINC000265918131 391653544 /nfs/dbraw/zinc/65/35/44/391653544.db2.gz XPGMPIOUBYXCAF-LLVKDONJSA-N 1 0 266.297 1.288 20 5 CDBDRO CN1CCN(Cc2ccc([N+](=O)[O-])cc2)C(C)(C)C1=O ZINC000129689821 391700265 /nfs/dbraw/zinc/70/02/65/391700265.db2.gz FZEVUWWSFMFELS-UHFFFAOYSA-N 1 0 277.324 1.647 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000237964187 391706470 /nfs/dbraw/zinc/70/64/70/391706470.db2.gz VUSKCOWJTCBAFB-VIFPVBQESA-N 1 0 283.715 1.812 20 5 CDBDRO COCCOCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449099484 391726686 /nfs/dbraw/zinc/72/66/86/391726686.db2.gz TXXDXCMXDGVIHD-LBPRGKRZSA-N 1 0 282.340 1.778 20 5 CDBDRO C[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])[NH+](C)C ZINC000341799245 130037804 /nfs/dbraw/zinc/03/78/04/130037804.db2.gz OBMCAYZVKALJBP-MRVPVSSYSA-N 1 0 266.301 1.056 20 5 CDBDRO C[C@@H]1CSCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000190393535 130098430 /nfs/dbraw/zinc/09/84/30/130098430.db2.gz BSVUZTAYUIDANZ-NSHDSACASA-N 1 0 297.380 1.441 20 5 CDBDRO CCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)CC(C)(C)O ZINC000353494858 391904093 /nfs/dbraw/zinc/90/40/93/391904093.db2.gz QWLXWEOURPTUGS-UHFFFAOYSA-N 1 0 270.333 1.311 20 5 CDBDRO C[C@](C[NH3+])(NC(=O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000237595487 131045374 /nfs/dbraw/zinc/04/53/74/131045374.db2.gz BWELWPBTYUVYRD-CQSZACIVSA-N 1 0 293.323 1.217 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000237980922 131070536 /nfs/dbraw/zinc/07/05/36/131070536.db2.gz XPBFUHSMJFUZLD-LLVKDONJSA-N 1 0 263.297 1.087 20 5 CDBDRO C[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000262613939 131241324 /nfs/dbraw/zinc/24/13/24/131241324.db2.gz ZKCUARKGZXTEDH-NSHDSACASA-N 1 0 293.323 1.184 20 5 CDBDRO CCC[C@@](C)([NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000262702420 131252322 /nfs/dbraw/zinc/25/23/22/131252322.db2.gz JJKWHCYIIOQOGQ-CQSZACIVSA-N 1 0 279.340 1.771 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000262701823 131252540 /nfs/dbraw/zinc/25/25/40/131252540.db2.gz AVBSLECRJFCNMS-BXUZGUMPSA-N 1 0 291.351 1.642 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000262710744 131253826 /nfs/dbraw/zinc/25/38/26/131253826.db2.gz CMVWWTRUMCQKRG-ZWNOBZJWSA-N 1 0 277.324 1.252 20 5 CDBDRO Cc1noc(C2CN(Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000459605062 392492794 /nfs/dbraw/zinc/49/27/94/392492794.db2.gz KXQVHVYRSUYIOW-UHFFFAOYSA-N 1 0 274.280 1.886 20 5 CDBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC(C)(C)C1 ZINC000459737161 392503093 /nfs/dbraw/zinc/50/30/93/392503093.db2.gz HNOXBHWDMOMSSR-LBPRGKRZSA-N 1 0 282.344 1.273 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000122561824 392646029 /nfs/dbraw/zinc/64/60/29/392646029.db2.gz OFPRTSJGIBADTA-GFCCVEGCSA-N 1 0 263.297 1.419 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCO[C@H](C[NH+](C)C)C1 ZINC000266504195 131741848 /nfs/dbraw/zinc/74/18/48/131741848.db2.gz BIEZTYPYOLOCND-CHWSQXEVSA-N 1 0 293.367 1.918 20 5 CDBDRO C[C@H]1C[NH2+]CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420178816 392900652 /nfs/dbraw/zinc/90/06/52/392900652.db2.gz UWKMVXZVYVBRGH-VIFPVBQESA-N 1 0 289.295 1.443 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417715419 392872966 /nfs/dbraw/zinc/87/29/66/392872966.db2.gz IRMKHFYAAJNBBC-NSHDSACASA-N 1 0 294.355 1.564 20 5 CDBDRO CC[NH2+]CCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417821075 392873906 /nfs/dbraw/zinc/87/39/06/392873906.db2.gz DETDJFXCZOGIKW-NSHDSACASA-N 1 0 294.355 1.873 20 5 CDBDRO C[NH2+]CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000418319508 392880801 /nfs/dbraw/zinc/88/08/01/392880801.db2.gz RJBTTWCNWBWCFD-UHFFFAOYSA-N 1 0 280.328 1.349 20 5 CDBDRO CN(CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+]1C ZINC000421011999 392926151 /nfs/dbraw/zinc/92/61/51/392926151.db2.gz SRZKENGTAPLHLX-ZDUSSCGKSA-N 1 0 293.367 2.000 20 5 CDBDRO O=C(NC1CC[NH2+]CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269107458 132113388 /nfs/dbraw/zinc/11/33/88/132113388.db2.gz GDCNEYDLQLDFEG-UHFFFAOYSA-N 1 0 289.291 1.823 20 5 CDBDRO COc1cc(C[N@@H+]2CC[C@](O)(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000489191230 392946275 /nfs/dbraw/zinc/94/62/75/392946275.db2.gz XICDFLNHIYALKJ-OAHLLOKOSA-N 1 0 292.335 1.950 20 5 CDBDRO C[C@@H]1CCNC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000422746228 392957085 /nfs/dbraw/zinc/95/70/85/392957085.db2.gz WFKRERGXEHZSMM-BXUZGUMPSA-N 1 0 263.341 1.725 20 5 CDBDRO C[C@@H](CN)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423368531 392962703 /nfs/dbraw/zinc/96/27/03/392962703.db2.gz NHIWLSXCJXKUGN-GARJFASQSA-N 1 0 267.333 1.212 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423669255 392965541 /nfs/dbraw/zinc/96/55/41/392965541.db2.gz SBLVOSMJKMJNPQ-PJXYFTJBSA-N 1 0 289.335 1.468 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000194924670 393010946 /nfs/dbraw/zinc/01/09/46/393010946.db2.gz OYVIKQUXPKULTL-QMMMGPOBSA-N 1 0 278.312 1.246 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000449595144 393135508 /nfs/dbraw/zinc/13/55/08/393135508.db2.gz ZYQLMOMITYQMAK-YUMQZZPRSA-N 1 0 285.731 1.643 20 5 CDBDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000449721959 393140083 /nfs/dbraw/zinc/14/00/83/393140083.db2.gz UZDSUCKIBAGWAW-CHWSQXEVSA-N 1 0 266.297 1.488 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCn3ccnc3C2)c1 ZINC000494445443 393233256 /nfs/dbraw/zinc/23/32/56/393233256.db2.gz QSQPTKAWYFGPEO-GFCCVEGCSA-N 1 0 272.308 1.896 20 5 CDBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000275336564 135105153 /nfs/dbraw/zinc/10/51/53/135105153.db2.gz GUZLISAGCICIGK-MNOVXSKESA-N 1 0 297.330 1.625 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](CC(C)C)CC1 ZINC000360840650 735282253 /nfs/dbraw/zinc/28/22/53/735282253.db2.gz BOGVEKJLEXAIAT-UHFFFAOYSA-N 1 0 295.387 1.898 20 5 CDBDRO COC[C@@H](O)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000129743985 139815913 /nfs/dbraw/zinc/81/59/13/139815913.db2.gz CAKJCWNGVAXMAY-YPMHNXCESA-N 1 0 282.340 1.513 20 5 CDBDRO COCC[NH2+]CCNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000215527992 140162076 /nfs/dbraw/zinc/16/20/76/140162076.db2.gz CCSPGEZJDQJHTG-UHFFFAOYSA-N 1 0 269.301 1.251 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000229590463 140202474 /nfs/dbraw/zinc/20/24/74/140202474.db2.gz HTZYTSMAWIATAK-CABZTGNLSA-N 1 0 278.312 1.857 20 5 CDBDRO COc1cc(C(=O)NCC2([NH3+])CCC2)ccc1[N+](=O)[O-] ZINC000230066719 140207321 /nfs/dbraw/zinc/20/73/21/140207321.db2.gz WSGUVHVYSWKAGT-UHFFFAOYSA-N 1 0 279.296 1.215 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1F ZINC000232233302 140221523 /nfs/dbraw/zinc/22/15/23/140221523.db2.gz MEJFZGIFOZHGDE-SECBINFHSA-N 1 0 281.287 1.606 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000235668343 140236397 /nfs/dbraw/zinc/23/63/97/140236397.db2.gz WIQMGCSJIKCXFJ-CABZTGNLSA-N 1 0 263.297 1.322 20 5 CDBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000252667293 140321988 /nfs/dbraw/zinc/32/19/88/140321988.db2.gz IFQSMYHTDFJCBU-LSDHHAIUSA-N 1 0 291.351 1.548 20 5 CDBDRO Cn1c(C(=O)N2CCC3(CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000261852783 140399160 /nfs/dbraw/zinc/39/91/60/140399160.db2.gz QPBNRORTNVTHRY-UHFFFAOYSA-N 1 0 292.339 1.149 20 5 CDBDRO CC[NH+](CC)CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000089205052 397673957 /nfs/dbraw/zinc/67/39/57/397673957.db2.gz JZVCMJHUPMTVSA-UHFFFAOYSA-N 1 0 291.311 1.751 20 5 CDBDRO Cc1ccnc(N(C)CC(C)(C)C[NH3+])c1[N+](=O)[O-] ZINC000093874758 147071928 /nfs/dbraw/zinc/07/19/28/147071928.db2.gz NUEROEYCBBWTGI-UHFFFAOYSA-N 1 0 252.318 1.719 20 5 CDBDRO C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094341597 147083178 /nfs/dbraw/zinc/08/31/78/147083178.db2.gz XHOJSXJWOFHAKM-QWRGUYRKSA-N 1 0 292.339 1.202 20 5 CDBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176240456 148031161 /nfs/dbraw/zinc/03/11/61/148031161.db2.gz XQDSIUAUDVHZIQ-NWDGAFQWSA-N 1 0 282.344 1.417 20 5 CDBDRO C[NH2+][C@H](C)Cc1noc(-c2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000261606806 148979784 /nfs/dbraw/zinc/97/97/84/148979784.db2.gz AHBUQYPXFXTNRX-MRVPVSSYSA-N 1 0 292.295 1.804 20 5 CDBDRO C[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000262591837 149079589 /nfs/dbraw/zinc/07/95/89/149079589.db2.gz WIKQWHHHQFZZTO-JTQLQIEISA-N 1 0 277.324 1.109 20 5 CDBDRO C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000305769028 149158206 /nfs/dbraw/zinc/15/82/06/149158206.db2.gz VSBNXKPUPPBVPH-BXUZGUMPSA-N 1 0 280.324 1.676 20 5 CDBDRO [NH3+]CC1CCC(CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000343640942 152254193 /nfs/dbraw/zinc/25/41/93/152254193.db2.gz MPUGVPWCPPBENT-UHFFFAOYSA-N 1 0 281.312 1.683 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C[NH+](C)C ZINC000346158696 153075912 /nfs/dbraw/zinc/07/59/12/153075912.db2.gz KYGAEZGRJIMQJK-SECBINFHSA-N 1 0 281.312 1.283 20 5 CDBDRO CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@@H](C)O ZINC000352209699 155026116 /nfs/dbraw/zinc/02/61/16/155026116.db2.gz CODIYACRQFPUOO-LLVKDONJSA-N 1 0 295.339 1.544 20 5 CDBDRO CC[N@H+](C[C@H](C)O)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000352230842 155043314 /nfs/dbraw/zinc/04/33/14/155043314.db2.gz MLBXSSDAYIXIAO-QWRGUYRKSA-N 1 0 295.339 1.625 20 5 CDBDRO Cc1c(CNC(=O)N[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000355529002 157101812 /nfs/dbraw/zinc/10/18/12/157101812.db2.gz SBZJNIKRLLNSNY-JTQLQIEISA-N 1 0 294.355 1.653 20 5 CDBDRO COCC1(C)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000358738960 158008952 /nfs/dbraw/zinc/00/89/52/158008952.db2.gz AKADUTZAUFLKPA-UHFFFAOYSA-N 1 0 282.344 1.540 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@H+](CCOC)C1 ZINC000359482714 158261741 /nfs/dbraw/zinc/26/17/41/158261741.db2.gz OKJMSMYXPZRYHA-NSHDSACASA-N 1 0 297.359 1.252 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)ccc1[N+](=O)[O-] ZINC000373053520 160168524 /nfs/dbraw/zinc/16/85/24/160168524.db2.gz FRVRWAXCYJIBPN-YPMHNXCESA-N 1 0 289.335 1.727 20 5 CDBDRO Cc1n[nH]c(CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000285384361 196268162 /nfs/dbraw/zinc/26/81/62/196268162.db2.gz WMYPTZGXDLBXSW-MRVPVSSYSA-N 1 0 290.327 1.497 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000038049889 174061129 /nfs/dbraw/zinc/06/11/29/174061129.db2.gz QFHLVLOVOJLQJS-VXGBXAGGSA-N 1 0 278.312 1.986 20 5 CDBDRO C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000038083129 174092851 /nfs/dbraw/zinc/09/28/51/174092851.db2.gz CADCGNUADFRKET-WDEREUQCSA-N 1 0 298.364 1.680 20 5 CDBDRO CCNC(=O)[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040676117 174373987 /nfs/dbraw/zinc/37/39/87/174373987.db2.gz HONPAPXINUSWCB-JTQLQIEISA-N 1 0 265.313 1.252 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1F ZINC000044501412 175185891 /nfs/dbraw/zinc/18/58/91/175185891.db2.gz LYCZTPYTKZHEJP-VIFPVBQESA-N 1 0 281.287 1.463 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000071148374 176044112 /nfs/dbraw/zinc/04/41/12/176044112.db2.gz ZAPKIPBWVLJVAH-QMMMGPOBSA-N 1 0 281.341 1.350 20 5 CDBDRO CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000071315669 176122192 /nfs/dbraw/zinc/12/21/92/176122192.db2.gz ZKVKMRDZFXZIRJ-CQSZACIVSA-N 1 0 291.351 1.738 20 5 CDBDRO Cc1cccc(C(=O)N[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000071397122 176150629 /nfs/dbraw/zinc/15/06/29/176150629.db2.gz MNIDIGMLCCMPJH-SNVBAGLBSA-N 1 0 263.297 1.385 20 5 CDBDRO Cc1cc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000394497892 261099361 /nfs/dbraw/zinc/09/93/61/261099361.db2.gz XNBLJEHWVDLEKY-BDAKNGLRSA-N 1 0 251.286 1.369 20 5 CDBDRO CC(C)Oc1nc(NCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000514614310 266017968 /nfs/dbraw/zinc/01/79/68/266017968.db2.gz IYCNOHMNDCYPLM-UHFFFAOYSA-N 1 0 268.317 1.172 20 5 CDBDRO CCOc1cccc(NC[C@H]2C[NH2+]CCN2C)c1[N+](=O)[O-] ZINC000394817343 270339198 /nfs/dbraw/zinc/33/91/98/270339198.db2.gz NVYWAIWRWDPZJU-LLVKDONJSA-N 1 0 294.355 1.309 20 5 CDBDRO C[NH2+]C[C@H](C)CNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000420185488 273966840 /nfs/dbraw/zinc/96/68/40/273966840.db2.gz BUNBCARGZFLARJ-VIFPVBQESA-N 1 0 295.339 1.957 20 5 CDBDRO COC[C@](C)([NH3+])CNc1ccc(F)cc1[N+](=O)[O-] ZINC000264994285 274052445 /nfs/dbraw/zinc/05/24/45/274052445.db2.gz CHOSUVFYQLMGKF-LLVKDONJSA-N 1 0 257.265 1.510 20 5 CDBDRO Cc1cc(N2CC[NH2+]C(C)(C)C2)ncc1[N+](=O)[O-] ZINC000212725129 274708359 /nfs/dbraw/zinc/70/83/59/274708359.db2.gz JKOCMNASGWZSGW-UHFFFAOYSA-N 1 0 250.302 1.486 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365363759 275012639 /nfs/dbraw/zinc/01/26/39/275012639.db2.gz WYSKUFOAQPUGMD-ZWNOBZJWSA-N 1 0 275.308 1.419 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(N3C[C@H]4C[NH2+]C[C@H]4C3)ccc2c1 ZINC000090323019 275039077 /nfs/dbraw/zinc/03/90/77/275039077.db2.gz UPBCUSLNRHYUEG-TXEJJXNPSA-N 1 0 284.319 1.799 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000111303630 276632084 /nfs/dbraw/zinc/63/20/84/276632084.db2.gz ODGUQLMJZIQMTC-VIFPVBQESA-N 1 0 251.286 1.370 20 5 CDBDRO C[C@@H](CS(C)(=O)=O)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000081900812 278292948 /nfs/dbraw/zinc/29/29/48/278292948.db2.gz GYXNHGNPFYDKDU-JTQLQIEISA-N 1 0 286.353 1.160 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000449592114 278310266 /nfs/dbraw/zinc/31/02/66/278310266.db2.gz NMFMFXPTGUFAEE-NXEZZACHSA-N 1 0 280.328 1.249 20 5 CDBDRO Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000235366270 278588498 /nfs/dbraw/zinc/58/84/98/278588498.db2.gz VDGJRHRUWSEYBI-LDYMZIIASA-N 1 0 263.297 1.322 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000237451384 280176063 /nfs/dbraw/zinc/17/60/63/280176063.db2.gz JDRKMWSXPOYPND-DNQSNQRASA-N 1 0 281.287 1.553 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2(CO)CC2)c(F)c1 ZINC000395940228 280694924 /nfs/dbraw/zinc/69/49/24/280694924.db2.gz JHGIDLQEFWYBFE-UHFFFAOYSA-N 1 0 268.288 1.986 20 5 CDBDRO CCc1ccc(C(=O)N(C)[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423948358 280766496 /nfs/dbraw/zinc/76/64/96/280766496.db2.gz LRJBZDHPMPJOBH-CQSZACIVSA-N 1 0 291.351 1.967 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000229098641 281013689 /nfs/dbraw/zinc/01/36/89/281013689.db2.gz ZFGJLGOHOUGJQT-ONGXEEELSA-N 1 0 264.329 1.719 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCCCC1 ZINC000517999973 281013980 /nfs/dbraw/zinc/01/39/80/281013980.db2.gz FIAVSSPSBPZKNA-UHFFFAOYSA-N 1 0 294.355 1.539 20 5 CDBDRO C[C@H]1OCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000149669061 289070081 /nfs/dbraw/zinc/07/00/81/289070081.db2.gz FWBBPNBECQEBGP-MFKMUULPSA-N 1 0 266.297 1.741 20 5 CDBDRO COc1cc(C[NH2+]C[C@@]2(C)CCCO2)c([N+](=O)[O-])cc1O ZINC000152936587 289151626 /nfs/dbraw/zinc/15/16/26/289151626.db2.gz AUYDJOPZLFOLSS-CQSZACIVSA-N 1 0 296.323 1.968 20 5 CDBDRO C[C@H](C(=O)N(C)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000347983153 289251065 /nfs/dbraw/zinc/25/10/65/289251065.db2.gz ANACDDGXQCTNEW-JTQLQIEISA-N 1 0 297.330 1.857 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000449295376 289747819 /nfs/dbraw/zinc/74/78/19/289747819.db2.gz RTVLIAUODPFKCK-UXIGCNINSA-N 1 0 294.351 1.655 20 5 CDBDRO C[C@@H]1C[NH+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)S1 ZINC000159852823 292771995 /nfs/dbraw/zinc/77/19/95/292771995.db2.gz LCPVSXATPDIPNL-GHMZBOCLSA-N 1 0 297.380 1.582 20 5 CDBDRO Cc1c(Br)c(=O)n(C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000564927780 293459062 /nfs/dbraw/zinc/45/90/62/293459062.db2.gz XNZNMSJCQDXGQY-YFKPBYRVSA-N 1 0 290.117 1.175 20 5 CDBDRO CC[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])OC ZINC000567709245 293848116 /nfs/dbraw/zinc/84/81/16/293848116.db2.gz OHBSJHNZUZSCLR-RYUDHWBXSA-N 1 0 298.339 1.349 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000089092029 295257556 /nfs/dbraw/zinc/25/75/56/295257556.db2.gz INZKWFMAWOACIV-JOYOIKCWSA-N 1 0 299.352 1.001 20 5 CDBDRO Cc1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000417942995 533696747 /nfs/dbraw/zinc/69/67/47/533696747.db2.gz AQTQVPDJAHQGHS-UHFFFAOYSA-N 1 0 274.324 1.969 20 5 CDBDRO Cc1nc(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC000577833973 317412271 /nfs/dbraw/zinc/41/22/71/317412271.db2.gz ZBZONIHICZVULD-NWDGAFQWSA-N 1 0 291.355 1.519 20 5 CDBDRO COc1cc(C(=O)N[C@H](C)[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000381527747 323628995 /nfs/dbraw/zinc/62/89/95/323628995.db2.gz ZMWFHRPHEFOJGL-JGVFFNPUSA-N 1 0 267.285 1.069 20 5 CDBDRO CC[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)OC ZINC000578741801 324009667 /nfs/dbraw/zinc/00/96/67/324009667.db2.gz FRVWNYCXRIGRKP-QWHCGFSZSA-N 1 0 298.339 1.349 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000582667417 325020602 /nfs/dbraw/zinc/02/06/02/325020602.db2.gz NQFYNGMFIGIPTK-UWVGGRQHSA-N 1 0 281.312 1.216 20 5 CDBDRO Cc1c(CNC(=O)N2CC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000418076669 533856006 /nfs/dbraw/zinc/85/60/06/533856006.db2.gz GXQMPLVYILFEBG-NSHDSACASA-N 1 0 278.312 1.146 20 5 CDBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(N)c1F)C[NH+](C)C ZINC000291685093 534091723 /nfs/dbraw/zinc/09/17/23/534091723.db2.gz FPQKLFPZJXNHBU-QMMMGPOBSA-N 1 0 270.308 1.926 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000236819211 519916616 /nfs/dbraw/zinc/91/66/16/519916616.db2.gz NGCPBSNAIYQJRL-UHFFFAOYSA-N 1 0 284.291 1.046 20 5 CDBDRO COc1cc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000234913161 522097680 /nfs/dbraw/zinc/09/76/80/522097680.db2.gz WFNRZDNYVBOFPE-WPRPVWTQSA-N 1 0 279.296 1.023 20 5 CDBDRO C[NH2+][C@@H]1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)C1 ZINC000227860848 522394665 /nfs/dbraw/zinc/39/46/65/522394665.db2.gz BBGZDPZVVVLSMI-MRVPVSSYSA-N 1 0 269.276 1.541 20 5 CDBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000157704586 523025131 /nfs/dbraw/zinc/02/51/31/523025131.db2.gz JSOTXEWDAFUKHA-JTQLQIEISA-N 1 0 295.343 1.312 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000161506118 523046555 /nfs/dbraw/zinc/04/65/55/523046555.db2.gz JMUYVUAKEIKWLN-JTQLQIEISA-N 1 0 292.339 1.343 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@@H+]1CCCOCC1 ZINC000340871244 523142989 /nfs/dbraw/zinc/14/29/89/523142989.db2.gz ONKBCWJGVQCCQM-UHFFFAOYSA-N 1 0 297.359 1.254 20 5 CDBDRO C[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000163603029 524453137 /nfs/dbraw/zinc/45/31/37/524453137.db2.gz YZJMPRBHGWPCHZ-DGCLKSJQSA-N 1 0 291.351 1.581 20 5 CDBDRO C[C@H]([NH3+])C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000226780393 524827595 /nfs/dbraw/zinc/82/75/95/524827595.db2.gz YRXCLSHIZUPLIX-ZETCQYMHSA-N 1 0 256.331 1.615 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC000237657116 524934231 /nfs/dbraw/zinc/93/42/31/524934231.db2.gz CVMGDZWUCVMLIL-UHFFFAOYSA-N 1 0 281.287 1.606 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000235180422 525011435 /nfs/dbraw/zinc/01/14/35/525011435.db2.gz ZAGMXZSWXHIPQS-HTQZYQBOSA-N 1 0 270.720 1.817 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000185171314 526262155 /nfs/dbraw/zinc/26/21/55/526262155.db2.gz RETUBBALKJXZKQ-XQQFMLRXSA-N 1 0 289.335 1.713 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000415497492 536451543 /nfs/dbraw/zinc/45/15/43/536451543.db2.gz HWBOTBBRJCIMIO-SECBINFHSA-N 1 0 280.328 1.880 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365374553 526908155 /nfs/dbraw/zinc/90/81/55/526908155.db2.gz MYYXXEISZHLOER-WPRPVWTQSA-N 1 0 281.337 1.480 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])C1CCCC1 ZINC000236256854 527204614 /nfs/dbraw/zinc/20/46/14/527204614.db2.gz DFNSJWGRGYWBRP-GFCCVEGCSA-N 1 0 295.314 1.981 20 5 CDBDRO COCCC[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1C ZINC000092657400 536512207 /nfs/dbraw/zinc/51/22/07/536512207.db2.gz MBQDBMDRUOPVEO-UHFFFAOYSA-N 1 0 282.344 1.678 20 5 CDBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)C(C)C ZINC000304287920 528741598 /nfs/dbraw/zinc/74/15/98/528741598.db2.gz BDRZBCSOXHMTKT-AAEUAGOBSA-N 1 0 284.360 1.519 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000414648837 535515325 /nfs/dbraw/zinc/51/53/25/535515325.db2.gz BNAMLXMKXMPYDS-SECBINFHSA-N 1 0 296.327 1.723 20 5 CDBDRO CN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000423943824 535977475 /nfs/dbraw/zinc/97/74/75/535977475.db2.gz GPHPQKXHGSOHCX-CQSZACIVSA-N 1 0 291.351 1.723 20 5 CDBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccc([N+](=O)[O-])s2)n1 ZINC000261878172 536346470 /nfs/dbraw/zinc/34/64/70/536346470.db2.gz VZGKQWMRGHVCGA-LURJTMIESA-N 1 0 268.298 1.857 20 5 CDBDRO CN(CC[NH3+])Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000420384318 536368696 /nfs/dbraw/zinc/36/86/96/536368696.db2.gz RMTSOUGUKQLQQY-UHFFFAOYSA-N 1 0 277.284 1.035 20 5 CDBDRO COCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000268450012 536879695 /nfs/dbraw/zinc/87/96/95/536879695.db2.gz FOVSRRYIZOWUFB-NSHDSACASA-N 1 0 280.328 1.431 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000191361944 536951338 /nfs/dbraw/zinc/95/13/38/536951338.db2.gz QSCLTBFRZLFKSR-SECBINFHSA-N 1 0 279.296 1.167 20 5 CDBDRO C[NH+]1CCC(ONC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000773548422 575823364 /nfs/dbraw/zinc/82/33/64/575823364.db2.gz BBRSLKGZJXUNTK-UHFFFAOYSA-N 1 0 293.323 1.279 20 5 CDBDRO C[C@@H]1C[C@H](O)C[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000761104819 576549207 /nfs/dbraw/zinc/54/92/07/576549207.db2.gz IFVVLRBACUTQTN-ICCXJUOJSA-N 1 0 266.297 1.083 20 5 CDBDRO COC[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749650084 576956785 /nfs/dbraw/zinc/95/67/85/576956785.db2.gz ZHBBJUZVTHFMLS-BXKDBHETSA-N 1 0 254.286 1.253 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000891344708 617441157 /nfs/dbraw/zinc/44/11/57/617441157.db2.gz AJMMJDGGPFGKME-UHFFFAOYSA-N 1 0 293.327 1.141 20 5 CDBDRO C[C@@H](CC[NH+](C)C)Nc1ccc2nonc2c1[N+](=O)[O-] ZINC000892084790 617472232 /nfs/dbraw/zinc/47/22/32/617472232.db2.gz DCJWKFYIHAQQLX-QMMMGPOBSA-N 1 0 279.300 1.883 20 5 CDBDRO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCC(C)C)C1 ZINC000950056169 614651408 /nfs/dbraw/zinc/65/14/08/614651408.db2.gz VPCAOEQBAORKEY-CHWSQXEVSA-N 1 0 283.372 1.230 20 5 CDBDRO C[C@H](Cc1cccnc1)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000934232794 617502222 /nfs/dbraw/zinc/50/22/22/617502222.db2.gz GYAYGVMKDUFSGO-LLVKDONJSA-N 1 0 275.312 1.407 20 5 CDBDRO Cc1ccc(CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000892306023 617733659 /nfs/dbraw/zinc/73/36/59/617733659.db2.gz RFBINVHHGMNIOV-CMPLNLGQSA-N 1 0 292.339 1.453 20 5 CDBDRO Cc1cc(N)nc(N(C)CCc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000893817637 618057018 /nfs/dbraw/zinc/05/70/18/618057018.db2.gz SDKGQYKMNCYMPG-UHFFFAOYSA-N 1 0 287.323 1.954 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNc2ccc3nonc3c2[N+](=O)[O-])C1 ZINC000892421189 618177095 /nfs/dbraw/zinc/17/70/95/618177095.db2.gz GAOJDYKOTALLEZ-VIFPVBQESA-N 1 0 291.311 1.885 20 5 CDBDRO C[C@H](NC(=O)C(C)(C)[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000927775411 618660424 /nfs/dbraw/zinc/66/04/24/618660424.db2.gz BEJMATGJIILMJR-QMMMGPOBSA-N 1 0 251.286 1.509 20 5 CDBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CC[NH2+]C2)cc1Cl ZINC000841045226 618678705 /nfs/dbraw/zinc/67/87/05/618678705.db2.gz PPKJYXGRGGIUJO-SECBINFHSA-N 1 0 255.705 1.700 20 5 CDBDRO COc1c(O)ccc(CNC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000894811925 619070988 /nfs/dbraw/zinc/07/09/88/619070988.db2.gz VWQHSDXPAXQZIA-UHFFFAOYSA-N 1 0 297.355 1.739 20 5 CDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1COCO1 ZINC000894879500 619116109 /nfs/dbraw/zinc/11/61/09/619116109.db2.gz YVFWJJPQBLLMKU-YPMHNXCESA-N 1 0 280.324 1.878 20 5 CDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN1C ZINC000928568213 619406756 /nfs/dbraw/zinc/40/67/56/619406756.db2.gz NRWSSDVRLDGAJU-NSHDSACASA-N 1 0 292.339 1.095 20 5 CDBDRO CO[C@@]1(C)CCCN(Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000794653153 619429225 /nfs/dbraw/zinc/42/92/25/619429225.db2.gz CCOXDINXDNXCQW-LBPRGKRZSA-N 1 0 268.317 1.558 20 5 CDBDRO C[C@H](Nc1c(F)cccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895247135 619492973 /nfs/dbraw/zinc/49/29/73/619492973.db2.gz TUDRQTSDXFYBAW-GXFFZTMASA-N 1 0 296.346 1.780 20 5 CDBDRO COc1ccc([C@H](C[NH2+]CC[N+](=O)[O-])N2CCCC2)cc1 ZINC000899858832 622486444 /nfs/dbraw/zinc/48/64/44/622486444.db2.gz CLGZWVUQUGOAQH-HNNXBMFYSA-N 1 0 293.367 1.698 20 5 CDBDRO O=[N+]([O-])CCNCCC[N@@H+]1CCc2ccccc2C1 ZINC000899869420 622495150 /nfs/dbraw/zinc/49/51/50/622495150.db2.gz FYKFGDPLLOPBGX-UHFFFAOYSA-N 1 0 263.341 1.301 20 5 CDBDRO C[C@@H]1C[C@H](c2nc(CCC(C)(C)[N+](=O)[O-])no2)CC[NH2+]1 ZINC000904721048 626335737 /nfs/dbraw/zinc/33/57/37/626335737.db2.gz JWKUIMQUAYIZAI-NXEZZACHSA-N 1 0 282.344 1.913 20 5 CDBDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+]CC[N+](=O)[O-] ZINC000905033924 626376681 /nfs/dbraw/zinc/37/66/81/626376681.db2.gz GJWVONYAFAIXKO-UHFFFAOYSA-N 1 0 288.351 1.980 20 5 CDBDRO CC(=O)Nc1ccc(CC[NH2+]CC[N+](=O)[O-])cc1 ZINC000905098857 626619574 /nfs/dbraw/zinc/61/95/74/626619574.db2.gz XATPQXSUIPYPQX-UHFFFAOYSA-N 1 0 251.286 1.054 20 5 CDBDRO C[NH+](C)C[C@H](O)CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000914684184 631544929 /nfs/dbraw/zinc/54/49/29/631544929.db2.gz LYRGYUNKTXKTDK-SNVBAGLBSA-N 1 0 290.323 1.477 20 5 CDBDRO C[N@@H+]1CCC[C@H]1Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000917082907 632144484 /nfs/dbraw/zinc/14/44/84/632144484.db2.gz YBQPNAYKFNIUAP-QMMMGPOBSA-N 1 0 271.704 1.504 20 5 CDBDRO COc1ccc(C[C@H](C)N[C@@H]2C[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC001170306465 1162339384 /nfs/dbraw/zinc/33/93/84/1162339384.db2.gz VNUAAAIAJFUMMI-XXILOJSOSA-N 1 0 265.313 1.224 20 5 CDBDRO COc1ccc(C[C@H](C)N2CCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001170309697 1162339680 /nfs/dbraw/zinc/33/96/80/1162339680.db2.gz RMJISMUNEUUQSM-AAEUAGOBSA-N 1 0 293.367 1.958 20 5 CDBDRO [NH3+]CCN(c1cccnc1)c1ncc(F)cc1[N+](=O)[O-] ZINC001158000901 1162671365 /nfs/dbraw/zinc/67/13/65/1162671365.db2.gz WNIMXKLOKKFSFN-UHFFFAOYSA-N 1 0 277.259 1.621 20 5 CDBDRO C[C@@H](Nc1cc([N+](=O)[O-])c2nccn2c1)[C@H]1C[NH2+]CCO1 ZINC001170568385 1162946539 /nfs/dbraw/zinc/94/65/39/1162946539.db2.gz OCTGVDQCUURKPM-BXKDBHETSA-N 1 0 291.311 1.031 20 5 CDBDRO CCOc1cc(N[C@H](C)[C@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC001170570417 1162955941 /nfs/dbraw/zinc/95/59/41/1162955941.db2.gz BXDKPAABIDDYAJ-QMTHXVAHSA-N 1 0 295.339 1.782 20 5 CDBDRO C[C@H](Nc1ccc(N(C)C)cc1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001170576252 1162992774 /nfs/dbraw/zinc/99/27/74/1162992774.db2.gz ZOHGRWGAGQLIRD-HZMBPMFUSA-N 1 0 294.355 1.450 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1nc(=S)[nH]c2c1CCC2 ZINC001226301330 1160154602 /nfs/dbraw/zinc/15/46/02/1160154602.db2.gz XXKWGKPPKPZFDY-VIFPVBQESA-O 1 0 268.406 1.728 20 5 CDBDRO [NH3+]Cc1cnn(-c2ncnc3cc(F)c([N+](=O)[O-])cc32)c1 ZINC001168257063 1160562852 /nfs/dbraw/zinc/56/28/52/1160562852.db2.gz MSOYHOHBMRKDQB-UHFFFAOYSA-N 1 0 288.242 1.322 20 5 CDBDRO NC(=O)C1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCCCCC1 ZINC001168967574 1161996141 /nfs/dbraw/zinc/99/61/41/1161996141.db2.gz QYKLSYULCLZQRJ-NWDGAFQWSA-N 1 0 283.372 1.600 20 5 CDBDRO O=C(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)NCc1ccccc1 ZINC001168967936 1161996183 /nfs/dbraw/zinc/99/61/83/1161996183.db2.gz UVCMRXXILRBHFG-KGLIPLIRSA-N 1 0 291.351 1.338 20 5 CDBDRO COC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168998482 1161996747 /nfs/dbraw/zinc/99/67/47/1161996747.db2.gz NMYPWLZMEFFVOI-VOAKCMCISA-N 1 0 284.356 1.753 20 5 CDBDRO COC(=O)Cc1ccc(NCC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001170890394 1164191111 /nfs/dbraw/zinc/19/11/11/1164191111.db2.gz KCCOFVKESAFUNZ-SECBINFHSA-N 1 0 281.312 1.460 20 5 CDBDRO CC(C)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867941867 1164885400 /nfs/dbraw/zinc/88/54/00/1164885400.db2.gz KQAKPFNAEKPXNK-LBPRGKRZSA-N 1 0 251.286 1.293 20 5 CDBDRO C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CO1 ZINC001356610928 1167508400 /nfs/dbraw/zinc/50/84/00/1167508400.db2.gz XPEUXVPFUSHGBZ-MNOVXSKESA-N 1 0 293.323 1.690 20 5 CDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC001575509699 1171188475 /nfs/dbraw/zinc/18/84/75/1171188475.db2.gz AYYMTTMYJCGDAA-ZDUSSCGKSA-N 1 0 295.314 1.804 20 5 CDBDRO Cc1ccc(C(=O)N2CC3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC001579660626 1172235615 /nfs/dbraw/zinc/23/56/15/1172235615.db2.gz FWQSJBPEBXWEAZ-UHFFFAOYSA-N 1 0 289.335 1.729 20 5 CDBDRO Cc1ccc(NC[C@@]2(C)C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC001579723683 1172248991 /nfs/dbraw/zinc/24/89/91/1172248991.db2.gz IFOFOHMNDSVVFY-CYBMUJFWSA-N 1 0 265.313 1.694 20 5 CDBDRO [NH3+]C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC001580332991 1172408039 /nfs/dbraw/zinc/40/80/39/1172408039.db2.gz FHBKRSNKNGDHQG-ZKCHVHJHSA-N 1 0 283.715 1.715 20 5 CDBDRO O=C(NC[C@@H]1CC[NH2+]1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001580658029 1172501066 /nfs/dbraw/zinc/50/10/66/1172501066.db2.gz HNBJTCNDUMQRCM-LBPRGKRZSA-N 1 0 289.335 1.495 20 5 CDBDRO O=C(Oc1cccc([N+](=O)[O-])c1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC001580804491 1172545021 /nfs/dbraw/zinc/54/50/21/1172545021.db2.gz SGWUTCZDXZNVLM-OCCSQVGLSA-N 1 0 276.292 1.890 20 5 CDBDRO COc1nc(N2C[C@H](C)[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001164635695 719169454 /nfs/dbraw/zinc/16/94/54/719169454.db2.gz LGVHDMBTJXGVLT-VHSXEESVSA-N 1 0 280.328 1.527 20 5 CDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)n2)[C@@H](C)C[N@@H+]1C ZINC001164634805 719213055 /nfs/dbraw/zinc/21/30/55/719213055.db2.gz HBDODGNNLLUGEC-BDAKNGLRSA-N 1 0 265.317 1.101 20 5 CDBDRO O=C(NCC1=CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000169283068 736392015 /nfs/dbraw/zinc/39/20/15/736392015.db2.gz VRGNZKWERPTEHP-UHFFFAOYSA-N 1 0 295.726 1.898 20 5 CDBDRO CCc1[nH]nc(C(=O)OCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000800211446 736481478 /nfs/dbraw/zinc/48/14/78/736481478.db2.gz AXNZZWDYIHIJDZ-UHFFFAOYSA-N 1 0 296.327 1.523 20 5 CDBDRO C[C@H]1CCCN1C(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867943330 736545501 /nfs/dbraw/zinc/54/55/01/736545501.db2.gz RSFQQBJTRPZZRN-HZMBPMFUSA-N 1 0 277.324 1.780 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000839192621 736618049 /nfs/dbraw/zinc/61/80/49/736618049.db2.gz LPPJXSXYVZAWGV-SNPRPXQTSA-N 1 0 292.335 1.739 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000882490242 738440728 /nfs/dbraw/zinc/44/07/28/738440728.db2.gz LKDONPAJZWAHOC-SNVBAGLBSA-N 1 0 279.296 1.124 20 5 CDBDRO [NH2+]=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC1 ZINC000849007583 738447305 /nfs/dbraw/zinc/44/73/05/738447305.db2.gz YQSWZJRQEAIHDP-UHFFFAOYSA-N 1 0 264.285 1.204 20 5 CDBDRO C[C@@H]1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235389713 736647926 /nfs/dbraw/zinc/64/79/26/736647926.db2.gz IDBLXIDDPJHRCW-NXEZZACHSA-N 1 0 263.297 1.921 20 5 CDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877168989 736663386 /nfs/dbraw/zinc/66/33/86/736663386.db2.gz BPIQCFSQLVHGEV-BSBRIBSZSA-N 1 0 287.319 1.571 20 5 CDBDRO COCC[C@H](CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000311281903 736663613 /nfs/dbraw/zinc/66/36/13/736663613.db2.gz LZXLPKZOROIRSW-LLVKDONJSA-N 1 0 288.731 1.735 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819059953 736728846 /nfs/dbraw/zinc/72/88/46/736728846.db2.gz JGFAEQPIMGZECP-BXUZGUMPSA-N 1 0 281.356 1.558 20 5 CDBDRO C[C@@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000049558605 736820933 /nfs/dbraw/zinc/82/09/33/736820933.db2.gz FBISJEPVTMYJCN-QMMMGPOBSA-N 1 0 279.300 1.883 20 5 CDBDRO O=[N+]([O-])CCN[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000930195840 736847188 /nfs/dbraw/zinc/84/71/88/736847188.db2.gz UHBNFYPAOXHOPS-AWEZNQCLSA-N 1 0 263.341 1.690 20 5 CDBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1O ZINC000879142658 736814610 /nfs/dbraw/zinc/81/46/10/736814610.db2.gz ZODIYXWODLNROO-RBSFLKMASA-N 1 0 294.351 1.864 20 5 CDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000843452441 736932252 /nfs/dbraw/zinc/93/22/52/736932252.db2.gz QKXJPBDKZGIWEB-SSDOTTSWSA-N 1 0 296.283 1.136 20 5 CDBDRO C[C@]1(c2nc(-c3ccc([N+](=O)[O-])s3)no2)CC[NH2+]C1 ZINC000843218701 737042635 /nfs/dbraw/zinc/04/26/35/737042635.db2.gz CLKNNWGKXXSBEW-NSHDSACASA-N 1 0 280.309 1.957 20 5 CDBDRO CN(C(=O)CN1C[C@@H]2C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000886340701 737085052 /nfs/dbraw/zinc/08/50/52/737085052.db2.gz JVUDLKLXEKYAMG-PHIMTYICSA-N 1 0 275.308 1.509 20 5 CDBDRO C[NH2+]C[C@@H](C)c1noc(-c2cc([N+](=O)[O-])cn2C)n1 ZINC000842577875 737089095 /nfs/dbraw/zinc/08/90/95/737089095.db2.gz XRVYOSICAMFVHG-SSDOTTSWSA-N 1 0 265.273 1.306 20 5 CDBDRO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000261605285 737095892 /nfs/dbraw/zinc/09/58/92/737095892.db2.gz RHKSUHKZRGLXTJ-HQJQHLMTSA-N 1 0 267.260 1.296 20 5 CDBDRO C[N@H+](CCCCCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000789343714 737097356 /nfs/dbraw/zinc/09/73/56/737097356.db2.gz ZNRWBUNUHDENSM-CQSZACIVSA-N 1 0 282.340 1.723 20 5 CDBDRO CC[N@H+](CCC(=O)NC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933863686 738482576 /nfs/dbraw/zinc/48/25/76/738482576.db2.gz GPVGGOWMINJOJE-ZDUSSCGKSA-N 1 0 295.339 1.086 20 5 CDBDRO CC(C)C[C@@H](O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000226105920 737304102 /nfs/dbraw/zinc/30/41/02/737304102.db2.gz OKFJISPIEYMMEW-ZIAGYGMSSA-N 1 0 282.340 1.625 20 5 CDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H](C)[C@H](C)[NH3+])n2)n1C ZINC000823093241 737446834 /nfs/dbraw/zinc/44/68/34/737446834.db2.gz BPOVGHGBLDROGO-WDSKDSINSA-N 1 0 280.288 1.137 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCOC[C@H]1O ZINC000872140318 737526380 /nfs/dbraw/zinc/52/63/80/737526380.db2.gz JJPNTXJIOPSAOW-YRGRVCCFSA-N 1 0 278.308 1.322 20 5 CDBDRO CSc1ccc(C(=O)N(C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000704249792 737639314 /nfs/dbraw/zinc/63/93/14/737639314.db2.gz OUYVIEXPKVMSRJ-MRVPVSSYSA-N 1 0 283.353 1.736 20 5 CDBDRO Cc1c(C[NH2+]C[C@H]2COCCO2)cccc1[N+](=O)[O-] ZINC000037999913 738499273 /nfs/dbraw/zinc/49/92/73/738499273.db2.gz ZTFGJGFRXTTYKM-LBPRGKRZSA-N 1 0 266.297 1.408 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000877174609 737780244 /nfs/dbraw/zinc/78/02/44/737780244.db2.gz GZALCDBUTSWEIN-RKDXNWHRSA-N 1 0 297.286 1.061 20 5 CDBDRO CC[C@@H](C)[N@H+](CCO)Cc1cccnc1[N+](=O)[O-] ZINC000886206364 737853240 /nfs/dbraw/zinc/85/32/40/737853240.db2.gz RBGXCNWYGUXRLS-SNVBAGLBSA-N 1 0 253.302 1.583 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923411926 738071345 /nfs/dbraw/zinc/07/13/45/738071345.db2.gz GBWWKAKJNVFJBZ-XWIASGKRSA-N 1 0 265.313 1.050 20 5 CDBDRO CC[NH+]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865397828 738093667 /nfs/dbraw/zinc/09/36/67/738093667.db2.gz MLDJAEAMHLOCKX-UHFFFAOYSA-N 1 0 283.303 1.368 20 5 CDBDRO Cc1nc(N2CCC([C@@H](C)[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000124121485 738273454 /nfs/dbraw/zinc/27/34/54/738273454.db2.gz WWPHLNLFTOESAB-SECBINFHSA-N 1 0 264.329 1.862 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CSCC[NH2+]2)n1 ZINC000882729190 738166770 /nfs/dbraw/zinc/16/67/70/738166770.db2.gz VHSVALWDMNKJGH-VIFPVBQESA-N 1 0 268.342 1.415 20 5 CDBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839685822 738578755 /nfs/dbraw/zinc/57/87/55/738578755.db2.gz YWPLCKIMLVUFTA-IJLUTSLNSA-N 1 0 269.345 1.032 20 5 CDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000129588031 738730787 /nfs/dbraw/zinc/73/07/87/738730787.db2.gz IDNKVKHMPGLBQW-RWMBFGLXSA-N 1 0 280.324 1.377 20 5 CDBDRO C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000070078611 738783408 /nfs/dbraw/zinc/78/34/08/738783408.db2.gz LRHWYGZEDCYMMX-NXEZZACHSA-N 1 0 267.304 1.916 20 5 CDBDRO CC(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001019903736 738876606 /nfs/dbraw/zinc/87/66/06/738876606.db2.gz OHVFAGNRORYCLD-MGCOHNPYSA-N 1 0 269.326 1.413 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H](CO)C1CCC1 ZINC000886274661 739067411 /nfs/dbraw/zinc/06/74/11/739067411.db2.gz YGIANHAAPWNGHP-LLVKDONJSA-N 1 0 251.286 1.240 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCCC[C@H]2CCO)cc1 ZINC000250256362 739153940 /nfs/dbraw/zinc/15/39/40/739153940.db2.gz QQOSCEATMZWJIW-DZGCQCFKSA-N 1 0 294.351 1.865 20 5 CDBDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](CC[N+](=O)[O-])CC[C@@H]21 ZINC000930553863 738901921 /nfs/dbraw/zinc/90/19/21/738901921.db2.gz YQKHXERLZQUOJP-RYUDHWBXSA-N 1 0 299.371 1.594 20 5 CDBDRO CC(C)OC(=O)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818943560 736426397 /nfs/dbraw/zinc/42/63/97/736426397.db2.gz VNAHZHGSQNBMAM-CYBMUJFWSA-N 1 0 296.323 1.560 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)CCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815582961 736468836 /nfs/dbraw/zinc/46/88/36/736468836.db2.gz TYQMEDRGSYOBPB-DTWKUNHWSA-N 1 0 253.302 1.599 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000885953757 736561320 /nfs/dbraw/zinc/56/13/20/736561320.db2.gz FGYQKPSOESZXEM-LLVKDONJSA-N 1 0 277.324 1.991 20 5 CDBDRO [NH3+]C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CCCO1 ZINC000313361871 736974219 /nfs/dbraw/zinc/97/42/19/736974219.db2.gz XXDUCHSCKWRMTQ-GFCCVEGCSA-N 1 0 283.303 1.284 20 5 CDBDRO C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815614921 737023108 /nfs/dbraw/zinc/02/31/08/737023108.db2.gz DKZAIRUBNLTPPU-GUBZILKMSA-N 1 0 267.329 1.987 20 5 CDBDRO Cc1ccc(-c2noc(C3(C[NH3+])CC3)n2)cc1[N+](=O)[O-] ZINC000843179092 737074725 /nfs/dbraw/zinc/07/47/25/737074725.db2.gz UWARPVCCTXUECC-UHFFFAOYSA-N 1 0 274.280 1.944 20 5 CDBDRO CN(CCc1ccccc1[N+](=O)[O-])CN1CCCC1=O ZINC000795644294 737079209 /nfs/dbraw/zinc/07/92/09/737079209.db2.gz MEIXOFQUFFJCOV-UHFFFAOYSA-N 1 0 277.324 1.649 20 5 CDBDRO CC1(C)C[NH2+]C[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000884139981 737107759 /nfs/dbraw/zinc/10/77/59/737107759.db2.gz HKTBMOGOYWWQQW-NSHDSACASA-N 1 0 289.335 1.730 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC000884276701 737226859 /nfs/dbraw/zinc/22/68/59/737226859.db2.gz XYNUGRWVBBUVJX-TXEJJXNPSA-N 1 0 289.335 1.503 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700600051 737309115 /nfs/dbraw/zinc/30/91/15/737309115.db2.gz MMDWQWAPXOISCE-ZCFIWIBFSA-N 1 0 257.677 1.325 20 5 CDBDRO COC[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000126724249 737333952 /nfs/dbraw/zinc/33/39/52/737333952.db2.gz OUPKSZADVHGXEC-ZIAGYGMSSA-N 1 0 282.340 1.889 20 5 CDBDRO [NH3+]CCCCc1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000843192692 737523472 /nfs/dbraw/zinc/52/34/72/737523472.db2.gz XCSHVQWHVFOQKT-UHFFFAOYSA-N 1 0 277.284 1.245 20 5 CDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000715098085 737588865 /nfs/dbraw/zinc/58/88/65/737588865.db2.gz YJRKJCNWQCHYPQ-OCAPTIKFSA-N 1 0 267.260 1.201 20 5 CDBDRO [NH3+][C@H]1C[C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000715110902 737764337 /nfs/dbraw/zinc/76/43/37/737764337.db2.gz VWFCASDEUQFZAM-LJGSYFOKSA-N 1 0 255.299 1.123 20 5 CDBDRO CC(C)[C@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000843147964 737826407 /nfs/dbraw/zinc/82/64/07/737826407.db2.gz JWNPQYUFFAXCGP-QMMMGPOBSA-N 1 0 251.246 1.629 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582999 737903870 /nfs/dbraw/zinc/90/38/70/737903870.db2.gz YICZTZLTXMAAET-CABCVRRESA-N 1 0 293.367 1.654 20 5 CDBDRO CC(C)OCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819226558 737927512 /nfs/dbraw/zinc/92/75/12/737927512.db2.gz UIBBKVGZWNCILZ-CYBMUJFWSA-N 1 0 268.313 1.643 20 5 CDBDRO COC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776583124 737968546 /nfs/dbraw/zinc/96/85/46/737968546.db2.gz XCBPVRKSEDJGJA-SWLSCSKDSA-N 1 0 294.351 1.987 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@@H]2CCC[NH2+]CC2)c1[N+](=O)[O-] ZINC000843470415 738325584 /nfs/dbraw/zinc/32/55/84/738325584.db2.gz FOUVOGUBFJCTIC-LLVKDONJSA-N 1 0 295.314 1.914 20 5 CDBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000886303619 738355577 /nfs/dbraw/zinc/35/55/77/738355577.db2.gz AYHFICRNHAKSAE-VXGBXAGGSA-N 1 0 265.313 1.725 20 5 CDBDRO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000858580044 738396488 /nfs/dbraw/zinc/39/64/88/738396488.db2.gz VVWZTJIKFRIUDV-MNOVXSKESA-N 1 0 295.339 1.962 20 5 CDBDRO C[C@H]1C[C@@H](N(C)Cc2cccnc2[N+](=O)[O-])CC[N@@H+]1C ZINC000886032562 739001425 /nfs/dbraw/zinc/00/14/25/739001425.db2.gz JCRQZXCNWZTOFX-AAEUAGOBSA-N 1 0 278.356 1.904 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424021608 739051111 /nfs/dbraw/zinc/05/11/11/739051111.db2.gz BRJMZGOABAQBLS-OAHLLOKOSA-N 1 0 289.335 1.492 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCOC2CCC2)c1 ZINC000819119884 739060987 /nfs/dbraw/zinc/06/09/87/739060987.db2.gz FVYBXPYHFOHUGK-AWEZNQCLSA-N 1 0 280.324 1.787 20 5 CDBDRO C[N@H+](CCO)CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000884825393 739115183 /nfs/dbraw/zinc/11/51/83/739115183.db2.gz USOBQLNWTXWRLU-UHFFFAOYSA-N 1 0 290.323 1.479 20 5 CDBDRO C[C@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000823270852 739221143 /nfs/dbraw/zinc/22/11/43/739221143.db2.gz VZOVLWBBWNDIKJ-RQJHMYQMSA-N 1 0 264.241 1.703 20 5 CDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1C[NH2+]C1 ZINC000261932154 739223571 /nfs/dbraw/zinc/22/35/71/739223571.db2.gz LFYFYTZNEIUOQQ-SECBINFHSA-N 1 0 295.364 1.411 20 5 CDBDRO [NH3+][C@H]1COC[C@H]1Nc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001155345940 1167136091 /nfs/dbraw/zinc/13/60/91/1167136091.db2.gz PHQGGLZECQUQFM-GXSJLCMTSA-N 1 0 274.280 1.281 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)cc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001155542056 1167223043 /nfs/dbraw/zinc/22/30/43/1167223043.db2.gz YZQQDTMBGPADGO-RDDDGLTNSA-N 1 0 284.703 1.186 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](O)C[C@H]1C ZINC001173225259 912313487 /nfs/dbraw/zinc/31/34/87/912313487.db2.gz JCESUBRVLGZMMD-GYSYKLTISA-N 1 0 264.325 1.981 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)CF ZINC001173228914 912319408 /nfs/dbraw/zinc/31/94/08/912319408.db2.gz LHEFRTJONCDLJB-CABZTGNLSA-N 1 0 256.277 1.446 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CNC(=O)O1 ZINC001173229688 912322192 /nfs/dbraw/zinc/32/21/92/912322192.db2.gz OXQBTUDAOIZFPK-BXKDBHETSA-N 1 0 279.296 1.224 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(O)CC1 ZINC001173210634 912330510 /nfs/dbraw/zinc/33/05/10/912330510.db2.gz MFQZMSZHFIUUDY-JTQLQIEISA-N 1 0 250.298 1.640 20 5 CDBDRO CCN(CC[NH3+])C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001122087607 913435261 /nfs/dbraw/zinc/43/52/61/913435261.db2.gz OGWSJZKNQSGXET-STQMWFEESA-N 1 0 277.324 1.506 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OCC[NH+](C)C ZINC001206278413 914205249 /nfs/dbraw/zinc/20/52/49/914205249.db2.gz OIDHZIRKHOULKI-SECBINFHSA-N 1 0 256.306 1.066 20 5 CDBDRO C[C@@H](NC(=O)[C@H]([NH3+])CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000312443384 899842463 /nfs/dbraw/zinc/84/24/63/899842463.db2.gz WCJSFNZHEXTVIQ-NOZJJQNGSA-N 1 0 277.324 1.899 20 5 CDBDRO CN(C)c1ccc(-n2cc(C[NH3+])cn2)c([N+](=O)[O-])c1 ZINC001168258950 908007466 /nfs/dbraw/zinc/00/74/66/908007466.db2.gz GBMBVBWLJXQFLD-UHFFFAOYSA-N 1 0 261.285 1.305 20 5 CDBDRO CC(C)[NH+]1CC(Nc2cccc3ncc([N+](=O)[O-])n32)C1 ZINC001168317422 908997266 /nfs/dbraw/zinc/99/72/66/908997266.db2.gz KTRIFVBWDWYYQP-UHFFFAOYSA-N 1 0 275.312 1.747 20 5 CDBDRO COC(=O)[C@@H](OCC[N+](C)(C)C)c1ccccc1F ZINC001224773133 910672913 /nfs/dbraw/zinc/67/29/13/910672913.db2.gz FBTDLBUJCHVPRT-ZDUSSCGKSA-N 1 0 270.324 1.763 20 5 CDBDRO CC(C)OCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001124431894 936316283 /nfs/dbraw/zinc/31/62/83/936316283.db2.gz AMDYUVAZIORMCN-UHFFFAOYSA-N 1 0 295.339 1.226 20 5 CDBDRO CCC1(Nc2ccc3ncc([N+](=O)[O-])n3c2)C[NH2+]C1 ZINC001168584211 919298005 /nfs/dbraw/zinc/29/80/05/919298005.db2.gz ZPRLFAQJUGRFFY-UHFFFAOYSA-N 1 0 261.285 1.406 20 5 CDBDRO C[C@H](CCCO)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843118045 919640562 /nfs/dbraw/zinc/64/05/62/919640562.db2.gz ZNLLHJDINWVPPI-BXUZGUMPSA-N 1 0 282.340 1.626 20 5 CDBDRO CC(C)(C)c1cnc(-n2cnc(C[NH3+])c2)c([N+](=O)[O-])c1 ZINC001162296214 922184867 /nfs/dbraw/zinc/18/48/67/922184867.db2.gz AWEJPXDSWHPGQY-UHFFFAOYSA-N 1 0 275.312 1.932 20 5 CDBDRO C[N@@H+]1CCC[C@@]2(CCN(Cn3nccc3[N+](=O)[O-])C2)C1 ZINC000840085199 936937268 /nfs/dbraw/zinc/93/72/68/936937268.db2.gz BPHVVQNZGQWFFI-CYBMUJFWSA-N 1 0 279.344 1.167 20 5 CDBDRO COc1cc(C)c([N+](=O)[O-])cc1N1CC[C@H]([NH3+])C1 ZINC001164281693 924749595 /nfs/dbraw/zinc/74/95/95/924749595.db2.gz KMDZVDNWDYKQSS-VIFPVBQESA-N 1 0 251.286 1.449 20 5 CDBDRO C[NH2+]CCN(C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000081588898 925393495 /nfs/dbraw/zinc/39/34/95/925393495.db2.gz ZXRQIGYCEDPGEU-UHFFFAOYSA-N 1 0 261.285 1.194 20 5 CDBDRO C[NH+](C)CC(C)(C)CNc1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001168768346 925782931 /nfs/dbraw/zinc/78/29/31/925782931.db2.gz UKRIEZFHPXZHHO-UHFFFAOYSA-N 1 0 268.317 1.228 20 5 CDBDRO Nc1ncc([N+](=O)[O-])cc1-c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000842637337 937066707 /nfs/dbraw/zinc/06/67/07/937066707.db2.gz YYYNRMLDPKENPL-QMMMGPOBSA-N 1 0 276.256 1.047 20 5 CDBDRO Cc1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)c(N)c([N+](=O)[O-])c1 ZINC000842640808 937067451 /nfs/dbraw/zinc/06/74/51/937067451.db2.gz LOBWGLROBVXHSE-VIFPVBQESA-N 1 0 289.295 1.960 20 5 CDBDRO [NH3+]Cc1ccc2ncn(-c3ccc([N+](=O)[O-])cn3)c2c1 ZINC001168838646 927483356 /nfs/dbraw/zinc/48/33/56/927483356.db2.gz LCZKQCIEQCFULX-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO [NH3+]Cc1ccc2c(n1)N([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CCC2 ZINC001168979253 927569037 /nfs/dbraw/zinc/56/90/37/927569037.db2.gz XVJONHHWGNNROZ-BXUZGUMPSA-N 1 0 290.367 1.738 20 5 CDBDRO CC(C)[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)N1CCCC1 ZINC001168984920 927573157 /nfs/dbraw/zinc/57/31/57/927573157.db2.gz RFELXKVNUWDKGP-MCIONIFRSA-N 1 0 297.399 1.668 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2[C@@H]3C[C@@H]4C[C@H]2C[C@](O)(C3)C4)C1 ZINC001168955504 927576868 /nfs/dbraw/zinc/57/68/68/927576868.db2.gz BBJZPTGJSREUKB-YXIOUMEFSA-N 1 0 294.395 1.961 20 5 CDBDRO C[C@](O)(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168956831 927578346 /nfs/dbraw/zinc/57/83/46/927578346.db2.gz FVCUOMFNOMQOFG-SNPRPXQTSA-N 1 0 278.352 1.929 20 5 CDBDRO CCN1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168957858 927579251 /nfs/dbraw/zinc/57/92/51/927579251.db2.gz JTFYIJXURAZPEF-UPJWGTAASA-N 1 0 255.362 1.506 20 5 CDBDRO C[C@@]1(O)CC[C@@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168960606 927580424 /nfs/dbraw/zinc/58/04/24/927580424.db2.gz FSDDBPPQPJNWCH-FVCCEPFGSA-N 1 0 256.346 1.715 20 5 CDBDRO Cc1ccc(C[NH3+])nc1N(C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168963219 927584303 /nfs/dbraw/zinc/58/43/03/927584303.db2.gz OTOOUYJEWAYDJY-WCQYABFASA-N 1 0 278.356 1.730 20 5 CDBDRO O=C(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)NC1CCCC1 ZINC001168965646 927589149 /nfs/dbraw/zinc/58/91/49/927589149.db2.gz BOGGUUZLGCQWKL-JQWIXIFHSA-N 1 0 269.345 1.080 20 5 CDBDRO COc1ncccc1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168966280 927589456 /nfs/dbraw/zinc/58/94/56/927589456.db2.gz HJRWLTOMPBWNJP-CMPLNLGQSA-N 1 0 265.313 1.625 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCN2CCCCCC2)C1 ZINC001168968132 927590963 /nfs/dbraw/zinc/59/09/63/927590963.db2.gz WKIIKBRFVFDUAI-ZIAGYGMSSA-N 1 0 269.389 1.897 20 5 CDBDRO COc1cncc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168994112 927600278 /nfs/dbraw/zinc/60/02/78/927600278.db2.gz PJMZTBGLLADJIU-CMPLNLGQSA-N 1 0 265.313 1.625 20 5 CDBDRO COC(=O)CCCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168992045 927600294 /nfs/dbraw/zinc/60/02/94/927600294.db2.gz JDTZKOVGACNJSF-MNOVXSKESA-N 1 0 258.318 1.365 20 5 CDBDRO [NH3+]CCCc1nccn1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007616 927610841 /nfs/dbraw/zinc/61/08/41/927610841.db2.gz OQTGUCKAELVGOV-MNOVXSKESA-N 1 0 252.318 1.392 20 5 CDBDRO C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006382 927611359 /nfs/dbraw/zinc/61/13/59/927611359.db2.gz HGFONNCCKCABHS-VOAKCMCISA-N 1 0 255.362 1.362 20 5 CDBDRO COC(=O)[C@H]1CCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169010331 927615220 /nfs/dbraw/zinc/61/52/20/927615220.db2.gz CUBVCLZXQSELHT-GMTAPVOTSA-N 1 0 256.302 1.069 20 5 CDBDRO COC(=O)[C@@]1(C)CCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011973 927617474 /nfs/dbraw/zinc/61/74/74/927617474.db2.gz OCHAYBXDCCZFEC-NQBHXWOUSA-N 1 0 270.329 1.459 20 5 CDBDRO Cc1nc2c(n1[C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC[NH2+]CC2 ZINC001169014446 927619895 /nfs/dbraw/zinc/61/98/95/927619895.db2.gz ZWIYVVUXGVDOOI-NEPJUHHUSA-N 1 0 278.356 1.498 20 5 CDBDRO CC[N@H+](CCCC(=O)OC)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169013368 927620765 /nfs/dbraw/zinc/62/07/65/927620765.db2.gz UJTCDPMGEDUEHY-RYUDHWBXSA-N 1 0 272.345 1.707 20 5 CDBDRO C[NH2+]Cc1c(C)nn([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1C ZINC001169035055 927640706 /nfs/dbraw/zinc/64/07/06/927640706.db2.gz ACIITLMRAZYYBC-NEPJUHHUSA-N 1 0 266.345 1.837 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCc3ncsc3C2)C1 ZINC001169033307 927642215 /nfs/dbraw/zinc/64/22/15/927642215.db2.gz BSXMGTCTBLXWOB-ZJUUUORDSA-N 1 0 267.354 1.947 20 5 CDBDRO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H](C)N1C ZINC001169038418 927650298 /nfs/dbraw/zinc/65/02/98/927650298.db2.gz YSNZHVISCVJGSO-YVECIDJPSA-N 1 0 255.362 1.456 20 5 CDBDRO O=C1CCC[C@]2(CCC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)N1 ZINC001169018252 927656873 /nfs/dbraw/zinc/65/68/73/927656873.db2.gz AEFMDYNVZAUEAD-GZBFAFLISA-N 1 0 295.383 1.567 20 5 CDBDRO CCCCN1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169024440 927663051 /nfs/dbraw/zinc/66/30/51/927663051.db2.gz HDIHJXRJXLXOCA-UONOGXRCSA-N 1 0 269.389 1.850 20 5 CDBDRO O=C1NCC[C@]12CCC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169023506 927664140 /nfs/dbraw/zinc/66/41/40/927664140.db2.gz VBSVFVVGQJCIND-OBJOEFQTSA-N 1 0 281.356 1.034 20 5 CDBDRO C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]1CCC2(C1)OCCO2 ZINC001169050030 927669807 /nfs/dbraw/zinc/66/98/07/927669807.db2.gz YCJIUPPXDBLUNY-YNEHKIRRSA-N 1 0 284.356 1.659 20 5 CDBDRO CCNC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169051288 927669938 /nfs/dbraw/zinc/66/99/38/927669938.db2.gz CRWKRDRHJJTBMR-WOPDTQHZSA-N 1 0 269.345 1.032 20 5 CDBDRO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC12CC2 ZINC001169057834 927675820 /nfs/dbraw/zinc/67/58/20/927675820.db2.gz XYCLAFQJPMHUCN-TUAOUCFPSA-N 1 0 282.340 1.317 20 5 CDBDRO CC[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000776596480 927793593 /nfs/dbraw/zinc/79/35/93/927793593.db2.gz FCCCCJNHJNSEDF-LERXQTSPSA-N 1 0 280.324 1.331 20 5 CDBDRO C[C@H]([NH3+])c1ccn(-c2ncnc(Cl)c2[N+](=O)[O-])n1 ZINC001169227989 927826367 /nfs/dbraw/zinc/82/63/67/927826367.db2.gz JVDDNNGSBZEMLI-YFKPBYRVSA-N 1 0 268.664 1.244 20 5 CDBDRO C[C@H]([NH3+])c1ccn(-c2cccc3ncc([N+](=O)[O-])n32)n1 ZINC001169233731 927847859 /nfs/dbraw/zinc/84/78/59/927847859.db2.gz CLHRUIUXYZSCJO-QMMMGPOBSA-N 1 0 272.268 1.448 20 5 CDBDRO COc1cc(N2CC[C@H]([N@H+](C)C(C)C)C2)ncc1[N+](=O)[O-] ZINC001157010811 929105086 /nfs/dbraw/zinc/10/50/86/929105086.db2.gz SPYAVQGXUHFOJJ-NSHDSACASA-N 1 0 294.355 1.917 20 5 CDBDRO CN(c1nc(Cl)ccc1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC001170058709 929231588 /nfs/dbraw/zinc/23/15/88/929231588.db2.gz BILFYORGYZWJFF-UHFFFAOYSA-N 1 0 258.709 1.817 20 5 CDBDRO C[C@H]([NH3+])CN(C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000863653109 929585266 /nfs/dbraw/zinc/58/52/66/929585266.db2.gz CCVVLDYASKVNAJ-QMMMGPOBSA-N 1 0 289.282 1.975 20 5 CDBDRO Cc1c(N[C@H]2C[NH2+]C[C@H]2CO)cc(F)cc1[N+](=O)[O-] ZINC001170774211 929924215 /nfs/dbraw/zinc/92/42/15/929924215.db2.gz AKJDWVMGGGILPR-KWQFWETISA-N 1 0 269.276 1.035 20 5 CDBDRO COc1cc(C[NH2+][C@H](CO)C2CC2)c([N+](=O)[O-])cc1OC ZINC000883002650 930121752 /nfs/dbraw/zinc/12/17/52/930121752.db2.gz LIVFQIYHBCWLOY-LLVKDONJSA-N 1 0 296.323 1.473 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CC1(C[NH3+])CC1)CC2 ZINC000817999776 930650794 /nfs/dbraw/zinc/65/07/94/930650794.db2.gz WZWNYNNQWHPDOY-UHFFFAOYSA-N 1 0 289.335 1.921 20 5 CDBDRO Cn1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819129820 930765810 /nfs/dbraw/zinc/76/58/10/930765810.db2.gz PGIFSZGGGKLXGG-CQSZACIVSA-N 1 0 275.308 1.757 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000886837354 930970900 /nfs/dbraw/zinc/97/09/00/930970900.db2.gz FSBFNGIMRZTZIT-CQSZACIVSA-N 1 0 299.334 1.531 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1-c1nc(C[C@H](C)[NH2+]C)no1 ZINC001118237561 937606594 /nfs/dbraw/zinc/60/65/94/937606594.db2.gz COEPQBRRVKALJV-QMMMGPOBSA-N 1 0 291.311 1.837 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1NC[C@H]1CCCC[NH2+]1 ZINC001171334366 932744348 /nfs/dbraw/zinc/74/43/48/932744348.db2.gz LXAUETCKQQTPRG-SECBINFHSA-N 1 0 266.301 1.552 20 5 CDBDRO Cc1nc(NC[C@H]2C[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC001155095270 937633654 /nfs/dbraw/zinc/63/36/54/937633654.db2.gz LILFBVLKTCBSOU-PSASIEDQSA-N 1 0 250.302 1.708 20 5 CDBDRO CCCN(CCC)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001155189330 937647000 /nfs/dbraw/zinc/64/70/00/937647000.db2.gz JZFINSWVGSCDRW-UHFFFAOYSA-N 1 0 279.344 1.698 20 5 CDBDRO Cc1nc(N(CCC[NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC001156118467 938321460 /nfs/dbraw/zinc/32/14/60/938321460.db2.gz LRBBRJQZLOBAGX-UHFFFAOYSA-N 1 0 252.318 1.862 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(-n2ccc3cc(C[NH3+])cnc32)n1 ZINC001156594423 938390861 /nfs/dbraw/zinc/39/08/61/938390861.db2.gz GYMAPZQYOVRVIU-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(NC(=N)SCC[NH3+])nc1Cl ZINC001157128497 938457348 /nfs/dbraw/zinc/45/73/48/938457348.db2.gz PFCWZKRSDZNUIU-UHFFFAOYSA-N 1 0 289.748 1.990 20 5 CDBDRO N=C(Nc1cc([N+](=O)[O-])c2cc[nH]c2n1)SCC[NH3+] ZINC001157128997 938457905 /nfs/dbraw/zinc/45/79/05/938457905.db2.gz GCTRNCDBJXCBBC-UHFFFAOYSA-N 1 0 280.313 1.510 20 5 CDBDRO CCOC(=O)CN(CCC[NH3+])c1ncc(C)cc1[N+](=O)[O-] ZINC001157544314 938507567 /nfs/dbraw/zinc/50/75/67/938507567.db2.gz JUUQVLPCCZZMDJ-UHFFFAOYSA-N 1 0 296.327 1.017 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ccnc1N1C[C@@H]2C[NH2+][C@@H]2C1 ZINC001157619668 938521254 /nfs/dbraw/zinc/52/12/54/938521254.db2.gz FNOPUCQAGSHWPF-POYBYMJQSA-N 1 0 254.677 1.051 20 5 CDBDRO CCC[NH+]1C[C@H]2CN(c3ccc([N+](=O)[O-])c(N)n3)C[C@@H]2C1 ZINC001157691323 938532452 /nfs/dbraw/zinc/53/24/52/938532452.db2.gz IJQYLZVDDPOSNE-QWRGUYRKSA-N 1 0 291.355 1.350 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([NH3+])[C@H]1C ZINC001157731888 938537535 /nfs/dbraw/zinc/53/75/35/938537535.db2.gz GHCHTBFZTBYODM-LDYMZIIASA-N 1 0 294.311 1.092 20 5 CDBDRO Cc1nc(N2CCC[C@H]([NH3+])[C@H]2C)ncc1[N+](=O)[O-] ZINC001157748603 938540288 /nfs/dbraw/zinc/54/02/88/938540288.db2.gz VXYDZJYTVXWQAY-BDAKNGLRSA-N 1 0 251.290 1.009 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(N2CC[C@@](F)(C[NH3+])C2)nc1Cl ZINC001157812350 938549936 /nfs/dbraw/zinc/54/99/36/938549936.db2.gz ADEIWXMCGPEOOX-LLVKDONJSA-N 1 0 288.710 1.829 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001158128380 938585555 /nfs/dbraw/zinc/58/55/55/938585555.db2.gz CGHAYUCVVNGHIB-UHFFFAOYSA-N 1 0 298.306 1.533 20 5 CDBDRO Cc1cnc(C[NH3+])n1-c1nccc(Cl)c1[N+](=O)[O-] ZINC001158162991 938588553 /nfs/dbraw/zinc/58/85/53/938588553.db2.gz LWNNPQJYYXLNNJ-UHFFFAOYSA-N 1 0 267.676 1.596 20 5 CDBDRO C[NH+]1CC2(CN(c3cc(Cl)cc([N+](=O)[O-])n3)C2)C1 ZINC001158864651 938672728 /nfs/dbraw/zinc/67/27/28/938672728.db2.gz WPPBVTCFCFMSBP-UHFFFAOYSA-N 1 0 268.704 1.395 20 5 CDBDRO Cc1cc(Cl)nc(N2CC[NH2+]C3(CC3)C2)c1[N+](=O)[O-] ZINC001158936873 938680739 /nfs/dbraw/zinc/68/07/39/938680739.db2.gz UPYXEZPKNJPOJU-UHFFFAOYSA-N 1 0 282.731 1.894 20 5 CDBDRO C[C@H](Nc1nccc(Cl)c1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001159489734 938732048 /nfs/dbraw/zinc/73/20/48/938732048.db2.gz RBDKFCQRVUIMCN-IONNQARKSA-N 1 0 286.719 1.432 20 5 CDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1NCC[C@@H](C)[NH3+] ZINC001159773190 938751496 /nfs/dbraw/zinc/75/14/96/938751496.db2.gz XDYVGGXKWYLJJN-MRVPVSSYSA-N 1 0 282.300 1.316 20 5 CDBDRO CC(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160090657 938768684 /nfs/dbraw/zinc/76/86/84/938768684.db2.gz LDWZNWGUZUEEKW-ZIAGYGMSSA-N 1 0 295.383 1.446 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])Nc1nc(Cl)ncc1[N+](=O)[O-] ZINC001160912863 938842362 /nfs/dbraw/zinc/84/23/62/938842362.db2.gz WIVXFLYBZZABEW-ZETCQYMHSA-N 1 0 273.724 1.824 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NCCCC[NH+](C)C ZINC001161726234 938926561 /nfs/dbraw/zinc/92/65/61/938926561.db2.gz YDRLGBJXQRJTJQ-UHFFFAOYSA-N 1 0 268.317 1.752 20 5 CDBDRO COC(=O)c1ccc(C[NH3+])n1-c1ncc([N+](=O)[O-])cc1F ZINC001161933827 938944436 /nfs/dbraw/zinc/94/44/36/938944436.db2.gz DDQNQIOMFTUOMJ-UHFFFAOYSA-N 1 0 294.242 1.165 20 5 CDBDRO COc1nc(N[C@]2(C)CCC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC001162330760 939025498 /nfs/dbraw/zinc/02/54/98/939025498.db2.gz IWTUDMQUKQZZJN-GFCCVEGCSA-N 1 0 281.316 1.290 20 5 CDBDRO COc1ncc([N+](=O)[O-])c(NC[C@@H]2CCC[NH2+]C[C@@H]2C)n1 ZINC001162456286 939059264 /nfs/dbraw/zinc/05/92/64/939059264.db2.gz WCZPPJXWQBCCIQ-UWVGGRQHSA-N 1 0 295.343 1.441 20 5 CDBDRO COC(=O)c1cc(NC[C@@H]2C[C@H](F)C[NH2+]2)cc([N+](=O)[O-])c1 ZINC001162478172 939065195 /nfs/dbraw/zinc/06/51/95/939065195.db2.gz XBFWYGJKEGPDCI-ONGXEEELSA-N 1 0 297.286 1.493 20 5 CDBDRO O=[N+]([O-])c1c(F)cc(F)cc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163141770 939212158 /nfs/dbraw/zinc/21/21/58/939212158.db2.gz WUFOHUFUDSXBMA-AVPPRXQKSA-N 1 0 285.250 1.272 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)nc1 ZINC001163307188 939243475 /nfs/dbraw/zinc/24/34/75/939243475.db2.gz WPRFJGRPXBWTHL-ZWNOBZJWSA-N 1 0 278.312 1.313 20 5 CDBDRO Cc1nnc(C[NH3+])n1-c1nc2ccccc2cc1[N+](=O)[O-] ZINC001163348860 939254058 /nfs/dbraw/zinc/25/40/58/939254058.db2.gz XIOKIKFAARRILC-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO COc1cnc(N(C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001163595296 939291357 /nfs/dbraw/zinc/29/13/57/939291357.db2.gz DYEIIAMOWIMHRF-UHFFFAOYSA-N 1 0 268.317 1.386 20 5 CDBDRO Cc1nc(Cl)nc(N2C[C@@H](C)CC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC001164062653 939403317 /nfs/dbraw/zinc/40/33/17/939403317.db2.gz MRXKJSCHHWEBFO-IONNQARKSA-N 1 0 299.762 1.910 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(-n2ncc3c2CC[NH2+]C3)n1 ZINC001165218973 939526325 /nfs/dbraw/zinc/52/63/25/939526325.db2.gz UEUAFCJZPKLWRE-UHFFFAOYSA-N 1 0 294.702 1.178 20 5 CDBDRO [NH3+]C1CC2(C1)CCN(c1ncc(F)cc1[N+](=O)[O-])CC2 ZINC001165244282 939532221 /nfs/dbraw/zinc/53/22/21/939532221.db2.gz YAFPWNGSFJKTJU-UHFFFAOYSA-N 1 0 280.303 1.837 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001165387375 939556228 /nfs/dbraw/zinc/55/62/28/939556228.db2.gz MEVYOOYDSFTZOD-WCBMZHEXSA-N 1 0 268.704 1.584 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001165388700 939556827 /nfs/dbraw/zinc/55/68/27/939556827.db2.gz CTPYEDDLCOMBHZ-IONNQARKSA-N 1 0 268.704 1.584 20 5 CDBDRO COc1cc(C)nc(N2CCC[C@@H]3[NH2+]C[C@H]32)c1[N+](=O)[O-] ZINC001165393812 939557872 /nfs/dbraw/zinc/55/78/72/939557872.db2.gz UPSAOKPOYOFLQH-VHSXEESVSA-N 1 0 278.312 1.247 20 5 CDBDRO Nc1cc(N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)ncc1[N+](=O)[O-] ZINC001165434291 939564963 /nfs/dbraw/zinc/56/49/63/939564963.db2.gz RFEANCKZUBPXIA-RKDXNWHRSA-N 1 0 295.318 1.085 20 5 CDBDRO C[NH2+]Cc1cccc(Nc2ncc([N+](=O)[O-])c(OC)n2)c1 ZINC001167032736 939673696 /nfs/dbraw/zinc/67/36/96/939673696.db2.gz MCXFRBDUZFHBDH-UHFFFAOYSA-N 1 0 289.295 1.856 20 5 CDBDRO Cc1cccc(C)c1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001222826144 941636484 /nfs/dbraw/zinc/63/64/84/941636484.db2.gz REXWMJLVKXDFND-CQSZACIVSA-N 1 0 280.388 1.804 20 5 CDBDRO CCc1ccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001222843964 941637301 /nfs/dbraw/zinc/63/73/01/941637301.db2.gz HSQORSSTXCRFHX-OAHLLOKOSA-N 1 0 280.388 1.749 20 5 CDBDRO COC(=O)c1cc(CO[C@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001223689431 941691204 /nfs/dbraw/zinc/69/12/04/941691204.db2.gz ZWKSBPMVSBGMCS-ZDUSSCGKSA-N 1 0 294.307 1.602 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCc1cc(=O)n2ccccc2n1 ZINC001224260695 941735929 /nfs/dbraw/zinc/73/59/29/941735929.db2.gz DBMGAWDADMSDES-GFCCVEGCSA-N 1 0 276.360 1.306 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2nccc(C)c2[N+](=O)[O-])C1 ZINC001226115624 941953102 /nfs/dbraw/zinc/95/31/02/941953102.db2.gz GFVYUPVTGSQRJO-JTQLQIEISA-N 1 0 251.286 1.771 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ncn(-c2ccccc2)n1 ZINC001226197065 941965662 /nfs/dbraw/zinc/96/56/62/941965662.db2.gz WCQVQYJVFIASEP-GFCCVEGCSA-N 1 0 261.349 1.741 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](Oc2cc(OC)c([N+](=O)[O-])cn2)C1 ZINC001226581063 942030034 /nfs/dbraw/zinc/03/00/34/942030034.db2.gz KEAQRHRTWCPWQQ-SNVBAGLBSA-N 1 0 281.312 1.862 20 5 CDBDRO Cc1ccc(OC[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC001226951649 942101741 /nfs/dbraw/zinc/10/17/41/942101741.db2.gz COZVKNBKBPOUMP-LBPRGKRZSA-N 1 0 266.297 1.613 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc(C(F)(F)F)nc1 ZINC001227960912 942248816 /nfs/dbraw/zinc/24/88/16/942248816.db2.gz BWIBOVVSUDEIHW-QMMMGPOBSA-N 1 0 264.271 1.969 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1c(Br)ccnc1N ZINC001228757843 942371912 /nfs/dbraw/zinc/37/19/12/942371912.db2.gz XEVLGEMYKYBWIO-MRVPVSSYSA-N 1 0 289.197 1.900 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2cccc([N+](=O)[O-])c2C(=O)OC)C1 ZINC001229044412 942412086 /nfs/dbraw/zinc/41/20/86/942412086.db2.gz HBQNSQGSQLIIOX-JTQLQIEISA-N 1 0 294.307 1.854 20 5 CDBDRO CC(C)[NH+]1CCC(Oc2cc[n+]([O-])cc2[N+](=O)[O-])CC1 ZINC001229452329 942476924 /nfs/dbraw/zinc/47/69/24/942476924.db2.gz PTHQSQXYUNIFSR-UHFFFAOYSA-N 1 0 281.312 1.480 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2c1CCNC2=O ZINC001229521425 942487564 /nfs/dbraw/zinc/48/75/64/942487564.db2.gz FYGITFSBZLBFGM-NSHDSACASA-O 1 0 263.361 1.446 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C(N)=O)c(F)c1 ZINC001229893624 942549094 /nfs/dbraw/zinc/54/90/94/942549094.db2.gz XFHKABSSLSWHQX-SECBINFHSA-O 1 0 255.313 1.398 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(F)c2F)C1 ZINC001233764153 943651755 /nfs/dbraw/zinc/65/17/55/943651755.db2.gz YQUNJDCTRBXGLZ-SSDOTTSWSA-N 1 0 258.224 1.956 20 5 CDBDRO COC(=O)c1cnc(O[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001233863515 943675820 /nfs/dbraw/zinc/67/58/20/943675820.db2.gz XDGJIUIVURLGGD-MRVPVSSYSA-N 1 0 283.284 1.105 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(C)(C)C(N)=O ZINC001254541173 947518198 /nfs/dbraw/zinc/51/81/98/947518198.db2.gz YYPREUFDBYLMMC-SECBINFHSA-N 1 0 265.313 1.379 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCOC[C@H](O)C1 ZINC001254552404 947520000 /nfs/dbraw/zinc/52/00/00/947520000.db2.gz LHLWOYVOVHBEKV-DGCLKSJQSA-N 1 0 280.324 1.219 20 5 CDBDRO CCN(CC)CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254568470 947530352 /nfs/dbraw/zinc/53/03/52/947530352.db2.gz ULBKFXXIJJCOLN-CQSZACIVSA-N 1 0 277.368 1.993 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCN1CCCC1)C2 ZINC001254571259 947531551 /nfs/dbraw/zinc/53/15/51/947531551.db2.gz RJMUZTGSZBWBDS-AWEZNQCLSA-N 1 0 275.352 1.747 20 5 CDBDRO C[C@@]1(O)C[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254573481 947533266 /nfs/dbraw/zinc/53/32/66/947533266.db2.gz AHILLSUZJSXUBJ-BZPMIXESSA-N 1 0 262.309 1.565 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCOC1)C2 ZINC001254576383 947534613 /nfs/dbraw/zinc/53/46/13/947534613.db2.gz WCFJAZZSSSTUJJ-ZWNOBZJWSA-N 1 0 262.309 1.688 20 5 CDBDRO Cc1nc(CC[NH3+])nn1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254575097 947535129 /nfs/dbraw/zinc/53/51/29/947535129.db2.gz NWRZPSRQLQJTLI-ZDUSSCGKSA-N 1 0 287.323 1.336 20 5 CDBDRO CC[C@H](C)[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254575187 947535765 /nfs/dbraw/zinc/53/57/65/947535765.db2.gz PJJYFBHLKWBTGA-WFBYXXMGSA-N 1 0 291.351 1.552 20 5 CDBDRO C[C@@]1(CO)CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254599703 947550019 /nfs/dbraw/zinc/55/00/19/947550019.db2.gz PCLKEYCFSJAWHD-HUUCEWRRSA-N 1 0 276.336 1.766 20 5 CDBDRO CCOC(=O)[C@H](N)C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001246417930 948164921 /nfs/dbraw/zinc/16/49/21/948164921.db2.gz QRLZSVLCKHRHGB-ZWNOBZJWSA-N 1 0 295.339 1.006 20 5 CDBDRO CC[NH2+]CCCc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001249077261 949363279 /nfs/dbraw/zinc/36/32/79/949363279.db2.gz ZUNLCCSVBIUMOR-UHFFFAOYSA-N 1 0 295.274 1.721 20 5 CDBDRO Cc1cc(Cc2noc(C3(C)C[NH2+]C3)n2)ccc1[N+](=O)[O-] ZINC001326124481 954223819 /nfs/dbraw/zinc/22/38/19/954223819.db2.gz XNKDLQIBLZSMPY-UHFFFAOYSA-N 1 0 288.307 1.738 20 5 CDBDRO CN(C)Cc1nnc(-c2ccc([N+](=O)[O-])s2)o1 ZINC001328434014 955292988 /nfs/dbraw/zinc/29/29/88/955292988.db2.gz RFVQYUOQGUYVRQ-UHFFFAOYSA-N 1 0 254.271 1.768 20 5 CDBDRO O=c1c([N+](=O)[O-])cc(Cl)cn1C[C@@H]1CCC[NH2+]C1 ZINC001329274327 955789958 /nfs/dbraw/zinc/78/99/58/955789958.db2.gz YZGAKUONBXWVPA-MRVPVSSYSA-N 1 0 271.704 1.410 20 5 CDBDRO NC(=O)c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC001308326963 956517607 /nfs/dbraw/zinc/51/76/07/956517607.db2.gz FABHIVFQKRBJNT-UHFFFAOYSA-N 1 0 286.291 1.379 20 5 CDBDRO COc1ccc(C[NH2+]CC2(C)OCCO2)cc1[N+](=O)[O-] ZINC001308333815 956517692 /nfs/dbraw/zinc/51/76/92/956517692.db2.gz QRQILLXWEZNQMP-UHFFFAOYSA-N 1 0 282.296 1.456 20 5 CDBDRO CC(C)(C)[NH2+]CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001331189187 956876594 /nfs/dbraw/zinc/87/65/94/956876594.db2.gz MVSSYEMZNPJPHR-UHFFFAOYSA-N 1 0 266.301 1.504 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001334076663 958814075 /nfs/dbraw/zinc/81/40/75/958814075.db2.gz VRMPXKVDAUUVTI-VIFPVBQESA-N 1 0 296.302 1.807 20 5 CDBDRO CON(C)C(=O)CC[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC001335344444 959730352 /nfs/dbraw/zinc/73/03/52/959730352.db2.gz CUFNBVFXNCUUMV-UHFFFAOYSA-N 1 0 296.327 1.006 20 5 CDBDRO O=[N+]([O-])CC[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC001335632984 959942774 /nfs/dbraw/zinc/94/27/74/959942774.db2.gz OTLBKWRFFXVPAW-UHFFFAOYSA-N 1 0 258.709 1.450 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001336906702 960726334 /nfs/dbraw/zinc/72/63/34/960726334.db2.gz GJKBGGSIUFPDAE-VHSXEESVSA-N 1 0 280.328 1.563 20 5 CDBDRO CN(C)[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001338406609 961782579 /nfs/dbraw/zinc/78/25/79/961782579.db2.gz BJNZXSVCCQXXER-CABCVRRESA-N 1 0 293.367 1.558 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC001339037953 962130645 /nfs/dbraw/zinc/13/06/45/962130645.db2.gz PVPFSANUVNYQDH-SECBINFHSA-N 1 0 267.285 1.402 20 5 CDBDRO Nc1cc(N2CCC[N@@H+]3CCC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001339560642 962423164 /nfs/dbraw/zinc/42/31/64/962423164.db2.gz ZTYXOWYAUVMTMX-SNVBAGLBSA-N 1 0 277.328 1.247 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(C[NH2+]C3)CC2)c1 ZINC001340692150 963071357 /nfs/dbraw/zinc/07/13/57/963071357.db2.gz PCBODHCPWDNWSI-UHFFFAOYSA-N 1 0 289.335 1.729 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001341158858 963301784 /nfs/dbraw/zinc/30/17/84/963301784.db2.gz QIEIUUPPUFWYRH-NWDGAFQWSA-N 1 0 289.335 1.585 20 5 CDBDRO Cc1cc(NC(=O)NC[C@H](C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001345489814 964721197 /nfs/dbraw/zinc/72/11/97/964721197.db2.gz TZJHYCIMUXFBIO-JTQLQIEISA-N 1 0 280.328 1.975 20 5 CDBDRO CC[C@]1(c2nc(-c3ccc([N+](=O)[O-])o3)no2)CC[NH2+]C1 ZINC001345957973 964871641 /nfs/dbraw/zinc/87/16/41/964871641.db2.gz QYJVLJXVZDKPAZ-LBPRGKRZSA-N 1 0 278.268 1.879 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001346057749 964903279 /nfs/dbraw/zinc/90/32/79/964903279.db2.gz RSGVCDZFEPZWEI-SWHYSGLUSA-N 1 0 291.351 1.813 20 5 CDBDRO Cc1c(C[NH2+]CCN2CCOC[C@@H]2C)cccc1[N+](=O)[O-] ZINC001349586884 966395016 /nfs/dbraw/zinc/39/50/16/966395016.db2.gz VEOCASWJRLBNDN-LBPRGKRZSA-N 1 0 293.367 1.714 20 5 CDBDRO Cc1nn(C[N@@H+]2CC[C@H](CF)C2)c2ncc([N+](=O)[O-])cc12 ZINC001353200202 967770519 /nfs/dbraw/zinc/77/05/19/967770519.db2.gz ZQDUEEDAIJQAAH-SNVBAGLBSA-N 1 0 293.302 1.897 20 5 CDBDRO C[C@H]([NH3+])CN(C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001353248886 967819692 /nfs/dbraw/zinc/81/96/92/967819692.db2.gz VNNPZHLOAISDDT-UWVGGRQHSA-N 1 0 280.328 1.644 20 5 CDBDRO CO[C@@H](C)[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001353340349 967911608 /nfs/dbraw/zinc/91/16/08/967911608.db2.gz RIQZVZDPKFEEPM-SDDRHHMPSA-N 1 0 298.339 1.348 20 5 CDBDRO CC(C)CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001200472595 968287978 /nfs/dbraw/zinc/28/79/78/968287978.db2.gz ROBNONWFIBOLKI-CHWSQXEVSA-N 1 0 283.372 1.278 20 5 CDBDRO C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001356581495 969436783 /nfs/dbraw/zinc/43/67/83/969436783.db2.gz ARUOPYCGXPLHLE-DOMZBBRYSA-N 1 0 293.367 1.560 20 5 CDBDRO CC1(C)CN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC001576452837 1171425210 /nfs/dbraw/zinc/42/52/10/1171425210.db2.gz GVJWBXNFZCSBIW-LBPRGKRZSA-N 1 0 292.339 1.474 20 5 CDBDRO O=C(NCCC[NH+]1CCCCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000054373499 342480846 /nfs/dbraw/zinc/48/08/46/342480846.db2.gz AJJXRLQVNJPHQS-UHFFFAOYSA-N 1 0 294.355 1.919 20 5 CDBDRO COc1ccc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000320183446 341993317 /nfs/dbraw/zinc/99/33/17/341993317.db2.gz ZEWIBUQJGOVXIY-RKDXNWHRSA-N 1 0 281.312 1.459 20 5 CDBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC[C@H](O)C2)s1 ZINC000599198985 343979092 /nfs/dbraw/zinc/97/90/92/343979092.db2.gz DSQJLXISBQDDLN-QMMMGPOBSA-N 1 0 257.315 1.135 20 5 CDBDRO Cc1ccc(NCC[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000599200106 343979715 /nfs/dbraw/zinc/97/97/15/343979715.db2.gz WTHGBIPUSGGOLC-NSHDSACASA-N 1 0 265.313 1.382 20 5 CDBDRO CC(C)[NH2+][C@@H]1CCCN(c2cccnc2[N+](=O)[O-])C1 ZINC000608778934 342037207 /nfs/dbraw/zinc/03/72/07/342037207.db2.gz LZTZYHHDGCNEFB-LLVKDONJSA-N 1 0 264.329 1.957 20 5 CDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000590569799 342576960 /nfs/dbraw/zinc/57/69/60/342576960.db2.gz SNNXFZWSYVWJRP-DTWKUNHWSA-N 1 0 295.368 1.833 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)n1 ZINC000590719166 342585905 /nfs/dbraw/zinc/58/59/05/342585905.db2.gz ZVLRXPKDEZFQTR-PWSUYJOCSA-N 1 0 262.313 1.439 20 5 CDBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])cn1C)C(C)C ZINC000608839642 342077244 /nfs/dbraw/zinc/07/72/44/342077244.db2.gz OPJJBHGJHWGTPS-UHFFFAOYSA-N 1 0 282.344 1.393 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCN2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000591448935 342632942 /nfs/dbraw/zinc/63/29/42/342632942.db2.gz QXBPKGONTZGKGB-DOMZBBRYSA-N 1 0 291.351 1.657 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)CCC[NH3+] ZINC000591679358 342641736 /nfs/dbraw/zinc/64/17/36/342641736.db2.gz RIWOCODWDLWLHU-UHFFFAOYSA-N 1 0 281.312 1.414 20 5 CDBDRO COc1ccc(NC(=O)[C@@H]2[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000591686537 342643266 /nfs/dbraw/zinc/64/32/66/342643266.db2.gz TYZUTZBCTBCEAC-NSHDSACASA-N 1 0 279.296 1.540 20 5 CDBDRO C[C@@H]1CC2(C[N@@H+]1CCn1cc([N+](=O)[O-])cn1)CCOCC2 ZINC000592184331 342679843 /nfs/dbraw/zinc/67/98/43/342679843.db2.gz OEHQWLKJHHIRKB-GFCCVEGCSA-N 1 0 294.355 1.682 20 5 CDBDRO CNc1ccc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000592319739 342684632 /nfs/dbraw/zinc/68/46/32/342684632.db2.gz USBTZYXHKIXHMR-KOLCDFICSA-N 1 0 292.339 1.446 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000592475185 342698885 /nfs/dbraw/zinc/69/88/85/342698885.db2.gz ASDCTNRRKHDESA-BXUZGUMPSA-N 1 0 295.339 1.022 20 5 CDBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000588766224 342221140 /nfs/dbraw/zinc/22/11/40/342221140.db2.gz VRIVKUQUPPTMKM-UHFFFAOYSA-N 1 0 295.343 1.266 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1COCCN1)CCC2 ZINC000600707691 342243256 /nfs/dbraw/zinc/24/32/56/342243256.db2.gz ACVNCAAGWGEEPX-SWLSCSKDSA-N 1 0 291.351 1.550 20 5 CDBDRO C[C@H]([NH2+]C[C@@H]1COCCN1)c1cccc([N+](=O)[O-])c1 ZINC000600712230 342243798 /nfs/dbraw/zinc/24/37/98/342243798.db2.gz VCUKMKAEWPNIKE-CMPLNLGQSA-N 1 0 265.313 1.234 20 5 CDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H](O)C1CC1 ZINC000079768022 342232775 /nfs/dbraw/zinc/23/27/75/342232775.db2.gz MHRWQIDGALHEQH-AWEZNQCLSA-N 1 0 280.324 1.676 20 5 CDBDRO COc1cc(CN(C)CC(C)(C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000594734894 342949829 /nfs/dbraw/zinc/94/98/29/342949829.db2.gz GHOYXJBXJNOZQA-UHFFFAOYSA-N 1 0 297.355 1.781 20 5 CDBDRO Cc1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000312107984 362004780 /nfs/dbraw/zinc/00/47/80/362004780.db2.gz KZMTUNXTHSRXMJ-RYUDHWBXSA-N 1 0 261.325 1.949 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCOCCO ZINC000595002945 342995326 /nfs/dbraw/zinc/99/53/26/342995326.db2.gz CBSOGHSGUJRACF-JTQLQIEISA-N 1 0 284.312 1.263 20 5 CDBDRO Cc1cc(N2CCC[N@@H+](C)CC2)ncc1[N+](=O)[O-] ZINC000074725113 342303509 /nfs/dbraw/zinc/30/35/09/342303509.db2.gz DEMPOQLTJKWBBL-UHFFFAOYSA-N 1 0 250.302 1.440 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H]1CC[NH3+] ZINC000404276446 349769876 /nfs/dbraw/zinc/76/98/76/349769876.db2.gz BAQQQTYIBKQDNR-CMPLNLGQSA-N 1 0 294.355 1.523 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000382471742 362040614 /nfs/dbraw/zinc/04/06/14/362040614.db2.gz QJTJUWXPZIIUMD-KOLCDFICSA-N 1 0 278.312 1.986 20 5 CDBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000595674541 343128722 /nfs/dbraw/zinc/12/87/22/343128722.db2.gz LERDUMWFLUYKEZ-WCQYABFASA-N 1 0 282.344 1.274 20 5 CDBDRO O=C1CC[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000595730027 343141385 /nfs/dbraw/zinc/14/13/85/343141385.db2.gz ZIOCHRCQELCBLV-AAEUAGOBSA-N 1 0 289.335 1.695 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H]1CCC[NH3+] ZINC000595973893 343201364 /nfs/dbraw/zinc/20/13/64/343201364.db2.gz QXFUXOLDMVDQHQ-MWLCHTKSSA-N 1 0 295.343 1.298 20 5 CDBDRO CCc1ccc(C(=O)N[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595991794 343212941 /nfs/dbraw/zinc/21/29/41/343212941.db2.gz KUNUXWHSNTVJCJ-AWEZNQCLSA-N 1 0 277.324 1.639 20 5 CDBDRO C[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)[N@@H+]1CCC[C@H](C)C1 ZINC000596079051 343227216 /nfs/dbraw/zinc/22/72/16/343227216.db2.gz XIFBBOKBIMUWSC-QWRGUYRKSA-N 1 0 293.371 1.526 20 5 CDBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1CC1 ZINC000596087234 343233091 /nfs/dbraw/zinc/23/30/91/343233091.db2.gz HQXGLSGKXXZBNQ-UHFFFAOYSA-N 1 0 278.312 1.200 20 5 CDBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@@H+]1C ZINC000596147432 343244173 /nfs/dbraw/zinc/24/41/73/343244173.db2.gz WYZWOTHNRQFWAQ-MWLCHTKSSA-N 1 0 292.339 1.588 20 5 CDBDRO COc1ccc(NC(=O)N[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000596122339 343248330 /nfs/dbraw/zinc/24/83/30/343248330.db2.gz NWKDPWMRURDCMG-ZDUSSCGKSA-N 1 0 294.311 1.477 20 5 CDBDRO Cc1ccnc(NCCN2C[C@@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000596434024 343320445 /nfs/dbraw/zinc/32/04/45/343320445.db2.gz WOZKIGVNFZRKKS-VXGBXAGGSA-N 1 0 294.355 1.819 20 5 CDBDRO C[NH2+]C[C@@H](C)N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000596652802 343371686 /nfs/dbraw/zinc/37/16/86/343371686.db2.gz IBVMNMGAKCHAMO-GHMZBOCLSA-N 1 0 294.355 1.509 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000141514585 342434570 /nfs/dbraw/zinc/43/45/70/342434570.db2.gz JARXSOYZLACJQN-LLVKDONJSA-N 1 0 295.364 1.967 20 5 CDBDRO COc1cc(CN2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000092454941 342412496 /nfs/dbraw/zinc/41/24/96/342412496.db2.gz BSYVCQGHBPUCJB-JTQLQIEISA-N 1 0 295.339 1.406 20 5 CDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C2 ZINC000598667817 343858461 /nfs/dbraw/zinc/85/84/61/343858461.db2.gz LMBSAQGGHZZPOU-YGRLFVJLSA-N 1 0 293.298 1.687 20 5 CDBDRO Nc1c(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598668693 343871705 /nfs/dbraw/zinc/87/17/05/343871705.db2.gz XSKIVAHIUZSDBH-XPTSAGLGSA-N 1 0 290.323 1.130 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598913212 343919187 /nfs/dbraw/zinc/91/91/87/343919187.db2.gz FKTMXTKBAFICOW-DTWKUNHWSA-N 1 0 296.302 1.935 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598914053 343919681 /nfs/dbraw/zinc/91/96/81/343919681.db2.gz WMLMNLSLOMXAPR-QMMMGPOBSA-N 1 0 284.291 1.983 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@H]21 ZINC000599084930 343950735 /nfs/dbraw/zinc/95/07/35/343950735.db2.gz ZXZWFAOUBSNLPJ-MSRIBSCDSA-N 1 0 299.334 1.534 20 5 CDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1C[C@@H](O)C1 ZINC000599669187 344125860 /nfs/dbraw/zinc/12/58/60/344125860.db2.gz CABVSYVRMWVKND-XBXGTLAGSA-N 1 0 264.325 1.840 20 5 CDBDRO [NH3+]C1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000602423380 344420760 /nfs/dbraw/zinc/42/07/60/344420760.db2.gz YNLRSFSSORDCAK-UHFFFAOYSA-N 1 0 267.260 1.297 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1c(F)cccc1[N+](=O)[O-] ZINC000602423802 344420820 /nfs/dbraw/zinc/42/08/20/344420820.db2.gz HLTDFOYIDQIXQJ-MRVPVSSYSA-N 1 0 267.260 1.216 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1c(F)cccc1[N+](=O)[O-] ZINC000602427372 344422347 /nfs/dbraw/zinc/42/23/47/344422347.db2.gz FZNGTNKNHXUSAV-QMMMGPOBSA-N 1 0 267.260 1.216 20 5 CDBDRO CC[NH2+][C@@H](C)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000602462772 344440033 /nfs/dbraw/zinc/44/00/33/344440033.db2.gz QYNPQDLVSXMGCT-JTQLQIEISA-N 1 0 279.340 1.944 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602483538 344448300 /nfs/dbraw/zinc/44/83/00/344448300.db2.gz RXLXLEUMBGQGDF-SSDOTTSWSA-N 1 0 255.249 1.059 20 5 CDBDRO CC1(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000602487181 344450011 /nfs/dbraw/zinc/45/00/11/344450011.db2.gz VTTIUCKRFLQOBK-UHFFFAOYSA-N 1 0 295.314 1.853 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602493935 344451242 /nfs/dbraw/zinc/45/12/42/344451242.db2.gz UGZDIJZMZMIDGY-WPRPVWTQSA-N 1 0 281.287 1.604 20 5 CDBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000602528586 344455059 /nfs/dbraw/zinc/45/50/59/344455059.db2.gz NSNKEEDTKDHUQR-SECBINFHSA-N 1 0 283.353 1.726 20 5 CDBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ncnn1C ZINC000602650290 344516209 /nfs/dbraw/zinc/51/62/09/344516209.db2.gz ZLQMYGNSPBHGLX-JTQLQIEISA-N 1 0 275.312 1.617 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3C[C@H](O)C3)CC2)cn1 ZINC000602717067 344556243 /nfs/dbraw/zinc/55/62/43/344556243.db2.gz LCLQSEIHKZBMFW-AULYBMBSSA-N 1 0 292.339 1.072 20 5 CDBDRO CCO[C@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602842180 344621968 /nfs/dbraw/zinc/62/19/68/344621968.db2.gz QQQBVYIJACCKCD-YPMHNXCESA-N 1 0 296.371 1.847 20 5 CDBDRO CO[C@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602842134 344622222 /nfs/dbraw/zinc/62/22/22/344622222.db2.gz QHZZDMWNSIAYMV-JQWIXIFHSA-N 1 0 282.344 1.457 20 5 CDBDRO O=[N+]([O-])c1cc(F)c(NC[C@@H]2CSCC[NH2+]2)c(F)c1 ZINC000603419384 344807844 /nfs/dbraw/zinc/80/78/44/344807844.db2.gz NEWSSQJEUXZMRZ-SSDOTTSWSA-N 1 0 289.307 1.990 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)CCOC ZINC000603433810 344808332 /nfs/dbraw/zinc/80/83/32/344808332.db2.gz JAURLNZFKILSRI-GFCCVEGCSA-N 1 0 298.339 1.481 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)COCC2CC2)cc1 ZINC000040676046 345035892 /nfs/dbraw/zinc/03/58/92/345035892.db2.gz XOFPNEKALYQLEH-HNNXBMFYSA-N 1 0 294.351 1.514 20 5 CDBDRO CCN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)CO ZINC000293442843 362552652 /nfs/dbraw/zinc/55/26/52/362552652.db2.gz OSNFSGZBZCTCDF-VIFPVBQESA-N 1 0 283.284 1.706 20 5 CDBDRO CN(CCC(=O)OC(C)(C)C)Cc1c([N+](=O)[O-])ncn1C ZINC000344218289 362556438 /nfs/dbraw/zinc/55/64/38/362556438.db2.gz LSPKZFCYAFNMJG-UHFFFAOYSA-N 1 0 298.343 1.492 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH2+]C1CC1 ZINC000151587668 345715630 /nfs/dbraw/zinc/71/56/30/345715630.db2.gz MHFLYKHMTFZBNH-UHFFFAOYSA-N 1 0 279.296 1.085 20 5 CDBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000029091507 345984419 /nfs/dbraw/zinc/98/44/19/345984419.db2.gz RACFLFAUSVLRDI-UHFFFAOYSA-N 1 0 289.335 1.951 20 5 CDBDRO C[NH+](C)C1CCN(CCNc2cccnc2[N+](=O)[O-])CC1 ZINC000610510564 346300101 /nfs/dbraw/zinc/30/01/01/346300101.db2.gz YQHXEPHTYWGTAS-UHFFFAOYSA-N 1 0 293.371 1.428 20 5 CDBDRO C[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000230417860 346550174 /nfs/dbraw/zinc/55/01/74/346550174.db2.gz KDYMUNHXCSHPPK-NTZNESFSSA-N 1 0 282.344 1.178 20 5 CDBDRO CC[N@@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611087479 346602433 /nfs/dbraw/zinc/60/24/33/346602433.db2.gz JVOXHWKVKKTUME-GFCCVEGCSA-N 1 0 291.351 1.690 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C[NH3+] ZINC000085810192 179177397 /nfs/dbraw/zinc/17/73/97/179177397.db2.gz QJUHXHXCPMQYKE-UHFFFAOYSA-N 1 0 274.280 1.644 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@@H](O)C[NH+]2CCCCC2)cn1 ZINC000344441204 362778078 /nfs/dbraw/zinc/77/80/78/362778078.db2.gz VSFZJBWRBIHQBF-GFCCVEGCSA-N 1 0 280.328 1.249 20 5 CDBDRO O=C(NCC[NH+]1CCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344459764 362789893 /nfs/dbraw/zinc/78/98/93/362789893.db2.gz MRVZBDHQLBJJSZ-UHFFFAOYSA-N 1 0 281.287 1.560 20 5 CDBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[C@H]1[NH3+] ZINC000122567428 347659280 /nfs/dbraw/zinc/65/92/80/347659280.db2.gz GLNWDSIZWKIRGC-GXSJLCMTSA-N 1 0 280.328 1.133 20 5 CDBDRO C[C@@H]1C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000273421745 192145577 /nfs/dbraw/zinc/14/55/77/192145577.db2.gz YZZYWZGGBYALFB-JHJVBQTASA-N 1 0 294.351 1.922 20 5 CDBDRO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1CO ZINC000615455831 348514525 /nfs/dbraw/zinc/51/45/25/348514525.db2.gz IRVWJSPFABWVAH-JOYOIKCWSA-N 1 0 291.307 1.939 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C)CC1 ZINC000063465285 348924006 /nfs/dbraw/zinc/92/40/06/348924006.db2.gz UTXZAAWMTXIGDW-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](C)C2)c1 ZINC000266085697 362938449 /nfs/dbraw/zinc/93/84/49/362938449.db2.gz OOAMMNQUCFNYPY-NSHDSACASA-N 1 0 277.324 1.585 20 5 CDBDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000106468327 186119596 /nfs/dbraw/zinc/11/95/96/186119596.db2.gz IKVFSIUZZYHOMZ-GFCCVEGCSA-N 1 0 279.340 1.787 20 5 CDBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000110646813 186308563 /nfs/dbraw/zinc/30/85/63/186308563.db2.gz UTLGDAWCOPGVSQ-SECBINFHSA-N 1 0 280.328 1.133 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000311275770 350664044 /nfs/dbraw/zinc/66/40/44/350664044.db2.gz GINXHKZIAGLFHI-JTQLQIEISA-N 1 0 268.317 1.037 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000156157395 351452176 /nfs/dbraw/zinc/45/21/76/351452176.db2.gz JJVRRDIFGSRYTO-VHSXEESVSA-N 1 0 299.352 1.095 20 5 CDBDRO COC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000123180730 187076072 /nfs/dbraw/zinc/07/60/72/187076072.db2.gz WHDADMPWUZRECY-UHFFFAOYSA-N 1 0 280.324 1.880 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000122620525 187041667 /nfs/dbraw/zinc/04/16/67/187041667.db2.gz RDXHHDJFYBAXHN-VIFPVBQESA-N 1 0 269.326 1.480 20 5 CDBDRO C[C@H](CN1CCOCC1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000271598246 191233347 /nfs/dbraw/zinc/23/33/47/191233347.db2.gz HHPGHKJDELBGNX-CYBMUJFWSA-N 1 0 293.367 1.747 20 5 CDBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)COC)cc1[N+](=O)[O-] ZINC000153857269 188108255 /nfs/dbraw/zinc/10/82/55/188108255.db2.gz RFXVBXQSBOKIPR-CMPLNLGQSA-N 1 0 298.339 1.651 20 5 CDBDRO Cc1ccc(N2C[C@H](O)[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000292380606 198265935 /nfs/dbraw/zinc/26/59/35/198265935.db2.gz QCVDRZWQQMDKKH-STQMWFEESA-N 1 0 265.313 1.014 20 5 CDBDRO C[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000155160400 188187971 /nfs/dbraw/zinc/18/79/71/188187971.db2.gz BMHHALLFAGWOBC-JTQLQIEISA-N 1 0 295.364 1.507 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000157133096 188299201 /nfs/dbraw/zinc/29/92/01/188299201.db2.gz LTHNZZFDBDCZDB-NSHDSACASA-N 1 0 296.283 1.216 20 5 CDBDRO C[NH+](C)C(C)(C)CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000157302669 188308857 /nfs/dbraw/zinc/30/88/57/188308857.db2.gz YEOIELFEGJCJKU-UHFFFAOYSA-N 1 0 280.328 1.247 20 5 CDBDRO Cc1cc(NC[C@H]2C[N@@H+](C)CCN2C)c(F)cc1[N+](=O)[O-] ZINC000292589885 198343479 /nfs/dbraw/zinc/34/34/79/198343479.db2.gz LOLSDFIEWLWSMK-NSHDSACASA-N 1 0 296.346 1.700 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000295186870 199394181 /nfs/dbraw/zinc/39/41/81/199394181.db2.gz IHDLURZAFCKCKW-NSHDSACASA-N 1 0 279.340 1.726 20 5 CDBDRO C[C@@H](NC(=O)C1=CC[C@@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC001579405629 1172168244 /nfs/dbraw/zinc/16/82/44/1172168244.db2.gz DEGMIGPQDIXDHU-MWLCHTKSSA-N 1 0 275.308 1.820 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000063169972 363277497 /nfs/dbraw/zinc/27/74/97/363277497.db2.gz BACDVBBIPGPNFE-ZETCQYMHSA-N 1 0 255.249 1.201 20 5 CDBDRO O=C(NC[C@H]1CC[NH2+]C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000272976729 192004372 /nfs/dbraw/zinc/00/43/72/192004372.db2.gz CLAVGBSJSWKFOB-VIFPVBQESA-N 1 0 289.291 1.680 20 5 CDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[NH2+]C1 ZINC000273026663 192024820 /nfs/dbraw/zinc/02/48/20/192024820.db2.gz LYBDHXIYBQMUGM-SNVBAGLBSA-N 1 0 295.364 1.413 20 5 CDBDRO Cc1cnn(C)c1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000286395337 356285765 /nfs/dbraw/zinc/28/57/65/356285765.db2.gz HCRCDKJGTQOKCR-UHFFFAOYSA-N 1 0 274.324 1.969 20 5 CDBDRO CC[C@@H]([NH2+][C@@H](CO)COC)c1cccc([N+](=O)[O-])c1 ZINC000233897923 356414368 /nfs/dbraw/zinc/41/43/68/356414368.db2.gz GTRQTUVPCDAPDC-WCQYABFASA-N 1 0 268.313 1.643 20 5 CDBDRO C[N@@H+]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000560700779 357012494 /nfs/dbraw/zinc/01/24/94/357012494.db2.gz KKMBCWNIOPDUSL-UHFFFAOYSA-N 1 0 290.323 1.874 20 5 CDBDRO CC1CC[NH+](CCNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000046955860 357150129 /nfs/dbraw/zinc/15/01/29/357150129.db2.gz ZPXPCIFKJJUTTP-UHFFFAOYSA-N 1 0 281.312 1.650 20 5 CDBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c([N+](=O)[O-])ncn1C ZINC000360438325 357235415 /nfs/dbraw/zinc/23/54/15/357235415.db2.gz WUQVBKLZLFKFCZ-RYUDHWBXSA-N 1 0 293.371 1.387 20 5 CDBDRO CCc1ccc(C(=O)NCCCC[NH3+])cc1[N+](=O)[O-] ZINC000181053177 357307967 /nfs/dbraw/zinc/30/79/67/357307967.db2.gz KBRYHFDGFFPSKT-UHFFFAOYSA-N 1 0 265.313 1.626 20 5 CDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccnc1 ZINC000181656142 357371992 /nfs/dbraw/zinc/37/19/92/357371992.db2.gz QEOBDFDPVJZIMB-LLVKDONJSA-N 1 0 288.307 1.502 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000283534562 357567821 /nfs/dbraw/zinc/56/78/21/357567821.db2.gz XLJFYUNZKZCEOD-ZETCQYMHSA-N 1 0 296.283 1.149 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H](C)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284110651 357642733 /nfs/dbraw/zinc/64/27/33/357642733.db2.gz NGPJAJIMEUDAOR-NXEZZACHSA-N 1 0 266.345 1.778 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135244720 357814331 /nfs/dbraw/zinc/81/43/31/357814331.db2.gz UQMCRWWQSFTFAT-GFCCVEGCSA-N 1 0 279.340 1.771 20 5 CDBDRO C[C@@H](NC(=O)[C@@]1(C)CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000062894162 357980336 /nfs/dbraw/zinc/98/03/36/357980336.db2.gz IVTXQCPHEPNYED-YGRLFVJLSA-N 1 0 277.324 1.772 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000287219234 358272940 /nfs/dbraw/zinc/27/29/40/358272940.db2.gz OJFUOGXSFVWHJK-JTQLQIEISA-N 1 0 265.313 1.583 20 5 CDBDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000193611781 358308697 /nfs/dbraw/zinc/30/86/97/358308697.db2.gz UQSPCHOZSBEYAS-QPUJVOFHSA-N 1 0 297.742 1.862 20 5 CDBDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000193632536 358311087 /nfs/dbraw/zinc/31/10/87/358311087.db2.gz UNJOXUJOIBWXSW-GXFFZTMASA-N 1 0 293.323 1.088 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](CO)[C@H](C)C1 ZINC000361658706 358408231 /nfs/dbraw/zinc/40/82/31/358408231.db2.gz GHIKOVGPLZZBOO-DGCLKSJQSA-N 1 0 264.325 1.963 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194704356 358388701 /nfs/dbraw/zinc/38/87/01/358388701.db2.gz HMMIRLQUCCTNKQ-UHFFFAOYSA-N 1 0 265.313 1.585 20 5 CDBDRO Cc1cc(NC[C@H](C)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000264840919 358725650 /nfs/dbraw/zinc/72/56/50/358725650.db2.gz JVHFGMZGFIQGRD-ZDUSSCGKSA-N 1 0 292.383 1.951 20 5 CDBDRO CNC(=O)C(C)(C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000120324356 358742175 /nfs/dbraw/zinc/74/21/75/358742175.db2.gz SZGZPRTYUSTLHD-UHFFFAOYSA-N 1 0 271.342 1.518 20 5 CDBDRO CC[N@H+](CCNc1ncc([N+](=O)[O-])cn1)C1CC1 ZINC000230873328 358796853 /nfs/dbraw/zinc/79/68/53/358796853.db2.gz QUHXRYPSWTYGKJ-UHFFFAOYSA-N 1 0 251.290 1.281 20 5 CDBDRO C[NH+](C)CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000101665382 358857693 /nfs/dbraw/zinc/85/76/93/358857693.db2.gz OGOPKDOOLDTSHR-UHFFFAOYSA-N 1 0 294.355 1.465 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000072013047 359006660 /nfs/dbraw/zinc/00/66/60/359006660.db2.gz HYTWVASIRRPZNO-LLVKDONJSA-N 1 0 293.323 1.888 20 5 CDBDRO CNC(=O)N[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000342358577 359018125 /nfs/dbraw/zinc/01/81/25/359018125.db2.gz HNGBZTFHQMNZBL-LBPRGKRZSA-N 1 0 292.339 1.141 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H](C)O ZINC000051837837 359134584 /nfs/dbraw/zinc/13/45/84/359134584.db2.gz AORRDVHWSIZWCB-SECBINFHSA-N 1 0 254.286 1.416 20 5 CDBDRO CSc1ccc(C(=O)NCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000342622427 359145009 /nfs/dbraw/zinc/14/50/09/359145009.db2.gz SNLPIESJXGHVHF-UHFFFAOYSA-N 1 0 295.364 1.928 20 5 CDBDRO CC[C@H]1CN(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000487152852 359369762 /nfs/dbraw/zinc/36/97/62/359369762.db2.gz GCFRKGNDRFITOL-HNNXBMFYSA-N 1 0 293.367 1.795 20 5 CDBDRO CC(C)(CO)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000339722995 359427808 /nfs/dbraw/zinc/42/78/08/359427808.db2.gz ATEGXBJQKQEGQP-GFCCVEGCSA-N 1 0 282.344 1.178 20 5 CDBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000049948340 359525571 /nfs/dbraw/zinc/52/55/71/359525571.db2.gz YDJCIYQCMAZNHE-NSHDSACASA-N 1 0 277.324 1.695 20 5 CDBDRO CC[C@H]1CN(CC[NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000487172207 359487661 /nfs/dbraw/zinc/48/76/61/359487661.db2.gz KZFWXEDWMHRRMR-LBPRGKRZSA-N 1 0 299.396 1.857 20 5 CDBDRO Cn1cnc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000571345201 359567142 /nfs/dbraw/zinc/56/71/42/359567142.db2.gz ORZKJMBNWXHUHA-LBPRGKRZSA-N 1 0 287.323 1.543 20 5 CDBDRO CC1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000571754523 359614321 /nfs/dbraw/zinc/61/43/21/359614321.db2.gz NWIAAHLPUWYUSW-LBPRGKRZSA-N 1 0 280.324 1.724 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000571779499 359613301 /nfs/dbraw/zinc/61/33/01/359613301.db2.gz LWIILKLAFMGFGX-VXGBXAGGSA-N 1 0 276.340 1.816 20 5 CDBDRO CC(C)(O)C1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000297520878 200217814 /nfs/dbraw/zinc/21/78/14/200217814.db2.gz YEWSDYCINCXXAK-UHFFFAOYSA-N 1 0 250.298 1.798 20 5 CDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000265164280 359827675 /nfs/dbraw/zinc/82/76/75/359827675.db2.gz WTIZTTYCQIJLJW-UHFFFAOYSA-N 1 0 268.313 1.676 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000237945657 283496722 /nfs/dbraw/zinc/49/67/22/283496722.db2.gz KKGGRUUMXVQCRQ-LLVKDONJSA-N 1 0 292.339 1.347 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000062114353 359957281 /nfs/dbraw/zinc/95/72/81/359957281.db2.gz WXWLXDVHGAXHRS-GXSJLCMTSA-N 1 0 263.297 1.382 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](O)COc1ccc(F)cc1[N+](=O)[O-] ZINC000383779305 360083467 /nfs/dbraw/zinc/08/34/67/360083467.db2.gz ABARJGMUBXABPY-NSHDSACASA-N 1 0 286.303 1.814 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000135882246 360138911 /nfs/dbraw/zinc/13/89/11/360138911.db2.gz SXQHRNFIFLFFKO-DTWKUNHWSA-N 1 0 281.287 1.543 20 5 CDBDRO C[C@H]1C[C@@H](C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235677826 360278469 /nfs/dbraw/zinc/27/84/69/360278469.db2.gz UDCZHNHFIUEBLN-RYUDHWBXSA-N 1 0 291.351 1.941 20 5 CDBDRO CO[C@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000122938657 360519588 /nfs/dbraw/zinc/51/95/88/360519588.db2.gz VSTFKVWNHYBYGR-ZDUSSCGKSA-N 1 0 266.297 1.490 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000043571137 283561645 /nfs/dbraw/zinc/56/16/45/283561645.db2.gz IGWMPZCNEWZWIZ-VXGBXAGGSA-N 1 0 281.287 1.734 20 5 CDBDRO CC[N@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1N)C1CC1 ZINC000178191361 189096733 /nfs/dbraw/zinc/09/67/33/189096733.db2.gz AFDGQZJGAHRTLY-UHFFFAOYSA-N 1 0 292.339 1.391 20 5 CDBDRO CNc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]C)cc1[N+](=O)[O-] ZINC000514938049 360802598 /nfs/dbraw/zinc/80/25/98/360802598.db2.gz WJFRBDGAMDEPPR-LLVKDONJSA-N 1 0 292.339 1.461 20 5 CDBDRO [NH3+][C@@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000236306148 283592462 /nfs/dbraw/zinc/59/24/62/283592462.db2.gz PCXLIMRQYXIWHJ-ZCFIWIBFSA-N 1 0 287.117 1.290 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000237926821 283638230 /nfs/dbraw/zinc/63/82/30/283638230.db2.gz YQWIHVCNGTVYEU-ZETCQYMHSA-N 1 0 269.688 1.421 20 5 CDBDRO Cc1cc(C(=O)N(C)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000036283206 361421733 /nfs/dbraw/zinc/42/17/33/361421733.db2.gz USKWXFDBUZWGAX-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO C[NH+](C)CCn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC000291635494 239213484 /nfs/dbraw/zinc/21/34/84/239213484.db2.gz LWIVMKVCIZJPTJ-UHFFFAOYSA-N 1 0 261.281 1.471 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)cs1 ZINC000292606681 239268739 /nfs/dbraw/zinc/26/87/39/239268739.db2.gz HSHCHSYWOFQRPX-ZJUUUORDSA-N 1 0 272.326 1.286 20 5 CDBDRO O=C(CC[NH2+][C@@H]1CCC[C@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000580431696 363907375 /nfs/dbraw/zinc/90/73/75/363907375.db2.gz XONIUGFAAUUJCD-DGCLKSJQSA-N 1 0 293.323 1.426 20 5 CDBDRO O=C1CC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CN1 ZINC000104349426 364655296 /nfs/dbraw/zinc/65/52/96/364655296.db2.gz PLHCIGOUFSZQFH-MRVPVSSYSA-N 1 0 255.299 1.025 20 5 CDBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000249497694 364756808 /nfs/dbraw/zinc/75/68/08/364756808.db2.gz HICNIBWNEDJRGQ-OLZOCXBDSA-N 1 0 293.367 1.482 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCCOCC2)c1 ZINC000275511270 193062392 /nfs/dbraw/zinc/06/23/92/193062392.db2.gz VAXDYEUNYCADOV-UHFFFAOYSA-N 1 0 295.339 1.738 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(C)COC1 ZINC000094722280 366882979 /nfs/dbraw/zinc/88/29/79/366882979.db2.gz RFESESBUCCLFHB-UHFFFAOYSA-N 1 0 266.297 1.730 20 5 CDBDRO C[C@@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000270559362 366900136 /nfs/dbraw/zinc/90/01/36/366900136.db2.gz PHQOGVSOLFLTLM-SNVBAGLBSA-N 1 0 278.230 1.998 20 5 CDBDRO C[NH+](C)C/C=C/C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270793333 366932019 /nfs/dbraw/zinc/93/20/19/366932019.db2.gz URNFPRZHMIGMSS-QPJJXVBHSA-N 1 0 277.324 1.371 20 5 CDBDRO CC[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000270826093 366935209 /nfs/dbraw/zinc/93/52/09/366935209.db2.gz BXUGDUWGALDCKB-SMDDNHRTSA-N 1 0 280.324 1.676 20 5 CDBDRO Cc1ccc(NC(=O)N2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000414666401 241312356 /nfs/dbraw/zinc/31/23/56/241312356.db2.gz WIMYRWUJRWNYTA-UHFFFAOYSA-N 1 0 278.312 1.858 20 5 CDBDRO Cc1c(NC(=O)N[C@@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000414716652 241348965 /nfs/dbraw/zinc/34/89/65/241348965.db2.gz XKWYTVQYGOEJEV-NSHDSACASA-N 1 0 278.312 1.762 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094772116 367004631 /nfs/dbraw/zinc/00/46/31/367004631.db2.gz ORPYLDBZETYLPF-SNVBAGLBSA-N 1 0 275.312 1.789 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000094340201 367073915 /nfs/dbraw/zinc/07/39/15/367073915.db2.gz FFWHYATXGKMYJE-BXKDBHETSA-N 1 0 263.297 1.404 20 5 CDBDRO COc1cc(CNC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OC ZINC000414798982 241392619 /nfs/dbraw/zinc/39/26/19/241392619.db2.gz QUEILFTYRKOWNK-LLVKDONJSA-N 1 0 297.355 1.685 20 5 CDBDRO COc1cc(CNCC(C)(C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000414806914 241398179 /nfs/dbraw/zinc/39/81/79/241398179.db2.gz QRNUWRAUZNAEHF-UHFFFAOYSA-N 1 0 283.328 1.439 20 5 CDBDRO C[NH2+]CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269119863 367131513 /nfs/dbraw/zinc/13/15/13/367131513.db2.gz BBTXNVORALFCTM-UHFFFAOYSA-N 1 0 277.280 1.680 20 5 CDBDRO C[C@@H](NC(=O)/C=C/C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000272087674 367082065 /nfs/dbraw/zinc/08/20/65/367082065.db2.gz IMXNDBRNDDHWCB-OALRPVAKSA-N 1 0 277.324 1.890 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000415483502 241699560 /nfs/dbraw/zinc/69/95/60/241699560.db2.gz MTVRFERQMLNZSB-SNVBAGLBSA-N 1 0 278.312 1.777 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC1C[NH2+]C1 ZINC000415486728 241702024 /nfs/dbraw/zinc/70/20/24/241702024.db2.gz RYNPFDKIBZFRJD-UHFFFAOYSA-N 1 0 278.312 1.553 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC[NH3+] ZINC000415498698 241704756 /nfs/dbraw/zinc/70/47/56/241704756.db2.gz JAMWOMOGOMTPEA-UHFFFAOYSA-N 1 0 268.273 1.026 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000272231157 367565821 /nfs/dbraw/zinc/56/58/21/367565821.db2.gz JUQLIQVDWCYXIH-QWRGUYRKSA-N 1 0 292.339 1.202 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000272312643 367678373 /nfs/dbraw/zinc/67/83/73/367678373.db2.gz SBNALNQRDAPMIN-ZJUUUORDSA-N 1 0 293.323 1.413 20 5 CDBDRO C[C@H](CC(N)=O)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272669341 367788568 /nfs/dbraw/zinc/78/85/68/367788568.db2.gz STDYFANJJFZLQG-MRVPVSSYSA-N 1 0 285.731 1.644 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000418738822 243392042 /nfs/dbraw/zinc/39/20/42/243392042.db2.gz XSWOOXWCGLCRDO-NSHDSACASA-N 1 0 280.328 1.474 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000330595433 203017604 /nfs/dbraw/zinc/01/76/04/203017604.db2.gz QUHYBEBBTYIBNO-VXGBXAGGSA-N 1 0 291.351 1.688 20 5 CDBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1C[NH2+]CCN1C ZINC000420271734 244004558 /nfs/dbraw/zinc/00/45/58/244004558.db2.gz KNWXJQYPOQIUKB-CYBMUJFWSA-N 1 0 294.355 1.057 20 5 CDBDRO Cc1nc(NC[C@H]2CCC[C@@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000420280772 244018145 /nfs/dbraw/zinc/01/81/45/244018145.db2.gz LJEAUTNRLHKKEO-VHSXEESVSA-N 1 0 265.317 1.045 20 5 CDBDRO C[C@@H]1C[N@H+](C)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000330673613 203102066 /nfs/dbraw/zinc/10/20/66/203102066.db2.gz PNYRSFKRIPQFCV-GFCCVEGCSA-N 1 0 279.340 1.610 20 5 CDBDRO CCc1n[nH]c(C(=O)N(C)CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000330688193 203120116 /nfs/dbraw/zinc/12/01/16/203120116.db2.gz WSQASSVDXLUTBJ-UHFFFAOYSA-N 1 0 295.343 1.048 20 5 CDBDRO Cc1nn(C)c(N(C)C[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000420633455 244299704 /nfs/dbraw/zinc/29/97/04/244299704.db2.gz JEKKEBTXJLLTJF-JTQLQIEISA-N 1 0 267.333 1.167 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000129808923 369384065 /nfs/dbraw/zinc/38/40/65/369384065.db2.gz JAYZYZVBGVBJLO-SNVBAGLBSA-N 1 0 293.323 1.333 20 5 CDBDRO Cc1c([C@@H](C)NC[C@@]2(O)CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000330874875 203339845 /nfs/dbraw/zinc/33/98/45/203339845.db2.gz ISLVUCBVCVTNIP-DOMZBBRYSA-N 1 0 293.367 1.620 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000330888255 203356240 /nfs/dbraw/zinc/35/62/40/203356240.db2.gz GDGBOWNOUGOZBW-DGCLKSJQSA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000295227513 369719064 /nfs/dbraw/zinc/71/90/64/369719064.db2.gz NKJCADIJCSWQNT-NSHDSACASA-N 1 0 279.340 1.771 20 5 CDBDRO [NH3+]C1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000037668469 369783342 /nfs/dbraw/zinc/78/33/42/369783342.db2.gz MWUNPFRNUSHNGX-UHFFFAOYSA-N 1 0 277.324 1.873 20 5 CDBDRO CCC[NH2+][C@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000295748629 370619282 /nfs/dbraw/zinc/61/92/82/370619282.db2.gz PIXAVGFQXVEUKO-SNVBAGLBSA-N 1 0 277.324 1.872 20 5 CDBDRO C[C@@H](NCCc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]1 ZINC000422797121 245266995 /nfs/dbraw/zinc/26/69/95/245266995.db2.gz ZWIMJSWQZVDBMF-DGCLKSJQSA-N 1 0 263.341 1.867 20 5 CDBDRO Cc1c(CC(=O)N[C@H](C[NH3+])CC(C)C)cccc1[N+](=O)[O-] ZINC000422827970 245306061 /nfs/dbraw/zinc/30/60/61/245306061.db2.gz FMRKCEDYKLAJDF-ZDUSSCGKSA-N 1 0 293.367 1.935 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000414952352 371160700 /nfs/dbraw/zinc/16/07/00/371160700.db2.gz KJPOMJZYURVLQH-WPRPVWTQSA-N 1 0 255.343 1.886 20 5 CDBDRO Cc1c(CC(=O)N[C@H]2CCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000422864652 245350440 /nfs/dbraw/zinc/35/04/40/245350440.db2.gz NLEFSZJPFUKQFK-OLZOCXBDSA-N 1 0 291.351 1.689 20 5 CDBDRO COc1cc(C(=O)NC[C@@H]([NH3+])C(C)C)cc([N+](=O)[O-])c1C ZINC000422856906 245338728 /nfs/dbraw/zinc/33/87/28/245338728.db2.gz XLKZPYSMOBGXJK-LLVKDONJSA-N 1 0 295.339 1.625 20 5 CDBDRO CC[C@H]([NH3+])CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000414973148 371196768 /nfs/dbraw/zinc/19/67/68/371196768.db2.gz BVAJBAUSSOPVDE-JTQLQIEISA-N 1 0 253.302 1.430 20 5 CDBDRO CCn1cc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000296012738 371203561 /nfs/dbraw/zinc/20/35/61/371203561.db2.gz LHVRHLODLOUJRF-SNVBAGLBSA-N 1 0 278.316 1.359 20 5 CDBDRO CC[N@H+](C)CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000112926327 284333262 /nfs/dbraw/zinc/33/32/62/284333262.db2.gz GYKHWQZKGLKVAV-UHFFFAOYSA-N 1 0 297.380 1.755 20 5 CDBDRO C[N@@H+](Cc1cccs1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266421748 372781673 /nfs/dbraw/zinc/78/16/73/372781673.db2.gz ITSUEIXAMPRCDF-NSHDSACASA-N 1 0 296.352 1.346 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000543576965 373036498 /nfs/dbraw/zinc/03/64/98/373036498.db2.gz GOECWFISTQDNLA-NSHDSACASA-N 1 0 294.355 1.395 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000299533861 373655997 /nfs/dbraw/zinc/65/59/97/373655997.db2.gz RGPANJMVCDFHNP-GFCCVEGCSA-N 1 0 263.297 1.305 20 5 CDBDRO CC[N@H+](CCCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000266584016 374086527 /nfs/dbraw/zinc/08/65/27/374086527.db2.gz SGMYUGDKEQMSKG-UHFFFAOYSA-N 1 0 268.313 1.678 20 5 CDBDRO C[C@H](NC(=O)N1CC[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000418238575 374260041 /nfs/dbraw/zinc/26/00/41/374260041.db2.gz XLLANEHFEDKTIA-GXSJLCMTSA-N 1 0 278.312 1.398 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000312148753 374278570 /nfs/dbraw/zinc/27/85/70/374278570.db2.gz BDKHZWVRAJBDHN-FJOGCWAESA-N 1 0 275.308 1.428 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCc1ncc[nH]1 ZINC000421769536 374330748 /nfs/dbraw/zinc/33/07/48/374330748.db2.gz SGVNPPDSQZDMHF-UHFFFAOYSA-N 1 0 288.307 1.907 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000161614557 374355049 /nfs/dbraw/zinc/35/50/49/374355049.db2.gz IIVOHDHTFZOWET-UWVGGRQHSA-N 1 0 263.297 1.595 20 5 CDBDRO Cc1c(CNC(=O)CC2(C[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000423816999 246113702 /nfs/dbraw/zinc/11/37/02/246113702.db2.gz YLMVWIWDZPKLLN-UHFFFAOYSA-N 1 0 277.324 1.648 20 5 CDBDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000299090500 374381193 /nfs/dbraw/zinc/38/11/93/374381193.db2.gz GPDLPDOIDFGKMW-UHFFFAOYSA-N 1 0 294.355 1.773 20 5 CDBDRO CC1(C)[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@@H]2CCO[C@@H]21 ZINC000376494321 374560211 /nfs/dbraw/zinc/56/02/11/374560211.db2.gz DUNBMDHYKAIORH-TUAOUCFPSA-N 1 0 280.328 1.194 20 5 CDBDRO CC[C@]1(C(=O)NCCc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000378231355 374636199 /nfs/dbraw/zinc/63/61/99/374636199.db2.gz SQJKNWLFPROJAL-HNNXBMFYSA-N 1 0 291.351 1.643 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000070172296 374654314 /nfs/dbraw/zinc/65/43/14/374654314.db2.gz GGGZQYNMFZRDJM-ZYHUDNBSSA-N 1 0 277.324 1.794 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000070447205 374662882 /nfs/dbraw/zinc/66/28/82/374662882.db2.gz KHEFPYCTCLXZMH-QMMMGPOBSA-N 1 0 257.315 1.369 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000275186786 374691721 /nfs/dbraw/zinc/69/17/21/374691721.db2.gz YJDUSZGKJPSTRJ-ZYHUDNBSSA-N 1 0 277.324 1.631 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)CC[NH+](C)C ZINC000277670570 374801875 /nfs/dbraw/zinc/80/18/75/374801875.db2.gz XNFMLOKJYKQDIL-SNVBAGLBSA-N 1 0 295.339 1.673 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000331159108 374897951 /nfs/dbraw/zinc/89/79/51/374897951.db2.gz ZMFHDPZDRIPQHN-ZDUSSCGKSA-N 1 0 277.324 1.614 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CC=CCC2)n1 ZINC000280222637 374988372 /nfs/dbraw/zinc/98/83/72/374988372.db2.gz KZBLRLAVEJCMNT-UHFFFAOYSA-N 1 0 262.313 1.972 20 5 CDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CC[NH2+]C[C@@H]1F ZINC001580570147 1172470039 /nfs/dbraw/zinc/47/00/39/1172470039.db2.gz OIZGMVPNUSMZEI-QWRGUYRKSA-N 1 0 299.277 1.093 20 5 CDBDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000280275694 374990246 /nfs/dbraw/zinc/99/02/46/374990246.db2.gz MZRLPDOBTCWQPP-CYBMUJFWSA-N 1 0 297.742 1.946 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1C[N@@H+](C)CCN1C ZINC000096474970 375104321 /nfs/dbraw/zinc/10/43/21/375104321.db2.gz MEFVHCMFUNBWKG-GFCCVEGCSA-N 1 0 278.356 1.561 20 5 CDBDRO CC(C)[C@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332669049 375043486 /nfs/dbraw/zinc/04/34/86/375043486.db2.gz QHIIHOHCHBLQSG-SNVBAGLBSA-N 1 0 252.318 1.949 20 5 CDBDRO Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000471800054 375056330 /nfs/dbraw/zinc/05/63/30/375056330.db2.gz SUIMUROKEQAKFW-PWSUYJOCSA-N 1 0 250.298 1.858 20 5 CDBDRO Cc1n[nH]c(C(=O)N[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000299573562 375182270 /nfs/dbraw/zinc/18/22/70/375182270.db2.gz WFCJKEVIACTVDZ-VIFPVBQESA-N 1 0 295.343 1.231 20 5 CDBDRO C[C@H](O)C[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000131139098 375173489 /nfs/dbraw/zinc/17/34/89/375173489.db2.gz MWOZRFXOAHAOSK-NSHDSACASA-N 1 0 268.313 1.676 20 5 CDBDRO CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283849566 375126362 /nfs/dbraw/zinc/12/63/62/375126362.db2.gz BDSGBXZFISGMJJ-MWLCHTKSSA-N 1 0 267.329 1.989 20 5 CDBDRO Cc1cc(=O)n(CC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000283856535 375126702 /nfs/dbraw/zinc/12/67/02/375126702.db2.gz HMVQAEXZWLGCNY-LBPRGKRZSA-N 1 0 279.340 1.939 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000162447912 375354543 /nfs/dbraw/zinc/35/45/43/375354543.db2.gz BWABLXYYFUKZLD-VXGBXAGGSA-N 1 0 277.324 1.903 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000162448044 375354793 /nfs/dbraw/zinc/35/47/93/375354793.db2.gz BWABLXYYFUKZLD-NEPJUHHUSA-N 1 0 277.324 1.903 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000131869124 375369712 /nfs/dbraw/zinc/36/97/12/375369712.db2.gz ABELFTNHHOOCAK-PWSUYJOCSA-N 1 0 277.324 1.333 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(O)CCOC1 ZINC000344846702 375596455 /nfs/dbraw/zinc/59/64/55/375596455.db2.gz BVTRIXTXMUFNPV-CUXKMMBLSA-N 1 0 292.335 1.739 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)C2CC2)c(F)c1 ZINC000353069181 375574428 /nfs/dbraw/zinc/57/44/28/375574428.db2.gz FKMZTFISCSCCCF-NSHDSACASA-N 1 0 268.288 1.842 20 5 CDBDRO COc1ccc(CN(C)[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000160110961 375721354 /nfs/dbraw/zinc/72/13/54/375721354.db2.gz TVYTZERQWVJGHD-ZDUSSCGKSA-N 1 0 279.340 1.773 20 5 CDBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]CCc1nnc[nH]1 ZINC000345044400 375731818 /nfs/dbraw/zinc/73/18/18/375731818.db2.gz PAPVJYOPQIXSKJ-XFFZJAGNSA-N 1 0 287.323 1.949 20 5 CDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354747194 375748114 /nfs/dbraw/zinc/74/81/14/375748114.db2.gz XNDBHRYALAUUNB-SNVBAGLBSA-N 1 0 292.339 1.343 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000354584681 375729029 /nfs/dbraw/zinc/72/90/29/375729029.db2.gz ZDDFJAYYWYSRDJ-NSHDSACASA-N 1 0 293.367 1.939 20 5 CDBDRO O=[N+]([O-])c1cccc(OCCN2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428047701 247235839 /nfs/dbraw/zinc/23/58/39/247235839.db2.gz ZGQNTAZMNVTUMD-SWLSCSKDSA-N 1 0 291.351 1.657 20 5 CDBDRO CN(c1ccccc1[N+](=O)[O-])C1CC[NH+](CCO)CC1 ZINC000357615252 375921893 /nfs/dbraw/zinc/92/18/93/375921893.db2.gz UPQNWTONZXRGNO-UHFFFAOYSA-N 1 0 279.340 1.488 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000261750686 190043838 /nfs/dbraw/zinc/04/38/38/190043838.db2.gz NITRQZWOMPKEKF-QMMMGPOBSA-N 1 0 277.280 1.679 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000171498907 376723460 /nfs/dbraw/zinc/72/34/60/376723460.db2.gz TVKVSYOCQQEYMU-VIFPVBQESA-N 1 0 297.359 1.097 20 5 CDBDRO COc1ccc(C[NH2+]C[C@H]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000188857809 377097325 /nfs/dbraw/zinc/09/73/25/377097325.db2.gz MGYJPAHNCZBRGA-CMPLNLGQSA-N 1 0 280.324 1.854 20 5 CDBDRO COc1ccc(C[NH2+]CCN2CCCC2=O)cc1[N+](=O)[O-] ZINC000405375705 377242107 /nfs/dbraw/zinc/24/21/07/377242107.db2.gz GGXGAGYVQLIGSW-UHFFFAOYSA-N 1 0 293.323 1.315 20 5 CDBDRO COCC[C@@](C)(O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000172072525 377244649 /nfs/dbraw/zinc/24/46/49/377244649.db2.gz CUPCMJKZQHCOID-CQSZACIVSA-N 1 0 282.340 1.780 20 5 CDBDRO COC[C@](C)([NH3+])CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000266843357 377560368 /nfs/dbraw/zinc/56/03/68/377560368.db2.gz NQWXMSVEONCXQF-LLVKDONJSA-N 1 0 254.290 1.074 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CCC1 ZINC000438515503 249610704 /nfs/dbraw/zinc/61/07/04/249610704.db2.gz MOLWRBOJMDIWEP-UHFFFAOYSA-N 1 0 292.339 1.391 20 5 CDBDRO Cn1c(C(=O)NCC[NH2+]C(C)(C)C)ccc1[N+](=O)[O-] ZINC000439523440 249706707 /nfs/dbraw/zinc/70/67/07/249706707.db2.gz XNAGFZUBUZTROD-UHFFFAOYSA-N 1 0 268.317 1.051 20 5 CDBDRO CC1(C)CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173739144 379029722 /nfs/dbraw/zinc/02/97/22/379029722.db2.gz COIQAIQRJBYKPU-GFCCVEGCSA-N 1 0 282.344 1.274 20 5 CDBDRO CCOCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447539484 250382742 /nfs/dbraw/zinc/38/27/42/250382742.db2.gz GVLILEPJTJJAGF-RYUDHWBXSA-N 1 0 282.344 1.901 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@H]2CCO)c1 ZINC000174855288 379592469 /nfs/dbraw/zinc/59/24/69/379592469.db2.gz HZSNBKSJGBQXSH-NSHDSACASA-N 1 0 268.317 1.028 20 5 CDBDRO CCO[C@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000174872498 379601644 /nfs/dbraw/zinc/60/16/44/379601644.db2.gz MBDKXEFOGFJODJ-OLZOCXBDSA-N 1 0 296.371 1.927 20 5 CDBDRO C[C@@H](O)[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267036256 379604378 /nfs/dbraw/zinc/60/43/78/379604378.db2.gz CEGCWWQPIDATTI-GHMZBOCLSA-N 1 0 268.317 1.027 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000449721246 250984734 /nfs/dbraw/zinc/98/47/34/250984734.db2.gz UAOGFPJQDHXVKD-QWRGUYRKSA-N 1 0 292.339 1.250 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280889817 195016489 /nfs/dbraw/zinc/01/64/89/195016489.db2.gz QAYJYYLBOAYDGK-QMTHXVAHSA-N 1 0 275.308 1.923 20 5 CDBDRO C[NH+](C)CC1(NC(=O)c2ccc([N+](=O)[O-])o2)CCC1 ZINC000280969968 195051634 /nfs/dbraw/zinc/05/16/34/195051634.db2.gz ACPYPOJYFBNMIK-UHFFFAOYSA-N 1 0 267.285 1.402 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000287248142 196814833 /nfs/dbraw/zinc/81/48/33/196814833.db2.gz QRQRSWUJUXESSM-VIFPVBQESA-N 1 0 290.323 1.756 20 5 CDBDRO CCC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000451442315 390620328 /nfs/dbraw/zinc/62/03/28/390620328.db2.gz VJXCRFJCQSKWOM-OLZOCXBDSA-N 1 0 298.387 1.957 20 5 CDBDRO CCO[C@@H]1C[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000451471852 390625606 /nfs/dbraw/zinc/62/56/06/390625606.db2.gz JCQLSFMMWAHKKS-NWDGAFQWSA-N 1 0 294.355 1.729 20 5 CDBDRO CC[C@H](CO)[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451156928 390602466 /nfs/dbraw/zinc/60/24/66/390602466.db2.gz UHIFQCWAIAPCOJ-LLVKDONJSA-N 1 0 295.339 1.544 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCC2(CO)CC2)c1 ZINC000395918533 390665775 /nfs/dbraw/zinc/66/57/75/390665775.db2.gz DKCCINGEZWUPRC-UHFFFAOYSA-N 1 0 250.298 1.847 20 5 CDBDRO Cc1cccc(C(=O)N2CC([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000158398731 390974009 /nfs/dbraw/zinc/97/40/09/390974009.db2.gz GSQPCUKOFIQHCB-UHFFFAOYSA-N 1 0 263.297 1.289 20 5 CDBDRO CCO[C@@H]1C[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000574144007 391064371 /nfs/dbraw/zinc/06/43/71/391064371.db2.gz LEGNXVHMVAZDTE-ZWNOBZJWSA-N 1 0 266.297 1.870 20 5 CDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000517443814 391140832 /nfs/dbraw/zinc/14/08/32/391140832.db2.gz GMLDTOARKNQJLH-JTQLQIEISA-N 1 0 280.328 1.005 20 5 CDBDRO C[C@@H]([N@H+](C)CCn1ccc([N+](=O)[O-])n1)C1(C)CC1 ZINC000177249798 391166802 /nfs/dbraw/zinc/16/68/02/391166802.db2.gz GZNCMIZMVUMQJV-SNVBAGLBSA-N 1 0 252.318 1.912 20 5 CDBDRO Cc1nn(C)c(NCC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000413441645 391214887 /nfs/dbraw/zinc/21/48/87/391214887.db2.gz PXSYZXJPUNXSPO-LLVKDONJSA-N 1 0 281.360 1.781 20 5 CDBDRO CCNC(=O)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344878935 391294632 /nfs/dbraw/zinc/29/46/32/391294632.db2.gz VTYSWULAZYHQQK-XFFZJAGNSA-N 1 0 277.324 1.724 20 5 CDBDRO [NH3+][C@@H]1CC[C@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000262633995 391327294 /nfs/dbraw/zinc/32/72/94/391327294.db2.gz LXKJGYFIHVHGSB-VHSXEESVSA-N 1 0 275.308 1.611 20 5 CDBDRO CN(CC[NH+]1CCCC1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134273139 391419663 /nfs/dbraw/zinc/41/96/63/391419663.db2.gz LYIVQJLBHRUYGJ-UHFFFAOYSA-N 1 0 295.314 1.902 20 5 CDBDRO CCC[NH2+]CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415630905 391470381 /nfs/dbraw/zinc/47/03/81/391470381.db2.gz MCRCVCRVSUVOPX-UHFFFAOYSA-N 1 0 284.291 1.855 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000129146111 391637087 /nfs/dbraw/zinc/63/70/87/391637087.db2.gz XFUISRLVXLLZQS-CMPLNLGQSA-N 1 0 279.340 1.915 20 5 CDBDRO C[C@]1(F)C[NH2+]CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000414772978 391667516 /nfs/dbraw/zinc/66/75/16/391667516.db2.gz VZXJCVOYEMXZGK-ZDUSSCGKSA-N 1 0 267.304 1.728 20 5 CDBDRO COCC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000054353680 391830202 /nfs/dbraw/zinc/83/02/02/391830202.db2.gz HXQOIVFRPXWPLL-UHFFFAOYSA-N 1 0 295.339 1.810 20 5 CDBDRO CC(C)[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1C ZINC000487998536 391942503 /nfs/dbraw/zinc/94/25/03/391942503.db2.gz IJKZYEPBWXXVGJ-GFCCVEGCSA-N 1 0 281.360 1.063 20 5 CDBDRO C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272654796 392183993 /nfs/dbraw/zinc/18/39/93/392183993.db2.gz BARRVQWBJMNHRY-NSHDSACASA-N 1 0 289.335 1.975 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000237089085 131003391 /nfs/dbraw/zinc/00/33/91/131003391.db2.gz OINLWJXCBOWLFJ-NSHDSACASA-N 1 0 293.323 1.184 20 5 CDBDRO C[NH2+]CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000237221381 131014799 /nfs/dbraw/zinc/01/47/99/131014799.db2.gz DELQNAHENSEZKJ-UHFFFAOYSA-N 1 0 265.313 1.253 20 5 CDBDRO Cc1sc(C(=O)N2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000237695686 131053186 /nfs/dbraw/zinc/05/31/86/131053186.db2.gz PEEPEGWPBSKWEP-UHFFFAOYSA-N 1 0 283.353 1.776 20 5 CDBDRO [NH3+]C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000237867257 131061225 /nfs/dbraw/zinc/06/12/25/131061225.db2.gz YGEDARAPCZYKAH-UHFFFAOYSA-N 1 0 297.742 1.740 20 5 CDBDRO [NH3+]CCCCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000238017059 131072891 /nfs/dbraw/zinc/07/28/91/131072891.db2.gz LXLWEAPUNXHFMH-UHFFFAOYSA-N 1 0 294.355 1.642 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261757000 131167090 /nfs/dbraw/zinc/16/70/90/131167090.db2.gz UOCORELXBLAEEB-SMDDNHRTSA-N 1 0 289.335 1.727 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])CCCCC1 ZINC000262250347 131205711 /nfs/dbraw/zinc/20/57/11/131205711.db2.gz SOCVPDOHPPREOE-UHFFFAOYSA-N 1 0 292.339 1.568 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000262279808 131207912 /nfs/dbraw/zinc/20/79/12/131207912.db2.gz WYQRFPOFBCPRSI-NOZJJQNGSA-N 1 0 292.339 1.424 20 5 CDBDRO C[C@@H]1[NH2+]CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000262818665 131264392 /nfs/dbraw/zinc/26/43/92/131264392.db2.gz SDWKOGXBYDWYPB-QWRGUYRKSA-N 1 0 293.323 1.182 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000262840762 131266575 /nfs/dbraw/zinc/26/65/75/131266575.db2.gz RFRNKBGSPNCRAA-JGVFFNPUSA-N 1 0 253.258 1.010 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H](C)[C@H]1C ZINC000419373645 392891422 /nfs/dbraw/zinc/89/14/22/392891422.db2.gz OOBLXJJNJIYRLX-UTLUCORTSA-N 1 0 252.318 1.805 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)N(C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000417851213 392874611 /nfs/dbraw/zinc/87/46/11/392874611.db2.gz NFNNTLXNTZIAHL-MNOVXSKESA-N 1 0 294.355 1.953 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CC[N@@H+]1C ZINC000525103794 392920737 /nfs/dbraw/zinc/92/07/37/392920737.db2.gz QXIMAYQOKBCRQL-ZJUUUORDSA-N 1 0 280.328 1.146 20 5 CDBDRO CC[C@H](NCC[NH2+]CCOC)c1cccc([N+](=O)[O-])c1 ZINC000423314435 392960023 /nfs/dbraw/zinc/96/00/23/392960023.db2.gz HERXCWSUJKCCBY-AWEZNQCLSA-N 1 0 281.356 1.872 20 5 CDBDRO O=C(C[NH2+]CC1CC1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000429726286 393085520 /nfs/dbraw/zinc/08/55/20/393085520.db2.gz PGENXXBSUWWQQE-UHFFFAOYSA-N 1 0 292.339 1.123 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000430231310 393095279 /nfs/dbraw/zinc/09/52/79/393095279.db2.gz BOYFTCBOSPFIBI-QWHCGFSZSA-N 1 0 296.323 1.233 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000430231309 393095626 /nfs/dbraw/zinc/09/56/26/393095626.db2.gz BOYFTCBOSPFIBI-OLZOCXBDSA-N 1 0 296.323 1.233 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000070174848 393102634 /nfs/dbraw/zinc/10/26/34/393102634.db2.gz QNOKQAQDTDEABK-NXEZZACHSA-N 1 0 250.302 1.553 20 5 CDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[NH2+]CC1 ZINC000430963850 393108026 /nfs/dbraw/zinc/10/80/26/393108026.db2.gz WQAVQXMXSFRRJL-LLVKDONJSA-N 1 0 292.339 1.217 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000449582993 393135372 /nfs/dbraw/zinc/13/53/72/393135372.db2.gz AZRXUAVYIKFEOO-RQJHMYQMSA-N 1 0 271.704 1.714 20 5 CDBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])c[nH]1 ZINC000449680519 393137640 /nfs/dbraw/zinc/13/76/40/393137640.db2.gz BYYZLNGYSUISJO-VIFPVBQESA-N 1 0 266.301 1.185 20 5 CDBDRO C[C@H](NC(=O)/C=C\C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000493713386 393218977 /nfs/dbraw/zinc/21/89/77/393218977.db2.gz GYNUPAOIVHNJEF-WYGGZMRJSA-N 1 0 277.324 1.890 20 5 CDBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000185587149 140043481 /nfs/dbraw/zinc/04/34/81/140043481.db2.gz CHYWFAMWGGLKNO-WCFLWFBJSA-N 1 0 282.344 1.273 20 5 CDBDRO CCc1nn(C)c(N2C[C@@H](C[NH3+])C[C@@H]2C)c1[N+](=O)[O-] ZINC000216167065 140161915 /nfs/dbraw/zinc/16/19/15/140161915.db2.gz ANBDWCXUNOEGLF-DTWKUNHWSA-N 1 0 267.333 1.064 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000216133552 140162490 /nfs/dbraw/zinc/16/24/90/140162490.db2.gz LBHRMRPXZCMMIX-VHSXEESVSA-N 1 0 278.312 1.796 20 5 CDBDRO O=C(NCC1=CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000229573908 140202478 /nfs/dbraw/zinc/20/24/78/140202478.db2.gz MBPMVCCKBHZHPO-UHFFFAOYSA-N 1 0 276.296 1.636 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000229584807 140202584 /nfs/dbraw/zinc/20/25/84/140202584.db2.gz VBHOXLRWILEFSW-PELKAZGASA-N 1 0 281.287 1.604 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C[C@@H]21 ZINC000230068570 140206600 /nfs/dbraw/zinc/20/66/00/140206600.db2.gz BXQJZQUOECFVGO-INTQDDNPSA-N 1 0 278.312 1.122 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCC[NH2+]CC1 ZINC000231467540 140216002 /nfs/dbraw/zinc/21/60/02/140216002.db2.gz ZISSNPMSTMMEFQ-SECBINFHSA-N 1 0 283.353 1.870 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]([NH3+])C(C)(C)C)cccc1[N+](=O)[O-] ZINC000231855896 140219516 /nfs/dbraw/zinc/21/95/16/140219516.db2.gz UQNMVJKKFTTZAC-GFCCVEGCSA-N 1 0 279.340 1.893 20 5 CDBDRO [NH3+]C[C@@H](Nc1ncc([N+](=O)[O-])cn1)C1CCCC1 ZINC000236186028 140239375 /nfs/dbraw/zinc/23/93/75/140239375.db2.gz MFEDVOQYJCDDFG-SNVBAGLBSA-N 1 0 251.290 1.314 20 5 CDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000236775328 140244682 /nfs/dbraw/zinc/24/46/82/140244682.db2.gz JDXPMWQIRCCAMY-NSHDSACASA-N 1 0 294.355 1.622 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261586760 140356634 /nfs/dbraw/zinc/35/66/34/140356634.db2.gz JBVUJYHBNJVYGS-JSGCOSHPSA-N 1 0 261.325 1.779 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261588720 140358175 /nfs/dbraw/zinc/35/81/75/140358175.db2.gz KHTZYKKTBMVUDZ-WCQYABFASA-N 1 0 261.325 1.779 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000261609067 140363898 /nfs/dbraw/zinc/36/38/98/140363898.db2.gz RZPQLVJZJSHBRK-ZDUSSCGKSA-N 1 0 263.297 1.406 20 5 CDBDRO COc1cc(-c2nc(C3([NH3+])CCC3)no2)ccc1[N+](=O)[O-] ZINC000261655184 140370959 /nfs/dbraw/zinc/37/09/59/140370959.db2.gz FEQSMLGVFYZWPF-UHFFFAOYSA-N 1 0 290.279 1.991 20 5 CDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H]2C)cc1[N+](=O)[O-] ZINC000261674650 140372780 /nfs/dbraw/zinc/37/27/80/140372780.db2.gz GGGVSLASLBEWIG-MWLCHTKSSA-N 1 0 299.352 1.013 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H](C[NH2+]C)C1 ZINC000261732313 140381032 /nfs/dbraw/zinc/38/10/32/140381032.db2.gz LHMWEIKYVHZWJM-NSHDSACASA-N 1 0 281.360 1.555 20 5 CDBDRO COCC1(CNc2ncccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000261832184 140395795 /nfs/dbraw/zinc/39/57/95/140395795.db2.gz UTUODDBONKNEER-UHFFFAOYSA-N 1 0 280.328 1.418 20 5 CDBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](C2CCOCC2)CC1 ZINC000377945382 296514673 /nfs/dbraw/zinc/51/46/73/296514673.db2.gz JOFIEGUYEVQDFZ-UHFFFAOYSA-N 1 0 291.351 1.896 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N(C)CC(C)(C)C[NH3+] ZINC000093874578 147071821 /nfs/dbraw/zinc/07/18/21/147071821.db2.gz LZFYLUNVTKGJGI-UHFFFAOYSA-N 1 0 269.349 1.541 20 5 CDBDRO CCOC[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176244503 148030784 /nfs/dbraw/zinc/03/07/84/148030784.db2.gz KULAULUMFGQBON-LBPRGKRZSA-N 1 0 282.344 1.540 20 5 CDBDRO CCCN(CC[NH+](C)C)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000343064009 152017681 /nfs/dbraw/zinc/01/76/81/152017681.db2.gz XBAWSWKWFDJPJH-UHFFFAOYSA-N 1 0 283.332 1.040 20 5 CDBDRO C[C@@H]1[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343513255 152207281 /nfs/dbraw/zinc/20/72/81/152207281.db2.gz JXDQLFAQLSPFKN-RNCFNFMXSA-N 1 0 295.314 1.946 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)c1 ZINC000344035331 152397451 /nfs/dbraw/zinc/39/74/51/152397451.db2.gz RQTHRSFYZGEZFK-CQDKDKBSSA-N 1 0 292.335 1.676 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000353313095 155779957 /nfs/dbraw/zinc/77/99/57/155779957.db2.gz MDQVFWXTHUTRBU-UHFFFAOYSA-N 1 0 295.339 1.675 20 5 CDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000353995273 156211036 /nfs/dbraw/zinc/21/10/36/156211036.db2.gz HCQOOEMTUMBDFD-LBPRGKRZSA-N 1 0 291.351 1.690 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)C[NH+](C)C ZINC000355722578 157203075 /nfs/dbraw/zinc/20/30/75/157203075.db2.gz CLRGLLUHOPDBBR-JTQLQIEISA-N 1 0 295.339 1.531 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2COCCO2)cc1[N+](=O)[O-] ZINC000038060681 174071483 /nfs/dbraw/zinc/07/14/83/174071483.db2.gz SHMTVRIEENEFSZ-AAEUAGOBSA-N 1 0 280.324 1.969 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040740689 174390669 /nfs/dbraw/zinc/39/06/69/174390669.db2.gz GXHJTIFBNKVNET-FUNVUKJBSA-N 1 0 289.335 1.537 20 5 CDBDRO O=C(CC[C@H]1CCC[NH2+]C1)NCc1ccc([N+](=O)[O-])cc1 ZINC000043588853 175073198 /nfs/dbraw/zinc/07/31/98/175073198.db2.gz BEYJLZZUCQQZAD-GFCCVEGCSA-N 1 0 291.351 1.991 20 5 CDBDRO CC[NH2+]CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000044649648 175224237 /nfs/dbraw/zinc/22/42/37/175224237.db2.gz UVPIGCCSWQKRGO-SECBINFHSA-N 1 0 251.286 1.382 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000071142760 176040655 /nfs/dbraw/zinc/04/06/55/176040655.db2.gz HMRPJSVSRWGCCW-VIFPVBQESA-N 1 0 281.287 1.415 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000071143843 176041235 /nfs/dbraw/zinc/04/12/35/176041235.db2.gz TWWBQCXGMQXJTM-GFCCVEGCSA-N 1 0 277.324 1.205 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000313266680 260274136 /nfs/dbraw/zinc/27/41/36/260274136.db2.gz IRBXMPCMMMHUQO-DEBLGDTFSA-N 1 0 289.335 1.818 20 5 CDBDRO Cc1cccc(NC[C@H]2C[NH2+]CCN2C)c1[N+](=O)[O-] ZINC000394750614 270338743 /nfs/dbraw/zinc/33/87/43/270338743.db2.gz SQHWOONYTKOCDZ-LLVKDONJSA-N 1 0 264.329 1.219 20 5 CDBDRO C[NH2+][C@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000234478985 273974938 /nfs/dbraw/zinc/97/49/38/273974938.db2.gz OVJQBDOSCZAWPB-ZETCQYMHSA-N 1 0 290.245 1.807 20 5 CDBDRO C[C@@H]1C[C@@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000420593441 274394690 /nfs/dbraw/zinc/39/46/90/274394690.db2.gz BWEMLTARKDDWEV-ZJUUUORDSA-N 1 0 292.339 1.588 20 5 CDBDRO Cc1cc(N2CC[NH2+]C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000420218009 274708922 /nfs/dbraw/zinc/70/89/22/274708922.db2.gz KOFJLUZUFDUYOT-VIFPVBQESA-N 1 0 253.277 1.840 20 5 CDBDRO [NH3+][C@@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000420142726 274958790 /nfs/dbraw/zinc/95/87/90/274958790.db2.gz IXLKJZXRGYWRKF-MRVPVSSYSA-N 1 0 259.269 1.075 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000367155060 275040842 /nfs/dbraw/zinc/04/08/42/275040842.db2.gz ZVULRAINDACEJY-SECBINFHSA-N 1 0 268.342 1.726 20 5 CDBDRO CC(C)([NH3+])CNc1nc2sccn2c1[N+](=O)[O-] ZINC000096470223 275552220 /nfs/dbraw/zinc/55/22/20/275552220.db2.gz GCMUTDUIKJKTNJ-UHFFFAOYSA-N 1 0 255.303 1.453 20 5 CDBDRO CC[N@@H+]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000267194699 276165106 /nfs/dbraw/zinc/16/51/06/276165106.db2.gz HZNFFHXWKAMGCW-UHFFFAOYSA-N 1 0 292.339 1.226 20 5 CDBDRO CC[NH2+]CC1CCN(c2c([N+](=O)[O-])c(CC)nn2C)CC1 ZINC000130008977 276264517 /nfs/dbraw/zinc/26/45/17/276264517.db2.gz KWVWLEUCNRFWEJ-UHFFFAOYSA-N 1 0 295.387 1.717 20 5 CDBDRO CCOc1cc(C(=O)N[C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000262527641 276368817 /nfs/dbraw/zinc/36/88/17/276368817.db2.gz LYFPGSKYVVNUFL-QMMMGPOBSA-N 1 0 297.311 1.079 20 5 CDBDRO COCC[C@@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000281114909 277235526 /nfs/dbraw/zinc/23/55/26/277235526.db2.gz ADXTYJWDBVZDQN-JQWIXIFHSA-N 1 0 268.313 1.643 20 5 CDBDRO COCC[C@H](CO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449302172 277239717 /nfs/dbraw/zinc/23/97/17/277239717.db2.gz JKLOATFKWQOLHT-DGCLKSJQSA-N 1 0 282.340 1.513 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000430586962 277285640 /nfs/dbraw/zinc/28/56/40/277285640.db2.gz ULZFEQAQABWGNN-CYBMUJFWSA-N 1 0 279.340 1.657 20 5 CDBDRO C[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc([N+](=O)[O-])cc1 ZINC000453418674 277622194 /nfs/dbraw/zinc/62/21/94/277622194.db2.gz YQIRXOGIQVWHKN-QMTHXVAHSA-N 1 0 277.324 1.914 20 5 CDBDRO COc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000227860679 277828018 /nfs/dbraw/zinc/82/80/18/277828018.db2.gz DSHNLLXSBQIZQD-DTORHVGOSA-N 1 0 281.287 1.398 20 5 CDBDRO C[C@H](CCO)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331005668 278175024 /nfs/dbraw/zinc/17/50/24/278175024.db2.gz LKZJXCIQLIBGDB-GRYCIOLGSA-N 1 0 282.344 1.636 20 5 CDBDRO C[C@@H](C[NH+]1CCCCC1)Nc1c([N+](=O)[O-])ncn1C ZINC000029623926 278254265 /nfs/dbraw/zinc/25/42/65/278254265.db2.gz IHDXZSPOMBTKKW-JTQLQIEISA-N 1 0 267.333 1.615 20 5 CDBDRO C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094342462 278802357 /nfs/dbraw/zinc/80/23/57/278802357.db2.gz JRNUASKNQIOYMR-SCZZXKLOSA-N 1 0 253.277 1.907 20 5 CDBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000191648263 279239277 /nfs/dbraw/zinc/23/92/77/279239277.db2.gz CHDGSJHBKKZTIK-AWEZNQCLSA-N 1 0 296.371 1.664 20 5 CDBDRO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C ZINC000090551669 279279271 /nfs/dbraw/zinc/27/92/71/279279271.db2.gz SVCGOLMPXGARML-GHMZBOCLSA-N 1 0 265.313 1.487 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000237333387 280171829 /nfs/dbraw/zinc/17/18/29/280171829.db2.gz WZJPJGOHLWVDPK-MRVPVSSYSA-N 1 0 291.311 1.056 20 5 CDBDRO Cc1c(NC(=O)N2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000332246494 280243086 /nfs/dbraw/zinc/24/30/86/280243086.db2.gz BIUHUFLGNNGYMR-UHFFFAOYSA-N 1 0 278.312 1.730 20 5 CDBDRO Cc1cc(C(=O)N(C)[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000058233581 280320510 /nfs/dbraw/zinc/32/05/10/280320510.db2.gz OVAJHOSORUCOPL-LLVKDONJSA-N 1 0 263.297 1.337 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[C@H](N[C@H]1CC[NH2+]C1)C1CC1 ZINC000423205320 280374915 /nfs/dbraw/zinc/37/49/15/280374915.db2.gz PCWROVYDNIAUID-KBPBESRZSA-N 1 0 275.352 1.867 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000163994389 281013618 /nfs/dbraw/zinc/01/36/18/281013618.db2.gz ZFGJLGOHOUGJQT-GXSJLCMTSA-N 1 0 264.329 1.719 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)[NH3+] ZINC000129615293 281257803 /nfs/dbraw/zinc/25/78/03/281257803.db2.gz LTEQIBVNRZZXBQ-UHFFFAOYSA-N 1 0 251.286 1.370 20 5 CDBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000352887053 290126290 /nfs/dbraw/zinc/12/62/90/290126290.db2.gz IXYXDCQZJWYUOV-RYUDHWBXSA-N 1 0 296.371 1.844 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000555127257 290204618 /nfs/dbraw/zinc/20/46/18/290204618.db2.gz NTVLGAYWQRDVFP-JTQLQIEISA-N 1 0 282.344 1.392 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000562743639 293189321 /nfs/dbraw/zinc/18/93/21/293189321.db2.gz GPLAAKSCMSFIRG-NSHDSACASA-N 1 0 278.312 1.729 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000565352679 293596611 /nfs/dbraw/zinc/59/66/11/293596611.db2.gz MZABZCJJPMJWPE-CMPLNLGQSA-N 1 0 292.339 1.474 20 5 CDBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000568625218 294070517 /nfs/dbraw/zinc/07/05/17/294070517.db2.gz YRQGBFQFLUZWNT-YGRLFVJLSA-N 1 0 289.335 1.478 20 5 CDBDRO COCC[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569109608 294159150 /nfs/dbraw/zinc/15/91/50/294159150.db2.gz AKBVRJODQHQODY-RYUDHWBXSA-N 1 0 298.339 1.349 20 5 CDBDRO COCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000570420126 294236663 /nfs/dbraw/zinc/23/66/63/294236663.db2.gz SUJNWWHOHFRIEI-UHFFFAOYSA-N 1 0 280.324 1.880 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000571254418 294395674 /nfs/dbraw/zinc/39/56/74/294395674.db2.gz HYTXORXIAVSQPL-LBPRGKRZSA-N 1 0 293.323 1.474 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000571779497 294505671 /nfs/dbraw/zinc/50/56/71/294505671.db2.gz LWIILKLAFMGFGX-NWDGAFQWSA-N 1 0 276.340 1.816 20 5 CDBDRO CO[C@@H](C)[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572476908 294628793 /nfs/dbraw/zinc/62/87/93/294628793.db2.gz RIQZVZDPKFEEPM-GRYCIOLGSA-N 1 0 298.339 1.348 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@H]1CC[NH2+]C1 ZINC000572524503 294640768 /nfs/dbraw/zinc/64/07/68/294640768.db2.gz UJHRRWBGHRFANC-NSHDSACASA-N 1 0 292.339 1.135 20 5 CDBDRO COc1cc(C[NH2+][C@H]2CO[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000574277714 294976049 /nfs/dbraw/zinc/97/60/49/294976049.db2.gz ZLSMKBSWUWXJIN-MWLCHTKSSA-N 1 0 296.323 1.879 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC2(C1)CC[NH2+]CC2 ZINC000261765379 304568328 /nfs/dbraw/zinc/56/83/28/304568328.db2.gz ROVGDKABTHDDNM-UHFFFAOYSA-N 1 0 289.335 1.811 20 5 CDBDRO NC(=O)c1ccc(N2CCCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000044559632 303420176 /nfs/dbraw/zinc/42/01/76/303420176.db2.gz VAOJGGLCQSEDBY-SNVBAGLBSA-N 1 0 278.312 1.011 20 5 CDBDRO CNc1ccc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000576561700 317161069 /nfs/dbraw/zinc/16/10/69/317161069.db2.gz ZWWWWKBXRYKZFM-ONGXEEELSA-N 1 0 292.339 1.588 20 5 CDBDRO CS(=O)(=O)CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576648632 317181599 /nfs/dbraw/zinc/18/15/99/317181599.db2.gz RCJFUHFLCOPOAS-GFCCVEGCSA-N 1 0 298.364 1.606 20 5 CDBDRO C[C@H](C(=O)NCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000184737766 323371714 /nfs/dbraw/zinc/37/17/14/323371714.db2.gz UMWLUXRZLGKNKY-VIFPVBQESA-N 1 0 283.303 1.515 20 5 CDBDRO C[C@@H](C[S@@](C)=O)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000185122203 323383214 /nfs/dbraw/zinc/38/32/14/323383214.db2.gz KSGJAMAUXNEQMV-JEOXALJRSA-N 1 0 284.381 1.836 20 5 CDBDRO [NH3+]C1(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000379762372 323606095 /nfs/dbraw/zinc/60/60/95/323606095.db2.gz BKTOJZXWAHLQMU-DAXSKMNVSA-N 1 0 275.308 1.606 20 5 CDBDRO Cc1c(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000382452973 323641661 /nfs/dbraw/zinc/64/16/61/323641661.db2.gz OHEHJEHCMNOJHJ-QWRGUYRKSA-N 1 0 277.324 1.760 20 5 CDBDRO CNC(=O)CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581083395 324648402 /nfs/dbraw/zinc/64/84/02/324648402.db2.gz YBSINSSSKUFXBA-GFCCVEGCSA-N 1 0 277.324 1.698 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000582667416 325020501 /nfs/dbraw/zinc/02/05/01/325020501.db2.gz NQFYNGMFIGIPTK-NXEZZACHSA-N 1 0 281.312 1.216 20 5 CDBDRO COC[C@@H](C)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000584167688 327055032 /nfs/dbraw/zinc/05/50/32/327055032.db2.gz DGXXTELXRFRFDO-WCQYABFASA-N 1 0 298.339 1.207 20 5 CDBDRO CCN(C(=O)c1csc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000037563268 1159615778 /nfs/dbraw/zinc/61/57/78/1159615778.db2.gz YFKVZLHXPGHARO-UHFFFAOYSA-N 1 0 283.353 1.870 20 5 CDBDRO Cc1cc(N2CC(O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228484569 518187448 /nfs/dbraw/zinc/18/74/48/518187448.db2.gz RSDDJSYPLHNKKM-UHFFFAOYSA-N 1 0 259.265 1.632 20 5 CDBDRO CCOc1ccc(C(=O)N2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000236896380 520894185 /nfs/dbraw/zinc/89/41/85/520894185.db2.gz HWSAWXLUIGWWDI-UHFFFAOYSA-N 1 0 293.323 1.557 20 5 CDBDRO CO[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000226413432 523690088 /nfs/dbraw/zinc/69/00/88/523690088.db2.gz HHSSWDWAWXAFCS-GHMZBOCLSA-N 1 0 285.369 1.594 20 5 CDBDRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196791 524077898 /nfs/dbraw/zinc/07/78/98/524077898.db2.gz GDJVQJGXFHMXIH-RKDXNWHRSA-N 1 0 294.311 1.090 20 5 CDBDRO Cc1ccc(CNC[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358166583 524580005 /nfs/dbraw/zinc/58/00/05/524580005.db2.gz MKCWSXLGISTMHH-AWEZNQCLSA-N 1 0 279.340 1.059 20 5 CDBDRO C[C@H]1C[NH2+]CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000067801339 524691895 /nfs/dbraw/zinc/69/18/95/524691895.db2.gz XPUSVWSKZOLAHP-NSHDSACASA-N 1 0 265.313 1.267 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000163544020 526071112 /nfs/dbraw/zinc/07/11/12/526071112.db2.gz ZVOQCMNKKHRHBW-JQWIXIFHSA-N 1 0 291.351 1.960 20 5 CDBDRO O=C(NCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000054794377 526307265 /nfs/dbraw/zinc/30/72/65/526307265.db2.gz WOQOPFMAXYVBRE-UHFFFAOYSA-N 1 0 295.314 1.950 20 5 CDBDRO O=[N+]([O-])c1cnc(NCCC[NH+]2CCCC2)nc1 ZINC000062075878 527409374 /nfs/dbraw/zinc/40/93/74/527409374.db2.gz JGNZFQULSONYMD-UHFFFAOYSA-N 1 0 251.290 1.283 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000261760847 535968515 /nfs/dbraw/zinc/96/85/15/535968515.db2.gz NRJHYBMIRKFJLC-KOLCDFICSA-N 1 0 281.360 1.541 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000261596498 535968569 /nfs/dbraw/zinc/96/85/69/535968569.db2.gz ORCIDYHNZCLQQY-SCZZXKLOSA-N 1 0 267.333 1.293 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC1([NH3+])CCC1 ZINC000261576733 535970470 /nfs/dbraw/zinc/97/04/70/535970470.db2.gz NWOWDSVBFRPXCE-UHFFFAOYSA-N 1 0 253.306 1.413 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000415510496 536887176 /nfs/dbraw/zinc/88/71/76/536887176.db2.gz ZEJMMVQLDDMLHS-SECBINFHSA-N 1 0 294.311 1.429 20 5 CDBDRO [NH3+]CCOCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000093229048 738898602 /nfs/dbraw/zinc/89/86/02/738898602.db2.gz JMEKFIKAEDNAMN-UHFFFAOYSA-N 1 0 264.241 1.120 20 5 CDBDRO COCC1([N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000761102425 576548807 /nfs/dbraw/zinc/54/88/07/576548807.db2.gz RGUQXNANZIUYCR-CYBMUJFWSA-N 1 0 280.324 1.739 20 5 CDBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000890880967 617344688 /nfs/dbraw/zinc/34/46/88/617344688.db2.gz JKJUFJIBXLPACN-UHFFFAOYSA-N 1 0 287.404 1.868 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N1CC[NH+](C2CCC2)CC1 ZINC000892517935 617471487 /nfs/dbraw/zinc/47/14/87/617471487.db2.gz VCYPJQSHYXAKNW-UHFFFAOYSA-N 1 0 292.339 1.673 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N[C@@H](C)CC[NH+](C)C ZINC000892084779 617472175 /nfs/dbraw/zinc/47/21/75/617472175.db2.gz DAVBFUVLMWFCFG-VIFPVBQESA-N 1 0 268.317 1.751 20 5 CDBDRO CNC(=O)c1ccc(N2CC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000132438015 617780058 /nfs/dbraw/zinc/78/00/58/617780058.db2.gz XTMIRHDXOQBWKF-KOLCDFICSA-N 1 0 292.339 1.128 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC[C@H](C1CC1)[NH+](C)C ZINC000892346452 617967374 /nfs/dbraw/zinc/96/73/74/617967374.db2.gz ZJLUVDGFDGWMBZ-SECBINFHSA-N 1 0 253.306 1.080 20 5 CDBDRO C[N@@H+]1C[C@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000893938222 618200351 /nfs/dbraw/zinc/20/03/51/618200351.db2.gz CIZJBCQRTWCXRB-KCJUWKMLSA-N 1 0 282.731 1.784 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000894489271 618915589 /nfs/dbraw/zinc/91/55/89/618915589.db2.gz UWNYZRMONGZAQI-VIFPVBQESA-N 1 0 267.333 1.613 20 5 CDBDRO C[C@@H]([NH2+]C1CCN(C=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903288248 625963663 /nfs/dbraw/zinc/96/36/63/625963663.db2.gz VDFXESODMPVQEI-LLVKDONJSA-N 1 0 277.324 1.866 20 5 CDBDRO COc1ccc(CN2CC[C@@H]3CC[C@]32C[NH3+])cc1[N+](=O)[O-] ZINC000903858663 626119598 /nfs/dbraw/zinc/11/95/98/626119598.db2.gz XQFMEOBJKIMUGO-WFASDCNBSA-N 1 0 291.351 1.917 20 5 CDBDRO CC(C)[NH2+]Cc1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000905057615 626607488 /nfs/dbraw/zinc/60/74/88/626607488.db2.gz SRGQVHHFYJRHKY-UHFFFAOYSA-N 1 0 262.273 1.069 20 5 CDBDRO O=[N+]([O-])CCNC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000905074992 626618116 /nfs/dbraw/zinc/61/81/16/626618116.db2.gz HTSDLRXBCAJOCB-LBPRGKRZSA-N 1 0 283.397 1.826 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNCC[N+](=O)[O-])[C@H]1c1cccs1 ZINC000905133067 626647349 /nfs/dbraw/zinc/64/73/49/626647349.db2.gz OTWUDNPJIBABAE-YPMHNXCESA-N 1 0 283.397 1.997 20 5 CDBDRO C[C@H](CN(C)Cc1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000905198910 626687446 /nfs/dbraw/zinc/68/74/46/626687446.db2.gz CLBVDPKWBSQNHH-GFCCVEGCSA-N 1 0 251.330 1.373 20 5 CDBDRO CCC[C@H]([NH2+]CC[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000905360382 626769908 /nfs/dbraw/zinc/76/99/08/626769908.db2.gz MZWMNPDKYJHBMM-QWHCGFSZSA-N 1 0 252.314 1.755 20 5 CDBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])[C@H](O)c1c(F)cccc1F ZINC000905364100 626783950 /nfs/dbraw/zinc/78/39/50/626783950.db2.gz HIAKMBKQENBSED-JQWIXIFHSA-N 1 0 274.267 1.643 20 5 CDBDRO C[C@H](O)[C@@](C)(C[NH2+]CC[N+](=O)[O-])Cc1ccccc1 ZINC000905366030 626785421 /nfs/dbraw/zinc/78/54/21/626785421.db2.gz SCVWGDJELLLTFB-GXTWGEPZSA-N 1 0 266.341 1.483 20 5 CDBDRO COc1cc(CN[C@H]2C[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000906508719 627296550 /nfs/dbraw/zinc/29/65/50/627296550.db2.gz WOQVIQABECAGFV-MGCOHNPYSA-N 1 0 281.312 1.191 20 5 CDBDRO CON1CCC([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000925381939 630707720 /nfs/dbraw/zinc/70/77/20/630707720.db2.gz GBRYHIBXPBMWRE-UHFFFAOYSA-N 1 0 295.339 1.589 20 5 CDBDRO Cc1nc(NC2CCC([NH3+])CC2)ncc1[N+](=O)[O-] ZINC001772503833 1158455337 /nfs/dbraw/zinc/45/53/37/1158455337.db2.gz JKYONDFDLBKVSR-UHFFFAOYSA-N 1 0 251.290 1.375 20 5 CDBDRO Cc1nc(Cl)nc(N2CC[C@@](F)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001157808041 1162438726 /nfs/dbraw/zinc/43/87/26/1162438726.db2.gz CMAWOINRROWGOD-SNVBAGLBSA-N 1 0 289.698 1.224 20 5 CDBDRO Cc1c(F)cnc(N[C@H](C)[C@@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001170564324 1162929248 /nfs/dbraw/zinc/92/92/48/1162929248.db2.gz PWPQHAQZMQHNCC-SCZZXKLOSA-N 1 0 284.291 1.226 20 5 CDBDRO O=C(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168966590 1161995779 /nfs/dbraw/zinc/99/57/79/1161995779.db2.gz JPJNNALBVSIREE-WCQYABFASA-N 1 0 262.309 1.904 20 5 CDBDRO CC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168998574 1161996900 /nfs/dbraw/zinc/99/69/00/1161996900.db2.gz OSMZYOSZJXFKJI-XUXIUFHCSA-N 1 0 283.372 1.469 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)CC[NH3+] ZINC000876796980 1165917143 /nfs/dbraw/zinc/91/71/43/1165917143.db2.gz PZWRQXBPXPQCOT-VIFPVBQESA-N 1 0 265.313 1.679 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC1=CC[NH2+]CC1 ZINC000876809755 1165921196 /nfs/dbraw/zinc/92/11/96/1165921196.db2.gz IXSMVYOLOYYZQS-UHFFFAOYSA-N 1 0 289.335 1.861 20 5 CDBDRO Cc1nc(N[C@@]23CCC[C@@H]2[NH2+]CC3)ncc1[N+](=O)[O-] ZINC001155411088 1167163295 /nfs/dbraw/zinc/16/32/95/1167163295.db2.gz SOXRXWLBZONXQY-CMPLNLGQSA-N 1 0 263.301 1.390 20 5 CDBDRO CCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000058233958 1167219985 /nfs/dbraw/zinc/21/99/85/1167219985.db2.gz IERQTFHDHCPFMY-LBPRGKRZSA-N 1 0 263.297 1.419 20 5 CDBDRO COc1cc(C)nc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c1[N+](=O)[O-] ZINC001155584204 1167243004 /nfs/dbraw/zinc/24/30/04/1167243004.db2.gz WLFNMDIGEACAFM-VWYCJHECSA-N 1 0 292.339 1.717 20 5 CDBDRO CCOc1nc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)ccc1[N+](=O)[O-] ZINC001155585594 1167243083 /nfs/dbraw/zinc/24/30/83/1167243083.db2.gz BWKSVVNRZPZXII-VWYCJHECSA-N 1 0 292.339 1.798 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001575955733 1171303866 /nfs/dbraw/zinc/30/38/66/1171303866.db2.gz PQRPFEAZBZSQQO-LURJTMIESA-N 1 0 286.719 1.298 20 5 CDBDRO CCN(C(=O)c1cc([N+](=O)[O-])ccc1OC)[C@H]1CC[NH2+]C1 ZINC001577644023 1171712337 /nfs/dbraw/zinc/71/23/37/1171712337.db2.gz WNYLBHGRWKYZKH-NSHDSACASA-N 1 0 293.323 1.427 20 5 CDBDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC001578948896 1172058105 /nfs/dbraw/zinc/05/81/05/1172058105.db2.gz QRGNJULIGJRICX-SMDDNHRTSA-N 1 0 293.323 1.609 20 5 CDBDRO C[C@@H](CNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-])[NH+](C)C ZINC001589877255 1173192843 /nfs/dbraw/zinc/19/28/43/1173192843.db2.gz VRRFROBYMHJMPU-QMMMGPOBSA-N 1 0 291.315 1.137 20 5 CDBDRO CN(CC1CC[NH2+]CC1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000094022118 1174458533 /nfs/dbraw/zinc/45/85/33/1174458533.db2.gz DZOKNPVTHFRBOV-UHFFFAOYSA-N 1 0 295.314 1.806 20 5 CDBDRO C[C@@H]1C[C@H](C)[N@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603847627 1175652831 /nfs/dbraw/zinc/65/28/31/1175652831.db2.gz RMYMWCZIXVXRDF-DTORHVGOSA-N 1 0 288.311 1.758 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229099246 1175768784 /nfs/dbraw/zinc/76/87/84/1175768784.db2.gz QBVVPJXHTNCLDN-ONGXEEELSA-N 1 0 281.360 1.541 20 5 CDBDRO COc1cc(CO[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000164184953 1180626287 /nfs/dbraw/zinc/62/62/87/1180626287.db2.gz GXVADDCDVSJZIX-LBPRGKRZSA-N 1 0 266.297 1.872 20 5 CDBDRO COc1cnc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001164631840 719191856 /nfs/dbraw/zinc/19/18/56/719191856.db2.gz CMNLFPRZJSEXPP-ZJUUUORDSA-N 1 0 280.328 1.527 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N(C)CC2CC[NH+](C)CC2)n1 ZINC001165041377 721933443 /nfs/dbraw/zinc/93/34/43/721933443.db2.gz SQFKNTUXFORLRB-UHFFFAOYSA-N 1 0 279.344 1.471 20 5 CDBDRO [NH3+]CCCCCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000700464724 739437669 /nfs/dbraw/zinc/43/76/69/739437669.db2.gz QUAGTRYDXMPQTC-UHFFFAOYSA-N 1 0 265.313 1.844 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923330294 739455727 /nfs/dbraw/zinc/45/57/27/739455727.db2.gz BOYQKPOOMFZVHP-ZKYQVNSYSA-N 1 0 279.340 1.297 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)C2CC2)cc1F ZINC000801539192 739830646 /nfs/dbraw/zinc/83/06/46/739830646.db2.gz CQVXGMUBRIFJMJ-NSHDSACASA-N 1 0 254.261 1.594 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNc1ccnc(F)c1[N+](=O)[O-] ZINC000882958598 739833998 /nfs/dbraw/zinc/83/39/98/739833998.db2.gz FOGFQHOUQOOFLG-QMMMGPOBSA-N 1 0 254.265 1.635 20 5 CDBDRO C[C@@H]1COC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000932499690 739876787 /nfs/dbraw/zinc/87/67/87/739876787.db2.gz JRPIHAUJMGGSJK-MNOVXSKESA-N 1 0 266.297 1.598 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2Cc1cccnc1[N+](=O)[O-] ZINC000886315247 739949379 /nfs/dbraw/zinc/94/93/79/739949379.db2.gz CKKGKSRGXLGSGP-CHWSQXEVSA-N 1 0 276.340 1.658 20 5 CDBDRO Nc1ccc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000825188323 739995584 /nfs/dbraw/zinc/99/55/84/739995584.db2.gz JAWCEPCICYODSF-PSASIEDQSA-N 1 0 278.312 1.034 20 5 CDBDRO C[C@H]1CCCN(Cc2cccnc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000886839463 740016809 /nfs/dbraw/zinc/01/68/09/740016809.db2.gz FLXRKJLJHKZTNV-AAEUAGOBSA-N 1 0 278.356 1.939 20 5 CDBDRO Cc1c([C@@H](C)[NH2+]CCN2CCNC2=O)cccc1[N+](=O)[O-] ZINC000886743043 740094284 /nfs/dbraw/zinc/09/42/84/740094284.db2.gz RQUNCICVXZTKBI-LLVKDONJSA-N 1 0 292.339 1.579 20 5 CDBDRO [NH2+]=C(NCCc1ccccc1[N+](=O)[O-])NCC(F)F ZINC000887355359 740100185 /nfs/dbraw/zinc/10/01/85/740100185.db2.gz MXCWORWWQTVSMV-UHFFFAOYSA-N 1 0 272.255 1.516 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877394372 740126643 /nfs/dbraw/zinc/12/66/43/740126643.db2.gz VMCRTNQORVZRTO-DZGCQCFKSA-N 1 0 289.335 1.918 20 5 CDBDRO CO[C@H](C)C[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796642020 740059260 /nfs/dbraw/zinc/05/92/60/740059260.db2.gz WFMOGVMOZCJAKQ-MFKMUULPSA-N 1 0 268.313 1.595 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000882477185 740227470 /nfs/dbraw/zinc/22/74/70/740227470.db2.gz IJBWSKYTXQTJCL-NSHDSACASA-N 1 0 277.324 1.727 20 5 CDBDRO Cc1c(NC(=O)CCN(C)C[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000863569063 740235486 /nfs/dbraw/zinc/23/54/86/740235486.db2.gz PLJDIJKUWOEBNO-JTQLQIEISA-N 1 0 294.355 1.511 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@](F)(CO)C2)cc1 ZINC000802014194 740290497 /nfs/dbraw/zinc/29/04/97/740290497.db2.gz JUDDLFGWBRGDSZ-QWHCGFSZSA-N 1 0 284.287 1.035 20 5 CDBDRO C[C@@H](CN1CCOCC1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000036932580 740493358 /nfs/dbraw/zinc/49/33/58/740493358.db2.gz GIAXIRQPSYMGSM-LBPRGKRZSA-N 1 0 279.340 1.405 20 5 CDBDRO O=[N+]([O-])c1c(NCC[N@H+]2CC=CCC2)nc2ccccn21 ZINC000795253553 740494811 /nfs/dbraw/zinc/49/48/11/740494811.db2.gz XQEDDDGQNQECAJ-UHFFFAOYSA-N 1 0 287.323 1.916 20 5 CDBDRO Cc1ccc(CNC(=O)[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000870961873 740662660 /nfs/dbraw/zinc/66/26/60/740662660.db2.gz HNGIBLAWNJWZHA-GFCCVEGCSA-N 1 0 265.313 1.503 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CC[C@H]2O)c1 ZINC000818230945 740802570 /nfs/dbraw/zinc/80/25/70/740802570.db2.gz JZGCIJZJNRBMQH-GHMZBOCLSA-N 1 0 256.689 1.861 20 5 CDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cn1nccc1[N+](=O)[O-] ZINC000795700776 740745907 /nfs/dbraw/zinc/74/59/07/740745907.db2.gz LKJQXWRSSMJOCJ-NEPJUHHUSA-N 1 0 279.344 1.307 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCCCCO)c1 ZINC000843063134 740843392 /nfs/dbraw/zinc/84/33/92/740843392.db2.gz WKQHYLGHKXNRFT-CQSZACIVSA-N 1 0 282.340 1.771 20 5 CDBDRO C[C@H]1COC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000932503177 740851419 /nfs/dbraw/zinc/85/14/19/740851419.db2.gz ZFBZCXPKMDWJPX-KWQFWETISA-N 1 0 254.261 1.858 20 5 CDBDRO C[C@H](N[C@@H]1C[NH2+]CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000925673940 740896719 /nfs/dbraw/zinc/89/67/19/740896719.db2.gz FJXURKPLMXPZFG-CMPLNLGQSA-N 1 0 265.313 1.234 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2C=C[C@H](CO)C2)c1 ZINC000843079935 740922353 /nfs/dbraw/zinc/92/23/53/740922353.db2.gz NXJKNFRWHJBKHX-SUHUHFCYSA-N 1 0 278.308 1.155 20 5 CDBDRO C[C@@H]([NH3+])CN(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000311021170 740957689 /nfs/dbraw/zinc/95/76/89/740957689.db2.gz OESQUGXECXENMF-SSDOTTSWSA-N 1 0 255.249 1.153 20 5 CDBDRO CC(C)(Cn1cc([C@@H]([NH3+])c2ccccc2)nn1)[N+](=O)[O-] ZINC000864642291 741002245 /nfs/dbraw/zinc/00/22/45/741002245.db2.gz LWXTXLKOOCPDOO-LBPRGKRZSA-N 1 0 275.312 1.382 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000882477183 741196249 /nfs/dbraw/zinc/19/62/49/741196249.db2.gz IJBWSKYTXQTJCL-LLVKDONJSA-N 1 0 277.324 1.727 20 5 CDBDRO C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000088060185 741101233 /nfs/dbraw/zinc/10/12/33/741101233.db2.gz RHUDMEGMQWJNBA-SECBINFHSA-N 1 0 253.277 1.528 20 5 CDBDRO CC1([NH+]2CCC2)CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000882962027 741117819 /nfs/dbraw/zinc/11/78/19/741117819.db2.gz DZQQVYIBESSHPM-UHFFFAOYSA-N 1 0 292.339 1.760 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCCC[C@H]2CO)c1 ZINC000847016594 741321194 /nfs/dbraw/zinc/32/11/94/741321194.db2.gz LQNNPKZKMQHJNP-GJZGRUSLSA-N 1 0 294.351 1.865 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000925596136 741413988 /nfs/dbraw/zinc/41/39/88/741413988.db2.gz JFWGHAOJZIJICG-CYBMUJFWSA-N 1 0 279.340 1.704 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000886325863 741442537 /nfs/dbraw/zinc/44/25/37/741442537.db2.gz SSLMWLKUAPUJRA-LOWVWBTDSA-N 1 0 278.308 1.286 20 5 CDBDRO Cc1ccc(-c2noc(C3(N)CC3)n2)cc1[N+](=O)[O-] ZINC000843179160 741487815 /nfs/dbraw/zinc/48/78/15/741487815.db2.gz YIFPSMWBQJHUTG-UHFFFAOYSA-N 1 0 260.253 1.901 20 5 CDBDRO [NH3+]CC1(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000139013432 741655801 /nfs/dbraw/zinc/65/58/01/741655801.db2.gz YASWMNDJMWFLHV-UHFFFAOYSA-N 1 0 260.253 1.635 20 5 CDBDRO C[C@H](CC(N)=O)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000161579834 741816868 /nfs/dbraw/zinc/81/68/68/741816868.db2.gz GRMXITYBXZALMM-SSDOTTSWSA-N 1 0 271.704 1.602 20 5 CDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(N2CCCOC2=O)cc1 ZINC000930566746 741879545 /nfs/dbraw/zinc/87/95/45/741879545.db2.gz GSKLQNCJHKOJJK-LLVKDONJSA-N 1 0 293.323 1.961 20 5 CDBDRO CCN(Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[NH2+]C1 ZINC000311468677 742072034 /nfs/dbraw/zinc/07/20/34/742072034.db2.gz XSXMBDWYDKTASP-LBPRGKRZSA-N 1 0 267.304 1.918 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cnnn1C ZINC000866359189 742213082 /nfs/dbraw/zinc/21/30/82/742213082.db2.gz OEGQEHPLWORLQC-VIFPVBQESA-N 1 0 293.302 1.583 20 5 CDBDRO O=C(NCC1C[NH2+]C1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233614 742134940 /nfs/dbraw/zinc/13/49/40/742134940.db2.gz ZURWMKLIQYDDKC-UHFFFAOYSA-N 1 0 284.703 1.589 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815614923 742344590 /nfs/dbraw/zinc/34/45/90/742344590.db2.gz DKZAIRUBNLTPPU-LPEHRKFASA-N 1 0 267.329 1.987 20 5 CDBDRO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000776770306 742375869 /nfs/dbraw/zinc/37/58/69/742375869.db2.gz SNSLLHNYMSRUKQ-CYBMUJFWSA-N 1 0 280.328 1.640 20 5 CDBDRO O=[N+]([O-])c1c(F)nccc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000881907932 742418053 /nfs/dbraw/zinc/41/80/53/742418053.db2.gz IEAVYBMTUBVDKB-JTQLQIEISA-N 1 0 280.303 1.803 20 5 CDBDRO CC(C)[C@@H](C(=O)OCCC[N+](=O)[O-])[NH+]1CCCCC1 ZINC000860921184 742323958 /nfs/dbraw/zinc/32/39/58/742323958.db2.gz PELQGPAXTKBSBA-LBPRGKRZSA-N 1 0 272.345 1.707 20 5 CDBDRO CC(C)(CCc1noc(C2(C[NH3+])CCCC2)n1)[N+](=O)[O-] ZINC000843234637 739363646 /nfs/dbraw/zinc/36/36/46/739363646.db2.gz WJQDBXOGRUQFHO-UHFFFAOYSA-N 1 0 282.344 1.828 20 5 CDBDRO C[NH2+]C[C@H](C)c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000843171184 739517591 /nfs/dbraw/zinc/51/75/91/739517591.db2.gz SVJZERNOWUBFQQ-VIFPVBQESA-N 1 0 276.296 1.892 20 5 CDBDRO [NH3+][C@H]1C[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000715109811 739547076 /nfs/dbraw/zinc/54/70/76/739547076.db2.gz OBTJDXFMAMSVBI-FKQCQYRASA-N 1 0 255.299 1.123 20 5 CDBDRO C[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000839529668 739578732 /nfs/dbraw/zinc/57/87/32/739578732.db2.gz VBFXISAWFJMJAD-DDHJBXDOSA-N 1 0 269.345 1.031 20 5 CDBDRO C[NH2+][C@@H](C)Cc1noc(CCC(C)(C)[N+](=O)[O-])n1 ZINC000842634847 739789903 /nfs/dbraw/zinc/78/99/03/739789903.db2.gz HXAMPZSLSDNDSX-QMMMGPOBSA-N 1 0 256.306 1.208 20 5 CDBDRO [NH3+]CCN(Cc1csnn1)c1ccc([N+](=O)[O-])cc1 ZINC000809734949 739840932 /nfs/dbraw/zinc/84/09/32/739840932.db2.gz UEZHQCCLQOOJOP-UHFFFAOYSA-N 1 0 279.325 1.412 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@@H](n2ccnn2)C1 ZINC000886251409 740088766 /nfs/dbraw/zinc/08/87/66/740088766.db2.gz CANMVUIZFVJVCT-GFCCVEGCSA-N 1 0 288.311 1.418 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2C=C[C@H](CO)C2)cc1 ZINC000843080425 740107200 /nfs/dbraw/zinc/10/72/00/740107200.db2.gz VMWQWQYQDBABTH-ZKYQVNSYSA-N 1 0 278.308 1.155 20 5 CDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000843337175 740172210 /nfs/dbraw/zinc/17/22/10/740172210.db2.gz XZDCTTCIGGTJGJ-UHFFFAOYSA-N 1 0 296.283 1.279 20 5 CDBDRO C[S@](=O)C1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819285740 740195322 /nfs/dbraw/zinc/19/53/22/740195322.db2.gz BRHHOQOHBWLMFA-YUNKPMOVSA-N 1 0 298.364 1.129 20 5 CDBDRO CC[NH2+]CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000818433512 740230607 /nfs/dbraw/zinc/23/06/07/740230607.db2.gz AJXXEFUEVLDOEH-UHFFFAOYSA-N 1 0 279.340 1.643 20 5 CDBDRO CCC[NH+]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865404376 740441192 /nfs/dbraw/zinc/44/11/92/740441192.db2.gz GCJDZPXKDHKGMJ-UHFFFAOYSA-N 1 0 297.330 1.758 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000706538952 740598573 /nfs/dbraw/zinc/59/85/73/740598573.db2.gz LPRIWXNRBNPTMP-SECBINFHSA-N 1 0 283.715 1.682 20 5 CDBDRO CC1(C)C[NH2+]C[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000711382506 740639787 /nfs/dbraw/zinc/63/97/87/740639787.db2.gz OUNVSEODYSWTFB-LLVKDONJSA-N 1 0 263.297 1.779 20 5 CDBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H](CO)C2CC2)c(F)c1 ZINC000795992510 740848409 /nfs/dbraw/zinc/84/84/09/740848409.db2.gz KJHSHAZQSVYWFZ-GFCCVEGCSA-N 1 0 272.251 1.734 20 5 CDBDRO Cc1noc(CONC(=[NH2+])[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000853696711 740875222 /nfs/dbraw/zinc/87/52/22/740875222.db2.gz ACNHLIBOALNFLS-SSDOTTSWSA-N 1 0 270.245 1.069 20 5 CDBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](CO)C(C)(C)C ZINC000776591357 741029194 /nfs/dbraw/zinc/02/91/94/741029194.db2.gz OBFSZVBSRCNDPY-KGLIPLIRSA-N 1 0 296.367 1.967 20 5 CDBDRO C[C@H]([NH2+]C1CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000036330956 741123152 /nfs/dbraw/zinc/12/31/52/741123152.db2.gz IFQTUJADPZTBDM-JTQLQIEISA-N 1 0 298.364 1.823 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000886839385 741338167 /nfs/dbraw/zinc/33/81/67/741338167.db2.gz DDDCQZIPDUPDTL-AWEZNQCLSA-N 1 0 276.340 1.565 20 5 CDBDRO C[NH+](C)C[C@H](O)CNc1c(F)cccc1[N+](=O)[O-] ZINC000717393768 741672384 /nfs/dbraw/zinc/67/23/84/741672384.db2.gz PXLXBPOYDCOKOM-MRVPVSSYSA-N 1 0 257.265 1.068 20 5 CDBDRO CC[C@H](CO)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830348434 741726122 /nfs/dbraw/zinc/72/61/22/741726122.db2.gz GDGPACGPJBMAQG-YPMHNXCESA-N 1 0 268.313 1.331 20 5 CDBDRO Nc1ncc([N+](=O)[O-])cc1-c1nc([C@H]2CCC[NH2+]2)no1 ZINC000842637336 741869962 /nfs/dbraw/zinc/86/99/62/741869962.db2.gz YYYNRMLDPKENPL-MRVPVSSYSA-N 1 0 276.256 1.047 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(N)cc3[N+](=O)[O-])C[C@@H]21 ZINC000828987491 741887335 /nfs/dbraw/zinc/88/73/35/741887335.db2.gz FHIMYSZSPTVOHZ-RNCFNFMXSA-N 1 0 262.313 1.317 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@@H]4[NH2+]CC[C@@H]43)nc2c1 ZINC000864599143 742009626 /nfs/dbraw/zinc/00/96/26/742009626.db2.gz JOSAJLMCZKBSEX-AAEUAGOBSA-N 1 0 287.323 1.802 20 5 CDBDRO CON(C)C(=O)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000858318118 742047763 /nfs/dbraw/zinc/04/77/63/742047763.db2.gz FAFMEGACICNHFY-VIFPVBQESA-N 1 0 267.285 1.093 20 5 CDBDRO CC[NH2+]CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817951178 742270473 /nfs/dbraw/zinc/27/04/73/742270473.db2.gz AORIJEXUWQUENG-VIFPVBQESA-N 1 0 252.318 1.437 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccnc(F)c1[N+](=O)[O-] ZINC000882473774 742381205 /nfs/dbraw/zinc/38/12/05/742381205.db2.gz WAOPQNXSVLUCHL-VIFPVBQESA-N 1 0 268.292 1.659 20 5 CDBDRO CC[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000923343374 742569963 /nfs/dbraw/zinc/56/99/63/742569963.db2.gz AJWXSPIJUVTDMC-BYCMXARLSA-N 1 0 293.367 1.687 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C1([NH3+])CC1)CC2 ZINC000818608767 742578231 /nfs/dbraw/zinc/57/82/31/742578231.db2.gz MMOQFXJDEDNNSX-UHFFFAOYSA-N 1 0 261.281 1.284 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000714058196 742694737 /nfs/dbraw/zinc/69/47/37/742694737.db2.gz BKHLDTUUHVDXOZ-UHFFFAOYSA-N 1 0 255.249 1.025 20 5 CDBDRO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815563653 742800870 /nfs/dbraw/zinc/80/08/70/742800870.db2.gz JVZPPKXXRVNKJS-WKEGUHRASA-N 1 0 293.245 1.751 20 5 CDBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccnc(F)c1[N+](=O)[O-] ZINC000881984925 742819150 /nfs/dbraw/zinc/81/91/50/742819150.db2.gz FGUAAABLHBMZNF-JTQLQIEISA-N 1 0 282.319 1.907 20 5 CDBDRO [NH3+]CCCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000040808896 1165979078 /nfs/dbraw/zinc/97/90/78/1165979078.db2.gz VJZNUIKAQLRMLA-UHFFFAOYSA-N 1 0 271.704 1.717 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1COCCC12C[NH2+]C2 ZINC001155463801 1167180167 /nfs/dbraw/zinc/18/01/67/1167180167.db2.gz XZNNVMLRBWIBHR-LLVKDONJSA-N 1 0 278.312 1.089 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001576096807 1167657702 /nfs/dbraw/zinc/65/77/02/1167657702.db2.gz NGNFVGZZBYDWMM-YUMQZZPRSA-N 1 0 285.731 1.643 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001577397247 1167675494 /nfs/dbraw/zinc/67/54/94/1167675494.db2.gz SIQOAQWADQWSDS-SECBINFHSA-N 1 0 280.328 1.424 20 5 CDBDRO COC(=O)[C@@H]1C[C@H]1C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220833 912303934 /nfs/dbraw/zinc/30/39/34/912303934.db2.gz HEWBFVQULGYANU-VHRBIJSZSA-N 1 0 292.335 1.925 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCOC1 ZINC001173211582 912337027 /nfs/dbraw/zinc/33/70/27/912337027.db2.gz SZOOLRQNBPJYOH-CMPLNLGQSA-N 1 0 250.298 1.904 20 5 CDBDRO CN(C[C@H]1CC1(C)C)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001167090139 894407019 /nfs/dbraw/zinc/40/70/19/894407019.db2.gz LIMIQTREOAICHB-SNVBAGLBSA-N 1 0 291.355 1.554 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC001346407953 894832915 /nfs/dbraw/zinc/83/29/15/894832915.db2.gz QJUMFFPXBPSPNO-MGCOHNPYSA-N 1 0 263.297 1.431 20 5 CDBDRO [NH3+]Cc1nn(-c2ncc([N+](=O)[O-])cn2)c2ccccc12 ZINC001167693484 898371070 /nfs/dbraw/zinc/37/10/70/898371070.db2.gz PUJMIHIICHVBQG-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO C[C@@H]1COC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000699811845 914294569 /nfs/dbraw/zinc/29/45/69/914294569.db2.gz YTFVPHUOUKPCKO-ZWNOBZJWSA-N 1 0 266.297 1.598 20 5 CDBDRO [NH3+]CCc1ccn(-c2cc3cccnc3c([N+](=O)[O-])c2)n1 ZINC001167731381 899505896 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CNC(=O)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900492 912038136 /nfs/dbraw/zinc/03/81/36/912038136.db2.gz UJJWFCNATUUSSJ-LBPRGKRZSA-N 1 0 277.324 1.178 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CC1(O)CC1)CC2 ZINC001172895543 912051623 /nfs/dbraw/zinc/05/16/23/912051623.db2.gz FIGFASLKYRRGGX-ZDUSSCGKSA-N 1 0 276.336 1.957 20 5 CDBDRO O=C(/C=C\C1CC1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001125260935 936360847 /nfs/dbraw/zinc/36/08/47/936360847.db2.gz QSUIYRWYLCITBY-ARJAWSKDSA-N 1 0 295.364 1.828 20 5 CDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])CC1 ZINC001523357768 916646802 /nfs/dbraw/zinc/64/68/02/916646802.db2.gz BOKNFUMRODUQGG-UHFFFAOYSA-N 1 0 295.364 1.928 20 5 CDBDRO CCOCCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001124691518 917575523 /nfs/dbraw/zinc/57/55/23/917575523.db2.gz UANLTCFPHJMYNL-UHFFFAOYSA-N 1 0 295.339 1.227 20 5 CDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc[nH]c1 ZINC001127901970 918985091 /nfs/dbraw/zinc/98/50/91/918985091.db2.gz HFXKOTQOUHOZCL-UHFFFAOYSA-N 1 0 288.307 1.443 20 5 CDBDRO COc1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)nc1[N+](=O)[O-] ZINC001162390464 922469822 /nfs/dbraw/zinc/46/98/22/922469822.db2.gz FYQVGGCADMYDSK-BDAKNGLRSA-N 1 0 266.301 1.680 20 5 CDBDRO COc1cc(N[C@H]2CCC[C@H]([NH3+])C2)cnc1[N+](=O)[O-] ZINC001162400969 922505053 /nfs/dbraw/zinc/50/50/53/922505053.db2.gz JQSPPHPEMZGSBD-IUCAKERBSA-N 1 0 266.301 1.680 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](Nc2nc(Cl)ncc2[N+](=O)[O-])C1 ZINC001154978215 926268718 /nfs/dbraw/zinc/26/87/18/926268718.db2.gz QOQLKXNKMLMSDT-RQJHMYQMSA-N 1 0 271.708 1.720 20 5 CDBDRO COc1nc(N[C@@]23CCC[C@@H]2[NH2+]CC3)ccc1[N+](=O)[O-] ZINC001155402367 926793082 /nfs/dbraw/zinc/79/30/82/926793082.db2.gz LRIINCPQNWMYLX-GXFFZTMASA-N 1 0 278.312 1.695 20 5 CDBDRO COc1cncc(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168978855 927565258 /nfs/dbraw/zinc/56/52/58/927565258.db2.gz UYVQFIYRXQWVGL-CHWSQXEVSA-N 1 0 279.340 1.668 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2cnccn2)C1 ZINC001168978566 927565849 /nfs/dbraw/zinc/56/58/49/927565849.db2.gz SOACVDFCBNBDSR-MNOVXSKESA-N 1 0 250.302 1.054 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](CO)c2ccccn2)C1 ZINC001168986129 927568012 /nfs/dbraw/zinc/56/80/12/927568012.db2.gz WFZBVUDEPADSNA-WZRBSPASSA-N 1 0 265.313 1.150 20 5 CDBDRO COc1ccc([C@H](O)C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168983340 927569999 /nfs/dbraw/zinc/56/99/99/927569999.db2.gz JKWRJPQPVXYNFP-UXIGCNINSA-N 1 0 294.351 1.764 20 5 CDBDRO COc1ccc([C@H](O)C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168983338 927571263 /nfs/dbraw/zinc/57/12/63/927571263.db2.gz JKWRJPQPVXYNFP-OSAQELSMSA-N 1 0 294.351 1.764 20 5 CDBDRO Cc1ccn2c(c1)nnc2C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168965298 927587749 /nfs/dbraw/zinc/58/77/49/927587749.db2.gz ZEUZDNWWYREJLW-NWDGAFQWSA-N 1 0 289.339 1.573 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](CO)Cc2ccc(O)cc2)C1 ZINC001168975232 927598392 /nfs/dbraw/zinc/59/83/92/927598392.db2.gz VDKOUCNROSKVOY-HZSPNIEDSA-N 1 0 294.351 1.331 20 5 CDBDRO O=C(C1CCC1)N1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168992806 927601014 /nfs/dbraw/zinc/60/10/14/927601014.db2.gz KTHUTJGYOVVDHT-UBHSHLNASA-N 1 0 295.383 1.422 20 5 CDBDRO COCCn1cnc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168995715 927602708 /nfs/dbraw/zinc/60/27/08/927602708.db2.gz SSJMMSODONFQQV-NEPJUHHUSA-N 1 0 282.344 1.065 20 5 CDBDRO COC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169005926 927609607 /nfs/dbraw/zinc/60/96/07/927609607.db2.gz DHZPEUIQASJJRO-TUAOUCFPSA-N 1 0 270.329 1.317 20 5 CDBDRO C[C@]1(O)CCCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169006831 927610776 /nfs/dbraw/zinc/61/07/76/927610776.db2.gz JNOKVXAQOPFIHC-AVGNSLFASA-N 1 0 256.346 1.669 20 5 CDBDRO COC(=O)[C@H]1CCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169010329 927613363 /nfs/dbraw/zinc/61/33/63/927613363.db2.gz CUBVCLZXQSELHT-GARJFASQSA-N 1 0 256.302 1.069 20 5 CDBDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011257 927616182 /nfs/dbraw/zinc/61/61/82/927616182.db2.gz IZACILMSOQLHGS-KXNHARMFSA-N 1 0 252.314 1.628 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@](F)(CO)CC2)C1 ZINC001169010520 927616963 /nfs/dbraw/zinc/61/69/63/927616963.db2.gz CWOLODCJFKZKGL-FRRDWIJNSA-N 1 0 274.336 1.618 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](CO)CC2)C1 ZINC001169011311 927617206 /nfs/dbraw/zinc/61/72/06/927617206.db2.gz JRCPHYXPRFTGKI-JHJVBQTASA-N 1 0 256.346 1.526 20 5 CDBDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011255 927618153 /nfs/dbraw/zinc/61/81/53/927618153.db2.gz IZACILMSOQLHGS-FIQHERPVSA-N 1 0 252.314 1.628 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CCN(C3CCOCC3)C2)C1 ZINC001168991230 927628930 /nfs/dbraw/zinc/62/89/30/927628930.db2.gz FYJNJCYDUYQDGL-MJBXVCDLSA-N 1 0 297.399 1.275 20 5 CDBDRO CN1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 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VZXDBLBSXXZPKE-QWHCGFSZSA-N 1 0 266.345 1.650 20 5 CDBDRO CCN1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H](C)C1 ZINC001169051406 927669711 /nfs/dbraw/zinc/66/97/11/927669711.db2.gz DOPHIHTZQFPZSW-UPJWGTAASA-N 1 0 255.362 1.458 20 5 CDBDRO CN1C(=O)CC[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@@H]21 ZINC001169050608 927669969 /nfs/dbraw/zinc/66/99/69/927669969.db2.gz BYIVNGXZLGEHDF-DGAVXFQQSA-N 1 0 295.383 1.375 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H](N2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C1 ZINC001169057492 927674410 /nfs/dbraw/zinc/67/44/10/927674410.db2.gz WATRSLXHYZEEAL-AJNGGQMLSA-N 1 0 299.390 1.940 20 5 CDBDRO [NH3+]C1(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000852906002 927912351 /nfs/dbraw/zinc/91/23/51/927912351.db2.gz LPQRBMYLTQALJS-VMPITWQZSA-N 1 0 289.335 1.996 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1NC[C@@H](O)C(F)(F)F)C[NH2+]C2 ZINC001169456705 928031403 /nfs/dbraw/zinc/03/14/03/928031403.db2.gz SQAADUAZTNJVBX-SNVBAGLBSA-N 1 0 291.229 1.533 20 5 CDBDRO CCOC(=O)c1cnc(-n2ccc(C[NH3+])c2)c([N+](=O)[O-])c1 ZINC001169717235 928371513 /nfs/dbraw/zinc/37/15/13/928371513.db2.gz YQGGFBMEPOGKDM-UHFFFAOYSA-N 1 0 290.279 1.416 20 5 CDBDRO CCOC(=O)c1ccc(N(C)C(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC001170059391 929238265 /nfs/dbraw/zinc/23/82/65/929238265.db2.gz IOBRMOWZGBILJO-UHFFFAOYSA-N 1 0 295.339 1.945 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(c3ncc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC001157262982 929398203 /nfs/dbraw/zinc/39/82/03/929398203.db2.gz ZMBSUPKRURIZIV-CABZTGNLSA-N 1 0 280.303 1.659 20 5 CDBDRO C[C@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000822634534 931190057 /nfs/dbraw/zinc/19/00/57/931190057.db2.gz HVXGTBOMNOAJDZ-APPZFPTMSA-N 1 0 289.295 1.692 20 5 CDBDRO [NH3+][C@@H]1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC(F)(F)C1 ZINC001246590426 932013367 /nfs/dbraw/zinc/01/33/67/932013367.db2.gz UOCKNLPINKZNMP-LPEHRKFASA-N 1 0 263.288 1.100 20 5 CDBDRO C[NH+](C)CC[C@H]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC001154644705 937570819 /nfs/dbraw/zinc/57/08/19/937570819.db2.gz UOYUFGYRHOMXRH-LBPRGKRZSA-N 1 0 285.388 1.622 20 5 CDBDRO Cc1c(-c2noc(C3(C)C[NH2+]C3)n2)cccc1[N+](=O)[O-] ZINC001118102525 937591660 /nfs/dbraw/zinc/59/16/60/937591660.db2.gz BZJDIGKUUXSANC-UHFFFAOYSA-N 1 0 274.280 1.814 20 5 CDBDRO [NH3+]Cc1cn(-c2nc(Cl)cc(Cl)c2[N+](=O)[O-])cn1 ZINC001154906187 937602216 /nfs/dbraw/zinc/60/22/16/937602216.db2.gz DDURVCKEISUPRS-UHFFFAOYSA-N 1 0 288.094 1.941 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCC[NH2+]1 ZINC001171328255 932682057 /nfs/dbraw/zinc/68/20/57/932682057.db2.gz RDBXMMXQIYKPIP-VIFPVBQESA-N 1 0 266.301 1.552 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cc(NC[C@@H]2CCCC[NH2+]2)n1 ZINC001171328482 932690162 /nfs/dbraw/zinc/69/01/62/932690162.db2.gz PDGXDIQGINWUEJ-VIFPVBQESA-N 1 0 294.311 1.330 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2C[C@H](F)C[NH2+]2)n1 ZINC001155038691 937624975 /nfs/dbraw/zinc/62/49/75/937624975.db2.gz VKUZJIIHZPTEQE-UWVGGRQHSA-N 1 0 268.292 1.719 20 5 CDBDRO C[NH+](C)[C@H]1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])n[nH]2)C1 ZINC001155044100 937626460 /nfs/dbraw/zinc/62/64/60/937626460.db2.gz WIIVMWDHMQCUMM-BDAKNGLRSA-N 1 0 281.316 1.377 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1cc(Cl)cc([N+](=O)[O-])n1 ZINC001155187510 937645731 /nfs/dbraw/zinc/64/57/31/937645731.db2.gz IBRLXWKXYPHBLX-HTRCEHHLSA-N 1 0 256.693 1.806 20 5 CDBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1ncc([N+](=O)[O-])cc1N ZINC001155259072 937654419 /nfs/dbraw/zinc/65/44/19/937654419.db2.gz VLFXCIJPRRWZLM-QMMMGPOBSA-N 1 0 298.306 1.931 20 5 CDBDRO C[C@@H](NC(=O)[C@H]1C[C@@]12CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC001122167674 937910305 /nfs/dbraw/zinc/91/03/05/937910305.db2.gz USDWJMHYOVGLSE-WDBKCZKBSA-N 1 0 289.335 1.772 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CCNc2cc([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001156381456 938360962 /nfs/dbraw/zinc/36/09/62/938360962.db2.gz REXWCEVSNNSQMG-NSHDSACASA-N 1 0 280.328 1.372 20 5 CDBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001156771667 938416980 /nfs/dbraw/zinc/41/69/80/938416980.db2.gz YHRLUGUFCKDHMI-UHFFFAOYSA-N 1 0 294.355 1.713 20 5 CDBDRO C[NH2+]CCNC(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001156892236 938427504 /nfs/dbraw/zinc/42/75/04/938427504.db2.gz RYKKVTXJOFRKLH-UHFFFAOYSA-N 1 0 280.662 1.502 20 5 CDBDRO Cc1nc(N2CCC[C@H]([NH3+])[C@@H]2C)ncc1[N+](=O)[O-] ZINC001157748607 938540544 /nfs/dbraw/zinc/54/05/44/938540544.db2.gz VXYDZJYTVXWQAY-IUCAKERBSA-N 1 0 251.290 1.009 20 5 CDBDRO [NH3+]CCc1cnn(-c2nccc(Cl)c2[N+](=O)[O-])c1 ZINC001158096221 938582690 /nfs/dbraw/zinc/58/26/90/938582690.db2.gz OEAQSKCVRFZWBM-UHFFFAOYSA-N 1 0 267.676 1.330 20 5 CDBDRO C[C@@H]1CN(c2cc(Cl)ncc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC001158175057 938590412 /nfs/dbraw/zinc/59/04/12/938590412.db2.gz BFWFMESFYWTVHB-HTQZYQBOSA-N 1 0 270.720 1.830 20 5 CDBDRO Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C)C2)c(N)c1[N+](=O)[O-] ZINC001158225040 938597102 /nfs/dbraw/zinc/59/71/02/938597102.db2.gz UDTNBQGRIUDOCC-SECBINFHSA-N 1 0 278.312 1.376 20 5 CDBDRO C[C@@H]([NH3+])c1ccn(-c2ncnc3cc([N+](=O)[O-])ccc32)n1 ZINC001158349945 938612046 /nfs/dbraw/zinc/61/20/46/938612046.db2.gz WTCMQGGUDJOFSD-MRVPVSSYSA-N 1 0 284.279 1.743 20 5 CDBDRO COc1cc(C)nc(-n2ccc(C[NH3+])c2)c1[N+](=O)[O-] ZINC001158764274 938661181 /nfs/dbraw/zinc/66/11/81/938661181.db2.gz NDUQKDKPDCXNCL-UHFFFAOYSA-N 1 0 262.269 1.556 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCC12CC[NH+](CC1)CC2 ZINC001158826676 938667295 /nfs/dbraw/zinc/66/72/95/938667295.db2.gz GYWWVWSRLZXPBO-UHFFFAOYSA-N 1 0 292.339 1.434 20 5 CDBDRO Cc1c(C)c(NC[C@H]2COCC[NH2+]2)ncc1[N+](=O)[O-] ZINC001159044157 938696648 /nfs/dbraw/zinc/69/66/48/938696648.db2.gz PWRRCYROICRANA-JTQLQIEISA-N 1 0 266.301 1.007 20 5 CDBDRO [NH3+][C@H]1CC[C@H](N(c2cc([N+](=O)[O-])ccn2)C2COC2)CC1 ZINC001161275670 938883896 /nfs/dbraw/zinc/88/38/96/938883896.db2.gz ZEHCIXJAYFGCCZ-XYPYZODXSA-N 1 0 292.339 1.465 20 5 CDBDRO [NH3+]Cc1cn(-c2ccc(-c3cccc([N+](=O)[O-])c3)nn2)cn1 ZINC001162298314 938973891 /nfs/dbraw/zinc/97/38/91/938973891.db2.gz DMKKZNPIENMYRH-UHFFFAOYSA-N 1 0 296.290 1.696 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1-n1cnc(C[NH3+])c1 ZINC001162301752 938975287 /nfs/dbraw/zinc/97/52/87/938975287.db2.gz DFYFITZGGZEGBE-UHFFFAOYSA-N 1 0 276.252 1.026 20 5 CDBDRO COc1nc(N[C@H]2CCC[C@@H]([NH3+])C2)nc(C)c1[N+](=O)[O-] ZINC001162390008 939041496 /nfs/dbraw/zinc/04/14/96/939041496.db2.gz BIPNWPYKQBCFAZ-BDAKNGLRSA-N 1 0 281.316 1.384 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](Nc2cccc3ncc([N+](=O)[O-])n32)C1 ZINC001162404465 939046695 /nfs/dbraw/zinc/04/66/95/939046695.db2.gz MUIIGINJHACAEX-VHSXEESVSA-N 1 0 275.312 1.924 20 5 CDBDRO O=[N+]([O-])c1cnc2cccc(NC[C@@H]3C[C@H](F)C[NH2+]3)n21 ZINC001162480966 939065090 /nfs/dbraw/zinc/06/50/90/939065090.db2.gz AFWPFAHRKJQLMU-IUCAKERBSA-N 1 0 279.275 1.354 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)c(Cl)c1 ZINC001162790248 939140505 /nfs/dbraw/zinc/14/05/05/939140505.db2.gz RLMNRMXGKPKHMS-JVUFJMBOSA-N 1 0 280.715 1.829 20 5 CDBDRO CCOc1nc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)ccc1[N+](=O)[O-] ZINC001162797368 939144501 /nfs/dbraw/zinc/14/45/01/939144501.db2.gz MHPVIKWUJRPSPM-GARJFASQSA-N 1 0 290.323 1.574 20 5 CDBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCOC23C[NH2+]C3)nc1 ZINC001163079555 939192846 /nfs/dbraw/zinc/19/28/46/939192846.db2.gz BHYIOFHYBRNKSU-JTQLQIEISA-N 1 0 278.312 1.170 20 5 CDBDRO COc1cccc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c1[N+](=O)[O-] ZINC001163105008 939201620 /nfs/dbraw/zinc/20/16/20/939201620.db2.gz HWUAHOIPVBTOQX-GIPNMCIBSA-N 1 0 293.323 1.250 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@H]2C[NH2+]Cc3ccsc32)cn1 ZINC001163227896 939229231 /nfs/dbraw/zinc/22/92/31/939229231.db2.gz DZBRENRYRNDVLO-QMMMGPOBSA-N 1 0 277.309 1.703 20 5 CDBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cc([N+](=O)[O-])ccc2Cl)N1 ZINC001163250952 939232563 /nfs/dbraw/zinc/23/25/63/939232563.db2.gz PSGPONRLVJZCLN-PWSUYJOCSA-N 1 0 296.714 1.238 20 5 CDBDRO Cc1c(F)cnc(N[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC001163773261 939327097 /nfs/dbraw/zinc/32/70/97/939327097.db2.gz SJKQESYJNQEWOZ-ZETCQYMHSA-N 1 0 256.281 1.799 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1ncc2cccc([N+](=O)[O-])c2n1 ZINC001163779173 939329944 /nfs/dbraw/zinc/32/99/44/939329944.db2.gz ZZSXJKKZVADXRM-VIFPVBQESA-N 1 0 275.312 1.900 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N[C@H](C)C[NH+](C)C ZINC001163783064 939330577 /nfs/dbraw/zinc/33/05/77/939330577.db2.gz XURQXQCTRSFOTM-MRVPVSSYSA-N 1 0 282.300 1.138 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N(CCC[NH3+])C(C)C ZINC001164122407 939413350 /nfs/dbraw/zinc/41/33/50/939413350.db2.gz CJSWPHYHHSLSOV-UHFFFAOYSA-N 1 0 295.339 1.945 20 5 CDBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1N1CC[C@H]([NH3+])C1 ZINC001164288854 939447565 /nfs/dbraw/zinc/44/75/65/939447565.db2.gz UOKZOTJBLFPBKI-VIFPVBQESA-N 1 0 279.296 1.227 20 5 CDBDRO CC[NH+]1CCC(N(C)c2ncc([N+](=O)[O-])cc2N)CC1 ZINC001165068448 939506066 /nfs/dbraw/zinc/50/60/66/939506066.db2.gz RBGDQZJMBPSGBC-UHFFFAOYSA-N 1 0 279.344 1.493 20 5 CDBDRO C[NH+](C)C[C@]12C[C@H]1CN(c1cc([N+](=O)[O-])ccn1)C2 ZINC001165182124 939520766 /nfs/dbraw/zinc/52/07/66/939520766.db2.gz SXUSIJXQWHXZSD-GWCFXTLKSA-N 1 0 262.313 1.378 20 5 CDBDRO Cc1nc2c(n1-c1ncc([N+](=O)[O-])cc1F)CC[NH2+]CC2 ZINC001165353208 939550534 /nfs/dbraw/zinc/55/05/34/939550534.db2.gz MIWSKZPJBVEPPK-UHFFFAOYSA-N 1 0 291.286 1.311 20 5 CDBDRO CN(C[C@@H]1CC[NH2+]C1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC001166954881 939658943 /nfs/dbraw/zinc/65/89/43/939658943.db2.gz LOMSXKTYMBOIEV-MRVPVSSYSA-N 1 0 270.720 1.689 20 5 CDBDRO O=[N+]([O-])c1cc(Nc2cc[nH+]c(CO)c2)ccc1O ZINC001210394528 940688349 /nfs/dbraw/zinc/68/83/49/940688349.db2.gz XSYUUXFMVGLQSR-UHFFFAOYSA-N 1 0 261.237 1.931 20 5 CDBDRO COc1ccc(C(=O)N2CC[C@@](C)([NH3+])C2)cc1[N+](=O)[O-] ZINC000405781295 940997097 /nfs/dbraw/zinc/99/70/97/940997097.db2.gz POVNAGQAZSWFHP-CYBMUJFWSA-N 1 0 279.296 1.167 20 5 CDBDRO Cc1cc2[nH]c(O[C@@H]3CCC[NH2+]C3)nc2cc1[N+](=O)[O-] ZINC001218283929 941051234 /nfs/dbraw/zinc/05/12/34/941051234.db2.gz LXWBJHAXAYFQCF-SECBINFHSA-N 1 0 276.296 1.910 20 5 CDBDRO C[C@@]([NH3+])(C(=O)NCCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC001524181217 970816021 /nfs/dbraw/zinc/81/60/21/970816021.db2.gz GNPVDJKIEMWYDZ-LBPRGKRZSA-N 1 0 287.266 1.540 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCC(=O)c1cccc(O)c1 ZINC001222216578 941575263 /nfs/dbraw/zinc/57/52/63/941575263.db2.gz INGSGVUNELEXRL-NSHDSACASA-O 1 0 252.334 1.686 20 5 CDBDRO CCOC(=O)[C@H](OCC[N+](C)(C)C)C(F)(F)F ZINC001224775549 941789911 /nfs/dbraw/zinc/78/99/11/941789911.db2.gz MLDPSQHXSBXSLU-QMMMGPOBSA-N 1 0 258.260 1.203 20 5 CDBDRO CC(C)(C)OC(=O)N1C[C@H](F)[C@@H](OCC[N+](C)(C)C)C1 ZINC001224770626 941790056 /nfs/dbraw/zinc/79/00/56/941790056.db2.gz CDSZKRLLEUVWJN-RYUDHWBXSA-N 1 0 291.387 1.667 20 5 CDBDRO C[N+](C)(C)CCO[C@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001224772625 941790246 /nfs/dbraw/zinc/79/02/46/941790246.db2.gz BFPAZMRIIUXCTA-CQSZACIVSA-N 1 0 297.331 1.456 20 5 CDBDRO C[C@@H](C[NH+](C)C)OCCOc1ccc([N+](=O)[O-])cc1 ZINC001224777116 941790723 /nfs/dbraw/zinc/79/07/23/941790723.db2.gz LRJDCOFQVKKKSN-NSHDSACASA-N 1 0 268.313 1.940 20 5 CDBDRO CCOc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001225256635 941834649 /nfs/dbraw/zinc/83/46/49/941834649.db2.gz WNEPJXMSOWFFGF-GFCCVEGCSA-N 1 0 282.360 1.448 20 5 CDBDRO CN1[C@@H]2C[C@H](Oc3ccc(F)cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225905059 941927954 /nfs/dbraw/zinc/92/79/54/941927954.db2.gz OIOCUBSFQYRRFC-PXWWUCIGSA-N 1 0 294.282 1.917 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2nccc(C)c2[N+](=O)[O-])C1 ZINC001226115625 941953077 /nfs/dbraw/zinc/95/30/77/941953077.db2.gz GFVYUPVTGSQRJO-SNVBAGLBSA-N 1 0 251.286 1.771 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(N)nn(C)c2c1 ZINC001226288807 941980506 /nfs/dbraw/zinc/98/05/06/941980506.db2.gz SDIUTTDDJBXXJN-SNVBAGLBSA-N 1 0 263.365 1.629 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1c(O)cccc1[N+](=O)[O-] ZINC001226333489 941988738 /nfs/dbraw/zinc/98/87/38/941988738.db2.gz KPGKISNMUFPCEV-VIFPVBQESA-O 1 0 255.294 1.774 20 5 CDBDRO CC[N@@H+]1CCC[C@H](Oc2ncc(F)cc2[N+](=O)[O-])C1 ZINC001226750873 942061871 /nfs/dbraw/zinc/06/18/71/942061871.db2.gz AFKHDYXMUZZAKH-JTQLQIEISA-N 1 0 269.276 1.992 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2ncc([N+](=O)[O-])cc2C)C1 ZINC001226760629 942064775 /nfs/dbraw/zinc/06/47/75/942064775.db2.gz BWSZTOKZHQXJOJ-LLVKDONJSA-N 1 0 251.286 1.771 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1O[C@H]1CC[N@H+](C)C1 ZINC001227184630 942145793 /nfs/dbraw/zinc/14/57/93/942145793.db2.gz IJFCROUXEGEXIC-JTQLQIEISA-N 1 0 252.270 1.686 20 5 CDBDRO CCOC(=O)Cc1cncnc1O[C@H](C)C[N+](C)(C)C ZINC001228316630 942297586 /nfs/dbraw/zinc/29/75/86/942297586.db2.gz LDDYEISYROKKOH-LLVKDONJSA-N 1 0 282.364 1.056 20 5 CDBDRO O=[N+]([O-])c1cncnc1OC1CC[NH+](C2CC2)CC1 ZINC001228654717 942349198 /nfs/dbraw/zinc/34/91/98/942349198.db2.gz NCZWKRNBUGOMIH-UHFFFAOYSA-N 1 0 264.285 1.390 20 5 CDBDRO C[C@H](C[NH+](C)C)Oc1ncnc2cccc([N+](=O)[O-])c21 ZINC001231053815 942769331 /nfs/dbraw/zinc/76/93/31/942769331.db2.gz VHSUURDBBLKUCA-SECBINFHSA-N 1 0 276.296 1.867 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(C)COC1 ZINC001254537020 947515285 /nfs/dbraw/zinc/51/52/85/947515285.db2.gz VPYXNALAUHEXAB-JTQLQIEISA-N 1 0 250.298 1.904 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)CCO ZINC001254541773 947519348 /nfs/dbraw/zinc/51/93/48/947519348.db2.gz KBVNOFZLPDTEBF-SNVBAGLBSA-N 1 0 266.297 1.067 20 5 CDBDRO CC(=O)NC[C@@H](C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254549769 947522829 /nfs/dbraw/zinc/52/28/29/947522829.db2.gz ZDSZPKMFPUBSAC-RYUDHWBXSA-N 1 0 293.367 1.888 20 5 CDBDRO Cc1cnc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001254565261 947527087 /nfs/dbraw/zinc/52/70/87/947527087.db2.gz CSTMCMLNSUQKDC-ZDUSSCGKSA-N 1 0 284.319 1.950 20 5 CDBDRO [NH3+]CCc1cncn1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254564903 947527556 /nfs/dbraw/zinc/52/75/56/947527556.db2.gz BLHBBQRSRUGYAE-AWEZNQCLSA-N 1 0 272.308 1.632 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@@H](O)c1ccco1)C2 ZINC001254566083 947528575 /nfs/dbraw/zinc/52/85/75/947528575.db2.gz HMEHQELTIVCBII-TZMCWYRMSA-N 1 0 288.303 1.978 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)C2 ZINC001254568893 947531194 /nfs/dbraw/zinc/53/11/94/947531194.db2.gz VVPFDTFEHQMEQX-SNPRPXQTSA-N 1 0 276.336 1.955 20 5 CDBDRO O=C1CC[C@@H](C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CN1 ZINC001254574717 947533985 /nfs/dbraw/zinc/53/39/85/947533985.db2.gz KNIYNXYBSWDTQR-GWCFXTLKSA-N 1 0 289.335 1.178 20 5 CDBDRO Cc1nc(CC[NH3+])nn1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254575091 947535892 /nfs/dbraw/zinc/53/58/92/947535892.db2.gz NWRZPSRQLQJTLI-CYBMUJFWSA-N 1 0 287.323 1.336 20 5 CDBDRO Cc1cc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)n(C)n1 ZINC001254580731 947537334 /nfs/dbraw/zinc/53/73/34/947537334.db2.gz FACUGRQJCFKJMX-CYBMUJFWSA-N 1 0 286.335 1.894 20 5 CDBDRO [NH3+]CCc1nccn1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580533 947538215 /nfs/dbraw/zinc/53/82/15/947538215.db2.gz DOEKQKSKOUIYQU-CYBMUJFWSA-N 1 0 272.308 1.632 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@@H](O)C1CC1)C2 ZINC001254583755 947540313 /nfs/dbraw/zinc/54/03/13/947540313.db2.gz DAPGCYSSDPRPTQ-TZMCWYRMSA-N 1 0 262.309 1.423 20 5 CDBDRO C[C@H]1CC[C@@H](C[NH3+])N1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246537272 948238000 /nfs/dbraw/zinc/23/80/00/948238000.db2.gz HJBMSJRZDJRGOJ-NZVBXONLSA-N 1 0 275.352 1.874 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC001326369613 954341207 /nfs/dbraw/zinc/34/12/07/954341207.db2.gz QQNUTRSFAYRNRT-VIFPVBQESA-N 1 0 281.312 1.331 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001327087897 954698696 /nfs/dbraw/zinc/69/86/96/954698696.db2.gz SORTUIHEQFJBFE-QMMMGPOBSA-N 1 0 295.295 1.051 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC([NH2+]C3CCOCC3)C2)cc1 ZINC001307206615 954798917 /nfs/dbraw/zinc/79/89/17/954798917.db2.gz BVDOFIGDGWFUHT-UHFFFAOYSA-N 1 0 277.324 1.552 20 5 CDBDRO O=c1c2cc([N+](=O)[O-])ccc2ncn1C[C@@H]1CCC[NH2+]C1 ZINC001328182274 955215405 /nfs/dbraw/zinc/21/54/05/955215405.db2.gz WQMPUDNEKQIYPE-SNVBAGLBSA-N 1 0 288.307 1.304 20 5 CDBDRO C[C@@]([NH3+])(C(=O)NC[C@@H]1C=CCC1)c1cccc([N+](=O)[O-])c1 ZINC001332015772 957401632 /nfs/dbraw/zinc/40/16/32/957401632.db2.gz XZACHRXBEYMTNU-ABAIWWIYSA-N 1 0 289.335 1.851 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC001332173896 957464563 /nfs/dbraw/zinc/46/45/63/957464563.db2.gz NKAGANOMBNOVTR-JTQLQIEISA-N 1 0 279.340 1.560 20 5 CDBDRO CC(C)C[NH2+]Cc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC001332360949 957531006 /nfs/dbraw/zinc/53/10/06/957531006.db2.gz XJILBNBTAJCHJB-UHFFFAOYSA-N 1 0 291.311 1.973 20 5 CDBDRO CSC[C@H](O)C[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC001335313684 959699912 /nfs/dbraw/zinc/69/99/12/959699912.db2.gz INSIWRSWYZMTDO-GFCCVEGCSA-N 1 0 285.369 1.320 20 5 CDBDRO C[NH+](C)CCCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC001336432959 960348186 /nfs/dbraw/zinc/34/81/86/960348186.db2.gz QJJWTUFMQWRZIY-UHFFFAOYSA-N 1 0 264.329 1.926 20 5 CDBDRO CO[C@H](C)[C@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001336815072 960620877 /nfs/dbraw/zinc/62/08/77/960620877.db2.gz VXYKMGJEUAXMJA-OPQQBVKSSA-N 1 0 268.313 1.641 20 5 CDBDRO Cc1nn(C)c(N2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001337563203 961281014 /nfs/dbraw/zinc/28/10/14/961281014.db2.gz LVLIUNLICFXAQW-UHFFFAOYSA-N 1 0 281.360 1.557 20 5 CDBDRO CC[NH+](CC)CC[C@H](C)Nc1c([N+](=O)[O-])cnn1C ZINC001340096125 962738749 /nfs/dbraw/zinc/73/87/49/962738749.db2.gz AKUGBYUYGICVLM-JTQLQIEISA-N 1 0 269.349 1.861 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC2(C[NH2+]C2)CC1 ZINC001340561166 963005985 /nfs/dbraw/zinc/00/59/85/963005985.db2.gz ZECRXTZIEDEZHA-UHFFFAOYSA-N 1 0 275.308 1.420 20 5 CDBDRO C[NH2+]C1CC(C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC001341454253 963422961 /nfs/dbraw/zinc/42/29/61/963422961.db2.gz RTHKPTONXGZJFM-UHFFFAOYSA-N 1 0 275.308 1.482 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341776920 963539661 /nfs/dbraw/zinc/53/96/61/963539661.db2.gz CVMVMRNUUDFWAW-SWHYSGLUSA-N 1 0 291.351 1.942 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC3(CC([NH3+])C3)C2)c1 ZINC001341885075 963571898 /nfs/dbraw/zinc/57/18/98/963571898.db2.gz AVSMMTKPKWAZNP-UHFFFAOYSA-N 1 0 289.335 1.903 20 5 CDBDRO O=C(NC[C@H]1CCCCC[NH2+]1)c1csc([N+](=O)[O-])c1 ZINC001342206226 963673375 /nfs/dbraw/zinc/67/33/75/963673375.db2.gz PVPDMHODRVIERS-SNVBAGLBSA-N 1 0 283.353 1.918 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001346068455 964904897 /nfs/dbraw/zinc/90/48/97/964904897.db2.gz CPADDXASGDEEMH-QWRGUYRKSA-N 1 0 264.329 1.615 20 5 CDBDRO Cn1cncc1CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001346212602 964988649 /nfs/dbraw/zinc/98/86/49/964988649.db2.gz AUYAHRZEVAOTDM-CQSZACIVSA-N 1 0 290.323 1.194 20 5 CDBDRO C[NH+](C)C1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001350803777 966767578 /nfs/dbraw/zinc/76/75/78/966767578.db2.gz UCJAUJLOSSULMA-UHFFFAOYSA-N 1 0 275.308 1.531 20 5 CDBDRO CC(C)=CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001200472568 968288154 /nfs/dbraw/zinc/28/81/54/968288154.db2.gz RHDLXVONYFDBCN-CHWSQXEVSA-N 1 0 281.356 1.198 20 5 CDBDRO C[C@@H](NC(=O)C(C)(C)C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001358141684 969700456 /nfs/dbraw/zinc/70/04/56/969700456.db2.gz FJHKXUVYBHLEOZ-SECBINFHSA-N 1 0 265.313 1.757 20 5 CDBDRO COc1ccc(OC(=O)CCCC[NH3+])cc1[N+](=O)[O-] ZINC001574034122 1170868128 /nfs/dbraw/zinc/86/81/28/1170868128.db2.gz XYWARHDGBHZFHZ-UHFFFAOYSA-N 1 0 268.269 1.638 20 5 CDBDRO C[C@]([NH3+])(C(=O)NC1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC001576080675 1171327898 /nfs/dbraw/zinc/32/78/98/1171327898.db2.gz FPUOLUFUWKNPHH-CQSZACIVSA-N 1 0 275.308 1.604 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001578625043 1171963425 /nfs/dbraw/zinc/96/34/25/1171963425.db2.gz IBTVOIJAIOTKKX-JTQLQIEISA-N 1 0 280.328 1.880 20 5 CDBDRO C[NH+](C)[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000601001947 342457573 /nfs/dbraw/zinc/45/75/73/342457573.db2.gz FACOSAMMPSBGEX-LBPRGKRZSA-N 1 0 295.314 1.804 20 5 CDBDRO Cn1c(C(=O)NCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000330568908 365610471 /nfs/dbraw/zinc/61/04/71/365610471.db2.gz LXGRNJNQIRPKRR-UHFFFAOYSA-N 1 0 280.328 1.149 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135359755 342070581 /nfs/dbraw/zinc/07/05/81/342070581.db2.gz UWDHNKQJGNKWDJ-CMPLNLGQSA-N 1 0 277.324 1.476 20 5 CDBDRO CC1(C)C[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000618952176 349563720 /nfs/dbraw/zinc/56/37/20/349563720.db2.gz YBSNTKLLWMZXRX-LBPRGKRZSA-N 1 0 280.324 1.676 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[NH3+] ZINC000591303826 342624731 /nfs/dbraw/zinc/62/47/31/342624731.db2.gz CUBCKXAWBOFJRL-QMMMGPOBSA-N 1 0 282.300 1.462 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000591361312 342628400 /nfs/dbraw/zinc/62/84/00/342628400.db2.gz SSLXAXARUDWGQR-SNVBAGLBSA-N 1 0 292.339 1.616 20 5 CDBDRO O=[N+]([O-])c1cccc(CN2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000591448454 342632742 /nfs/dbraw/zinc/63/27/42/342632742.db2.gz IBPKKXYRURQJQJ-TZMCWYRMSA-N 1 0 261.325 1.779 20 5 CDBDRO CCOc1ccc([C@H](C)NC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000591581421 342638030 /nfs/dbraw/zinc/63/80/30/342638030.db2.gz VUESKBANDWHXFW-UWVGGRQHSA-N 1 0 267.329 1.991 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(NCC[NH+]3CCC3)c2c1 ZINC000611712469 346856169 /nfs/dbraw/zinc/85/61/69/346856169.db2.gz MWIWVAGFZBXEGX-UHFFFAOYSA-N 1 0 273.296 1.078 20 5 CDBDRO O=C(C[NH2+]C1CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000154402407 342155804 /nfs/dbraw/zinc/15/58/04/342155804.db2.gz XSQBBWOFXKNNDY-UHFFFAOYSA-N 1 0 275.308 1.232 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000592792832 342732378 /nfs/dbraw/zinc/73/23/78/342732378.db2.gz BCLJWAGYKUCKAD-DGCLKSJQSA-N 1 0 291.351 1.860 20 5 CDBDRO CCN(CC[NH3+])Cc1cc([N+](=O)[O-])ccc1OC ZINC000305955213 342180965 /nfs/dbraw/zinc/18/09/65/342180965.db2.gz HZCRTPHSIXYZRP-UHFFFAOYSA-N 1 0 253.302 1.384 20 5 CDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NC1CC[NH2+]CC1 ZINC000208423317 342184793 /nfs/dbraw/zinc/18/47/93/342184793.db2.gz CJNGGKHSABTJIW-WAYWQWQTSA-N 1 0 275.308 1.476 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@@]1(O)CCCOC1 ZINC000593690947 342823317 /nfs/dbraw/zinc/82/33/17/342823317.db2.gz BPZSZFGWIBZBHD-AWEZNQCLSA-N 1 0 280.324 1.616 20 5 CDBDRO C[NH+](C)CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000202037011 342845127 /nfs/dbraw/zinc/84/51/27/342845127.db2.gz NZEFQPMDTJOJEZ-UHFFFAOYSA-N 1 0 276.296 1.368 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1COCCN1 ZINC000600678733 342244111 /nfs/dbraw/zinc/24/41/11/342244111.db2.gz TZSZLEVECXFBAE-DXTPNHAXSA-N 1 0 277.324 1.186 20 5 CDBDRO CCN(CC[NH3+])Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000600774329 342248487 /nfs/dbraw/zinc/24/84/87/342248487.db2.gz JOIWOGQIZCXFEM-UHFFFAOYSA-N 1 0 283.328 1.393 20 5 CDBDRO CC(C)Oc1nc(N2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000594546956 342915923 /nfs/dbraw/zinc/91/59/23/342915923.db2.gz SRSJDPJKPSQCBM-GHMZBOCLSA-N 1 0 292.339 1.433 20 5 CDBDRO CC(C)[C@H]([NH3+])c1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594649356 342931745 /nfs/dbraw/zinc/93/17/45/342931745.db2.gz LNIDUIDSGSNXQG-NSHDSACASA-N 1 0 262.273 1.226 20 5 CDBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000092956483 342270501 /nfs/dbraw/zinc/27/05/01/342270501.db2.gz VORRQLDGKDGTKD-KOLCDFICSA-N 1 0 263.297 1.209 20 5 CDBDRO Cc1ccc(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000127840113 342286863 /nfs/dbraw/zinc/28/68/63/342286863.db2.gz VIQMGPVEVNMGGE-GWCFXTLKSA-N 1 0 293.323 1.091 20 5 CDBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000125842546 187202366 /nfs/dbraw/zinc/20/23/66/187202366.db2.gz TYJDASCTWFYHRM-UHFFFAOYSA-N 1 0 269.688 1.294 20 5 CDBDRO C[C@H](Cn1cncn1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000595035909 342997927 /nfs/dbraw/zinc/99/79/27/342997927.db2.gz NIGJTGRMYGVNQE-LLVKDONJSA-N 1 0 275.312 1.407 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000595293952 343025935 /nfs/dbraw/zinc/02/59/35/343025935.db2.gz VKMMLYGRWCPWIE-PHIMTYICSA-N 1 0 265.288 1.385 20 5 CDBDRO CC(C)(C)[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000075651188 342314093 /nfs/dbraw/zinc/31/40/93/342314093.db2.gz PQPBSOLQGDWFIO-UHFFFAOYSA-N 1 0 265.313 1.713 20 5 CDBDRO Cc1noc(CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000595408724 343050633 /nfs/dbraw/zinc/05/06/33/343050633.db2.gz SDTSNUZKQUXVRZ-RKDXNWHRSA-N 1 0 268.317 1.416 20 5 CDBDRO C[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)C[NH+]1CCCCC1 ZINC000076268618 342320338 /nfs/dbraw/zinc/32/03/38/342320338.db2.gz HLELLVBSYGEUSN-SNVBAGLBSA-N 1 0 294.359 1.501 20 5 CDBDRO Cc1noc(CN2CC[N@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000595461744 343070987 /nfs/dbraw/zinc/07/09/87/343070987.db2.gz MGMOKUYVDIVIMC-LLVKDONJSA-N 1 0 282.344 1.663 20 5 CDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1COCCO1 ZINC000595746022 343151056 /nfs/dbraw/zinc/15/10/56/343151056.db2.gz ZNYNUANGDDXUEG-AWEZNQCLSA-N 1 0 296.323 1.321 20 5 CDBDRO CC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000341015435 365729537 /nfs/dbraw/zinc/72/95/37/365729537.db2.gz QRZZXBTYEQGOBX-WCQYABFASA-N 1 0 250.298 1.798 20 5 CDBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595856291 343165203 /nfs/dbraw/zinc/16/52/03/343165203.db2.gz AIDOCFVMNPNKQD-CMGMYYOESA-N 1 0 294.355 1.415 20 5 CDBDRO CC1(C)CC[NH2+][C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000595925846 343193782 /nfs/dbraw/zinc/19/37/82/343193782.db2.gz UTOLZYVJYXKWMI-LBPRGKRZSA-N 1 0 277.324 1.599 20 5 CDBDRO C[N@@H+]1CC[C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596111946 343230403 /nfs/dbraw/zinc/23/04/03/343230403.db2.gz FHXFDJUOZDCQNO-MRVPVSSYSA-N 1 0 252.274 1.059 20 5 CDBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000081516483 342371519 /nfs/dbraw/zinc/37/15/19/342371519.db2.gz ABCQWKHMGWJEQH-GFCCVEGCSA-N 1 0 295.387 1.492 20 5 CDBDRO CS[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)C[C@@H]1[NH+](C)C ZINC000596177995 343248969 /nfs/dbraw/zinc/24/89/69/343248969.db2.gz KHMDAVBJCQUKSR-VHSXEESVSA-N 1 0 297.384 1.054 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107571458 342382597 /nfs/dbraw/zinc/38/25/97/342382597.db2.gz FDXLQSPFDTWERI-RKDXNWHRSA-N 1 0 251.261 1.390 20 5 CDBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596217898 343269304 /nfs/dbraw/zinc/26/93/04/343269304.db2.gz ZFCVUQLUOSXNLB-NSHDSACASA-N 1 0 293.371 1.526 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000596436707 343321427 /nfs/dbraw/zinc/32/14/27/343321427.db2.gz PBDQHVCNGFDNCV-NSHDSACASA-N 1 0 294.355 1.490 20 5 CDBDRO COC[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000115295422 342429381 /nfs/dbraw/zinc/42/93/81/342429381.db2.gz SNWOIWGSVGMYFZ-GFCCVEGCSA-N 1 0 279.340 1.752 20 5 CDBDRO Cc1c(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cccc1[N+](=O)[O-] ZINC000209381923 342438659 /nfs/dbraw/zinc/43/86/59/342438659.db2.gz SWPCPHRMTAWZTQ-MFKMUULPSA-N 1 0 275.308 1.337 20 5 CDBDRO COc1ccc(C(=O)NCC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000598000929 343685595 /nfs/dbraw/zinc/68/55/95/343685595.db2.gz VSDZYWKZFVAHKW-JTQLQIEISA-N 1 0 295.339 1.673 20 5 CDBDRO [NH3+][C@@]12CCC[C@H]1CN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000598680382 343875339 /nfs/dbraw/zinc/87/53/39/343875339.db2.gz AJBROWRKMGOFRG-GXTWGEPZSA-N 1 0 261.325 1.908 20 5 CDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915987 343920156 /nfs/dbraw/zinc/92/01/56/343920156.db2.gz SAJRUNHSIHJAOR-VIFPVBQESA-N 1 0 296.302 1.855 20 5 CDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1[N+](=O)[O-] ZINC000130372447 347033506 /nfs/dbraw/zinc/03/35/06/347033506.db2.gz AVZGJVUHHQJIRK-JTQLQIEISA-N 1 0 281.287 1.606 20 5 CDBDRO COc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000601977606 344306122 /nfs/dbraw/zinc/30/61/22/344306122.db2.gz VJZRIJBCMHDSAB-TXEJJXNPSA-N 1 0 278.308 1.682 20 5 CDBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602431859 344424354 /nfs/dbraw/zinc/42/43/54/344424354.db2.gz FVMWMAMAXJBKRG-ZJUUUORDSA-N 1 0 293.298 1.700 20 5 CDBDRO Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000602473579 344432619 /nfs/dbraw/zinc/43/26/19/344432619.db2.gz UYJSWDWAXHUFCB-AOOOYVTPSA-N 1 0 250.302 1.560 20 5 CDBDRO CC(C)CC[C@@H]([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000602440564 344418017 /nfs/dbraw/zinc/41/80/17/344418017.db2.gz QXUQMXHMWQXVSQ-GFCCVEGCSA-N 1 0 279.340 1.975 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000602596076 344502938 /nfs/dbraw/zinc/50/29/38/344502938.db2.gz NACBIZRVDPFBIH-WDEREUQCSA-N 1 0 277.324 1.773 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000602597615 344503664 /nfs/dbraw/zinc/50/36/64/344503664.db2.gz VZGXKVZIWMIQQO-OIBJUYFYSA-N 1 0 267.260 1.296 20 5 CDBDRO O=C1CCC[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)N1 ZINC000602639340 344511526 /nfs/dbraw/zinc/51/15/26/344511526.db2.gz JUOTWGJYCLYHOQ-GFCCVEGCSA-N 1 0 277.324 1.396 20 5 CDBDRO CCO[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1C ZINC000602684079 344530203 /nfs/dbraw/zinc/53/02/03/344530203.db2.gz FNBSWTOMOPDGOB-CMPLNLGQSA-N 1 0 282.344 1.575 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602802344 344591917 /nfs/dbraw/zinc/59/19/17/344591917.db2.gz ZGATXUIHIGEDBM-VXGBXAGGSA-N 1 0 295.387 1.514 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC2(C1)CCOCC2 ZINC000602783533 344597506 /nfs/dbraw/zinc/59/75/06/344597506.db2.gz PHPCAJOEEWLTEX-UHFFFAOYSA-N 1 0 294.355 1.602 20 5 CDBDRO CO[C@@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602774397 344577445 /nfs/dbraw/zinc/57/74/45/344577445.db2.gz YRQGUNOXNLDYDR-LLVKDONJSA-N 1 0 268.317 1.211 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](CC2CC2)CC1 ZINC000602763888 344584479 /nfs/dbraw/zinc/58/44/79/344584479.db2.gz FNRIMHJODVHZHN-UHFFFAOYSA-N 1 0 293.371 1.127 20 5 CDBDRO C[C@@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343516029 362491478 /nfs/dbraw/zinc/49/14/78/362491478.db2.gz KJBNLJLZELWSMG-RISCZKNCSA-N 1 0 291.351 1.736 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000602826243 344611868 /nfs/dbraw/zinc/61/18/68/344611868.db2.gz JUBCOHJEOONTIA-CHWSQXEVSA-N 1 0 294.355 1.743 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CO)C(C)(C)C ZINC000602806065 344615153 /nfs/dbraw/zinc/61/51/53/344615153.db2.gz LBFZODACTZFWQB-SNVBAGLBSA-N 1 0 270.333 1.096 20 5 CDBDRO CC[NH+](CC)[C@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602788493 344600289 /nfs/dbraw/zinc/60/02/89/344600289.db2.gz YTWZFSCTLMGVHT-ZDUSSCGKSA-N 1 0 295.387 1.516 20 5 CDBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C[C@H](C)OC ZINC000602837598 344619424 /nfs/dbraw/zinc/61/94/24/344619424.db2.gz NXHFWCCFFFXKAA-JTQLQIEISA-N 1 0 270.333 1.457 20 5 CDBDRO CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000044019704 344888680 /nfs/dbraw/zinc/88/86/80/344888680.db2.gz XIVBQMOGVSDCQR-UHFFFAOYSA-N 1 0 292.339 1.512 20 5 CDBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000604539700 344899289 /nfs/dbraw/zinc/89/92/89/344899289.db2.gz CUEPLBBFIXTXIM-NSHDSACASA-N 1 0 264.329 1.957 20 5 CDBDRO [NH3+]C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CCCCC1 ZINC000127331309 187297858 /nfs/dbraw/zinc/29/78/58/187297858.db2.gz DKYQLZZAJOBVLD-NSHDSACASA-N 1 0 280.328 1.560 20 5 CDBDRO CC[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159721979 362509564 /nfs/dbraw/zinc/50/95/64/362509564.db2.gz GXWOGLSXZWHMLP-LBPRGKRZSA-N 1 0 279.340 1.879 20 5 CDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159726747 362511492 /nfs/dbraw/zinc/51/14/92/362511492.db2.gz HXCPCKGNOZYFQM-TXEJJXNPSA-N 1 0 279.340 1.734 20 5 CDBDRO CCCN(CCC[NH+](C)C)c1ncc([N+](=O)[O-])c(C)n1 ZINC000295096351 199342210 /nfs/dbraw/zinc/34/22/10/199342210.db2.gz STSGPSSMBHAJOW-UHFFFAOYSA-N 1 0 281.360 1.861 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+](CC2CC2)CC2CC2)c1 ZINC000072637823 345343963 /nfs/dbraw/zinc/34/39/63/345343963.db2.gz KVELKJAHOGZDDW-AWEZNQCLSA-N 1 0 294.355 1.274 20 5 CDBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000382775084 362595220 /nfs/dbraw/zinc/59/52/20/362595220.db2.gz OAKCJPIALZSLBE-KBPBESRZSA-N 1 0 296.371 1.711 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](CO)C2)cc1 ZINC000265819166 362608442 /nfs/dbraw/zinc/60/84/42/362608442.db2.gz KNRVCKDEYWRFKS-LBPRGKRZSA-N 1 0 280.324 1.678 20 5 CDBDRO C[N@@H+]1CC[C@@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000609992631 346054740 /nfs/dbraw/zinc/05/47/40/346054740.db2.gz AYCACSYQWBJVTA-SNVBAGLBSA-N 1 0 275.308 1.436 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000085374113 179042931 /nfs/dbraw/zinc/04/29/31/179042931.db2.gz ZSGWLFJUFFRZSQ-QWHCGFSZSA-N 1 0 277.324 1.729 20 5 CDBDRO CC(C)OC[C@@H](CO)N(C)Cc1csc([N+](=O)[O-])c1 ZINC000584681920 346401816 /nfs/dbraw/zinc/40/18/16/346401816.db2.gz ADXYRYOQIURDPE-LLVKDONJSA-N 1 0 288.369 1.874 20 5 CDBDRO O=C(NCC[NH2+]C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000054266129 347092226 /nfs/dbraw/zinc/09/22/26/347092226.db2.gz SVIILRUBYFVOTC-UHFFFAOYSA-N 1 0 264.285 1.468 20 5 CDBDRO O=C(CC[NH2+]C1CC1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676280 346492442 /nfs/dbraw/zinc/49/24/42/346492442.db2.gz GCIKQVHDGCPVCK-UHFFFAOYSA-N 1 0 277.324 1.396 20 5 CDBDRO CC[NH2+]Cc1cn(Cc2ccc(OC)c([N+](=O)[O-])c2)nn1 ZINC000090296498 347650998 /nfs/dbraw/zinc/65/09/98/347650998.db2.gz XAWNAIRCDUYLEI-UHFFFAOYSA-N 1 0 291.311 1.353 20 5 CDBDRO CC[NH2+]Cc1cn(Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000090296138 347651075 /nfs/dbraw/zinc/65/10/75/347651075.db2.gz MJXOIOOKCFDTSF-UHFFFAOYSA-N 1 0 295.730 1.998 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000090322516 347653389 /nfs/dbraw/zinc/65/33/89/347653389.db2.gz WHNLFCQEBWCZGE-GHMZBOCLSA-N 1 0 281.743 1.899 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000219756917 347702856 /nfs/dbraw/zinc/70/28/56/347702856.db2.gz UXGIPZRFHONGQJ-GZTOBOFZSA-N 1 0 261.281 1.168 20 5 CDBDRO CC(C)CC[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090518418 347742785 /nfs/dbraw/zinc/74/27/85/347742785.db2.gz MCPFFXASLSYHKC-UHFFFAOYSA-N 1 0 267.329 1.734 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000060063665 348883223 /nfs/dbraw/zinc/88/32/23/348883223.db2.gz MQKSREMJBLXTSJ-UHFFFAOYSA-N 1 0 295.339 1.675 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000108338841 348911366 /nfs/dbraw/zinc/91/13/66/348911366.db2.gz XMVFUAFZCQNHCW-SECBINFHSA-N 1 0 267.285 1.259 20 5 CDBDRO CC(C)[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000068800271 349079233 /nfs/dbraw/zinc/07/92/33/349079233.db2.gz UUXMHINMKUBIEN-UHFFFAOYSA-N 1 0 281.312 1.744 20 5 CDBDRO O=C(NCC[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000106365884 186110083 /nfs/dbraw/zinc/11/00/83/186110083.db2.gz RQMHAOUEGXXWJI-LLVKDONJSA-N 1 0 277.324 1.714 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000311838025 350724965 /nfs/dbraw/zinc/72/49/65/350724965.db2.gz GKFSPBZRFRCANC-SNVBAGLBSA-N 1 0 265.313 1.381 20 5 CDBDRO Cc1nc(N2CC[C@@H]([NH+]3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000515985348 362980456 /nfs/dbraw/zinc/98/04/56/362980456.db2.gz DMRKWQBLRGBGOU-GFCCVEGCSA-N 1 0 291.355 1.758 20 5 CDBDRO C[C@H](CNCc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000291698329 198062559 /nfs/dbraw/zinc/06/25/59/198062559.db2.gz JVRRVMXWOHOHCE-LLVKDONJSA-N 1 0 251.330 1.882 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[NH+]1CCCC1 ZINC000516389410 363089125 /nfs/dbraw/zinc/08/91/25/363089125.db2.gz RXNNLHCSXWQCMT-JTQLQIEISA-N 1 0 280.328 1.147 20 5 CDBDRO CC1(O)CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000122053992 187012965 /nfs/dbraw/zinc/01/29/65/187012965.db2.gz FYUGAYUIOBSFLG-UHFFFAOYSA-N 1 0 264.325 1.984 20 5 CDBDRO Cc1nc(N[C@H]2CCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000124144606 187123767 /nfs/dbraw/zinc/12/37/67/187123767.db2.gz UTPGYWHFAHOBPY-UWVGGRQHSA-N 1 0 250.302 1.838 20 5 CDBDRO COC(=O)C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000361741470 358473424 /nfs/dbraw/zinc/47/34/24/358473424.db2.gz WHCQSXXAGWPBQR-CQSZACIVSA-N 1 0 294.307 1.407 20 5 CDBDRO CC1=CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000355348393 366085298 /nfs/dbraw/zinc/08/52/98/366085298.db2.gz WHZYYKSONSQVFK-UHFFFAOYSA-N 1 0 278.312 1.305 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH+]2C[C@@H]3CCC[C@H]3C2)n1 ZINC000153381511 188079366 /nfs/dbraw/zinc/07/93/66/188079366.db2.gz BNBACPBHQUDRDA-QWRGUYRKSA-N 1 0 250.302 1.523 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)CC[C@@H]21 ZINC000154375368 188138512 /nfs/dbraw/zinc/13/85/12/188138512.db2.gz BZKPZIMRWPEOSD-MNOVXSKESA-N 1 0 293.323 1.744 20 5 CDBDRO CN(C(=O)Cc1ccccc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000295169161 199384344 /nfs/dbraw/zinc/38/43/44/199384344.db2.gz FUZHTNZWPCROIT-UHFFFAOYSA-N 1 0 263.297 1.085 20 5 CDBDRO COc1cc(C(=O)N(C)[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000156709020 188277357 /nfs/dbraw/zinc/27/73/57/188277357.db2.gz UAHFKCQJSXLXGV-JTQLQIEISA-N 1 0 279.296 1.037 20 5 CDBDRO COc1cc(C(=O)N2CCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000156739818 188279204 /nfs/dbraw/zinc/27/92/04/188279204.db2.gz NIWBNPFKBPFGNO-JTQLQIEISA-N 1 0 279.296 1.167 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000157653069 188331156 /nfs/dbraw/zinc/33/11/56/188331156.db2.gz ZCSHXKYQOKOVEM-UHFFFAOYSA-N 1 0 271.704 1.540 20 5 CDBDRO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000279821043 363308691 /nfs/dbraw/zinc/30/86/91/363308691.db2.gz QLHBWWXNNBTHIL-LBPRGKRZSA-N 1 0 250.298 1.798 20 5 CDBDRO COC[C@@H]1C[C@H](O)C[N@@H+]1[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000411927171 363381618 /nfs/dbraw/zinc/38/16/18/363381618.db2.gz XSQKIWSFIZGPBC-SWHYSGLUSA-N 1 0 280.324 1.737 20 5 CDBDRO CC1(CNC(=O)c2cc([N+](=O)[O-])ccc2N)CC[NH2+]CC1 ZINC000286322477 356252232 /nfs/dbraw/zinc/25/22/32/356252232.db2.gz YMZRRTMXWGBMOB-UHFFFAOYSA-N 1 0 292.339 1.297 20 5 CDBDRO CC[C@@H]([NH3+])c1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000229935095 356322262 /nfs/dbraw/zinc/32/22/62/356322262.db2.gz KGXVZWNEQVPJDE-SNVBAGLBSA-N 1 0 261.285 1.644 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000048336239 356546373 /nfs/dbraw/zinc/54/63/73/356546373.db2.gz DGSHZIVYDKFVHS-SNVBAGLBSA-N 1 0 262.313 1.886 20 5 CDBDRO CCOc1cccc(N2CC([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000273813777 192318413 /nfs/dbraw/zinc/31/84/13/192318413.db2.gz BKXGXNFEJOYNBA-UHFFFAOYSA-N 1 0 265.313 1.744 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000073419349 356936692 /nfs/dbraw/zinc/93/66/92/356936692.db2.gz YIEFUNURDWWREV-LLVKDONJSA-N 1 0 293.323 1.515 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000163656136 357048698 /nfs/dbraw/zinc/04/86/98/357048698.db2.gz MEWSYJZQZRBCFA-MFKMUULPSA-N 1 0 291.351 1.960 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2cnccn2)cc1 ZINC000341283186 357220912 /nfs/dbraw/zinc/22/09/12/357220912.db2.gz WSRQUDAMSMWUJQ-UHFFFAOYSA-N 1 0 258.281 1.717 20 5 CDBDRO COc1c(C(=O)NC[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000341329766 357227600 /nfs/dbraw/zinc/22/76/00/357227600.db2.gz TVUDYAJMWZTJTK-JTQLQIEISA-N 1 0 295.339 1.531 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C1(C(N)=O)CCCC1 ZINC000120200925 357259722 /nfs/dbraw/zinc/25/97/22/357259722.db2.gz INWAEKJEVKPRGP-UHFFFAOYSA-N 1 0 277.324 1.825 20 5 CDBDRO COCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000264602756 357442270 /nfs/dbraw/zinc/44/22/70/357442270.db2.gz NUUFOSNNZTWMSB-SNVBAGLBSA-N 1 0 283.303 1.867 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H](C)CCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283976488 357623243 /nfs/dbraw/zinc/62/32/43/357623243.db2.gz GUDHIGDFSHWEHQ-VHSXEESVSA-N 1 0 267.329 1.846 20 5 CDBDRO C[C@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337472558 358047888 /nfs/dbraw/zinc/04/78/88/358047888.db2.gz QKINOSKFXXZLFU-WDEREUQCSA-N 1 0 293.323 1.379 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2C[NH2+]CC2(C)C)c1F ZINC001579642793 1172232267 /nfs/dbraw/zinc/23/22/67/1172232267.db2.gz WFRFLXIRSAOGBX-LLVKDONJSA-N 1 0 295.314 1.770 20 5 CDBDRO C[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000193001682 358256357 /nfs/dbraw/zinc/25/63/57/358256357.db2.gz QDHZWTQVJXBEBP-JTQLQIEISA-N 1 0 250.298 1.940 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H](C)[NH3+])c1 ZINC000088147723 358357532 /nfs/dbraw/zinc/35/75/32/358357532.db2.gz XQUYOHFYQKQPAR-SECBINFHSA-N 1 0 251.286 1.370 20 5 CDBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CC([NH3+])C1 ZINC000294876240 199227265 /nfs/dbraw/zinc/22/72/65/199227265.db2.gz PPZZOKZDWNOPFM-UHFFFAOYSA-N 1 0 297.742 1.739 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000567104923 358628899 /nfs/dbraw/zinc/62/88/99/358628899.db2.gz FVZQYCYUZFYLQW-IJLUTSLNSA-N 1 0 298.314 1.815 20 5 CDBDRO C[C@@H](CCCC[NH3+])NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000567167888 358635943 /nfs/dbraw/zinc/63/59/43/358635943.db2.gz XHIFLYULGJNGPZ-VIFPVBQESA-N 1 0 280.328 1.424 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](CO)C2)cc1F ZINC000094775832 358662272 /nfs/dbraw/zinc/66/22/72/358662272.db2.gz AFADNTGVCRBRJY-SNVBAGLBSA-N 1 0 254.261 1.548 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000567337339 358662678 /nfs/dbraw/zinc/66/26/78/358662678.db2.gz AWXARLNFYNOOBP-LLVKDONJSA-N 1 0 292.339 1.400 20 5 CDBDRO [NH3+][C@H]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000145738539 358758071 /nfs/dbraw/zinc/75/80/71/358758071.db2.gz GTKAVISJWFTVAH-XYPYZODXSA-N 1 0 263.297 1.595 20 5 CDBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264913155 358767574 /nfs/dbraw/zinc/76/75/74/358767574.db2.gz FWVXWPCROINFGW-UWVGGRQHSA-N 1 0 278.312 1.232 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000264949004 358791103 /nfs/dbraw/zinc/79/11/03/358791103.db2.gz XTVSSVVHXLEGDP-LLVKDONJSA-N 1 0 295.339 1.430 20 5 CDBDRO C[C@H]1C[C@H](O)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000340914400 363620572 /nfs/dbraw/zinc/62/05/72/363620572.db2.gz RPKXOCWCKYEYSC-GWCFXTLKSA-N 1 0 250.298 1.592 20 5 CDBDRO CC[C@](C)(O)C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000111384748 359219513 /nfs/dbraw/zinc/21/95/13/359219513.db2.gz AOCIUHRFUXTTJY-AWEZNQCLSA-N 1 0 298.339 1.863 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000081900590 359433704 /nfs/dbraw/zinc/43/37/04/359433704.db2.gz NNRRRARIALDXAY-VHSXEESVSA-N 1 0 286.353 1.679 20 5 CDBDRO C[NH+](C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCSC1 ZINC000267304392 359505073 /nfs/dbraw/zinc/50/50/73/359505073.db2.gz MFBPXZJQQDYVLJ-LBPRGKRZSA-N 1 0 298.368 1.090 20 5 CDBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000297147337 200098180 /nfs/dbraw/zinc/09/81/80/200098180.db2.gz LPTKAJVXYXEDOM-UHFFFAOYSA-N 1 0 293.327 1.065 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000189685217 359763933 /nfs/dbraw/zinc/76/39/33/359763933.db2.gz KGNSFVPWZBXRMP-QMMMGPOBSA-N 1 0 256.331 1.805 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000089106498 283502631 /nfs/dbraw/zinc/50/26/31/283502631.db2.gz QDFVECZKLCOGGH-YPMHNXCESA-N 1 0 277.324 1.842 20 5 CDBDRO Cc1cc(N[C@H]2CC[N@@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000073000362 360052018 /nfs/dbraw/zinc/05/20/18/360052018.db2.gz VWPGBVATDCCUKJ-JTQLQIEISA-N 1 0 262.313 1.947 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](C)C2)n1 ZINC000166689800 360216805 /nfs/dbraw/zinc/21/68/05/360216805.db2.gz JCSARFJRFWWBAI-VIFPVBQESA-N 1 0 294.311 1.140 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)CC[C@H]21 ZINC000247930309 360247735 /nfs/dbraw/zinc/24/77/35/360247735.db2.gz BZKPZIMRWPEOSD-GHMZBOCLSA-N 1 0 293.323 1.744 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000248168566 360426199 /nfs/dbraw/zinc/42/61/99/360426199.db2.gz UGCLHGDHCKRMPS-TZMCWYRMSA-N 1 0 293.371 1.207 20 5 CDBDRO CC(C)(C)[NH+]1CCC(Nc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000298737539 200521013 /nfs/dbraw/zinc/52/10/13/200521013.db2.gz PGWONXUUWUCLFT-UHFFFAOYSA-N 1 0 294.359 1.642 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(N)=O)cc1[N+](=O)[O-] ZINC000178689569 189137884 /nfs/dbraw/zinc/13/78/84/189137884.db2.gz GVJSOXRCSDNGMW-RKDXNWHRSA-N 1 0 294.311 1.137 20 5 CDBDRO C[N@@H+]1CC[C@@](O)(CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000358344387 360973891 /nfs/dbraw/zinc/97/38/91/360973891.db2.gz VJMGCZHMCYITCG-GFCCVEGCSA-N 1 0 251.286 1.073 20 5 CDBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000367159752 361180483 /nfs/dbraw/zinc/18/04/83/361180483.db2.gz MTJQKGBIGFKLAJ-SNVBAGLBSA-N 1 0 298.368 1.717 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000070075960 361238780 /nfs/dbraw/zinc/23/87/80/361238780.db2.gz VIOMOSBNTDXFKB-PHIMTYICSA-N 1 0 277.324 1.726 20 5 CDBDRO CC(=O)N1CC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000575329493 361483486 /nfs/dbraw/zinc/48/34/86/361483486.db2.gz IQVFAHDPQWWRGC-ZDUSSCGKSA-N 1 0 275.308 1.402 20 5 CDBDRO O=[N+]([O-])c1ccsc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000302022978 201304814 /nfs/dbraw/zinc/30/48/14/201304814.db2.gz OUCYEUXUQDRADG-LLVKDONJSA-N 1 0 297.380 1.815 20 5 CDBDRO CSC[C@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285190280 239132536 /nfs/dbraw/zinc/13/25/36/239132536.db2.gz CIJYRJDZDFWXGO-GFCCVEGCSA-N 1 0 284.381 1.793 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000293050885 239275794 /nfs/dbraw/zinc/27/57/94/239275794.db2.gz LMJWORYMFBZCRF-JTQLQIEISA-N 1 0 292.339 1.082 20 5 CDBDRO O=C(CC[NH2+]CCCCO)Nc1ccccc1[N+](=O)[O-] ZINC000580431507 363907986 /nfs/dbraw/zinc/90/79/86/363907986.db2.gz PIPCDRAVGDDSFU-UHFFFAOYSA-N 1 0 281.312 1.286 20 5 CDBDRO C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000580755723 363943982 /nfs/dbraw/zinc/94/39/82/363943982.db2.gz AHOCRQPQJRQJLL-JQWIXIFHSA-N 1 0 277.324 1.724 20 5 CDBDRO C[C@H]1CSCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174870929 364586126 /nfs/dbraw/zinc/58/61/26/364586126.db2.gz LZSXVRPIFKFMQH-VIFPVBQESA-N 1 0 256.331 1.229 20 5 CDBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000249497695 364757580 /nfs/dbraw/zinc/75/75/80/364757580.db2.gz HICNIBWNEDJRGQ-STQMWFEESA-N 1 0 293.367 1.482 20 5 CDBDRO COCC[N@H+](C)CCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000171129626 365212410 /nfs/dbraw/zinc/21/24/10/365212410.db2.gz VYIFVOWAHLJRII-UHFFFAOYSA-N 1 0 295.339 1.211 20 5 CDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC(C)(C)O ZINC000094774964 366997139 /nfs/dbraw/zinc/99/71/39/366997139.db2.gz XBGYPWXICYGRDA-UHFFFAOYSA-N 1 0 256.277 1.937 20 5 CDBDRO Cc1c(NC(=O)N[C@@H](C)CC[NH3+])cccc1[N+](=O)[O-] ZINC000414708666 241343337 /nfs/dbraw/zinc/34/33/37/241343337.db2.gz QKSVWTLAYIESAH-QMMMGPOBSA-N 1 0 266.301 1.762 20 5 CDBDRO C[N@H+]1CC=C(CNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272009654 367052911 /nfs/dbraw/zinc/05/29/11/367052911.db2.gz SVQTVLRCAYROAD-UHFFFAOYSA-N 1 0 275.308 1.587 20 5 CDBDRO CCC[C@H]([NH2+][C@@H]1COC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000295987875 370822108 /nfs/dbraw/zinc/82/21/08/370822108.db2.gz PIVAKUKVQCLXBE-BFHYXJOUSA-N 1 0 280.324 1.785 20 5 CDBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000232977032 367577729 /nfs/dbraw/zinc/57/77/29/367577729.db2.gz AQXWYMNRHZRSTM-JTQLQIEISA-N 1 0 281.312 1.696 20 5 CDBDRO COc1ccc(CNC(=O)N(C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000417193758 242352965 /nfs/dbraw/zinc/35/29/65/242352965.db2.gz LWVRMZRJKBTVPU-VIFPVBQESA-N 1 0 296.327 1.092 20 5 CDBDRO C[C@@H](NC(=O)N1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000417124848 242327302 /nfs/dbraw/zinc/32/73/02/242327302.db2.gz AFMWVHJEKICTPH-LLVKDONJSA-N 1 0 292.339 1.661 20 5 CDBDRO C[C@H](NC(=O)N1CC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417124841 242328625 /nfs/dbraw/zinc/32/86/25/242328625.db2.gz ADHGELLMFWGEPY-GXSJLCMTSA-N 1 0 278.312 1.398 20 5 CDBDRO C[C@@H](CCN1CCOCC1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000076898116 368069184 /nfs/dbraw/zinc/06/91/84/368069184.db2.gz OYFJRSMCMSBFJC-ZDUSSCGKSA-N 1 0 293.367 1.795 20 5 CDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C[NH3+] ZINC000418511049 243160300 /nfs/dbraw/zinc/16/03/00/243160300.db2.gz ISYXMAIOQJTGAF-LLVKDONJSA-N 1 0 294.355 1.862 20 5 CDBDRO CCOc1cc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000367825737 370924753 /nfs/dbraw/zinc/92/47/53/370924753.db2.gz VOIUYAPMUJIZSV-ITGUQSILSA-N 1 0 292.335 1.664 20 5 CDBDRO C[C@H](Cn1cc([N+](=O)[O-])cc(Cl)c1=O)[NH+](C)C ZINC000330891935 203359681 /nfs/dbraw/zinc/35/96/81/203359681.db2.gz XLWNAYJHIWFLAL-SSDOTTSWSA-N 1 0 259.693 1.360 20 5 CDBDRO [NH3+][C@H]1CCC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000577620787 317368661 /nfs/dbraw/zinc/36/86/61/317368661.db2.gz QZKONNVUTGJEAE-QWHCGFSZSA-N 1 0 265.313 1.443 20 5 CDBDRO C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000330982165 203438764 /nfs/dbraw/zinc/43/87/64/203438764.db2.gz FFZUNMKHAJLXLR-DCAQKATOSA-N 1 0 268.317 1.245 20 5 CDBDRO Cc1cccc(C(=O)N2CCNC[C@@](C)(F)C2)c1[N+](=O)[O-] ZINC000295250438 369748345 /nfs/dbraw/zinc/74/83/45/369748345.db2.gz QEWOMBKMZLHWCR-CQSZACIVSA-N 1 0 295.314 1.677 20 5 CDBDRO COC[C@@](C)([NH3+])CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000276538208 193372590 /nfs/dbraw/zinc/37/25/90/193372590.db2.gz CSFRUJUZGJJEEJ-AWEZNQCLSA-N 1 0 290.323 1.919 20 5 CDBDRO Nc1c(C(=O)NC[C@@H]2CCC[NH2+]C2)cc(F)cc1[N+](=O)[O-] ZINC000129981094 370530861 /nfs/dbraw/zinc/53/08/61/370530861.db2.gz IIXHRWCYCVETKI-MRVPVSSYSA-N 1 0 296.302 1.046 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[C@@H]1[NH3+] ZINC000422711425 245169309 /nfs/dbraw/zinc/16/93/09/245169309.db2.gz GYIHPRGYJMHUIC-RYUDHWBXSA-N 1 0 265.313 1.573 20 5 CDBDRO [NH3+][C@H](CNC/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000414892494 371032514 /nfs/dbraw/zinc/03/25/14/371032514.db2.gz JFXZOUAKDKYQLN-HSBHDXMMSA-N 1 0 261.325 1.935 20 5 CDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CN ZINC000414942696 371136876 /nfs/dbraw/zinc/13/68/76/371136876.db2.gz KNIXSEGTYGEBOJ-MNOVXSKESA-N 1 0 251.330 1.853 20 5 CDBDRO CC[C@@H]([NH3+])CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000414972250 371196967 /nfs/dbraw/zinc/19/69/67/371196967.db2.gz AQEPFVDZLLSRGX-SNVBAGLBSA-N 1 0 283.328 1.439 20 5 CDBDRO Nc1c(C(=O)N[C@H]2CC23CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000368217049 371905294 /nfs/dbraw/zinc/90/52/94/371905294.db2.gz SORWSOORFCQITE-NSHDSACASA-N 1 0 290.323 1.049 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@]1(O)CCOC1 ZINC000179025748 372238188 /nfs/dbraw/zinc/23/81/88/372238188.db2.gz QQILCDBLEFOUEI-CQSZACIVSA-N 1 0 296.323 1.235 20 5 CDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000266457292 372844509 /nfs/dbraw/zinc/84/45/09/372844509.db2.gz YUXMZSJHRAXXDI-JTQLQIEISA-N 1 0 280.328 1.337 20 5 CDBDRO CC[N@H+](CCOC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269621847 373169433 /nfs/dbraw/zinc/16/94/33/373169433.db2.gz BARRVTJTLINOMQ-ZDUSSCGKSA-N 1 0 268.313 1.597 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000389747472 373138593 /nfs/dbraw/zinc/13/85/93/373138593.db2.gz HVSWZEPDKFXSAC-YXZYKRAASA-N 1 0 289.335 1.722 20 5 CDBDRO COC[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269647256 373301281 /nfs/dbraw/zinc/30/12/81/373301281.db2.gz LDXRCDSKLBLJJS-SWLSCSKDSA-N 1 0 294.351 1.987 20 5 CDBDRO CC(C)c1ccc(C(=O)NCC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000423475193 245839849 /nfs/dbraw/zinc/83/98/49/245839849.db2.gz IORDCZQNBDGHJC-UHFFFAOYSA-N 1 0 277.324 1.667 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368379452 373836041 /nfs/dbraw/zinc/83/60/41/373836041.db2.gz UVMFKJZFHGDIPS-ZDUSSCGKSA-N 1 0 289.335 1.775 20 5 CDBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1ccc([N+](=O)[O-])s1 ZINC000368385686 373836492 /nfs/dbraw/zinc/83/64/92/373836492.db2.gz PYIRELXGVSTAOS-SECBINFHSA-N 1 0 281.337 1.528 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C[NH3+])C1 ZINC000347111861 374047934 /nfs/dbraw/zinc/04/79/34/374047934.db2.gz QCIFDHNLCMEHHW-LLVKDONJSA-N 1 0 279.340 1.774 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000113513293 374260787 /nfs/dbraw/zinc/26/07/87/374260787.db2.gz GXEIDEFSBGTMOU-ZDUSSCGKSA-N 1 0 263.341 1.978 20 5 CDBDRO CC(C)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000298848077 374235000 /nfs/dbraw/zinc/23/50/00/374235000.db2.gz AWIKDKAWIWFEBM-UHFFFAOYSA-N 1 0 280.328 1.337 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[NH2+]C1 ZINC000423857156 246149918 /nfs/dbraw/zinc/14/99/18/246149918.db2.gz YAPXSNTZEFYTQH-VIFPVBQESA-N 1 0 283.715 1.474 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)C[NH3+] ZINC000423469851 374383743 /nfs/dbraw/zinc/38/37/43/374383743.db2.gz YXJZMIYPIMPYBT-SECBINFHSA-N 1 0 281.312 1.318 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429225375 374575206 /nfs/dbraw/zinc/57/52/06/374575206.db2.gz FOHRLWCUKRDFLI-JTQLQIEISA-N 1 0 288.307 1.291 20 5 CDBDRO CS(=O)(=O)CCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000424170219 246367930 /nfs/dbraw/zinc/36/79/30/246367930.db2.gz JQXMLSLPRABZSL-UHFFFAOYSA-N 1 0 286.353 1.509 20 5 CDBDRO CC(C)([NH3+])CCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000070088031 374647794 /nfs/dbraw/zinc/64/77/94/374647794.db2.gz FJPDRPOHXBBMRD-UHFFFAOYSA-N 1 0 279.340 1.771 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000070172630 374653626 /nfs/dbraw/zinc/65/36/26/374653626.db2.gz MNVVFEGQNRASLS-BDAKNGLRSA-N 1 0 283.353 1.856 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070231920 374657074 /nfs/dbraw/zinc/65/70/74/374657074.db2.gz ZXYPRWRJTRAOPR-UHFFFAOYSA-N 1 0 285.731 1.882 20 5 CDBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000447840948 374716579 /nfs/dbraw/zinc/71/65/79/374716579.db2.gz VOCINVCSDAOKLO-RYUDHWBXSA-N 1 0 282.344 1.417 20 5 CDBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000278073464 374829469 /nfs/dbraw/zinc/82/94/69/374829469.db2.gz XGKDLDUKZMUFAH-LLVKDONJSA-N 1 0 292.339 1.670 20 5 CDBDRO Cc1c(CNC(=O)[C@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000331159107 374897426 /nfs/dbraw/zinc/89/74/26/374897426.db2.gz ZMFHDPZDRIPQHN-CYBMUJFWSA-N 1 0 277.324 1.614 20 5 CDBDRO Cc1ccccc1[C@@H](CO)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000543839916 374937812 /nfs/dbraw/zinc/93/78/12/374937812.db2.gz OALGWANTONCTMR-CYBMUJFWSA-N 1 0 290.323 1.423 20 5 CDBDRO CC1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000279766542 374958246 /nfs/dbraw/zinc/95/82/46/374958246.db2.gz MSYDTCUJXRRMQY-GFCCVEGCSA-N 1 0 250.298 1.798 20 5 CDBDRO Cc1c(C(=O)NCC[N@H+]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000279905943 374973586 /nfs/dbraw/zinc/97/35/86/374973586.db2.gz FAUJPOKJMCVRBU-UHFFFAOYSA-N 1 0 289.335 1.895 20 5 CDBDRO C[C@@]1(O)CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000280143492 374984295 /nfs/dbraw/zinc/98/42/95/374984295.db2.gz REFVGCFWBYSEOR-HUUCEWRRSA-N 1 0 294.351 1.865 20 5 CDBDRO COc1ccc(NC(=O)[C@H]([NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000130164350 375037405 /nfs/dbraw/zinc/03/74/05/375037405.db2.gz CAHFSJBHZYURFI-SNVBAGLBSA-N 1 0 281.312 1.915 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[N@H+](CCO)C(C)(C)C1 ZINC000302556973 375214814 /nfs/dbraw/zinc/21/48/14/375214814.db2.gz RZBKDBSEDRWXOZ-UHFFFAOYSA-N 1 0 293.367 1.796 20 5 CDBDRO COc1ccc(OCC[N@H+](C)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000132149954 375404593 /nfs/dbraw/zinc/40/45/93/375404593.db2.gz NTHAEOCDNQIZMU-JTQLQIEISA-N 1 0 284.312 1.295 20 5 CDBDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000162746302 375504428 /nfs/dbraw/zinc/50/44/28/375504428.db2.gz PHQBKLXCQYAFMM-ZYHUDNBSSA-N 1 0 250.298 1.798 20 5 CDBDRO CCOC[C@@H](O)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344818119 375527095 /nfs/dbraw/zinc/52/70/95/375527095.db2.gz FCPQSPJMOPEZMB-XCHKQJEOSA-N 1 0 294.351 1.985 20 5 CDBDRO CC1CC[NH+](CCNC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000603668473 375591225 /nfs/dbraw/zinc/59/12/25/375591225.db2.gz LWTPXSHSUPONNH-UHFFFAOYSA-N 1 0 294.355 1.395 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000132720957 375577672 /nfs/dbraw/zinc/57/76/72/375577672.db2.gz GMVMPJPZOZDRSI-RKDXNWHRSA-N 1 0 281.287 1.556 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H]3CCC[C@H]32)c1 ZINC000426473246 247030181 /nfs/dbraw/zinc/03/01/81/247030181.db2.gz DOFNAKXWZPNTMO-RAIGVLPGSA-N 1 0 280.328 1.027 20 5 CDBDRO CC[C@@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000294046964 375654971 /nfs/dbraw/zinc/65/49/71/375654971.db2.gz JCJSHTZOXUWXKO-JTQLQIEISA-N 1 0 256.277 1.937 20 5 CDBDRO C[C@@H]1[C@H](C)N(CCOc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000357048364 375672688 /nfs/dbraw/zinc/67/26/88/375672688.db2.gz ZSMKCSHJXXDZKD-OLZOCXBDSA-N 1 0 293.367 1.998 20 5 CDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000356881832 375866059 /nfs/dbraw/zinc/86/60/59/375866059.db2.gz OSUIRRGCEGXWDO-VXGBXAGGSA-N 1 0 291.351 1.688 20 5 CDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000356881829 375867157 /nfs/dbraw/zinc/86/71/57/375867157.db2.gz OSUIRRGCEGXWDO-NWDGAFQWSA-N 1 0 291.351 1.688 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000194705248 375955878 /nfs/dbraw/zinc/95/58/78/375955878.db2.gz UYCXSAUKDZQKKP-GFCCVEGCSA-N 1 0 293.323 1.184 20 5 CDBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000358304695 375960559 /nfs/dbraw/zinc/96/05/59/375960559.db2.gz LTXVPNBQAIDTCP-LLVKDONJSA-N 1 0 296.371 1.784 20 5 CDBDRO CCCN(C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000058234900 376045916 /nfs/dbraw/zinc/04/59/16/376045916.db2.gz PSSPIGYGZDDZGW-LLVKDONJSA-N 1 0 277.324 1.809 20 5 CDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCC[NH2+]1 ZINC000261779899 190043957 /nfs/dbraw/zinc/04/39/57/190043957.db2.gz TXGMXJQERCZUFH-LLVKDONJSA-N 1 0 283.715 1.616 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000172295130 377431647 /nfs/dbraw/zinc/43/16/47/377431647.db2.gz GGYPZFZBLHUCAK-CYBMUJFWSA-N 1 0 280.324 1.568 20 5 CDBDRO CC[C@H](O)C[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000266840561 377464568 /nfs/dbraw/zinc/46/45/68/377464568.db2.gz MFRIMQBLRHCATQ-LBPRGKRZSA-N 1 0 294.355 1.191 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373061495 296263097 /nfs/dbraw/zinc/26/30/97/296263097.db2.gz ZNRKYKYKVPYJLL-CMPLNLGQSA-N 1 0 275.308 1.419 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365363756 284667580 /nfs/dbraw/zinc/66/75/80/284667580.db2.gz WYSKUFOAQPUGMD-GWCFXTLKSA-N 1 0 275.308 1.419 20 5 CDBDRO C[C@H](O)C[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000245773549 379326496 /nfs/dbraw/zinc/32/64/96/379326496.db2.gz KYPQJGCOJGOEEG-GWCFXTLKSA-N 1 0 293.323 1.013 20 5 CDBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000174646159 379547503 /nfs/dbraw/zinc/54/75/03/379547503.db2.gz FLQIRUIISIEAKT-ZDUSSCGKSA-N 1 0 282.344 1.417 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000458177293 252537525 /nfs/dbraw/zinc/53/75/25/252537525.db2.gz VJUMMZMXUSIZRM-JTQLQIEISA-N 1 0 280.328 1.385 20 5 CDBDRO Cn1c(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000449638407 250945833 /nfs/dbraw/zinc/94/58/33/250945833.db2.gz KNOBFDFBUMVDOS-NXEZZACHSA-N 1 0 280.328 1.181 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000417762972 532960343 /nfs/dbraw/zinc/96/03/43/532960343.db2.gz JRMZXIRJPUYVNV-GFCCVEGCSA-N 1 0 292.339 1.141 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261588736 285095736 /nfs/dbraw/zinc/09/57/36/285095736.db2.gz KIJVMFIRSHCRCP-ZDUSSCGKSA-N 1 0 265.288 1.924 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000093097716 285116764 /nfs/dbraw/zinc/11/67/64/285116764.db2.gz ITBOPKXGBUBYOB-PHIMTYICSA-N 1 0 281.743 1.899 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493100003 253369810 /nfs/dbraw/zinc/36/98/10/253369810.db2.gz AFOWDOCFYNYCLG-HYYFJVDXSA-N 1 0 281.287 1.601 20 5 CDBDRO Cc1cc(OCC(=O)N(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000281263663 195171852 /nfs/dbraw/zinc/17/18/52/195171852.db2.gz FUICFXKPCYFJHK-UHFFFAOYSA-N 1 0 295.339 1.302 20 5 CDBDRO CC[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000281402581 195226811 /nfs/dbraw/zinc/22/68/11/195226811.db2.gz NQKTWJMXHPWFDD-LBPRGKRZSA-N 1 0 268.317 1.292 20 5 CDBDRO CN(CCC[NH+]1CCCC1)c1ncccc1[N+](=O)[O-] ZINC000281800052 195386897 /nfs/dbraw/zinc/38/68/97/195386897.db2.gz IMQMHOLDUJUKEI-UHFFFAOYSA-N 1 0 264.329 1.912 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccccc1[N+](=O)[O-] ZINC000320479717 390466089 /nfs/dbraw/zinc/46/60/89/390466089.db2.gz GTESQXMQOAPXLV-DTWKUNHWSA-N 1 0 251.286 1.450 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000450791913 390553876 /nfs/dbraw/zinc/55/38/76/390553876.db2.gz JMKVMOXPQRHGRJ-TXEJJXNPSA-N 1 0 294.355 1.190 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000451626444 390635301 /nfs/dbraw/zinc/63/53/01/390635301.db2.gz FAVDBHMEPKVWNS-DOMZBBRYSA-N 1 0 291.351 1.610 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000286914946 390814906 /nfs/dbraw/zinc/81/49/06/390814906.db2.gz HUUBYOYMFAKDTG-QMMMGPOBSA-N 1 0 269.276 1.414 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000394303183 390824900 /nfs/dbraw/zinc/82/49/00/390824900.db2.gz AEOGVWVVFLUEQG-ZADCQDASSA-N 1 0 277.324 1.580 20 5 CDBDRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000184805478 391001992 /nfs/dbraw/zinc/00/19/92/391001992.db2.gz AKSVUWOGGGKCSE-ZIAGYGMSSA-N 1 0 291.351 1.771 20 5 CDBDRO [NH3+]CCCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000517378825 391102920 /nfs/dbraw/zinc/10/29/20/391102920.db2.gz WJPGLOIBXZJJQQ-UHFFFAOYSA-N 1 0 277.324 1.825 20 5 CDBDRO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449276875 391054757 /nfs/dbraw/zinc/05/47/57/391054757.db2.gz DDIUQEBWRLBFMK-NEPJUHHUSA-N 1 0 293.367 1.982 20 5 CDBDRO Cc1c(C(=O)NCC[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000063170236 391152975 /nfs/dbraw/zinc/15/29/75/391152975.db2.gz FCVXXFCTQGQXHW-MRVPVSSYSA-N 1 0 251.286 1.370 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1C[NH2+]CCO1 ZINC000415097919 391257042 /nfs/dbraw/zinc/25/70/42/391257042.db2.gz ULDLYTJFULGRAX-CYBMUJFWSA-N 1 0 295.339 1.072 20 5 CDBDRO Cc1nc(NCCCC[N@@H+](C)C2CC2)ncc1[N+](=O)[O-] ZINC000413350131 391204548 /nfs/dbraw/zinc/20/45/48/391204548.db2.gz VKZYIOBDBNEIIO-UHFFFAOYSA-N 1 0 279.344 1.401 20 5 CDBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000345679940 391303930 /nfs/dbraw/zinc/30/39/30/391303930.db2.gz DPVNZTGLIHYWCQ-UHFFFAOYSA-N 1 0 282.344 1.727 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449742740 391309362 /nfs/dbraw/zinc/30/93/62/391309362.db2.gz QSGHTLUOPFUTNN-OCCSQVGLSA-N 1 0 289.335 1.348 20 5 CDBDRO COCC[NH2+]CCNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000415495000 391467832 /nfs/dbraw/zinc/46/78/32/391467832.db2.gz FNVRDPQTILJDBS-UHFFFAOYSA-N 1 0 296.327 1.261 20 5 CDBDRO C[C@H]1[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000345308468 391645666 /nfs/dbraw/zinc/64/56/66/391645666.db2.gz XMDKPQXOXFKPSQ-ONGXEEELSA-N 1 0 292.339 1.390 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000089107168 391698971 /nfs/dbraw/zinc/69/89/71/391698971.db2.gz UYJQRKYRXMUCOS-WPRPVWTQSA-N 1 0 266.301 1.170 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000053253465 391709813 /nfs/dbraw/zinc/70/98/13/391709813.db2.gz JNUZEAXKVFOHOS-VIFPVBQESA-N 1 0 283.715 1.730 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000341921785 130131616 /nfs/dbraw/zinc/13/16/16/130131616.db2.gz UZUJNGGFZIHESV-COPLHBTASA-N 1 0 291.351 1.970 20 5 CDBDRO [NH3+][C@@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000133122749 391918073 /nfs/dbraw/zinc/91/80/73/391918073.db2.gz FFKFWXNEQKCGKD-GUOLPTJISA-N 1 0 275.308 1.462 20 5 CDBDRO CC1(C)C[NH2+][C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000591674968 391981200 /nfs/dbraw/zinc/98/12/00/391981200.db2.gz FOLWGRXRSOUKII-LBPRGKRZSA-N 1 0 275.308 1.482 20 5 CDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH3+])CC1 ZINC000237057837 131001367 /nfs/dbraw/zinc/00/13/67/131001367.db2.gz ADGXUHYAPBTBFY-UHFFFAOYSA-N 1 0 292.339 1.224 20 5 CDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H](C)O ZINC000245923234 131089992 /nfs/dbraw/zinc/08/99/92/131089992.db2.gz XCGMKDOKRYMMKW-VHSXEESVSA-N 1 0 281.312 1.234 20 5 CDBDRO C[NH2+]CCC1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000262114431 131192099 /nfs/dbraw/zinc/19/20/99/131192099.db2.gz UXTLAXOZADIDLZ-UHFFFAOYSA-N 1 0 295.343 1.088 20 5 CDBDRO Nc1ccc(C(=O)NC2(C[NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000262578345 131236067 /nfs/dbraw/zinc/23/60/67/131236067.db2.gz MGWGZVAFIKWWFQ-UHFFFAOYSA-N 1 0 278.312 1.178 20 5 CDBDRO CN(CC(C)(C)C[NH3+])C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000262583587 131236769 /nfs/dbraw/zinc/23/67/69/131236769.db2.gz MHPGNANSRJMWFR-UHFFFAOYSA-N 1 0 280.328 1.234 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000262759739 131259736 /nfs/dbraw/zinc/25/97/36/131259736.db2.gz IHIHULSKXXWFLS-VXGBXAGGSA-N 1 0 291.351 1.736 20 5 CDBDRO Cc1cc(C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000262811161 131263744 /nfs/dbraw/zinc/26/37/44/131263744.db2.gz QYNHUCJXYWEYEK-QWRGUYRKSA-N 1 0 277.324 1.726 20 5 CDBDRO Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000262830099 131265227 /nfs/dbraw/zinc/26/52/27/131265227.db2.gz QGUBIDHJPDVHEI-ZYHUDNBSSA-N 1 0 277.324 1.631 20 5 CDBDRO CSc1ccc(C(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000192806653 392389437 /nfs/dbraw/zinc/38/94/37/392389437.db2.gz NOTBPYAKWHHTHW-UHFFFAOYSA-N 1 0 297.380 1.998 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000442786511 392496357 /nfs/dbraw/zinc/49/63/57/392496357.db2.gz ZMQNUVRWEMRGAC-ZJUUUORDSA-N 1 0 267.304 1.903 20 5 CDBDRO CCOC[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000459716260 392502606 /nfs/dbraw/zinc/50/26/06/392502606.db2.gz PXUAYDWVHDYCNY-GFCCVEGCSA-N 1 0 282.344 1.682 20 5 CDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC(C)(C)C1 ZINC000459737157 392503878 /nfs/dbraw/zinc/50/38/78/392503878.db2.gz HNOXBHWDMOMSSR-GFCCVEGCSA-N 1 0 282.344 1.273 20 5 CDBDRO CN(Cc1c([N+](=O)[O-])ncn1C)C(C)(C)C[NH+]1CCCC1 ZINC000419381389 392891305 /nfs/dbraw/zinc/89/13/05/392891305.db2.gz VSSKSJAVPVBPJG-UHFFFAOYSA-N 1 0 295.387 1.635 20 5 CDBDRO C[C@@H]1[C@H](C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000419373477 392892208 /nfs/dbraw/zinc/89/22/08/392892208.db2.gz OICILMANOQWBLB-MXWKQRLJSA-N 1 0 252.318 1.768 20 5 CDBDRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000419832648 392897567 /nfs/dbraw/zinc/89/75/67/392897567.db2.gz VOYFAKSLWDDUGI-JSGCOSHPSA-N 1 0 282.340 1.515 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](CCO)CC2)n1 ZINC000421026256 392927572 /nfs/dbraw/zinc/92/75/72/392927572.db2.gz ZXQOPLXTYHAZTE-GFCCVEGCSA-N 1 0 282.344 1.276 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000421403807 392934854 /nfs/dbraw/zinc/93/48/54/392934854.db2.gz XYRONJHNXZQFKL-LLVKDONJSA-N 1 0 288.311 1.076 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000421700275 392942028 /nfs/dbraw/zinc/94/20/28/392942028.db2.gz DNPWFQMHQVZBIB-ZDUSSCGKSA-N 1 0 291.351 1.690 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000269253392 132143522 /nfs/dbraw/zinc/14/35/22/132143522.db2.gz GYFRUHLTKGCAOA-NSHDSACASA-N 1 0 295.339 1.463 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000313796217 392957266 /nfs/dbraw/zinc/95/72/66/392957266.db2.gz FAFLVBPBGGESSJ-LFAOLKIESA-N 1 0 289.335 1.805 20 5 CDBDRO CCC[NH2+]CCN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423305688 392960975 /nfs/dbraw/zinc/96/09/75/392960975.db2.gz CENCZBIFWHTYQM-STQMWFEESA-N 1 0 295.387 1.864 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]1 ZINC000423232135 392961165 /nfs/dbraw/zinc/96/11/65/392961165.db2.gz HNGPYCRAJLXHCP-AAEUAGOBSA-N 1 0 263.341 1.867 20 5 CDBDRO C[N@H+](CCCO)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000115519754 392971752 /nfs/dbraw/zinc/97/17/52/392971752.db2.gz QIIKHANIXYWQTO-UHFFFAOYSA-N 1 0 293.367 1.878 20 5 CDBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[NH3+])cc1SC ZINC000194905886 393008285 /nfs/dbraw/zinc/00/82/85/393008285.db2.gz IAWLKRLBCVIYGJ-SSDOTTSWSA-N 1 0 299.352 1.402 20 5 CDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000429772579 393085307 /nfs/dbraw/zinc/08/53/07/393085307.db2.gz JKYMBWGCHGHRDH-ZIAGYGMSSA-N 1 0 291.351 1.642 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](O)C1CCC1 ZINC000316569026 393056556 /nfs/dbraw/zinc/05/65/56/393056556.db2.gz LSRDNOYRWICIPD-CYBMUJFWSA-N 1 0 250.298 1.845 20 5 CDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532145706 393069276 /nfs/dbraw/zinc/06/92/76/393069276.db2.gz VBBVQZURTIBZGH-SNVBAGLBSA-N 1 0 278.312 1.156 20 5 CDBDRO COC[C@]1(CO)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000449699725 393139517 /nfs/dbraw/zinc/13/95/17/393139517.db2.gz PCARPUXGPLHBQH-CQSZACIVSA-N 1 0 280.324 1.426 20 5 CDBDRO Cc1nn(C)c(NC[C@@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000037647716 393223675 /nfs/dbraw/zinc/22/36/75/393223675.db2.gz DMSMUOYVACPUJB-VIFPVBQESA-N 1 0 253.306 1.000 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1c1ccc(F)cc1[N+](=O)[O-] ZINC000216215259 393209968 /nfs/dbraw/zinc/20/99/68/393209968.db2.gz KOANOMRGPLDYOY-IUCAKERBSA-N 1 0 253.277 1.907 20 5 CDBDRO COc1cccc(C(=O)NC[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000195442033 393214435 /nfs/dbraw/zinc/21/44/35/393214435.db2.gz DBZQAUKUYCCCMR-SNVBAGLBSA-N 1 0 293.323 1.285 20 5 CDBDRO C[C@@H]([NH3+])CCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493631375 393215613 /nfs/dbraw/zinc/21/56/13/393215613.db2.gz UCMIWNFCJYVROH-HYYFJVDXSA-N 1 0 281.287 1.601 20 5 CDBDRO C[NH+](C)C1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000135024138 393294946 /nfs/dbraw/zinc/29/49/46/393294946.db2.gz SOEYIERNSGSLEN-UHFFFAOYSA-N 1 0 283.715 1.634 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](C[C@@H](C)O)CC1 ZINC000275800059 135113251 /nfs/dbraw/zinc/11/32/51/135113251.db2.gz JZXPSETXPLUSMF-GFCCVEGCSA-N 1 0 279.340 1.406 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000135230887 139885879 /nfs/dbraw/zinc/88/58/79/139885879.db2.gz NBTSBSXJBJFUTR-SNVBAGLBSA-N 1 0 265.313 1.489 20 5 CDBDRO CNC(=O)c1ccc(NC[C@@H](C)C[NH2+]C)c([N+](=O)[O-])c1 ZINC000213353634 140160364 /nfs/dbraw/zinc/16/03/64/140160364.db2.gz PWSMZLZJIQYSIX-VIFPVBQESA-N 1 0 280.328 1.222 20 5 CDBDRO C[C@H]([NH2+]C[C@H](O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000224472687 140173545 /nfs/dbraw/zinc/17/35/45/140173545.db2.gz CMYPPVYYOJQTDB-XVKPBYJWSA-N 1 0 260.240 1.871 20 5 CDBDRO Cc1cc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ncc1[N+](=O)[O-] ZINC000252639091 140322426 /nfs/dbraw/zinc/32/24/26/140322426.db2.gz JLROGEZBNFISDW-NWDGAFQWSA-N 1 0 292.339 1.573 20 5 CDBDRO Cc1ccnc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000252675283 140322953 /nfs/dbraw/zinc/32/29/53/140322953.db2.gz ZELXOTZYJFOEAR-RYUDHWBXSA-N 1 0 292.339 1.573 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252883935 140329501 /nfs/dbraw/zinc/32/95/01/140329501.db2.gz VTZZUTQYCKSSBA-LEWSCRJBSA-N 1 0 292.335 1.806 20 5 CDBDRO O=[N+]([O-])c1cccc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261586034 140357002 /nfs/dbraw/zinc/35/70/02/140357002.db2.gz IQWNLAXWFIJELW-CHWSQXEVSA-N 1 0 261.325 1.636 20 5 CDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@H]2C)cc1[N+](=O)[O-] ZINC000261674649 140373041 /nfs/dbraw/zinc/37/30/41/140373041.db2.gz GGGVSLASLBEWIG-KOLCDFICSA-N 1 0 299.352 1.013 20 5 CDBDRO COc1cc(C(=O)N2CC[C@@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000261714790 140380473 /nfs/dbraw/zinc/38/04/73/140380473.db2.gz PNEGHWZQWJJTOI-AWEZNQCLSA-N 1 0 293.323 1.414 20 5 CDBDRO COc1cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000261779088 140388466 /nfs/dbraw/zinc/38/84/66/140388466.db2.gz WUDYBSRCBDMLKJ-VHSXEESVSA-N 1 0 295.314 1.788 20 5 CDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000033093659 397883417 /nfs/dbraw/zinc/88/34/17/397883417.db2.gz BFUFBGXMGWBKBH-MRVPVSSYSA-N 1 0 285.731 1.928 20 5 CDBDRO C[NH2+][C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000129090024 147613197 /nfs/dbraw/zinc/61/31/97/147613197.db2.gz YWLHWCDNOLDFJT-QMMMGPOBSA-N 1 0 256.693 1.441 20 5 CDBDRO CSC[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000311446075 149213443 /nfs/dbraw/zinc/21/34/43/149213443.db2.gz QUZOWFBBGIACAL-LBPRGKRZSA-N 1 0 288.344 1.938 20 5 CDBDRO C[C@H](NC(=O)[C@H]([NH3+])CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000312516808 149233589 /nfs/dbraw/zinc/23/35/89/149233589.db2.gz SUSGZKKKFNBRSK-OIBJUYFYSA-N 1 0 287.266 1.755 20 5 CDBDRO COc1ccc(C[NH2+]C[C@@](C)(O)C2CC2)cc1[N+](=O)[O-] ZINC000312965545 149240817 /nfs/dbraw/zinc/24/08/17/149240817.db2.gz JXFRVYJCXXCOHW-CQSZACIVSA-N 1 0 280.324 1.854 20 5 CDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H]1O ZINC000352658899 155327420 /nfs/dbraw/zinc/32/74/20/155327420.db2.gz KWGFSHSNTMVXFP-KGLIPLIRSA-N 1 0 280.324 1.819 20 5 CDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H]1O ZINC000352668283 155341333 /nfs/dbraw/zinc/34/13/33/155341333.db2.gz QSPVNNXZDLJYDG-STQMWFEESA-N 1 0 250.298 1.940 20 5 CDBDRO COc1cc(C[N@H+](C)[C@@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000352668691 155341772 /nfs/dbraw/zinc/34/17/72/155341772.db2.gz UIPODEHRWMTIAT-YPMHNXCESA-N 1 0 280.324 1.949 20 5 CDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH3+])C1 ZINC000346080469 153045236 /nfs/dbraw/zinc/04/52/36/153045236.db2.gz DAJBCWCJVXYGCW-MNOVXSKESA-N 1 0 292.339 1.345 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000346260921 153116351 /nfs/dbraw/zinc/11/63/51/153116351.db2.gz LCOGDHBGFSAGGR-SNVBAGLBSA-N 1 0 281.312 1.040 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH3+])C2CC2)c1 ZINC000088147814 292283154 /nfs/dbraw/zinc/28/31/54/292283154.db2.gz FLXVACVIWNJYLJ-NSHDSACASA-N 1 0 263.297 1.370 20 5 CDBDRO COC(=O)[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000347045481 153392293 /nfs/dbraw/zinc/39/22/93/153392293.db2.gz NSPAZBGALTWQPD-GWCFXTLKSA-N 1 0 278.308 1.978 20 5 CDBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000349906074 154266211 /nfs/dbraw/zinc/26/62/11/154266211.db2.gz GFWPSEPYVIYVMV-LURJTMIESA-N 1 0 251.246 1.123 20 5 CDBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](C)O ZINC000352200964 155017165 /nfs/dbraw/zinc/01/71/65/155017165.db2.gz CKUPEXQTIBPWMB-LLVKDONJSA-N 1 0 295.339 1.626 20 5 CDBDRO Cc1c(C[N@@H+]2CC[C@@H](n3cncn3)C2)cccc1[N+](=O)[O-] ZINC000375331429 160369565 /nfs/dbraw/zinc/36/95/65/160369565.db2.gz HBWXNTWCIRPETM-CYBMUJFWSA-N 1 0 287.323 1.942 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1c([N+](=O)[O-])ncn1C ZINC000355789707 157236036 /nfs/dbraw/zinc/23/60/36/157236036.db2.gz QUSYSMCOAHPPGK-LLVKDONJSA-N 1 0 281.360 1.244 20 5 CDBDRO Cc1ccc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000359472887 158257191 /nfs/dbraw/zinc/25/71/91/158257191.db2.gz MSHJJBPITCNMNI-CHWSQXEVSA-N 1 0 261.325 1.554 20 5 CDBDRO CCC[N@H+](C)CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000359523716 158276072 /nfs/dbraw/zinc/27/60/72/158276072.db2.gz ZLECUGSWWDFTGV-UHFFFAOYSA-N 1 0 279.340 1.595 20 5 CDBDRO COC1(C[NH2+]CCn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000359685420 158334951 /nfs/dbraw/zinc/33/49/51/158334951.db2.gz KHVLXVSFLNCFNM-UHFFFAOYSA-N 1 0 268.317 1.340 20 5 CDBDRO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CC[C@H](C)C1 ZINC000362149694 159084216 /nfs/dbraw/zinc/08/42/16/159084216.db2.gz NHXBWVSOHBZYMG-QWHCGFSZSA-N 1 0 296.371 1.928 20 5 CDBDRO O=[N+]([O-])c1cnn(CCN2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000363042977 159291902 /nfs/dbraw/zinc/29/19/02/159291902.db2.gz TXHYXEHCXYROGE-CYBMUJFWSA-N 1 0 293.371 1.352 20 5 CDBDRO CCc1nn(C)c(N2CCC[C@@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000373034515 160166796 /nfs/dbraw/zinc/16/67/96/160166796.db2.gz ZQKSBZJMHUKQBF-LLVKDONJSA-N 1 0 295.387 1.811 20 5 CDBDRO CO[C@@]1(C)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000373645370 160217972 /nfs/dbraw/zinc/21/79/72/160217972.db2.gz CRSCDZAFUVWTIZ-ZDUSSCGKSA-N 1 0 282.344 1.682 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CC([C@@H]3CCOC3)C2)c1 ZINC000373642937 160218047 /nfs/dbraw/zinc/21/80/47/160218047.db2.gz WCFGWOKHGLSZCX-DOMZBBRYSA-N 1 0 292.335 1.597 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000374912234 160326686 /nfs/dbraw/zinc/32/66/86/160326686.db2.gz NVTHVDTZMUJCMV-BXUZGUMPSA-N 1 0 289.335 1.761 20 5 CDBDRO CC[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000268827835 286930926 /nfs/dbraw/zinc/93/09/26/286930926.db2.gz LSIAVEBYXHRECL-WCQYABFASA-N 1 0 277.324 1.866 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000020497600 171227030 /nfs/dbraw/zinc/22/70/30/171227030.db2.gz MMRYQXYTZPWUAB-UHFFFAOYSA-N 1 0 293.323 1.138 20 5 CDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000021816369 171332361 /nfs/dbraw/zinc/33/23/61/171332361.db2.gz WIOBJKOOGIXAOT-JTQLQIEISA-N 1 0 299.352 1.015 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000022704344 171396241 /nfs/dbraw/zinc/39/62/41/171396241.db2.gz KDALHKQAIFKPLI-UHFFFAOYSA-N 1 0 294.355 1.708 20 5 CDBDRO C[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284848541 196143966 /nfs/dbraw/zinc/14/39/66/196143966.db2.gz ABBAKSLJPXPPQW-BHDSKKPTSA-N 1 0 295.339 1.368 20 5 CDBDRO C[C@H](CO)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000284929577 196159919 /nfs/dbraw/zinc/15/99/19/196159919.db2.gz WCGZHZKVUBMWMA-SNVBAGLBSA-N 1 0 254.286 1.286 20 5 CDBDRO C[C@H](Cn1cccn1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000035272174 172093001 /nfs/dbraw/zinc/09/30/01/172093001.db2.gz BYPDTJUUJGMPOM-LLVKDONJSA-N 1 0 260.297 1.970 20 5 CDBDRO CC(C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000037395885 173175830 /nfs/dbraw/zinc/17/58/30/173175830.db2.gz WPKKYZCNRVEGJO-UHFFFAOYSA-N 1 0 251.286 1.921 20 5 CDBDRO COc1ccc(OC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000043472006 175053934 /nfs/dbraw/zinc/05/39/34/175053934.db2.gz QBVLUIGZVQEGTD-JTQLQIEISA-N 1 0 266.297 1.982 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCN(C3CC3)C2)cc1 ZINC000044685243 175231304 /nfs/dbraw/zinc/23/13/04/175231304.db2.gz CLOPDCAJJYTCCD-GFCCVEGCSA-N 1 0 261.325 1.921 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000071144193 176041311 /nfs/dbraw/zinc/04/13/11/176041311.db2.gz VLSRQAFQVNQUIC-SNVBAGLBSA-N 1 0 278.312 1.668 20 5 CDBDRO CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000071310141 176117178 /nfs/dbraw/zinc/11/71/78/176117178.db2.gz MWIVKCSCXKVGJD-VIFPVBQESA-N 1 0 283.715 1.682 20 5 CDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])cn1 ZINC000078543544 177352480 /nfs/dbraw/zinc/35/24/80/177352480.db2.gz SLVMSAHQRJFCTK-NSHDSACASA-N 1 0 279.344 1.038 20 5 CDBDRO CN1CC[NH2+]C[C@@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000394756010 270338672 /nfs/dbraw/zinc/33/86/72/270338672.db2.gz AZNFWDQBLKBINA-SNVBAGLBSA-N 1 0 268.292 1.049 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000322994541 260119633 /nfs/dbraw/zinc/11/96/33/260119633.db2.gz DIAKYMSLBOBKSJ-QMMMGPOBSA-N 1 0 269.276 1.348 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000518726755 260514553 /nfs/dbraw/zinc/51/45/53/260514553.db2.gz WLYFLWZICFYKPA-MFKMUULPSA-N 1 0 290.323 1.729 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000212098359 265793668 /nfs/dbraw/zinc/79/36/68/265793668.db2.gz GJVQKBQEGIEBAT-ISALQUGTSA-N 1 0 275.308 1.428 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000320865690 270329331 /nfs/dbraw/zinc/32/93/31/270329331.db2.gz NKLNUMXNNCLDFG-VAZREYJMSA-N 1 0 277.324 1.850 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)c1csc([N+](=O)[O-])c1 ZINC000397217727 270347187 /nfs/dbraw/zinc/34/71/87/270347187.db2.gz DCXPVPBUHSMIPD-UHFFFAOYSA-N 1 0 257.315 1.514 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000133311480 273964982 /nfs/dbraw/zinc/96/49/82/273964982.db2.gz OQNBLQSVGVJZRE-JTQLQIEISA-N 1 0 250.302 1.486 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000235327595 274299840 /nfs/dbraw/zinc/29/98/40/274299840.db2.gz GRQLENLEATVSJH-ZWNOBZJWSA-N 1 0 277.324 1.794 20 5 CDBDRO Cc1cc(C(=O)N(C)CC(C)(C)C[NH3+])c(N)c([N+](=O)[O-])c1 ZINC000262581033 274677657 /nfs/dbraw/zinc/67/76/57/274677657.db2.gz JKQQLUSFNABSRT-UHFFFAOYSA-N 1 0 294.355 1.542 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089090931 274796780 /nfs/dbraw/zinc/79/67/80/274796780.db2.gz MJXDVNJASNAWJL-GHMZBOCLSA-N 1 0 277.324 1.760 20 5 CDBDRO Cc1nc(N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000295626563 274842432 /nfs/dbraw/zinc/84/24/32/274842432.db2.gz BGUOMPXBYWLTHH-RYUDHWBXSA-N 1 0 291.355 1.756 20 5 CDBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)nc1 ZINC000301725458 275037172 /nfs/dbraw/zinc/03/71/72/275037172.db2.gz PPZRKHQSCOMGGZ-CYBMUJFWSA-N 1 0 292.339 1.655 20 5 CDBDRO CC[NH2+]CCN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423241165 276266637 /nfs/dbraw/zinc/26/66/37/276266637.db2.gz UQIIUWQKGQTMIC-NSHDSACASA-N 1 0 251.330 1.725 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000430562283 277033183 /nfs/dbraw/zinc/03/31/83/277033183.db2.gz QFCXLIRSGVYCTO-CYBMUJFWSA-N 1 0 279.340 1.657 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(CCn3ccc([N+](=O)[O-])n3)CC[C@H]21 ZINC000247995985 277083420 /nfs/dbraw/zinc/08/34/20/277083420.db2.gz JWIWRPJQSGFBKI-QWHCGFSZSA-N 1 0 293.371 1.207 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000301699492 277084701 /nfs/dbraw/zinc/08/47/01/277084701.db2.gz DYGKSDNJVUKHRG-WCQYABFASA-N 1 0 276.340 1.910 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000237122721 277277913 /nfs/dbraw/zinc/27/79/13/277277913.db2.gz HNFLLEDGKDURPJ-VIFPVBQESA-N 1 0 283.353 1.789 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000122642882 277278057 /nfs/dbraw/zinc/27/80/57/277278057.db2.gz YWFUFVYYMMDVEX-LBPRGKRZSA-N 1 0 263.297 1.419 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH3+])C2CC2)c1 ZINC000159051455 277430856 /nfs/dbraw/zinc/43/08/56/277430856.db2.gz PKVLULFHMHVRKE-NSHDSACASA-N 1 0 279.296 1.071 20 5 CDBDRO C[C@@H](O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000131129215 277640977 /nfs/dbraw/zinc/64/09/77/277640977.db2.gz QMRMDVJFVBKQAY-ZWNOBZJWSA-N 1 0 264.325 1.886 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](C)[NH3+])c1 ZINC000449591231 278174906 /nfs/dbraw/zinc/17/49/06/278174906.db2.gz MEGOSOXSIOLTHJ-HTQZYQBOSA-N 1 0 283.353 1.782 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000235351400 288032209 /nfs/dbraw/zinc/03/22/09/288032209.db2.gz FDABIRCZEWEYLB-XCBNKYQSSA-N 1 0 267.260 1.153 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000262821128 278840097 /nfs/dbraw/zinc/84/00/97/278840097.db2.gz POBYAODLLSZJOH-KCJUWKMLSA-N 1 0 297.742 1.976 20 5 CDBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1c([N+](=O)[O-])ncn1C ZINC000048921610 279165023 /nfs/dbraw/zinc/16/50/23/279165023.db2.gz RUJAWBKOBFOEOO-GHMZBOCLSA-N 1 0 281.360 1.861 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCN2CCC[NH2+]CC2)cc1 ZINC000071978875 279209989 /nfs/dbraw/zinc/20/99/89/279209989.db2.gz HUOBTCUSUNLLHW-UHFFFAOYSA-N 1 0 265.313 1.269 20 5 CDBDRO CN(C(=O)C[N@H+](C)CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000077194531 279228942 /nfs/dbraw/zinc/22/89/42/279228942.db2.gz CPSDQZYCBUJEGS-UHFFFAOYSA-N 1 0 277.324 1.899 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000108344910 279306145 /nfs/dbraw/zinc/30/61/45/279306145.db2.gz ZXIKDLXQOXDJNR-SNVBAGLBSA-N 1 0 295.314 1.806 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@H](C[NH3+])C1CCCCC1 ZINC000130857661 279385658 /nfs/dbraw/zinc/38/56/58/279385658.db2.gz WSGYLHIPCUBEKN-SNVBAGLBSA-N 1 0 267.333 1.648 20 5 CDBDRO [NH3+]C[C@H]1CCCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000217534359 280088824 /nfs/dbraw/zinc/08/88/24/280088824.db2.gz WSTMFIJFVDYNNH-QDZRJHCZSA-N 1 0 289.335 1.805 20 5 CDBDRO O=[N+]([O-])c1cccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000219804919 280091817 /nfs/dbraw/zinc/09/18/17/280091817.db2.gz RFWPXWRGQDVVNH-GXTWGEPZSA-N 1 0 261.325 1.779 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235374799 280126642 /nfs/dbraw/zinc/12/66/42/280126642.db2.gz FPFPUXJAZAMNMH-QJSMKMSWSA-N 1 0 289.335 1.865 20 5 CDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCC[NH2+]C1 ZINC000237724577 280185813 /nfs/dbraw/zinc/18/58/13/280185813.db2.gz RLRUNHYEEWPJOT-FUEXJSSKSA-N 1 0 293.298 1.615 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2C2CC2)n1 ZINC000368403130 280376881 /nfs/dbraw/zinc/37/68/81/280376881.db2.gz AJWCDROCTRHOSY-LLVKDONJSA-N 1 0 250.302 1.666 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC([NH3+])CC2)n1 ZINC000420108820 280398319 /nfs/dbraw/zinc/39/83/19/280398319.db2.gz AGGXHFNAJOAMOT-UHFFFAOYSA-N 1 0 250.302 1.534 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[NH2+]CC1 ZINC000332337788 281018247 /nfs/dbraw/zinc/01/82/47/281018247.db2.gz RYJCBLSTBOIGDX-UHFFFAOYSA-N 1 0 278.312 1.730 20 5 CDBDRO C[N@@H+]1CC[C@H](C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000527474450 281142035 /nfs/dbraw/zinc/14/20/35/281142035.db2.gz VTHDEPWRDRSPNV-QMMMGPOBSA-N 1 0 267.260 1.624 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000154606047 289212545 /nfs/dbraw/zinc/21/25/45/289212545.db2.gz DAHILWRJSRDZCQ-CQSZACIVSA-N 1 0 291.351 1.738 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCn2cnnc2C2CC2)c1 ZINC000156238256 289260807 /nfs/dbraw/zinc/26/08/07/289260807.db2.gz GKLWOOVKSBHVPH-UHFFFAOYSA-N 1 0 287.323 1.854 20 5 CDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCCc1ncc[nH]1 ZINC000255893156 289389519 /nfs/dbraw/zinc/38/95/19/289389519.db2.gz HEZMEQGUILMKHR-PLNGDYQASA-N 1 0 286.291 1.690 20 5 CDBDRO CC[NH2+]CCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000568760738 294095995 /nfs/dbraw/zinc/09/59/95/294095995.db2.gz YHPKMIMAIQOHKD-UHFFFAOYSA-N 1 0 293.367 1.988 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000570216466 294196654 /nfs/dbraw/zinc/19/66/54/294196654.db2.gz PRVYPBRKQRSSHD-VHSXEESVSA-N 1 0 281.312 1.216 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC([NH2+]C3CC3)CC2)c(F)c1 ZINC000571383415 294423209 /nfs/dbraw/zinc/42/32/09/294423209.db2.gz IZUSWCMETFOQLR-UHFFFAOYSA-N 1 0 280.303 1.850 20 5 CDBDRO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000573741699 294879263 /nfs/dbraw/zinc/87/92/63/294879263.db2.gz KYQVJBGWGFDSKX-BXUZGUMPSA-N 1 0 289.335 1.793 20 5 CDBDRO COC(=O)c1cc(OCC[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000575039610 295089642 /nfs/dbraw/zinc/08/96/42/295089642.db2.gz SLKIZVRYKYOICK-SNVBAGLBSA-N 1 0 294.307 1.760 20 5 CDBDRO Cc1cnc(N2C[C@@H](C)[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000090692672 302353719 /nfs/dbraw/zinc/35/37/19/302353719.db2.gz PXWNVBALKCLXOK-ZJUUUORDSA-N 1 0 250.302 1.485 20 5 CDBDRO CC(C)[C@H](O)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000575826612 317021881 /nfs/dbraw/zinc/02/18/81/317021881.db2.gz GTPSJEHWWDZCMF-YNEHKIRRSA-N 1 0 296.371 1.882 20 5 CDBDRO C[NH2+][C@@H](C)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000577231668 317292646 /nfs/dbraw/zinc/29/26/46/317292646.db2.gz OIDZJPOVHMOZKD-VIFPVBQESA-N 1 0 265.313 1.554 20 5 CDBDRO C[NH2+]CCSCCOc1cccc([N+](=O)[O-])c1 ZINC000578234995 317497846 /nfs/dbraw/zinc/49/78/46/317497846.db2.gz FBGHPXZVETYWNT-UHFFFAOYSA-N 1 0 256.327 1.926 20 5 CDBDRO O=[N+]([O-])c1cc2ccccc2nc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000583194386 325125333 /nfs/dbraw/zinc/12/53/33/325125333.db2.gz FPDGFMMKUUUOMH-TXEJJXNPSA-N 1 0 284.319 1.799 20 5 CDBDRO CO[C@@H]1COC[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000584052943 326910575 /nfs/dbraw/zinc/91/05/75/326910575.db2.gz NLFVWDGMZIDPTJ-FAQJLRJSSA-N 1 0 278.308 1.611 20 5 CDBDRO NCc1ncn(-c2cc([N+](=O)[O-])ccc2Cl)n1 ZINC001168753729 1161511138 /nfs/dbraw/zinc/51/11/38/1161511138.db2.gz JFXGLCJJPHIART-UHFFFAOYSA-N 1 0 253.649 1.288 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C[N@@H+]1C1CC1 ZINC000177154617 533938857 /nfs/dbraw/zinc/93/88/57/533938857.db2.gz KWDGFXBPMGUIQY-BDAKNGLRSA-N 1 0 279.296 1.543 20 5 CDBDRO Cc1cnc(CC[NH3+])n1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967499 1161996360 /nfs/dbraw/zinc/99/63/60/1161996360.db2.gz QFFCBAWLHYUNRX-QWRGUYRKSA-N 1 0 252.318 1.311 20 5 CDBDRO Cc1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])n(C)n1 ZINC000418075877 534170080 /nfs/dbraw/zinc/17/00/80/534170080.db2.gz ZVOOINQKRVMMQK-UHFFFAOYSA-N 1 0 289.339 1.602 20 5 CDBDRO C[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000063159312 521974471 /nfs/dbraw/zinc/97/44/71/521974471.db2.gz AHSVADYLMYMKHH-UHFFFAOYSA-N 1 0 291.351 1.975 20 5 CDBDRO COC[C@H](O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000338481152 522800071 /nfs/dbraw/zinc/80/00/71/522800071.db2.gz RXLLPMNPHSWIHW-TXNVCOODSA-N 1 0 266.297 1.205 20 5 CDBDRO C[C@H](CN1CCCC1=O)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000037783004 524325567 /nfs/dbraw/zinc/32/55/67/524325567.db2.gz NCAJNMGEUWGURN-LLVKDONJSA-N 1 0 277.324 1.695 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1C[NH3+] ZINC000163526252 524487402 /nfs/dbraw/zinc/48/74/02/524487402.db2.gz PSULRNUGEOLMKM-RKDXNWHRSA-N 1 0 283.353 1.713 20 5 CDBDRO C[C@@H](C[NH3+])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000054340231 524582549 /nfs/dbraw/zinc/58/25/49/524582549.db2.gz REMQPYZGIAGWAH-IUCAKERBSA-N 1 0 251.286 1.367 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000235666062 524793656 /nfs/dbraw/zinc/79/36/56/524793656.db2.gz YGCSGHJSPRKISJ-JQWIXIFHSA-N 1 0 277.324 1.394 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000069134907 525102440 /nfs/dbraw/zinc/10/24/40/525102440.db2.gz YROZTJZDVBIUJC-AOOOYVTPSA-N 1 0 267.304 1.916 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000235359139 525253094 /nfs/dbraw/zinc/25/30/94/525253094.db2.gz YGCSGHJSPRKISJ-PWSUYJOCSA-N 1 0 277.324 1.394 20 5 CDBDRO C[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000068803089 525421382 /nfs/dbraw/zinc/42/13/82/525421382.db2.gz DMCHJNBQTLJVMV-WFASDCNBSA-N 1 0 292.383 1.491 20 5 CDBDRO C[C@@]1(C(=O)NCc2cccc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000062861029 525803907 /nfs/dbraw/zinc/80/39/07/525803907.db2.gz UNVDDQPOHZEZLQ-CQSZACIVSA-N 1 0 277.324 1.601 20 5 CDBDRO Cc1cc(C(=O)NCC[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000338421195 526267149 /nfs/dbraw/zinc/26/71/49/526267149.db2.gz BVQPNJKXGSZQQE-UHFFFAOYSA-N 1 0 279.340 1.973 20 5 CDBDRO [NH3+]CCC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000070187713 527168752 /nfs/dbraw/zinc/16/87/52/527168752.db2.gz KMISUZONBGYLTM-UHFFFAOYSA-N 1 0 291.351 1.725 20 5 CDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]1 ZINC000053253713 527636245 /nfs/dbraw/zinc/63/62/45/527636245.db2.gz WIGSSPXQRIRTQJ-GUOLPTJISA-N 1 0 275.308 1.476 20 5 CDBDRO CC(C)(NC(=O)[C@@H]1C[C@@H]1[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000424126089 535235898 /nfs/dbraw/zinc/23/58/98/535235898.db2.gz SBWSORISCGEYRY-MNOVXSKESA-N 1 0 263.297 1.293 20 5 CDBDRO CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268470967 535747582 /nfs/dbraw/zinc/74/75/82/535747582.db2.gz JMMHDIHVBDTRJI-UHFFFAOYSA-N 1 0 250.302 1.440 20 5 CDBDRO CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000179097273 536002349 /nfs/dbraw/zinc/00/23/49/536002349.db2.gz BPIDTJIFRKIHTO-NSHDSACASA-N 1 0 295.364 1.507 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000262292741 536359906 /nfs/dbraw/zinc/35/99/06/536359906.db2.gz YSMCRLYOGNWRDG-SECBINFHSA-N 1 0 278.312 1.001 20 5 CDBDRO COc1ccc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000262846649 536770954 /nfs/dbraw/zinc/77/09/54/536770954.db2.gz RUHXSXRLBQAOML-ONGXEEELSA-N 1 0 293.323 1.331 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000731030493 575030619 /nfs/dbraw/zinc/03/06/19/575030619.db2.gz ROEIYVOGDCGVLQ-LLVKDONJSA-N 1 0 289.339 1.996 20 5 CDBDRO Cc1nn(C)c(N2CCC[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000734141859 575156455 /nfs/dbraw/zinc/15/64/55/575156455.db2.gz SHRIDILMNSCXFE-NSHDSACASA-N 1 0 281.360 1.415 20 5 CDBDRO COCCOC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000742377207 576596231 /nfs/dbraw/zinc/59/62/31/576596231.db2.gz OXPJSLXGBSBAKL-LLVKDONJSA-N 1 0 268.313 1.736 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CO)C1CC1 ZINC000771816488 575618800 /nfs/dbraw/zinc/61/88/00/575618800.db2.gz XTPOEQOACXLZCM-CYBMUJFWSA-N 1 0 293.323 1.202 20 5 CDBDRO COc1ccc(CN2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000761066835 576540433 /nfs/dbraw/zinc/54/04/33/576540433.db2.gz CQVDGUZUYPTASL-NSHDSACASA-N 1 0 279.340 1.739 20 5 CDBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)CO ZINC000750082853 576975316 /nfs/dbraw/zinc/97/53/16/576975316.db2.gz SDHLELUDDAQUIY-GFCCVEGCSA-N 1 0 268.313 1.331 20 5 CDBDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000300413572 617310197 /nfs/dbraw/zinc/31/01/97/617310197.db2.gz BERKNSYPHHLBIU-QKCSRTOESA-N 1 0 280.324 1.785 20 5 CDBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000890884592 617345405 /nfs/dbraw/zinc/34/54/05/617345405.db2.gz WUSAATGFUXGNNS-UHFFFAOYSA-N 1 0 282.344 1.583 20 5 CDBDRO COCCCC1(C[NH2+]CCn2cc([N+](=O)[O-])cn2)CCC1 ZINC000893136262 617403881 /nfs/dbraw/zinc/40/38/81/617403881.db2.gz WEPMWWUPPQRCGV-UHFFFAOYSA-N 1 0 296.371 1.978 20 5 CDBDRO CC(C)[C@H](CNc1c([N+](=O)[O-])cnn1C)[NH+]1CCCC1 ZINC000891680728 617535776 /nfs/dbraw/zinc/53/57/76/617535776.db2.gz JZKIWQLVDNPMKU-NSHDSACASA-N 1 0 281.360 1.861 20 5 CDBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000934021248 617860389 /nfs/dbraw/zinc/86/03/89/617860389.db2.gz MFVHGCSPACSIFU-NSHDSACASA-N 1 0 293.323 1.298 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@H](C1CC1)[NH+](C)C ZINC000892345424 617960424 /nfs/dbraw/zinc/96/04/24/617960424.db2.gz OSGONLSJSUTLRV-LLVKDONJSA-N 1 0 280.328 1.751 20 5 CDBDRO Cc1cnc(N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000893941783 618204691 /nfs/dbraw/zinc/20/46/91/618204691.db2.gz WJLWHXJKOVEHGG-JQWIXIFHSA-N 1 0 262.313 1.439 20 5 CDBDRO CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000923425346 618331663 /nfs/dbraw/zinc/33/16/63/618331663.db2.gz KTXYVPTXFIKZKA-KGLIPLIRSA-N 1 0 279.340 1.312 20 5 CDBDRO O=C1NCCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894867703 619110248 /nfs/dbraw/zinc/11/02/48/619110248.db2.gz WOVYZKAETRHJRZ-SNVBAGLBSA-N 1 0 297.742 1.864 20 5 CDBDRO CON(C)C(=O)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000895042652 619219834 /nfs/dbraw/zinc/21/98/34/619219834.db2.gz JDSWKQSZQKMUND-NSHDSACASA-N 1 0 295.339 1.525 20 5 CDBDRO CON(C)CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000883172814 619860980 /nfs/dbraw/zinc/86/09/80/619860980.db2.gz ULILWKKXVCJNRE-UHFFFAOYSA-N 1 0 253.302 1.486 20 5 CDBDRO CCN1CCC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000896729205 620213913 /nfs/dbraw/zinc/21/39/13/620213913.db2.gz MUZFFUVMSNPNCI-CQSZACIVSA-N 1 0 291.351 1.738 20 5 CDBDRO CO[C@H](C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000224152924 620857702 /nfs/dbraw/zinc/85/77/02/620857702.db2.gz MWGSABNMNGRLMR-BXKDBHETSA-N 1 0 254.286 1.253 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000905099215 626619590 /nfs/dbraw/zinc/61/95/90/626619590.db2.gz ZBRYIXOYSCBUQA-JTQLQIEISA-N 1 0 271.267 1.410 20 5 CDBDRO CC(C)(C)OC(=O)NC1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905131502 626646125 /nfs/dbraw/zinc/64/61/25/626646125.db2.gz AKJAZZTVQNDEJQ-UHFFFAOYSA-N 1 0 287.360 1.689 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCSCc1ccnc(Cl)c1 ZINC000905197879 626687223 /nfs/dbraw/zinc/68/72/23/626687223.db2.gz YOONRAUZQPSPNB-UHFFFAOYSA-N 1 0 275.761 1.835 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000905349683 626762838 /nfs/dbraw/zinc/76/28/38/626762838.db2.gz LXMIQYKVFBUAAD-JTQLQIEISA-N 1 0 278.230 1.605 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C/C=C\Cl)c1 ZINC000905708726 626935314 /nfs/dbraw/zinc/93/53/14/626935314.db2.gz SJKYZTCUZJJJDN-SROOVFNMSA-N 1 0 256.689 1.970 20 5 CDBDRO C[C@H]([NH2+][C@H]1COC[C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000905868298 627011092 /nfs/dbraw/zinc/01/10/92/627011092.db2.gz QYQDUSNKHMYLOG-SCVCMEIPSA-N 1 0 293.323 1.546 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911744407 629463212 /nfs/dbraw/zinc/46/32/12/629463212.db2.gz IYTLGAYYSHXTAB-XDTLVQLUSA-N 1 0 277.324 1.552 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911828796 629558133 /nfs/dbraw/zinc/55/81/33/629558133.db2.gz CMDFHVWSUOGTSW-MGPQQGTHSA-N 1 0 291.351 1.798 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C12CCC(CC1)[NH2+]2 ZINC000912262657 629875618 /nfs/dbraw/zinc/87/56/18/629875618.db2.gz WWIGWFUITAFYKF-UHFFFAOYSA-N 1 0 275.308 1.496 20 5 CDBDRO O=[N+]([O-])CC[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000929675054 630706000 /nfs/dbraw/zinc/70/60/00/630706000.db2.gz AUSFNKWABFCPCF-LBPRGKRZSA-N 1 0 252.289 1.967 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000153826681 631900145 /nfs/dbraw/zinc/90/01/45/631900145.db2.gz IPBCTCADBJAUJS-NXEZZACHSA-N 1 0 292.339 1.308 20 5 CDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000918694354 632424055 /nfs/dbraw/zinc/42/40/55/632424055.db2.gz ZNJYDPKZXRBYMC-JTQLQIEISA-N 1 0 268.317 1.239 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]CC(C)=O)c([N+](=O)[O-])c1 ZINC001170308111 1162339743 /nfs/dbraw/zinc/33/97/43/1162339743.db2.gz KIOQBABTAPTTHD-VIFPVBQESA-N 1 0 266.297 1.713 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N(CC[NH3+])c2cccnc2)n1 ZINC001158000900 1162670828 /nfs/dbraw/zinc/67/08/28/1162670828.db2.gz WJPWRGUCSIRCPJ-UHFFFAOYSA-N 1 0 274.284 1.185 20 5 CDBDRO COc1cccc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001170567604 1162938316 /nfs/dbraw/zinc/93/83/16/1162938316.db2.gz KUEMSUSLUMROQX-CABZTGNLSA-N 1 0 281.312 1.392 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@H]2C[NH2+]CCO2)n1 ZINC001170569475 1162948526 /nfs/dbraw/zinc/94/85/26/1162948526.db2.gz SIKMFRSVZIAACH-MWLCHTKSSA-N 1 0 266.301 1.087 20 5 CDBDRO C[C@H](Nc1cnc(Cl)cc1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001170568206 1162945374 /nfs/dbraw/zinc/94/53/74/1162945374.db2.gz HCUNWLJGKVUUNZ-XVKPBYJWSA-N 1 0 286.719 1.432 20 5 CDBDRO [NH3+]Cc1nnnn1-c1cc2ccccc2c([N+](=O)[O-])c1 ZINC001168924040 1161993359 /nfs/dbraw/zinc/99/33/59/1161993359.db2.gz UABNKLPHBMFERE-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO Cc1ncn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1CC[NH3+] ZINC001168966595 1161996187 /nfs/dbraw/zinc/99/61/87/1161996187.db2.gz JPVGKXTUQQEERF-WDEREUQCSA-N 1 0 252.318 1.311 20 5 CDBDRO Cc1cnc(C[NH3+])n1-c1c(Cl)cncc1[N+](=O)[O-] ZINC001169029942 1161998377 /nfs/dbraw/zinc/99/83/77/1161998377.db2.gz ZIOUQLUKFQYEIR-UHFFFAOYSA-N 1 0 267.676 1.596 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@H]2C[NH2+]CC[C@H]2F)c(F)c1 ZINC001157448179 1162089570 /nfs/dbraw/zinc/08/95/70/1162089570.db2.gz UZKWHNGKLIBFHZ-APPZFPTMSA-N 1 0 258.228 1.241 20 5 CDBDRO CCN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000058234055 1167220415 /nfs/dbraw/zinc/22/04/15/1167220415.db2.gz HYHKTMOXPLOZRC-GFCCVEGCSA-N 1 0 277.324 1.348 20 5 CDBDRO Cc1cnc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001155617086 1167259436 /nfs/dbraw/zinc/25/94/36/1167259436.db2.gz GSJDADIIKWBJMB-SMDDNHRTSA-N 1 0 292.339 1.621 20 5 CDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)CN ZINC001575923734 1171297853 /nfs/dbraw/zinc/29/78/53/1171297853.db2.gz OEMANRHIPRAFHW-SNVBAGLBSA-N 1 0 294.355 1.639 20 5 CDBDRO CO[C@H]1C[C@H](NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC001579133728 1172103190 /nfs/dbraw/zinc/10/31/90/1172103190.db2.gz WEKZBEVSIWEGPZ-JKOKRWQUSA-N 1 0 293.323 1.062 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)n1 ZINC001579642716 1172232188 /nfs/dbraw/zinc/23/21/88/1172232188.db2.gz SFYQJBCAJHWILJ-LLVKDONJSA-N 1 0 278.312 1.169 20 5 CDBDRO Cc1ccc(NC(=O)CC[NH2+]C(C)C)c(N)c1[N+](=O)[O-] ZINC001579715407 1172246013 /nfs/dbraw/zinc/24/60/13/1172246013.db2.gz PKVDCQSEWVPFQY-UHFFFAOYSA-N 1 0 280.328 1.812 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001579734428 1172250185 /nfs/dbraw/zinc/25/01/85/1172250185.db2.gz TUDGSBDEPWLDCJ-PTOFAABTSA-N 1 0 261.281 1.450 20 5 CDBDRO Cc1nn(C)c(NCC[C@H]2CCC[NH2+]CC2)c1[N+](=O)[O-] ZINC001579891738 1172292634 /nfs/dbraw/zinc/29/26/34/1172292634.db2.gz URCFADSMDJFXDJ-NSHDSACASA-N 1 0 281.360 1.828 20 5 CDBDRO CCC[C@@](C)(O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000230702611 1178156573 /nfs/dbraw/zinc/15/65/73/1178156573.db2.gz WWHHRZRGNCEEIZ-ZIAGYGMSSA-N 1 0 282.340 1.769 20 5 CDBDRO CN(CC[NH2+]CCc1cccs1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001753188515 1185111280 /nfs/dbraw/zinc/11/12/80/1185111280.db2.gz WUYUEQXRADOFMD-VXGBXAGGSA-N 1 0 297.380 1.004 20 5 CDBDRO COc1cc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC001164639332 719187912 /nfs/dbraw/zinc/18/79/12/719187912.db2.gz RSYDDPDERVGKBX-ZJUUUORDSA-N 1 0 280.328 1.527 20 5 CDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001164634360 719221646 /nfs/dbraw/zinc/22/16/46/719221646.db2.gz GOUAKPHYEVVEQX-UWVGGRQHSA-N 1 0 289.339 2.000 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2cc([N+](=O)[O-])ccn2)C1 ZINC001165036333 721885648 /nfs/dbraw/zinc/88/56/48/721885648.db2.gz SLVAOGCJAIRZMX-NSHDSACASA-N 1 0 250.302 1.520 20 5 CDBDRO CC[C@H](C)[C@H](O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843072446 743052773 /nfs/dbraw/zinc/05/27/73/743052773.db2.gz CGXWXFDUXUHYAG-ZLKJLUDKSA-N 1 0 282.340 1.625 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000882479220 742864148 /nfs/dbraw/zinc/86/41/48/742864148.db2.gz QGQUMRBBXZIYAC-LBPRGKRZSA-N 1 0 277.324 1.727 20 5 CDBDRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])C1(C)C ZINC000930879016 742865890 /nfs/dbraw/zinc/86/58/90/742865890.db2.gz GWTOHRAPFLPXSR-NXEZZACHSA-N 1 0 287.360 1.545 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(C3CC3)CCC2)c1 ZINC000887146077 742982125 /nfs/dbraw/zinc/98/21/25/742982125.db2.gz DZEQYQWRYHUDKA-UHFFFAOYSA-N 1 0 250.302 1.714 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](O)C2CCC2)c1 ZINC000843118515 743110612 /nfs/dbraw/zinc/11/06/12/743110612.db2.gz KAWCRFMQCUSBTM-KBPBESRZSA-N 1 0 280.324 1.379 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CCn3cccc3C2)c1 ZINC000932528540 743304251 /nfs/dbraw/zinc/30/42/51/743304251.db2.gz HFWPFFFPBIYUCV-HNNXBMFYSA-N 1 0 287.319 1.946 20 5 CDBDRO COc1ccc(CN2C[C@@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000131600659 743363709 /nfs/dbraw/zinc/36/37/09/743363709.db2.gz SVACIUJHKBHBGW-ZYHUDNBSSA-N 1 0 279.340 1.773 20 5 CDBDRO C[C@@]1(O)CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776598034 743636596 /nfs/dbraw/zinc/63/65/96/743636596.db2.gz OMYVVPIDNGHMJR-UONOGXRCSA-N 1 0 280.324 1.475 20 5 CDBDRO CO[C@H](C[NH3+])Cc1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000823270873 744996415 /nfs/dbraw/zinc/99/64/15/744996415.db2.gz WKLZGKYMQSGKHQ-VIFPVBQESA-N 1 0 292.295 1.469 20 5 CDBDRO C[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815614924 745063960 /nfs/dbraw/zinc/06/39/60/745063960.db2.gz DKZAIRUBNLTPPU-UTLUCORTSA-N 1 0 267.329 1.987 20 5 CDBDRO C[C@@H]([NH2+]CCN1CCCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000783580322 745158912 /nfs/dbraw/zinc/15/89/12/745158912.db2.gz YKTOQKFOFIPIFR-CYBMUJFWSA-N 1 0 293.367 1.968 20 5 CDBDRO Cc1noc(COC(=O)[C@@H](C(C)C)[NH+](C)C)c1[N+](=O)[O-] ZINC000853914123 745214703 /nfs/dbraw/zinc/21/47/03/745214703.db2.gz KHVOKMAJJTUHKS-SNVBAGLBSA-N 1 0 285.300 1.521 20 5 CDBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831217851 745333534 /nfs/dbraw/zinc/33/35/34/745333534.db2.gz MMCYLIYGSBYZNW-KCJUWKMLSA-N 1 0 297.742 1.862 20 5 CDBDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834905478 745342008 /nfs/dbraw/zinc/34/20/08/745342008.db2.gz WPGXTXCIZIKBHA-GAJTVXKRSA-N 1 0 295.339 1.632 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923353473 745395033 /nfs/dbraw/zinc/39/50/33/745395033.db2.gz XZMBDGLREJGWBO-UBHSHLNASA-N 1 0 297.330 1.260 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000886841217 745459861 /nfs/dbraw/zinc/45/98/61/745459861.db2.gz FPCQCJGGNGHTGZ-AAEUAGOBSA-N 1 0 276.340 1.564 20 5 CDBDRO CN(Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000106857702 745460727 /nfs/dbraw/zinc/46/07/27/745460727.db2.gz ODMGWDKKHWEBAT-GFCCVEGCSA-N 1 0 276.296 1.623 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000882479219 745576115 /nfs/dbraw/zinc/57/61/15/745576115.db2.gz QGQUMRBBXZIYAC-GFCCVEGCSA-N 1 0 277.324 1.727 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[NH2+][C@H]1C ZINC000925488948 745608976 /nfs/dbraw/zinc/60/89/76/745608976.db2.gz HIYLRRVDNMWRNX-GWCFXTLKSA-N 1 0 279.340 1.834 20 5 CDBDRO O=[N+]([O-])CC[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000929978053 745643724 /nfs/dbraw/zinc/64/37/24/745643724.db2.gz NNHFPWJCYIZJRF-CQSZACIVSA-N 1 0 264.325 1.635 20 5 CDBDRO C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000133945049 745724503 /nfs/dbraw/zinc/72/45/03/745724503.db2.gz IEJHBJQYUIBDQQ-AAEUAGOBSA-N 1 0 279.340 1.451 20 5 CDBDRO COCC1([NH2+]Cc2cccnc2[N+](=O)[O-])CCOCC1 ZINC000886217513 745838268 /nfs/dbraw/zinc/83/82/68/745838268.db2.gz BAJBLZJJWUNFFC-UHFFFAOYSA-N 1 0 281.312 1.275 20 5 CDBDRO C[C@@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000823615188 745839588 /nfs/dbraw/zinc/83/95/88/745839588.db2.gz DRJVFMFDZPISST-ZLKJLUDKSA-N 1 0 291.351 1.765 20 5 CDBDRO O=[N+]([O-])c1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000107571195 745839950 /nfs/dbraw/zinc/83/99/50/745839950.db2.gz BTSHTGSIINQDGE-DTORHVGOSA-N 1 0 278.268 1.159 20 5 CDBDRO CC(C)(CCc1noc([C@@H]2C[C@@]23CC[NH2+]C3)n1)[N+](=O)[O-] ZINC000823234886 745843185 /nfs/dbraw/zinc/84/31/85/745843185.db2.gz LWACEKFPQAIUBJ-TVQRCGJNSA-N 1 0 280.328 1.525 20 5 CDBDRO C[C@@H]1CCN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000870877784 745867116 /nfs/dbraw/zinc/86/71/16/745867116.db2.gz NSURRYNIGLLPKC-YGRLFVJLSA-N 1 0 277.324 1.637 20 5 CDBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[C@@H]1O ZINC000776277186 745939744 /nfs/dbraw/zinc/93/97/44/745939744.db2.gz LQSRGTCPIUFTAV-SNPRPXQTSA-N 1 0 294.351 1.721 20 5 CDBDRO C[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840825969 746007075 /nfs/dbraw/zinc/00/70/75/746007075.db2.gz NXDGNJURSHDSLL-MWLCHTKSSA-N 1 0 292.339 1.354 20 5 CDBDRO Cc1ccc(C[NH2+]C(C)(C)CC(N)=O)cc1[N+](=O)[O-] ZINC000227055571 746017430 /nfs/dbraw/zinc/01/74/30/746017430.db2.gz GCBDDUFKCGZYOG-UHFFFAOYSA-N 1 0 265.313 1.647 20 5 CDBDRO Cn1nccc1CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819232317 746054731 /nfs/dbraw/zinc/05/47/31/746054731.db2.gz FYMYLIHNSCTHCI-AWEZNQCLSA-N 1 0 290.323 1.194 20 5 CDBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000796201210 746097514 /nfs/dbraw/zinc/09/75/14/746097514.db2.gz GCZPHOHFAJUSPM-UONOGXRCSA-N 1 0 280.324 1.739 20 5 CDBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839685823 746185245 /nfs/dbraw/zinc/18/52/45/746185245.db2.gz YWPLCKIMLVUFTA-QJPTWQEYSA-N 1 0 269.345 1.032 20 5 CDBDRO CON(C)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000850479595 746263075 /nfs/dbraw/zinc/26/30/75/746263075.db2.gz XSFPLCYYXBBKSZ-NWDGAFQWSA-N 1 0 297.359 1.358 20 5 CDBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000715540143 746265350 /nfs/dbraw/zinc/26/53/50/746265350.db2.gz PZSJYIBFKCUIRR-ZJUUUORDSA-N 1 0 280.328 1.980 20 5 CDBDRO Cc1ccc(Cn2cc(CCCC[NH3+])nn2)cc1[N+](=O)[O-] ZINC000881212757 746360381 /nfs/dbraw/zinc/36/03/81/746360381.db2.gz UHJHXPBZCUHVFE-UHFFFAOYSA-N 1 0 289.339 1.824 20 5 CDBDRO C[C@H](CC[NH+](C)C)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000881857842 746361790 /nfs/dbraw/zinc/36/17/90/746361790.db2.gz IHUJBRNGNOFNPG-MRVPVSSYSA-N 1 0 256.281 1.881 20 5 CDBDRO CCS(=O)(=O)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848525381 746386980 /nfs/dbraw/zinc/38/69/80/746386980.db2.gz PJJRAEVLPYLVIA-GFCCVEGCSA-N 1 0 298.364 1.606 20 5 CDBDRO CC(C)[C@H](C(=O)OCc1cccnc1[N+](=O)[O-])[NH+](C)C ZINC000884501367 746410192 /nfs/dbraw/zinc/41/01/92/746410192.db2.gz GFSJAYWZSCYBQU-LLVKDONJSA-N 1 0 281.312 1.619 20 5 CDBDRO O=[N+]([O-])c1cnn(CN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000131305376 746710236 /nfs/dbraw/zinc/71/02/36/746710236.db2.gz OFKIRIBBBXAJOQ-GFCCVEGCSA-N 1 0 279.344 1.167 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000931279191 746733902 /nfs/dbraw/zinc/73/39/02/746733902.db2.gz BQRSAYCMQAANFP-FICVDOATSA-N 1 0 291.351 1.465 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000932006280 746746684 /nfs/dbraw/zinc/74/66/84/746746684.db2.gz JJBACSWYZVIQPY-JTQLQIEISA-N 1 0 296.298 1.929 20 5 CDBDRO O=C(C[NH+]1CCCC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000874104866 746761068 /nfs/dbraw/zinc/76/10/68/746761068.db2.gz FSYBBGIWSHFASN-UHFFFAOYSA-N 1 0 263.297 1.307 20 5 CDBDRO CN1CCC[NH+]=C1NCCNc1ccc([N+](=O)[O-])cc1 ZINC000848982809 746829707 /nfs/dbraw/zinc/82/97/07/746829707.db2.gz UJPCWWFPLUOGJJ-UHFFFAOYSA-N 1 0 277.328 1.288 20 5 CDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3CCCC[NH2+]3)n2)n1C ZINC000823093664 746829860 /nfs/dbraw/zinc/82/98/60/746829860.db2.gz FYYWAORSGIXFCC-MRVPVSSYSA-N 1 0 292.299 1.501 20 5 CDBDRO COC[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783629366 746862333 /nfs/dbraw/zinc/86/23/33/746862333.db2.gz ORQGYMAIUYUGGQ-LBPRGKRZSA-N 1 0 288.731 1.735 20 5 CDBDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000876577784 746891831 /nfs/dbraw/zinc/89/18/31/746891831.db2.gz OOOCVZZTAXEYGX-GNFOSSQUSA-N 1 0 289.335 1.623 20 5 CDBDRO CC(C)[C@H]1C[N@H+](C)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886218244 746896259 /nfs/dbraw/zinc/89/62/59/746896259.db2.gz QTIFUPONBJKXHP-CYBMUJFWSA-N 1 0 278.356 1.762 20 5 CDBDRO C[C@H](O)CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000114770963 746993006 /nfs/dbraw/zinc/99/30/06/746993006.db2.gz OIFCJJGBBWICLX-MALLOTDXSA-N 1 0 250.298 1.969 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702056131 747154310 /nfs/dbraw/zinc/15/43/10/747154310.db2.gz PYZNZPKWMPHDCQ-QMMMGPOBSA-N 1 0 271.704 1.715 20 5 CDBDRO C[NH2+]CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000193135918 747224143 /nfs/dbraw/zinc/22/41/43/747224143.db2.gz CSYSIAPMHXIALT-UHFFFAOYSA-N 1 0 263.297 1.305 20 5 CDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000843771236 747372566 /nfs/dbraw/zinc/37/25/66/747372566.db2.gz FTNYPRZSASDWTB-JTQLQIEISA-N 1 0 295.314 1.724 20 5 CDBDRO Cc1nn(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000808192674 747471218 /nfs/dbraw/zinc/47/12/18/747471218.db2.gz RDFJUYZAFGHLKE-CHWSQXEVSA-N 1 0 293.371 1.616 20 5 CDBDRO C[C@H](O)CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000227710837 747625637 /nfs/dbraw/zinc/62/56/37/747625637.db2.gz KLYRQNLSYSFKDC-GXFFZTMASA-N 1 0 268.313 1.379 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923330998 747881417 /nfs/dbraw/zinc/88/14/17/747881417.db2.gz GJRYQRNBAMCWOL-LSDHHAIUSA-N 1 0 291.351 1.314 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCCN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518776 747890390 /nfs/dbraw/zinc/89/03/90/747890390.db2.gz NQDKTSJZCYQHRF-QWHCGFSZSA-N 1 0 291.351 1.515 20 5 CDBDRO CN(CCc1ccccc1[N+](=O)[O-])C[C@H]1CCC[NH2+]1 ZINC000234294636 747891729 /nfs/dbraw/zinc/89/17/29/747891729.db2.gz JBTBGTSZBLLZAS-CYBMUJFWSA-N 1 0 263.341 1.821 20 5 CDBDRO [NH3+]CCN(Cc1ccon1)c1ccc([N+](=O)[O-])cc1 ZINC000877523131 747898223 /nfs/dbraw/zinc/89/82/23/747898223.db2.gz WZFUJLPLKLPFAG-UHFFFAOYSA-N 1 0 262.269 1.548 20 5 CDBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000128571378 747905174 /nfs/dbraw/zinc/90/51/74/747905174.db2.gz CVKNLZGNRGIONQ-RYUDHWBXSA-N 1 0 268.288 1.983 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cccc3c2OCC3)c1 ZINC000921861541 748031215 /nfs/dbraw/zinc/03/12/15/748031215.db2.gz JNLONNKAKLMUEQ-UHFFFAOYSA-N 1 0 288.307 1.516 20 5 CDBDRO COCC[N@H+](CCC(=O)OC)Cc1cccc([N+](=O)[O-])c1 ZINC000096537380 748035943 /nfs/dbraw/zinc/03/59/43/748035943.db2.gz CIHVIXRCWSASGD-UHFFFAOYSA-N 1 0 296.323 1.606 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH3+])CC1 ZINC000237189749 748050181 /nfs/dbraw/zinc/05/01/81/748050181.db2.gz JEEUTFRYWGTDSV-UHFFFAOYSA-N 1 0 293.323 1.414 20 5 CDBDRO CC[C@@H](C)NC(=[NH2+])NCCNc1ccc([N+](=O)[O-])cc1 ZINC000848982739 748080205 /nfs/dbraw/zinc/08/02/05/748080205.db2.gz IVMSKWUWZPKAMP-SNVBAGLBSA-N 1 0 279.344 1.919 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000792877784 748128252 /nfs/dbraw/zinc/12/82/52/748128252.db2.gz PGLQAPKPANWLIB-GFCCVEGCSA-N 1 0 295.295 1.754 20 5 CDBDRO COC[C@]1(C)CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886223144 748225956 /nfs/dbraw/zinc/22/59/56/748225956.db2.gz HRXGTAKDNLFRQY-CYBMUJFWSA-N 1 0 265.313 1.848 20 5 CDBDRO O=[N+]([O-])c1cc(CO)c(NCC[N@H+]2CC=CCC2)cc1F ZINC000865745360 748230954 /nfs/dbraw/zinc/23/09/54/748230954.db2.gz FDICKCCWHNCKDD-UHFFFAOYSA-N 1 0 295.314 1.900 20 5 CDBDRO C[C@@H](CO)CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000228353034 748307931 /nfs/dbraw/zinc/30/79/31/748307931.db2.gz QCHBJSQUXRYEGL-RISCZKNCSA-N 1 0 282.340 1.626 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000236927460 748378601 /nfs/dbraw/zinc/37/86/01/748378601.db2.gz ADKALKIJXDOHAM-SNVBAGLBSA-N 1 0 295.339 1.851 20 5 CDBDRO CN(CC[NH3+])C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841010123 748848026 /nfs/dbraw/zinc/84/80/26/748848026.db2.gz ALYCZWNUITVJLU-UHFFFAOYSA-N 1 0 272.692 1.671 20 5 CDBDRO Cc1cc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)ncn1 ZINC000819188927 748936883 /nfs/dbraw/zinc/93/68/83/748936883.db2.gz OQYGUAFFVWTDCI-AWEZNQCLSA-N 1 0 288.307 1.516 20 5 CDBDRO Cc1cccc(N2CCN([C@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000261598802 749040843 /nfs/dbraw/zinc/04/08/43/749040843.db2.gz AXZKMTPHOXTFQT-ZDUSSCGKSA-N 1 0 290.367 1.387 20 5 CDBDRO Nc1ccc(C(=O)N2CCC(CC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000846699671 749075610 /nfs/dbraw/zinc/07/56/10/749075610.db2.gz PIVDUBUJMUSFJT-UHFFFAOYSA-N 1 0 292.339 1.378 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc(CC[C@@H]3CCC[NH2+]3)n2)o1 ZINC000843238777 749083071 /nfs/dbraw/zinc/08/30/71/749083071.db2.gz ZEOZOMABGBYGLU-QMMMGPOBSA-N 1 0 278.268 1.922 20 5 CDBDRO CC(C)[C@@H](C(=O)OCc1cccnc1[N+](=O)[O-])[NH+](C)C ZINC000884501368 749334522 /nfs/dbraw/zinc/33/45/22/749334522.db2.gz GFSJAYWZSCYBQU-NSHDSACASA-N 1 0 281.312 1.619 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700609384 749359420 /nfs/dbraw/zinc/35/94/20/749359420.db2.gz YRFYVCHFQHCIAE-MRVPVSSYSA-N 1 0 271.704 1.715 20 5 CDBDRO CCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000110939394 1166537377 /nfs/dbraw/zinc/53/73/77/1166537377.db2.gz DRKYGOADRHRPLV-ZDUSSCGKSA-N 1 0 277.324 1.809 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cc(NC[C@]23C[NH2+]C[C@H]2COC3)n1 ZINC001155517297 1167208500 /nfs/dbraw/zinc/20/85/00/1167208500.db2.gz ULTKOABIGGTFGO-UFBFGSQYSA-N 1 0 298.730 1.291 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC(=O)NC1 ZINC001173216406 912299387 /nfs/dbraw/zinc/29/93/87/912299387.db2.gz JBJROSJEDOGUJN-WCQYABFASA-N 1 0 291.351 1.642 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC001173217031 912300934 /nfs/dbraw/zinc/30/09/34/912300934.db2.gz KNDFBFLVMTWKDU-DGCLKSJQSA-N 1 0 291.351 1.594 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001173221020 912305281 /nfs/dbraw/zinc/30/52/81/912305281.db2.gz FJGRNXVWHYRZER-KYOSRNDESA-N 1 0 294.351 1.201 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCC1 ZINC001173221782 912306742 /nfs/dbraw/zinc/30/67/42/912306742.db2.gz PSUGQSIELGKIJQ-LBPRGKRZSA-N 1 0 263.341 1.821 20 5 CDBDRO C[C@H]1COC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000699772564 914243478 /nfs/dbraw/zinc/24/34/78/914243478.db2.gz DRMFEVGQMOQJLW-CMPLNLGQSA-N 1 0 250.298 1.762 20 5 CDBDRO COc1ccc(CO[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001223651165 901826808 /nfs/dbraw/zinc/82/68/08/901826808.db2.gz SKLIGGZGIVVHMR-NSHDSACASA-N 1 0 266.297 1.824 20 5 CDBDRO C[N@@H+]1CCC[C@@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225666996 903643315 /nfs/dbraw/zinc/64/33/15/903643315.db2.gz NBHPLQJKZKLMPH-MRVPVSSYSA-N 1 0 253.258 1.168 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(O[C@@H]2C[NH+]3CCC2CC3)n1 ZINC001227061836 906002179 /nfs/dbraw/zinc/00/21/79/906002179.db2.gz BEXDSMKFAVDDPA-GFCCVEGCSA-N 1 0 263.297 1.771 20 5 CDBDRO [NH3+]Cc1cnn(-c2ncc3cccc([N+](=O)[O-])c3n2)c1 ZINC001168258278 908004414 /nfs/dbraw/zinc/00/44/14/908004414.db2.gz LUQCYXSSWDRTMG-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000322989973 909023233 /nfs/dbraw/zinc/02/32/33/909023233.db2.gz COEGIMSYRUIBKB-QMMMGPOBSA-N 1 0 285.731 1.862 20 5 CDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000715128601 909808262 /nfs/dbraw/zinc/80/82/62/909808262.db2.gz BKUNREORBGJMJR-AOOOYVTPSA-N 1 0 295.364 1.540 20 5 CDBDRO C[N+](C)(C)CCCOC[C@@H]1COc2ccccc2O1 ZINC001224618401 909973006 /nfs/dbraw/zinc/97/30/06/909973006.db2.gz GBMDKUYBXHXOJH-CYBMUJFWSA-N 1 0 266.361 1.939 20 5 CDBDRO CNC(=O)[C@H](C)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912014 912104068 /nfs/dbraw/zinc/10/40/68/912104068.db2.gz LIZDEJRGVWWYCS-GWCFXTLKSA-N 1 0 291.351 1.566 20 5 CDBDRO CC1(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001127845265 918747060 /nfs/dbraw/zinc/74/70/60/918747060.db2.gz BEOKVNDPISDZAS-UHFFFAOYSA-N 1 0 277.324 1.601 20 5 CDBDRO CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC(O)C1 ZINC000775062659 920250179 /nfs/dbraw/zinc/25/01/79/920250179.db2.gz GCWYFZXVAFMHFO-UHFFFAOYSA-N 1 0 281.268 1.458 20 5 CDBDRO COc1ccnc(N[C@@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001162390087 922460475 /nfs/dbraw/zinc/46/04/75/922460475.db2.gz BWRFVSWAFMPJBB-RKDXNWHRSA-N 1 0 266.301 1.680 20 5 CDBDRO COc1nc(C)c(N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001162402523 922516380 /nfs/dbraw/zinc/51/63/80/922516380.db2.gz SVBVJDUEZFISGZ-VHSXEESVSA-N 1 0 280.328 1.989 20 5 CDBDRO C[C@@H]1CC[C@H](C[NH3+])N(c2ncc([N+](=O)[O-])cc2F)C1 ZINC001164069420 924553643 /nfs/dbraw/zinc/55/36/43/924553643.db2.gz KGPIATSUCBLXQC-RKDXNWHRSA-N 1 0 268.292 1.693 20 5 CDBDRO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000828304415 926097144 /nfs/dbraw/zinc/09/71/44/926097144.db2.gz WUVOMSOBSPEEKH-LLVKDONJSA-N 1 0 263.297 1.209 20 5 CDBDRO COc1cc(NC[C@@H]2C[C@H](F)C[NH2+]2)ncc1[N+](=O)[O-] ZINC001155033681 926429511 /nfs/dbraw/zinc/42/95/11/926429511.db2.gz LZLZIVSVIMWVCB-YUMQZZPRSA-N 1 0 270.264 1.110 20 5 CDBDRO O=[N+]([O-])c1ccnc(NCC[C@H]2CCOC23C[NH2+]C3)c1 ZINC001155471715 926855095 /nfs/dbraw/zinc/85/50/95/926855095.db2.gz RYBWBKXJYBVPJQ-JTQLQIEISA-N 1 0 278.312 1.170 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(-n2cc3c(n2)CC[C@@H]([NH3+])C3)n1 ZINC001168804551 927459490 /nfs/dbraw/zinc/45/94/90/927459490.db2.gz QXVAJBNPRZXKPG-SECBINFHSA-N 1 0 289.295 1.000 20 5 CDBDRO CC(=O)N1CCC[C@H](C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168978110 927564893 /nfs/dbraw/zinc/56/48/93/927564893.db2.gz OKJBWVILSCMJGM-MJBXVCDLSA-N 1 0 283.372 1.280 20 5 CDBDRO COc1ccc([C@H](CO)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168978450 927565111 /nfs/dbraw/zinc/56/51/11/927565111.db2.gz SIQFFRGFPIBMGY-LNSITVRQSA-N 1 0 294.351 1.764 20 5 CDBDRO Cc1c(F)cc([N+](=O)[O-])cc1-n1cc(CC[NH3+])cn1 ZINC001168955317 927578127 /nfs/dbraw/zinc/57/81/27/927578127.db2.gz XIMYXWUGPKAJQH-UHFFFAOYSA-N 1 0 264.260 1.729 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H](O)c1cccc(O)c1 ZINC001168986226 927580565 /nfs/dbraw/zinc/58/05/65/927580565.db2.gz XEOSEWNTEQCYBE-MEDZGJRSSA-N 1 0 294.351 1.849 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2nccnc2Cl)C1 ZINC001168963643 927586603 /nfs/dbraw/zinc/58/66/03/927586603.db2.gz PIIGNAOJLRWUIX-DTWKUNHWSA-N 1 0 270.720 1.665 20 5 CDBDRO O=C(CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)N1CCCC1 ZINC001168965825 927588884 /nfs/dbraw/zinc/58/88/84/927588884.db2.gz COMQPNJGMSRZJI-RYUDHWBXSA-N 1 0 269.345 1.034 20 5 CDBDRO O=C(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)NC1CCCC1 ZINC001168965648 927590030 /nfs/dbraw/zinc/59/00/30/927590030.db2.gz BOGGUUZLGCQWKL-ZYHUDNBSSA-N 1 0 269.345 1.080 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)n1C ZINC001168970430 927594096 /nfs/dbraw/zinc/59/40/96/927594096.db2.gz HFBMDHLDZHYLNO-VXGBXAGGSA-N 1 0 251.330 1.869 20 5 CDBDRO COc1cccc([C@H](CO)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168972866 927596812 /nfs/dbraw/zinc/59/68/12/927596812.db2.gz BUOXWAWNFHXUEG-KYOSRNDESA-N 1 0 294.351 1.764 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc(F)n2)C1 ZINC001168973502 927596910 /nfs/dbraw/zinc/59/69/10/927596910.db2.gz OUXMIHZHACJPRB-VHSXEESVSA-N 1 0 253.277 1.756 20 5 CDBDRO COc1ncnc(OC)c1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168975277 927598997 /nfs/dbraw/zinc/59/89/97/927598997.db2.gz VVEHUGVSXUNKGI-VHSXEESVSA-N 1 0 296.327 1.029 20 5 CDBDRO COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001169001251 927606647 /nfs/dbraw/zinc/60/66/47/927606647.db2.gz DYRXAXJGJCMTBW-ZYHUDNBSSA-N 1 0 293.323 1.403 20 5 CDBDRO CCCC[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(N)=O ZINC001169004927 927607614 /nfs/dbraw/zinc/60/76/14/927607614.db2.gz SFESRXQRVLGJHI-MXWKQRLJSA-N 1 0 257.334 1.066 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC(F)(F)[C@H](CO)C2)C1 ZINC001169005871 927607877 /nfs/dbraw/zinc/60/78/77/927607877.db2.gz DALRJLIGSBKSHK-VWYCJHECSA-N 1 0 278.299 1.381 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@](F)(CO)CC2)C1 ZINC001169010522 927618086 /nfs/dbraw/zinc/61/80/86/927618086.db2.gz CWOLODCJFKZKGL-JHJVBQTASA-N 1 0 274.336 1.618 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@](O)(CF)C2)C1 ZINC001169013766 927620653 /nfs/dbraw/zinc/62/06/53/927620653.db2.gz WHXHBPDTYRUUSO-AGIUHOORSA-N 1 0 274.336 1.618 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](CO)c2ccncc2)C1 ZINC001168986621 927623029 /nfs/dbraw/zinc/62/30/29/927623029.db2.gz XTYWCDLDGVQBRM-RAIGVLPGSA-N 1 0 265.313 1.150 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2CN2CCCC2)C1 ZINC001169037774 927646585 /nfs/dbraw/zinc/64/65/85/927646585.db2.gz UEGYUCDWKFWRQN-RRFJBIMHSA-N 1 0 281.400 1.992 20 5 CDBDRO CC[C@@]12C[C@@H](CO1)[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169039021 927650373 /nfs/dbraw/zinc/65/03/73/927650373.db2.gz MJYKBFDKVQOIHH-VOAKCMCISA-N 1 0 254.330 1.685 20 5 CDBDRO CC[N@H+](CCN1CCOCC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039882 927653476 /nfs/dbraw/zinc/65/34/76/927653476.db2.gz VIIGUQZHZDPZDO-KBPBESRZSA-N 1 0 285.388 1.086 20 5 CDBDRO C[NH2+]CCc1c(C)nn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1C ZINC001169039880 927654172 /nfs/dbraw/zinc/65/41/72/927654172.db2.gz VGIPJBXUMQQDRB-QWHCGFSZSA-N 1 0 280.372 1.880 20 5 CDBDRO CN1CCC2(CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)C1=O ZINC001169045669 927657580 /nfs/dbraw/zinc/65/75/80/927657580.db2.gz JPSBNVWENDDITD-QWHCGFSZSA-N 1 0 295.383 1.376 20 5 CDBDRO CN(C)C(=O)NC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169050397 927668696 /nfs/dbraw/zinc/66/86/96/927668696.db2.gz ZGTWKKKTBPFELR-WCQYABFASA-N 1 0 298.387 1.167 20 5 CDBDRO COC(=O)[C@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1C ZINC001169057696 927675605 /nfs/dbraw/zinc/67/56/05/927675605.db2.gz XBBSSQIAIGRJFE-BJDJZHNGSA-N 1 0 270.329 1.173 20 5 CDBDRO Cc1ccc(-c2ccc(=NOCC[NH3+])[nH]n2)cc1[N+](=O)[O-] ZINC001156294528 927948007 /nfs/dbraw/zinc/94/80/07/927948007.db2.gz NYPINBAHEKFEJM-UHFFFAOYSA-N 1 0 289.295 1.662 20 5 CDBDRO Cc1c[n+]([O-])c(NCC23CC[NH+](CC2)CC3)cc1[N+](=O)[O-] ZINC001169794572 928442783 /nfs/dbraw/zinc/44/27/83/928442783.db2.gz PNYLNTMPJRQTGD-UHFFFAOYSA-N 1 0 292.339 1.434 20 5 CDBDRO C[C@H](Nc1cc([N+](=O)[O-])cc(Cl)n1)[C@H]1C[NH2+]CCO1 ZINC001159488187 930258458 /nfs/dbraw/zinc/25/84/58/930258458.db2.gz AOVZQPHMWZLEGI-IONNQARKSA-N 1 0 286.719 1.432 20 5 CDBDRO CCOCC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001154340997 931449799 /nfs/dbraw/zinc/44/97/99/931449799.db2.gz FBXITZWIWNOUGU-UHFFFAOYSA-N 1 0 295.339 1.227 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+](C)C ZINC000049932407 937508077 /nfs/dbraw/zinc/50/80/77/937508077.db2.gz BYVVUYHOARNREO-UHFFFAOYSA-N 1 0 294.355 1.707 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cc(NC[C@H]2CCCC[NH2+]2)n1 ZINC001171328480 932689541 /nfs/dbraw/zinc/68/95/41/932689541.db2.gz PDGXDIQGINWUEJ-SECBINFHSA-N 1 0 294.311 1.330 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(-n2cncc2C2CC[NH2+]CC2)n1 ZINC001155057585 937629027 /nfs/dbraw/zinc/62/90/27/937629027.db2.gz KQPRPFPDDCIXEG-UHFFFAOYSA-N 1 0 288.311 1.346 20 5 CDBDRO O=C1NCc2c1c([N+](=O)[O-])ccc2NC[C@H]1CCCC[NH2+]1 ZINC001171339482 932796431 /nfs/dbraw/zinc/79/64/31/932796431.db2.gz MTSBGOLMFIAFDM-SECBINFHSA-N 1 0 290.323 1.392 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001120558562 937809841 /nfs/dbraw/zinc/80/98/41/937809841.db2.gz HFTIUJYTCAAKHP-IUCAKERBSA-N 1 0 266.301 1.302 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1C[NH+]2CCC1CC2 ZINC001120795871 937836361 /nfs/dbraw/zinc/83/63/61/937836361.db2.gz GFFAZPIQSMZFEN-ZDUSSCGKSA-N 1 0 289.335 1.348 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CCNc2ccc([N+](=O)[O-])c(N)n2)C1 ZINC001156389403 938362233 /nfs/dbraw/zinc/36/22/33/938362233.db2.gz PFAAWLLOFLLKLL-JTQLQIEISA-N 1 0 279.344 1.716 20 5 CDBDRO COc1nc(-n2nc(C[NH3+])c3ccccc32)ccc1[N+](=O)[O-] ZINC001156855507 938426203 /nfs/dbraw/zinc/42/62/03/938426203.db2.gz BTCONGOGLDZBNT-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO Cc1nc(N2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001157283243 938475197 /nfs/dbraw/zinc/47/51/97/938475197.db2.gz TVSDMFGHMOOIET-ZYHUDNBSSA-N 1 0 277.328 1.224 20 5 CDBDRO O=C(NCCC[NH2+]CC1CCCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767579 938542847 /nfs/dbraw/zinc/54/28/47/938542847.db2.gz RDSXLZBJRJJAQG-ZIAGYGMSSA-N 1 0 297.399 1.718 20 5 CDBDRO CCC1(Nc2nc(Cl)nc(C)c2[N+](=O)[O-])C[NH2+]C1 ZINC001157777672 938544758 /nfs/dbraw/zinc/54/47/58/938544758.db2.gz SUIHCYDKJXMWOY-UHFFFAOYSA-N 1 0 271.708 1.511 20 5 CDBDRO C[C@H]([NH3+])c1ccn(-c2ncc([N+](=O)[O-])cc2Cl)n1 ZINC001158344679 938610988 /nfs/dbraw/zinc/61/09/88/938610988.db2.gz GRRUZKGRMMKDOH-LURJTMIESA-N 1 0 267.676 1.849 20 5 CDBDRO C[C@@H]([NH3+])c1ccn(-c2cc([N+](=O)[O-])cc(Cl)n2)n1 ZINC001158344893 938611117 /nfs/dbraw/zinc/61/11/17/938611117.db2.gz JAAZQVHRTBGOMV-ZCFIWIBFSA-N 1 0 267.676 1.849 20 5 CDBDRO C[C@@H]([NH3+])c1ccn(-c2nccc(Cl)c2[N+](=O)[O-])n1 ZINC001158344626 938611155 /nfs/dbraw/zinc/61/11/55/938611155.db2.gz FQXMSTFCWWBIHP-ZCFIWIBFSA-N 1 0 267.676 1.849 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC[N@@H+]3CC[C@@H]3C2)c1 ZINC001158424214 938622552 /nfs/dbraw/zinc/62/25/52/938622552.db2.gz CPPSCTRFSSJLEK-MRVPVSSYSA-N 1 0 268.704 1.538 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC[NH2+]C3(CC3)C2)c1 ZINC001158933334 938679796 /nfs/dbraw/zinc/67/97/96/938679796.db2.gz LMHPDZJCZSRFRS-UHFFFAOYSA-N 1 0 268.704 1.585 20 5 CDBDRO Cc1nc(Cl)nc(N2CC3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001159018421 938690423 /nfs/dbraw/zinc/69/04/23/938690423.db2.gz RAIYORCCPNOPAC-UHFFFAOYSA-N 1 0 297.746 1.536 20 5 CDBDRO CCC[C@H](C)Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001161714482 938925463 /nfs/dbraw/zinc/92/54/63/938925463.db2.gz DIJYCBJXNBRNKN-JTQLQIEISA-N 1 0 294.359 1.395 20 5 CDBDRO [NH3+]C1CCN(CCNc2cc(Cl)cc([N+](=O)[O-])n2)CC1 ZINC001161867467 938937146 /nfs/dbraw/zinc/93/71/46/938937146.db2.gz IAXGGKFKHMXVBV-UHFFFAOYSA-N 1 0 299.762 1.478 20 5 CDBDRO [NH3+]Cc1cn(-c2ccc([N+](=O)[O-])c3cnccc32)cn1 ZINC001162302413 938975449 /nfs/dbraw/zinc/97/54/49/938975449.db2.gz QJAQEVCMMZZHNR-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO COc1nc(N[C@]2(C)CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC001162340519 939029591 /nfs/dbraw/zinc/02/95/91/939029591.db2.gz DDHTXGQIRLBDRW-CYBMUJFWSA-N 1 0 280.328 1.895 20 5 CDBDRO COc1ccnc(N[C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001162390086 939042273 /nfs/dbraw/zinc/04/22/73/939042273.db2.gz BWRFVSWAFMPJBB-IUCAKERBSA-N 1 0 266.301 1.680 20 5 CDBDRO COC(=O)c1ncc([N+](=O)[O-])cc1NC[C@H]1C[NH2+][C@H](C)C1 ZINC001162562453 939088516 /nfs/dbraw/zinc/08/85/16/939088516.db2.gz KQHYYDVQQJBIFS-RKDXNWHRSA-N 1 0 294.311 1.186 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1cc([N+](=O)[O-])c2nccn2c1 ZINC001162678134 939112944 /nfs/dbraw/zinc/11/29/44/939112944.db2.gz XOGQZGDJDZVTQY-PSASIEDQSA-N 1 0 261.285 1.405 20 5 CDBDRO Cc1nc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)ccc1[N+](=O)[O-] ZINC001162790422 939140439 /nfs/dbraw/zinc/14/04/39/939140439.db2.gz SIIKCMQHAJOURJ-HBNTYKKESA-N 1 0 260.297 1.484 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2ccc(N[C@@H]3C=C[C@H]4C[NH2+]C[C@@H]43)nc21 ZINC001162796026 939143167 /nfs/dbraw/zinc/14/31/67/939143167.db2.gz BTROISIIGLMRGQ-LPEHRKFASA-N 1 0 285.307 1.657 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N[C@@H]1COC[C@@H]1[NH3+] ZINC001162925828 939162128 /nfs/dbraw/zinc/16/21/28/939162128.db2.gz CSRWZEOLCICVLL-CMPLNLGQSA-N 1 0 295.339 1.828 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NCC[C@H]2CCOC23C[NH2+]C3)n1 ZINC001163089008 939196565 /nfs/dbraw/zinc/19/65/65/939196565.db2.gz JBOWNBIDHJIPJG-NSHDSACASA-N 1 0 292.339 1.479 20 5 CDBDRO Cc1c(F)cc([N+](=O)[O-])cc1N[C@@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001163254713 939233692 /nfs/dbraw/zinc/23/36/92/939233692.db2.gz PMHHZAQVRLBGAN-DGCLKSJQSA-N 1 0 294.286 1.032 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)cnc1F ZINC001163267224 939235870 /nfs/dbraw/zinc/23/58/70/939235870.db2.gz NKRJSLFZKRBJBW-JEZHCXPESA-N 1 0 266.276 1.539 20 5 CDBDRO Cc1cc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC001163313521 939244992 /nfs/dbraw/zinc/24/49/92/939244992.db2.gz BQLDYRVTWNQLJD-SMDDNHRTSA-N 1 0 292.339 1.621 20 5 CDBDRO O=[N+]([O-])c1cnc2ccc(N[C@H]3C[NH+]4CCC3CC4)cn21 ZINC001163393143 939261005 /nfs/dbraw/zinc/26/10/05/939261005.db2.gz NIQMNNRWAMRZRG-LBPRGKRZSA-N 1 0 287.323 1.749 20 5 CDBDRO C[C@@H]1CCC[C@H](C)N1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001163550035 939285008 /nfs/dbraw/zinc/28/50/08/939285008.db2.gz LBRPJLHSQHWIJZ-AOOOYVTPSA-N 1 0 291.355 1.839 20 5 CDBDRO CN(CC[NH+](C)C)c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001163590311 939290298 /nfs/dbraw/zinc/29/02/98/939290298.db2.gz PYXHWYJWQUEKTC-UHFFFAOYSA-N 1 0 275.312 1.536 20 5 CDBDRO CN(CCC[NH+](C)C)c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001163596236 939291827 /nfs/dbraw/zinc/29/18/27/939291827.db2.gz YXNLYYXELSVJCM-UHFFFAOYSA-N 1 0 289.339 1.926 20 5 CDBDRO Cc1ccnc(N2C[C@@H](C)CC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC001164070956 939405062 /nfs/dbraw/zinc/40/50/62/939405062.db2.gz QVYCQKGVXXIWHP-GXSJLCMTSA-N 1 0 264.329 1.862 20 5 CDBDRO COc1cc(N2C[C@@H](C)CC[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC001164072190 939405527 /nfs/dbraw/zinc/40/55/27/939405527.db2.gz XNUSSUKFSLYHRX-UWVGGRQHSA-N 1 0 280.328 1.562 20 5 CDBDRO CC(C)(C)c1cnc(N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001164279426 939444854 /nfs/dbraw/zinc/44/48/54/939444854.db2.gz QZGUUGZXMLCOKP-SNVBAGLBSA-N 1 0 264.329 1.825 20 5 CDBDRO COc1cc(N2CCC[C@@H]2C[NH+](C)C)ncc1[N+](=O)[O-] ZINC001165073900 939507103 /nfs/dbraw/zinc/50/71/03/939507103.db2.gz XDYPGJOGGNQDSQ-SNVBAGLBSA-N 1 0 280.328 1.529 20 5 CDBDRO C[NH+]1C[C@@H]2CN(c3ncc(F)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001165152020 939519785 /nfs/dbraw/zinc/51/97/85/939519785.db2.gz WJQJDQMAGUDASM-RKDXNWHRSA-N 1 0 266.276 1.127 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001165296293 939542210 /nfs/dbraw/zinc/54/22/10/939542210.db2.gz AUFAFNWFGGXCFL-DTWKUNHWSA-N 1 0 268.704 1.584 20 5 CDBDRO [NH3+][C@@]12C[C@@H]1CCN(c1ncc([N+](=O)[O-])cc1F)C2 ZINC001165328546 939546220 /nfs/dbraw/zinc/54/62/20/939546220.db2.gz VZRBJAIVKQGFIV-WRWORJQWSA-N 1 0 252.249 1.056 20 5 CDBDRO Cc1nc(N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)ncc1[N+](=O)[O-] ZINC001165432009 939564241 /nfs/dbraw/zinc/56/42/41/939564241.db2.gz FAHBSMJEDXKRDE-NXEZZACHSA-N 1 0 295.318 1.206 20 5 CDBDRO Cc1ccnc(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)c1[N+](=O)[O-] ZINC001165434526 939564803 /nfs/dbraw/zinc/56/48/03/939564803.db2.gz ZOUBXKDTXFDSLO-WDEREUQCSA-N 1 0 294.330 1.811 20 5 CDBDRO Cc1nc(Cl)nc(N2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC001166661450 939623600 /nfs/dbraw/zinc/62/36/00/939623600.db2.gz AWWAGVLHXHHTIP-UHFFFAOYSA-N 1 0 271.708 1.274 20 5 CDBDRO COc1ccc(C(=O)N2CC[C@](C)([NH3+])C2)cc1[N+](=O)[O-] ZINC000405781296 940997471 /nfs/dbraw/zinc/99/74/71/940997471.db2.gz POVNAGQAZSWFHP-ZDUSSCGKSA-N 1 0 279.296 1.167 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000720726211 941473960 /nfs/dbraw/zinc/47/39/60/941473960.db2.gz HRFIFCVHGLBYOM-GFCCVEGCSA-N 1 0 277.324 1.713 20 5 CDBDRO C[C@@H](CN1CCOCC1)OCc1ccc([N+](=O)[O-])cc1 ZINC001222789334 941634698 /nfs/dbraw/zinc/63/46/98/941634698.db2.gz KJNBODMQQLFVDK-LBPRGKRZSA-N 1 0 280.324 1.832 20 5 CDBDRO Cc1cnc(COC(=O)C[C@@H](O)C[N+](C)(C)C)c(C)c1 ZINC001223496400 941682128 /nfs/dbraw/zinc/68/21/28/941682128.db2.gz JPHLLEPRMFQAFU-CYBMUJFWSA-N 1 0 281.376 1.199 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCc1ccccc1C(N)=O ZINC001223723657 941694304 /nfs/dbraw/zinc/69/43/04/941694304.db2.gz JFFNEGWBBVYCTQ-LLVKDONJSA-O 1 0 251.350 1.397 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCc1ccc(-n2nccn2)cc1 ZINC001224196605 941730075 /nfs/dbraw/zinc/73/00/75/941730075.db2.gz ZIFGGQKBXOTIAO-CYBMUJFWSA-N 1 0 275.376 1.879 20 5 CDBDRO C[N+](C)(C)CCCOC1CN(Cc2ccccc2)C1 ZINC001224619768 941776738 /nfs/dbraw/zinc/77/67/38/941776738.db2.gz QFOYLASMTFTDKY-UHFFFAOYSA-N 1 0 263.405 1.984 20 5 CDBDRO C[N+](C)(C)CCCO[C@H](C[N+](=O)[O-])c1cccnc1 ZINC001224624782 941777071 /nfs/dbraw/zinc/77/70/71/941777071.db2.gz YZAQMKXCTHHWHE-CYBMUJFWSA-N 1 0 268.337 1.512 20 5 CDBDRO CC(C)Oc1ccccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225209011 941830526 /nfs/dbraw/zinc/83/05/26/941830526.db2.gz HFCYITNMOAUGTD-CYBMUJFWSA-N 1 0 296.387 1.836 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Cl)ccc1C(N)=O ZINC001225395167 941852550 /nfs/dbraw/zinc/85/25/50/941852550.db2.gz YMGRVFFINXDOPY-SECBINFHSA-O 1 0 271.768 1.912 20 5 CDBDRO O=[N+]([O-])c1cccnc1OC1CC[NH+](C2CC2)CC1 ZINC001225592563 941886100 /nfs/dbraw/zinc/88/61/00/941886100.db2.gz IEOYGPSSHFAQDB-UHFFFAOYSA-N 1 0 263.297 1.995 20 5 CDBDRO C[N@@H+]1CCC[C@H](Oc2cccnc2[N+](=O)[O-])CC1 ZINC001225628804 941890428 /nfs/dbraw/zinc/89/04/28/941890428.db2.gz WFONQJQRTOXTJD-JTQLQIEISA-N 1 0 251.286 1.853 20 5 CDBDRO CC[NH+]1CCC(Oc2[nH]ccc(=O)c2[N+](=O)[O-])CC1 ZINC001225666138 941897257 /nfs/dbraw/zinc/89/72/57/941897257.db2.gz GPZYBDAZKFAOSR-UHFFFAOYSA-N 1 0 267.285 1.559 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226166949 941961565 /nfs/dbraw/zinc/96/15/65/941961565.db2.gz APCSUQHORHPYGH-JTQLQIEISA-N 1 0 279.296 1.167 20 5 CDBDRO COC(=O)COc1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001226225617 941970467 /nfs/dbraw/zinc/97/04/67/941970467.db2.gz DJDBAJITZAOUTI-GFCCVEGCSA-N 1 0 282.360 1.712 20 5 CDBDRO COC(=O)c1ccc(O[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001227295062 942164124 /nfs/dbraw/zinc/16/41/24/942164124.db2.gz ISYRFGHALNURNY-NSHDSACASA-N 1 0 294.307 1.854 20 5 CDBDRO COC(=O)c1ccc(O[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001227294644 942164425 /nfs/dbraw/zinc/16/44/25/942164425.db2.gz GDQSIYONHKWADX-SECBINFHSA-N 1 0 282.296 1.710 20 5 CDBDRO COC(=O)c1cccc(OC)c1O[C@@H](C)C[N+](C)(C)C ZINC001228162591 942277647 /nfs/dbraw/zinc/27/76/47/942277647.db2.gz GBUTWFPLTMYYAI-NSHDSACASA-N 1 0 282.360 1.955 20 5 CDBDRO Cc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)nc(C(C)C)n1 ZINC001228251192 942284378 /nfs/dbraw/zinc/28/43/78/942284378.db2.gz BBSHTBDLGFSQQX-GFCCVEGCSA-N 1 0 296.391 1.271 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cc2oc(=O)ccc2cc1O ZINC001228479924 942326655 /nfs/dbraw/zinc/32/66/55/942326655.db2.gz YTSMLOWAOAYAKW-SNVBAGLBSA-O 1 0 278.328 1.972 20 5 CDBDRO COC(=O)c1cc(O[C@@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001228768819 942373063 /nfs/dbraw/zinc/37/30/63/942373063.db2.gz MSIVDRXXHDPTPQ-GFCCVEGCSA-N 1 0 294.307 1.854 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](Oc2cc[n+]([O-])cc2[N+](=O)[O-])C1 ZINC001229451987 942476571 /nfs/dbraw/zinc/47/65/71/942476571.db2.gz LOSVGGGERQSBGG-JTQLQIEISA-N 1 0 267.285 1.090 20 5 CDBDRO COC(=O)c1cc(O[C@@H]2CC[N@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC001229941074 942554358 /nfs/dbraw/zinc/55/43/58/942554358.db2.gz HTBCDJDBNIVVNP-MRVPVSSYSA-N 1 0 298.270 1.603 20 5 CDBDRO C[C@H](C[NH+](C)C)Oc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001230314720 942606538 /nfs/dbraw/zinc/60/65/38/942606538.db2.gz GCCXJYDACJMUSS-MRVPVSSYSA-N 1 0 269.257 1.832 20 5 CDBDRO Cc1nccc([N+](=O)[O-])c1O[C@H]1C[NH+]2CCC1CC2 ZINC001234899266 943969094 /nfs/dbraw/zinc/96/90/94/943969094.db2.gz BELYZGQILFUQAD-LBPRGKRZSA-N 1 0 263.297 1.771 20 5 CDBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001262567148 946717138 /nfs/dbraw/zinc/71/71/38/946717138.db2.gz KCQUKRRFNQSGAP-GXFFZTMASA-N 1 0 280.324 1.723 20 5 CDBDRO COC(=O)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254540710 947518078 /nfs/dbraw/zinc/51/80/78/947518078.db2.gz UQXMRZHZBAMZIC-JTQLQIEISA-N 1 0 266.297 1.679 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[C@@H](O)CC1)C2 ZINC001254574680 947532848 /nfs/dbraw/zinc/53/28/48/947532848.db2.gz JUMBGRAXRJUQCU-NFAWXSAZSA-N 1 0 276.336 1.955 20 5 CDBDRO COC(=O)[C@@H]1C[C@H]1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254583978 947539530 /nfs/dbraw/zinc/53/95/30/947539530.db2.gz FKCMENKMBGYYDV-SGMGOOAPSA-N 1 0 290.319 1.461 20 5 CDBDRO COC(=O)C(C)(C)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254584130 947540891 /nfs/dbraw/zinc/54/08/91/947540891.db2.gz PYDAEXYYGBGFMN-GFCCVEGCSA-N 1 0 292.335 1.851 20 5 CDBDRO CCCC[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254587915 947544075 /nfs/dbraw/zinc/54/40/75/947544075.db2.gz CGEUBYRUCWHYSW-OCCSQVGLSA-N 1 0 291.351 1.696 20 5 CDBDRO [NH3+][C@@H]1C[C@@H](F)CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246571097 948292130 /nfs/dbraw/zinc/29/21/30/948292130.db2.gz DBEXXDYLJSHIOK-YRGRVCCFSA-N 1 0 279.315 1.433 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(OC[C@@H]2CCC[NH2+]C2)n1 ZINC001326052061 954198768 /nfs/dbraw/zinc/19/87/68/954198768.db2.gz KYXWDXVDDLFYMZ-LLVKDONJSA-N 1 0 265.313 1.985 20 5 CDBDRO CCOc1ccc(C(=O)NCC[C@@H](C)[NH2+]C)cc1[N+](=O)[O-] ZINC001326275624 954296051 /nfs/dbraw/zinc/29/60/51/954296051.db2.gz KUMBFSMQKMAFPN-SNVBAGLBSA-N 1 0 295.339 1.721 20 5 CDBDRO CC(C)C[NH2+]Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC001329432591 955913248 /nfs/dbraw/zinc/91/32/48/955913248.db2.gz GQMMLDWLOBUNCN-UHFFFAOYSA-N 1 0 291.311 1.709 20 5 CDBDRO CC(C)(CCc1noc([C@@H]2[NH2+]C[C@@H]3C[C@@H]32)n1)[N+](=O)[O-] ZINC001330196703 956319501 /nfs/dbraw/zinc/31/95/01/956319501.db2.gz AZLWAGUKLWWCLX-OYNCUSHFSA-N 1 0 266.301 1.338 20 5 CDBDRO COc1c(O)ccc(C[NH2+]C2(C)CC2)c1[N+](=O)[O-] ZINC001334182524 958911480 /nfs/dbraw/zinc/91/14/80/958911480.db2.gz IWFQODCQZIAGHT-UHFFFAOYSA-N 1 0 252.270 1.951 20 5 CDBDRO CC(C)[C@@](C)(O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335421377 959791620 /nfs/dbraw/zinc/79/16/20/959791620.db2.gz MDSRTRRXUIQYHG-KBPBESRZSA-N 1 0 282.340 1.625 20 5 CDBDRO CC[N@H+](CCCNCC[N+](=O)[O-])C1CCCCC1 ZINC001335443590 959805488 /nfs/dbraw/zinc/80/54/88/959805488.db2.gz GWWULMWBWJJEFV-UHFFFAOYSA-N 1 0 257.378 1.897 20 5 CDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CO1 ZINC001335969392 960129667 /nfs/dbraw/zinc/12/96/67/960129667.db2.gz SVRPVFGDKZNVHJ-WZRBSPASSA-N 1 0 296.323 1.102 20 5 CDBDRO C[NH+]1CCC(NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001337680953 961357419 /nfs/dbraw/zinc/35/74/19/961357419.db2.gz YLDONSDIHJDQSB-UHFFFAOYSA-N 1 0 296.302 1.950 20 5 CDBDRO CN(C)[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001338406614 961783475 /nfs/dbraw/zinc/78/34/75/961783475.db2.gz BJNZXSVCCQXXER-LSDHHAIUSA-N 1 0 293.367 1.558 20 5 CDBDRO C[NH2+]C1(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CCC1 ZINC001341372644 963387409 /nfs/dbraw/zinc/38/74/09/963387409.db2.gz KQXAYHLIWGQVTG-UHFFFAOYSA-N 1 0 293.323 1.362 20 5 CDBDRO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC001341889597 963573372 /nfs/dbraw/zinc/57/33/72/963573372.db2.gz OOCMLCHYJHDBQF-GJQVQUKXSA-N 1 0 289.335 1.504 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001341908711 963577875 /nfs/dbraw/zinc/57/78/75/963577875.db2.gz ZGOOGFXPMMFQEL-NWDGAFQWSA-N 1 0 289.335 1.585 20 5 CDBDRO C[C@H](NC(=O)CC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001342590945 963773026 /nfs/dbraw/zinc/77/30/26/963773026.db2.gz MAKVDOBMGVEUEQ-JTQLQIEISA-N 1 0 277.324 1.914 20 5 CDBDRO C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001343460063 963992553 /nfs/dbraw/zinc/99/25/53/963992553.db2.gz VOUBZINLCNKPRP-ZLKJLUDKSA-N 1 0 289.335 1.519 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1CC=CC1 ZINC001356534069 969421462 /nfs/dbraw/zinc/42/14/62/969421462.db2.gz VPTTVNGYSGKWKS-GFCCVEGCSA-N 1 0 278.308 1.643 20 5 CDBDRO O=[N+]([O-])c1cccc(-c2ccc(CNC3C[NH2+]C3)o2)c1 ZINC001574440731 1170983210 /nfs/dbraw/zinc/98/32/10/1170983210.db2.gz GTRGSBNMJASHNH-UHFFFAOYSA-N 1 0 273.292 1.916 20 5 CDBDRO C[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)[NH+](C)C ZINC000044498807 341977486 /nfs/dbraw/zinc/97/74/86/341977486.db2.gz XCIHZSQGHJCAHZ-ZETCQYMHSA-N 1 0 257.315 1.336 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000600191675 341984206 /nfs/dbraw/zinc/98/42/06/341984206.db2.gz MHPBYGIDZSLLLC-XWFMMTFPSA-N 1 0 278.308 1.036 20 5 CDBDRO C[N@@H+]1CCC[C@]2(CCN(c3ccc([N+](=O)[O-])nc3)C2)C1 ZINC000590141938 342522647 /nfs/dbraw/zinc/52/26/47/342522647.db2.gz SSGJTMLKOSCVTR-AWEZNQCLSA-N 1 0 276.340 1.912 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000320669362 341993876 /nfs/dbraw/zinc/99/38/76/341993876.db2.gz JHPLWUNUEACPNY-HTQZYQBOSA-N 1 0 269.276 1.590 20 5 CDBDRO O=[N+]([O-])c1cccc(OCCN2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000601329491 342554518 /nfs/dbraw/zinc/55/45/18/342554518.db2.gz JSOUMVYRFSLGST-TXEJJXNPSA-N 1 0 277.324 1.410 20 5 CDBDRO O=C([C@H]1CC[NH2+]C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000262638271 361743008 /nfs/dbraw/zinc/74/30/08/361743008.db2.gz NWWACJZDOFCDNJ-VIFPVBQESA-N 1 0 261.281 1.093 20 5 CDBDRO C[C@@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)[NH+](C)C ZINC000590660545 342581489 /nfs/dbraw/zinc/58/14/89/342581489.db2.gz FHKAXDWQCDSKFL-JTQLQIEISA-N 1 0 295.339 1.406 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](C)[NH3+] ZINC000591301599 342624604 /nfs/dbraw/zinc/62/46/04/342624604.db2.gz HDWDBHGGPNOYLG-SECBINFHSA-N 1 0 266.301 1.680 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3CCCC[NH2+]3)c21 ZINC000591430065 342630024 /nfs/dbraw/zinc/63/00/24/342630024.db2.gz WAURFZJYKSNMRF-JTQLQIEISA-N 1 0 287.323 1.514 20 5 CDBDRO O=[N+]([O-])c1cccc(CN2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000591448452 342632802 /nfs/dbraw/zinc/63/28/02/342632802.db2.gz IBPKKXYRURQJQJ-JSGCOSHPSA-N 1 0 261.325 1.779 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCN2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000591448938 342632984 /nfs/dbraw/zinc/63/29/84/342632984.db2.gz QXBPKGONTZGKGB-WFASDCNBSA-N 1 0 291.351 1.657 20 5 CDBDRO O=[N+]([O-])c1ccc(CCN2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000591448635 342633025 /nfs/dbraw/zinc/63/30/25/342633025.db2.gz KUVFBTHDAIWWDJ-DZGCQCFKSA-N 1 0 275.352 1.821 20 5 CDBDRO CN(CCC[NH3+])C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000591678857 342641509 /nfs/dbraw/zinc/64/15/09/342641509.db2.gz GPTAFVUBIBTSQW-UHFFFAOYSA-N 1 0 288.307 1.564 20 5 CDBDRO CC1([NH3+])CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000592331100 342685286 /nfs/dbraw/zinc/68/52/86/342685286.db2.gz HOBSGLSWQHBHIL-UHFFFAOYSA-N 1 0 293.323 1.313 20 5 CDBDRO Cc1nn(C)c(-c2nc([C@H]3CCC[NH2+]3)no2)c1[N+](=O)[O-] ZINC000592356981 342688418 /nfs/dbraw/zinc/68/84/18/342688418.db2.gz OKVGSRKCPRVTBU-SSDOTTSWSA-N 1 0 278.272 1.111 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000592475664 342698939 /nfs/dbraw/zinc/69/89/39/342698939.db2.gz SJPOCSNGXSFLSB-BXUZGUMPSA-N 1 0 295.339 1.022 20 5 CDBDRO CC[NH+](CC)CC(=O)Nc1cc([N+](=O)[O-])ccc1NC ZINC000592828486 342741010 /nfs/dbraw/zinc/74/10/10/342741010.db2.gz JRLJAJFEHXHZDI-UHFFFAOYSA-N 1 0 280.328 1.917 20 5 CDBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CC[N@H+](C)C1 ZINC000592830951 342741486 /nfs/dbraw/zinc/74/14/86/342741486.db2.gz JCNANGNTJCJVHZ-SNVBAGLBSA-N 1 0 281.312 1.744 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000068469723 342180917 /nfs/dbraw/zinc/18/09/17/342180917.db2.gz OZOSKGGPSOLFOA-MRVPVSSYSA-N 1 0 255.274 1.258 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000306006372 342184819 /nfs/dbraw/zinc/18/48/19/342184819.db2.gz ODWZSCKUSHYLIG-UHFFFAOYSA-N 1 0 251.286 1.324 20 5 CDBDRO Cc1c(C(=O)N2CCCO[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000313333671 342187975 /nfs/dbraw/zinc/18/79/75/342187975.db2.gz FODUSGOBWMTFLQ-NSHDSACASA-N 1 0 293.323 1.093 20 5 CDBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC(=O)N1 ZINC000453588656 252328149 /nfs/dbraw/zinc/32/81/49/252328149.db2.gz LKERMFZNZREZES-CYBMUJFWSA-N 1 0 263.297 1.353 20 5 CDBDRO O=C(NCC[C@H]1CCC[NH2+]1)Nc1cccc([N+](=O)[O-])c1 ZINC000166762164 362000131 /nfs/dbraw/zinc/00/01/31/362000131.db2.gz MVCOTCGFDOFFKC-SNVBAGLBSA-N 1 0 278.312 1.858 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000593901231 342853707 /nfs/dbraw/zinc/85/37/07/342853707.db2.gz CKYPZKJIVGMPGS-GFCCVEGCSA-N 1 0 277.324 1.601 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCCCC[C@@H]2CO)c1 ZINC000594016812 342865912 /nfs/dbraw/zinc/86/59/12/342865912.db2.gz IXCXSSCCPCIDTF-LLVKDONJSA-N 1 0 268.317 1.028 20 5 CDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000594430029 342897764 /nfs/dbraw/zinc/89/77/64/342897764.db2.gz UXFHKAPJANUJIF-IUODEOHRSA-N 1 0 289.335 1.601 20 5 CDBDRO CCN(CC[NH3+])CCOc1ccc([N+](=O)[O-])cc1 ZINC000600718510 342244467 /nfs/dbraw/zinc/24/44/67/342244467.db2.gz XXGBIWNSLXLKKP-UHFFFAOYSA-N 1 0 253.302 1.254 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594601290 342923893 /nfs/dbraw/zinc/92/38/93/342923893.db2.gz NICQIZYANLEYHZ-MNOVXSKESA-N 1 0 279.344 1.757 20 5 CDBDRO COCCOCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594504538 342914786 /nfs/dbraw/zinc/91/47/86/342914786.db2.gz OSTHNJMFOKPFKI-CYBMUJFWSA-N 1 0 280.324 1.835 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000127820454 342286082 /nfs/dbraw/zinc/28/60/82/342286082.db2.gz ZIQALHXXWVLFKE-ZWNOBZJWSA-N 1 0 293.323 1.091 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCNC(C)=O ZINC000595004924 342995634 /nfs/dbraw/zinc/99/56/34/342995634.db2.gz UIZPGYOJTIVWLR-SNVBAGLBSA-N 1 0 295.339 1.780 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](O)C[NH+](C)C ZINC000595019571 342995991 /nfs/dbraw/zinc/99/59/91/342995991.db2.gz RJUUKHFFNICSER-CMPLNLGQSA-N 1 0 297.355 1.177 20 5 CDBDRO COC[C@H](O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595035947 342997823 /nfs/dbraw/zinc/99/78/23/342997823.db2.gz NSXSZFFXPPFALC-ZYHUDNBSSA-N 1 0 298.339 1.651 20 5 CDBDRO CNC(=O)CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595015999 343001149 /nfs/dbraw/zinc/00/11/49/343001149.db2.gz PGNRJSWICZSLIZ-SNVBAGLBSA-N 1 0 295.339 1.780 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C/C=C\CO ZINC000595069773 343002285 /nfs/dbraw/zinc/00/22/85/343002285.db2.gz KUIGINFMCFAPKJ-XOULXFPDSA-N 1 0 266.297 1.803 20 5 CDBDRO Cc1noc(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595505758 343080220 /nfs/dbraw/zinc/08/02/20/343080220.db2.gz VNHIUGDZHDFJCC-DTORHVGOSA-N 1 0 268.317 1.416 20 5 CDBDRO CO[C@H]1COC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000290096074 362081223 /nfs/dbraw/zinc/08/12/23/362081223.db2.gz IGKSAWBKSTWNDD-RYUDHWBXSA-N 1 0 252.270 1.098 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)C[NH+](C)C)n1 ZINC000166826192 362081726 /nfs/dbraw/zinc/08/17/26/362081726.db2.gz LCFZPNRARRQUAI-MRVPVSSYSA-N 1 0 282.300 1.138 20 5 CDBDRO C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1CCO ZINC000595697460 343124998 /nfs/dbraw/zinc/12/49/98/343124998.db2.gz LISWWRLKZFGVPN-YPMHNXCESA-N 1 0 282.344 1.274 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1Cn1ccnc1C[NH3+] ZINC000600966312 342354611 /nfs/dbraw/zinc/35/46/11/342354611.db2.gz MKBFGSGUPMAPBU-UHFFFAOYSA-N 1 0 262.269 1.307 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CC(C)(C)[NH3+] ZINC000595962398 343197237 /nfs/dbraw/zinc/19/72/37/343197237.db2.gz QSZDGJRPQVWKBO-UHFFFAOYSA-N 1 0 265.313 1.713 20 5 CDBDRO Nc1c(C(=O)NCC2([NH3+])CCCC2)cccc1[N+](=O)[O-] ZINC000595941388 343203689 /nfs/dbraw/zinc/20/36/89/343203689.db2.gz OBHYRMYIYVYKJG-UHFFFAOYSA-N 1 0 278.312 1.178 20 5 CDBDRO [NH3+]C1(CNC(=O)Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000595941029 343203747 /nfs/dbraw/zinc/20/37/47/343203747.db2.gz KLIVIZMPJKNNOM-UHFFFAOYSA-N 1 0 277.324 1.525 20 5 CDBDRO CC(C)C[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)[NH+](C)C ZINC000596070275 343225075 /nfs/dbraw/zinc/22/50/75/343225075.db2.gz AFECJPJOIUTZBY-SNVBAGLBSA-N 1 0 281.360 1.382 20 5 CDBDRO C[NH+](C)CC1CN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596247198 343286499 /nfs/dbraw/zinc/28/64/99/343286499.db2.gz MPNARFLUAJYITJ-UHFFFAOYSA-N 1 0 270.720 1.641 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000596482706 343327863 /nfs/dbraw/zinc/32/78/63/343327863.db2.gz UNDSARYLPNWCLR-SECBINFHSA-N 1 0 266.301 1.137 20 5 CDBDRO COC(=O)c1cnc(NCC[C@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596427188 343311837 /nfs/dbraw/zinc/31/18/37/343311837.db2.gz AYRRTFFHVWLQIV-VIFPVBQESA-N 1 0 296.327 1.529 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(C)(C)C ZINC000090525106 342396336 /nfs/dbraw/zinc/39/63/36/342396336.db2.gz HLLCGSWUXNHNFR-UHFFFAOYSA-N 1 0 267.329 1.734 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCC[C@@H]2O)c1 ZINC000051993391 362169823 /nfs/dbraw/zinc/16/98/23/362169823.db2.gz AVFXBGRIQYLYBW-OLZOCXBDSA-N 1 0 250.298 1.988 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000192789126 282256989 /nfs/dbraw/zinc/25/69/89/282256989.db2.gz ONPGDSVSTYJOEO-NSHDSACASA-N 1 0 264.329 1.707 20 5 CDBDRO Cc1nn(C)c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000301722975 282272543 /nfs/dbraw/zinc/27/25/43/282272543.db2.gz RXWNYEIDPBRKND-RYUDHWBXSA-N 1 0 293.371 1.557 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000597925730 343663350 /nfs/dbraw/zinc/66/33/50/343663350.db2.gz QLTNPELHSCWZRL-VIFPVBQESA-N 1 0 281.312 1.790 20 5 CDBDRO CNc1c(C(=O)NCC[C@@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000597993661 343683657 /nfs/dbraw/zinc/68/36/57/343683657.db2.gz VCIXVWOJDNQOIU-SNVBAGLBSA-N 1 0 294.355 1.707 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc(CC)c2[N+](=O)[O-])C1 ZINC000598341408 343770467 /nfs/dbraw/zinc/77/04/67/343770467.db2.gz AYUOUOSSZJLZQN-SECBINFHSA-N 1 0 295.343 1.094 20 5 CDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000598342212 343771228 /nfs/dbraw/zinc/77/12/28/343771228.db2.gz KKIVWYAEFVXFFO-JTQLQIEISA-N 1 0 295.314 1.948 20 5 CDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000598667792 343855341 /nfs/dbraw/zinc/85/53/41/343855341.db2.gz KJGMMLHYJXVKQL-YGRLFVJLSA-N 1 0 275.308 1.548 20 5 CDBDRO CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000598573486 343833415 /nfs/dbraw/zinc/83/34/15/343833415.db2.gz JZFSIPJODLKCCR-ZDUSSCGKSA-N 1 0 277.324 1.665 20 5 CDBDRO Cc1cccc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c1[N+](=O)[O-] ZINC000598668448 343871074 /nfs/dbraw/zinc/87/10/74/343871074.db2.gz SVBXVBWSBVSVMD-ABAIWWIYSA-N 1 0 289.335 1.857 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598916305 343920138 /nfs/dbraw/zinc/92/01/38/343920138.db2.gz XJOXGPSMGZSVSV-ZDUSSCGKSA-N 1 0 296.302 1.937 20 5 CDBDRO Cc1ccnc(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000599083310 343957595 /nfs/dbraw/zinc/95/75/95/343957595.db2.gz HSRPNMDASPSTAK-IAZYJMLFSA-N 1 0 262.313 1.294 20 5 CDBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC[C@@H](O)C2)c(Cl)c1 ZINC000599175665 343965520 /nfs/dbraw/zinc/96/55/20/343965520.db2.gz GZMKMATWGAUOMP-SNVBAGLBSA-N 1 0 285.731 1.727 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000599587434 344093998 /nfs/dbraw/zinc/09/39/98/344093998.db2.gz LMTDUJFNYAMDRU-JTQLQIEISA-N 1 0 294.311 1.013 20 5 CDBDRO CC[NH2+][C@@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000602438545 344417299 /nfs/dbraw/zinc/41/72/99/344417299.db2.gz CVFCFZYWUZFNCG-VIFPVBQESA-N 1 0 251.286 1.209 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000602597417 344503084 /nfs/dbraw/zinc/50/30/84/344503084.db2.gz CMTPHDLTVNNIJI-GXSJLCMTSA-N 1 0 263.297 1.085 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000154674373 529984867 /nfs/dbraw/zinc/98/48/67/529984867.db2.gz WEDANQVPIMDLDH-SSDOTTSWSA-N 1 0 271.342 1.550 20 5 CDBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C)CCO1 ZINC000602577632 344473720 /nfs/dbraw/zinc/47/37/20/344473720.db2.gz UTHLQOPRDFDPTH-WFASDCNBSA-N 1 0 293.367 1.446 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000602594919 344502054 /nfs/dbraw/zinc/50/20/54/344502054.db2.gz SLQNDPWJDYMTSL-GHMZBOCLSA-N 1 0 277.324 1.570 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCF)CC2)cn1 ZINC000602645375 344514217 /nfs/dbraw/zinc/51/42/17/344514217.db2.gz IPWSTFIMNTXSRP-UHFFFAOYSA-N 1 0 268.292 1.518 20 5 CDBDRO CO[C@H](C)[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000536858479 282347046 /nfs/dbraw/zinc/34/70/46/282347046.db2.gz OCLSFETWNMEMHD-WDEREUQCSA-N 1 0 268.313 1.987 20 5 CDBDRO CC[C@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000602864185 344637498 /nfs/dbraw/zinc/63/74/98/344637498.db2.gz NDWRGFXUYIFNEL-STQMWFEESA-N 1 0 296.371 1.989 20 5 CDBDRO C[NH2+][C@@H](C)c1cn(Cc2ccc([N+](=O)[O-])cc2OC)nn1 ZINC000603244822 344750250 /nfs/dbraw/zinc/75/02/50/344750250.db2.gz VMTRPVFPPWALCE-VIFPVBQESA-N 1 0 291.311 1.524 20 5 CDBDRO C[C@H]1C[N@H+](C)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000343784127 362520669 /nfs/dbraw/zinc/52/06/69/362520669.db2.gz QAOOFNGDODBSRX-JTQLQIEISA-N 1 0 267.304 1.870 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCN(CCCO)C2)cs1 ZINC000295109281 199349905 /nfs/dbraw/zinc/34/99/05/199349905.db2.gz LLFMHMVRKZNRMF-GFCCVEGCSA-N 1 0 299.396 1.593 20 5 CDBDRO C[N@H+](CCOCCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000265819782 362608062 /nfs/dbraw/zinc/60/80/62/362608062.db2.gz RTZYGQMGOAHQQY-UHFFFAOYSA-N 1 0 254.286 1.036 20 5 CDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000129321278 362649964 /nfs/dbraw/zinc/64/99/64/362649964.db2.gz LCYAPIWBBHCGMJ-VXGBXAGGSA-N 1 0 250.298 1.844 20 5 CDBDRO CC[C@H](C[NH+]1CCCC1)Nc1c([N+](=O)[O-])ncn1C ZINC000609839879 346005525 /nfs/dbraw/zinc/00/55/25/346005525.db2.gz FWLOQJYKQQEGOL-SNVBAGLBSA-N 1 0 267.333 1.615 20 5 CDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)CO ZINC000609894844 346037137 /nfs/dbraw/zinc/03/71/37/346037137.db2.gz FDWZWISWZXPQPO-LBPRGKRZSA-N 1 0 298.339 1.037 20 5 CDBDRO Cn1ncnc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000088572097 346070928 /nfs/dbraw/zinc/07/09/28/346070928.db2.gz ZCBUQWKBJCKRGV-UHFFFAOYSA-N 1 0 261.285 1.056 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000295146440 199371741 /nfs/dbraw/zinc/37/17/41/199371741.db2.gz CEMKPYLBECHHRN-SECBINFHSA-N 1 0 277.280 1.808 20 5 CDBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000086468424 362710783 /nfs/dbraw/zinc/71/07/83/362710783.db2.gz QSOZXJRBMRYWFC-UWVGGRQHSA-N 1 0 278.312 1.809 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000086467349 362711089 /nfs/dbraw/zinc/71/10/89/362711089.db2.gz GNWJOFFDEWVEEU-UWVGGRQHSA-N 1 0 263.297 1.417 20 5 CDBDRO Cc1noc(C)c1[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000611409053 346778598 /nfs/dbraw/zinc/77/85/98/346778598.db2.gz HMDYCWQIQSCXEC-MRVPVSSYSA-N 1 0 279.300 1.747 20 5 CDBDRO CN1CCC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000611509113 346800031 /nfs/dbraw/zinc/80/00/31/346800031.db2.gz JKGPWVZSIUUEFP-ZDUSSCGKSA-N 1 0 277.324 1.348 20 5 CDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000273308605 192107921 /nfs/dbraw/zinc/10/79/21/192107921.db2.gz IFMGZWGBZJDNRI-NWDGAFQWSA-N 1 0 296.323 1.055 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000086467343 179297259 /nfs/dbraw/zinc/29/72/59/179297259.db2.gz RRCWQZQUYJLTDO-ZJUUUORDSA-N 1 0 263.297 1.417 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000614712679 348200499 /nfs/dbraw/zinc/20/04/99/348200499.db2.gz QXANGCZTUNYMPA-ZIAGYGMSSA-N 1 0 291.351 1.736 20 5 CDBDRO COC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000036722104 362869545 /nfs/dbraw/zinc/86/95/45/362869545.db2.gz HJANGGARJOOEHW-SECBINFHSA-N 1 0 254.286 1.728 20 5 CDBDRO C[C@]1(CNC(=O)c2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000128889500 187396841 /nfs/dbraw/zinc/39/68/41/187396841.db2.gz AHCHDWZIPCCPOW-AWEZNQCLSA-N 1 0 277.324 1.714 20 5 CDBDRO CC[N@H+](CCCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273397689 192138123 /nfs/dbraw/zinc/13/81/23/192138123.db2.gz VVTDPPHXVUJBET-GFCCVEGCSA-N 1 0 298.339 1.039 20 5 CDBDRO CC[NH+]1CCC(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000014523615 348520798 /nfs/dbraw/zinc/52/07/98/348520798.db2.gz CTDRXWKYQOCENN-UHFFFAOYSA-N 1 0 292.339 1.391 20 5 CDBDRO CCCNC(=O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293701989 362932063 /nfs/dbraw/zinc/93/20/63/362932063.db2.gz LKCHXSGJMDATSX-VIFPVBQESA-N 1 0 280.328 1.354 20 5 CDBDRO CC[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000061745166 348910529 /nfs/dbraw/zinc/91/05/29/348910529.db2.gz DMVBUHBCPJROOO-UHFFFAOYSA-N 1 0 279.340 1.741 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000066958259 349007608 /nfs/dbraw/zinc/00/76/08/349007608.db2.gz YROBZNGVWIINEP-UHFFFAOYSA-N 1 0 251.286 1.276 20 5 CDBDRO Cc1nc(NC[C@@H](C)C[NH+](C)C)ncc1[N+](=O)[O-] ZINC000295644657 199601460 /nfs/dbraw/zinc/60/14/60/199601460.db2.gz FIFNEBMBXUKWHV-MRVPVSSYSA-N 1 0 253.306 1.303 20 5 CDBDRO CC1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000111620690 349230244 /nfs/dbraw/zinc/23/02/44/349230244.db2.gz PZZJCPSSVYGCOO-GFCCVEGCSA-N 1 0 282.344 1.322 20 5 CDBDRO O=[N+]([O-])c1cc2ccccc2nc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000616055141 349271967 /nfs/dbraw/zinc/27/19/67/349271967.db2.gz FPDGFMMKUUUOMH-VXGBXAGGSA-N 1 0 284.319 1.799 20 5 CDBDRO Cc1cccc(C(=O)N2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC000036753426 362944836 /nfs/dbraw/zinc/94/48/36/362944836.db2.gz FMGDUOHKPGSMKC-UHFFFAOYSA-N 1 0 263.297 1.467 20 5 CDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[NH3+] ZINC000159982018 362947042 /nfs/dbraw/zinc/94/70/42/362947042.db2.gz SZASKCSZJCSZKZ-SECBINFHSA-N 1 0 297.380 1.929 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000311663760 350705840 /nfs/dbraw/zinc/70/58/40/350705840.db2.gz OHGNNLPBQOEFQO-VIFPVBQESA-N 1 0 265.317 1.326 20 5 CDBDRO COc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000154895564 351346535 /nfs/dbraw/zinc/34/65/35/351346535.db2.gz WUYCDVLYFJLPFL-LLVKDONJSA-N 1 0 293.323 1.301 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000156140322 351452048 /nfs/dbraw/zinc/45/20/48/351452048.db2.gz RACJXCOUTQZRKG-UWVGGRQHSA-N 1 0 299.352 1.095 20 5 CDBDRO NC(=O)c1ccc(C[NH+]2CCC(CF)CC2)c([N+](=O)[O-])c1 ZINC000295158344 199378145 /nfs/dbraw/zinc/37/81/45/199378145.db2.gz OJMHDGVWPJCAFG-UHFFFAOYSA-N 1 0 295.314 1.875 20 5 CDBDRO C[NH+]1CCN(CCNc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000122588639 187039744 /nfs/dbraw/zinc/03/97/44/187039744.db2.gz WQOWYXBNYIZQHP-UHFFFAOYSA-N 1 0 298.774 1.908 20 5 CDBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])cc1 ZINC000271652149 191259840 /nfs/dbraw/zinc/25/98/40/191259840.db2.gz SFHJRRVXKQBNBB-ZDUSSCGKSA-N 1 0 292.339 1.347 20 5 CDBDRO C[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000292239666 198213953 /nfs/dbraw/zinc/21/39/53/198213953.db2.gz CXNWOFJKASJTHU-NSHDSACASA-N 1 0 279.340 1.451 20 5 CDBDRO C[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000151240685 187953777 /nfs/dbraw/zinc/95/37/77/187953777.db2.gz JYXBFZTUPGNKIF-UHFFFAOYSA-N 1 0 292.339 1.144 20 5 CDBDRO COc1cc(C(=O)NC[C@@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000156726947 188278092 /nfs/dbraw/zinc/27/80/92/188278092.db2.gz LPCOWEOWCYRHKZ-SNVBAGLBSA-N 1 0 281.312 1.317 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000157846051 188342615 /nfs/dbraw/zinc/34/26/15/188342615.db2.gz HUSSMXYPBUDEFI-MRVPVSSYSA-N 1 0 289.295 1.034 20 5 CDBDRO COC1(C)CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000271690659 191279183 /nfs/dbraw/zinc/27/91/83/191279183.db2.gz FGXYNAFLGLOZAF-UHFFFAOYSA-N 1 0 268.317 1.292 20 5 CDBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000265225692 363252276 /nfs/dbraw/zinc/25/22/76/363252276.db2.gz OFSXHUPKSCPIIO-MNOVXSKESA-N 1 0 293.323 1.297 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000293048776 198508981 /nfs/dbraw/zinc/50/89/81/198508981.db2.gz LJRVHYAJYQRKCC-LLVKDONJSA-N 1 0 279.340 1.991 20 5 CDBDRO CC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000570113160 363365144 /nfs/dbraw/zinc/36/51/44/363365144.db2.gz QIKMFKQCIYAIRR-UHFFFAOYSA-N 1 0 294.355 1.395 20 5 CDBDRO O=[N+]([O-])c1ccc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000112839628 366159307 /nfs/dbraw/zinc/15/93/07/366159307.db2.gz IFQSMYHTDFJCBU-CABCVRRESA-N 1 0 291.351 1.548 20 5 CDBDRO Cc1nn(C)c(N2CCC[C@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000365426425 363376529 /nfs/dbraw/zinc/37/65/29/363376529.db2.gz HLRACYKSOJVBBA-NSHDSACASA-N 1 0 281.360 1.557 20 5 CDBDRO CC[C@H](NC(=O)[C@@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000237026390 363379503 /nfs/dbraw/zinc/37/95/03/363379503.db2.gz SMCWNWSZRDKJDD-STQMWFEESA-N 1 0 293.323 1.151 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)c1 ZINC000411988209 363396417 /nfs/dbraw/zinc/39/64/17/363396417.db2.gz GQNAZLBJJHRUQI-JSGCOSHPSA-N 1 0 280.324 1.472 20 5 CDBDRO COC[C@@H](O)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000304253177 355948630 /nfs/dbraw/zinc/94/86/30/355948630.db2.gz YKTYIZCEAZZMFZ-LBPRGKRZSA-N 1 0 282.340 1.815 20 5 CDBDRO CN(c1ncc([N+](=O)[O-])c(N)n1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286203038 356234059 /nfs/dbraw/zinc/23/40/59/356234059.db2.gz BBTGCYZUDBWUPS-ULKQDVFKSA-N 1 0 292.343 1.028 20 5 CDBDRO C[NH+](C)Cc1ccnc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000132317529 356263493 /nfs/dbraw/zinc/26/34/93/356263493.db2.gz FCHRQOMEMJFCIU-UHFFFAOYSA-N 1 0 290.283 1.027 20 5 CDBDRO COC[C@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])OC ZINC000358478437 356266267 /nfs/dbraw/zinc/26/62/67/356266267.db2.gz CBFJHXSNKLHEAL-VGVVRCBHSA-N 1 0 280.324 1.859 20 5 CDBDRO COc1ccc(C[NH2+]C[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000134695740 356378870 /nfs/dbraw/zinc/37/88/70/356378870.db2.gz RWMBIUSDFQCBMZ-GFCCVEGCSA-N 1 0 268.313 1.710 20 5 CDBDRO CC[C@@H](CCO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000134986514 356916337 /nfs/dbraw/zinc/91/63/37/356916337.db2.gz SIPGLAQKZXSNEV-NSHDSACASA-N 1 0 268.313 1.854 20 5 CDBDRO CC(C)[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(N)=O ZINC000046054766 357133865 /nfs/dbraw/zinc/13/38/65/357133865.db2.gz PNNDLJMRARDBCX-UHFFFAOYSA-N 1 0 281.312 1.169 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](CC(C)(C)O)CC1 ZINC000070980277 357178681 /nfs/dbraw/zinc/17/86/81/357178681.db2.gz ZYAHZIGQFFUGOH-UHFFFAOYSA-N 1 0 294.355 1.191 20 5 CDBDRO C[C@H](O)CC[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182249038 357425432 /nfs/dbraw/zinc/42/54/32/357425432.db2.gz BPDWVVPHNSXPMY-RYUDHWBXSA-N 1 0 298.339 1.037 20 5 CDBDRO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCOCCO ZINC000282877359 357479479 /nfs/dbraw/zinc/47/94/79/357479479.db2.gz YJWUNYAPWNISBG-GQCTYLIASA-N 1 0 280.324 1.549 20 5 CDBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000185621408 357561228 /nfs/dbraw/zinc/56/12/28/357561228.db2.gz YPAMSRNTKQFGPX-AAEUAGOBSA-N 1 0 279.340 1.877 20 5 CDBDRO CC(C)Oc1nc(N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000566416109 357664806 /nfs/dbraw/zinc/66/48/06/357664806.db2.gz MWFHFOQHSXPLDX-UHFFFAOYSA-N 1 0 266.301 1.187 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)cc1 ZINC000360767342 357684555 /nfs/dbraw/zinc/68/45/55/357684555.db2.gz UJPQHKQSMQXYBZ-STQMWFEESA-N 1 0 280.324 1.329 20 5 CDBDRO [NH3+]C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000135210888 357770190 /nfs/dbraw/zinc/77/01/90/357770190.db2.gz BLXWQLJSVMVSOH-UHFFFAOYSA-N 1 0 263.297 1.087 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[NH+]1CCC1 ZINC000361075124 357792700 /nfs/dbraw/zinc/79/27/00/357792700.db2.gz SELSYVLXXRVYGP-UHFFFAOYSA-N 1 0 253.306 1.237 20 5 CDBDRO Cc1cc(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000135245498 357809945 /nfs/dbraw/zinc/80/99/45/357809945.db2.gz MUOHIGLNZCCYIL-GXFFZTMASA-N 1 0 293.323 1.091 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000408100485 358014197 /nfs/dbraw/zinc/01/41/97/358014197.db2.gz SIPFVLXFCQBBEX-LLVKDONJSA-N 1 0 279.344 1.393 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000165858816 358168548 /nfs/dbraw/zinc/16/85/48/358168548.db2.gz SBDGTGNCZVEHGH-UHFFFAOYSA-N 1 0 269.276 1.463 20 5 CDBDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000361362261 358170029 /nfs/dbraw/zinc/17/00/29/358170029.db2.gz QOYZZXVDKISEMR-ZDUSSCGKSA-N 1 0 293.323 1.644 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000165897535 358238461 /nfs/dbraw/zinc/23/84/61/358238461.db2.gz LEJFACYPTRQXIZ-SECBINFHSA-N 1 0 255.249 1.201 20 5 CDBDRO C[C@H](CNc1cc(N)ccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000193406842 358292448 /nfs/dbraw/zinc/29/24/48/358292448.db2.gz OISHBNVHHZDSIP-LLVKDONJSA-N 1 0 293.371 1.225 20 5 CDBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000193566697 358303353 /nfs/dbraw/zinc/30/33/53/358303353.db2.gz JFQSYFIOGOAKBG-BXKDBHETSA-N 1 0 263.297 1.209 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000193588592 358306142 /nfs/dbraw/zinc/30/61/42/358306142.db2.gz GUXKPZZPOJSDLQ-GZMMTYOYSA-N 1 0 278.312 1.047 20 5 CDBDRO Cc1cnc(N[C@H]2CCC[N@H+](CCCO)C2)c([N+](=O)[O-])c1 ZINC000294842986 199208650 /nfs/dbraw/zinc/20/86/50/199208650.db2.gz ADAWZRZWXLWOAP-LBPRGKRZSA-N 1 0 294.355 1.557 20 5 CDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408228230 358450642 /nfs/dbraw/zinc/45/06/42/358450642.db2.gz WKYMWYHPDWTEKD-SKDRFNHKSA-N 1 0 280.328 1.335 20 5 CDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnnn1C ZINC000287432911 358586259 /nfs/dbraw/zinc/58/62/59/358586259.db2.gz SZNGVPZFKXYADW-LLVKDONJSA-N 1 0 289.339 1.834 20 5 CDBDRO C[C@@H]1C[C@@H](C)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000341581588 358666381 /nfs/dbraw/zinc/66/63/81/358666381.db2.gz HDDNINNHMZTCOS-GHMZBOCLSA-N 1 0 265.313 1.487 20 5 CDBDRO CCCN(CCn1ccc([N+](=O)[O-])n1)CC(=O)OCC ZINC000176219090 358741388 /nfs/dbraw/zinc/74/13/88/358741388.db2.gz KNKJDLUEFHCLLS-UHFFFAOYSA-N 1 0 284.316 1.066 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186716362 358817784 /nfs/dbraw/zinc/81/77/84/358817784.db2.gz LRIMCXVAYQSSCG-GXFFZTMASA-N 1 0 277.324 1.631 20 5 CDBDRO O=[N+]([O-])c1cccc(CNC[C@H](O)C[NH+]2CCCC2)c1 ZINC000051634360 358949298 /nfs/dbraw/zinc/94/92/98/358949298.db2.gz UXRAOCCISTXRMC-AWEZNQCLSA-N 1 0 279.340 1.141 20 5 CDBDRO COCC(COC)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000388467182 358990464 /nfs/dbraw/zinc/99/04/64/358990464.db2.gz KCQUQOQSHPWGHN-UHFFFAOYSA-N 1 0 284.312 1.354 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000261859108 359070570 /nfs/dbraw/zinc/07/05/70/359070570.db2.gz QZZGFVPCMHLWFU-SSDOTTSWSA-N 1 0 256.693 1.441 20 5 CDBDRO Cc1nc(N2CCc3ccccc3[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000570211438 359292418 /nfs/dbraw/zinc/29/24/18/359292418.db2.gz DPEGZVUTLRAKMH-CYBMUJFWSA-N 1 0 299.334 1.756 20 5 CDBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nncn1C ZINC000050418878 359452760 /nfs/dbraw/zinc/45/27/60/359452760.db2.gz DZWSJZFRRHFHEZ-SNVBAGLBSA-N 1 0 275.312 1.617 20 5 CDBDRO CC(C)[C@](C)([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000297674415 200258771 /nfs/dbraw/zinc/25/87/71/200258771.db2.gz OUOKOKZRAPHRSN-JSGCOSHPSA-N 1 0 295.339 1.118 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000342737907 360054989 /nfs/dbraw/zinc/05/49/89/360054989.db2.gz SECOFYNPEDLXBB-JTQLQIEISA-N 1 0 293.323 1.219 20 5 CDBDRO O=C(NCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])s1 ZINC000054265777 360066529 /nfs/dbraw/zinc/06/65/29/360066529.db2.gz FYNVZAZWXWFLMX-UHFFFAOYSA-N 1 0 255.299 1.138 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235449403 360121010 /nfs/dbraw/zinc/12/10/10/360121010.db2.gz JYPMFWCQHACUOH-VXNVDRBHSA-N 1 0 269.326 1.527 20 5 CDBDRO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H](C[NH3+])C1 ZINC000235658474 360233424 /nfs/dbraw/zinc/23/34/24/360233424.db2.gz SOSQDORLZQMOPB-IUCAKERBSA-N 1 0 266.301 1.122 20 5 CDBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000487466383 360422542 /nfs/dbraw/zinc/42/25/42/360422542.db2.gz XOBQCVBONGJMBI-ZJUUUORDSA-N 1 0 280.328 1.526 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000178970892 189158551 /nfs/dbraw/zinc/15/85/51/189158551.db2.gz GSTVGTBMGVRFRA-JTQLQIEISA-N 1 0 293.323 1.285 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000572524463 361097560 /nfs/dbraw/zinc/09/75/60/361097560.db2.gz QIRPJBWYSOJVIU-ZMLRMANQSA-N 1 0 277.324 1.818 20 5 CDBDRO Cn1c(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000345616677 361265629 /nfs/dbraw/zinc/26/56/29/361265629.db2.gz HCMDIMYFRAWLLW-SNVBAGLBSA-N 1 0 292.339 1.147 20 5 CDBDRO C[C@H]1C[C@@H](C(=O)NCc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235693758 361456633 /nfs/dbraw/zinc/45/66/33/361456633.db2.gz CIVKUWFCSBXXFH-QWRGUYRKSA-N 1 0 277.324 1.599 20 5 CDBDRO Nc1c(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000262605880 361535984 /nfs/dbraw/zinc/53/59/84/361535984.db2.gz BRDVDOVONJQVKB-WPRPVWTQSA-N 1 0 278.312 1.034 20 5 CDBDRO Cc1c(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000580692145 363938142 /nfs/dbraw/zinc/93/81/42/363938142.db2.gz YJUIJZJTYUICTK-TZMCWYRMSA-N 1 0 280.324 1.078 20 5 CDBDRO O=[N+]([O-])c1c(Nc2c[nH+]c[nH]2)nc2sccn21 ZINC000581065238 363963233 /nfs/dbraw/zinc/96/32/33/363963233.db2.gz HLSFBZHVEQVWHV-UHFFFAOYSA-N 1 0 250.243 1.771 20 5 CDBDRO CCC[NH2+][C@H](C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000581069008 363964879 /nfs/dbraw/zinc/96/48/79/363964879.db2.gz MDOMWYDQGFFEGU-LLVKDONJSA-N 1 0 295.339 1.478 20 5 CDBDRO C[C@H](C[S@](C)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000168166578 363969378 /nfs/dbraw/zinc/96/93/78/363969378.db2.gz APWHNVFIKLJWMZ-VVVCHXIZSA-N 1 0 256.327 1.451 20 5 CDBDRO Cc1c(C(=O)N[C@@H]2CC[NH2+]C2(C)C)cccc1[N+](=O)[O-] ZINC000307914818 239402153 /nfs/dbraw/zinc/40/21/53/239402153.db2.gz PKOXOFHUWQJKAW-GFCCVEGCSA-N 1 0 277.324 1.774 20 5 CDBDRO Cn1c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000345853413 364043027 /nfs/dbraw/zinc/04/30/27/364043027.db2.gz OCEZZRUJEDZKBQ-WDEREUQCSA-N 1 0 292.339 1.290 20 5 CDBDRO COc1ccc([C@@H](C[NH3+])Cn2cnc([N+](=O)[O-])c2)cc1 ZINC000518766766 364104249 /nfs/dbraw/zinc/10/42/49/364104249.db2.gz RALJGWREAGGZJY-NSHDSACASA-N 1 0 276.296 1.542 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000088147708 364261200 /nfs/dbraw/zinc/26/12/00/364261200.db2.gz LYKANSLHJNBWAX-SNVBAGLBSA-N 1 0 263.297 1.385 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000148791538 364324484 /nfs/dbraw/zinc/32/44/84/364324484.db2.gz GAEDKKONNISCPU-QMMMGPOBSA-N 1 0 285.731 1.834 20 5 CDBDRO CCN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000268167952 364379908 /nfs/dbraw/zinc/37/99/08/364379908.db2.gz KIDOSIJKJUHZNU-ZDUSSCGKSA-N 1 0 298.364 1.604 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000162786940 364657937 /nfs/dbraw/zinc/65/79/37/364657937.db2.gz WFZGHRMFXVRUHL-LLVKDONJSA-N 1 0 295.339 1.607 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000384726743 365409442 /nfs/dbraw/zinc/40/94/42/365409442.db2.gz NLVJIHTTZPIKDX-FRRIYSQJSA-N 1 0 289.335 1.804 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC([NH+](C)C)C2)c1 ZINC000270730380 366926076 /nfs/dbraw/zinc/92/60/76/366926076.db2.gz FAXZYNFNXOLSGY-UHFFFAOYSA-N 1 0 263.297 1.289 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000414786324 241386037 /nfs/dbraw/zinc/38/60/37/241386037.db2.gz KGKKIHGHSFORSO-YTRREALPSA-N 1 0 273.336 1.902 20 5 CDBDRO Cc1nc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ncc1[N+](=O)[O-] ZINC000297361145 367132090 /nfs/dbraw/zinc/13/20/90/367132090.db2.gz CBPFJQADDWBGFM-NEPJUHHUSA-N 1 0 291.355 1.614 20 5 CDBDRO C[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[NH+](C)C ZINC000272241656 367566819 /nfs/dbraw/zinc/56/68/19/367566819.db2.gz KWYRDVPVDRBCFT-QMMMGPOBSA-N 1 0 295.295 1.003 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417128318 242329910 /nfs/dbraw/zinc/32/99/10/242329910.db2.gz IBFCPKSETFNOCB-ZJUUUORDSA-N 1 0 280.328 1.550 20 5 CDBDRO COc1ccc(CNC(=O)NC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000417195737 242353982 /nfs/dbraw/zinc/35/39/82/242353982.db2.gz SAOGGYJLAUPLIT-UHFFFAOYSA-N 1 0 296.327 1.140 20 5 CDBDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000272623016 367783409 /nfs/dbraw/zinc/78/34/09/367783409.db2.gz VABKVNGNVWJDCY-NXEZZACHSA-N 1 0 268.288 1.937 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000170734324 368854075 /nfs/dbraw/zinc/85/40/75/368854075.db2.gz NUBWRWPKNUSTGF-SECBINFHSA-N 1 0 296.327 1.156 20 5 CDBDRO COCC1(C)CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000330653404 203082037 /nfs/dbraw/zinc/08/20/37/203082037.db2.gz NWTDGRMUOURIRQ-UHFFFAOYSA-N 1 0 282.344 1.540 20 5 CDBDRO COc1ccc(OCCN(C)C2CC([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420329972 244092831 /nfs/dbraw/zinc/09/28/31/244092831.db2.gz KNPUOMCRGPXOBJ-UHFFFAOYSA-N 1 0 295.339 1.404 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH2+][C@@H](C)C1 ZINC000420339090 244109627 /nfs/dbraw/zinc/10/96/27/244109627.db2.gz QJDGNDVSNPHGNP-NSHDSACASA-N 1 0 292.339 1.135 20 5 CDBDRO O=[N+]([O-])c1cccc(OCCN2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000420343729 244117458 /nfs/dbraw/zinc/11/74/58/244117458.db2.gz RCMITLQHODGNKT-RISCZKNCSA-N 1 0 277.324 1.267 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CC[NH3+] ZINC000420377057 244170312 /nfs/dbraw/zinc/17/03/12/244170312.db2.gz KNTBSXGHLFUEPE-UHFFFAOYSA-N 1 0 280.328 1.122 20 5 CDBDRO [NH3+]C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000420385301 244184838 /nfs/dbraw/zinc/18/48/38/244184838.db2.gz HJKAGLIOZYARKF-CQSZACIVSA-N 1 0 295.339 1.023 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000266198896 370986495 /nfs/dbraw/zinc/98/64/95/370986495.db2.gz NJSSMBICMGIHGT-LBPRGKRZSA-N 1 0 291.351 1.927 20 5 CDBDRO CCC(CC)(C[NH3+])NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135230513 369651919 /nfs/dbraw/zinc/65/19/19/369651919.db2.gz WEMXYPTVBZGVAN-UHFFFAOYSA-N 1 0 279.340 1.771 20 5 CDBDRO CON1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000421394249 244687645 /nfs/dbraw/zinc/68/76/45/244687645.db2.gz FSZGSLWCWIITTF-UHFFFAOYSA-N 1 0 271.342 1.772 20 5 CDBDRO CC(C)[C@@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668460 369783653 /nfs/dbraw/zinc/78/36/53/369783653.db2.gz KRDOWGYUBNAGFF-LLVKDONJSA-N 1 0 251.286 1.194 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000129901921 370129080 /nfs/dbraw/zinc/12/90/80/370129080.db2.gz ZYPKLRFGCFPGTK-MNOVXSKESA-N 1 0 277.324 1.726 20 5 CDBDRO O=[N+]([O-])c1ccccc1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414816974 370324069 /nfs/dbraw/zinc/32/40/69/370324069.db2.gz REPNEBYNXRFVAU-FUNVUKJBSA-N 1 0 261.325 1.967 20 5 CDBDRO COC(=O)Cc1ccc(NCCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000295512877 370443872 /nfs/dbraw/zinc/44/38/72/370443872.db2.gz RNHDXDKKHYTXQC-UHFFFAOYSA-N 1 0 295.339 1.674 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000351865647 370446712 /nfs/dbraw/zinc/44/67/12/370446712.db2.gz ODEPWRMEOUVQMW-ZJUUUORDSA-N 1 0 290.323 1.905 20 5 CDBDRO CC[C@H](CO)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000295591200 370505478 /nfs/dbraw/zinc/50/54/78/370505478.db2.gz BMGWYDAADBANCD-LLVKDONJSA-N 1 0 295.339 1.260 20 5 CDBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090321381 296159975 /nfs/dbraw/zinc/15/99/75/296159975.db2.gz XAZBOWMSWHRXSD-DTORHVGOSA-N 1 0 295.726 1.540 20 5 CDBDRO CC[C@@H](CO)[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000295642618 370538592 /nfs/dbraw/zinc/53/85/92/370538592.db2.gz GRFUTPPEJIWUEM-NSHDSACASA-N 1 0 298.339 1.685 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@H]1[NH3+] ZINC000422711427 245168573 /nfs/dbraw/zinc/16/85/73/245168573.db2.gz GYIHPRGYJMHUIC-VXGBXAGGSA-N 1 0 265.313 1.573 20 5 CDBDRO Cc1c(CC(=O)NC2CCC([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000422766974 245229503 /nfs/dbraw/zinc/22/95/03/245229503.db2.gz QMUFOJUMPQOVIB-UHFFFAOYSA-N 1 0 291.351 1.832 20 5 CDBDRO COC[C@]1(CNCc2ccc([N+](=O)[O-])cc2F)CCC[NH2+]1 ZINC000414944357 371137694 /nfs/dbraw/zinc/13/76/94/371137694.db2.gz NSMVXKQWTYVUCV-CQSZACIVSA-N 1 0 297.330 1.592 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000422809443 245284252 /nfs/dbraw/zinc/28/42/52/245284252.db2.gz PSUDCVUATIRYLT-LBPRGKRZSA-N 1 0 291.351 1.514 20 5 CDBDRO C[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000331732904 204106492 /nfs/dbraw/zinc/10/64/92/204106492.db2.gz SIIRYYAZABYMHI-LLVKDONJSA-N 1 0 289.335 1.826 20 5 CDBDRO COc1cc(C(=O)NCC(C)(C)[NH3+])cc([N+](=O)[O-])c1C ZINC000422886401 245371716 /nfs/dbraw/zinc/37/17/16/245371716.db2.gz WREFSAKDEWJLRU-UHFFFAOYSA-N 1 0 281.312 1.379 20 5 CDBDRO C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000269657687 373370099 /nfs/dbraw/zinc/37/00/99/373370099.db2.gz IUIVKPJGXWBSIO-ZWNOBZJWSA-N 1 0 266.297 1.349 20 5 CDBDRO COc1cc(C(=O)NC[C@@H]([NH3+])C2CC2)cc([N+](=O)[O-])c1C ZINC000423476547 245840742 /nfs/dbraw/zinc/84/07/42/245840742.db2.gz KKQBOFSNIBOQJJ-LLVKDONJSA-N 1 0 293.323 1.379 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC3CC3)CC2)n1 ZINC000368475154 373842544 /nfs/dbraw/zinc/84/25/44/373842544.db2.gz QYZQPNZWFAENLO-UHFFFAOYSA-N 1 0 250.302 1.838 20 5 CDBDRO Cc1c(CC(=O)N[C@H]2C[NH2+]CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000423575829 245917252 /nfs/dbraw/zinc/91/72/52/245917252.db2.gz YZVWXIKAAMMYGP-MFKMUULPSA-N 1 0 291.351 1.560 20 5 CDBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000423718084 246000517 /nfs/dbraw/zinc/00/05/17/246000517.db2.gz BSWWKVAHDJFHNP-MNOVXSKESA-N 1 0 293.323 1.930 20 5 CDBDRO COc1ccc(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000423717215 246000679 /nfs/dbraw/zinc/00/06/79/246000679.db2.gz ACVGAFLUMGFRHA-IINYFYTJSA-N 1 0 291.307 1.542 20 5 CDBDRO [NH3+]C1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000423726946 246005414 /nfs/dbraw/zinc/00/54/14/246005414.db2.gz QJFCFDJAJTUFLR-UHFFFAOYSA-N 1 0 289.295 1.103 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418230262 374257227 /nfs/dbraw/zinc/25/72/27/374257227.db2.gz JAENBSWHTJDKPU-ZJUUUORDSA-N 1 0 280.328 1.692 20 5 CDBDRO CC1CC[NH+](CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000298933319 374264823 /nfs/dbraw/zinc/26/48/23/374264823.db2.gz CJGBOXMNPAHNQD-UHFFFAOYSA-N 1 0 280.328 1.385 20 5 CDBDRO NC(=O)C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000368578604 374318073 /nfs/dbraw/zinc/31/80/73/374318073.db2.gz OPBCLPUZFODUTA-SNVBAGLBSA-N 1 0 263.297 1.292 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000421748367 374329948 /nfs/dbraw/zinc/32/99/48/374329948.db2.gz LRNLBJQLJAAPHM-GFCCVEGCSA-N 1 0 291.351 1.893 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCO)CC2)c(F)c1 ZINC000301877713 374396145 /nfs/dbraw/zinc/39/61/45/374396145.db2.gz SWGZTFKOACSSOV-UHFFFAOYSA-N 1 0 283.303 1.285 20 5 CDBDRO CC[C@@H](NC[C@@H]1C[NH2+]CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423480670 374384835 /nfs/dbraw/zinc/38/48/35/374384835.db2.gz PMKACEYROOLHFQ-LSDHHAIUSA-N 1 0 292.383 1.539 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000081589272 374527707 /nfs/dbraw/zinc/52/77/07/374527707.db2.gz LODJMGJJGFJSOA-JTQLQIEISA-N 1 0 287.323 1.902 20 5 CDBDRO C[C@H]1CC(=O)NCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000378327868 374639290 /nfs/dbraw/zinc/63/92/90/374639290.db2.gz UIFJBHXKNWJWTB-NSHDSACASA-N 1 0 293.323 1.184 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)[C@@H]2CCCO2)cs1 ZINC000447919664 374723442 /nfs/dbraw/zinc/72/34/42/374723442.db2.gz FLCUOOQPQLXXLE-UWVGGRQHSA-N 1 0 272.326 1.286 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000277599334 374798270 /nfs/dbraw/zinc/79/82/70/374798270.db2.gz PTGOWWRITPRKPG-XTYWZOAOSA-N 1 0 289.335 1.722 20 5 CDBDRO C[NH2+]C(C)(C)CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347254362 374988244 /nfs/dbraw/zinc/98/82/44/374988244.db2.gz HDSBCCDQGYYYCZ-UHFFFAOYSA-N 1 0 284.291 1.853 20 5 CDBDRO O=C(NCCN1CC=CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000280291887 374991097 /nfs/dbraw/zinc/99/10/97/374991097.db2.gz RFIVGDIKMAWTSA-UHFFFAOYSA-N 1 0 293.298 1.726 20 5 CDBDRO COc1c(C(=O)N2CCC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000332236706 375018025 /nfs/dbraw/zinc/01/80/25/375018025.db2.gz RWDUOFKIDUVRAQ-UHFFFAOYSA-N 1 0 293.323 1.381 20 5 CDBDRO C[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](C)CO ZINC000282524232 375093451 /nfs/dbraw/zinc/09/34/51/375093451.db2.gz PTICZNOYCOVWNS-UWVGGRQHSA-N 1 0 286.303 1.298 20 5 CDBDRO CC[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000299473922 375174424 /nfs/dbraw/zinc/17/44/24/375174424.db2.gz BMACGRUJLHJNPY-UHFFFAOYSA-N 1 0 277.324 1.763 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cncn1C ZINC000350550350 375211344 /nfs/dbraw/zinc/21/13/44/375211344.db2.gz CSSHCAYWBFDQNL-UHFFFAOYSA-N 1 0 289.295 1.958 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000162240456 375299061 /nfs/dbraw/zinc/29/90/61/375299061.db2.gz AUBFDWBFCQAYNK-SFYZADRCSA-N 1 0 269.326 1.656 20 5 CDBDRO CN(CCC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000351543418 375306475 /nfs/dbraw/zinc/30/64/75/375306475.db2.gz LBPZJSOHKZWTQI-UHFFFAOYSA-N 1 0 294.355 1.491 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493447679 375454185 /nfs/dbraw/zinc/45/41/85/375454185.db2.gz GUPYICHPUFXKEJ-ONRRBMGISA-N 1 0 295.314 1.991 20 5 CDBDRO C[N@@H+]1CC[C@@H](Cn2cc(Cl)cc([N+](=O)[O-])c2=O)C1 ZINC000352897787 375549847 /nfs/dbraw/zinc/54/98/47/375549847.db2.gz AJGRUYOKSJVSHV-MRVPVSSYSA-N 1 0 271.704 1.362 20 5 CDBDRO COc1ccc(C[N@H+](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000051837932 375583332 /nfs/dbraw/zinc/58/33/32/375583332.db2.gz RAURWLNXSVDXMF-SECBINFHSA-N 1 0 254.286 1.416 20 5 CDBDRO C[C@H](CO)[N@@H+]1CCCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000343201540 375621326 /nfs/dbraw/zinc/62/13/26/375621326.db2.gz AEROGTBCMAWNIK-LLVKDONJSA-N 1 0 297.330 1.627 20 5 CDBDRO COc1cc(CN(C)C2C[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000357057896 375689849 /nfs/dbraw/zinc/68/98/49/375689849.db2.gz VFTXZKPTKWLHGW-UHFFFAOYSA-N 1 0 281.312 1.016 20 5 CDBDRO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC[N@@H+]1C ZINC000345012240 375714396 /nfs/dbraw/zinc/71/43/96/375714396.db2.gz PIKONXUCNVKZJA-RKDXNWHRSA-N 1 0 266.301 1.135 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000133581859 375802009 /nfs/dbraw/zinc/80/20/09/375802009.db2.gz DYGKSDNJVUKHRG-YPMHNXCESA-N 1 0 276.340 1.910 20 5 CDBDRO CCc1n[nH]c(C(=O)N2CC[N@H+](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000444273217 250114355 /nfs/dbraw/zinc/11/43/55/250114355.db2.gz ZUGGVQULBIVZGY-SECBINFHSA-N 1 0 295.343 1.047 20 5 CDBDRO CC(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[NH+](C)C ZINC000042587291 379613626 /nfs/dbraw/zinc/61/36/26/379613626.db2.gz FQTZZUQWGRKEIR-JTQLQIEISA-N 1 0 283.328 1.894 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC(=O)N1 ZINC000449294162 250785173 /nfs/dbraw/zinc/78/51/73/250785173.db2.gz XUIVBRZBTGQYSF-YPMHNXCESA-N 1 0 291.351 1.784 20 5 CDBDRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000288698408 197146772 /nfs/dbraw/zinc/14/67/72/197146772.db2.gz XZGBAEPCAILYCK-JTQLQIEISA-N 1 0 295.295 1.122 20 5 CDBDRO CC(C)O[C@H]1C[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000451492045 251732087 /nfs/dbraw/zinc/73/20/87/251732087.db2.gz FLCJOZMLWRAQMQ-RYUDHWBXSA-N 1 0 296.371 1.973 20 5 CDBDRO C[NH+](C)C1CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492346549 253201365 /nfs/dbraw/zinc/20/13/65/253201365.db2.gz UFOOAJNFXQSYKA-GQCTYLIASA-N 1 0 293.298 1.520 20 5 CDBDRO C[C@H](NC(=O)/C=C\C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000492385320 253208256 /nfs/dbraw/zinc/20/82/56/253208256.db2.gz IMXNDBRNDDHWCB-WDDYJBPVSA-N 1 0 277.324 1.890 20 5 CDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]1 ZINC000493044183 253354625 /nfs/dbraw/zinc/35/46/25/253354625.db2.gz GWFTVJCQPBJLGS-TXNVCOODSA-N 1 0 293.298 1.615 20 5 CDBDRO Cc1cc(N[C@H](CO)C[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000289174326 197253983 /nfs/dbraw/zinc/25/39/83/197253983.db2.gz RGVLDPOFPDAUMB-LBPRGKRZSA-N 1 0 294.355 1.557 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000375779170 285166503 /nfs/dbraw/zinc/16/65/03/285166503.db2.gz WNRFDFKNHIFUQQ-DGCLKSJQSA-N 1 0 292.339 1.025 20 5 CDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000288425992 197074636 /nfs/dbraw/zinc/07/46/36/197074636.db2.gz OALKQGLKFLHEKV-UWVGGRQHSA-N 1 0 293.327 1.017 20 5 CDBDRO CO[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000359042147 390209024 /nfs/dbraw/zinc/20/90/24/390209024.db2.gz KEHGOTMZDKDQBH-WDEREUQCSA-N 1 0 297.330 1.672 20 5 CDBDRO CN(C(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000071310008 390484471 /nfs/dbraw/zinc/48/44/71/390484471.db2.gz OPMHGMZLLDMNIG-SECBINFHSA-N 1 0 267.260 1.168 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000261603563 390656918 /nfs/dbraw/zinc/65/69/18/390656918.db2.gz CJHLVBLAMSYNJH-NEPJUHHUSA-N 1 0 289.335 1.585 20 5 CDBDRO C[C@H](O)CC[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000075777875 390680377 /nfs/dbraw/zinc/68/03/77/390680377.db2.gz JHXMENPSJAQIEZ-NSHDSACASA-N 1 0 268.313 1.676 20 5 CDBDRO C[NH2+]CCN(C)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000070304485 390942171 /nfs/dbraw/zinc/94/21/71/390942171.db2.gz OUXTYSHWZXZIBX-UHFFFAOYSA-N 1 0 260.297 1.799 20 5 CDBDRO Cc1nc(N2CC[N@@H+](C3CC3)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000520337568 391270737 /nfs/dbraw/zinc/27/07/37/391270737.db2.gz FITQIYSHXHHUAH-JTQLQIEISA-N 1 0 291.355 1.614 20 5 CDBDRO O=C(NCCC[C@H]1CCC[NH2+]1)Nc1ccncc1[N+](=O)[O-] ZINC000415377352 391376760 /nfs/dbraw/zinc/37/67/60/391376760.db2.gz ANWCEYKGGQQYAM-SNVBAGLBSA-N 1 0 293.327 1.065 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000415432477 391430861 /nfs/dbraw/zinc/43/08/61/391430861.db2.gz FSYWSAYYMYDJFT-VIFPVBQESA-N 1 0 296.327 1.580 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCOCCO ZINC000567915575 391547356 /nfs/dbraw/zinc/54/73/56/391547356.db2.gz XORKEJUBTXFGPF-GFCCVEGCSA-N 1 0 266.297 1.181 20 5 CDBDRO CC(C)(O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568107616 391585633 /nfs/dbraw/zinc/58/56/33/391585633.db2.gz SRYBDBWYPIMPGU-NSHDSACASA-N 1 0 250.298 1.943 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000189305435 129951032 /nfs/dbraw/zinc/95/10/32/129951032.db2.gz IMXCNIRWEKIWBF-KCJUWKMLSA-N 1 0 281.287 1.604 20 5 CDBDRO CC[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304346222 130087489 /nfs/dbraw/zinc/08/74/89/130087489.db2.gz QJDXIJPGNHCMEH-YPMHNXCESA-N 1 0 282.344 1.274 20 5 CDBDRO C[C@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000190812575 130150143 /nfs/dbraw/zinc/15/01/43/130150143.db2.gz DGPJPATXKGYXKS-QWRGUYRKSA-N 1 0 268.313 1.158 20 5 CDBDRO CC[C@]1(O)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000495243680 391907321 /nfs/dbraw/zinc/90/73/21/391907321.db2.gz LTSNISIHTRXUCY-AWEZNQCLSA-N 1 0 280.324 1.950 20 5 CDBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](O)[C@H]2C)c([N+](=O)[O-])c1 ZINC000590762303 391922681 /nfs/dbraw/zinc/92/26/81/391922681.db2.gz PWXDCFAQABQEIJ-ZWNOBZJWSA-N 1 0 296.323 1.437 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000416293979 391983044 /nfs/dbraw/zinc/98/30/44/391983044.db2.gz XAMLTNDACGMVHP-UHFFFAOYSA-N 1 0 269.326 1.480 20 5 CDBDRO CCc1ccc(C(=O)NCC2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000416306160 391985114 /nfs/dbraw/zinc/98/51/14/391985114.db2.gz YYTQRMKQTJGXGG-UHFFFAOYSA-N 1 0 291.351 1.981 20 5 CDBDRO CO[C@H]1C[NH+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC000488069556 392228947 /nfs/dbraw/zinc/22/89/47/392228947.db2.gz FGPQSTLUWIGLBS-KBPBESRZSA-N 1 0 296.323 1.319 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000238034152 131073923 /nfs/dbraw/zinc/07/39/23/131073923.db2.gz FRNYXKNXBBBMES-CYBMUJFWSA-N 1 0 277.324 1.477 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261754292 131167197 /nfs/dbraw/zinc/16/71/97/131167197.db2.gz NDECUKIQMYKOHW-AAEUAGOBSA-N 1 0 275.308 1.419 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000262416599 131219388 /nfs/dbraw/zinc/21/93/88/131219388.db2.gz REOIFMXPMNSUMU-UFBFGSQYSA-N 1 0 278.312 1.047 20 5 CDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC1CC[NH2+]CC1 ZINC000262518290 131228426 /nfs/dbraw/zinc/22/84/26/131228426.db2.gz UQHGOSLGGRJSEY-UHFFFAOYSA-N 1 0 295.364 1.555 20 5 CDBDRO O=C(COc1ccccc1[N+](=O)[O-])NCC[C@@H]1CC[NH2+]C1 ZINC000262601625 131238889 /nfs/dbraw/zinc/23/88/89/131238889.db2.gz XPCDCZPBOYGBEX-NSHDSACASA-N 1 0 293.323 1.089 20 5 CDBDRO C[C@@](C[NH3+])(NC(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000262635184 131244583 /nfs/dbraw/zinc/24/45/83/131244583.db2.gz PFCXVZLMVLLOQD-ZDUSSCGKSA-N 1 0 278.312 1.034 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000262777533 131260734 /nfs/dbraw/zinc/26/07/34/131260734.db2.gz LXDIAAWUNLJDOY-GXFFZTMASA-N 1 0 277.324 1.252 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000262786764 131261570 /nfs/dbraw/zinc/26/15/70/131261570.db2.gz MMJOEVBFHPMKSC-WDEREUQCSA-N 1 0 277.324 1.346 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000262827323 131265149 /nfs/dbraw/zinc/26/51/49/131265149.db2.gz PZTITRFTDHVFBG-WDEREUQCSA-N 1 0 292.339 1.121 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000262880722 131270043 /nfs/dbraw/zinc/27/00/43/131270043.db2.gz NJCOQCDMHKPLCH-UWVGGRQHSA-N 1 0 292.339 1.356 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000262979681 131277563 /nfs/dbraw/zinc/27/75/63/131277563.db2.gz YPBBZQYGKDYWCY-MNOVXSKESA-N 1 0 293.323 1.230 20 5 CDBDRO C[NH+](C)C1CN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000271754088 392614193 /nfs/dbraw/zinc/61/41/93/392614193.db2.gz WONBVCAREXGFDE-UHFFFAOYSA-N 1 0 272.308 1.893 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000267213449 131836694 /nfs/dbraw/zinc/83/66/94/131836694.db2.gz CAHMPQAVYXYYRB-UWVGGRQHSA-N 1 0 267.333 1.613 20 5 CDBDRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000419804396 392897611 /nfs/dbraw/zinc/89/76/11/392897611.db2.gz DALXGDFQPYVECV-CHWSQXEVSA-N 1 0 268.313 1.206 20 5 CDBDRO Cc1nc(NC[C@H]2[NH2+]CCc3ccccc32)ncc1[N+](=O)[O-] ZINC000420259126 392916374 /nfs/dbraw/zinc/91/63/74/392916374.db2.gz YKTOEFURCVXHQC-CYBMUJFWSA-N 1 0 299.334 1.414 20 5 CDBDRO CC1(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)COC1 ZINC000489042691 392871427 /nfs/dbraw/zinc/87/14/27/392871427.db2.gz PPILUUXFYOULOG-UHFFFAOYSA-N 1 0 280.328 1.465 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000423589327 392964044 /nfs/dbraw/zinc/96/40/44/392964044.db2.gz HEWMSXYLTKCLGP-WCQYABFASA-N 1 0 291.351 1.939 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000423612787 392965268 /nfs/dbraw/zinc/96/52/68/392965268.db2.gz UVPXOIVVFVTNAP-LLVKDONJSA-N 1 0 279.340 1.939 20 5 CDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCC[C@H]1CC[NH2+]C1 ZINC000215355871 392970939 /nfs/dbraw/zinc/97/09/39/392970939.db2.gz LTBWTQWQSRBDTM-DSYXLKISSA-N 1 0 289.335 1.724 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C[NH+](C)C)C1 ZINC000430197878 393090576 /nfs/dbraw/zinc/09/05/76/393090576.db2.gz WRAZBUOGYCNJJU-GFCCVEGCSA-N 1 0 293.367 1.987 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)C(C)C ZINC000430225953 393095649 /nfs/dbraw/zinc/09/56/49/393095649.db2.gz NHXWJYBFQHXSRT-UHFFFAOYSA-N 1 0 268.313 1.806 20 5 CDBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000081527262 393064591 /nfs/dbraw/zinc/06/45/91/393064591.db2.gz LKVLBWRSQHHVAC-JTQLQIEISA-N 1 0 295.339 1.417 20 5 CDBDRO CC(C)[N@H+](C)CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282359800 393175544 /nfs/dbraw/zinc/17/55/44/393175544.db2.gz BFUYJOOYPOPGDY-UHFFFAOYSA-N 1 0 293.367 1.936 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC(=O)N(C)C1 ZINC000449112806 393129964 /nfs/dbraw/zinc/12/99/64/393129964.db2.gz SUQXSYPDVHMRIV-JQWIXIFHSA-N 1 0 277.324 1.346 20 5 CDBDRO Cn1c(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000449638410 393137465 /nfs/dbraw/zinc/13/74/65/393137465.db2.gz KNOBFDFBUMVDOS-ZJUUUORDSA-N 1 0 280.328 1.181 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000216218970 393210152 /nfs/dbraw/zinc/21/01/52/393210152.db2.gz QQRMCBFEOMRFTA-VHSXEESVSA-N 1 0 250.302 1.472 20 5 CDBDRO COC1(CO)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000401727636 393215769 /nfs/dbraw/zinc/21/57/69/393215769.db2.gz RRXKNDJGMLVJNJ-UHFFFAOYSA-N 1 0 280.324 1.568 20 5 CDBDRO CC[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000493587151 393216000 /nfs/dbraw/zinc/21/60/00/393216000.db2.gz QHVDLGCMQHGYQN-GWJCSSMESA-N 1 0 289.335 1.818 20 5 CDBDRO CCOc1cccc(N2CC[C@H]([NH2+]C)C2)c1[N+](=O)[O-] ZINC000135058571 139884567 /nfs/dbraw/zinc/88/45/67/139884567.db2.gz ZBBFIWKGKOGBOY-JTQLQIEISA-N 1 0 265.313 1.792 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135242528 139885900 /nfs/dbraw/zinc/88/59/00/139885900.db2.gz LFFHQLHJTUEZHY-UHFFFAOYSA-N 1 0 283.303 1.981 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000216175985 140162121 /nfs/dbraw/zinc/16/21/21/140162121.db2.gz SWWPNAINXAKPCF-YUMQZZPRSA-N 1 0 281.341 1.478 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H](C)C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000228928142 140199298 /nfs/dbraw/zinc/19/92/98/140199298.db2.gz YEBQJBYWLNALHP-NSHDSACASA-N 1 0 279.340 1.906 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000232232957 140220685 /nfs/dbraw/zinc/22/06/85/140220685.db2.gz HPHVAFIYAXWABI-LLVKDONJSA-N 1 0 263.297 1.467 20 5 CDBDRO COc1cc(C[NH2+]CC2(O)CCC2)c([N+](=O)[O-])cc1OC ZINC000237131231 140252002 /nfs/dbraw/zinc/25/20/02/140252002.db2.gz JVZXEZTVYUQRTP-UHFFFAOYSA-N 1 0 296.323 1.617 20 5 CDBDRO CCc1nn(C)c(N2C[C@@H](C[NH3+])C[C@H]2C)c1[N+](=O)[O-] ZINC000250124682 140302241 /nfs/dbraw/zinc/30/22/41/140302241.db2.gz ANBDWCXUNOEGLF-RKDXNWHRSA-N 1 0 267.333 1.064 20 5 CDBDRO Cc1cc(N2CC[C@](C)(C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000261589286 140357862 /nfs/dbraw/zinc/35/78/62/140357862.db2.gz WFZZOPXIOKQNGA-GFCCVEGCSA-N 1 0 250.302 1.473 20 5 CDBDRO COC[C@@]1(CNc2ccc([N+](=O)[O-])c(C)n2)CCC[NH2+]1 ZINC000261703353 140378183 /nfs/dbraw/zinc/37/81/83/140378183.db2.gz IRNXDDUSXCLHKO-ZDUSSCGKSA-N 1 0 280.328 1.479 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@]1(COC)CCC[NH2+]1 ZINC000261736463 140382232 /nfs/dbraw/zinc/38/22/32/140382232.db2.gz RTFPXSSGPDIPRI-CYBMUJFWSA-N 1 0 297.359 1.300 20 5 CDBDRO Cc1c(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000261773601 140387874 /nfs/dbraw/zinc/38/78/74/140387874.db2.gz WERPXYBEBYBGRX-DGCLKSJQSA-N 1 0 289.335 1.727 20 5 CDBDRO CN(CC(C)(C)C[NH3+])c1nc2sccn2c1[N+](=O)[O-] ZINC000093874637 147071993 /nfs/dbraw/zinc/07/19/93/147071993.db2.gz PVWQDGVYVSADHK-UHFFFAOYSA-N 1 0 283.357 1.725 20 5 CDBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000343570806 152228695 /nfs/dbraw/zinc/22/86/95/152228695.db2.gz ABIYBALUCBWALB-LLVKDONJSA-N 1 0 294.355 1.538 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([NH3+])C1 ZINC000346068866 153041875 /nfs/dbraw/zinc/04/18/75/153041875.db2.gz JHSADBZIMRFFIS-LBPRGKRZSA-N 1 0 279.340 1.917 20 5 CDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000348967889 154017096 /nfs/dbraw/zinc/01/70/96/154017096.db2.gz WNRCFZSQLZYNRA-NSHDSACASA-N 1 0 280.328 1.335 20 5 CDBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O ZINC000352211506 155024507 /nfs/dbraw/zinc/02/45/07/155024507.db2.gz KRGZGTJFKYTMHY-LLVKDONJSA-N 1 0 295.339 1.626 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[C@H](CO)O2)cc1 ZINC000353714166 156033257 /nfs/dbraw/zinc/03/32/57/156033257.db2.gz WLOLDKFYQLSWCY-CHWSQXEVSA-N 1 0 266.297 1.224 20 5 CDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000354006724 156219893 /nfs/dbraw/zinc/21/98/93/156219893.db2.gz NKAVZAMPCJPMIY-VIFPVBQESA-N 1 0 266.301 1.089 20 5 CDBDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354072577 156253913 /nfs/dbraw/zinc/25/39/13/156253913.db2.gz JGXRNVHQKMWROJ-RDDDGLTNSA-N 1 0 291.311 1.205 20 5 CDBDRO Cc1ccc(CN2CCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000357958194 157846507 /nfs/dbraw/zinc/84/65/07/157846507.db2.gz AIFROEDGCDMXCC-LBPRGKRZSA-N 1 0 265.313 1.063 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000359025478 158102841 /nfs/dbraw/zinc/10/28/41/158102841.db2.gz DXNQQXMEQRFYBJ-UWVGGRQHSA-N 1 0 293.327 1.016 20 5 CDBDRO O=C(N[C@H]1C[C@H]1C1CC[NH2+]CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000361077846 158721022 /nfs/dbraw/zinc/72/10/22/158721022.db2.gz DBJWAWRYRHKRDP-QWRGUYRKSA-N 1 0 278.312 1.041 20 5 CDBDRO Cc1cccc(C(=O)N[C@H](C[NH3+])C2CC2)c1[N+](=O)[O-] ZINC000087383962 292427135 /nfs/dbraw/zinc/42/71/35/292427135.db2.gz FGXYBKOBAUFUKZ-LLVKDONJSA-N 1 0 263.297 1.370 20 5 CDBDRO Cc1c(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cccc1[N+](=O)[O-] ZINC000372906662 160157102 /nfs/dbraw/zinc/15/71/02/160157102.db2.gz CWYDBSGKUKRNBM-AAEUAGOBSA-N 1 0 289.335 1.727 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOCC3(CCCC3)C2)c1 ZINC000373459971 160202842 /nfs/dbraw/zinc/20/28/42/160202842.db2.gz HCQALAFGBBOIDZ-UHFFFAOYSA-N 1 0 294.355 1.684 20 5 CDBDRO CN1CCO[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000285016079 196178566 /nfs/dbraw/zinc/17/85/66/196178566.db2.gz ZKOWXRBNKOVXMW-CABCVRRESA-N 1 0 291.351 1.500 20 5 CDBDRO C[NH2+]CCCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000036279892 172570811 /nfs/dbraw/zinc/57/08/11/172570811.db2.gz KPTSMJZGFDNALO-UHFFFAOYSA-N 1 0 251.286 1.243 20 5 CDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)[NH+](C)C ZINC000038108649 174122337 /nfs/dbraw/zinc/12/23/37/174122337.db2.gz KZJOKXOTBWVSRY-MRVPVSSYSA-N 1 0 269.276 1.414 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCn2ccnc2)cc1 ZINC000039170046 174165258 /nfs/dbraw/zinc/16/52/58/174165258.db2.gz VXIXMSAVAQKNSF-UHFFFAOYSA-N 1 0 260.297 1.971 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000040594911 174348064 /nfs/dbraw/zinc/34/80/64/174348064.db2.gz PBEFCSUYLVPORU-CYBMUJFWSA-N 1 0 291.351 1.595 20 5 CDBDRO CC(C)[NH2+]CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676276 174373907 /nfs/dbraw/zinc/37/39/07/174373907.db2.gz YXLLEHDVFZZZNJ-UHFFFAOYSA-N 1 0 265.313 1.252 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CC[NH2+]1 ZINC000286219298 196531680 /nfs/dbraw/zinc/53/16/80/196531680.db2.gz TUPOWZMFQRCVLB-IUCAKERBSA-N 1 0 278.312 1.047 20 5 CDBDRO O=[N+]([O-])c1nn(C[C@H]2CCC[NH2+]C2)cc1Br ZINC000043472181 175053712 /nfs/dbraw/zinc/05/37/12/175053712.db2.gz BROCHDJCAMWULA-ZETCQYMHSA-N 1 0 289.133 1.553 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[NH2+]CCO3)n2)cc1 ZINC000043705262 175099129 /nfs/dbraw/zinc/09/91/29/175099129.db2.gz JSKJKZILNDWOLT-JTQLQIEISA-N 1 0 276.252 1.306 20 5 CDBDRO O=C(NCC1CC[NH2+]CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000044503844 175186738 /nfs/dbraw/zinc/18/67/38/175186738.db2.gz ZRXBQJZKERSAOM-UHFFFAOYSA-N 1 0 278.312 1.716 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000044537638 175200153 /nfs/dbraw/zinc/20/01/53/175200153.db2.gz LJTRKRGDSJFOPI-JTQLQIEISA-N 1 0 250.302 1.744 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000044541497 175201406 /nfs/dbraw/zinc/20/14/06/175201406.db2.gz AFTWRAMUNXZGAE-XEHSLEBBSA-N 1 0 289.335 1.948 20 5 CDBDRO NC(=O)c1ccc(CN2CCCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000044559038 175203475 /nfs/dbraw/zinc/20/34/75/175203475.db2.gz QVYFANOHMKAMSN-GFCCVEGCSA-N 1 0 292.339 1.007 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1F ZINC000044725682 175238065 /nfs/dbraw/zinc/23/80/65/175238065.db2.gz MNNKLDKRKICDGC-SECBINFHSA-N 1 0 293.298 1.700 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000070446771 175938508 /nfs/dbraw/zinc/93/85/08/175938508.db2.gz QGELNBBJOPVVOO-SNVBAGLBSA-N 1 0 269.276 1.447 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000071396954 176150149 /nfs/dbraw/zinc/15/01/49/176150149.db2.gz PDLDMCAIAZSXQQ-SNVBAGLBSA-N 1 0 263.297 1.385 20 5 CDBDRO NC(=O)C1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103464844 270235212 /nfs/dbraw/zinc/23/52/12/270235212.db2.gz ZUNHWSQFQBPAKR-UHFFFAOYSA-N 1 0 281.287 1.431 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000314827188 270326115 /nfs/dbraw/zinc/32/61/15/270326115.db2.gz RQLZDINVWGZWGU-QZDDGCDVSA-N 1 0 289.335 1.805 20 5 CDBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000395043402 270340024 /nfs/dbraw/zinc/34/00/24/270340024.db2.gz UCCZRYQLAKWDEH-UHFFFAOYSA-N 1 0 267.260 1.296 20 5 CDBDRO C[NH2+]CCN(C)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000415295465 273960896 /nfs/dbraw/zinc/96/08/96/273960896.db2.gz LNINADYPZRFSJA-UHFFFAOYSA-N 1 0 280.328 1.895 20 5 CDBDRO COC[C@H](CO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000289585210 274049213 /nfs/dbraw/zinc/04/92/13/274049213.db2.gz ARUDLUWFSFYQFW-HZMBPMFUSA-N 1 0 294.351 1.914 20 5 CDBDRO C[C@@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)[C@H](C[NH3+])C1 ZINC000420264352 274304761 /nfs/dbraw/zinc/30/47/61/274304761.db2.gz UXBQMMVHZVGSAB-ZJUUUORDSA-N 1 0 290.327 1.201 20 5 CDBDRO C[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000450797965 274365623 /nfs/dbraw/zinc/36/56/23/274365623.db2.gz YGNOPMAAQQTUSZ-TXEJJXNPSA-N 1 0 279.340 1.486 20 5 CDBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[N@@H+](C2CC2)C1 ZINC000294905022 274369683 /nfs/dbraw/zinc/36/96/83/274369683.db2.gz IPSGAAXPGWYBHE-JTQLQIEISA-N 1 0 277.328 1.305 20 5 CDBDRO O=[N+]([O-])c1cc2c(ncnc2N2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000261629039 275034333 /nfs/dbraw/zinc/03/43/33/275034333.db2.gz BEELKSFZHQZYRJ-OCAPTIKFSA-N 1 0 291.336 1.255 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCC3)CC2)nc1 ZINC000264915492 275036272 /nfs/dbraw/zinc/03/62/72/275036272.db2.gz GNSUZUXXOCPXAF-UHFFFAOYSA-N 1 0 262.313 1.664 20 5 CDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000261546415 275526521 /nfs/dbraw/zinc/52/65/21/275526521.db2.gz VSGJPLDJOBWOMQ-MRVPVSSYSA-N 1 0 255.274 1.291 20 5 CDBDRO CC(C)c1n[nH]c(C(=O)NC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000269425176 276041427 /nfs/dbraw/zinc/04/14/27/276041427.db2.gz YGLWJQJOJLRPKW-UHFFFAOYSA-N 1 0 295.343 1.265 20 5 CDBDRO CNC(=O)[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000049238488 277007611 /nfs/dbraw/zinc/00/76/11/277007611.db2.gz IVHXMMSJHZDYQR-ZDUSSCGKSA-N 1 0 277.324 1.348 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)[C@H]2C1 ZINC000272557624 277144108 /nfs/dbraw/zinc/14/41/08/277144108.db2.gz TZYRPQQLIUYGFE-ZJUUUORDSA-N 1 0 279.296 1.354 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3ccc(N)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000287969958 277199114 /nfs/dbraw/zinc/19/91/14/277199114.db2.gz ZQBVUYONSOCILP-AOOOYVTPSA-N 1 0 262.313 1.175 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000367374929 277280585 /nfs/dbraw/zinc/28/05/85/277280585.db2.gz NSHAUTYIMBHHCU-WPRPVWTQSA-N 1 0 299.277 1.506 20 5 CDBDRO C[NH2+][C@H]1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)C1 ZINC000227860854 277301135 /nfs/dbraw/zinc/30/11/35/277301135.db2.gz BBGZDPZVVVLSMI-QMMMGPOBSA-N 1 0 269.276 1.541 20 5 CDBDRO COc1cccc(N2C[C@@H](C[NH3+])C[C@@H]2C)c1[N+](=O)[O-] ZINC000135060355 277456194 /nfs/dbraw/zinc/45/61/94/277456194.db2.gz OCNAZJLJOHDSLS-VHSXEESVSA-N 1 0 265.313 1.777 20 5 CDBDRO COCCN(C)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449113440 277505322 /nfs/dbraw/zinc/50/53/22/277505322.db2.gz WARRJMSOGHRXGI-ZDUSSCGKSA-N 1 0 295.383 1.694 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C[NH3+])C1 ZINC000235316088 277747910 /nfs/dbraw/zinc/74/79/10/277747910.db2.gz ZHEXXMZDHQQYGK-MWLCHTKSSA-N 1 0 295.314 1.933 20 5 CDBDRO CC(C)c1ccc(C(=O)N2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000422770920 278026979 /nfs/dbraw/zinc/02/69/79/278026979.db2.gz QSJQWJIZABGGCW-NSHDSACASA-N 1 0 277.324 1.891 20 5 CDBDRO C[C@@H]([NH3+])CCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000178635548 278307865 /nfs/dbraw/zinc/30/78/65/278307865.db2.gz UAVBICRRPMQCIA-ZJUUUORDSA-N 1 0 297.380 1.929 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H]1C[NH3+] ZINC000261994523 278477190 /nfs/dbraw/zinc/47/71/90/278477190.db2.gz NGJVPUJFCBOHSY-NOZJJQNGSA-N 1 0 292.339 1.376 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000216204703 278864840 /nfs/dbraw/zinc/86/48/40/278864840.db2.gz XJZJWXMDNNLPRD-VHSXEESVSA-N 1 0 250.302 1.472 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000110795276 279318902 /nfs/dbraw/zinc/31/89/02/279318902.db2.gz YFTBTOIYEFMZQU-NSHDSACASA-N 1 0 277.324 1.633 20 5 CDBDRO C[C@H]([NH2+]CC(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000157971330 279459540 /nfs/dbraw/zinc/45/95/40/279459540.db2.gz QHDRSLLFNSIPLV-NSHDSACASA-N 1 0 277.324 1.868 20 5 CDBDRO NC(=O)[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000135167258 279805460 /nfs/dbraw/zinc/80/54/60/279805460.db2.gz BIUDNEWKFYZINE-HNNXBMFYSA-N 1 0 299.330 1.954 20 5 CDBDRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000361099675 279935497 /nfs/dbraw/zinc/93/54/97/279935497.db2.gz WOQQKXPWZUXELW-QWHCGFSZSA-N 1 0 289.335 1.713 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000217596821 280089288 /nfs/dbraw/zinc/08/92/88/280089288.db2.gz RZBOLIJYXMRRLC-DEBLGDTFSA-N 1 0 289.335 1.948 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261598654 280372762 /nfs/dbraw/zinc/37/27/62/280372762.db2.gz PERPGEGOIJGCFX-ZJUUUORDSA-N 1 0 265.288 1.780 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)C[NH3+] ZINC000423596645 280397849 /nfs/dbraw/zinc/39/78/49/280397849.db2.gz SEIQOAKPXNWXMT-VIFPVBQESA-N 1 0 265.313 1.597 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000266275232 280664708 /nfs/dbraw/zinc/66/47/08/280664708.db2.gz SBBCFSGLVLRIQR-GFCCVEGCSA-N 1 0 274.324 1.749 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](C(C)C)CC2)n1 ZINC000121038526 281011778 /nfs/dbraw/zinc/01/17/78/281011778.db2.gz MGNGSESUYCOVSV-UHFFFAOYSA-N 1 0 264.329 1.829 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000278564315 281022583 /nfs/dbraw/zinc/02/25/83/281022583.db2.gz BQMCJEQCIVPUAQ-XDTLVQLUSA-N 1 0 266.297 1.002 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC1CCOCC1 ZINC000156169109 289259082 /nfs/dbraw/zinc/25/90/82/289259082.db2.gz DVXFHRMJMDDXHW-UHFFFAOYSA-N 1 0 268.317 1.150 20 5 CDBDRO C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000336817612 290038702 /nfs/dbraw/zinc/03/87/02/290038702.db2.gz QZOYASITDQUHMH-ONGXEEELSA-N 1 0 263.297 1.476 20 5 CDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CC[N@H+](C)C1 ZINC000557361468 290342051 /nfs/dbraw/zinc/34/20/51/290342051.db2.gz PXXMUVDINFJYSN-ZDUSSCGKSA-N 1 0 291.351 1.547 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])CC(C)C ZINC000562976300 293231027 /nfs/dbraw/zinc/23/10/27/293231027.db2.gz SXKXXKHTHZIVKV-JTQLQIEISA-N 1 0 295.339 1.707 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(=O)n1CC[C@H]1CC[NH2+]C1 ZINC000568991926 294136470 /nfs/dbraw/zinc/13/64/70/294136470.db2.gz ZJFLJEFOYOSKMR-SNVBAGLBSA-N 1 0 251.286 1.065 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000408197365 303020234 /nfs/dbraw/zinc/02/02/34/303020234.db2.gz IDOPEFFABMTWNK-GFCCVEGCSA-N 1 0 293.371 1.783 20 5 CDBDRO O=C1NCC[C@@H]1CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000563349247 316260214 /nfs/dbraw/zinc/26/02/14/316260214.db2.gz FSDAVTVXHDIAFE-GFCCVEGCSA-N 1 0 289.335 1.479 20 5 CDBDRO CC(C)Oc1nc(N(C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000577408113 317327080 /nfs/dbraw/zinc/32/70/80/317327080.db2.gz HPZIPFZUJQORKE-UHFFFAOYSA-N 1 0 254.290 1.172 20 5 CDBDRO CC[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)OC ZINC000578741799 324009338 /nfs/dbraw/zinc/00/93/38/324009338.db2.gz FRVWNYCXRIGRKP-CHWSQXEVSA-N 1 0 298.339 1.349 20 5 CDBDRO C[C@]1(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[NH2+]C1 ZINC000578758293 324016148 /nfs/dbraw/zinc/01/61/48/324016148.db2.gz HUUPPRBCFHVVTA-AWEZNQCLSA-N 1 0 275.308 1.484 20 5 CDBDRO CC(=O)N1CC([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000578786871 324027483 /nfs/dbraw/zinc/02/74/83/324027483.db2.gz XCYXNJUNHRCBIY-UHFFFAOYSA-N 1 0 263.297 1.224 20 5 CDBDRO Cc1c(NC(=O)N(C)[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000580049362 324351422 /nfs/dbraw/zinc/35/14/22/324351422.db2.gz LONRUPYPRJTDEP-JTQLQIEISA-N 1 0 278.312 1.729 20 5 CDBDRO CSC[C@H](O)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000581007128 324622216 /nfs/dbraw/zinc/62/22/16/324622216.db2.gz GWJNTHWZMPJMDZ-LLVKDONJSA-N 1 0 286.353 1.287 20 5 CDBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000582762487 325038054 /nfs/dbraw/zinc/03/80/54/325038054.db2.gz JYTJWLRCFMAXCC-UWVGGRQHSA-N 1 0 295.343 1.168 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000584114615 327041452 /nfs/dbraw/zinc/04/14/52/327041452.db2.gz HWIRSKICFCNUKW-NXEZZACHSA-N 1 0 281.312 1.216 20 5 CDBDRO CC(C)[N@H+](CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000085862754 519648922 /nfs/dbraw/zinc/64/89/22/519648922.db2.gz SODYHGMFEWQZNF-UHFFFAOYSA-N 1 0 268.313 1.676 20 5 CDBDRO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810236 521944700 /nfs/dbraw/zinc/94/47/00/521944700.db2.gz LXRLTPBMAIVMPE-GWCFXTLKSA-N 1 0 279.340 1.927 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000151008669 522494919 /nfs/dbraw/zinc/49/49/19/522494919.db2.gz AEXDWWQDLCXOIE-JTQLQIEISA-N 1 0 293.323 1.427 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000184581354 522812554 /nfs/dbraw/zinc/81/25/54/522812554.db2.gz WKOCEFVZIREESJ-UHFFFAOYSA-N 1 0 293.327 1.548 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC1([NH3+])CCC1 ZINC000234207601 523668974 /nfs/dbraw/zinc/66/89/74/523668974.db2.gz AKNFMTAFJXAGFG-UHFFFAOYSA-N 1 0 253.306 1.413 20 5 CDBDRO COc1ccc(CN2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000054374295 524035008 /nfs/dbraw/zinc/03/50/08/524035008.db2.gz BVFAYTKUJUPGDO-SNVBAGLBSA-N 1 0 265.313 1.397 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000050709906 524162309 /nfs/dbraw/zinc/16/23/09/524162309.db2.gz KQFBOTBRCACRIE-SECBINFHSA-N 1 0 280.328 1.247 20 5 CDBDRO C[C@H]1C[C@H](C)C[NH+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157328623 524885026 /nfs/dbraw/zinc/88/50/26/524885026.db2.gz OHRGVFDGQAWENL-QWRGUYRKSA-N 1 0 252.318 1.769 20 5 CDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000050162319 525314187 /nfs/dbraw/zinc/31/41/87/525314187.db2.gz PCDIYDQCIZZNKL-RKDXNWHRSA-N 1 0 266.301 1.041 20 5 CDBDRO Cc1c(NC(=O)[C@]2(F)CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000150690282 525859050 /nfs/dbraw/zinc/85/90/50/525859050.db2.gz LNVQWMQWXKKVQN-LBPRGKRZSA-N 1 0 267.260 1.543 20 5 CDBDRO [NH3+]CCCCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000070201425 527177737 /nfs/dbraw/zinc/17/77/37/527177737.db2.gz GLIVRMUXILSWNC-UHFFFAOYSA-N 1 0 262.269 1.926 20 5 CDBDRO Nc1c(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000157322026 527427915 /nfs/dbraw/zinc/42/79/15/527427915.db2.gz FSZOJMZPJGSFHT-SECBINFHSA-N 1 0 290.323 1.144 20 5 CDBDRO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000152852133 528138732 /nfs/dbraw/zinc/13/87/32/528138732.db2.gz QZDDYECHKCOXTM-UHFFFAOYSA-N 1 0 294.355 1.708 20 5 CDBDRO CCCN1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000421348509 534977622 /nfs/dbraw/zinc/97/76/22/534977622.db2.gz HMGROSFFIGYCHX-CYBMUJFWSA-N 1 0 291.351 1.943 20 5 CDBDRO CC[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000268843829 535414696 /nfs/dbraw/zinc/41/46/96/535414696.db2.gz NNGKTERTYNQWQR-LBPRGKRZSA-N 1 0 279.340 1.594 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000422769778 536359915 /nfs/dbraw/zinc/35/99/15/536359915.db2.gz POAUGXPRLCHNSG-SNVBAGLBSA-N 1 0 293.323 1.427 20 5 CDBDRO COc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000262846636 536760654 /nfs/dbraw/zinc/76/06/54/536760654.db2.gz RUHXSXRLBQAOML-GXSJLCMTSA-N 1 0 293.323 1.331 20 5 CDBDRO C[NH+](C)CC1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000738076174 574557869 /nfs/dbraw/zinc/55/78/69/574557869.db2.gz JPSIFYWBCXRWBS-UHFFFAOYSA-N 1 0 267.333 1.022 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(O)c(F)c2)c1 ZINC000893133911 617402641 /nfs/dbraw/zinc/40/26/41/617402641.db2.gz HFUHLFONAOCCQX-UHFFFAOYSA-N 1 0 280.259 1.426 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cccc(=O)[nH]1 ZINC000933399599 617416296 /nfs/dbraw/zinc/41/62/96/617416296.db2.gz VGHFRFNFPLMQQF-UHFFFAOYSA-N 1 0 277.284 1.024 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NCCc1ccccc1[N+](=O)[O-] ZINC000925513806 617420169 /nfs/dbraw/zinc/42/01/69/617420169.db2.gz MBZJFFFZLRVYHY-ZDUSSCGKSA-N 1 0 263.341 1.867 20 5 CDBDRO CC(C)C[NH+]1CCC(Nc2c([N+](=O)[O-])cnn2C)CC1 ZINC000891677314 617534127 /nfs/dbraw/zinc/53/41/27/617534127.db2.gz SAKVSVOCDGXFSH-UHFFFAOYSA-N 1 0 281.360 1.861 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000931044387 617588854 /nfs/dbraw/zinc/58/88/54/617588854.db2.gz AQMWDDWTLJHTBH-CHWSQXEVSA-N 1 0 293.367 1.998 20 5 CDBDRO C[N@@H+]1C[C@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@@H]2C1 ZINC000893937852 618198210 /nfs/dbraw/zinc/19/82/10/618198210.db2.gz AYNCUYBVEDYLPM-NOZJJQNGSA-N 1 0 287.323 1.611 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000841103103 618683343 /nfs/dbraw/zinc/68/33/43/618683343.db2.gz LKGXRFCAZHFLBL-ZETCQYMHSA-N 1 0 284.703 1.813 20 5 CDBDRO CC1(C)OC[C@H](CN(CC[NH3+])c2ccccc2[N+](=O)[O-])O1 ZINC000894447641 618890316 /nfs/dbraw/zinc/89/03/16/618890316.db2.gz CXWVKJLHCYYQJU-NSHDSACASA-N 1 0 295.339 1.511 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000894476609 618909586 /nfs/dbraw/zinc/90/95/86/618909586.db2.gz QTGWUFKDTGKFCE-VIFPVBQESA-N 1 0 267.333 1.613 20 5 CDBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)[C@H]1C[N@H+](C)CCN1C ZINC000895250048 619490910 /nfs/dbraw/zinc/49/09/10/619490910.db2.gz ZVCSEJRMWFXSEU-BXKDBHETSA-N 1 0 297.334 1.175 20 5 CDBDRO CN1CC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000903316370 625970386 /nfs/dbraw/zinc/97/03/86/625970386.db2.gz OJLUTPBVJRMYJF-ZWNOBZJWSA-N 1 0 261.325 1.876 20 5 CDBDRO COc1ccc(O[C@H](C)C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905136633 626650355 /nfs/dbraw/zinc/65/03/55/626650355.db2.gz LYPDOGRHSZLING-SNVBAGLBSA-N 1 0 254.286 1.329 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000905210989 626693311 /nfs/dbraw/zinc/69/33/11/626693311.db2.gz AZAJFPICDPXTOF-UHFFFAOYSA-N 1 0 264.325 1.683 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000905244446 626701039 /nfs/dbraw/zinc/70/10/39/626701039.db2.gz YARYSYTVGUPHBP-CYBMUJFWSA-N 1 0 263.341 1.769 20 5 CDBDRO COc1cc(F)cc(C[C@@H](C)[NH2+]CC[N+](=O)[O-])c1 ZINC000905282078 626736087 /nfs/dbraw/zinc/73/60/87/626736087.db2.gz YCTMJHRPJDRWIE-SECBINFHSA-N 1 0 256.277 1.632 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1C=CCC1 ZINC000905418689 626805965 /nfs/dbraw/zinc/80/59/65/626805965.db2.gz SBKCPSVQTJACFA-STQMWFEESA-N 1 0 292.335 1.890 20 5 CDBDRO C[C@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000914704611 631549040 /nfs/dbraw/zinc/54/90/40/631549040.db2.gz CLSWHGHRNXGORM-SECBINFHSA-N 1 0 282.369 1.831 20 5 CDBDRO CC[C@@H](CO)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000916570678 632017475 /nfs/dbraw/zinc/01/74/75/632017475.db2.gz MYINBULRJQIRJM-JTQLQIEISA-N 1 0 281.312 1.202 20 5 CDBDRO O=[N+]([O-])c1cccc(-n2ccnc2[C@H]2CCC[NH2+]C2)n1 ZINC001167055461 1158454061 /nfs/dbraw/zinc/45/40/61/1158454061.db2.gz HWAVAYKIXCGJIM-JTQLQIEISA-N 1 0 273.296 1.643 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]C(C)(C)CN)c([N+](=O)[O-])c1 ZINC001170297692 1162327969 /nfs/dbraw/zinc/32/79/69/1162327969.db2.gz QSQUTVFNKUUUJE-JTQLQIEISA-N 1 0 281.356 1.861 20 5 CDBDRO CCOc1nc(N2CCC[C@H]([NH3+])[C@H]2C)ccc1[N+](=O)[O-] ZINC001157745582 1162387793 /nfs/dbraw/zinc/38/77/93/1162387793.db2.gz NZLJSZLOZZALAS-ZJUUUORDSA-N 1 0 280.328 1.705 20 5 CDBDRO CCOc1cnc(N[C@H](C)[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC001170564266 1162927333 /nfs/dbraw/zinc/92/73/33/1162927333.db2.gz OTQWSQWJIJHLSP-SKDRFNHKSA-N 1 0 296.327 1.177 20 5 CDBDRO [NH3+]Cc1cnnn1-c1ncc([N+](=O)[O-])c2ccccc21 ZINC001158422555 1162978771 /nfs/dbraw/zinc/97/87/71/1162978771.db2.gz BBGYYEQXDGYRFK-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO [NH3+]CCc1cnn(-c2ccc3nc[nH]c3c2[N+](=O)[O-])c1 ZINC001168952021 1161995327 /nfs/dbraw/zinc/99/53/27/1161995327.db2.gz BVEROEDDNLIIDG-UHFFFAOYSA-N 1 0 272.268 1.158 20 5 CDBDRO CCN(C(=O)c1csc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000110939463 1166537174 /nfs/dbraw/zinc/53/71/74/1166537174.db2.gz RREUJQDKFOKIAA-JTQLQIEISA-N 1 0 283.353 1.870 20 5 CDBDRO Cc1ccnc(N2CC([NH2+]C3CCOCC3)C2)c1[N+](=O)[O-] ZINC001307209011 1167449823 /nfs/dbraw/zinc/44/98/23/1167449823.db2.gz QZDNSFLXIKNIPE-UHFFFAOYSA-N 1 0 292.339 1.255 20 5 CDBDRO CC[C@]1(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000062904035 1169091465 /nfs/dbraw/zinc/09/14/65/1169091465.db2.gz WUOIYQJSQDMTHH-AWEZNQCLSA-N 1 0 277.324 1.601 20 5 CDBDRO Cc1ccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)c(N)c1[N+](=O)[O-] ZINC001574156786 1170899033 /nfs/dbraw/zinc/89/90/33/1170899033.db2.gz QYBNWHQFYYAZMZ-OCAPTIKFSA-N 1 0 264.285 1.161 20 5 CDBDRO C[C@@H]1CC[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C[NH2+]1 ZINC001576659261 1171481633 /nfs/dbraw/zinc/48/16/33/1171481633.db2.gz ICHNBQCWCOMTAG-MWLCHTKSSA-N 1 0 295.314 1.533 20 5 CDBDRO CC[C@@H]([NH3+])CNc1c2cc(OC)ccc2ncc1[N+](=O)[O-] ZINC001577124742 1171604351 /nfs/dbraw/zinc/60/43/51/1171604351.db2.gz OHEKMAZKBBJNNB-SECBINFHSA-N 1 0 290.323 1.723 20 5 CDBDRO C[C@H]1[NH2+]CC[C@@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001579500858 1172201184 /nfs/dbraw/zinc/20/11/84/1172201184.db2.gz QDWJCAIACQIXMG-MNOVXSKESA-N 1 0 292.339 1.263 20 5 CDBDRO Cc1cnc(OC[C@H]2C[C@]3(CC[NH2+]C3)CO2)c([N+](=O)[O-])c1 ZINC001579822647 1172273124 /nfs/dbraw/zinc/27/31/24/1172273124.db2.gz LWQSELAQZZQPGO-RISCZKNCSA-N 1 0 293.323 1.446 20 5 CDBDRO [NH3+]C/C=C\CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001580280827 1172392148 /nfs/dbraw/zinc/39/21/48/1172392148.db2.gz RVBBNJOERSCHFW-UPHRSURJSA-N 1 0 262.269 1.341 20 5 CDBDRO Nc1nc(N2CCCC[C@@]23CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001580469028 1172446513 /nfs/dbraw/zinc/44/65/13/1172446513.db2.gz PTIZYQDQPNOBKO-ZDUSSCGKSA-N 1 0 292.343 1.080 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1C[C@H]2CC[NH2+]C[C@H]21 ZINC001580544239 1172465477 /nfs/dbraw/zinc/46/54/77/1172465477.db2.gz GFUDXRCSKXUUBR-TZMCWYRMSA-N 1 0 289.335 1.348 20 5 CDBDRO O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)[C@H]1CC12C[NH2+]C2 ZINC001580712451 1172521337 /nfs/dbraw/zinc/52/13/37/1172521337.db2.gz YHVDPHQHSAYPSD-MRVPVSSYSA-N 1 0 297.261 1.099 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001580770715 1172535601 /nfs/dbraw/zinc/53/56/01/1172535601.db2.gz PSGWLIXJOKSWHG-QEVYDEPDSA-N 1 0 298.302 1.689 20 5 CDBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[NH2+][C@@H]2C[C@@H]21 ZINC001580874912 1172557151 /nfs/dbraw/zinc/55/71/51/1172557151.db2.gz OPPMHUPIRSJBQA-NEPJUHHUSA-N 1 0 270.292 1.694 20 5 CDBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132703757 1175797387 /nfs/dbraw/zinc/79/73/87/1175797387.db2.gz BDTQRCCDEDBUIE-JTQLQIEISA-N 1 0 295.314 1.853 20 5 CDBDRO Cc1nc(Cl)nc(N(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000234245857 1178215327 /nfs/dbraw/zinc/21/53/27/1178215327.db2.gz QLVNWCYJXWDPFI-UHFFFAOYSA-N 1 0 287.751 1.735 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000401318836 1184134510 /nfs/dbraw/zinc/13/45/10/1184134510.db2.gz FMEITBIUZLBWAG-HRDYMLBCSA-N 1 0 267.285 1.399 20 5 CDBDRO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000312080241 1186694264 /nfs/dbraw/zinc/69/42/64/1186694264.db2.gz GSLIVTYJZHSIKT-GHMZBOCLSA-N 1 0 279.296 1.219 20 5 CDBDRO CC(C)(C)c1ccc(N[C@H]2C[NH2+]C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001170780522 1164118321 /nfs/dbraw/zinc/11/83/21/1164118321.db2.gz NGBSTKYCTNTDKN-MFKMUULPSA-N 1 0 293.367 1.885 20 5 CDBDRO COc1nc(N(C)CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001165040783 721932213 /nfs/dbraw/zinc/93/22/13/721932213.db2.gz NJGQGVBSJHMTDD-UHFFFAOYSA-N 1 0 294.355 1.776 20 5 CDBDRO CN(Cn1c(=O)oc2cccc([N+](=O)[O-])c21)C1CCC1 ZINC000794630932 1164529628 /nfs/dbraw/zinc/52/96/28/1164529628.db2.gz BBTQBGCIKAPLPY-UHFFFAOYSA-N 1 0 277.280 1.945 20 5 CDBDRO CC[C@@]1(O)CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000879313121 751476761 /nfs/dbraw/zinc/47/67/61/751476761.db2.gz FYOZWAFCCGQQBD-HUUCEWRRSA-N 1 0 294.351 1.865 20 5 CDBDRO [NH3+][C@H]1CC[C@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000870873064 751504086 /nfs/dbraw/zinc/50/40/86/751504086.db2.gz XOGZFNYTKCGWNX-JOCQHMNTSA-N 1 0 291.351 1.771 20 5 CDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877168990 751538937 /nfs/dbraw/zinc/53/89/37/751538937.db2.gz BPIQCFSQLVHGEV-DZHBCGKYSA-N 1 0 287.319 1.571 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCOC2)c1 ZINC000818974800 753783444 /nfs/dbraw/zinc/78/34/44/753783444.db2.gz FOGFMKFJFKFRRR-ZWNOBZJWSA-N 1 0 266.297 1.254 20 5 CDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCF ZINC001039583378 751608370 /nfs/dbraw/zinc/60/83/70/751608370.db2.gz NSSLKWLHQVFJKE-YVECIDJPSA-N 1 0 299.346 1.077 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC[N@H+](C)CCO ZINC000884825204 751799204 /nfs/dbraw/zinc/79/92/04/751799204.db2.gz KZFMFAKTZDFQRA-UHFFFAOYSA-N 1 0 287.747 1.893 20 5 CDBDRO C[NH+](C)C[C@H](O)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000031576081 751868894 /nfs/dbraw/zinc/86/88/94/751868894.db2.gz HHJBUEKMKKWJRF-SECBINFHSA-N 1 0 273.720 1.583 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1 ZINC000829592513 752016582 /nfs/dbraw/zinc/01/65/82/752016582.db2.gz CXFIRUNMNNTASN-YUELXQCFSA-N 1 0 292.335 1.739 20 5 CDBDRO CN(CCC[NH3+])C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701067196 752035771 /nfs/dbraw/zinc/03/57/71/752035771.db2.gz BHZPISOUXLGQGJ-UHFFFAOYSA-N 1 0 271.704 1.669 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CC23CCC3)c1 ZINC000872251031 752068729 /nfs/dbraw/zinc/06/87/29/752068729.db2.gz MKIPTNGBKMVJRX-GXTWGEPZSA-N 1 0 292.335 1.867 20 5 CDBDRO [NH3+]C[C@@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000050249741 752129638 /nfs/dbraw/zinc/12/96/38/752129638.db2.gz BAEBJUUOSMQPOW-ZETCQYMHSA-N 1 0 267.314 1.089 20 5 CDBDRO C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000785517240 752164281 /nfs/dbraw/zinc/16/42/81/752164281.db2.gz JBKXWJYFZVVUKV-DDTOSNHZSA-N 1 0 280.324 1.331 20 5 CDBDRO C[C@@H](O)[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000930140536 752207291 /nfs/dbraw/zinc/20/72/91/752207291.db2.gz CIMOXRDFLVYKCM-YGRLFVJLSA-N 1 0 280.324 1.301 20 5 CDBDRO C[N@H+](CC[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1 ZINC000791054036 749411351 /nfs/dbraw/zinc/41/13/51/749411351.db2.gz WOOSGMXUHOEICD-AWEZNQCLSA-N 1 0 263.341 1.864 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2CCC(C)([NH3+])CC2)c1[N+](=O)[O-] ZINC000843468766 749473873 /nfs/dbraw/zinc/47/38/73/749473873.db2.gz ZPFUHGQRKHZYRI-UHFFFAOYSA-N 1 0 295.314 1.996 20 5 CDBDRO Cc1nn(CN(C)C[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000817375334 749593095 /nfs/dbraw/zinc/59/30/95/749593095.db2.gz SQYUQJAMEZHTHH-LLVKDONJSA-N 1 0 267.333 1.083 20 5 CDBDRO Cc1ccc(Cn2cc(CCC[NH3+])nn2)cc1[N+](=O)[O-] ZINC000714048897 749594631 /nfs/dbraw/zinc/59/46/31/749594631.db2.gz MGQXBYLESHWDDR-UHFFFAOYSA-N 1 0 275.312 1.434 20 5 CDBDRO C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000923287214 749651565 /nfs/dbraw/zinc/65/15/65/749651565.db2.gz SUYBABNKQFEKPH-JTNHKYCSSA-N 1 0 279.340 1.310 20 5 CDBDRO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000840120785 749671753 /nfs/dbraw/zinc/67/17/53/749671753.db2.gz OOSLREFCJULGHN-UTUOFQBUSA-N 1 0 280.328 1.374 20 5 CDBDRO C[NH+]1CCC(CNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000822961305 749713408 /nfs/dbraw/zinc/71/34/08/749713408.db2.gz XSDQFVQCDNJNFN-UHFFFAOYSA-N 1 0 271.361 1.280 20 5 CDBDRO Cc1cc(C(=O)N2CC(C[NH+](C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000854724588 749718899 /nfs/dbraw/zinc/71/88/99/749718899.db2.gz RIYQXRQOWQRBJN-UHFFFAOYSA-N 1 0 292.339 1.119 20 5 CDBDRO CN(CC[NH3+])C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000706306069 750002168 /nfs/dbraw/zinc/00/21/68/750002168.db2.gz FHHPDHDWLFMKOT-UHFFFAOYSA-N 1 0 257.677 1.279 20 5 CDBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCOC1 ZINC000776583316 750211050 /nfs/dbraw/zinc/21/10/50/750211050.db2.gz ZRLXRMWLEOJJLO-WFASDCNBSA-N 1 0 294.351 1.987 20 5 CDBDRO C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839733117 750225600 /nfs/dbraw/zinc/22/56/00/750225600.db2.gz HTQAQYSONBIJEC-DGCLKSJQSA-N 1 0 277.324 1.394 20 5 CDBDRO C[N@@H+]1CC[C@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865507112 750285392 /nfs/dbraw/zinc/28/53/92/750285392.db2.gz ZLZNCDWDOXTTPI-SECBINFHSA-N 1 0 283.303 1.590 20 5 CDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 ZINC000930205608 750343025 /nfs/dbraw/zinc/34/30/25/750343025.db2.gz CQKZRMXWNIEZGR-SNVBAGLBSA-N 1 0 292.339 1.898 20 5 CDBDRO C[C@H]([NH3+])CN(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000863568791 750396789 /nfs/dbraw/zinc/39/67/89/750396789.db2.gz MWZXQTKRIAFHFA-JTQLQIEISA-N 1 0 280.328 1.202 20 5 CDBDRO C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817977464 750479411 /nfs/dbraw/zinc/47/94/11/750479411.db2.gz KSTSDTBWAMYAMK-UFAOYGAJSA-N 1 0 262.313 1.045 20 5 CDBDRO CC(C)(CCC(=O)NCCC[NH+]1CCCCC1)[N+](=O)[O-] ZINC000822229959 750525755 /nfs/dbraw/zinc/52/57/55/750525755.db2.gz NGVPDERGPHZVSW-UHFFFAOYSA-N 1 0 285.388 1.814 20 5 CDBDRO CC[C@H](C)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C(N)=O ZINC000887061363 750801086 /nfs/dbraw/zinc/80/10/86/750801086.db2.gz SXQNRALKFSUGDT-ZANVPECISA-N 1 0 279.340 1.893 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000818014599 750828720 /nfs/dbraw/zinc/82/87/20/750828720.db2.gz XQWSSHFJAKOGKD-UHFFFAOYSA-N 1 0 299.302 1.181 20 5 CDBDRO CC1([NH+]2CCC2)CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000882964476 750856642 /nfs/dbraw/zinc/85/66/42/750856642.db2.gz FEWMJDHUVSEAKP-UHFFFAOYSA-N 1 0 277.328 1.449 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2(CO)CCC2)c1 ZINC000843076193 750987850 /nfs/dbraw/zinc/98/78/50/750987850.db2.gz SNOWNPXDERHNDV-ZDUSSCGKSA-N 1 0 280.324 1.380 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cn2nccc2[N+](=O)[O-])C1 ZINC000840152808 751011515 /nfs/dbraw/zinc/01/15/15/751011515.db2.gz OFHJHIIOQVNNLH-NSHDSACASA-N 1 0 267.333 1.163 20 5 CDBDRO C[C@@H]1C[C@H]1C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877831759 751036950 /nfs/dbraw/zinc/03/69/50/751036950.db2.gz YLLQJJGJYGDWTI-QEGRKFQGSA-N 1 0 280.324 1.235 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000846741452 751074427 /nfs/dbraw/zinc/07/44/27/751074427.db2.gz DATQRUWJKQSLEN-BDAKNGLRSA-N 1 0 278.312 1.129 20 5 CDBDRO C[N@H+](CCO)CCNc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000884825165 751074465 /nfs/dbraw/zinc/07/44/65/751074465.db2.gz IQYZSUNTNQWRPU-UHFFFAOYSA-N 1 0 291.710 1.723 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877170074 751130230 /nfs/dbraw/zinc/13/02/30/751130230.db2.gz IZMGOSMVJAJHNQ-AOOOYVTPSA-N 1 0 295.726 1.825 20 5 CDBDRO CC(C)(C)[C@@H](C[NH3+])NCc1cccnc1[N+](=O)[O-] ZINC000886839599 751215142 /nfs/dbraw/zinc/21/51/42/751215142.db2.gz IDYRVYVZDVUPAP-SNVBAGLBSA-N 1 0 252.318 1.453 20 5 CDBDRO CC(=O)N[C@H]1CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877595179 751298619 /nfs/dbraw/zinc/29/86/19/751298619.db2.gz ULTQKQLLWAXQCH-ZDUSSCGKSA-N 1 0 291.351 1.922 20 5 CDBDRO O=[N+]([O-])c1c(F)nccc1NCCC[NH+]1CCC(O)CC1 ZINC000881828915 752332811 /nfs/dbraw/zinc/33/28/11/752332811.db2.gz OIRDKBTXVLWNCC-UHFFFAOYSA-N 1 0 298.318 1.388 20 5 CDBDRO Cc1ccc(C[NH2+][C@H](C(N)=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000878262171 752336134 /nfs/dbraw/zinc/33/61/34/752336134.db2.gz UMWDQDFBVOUHEA-GFCCVEGCSA-N 1 0 279.340 1.893 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2COCCN2)cc1Cl ZINC000863649382 752733384 /nfs/dbraw/zinc/73/33/84/752733384.db2.gz CPHHMIBTOLCVJO-SNVBAGLBSA-N 1 0 285.731 1.326 20 5 CDBDRO CCC[N@H+](CC[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000929694822 752736009 /nfs/dbraw/zinc/73/60/09/752736009.db2.gz AZBGOIHMPIQRQO-QJPTWQEYSA-N 1 0 256.346 1.789 20 5 CDBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+]1C ZINC000094774832 752831425 /nfs/dbraw/zinc/83/14/25/752831425.db2.gz DYFRPBQVEPCZJJ-JTQLQIEISA-N 1 0 267.304 1.870 20 5 CDBDRO Cc1ccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000923515643 752838711 /nfs/dbraw/zinc/83/87/11/752838711.db2.gz JHMMAGGRTPVKOH-UONOGXRCSA-N 1 0 275.352 1.945 20 5 CDBDRO C[C@@]1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000819060659 752888008 /nfs/dbraw/zinc/88/80/08/752888008.db2.gz KHVUECCSQQXHRG-KBPBESRZSA-N 1 0 280.324 1.644 20 5 CDBDRO COCC(C)(C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819329342 752888832 /nfs/dbraw/zinc/88/88/32/752888832.db2.gz UNWAJTUYIALADJ-ZDUSSCGKSA-N 1 0 282.340 1.890 20 5 CDBDRO O=[N+]([O-])c1ccnn1CN1CC[NH+](C2CCCC2)CC1 ZINC000123487644 753058772 /nfs/dbraw/zinc/05/87/72/753058772.db2.gz MCKWKUFTJUTIOR-UHFFFAOYSA-N 1 0 279.344 1.309 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CNC(=O)C1 ZINC000873131683 753097034 /nfs/dbraw/zinc/09/70/34/753097034.db2.gz XEOPUDYSZYNXAJ-LLVKDONJSA-N 1 0 277.324 1.437 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[S@](C)=O ZINC000873054305 753402842 /nfs/dbraw/zinc/40/28/42/753402842.db2.gz URDCTPIYNVCCSX-SFHVURJKSA-N 1 0 270.354 1.680 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000826867579 753431970 /nfs/dbraw/zinc/43/19/70/753431970.db2.gz NPKFHCBKIRAOJN-CYBMUJFWSA-N 1 0 281.287 1.255 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CCS[C@H]2COCC[C@H]21 ZINC000886043679 753481250 /nfs/dbraw/zinc/48/12/50/753481250.db2.gz HVICBGOGRZHMJY-NEPJUHHUSA-N 1 0 295.364 1.696 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCOCCO ZINC000873008241 753638949 /nfs/dbraw/zinc/63/89/49/753638949.db2.gz QAAZFLWUPUQPDL-UHFFFAOYSA-N 1 0 268.313 1.310 20 5 CDBDRO C[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000829015893 753639079 /nfs/dbraw/zinc/63/90/79/753639079.db2.gz WDFWFBDEAAOGDL-PHIMTYICSA-N 1 0 297.330 1.625 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3cccnc3[N+](=O)[O-])CC[C@@H]21 ZINC000886044534 753653487 /nfs/dbraw/zinc/65/34/87/753653487.db2.gz ZFKJWNMVPJHFDG-OCCSQVGLSA-N 1 0 290.367 1.906 20 5 CDBDRO CC(C)[C@@H]([NH3+])c1noc(-c2c([N+](=O)[O-])cnn2C)n1 ZINC000843148981 753695119 /nfs/dbraw/zinc/69/51/19/753695119.db2.gz HETGYBYLKVTFNE-SSDOTTSWSA-N 1 0 266.261 1.034 20 5 CDBDRO CC[NH+](CC)CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000864388059 753780219 /nfs/dbraw/zinc/78/02/19/753780219.db2.gz ZACIVMCMJUMOHK-UHFFFAOYSA-N 1 0 297.330 1.734 20 5 CDBDRO C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000086470817 753787025 /nfs/dbraw/zinc/78/70/25/753787025.db2.gz ZFBNXFUBDZKWGV-ZJUUUORDSA-N 1 0 267.304 1.916 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000092673383 753798330 /nfs/dbraw/zinc/79/83/30/753798330.db2.gz KNOFVMSEVZPLOS-LLVKDONJSA-N 1 0 292.339 1.343 20 5 CDBDRO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000886086542 753833960 /nfs/dbraw/zinc/83/39/60/753833960.db2.gz KLGQLIXTQREXBJ-JQWIXIFHSA-N 1 0 265.313 1.583 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000818014387 753837784 /nfs/dbraw/zinc/83/77/84/753837784.db2.gz SRVVKVBLEZIIJJ-UHFFFAOYSA-N 1 0 283.303 1.724 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CC[C@H]1C2 ZINC000905134714 753839930 /nfs/dbraw/zinc/83/99/30/753839930.db2.gz GKRQISUEHFSJMX-LBPRGKRZSA-N 1 0 276.296 1.517 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](C)C(N)=O)c1F ZINC001173175818 912280788 /nfs/dbraw/zinc/28/07/88/912280788.db2.gz UCWUROSQWWRFJD-YUMQZZPRSA-N 1 0 299.302 1.137 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCNC(=O)C1 ZINC001173215570 912297164 /nfs/dbraw/zinc/29/71/64/912297164.db2.gz WVRVMQNDXQWQTQ-JQWIXIFHSA-N 1 0 277.324 1.394 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC(CO)(CO)C1 ZINC001173215884 912299025 /nfs/dbraw/zinc/29/90/25/912299025.db2.gz FRYILFJRHGPZTK-NSHDSACASA-N 1 0 294.351 1.249 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C=CS(=O)(=O)C1 ZINC001173214812 912336112 /nfs/dbraw/zinc/33/61/12/912336112.db2.gz QJUVQJGJJQJONW-PWSUYJOCSA-N 1 0 296.348 1.426 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C=CS(=O)(=O)C1 ZINC001173214813 912337269 /nfs/dbraw/zinc/33/72/69/912337269.db2.gz QJUVQJGJJQJONW-ZYHUDNBSSA-N 1 0 296.348 1.426 20 5 CDBDRO CCNC(=O)C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173212870 912337309 /nfs/dbraw/zinc/33/73/09/912337309.db2.gz CBWCWZQVEMNZJI-SNVBAGLBSA-N 1 0 265.313 1.252 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)[N+](=O)[O-])n2C)C[C@H]1C ZINC001121298559 912952686 /nfs/dbraw/zinc/95/26/86/912952686.db2.gz ZIAUBABBGJJHMC-OUAUKWLOSA-N 1 0 296.375 1.072 20 5 CDBDRO C[C@H]1COC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000699772566 914243097 /nfs/dbraw/zinc/24/30/97/914243097.db2.gz DRMFEVGQMOQJLW-JQWIXIFHSA-N 1 0 250.298 1.762 20 5 CDBDRO [NH3+]CCc1nnn(-c2ncnc3cc4ccccc4cc32)n1 ZINC001167790909 900792590 /nfs/dbraw/zinc/79/25/90/900792590.db2.gz RESHFQSPXIVBPS-UHFFFAOYSA-N 1 0 291.318 1.260 20 5 CDBDRO COC(=O)C(C(=O)OC)c1cc(NC=[NH2+])ccc1[N+](=O)[O-] ZINC001167871599 901525815 /nfs/dbraw/zinc/52/58/15/901525815.db2.gz QZSVBINUNIJSST-UHFFFAOYSA-N 1 0 295.251 1.043 20 5 CDBDRO C[NH+](C)CCCO[C@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001206297414 914552231 /nfs/dbraw/zinc/55/22/31/914552231.db2.gz WDASLVGLGJVOAM-CQSZACIVSA-N 1 0 296.323 1.701 20 5 CDBDRO COc1ccc(NC(=N)SCC[NH3+])nc1[N+](=O)[O-] ZINC001167909972 902102407 /nfs/dbraw/zinc/10/24/07/902102407.db2.gz OCJGFOZEWQJOHB-UHFFFAOYSA-N 1 0 271.302 1.037 20 5 CDBDRO COCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cn2)CC1 ZINC001225634284 903438886 /nfs/dbraw/zinc/43/88/86/903438886.db2.gz FUHDYYGWCAIXAJ-UHFFFAOYSA-N 1 0 295.339 1.870 20 5 CDBDRO Cc1c(OC(=O)C[C@@H](O)C[N+](C)(C)C)cccc1[N+](=O)[O-] ZINC001225689044 903789266 /nfs/dbraw/zinc/78/92/66/903789266.db2.gz ABUTUOQUZPDFCR-LLVKDONJSA-N 1 0 297.331 1.266 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ncnc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168227921 907946320 /nfs/dbraw/zinc/94/63/20/907946320.db2.gz HKOVVNCVOXIXNE-RITPCOANSA-N 1 0 275.671 1.150 20 5 CDBDRO COc1c(F)cc(-n2cc(C[NH3+])cn2)cc1[N+](=O)[O-] ZINC001168262162 908014470 /nfs/dbraw/zinc/01/44/70/908014470.db2.gz OFFBRKZFTCIQBI-UHFFFAOYSA-N 1 0 266.232 1.387 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCC1=CCCCC1 ZINC001225002613 911558653 /nfs/dbraw/zinc/55/86/53/911558653.db2.gz WJPZKWXFJRWCPC-CYBMUJFWSA-N 1 0 256.366 1.487 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CC3(C2)OCCO3)cc1 ZINC000922803774 921823645 /nfs/dbraw/zinc/82/36/45/921823645.db2.gz GKXGYSLIPXJHNR-UHFFFAOYSA-N 1 0 278.308 1.838 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701068594 922320482 /nfs/dbraw/zinc/32/04/82/922320482.db2.gz XOCNNEMUKUSHLI-UHFFFAOYSA-N 1 0 271.704 1.669 20 5 CDBDRO [NH3+][C@H]1COC[C@H]1Nc1cc([N+](=O)[O-])ccc1Cl ZINC001162921385 923271351 /nfs/dbraw/zinc/27/13/51/923271351.db2.gz YWSVWEXJZJKDGY-WCBMZHEXSA-N 1 0 257.677 1.386 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923411920 923817019 /nfs/dbraw/zinc/81/70/19/923817019.db2.gz GBWWKAKJNVFJBZ-IRUJWGPZSA-N 1 0 265.313 1.050 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000839721475 936922090 /nfs/dbraw/zinc/92/20/90/936922090.db2.gz MPDJMXOUNJBVRQ-OIMNJJJWSA-N 1 0 295.383 1.421 20 5 CDBDRO Cc1cc(NC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1C[NH+](C)C ZINC000839798324 936926198 /nfs/dbraw/zinc/92/61/98/936926198.db2.gz SYELYVNGGYTCEQ-CHWSQXEVSA-N 1 0 277.324 1.660 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2c(ncnc2Cl)n1C ZINC001231046144 925613261 /nfs/dbraw/zinc/61/32/61/925613261.db2.gz LEEYQSINRFJPQK-QMMMGPOBSA-N 1 0 284.771 1.490 20 5 CDBDRO CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001086007311 926596071 /nfs/dbraw/zinc/59/60/71/926596071.db2.gz BBLQQHRCKGUFDJ-BETUJISGSA-N 1 0 277.324 1.599 20 5 CDBDRO Cc1noc(C)c1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168976176 927561736 /nfs/dbraw/zinc/56/17/36/927561736.db2.gz ZCOCXSRTECMTNN-GHMZBOCLSA-N 1 0 253.302 1.826 20 5 CDBDRO COc1ccc([C@H](CO)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168978449 927566701 /nfs/dbraw/zinc/56/67/01/927566701.db2.gz SIQFFRGFPIBMGY-KYOSRNDESA-N 1 0 294.351 1.764 20 5 CDBDRO O=C1CCC2(CCC([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)N1 ZINC001168979496 927568498 /nfs/dbraw/zinc/56/84/98/927568498.db2.gz YPMWNRKYFUUUJG-UQJCBBSYSA-N 1 0 295.383 1.613 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C2CCCCC2)C1 ZINC001168982113 927571033 /nfs/dbraw/zinc/57/10/33/927571033.db2.gz IOHIIWUNGLGCIM-MRVWCRGKSA-N 1 0 270.373 1.963 20 5 CDBDRO C[C@](O)(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168956832 927578250 /nfs/dbraw/zinc/57/82/50/927578250.db2.gz FVCUOMFNOMQOFG-YUELXQCFSA-N 1 0 278.352 1.929 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc3nonc3c2)C1 ZINC001168965654 927589155 /nfs/dbraw/zinc/58/91/55/927589155.db2.gz BORJAVKQEZQCKK-MNOVXSKESA-N 1 0 276.296 1.758 20 5 CDBDRO COc1cncc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168994115 927600750 /nfs/dbraw/zinc/60/07/50/927600750.db2.gz PJMZTBGLLADJIU-ZYHUDNBSSA-N 1 0 265.313 1.625 20 5 CDBDRO COc1ccccc1[C@@H](CO)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169002748 927605310 /nfs/dbraw/zinc/60/53/10/927605310.db2.gz MCWVOSJAMFRICE-YRGRVCCFSA-N 1 0 294.351 1.764 20 5 CDBDRO CCn1cnc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169006268 927608847 /nfs/dbraw/zinc/60/88/47/927608847.db2.gz XCIFGHMTFUTATP-GHMZBOCLSA-N 1 0 252.318 1.438 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CC[C@@H]3CCO[C@H]3C2)C1 ZINC001169013973 927620167 /nfs/dbraw/zinc/62/01/67/927620167.db2.gz XAXMGDFGWLFTKI-RNJOBUHISA-N 1 0 254.330 1.543 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccccn2)C1 ZINC001168986557 927621970 /nfs/dbraw/zinc/62/19/70/927621970.db2.gz XJYPTGMQBCMBIX-NTZNESFSSA-N 1 0 265.313 1.150 20 5 CDBDRO Nc1ccc([C@H](CCO)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168990936 927630146 /nfs/dbraw/zinc/63/01/46/927630146.db2.gz FQSCSIQQMBMFHT-DFBGVHRSSA-N 1 0 293.367 1.727 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](CCO)C2)C1 ZINC001169034982 927642492 /nfs/dbraw/zinc/64/24/92/927642492.db2.gz JLZVXPFOTAZVDK-UPJWGTAASA-N 1 0 256.346 1.526 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(c3ccncn3)CC2)C1 ZINC001169035559 927644510 /nfs/dbraw/zinc/64/45/10/927644510.db2.gz CCEQXWSRTJCSIV-CHWSQXEVSA-N 1 0 291.355 1.044 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCn3cncc3C2)C1 ZINC001169037487 927647195 /nfs/dbraw/zinc/64/71/95/927647195.db2.gz RYJJQJCPHQFXMA-WDEREUQCSA-N 1 0 250.302 1.144 20 5 CDBDRO CCOC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038567 927651448 /nfs/dbraw/zinc/65/14/48/927651448.db2.gz ZRINBFCLTBESJP-XQQFMLRXSA-N 1 0 284.356 1.849 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(c3cncnc3)CC2)C1 ZINC001169039828 927652995 /nfs/dbraw/zinc/65/29/95/927652995.db2.gz UKGUHUGGWIPFDY-QWHCGFSZSA-N 1 0 291.355 1.044 20 5 CDBDRO O=c1ccc2c([nH]1)CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169040379 927653489 /nfs/dbraw/zinc/65/34/89/927653489.db2.gz ZMVFPBHTQKFSDA-DGCLKSJQSA-N 1 0 291.351 1.633 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC001169022470 927662636 /nfs/dbraw/zinc/66/26/36/927662636.db2.gz BYBCTUAZRMQWAD-RDBSUJKOSA-N 1 0 267.373 1.602 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CC[C@@H](N3CCCCC3)C2)C1 ZINC001169047558 927665115 /nfs/dbraw/zinc/66/51/15/927665115.db2.gz RKBMBKTZWCEEKM-RRFJBIMHSA-N 1 0 281.400 1.992 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC3(C2)CCOCC3)C1 ZINC001169026563 927665972 /nfs/dbraw/zinc/66/59/72/927665972.db2.gz MTCYMIFCRKFXBJ-CHWSQXEVSA-N 1 0 268.357 1.934 20 5 CDBDRO C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]1CCC2(C1)OCCO2 ZINC001169050028 927668838 /nfs/dbraw/zinc/66/88/38/927668838.db2.gz YCJIUPPXDBLUNY-UPJWGTAASA-N 1 0 284.356 1.659 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](Oc3cnccn3)C2)C1 ZINC001169052448 927669815 /nfs/dbraw/zinc/66/98/15/927669815.db2.gz FXVPMPAWFGRZRO-UPJWGTAASA-N 1 0 292.339 1.375 20 5 CDBDRO CCOc1cnc(-n2ccc([C@H](C)[NH3+])n2)c([N+](=O)[O-])c1 ZINC001169227750 927824970 /nfs/dbraw/zinc/82/49/70/927824970.db2.gz FDPXAJPEDWOLFL-QMMMGPOBSA-N 1 0 277.284 1.594 20 5 CDBDRO COc1cc(N(C)C(C)(C)C[NH3+])cnc1[N+](=O)[O-] ZINC001170059151 929236620 /nfs/dbraw/zinc/23/66/20/929236620.db2.gz ARCWZJVDPWBWBM-UHFFFAOYSA-N 1 0 254.290 1.172 20 5 CDBDRO O=C1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CN1CC1CC1 ZINC000883403985 930193619 /nfs/dbraw/zinc/19/36/19/930193619.db2.gz KYDNUMVLECAGMK-CYBMUJFWSA-N 1 0 289.335 1.695 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NOCC[NH+](C)C ZINC000823255144 931277170 /nfs/dbraw/zinc/27/71/70/931277170.db2.gz NVQSMJCKWIIMFY-UHFFFAOYSA-N 1 0 281.312 1.435 20 5 CDBDRO Cc1nc(N[C@@H](C)CN2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001154747380 937581614 /nfs/dbraw/zinc/58/16/14/937581614.db2.gz HJHNNMMJGJCQEG-JTQLQIEISA-N 1 0 279.344 1.004 20 5 CDBDRO CC(C)C[NH2+]CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001118144072 937595387 /nfs/dbraw/zinc/59/53/87/937595387.db2.gz LEXSIGYSTKYEFM-UHFFFAOYSA-N 1 0 295.339 1.335 20 5 CDBDRO [NH3+]CCc1cc2ccccc2n1-c1cnc([N+](=O)[O-])cn1 ZINC001171304681 932510011 /nfs/dbraw/zinc/51/00/11/932510011.db2.gz KYLNEGCHSWAFSJ-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](Nc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001154984981 937616459 /nfs/dbraw/zinc/61/64/59/937616459.db2.gz JWGPHQJHCPRARN-YUMQZZPRSA-N 1 0 286.719 1.563 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC001154986246 937616656 /nfs/dbraw/zinc/61/66/56/937616656.db2.gz QWLCUGOAKYCUJL-BDAKNGLRSA-N 1 0 281.316 1.384 20 5 CDBDRO Cc1c(F)cnc(NC[C@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC001171327555 932680487 /nfs/dbraw/zinc/68/04/87/932680487.db2.gz GKGSJCPZDNWEQA-SECBINFHSA-N 1 0 268.292 1.991 20 5 CDBDRO [NH3+]Cc1ccnn1-c1nccc2cc([N+](=O)[O-])ccc21 ZINC001155130223 937639551 /nfs/dbraw/zinc/63/95/51/937639551.db2.gz GLJIRFZIQYNZSI-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO CC(C)NC(=O)CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158357274 934287667 /nfs/dbraw/zinc/28/76/67/934287667.db2.gz BJEHKYWSYAZEOF-ZDUSSCGKSA-N 1 0 295.339 1.133 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](CO)CC2CC2)cc1 ZINC001120503097 937804759 /nfs/dbraw/zinc/80/47/59/937804759.db2.gz ITEICCVWUNSHMK-SWLSCSKDSA-N 1 0 294.351 1.626 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCC[C@@H](F)C2)c1 ZINC001120515201 937805364 /nfs/dbraw/zinc/80/53/64/937805364.db2.gz GNMFTHNEKXCIQL-CKYFFXLPSA-N 1 0 286.307 1.023 20 5 CDBDRO CO[C@@H](C)C[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000795744908 934930347 /nfs/dbraw/zinc/93/03/47/934930347.db2.gz AGCUWBLNUMLSQM-VIFPVBQESA-N 1 0 293.327 1.572 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]C1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001122010283 937898848 /nfs/dbraw/zinc/89/88/48/937898848.db2.gz MHDKXIPFPAZGRA-UBHSHLNASA-N 1 0 289.335 1.567 20 5 CDBDRO CC(C)N(CCC[NH3+])c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001156118502 938321458 /nfs/dbraw/zinc/32/14/58/938321458.db2.gz MVDCMWRGVUNMQA-UHFFFAOYSA-N 1 0 283.288 1.462 20 5 CDBDRO CN(C)/C=C/c1cc(N[C@H]2CC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC001156580399 938389071 /nfs/dbraw/zinc/38/90/71/938389071.db2.gz AWPGMSGUCJGJJH-FUEXJSSKSA-N 1 0 291.355 1.638 20 5 CDBDRO C[NH2+]CCNc1nc(SC)nc(Cl)c1[N+](=O)[O-] ZINC001156891450 938428662 /nfs/dbraw/zinc/42/86/62/938428662.db2.gz XGPAMIKHWDONDS-UHFFFAOYSA-N 1 0 277.737 1.391 20 5 CDBDRO COC(=O)c1ccnc(NC2(C)CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001157401607 938486953 /nfs/dbraw/zinc/48/69/53/938486953.db2.gz NDRYWOFEHOEYCP-UHFFFAOYSA-N 1 0 294.311 1.330 20 5 CDBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3C[NH2+][C@@H]3C2)c2ccccc21 ZINC001157619715 938521197 /nfs/dbraw/zinc/52/11/97/938521197.db2.gz HWQCYEWMFDEBMU-JOYOIKCWSA-N 1 0 270.292 1.551 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCCN1c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001157732513 938537808 /nfs/dbraw/zinc/53/78/08/938537808.db2.gz JTAQIGVPVVUCQT-VXNVDRBHSA-N 1 0 270.720 1.959 20 5 CDBDRO Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001157760662 938541651 /nfs/dbraw/zinc/54/16/51/938541651.db2.gz GRWKCDGABIUBAQ-ZIAGYGMSSA-N 1 0 291.351 1.256 20 5 CDBDRO [NH3+][C@@H]1CCc2nn(-c3ncc([N+](=O)[O-])cc3Cl)cc2C1 ZINC001157979658 938570951 /nfs/dbraw/zinc/57/09/51/938570951.db2.gz HDLMRTNLGCUUIA-MRVPVSSYSA-N 1 0 293.714 1.645 20 5 CDBDRO Cc1nc(-n2cc(CC[NH3+])c3ncccc32)ncc1[N+](=O)[O-] ZINC001158754523 938659996 /nfs/dbraw/zinc/65/99/96/938659996.db2.gz ZDRZVBMDPVMRHL-UHFFFAOYSA-N 1 0 298.306 1.533 20 5 CDBDRO C[NH+]1CC(CNc2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001159216297 938712333 /nfs/dbraw/zinc/71/23/33/938712333.db2.gz NSTVXJXQZKLBJS-UHFFFAOYSA-N 1 0 256.693 1.617 20 5 CDBDRO C[C@@H]([NH3+])CCNc1c([N+](=O)[O-])cc[n+]([O-])c1Cl ZINC001159772642 938750919 /nfs/dbraw/zinc/75/09/19/938750919.db2.gz ICHHLKXAUSLKRB-ZCFIWIBFSA-N 1 0 260.681 1.031 20 5 CDBDRO COc1nc(NC[C@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC001160146099 938771259 /nfs/dbraw/zinc/77/12/59/938771259.db2.gz ZZLHKSXUYPRWQX-SECBINFHSA-N 1 0 266.301 1.552 20 5 CDBDRO CC[N+](C)(C)Cc1ccccc1NCCn1ccnn1 ZINC001161930401 938944081 /nfs/dbraw/zinc/94/40/81/938944081.db2.gz SLLHFOSTDPEXSA-UHFFFAOYSA-N 1 0 274.392 1.987 20 5 CDBDRO COc1cc(-n2cnc(C[NH3+])c2)cc([N+](=O)[O-])c1C ZINC001162304120 938975866 /nfs/dbraw/zinc/97/58/66/938975866.db2.gz JWJFGSHSUFODHR-UHFFFAOYSA-N 1 0 262.269 1.556 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@@]2(C)CCC[N@H+](C)C2)n1 ZINC001162341180 939031132 /nfs/dbraw/zinc/03/11/32/939031132.db2.gz JOULPQZECDGZBT-ZDUSSCGKSA-N 1 0 295.343 1.598 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@@]2(F)CCCC[NH2+]C2)nc1 ZINC001162574041 939091527 /nfs/dbraw/zinc/09/15/27/939091527.db2.gz WSFNDNOINSJMSA-LLVKDONJSA-N 1 0 269.280 1.279 20 5 CDBDRO COc1ncc([N+](=O)[O-])c(NC[C@@]2(F)CCCC[NH2+]C2)n1 ZINC001162578926 939091834 /nfs/dbraw/zinc/09/18/34/939091834.db2.gz ABAJVASOVLGNBW-GFCCVEGCSA-N 1 0 299.306 1.287 20 5 CDBDRO Cc1c(C)c([N+](=O)[O-])cnc1N[C@@H]1C=C[C@@H]2C[NH2+]C[C@H]12 ZINC001162792159 939141192 /nfs/dbraw/zinc/14/11/92/939141192.db2.gz FRQFLCBFQYPWHG-GRYCIOLGSA-N 1 0 274.324 1.793 20 5 CDBDRO COc1cc(C)nc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)c1[N+](=O)[O-] ZINC001162794790 939142432 /nfs/dbraw/zinc/14/24/32/939142432.db2.gz RSOGMTWQHDLJNS-GARJFASQSA-N 1 0 290.323 1.493 20 5 CDBDRO O=[N+]([O-])c1ccnc(Cl)c1N[C@@H]1COCCC12C[NH2+]C2 ZINC001163070342 939189679 /nfs/dbraw/zinc/18/96/79/939189679.db2.gz WKZBKUGBQJAONE-SECBINFHSA-N 1 0 298.730 1.434 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)nc1 ZINC001163159365 939216295 /nfs/dbraw/zinc/21/62/95/939216295.db2.gz IDURSNNWERVAAW-YUSALJHKSA-N 1 0 278.312 1.026 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@H](C[NH3+])c1ccccc1 ZINC001163297654 939241547 /nfs/dbraw/zinc/24/15/47/939241547.db2.gz IAJKNZYRXIISAV-GFCCVEGCSA-N 1 0 288.307 1.649 20 5 CDBDRO Cc1nnc(C[NH3+])n1-c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001163348702 939253703 /nfs/dbraw/zinc/25/37/03/939253703.db2.gz OJDJIFZNLQITRY-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001163770149 939325807 /nfs/dbraw/zinc/32/58/07/939325807.db2.gz FWHCEBPKPMVBEY-SSDOTTSWSA-N 1 0 274.708 1.244 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1ncc2cccc([N+](=O)[O-])c2n1 ZINC001163779172 939329893 /nfs/dbraw/zinc/32/98/93/939329893.db2.gz ZZSXJKKZVADXRM-SECBINFHSA-N 1 0 275.312 1.900 20 5 CDBDRO [NH3+][C@@H]1CCN(c2ncc(F)c3cc([N+](=O)[O-])ccc32)C1 ZINC001164279759 939445308 /nfs/dbraw/zinc/44/53/08/939445308.db2.gz UPUQHUDHORRKGM-MRVPVSSYSA-N 1 0 276.271 1.820 20 5 CDBDRO C[C@@H]1CC[C@@H](C[NH3+])CN1c1cc(N)c([N+](=O)[O-])cn1 ZINC001164468241 939476701 /nfs/dbraw/zinc/47/67/01/939476701.db2.gz PTLPPUQHHTWXQH-BDAKNGLRSA-N 1 0 265.317 1.136 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2CC[NH+](C(C)(C)C)CC2)n1 ZINC001165091515 939508905 /nfs/dbraw/zinc/50/89/05/939508905.db2.gz SLBUDEIOVKDERC-UHFFFAOYSA-N 1 0 279.344 1.614 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001165269338 939537578 /nfs/dbraw/zinc/53/75/78/939537578.db2.gz JMQMLDHBVOKFIU-UWVGGRQHSA-N 1 0 298.730 1.210 20 5 CDBDRO O=[N+]([O-])c1cnc(NCC2C[NH+](Cc3ccccc3)C2)cn1 ZINC001165453733 939565880 /nfs/dbraw/zinc/56/58/80/939565880.db2.gz HWVQQJQDZICWTG-UHFFFAOYSA-N 1 0 299.334 1.929 20 5 CDBDRO [NH3+]CCc1nccn1-c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001166300027 939603664 /nfs/dbraw/zinc/60/36/64/939603664.db2.gz ZJFXJYQOSQFEPQ-UHFFFAOYSA-N 1 0 287.323 1.556 20 5 CDBDRO COc1ccc2[nH+]c(N)n(-c3ccc([N+](=O)[O-])nc3)c2c1 ZINC001203561084 939693542 /nfs/dbraw/zinc/69/35/42/939693542.db2.gz UHLQHKNNAMSNTE-UHFFFAOYSA-N 1 0 285.263 1.920 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCCOc1cccc2c1OCCO2 ZINC001206655225 940075484 /nfs/dbraw/zinc/07/54/84/940075484.db2.gz ROJKPRMMZJCIFK-ZDUSSCGKSA-N 1 0 296.387 1.948 20 5 CDBDRO Nc1ccc(O[C@@H]2CCC[NH2+]C[C@H]2F)cc1[N+](=O)[O-] ZINC001217951095 941032042 /nfs/dbraw/zinc/03/20/42/941032042.db2.gz OKRYKGQSGUKBGF-BXKDBHETSA-N 1 0 269.276 1.646 20 5 CDBDRO COC(=O)c1sc([N+](=O)[O-])cc1O[C@H]1CC[NH2+]C1 ZINC001218179915 941042390 /nfs/dbraw/zinc/04/23/90/941042390.db2.gz UUSAFHQMLXZNNS-LURJTMIESA-N 1 0 272.282 1.184 20 5 CDBDRO COC(=O)c1cncc(CO[C@H](C)C[N+](C)(C)C)c1 ZINC001223491642 941682058 /nfs/dbraw/zinc/68/20/58/941682058.db2.gz HDPIPFDKLIDOAR-LLVKDONJSA-N 1 0 267.349 1.480 20 5 CDBDRO O=[N+]([O-])c1ccc(CO[C@@H]2C[NH+]3CCC2CC3)cn1 ZINC001224109348 941721119 /nfs/dbraw/zinc/72/11/19/941721119.db2.gz RNBSBSNPYUUKMY-GFCCVEGCSA-N 1 0 263.297 1.601 20 5 CDBDRO C[C@H]1[C@@H](OCC[N+](C)(C)C)CN1C(=O)OC(C)(C)C ZINC001224775704 941790287 /nfs/dbraw/zinc/79/02/87/941790287.db2.gz MZBODJQIXAFDKD-RYUDHWBXSA-N 1 0 273.397 1.717 20 5 CDBDRO COC(=O)C[C@@H]1CCC[C@@H](OCC[N+](C)(C)C)C1 ZINC001224776282 941790308 /nfs/dbraw/zinc/79/03/08/941790308.db2.gz UKZXTPPMFLVISG-CHWSQXEVSA-N 1 0 258.382 1.831 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](Oc2cccnc2[N+](=O)[O-])C1 ZINC001225628995 941891767 /nfs/dbraw/zinc/89/17/67/941891767.db2.gz BSWJEJPAIJCCAT-JTQLQIEISA-N 1 0 251.286 1.851 20 5 CDBDRO COc1ccc(F)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225649722 941894415 /nfs/dbraw/zinc/89/44/15/941894415.db2.gz VKKWVWKOQTVZJB-LLVKDONJSA-N 1 0 286.323 1.197 20 5 CDBDRO CC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(C)c1 ZINC001226037844 941944612 /nfs/dbraw/zinc/94/46/12/941944612.db2.gz SYGJJENKFGTIFH-CQSZACIVSA-N 1 0 294.371 1.560 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ncc(F)cc1[N+](=O)[O-] ZINC001226751154 942061770 /nfs/dbraw/zinc/06/17/70/942061770.db2.gz FMAOIXPTNXOWKQ-QMMMGPOBSA-N 1 0 258.273 1.602 20 5 CDBDRO C[N@@H+]1CCC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001227744231 942216725 /nfs/dbraw/zinc/21/67/25/942216725.db2.gz FPMHAGKSZKILFZ-JTQLQIEISA-N 1 0 276.296 1.944 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2cccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC001227894893 942241072 /nfs/dbraw/zinc/24/10/72/942241072.db2.gz RAYCVQWPTHIXOJ-SNVBAGLBSA-N 1 0 294.307 1.854 20 5 CDBDRO C[C@H](C[NH+](C)C)Oc1nccc(Cl)c1[N+](=O)[O-] ZINC001228013929 942257121 /nfs/dbraw/zinc/25/71/21/942257121.db2.gz ALFQLASSFOXVCB-SSDOTTSWSA-N 1 0 259.693 1.972 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccnc(C(F)F)c1 ZINC001228531863 942332006 /nfs/dbraw/zinc/33/20/06/942332006.db2.gz RSVVEZYHVHVJOA-SECBINFHSA-N 1 0 289.302 1.382 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(Cl)ccc1O ZINC001229546332 942490344 /nfs/dbraw/zinc/49/03/44/942490344.db2.gz FKLACCSHUBAFIX-SNVBAGLBSA-O 1 0 288.751 1.408 20 5 CDBDRO CC(=O)NCCc1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001229668362 942506918 /nfs/dbraw/zinc/50/69/18/942506918.db2.gz JLKXYCVNBWAJJO-CYBMUJFWSA-O 1 0 279.404 1.839 20 5 CDBDRO COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@H]1CC[N@H+](C)C1 ZINC001229901967 942551070 /nfs/dbraw/zinc/55/10/70/942551070.db2.gz DCINBTFTVKCXAU-JTQLQIEISA-N 1 0 294.307 1.773 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(=O)cc2occc(O)c1-2 ZINC001233835501 943668381 /nfs/dbraw/zinc/66/83/81/943668381.db2.gz ZLXQDRUFAYBWNY-JTQLQIEISA-O 1 0 278.328 1.924 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2ccc(CC[N+](=O)[O-])cc2OC)C1 ZINC001233987724 943707393 /nfs/dbraw/zinc/70/73/93/943707393.db2.gz SRJBWYFRBSTOEH-ZDUSSCGKSA-N 1 0 294.351 1.987 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(N2CCOCC2)c1 ZINC001234000439 943711446 /nfs/dbraw/zinc/71/14/46/943711446.db2.gz KSHWPNHMSQGFOR-AWEZNQCLSA-N 1 0 279.404 1.997 20 5 CDBDRO Cc1nccc([N+](=O)[O-])c1OC[C@@H]1CN(C)CCO1 ZINC001234899833 943968183 /nfs/dbraw/zinc/96/81/83/943968183.db2.gz GTTZTMWTTPLFKK-JTQLQIEISA-N 1 0 267.285 1.008 20 5 CDBDRO [NH3+][C@@H](CC1CC1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001262035784 946391229 /nfs/dbraw/zinc/39/12/29/946391229.db2.gz VMOQJSWZCBPYDB-ZDUSSCGKSA-N 1 0 275.308 1.564 20 5 CDBDRO CC[C@]([NH3+])(CO)N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254539001 947516738 /nfs/dbraw/zinc/51/67/38/947516738.db2.gz AILKIIQGUTYNCT-GXFFZTMASA-N 1 0 267.329 1.173 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COC(=O)C1 ZINC001254539727 947517419 /nfs/dbraw/zinc/51/74/19/947517419.db2.gz KEGRZBGURTXOAL-MWLCHTKSSA-N 1 0 264.281 1.431 20 5 CDBDRO Cc1nccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254576394 947535618 /nfs/dbraw/zinc/53/56/18/947535618.db2.gz WGJHTKQHGJHISI-CQSZACIVSA-N 1 0 284.319 1.950 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1(CO)CCCC1)C2 ZINC001254581176 947537589 /nfs/dbraw/zinc/53/75/89/947537589.db2.gz JKHDDKIDSJQZCE-CYBMUJFWSA-N 1 0 276.336 1.957 20 5 CDBDRO COC(=O)C[C@@H](C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580583 947537834 /nfs/dbraw/zinc/53/78/34/947537834.db2.gz GQSUKYJBECHRRN-SKDRFNHKSA-N 1 0 278.308 1.603 20 5 CDBDRO O=C1CCC[C@@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CN1 ZINC001254579913 947538535 /nfs/dbraw/zinc/53/85/35/947538535.db2.gz XARAMLPVAYOEAE-OLZOCXBDSA-N 1 0 289.335 1.320 20 5 CDBDRO C[C@@H](CO)C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254585923 947539189 /nfs/dbraw/zinc/53/91/89/947539189.db2.gz YTJCBUNRJQJICU-SKDRFNHKSA-N 1 0 250.298 1.280 20 5 CDBDRO C[C@H](O)CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254584720 947539783 /nfs/dbraw/zinc/53/97/83/947539783.db2.gz JAMVGZDCVYICQY-JOYOIKCWSA-N 1 0 250.298 1.423 20 5 CDBDRO COC(=O)[C@@H]1C[C@H]1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254583976 947539600 /nfs/dbraw/zinc/53/96/00/947539600.db2.gz FKCMENKMBGYYDV-OUCADQQQSA-N 1 0 290.319 1.461 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1C[C@@H]3COC[C@@H]3C1)C2 ZINC001254592468 947542930 /nfs/dbraw/zinc/54/29/30/947542930.db2.gz DONLBQPSRDLBHJ-GUTXKFCHSA-N 1 0 274.320 1.640 20 5 CDBDRO C[C@@H]1C[C@H](O)CC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604907 947553869 /nfs/dbraw/zinc/55/38/69/947553869.db2.gz YMCLGUGTWOXUTJ-VCTAVGKDSA-N 1 0 276.336 1.907 20 5 CDBDRO COc1ccc(C[C@@H](C)N2CC[C@@](C)([NH3+])C2)c([N+](=O)[O-])c1 ZINC001246532169 948232491 /nfs/dbraw/zinc/23/24/91/948232491.db2.gz UWXVULKMBCTXOU-IAQYHMDHSA-N 1 0 293.367 1.958 20 5 CDBDRO CC(C)[C@@H]1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]1 ZINC001246684453 948405029 /nfs/dbraw/zinc/40/50/29/948405029.db2.gz FRHHRRSZOKPHCW-HOTGVXAUSA-N 1 0 289.379 1.992 20 5 CDBDRO COc1cc(C[NH2+]C[C@H](C)CCO)c([N+](=O)[O-])cc1O ZINC001308286886 956510458 /nfs/dbraw/zinc/51/04/58/956510458.db2.gz SAYKDIZQOFKXRH-SECBINFHSA-N 1 0 284.312 1.417 20 5 CDBDRO CO[C@@]1(CN2Cc3ccc([N+](=O)[O-])cc3C2)CCOC1 ZINC001330615263 956518948 /nfs/dbraw/zinc/51/89/48/956518948.db2.gz MPHVWKLZTPRQSH-CQSZACIVSA-N 1 0 278.308 1.716 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001331701082 957213087 /nfs/dbraw/zinc/21/30/87/957213087.db2.gz GHRODSAUQOICCH-DGCLKSJQSA-N 1 0 277.324 1.991 20 5 CDBDRO Nc1ccc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC001334670788 959274228 /nfs/dbraw/zinc/27/42/28/959274228.db2.gz XYTFUGRLMXGYFT-QMTHXVAHSA-N 1 0 290.323 1.130 20 5 CDBDRO CCCC[N@H+](C)CCNc1c(C)cncc1[N+](=O)[O-] ZINC001322701709 960295919 /nfs/dbraw/zinc/29/59/19/960295919.db2.gz OMLOCXLXAJDLEK-UHFFFAOYSA-N 1 0 266.345 1.864 20 5 CDBDRO [NH3+]C1CC2(C1)CC(NC(=O)c1c(F)cccc1[N+](=O)[O-])C2 ZINC001341978539 963600627 /nfs/dbraw/zinc/60/06/27/963600627.db2.gz YHNBGCASATUQGZ-UHFFFAOYSA-N 1 0 293.298 1.734 20 5 CDBDRO C[C@@]([NH3+])(C(=O)NC/C=C/Cl)c1cccc([N+](=O)[O-])c1 ZINC001342295137 963700377 /nfs/dbraw/zinc/70/03/77/963700377.db2.gz ZWEHUDLQMWURIJ-UXONFWTHSA-N 1 0 283.715 1.637 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC001345810051 964822728 /nfs/dbraw/zinc/82/27/28/964822728.db2.gz OFLVHPLBVRVALS-BXKDBHETSA-N 1 0 292.339 1.446 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001345810937 964823278 /nfs/dbraw/zinc/82/32/78/964823278.db2.gz WFLOVQIBMFFYIX-LLVKDONJSA-N 1 0 279.340 1.642 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1NC ZINC001349403088 966338034 /nfs/dbraw/zinc/33/80/34/966338034.db2.gz IIYWBSPDOQHPAS-MRVPVSSYSA-N 1 0 266.301 1.104 20 5 CDBDRO [NH3+]CC[C@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC001358251779 969713450 /nfs/dbraw/zinc/71/34/50/969713450.db2.gz QZMCTOGKIDYVMK-NSHDSACASA-N 1 0 293.323 1.171 20 5 CDBDRO Cc1cc(NC(=O)CO[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC001515789551 969917559 /nfs/dbraw/zinc/91/75/59/969917559.db2.gz RFYZMJMXJZFYOW-ZDUSSCGKSA-N 1 0 293.323 1.610 20 5 CDBDRO C[C@@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001522745590 970547522 /nfs/dbraw/zinc/54/75/22/970547522.db2.gz VUFRAOKHICFTDG-ZYHUDNBSSA-N 1 0 293.323 1.151 20 5 CDBDRO CC[NH2+][C@@H](C)C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001523389385 970706959 /nfs/dbraw/zinc/70/69/59/970706959.db2.gz NPOKKJIDDWNZEZ-QWRGUYRKSA-N 1 0 279.340 1.813 20 5 CDBDRO CC(C)C[C@@H]([NH3+])C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001573505345 1170677199 /nfs/dbraw/zinc/67/71/99/1170677199.db2.gz ZTUVWEDYDHAAQQ-GFCCVEGCSA-N 1 0 277.324 1.857 20 5 CDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[NH2+]1 ZINC001574323406 1170949125 /nfs/dbraw/zinc/94/91/25/1170949125.db2.gz AFNHHKHWUHRSAR-ZDUSSCGKSA-N 1 0 277.324 1.396 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001576087439 1171329436 /nfs/dbraw/zinc/32/94/36/1171329436.db2.gz AMVUWIYZHSKABO-JGVFFNPUSA-N 1 0 281.287 1.606 20 5 CDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601006441 342458682 /nfs/dbraw/zinc/45/86/82/342458682.db2.gz XTJCJZLCTMDHBP-SNVBAGLBSA-N 1 0 295.314 1.806 20 5 CDBDRO C[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000601034559 342460388 /nfs/dbraw/zinc/46/03/88/342460388.db2.gz CFHJELMXGIGHOU-SECBINFHSA-N 1 0 295.314 1.946 20 5 CDBDRO C[C@@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000124351447 187133964 /nfs/dbraw/zinc/13/39/64/187133964.db2.gz PXHPFMCNGDXZQY-CYBMUJFWSA-N 1 0 250.298 1.942 20 5 CDBDRO CCN(CCOC)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589494306 342507866 /nfs/dbraw/zinc/50/78/66/342507866.db2.gz NOEJGBCIRANEMI-UHFFFAOYSA-N 1 0 296.323 1.850 20 5 CDBDRO CN(CCCC[NH+](C)C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000611528444 346812972 /nfs/dbraw/zinc/81/29/72/346812972.db2.gz PZZAAPBLQQSTSC-UHFFFAOYSA-N 1 0 294.355 1.591 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCC[NH+](C)C ZINC000042921731 342001347 /nfs/dbraw/zinc/00/13/47/342001347.db2.gz WLHFOHQDFSMXBJ-UHFFFAOYSA-N 1 0 294.355 1.688 20 5 CDBDRO C[NH+](C)CC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000048976666 342557067 /nfs/dbraw/zinc/55/70/67/342557067.db2.gz WZFWFLMPTZUSAA-UHFFFAOYSA-N 1 0 264.329 1.768 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCN2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000601326648 342553830 /nfs/dbraw/zinc/55/38/30/342553830.db2.gz FUIONUJOLIGTFG-JQWIXIFHSA-N 1 0 263.297 1.020 20 5 CDBDRO CNc1ccc(C(=O)N[C@@H]2C[C@@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC001578755087 1171995509 /nfs/dbraw/zinc/99/55/09/1171995509.db2.gz ROYPCVXFBCPPRJ-VXGBXAGGSA-N 1 0 292.339 1.492 20 5 CDBDRO CC[C@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H](C)O ZINC000590659868 342581460 /nfs/dbraw/zinc/58/14/60/342581460.db2.gz LBIIMZDKYQLEBQ-KOLCDFICSA-N 1 0 296.323 1.615 20 5 CDBDRO O=[N+]([O-])c1sccc1NC[C@@H]1CCC[N@H+]1CCCO ZINC000590708004 342585246 /nfs/dbraw/zinc/58/52/46/342585246.db2.gz FMRHUJRNLCGMOY-JTQLQIEISA-N 1 0 285.369 1.915 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000237490869 342060330 /nfs/dbraw/zinc/06/03/30/342060330.db2.gz CMTJQEQZLUTRFK-AAEUAGOBSA-N 1 0 291.351 1.866 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCC3(O)CCC3)CC2)n1 ZINC000591033403 342613993 /nfs/dbraw/zinc/61/39/93/342613993.db2.gz CZMNGMPONWPPGL-UHFFFAOYSA-N 1 0 294.355 1.733 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@@]3(CC[NH2+]C3)C2)c(F)c1 ZINC000591434302 342631405 /nfs/dbraw/zinc/63/14/05/342631405.db2.gz HQGFBWHCFOKMRW-GFCCVEGCSA-N 1 0 266.276 1.319 20 5 CDBDRO [NH3+]C[C@H]1CCCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000591303504 342624682 /nfs/dbraw/zinc/62/46/82/342624682.db2.gz FPMSYPASOFSOCL-SECBINFHSA-N 1 0 296.302 1.937 20 5 CDBDRO Cc1c(CC(=O)N2CC[NH2+]CC2(C)C)cccc1[N+](=O)[O-] ZINC000591678319 342641579 /nfs/dbraw/zinc/64/15/79/342641579.db2.gz NEJNFOMWTDJLFL-UHFFFAOYSA-N 1 0 291.351 1.656 20 5 CDBDRO CC(C)(C(=O)NCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000591679240 342641765 /nfs/dbraw/zinc/64/17/65/342641765.db2.gz QZJHTRIIDBOGCY-UHFFFAOYSA-N 1 0 291.351 1.741 20 5 CDBDRO CN(CC[NH+](C)C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611709936 346855999 /nfs/dbraw/zinc/85/59/99/346855999.db2.gz XXIIRUWVKKXCAF-UHFFFAOYSA-N 1 0 275.312 1.536 20 5 CDBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccc(F)cc1[N+](=O)[O-] ZINC000294970117 199275837 /nfs/dbraw/zinc/27/58/37/199275837.db2.gz XIHNRFYQMJSCBL-NSHDSACASA-N 1 0 295.314 1.996 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000592543912 342708640 /nfs/dbraw/zinc/70/86/40/342708640.db2.gz XTRYIOAFIATCLA-GFCCVEGCSA-N 1 0 291.351 1.973 20 5 CDBDRO C[C@@H]1[C@H](C(=O)NCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000592752980 342721951 /nfs/dbraw/zinc/72/19/51/342721951.db2.gz RPDPXPKTSQYBFB-ZYHUDNBSSA-N 1 0 277.324 1.551 20 5 CDBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000593249279 342781085 /nfs/dbraw/zinc/78/10/85/342781085.db2.gz PMPGEBBXSFDBTD-UHFFFAOYSA-N 1 0 294.355 1.491 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC(C)(C)C[NH+](C)C ZINC000573560130 361897399 /nfs/dbraw/zinc/89/73/99/361897399.db2.gz JWJAWOBBTMHPOV-UHFFFAOYSA-N 1 0 268.317 1.003 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593467085 342803976 /nfs/dbraw/zinc/80/39/76/342803976.db2.gz NCVVCWIVYXEDBB-JTQLQIEISA-N 1 0 297.330 1.733 20 5 CDBDRO C[C@H]([NH2+]C[C@@H]1COCCN1)c1ccc([N+](=O)[O-])cc1 ZINC000600707965 342243338 /nfs/dbraw/zinc/24/33/38/342243338.db2.gz CERFVIVJSCTBHU-CMPLNLGQSA-N 1 0 265.313 1.234 20 5 CDBDRO C[N@H+](CC(=O)NCc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000600817730 342250984 /nfs/dbraw/zinc/25/09/84/342250984.db2.gz UTPJWZCUSZWNPB-UHFFFAOYSA-N 1 0 277.324 1.695 20 5 CDBDRO O=C1CCC[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])N1 ZINC000594503988 342914537 /nfs/dbraw/zinc/91/45/37/342914537.db2.gz LCWGXDSZMXCTCP-MFKMUULPSA-N 1 0 289.335 1.840 20 5 CDBDRO NC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594522143 342917374 /nfs/dbraw/zinc/91/73/74/342917374.db2.gz YFLYXDJZSKLQEO-NRUUGDAUSA-N 1 0 289.335 1.826 20 5 CDBDRO CCC[C@@H]([NH3+])c1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594650552 342932574 /nfs/dbraw/zinc/93/25/74/342932574.db2.gz XSAJHPBQKYYUAF-SECBINFHSA-N 1 0 262.273 1.370 20 5 CDBDRO CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(C)(C)[NH3+] ZINC000594734886 342950060 /nfs/dbraw/zinc/95/00/60/342950060.db2.gz GGXLUBOGLRFEAU-UHFFFAOYSA-N 1 0 295.339 1.535 20 5 CDBDRO [NH3+]CC1(C(=O)NCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000127947289 342292334 /nfs/dbraw/zinc/29/23/34/342292334.db2.gz NGBYFBSSCXKNTI-UHFFFAOYSA-N 1 0 277.324 1.730 20 5 CDBDRO C[C@H](NC(=O)NCCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000057440255 349740307 /nfs/dbraw/zinc/74/03/07/349740307.db2.gz FNLNJZXLGLMMST-NSHDSACASA-N 1 0 294.355 1.907 20 5 CDBDRO COc1cc(C(=O)N[C@@]2(C)CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000214394975 349746721 /nfs/dbraw/zinc/74/67/21/349746721.db2.gz OJOXXSHAAYOLBY-ZDUSSCGKSA-N 1 0 279.296 1.085 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000595264458 343015600 /nfs/dbraw/zinc/01/56/00/343015600.db2.gz YIEWEGAXSQRXPA-VIFPVBQESA-N 1 0 266.301 1.002 20 5 CDBDRO COc1ccc(NC(=O)N(C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000415444972 536787648 /nfs/dbraw/zinc/78/76/48/536787648.db2.gz SAKCBOZYRAQUNX-MRVPVSSYSA-N 1 0 282.300 1.414 20 5 CDBDRO CCc1nn(C)c(NC[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000091562510 349778614 /nfs/dbraw/zinc/77/86/14/349778614.db2.gz IYUGTZQZFQBIBL-JTQLQIEISA-N 1 0 293.371 1.787 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H]1CC[NH3+] ZINC000404276452 349769484 /nfs/dbraw/zinc/76/94/84/349769484.db2.gz BAQQQTYIBKQDNR-ZYHUDNBSSA-N 1 0 294.355 1.523 20 5 CDBDRO CCCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000076268321 342320366 /nfs/dbraw/zinc/32/03/66/342320366.db2.gz KPOPZOVLWVRIIQ-UHFFFAOYSA-N 1 0 294.359 1.643 20 5 CDBDRO Cc1noc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000595519757 343074892 /nfs/dbraw/zinc/07/48/92/343074892.db2.gz CDQMSYLERDVRBZ-DGCLKSJQSA-N 1 0 295.339 1.778 20 5 CDBDRO Cc1ccc(C[NH2+]CC2(O)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000077450612 342330468 /nfs/dbraw/zinc/33/04/68/342330468.db2.gz PYBBVWURPBWVNU-UHFFFAOYSA-N 1 0 293.367 1.450 20 5 CDBDRO Cc1cnc(NCC2([NH+](C)C)CCOCC2)c([N+](=O)[O-])c1 ZINC000078663532 342339332 /nfs/dbraw/zinc/33/93/32/342339332.db2.gz VZBWYFKQFRAIQB-UHFFFAOYSA-N 1 0 294.355 1.821 20 5 CDBDRO Cc1c(C[NH2+]C2(C(N)=O)CCOCC2)cccc1[N+](=O)[O-] ZINC000595729108 343141009 /nfs/dbraw/zinc/14/10/09/343141009.db2.gz QIJADTIRHHQMRR-UHFFFAOYSA-N 1 0 293.323 1.027 20 5 CDBDRO [NH3+]C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000595966722 343198522 /nfs/dbraw/zinc/19/85/22/343198522.db2.gz MXNIHMVXOVRJLW-UHFFFAOYSA-N 1 0 277.324 1.525 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000595984020 343211509 /nfs/dbraw/zinc/21/15/09/343211509.db2.gz TXYLITJKYPMLJP-JTQLQIEISA-N 1 0 281.312 1.088 20 5 CDBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])CC(C)(C)[NH3+] ZINC000595900321 343186682 /nfs/dbraw/zinc/18/66/82/343186682.db2.gz ZDUCHBJXTZHABD-UHFFFAOYSA-N 1 0 255.293 1.903 20 5 CDBDRO C[NH+](C)CCSc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596155952 343247654 /nfs/dbraw/zinc/24/76/54/343247654.db2.gz MLBJMKZRXYGRFW-UHFFFAOYSA-N 1 0 269.326 1.347 20 5 CDBDRO C[NH+](C)CC1CN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000596246824 343286282 /nfs/dbraw/zinc/28/62/82/343286282.db2.gz HWYJMBPCMJRWCA-UHFFFAOYSA-N 1 0 293.352 1.597 20 5 CDBDRO O=c1[nH]ccc(N2CCC([NH2+]C3CC3)CC2)c1[N+](=O)[O-] ZINC000596167522 343257974 /nfs/dbraw/zinc/25/79/74/343257974.db2.gz JAKBCRLOCGKXHB-UHFFFAOYSA-N 1 0 278.312 1.416 20 5 CDBDRO CO[C@@]1(C)C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000090538915 342396617 /nfs/dbraw/zinc/39/66/17/342396617.db2.gz MHDCEYVMTGKKID-AAEUAGOBSA-N 1 0 282.344 1.585 20 5 CDBDRO Cc1ccc(N2CCC([NH2+]CCO)CC2)c([N+](=O)[O-])c1 ZINC000092689493 342416766 /nfs/dbraw/zinc/41/67/66/342416766.db2.gz FCRWAQZFNQNZQD-UHFFFAOYSA-N 1 0 279.340 1.454 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000596817942 343399332 /nfs/dbraw/zinc/39/93/32/343399332.db2.gz VRIFGRAJKKYMFH-SNVBAGLBSA-N 1 0 293.327 1.018 20 5 CDBDRO CCC[N@@H+]1CC[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000596817931 343399360 /nfs/dbraw/zinc/39/93/60/343399360.db2.gz VRIFGRAJKKYMFH-JTQLQIEISA-N 1 0 293.327 1.018 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC(C)(C)C[NH+](C)C ZINC000457211256 365767696 /nfs/dbraw/zinc/76/76/96/365767696.db2.gz RAEXQBTWWLRZLO-UHFFFAOYSA-N 1 0 279.340 1.973 20 5 CDBDRO Cc1cc(C(=O)N2CC(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000597709601 343607043 /nfs/dbraw/zinc/60/70/43/343607043.db2.gz ZUVPOIZLILFDQC-UHFFFAOYSA-N 1 0 277.324 1.537 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[C@H](C)[NH+](C)C ZINC000597990988 343681854 /nfs/dbraw/zinc/68/18/54/343681854.db2.gz BZYBDILPCIWZIQ-NSHDSACASA-N 1 0 279.340 1.973 20 5 CDBDRO C[C@H](CCNC(=O)COc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000597996565 343684524 /nfs/dbraw/zinc/68/45/24/343684524.db2.gz JEWASQDKZNYACX-LLVKDONJSA-N 1 0 295.339 1.430 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000598342213 343771096 /nfs/dbraw/zinc/77/10/96/343771096.db2.gz KKIVWYAEFVXFFO-SNVBAGLBSA-N 1 0 295.314 1.948 20 5 CDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000598667789 343855853 /nfs/dbraw/zinc/85/58/53/343855853.db2.gz KJGMMLHYJXVKQL-HZMBPMFUSA-N 1 0 275.308 1.548 20 5 CDBDRO CC(C)[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000598578192 343834018 /nfs/dbraw/zinc/83/40/18/343834018.db2.gz ZSTNKZYHHBOTMU-AWEZNQCLSA-N 1 0 291.351 1.594 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000598668737 343871753 /nfs/dbraw/zinc/87/17/53/343871753.db2.gz ZRYDPYUJMBTKGO-IAQYHMDHSA-N 1 0 289.335 1.857 20 5 CDBDRO CC1CC(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000598729239 343887678 /nfs/dbraw/zinc/88/76/78/343887678.db2.gz HOLYLPGKTPEBPG-BPCQOVAHSA-N 1 0 294.351 1.970 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915976 343920085 /nfs/dbraw/zinc/92/00/85/343920085.db2.gz RTBPONAPYYLOMH-UHFFFAOYSA-N 1 0 284.291 1.807 20 5 CDBDRO CCC(CC)[NH2+]CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000599096991 343953770 /nfs/dbraw/zinc/95/37/70/343953770.db2.gz DCRHULBLBGRPPE-UHFFFAOYSA-N 1 0 266.345 1.910 20 5 CDBDRO COC[C@H](O)CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000231604284 362329032 /nfs/dbraw/zinc/32/90/32/362329032.db2.gz KYMAEEYUHMMBBX-GFCCVEGCSA-N 1 0 268.313 1.390 20 5 CDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])o1)C1CC[NH+](C)CC1 ZINC000599985783 344160155 /nfs/dbraw/zinc/16/01/55/344160155.db2.gz IMIIMGOHBQCYIB-UHFFFAOYSA-N 1 0 281.312 1.744 20 5 CDBDRO C[NH2+]CCCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417934681 529968395 /nfs/dbraw/zinc/96/83/95/529968395.db2.gz FVAIQPKYIFRMNH-UHFFFAOYSA-N 1 0 280.328 1.046 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000127227121 187290307 /nfs/dbraw/zinc/29/03/07/187290307.db2.gz UYXGBYXTKNUPNT-SYTKJHMZSA-N 1 0 275.308 1.428 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601973909 344300721 /nfs/dbraw/zinc/30/07/21/344300721.db2.gz JKUUYZDPLMLPAK-DOMZBBRYSA-N 1 0 289.335 1.396 20 5 CDBDRO CC[NH2+][C@H](C)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000602444296 344430970 /nfs/dbraw/zinc/43/09/70/344430970.db2.gz FNGTYQIYGBIFFX-SECBINFHSA-N 1 0 281.312 1.218 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000602595303 344502476 /nfs/dbraw/zinc/50/24/76/344502476.db2.gz HOKPDIAAVXFGCC-GMSGAONNSA-N 1 0 283.715 1.810 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602497137 344441909 /nfs/dbraw/zinc/44/19/09/344441909.db2.gz YDWQWYVECVHNPR-ZETCQYMHSA-N 1 0 255.249 1.201 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602489053 344450236 /nfs/dbraw/zinc/45/02/36/344450236.db2.gz DAUFIFVKVWRJNA-ZDUSSCGKSA-N 1 0 281.287 1.545 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000602590172 344479406 /nfs/dbraw/zinc/47/94/06/344479406.db2.gz IQNHUAADVAGBPC-TXEJJXNPSA-N 1 0 275.308 1.480 20 5 CDBDRO C[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)[NH+](C)C ZINC000602593031 344481411 /nfs/dbraw/zinc/48/14/11/344481411.db2.gz GPROXQFMCWGUQZ-SECBINFHSA-N 1 0 278.312 1.776 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C/C=C\CO)CC2)cn1 ZINC000602712020 344552591 /nfs/dbraw/zinc/55/25/91/344552591.db2.gz WSUQHHZSYWAQMU-UPHRSURJSA-N 1 0 292.339 1.097 20 5 CDBDRO CC[N@@H+]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602772048 344575933 /nfs/dbraw/zinc/57/59/33/344575933.db2.gz NEJYVWFXAFODSO-UHFFFAOYSA-N 1 0 281.360 1.127 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000602800356 344590456 /nfs/dbraw/zinc/59/04/56/344590456.db2.gz LPPWBYXFSLGVLI-STQMWFEESA-N 1 0 294.355 1.458 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CCO)C(C)(C)C ZINC000602803576 344592044 /nfs/dbraw/zinc/59/20/44/344592044.db2.gz CUBYUSHLBCMWAK-LLVKDONJSA-N 1 0 284.360 1.486 20 5 CDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)C[NH+]1CCCC1 ZINC000603970932 344849155 /nfs/dbraw/zinc/84/91/55/344849155.db2.gz PGDZQYUGFIPPSG-NSHDSACASA-N 1 0 294.355 1.395 20 5 CDBDRO CNC(=O)CN1CCC(Nc2ccsc2[N+](=O)[O-])CC1 ZINC000604432701 344890417 /nfs/dbraw/zinc/89/04/17/344890417.db2.gz RXWLJUNJLMASNU-UHFFFAOYSA-N 1 0 298.368 1.279 20 5 CDBDRO C[C@@H](CNc1c([N+](=O)[O-])ncn1C)C[NH+]1CCCCC1 ZINC000037999284 344985267 /nfs/dbraw/zinc/98/52/67/344985267.db2.gz UWTBLXDEDMEZKN-NSHDSACASA-N 1 0 281.360 1.862 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)cc1[N+](=O)[O-] ZINC000292770933 362505854 /nfs/dbraw/zinc/50/58/54/362505854.db2.gz SQWBABMWSRBSQI-OLZOCXBDSA-N 1 0 280.324 1.533 20 5 CDBDRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000344041518 362539509 /nfs/dbraw/zinc/53/95/09/362539509.db2.gz WBNSDNNKDMTSAT-SCRDCRAPSA-N 1 0 292.335 1.806 20 5 CDBDRO COCC[NH+](CCOC)Cc1cccc([N+](=O)[O-])c1C ZINC000051372003 345109243 /nfs/dbraw/zinc/10/92/43/345109243.db2.gz UDGFVOHUTZJEAP-UHFFFAOYSA-N 1 0 282.340 1.998 20 5 CDBDRO Cc1nn(C)c(N2CCC[C@@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000609595486 345822470 /nfs/dbraw/zinc/82/24/70/345822470.db2.gz BXAKYBKEHVGGCD-LLVKDONJSA-N 1 0 281.360 1.604 20 5 CDBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000047920869 345971722 /nfs/dbraw/zinc/97/17/22/345971722.db2.gz DWVKIJVYJSDHAY-CQSZACIVSA-N 1 0 291.351 1.594 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000089107268 346123926 /nfs/dbraw/zinc/12/39/26/346123926.db2.gz PNPHVYUEYOCCHO-ONGXEEELSA-N 1 0 280.328 1.181 20 5 CDBDRO O=[N+]([O-])c1ncccc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000610077111 346167909 /nfs/dbraw/zinc/16/79/09/346167909.db2.gz DWJSPJRROACBSN-LBPRGKRZSA-N 1 0 276.340 1.912 20 5 CDBDRO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000610506702 346297969 /nfs/dbraw/zinc/29/79/69/346297969.db2.gz NLODECZALLVLOL-OLZOCXBDSA-N 1 0 275.308 1.448 20 5 CDBDRO O=[N+]([O-])c1ccsc1N1CCN(C[C@H]2CCCO2)CC1 ZINC000611411001 346779334 /nfs/dbraw/zinc/77/93/34/346779334.db2.gz HLGCVQSYMKBHNO-LLVKDONJSA-N 1 0 297.380 1.957 20 5 CDBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])nc3)[C@@H]2C1 ZINC000611510289 346800930 /nfs/dbraw/zinc/80/09/30/346800930.db2.gz HMHXTXJJYNALCV-CMPLNLGQSA-N 1 0 262.313 1.520 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CCOC1)CC2 ZINC000088606156 347234327 /nfs/dbraw/zinc/23/43/27/347234327.db2.gz LUXUCQDQVZTUTH-LLVKDONJSA-N 1 0 262.309 1.989 20 5 CDBDRO COc1cc(C(=O)NC[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000293635117 362797786 /nfs/dbraw/zinc/79/77/86/362797786.db2.gz CYGAEFLQVUJODP-SNVBAGLBSA-N 1 0 295.339 1.531 20 5 CDBDRO CC(C)[NH2+][C@@H]1CCCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000612779442 347282216 /nfs/dbraw/zinc/28/22/16/347282216.db2.gz VDQFWSQWSMPFRL-SNVBAGLBSA-N 1 0 265.317 1.352 20 5 CDBDRO C[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000058842275 347393563 /nfs/dbraw/zinc/39/35/63/347393563.db2.gz TVUJKJNFOQDGAK-VIFPVBQESA-N 1 0 283.353 1.870 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000418414614 535070675 /nfs/dbraw/zinc/07/06/75/535070675.db2.gz SYCSHRGQHYHFMH-GFCCVEGCSA-N 1 0 294.355 1.720 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000068470736 349068356 /nfs/dbraw/zinc/06/83/56/349068356.db2.gz CCRVKCLWMJQBSX-LLVKDONJSA-N 1 0 279.340 1.594 20 5 CDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111010466 349220273 /nfs/dbraw/zinc/22/02/73/349220273.db2.gz DVCGEWNFTQARFH-SECBINFHSA-N 1 0 297.742 1.978 20 5 CDBDRO CN1CCO[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000105471989 186059565 /nfs/dbraw/zinc/05/95/65/186059565.db2.gz UXYGTEVTASSCDA-ZDUSSCGKSA-N 1 0 265.313 1.015 20 5 CDBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000105821516 186075043 /nfs/dbraw/zinc/07/50/43/186075043.db2.gz GUWJGRATUCMPAO-CHWSQXEVSA-N 1 0 293.367 1.482 20 5 CDBDRO CNc1c(C(=O)N2CCC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000161402720 362957418 /nfs/dbraw/zinc/95/74/18/362957418.db2.gz VWYWYGVQGFRBQJ-UHFFFAOYSA-N 1 0 292.339 1.414 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364178458 362961801 /nfs/dbraw/zinc/96/18/01/362961801.db2.gz SBPNKSTZTFWHRJ-OCCSQVGLSA-N 1 0 275.308 1.211 20 5 CDBDRO CCCc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000109620557 186267406 /nfs/dbraw/zinc/26/74/06/186267406.db2.gz VQXJOVALNLGLLH-SECBINFHSA-N 1 0 295.343 1.094 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000114013786 350782132 /nfs/dbraw/zinc/78/21/32/350782132.db2.gz GXFBCIIDDSTHOT-UHFFFAOYSA-N 1 0 291.351 1.896 20 5 CDBDRO CC1(C)C(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000092816387 351297545 /nfs/dbraw/zinc/29/75/45/351297545.db2.gz WITKKFJZVJVNMB-LLVKDONJSA-N 1 0 296.371 1.424 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000092136712 351271047 /nfs/dbraw/zinc/27/10/47/351271047.db2.gz KJZJPRYGHKJBME-VIFPVBQESA-N 1 0 251.286 1.067 20 5 CDBDRO CC[C@@H](O)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000124729169 351368694 /nfs/dbraw/zinc/36/86/94/351368694.db2.gz KQBDTDPAAWFYAK-LLVKDONJSA-N 1 0 254.286 1.334 20 5 CDBDRO CSc1ccc(C(=O)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000120288512 186890050 /nfs/dbraw/zinc/89/00/50/186890050.db2.gz DJHMCUIHSAQYFF-SNVBAGLBSA-N 1 0 295.364 1.799 20 5 CDBDRO COC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000123096594 187071082 /nfs/dbraw/zinc/07/10/82/187071082.db2.gz KUCLWELCJOJQAB-UHFFFAOYSA-N 1 0 280.324 1.880 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000122507640 187035976 /nfs/dbraw/zinc/03/59/76/187035976.db2.gz HEYCEGPYPHHGPE-UHFFFAOYSA-N 1 0 254.290 1.170 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC3(O)CCC3)CC2)n1 ZINC000516614881 363169298 /nfs/dbraw/zinc/16/92/98/363169298.db2.gz JIRNKTQCMPAVEH-UHFFFAOYSA-N 1 0 280.328 1.343 20 5 CDBDRO CCOc1ccc([C@H](C)[NH2+]CCOCCO)cc1[N+](=O)[O-] ZINC000152624652 188033546 /nfs/dbraw/zinc/03/35/46/188033546.db2.gz RJKSYOVKDXDVLB-NSHDSACASA-N 1 0 298.339 1.653 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH+]2C[C@H]3CCC[C@@H]3C2)n1 ZINC000153381407 188079379 /nfs/dbraw/zinc/07/93/79/188079379.db2.gz BNBACPBHQUDRDA-GHMZBOCLSA-N 1 0 250.302 1.523 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154278149 188133452 /nfs/dbraw/zinc/13/34/52/188133452.db2.gz AMIKFJGVODYHHX-DOMZBBRYSA-N 1 0 293.367 1.512 20 5 CDBDRO C[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000156588852 188271377 /nfs/dbraw/zinc/27/13/77/188271377.db2.gz IAOVQNYKIUIDFI-ZJUUUORDSA-N 1 0 265.313 1.537 20 5 CDBDRO COc1cc(C(=O)NCC[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000156695949 188277383 /nfs/dbraw/zinc/27/73/83/188277383.db2.gz XQLJNURAOSGWMB-MRVPVSSYSA-N 1 0 267.285 1.071 20 5 CDBDRO CCC[C@@H]1C(=O)NCCN1Cc1ccccc1[N+](=O)[O-] ZINC000152318049 363260388 /nfs/dbraw/zinc/26/03/88/363260388.db2.gz XTAVPPOTBWEZES-CYBMUJFWSA-N 1 0 277.324 1.695 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)cc1 ZINC000411984274 363396394 /nfs/dbraw/zinc/39/63/94/363396394.db2.gz CKWYEWKZVAPKOJ-OCCSQVGLSA-N 1 0 280.324 1.472 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC([NH+](C)C)C1 ZINC000272372934 191684599 /nfs/dbraw/zinc/68/45/99/191684599.db2.gz SGQHZCCUAYVBQH-UHFFFAOYSA-N 1 0 278.312 1.681 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000286084371 356214848 /nfs/dbraw/zinc/21/48/48/356214848.db2.gz MUJQMJWDJZSBQR-VYUIOLGVSA-N 1 0 293.323 1.417 20 5 CDBDRO CC(C)NC(=O)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000134477452 356322248 /nfs/dbraw/zinc/32/22/48/356322248.db2.gz ZXARUJNWFYTWHP-UHFFFAOYSA-N 1 0 271.342 1.661 20 5 CDBDRO C[NH+](C)CCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134478115 356323029 /nfs/dbraw/zinc/32/30/29/356323029.db2.gz MCUFBWXKAQKDTC-UHFFFAOYSA-N 1 0 285.731 1.930 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CC[C@H]1CC[NH2+]C1 ZINC000134516795 356333364 /nfs/dbraw/zinc/33/33/64/356333364.db2.gz XVKLUPATYJFTDW-LBPRGKRZSA-N 1 0 291.351 1.943 20 5 CDBDRO CC(C)(CN1CCOCC1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000308638350 356330153 /nfs/dbraw/zinc/33/01/53/356330153.db2.gz FYHDPGDDUDHSIY-UHFFFAOYSA-N 1 0 293.367 1.795 20 5 CDBDRO C[N@@H+]1C[C@@H]2CCCN(c3ccncc3[N+](=O)[O-])[C@@H]2C1 ZINC000425290848 283206108 /nfs/dbraw/zinc/20/61/08/283206108.db2.gz YGJNVCUMCQJNQE-GXFFZTMASA-N 1 0 262.313 1.520 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000163603278 356938073 /nfs/dbraw/zinc/93/80/73/356938073.db2.gz KNRIXPWKHVNEQD-GXFFZTMASA-N 1 0 291.351 1.960 20 5 CDBDRO CCCN(CC[NH+](C)C)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000104531254 283231266 /nfs/dbraw/zinc/23/12/66/283231266.db2.gz IHDGRSHRYMUUOO-UHFFFAOYSA-N 1 0 297.359 1.051 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000379677569 357213641 /nfs/dbraw/zinc/21/36/41/357213641.db2.gz HNOCPBVLWZGCJO-QDZRJHCZSA-N 1 0 275.308 1.558 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000261838032 357331686 /nfs/dbraw/zinc/33/16/86/357331686.db2.gz VZEPYXZRHDMUJL-SNVBAGLBSA-N 1 0 265.313 1.252 20 5 CDBDRO Cc1cnc(OCCCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000181322711 357335029 /nfs/dbraw/zinc/33/50/29/357335029.db2.gz HERLWLZUQRVKMX-UHFFFAOYSA-N 1 0 294.355 1.315 20 5 CDBDRO C[NH2+]CCC1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000261974652 357349331 /nfs/dbraw/zinc/34/93/31/357349331.db2.gz FKPXVIWZIAAFDC-UHFFFAOYSA-N 1 0 281.360 1.150 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000186723989 357678707 /nfs/dbraw/zinc/67/87/07/357678707.db2.gz HNDNIEWDLMLIHE-SMDDNHRTSA-N 1 0 291.351 1.642 20 5 CDBDRO CN(c1ncc([N+](=O)[O-])cc1Cl)[C@H]1CC[NH2+]C1 ZINC000234312012 357682113 /nfs/dbraw/zinc/68/21/13/357682113.db2.gz GJAZRJYEFHXBPQ-ZETCQYMHSA-N 1 0 256.693 1.441 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)cc1 ZINC000360767340 357684573 /nfs/dbraw/zinc/68/45/73/357684573.db2.gz UJPQHKQSMQXYBZ-OLZOCXBDSA-N 1 0 280.324 1.329 20 5 CDBDRO Cn1c(C(=O)N[C@@H]2C[C@@H]2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000361081822 357793932 /nfs/dbraw/zinc/79/39/32/357793932.db2.gz SONTUTXITZGENV-GHMZBOCLSA-N 1 0 292.339 1.051 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000135236359 357809158 /nfs/dbraw/zinc/80/91/58/357809158.db2.gz HMSRLNJTHYPXEB-GZMMTYOYSA-N 1 0 281.287 1.543 20 5 CDBDRO CC[NH2+]CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000036282007 357827637 /nfs/dbraw/zinc/82/76/37/357827637.db2.gz YUYYMLJRYCVSGC-UHFFFAOYSA-N 1 0 265.313 1.253 20 5 CDBDRO C[C@H]([NH2+]CCN(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294384171 199019468 /nfs/dbraw/zinc/01/94/68/199019468.db2.gz RNSJNFFGLVQIRM-VIFPVBQESA-N 1 0 252.318 1.389 20 5 CDBDRO Cc1cc(NC(=O)N2CC[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC001579630357 1172228133 /nfs/dbraw/zinc/22/81/33/1172228133.db2.gz QBNLBYQDNACIFZ-VIFPVBQESA-N 1 0 264.285 1.468 20 5 CDBDRO COc1cc(C(=O)NC[C@H](C)[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000294567782 199090419 /nfs/dbraw/zinc/09/04/19/199090419.db2.gz ZTZDYMUAWRWWSZ-QMMMGPOBSA-N 1 0 299.302 1.422 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000361362260 358170016 /nfs/dbraw/zinc/17/00/16/358170016.db2.gz QOYZZXVDKISEMR-CYBMUJFWSA-N 1 0 293.323 1.644 20 5 CDBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000193632522 358311173 /nfs/dbraw/zinc/31/11/73/358311173.db2.gz UNJOXUJOIBWXSW-ZWNOBZJWSA-N 1 0 293.323 1.088 20 5 CDBDRO CSc1ccc(C(=O)N[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000287309030 358386897 /nfs/dbraw/zinc/38/68/97/358386897.db2.gz WBHCRQBFWKYFHX-VIFPVBQESA-N 1 0 297.380 1.997 20 5 CDBDRO CC[NH2+]CCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000567596193 358705123 /nfs/dbraw/zinc/70/51/23/358705123.db2.gz DWLHUAMOYQSGGS-UHFFFAOYSA-N 1 0 292.339 1.272 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000186837596 358830159 /nfs/dbraw/zinc/83/01/59/358830159.db2.gz IDKTUWLISIRRAO-BXKDBHETSA-N 1 0 263.297 1.323 20 5 CDBDRO COC[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084440171 358877860 /nfs/dbraw/zinc/87/78/60/358877860.db2.gz FXGZSFDBGYOZQF-JTQLQIEISA-N 1 0 274.704 1.345 20 5 CDBDRO CO[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000234897569 358923525 /nfs/dbraw/zinc/92/35/25/358923525.db2.gz MLVCZQUFSBBLGF-JTQLQIEISA-N 1 0 254.261 1.955 20 5 CDBDRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000342420718 359049461 /nfs/dbraw/zinc/04/94/61/359049461.db2.gz OAHHTPYEVSYCFN-SKDRFNHKSA-N 1 0 284.337 1.118 20 5 CDBDRO Cc1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000342412254 359047295 /nfs/dbraw/zinc/04/72/95/359047295.db2.gz DIHVEOHQOWVNDX-JQWIXIFHSA-N 1 0 298.364 1.426 20 5 CDBDRO C[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000342413720 359047544 /nfs/dbraw/zinc/04/75/44/359047544.db2.gz IZULWWYCVUOSMO-CABZTGNLSA-N 1 0 284.337 1.118 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC([NH2+]CC2CC2)CC1 ZINC000127503725 359121513 /nfs/dbraw/zinc/12/15/13/359121513.db2.gz STPLUBCATPRTFV-UHFFFAOYSA-N 1 0 292.339 1.527 20 5 CDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000127614233 359161558 /nfs/dbraw/zinc/16/15/58/359161558.db2.gz APIGBWBYSRFUQC-MNOVXSKESA-N 1 0 293.298 1.700 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161971153 359352685 /nfs/dbraw/zinc/35/26/85/359352685.db2.gz ZAQFDUFZFZWQDO-NXEZZACHSA-N 1 0 293.323 1.603 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000122329300 283473278 /nfs/dbraw/zinc/47/32/78/283473278.db2.gz YVIYOXCUANQVSB-VIFPVBQESA-N 1 0 267.260 1.297 20 5 CDBDRO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000237071495 363706453 /nfs/dbraw/zinc/70/64/53/363706453.db2.gz LUWVQTPPCSKXKA-GXFFZTMASA-N 1 0 279.340 1.627 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000236163205 283500839 /nfs/dbraw/zinc/50/08/39/283500839.db2.gz FSUUAIMZOSTAPF-MRVPVSSYSA-N 1 0 270.720 1.961 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135238768 283516758 /nfs/dbraw/zinc/51/67/58/283516758.db2.gz OKQLRJQIATVVRD-LDYMZIIASA-N 1 0 281.287 1.591 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000054263868 360065315 /nfs/dbraw/zinc/06/53/15/360065315.db2.gz UDYKVZLAZJMKBW-UHFFFAOYSA-N 1 0 265.313 1.633 20 5 CDBDRO Cc1cc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ncc1[N+](=O)[O-] ZINC000073000484 360073015 /nfs/dbraw/zinc/07/30/15/360073015.db2.gz JLROGEZBNFISDW-VXGBXAGGSA-N 1 0 292.339 1.573 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000408279390 360334301 /nfs/dbraw/zinc/33/43/01/360334301.db2.gz ZTFBREXPQHMAGY-JTQLQIEISA-N 1 0 280.328 1.479 20 5 CDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCOC1 ZINC000178340445 189108453 /nfs/dbraw/zinc/10/84/53/189108453.db2.gz MBOUTHPRDXDYMY-LBPRGKRZSA-N 1 0 280.324 1.942 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000178525689 189123602 /nfs/dbraw/zinc/12/36/02/189123602.db2.gz VCQSOZIUMLQBTC-VIFPVBQESA-N 1 0 279.296 1.024 20 5 CDBDRO CC1(C)CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544700361 360800952 /nfs/dbraw/zinc/80/09/52/360800952.db2.gz OPYASWWCJCGSKA-NSHDSACASA-N 1 0 280.324 1.819 20 5 CDBDRO Cc1cc(C(=O)N(C)[C@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000179195306 189176245 /nfs/dbraw/zinc/17/62/45/189176245.db2.gz HTKYSSJVMXUROB-SECBINFHSA-N 1 0 251.286 1.322 20 5 CDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000367128295 360926431 /nfs/dbraw/zinc/92/64/31/360926431.db2.gz ZCZGBWQLQYTEGW-OLZOCXBDSA-N 1 0 293.371 1.350 20 5 CDBDRO COCCN(CCO)Cc1cc([N+](=O)[O-])ccc1OC ZINC000134389275 360996618 /nfs/dbraw/zinc/99/66/18/360996618.db2.gz TTXJUDXNAXWCMT-UHFFFAOYSA-N 1 0 284.312 1.044 20 5 CDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1c([N+](=O)[O-])ncn1C ZINC000267667401 360990535 /nfs/dbraw/zinc/99/05/35/360990535.db2.gz OWCDHKGVBHKHGW-NXEZZACHSA-N 1 0 267.333 1.105 20 5 CDBDRO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000035121016 361265318 /nfs/dbraw/zinc/26/53/18/361265318.db2.gz CPNMVJUUQPAWNL-UHFFFAOYSA-N 1 0 279.300 1.885 20 5 CDBDRO COc1ccc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000382422750 361351459 /nfs/dbraw/zinc/35/14/59/361351459.db2.gz CKJVTOQJRADATP-KOLCDFICSA-N 1 0 293.323 1.461 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000237374302 361373324 /nfs/dbraw/zinc/37/33/24/361373324.db2.gz MREVEZVSSPNTDN-QMMMGPOBSA-N 1 0 251.286 1.228 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000236887993 361391699 /nfs/dbraw/zinc/39/16/99/361391699.db2.gz DYSGZSJHAGWYAA-LLVKDONJSA-N 1 0 297.359 1.124 20 5 CDBDRO Cn1c(C(=O)NC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000345751056 361483417 /nfs/dbraw/zinc/48/34/17/361483417.db2.gz CUFFDQZEUZNKFG-UHFFFAOYSA-N 1 0 292.339 1.290 20 5 CDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000019479135 364146578 /nfs/dbraw/zinc/14/65/78/364146578.db2.gz IGCKALXTNPMFGU-AATRIKPKSA-N 1 0 261.281 1.040 20 5 CDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000268139021 364333601 /nfs/dbraw/zinc/33/36/01/364333601.db2.gz KAXCTVQOXIAYDG-GXSJLCMTSA-N 1 0 262.313 1.884 20 5 CDBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC000037302349 364413876 /nfs/dbraw/zinc/41/38/76/364413876.db2.gz AXOMXLRQLQLWFD-UHFFFAOYSA-N 1 0 283.715 1.684 20 5 CDBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000268370192 364768174 /nfs/dbraw/zinc/76/81/74/364768174.db2.gz LZKSKOOPZLEXLB-LLVKDONJSA-N 1 0 294.355 1.631 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](c3ccncc3)C2)n1 ZINC000575426884 364862483 /nfs/dbraw/zinc/86/24/83/364862483.db2.gz CKFYYBNWJGWICN-CYBMUJFWSA-N 1 0 287.323 1.676 20 5 CDBDRO C[C@@](O)(C[NH2+]Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000270456409 366882804 /nfs/dbraw/zinc/88/28/04/366882804.db2.gz DPYQHXOUZWKNRW-SNVBAGLBSA-N 1 0 278.230 1.998 20 5 CDBDRO C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251716179 366874409 /nfs/dbraw/zinc/87/44/09/366874409.db2.gz JRNUASKNQIOYMR-PSASIEDQSA-N 1 0 253.277 1.907 20 5 CDBDRO Cc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457135443 365418432 /nfs/dbraw/zinc/41/84/32/365418432.db2.gz WHDKLFKQMABLJN-SNVBAGLBSA-N 1 0 295.343 1.181 20 5 CDBDRO CCCC[NH+]1CCC(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000121515651 365500168 /nfs/dbraw/zinc/50/01/68/365500168.db2.gz BMWRZTXFGMBPLM-UHFFFAOYSA-N 1 0 295.343 1.312 20 5 CDBDRO C[C@H]([NH3+])CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000442663667 366906156 /nfs/dbraw/zinc/90/61/56/366906156.db2.gz KGJZWSJTDOXMIT-NSHDSACASA-N 1 0 264.329 1.064 20 5 CDBDRO C[C@H]([NH2+]C[C@@H]1CCCNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000459488474 366906447 /nfs/dbraw/zinc/90/64/47/366906447.db2.gz OOSOGZUBKNXKIX-JQWIXIFHSA-N 1 0 277.324 1.772 20 5 CDBDRO CC(C)[N@H+](CCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774637 366979910 /nfs/dbraw/zinc/97/99/10/366979910.db2.gz ZKLPYVDWEKIWCA-UHFFFAOYSA-N 1 0 256.277 1.937 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCCCCC1 ZINC000090512476 367469575 /nfs/dbraw/zinc/46/95/75/367469575.db2.gz CKOKVQOQHGJUCN-UHFFFAOYSA-N 1 0 265.313 1.633 20 5 CDBDRO C[C@H](NC(=O)N1CCC[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417139449 242334752 /nfs/dbraw/zinc/33/47/52/242334752.db2.gz OSHTXIVYFQJIGI-GXFFZTMASA-N 1 0 292.339 1.789 20 5 CDBDRO COc1ccc(C[NH2+][C@@H](C)CCCO)cc1[N+](=O)[O-] ZINC000094943719 367736697 /nfs/dbraw/zinc/73/66/97/367736697.db2.gz RLVHEZPDPXIFLN-JTQLQIEISA-N 1 0 268.313 1.854 20 5 CDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]1 ZINC000417759046 242651680 /nfs/dbraw/zinc/65/16/80/242651680.db2.gz DCXLYHLCCKBWSI-GFCCVEGCSA-N 1 0 292.339 1.189 20 5 CDBDRO NC(=O)c1ccc(N[C@H]2CCCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000089108858 368976783 /nfs/dbraw/zinc/97/67/83/368976783.db2.gz VMFWNJYDEBTUMT-MNOVXSKESA-N 1 0 292.339 1.623 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]C[C@](C)(F)C1 ZINC000420333481 244099088 /nfs/dbraw/zinc/09/90/88/244099088.db2.gz NTOOFJRLQIIYKJ-AWEZNQCLSA-N 1 0 297.330 1.737 20 5 CDBDRO Cc1c(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000168698120 370970179 /nfs/dbraw/zinc/97/01/79/370970179.db2.gz CQJJFRGFXGRACW-WDEREUQCSA-N 1 0 277.324 1.713 20 5 CDBDRO CNC(=O)c1ccc(NCC(C)(C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000053550282 370252938 /nfs/dbraw/zinc/25/29/38/370252938.db2.gz RIINQRVPNIANFB-UHFFFAOYSA-N 1 0 294.355 1.707 20 5 CDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]CC1 ZINC000422703744 245161442 /nfs/dbraw/zinc/16/14/42/245161442.db2.gz NXMAIXXVNYSNIV-UHFFFAOYSA-N 1 0 295.364 1.752 20 5 CDBDRO C[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414958360 371065245 /nfs/dbraw/zinc/06/52/45/371065245.db2.gz WPWJIIVUJKFVQG-WCBMZHEXSA-N 1 0 255.343 1.886 20 5 CDBDRO Cc1sc(C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000266209846 371067705 /nfs/dbraw/zinc/06/77/05/371067705.db2.gz PVUQUVAVDYHTKB-GZMMTYOYSA-N 1 0 297.380 1.987 20 5 CDBDRO COc1ccc(CN[C@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000414932444 371143911 /nfs/dbraw/zinc/14/39/11/371143911.db2.gz RCTLLKLNXZZWMO-JQWIXIFHSA-N 1 0 279.340 1.691 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[N@H+](C)C(C)C ZINC000195314638 372954851 /nfs/dbraw/zinc/95/48/51/372954851.db2.gz SDRFCJYXBPABSB-UHFFFAOYSA-N 1 0 295.339 1.560 20 5 CDBDRO NC(=O)C1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000191482635 373498513 /nfs/dbraw/zinc/49/85/13/373498513.db2.gz BZHVMNKEDLQNTG-HWKANZROSA-N 1 0 261.281 1.216 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000298505783 373742130 /nfs/dbraw/zinc/74/21/30/373742130.db2.gz KQPKDPGGYLXRNZ-NSHDSACASA-N 1 0 265.313 1.631 20 5 CDBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1[N+](=O)[O-] ZINC000368373154 373832156 /nfs/dbraw/zinc/83/21/56/373832156.db2.gz FFUCLCDEEHYEPZ-LBPRGKRZSA-N 1 0 293.298 1.606 20 5 CDBDRO CC[N@H+](CC(=O)NCCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000269704473 373987953 /nfs/dbraw/zinc/98/79/53/373987953.db2.gz RXCSRJSGSSUHRM-UHFFFAOYSA-N 1 0 291.351 1.738 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H](C[NH2+]C)C1 ZINC000091549600 374036063 /nfs/dbraw/zinc/03/60/63/374036063.db2.gz AUIYSPXOMKQYNG-LLVKDONJSA-N 1 0 281.360 1.555 20 5 CDBDRO C[C@@H](CCC[NH3+])NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000311696948 374263978 /nfs/dbraw/zinc/26/39/78/374263978.db2.gz LPLFHTKZRCDEIZ-VIFPVBQESA-N 1 0 287.341 1.001 20 5 CDBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000027772005 374302059 /nfs/dbraw/zinc/30/20/59/374302059.db2.gz ISKNVLQGARPEHM-JTQLQIEISA-N 1 0 281.312 1.792 20 5 CDBDRO C[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000421864320 374337668 /nfs/dbraw/zinc/33/76/68/374337668.db2.gz XQPINKLMUJYUNE-SNVBAGLBSA-N 1 0 277.324 1.901 20 5 CDBDRO COc1ccc(CN[C@@H](C)[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422949285 374364475 /nfs/dbraw/zinc/36/44/75/374364475.db2.gz UUNQORMQDXQFGP-CMPLNLGQSA-N 1 0 279.340 1.834 20 5 CDBDRO Cc1c(CC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000423477400 374382930 /nfs/dbraw/zinc/38/29/30/374382930.db2.gz TYWGZPPQNSUGEL-CMPLNLGQSA-N 1 0 291.351 1.641 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccc([N+](=O)[O-])cc1 ZINC000079927704 374430796 /nfs/dbraw/zinc/43/07/96/374430796.db2.gz GUCLOWLAODBYCW-KOLCDFICSA-N 1 0 263.297 1.524 20 5 CDBDRO NC(=O)C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000377494657 374604816 /nfs/dbraw/zinc/60/48/16/374604816.db2.gz PCPKAKQXRQXQCD-VIFPVBQESA-N 1 0 281.287 1.431 20 5 CDBDRO NC(=O)C[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000377494654 374605637 /nfs/dbraw/zinc/60/56/37/374605637.db2.gz PCPKAKQXRQXQCD-SECBINFHSA-N 1 0 281.287 1.431 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000117982790 374616899 /nfs/dbraw/zinc/61/68/99/374616899.db2.gz IDHLJMLSXDBGGB-UHFFFAOYSA-N 1 0 280.328 1.167 20 5 CDBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000377932083 374623348 /nfs/dbraw/zinc/62/33/48/374623348.db2.gz NABDENJDNJINCC-UHFFFAOYSA-N 1 0 268.317 1.292 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](CO)[C@H]2CCCO2)c1 ZINC000447904372 374721037 /nfs/dbraw/zinc/72/10/37/374721037.db2.gz JWNHACYRUCMUPE-ZIAGYGMSSA-N 1 0 296.323 1.103 20 5 CDBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000124832726 374855641 /nfs/dbraw/zinc/85/56/41/374855641.db2.gz VCHYMYBMJVZNBF-UHFFFAOYSA-N 1 0 296.327 1.013 20 5 CDBDRO C[C@]1(C(N)=O)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000280720786 375015783 /nfs/dbraw/zinc/01/57/83/375015783.db2.gz KFPVAQULWGLRCL-AWEZNQCLSA-N 1 0 277.324 1.335 20 5 CDBDRO Cc1sc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000332702953 375045680 /nfs/dbraw/zinc/04/56/80/375045680.db2.gz XLLJRZDHJHDORA-HTRCEHHLSA-N 1 0 269.326 1.384 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161983024 375248658 /nfs/dbraw/zinc/24/86/58/375248658.db2.gz JBQBZLRBYCITKQ-ZJUUUORDSA-N 1 0 293.323 1.603 20 5 CDBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)C1CC1 ZINC000055718819 375210438 /nfs/dbraw/zinc/21/04/38/375210438.db2.gz OVXGMSOBVYGDFA-VIFPVBQESA-N 1 0 267.285 1.258 20 5 CDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]CC1 ZINC000032049995 375226430 /nfs/dbraw/zinc/22/64/30/375226430.db2.gz ZWDCGQJSQHQFMF-UHFFFAOYSA-N 1 0 281.337 1.119 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000162145860 375282668 /nfs/dbraw/zinc/28/26/68/375282668.db2.gz NEDVTTXCHUJXIT-QWRGUYRKSA-N 1 0 292.339 1.393 20 5 CDBDRO C[C@H]1CSC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000352797201 375540536 /nfs/dbraw/zinc/54/05/36/375540536.db2.gz IFCDJJZXNPQLNG-DTWKUNHWSA-N 1 0 256.331 1.132 20 5 CDBDRO C[C@H]1CCC[C@@H](CO)[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000305193707 375568059 /nfs/dbraw/zinc/56/80/59/375568059.db2.gz DHNMZJKKMRTHJD-QWRGUYRKSA-N 1 0 268.317 1.027 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC(=O)NC1 ZINC000344846460 375620174 /nfs/dbraw/zinc/62/01/74/375620174.db2.gz IVUFQZQJUKRPAM-LWMSPQMPSA-N 1 0 289.335 1.866 20 5 CDBDRO C[C@H](CC(N)=O)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000344888934 375648762 /nfs/dbraw/zinc/64/87/62/375648762.db2.gz OJPOXGDEEISQGX-AYYIZTPMSA-N 1 0 263.297 1.462 20 5 CDBDRO COc1ccc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000227971017 375659829 /nfs/dbraw/zinc/65/98/29/375659829.db2.gz UTSLKGFMKPZJHX-YGRLFVJLSA-N 1 0 296.323 1.233 20 5 CDBDRO Cc1ccnc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000266774116 375670107 /nfs/dbraw/zinc/67/01/07/375670107.db2.gz YXFYECOWCBWWDQ-NEPJUHHUSA-N 1 0 276.340 1.971 20 5 CDBDRO C[NH+](C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)C1CC1 ZINC000344972739 375686207 /nfs/dbraw/zinc/68/62/07/375686207.db2.gz DZFYDPZIEFWWRA-LBPRGKRZSA-N 1 0 292.339 1.247 20 5 CDBDRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000218772375 375878435 /nfs/dbraw/zinc/87/84/35/375878435.db2.gz DAPDXTFEZORUNO-HOSYDEDBSA-N 1 0 270.333 1.176 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](OCCO)C2)cc1 ZINC000172295447 376142530 /nfs/dbraw/zinc/14/25/30/376142530.db2.gz FIWIEJKEAWESNE-CQSZACIVSA-N 1 0 280.324 1.568 20 5 CDBDRO CCC[NH2+][C@@H](C)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000296463519 376161502 /nfs/dbraw/zinc/16/15/02/376161502.db2.gz OWFHDKWOKSTZNE-JTQLQIEISA-N 1 0 295.339 1.608 20 5 CDBDRO COc1ccc(OCCN2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000430670977 247684880 /nfs/dbraw/zinc/68/48/80/247684880.db2.gz WUMCILMRNXCUCU-UHFFFAOYSA-N 1 0 295.339 1.278 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000171498904 376723354 /nfs/dbraw/zinc/72/33/54/376723354.db2.gz TVKVSYOCQQEYMU-SECBINFHSA-N 1 0 297.359 1.097 20 5 CDBDRO CCN(CCC[NH+](CC)CC)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000188062343 284590777 /nfs/dbraw/zinc/59/07/77/284590777.db2.gz HCVSSHWMEZYXOZ-UHFFFAOYSA-N 1 0 297.359 1.512 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000172029401 377234481 /nfs/dbraw/zinc/23/44/81/377234481.db2.gz FNOQFXSYJJPSPG-GFCCVEGCSA-N 1 0 291.351 1.927 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173455963 378430285 /nfs/dbraw/zinc/43/02/85/378430285.db2.gz CFZCJCGEXNESIO-CQSZACIVSA-N 1 0 291.351 1.690 20 5 CDBDRO CCCC[C@H]([NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676288 378524273 /nfs/dbraw/zinc/52/42/73/378524273.db2.gz SGFQMQITGZAORF-ZDUSSCGKSA-N 1 0 279.340 1.771 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCOC2)n1 ZINC000447573502 250387843 /nfs/dbraw/zinc/38/78/43/250387843.db2.gz HUKLMNYVYWUYJQ-IJLUTSLNSA-N 1 0 280.328 1.654 20 5 CDBDRO CCC[N@H+](CC)CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000174637334 379548603 /nfs/dbraw/zinc/54/86/03/379548603.db2.gz BLNDQXYQYLOCCT-UHFFFAOYSA-N 1 0 293.367 1.985 20 5 CDBDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000280928637 195033439 /nfs/dbraw/zinc/03/34/39/195033439.db2.gz HYPVMGIVNADNBJ-SNVBAGLBSA-N 1 0 298.364 1.823 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261573997 285095862 /nfs/dbraw/zinc/09/58/62/285095862.db2.gz AXVRLTQUTLNDPL-ONGXEEELSA-N 1 0 265.288 1.922 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000492840480 253306274 /nfs/dbraw/zinc/30/62/74/253306274.db2.gz NCMXQIKWXHLPQI-AEZGRPFRSA-N 1 0 277.324 1.674 20 5 CDBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000298725447 285163617 /nfs/dbraw/zinc/16/36/17/285163617.db2.gz MKSMMPQGNJZKOB-ZDUSSCGKSA-N 1 0 291.351 1.753 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000288890957 197187050 /nfs/dbraw/zinc/18/70/50/197187050.db2.gz AUMZHYDODFYREL-CYBMUJFWSA-N 1 0 295.364 1.872 20 5 CDBDRO Cc1ccnc(NCCC[N@@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000288837517 197176574 /nfs/dbraw/zinc/17/65/74/197176574.db2.gz IVABGILPMQFONB-UHFFFAOYSA-N 1 0 295.387 1.594 20 5 CDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000288579259 197118045 /nfs/dbraw/zinc/11/80/45/197118045.db2.gz XHSVRKREFDMEPK-ZJUUUORDSA-N 1 0 293.327 1.017 20 5 CDBDRO CC(C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])OCCO ZINC000288445847 197080493 /nfs/dbraw/zinc/08/04/93/197080493.db2.gz MMRJXRFLJUULQC-UHFFFAOYSA-N 1 0 268.313 1.472 20 5 CDBDRO Cc1c(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cccc1[N+](=O)[O-] ZINC000094566604 184819769 /nfs/dbraw/zinc/81/97/69/184819769.db2.gz CDAZDBBJCSRZAW-SKDRFNHKSA-N 1 0 279.296 1.348 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000150278021 390478075 /nfs/dbraw/zinc/47/80/75/390478075.db2.gz TXTGKNIRQXKHKN-NSHDSACASA-N 1 0 295.339 1.851 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000451425437 390619101 /nfs/dbraw/zinc/61/91/01/390619101.db2.gz UEBQIIFQGOTRLG-BFHYXJOUSA-N 1 0 294.355 1.417 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451101826 390597213 /nfs/dbraw/zinc/59/72/13/390597213.db2.gz GIOSZBAFJSQHCO-TVYUQYBPSA-N 1 0 266.297 1.659 20 5 CDBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1COC1 ZINC000451281778 390609804 /nfs/dbraw/zinc/60/98/04/390609804.db2.gz AEXIEOZNVDSFOL-UHFFFAOYSA-N 1 0 293.323 1.644 20 5 CDBDRO C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000430919767 390942459 /nfs/dbraw/zinc/94/24/59/390942459.db2.gz MCZLIPLFAKDQOX-BXUZGUMPSA-N 1 0 279.340 1.643 20 5 CDBDRO CNC(=O)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449106070 391002186 /nfs/dbraw/zinc/00/21/86/391002186.db2.gz KQXUFMXGSFFEMQ-JTQLQIEISA-N 1 0 265.313 1.252 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000264355786 391111650 /nfs/dbraw/zinc/11/16/50/391111650.db2.gz AJHMZOLOCBOMRX-SNVBAGLBSA-N 1 0 283.353 1.823 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](C3CC3)C2)c(F)c1 ZINC000413072223 391155320 /nfs/dbraw/zinc/15/53/20/391155320.db2.gz KUKDBOACVLNNCW-MRVPVSSYSA-N 1 0 266.276 1.778 20 5 CDBDRO CCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000518747526 391220675 /nfs/dbraw/zinc/22/06/75/391220675.db2.gz WPEKPVKYUJRIJT-UHFFFAOYSA-N 1 0 294.355 1.538 20 5 CDBDRO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC[N@@H+]1C ZINC000345012238 391340634 /nfs/dbraw/zinc/34/06/34/391340634.db2.gz PIKONXUCNVKZJA-IUCAKERBSA-N 1 0 266.301 1.135 20 5 CDBDRO C[NH2+]CCCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000415580088 391467185 /nfs/dbraw/zinc/46/71/85/391467185.db2.gz LJHLQTYEKDKIQH-UHFFFAOYSA-N 1 0 280.328 1.943 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[NH2+]CC1 ZINC000415763227 391471505 /nfs/dbraw/zinc/47/15/05/391471505.db2.gz NVTHICIQMNMKOB-UHFFFAOYSA-N 1 0 292.339 1.984 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000266326217 391714962 /nfs/dbraw/zinc/71/49/62/391714962.db2.gz GEPXAZYZRAKUQV-VXGBXAGGSA-N 1 0 294.355 1.190 20 5 CDBDRO Cn1nncc1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000342241074 130365360 /nfs/dbraw/zinc/36/53/60/130365360.db2.gz HPOQTZGGFOGYKE-XQRVVYSFSA-N 1 0 273.296 1.526 20 5 CDBDRO C[C@@H](C1CCC1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000357046094 391937351 /nfs/dbraw/zinc/93/73/51/391937351.db2.gz XQGDUCBRPLSJMK-VIFPVBQESA-N 1 0 252.318 1.949 20 5 CDBDRO CC(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[NH+](C)C ZINC000042587294 392016753 /nfs/dbraw/zinc/01/67/53/392016753.db2.gz FQTZZUQWGRKEIR-SNVBAGLBSA-N 1 0 283.328 1.894 20 5 CDBDRO CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000237099980 131004192 /nfs/dbraw/zinc/00/41/92/131004192.db2.gz WJBIXXHECHFQHA-UHFFFAOYSA-N 1 0 278.312 1.001 20 5 CDBDRO C[NH2+]CCN(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000237268979 131019230 /nfs/dbraw/zinc/01/92/30/131019230.db2.gz GKOMXAYYLGHEKV-UHFFFAOYSA-N 1 0 294.355 1.465 20 5 CDBDRO C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000248988099 131119735 /nfs/dbraw/zinc/11/97/35/131119735.db2.gz WRWNJOPTJRYZSN-MFKMUULPSA-N 1 0 250.298 1.798 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261696322 131163178 /nfs/dbraw/zinc/16/31/78/131163178.db2.gz FGDSFGJTGIOHOO-UHFFFAOYSA-N 1 0 295.364 1.872 20 5 CDBDRO C[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000262465739 131222788 /nfs/dbraw/zinc/22/27/88/131222788.db2.gz YGFIDTCJKHEEKO-ZJUUUORDSA-N 1 0 265.313 1.237 20 5 CDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000262644825 131246803 /nfs/dbraw/zinc/24/68/03/131246803.db2.gz UJRAEBRCDPSPEU-JTQLQIEISA-N 1 0 280.328 1.280 20 5 CDBDRO CCc1ccc(C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262739772 131257346 /nfs/dbraw/zinc/25/73/46/131257346.db2.gz DMVHEIIMDPOANI-MNOVXSKESA-N 1 0 291.351 1.980 20 5 CDBDRO Cc1cccc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c1[N+](=O)[O-] ZINC000262827290 131265315 /nfs/dbraw/zinc/26/53/15/131265315.db2.gz PZHZSOLWZNVETA-ZYHUDNBSSA-N 1 0 277.324 1.631 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CC[NH2+]1 ZINC000262904766 131272604 /nfs/dbraw/zinc/27/26/04/131272604.db2.gz QAEDVNVXMULQCM-BDAKNGLRSA-N 1 0 278.312 1.047 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000262969199 131276915 /nfs/dbraw/zinc/27/69/15/131276915.db2.gz XJBFBAXXWJPCEK-QWRGUYRKSA-N 1 0 293.323 1.230 20 5 CDBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548927830 392517441 /nfs/dbraw/zinc/51/74/41/392517441.db2.gz GUBFEJCEHRYVHV-JTQLQIEISA-N 1 0 297.359 1.558 20 5 CDBDRO CNC(=O)c1ccc(NCCCC[NH3+])c([N+](=O)[O-])c1 ZINC000213390514 140160917 /nfs/dbraw/zinc/16/09/17/140160917.db2.gz VPNLUIBUUCBDMT-UHFFFAOYSA-N 1 0 266.301 1.105 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000442786509 392496206 /nfs/dbraw/zinc/49/62/06/392496206.db2.gz ZMQNUVRWEMRGAC-UWVGGRQHSA-N 1 0 267.304 1.903 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[N@H+](CCO)CC2)c1 ZINC000094663486 392770617 /nfs/dbraw/zinc/77/06/17/392770617.db2.gz JJUFOXUFXOCIBZ-UHFFFAOYSA-N 1 0 279.340 1.408 20 5 CDBDRO CC[C@H](C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000419218008 392887260 /nfs/dbraw/zinc/88/72/60/392887260.db2.gz FKLVAWKFUWXVBY-DGCLKSJQSA-N 1 0 294.355 1.901 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CO)[C@@H](C)O ZINC000419794620 392895222 /nfs/dbraw/zinc/89/52/22/392895222.db2.gz HBRMGYHOEQXLID-NSSNTSGZSA-N 1 0 280.324 1.329 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)N[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000417857216 392874035 /nfs/dbraw/zinc/87/40/35/392874035.db2.gz UAGZRGKBORZZIG-NXEZZACHSA-N 1 0 280.328 1.611 20 5 CDBDRO CC(C)([NH3+])CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417760216 392874482 /nfs/dbraw/zinc/87/44/82/392874482.db2.gz FQKVRRPBFVGRLG-UHFFFAOYSA-N 1 0 280.328 1.174 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420644671 392921357 /nfs/dbraw/zinc/92/13/57/392921357.db2.gz XIRDAJLFUXPZPQ-SNVBAGLBSA-N 1 0 294.355 1.834 20 5 CDBDRO CCC(CC)(CC(=O)OC)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000268486553 132016280 /nfs/dbraw/zinc/01/62/80/132016280.db2.gz QEYOUFJKYXAFBZ-UHFFFAOYSA-N 1 0 298.343 1.503 20 5 CDBDRO Cc1c([C@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)cccc1[N+](=O)[O-] ZINC000268812993 132070304 /nfs/dbraw/zinc/07/03/04/132070304.db2.gz HOQNPRKLUVOZGM-WDEREUQCSA-N 1 0 277.324 1.785 20 5 CDBDRO COC[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268934315 132090581 /nfs/dbraw/zinc/09/05/81/132090581.db2.gz RISNEENERIBABV-GHMZBOCLSA-N 1 0 268.313 1.561 20 5 CDBDRO CSCC[C@@H]([NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000269048128 132103747 /nfs/dbraw/zinc/10/37/47/132103747.db2.gz AIEBXYRFMSKKRJ-LLVKDONJSA-N 1 0 297.380 1.334 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000269125821 132117030 /nfs/dbraw/zinc/11/70/30/132117030.db2.gz LXVWGEOXRBKRSD-JTQLQIEISA-N 1 0 297.742 1.611 20 5 CDBDRO C[C@]1(C[NH3+])CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000313796218 392957069 /nfs/dbraw/zinc/95/70/69/392957069.db2.gz FAFLVBPBGGESSJ-LQYUOIDQSA-N 1 0 289.335 1.805 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)CC[NH3+] ZINC000423526861 392963582 /nfs/dbraw/zinc/96/35/82/392963582.db2.gz LTSPSUFHUXXNLA-VIFPVBQESA-N 1 0 281.312 1.461 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C[C@H](C)O)[C@@H](C)CO ZINC000430198147 393090863 /nfs/dbraw/zinc/09/08/63/393090863.db2.gz YBSMTTRBDJPWLV-QWRGUYRKSA-N 1 0 298.339 1.167 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]([NH3+])C1 ZINC000430599398 393102617 /nfs/dbraw/zinc/10/26/17/393102617.db2.gz ASRUYVRURXFQIT-LLVKDONJSA-N 1 0 292.339 1.265 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000430650205 393105005 /nfs/dbraw/zinc/10/50/05/393105005.db2.gz UMKWVVIWQXIPAU-ZDUSSCGKSA-N 1 0 293.367 1.905 20 5 CDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC000430929936 393105227 /nfs/dbraw/zinc/10/52/27/393105227.db2.gz YOWNORLIMXESIC-LLVKDONJSA-N 1 0 292.339 1.217 20 5 CDBDRO C[C@H]1C[NH+](CCn2ccc([N+](=O)[O-])n2)C[C@H](C)S1 ZINC000531143308 393056835 /nfs/dbraw/zinc/05/68/35/393056835.db2.gz QKWUNVYKFQKHHF-UWVGGRQHSA-N 1 0 270.358 1.617 20 5 CDBDRO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000430964341 393107070 /nfs/dbraw/zinc/10/70/70/393107070.db2.gz DNLYADCXQXGUHJ-VXGBXAGGSA-N 1 0 279.340 1.656 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CN(C)CCO1 ZINC000449135884 393129983 /nfs/dbraw/zinc/12/99/83/393129983.db2.gz SEOPDBAKDSSYBE-JSGCOSHPSA-N 1 0 293.367 1.446 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000449694428 393139985 /nfs/dbraw/zinc/13/99/85/393139985.db2.gz GKEDGXWHESNXAL-QWRGUYRKSA-N 1 0 292.339 1.385 20 5 CDBDRO CCN1C[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000391563188 393149907 /nfs/dbraw/zinc/14/99/07/393149907.db2.gz BBRHFVBKKPLNGY-PWSUYJOCSA-N 1 0 277.324 1.866 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCCO)n1 ZINC000494481232 393233289 /nfs/dbraw/zinc/23/32/89/393233289.db2.gz FCDHITKDBJEZHM-RYUDHWBXSA-N 1 0 282.344 1.637 20 5 CDBDRO [NH3+][C@@H]1CC[C@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]12 ZINC000351482127 393203633 /nfs/dbraw/zinc/20/36/33/393203633.db2.gz YYPPHNQHDWTACG-OPQQBVKSSA-N 1 0 279.315 1.903 20 5 CDBDRO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[C@H]1C ZINC000487981018 393379132 /nfs/dbraw/zinc/37/91/32/393379132.db2.gz MRPSUOAQUSEDKH-CHWSQXEVSA-N 1 0 296.371 1.928 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000227190503 140182896 /nfs/dbraw/zinc/18/28/96/140182896.db2.gz CZKOTEREMATQRE-WDEREUQCSA-N 1 0 264.329 1.862 20 5 CDBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135243840 139886160 /nfs/dbraw/zinc/88/61/60/139886160.db2.gz NBDWUYUGGSBXMM-CQSZACIVSA-N 1 0 293.367 1.969 20 5 CDBDRO COc1ccc(NC(=O)CC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000136482734 139893914 /nfs/dbraw/zinc/89/39/14/139893914.db2.gz VLGYZNVJEKZYLG-MRVPVSSYSA-N 1 0 267.285 1.669 20 5 CDBDRO C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000163586865 139919360 /nfs/dbraw/zinc/91/93/60/139919360.db2.gz VSVILUCHMFMPAQ-CMPLNLGQSA-N 1 0 277.324 1.652 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252672535 140321143 /nfs/dbraw/zinc/32/11/43/140321143.db2.gz BDZAAAHMRBERJP-ZJUUUORDSA-N 1 0 265.317 1.367 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H](CO)C1 ZINC000255845739 140336661 /nfs/dbraw/zinc/33/66/61/140336661.db2.gz NHGOUUOXSARHRP-KTLBGCOUSA-N 1 0 262.309 1.922 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000261563436 140348967 /nfs/dbraw/zinc/34/89/67/140348967.db2.gz GWDTVLHMLYJMQA-NSHDSACASA-N 1 0 269.326 1.467 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261595995 140360174 /nfs/dbraw/zinc/36/01/74/140360174.db2.gz ACGPJXGFSSXKLY-SRVKXCTJSA-N 1 0 289.335 1.713 20 5 CDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261596947 140360441 /nfs/dbraw/zinc/36/04/41/140360441.db2.gz ZIVFMWFPHNKVJZ-GFCCVEGCSA-N 1 0 279.340 1.627 20 5 CDBDRO C[C@]1(C[NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000261643374 140367919 /nfs/dbraw/zinc/36/79/19/140367919.db2.gz XEJZOUQJLCIKJR-CYBMUJFWSA-N 1 0 263.297 1.406 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000235345460 296538808 /nfs/dbraw/zinc/53/88/08/296538808.db2.gz JRJNXSGYNWRBAF-KOLCDFICSA-N 1 0 295.314 1.933 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000135220677 397910123 /nfs/dbraw/zinc/91/01/23/397910123.db2.gz FBTJWLZPUOBFRT-LBPRGKRZSA-N 1 0 277.324 1.335 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094341904 147083120 /nfs/dbraw/zinc/08/31/20/147083120.db2.gz DUGUGXXPLFHUOJ-MFKMUULPSA-N 1 0 279.340 1.773 20 5 CDBDRO CCCC[C@@H](C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352397429 155158154 /nfs/dbraw/zinc/15/81/54/155158154.db2.gz JRSPSSMDKRWBSV-DGCLKSJQSA-N 1 0 284.360 1.663 20 5 CDBDRO Cc1cc(C(=O)N[C@H](C)CC[NH3+])cc([N+](=O)[O-])c1 ZINC000310766324 149200196 /nfs/dbraw/zinc/20/01/96/149200196.db2.gz NWSJBFHKRQIXLT-SECBINFHSA-N 1 0 251.286 1.370 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN(CC[NH3+])Cc1ccccc1 ZINC000342407126 151826666 /nfs/dbraw/zinc/82/66/66/151826666.db2.gz AVXMHXXQDRAAOV-UHFFFAOYSA-N 1 0 289.339 1.289 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352660323 155330368 /nfs/dbraw/zinc/33/03/68/155330368.db2.gz NHQMLXIJPHXBOW-QWHCGFSZSA-N 1 0 280.324 1.949 20 5 CDBDRO [NH3+][C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000346064208 153040796 /nfs/dbraw/zinc/04/07/96/153040796.db2.gz KOOLZWOKTDPHNZ-NSHDSACASA-N 1 0 292.339 1.347 20 5 CDBDRO CSC1(C[NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000348092943 153774887 /nfs/dbraw/zinc/77/48/87/153774887.db2.gz QPHSORRFGOGIQW-UHFFFAOYSA-N 1 0 256.331 1.277 20 5 CDBDRO CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H](C)O ZINC000352195233 155014037 /nfs/dbraw/zinc/01/40/37/155014037.db2.gz PDCFELHVACRUQZ-WCQYABFASA-N 1 0 298.339 1.037 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCCC2)c1 ZINC000359107082 158128275 /nfs/dbraw/zinc/12/82/75/158128275.db2.gz IEXNHLVDTYPXLW-UHFFFAOYSA-N 1 0 277.324 1.729 20 5 CDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000360087956 158459231 /nfs/dbraw/zinc/45/92/31/158459231.db2.gz ZFCAUONQWXCGQD-LLVKDONJSA-N 1 0 294.355 1.347 20 5 CDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000362025385 159042395 /nfs/dbraw/zinc/04/23/95/159042395.db2.gz KWIWMOWCSPFTCW-GXTWGEPZSA-N 1 0 280.324 1.878 20 5 CDBDRO C[C@@]1([NH2+]CCn2ccc([N+](=O)[O-])n2)CCO[C@H]1C1CC1 ZINC000373280912 160188569 /nfs/dbraw/zinc/18/85/69/160188569.db2.gz NKEITZPXMAHDNU-QWHCGFSZSA-N 1 0 280.328 1.339 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CC([C@H]3CCOC3)C2)c1 ZINC000373642940 160218132 /nfs/dbraw/zinc/21/81/32/160218132.db2.gz WCFGWOKHGLSZCX-WFASDCNBSA-N 1 0 292.335 1.597 20 5 CDBDRO O=C(NCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])o1 ZINC000020462502 171209784 /nfs/dbraw/zinc/20/97/84/171209784.db2.gz VAWJTLMQLGFDBH-UHFFFAOYSA-N 1 0 267.285 1.404 20 5 CDBDRO C[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285358709 196259805 /nfs/dbraw/zinc/25/98/05/196259805.db2.gz VNLNWWJZTWPLQC-GSDQLPOLSA-N 1 0 297.380 1.739 20 5 CDBDRO CO[C@@H](C)C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285704342 196372947 /nfs/dbraw/zinc/37/29/47/196372947.db2.gz ONGLHRQNXURQHK-GWCFXTLKSA-N 1 0 268.313 1.595 20 5 CDBDRO COc1ccc(C[N@@H+]2CC[C@](O)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000489260169 414148418 /nfs/dbraw/zinc/14/84/18/414148418.db2.gz GGDQZBUAEXDLQE-OAHLLOKOSA-N 1 0 292.335 1.950 20 5 CDBDRO Cc1n[nH]cc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040675976 174373390 /nfs/dbraw/zinc/37/33/90/174373390.db2.gz FICHTGCCNJMEDB-UHFFFAOYSA-N 1 0 260.297 1.959 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000044501390 175185758 /nfs/dbraw/zinc/18/57/58/175185758.db2.gz RHORPBBVJAJXTN-LLVKDONJSA-N 1 0 277.324 1.633 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000044541850 175201730 /nfs/dbraw/zinc/20/17/30/175201730.db2.gz RZBOLIJYXMRRLC-VIIAAUOXSA-N 1 0 289.335 1.948 20 5 CDBDRO COc1ccc(C[NH2+]C[C@@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000045107733 175307889 /nfs/dbraw/zinc/30/78/89/175307889.db2.gz BAFNXAUFJFYAST-SNVBAGLBSA-N 1 0 267.329 1.643 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000070575588 175990919 /nfs/dbraw/zinc/99/09/19/175990919.db2.gz JYAZGRJQOGSIOW-NWDGAFQWSA-N 1 0 277.324 1.729 20 5 CDBDRO CCN(CCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000071314017 176120483 /nfs/dbraw/zinc/12/04/83/176120483.db2.gz FTXXUFVVOJNVOA-AWEZNQCLSA-N 1 0 263.341 1.821 20 5 CDBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CC[NH2+]C1 ZINC000071315492 176121445 /nfs/dbraw/zinc/12/14/45/176121445.db2.gz NOJDDOYFYLFOAZ-JTQLQIEISA-N 1 0 280.328 1.147 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000071397027 176150763 /nfs/dbraw/zinc/15/07/63/176150763.db2.gz LQMLMAWTMRJFEC-JTQLQIEISA-N 1 0 263.297 1.385 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[NH2+]C1 ZINC000071397211 176150801 /nfs/dbraw/zinc/15/08/01/176150801.db2.gz HQFYZUJFFBHZBY-JTQLQIEISA-N 1 0 264.285 1.468 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000071397144 176150945 /nfs/dbraw/zinc/15/09/45/176150945.db2.gz BUDXARWVJLFNQI-SECBINFHSA-N 1 0 283.715 1.730 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[NH+](C)C ZINC000078438191 177341543 /nfs/dbraw/zinc/34/15/43/177341543.db2.gz QKYBLMCCQZLWPF-UHFFFAOYSA-N 1 0 296.327 1.629 20 5 CDBDRO Cc1nn(C)c(N2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000078617731 177360909 /nfs/dbraw/zinc/36/09/09/177360909.db2.gz AYLVHOJXUUJYLM-JTQLQIEISA-N 1 0 267.333 1.167 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000417852152 226647195 /nfs/dbraw/zinc/64/71/95/226647195.db2.gz NTFYCAFGQUVSMA-ZYHUDNBSSA-N 1 0 292.339 1.707 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000395682036 270343660 /nfs/dbraw/zinc/34/36/60/270343660.db2.gz RWQNVLYGFNNBTI-DHHDDZJSSA-N 1 0 277.324 1.722 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000397221949 270347119 /nfs/dbraw/zinc/34/71/19/270347119.db2.gz KMZCCXVNTZLSEX-YVMONPNESA-N 1 0 277.324 1.852 20 5 CDBDRO Cc1cc(=O)n(C[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000514860069 270413343 /nfs/dbraw/zinc/41/33/43/270413343.db2.gz GLESFNWTCVSWOW-HAQNSBGRSA-N 1 0 279.340 1.830 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@@H](C)C[NH3+] ZINC000347208410 273708044 /nfs/dbraw/zinc/70/80/44/273708044.db2.gz NAXLIZUMBIYPIM-JTQLQIEISA-N 1 0 267.329 1.773 20 5 CDBDRO C[C@@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000454271409 274222056 /nfs/dbraw/zinc/22/20/56/274222056.db2.gz GZPBPTYDXIWCHN-JTQLQIEISA-N 1 0 280.328 1.344 20 5 CDBDRO C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000122710264 274369604 /nfs/dbraw/zinc/36/96/04/274369604.db2.gz IEAVVBSZVHGHHV-SSDOTTSWSA-N 1 0 256.693 1.441 20 5 CDBDRO Cc1nc(N2CC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301628014 274842428 /nfs/dbraw/zinc/84/24/28/274842428.db2.gz HXJVOVLNBZYUEH-LBPRGKRZSA-N 1 0 276.340 1.973 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1COC[C@H]1O)CCC2 ZINC000295951341 275038035 /nfs/dbraw/zinc/03/80/35/275038035.db2.gz MFJBVJMFOCPDDV-BFHYXJOUSA-N 1 0 278.308 1.322 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261653663 275039830 /nfs/dbraw/zinc/03/98/30/275039830.db2.gz YLDPBGRQZTYRNN-YPMHNXCESA-N 1 0 261.325 1.636 20 5 CDBDRO CN(c1ncc([N+](=O)[O-])s1)[C@H]1CCC[N@H+](C)C1 ZINC000190330809 277004463 /nfs/dbraw/zinc/00/44/63/277004463.db2.gz VCZMIEMBIMASSG-QMMMGPOBSA-N 1 0 256.331 1.582 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000261573665 277293718 /nfs/dbraw/zinc/29/37/18/277293718.db2.gz MILCGRLPEXUIAE-VIFPVBQESA-N 1 0 251.286 1.241 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000128915352 277300948 /nfs/dbraw/zinc/30/09/48/277300948.db2.gz UIKKKVIKQVHYGJ-QMMMGPOBSA-N 1 0 283.715 1.682 20 5 CDBDRO C[C@H]([NH2+]CCN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037176971 278259265 /nfs/dbraw/zinc/25/92/65/278259265.db2.gz GXWJHVFXNNENQG-LBPRGKRZSA-N 1 0 279.340 1.578 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccccc1[N+](=O)[O-] ZINC000266462417 278376654 /nfs/dbraw/zinc/37/66/54/278376654.db2.gz MLAMCTQTCCTFIC-GHMZBOCLSA-N 1 0 287.323 1.852 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](C[NH3+])C1 ZINC000261648937 278542770 /nfs/dbraw/zinc/54/27/70/278542770.db2.gz BFJCEHMVFJLMIF-NXEZZACHSA-N 1 0 292.339 1.376 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000261575337 278931635 /nfs/dbraw/zinc/93/16/35/278931635.db2.gz BMFAACFTFSWUMN-ZJUUUORDSA-N 1 0 263.297 1.465 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000135211184 279687217 /nfs/dbraw/zinc/68/72/17/279687217.db2.gz XVSJIYPMZWFNCD-VIFPVBQESA-N 1 0 267.260 1.297 20 5 CDBDRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000126104017 279907810 /nfs/dbraw/zinc/90/78/10/279907810.db2.gz WUVBVQDVBPOHLN-QMMMGPOBSA-N 1 0 283.715 1.682 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000423984674 279965830 /nfs/dbraw/zinc/96/58/30/279965830.db2.gz UQICAFPQAUWRRN-CABZTGNLSA-N 1 0 293.323 1.413 20 5 CDBDRO CC[NH+](CC)CC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000194400013 280036787 /nfs/dbraw/zinc/03/67/87/280036787.db2.gz OIFNVEBZEVJVNL-UHFFFAOYSA-N 1 0 295.339 1.561 20 5 CDBDRO CCC[NH2+]CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000211573639 280086636 /nfs/dbraw/zinc/08/66/36/280086636.db2.gz NUTCLQQWTVSYDO-SREVYHEPSA-N 1 0 277.324 1.724 20 5 CDBDRO [NH3+][C@H]1CC[C@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000237939816 280193925 /nfs/dbraw/zinc/19/39/25/280193925.db2.gz ZVXPPIMQRJQIMV-QWRGUYRKSA-N 1 0 292.339 1.250 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c(N)c([N+](=O)[O-])c1 ZINC000262590203 280352464 /nfs/dbraw/zinc/35/24/64/280352464.db2.gz QXDRUHHXWUZASM-MWLCHTKSSA-N 1 0 292.339 1.343 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000420257313 280399389 /nfs/dbraw/zinc/39/93/89/280399389.db2.gz JWUSUKGEXNDASW-NEPJUHHUSA-N 1 0 276.340 1.652 20 5 CDBDRO C[NH2+]C1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000255412205 289370576 /nfs/dbraw/zinc/37/05/76/289370576.db2.gz MNULEPPQDBVARY-DAXSKMNVSA-N 1 0 289.335 1.818 20 5 CDBDRO C[C@@H]1CCC[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000300405719 289408323 /nfs/dbraw/zinc/40/83/23/289408323.db2.gz UBQKSXVEZMJJCS-DYEKYZERSA-N 1 0 296.371 1.568 20 5 CDBDRO CN(CCC[NH+]1CCCC1)Cc1c([N+](=O)[O-])ncn1C ZINC000337270136 289622051 /nfs/dbraw/zinc/62/20/51/289622051.db2.gz MOBDULBBRBRJPG-UHFFFAOYSA-N 1 0 281.360 1.246 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000168699379 289782259 /nfs/dbraw/zinc/78/22/59/289782259.db2.gz ORXZBMIFYXFFIT-DTWKUNHWSA-N 1 0 281.287 1.543 20 5 CDBDRO Cc1ccnc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000261599948 292777253 /nfs/dbraw/zinc/77/72/53/292777253.db2.gz PQNZNYMDVUEOFF-MNOVXSKESA-N 1 0 262.313 1.486 20 5 CDBDRO C[C@H](CCNC(=O)c1c[nH]nc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000558750279 290423583 /nfs/dbraw/zinc/42/35/83/290423583.db2.gz XTLSZECDOWDABO-SNVBAGLBSA-N 1 0 295.343 1.312 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000561158050 293056507 /nfs/dbraw/zinc/05/65/07/293056507.db2.gz NHXCPTATDGKFSQ-UHFFFAOYSA-N 1 0 296.327 1.010 20 5 CDBDRO C[C@]1(C[NH3+])CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000565293751 293585001 /nfs/dbraw/zinc/58/50/01/293585001.db2.gz OFFQUWGEYJQVOK-CQSZACIVSA-N 1 0 292.339 1.475 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000568625214 294070504 /nfs/dbraw/zinc/07/05/04/294070504.db2.gz YRQGBFQFLUZWNT-IINYFYTJSA-N 1 0 289.335 1.478 20 5 CDBDRO CO[C@@H](C)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000573110764 294755957 /nfs/dbraw/zinc/75/59/57/294755957.db2.gz FOEACJBTOKEQCZ-NSHDSACASA-N 1 0 295.339 1.938 20 5 CDBDRO C[NH2+]CCS[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000573485473 294827525 /nfs/dbraw/zinc/82/75/25/294827525.db2.gz NJRDYXTYGGNHDD-SECBINFHSA-N 1 0 283.353 1.874 20 5 CDBDRO C[C@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000574179271 294960506 /nfs/dbraw/zinc/96/05/06/294960506.db2.gz DPFPMDFALWJGQQ-QWRGUYRKSA-N 1 0 292.339 1.487 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c1[N+](=O)[O-] ZINC000261785894 301299771 /nfs/dbraw/zinc/29/97/71/301299771.db2.gz KLXUECOXBXANOE-NXEZZACHSA-N 1 0 295.314 1.852 20 5 CDBDRO CC(C)[NH2+]CCCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000563625075 316345747 /nfs/dbraw/zinc/34/57/47/316345747.db2.gz SEWXOVLZYYNWNI-UHFFFAOYSA-N 1 0 295.339 1.478 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000575746001 317006750 /nfs/dbraw/zinc/00/67/50/317006750.db2.gz QTDGRVXVMMAGCH-RYUDHWBXSA-N 1 0 294.355 1.719 20 5 CDBDRO CC(C)[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000575826611 317021848 /nfs/dbraw/zinc/02/18/48/317021848.db2.gz GTPSJEHWWDZCMF-RWMBFGLXSA-N 1 0 296.371 1.882 20 5 CDBDRO CNc1ccc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000576561698 317161279 /nfs/dbraw/zinc/16/12/79/317161279.db2.gz ZWWWWKBXRYKZFM-KOLCDFICSA-N 1 0 292.339 1.588 20 5 CDBDRO O=[N+]([O-])c1cc2c(nc1N1C[C@H]3C[NH2+]C[C@H]3C1)CCCC2 ZINC000578867814 324042981 /nfs/dbraw/zinc/04/29/81/324042981.db2.gz DFWBBXZDULDYMA-TXEJJXNPSA-N 1 0 288.351 1.524 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000579122279 324112643 /nfs/dbraw/zinc/11/26/43/324112643.db2.gz XZQRQNLYDSFXQP-ZJUUUORDSA-N 1 0 293.323 1.461 20 5 CDBDRO COc1cccc(C(=O)N2CC[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC000579826352 324291263 /nfs/dbraw/zinc/29/12/63/324291263.db2.gz JZMMAYIBRLXCLX-CQSZACIVSA-N 1 0 293.323 1.414 20 5 CDBDRO Cc1c(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)cccc1[N+](=O)[O-] ZINC000584151264 327050435 /nfs/dbraw/zinc/05/04/35/327050435.db2.gz RMUJYKBRYMWMGN-CYBMUJFWSA-N 1 0 291.351 1.956 20 5 CDBDRO O=C(NCCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000036262671 329508628 /nfs/dbraw/zinc/50/86/28/329508628.db2.gz SIGXDOGJTZOIOK-UHFFFAOYSA-N 1 0 263.297 1.467 20 5 CDBDRO [NH3+]CCc1ccn(-c2cc(F)cc(F)c2[N+](=O)[O-])n1 ZINC001167730127 1159582597 /nfs/dbraw/zinc/58/25/97/1159582597.db2.gz AWLCBRJOSOXXEU-UHFFFAOYSA-N 1 0 268.223 1.560 20 5 CDBDRO CC[C@@H](C)[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000183092351 522358946 /nfs/dbraw/zinc/35/89/46/522358946.db2.gz XOYJWTISAJOIAA-MNOVXSKESA-N 1 0 267.329 1.781 20 5 CDBDRO Cc1cnc(CC[NH3+])n1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967498 1161996248 /nfs/dbraw/zinc/99/62/48/1161996248.db2.gz QFFCBAWLHYUNRX-MNOVXSKESA-N 1 0 252.318 1.311 20 5 CDBDRO COCCN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000289556755 518057956 /nfs/dbraw/zinc/05/79/56/518057956.db2.gz YFHVHADXTPVTMZ-UHFFFAOYSA-N 1 0 281.356 1.605 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000054264458 519917708 /nfs/dbraw/zinc/91/77/08/519917708.db2.gz VRLXKFLMSNSREV-UHFFFAOYSA-N 1 0 251.286 1.324 20 5 CDBDRO CCN(CCO)CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000184540701 521117101 /nfs/dbraw/zinc/11/71/01/521117101.db2.gz GREZZCUGNCJLSL-FNORWQNLSA-N 1 0 293.367 1.512 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC000157932301 521329214 /nfs/dbraw/zinc/32/92/14/521329214.db2.gz AYJBPAUVCMCPJO-DTWKUNHWSA-N 1 0 295.343 1.128 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000236808723 521650286 /nfs/dbraw/zinc/65/02/86/521650286.db2.gz ZUHVULMIBFJYMN-UHFFFAOYSA-N 1 0 295.339 1.851 20 5 CDBDRO CCNC(=O)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000339324667 521746656 /nfs/dbraw/zinc/74/66/56/521746656.db2.gz BMHSQDMINSFNCV-CYBMUJFWSA-N 1 0 279.340 1.845 20 5 CDBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000063167211 522039680 /nfs/dbraw/zinc/03/96/80/522039680.db2.gz VHTPLYMNMAIJFU-JTQLQIEISA-N 1 0 283.353 1.870 20 5 CDBDRO COC(=O)[C@H](C)C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000338422702 523862705 /nfs/dbraw/zinc/86/27/05/523862705.db2.gz RDUJXKJOYDQLJT-LLVKDONJSA-N 1 0 296.323 1.715 20 5 CDBDRO CNC(=O)[C@H](C)C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000081554087 524094345 /nfs/dbraw/zinc/09/43/45/524094345.db2.gz XXYKKXNXOVLBGM-LLVKDONJSA-N 1 0 295.339 1.288 20 5 CDBDRO C[C@H]1C[C@@H](O)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000340934708 524822790 /nfs/dbraw/zinc/82/27/90/524822790.db2.gz WVUYNIGECCNQGX-CMPLNLGQSA-N 1 0 266.297 1.429 20 5 CDBDRO CC(=O)c1cc(NC[C@H]2C[NH2+]CCN2C)ccc1[N+](=O)[O-] ZINC000420281949 534823264 /nfs/dbraw/zinc/82/32/64/534823264.db2.gz WEXIEKFNBOLBPS-GFCCVEGCSA-N 1 0 292.339 1.113 20 5 CDBDRO C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000070075160 525028461 /nfs/dbraw/zinc/02/84/61/525028461.db2.gz DJSZPGJZMMIYOQ-RKDXNWHRSA-N 1 0 255.343 1.839 20 5 CDBDRO C[C@@H]([NH2+]CC(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000183356062 525406068 /nfs/dbraw/zinc/40/60/68/525406068.db2.gz RUMXRIZXSQLCPC-LLVKDONJSA-N 1 0 293.323 1.104 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@H](C[NH3+])C[C@H]1C ZINC000228085629 525575994 /nfs/dbraw/zinc/57/59/94/525575994.db2.gz QQRMCBFEOMRFTA-ZJUUUORDSA-N 1 0 250.302 1.472 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+]CCOCCO)cc1[N+](=O)[O-] ZINC000020199230 525726236 /nfs/dbraw/zinc/72/62/36/525726236.db2.gz USJMWZNLYJFRKG-LLVKDONJSA-N 1 0 268.313 1.563 20 5 CDBDRO [NH3+]C[C@H](Nc1ccc([N+](=O)[O-])cn1)C1CCCC1 ZINC000236223821 527228759 /nfs/dbraw/zinc/22/87/59/527228759.db2.gz RJJJWJGEVWLHEK-NSHDSACASA-N 1 0 250.302 1.919 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnccn2)cc1 ZINC000054766616 527346996 /nfs/dbraw/zinc/34/69/96/527346996.db2.gz YFNDARISIQDVGU-UHFFFAOYSA-N 1 0 258.281 1.717 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCn1ccnc1 ZINC000020305972 527400380 /nfs/dbraw/zinc/40/03/80/527400380.db2.gz RRJAAHZOYRNRKU-UHFFFAOYSA-N 1 0 260.297 1.971 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000262422339 535511598 /nfs/dbraw/zinc/51/15/98/535511598.db2.gz BNRMSRPCARNUFX-LLVKDONJSA-N 1 0 294.355 1.511 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC(C)(C)[NH3+] ZINC000417168930 536953243 /nfs/dbraw/zinc/95/32/43/536953243.db2.gz BELGBYZFIZRDBJ-UHFFFAOYSA-N 1 0 296.327 1.140 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422722666 536956100 /nfs/dbraw/zinc/95/61/00/536956100.db2.gz YKSPKDMEDKZGMG-ZJUUUORDSA-N 1 0 267.329 1.819 20 5 CDBDRO COc1cccc(C(=O)N2CCC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000195313850 537080367 /nfs/dbraw/zinc/08/03/67/537080367.db2.gz VYHDQIRJMMKUFW-UHFFFAOYSA-N 1 0 293.323 1.381 20 5 CDBDRO CC[NH+](CC)CCOC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000772086091 575659502 /nfs/dbraw/zinc/65/95/02/575659502.db2.gz AINQPYSOXRZTND-UHFFFAOYSA-N 1 0 295.339 1.984 20 5 CDBDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761526403 576580734 /nfs/dbraw/zinc/58/07/34/576580734.db2.gz BNKDECOHKUIBJC-SSDOTTSWSA-N 1 0 271.704 1.602 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)C1CC1 ZINC000763085003 576711364 /nfs/dbraw/zinc/71/13/64/576711364.db2.gz OCNLWBROIGTVIB-GFCCVEGCSA-N 1 0 266.297 1.464 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](O)c2ccco2)c1 ZINC000749670298 576956956 /nfs/dbraw/zinc/95/69/56/576956956.db2.gz KOIIMUFHGUCRDH-QWHCGFSZSA-N 1 0 292.291 1.544 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CCC[C@H](C[NH+](C)C)C1 ZINC000892172808 617525671 /nfs/dbraw/zinc/52/56/71/617525671.db2.gz QQVSKWOCGOLISA-SNVBAGLBSA-N 1 0 267.333 1.106 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000892618813 617538037 /nfs/dbraw/zinc/53/80/37/617538037.db2.gz NRFRXFKXBDJBSN-GFCCVEGCSA-N 1 0 293.371 1.783 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](C)C1 ZINC000892421300 618177574 /nfs/dbraw/zinc/17/75/74/618177574.db2.gz IRCJOGKRUZSJJU-SECBINFHSA-N 1 0 253.306 1.082 20 5 CDBDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000922591130 618276842 /nfs/dbraw/zinc/27/68/42/618276842.db2.gz PLHIVYPJVRDXGY-CQSZACIVSA-N 1 0 293.367 1.795 20 5 CDBDRO C[NH+](C)C[C@]1(O)CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000895008915 619205533 /nfs/dbraw/zinc/20/55/33/619205533.db2.gz IPSMYLLFLZOBIN-CYBMUJFWSA-N 1 0 283.303 1.237 20 5 CDBDRO C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895246763 619491882 /nfs/dbraw/zinc/49/18/82/619491882.db2.gz BZDWFNAXYQHHOD-YGRLFVJLSA-N 1 0 296.346 1.780 20 5 CDBDRO C[C@H]([NH2+]CCO[C@@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927081086 621690181 /nfs/dbraw/zinc/69/01/81/621690181.db2.gz NNQQCGNPFZNMSK-CMPLNLGQSA-N 1 0 295.339 1.633 20 5 CDBDRO COc1cccc([C@@H](C[NH2+]CC[N+](=O)[O-])N(C)C)c1 ZINC000899861168 622487698 /nfs/dbraw/zinc/48/76/98/622487698.db2.gz WRGKOSDQAIXGHU-CYBMUJFWSA-N 1 0 267.329 1.164 20 5 CDBDRO CCN(CC)C(=O)c1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000899869400 622495349 /nfs/dbraw/zinc/49/53/49/622495349.db2.gz FJBHPBYBYIQYRU-UHFFFAOYSA-N 1 0 279.340 1.535 20 5 CDBDRO CCN(CC)[C@H](C[NH2+]CC[N+](=O)[O-])c1ccsc1 ZINC000899870279 622495914 /nfs/dbraw/zinc/49/59/14/622495914.db2.gz LKBXLTQQXRIMFK-GFCCVEGCSA-N 1 0 271.386 1.997 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC[C@@H](O)C2CC2)cc1 ZINC000905690584 626918288 /nfs/dbraw/zinc/91/82/88/626918288.db2.gz GOHHILPLVIDCKW-KGLIPLIRSA-N 1 0 280.324 1.379 20 5 CDBDRO Cc1nn(CN2CCC[C@@H]([NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000152331817 630994643 /nfs/dbraw/zinc/99/46/43/630994643.db2.gz IMQDGYMQGMWRNX-GFCCVEGCSA-N 1 0 281.360 1.392 20 5 CDBDRO CC[C@H](CO)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000915875575 631848571 /nfs/dbraw/zinc/84/85/71/631848571.db2.gz RZXKXRVUEVHWGV-VHSXEESVSA-N 1 0 281.312 1.282 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2[C@@H]3COC[C@@H]32)c([N+](=O)[O-])c1 ZINC001170305770 1162330030 /nfs/dbraw/zinc/33/00/30/1162330030.db2.gz PPISBRBZQMIRHN-GCVYGYKWSA-N 1 0 292.335 1.769 20 5 CDBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000792875043 1162373983 /nfs/dbraw/zinc/37/39/83/1162373983.db2.gz XKEDDJBFLNPLKA-SNVBAGLBSA-N 1 0 294.311 1.639 20 5 CDBDRO CCC1(Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C[NH2+]C1 ZINC001157778950 1162415011 /nfs/dbraw/zinc/41/50/11/1162415011.db2.gz CCHKDDZKUUGHGO-UHFFFAOYSA-N 1 0 267.245 1.062 20 5 CDBDRO CN1CCO[C@@H](COc2cc(F)cc(F)c2[N+](=O)[O-])C1 ZINC001228612628 1160465898 /nfs/dbraw/zinc/46/58/98/1160465898.db2.gz KKXXKJNLWPEJDE-SECBINFHSA-N 1 0 288.250 1.582 20 5 CDBDRO NC(=O)C1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCCCC1 ZINC001168966603 1161996031 /nfs/dbraw/zinc/99/60/31/1161996031.db2.gz JQNXGJLWJKICHU-WDEREUQCSA-N 1 0 269.345 1.210 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](CO)c2ccc(O)cc2)C1 ZINC001169000753 1161997167 /nfs/dbraw/zinc/99/71/67/1161997167.db2.gz BHQHVQSMUGQVEN-OSMZGAPFSA-N 1 0 280.324 1.461 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[NH2+]C3(CC3)C2)c(F)c1 ZINC001158936684 1163844021 /nfs/dbraw/zinc/84/40/21/1163844021.db2.gz OMVKJJUMEBJOEY-UHFFFAOYSA-N 1 0 252.249 1.071 20 5 CDBDRO CC(C)(C)c1ccc(N[C@@H]2C[NH2+]C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001170780523 1164118357 /nfs/dbraw/zinc/11/83/57/1164118357.db2.gz NGBSTKYCTNTDKN-ZWNOBZJWSA-N 1 0 293.367 1.885 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@@H]2COC[C@@H]2[NH3+])n1 ZINC001155345696 1167135938 /nfs/dbraw/zinc/13/59/38/1167135938.db2.gz KMXOWHXXSHHMBU-JGVFFNPUSA-N 1 0 272.692 1.090 20 5 CDBDRO [NH3+]CCCC(=O)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001574276296 1170936593 /nfs/dbraw/zinc/93/65/93/1170936593.db2.gz FJIQVLDEQNJURU-UHFFFAOYSA-N 1 0 267.260 1.362 20 5 CDBDRO C[C@@]12C[NH2+]C[C@@H]1CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC001579473523 1172191818 /nfs/dbraw/zinc/19/18/18/1172191818.db2.gz CISUQKYQGRUXSU-SNPRPXQTSA-N 1 0 291.351 1.170 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1F ZINC001579642535 1172232856 /nfs/dbraw/zinc/23/28/56/1172232856.db2.gz KDNNEZJLQYGGKC-GDNZZTSVSA-N 1 0 293.298 1.238 20 5 CDBDRO Cc1ccc(CNC(=O)[C@H]2[C@@H](C[NH3+])C2(F)F)cc1[N+](=O)[O-] ZINC001579696587 1172242200 /nfs/dbraw/zinc/24/22/00/1172242200.db2.gz WNIFTRGRKMQTLP-MWLCHTKSSA-N 1 0 299.277 1.359 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001580375853 1172416076 /nfs/dbraw/zinc/41/60/76/1172416076.db2.gz JKXYJXCADQINRU-QWHCGFSZSA-N 1 0 277.324 1.381 20 5 CDBDRO Nc1c(Cl)cc(C(=O)NCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC001580432125 1172432840 /nfs/dbraw/zinc/43/28/40/1172432840.db2.gz BYGVVEZBRRLIQO-UHFFFAOYSA-N 1 0 298.730 1.312 20 5 CDBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC001593483042 1174084350 /nfs/dbraw/zinc/08/43/50/1174084350.db2.gz SHGGNOQULJYJAT-PELKAZGASA-N 1 0 286.295 1.369 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC2CC[NH2+]CC2)c1 ZINC000094022176 1174458451 /nfs/dbraw/zinc/45/84/51/1174458451.db2.gz GADBQONNTWNOIO-UHFFFAOYSA-N 1 0 291.351 1.975 20 5 CDBDRO CO[C@H]1C[NH2+][C@H](C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000226691388 1178084464 /nfs/dbraw/zinc/08/44/64/1178084464.db2.gz XZDWIEVDFWHYAX-BIMULSAOSA-N 1 0 293.323 1.149 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CN3CCC2CC3)cc1 ZINC000158615396 1178224718 /nfs/dbraw/zinc/22/47/18/1178224718.db2.gz VOXJVZORHGZDLO-HUUCEWRRSA-N 1 0 291.351 1.312 20 5 CDBDRO CC(C)[C@](C)(O)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000313025762 1186706255 /nfs/dbraw/zinc/70/62/55/1186706255.db2.gz POCPHYXJRNAZNS-UONOGXRCSA-N 1 0 282.340 1.625 20 5 CDBDRO CC(C)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(N)n2)CC1 ZINC000167824074 719334508 /nfs/dbraw/zinc/33/45/08/719334508.db2.gz CMSJFAYUPVNRAN-UHFFFAOYSA-N 1 0 279.344 1.350 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@](C)(O)C[NH+](C)C ZINC000873094635 753882112 /nfs/dbraw/zinc/88/21/12/753882112.db2.gz LSLOJUNORNQZBR-OAHLLOKOSA-N 1 0 295.383 1.614 20 5 CDBDRO Cc1nn(CN2CC[C@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000884480839 753890412 /nfs/dbraw/zinc/89/04/12/753890412.db2.gz BLSBZINKFLALSO-WCQYABFASA-N 1 0 280.328 1.558 20 5 CDBDRO CC[C@H](O)CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843093961 753977853 /nfs/dbraw/zinc/97/78/53/753977853.db2.gz SCWHAROHLPDCHB-UONOGXRCSA-N 1 0 282.340 1.769 20 5 CDBDRO COC[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591990 754105834 /nfs/dbraw/zinc/10/58/34/754105834.db2.gz NRUGVEDOIDUWBH-ZIAGYGMSSA-N 1 0 280.324 1.739 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@@H](C)[NH3+] ZINC000859677450 754211521 /nfs/dbraw/zinc/21/15/21/754211521.db2.gz SHUGBPWIYQFGOI-MRVPVSSYSA-N 1 0 282.300 1.414 20 5 CDBDRO C[C@H](CCCC[NH3+])NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834787155 754228266 /nfs/dbraw/zinc/22/82/66/754228266.db2.gz XKRSMNTUFYJSPV-SECBINFHSA-N 1 0 280.328 1.424 20 5 CDBDRO CC(C)[C@H]1C[NH2+]CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886841629 754244220 /nfs/dbraw/zinc/24/42/20/754244220.db2.gz RFEOYRJUBPYVQB-GFCCVEGCSA-N 1 0 264.329 1.420 20 5 CDBDRO Cc1ccc([C@@H](C)N[C@H]2C[NH2+]CCOC2)cc1[N+](=O)[O-] ZINC000925578068 754354329 /nfs/dbraw/zinc/35/43/29/754354329.db2.gz ZLNWIUNWCDBZIP-YPMHNXCESA-N 1 0 279.340 1.542 20 5 CDBDRO COc1ccc(CNC(=O)CCCCC[NH3+])cc1[N+](=O)[O-] ZINC000827478661 754402642 /nfs/dbraw/zinc/40/26/42/754402642.db2.gz RRYYDNQKGJZCKJ-UHFFFAOYSA-N 1 0 295.339 1.739 20 5 CDBDRO CC(C)(C)CC[NH+]1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000077569452 754432799 /nfs/dbraw/zinc/43/27/99/754432799.db2.gz XPVYPLBCWTVMBA-UHFFFAOYSA-N 1 0 295.387 1.803 20 5 CDBDRO [NH3+][C@@H](CC1CC1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000311973087 754718660 /nfs/dbraw/zinc/71/86/60/754718660.db2.gz KEXSTIJBTUYVSE-LBPRGKRZSA-N 1 0 263.297 1.338 20 5 CDBDRO C[C@H]([NH3+])c1cn(Cc2ccc([N+](=O)[O-])c(F)c2)nn1 ZINC000124301948 754725351 /nfs/dbraw/zinc/72/53/51/754725351.db2.gz ZMKAUQQLDBYDOY-ZETCQYMHSA-N 1 0 265.248 1.393 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000882959998 754860576 /nfs/dbraw/zinc/86/05/76/754860576.db2.gz WKXJXLUNMRIFIO-JTQLQIEISA-N 1 0 250.302 1.683 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000886839909 754874494 /nfs/dbraw/zinc/87/44/94/754874494.db2.gz ONAPYQGVSRXJCW-JSGCOSHPSA-N 1 0 290.367 1.954 20 5 CDBDRO Cc1cnc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000877523081 754879223 /nfs/dbraw/zinc/87/92/23/754879223.db2.gz WFFDRUSYXOWSMH-UHFFFAOYSA-N 1 0 276.296 1.857 20 5 CDBDRO C[C@@H](Cn1ccnc1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818959076 754913139 /nfs/dbraw/zinc/91/31/39/754913139.db2.gz BYUQVKQEWIUAAN-SMDDNHRTSA-N 1 0 290.323 1.503 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCn2cccc2)c1 ZINC000819118761 754917337 /nfs/dbraw/zinc/91/73/37/754917337.db2.gz JIXFQQIWOFDHLC-AWEZNQCLSA-N 1 0 275.308 1.720 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[NH2+]C1(C)C ZINC000925493706 755041691 /nfs/dbraw/zinc/04/16/91/755041691.db2.gz YRLSUIASQYCNCC-CYBMUJFWSA-N 1 0 279.340 1.834 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCC[C@H]2CO)c1 ZINC000843118785 755066743 /nfs/dbraw/zinc/06/67/43/755066743.db2.gz OMZPBMQEXLCXCR-FPMFFAJLSA-N 1 0 280.324 1.379 20 5 CDBDRO O=C(NCCC[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1F ZINC000038102921 755085178 /nfs/dbraw/zinc/08/51/78/755085178.db2.gz GAFBCUWTQKCHGI-UHFFFAOYSA-N 1 0 295.314 1.950 20 5 CDBDRO CC[N@H+](CCC(=O)NC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000933863194 755133766 /nfs/dbraw/zinc/13/37/66/755133766.db2.gz CLSPGIFHZSYMEU-CYBMUJFWSA-N 1 0 295.339 1.086 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000855286262 755143135 /nfs/dbraw/zinc/14/31/35/755143135.db2.gz NSFAOYJHFQICDH-LLVKDONJSA-N 1 0 285.388 1.811 20 5 CDBDRO C[C@H]([NH2+]C[C@@H]1CCC(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000851897838 755200346 /nfs/dbraw/zinc/20/03/46/755200346.db2.gz RKWFGRXFZLXNEM-CABZTGNLSA-N 1 0 264.281 1.951 20 5 CDBDRO CCOC(=O)CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818949436 755301745 /nfs/dbraw/zinc/30/17/45/755301745.db2.gz LULFCDWPJBDELV-ZDUSSCGKSA-N 1 0 296.323 1.561 20 5 CDBDRO CC1(O)CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819132960 755398123 /nfs/dbraw/zinc/39/81/23/755398123.db2.gz JLGQOQSPPXUYPS-BLZCZZARSA-N 1 0 294.351 1.911 20 5 CDBDRO C[N@@H+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000846889861 755408454 /nfs/dbraw/zinc/40/84/54/755408454.db2.gz PKRXRKLAOHFOAD-CQSZACIVSA-N 1 0 293.367 1.654 20 5 CDBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000062010103 755409212 /nfs/dbraw/zinc/40/92/12/755409212.db2.gz BWTCARUADPPNSQ-UHFFFAOYSA-N 1 0 281.287 1.558 20 5 CDBDRO [NH3+][C@H]1C[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000715152220 755454204 /nfs/dbraw/zinc/45/42/04/755454204.db2.gz KXLHVZPEFWCVDE-ZKCHVHJHSA-N 1 0 283.715 1.715 20 5 CDBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839616137 755508262 /nfs/dbraw/zinc/50/82/62/755508262.db2.gz ZOHOFNYBAYXHSP-YNEHKIRRSA-N 1 0 283.372 1.422 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877244598 755608067 /nfs/dbraw/zinc/60/80/67/755608067.db2.gz GABRGJMERRAZGV-XYPYZODXSA-N 1 0 277.324 1.679 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCC1(C)C ZINC000878673803 755621647 /nfs/dbraw/zinc/62/16/47/755621647.db2.gz UIQJOTGPTFKFEE-SNVBAGLBSA-N 1 0 252.318 1.878 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NCC[N@H+](C)CCO ZINC000884824595 755648578 /nfs/dbraw/zinc/64/85/78/755648578.db2.gz CYUBOXZNXRPPCA-UHFFFAOYSA-N 1 0 253.302 1.239 20 5 CDBDRO CO[C@H](C[NH3+])Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000823069062 755682660 /nfs/dbraw/zinc/68/26/60/755682660.db2.gz CMQBJSXRLFPIGS-LURJTMIESA-N 1 0 284.297 1.223 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2cccnc2)c1 ZINC000818950512 755792542 /nfs/dbraw/zinc/79/25/42/755792542.db2.gz UFOSKCQPBJPZSL-HNNXBMFYSA-N 1 0 287.319 1.856 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000700626414 755828783 /nfs/dbraw/zinc/82/87/83/755828783.db2.gz UKTNWNZDFZUVCQ-SECBINFHSA-N 1 0 283.715 1.682 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](CO)CC2CCC2)c1 ZINC000843114628 755856177 /nfs/dbraw/zinc/85/61/77/755856177.db2.gz BAUXZNQOIPGCBS-HIFRSBDPSA-N 1 0 294.351 1.769 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN(C)OC ZINC000850478033 755859191 /nfs/dbraw/zinc/85/91/91/755859191.db2.gz MUULDTPRTVLEEH-JTQLQIEISA-N 1 0 283.328 1.747 20 5 CDBDRO Cc1noc(C)c1CN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000157642146 755924120 /nfs/dbraw/zinc/92/41/20/755924120.db2.gz ZQXSIXJVVTUPDI-UHFFFAOYSA-N 1 0 279.300 1.528 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCOCCO ZINC000052925104 755991463 /nfs/dbraw/zinc/99/14/63/755991463.db2.gz IWSJYEDHRUAZJV-UHFFFAOYSA-N 1 0 274.704 1.347 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866370806 756017012 /nfs/dbraw/zinc/01/70/12/756017012.db2.gz FCSZWQIFEFFJLE-UWVGGRQHSA-N 1 0 297.330 1.779 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCS(=O)(=O)C2CC2)cc1 ZINC000877590597 756231862 /nfs/dbraw/zinc/23/18/62/756231862.db2.gz BSNOIFMSVFNJFY-UHFFFAOYSA-N 1 0 298.364 1.304 20 5 CDBDRO Nc1c(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000818019032 756283781 /nfs/dbraw/zinc/28/37/81/756283781.db2.gz ZQOFGHFGIHLQSJ-AWEZNQCLSA-N 1 0 290.323 1.145 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000845727670 756306175 /nfs/dbraw/zinc/30/61/75/756306175.db2.gz DTHZGLMCKNNOPO-IVZWLZJFSA-N 1 0 256.302 1.068 20 5 CDBDRO C[C@H]([NH3+])CC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000261881318 756308415 /nfs/dbraw/zinc/30/84/15/756308415.db2.gz RVORFALLNOWZMT-QMMMGPOBSA-N 1 0 285.731 1.944 20 5 CDBDRO CON1CCC([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000817588358 756372338 /nfs/dbraw/zinc/37/23/38/756372338.db2.gz OFQIJSGQINWJDK-SNVBAGLBSA-N 1 0 294.355 1.853 20 5 CDBDRO COc1ccc(NC(=S)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000782208765 756386999 /nfs/dbraw/zinc/38/69/99/756386999.db2.gz XUDFQWQWOPBAOU-UHFFFAOYSA-N 1 0 298.368 1.451 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702658032 756470806 /nfs/dbraw/zinc/47/08/06/756470806.db2.gz FMWRIGUOZUZKRF-CBAPKCEASA-N 1 0 283.715 1.810 20 5 CDBDRO CCO[C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000932973506 756494302 /nfs/dbraw/zinc/49/43/02/756494302.db2.gz JQUPUKPIDUINII-UONOGXRCSA-N 1 0 280.324 1.739 20 5 CDBDRO C[C@]1(O)CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776598033 756506973 /nfs/dbraw/zinc/50/69/73/756506973.db2.gz OMYVVPIDNGHMJR-KGLIPLIRSA-N 1 0 280.324 1.475 20 5 CDBDRO CS[C@@H](C)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000162714722 756790050 /nfs/dbraw/zinc/79/00/50/756790050.db2.gz PAKSVCNAKZTWTR-CABZTGNLSA-N 1 0 270.354 1.969 20 5 CDBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC[NH2+]C1 ZINC000058233594 756820523 /nfs/dbraw/zinc/82/05/23/756820523.db2.gz KIIAIVUDENCPHV-VIFPVBQESA-N 1 0 283.715 1.682 20 5 CDBDRO Cc1nn(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c(C)c1[N+](=O)[O-] ZINC000884482452 756838622 /nfs/dbraw/zinc/83/86/22/756838622.db2.gz BJWTWJWOHIMMFN-QWHCGFSZSA-N 1 0 294.355 1.867 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000712287715 756850180 /nfs/dbraw/zinc/85/01/80/756850180.db2.gz BSNAVDTYGMAOFZ-SCDSUCTJSA-N 1 0 262.309 1.798 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886815640 756880400 /nfs/dbraw/zinc/88/04/00/756880400.db2.gz HCLINDIKMUPYKQ-QWHCGFSZSA-N 1 0 294.355 1.601 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000852636157 756946877 /nfs/dbraw/zinc/94/68/77/756946877.db2.gz OYEZBHOWZXNKDL-YRGRVCCFSA-N 1 0 262.309 1.970 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)cc1F ZINC000839648273 757116692 /nfs/dbraw/zinc/11/66/92/757116692.db2.gz CFGDNVINOGDKOG-YPMHNXCESA-N 1 0 298.314 1.611 20 5 CDBDRO COc1cc([C@H](C)[NH2+]CC[N+](=O)[O-])cc(OC)c1OC ZINC000930198750 757209754 /nfs/dbraw/zinc/20/97/54/757209754.db2.gz OIFNBTJSQIRFPQ-VIFPVBQESA-N 1 0 284.312 1.640 20 5 CDBDRO CCc1[nH]nc(C(=O)OCC[NH+](CC)CC)c1[N+](=O)[O-] ZINC000795612087 757332423 /nfs/dbraw/zinc/33/24/23/757332423.db2.gz BSTNHQIPURNHAM-UHFFFAOYSA-N 1 0 284.316 1.379 20 5 CDBDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886121167 757404370 /nfs/dbraw/zinc/40/43/70/757404370.db2.gz WZDCMYHWJNFSSU-VHSXEESVSA-N 1 0 251.286 1.193 20 5 CDBDRO COc1ccc(C[NH2+][C@@H](C)COC(C)=O)cc1[N+](=O)[O-] ZINC000892715581 757696026 /nfs/dbraw/zinc/69/60/26/757696026.db2.gz ZUOKIJFGVBDMED-VIFPVBQESA-N 1 0 282.296 1.645 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]([NH3+])C1 ZINC000036297145 757740101 /nfs/dbraw/zinc/74/01/01/757740101.db2.gz WDCBNJNNGUCPAT-JTQLQIEISA-N 1 0 299.352 1.015 20 5 CDBDRO CON(C)C(=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000808743991 757793980 /nfs/dbraw/zinc/79/39/80/757793980.db2.gz SYTKYKLZNPZKRZ-JTQLQIEISA-N 1 0 281.312 1.655 20 5 CDBDRO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C1CCOCC1 ZINC000886112037 757839014 /nfs/dbraw/zinc/83/90/14/757839014.db2.gz NLMJPHSTIYPCOJ-SNVBAGLBSA-N 1 0 265.313 1.895 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCN(C3CC3)C2)cc1 ZINC000126723360 757889910 /nfs/dbraw/zinc/88/99/10/757889910.db2.gz JXKRMDJQGLISRZ-SWLSCSKDSA-N 1 0 291.351 1.455 20 5 CDBDRO O=[N+]([O-])c1c(NCC[C@H]2CC[NH2+]C2)nc2sccn21 ZINC000110798953 757895360 /nfs/dbraw/zinc/89/53/60/757895360.db2.gz VVTOESAWXCNSOO-MRVPVSSYSA-N 1 0 281.341 1.716 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+]1C ZINC000158930461 758132509 /nfs/dbraw/zinc/13/25/09/758132509.db2.gz FITRANKWPVMWEN-NXEZZACHSA-N 1 0 292.339 1.390 20 5 CDBDRO CC1(C)C[NH2+]C[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000884153546 758234396 /nfs/dbraw/zinc/23/43/96/758234396.db2.gz MPRJQAFEENKUIV-LBPRGKRZSA-N 1 0 291.351 1.499 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)cc1 ZINC000886568839 758306330 /nfs/dbraw/zinc/30/63/30/758306330.db2.gz XJDJIWHXZWHVRM-SCRDCRAPSA-N 1 0 294.376 1.923 20 5 CDBDRO C[C@@H](NC(=O)NCC[NH+]1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000925236625 758335712 /nfs/dbraw/zinc/33/57/12/758335712.db2.gz MVGNITFCUWAFNC-LLVKDONJSA-N 1 0 292.339 1.661 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2ccncc2)c1 ZINC000818973537 758416447 /nfs/dbraw/zinc/41/64/47/758416447.db2.gz YXBLYBDLQAATTM-OAHLLOKOSA-N 1 0 287.319 1.856 20 5 CDBDRO [NH3+][C@H](Cc1nc(-c2ccc([N+](=O)[O-])o2)no1)C1CC1 ZINC000843238371 758471817 /nfs/dbraw/zinc/47/18/17/758471817.db2.gz QIVFOHWZTKUGBL-SSDOTTSWSA-N 1 0 264.241 1.518 20 5 CDBDRO CC(C)(CCC(=O)O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[N+](=O)[O-] ZINC000835395510 758497051 /nfs/dbraw/zinc/49/70/51/758497051.db2.gz GMVJDBKLDLOMTD-VXGBXAGGSA-N 1 0 284.356 1.992 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](C)CO)c1F ZINC001173174893 912282450 /nfs/dbraw/zinc/28/24/50/912282450.db2.gz FLKOCWXWGLVSAZ-BDAKNGLRSA-N 1 0 286.303 1.644 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(O)CCOCC1 ZINC001173215773 912298900 /nfs/dbraw/zinc/29/89/00/912298900.db2.gz ZNNSMMDQBRFKSQ-GFCCVEGCSA-N 1 0 294.351 1.657 20 5 CDBDRO CC[C@H](CO)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217501 912302502 /nfs/dbraw/zinc/30/25/02/912302502.db2.gz VTUNCYFJZPVJOQ-CMPLNLGQSA-N 1 0 252.314 1.886 20 5 CDBDRO CO[C@@H]1C[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC001173229204 912319788 /nfs/dbraw/zinc/31/97/88/912319788.db2.gz RNZSHLHGUXZXBQ-DFBGVHRSSA-N 1 0 294.351 1.871 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCNC(=O)C1 ZINC001173231123 912326375 /nfs/dbraw/zinc/32/63/75/912326375.db2.gz XSLVGTLRDPDTJU-DGCLKSJQSA-N 1 0 291.351 1.784 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H](O)C1 ZINC001173214645 912335345 /nfs/dbraw/zinc/33/53/45/912335345.db2.gz DCGIYJBIAXAMHM-IRUJWGPZSA-N 1 0 250.298 1.639 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1-n1ccnc1[C@H]1CCC[NH2+]C1 ZINC001167058134 894086547 /nfs/dbraw/zinc/08/65/47/894086547.db2.gz YIWJIBQNPQXSSA-VIFPVBQESA-N 1 0 291.286 1.782 20 5 CDBDRO C[NH2+]CCNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001346463165 894932170 /nfs/dbraw/zinc/93/21/70/894932170.db2.gz MIDBLGOUGPEPFK-SECBINFHSA-N 1 0 266.301 1.174 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001167690083 898209138 /nfs/dbraw/zinc/20/91/38/898209138.db2.gz NNECPAHZTXSJQX-UHFFFAOYSA-N 1 0 283.291 1.805 20 5 CDBDRO COc1cc(C)c([N+](=O)[O-])cc1-n1ccc(CC[NH3+])n1 ZINC001167730348 899483357 /nfs/dbraw/zinc/48/33/57/899483357.db2.gz HAABIIJKBJEAEX-UHFFFAOYSA-N 1 0 276.296 1.599 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC001225663017 903624509 /nfs/dbraw/zinc/62/45/09/903624509.db2.gz PUNOVGNXDJNDQR-SNVBAGLBSA-N 1 0 251.286 1.771 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(O[C@H]2C[NH+]3CCC2CC3)n1 ZINC001227061837 906002152 /nfs/dbraw/zinc/00/21/52/906002152.db2.gz BEXDSMKFAVDDPA-LBPRGKRZSA-N 1 0 263.297 1.771 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1N[C@H]1C[C@@H](CO)C1)C[NH2+]C2 ZINC001168246216 907981155 /nfs/dbraw/zinc/98/11/55/907981155.db2.gz CBTCGDJTLZBOHZ-DKTWLAJQSA-N 1 0 263.297 1.381 20 5 CDBDRO Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1C ZINC001126936865 909943381 /nfs/dbraw/zinc/94/33/81/909943381.db2.gz VGJDIICLIGGSRA-ZIAGYGMSSA-N 1 0 291.351 1.174 20 5 CDBDRO CCOc1cc([N+](=O)[O-])ccc1Nc1nccnc1C[NH3+] ZINC001171447991 910654173 /nfs/dbraw/zinc/65/41/73/910654173.db2.gz SJVUORONXJJPSS-UHFFFAOYSA-N 1 0 289.295 1.986 20 5 CDBDRO C[N+](C)(C)CCOC[C@H]1CC[C@@]2(CCCCO2)O1 ZINC001224776520 910706789 /nfs/dbraw/zinc/70/67/89/910706789.db2.gz WZHYUIMREGOUMU-ZIAGYGMSSA-N 1 0 258.382 1.785 20 5 CDBDRO C[C@H](CO)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897332 912032742 /nfs/dbraw/zinc/03/27/42/912032742.db2.gz ZHWZODMJSKSMQG-MFKMUULPSA-N 1 0 264.325 1.813 20 5 CDBDRO C[C@H](CO)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897333 912033632 /nfs/dbraw/zinc/03/36/32/912033632.db2.gz ZHWZODMJSKSMQG-ZWNOBZJWSA-N 1 0 264.325 1.813 20 5 CDBDRO [NH3+]CCN(CCO)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900444 912036424 /nfs/dbraw/zinc/03/64/24/912036424.db2.gz UBHHHVHKKQXVET-CQSZACIVSA-N 1 0 293.367 1.095 20 5 CDBDRO CC1(O)C[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172908080 912038310 /nfs/dbraw/zinc/03/83/10/912038310.db2.gz KWJNPVSNDCLWMG-CYBMUJFWSA-N 1 0 276.336 1.909 20 5 CDBDRO N[C@@H]1C[C@H]1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908865 912039234 /nfs/dbraw/zinc/03/92/34/912039234.db2.gz ATIMVXJUIFWRBC-MRVWCRGKSA-N 1 0 261.325 1.531 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(N)=O ZINC001172896210 912053055 /nfs/dbraw/zinc/05/30/55/912053055.db2.gz NFPHJOQRWOMHFW-JOYOIKCWSA-N 1 0 277.324 1.306 20 5 CDBDRO Cc1cc(C)c(-n2ccnc2C(N)=[NH2+])c(C)c1[N+](=O)[O-] ZINC001168416630 912149337 /nfs/dbraw/zinc/14/93/37/912149337.db2.gz YRQKTOAOXMIFTC-UHFFFAOYSA-N 1 0 273.296 1.990 20 5 CDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cocn1 ZINC001124778624 917631025 /nfs/dbraw/zinc/63/10/25/917631025.db2.gz RNUNRSYKDKXPEZ-UHFFFAOYSA-N 1 0 296.308 1.164 20 5 CDBDRO Nc1[nH+]c2ccccc2n1-c1ccc([N+](=O)[O-])nc1 ZINC001203560170 918312764 /nfs/dbraw/zinc/31/27/64/918312764.db2.gz ILNBWQRQVBAOIY-UHFFFAOYSA-N 1 0 255.237 1.911 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001162396493 922502038 /nfs/dbraw/zinc/50/20/38/922502038.db2.gz JZWQULIZVOSRQD-RKDXNWHRSA-N 1 0 266.301 1.680 20 5 CDBDRO COc1cnc(NCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC001168766520 925671050 /nfs/dbraw/zinc/67/10/50/925671050.db2.gz MZZDFXCNBUYAKV-UHFFFAOYSA-N 1 0 282.344 1.998 20 5 CDBDRO COc1cccc(-n2cc(CC[NH3+])cn2)c1[N+](=O)[O-] ZINC001168950032 927556321 /nfs/dbraw/zinc/55/63/21/927556321.db2.gz SSCMYEHDJLUPCT-UHFFFAOYSA-N 1 0 262.269 1.290 20 5 CDBDRO O=C(CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)NC1CCCCC1 ZINC001168978369 927566513 /nfs/dbraw/zinc/56/65/13/927566513.db2.gz RJOSZXZVSOFLDE-GXTWGEPZSA-N 1 0 297.399 1.860 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc3c2OCO3)C1 ZINC001168979486 927567238 /nfs/dbraw/zinc/56/72/38/927567238.db2.gz YNBQGHZXGIKPIG-JQWIXIFHSA-N 1 0 278.308 1.950 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](CO)c2ccccn2)C1 ZINC001168986126 927569148 /nfs/dbraw/zinc/56/91/48/927569148.db2.gz WFZBVUDEPADSNA-MDZLAQPJSA-N 1 0 265.313 1.150 20 5 CDBDRO [NH3+]Cc1ccc2nnn([C@H]3CC[C@H](C[N+](=O)[O-])C3)c2c1 ZINC001168983373 927570343 /nfs/dbraw/zinc/57/03/43/927570343.db2.gz JTPMKUHKQXKJHV-QWRGUYRKSA-N 1 0 275.312 1.508 20 5 CDBDRO Cn1cc2c(n1)[C@H](C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)OCC2 ZINC001168964692 927586409 /nfs/dbraw/zinc/58/64/09/927586409.db2.gz VHORXTZLLBMDHL-WXHSDQCUSA-N 1 0 294.355 1.069 20 5 CDBDRO O=C(NCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168965838 927589886 /nfs/dbraw/zinc/58/98/86/927589886.db2.gz CPLLYEPMCLMLKE-OCCSQVGLSA-N 1 0 291.351 1.451 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](CO)c2cccs2)C1 ZINC001168972694 927596554 /nfs/dbraw/zinc/59/65/54/927596554.db2.gz AUGRVJMEHPTTHO-GMTAPVOTSA-N 1 0 270.354 1.817 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(F)n2)C1 ZINC001168973495 927596820 /nfs/dbraw/zinc/59/68/20/927596820.db2.gz OUXMIHZHACJPRB-NXEZZACHSA-N 1 0 253.277 1.756 20 5 CDBDRO Cc1ncc(CO)c(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1O ZINC001168973449 927597063 /nfs/dbraw/zinc/59/70/63/927597063.db2.gz OTRYQGIZXHUXIV-CMPLNLGQSA-N 1 0 295.339 1.123 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC3(C2)OCCO3)C1 ZINC001168993299 927601089 /nfs/dbraw/zinc/60/10/89/927601089.db2.gz MIMXTUZCPBRXBD-FRRDWIJNSA-N 1 0 284.356 1.707 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[C@H]2O)C1 ZINC001169001670 927605164 /nfs/dbraw/zinc/60/51/64/927605164.db2.gz HHDQTXOECJBKOV-UMSGYPCISA-N 1 0 256.346 1.573 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc3nccn3c2)C1 ZINC001169003583 927606024 /nfs/dbraw/zinc/60/60/24/927606024.db2.gz OKICIIVTBZAJPH-YPMHNXCESA-N 1 0 274.324 1.869 20 5 CDBDRO [NH2+]=C(N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)n1nnc2ccccc21 ZINC001169007373 927612493 /nfs/dbraw/zinc/61/24/93/927612493.db2.gz MYQYCHPXBLJTAY-NXEZZACHSA-N 1 0 288.311 1.249 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC3(COC3)CC2)C1 ZINC001169008725 927614931 /nfs/dbraw/zinc/61/49/31/927614931.db2.gz UJJQZEIZZQCMIK-NWDGAFQWSA-N 1 0 254.330 1.544 20 5 CDBDRO CCOc1cc([N+](=O)[O-])ccc1-n1nc(CC[NH3+])nc1C ZINC001168987442 927624834 /nfs/dbraw/zinc/62/48/34/927624834.db2.gz PJGXRDCSUMDRRY-UHFFFAOYSA-N 1 0 291.311 1.384 20 5 CDBDRO CN(C)C(=O)N1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168988332 927625438 /nfs/dbraw/zinc/62/54/38/927625438.db2.gz QYEZVQUPUWSGNT-WCQYABFASA-N 1 0 298.387 1.167 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCN2CCC[C@@H](F)C2)C1 ZINC001168990254 927629661 /nfs/dbraw/zinc/62/96/61/927629661.db2.gz ZBMZTXPNRGHWEE-UPJWGTAASA-N 1 0 273.352 1.455 20 5 CDBDRO CCO[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169027460 927632569 /nfs/dbraw/zinc/63/25/69/927632569.db2.gz PYWNWQKWWFMOSX-JHJVBQTASA-N 1 0 256.346 1.933 20 5 CDBDRO CC(C)(C)N1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169036737 927647253 /nfs/dbraw/zinc/64/72/53/927647253.db2.gz PWJYWBVVRGCTPR-CHWSQXEVSA-N 1 0 269.389 1.848 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@]23CCOC3)C1 ZINC001169040039 927655016 /nfs/dbraw/zinc/65/50/16/927655016.db2.gz XEFYPJLVPKCIRC-FRRDWIJNSA-N 1 0 254.330 1.687 20 5 CDBDRO CC(C)(C)C(=O)N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169046712 927665031 /nfs/dbraw/zinc/66/50/31/927665031.db2.gz MCXQYDNQMOCVFL-OLZOCXBDSA-N 1 0 297.399 1.622 20 5 CDBDRO CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169026920 927667122 /nfs/dbraw/zinc/66/71/22/927667122.db2.gz OJKWTZALYLXKCV-YNEHKIRRSA-N 1 0 269.345 1.032 20 5 CDBDRO O=C1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]2CCCN12 ZINC001169052063 927668820 /nfs/dbraw/zinc/66/88/20/927668820.db2.gz FUMSUGLWXODJOD-XQQFMLRXSA-N 1 0 281.356 1.129 20 5 CDBDRO CCN1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H](C)C1 ZINC001169051402 927669624 /nfs/dbraw/zinc/66/96/24/927669624.db2.gz DOPHIHTZQFPZSW-AGIUHOORSA-N 1 0 255.362 1.458 20 5 CDBDRO O=C1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H]2CCCN12 ZINC001169052065 927670106 /nfs/dbraw/zinc/67/01/06/927670106.db2.gz FUMSUGLWXODJOD-YNEHKIRRSA-N 1 0 281.356 1.129 20 5 CDBDRO COC(=O)[C@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1C ZINC001169057698 927675220 /nfs/dbraw/zinc/67/52/20/927675220.db2.gz XBBSSQIAIGRJFE-USZNOCQGSA-N 1 0 270.329 1.173 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C1 ZINC001169057493 927675341 /nfs/dbraw/zinc/67/53/41/927675341.db2.gz WATRSLXHYZEEAL-APIJFGDWSA-N 1 0 299.390 1.940 20 5 CDBDRO [NH3+]Cc1cccc2c1cnn2-c1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001169192831 927803629 /nfs/dbraw/zinc/80/36/29/927803629.db2.gz RZFKYQBESXCAIQ-UHFFFAOYSA-N 1 0 285.263 1.026 20 5 CDBDRO C[C@H]([NH3+])c1ccn(-c2cnc(Cl)cc2[N+](=O)[O-])n1 ZINC001169230586 927836595 /nfs/dbraw/zinc/83/65/95/927836595.db2.gz TTYRMMIUVHTTDL-LURJTMIESA-N 1 0 267.676 1.849 20 5 CDBDRO CCOc1cc([N+](=O)[O-])ccc1NC[C@@H]1COCC[NH2+]1 ZINC001170043337 929127386 /nfs/dbraw/zinc/12/73/86/929127386.db2.gz GMEUGFHGXVFLPW-SNVBAGLBSA-N 1 0 281.312 1.394 20 5 CDBDRO COc1cnc(N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001157266479 929411741 /nfs/dbraw/zinc/41/17/41/929411741.db2.gz SXJNPVLVEUSCOF-GXFFZTMASA-N 1 0 292.339 1.529 20 5 CDBDRO O=[N+]([O-])c1cc2cc[nH]c2c(N[C@H]2C[NH2+]C[C@@H]2CO)c1 ZINC001170777021 929933057 /nfs/dbraw/zinc/93/30/57/929933057.db2.gz BZHGOXXVUSMCQA-SKDRFNHKSA-N 1 0 276.296 1.068 20 5 CDBDRO CC(C)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001115530817 937390822 /nfs/dbraw/zinc/39/08/22/937390822.db2.gz SPRPIDSWSFSPPN-CHWSQXEVSA-N 1 0 297.399 1.716 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1ccc2nsnc2c1[N+](=O)[O-] ZINC001170861462 930492738 /nfs/dbraw/zinc/49/27/38/930492738.db2.gz CLMFWHPJSRROIV-JTQLQIEISA-N 1 0 283.313 1.069 20 5 CDBDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886249927 930839099 /nfs/dbraw/zinc/83/90/99/930839099.db2.gz WFRVNWLTBSVWFI-MNOVXSKESA-N 1 0 265.313 1.440 20 5 CDBDRO [NH3+][C@@H]1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC(F)(F)C1 ZINC001246590424 932014366 /nfs/dbraw/zinc/01/43/66/932014366.db2.gz UOCKNLPINKZNMP-KXUCPTDWSA-N 1 0 263.288 1.100 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001118145142 937595957 /nfs/dbraw/zinc/59/59/57/937595957.db2.gz HZCYHPTUHPOEPZ-SECBINFHSA-N 1 0 278.312 1.118 20 5 CDBDRO Cc1c([N+](=O)[O-])ccc(=O)n1C[C@H]1CCC[NH2+]C1 ZINC001118199930 937601866 /nfs/dbraw/zinc/60/18/66/937601866.db2.gz WTJXZQOBKUURMV-JTQLQIEISA-N 1 0 251.286 1.065 20 5 CDBDRO [NH3+]Cc1cn(-c2ccc3ccc([N+](=O)[O-])cc3n2)cn1 ZINC001154906494 937602290 /nfs/dbraw/zinc/60/22/90/937602290.db2.gz GXIYCANTYZTPJN-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO Cc1c(C)c(N2CCOC[C@@H]2C[NH+](C)C)ncc1[N+](=O)[O-] ZINC001154977268 937615315 /nfs/dbraw/zinc/61/53/15/937615315.db2.gz MNRGRSLKBYVTGT-LBPRGKRZSA-N 1 0 294.355 1.373 20 5 CDBDRO COc1nc(C)c(NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC001171333498 932733023 /nfs/dbraw/zinc/73/30/23/932733023.db2.gz FCXVPEURIIPALM-SNVBAGLBSA-N 1 0 280.328 1.861 20 5 CDBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001120866021 937842861 /nfs/dbraw/zinc/84/28/61/937842861.db2.gz AVWOKABEIFOQDN-AOOOYVTPSA-N 1 0 277.324 1.984 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC001120884363 937844746 /nfs/dbraw/zinc/84/47/46/937844746.db2.gz NNIXZZFEMRPFNE-JTQLQIEISA-N 1 0 290.327 1.534 20 5 CDBDRO CC1(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCC1 ZINC001156075406 938318568 /nfs/dbraw/zinc/31/85/68/938318568.db2.gz FQVRAKYKMYNQTL-UHFFFAOYSA-N 1 0 263.301 1.426 20 5 CDBDRO CN(c1nccc(Cl)c1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001156169813 938327007 /nfs/dbraw/zinc/32/70/07/938327007.db2.gz RSTXEEAMBIIWJP-UHFFFAOYSA-N 1 0 270.720 1.831 20 5 CDBDRO C[N@@H+]1CC[C@H](Nc2cc(Cl)cc([N+](=O)[O-])n2)C1 ZINC001156580236 938388577 /nfs/dbraw/zinc/38/85/77/938388577.db2.gz IIQWBIAJXLQPNK-QMMMGPOBSA-N 1 0 256.693 1.759 20 5 CDBDRO COc1nc(-n2ccc3cc(C[NH3+])cnc32)ccc1[N+](=O)[O-] ZINC001156593122 938390112 /nfs/dbraw/zinc/39/01/12/938390112.db2.gz ABVIZUQOHQCMPJ-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001157259877 938470340 /nfs/dbraw/zinc/47/03/40/938470340.db2.gz GQOAMDGACZCCCQ-YPMHNXCESA-N 1 0 276.340 1.829 20 5 CDBDRO CCOc1nc(N[C@H]2C[NH2+]CC[C@H]2F)ccc1[N+](=O)[O-] ZINC001157449991 938493640 /nfs/dbraw/zinc/49/36/40/938493640.db2.gz FLFUSZMGYUBBIQ-BDAKNGLRSA-N 1 0 284.291 1.500 20 5 CDBDRO C[C@@H]1[C@@H]([NH3+])CCCN1c1nc(Cl)ncc1[N+](=O)[O-] ZINC001157734976 938538079 /nfs/dbraw/zinc/53/80/79/938538079.db2.gz ZVEDIKUCXPPKEB-RQJHMYQMSA-N 1 0 271.708 1.354 20 5 CDBDRO [NH3+]Cc1cccc2c1cnn2-c1cc([N+](=O)[O-])ccn1 ZINC001158302369 938605440 /nfs/dbraw/zinc/60/54/40/938605440.db2.gz FEBKPOBLASDSCY-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO [NH3+]CCc1cn(-c2cc([N+](=O)[O-])ccn2)c2cccnc12 ZINC001158746100 938659421 /nfs/dbraw/zinc/65/94/21/938659421.db2.gz OOBGXBZGDPRCSF-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1-n1ccc(C[NH3+])c1 ZINC001158765064 938661179 /nfs/dbraw/zinc/66/11/79/938661179.db2.gz YQJYSCZGRMXFBE-UHFFFAOYSA-N 1 0 276.252 1.026 20 5 CDBDRO Cc1c(C)c([N+](=O)[O-])cnc1N[C@@H](C)[C@@H]1C[NH2+]CCO1 ZINC001159498453 938734915 /nfs/dbraw/zinc/73/49/15/938734915.db2.gz LULVCUJUIMPXBJ-JQWIXIFHSA-N 1 0 280.328 1.395 20 5 CDBDRO C[C@H](Nc1cc(Cl)cc([N+](=O)[O-])n1)[C@H]1C[NH2+]CCO1 ZINC001159501180 938735895 /nfs/dbraw/zinc/73/58/95/938735895.db2.gz YVUINHGMKKYXCI-IONNQARKSA-N 1 0 286.719 1.432 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])Nc1ncc([N+](=O)[O-])cc1F ZINC001160913059 938842678 /nfs/dbraw/zinc/84/26/78/938842678.db2.gz FRNLJKDYIKSIMR-VIFPVBQESA-N 1 0 256.281 1.914 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1NCCCn1ccnc1)C[NH2+]C2 ZINC001161684729 938920428 /nfs/dbraw/zinc/92/04/28/938920428.db2.gz LJERUPBYEMVYLD-UHFFFAOYSA-N 1 0 287.323 1.897 20 5 CDBDRO Cn1cc([N+](=O)[O-])c(N2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC001162598766 939100186 /nfs/dbraw/zinc/10/01/86/939100186.db2.gz XYTMPYAXIYEFTG-UHFFFAOYSA-N 1 0 293.371 1.783 20 5 CDBDRO Cc1c(F)cnc(N[C@@H]2CC[NH2+][C@@H]2C)c1[N+](=O)[O-] ZINC001162666313 939110455 /nfs/dbraw/zinc/11/04/55/939110455.db2.gz AQFGLMOQEJDROS-VXNVDRBHSA-N 1 0 254.265 1.600 20 5 CDBDRO [NH3+][C@H]1COC[C@H]1Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC001162925242 939161843 /nfs/dbraw/zinc/16/18/43/939161843.db2.gz UWHCGTHNWOZJHF-GXSJLCMTSA-N 1 0 274.280 1.281 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1N[C@@H](C)C[NH+](C)C ZINC001163776752 939329096 /nfs/dbraw/zinc/32/90/96/939329096.db2.gz JSFPUTFJYDDCDR-QMMMGPOBSA-N 1 0 254.290 1.360 20 5 CDBDRO C[NH+](C)C1CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])C1 ZINC001163933588 939356463 /nfs/dbraw/zinc/35/64/63/939356463.db2.gz KFCGWDCALGDLJF-UHFFFAOYSA-N 1 0 292.126 1.442 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ccnc1-n1cnc2c1C[NH2+]CC2 ZINC001164310095 939451182 /nfs/dbraw/zinc/45/11/82/939451182.db2.gz HDOZPHDMADYREQ-UHFFFAOYSA-N 1 0 279.687 1.475 20 5 CDBDRO COc1cc(N2CC[N@H+](C(C)C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC001165199269 939522949 /nfs/dbraw/zinc/52/29/49/939522949.db2.gz MYPQNDSSHKWNMP-LLVKDONJSA-N 1 0 294.355 1.917 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)cc1-n1ncc2c1CC[NH2+]C2 ZINC001165218859 939526353 /nfs/dbraw/zinc/52/63/53/939526353.db2.gz QKFNZFVQYUYTKU-UHFFFAOYSA-N 1 0 279.687 1.475 20 5 CDBDRO Nc1nc(N2CCC3(CCCC[NH2+]3)CC2)ccc1[N+](=O)[O-] ZINC001165247759 939533107 /nfs/dbraw/zinc/53/31/07/939533107.db2.gz YGQRPMIUAIJREM-UHFFFAOYSA-N 1 0 291.355 1.685 20 5 CDBDRO O=[N+]([O-])c1cc(N2CCC[C@H]3[NH2+]C[C@H]32)nc2[nH]ccc21 ZINC001165394796 939558508 /nfs/dbraw/zinc/55/85/08/939558508.db2.gz RFQUWFKTSJHRCS-MWLCHTKSSA-N 1 0 273.296 1.412 20 5 CDBDRO CN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])C1C[NH2+]C1 ZINC001166978052 939665963 /nfs/dbraw/zinc/66/59/63/939665963.db2.gz JUDQTHLZPHUJFK-UHFFFAOYSA-N 1 0 277.111 1.705 20 5 CDBDRO CC(C)[NH2+]CCc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001205729587 939928570 /nfs/dbraw/zinc/92/85/70/939928570.db2.gz WRYNHCYBVCHWFY-UHFFFAOYSA-N 1 0 295.274 1.719 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401222258 940865576 /nfs/dbraw/zinc/86/55/76/940865576.db2.gz VGQXUVRUWPEMFJ-BDAKNGLRSA-N 1 0 254.265 1.811 20 5 CDBDRO O=[N+]([O-])c1ncc(Br)cc1O[C@H]1CC[NH2+]C1 ZINC001218181173 941042616 /nfs/dbraw/zinc/04/26/16/941042616.db2.gz IRWXVZDIBAVZNA-ZETCQYMHSA-N 1 0 288.101 1.493 20 5 CDBDRO COC(=O)c1cccc(CO[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC001217824189 941021431 /nfs/dbraw/zinc/02/14/31/941021431.db2.gz NICUCLXXGWHKRG-JTQLQIEISA-N 1 0 280.280 1.260 20 5 CDBDRO Nc1ccc(O[C@H]2CC[NH2+]CC[C@@H]2F)cc1[N+](=O)[O-] ZINC001218026874 941036402 /nfs/dbraw/zinc/03/64/02/941036402.db2.gz WAWHFIHWSWXLSJ-CABZTGNLSA-N 1 0 269.276 1.646 20 5 CDBDRO Nc1ccc(O[C@@H]2CC[NH2+]CC[C@H]2F)cc1[N+](=O)[O-] ZINC001218026873 941036462 /nfs/dbraw/zinc/03/64/62/941036462.db2.gz WAWHFIHWSWXLSJ-BXKDBHETSA-N 1 0 269.276 1.646 20 5 CDBDRO O=c1cc(O[C@H]2CC[NH2+]C2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001218179756 941042410 /nfs/dbraw/zinc/04/24/10/941042410.db2.gz KFQCMGMBFAMMQU-VIFPVBQESA-N 1 0 275.264 1.589 20 5 CDBDRO CN(C)c1ccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001222711414 941628607 /nfs/dbraw/zinc/62/86/07/941628607.db2.gz GLAHZKJHKRMZJH-OAHLLOKOSA-N 1 0 295.403 1.253 20 5 CDBDRO C[N@@H+]1[C@@H]2C[C@H](OCc3ccc([N+](=O)[O-])cc3)[C@H]1CC(=O)C2 ZINC001222790805 941634538 /nfs/dbraw/zinc/63/45/38/941634538.db2.gz CUQIHOLXSHXRPL-CFVMTHIKSA-N 1 0 290.319 1.916 20 5 CDBDRO COC(=O)[C@@H](O[C@H]1CC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC001223638874 941689143 /nfs/dbraw/zinc/68/91/43/941689143.db2.gz ABWVCUZTILHDEE-GWCFXTLKSA-N 1 0 294.307 1.530 20 5 CDBDRO COC(=O)c1ccnc(CO[C@@H](C)C[N+](C)(C)C)c1 ZINC001223989005 941712648 /nfs/dbraw/zinc/71/26/48/941712648.db2.gz CWKFUBBBUYKFNU-NSHDSACASA-N 1 0 267.349 1.480 20 5 CDBDRO CCc1c(C)nc2n(c1=O)CCC[C@@H]2OCC[N+](C)(C)C ZINC001224771151 941790145 /nfs/dbraw/zinc/79/01/45/941790145.db2.gz HNLZMPYZLIWGLB-AWEZNQCLSA-N 1 0 294.419 1.672 20 5 CDBDRO C[N+](C)(C)CCO[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC001224776047 941790450 /nfs/dbraw/zinc/79/04/50/941790450.db2.gz RPLFJIRVXMDCBU-ZDUSSCGKSA-N 1 0 295.363 1.291 20 5 CDBDRO C[C@@H](C[NH+](C)C)OCC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC001224987249 941811458 /nfs/dbraw/zinc/81/14/58/941811458.db2.gz OXJXISKKDUIFAE-NSHDSACASA-N 1 0 296.323 1.605 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OC/C=C/C(=O)OC(C)(C)C ZINC001224998225 941812518 /nfs/dbraw/zinc/81/25/18/941812518.db2.gz PMTYEHCTUKZSRC-BCPZQOPPSA-N 1 0 258.382 1.996 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncnc2ccsc21 ZINC001226622701 942036224 /nfs/dbraw/zinc/03/62/24/942036224.db2.gz GAIRKQDQOOJWLR-SECBINFHSA-N 1 0 296.372 1.054 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1O[C@H](C)CN1CCOCC1 ZINC001227185576 942146210 /nfs/dbraw/zinc/14/62/10/942146210.db2.gz UVVIIPPTYMBBCF-LLVKDONJSA-N 1 0 296.323 1.703 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2ccc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001227295040 942164010 /nfs/dbraw/zinc/16/40/10/942164010.db2.gz IBLTVALNZVIEDK-NSHDSACASA-N 1 0 294.307 1.854 20 5 CDBDRO COC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)c([N+](=O)[O-])c1 ZINC001227297908 942165392 /nfs/dbraw/zinc/16/53/92/942165392.db2.gz HSMZZDPLSXWCNJ-JTQLQIEISA-N 1 0 297.331 1.855 20 5 CDBDRO Cc1cc2cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc2[nH]1 ZINC001228451045 942319225 /nfs/dbraw/zinc/31/92/25/942319225.db2.gz NTLVZSLCBYQOQK-CYBMUJFWSA-N 1 0 291.371 1.839 20 5 CDBDRO CN1CCO[C@H](COc2cc([N+](=O)[O-])ccc2O)C1 ZINC001229396747 942464921 /nfs/dbraw/zinc/46/49/21/942464921.db2.gz YPVUZZGQAWDXFW-JTQLQIEISA-N 1 0 268.269 1.010 20 5 CDBDRO Cc1cc(F)c(F)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001230447086 942619485 /nfs/dbraw/zinc/61/94/85/942619485.db2.gz PCILLPMELXHGJL-SNVBAGLBSA-N 1 0 288.314 1.636 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc2ccccc2[nH]1 ZINC001230739984 942687071 /nfs/dbraw/zinc/68/70/71/942687071.db2.gz HFLXJBFREKJHSE-GFCCVEGCSA-N 1 0 277.344 1.531 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2ccc(Cl)nc2[N+](=O)[O-])C1 ZINC001230871922 942717968 /nfs/dbraw/zinc/71/79/68/942717968.db2.gz HTVNTMOQMBWKMI-SSDOTTSWSA-N 1 0 257.677 1.726 20 5 CDBDRO COC(=O)c1c(C)cc(O)cc1O[C@@H](C)C[N+](C)(C)C ZINC001230875601 942719830 /nfs/dbraw/zinc/71/98/30/942719830.db2.gz WYNJGZCZLNSHHV-NSHDSACASA-O 1 0 282.360 1.961 20 5 CDBDRO Cc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc2c[nH]nc21 ZINC001230910878 942732099 /nfs/dbraw/zinc/73/20/99/942732099.db2.gz WTOZORZRHZHCHB-GFCCVEGCSA-N 1 0 292.359 1.234 20 5 CDBDRO COCC(=O)NCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001230939135 942737957 /nfs/dbraw/zinc/73/79/57/942737957.db2.gz ACDFXUQAIMERAI-UHFFFAOYSA-N 1 0 295.339 1.179 20 5 CDBDRO C[N@@H+]1CC[C@H](Oc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001231053262 942769218 /nfs/dbraw/zinc/76/92/18/942769218.db2.gz NBWPHZJQBXSTNF-VIFPVBQESA-N 1 0 274.280 1.621 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[C@H]1C[NH3+] ZINC001263214897 943792074 /nfs/dbraw/zinc/79/20/74/943792074.db2.gz XULXPERYNMXLOI-UWVGGRQHSA-N 1 0 295.314 1.791 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(F)c(C(N)=O)c(F)c1 ZINC001234593880 943906952 /nfs/dbraw/zinc/90/69/52/943906952.db2.gz SUKCNNYFSGSXIL-QMMMGPOBSA-O 1 0 273.303 1.537 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC([NH+](C)C)C1 ZINC001262337466 946589691 /nfs/dbraw/zinc/58/96/91/946589691.db2.gz OXBJNKQDSNZYMA-UHFFFAOYSA-N 1 0 295.364 1.703 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC(=O)N1 ZINC001254534748 947516523 /nfs/dbraw/zinc/51/65/23/947516523.db2.gz CMGKOOYFQFDVQV-ZYHUDNBSSA-N 1 0 277.324 1.394 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N(C)OCC[NH3+] ZINC001254540194 947517971 /nfs/dbraw/zinc/51/79/71/947517971.db2.gz PZVUTNDMLABWBJ-SNVBAGLBSA-N 1 0 253.302 1.348 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCCCO)C2 ZINC001254569511 947530515 /nfs/dbraw/zinc/53/05/15/947530515.db2.gz YYJCZNHUMMSEQF-GFCCVEGCSA-N 1 0 250.298 1.424 20 5 CDBDRO CC(C)C[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254574539 947533826 /nfs/dbraw/zinc/53/38/26/947533826.db2.gz IBAJXDXXHCHUJN-TZMCWYRMSA-N 1 0 291.351 1.552 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1OCCO1)C2 ZINC001254575474 947535208 /nfs/dbraw/zinc/53/52/08/947535208.db2.gz QXVOKROEYFNDPC-LLVKDONJSA-N 1 0 264.281 1.025 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]CC12CC2 ZINC001246135180 947978897 /nfs/dbraw/zinc/97/88/97/947978897.db2.gz SVKOQVCOXMIPFT-SMDDNHRTSA-N 1 0 275.352 1.867 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@H]1C[NH2+]CC12CC2 ZINC001246135177 947979358 /nfs/dbraw/zinc/97/93/58/947979358.db2.gz SVKOQVCOXMIPFT-RISCZKNCSA-N 1 0 275.352 1.867 20 5 CDBDRO COc1ccc(C[C@H](C)N2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001246522696 948223713 /nfs/dbraw/zinc/22/37/13/948223713.db2.gz FYGCJLJLHYKPQO-LBPRGKRZSA-N 1 0 293.367 1.830 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(C1CC1)C1C[NH2+]C1 ZINC001246864873 948491928 /nfs/dbraw/zinc/49/19/28/948491928.db2.gz PTDLONMBHHBZPO-NSHDSACASA-N 1 0 275.352 1.962 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247622020 948686372 /nfs/dbraw/zinc/68/63/72/948686372.db2.gz GMLQYPFKECFFJP-YUMQZZPRSA-N 1 0 293.258 1.774 20 5 CDBDRO CC(C)(C)[NH2+]CC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001324499504 953417895 /nfs/dbraw/zinc/41/78/95/953417895.db2.gz XOXORDHGUJFAKC-UHFFFAOYSA-N 1 0 279.340 1.642 20 5 CDBDRO CC[C@]1(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[NH2+]C1 ZINC001326132680 954228692 /nfs/dbraw/zinc/22/86/92/954228692.db2.gz KVZVLKQXXRGGOV-HNNXBMFYSA-N 1 0 289.335 1.874 20 5 CDBDRO CC1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C[NH2+]C1 ZINC001326535894 954422690 /nfs/dbraw/zinc/42/26/90/954422690.db2.gz DEGIKESIURIVGC-UHFFFAOYSA-N 1 0 261.281 1.047 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[C@@H](C)[NH2+]C ZINC001327087633 954697841 /nfs/dbraw/zinc/69/78/41/954697841.db2.gz QMVYZUURMADMMT-SNVBAGLBSA-N 1 0 295.339 1.721 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC001329484230 955942750 /nfs/dbraw/zinc/94/27/50/955942750.db2.gz NZFZNNLMYMZJJW-SECBINFHSA-N 1 0 283.303 1.770 20 5 CDBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2nn(C)cc2[N+](=O)[O-])C1 ZINC001306917047 956350732 /nfs/dbraw/zinc/35/07/32/956350732.db2.gz BXCFOCSTRZGOIX-NSHDSACASA-N 1 0 297.359 1.097 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001307214708 956379345 /nfs/dbraw/zinc/37/93/45/956379345.db2.gz QEIVKHYAQOURSR-GFCCVEGCSA-N 1 0 287.323 1.479 20 5 CDBDRO C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001307884943 956452043 /nfs/dbraw/zinc/45/20/43/956452043.db2.gz WQHMCSTYYBVWGD-SCVCMEIPSA-N 1 0 292.339 1.464 20 5 CDBDRO CN(C)c1ccccc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC001308316397 956515108 /nfs/dbraw/zinc/51/51/08/956515108.db2.gz LIDBYEYVZXVSGU-UHFFFAOYSA-N 1 0 289.339 1.647 20 5 CDBDRO CC(C)c1ccc(C(=O)NOCC[NH+](C)C)cc1[N+](=O)[O-] ZINC001330817976 956646762 /nfs/dbraw/zinc/64/67/62/956646762.db2.gz BQLNPWIQXYZDDB-UHFFFAOYSA-N 1 0 295.339 1.941 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CC=CC1 ZINC001319096939 958374655 /nfs/dbraw/zinc/37/46/55/958374655.db2.gz CJPSICSHYDTYFS-UHFFFAOYSA-N 1 0 275.308 1.125 20 5 CDBDRO Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC[N+](=O)[O-])n1 ZINC001334615608 959240834 /nfs/dbraw/zinc/24/08/34/959240834.db2.gz QACRRIOMQCKHQT-LBPRGKRZSA-N 1 0 264.329 1.543 20 5 CDBDRO CC[C@@H](CNc1cc(N)c([N+](=O)[O-])cn1)[NH+]1CCCC1 ZINC001336479376 960362507 /nfs/dbraw/zinc/36/25/07/960362507.db2.gz SDNVQLDQKOHYJP-JTQLQIEISA-N 1 0 279.344 1.858 20 5 CDBDRO O=[N+]([O-])c1cc(CO)c(N[C@H]2C[NH+]3CCC2CC3)cc1F ZINC001337316098 961108762 /nfs/dbraw/zinc/10/87/62/961108762.db2.gz ONJOOUNVMNVITO-ZDUSSCGKSA-N 1 0 295.314 1.732 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH2+]C1CC1 ZINC001340535490 962992239 /nfs/dbraw/zinc/99/22/39/962992239.db2.gz ZSDMYILUXXMNME-UHFFFAOYSA-N 1 0 293.323 1.475 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC001341276607 963347764 /nfs/dbraw/zinc/34/77/64/963347764.db2.gz GWBOQZCPRXXDAL-QWHCGFSZSA-N 1 0 289.335 1.585 20 5 CDBDRO C[C@H]([NH3+])CN(C)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001342336623 963715176 /nfs/dbraw/zinc/71/51/76/963715176.db2.gz CRSSMCPDAQOINZ-BIMULSAOSA-N 1 0 277.324 1.504 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H]2COCC[C@H]2O)cc1[N+](=O)[O-] ZINC000601159635 342484113 /nfs/dbraw/zinc/48/41/13/342484113.db2.gz NJRCRDZBPKBVCS-DGCLKSJQSA-N 1 0 266.297 1.143 20 5 CDBDRO Cc1nn(C)c(N2CC[N@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000601187125 342489352 /nfs/dbraw/zinc/48/93/52/342489352.db2.gz OQOLPAYYRJMICS-UHFFFAOYSA-N 1 0 267.333 1.167 20 5 CDBDRO COCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000167652035 342508939 /nfs/dbraw/zinc/50/89/39/342508939.db2.gz BYMLOZILWXPQBN-UHFFFAOYSA-N 1 0 279.340 1.672 20 5 CDBDRO CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000124425462 187137254 /nfs/dbraw/zinc/13/72/54/187137254.db2.gz YDPRTOAJBUAQDI-LLVKDONJSA-N 1 0 251.286 1.874 20 5 CDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000590403869 342544070 /nfs/dbraw/zinc/54/40/70/342544070.db2.gz OYLSOHQRBYAZHZ-GXFFZTMASA-N 1 0 277.324 1.759 20 5 CDBDRO COc1ccc(CN2C[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000601330304 342554666 /nfs/dbraw/zinc/55/46/66/342554666.db2.gz RIPUHJOSLAUONQ-GXSJLCMTSA-N 1 0 265.313 1.525 20 5 CDBDRO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000564964902 365559210 /nfs/dbraw/zinc/55/92/10/365559210.db2.gz DYGCUCJWQJRBHM-UXIGCNINSA-N 1 0 294.351 1.919 20 5 CDBDRO Cc1c(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000322821605 342567858 /nfs/dbraw/zinc/56/78/58/342567858.db2.gz CLMBUDHSUUGYFX-XYPYZODXSA-N 1 0 277.324 1.903 20 5 CDBDRO CC[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000590646763 342581143 /nfs/dbraw/zinc/58/11/43/342581143.db2.gz IYAWLBDBVRDFNL-CMPLNLGQSA-N 1 0 268.317 1.339 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccsc3[N+](=O)[O-])C[C@@H]21 ZINC000590719127 342585867 /nfs/dbraw/zinc/58/58/67/342585867.db2.gz VWTMLEDMABMXLR-SCZZXKLOSA-N 1 0 253.327 1.797 20 5 CDBDRO O=C(NC[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000273085902 192038933 /nfs/dbraw/zinc/03/89/33/192038933.db2.gz YTEUJGHPXIVTAW-QMMMGPOBSA-N 1 0 283.715 1.588 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000591437748 342631923 /nfs/dbraw/zinc/63/19/23/342631923.db2.gz JXHRDKCZMOMDII-ZYHUDNBSSA-N 1 0 277.324 1.792 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCCC[NH2+]2)n1 ZINC000591429593 342629890 /nfs/dbraw/zinc/62/98/90/342629890.db2.gz DRRMWQJSIKMMSA-SECBINFHSA-N 1 0 294.311 1.330 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]CC1(C)C ZINC000591678335 342641493 /nfs/dbraw/zinc/64/14/93/342641493.db2.gz OQVNIAHZZTWTCR-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO CC1(C)C[C@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591736688 342644934 /nfs/dbraw/zinc/64/49/34/342644934.db2.gz FRNSDXZMSZKFJP-WCQYABFASA-N 1 0 294.351 1.970 20 5 CDBDRO CC1CC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591748081 342645262 /nfs/dbraw/zinc/64/52/62/342645262.db2.gz VFSNFFMQWFDLSG-HTAVTVPLSA-N 1 0 280.324 1.723 20 5 CDBDRO C[C@H](Cn1c(=O)onc1-c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000592349612 342686291 /nfs/dbraw/zinc/68/62/91/342686291.db2.gz PQUIIHRMVPLCNW-SECBINFHSA-N 1 0 292.295 1.362 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000592428606 342695075 /nfs/dbraw/zinc/69/50/75/342695075.db2.gz GESOCOTXLDGCQE-GLIVKDKESA-N 1 0 291.351 1.656 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)[NH3+] ZINC000592546911 342708907 /nfs/dbraw/zinc/70/89/07/342708907.db2.gz JOZIWGNODXMBAM-VIFPVBQESA-N 1 0 265.313 1.597 20 5 CDBDRO CN(CC[NH+]1CCCCC1)c1c([N+](=O)[O-])ncn1C ZINC000593515793 342805531 /nfs/dbraw/zinc/80/55/31/342805531.db2.gz KIRNQYBHGKZHOV-UHFFFAOYSA-N 1 0 267.333 1.250 20 5 CDBDRO COc1ccc(CN[C@@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600677279 342241853 /nfs/dbraw/zinc/24/18/53/342241853.db2.gz BXLHXUKTAYNEFV-CMPLNLGQSA-N 1 0 279.340 1.834 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1(CO)CC1 ZINC000594496352 342914192 /nfs/dbraw/zinc/91/41/92/342914192.db2.gz KSWKZGLCWSCILB-LBPRGKRZSA-N 1 0 262.309 1.944 20 5 CDBDRO CNc1c(C(=O)NCC2([NH2+]C)CCC2)cccc1[N+](=O)[O-] ZINC000600826002 342251781 /nfs/dbraw/zinc/25/17/81/342251781.db2.gz LBFMSQPDWHFNIS-UHFFFAOYSA-N 1 0 292.339 1.508 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000092956484 342270446 /nfs/dbraw/zinc/27/04/46/342270446.db2.gz VORRQLDGKDGTKD-ONGXEEELSA-N 1 0 263.297 1.209 20 5 CDBDRO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000158550129 342290377 /nfs/dbraw/zinc/29/03/77/342290377.db2.gz SHZBSKLZWANCRD-IUCAKERBSA-N 1 0 251.290 1.279 20 5 CDBDRO COC[C@](C)(O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595019526 342995883 /nfs/dbraw/zinc/99/58/83/342995883.db2.gz QKUKBTVRPYXGIJ-QMTHXVAHSA-N 1 0 298.339 1.651 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CC(=O)N(C)C1 ZINC000595029912 342997164 /nfs/dbraw/zinc/99/71/64/342997164.db2.gz AUAJDKLLYNHFGL-UWVGGRQHSA-N 1 0 293.323 1.485 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[NH+](C)C ZINC000595047530 342999322 /nfs/dbraw/zinc/99/93/22/342999322.db2.gz GLUSYRGRPYUMJP-JTQLQIEISA-N 1 0 267.329 1.816 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CO)CCF ZINC000595049118 342999355 /nfs/dbraw/zinc/99/93/55/342999355.db2.gz YBPSMZRVZRQJIY-NXEZZACHSA-N 1 0 286.303 1.975 20 5 CDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@H](O)C1 ZINC000595104212 343004007 /nfs/dbraw/zinc/00/40/07/343004007.db2.gz QTWZGSNZTPCUPY-IRUJWGPZSA-N 1 0 293.323 1.425 20 5 CDBDRO C[NH+](C)CCCNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000057006056 349731336 /nfs/dbraw/zinc/73/13/36/349731336.db2.gz CJWAPOHLVUNMMP-UHFFFAOYSA-N 1 0 280.328 1.346 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1[C@H](C)O ZINC000595773931 343148150 /nfs/dbraw/zinc/14/81/50/343148150.db2.gz XVKBXOBLODKDLG-GXFFZTMASA-N 1 0 280.324 1.949 20 5 CDBDRO Cc1cnc(N[C@@H](C)CN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000078660579 342339405 /nfs/dbraw/zinc/33/94/05/342339405.db2.gz CLBAOYGTPFYSQB-LBPRGKRZSA-N 1 0 293.371 1.346 20 5 CDBDRO COc1cccc([N+](=O)[O-])c1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000596015683 343219013 /nfs/dbraw/zinc/21/90/13/343219013.db2.gz GKUMKUXNACGOAE-WDEREUQCSA-N 1 0 277.324 1.792 20 5 CDBDRO O=[N+]([O-])c1cncc(Cl)c1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000596015875 343219288 /nfs/dbraw/zinc/21/92/88/343219288.db2.gz IFRQXDNESRPHQF-PSASIEDQSA-N 1 0 282.731 1.831 20 5 CDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CC1(C)C ZINC000595912459 343190448 /nfs/dbraw/zinc/19/04/48/343190448.db2.gz MSCOHICTBXLVTD-CMPLNLGQSA-N 1 0 282.344 1.130 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596091000 343234222 /nfs/dbraw/zinc/23/42/22/343234222.db2.gz ZSQSGQTYTFBBHX-SNVBAGLBSA-N 1 0 294.355 1.836 20 5 CDBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596126826 343237773 /nfs/dbraw/zinc/23/77/73/343237773.db2.gz QOBWDEZZZBABLZ-LLVKDONJSA-N 1 0 293.371 1.670 20 5 CDBDRO O=c1[nH]ccc(N2CC[C@H]([NH+]3CC=CC3)C2)c1[N+](=O)[O-] ZINC000596142599 343242148 /nfs/dbraw/zinc/24/21/48/343242148.db2.gz UBBDFMXRURSNRZ-JTQLQIEISA-N 1 0 276.296 1.146 20 5 CDBDRO C[C@H](CCNc1c(C(N)=O)cccc1[N+](=O)[O-])[NH+](C)C ZINC000596429724 343318673 /nfs/dbraw/zinc/31/86/73/343318673.db2.gz IYIRXXHMXFMZBX-SECBINFHSA-N 1 0 280.328 1.446 20 5 CDBDRO Cc1ccc(C[N@H+](C)C[C@H]2COCCO2)cc1[N+](=O)[O-] ZINC000597208299 343474879 /nfs/dbraw/zinc/47/48/79/343474879.db2.gz ZHLDRFJYIRSUOM-ZDUSSCGKSA-N 1 0 280.324 1.750 20 5 CDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C1([NH+](C)C)CC1 ZINC000597629174 343588344 /nfs/dbraw/zinc/58/83/44/343588344.db2.gz ZXUGWIMJWRHLMM-UHFFFAOYSA-N 1 0 291.351 1.690 20 5 CDBDRO CCc1n[nH]c(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c1[N+](=O)[O-] ZINC000597700550 343603468 /nfs/dbraw/zinc/60/34/68/343603468.db2.gz NJFHJCATRYCEBS-WCBMZHEXSA-N 1 0 295.343 1.045 20 5 CDBDRO Cc1c(CC(=O)NCC[C@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000597994409 343683610 /nfs/dbraw/zinc/68/36/10/343683610.db2.gz XXXKBEQGJYZXQM-NSHDSACASA-N 1 0 293.367 1.902 20 5 CDBDRO C[C@@H](CCNC(=O)COc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000597998146 343685174 /nfs/dbraw/zinc/68/51/74/343685174.db2.gz PFUDDZCCMZJWEV-NSHDSACASA-N 1 0 295.339 1.430 20 5 CDBDRO [NH3+]CC1(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000111831842 365797474 /nfs/dbraw/zinc/79/74/74/365797474.db2.gz NDPPZHPWMJCCBV-VMPITWQZSA-N 1 0 289.335 1.996 20 5 CDBDRO C[C@]1(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[NH2+]C1 ZINC000598915142 343919501 /nfs/dbraw/zinc/91/95/01/343919501.db2.gz IMGLZTWDSLWVTG-LBPRGKRZSA-N 1 0 282.275 1.607 20 5 CDBDRO Cc1ccc(NC(=O)NC[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000599585249 344094002 /nfs/dbraw/zinc/09/40/02/344094002.db2.gz DPIHWOGLFAGMRC-NSHDSACASA-N 1 0 294.311 1.013 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601557208 344191146 /nfs/dbraw/zinc/19/11/46/344191146.db2.gz NAPHBTGWZBDXSU-DGCLKSJQSA-N 1 0 289.335 1.809 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601559703 344191609 /nfs/dbraw/zinc/19/16/09/344191609.db2.gz VVKHJZGQCJIPPE-TZMCWYRMSA-N 1 0 289.335 1.809 20 5 CDBDRO C[C@H]([NH3+])C1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000602427393 344422336 /nfs/dbraw/zinc/42/23/36/344422336.db2.gz GMVFLEGWXHUIDA-VIFPVBQESA-N 1 0 295.314 1.933 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602484394 344448869 /nfs/dbraw/zinc/44/88/69/344448869.db2.gz OKPGNMKEBYODJC-ZETCQYMHSA-N 1 0 255.249 1.201 20 5 CDBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1c(F)cccc1[N+](=O)[O-] ZINC000602492145 344450828 /nfs/dbraw/zinc/45/08/28/344450828.db2.gz SMPTWYCEEIFKTD-NSHDSACASA-N 1 0 293.298 1.606 20 5 CDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000602525494 344453988 /nfs/dbraw/zinc/45/39/88/344453988.db2.gz CBKJWYXFXLNFKS-JTQLQIEISA-N 1 0 283.353 1.726 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]CC2CCSCC2)c1 ZINC000602566828 344483442 /nfs/dbraw/zinc/48/34/42/344483442.db2.gz BQSMMAIJLYNELM-UHFFFAOYSA-N 1 0 270.358 1.524 20 5 CDBDRO Cc1cccc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1[N+](=O)[O-] ZINC000602605897 344490696 /nfs/dbraw/zinc/49/06/96/344490696.db2.gz UUVDLVGZRMIMEE-UWVGGRQHSA-N 1 0 261.281 1.090 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2(CO)CCC2)cc1 ZINC000602607163 344491354 /nfs/dbraw/zinc/49/13/54/344491354.db2.gz HGVZZZFJWDZWKB-UHFFFAOYSA-N 1 0 264.325 1.890 20 5 CDBDRO CO[C@@]1(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])CCOC1 ZINC000602659229 344518304 /nfs/dbraw/zinc/51/83/04/344518304.db2.gz KFFJOGDUPQBUJG-CQSZACIVSA-N 1 0 295.339 1.165 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C1CCC(CO)CC1 ZINC000602799317 344589333 /nfs/dbraw/zinc/58/93/33/344589333.db2.gz RRRNSRYMOBMYHP-UHFFFAOYSA-N 1 0 296.371 1.583 20 5 CDBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CN(C)CCO1 ZINC000154854511 362453111 /nfs/dbraw/zinc/45/31/11/362453111.db2.gz JUVGQLQFTWEHFU-ZANVPECISA-N 1 0 283.303 1.865 20 5 CDBDRO CC[N@@H+]1CCN(CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602826552 344612210 /nfs/dbraw/zinc/61/22/10/344612210.db2.gz BUNRJSJAOCBWPK-NSHDSACASA-N 1 0 281.360 1.126 20 5 CDBDRO O=[N+]([O-])c1ccsc1NC[C@@H]1CSCC[NH2+]1 ZINC000603418235 344807744 /nfs/dbraw/zinc/80/77/44/344807744.db2.gz FBUNOQCNVALTGF-SSDOTTSWSA-N 1 0 259.356 1.773 20 5 CDBDRO C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000057715821 347084784 /nfs/dbraw/zinc/08/47/84/347084784.db2.gz JHJROUOOVYYEIC-SNVBAGLBSA-N 1 0 277.324 1.807 20 5 CDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)C1CC[NH+](C)CC1 ZINC000604552853 344902964 /nfs/dbraw/zinc/90/29/64/344902964.db2.gz YUVJGHBLUIBPEE-JTQLQIEISA-N 1 0 294.355 1.393 20 5 CDBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](O)CC2)c1 ZINC000293037004 362526668 /nfs/dbraw/zinc/52/66/68/362526668.db2.gz GPRTVSBMGOTQHV-ZDUSSCGKSA-N 1 0 250.298 1.942 20 5 CDBDRO CC(C)(CO)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000618572096 345063126 /nfs/dbraw/zinc/06/31/26/345063126.db2.gz WJUBWDLXXQXDQP-RYUDHWBXSA-N 1 0 296.371 1.883 20 5 CDBDRO C[NH+](C)C(C)(C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000041297601 345107199 /nfs/dbraw/zinc/10/71/99/345107199.db2.gz NJLQULDOPJYJGC-UHFFFAOYSA-N 1 0 279.340 1.594 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cn1 ZINC000609797241 346001083 /nfs/dbraw/zinc/00/10/83/346001083.db2.gz XEFPGXQNOUWBMS-STQMWFEESA-N 1 0 292.339 1.025 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2C3CCCC2CCC3)c1 ZINC000610370021 346264950 /nfs/dbraw/zinc/26/49/50/346264950.db2.gz OOOBPKYNSXTIAO-YIZWMMSDSA-N 1 0 294.355 1.559 20 5 CDBDRO CN(CCCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000610473675 346288013 /nfs/dbraw/zinc/28/80/13/346288013.db2.gz YLRXHFNSIDGEPH-UHFFFAOYSA-N 1 0 282.344 1.347 20 5 CDBDRO Cc1nn(C)c(C(=O)N(C)CCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000610473553 346288080 /nfs/dbraw/zinc/28/80/80/346288080.db2.gz CIMXNWBPWNGGRK-UHFFFAOYSA-N 1 0 297.359 1.051 20 5 CDBDRO Cc1nn(C)c(NC[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000037649739 346362725 /nfs/dbraw/zinc/36/27/25/346362725.db2.gz NKLZFXSSDLMVGO-JTQLQIEISA-N 1 0 279.344 1.533 20 5 CDBDRO CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[NH+](C)C ZINC000045308481 346594725 /nfs/dbraw/zinc/59/47/25/346594725.db2.gz RDJVHZJFTNZWOT-SNVBAGLBSA-N 1 0 282.344 1.629 20 5 CDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000611299258 346741603 /nfs/dbraw/zinc/74/16/03/346741603.db2.gz ZFSAFCAQQWIGLO-IUCAKERBSA-N 1 0 295.368 1.833 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CCC[NH3+])c1 ZINC000122215135 347616156 /nfs/dbraw/zinc/61/61/56/347616156.db2.gz HQIJEXXVAZZZOA-UHFFFAOYSA-N 1 0 251.286 1.324 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(N3C[C@H]4C[NH2+]C[C@@H]4C3)c2c1 ZINC000090322990 347653328 /nfs/dbraw/zinc/65/33/28/347653328.db2.gz FSMHDJFOECCNCG-NXEZZACHSA-N 1 0 285.307 1.194 20 5 CDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@@H]12 ZINC000170078296 362856916 /nfs/dbraw/zinc/85/69/16/362856916.db2.gz CSGQQIVXQBZHIZ-XXILOJSOSA-N 1 0 293.298 1.543 20 5 CDBDRO CC(C)(CCC[NH3+])NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000293678179 362917601 /nfs/dbraw/zinc/91/76/01/362917601.db2.gz NOGQPQINXZYRKK-UHFFFAOYSA-N 1 0 295.339 1.607 20 5 CDBDRO CC(C)(O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664988 349128321 /nfs/dbraw/zinc/12/83/21/349128321.db2.gz YGJZMUXSDCEKPT-JTQLQIEISA-N 1 0 280.328 1.247 20 5 CDBDRO O=C(NCCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000074015966 349192365 /nfs/dbraw/zinc/19/23/65/349192365.db2.gz ZECGLOLMKJTSLR-UHFFFAOYSA-N 1 0 280.328 1.529 20 5 CDBDRO C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000090848563 180045375 /nfs/dbraw/zinc/04/53/75/180045375.db2.gz KGXVJHOWCRTRKC-GWCFXTLKSA-N 1 0 266.297 1.397 20 5 CDBDRO Cc1ccc(NC(=O)C[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000091299194 180125801 /nfs/dbraw/zinc/12/58/01/180125801.db2.gz OFCNTQYSDOUKJY-LLVKDONJSA-N 1 0 279.296 1.220 20 5 CDBDRO COCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000107673736 186184367 /nfs/dbraw/zinc/18/43/67/186184367.db2.gz ZLBVCCCHNLSURS-SNVBAGLBSA-N 1 0 266.301 1.122 20 5 CDBDRO CC(C)(C)[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C(N)=O ZINC000109332021 186247750 /nfs/dbraw/zinc/24/77/50/186247750.db2.gz FOXDTCGDHOXINS-LBPRGKRZSA-N 1 0 295.339 1.463 20 5 CDBDRO Cc1cc(C(=O)NCC[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000110794520 186325106 /nfs/dbraw/zinc/32/51/06/186325106.db2.gz RUFDWTGFPSXKLN-NSHDSACASA-N 1 0 277.324 1.633 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000110796314 186325154 /nfs/dbraw/zinc/32/51/54/186325154.db2.gz IPAPBNIKNUAACI-NSHDSACASA-N 1 0 277.324 1.633 20 5 CDBDRO COCC[C@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000311286210 350665179 /nfs/dbraw/zinc/66/51/79/350665179.db2.gz ZDRADSXFASSUFR-GFCCVEGCSA-N 1 0 268.313 1.124 20 5 CDBDRO O=C(NCC[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000110791568 186324487 /nfs/dbraw/zinc/32/44/87/186324487.db2.gz NAKJFFGKORTKDK-LLVKDONJSA-N 1 0 277.324 1.714 20 5 CDBDRO C[NH2+][C@H](C)c1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000311589624 350696627 /nfs/dbraw/zinc/69/66/27/350696627.db2.gz GILCVRKKZOCUIX-SECBINFHSA-N 1 0 261.285 1.515 20 5 CDBDRO C[C@H](CO)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000111158535 186362435 /nfs/dbraw/zinc/36/24/35/186362435.db2.gz CLXYOSWPPNBVCK-QMMMGPOBSA-N 1 0 258.705 1.966 20 5 CDBDRO Nc1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)nc1[N+](=O)[O-] ZINC000312522550 350783342 /nfs/dbraw/zinc/78/33/42/350783342.db2.gz OSMMFDWSXLPOSB-UWVGGRQHSA-N 1 0 277.328 1.611 20 5 CDBDRO C[C@H]([NH2+]CC(=O)NC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000036782291 363013952 /nfs/dbraw/zinc/01/39/52/363013952.db2.gz FXMQQSHCFXOUHV-VIFPVBQESA-N 1 0 263.297 1.524 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)nc1 ZINC000131675329 187580555 /nfs/dbraw/zinc/58/05/55/187580555.db2.gz CGZGNYJXFROFNN-LBPRGKRZSA-N 1 0 276.340 1.912 20 5 CDBDRO COc1ccc(NC(=O)C[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000136482341 363111224 /nfs/dbraw/zinc/11/12/24/363111224.db2.gz UZCXCXNRRGMIIQ-SECBINFHSA-N 1 0 279.296 1.684 20 5 CDBDRO COc1cccc(C(=O)NC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000411103115 363128523 /nfs/dbraw/zinc/12/85/23/363128523.db2.gz USHLMXJFGURJLW-UHFFFAOYSA-N 1 0 295.339 1.673 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(NC[C@H]3COCC[NH2+]3)ccc2c1 ZINC000236418899 363164677 /nfs/dbraw/zinc/16/46/77/363164677.db2.gz OUGSOZXPGWAAPC-NSHDSACASA-N 1 0 288.307 1.543 20 5 CDBDRO CC[N@H+](CCO)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000267879174 363186323 /nfs/dbraw/zinc/18/63/23/363186323.db2.gz NWGOZCKGZJFAPG-SNVBAGLBSA-N 1 0 281.312 1.236 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000133751629 187705083 /nfs/dbraw/zinc/70/50/83/187705083.db2.gz BYZCJBQKZRNSDZ-SECBINFHSA-N 1 0 283.353 1.789 20 5 CDBDRO Cc1c(CNC(=O)[C@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000231856297 140219526 /nfs/dbraw/zinc/21/95/26/140219526.db2.gz DEEYWXCIOMOPBA-MRVPVSSYSA-N 1 0 251.286 1.114 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)C[NH+](C)C ZINC000292429406 198285599 /nfs/dbraw/zinc/28/55/99/198285599.db2.gz QOZQBPDIUDWHKK-SNVBAGLBSA-N 1 0 295.339 1.531 20 5 CDBDRO CC(C)C[C@H](C[NH3+])NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000155508596 188210847 /nfs/dbraw/zinc/21/08/47/188210847.db2.gz UYQDFXCYWGOMPJ-LLVKDONJSA-N 1 0 294.355 1.496 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000156531415 188267120 /nfs/dbraw/zinc/26/71/20/188267120.db2.gz VSABYORZYZVGTA-MWLCHTKSSA-N 1 0 292.339 1.376 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000157298397 188308385 /nfs/dbraw/zinc/30/83/85/188308385.db2.gz GINAYMCBXFNNPV-SNVBAGLBSA-N 1 0 292.339 1.343 20 5 CDBDRO Cn1cncc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000157984949 188350726 /nfs/dbraw/zinc/35/07/26/188350726.db2.gz DMCSXEWSBRKJPU-UHFFFAOYSA-N 1 0 260.297 1.661 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[NH2+]CC1 ZINC000037011473 363313546 /nfs/dbraw/zinc/31/35/46/363313546.db2.gz DGQBDBDZWZHBEI-UHFFFAOYSA-N 1 0 265.313 1.399 20 5 CDBDRO COc1cc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000165983226 188634299 /nfs/dbraw/zinc/63/42/99/188634299.db2.gz NDFXJGKKPIVDPX-MWLCHTKSSA-N 1 0 293.323 1.413 20 5 CDBDRO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000411925230 363380415 /nfs/dbraw/zinc/38/04/15/363380415.db2.gz SDXGQIKHTNAQJO-STQMWFEESA-N 1 0 280.324 1.485 20 5 CDBDRO CC(C)C[C@@H]([NH3+])C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000236714103 363391983 /nfs/dbraw/zinc/39/19/83/363391983.db2.gz HTAAOWGQBCLTCG-LLVKDONJSA-N 1 0 294.355 1.496 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366443265 363439672 /nfs/dbraw/zinc/43/96/72/363439672.db2.gz SXWXRLUGKUYVHW-ITGUQSILSA-N 1 0 278.308 1.274 20 5 CDBDRO COc1ccc(C[NH2+]C[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000097441031 356154731 /nfs/dbraw/zinc/15/47/31/356154731.db2.gz VGQYIEMDNBDRKI-SNVBAGLBSA-N 1 0 268.313 1.712 20 5 CDBDRO O=C(CC[C@H]1CC[NH2+]C1)NCc1ccc([N+](=O)[O-])cc1 ZINC000134505420 356327442 /nfs/dbraw/zinc/32/74/42/356327442.db2.gz NKDRFQONXGMKBL-LBPRGKRZSA-N 1 0 277.324 1.601 20 5 CDBDRO CO[C@]1(C)CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000366482843 363566713 /nfs/dbraw/zinc/56/67/13/363566713.db2.gz UKHZZQPCRSCIRI-CYBMUJFWSA-N 1 0 282.344 1.719 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293877684 198808223 /nfs/dbraw/zinc/80/82/23/198808223.db2.gz VIEDDUBUCUZZOS-ZJUUUORDSA-N 1 0 265.313 1.864 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000264478873 357334400 /nfs/dbraw/zinc/33/44/00/357334400.db2.gz PRDWXJUYEBQZAI-RYUDHWBXSA-N 1 0 294.355 1.819 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCN2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000360551180 357446336 /nfs/dbraw/zinc/44/63/36/357446336.db2.gz KRLFYLKBSNRJMI-OAHLLOKOSA-N 1 0 291.351 1.659 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360567449 357463190 /nfs/dbraw/zinc/46/31/90/357463190.db2.gz FCTJQGBSCYLJAJ-OAHLLOKOSA-N 1 0 291.351 1.659 20 5 CDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000283374560 357554539 /nfs/dbraw/zinc/55/45/39/357554539.db2.gz RFNUCHWTAONBSK-AWEZNQCLSA-N 1 0 291.351 1.690 20 5 CDBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000185676249 357566012 /nfs/dbraw/zinc/56/60/12/357566012.db2.gz JQRLGMKOEUQBHK-CMPLNLGQSA-N 1 0 252.318 1.912 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000264635385 357582279 /nfs/dbraw/zinc/58/22/79/357582279.db2.gz OZQKXSFEBAIOIG-SYTKJHMZSA-N 1 0 289.335 1.676 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000186699339 357677415 /nfs/dbraw/zinc/67/74/15/357677415.db2.gz KKASABHTNVWYBI-CMPLNLGQSA-N 1 0 292.339 1.121 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000135237033 357800769 /nfs/dbraw/zinc/80/07/69/357800769.db2.gz KLUNMTGYVKYXBY-AAEUAGOBSA-N 1 0 291.351 1.723 20 5 CDBDRO C[C@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000135237640 357801759 /nfs/dbraw/zinc/80/17/59/357801759.db2.gz CRGROYUGPIMEFA-FZMZJTMJSA-N 1 0 291.351 1.723 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000135239070 357802439 /nfs/dbraw/zinc/80/24/39/357802439.db2.gz IIWINTMLZQNLSU-GXFFZTMASA-N 1 0 277.324 1.760 20 5 CDBDRO CCC[N@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072953656 357859479 /nfs/dbraw/zinc/85/94/79/357859479.db2.gz MCHZCGVIDYQULW-UHFFFAOYSA-N 1 0 295.339 1.546 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000567103865 358629105 /nfs/dbraw/zinc/62/91/05/358629105.db2.gz UQWUQRRICTYYLC-SNVBAGLBSA-N 1 0 295.339 1.260 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000264852933 358749226 /nfs/dbraw/zinc/74/92/26/358749226.db2.gz CGKUBAZMSULVHM-LLVKDONJSA-N 1 0 294.355 1.463 20 5 CDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000567673382 358717907 /nfs/dbraw/zinc/71/79/07/358717907.db2.gz UOSIDYKDJMSODU-VHSXEESVSA-N 1 0 295.343 1.059 20 5 CDBDRO CCC[C@@H](O)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567877864 358742236 /nfs/dbraw/zinc/74/22/36/358742236.db2.gz VFZMOIQIYMDADI-VXGBXAGGSA-N 1 0 298.339 1.085 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186687439 358817082 /nfs/dbraw/zinc/81/70/82/358817082.db2.gz QINARFFJUWVIOM-CABZTGNLSA-N 1 0 263.297 1.323 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000265027626 358978318 /nfs/dbraw/zinc/97/83/18/358978318.db2.gz ZJVQAGWZRNDPML-SECBINFHSA-N 1 0 291.311 1.519 20 5 CDBDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000342302476 358991318 /nfs/dbraw/zinc/99/13/18/358991318.db2.gz DIXZFCAKVBZDIN-LBPRGKRZSA-N 1 0 297.380 1.552 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339675058 359426208 /nfs/dbraw/zinc/42/62/08/359426208.db2.gz BXGGLUQAVOHTMN-LLVKDONJSA-N 1 0 264.329 1.950 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](CO)CC(F)(F)F)c1 ZINC000339791708 359444438 /nfs/dbraw/zinc/44/44/38/359444438.db2.gz ZTECDJMYVKDUIR-VIFPVBQESA-N 1 0 278.230 1.998 20 5 CDBDRO COCCOC[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296827867 200008663 /nfs/dbraw/zinc/00/86/63/200008663.db2.gz WETKLSKBOPHAML-FZMZJTMJSA-N 1 0 298.339 1.269 20 5 CDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000050162346 359598407 /nfs/dbraw/zinc/59/84/07/359598407.db2.gz SWXKRWZMTCVSGA-DTWKUNHWSA-N 1 0 266.301 1.041 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000087383795 283452742 /nfs/dbraw/zinc/45/27/42/283452742.db2.gz FRKRFYJXIIWLQE-SNVBAGLBSA-N 1 0 267.260 1.201 20 5 CDBDRO CC[N@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000297250970 200125485 /nfs/dbraw/zinc/12/54/85/200125485.db2.gz VIDXRCOFQBEOJV-NSHDSACASA-N 1 0 279.344 1.471 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+](C)C2)n1 ZINC000166689670 360216928 /nfs/dbraw/zinc/21/69/28/360216928.db2.gz JCSARFJRFWWBAI-SECBINFHSA-N 1 0 294.311 1.140 20 5 CDBDRO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCC1(F)F ZINC000289698930 360235608 /nfs/dbraw/zinc/23/56/08/360235608.db2.gz HGIGOFKONKGOLV-VIFPVBQESA-N 1 0 274.271 1.768 20 5 CDBDRO CC[C@H](C)C[N@H+](CC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248338654 360498172 /nfs/dbraw/zinc/49/81/72/360498172.db2.gz HWPGTWQLCRXNAL-WCQYABFASA-N 1 0 284.360 1.520 20 5 CDBDRO Cc1c(C[N@@H+]2CC[C@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000177995587 189084062 /nfs/dbraw/zinc/08/40/62/189084062.db2.gz XLCMAHHYDCHWPL-ZDUSSCGKSA-N 1 0 250.298 1.860 20 5 CDBDRO CN1CCC[C@@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000225588153 360608768 /nfs/dbraw/zinc/60/87/68/360608768.db2.gz RKJPOSJBAVODDS-SNVBAGLBSA-N 1 0 255.343 1.840 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000162871577 360642506 /nfs/dbraw/zinc/64/25/06/360642506.db2.gz NLFGYBYHBVTDPZ-LLVKDONJSA-N 1 0 294.355 1.640 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)n1 ZINC000267421275 360793052 /nfs/dbraw/zinc/79/30/52/360793052.db2.gz KMIRGKNGJXXIAS-LLVKDONJSA-N 1 0 290.327 1.394 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000178978869 189159086 /nfs/dbraw/zinc/15/90/86/189159086.db2.gz IIKLSUIPTWDNEI-NSHDSACASA-N 1 0 293.323 1.042 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@H+](C)C2CC2)n1 ZINC000166756952 360850633 /nfs/dbraw/zinc/85/06/33/360850633.db2.gz HLORTANHYZNIKF-UHFFFAOYSA-N 1 0 294.311 1.283 20 5 CDBDRO Cc1cc(C(=O)N(C)[C@H](C)C[NH3+])cc([N+](=O)[O-])c1 ZINC000179204416 189177803 /nfs/dbraw/zinc/17/78/03/189177803.db2.gz RBKKRGGDVKEZLS-SECBINFHSA-N 1 0 251.286 1.322 20 5 CDBDRO C[N@@H+]1CC[C@@](O)(CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000358330176 360960059 /nfs/dbraw/zinc/96/00/59/360960059.db2.gz NPJFYKANDWTVLV-GFCCVEGCSA-N 1 0 287.266 1.352 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000168699474 361383742 /nfs/dbraw/zinc/38/37/42/361383742.db2.gz ORXZBMIFYXFFIT-RKDXNWHRSA-N 1 0 281.287 1.543 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000168709815 361414143 /nfs/dbraw/zinc/41/41/43/361414143.db2.gz ZRFPMTAHYWXBDA-DTWKUNHWSA-N 1 0 281.287 1.543 20 5 CDBDRO C[C@H]1C[C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000235693080 361475142 /nfs/dbraw/zinc/47/51/42/361475142.db2.gz QYVZNJCAGOJYCS-JQWIXIFHSA-N 1 0 277.324 1.599 20 5 CDBDRO Cc1c(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000580692142 363938273 /nfs/dbraw/zinc/93/82/73/363938273.db2.gz YJUIJZJTYUICTK-GXTWGEPZSA-N 1 0 280.324 1.078 20 5 CDBDRO C[C@@H]1CC[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000582460638 364090921 /nfs/dbraw/zinc/09/09/21/364090921.db2.gz SQDGIGFYRKDGSV-GFCCVEGCSA-N 1 0 291.351 1.595 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[NH3+])c1 ZINC000088147339 364262609 /nfs/dbraw/zinc/26/26/09/364262609.db2.gz OOBJGBZYSXTVJZ-UHFFFAOYSA-N 1 0 251.286 1.372 20 5 CDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000268139024 364331086 /nfs/dbraw/zinc/33/10/86/364331086.db2.gz KAXCTVQOXIAYDG-ONGXEEELSA-N 1 0 262.313 1.884 20 5 CDBDRO C[C@H]([NH2+]CCc1cnn(C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293743032 364495447 /nfs/dbraw/zinc/49/54/47/364495447.db2.gz NQXGIXHVECGESY-JTQLQIEISA-N 1 0 289.339 1.804 20 5 CDBDRO Cc1cc(C(=O)NC[C@H](C)[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000264263030 364826695 /nfs/dbraw/zinc/82/66/95/364826695.db2.gz UJYPVRRGGMBGIH-VIFPVBQESA-N 1 0 280.328 1.165 20 5 CDBDRO Cc1ccc(C[N@H+](CCO)CCCO)cc1[N+](=O)[O-] ZINC000093323896 365363762 /nfs/dbraw/zinc/36/37/62/365363762.db2.gz QNQGXVLCJJCNEW-UHFFFAOYSA-N 1 0 268.313 1.080 20 5 CDBDRO CC(C)C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[NH+](C)C ZINC000122303774 366972435 /nfs/dbraw/zinc/97/24/35/366972435.db2.gz RYEVCCQCWHQLBV-JTQLQIEISA-N 1 0 297.359 1.034 20 5 CDBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000414828198 241406575 /nfs/dbraw/zinc/40/65/75/241406575.db2.gz LOHAYNIKANXGKM-SNVBAGLBSA-N 1 0 267.304 1.823 20 5 CDBDRO COc1ccc(CN[C@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000414956952 241483302 /nfs/dbraw/zinc/48/33/02/241483302.db2.gz QKNNLXLMYSFBAM-JQWIXIFHSA-N 1 0 279.340 1.834 20 5 CDBDRO CCC[NH+]1CCC(NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000330466924 202861782 /nfs/dbraw/zinc/86/17/82/202861782.db2.gz XFGXRHYABZEEJK-UHFFFAOYSA-N 1 0 295.343 1.231 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000089090988 368827468 /nfs/dbraw/zinc/82/74/68/368827468.db2.gz CTWUXGLWUOZLQB-KOLCDFICSA-N 1 0 263.297 1.452 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000089106352 368974037 /nfs/dbraw/zinc/97/40/37/368974037.db2.gz JOLKAQCAYSTMQW-WPRPVWTQSA-N 1 0 283.353 1.904 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCCN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420337719 244106360 /nfs/dbraw/zinc/10/63/60/244106360.db2.gz JZLWODYVLLOMTL-GXTWGEPZSA-N 1 0 291.351 1.657 20 5 CDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C[C@H](O)C[NH3+] ZINC000420350670 244123792 /nfs/dbraw/zinc/12/37/92/244123792.db2.gz HPHHEOGAQPOETP-CYBMUJFWSA-N 1 0 297.355 1.133 20 5 CDBDRO C[NH2+]CCCN(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000420389848 244190656 /nfs/dbraw/zinc/19/06/56/244190656.db2.gz PNEHMAFOHQEOKR-UHFFFAOYSA-N 1 0 294.355 1.099 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000295233362 369718931 /nfs/dbraw/zinc/71/89/31/369718931.db2.gz OGCVIQBSJLVIAE-LLVKDONJSA-N 1 0 294.355 1.640 20 5 CDBDRO CCC[C@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668503 369785088 /nfs/dbraw/zinc/78/50/88/369785088.db2.gz FRXSANSWAPVCNR-NSHDSACASA-N 1 0 251.286 1.338 20 5 CDBDRO Cc1nc(N[C@H](C)CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000295483841 370387882 /nfs/dbraw/zinc/38/78/82/370387882.db2.gz JMUSWJIRBSLOPX-MRVPVSSYSA-N 1 0 253.306 1.445 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000422637124 245145591 /nfs/dbraw/zinc/14/55/91/245145591.db2.gz XIVOUZQQTLMKHW-LLVKDONJSA-N 1 0 277.324 1.646 20 5 CDBDRO CC[C@H](CO)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000295719141 370589537 /nfs/dbraw/zinc/58/95/37/370589537.db2.gz NXFHPVDUZQEMMK-YPMHNXCESA-N 1 0 298.339 1.037 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000422763985 245227926 /nfs/dbraw/zinc/22/79/26/245227926.db2.gz JMLHXJPCIRXJPZ-ZDUSSCGKSA-N 1 0 291.351 1.656 20 5 CDBDRO COc1cc(C(=O)NC[C@@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1C ZINC000422783017 245252184 /nfs/dbraw/zinc/25/21/84/245252184.db2.gz KKOJZFDEDNDPBV-NSHDSACASA-N 1 0 293.323 1.394 20 5 CDBDRO [NH3+]C1(CO)CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000301268345 371223727 /nfs/dbraw/zinc/22/37/27/371223727.db2.gz ISNUPMYLGSPSFH-UHFFFAOYSA-N 1 0 285.731 1.538 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000194639319 372909110 /nfs/dbraw/zinc/90/91/10/372909110.db2.gz PVZBOPIMGLAVGM-LBPRGKRZSA-N 1 0 291.351 1.975 20 5 CDBDRO Cc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000161389455 373513650 /nfs/dbraw/zinc/51/36/50/373513650.db2.gz RRNLPTUESBXZOC-NWDGAFQWSA-N 1 0 277.324 1.903 20 5 CDBDRO O=C(C[C@@H]1CSCC[NH2+]1)NCc1ccc([N+](=O)[O-])cc1 ZINC000091135350 373747633 /nfs/dbraw/zinc/74/76/33/373747633.db2.gz LSTIUXJUBBXXRK-LLVKDONJSA-N 1 0 295.364 1.306 20 5 CDBDRO Cc1c(NC(=O)C[C@H]2CSCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000091135065 373748591 /nfs/dbraw/zinc/74/85/91/373748591.db2.gz SRKFFTOQEOIPAH-JTQLQIEISA-N 1 0 295.364 1.937 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc(OCC)ccc1[N+](=O)[O-] ZINC000423611124 245937663 /nfs/dbraw/zinc/93/76/63/245937663.db2.gz RPLHWUIEKSRPGS-SNVBAGLBSA-N 1 0 295.339 1.721 20 5 CDBDRO Cn1cc(C(C)(C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000547413821 374162751 /nfs/dbraw/zinc/16/27/51/374162751.db2.gz VIUHYXOPQXZFMX-UHFFFAOYSA-N 1 0 278.316 1.050 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000161849797 374232708 /nfs/dbraw/zinc/23/27/08/374232708.db2.gz AZQMKENFIXPFKO-NEPJUHHUSA-N 1 0 277.324 1.523 20 5 CDBDRO C[C@H](NC(=O)N1CCC[C@H]1C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000418236096 374259403 /nfs/dbraw/zinc/25/94/03/374259403.db2.gz UDWAASMIDZYEAP-GWCFXTLKSA-N 1 0 292.339 1.789 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000312198627 374280075 /nfs/dbraw/zinc/28/00/75/374280075.db2.gz COYXXJWXDDQWIC-BTTAUDESSA-N 1 0 275.308 1.414 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298849648 374234510 /nfs/dbraw/zinc/23/45/10/374234510.db2.gz CBSQZMBOGJOZMK-SECBINFHSA-N 1 0 266.301 1.137 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000066127115 374301775 /nfs/dbraw/zinc/30/17/75/374301775.db2.gz JVNKEVAJUHMMTG-SNVBAGLBSA-N 1 0 295.339 1.761 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[N@@H+]1CCC[C@H](C)C1 ZINC000299043799 374324268 /nfs/dbraw/zinc/32/42/68/374324268.db2.gz SAAZLUXQBFDMPU-QWRGUYRKSA-N 1 0 294.355 1.773 20 5 CDBDRO CC[C@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423833881 246127704 /nfs/dbraw/zinc/12/77/04/246127704.db2.gz BXNRTYVBQIGZPA-JTQLQIEISA-N 1 0 271.704 1.602 20 5 CDBDRO CCCC[C@H]([NH3+])C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423833249 246128588 /nfs/dbraw/zinc/12/85/88/246128588.db2.gz ZREAJSNVVITIJU-LBPRGKRZSA-N 1 0 292.339 1.392 20 5 CDBDRO Cc1sc(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000370165444 374381889 /nfs/dbraw/zinc/38/18/89/374381889.db2.gz VLJZEXRZWLXUCH-NXEZZACHSA-N 1 0 295.364 1.789 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000389751142 374421359 /nfs/dbraw/zinc/42/13/59/374421359.db2.gz KYNMIFZUHRPTOL-QPUJVOFHSA-N 1 0 281.287 1.462 20 5 CDBDRO CO[C@@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CC1 ZINC000425485595 374441747 /nfs/dbraw/zinc/44/17/47/374441747.db2.gz ULRUEMJRRSURCM-ZDUSSCGKSA-N 1 0 294.355 1.853 20 5 CDBDRO CNC(=O)[C@@H](C)C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000081555679 374519542 /nfs/dbraw/zinc/51/95/42/374519542.db2.gz RNLVMKPTYFAYBJ-NSHDSACASA-N 1 0 295.339 1.288 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000424036258 246300481 /nfs/dbraw/zinc/30/04/81/246300481.db2.gz UJKJECLJQNJINL-UHFFFAOYSA-N 1 0 280.328 1.075 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000376645479 374566287 /nfs/dbraw/zinc/56/62/87/374566287.db2.gz UNQVEXJUMDGHLK-VXGBXAGGSA-N 1 0 293.371 1.244 20 5 CDBDRO COCCOC[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296221382 374679246 /nfs/dbraw/zinc/67/92/46/374679246.db2.gz GUJDDVQNBDLYEQ-FZMZJTMJSA-N 1 0 298.339 1.269 20 5 CDBDRO Cc1ccc(C[NH2+][C@H](CO)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000447968771 374728476 /nfs/dbraw/zinc/72/84/76/374728476.db2.gz RUMWOOKKIILYHD-OCCSQVGLSA-N 1 0 280.324 1.533 20 5 CDBDRO CC[N@@H+]1CC[C@@H](N(C)CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000330965000 374877851 /nfs/dbraw/zinc/87/78/51/374877851.db2.gz AIGOWOWGQUPREY-CHWSQXEVSA-N 1 0 295.387 1.596 20 5 CDBDRO C[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000330382913 374849664 /nfs/dbraw/zinc/84/96/64/374849664.db2.gz JGOPGUFOTYLGOU-CHWSQXEVSA-N 1 0 293.367 1.966 20 5 CDBDRO C[C@@]1(O)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000279960493 374976586 /nfs/dbraw/zinc/97/65/86/374976586.db2.gz HCHNXRUOMZYQEV-GFCCVEGCSA-N 1 0 268.317 1.028 20 5 CDBDRO CC1=CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000280701072 375014551 /nfs/dbraw/zinc/01/45/51/375014551.db2.gz CKDCVUGKCOZLHM-UHFFFAOYSA-N 1 0 263.297 1.409 20 5 CDBDRO C[C@H]1C[N@H+](C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332219070 375016735 /nfs/dbraw/zinc/01/67/35/375016735.db2.gz IPICDSMPFLWOMN-JTQLQIEISA-N 1 0 289.339 1.607 20 5 CDBDRO C[N@H+](CCOCCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000282636815 375096649 /nfs/dbraw/zinc/09/66/49/375096649.db2.gz ZAFFFDQOQITAPG-UHFFFAOYSA-N 1 0 288.731 1.689 20 5 CDBDRO CCC[NH2+][C@@H](C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000296248718 375046429 /nfs/dbraw/zinc/04/64/29/375046429.db2.gz CVKUHJOHEBEAJY-NSHDSACASA-N 1 0 279.340 1.642 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000125661833 375050343 /nfs/dbraw/zinc/05/03/43/375050343.db2.gz WHMGAICBGGMNTO-UHFFFAOYSA-N 1 0 251.286 1.276 20 5 CDBDRO CCc1ccc(C(=O)N2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000471946519 375059946 /nfs/dbraw/zinc/05/99/46/375059946.db2.gz MUSAWKWMHGPGOL-LLVKDONJSA-N 1 0 291.351 1.933 20 5 CDBDRO CC[C@@](C)(O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000161841990 375191904 /nfs/dbraw/zinc/19/19/04/375191904.db2.gz YUARZVCDOASBBU-SMDDNHRTSA-N 1 0 294.355 1.637 20 5 CDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCCC1 ZINC000304346239 375431837 /nfs/dbraw/zinc/43/18/37/375431837.db2.gz QJIKBVKXKUTPAF-CQSZACIVSA-N 1 0 296.371 1.807 20 5 CDBDRO Cn1c(C(=O)NCC(C)(C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000344824400 375532184 /nfs/dbraw/zinc/53/21/84/375532184.db2.gz ZYGAAEZPWAPXNB-UHFFFAOYSA-N 1 0 268.317 1.003 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](CO)C2CC2)c1 ZINC000353075411 375573993 /nfs/dbraw/zinc/57/39/93/375573993.db2.gz XNWPXHDVHHTVOH-LBPRGKRZSA-N 1 0 250.298 1.703 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCCN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428040999 247234892 /nfs/dbraw/zinc/23/48/92/247234892.db2.gz YWUVKZQLHLUMKR-CHWSQXEVSA-N 1 0 291.351 1.657 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])o1)C1CC[NH+](C)CC1 ZINC000046468209 375796583 /nfs/dbraw/zinc/79/65/83/375796583.db2.gz MOPGXAUSQGWFRT-UHFFFAOYSA-N 1 0 267.285 1.354 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[NH2+]CC2)c1 ZINC000232237101 375844251 /nfs/dbraw/zinc/84/42/51/375844251.db2.gz VHJVZDKTBLZASC-LLVKDONJSA-N 1 0 277.324 1.775 20 5 CDBDRO Cc1c([C@H](C)[NH2+][C@H]2CCC(=O)NC2)cccc1[N+](=O)[O-] ZINC000358132849 375952962 /nfs/dbraw/zinc/95/29/62/375952962.db2.gz OWPYFGKBHSKAEB-QWRGUYRKSA-N 1 0 277.324 1.832 20 5 CDBDRO C[C@H]([NH2+]C[C@H](O)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000358043994 375948646 /nfs/dbraw/zinc/94/86/46/375948646.db2.gz HFHYJVBCZSGMBI-SUHUHFCYSA-N 1 0 280.324 1.643 20 5 CDBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1c([N+](=O)[O-])ncn1C ZINC000347407678 376104488 /nfs/dbraw/zinc/10/44/88/376104488.db2.gz BCCRAUOILZATKP-JTQLQIEISA-N 1 0 281.360 1.495 20 5 CDBDRO CC(C)([NH3+])CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347410638 376109742 /nfs/dbraw/zinc/10/97/42/376109742.db2.gz QEBIVMMRQXDVLE-UHFFFAOYSA-N 1 0 261.285 1.109 20 5 CDBDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000188493202 376273723 /nfs/dbraw/zinc/27/37/23/376273723.db2.gz XTCAVRODWKQBHZ-NSHDSACASA-N 1 0 279.340 1.860 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC001580655443 1172502329 /nfs/dbraw/zinc/50/23/29/1172502329.db2.gz XFXFCSBNAZUXQM-VIFPVBQESA-N 1 0 266.301 1.042 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063199155 284616878 /nfs/dbraw/zinc/61/68/78/284616878.db2.gz XWRIJZPNDUWUDU-LBPRGKRZSA-N 1 0 292.339 1.527 20 5 CDBDRO COCC[C@](C)(O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000172072529 377244486 /nfs/dbraw/zinc/24/44/86/377244486.db2.gz CUPCMJKZQHCOID-AWEZNQCLSA-N 1 0 282.340 1.780 20 5 CDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]1 ZINC000444132084 250083873 /nfs/dbraw/zinc/08/38/73/250083873.db2.gz ZIHDYFNKUKCDAJ-CYBMUJFWSA-N 1 0 277.324 1.396 20 5 CDBDRO COC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000278694751 194108490 /nfs/dbraw/zinc/10/84/90/194108490.db2.gz QFOCGSPTFXVDBS-KGLIPLIRSA-N 1 0 280.324 1.878 20 5 CDBDRO CC(C)(C)[C@H](CO)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000278733404 194128545 /nfs/dbraw/zinc/12/85/45/194128545.db2.gz LHMPVJWGPSRMMP-ZDUSSCGKSA-N 1 0 282.340 1.970 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001580874946 1172556668 /nfs/dbraw/zinc/55/66/68/1172556668.db2.gz QJEFZUOGAKEPSS-MYJAWHEDSA-N 1 0 251.261 1.611 20 5 CDBDRO CCc1ccc(C(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000173998768 379351264 /nfs/dbraw/zinc/35/12/64/379351264.db2.gz MAFQLHMZPUCUKP-UHFFFAOYSA-N 1 0 279.340 1.839 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000174830385 379587563 /nfs/dbraw/zinc/58/75/63/379587563.db2.gz VCBQHMBUZBEVIF-LLVKDONJSA-N 1 0 290.327 1.394 20 5 CDBDRO CC(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H](CO)C(C)C ZINC000451610356 251771155 /nfs/dbraw/zinc/77/11/55/251771155.db2.gz KGUAYCZTUDDIHD-UONOGXRCSA-N 1 0 298.387 1.670 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261605151 285091956 /nfs/dbraw/zinc/09/19/56/285091956.db2.gz RDIIJGBMBLQQPS-RKDXNWHRSA-N 1 0 282.731 1.689 20 5 CDBDRO COC[C@@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000234899968 285223484 /nfs/dbraw/zinc/22/34/84/285223484.db2.gz OPFHISBCUSNENY-MWLCHTKSSA-N 1 0 254.286 1.253 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000394551322 390186112 /nfs/dbraw/zinc/18/61/12/390186112.db2.gz HZKQYJHURVKGNH-OWSSEVEYSA-N 1 0 263.297 1.460 20 5 CDBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCCF ZINC000282654635 195672019 /nfs/dbraw/zinc/67/20/19/195672019.db2.gz IFOFLHZOLVAIKI-UWVGGRQHSA-N 1 0 283.303 1.720 20 5 CDBDRO CC(C)(O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000070938132 390447342 /nfs/dbraw/zinc/44/73/42/390447342.db2.gz WPYLFGNZBHTQRC-UHFFFAOYSA-N 1 0 279.340 1.488 20 5 CDBDRO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H](C)S1 ZINC000531101385 390557562 /nfs/dbraw/zinc/55/75/62/390557562.db2.gz BXIAJICGEPJFHU-AOOOYVTPSA-N 1 0 270.358 1.617 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(CCOc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000451637691 390638941 /nfs/dbraw/zinc/63/89/41/390638941.db2.gz YDUONBUDJHIWIU-OCCSQVGLSA-N 1 0 291.351 1.610 20 5 CDBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000274064977 533399341 /nfs/dbraw/zinc/39/93/41/533399341.db2.gz QQNZVALRXDJJLU-NEPJUHHUSA-N 1 0 280.324 1.988 20 5 CDBDRO Nc1nc(N2CC[C@@H]([NH+]3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000264587890 391228792 /nfs/dbraw/zinc/22/87/92/391228792.db2.gz LAWAHQIDABELGG-SNVBAGLBSA-N 1 0 292.343 1.032 20 5 CDBDRO Cc1cccc(C(=O)NC[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000133652593 391305071 /nfs/dbraw/zinc/30/50/71/391305071.db2.gz GVBLBALQQFXDOV-SNVBAGLBSA-N 1 0 263.297 1.243 20 5 CDBDRO Cc1cc(NC(=O)N2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000415427901 391411307 /nfs/dbraw/zinc/41/13/07/391411307.db2.gz GUFPNBXFKCQRLH-SNVBAGLBSA-N 1 0 278.312 1.716 20 5 CDBDRO O=C1C[C@@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CN1 ZINC000567178691 391468342 /nfs/dbraw/zinc/46/83/42/391468342.db2.gz NFCINNSDPSRNBV-JOYOIKCWSA-N 1 0 275.308 1.308 20 5 CDBDRO Cc1cccc(N2CC[NH+](CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000218848679 391630645 /nfs/dbraw/zinc/63/06/45/391630645.db2.gz PIIRPMBBXHWZCD-UHFFFAOYSA-N 1 0 293.367 1.796 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]2C(=O)NC[C@H]21 ZINC000343611636 391636258 /nfs/dbraw/zinc/63/62/58/391636258.db2.gz KXLGJQDOEZDFBU-UONOGXRCSA-N 1 0 289.335 1.614 20 5 CDBDRO CC[C@]1(CO)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000189611706 130000834 /nfs/dbraw/zinc/00/08/34/130000834.db2.gz RUCLQXCNFJUCTJ-GFCCVEGCSA-N 1 0 268.317 1.028 20 5 CDBDRO CCN(CCC[NH+](C)C)c1ncccc1[N+](=O)[O-] ZINC000190288219 130085345 /nfs/dbraw/zinc/08/53/45/130085345.db2.gz GGLTWUZUBZMGRG-UHFFFAOYSA-N 1 0 252.318 1.768 20 5 CDBDRO C[C@H]1CSCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000190470138 130107736 /nfs/dbraw/zinc/10/77/36/130107736.db2.gz LOVPMZDISSCBJB-SNVBAGLBSA-N 1 0 270.358 1.476 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000131148981 391806783 /nfs/dbraw/zinc/80/67/83/391806783.db2.gz REERHGOHUYDTOG-UHFFFAOYSA-N 1 0 285.731 1.978 20 5 CDBDRO O=C1NC2(CO1)CC[NH+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000495254344 391908196 /nfs/dbraw/zinc/90/81/96/391908196.db2.gz QXFTVOCTZMMZRX-UHFFFAOYSA-N 1 0 291.307 1.669 20 5 CDBDRO C[N@H+]1C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000193652627 391921701 /nfs/dbraw/zinc/92/17/01/391921701.db2.gz KUEPLABMVORLMR-BETUJISGSA-N 1 0 261.325 1.588 20 5 CDBDRO COC[C@@](C)([NH3+])CNc1ccc(C)cc1[N+](=O)[O-] ZINC000269971410 392001348 /nfs/dbraw/zinc/00/13/48/392001348.db2.gz XODFSNZBTJQXAS-LBPRGKRZSA-N 1 0 253.302 1.679 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]CC2(O)CCCC2)cc1 ZINC000087028919 392105882 /nfs/dbraw/zinc/10/58/82/392105882.db2.gz XKOOUEKPPMCFIK-UHFFFAOYSA-N 1 0 280.324 1.868 20 5 CDBDRO Cc1cccc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000235728781 130953667 /nfs/dbraw/zinc/95/36/67/130953667.db2.gz CQKLJCCZUNEESM-WDEREUQCSA-N 1 0 277.324 1.774 20 5 CDBDRO [NH3+]C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000237859889 131061858 /nfs/dbraw/zinc/06/18/58/131061858.db2.gz RLONDOLZHXRCFS-LBPRGKRZSA-N 1 0 292.339 1.250 20 5 CDBDRO [NH3+]CCCCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000238019163 131072650 /nfs/dbraw/zinc/07/26/50/131072650.db2.gz UYCLCHVMZRLFOY-UHFFFAOYSA-N 1 0 280.328 1.252 20 5 CDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCC[C@H]1CC[NH2+]C1 ZINC000262577995 131235935 /nfs/dbraw/zinc/23/59/35/131235935.db2.gz KQLZVXINMJVXKH-LLVKDONJSA-N 1 0 293.323 1.089 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000262765954 131260385 /nfs/dbraw/zinc/26/03/85/131260385.db2.gz JFMGKJHCFLTSOK-GHMZBOCLSA-N 1 0 277.324 1.726 20 5 CDBDRO COc1cc(N2CC[NH2+]C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000212741215 140160304 /nfs/dbraw/zinc/16/03/04/140160304.db2.gz UGCFQUCGVGJBJI-UHFFFAOYSA-N 1 0 265.313 1.792 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000262979620 131277793 /nfs/dbraw/zinc/27/77/93/131277793.db2.gz YNZFPVJZXGNCTB-QWRGUYRKSA-N 1 0 293.323 1.230 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCc3nnnn3CC2)c1 ZINC000421403010 392935125 /nfs/dbraw/zinc/93/51/25/392935125.db2.gz WPPNLHXMPGZKFR-LLVKDONJSA-N 1 0 288.311 1.076 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000269108523 132113678 /nfs/dbraw/zinc/11/36/78/132113678.db2.gz CVPOWGWQMBQASK-QMMMGPOBSA-N 1 0 283.715 1.682 20 5 CDBDRO C[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000269189874 132128115 /nfs/dbraw/zinc/12/81/15/132128115.db2.gz GWCCQTHTURTRFW-WDEREUQCSA-N 1 0 293.323 1.169 20 5 CDBDRO CC[NH2+]CCN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423235843 392960075 /nfs/dbraw/zinc/96/00/75/392960075.db2.gz BLIFJWMSVHRWFY-RYUDHWBXSA-N 1 0 281.360 1.474 20 5 CDBDRO COCC[NH2+]CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423331610 392962939 /nfs/dbraw/zinc/96/29/39/392962939.db2.gz MRDWZKJHJYWCOS-OAHLLOKOSA-N 1 0 293.367 1.798 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)C1CC([NH3+])C1 ZINC000423707514 392966880 /nfs/dbraw/zinc/96/68/80/392966880.db2.gz OFAACRYZZQZUMW-UHFFFAOYSA-N 1 0 277.324 1.773 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000429973896 393088915 /nfs/dbraw/zinc/08/89/15/393088915.db2.gz OBSMZLRVTQQZJT-CQSZACIVSA-N 1 0 293.323 1.219 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC000430240227 393095464 /nfs/dbraw/zinc/09/54/64/393095464.db2.gz LZOAXEOZFQCMFJ-PWSUYJOCSA-N 1 0 280.324 1.806 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H]1C[NH3+] ZINC000430577783 393101266 /nfs/dbraw/zinc/10/12/66/393101266.db2.gz VGPQFCWEZHZGIP-LLVKDONJSA-N 1 0 292.339 1.265 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430600200 393102203 /nfs/dbraw/zinc/10/22/03/393102203.db2.gz ATXHZFPUTCKWFY-JTQLQIEISA-N 1 0 267.304 1.905 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)C2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000449310529 393133535 /nfs/dbraw/zinc/13/35/35/393133535.db2.gz HILUMGOVUPKFDL-SNVBAGLBSA-N 1 0 277.324 1.962 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000278793437 393142946 /nfs/dbraw/zinc/14/29/46/393142946.db2.gz QMFGTAFIKPHSHW-DTORHVGOSA-N 1 0 282.731 1.641 20 5 CDBDRO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000132585299 393229197 /nfs/dbraw/zinc/22/91/97/393229197.db2.gz NDLRMVHGBIGMIC-VHSXEESVSA-N 1 0 295.314 1.852 20 5 CDBDRO C[C@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000493625984 393216207 /nfs/dbraw/zinc/21/62/07/393216207.db2.gz PCERJPMHMCIOQP-OJIASSBASA-N 1 0 291.351 1.922 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261596527 296501562 /nfs/dbraw/zinc/50/15/62/296501562.db2.gz AHEQAIFBZRWVRV-LBPRGKRZSA-N 1 0 294.330 1.218 20 5 CDBDRO [NH3+]CC[C@@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000226780753 140181316 /nfs/dbraw/zinc/18/13/16/140181316.db2.gz KJXHETREPQWZMK-QMMMGPOBSA-N 1 0 256.331 1.617 20 5 CDBDRO Cc1c(C(=O)NCC2([NH3+])CCC2)cccc1[N+](=O)[O-] ZINC000230065180 140206813 /nfs/dbraw/zinc/20/68/13/140206813.db2.gz BCAGULLLGHOUBO-UHFFFAOYSA-N 1 0 263.297 1.514 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000235632504 140236536 /nfs/dbraw/zinc/23/65/36/140236536.db2.gz KUJLYBHMGHUNOJ-GXSJLCMTSA-N 1 0 263.297 1.322 20 5 CDBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)[NH2+]1 ZINC000261616326 140365186 /nfs/dbraw/zinc/36/51/86/140365186.db2.gz UBYZKNGYBGBSGL-UWVGGRQHSA-N 1 0 267.304 1.916 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000261685429 140375655 /nfs/dbraw/zinc/37/56/55/140375655.db2.gz KGXKSXANIODWIM-GHMZBOCLSA-N 1 0 290.323 1.668 20 5 CDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261761868 140384958 /nfs/dbraw/zinc/38/49/58/140384958.db2.gz UYQWRKXPZRUKJK-NOZJJQNGSA-N 1 0 293.298 1.558 20 5 CDBDRO Cc1cc(C(=O)NC2CCC([NH3+])CC2)c(N)c([N+](=O)[O-])c1 ZINC000262555635 140429722 /nfs/dbraw/zinc/42/97/22/140429722.db2.gz XLQKWUJHBNZZIU-UHFFFAOYSA-N 1 0 292.339 1.485 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000127668031 147564914 /nfs/dbraw/zinc/56/49/14/147564914.db2.gz XBRCBDLGMLUZMK-UHFFFAOYSA-N 1 0 283.303 1.981 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCCC[C@@H]1O ZINC000181469677 148202220 /nfs/dbraw/zinc/20/22/20/148202220.db2.gz RGZVTZWBUOMUCL-RYUDHWBXSA-N 1 0 282.344 1.274 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CO)CCC2)c(F)c1 ZINC000310952811 149206563 /nfs/dbraw/zinc/20/65/63/149206563.db2.gz OGGSPHONHNZOKI-UHFFFAOYSA-N 1 0 254.261 1.739 20 5 CDBDRO C[C@H]([NH2+][C@H]1COC[C@@H]1O)c1ccccc1[N+](=O)[O-] ZINC000323255851 149263279 /nfs/dbraw/zinc/26/32/79/149263279.db2.gz FQVOKDHIKIJUOG-PEXQALLHSA-N 1 0 252.270 1.005 20 5 CDBDRO C[C@H]([NH2+][C@H]1COC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000323315047 149263292 /nfs/dbraw/zinc/26/32/92/149263292.db2.gz SDBALAKOYFRCHE-UWJYBYFXSA-N 1 0 252.270 1.005 20 5 CDBDRO CC[N@H+](CCOC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343670718 152262631 /nfs/dbraw/zinc/26/26/31/152262631.db2.gz VEVBYEYKSPQYAT-UHFFFAOYSA-N 1 0 295.339 1.892 20 5 CDBDRO CC[N@H+](CCCO)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343690432 152268016 /nfs/dbraw/zinc/26/80/16/152268016.db2.gz RBQRTKVACDEAFO-LLVKDONJSA-N 1 0 295.339 1.626 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH+](C)C)c1 ZINC000346139303 153068216 /nfs/dbraw/zinc/06/82/16/153068216.db2.gz OJFUOGXSFVWHJK-SNVBAGLBSA-N 1 0 265.313 1.583 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000346262583 153116166 /nfs/dbraw/zinc/11/61/66/153116166.db2.gz MEOAERQUWVEXNK-LLVKDONJSA-N 1 0 293.367 1.939 20 5 CDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[NH2+]CC2)c1 ZINC000346606257 153242112 /nfs/dbraw/zinc/24/21/12/153242112.db2.gz ADAYARUAYXGFAS-UHFFFAOYSA-N 1 0 287.266 1.601 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@](C)(C[NH3+])C2)n1 ZINC000261567564 292288803 /nfs/dbraw/zinc/28/88/03/292288803.db2.gz IRWDMUOLYCYUBA-GFCCVEGCSA-N 1 0 250.302 1.473 20 5 CDBDRO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@H](C)O ZINC000352223313 155037121 /nfs/dbraw/zinc/03/71/21/155037121.db2.gz VCMMGSCGINYBBO-NSHDSACASA-N 1 0 295.339 1.544 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CC[C@H](CO)O1 ZINC000353709808 156032275 /nfs/dbraw/zinc/03/22/75/156032275.db2.gz SGWRIOSHRFCDRS-SVDKCWMDSA-N 1 0 292.335 1.738 20 5 CDBDRO CCCC[N@H+](C)CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000359024650 158101480 /nfs/dbraw/zinc/10/14/80/158101480.db2.gz BJXRXPXOANRSLF-UHFFFAOYSA-N 1 0 295.343 1.265 20 5 CDBDRO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CC[C@H](C)C1 ZINC000362149695 159084867 /nfs/dbraw/zinc/08/48/67/159084867.db2.gz NHXBWVSOHBZYMG-STQMWFEESA-N 1 0 296.371 1.928 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000003804596 169913409 /nfs/dbraw/zinc/91/34/09/169913409.db2.gz DMPHZODZFSMXTB-UHFFFAOYSA-N 1 0 271.342 1.728 20 5 CDBDRO COCC[C@H](CO)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285310315 196247848 /nfs/dbraw/zinc/24/78/48/196247848.db2.gz SMRONJMDSYCXPZ-MWLCHTKSSA-N 1 0 283.328 1.225 20 5 CDBDRO CCOCC[C@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285265554 196236870 /nfs/dbraw/zinc/23/68/70/196236870.db2.gz IFVDFYXHYLSSSY-AWEZNQCLSA-N 1 0 296.367 1.857 20 5 CDBDRO CC(C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000036949036 172823905 /nfs/dbraw/zinc/82/39/05/172823905.db2.gz WAQNJMCOLTWMSR-SNVBAGLBSA-N 1 0 254.286 1.333 20 5 CDBDRO CO[C@H](C)C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000285569992 196331049 /nfs/dbraw/zinc/33/10/49/196331049.db2.gz HOZUTKBKDVREFX-VXGBXAGGSA-N 1 0 298.339 1.301 20 5 CDBDRO CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[NH+](C)C ZINC000285744833 196385305 /nfs/dbraw/zinc/38/53/05/196385305.db2.gz YJCZDAMHVYCVKE-VIFPVBQESA-N 1 0 283.332 1.024 20 5 CDBDRO C[C@H]([NH3+])CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766552 173695774 /nfs/dbraw/zinc/69/57/74/173695774.db2.gz AIUJRNQJPORILS-IUCAKERBSA-N 1 0 251.286 1.509 20 5 CDBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C ZINC000040676161 174373738 /nfs/dbraw/zinc/37/37/38/174373738.db2.gz MGSGNDHNLKJWNA-JTQLQIEISA-N 1 0 265.313 1.204 20 5 CDBDRO [NH3+][C@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000041029432 174454175 /nfs/dbraw/zinc/45/41/75/174454175.db2.gz RUYSIHYWTWYGTR-NSHDSACASA-N 1 0 253.277 1.657 20 5 CDBDRO Cc1c(C(=O)NC[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000044501893 175185832 /nfs/dbraw/zinc/18/58/32/175185832.db2.gz ZTEWKUAQUVHGMJ-NSHDSACASA-N 1 0 277.324 1.633 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000044501708 175185929 /nfs/dbraw/zinc/18/59/29/175185929.db2.gz JPCDRHFBYJRORS-SECBINFHSA-N 1 0 281.287 1.463 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1C[NH3+] ZINC000044557438 175202531 /nfs/dbraw/zinc/20/25/31/175202531.db2.gz YENNZLNIGMAACI-CYBMUJFWSA-N 1 0 279.340 1.917 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000071142774 176040845 /nfs/dbraw/zinc/04/08/45/176040845.db2.gz ZUTPXSAAIFHHKC-LLVKDONJSA-N 1 0 277.324 1.585 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000071144269 176041475 /nfs/dbraw/zinc/04/14/75/176041475.db2.gz WUDIFLVCDROCEH-SNVBAGLBSA-N 1 0 278.312 1.668 20 5 CDBDRO COC[C@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000071273076 176105226 /nfs/dbraw/zinc/10/52/26/176105226.db2.gz JCRIQHMZPSFWKA-SNVBAGLBSA-N 1 0 274.704 1.345 20 5 CDBDRO COc1ccc(C(=O)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000071397119 176150724 /nfs/dbraw/zinc/15/07/24/176150724.db2.gz PYCHXPCXIBWDQD-JTQLQIEISA-N 1 0 279.296 1.085 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000071397149 176150987 /nfs/dbraw/zinc/15/09/87/176150987.db2.gz VUVVFKDQGHZUQX-QMMMGPOBSA-N 1 0 283.715 1.730 20 5 CDBDRO Cc1cc(N[C@H](C)C[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000078543580 177352316 /nfs/dbraw/zinc/35/23/16/177352316.db2.gz GABFJRGXYXUOQR-CYBMUJFWSA-N 1 0 292.383 1.951 20 5 CDBDRO Cc1c(CNC(=O)N[C@@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000418081682 228015777 /nfs/dbraw/zinc/01/57/77/228015777.db2.gz OLGUGCJERIBPLW-QMMMGPOBSA-N 1 0 266.301 1.050 20 5 CDBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000291488636 263123287 /nfs/dbraw/zinc/12/32/87/263123287.db2.gz GQFXQAGDZXKTGF-LLVKDONJSA-N 1 0 297.359 1.028 20 5 CDBDRO C[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@H+](C)CC[N+](=O)[O-] ZINC001590047352 1173235733 /nfs/dbraw/zinc/23/57/33/1173235733.db2.gz WKVRVRRFQSUPJE-VIFPVBQESA-N 1 0 276.300 1.136 20 5 CDBDRO CC1(NC(=O)c2ccc([N+](=O)[O-])s2)CC[NH2+]CC1 ZINC000189334235 273594841 /nfs/dbraw/zinc/59/48/41/273594841.db2.gz JYPCNOASUFKFAG-UHFFFAOYSA-N 1 0 269.326 1.528 20 5 CDBDRO COC[C@H](O)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193063419 274051263 /nfs/dbraw/zinc/05/12/63/274051263.db2.gz CLJSSZJSBHJOET-HIFRSBDPSA-N 1 0 294.351 1.959 20 5 CDBDRO C[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000275638816 274365911 /nfs/dbraw/zinc/36/59/11/274365911.db2.gz WJZUUWFQMGLXCQ-GFCCVEGCSA-N 1 0 293.367 1.876 20 5 CDBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000235371602 274405961 /nfs/dbraw/zinc/40/59/61/274405961.db2.gz GFBGPTZJYAQCRU-NXEZZACHSA-N 1 0 299.352 1.014 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[NH2+]C1 ZINC000071309943 276746690 /nfs/dbraw/zinc/74/66/90/276746690.db2.gz MLNKLEFIONBZCO-SECBINFHSA-N 1 0 267.260 1.168 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000237126785 277278089 /nfs/dbraw/zinc/27/80/89/277278089.db2.gz JRKCVPMKMAPQIY-VIFPVBQESA-N 1 0 278.312 1.001 20 5 CDBDRO CNc1nc(C(=O)NC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000457235442 277304020 /nfs/dbraw/zinc/30/40/20/277304020.db2.gz JSPYFDJTDJONDS-UHFFFAOYSA-N 1 0 295.343 1.102 20 5 CDBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000346685535 277353476 /nfs/dbraw/zinc/35/34/76/277353476.db2.gz SQAINFHKFWMVHN-ZWNOBZJWSA-N 1 0 278.308 1.978 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000262515997 278250153 /nfs/dbraw/zinc/25/01/53/278250153.db2.gz GIBFBEUYBCXMJU-ZETCQYMHSA-N 1 0 279.321 1.887 20 5 CDBDRO C[C@@H]1SCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC000090549841 279072863 /nfs/dbraw/zinc/07/28/63/279072863.db2.gz QIRRZUHNYHYFBW-QWRGUYRKSA-N 1 0 297.380 1.582 20 5 CDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000046602521 279149188 /nfs/dbraw/zinc/14/91/88/279149188.db2.gz RULAYIIWJUXIJE-LBPRGKRZSA-N 1 0 266.297 1.429 20 5 CDBDRO C[C@H](CC(N)=O)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000358180012 279249339 /nfs/dbraw/zinc/24/93/39/279249339.db2.gz RUZLIBJORZXGDR-LLVKDONJSA-N 1 0 279.340 1.771 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCC[NH+]1CCCC1 ZINC000087006825 279253592 /nfs/dbraw/zinc/25/35/92/279253592.db2.gz RBTPBOZVJYCNKP-UHFFFAOYSA-N 1 0 291.351 1.739 20 5 CDBDRO C[C@H](CO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192721315 279361014 /nfs/dbraw/zinc/36/10/14/279361014.db2.gz ZZZMFULOAVGKLA-RNCFNFMXSA-N 1 0 250.298 1.943 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000237984055 280195817 /nfs/dbraw/zinc/19/58/17/280195817.db2.gz MCLVELRTEUJJNJ-JRBALWBOSA-N 1 0 279.271 1.307 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([C@H](C)[NH3+])CC2)n1 ZINC000162861220 281010343 /nfs/dbraw/zinc/01/03/43/281010343.db2.gz ZFEUJVADLNQDDZ-JTQLQIEISA-N 1 0 264.329 1.862 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000522188854 281091575 /nfs/dbraw/zinc/09/15/75/281091575.db2.gz GKHQRRAAQBIWOE-UHFFFAOYSA-N 1 0 295.295 1.005 20 5 CDBDRO C[C@H]1C[NH+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)S1 ZINC000159852707 292772206 /nfs/dbraw/zinc/77/22/06/292772206.db2.gz LCPVSXATPDIPNL-QWRGUYRKSA-N 1 0 297.380 1.582 20 5 CDBDRO COC[C@@](C)(O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000553473512 290121381 /nfs/dbraw/zinc/12/13/81/290121381.db2.gz GBQNDGRIIXBTTQ-VSKVDJIOSA-N 1 0 280.324 1.595 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCCO1 ZINC000556610846 290275059 /nfs/dbraw/zinc/27/50/59/290275059.db2.gz MNILWOIDJPIUBZ-VXGBXAGGSA-N 1 0 296.323 1.103 20 5 CDBDRO [NH3+][C@H]1C[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000565892990 293705841 /nfs/dbraw/zinc/70/58/41/293705841.db2.gz OFCYFSRIRIVJGU-KLPPZKSPSA-N 1 0 275.308 1.217 20 5 CDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000568370676 294022027 /nfs/dbraw/zinc/02/20/27/294022027.db2.gz AONZXCUPYHZTBK-LBPRGKRZSA-N 1 0 294.355 1.767 20 5 CDBDRO CC(C)([NH3+])c1noc(COc2cccnc2[N+](=O)[O-])n1 ZINC000568389725 294026640 /nfs/dbraw/zinc/02/66/40/294026640.db2.gz XMTXTCWYUJLSGB-UHFFFAOYSA-N 1 0 279.256 1.146 20 5 CDBDRO Cc1c([N+](=O)[O-])ccc(=O)n1CC1CC[NH2+]CC1 ZINC000568863842 294113421 /nfs/dbraw/zinc/11/34/21/294113421.db2.gz TYSAOWCICMKNFZ-UHFFFAOYSA-N 1 0 251.286 1.065 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(=O)n1CC[C@@H]1CC[NH2+]C1 ZINC000568991924 294136690 /nfs/dbraw/zinc/13/66/90/294136690.db2.gz ZJFLJEFOYOSKMR-JTQLQIEISA-N 1 0 251.286 1.065 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(OCC[C@@H]2CC[NH2+]C2)n1 ZINC000571073687 294364484 /nfs/dbraw/zinc/36/44/84/294364484.db2.gz DMUWCNWKARCSQQ-NSHDSACASA-N 1 0 265.313 1.985 20 5 CDBDRO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000573741706 294879382 /nfs/dbraw/zinc/87/93/82/294879382.db2.gz KYQVJBGWGFDSKX-SMDDNHRTSA-N 1 0 289.335 1.793 20 5 CDBDRO Cc1cccc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC000261610189 301998675 /nfs/dbraw/zinc/99/86/75/301998675.db2.gz SHPWMCOYTSYCTL-NWDGAFQWSA-N 1 0 261.325 1.949 20 5 CDBDRO CN1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1=O ZINC000563419424 316304187 /nfs/dbraw/zinc/30/41/87/316304187.db2.gz UYKRRXTVZPBOBS-BXKDBHETSA-N 1 0 275.308 1.402 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000382453495 323641704 /nfs/dbraw/zinc/64/17/04/323641704.db2.gz OUFWLSHGJAVFFN-PWSUYJOCSA-N 1 0 277.324 1.760 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000584114618 327041523 /nfs/dbraw/zinc/04/15/23/327041523.db2.gz HWIRSKICFCNUKW-ZJUUUORDSA-N 1 0 281.312 1.216 20 5 CDBDRO C[NH2+]CCNc1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001167724685 1159578185 /nfs/dbraw/zinc/57/81/85/1159578185.db2.gz SUXTVDRVHNODEE-UHFFFAOYSA-N 1 0 264.260 1.913 20 5 CDBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000452036415 482358941 /nfs/dbraw/zinc/35/89/41/482358941.db2.gz QMDSFYBRCWTWCT-VXGBXAGGSA-N 1 0 282.344 1.729 20 5 CDBDRO Cc1c(CNC(=O)N2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000418077359 533854842 /nfs/dbraw/zinc/85/48/42/533854842.db2.gz HQQQIWWBOCGNTP-GFCCVEGCSA-N 1 0 292.339 1.536 20 5 CDBDRO Cc1c(CNC(=O)NC(C)(C)C[NH3+])cccc1[N+](=O)[O-] ZINC000418085097 533855378 /nfs/dbraw/zinc/85/53/78/533855378.db2.gz WZDOANDJFDQMFO-UHFFFAOYSA-N 1 0 280.328 1.440 20 5 CDBDRO Cc1c(CNC(=O)N[C@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000418081681 533860373 /nfs/dbraw/zinc/86/03/73/533860373.db2.gz OLGUGCJERIBPLW-MRVPVSSYSA-N 1 0 266.301 1.050 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000236817644 519916368 /nfs/dbraw/zinc/91/63/68/519916368.db2.gz JMWQPJRHDAFJIS-UHFFFAOYSA-N 1 0 280.328 1.215 20 5 CDBDRO CCC(CC)(CCO)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000338369629 521422069 /nfs/dbraw/zinc/42/20/69/521422069.db2.gz OPZFNJJIFLNGCH-UHFFFAOYSA-N 1 0 270.333 1.322 20 5 CDBDRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668570 522195764 /nfs/dbraw/zinc/19/57/64/522195764.db2.gz CQDJVYVKJPUIGX-GHMZBOCLSA-N 1 0 279.340 1.988 20 5 CDBDRO CNc1ccc(C(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000055379159 522587939 /nfs/dbraw/zinc/58/79/39/522587939.db2.gz SIEFVVCWFGVFDP-UHFFFAOYSA-N 1 0 280.328 1.318 20 5 CDBDRO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C[NH3+] ZINC000163713054 524270795 /nfs/dbraw/zinc/27/07/95/524270795.db2.gz FFDFRYXNOCXQAX-VHSXEESVSA-N 1 0 295.314 1.791 20 5 CDBDRO COc1ccc(NC(=O)[C@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000157076922 524607352 /nfs/dbraw/zinc/60/73/52/524607352.db2.gz PVBTXPYSWIHZHR-HTQZYQBOSA-N 1 0 267.285 1.525 20 5 CDBDRO C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000235325072 524831639 /nfs/dbraw/zinc/83/16/39/524831639.db2.gz IRLKJRBNKGPIKP-KCJUWKMLSA-N 1 0 264.285 1.406 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000070174959 524858681 /nfs/dbraw/zinc/85/86/81/524858681.db2.gz CQJOLPZYYKZKSI-UWVGGRQHSA-N 1 0 250.302 1.553 20 5 CDBDRO C[C@H]1[N@H+](CCn2cc([N+](=O)[O-])cn2)CCC12CCOCC2 ZINC000363792652 525002926 /nfs/dbraw/zinc/00/29/26/525002926.db2.gz FZNYSOHGQQTQQF-GFCCVEGCSA-N 1 0 294.355 1.682 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000248558041 526262220 /nfs/dbraw/zinc/26/22/20/526262220.db2.gz AGEFUQHPIXTOLX-LEWSCRJBSA-N 1 0 289.335 1.713 20 5 CDBDRO C[NH2+]CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269235422 536440886 /nfs/dbraw/zinc/44/08/86/536440886.db2.gz KLFCDQOAFQMSKZ-UHFFFAOYSA-N 1 0 257.677 1.084 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[NH2+]1 ZINC000052943198 526726723 /nfs/dbraw/zinc/72/67/23/526726723.db2.gz AZHYMOFQXPNKQU-LBPRGKRZSA-N 1 0 263.297 1.353 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH2+]C)C2)c1 ZINC000422705648 535427389 /nfs/dbraw/zinc/42/73/89/535427389.db2.gz CNVNCVYPKQNJCD-JTQLQIEISA-N 1 0 293.323 1.427 20 5 CDBDRO CN(CC[NH3+])C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000424001670 536367585 /nfs/dbraw/zinc/36/75/85/536367585.db2.gz HQSIGDPCUMZBNT-UHFFFAOYSA-N 1 0 263.253 1.372 20 5 CDBDRO CN(CC[NH3+])Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420380851 536368552 /nfs/dbraw/zinc/36/85/52/536368552.db2.gz OMPUZHKKGAXRDY-UHFFFAOYSA-N 1 0 277.284 1.035 20 5 CDBDRO COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000191732405 536862132 /nfs/dbraw/zinc/86/21/32/536862132.db2.gz GHGSDRTVJKMFGX-PWSUYJOCSA-N 1 0 280.324 1.664 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(-c2nc(C3([NH3+])CCC3)no2)c1 ZINC000261795838 536949077 /nfs/dbraw/zinc/94/90/77/536949077.db2.gz GMWCQOZJFKVGNY-UHFFFAOYSA-N 1 0 290.279 1.991 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)C2CC2)c2c(c1)COCO2 ZINC000734161769 575160674 /nfs/dbraw/zinc/16/06/74/575160674.db2.gz YZBAZMYOJUOPFI-CYBMUJFWSA-N 1 0 294.307 1.322 20 5 CDBDRO COC1CCC([N@H+](C)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000734475639 575350238 /nfs/dbraw/zinc/35/02/38/575350238.db2.gz VDILOAFIDGHKRL-UHFFFAOYSA-N 1 0 268.317 1.638 20 5 CDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000771286833 575564674 /nfs/dbraw/zinc/56/46/74/575564674.db2.gz GQHFMLYZKFCBHN-WDEREUQCSA-N 1 0 289.339 1.771 20 5 CDBDRO C[C@@]1(CO)CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000759893724 576441486 /nfs/dbraw/zinc/44/14/86/576441486.db2.gz OJRTVPRXSYXAJI-KBPBESRZSA-N 1 0 280.324 1.475 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](CCO)C2)c1 ZINC000750050088 576973652 /nfs/dbraw/zinc/97/36/52/576973652.db2.gz ALANKIOREVJXIE-WFASDCNBSA-N 1 0 294.351 1.723 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1COC[C@@H]1C ZINC000932487729 617314540 /nfs/dbraw/zinc/31/45/40/617314540.db2.gz CLBDJQUPDGWHDX-CABZTGNLSA-N 1 0 266.297 1.728 20 5 CDBDRO COc1c(O)ccc(CNC[C@@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000893343800 617609595 /nfs/dbraw/zinc/60/95/95/617609595.db2.gz KDQGBMUZOUVEDZ-SECBINFHSA-N 1 0 283.328 1.349 20 5 CDBDRO COc1c(O)ccc(C[N@H+](C)CCCCO)c1[N+](=O)[O-] ZINC000893948536 618214605 /nfs/dbraw/zinc/21/46/05/618214605.db2.gz FGZCJCGMQTWPFR-UHFFFAOYSA-N 1 0 284.312 1.513 20 5 CDBDRO CC[NH2+]CCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841103237 618391982 /nfs/dbraw/zinc/39/19/82/618391982.db2.gz ODZBULILWRNXOQ-UHFFFAOYSA-N 1 0 286.719 1.979 20 5 CDBDRO COc1c(O)ccc(CN(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000894450688 618892838 /nfs/dbraw/zinc/89/28/38/618892838.db2.gz YSQTWIMRYUEKNG-UHFFFAOYSA-N 1 0 283.328 1.302 20 5 CDBDRO CN1CC[C@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000928573227 619423556 /nfs/dbraw/zinc/42/35/56/619423556.db2.gz NLTPLTCINVYKDT-VIFPVBQESA-N 1 0 283.715 1.682 20 5 CDBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1C[N@H+](C)CCN1C ZINC000895245409 619486702 /nfs/dbraw/zinc/48/67/02/619486702.db2.gz ASXSLXJZOAKESP-YGRLFVJLSA-N 1 0 296.346 1.780 20 5 CDBDRO C[C@H](Nc1ccsc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895246750 619493227 /nfs/dbraw/zinc/49/32/27/619493227.db2.gz DINDMFMKFNOXHR-GXSJLCMTSA-N 1 0 284.385 1.703 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([NH3+])C1 ZINC000041029159 621615352 /nfs/dbraw/zinc/61/53/52/621615352.db2.gz MKUNZLGYIKJFRS-NSHDSACASA-N 1 0 265.313 1.527 20 5 CDBDRO O=[N+]([O-])c1cccc(-c2noc(C[C@@H]3CCC[NH2+]3)n2)c1 ZINC000042164132 622078069 /nfs/dbraw/zinc/07/80/69/622078069.db2.gz IXGSJKIRXGBLDB-JTQLQIEISA-N 1 0 274.280 1.939 20 5 CDBDRO Cc1cc(=O)n(C[C@@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000899630677 622337955 /nfs/dbraw/zinc/33/79/55/622337955.db2.gz TZWOBQFFDPSBLQ-LLVKDONJSA-N 1 0 265.313 1.455 20 5 CDBDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903296427 625955701 /nfs/dbraw/zinc/95/57/01/625955701.db2.gz IESLHJBLRGPVOP-MRCXROJRSA-N 1 0 295.339 1.632 20 5 CDBDRO [NH3+]C1(CNCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000904450322 626300973 /nfs/dbraw/zinc/30/09/73/626300973.db2.gz RTBQAPQGMPEDAJ-UHFFFAOYSA-N 1 0 255.705 1.829 20 5 CDBDRO C[N@H+](CCCNCC[N+](=O)[O-])Cc1ccccc1 ZINC000905025480 626389852 /nfs/dbraw/zinc/38/98/52/626389852.db2.gz KYQKTLDDTPUIRV-UHFFFAOYSA-N 1 0 251.330 1.375 20 5 CDBDRO CC(C)(C)OC(=O)N1CC[C@H](CC[NH2+]CC[N+](=O)[O-])C1 ZINC000905098372 626638210 /nfs/dbraw/zinc/63/82/10/626638210.db2.gz RXUIZKZJIOKCPM-NSHDSACASA-N 1 0 287.360 1.500 20 5 CDBDRO Cc1cc(C[C@@H](C)[NH2+]CC[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000905178742 626662972 /nfs/dbraw/zinc/66/29/72/626662972.db2.gz AFYWDFOUWXRSNR-GFCCVEGCSA-N 1 0 288.351 1.978 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000905231007 626685682 /nfs/dbraw/zinc/68/56/82/626685682.db2.gz IIVZPKBKDZVRJG-HUUCEWRRSA-N 1 0 296.342 1.766 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000905269099 626726112 /nfs/dbraw/zinc/72/61/12/626726112.db2.gz ULCJJDZHRRDZAV-UHFFFAOYSA-N 1 0 263.219 1.509 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000905343949 626759964 /nfs/dbraw/zinc/75/99/64/626759964.db2.gz IKXUMTIPBLUJSO-AWEZNQCLSA-N 1 0 260.293 1.740 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911906576 629639907 /nfs/dbraw/zinc/63/99/07/629639907.db2.gz GZGMUGZYZADELQ-MVWJERBFSA-N 1 0 261.281 1.674 20 5 CDBDRO COC(=O)Cc1ccc(NCC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC001170256846 1162319580 /nfs/dbraw/zinc/31/95/80/1162319580.db2.gz ZBUBDEPARWEDJC-UHFFFAOYSA-N 1 0 293.323 1.284 20 5 CDBDRO CC[C@H](O)C[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170297422 1162327964 /nfs/dbraw/zinc/32/79/64/1162327964.db2.gz NZLOYKDYPUYTBW-PWSUYJOCSA-N 1 0 282.340 1.895 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]CC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC001170298156 1162328706 /nfs/dbraw/zinc/32/87/06/1162328706.db2.gz GRXDTXNIZOCENA-SNVBAGLBSA-N 1 0 295.339 1.212 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2COC(=O)C2)c([N+](=O)[O-])c1 ZINC001170304955 1162329128 /nfs/dbraw/zinc/32/91/28/1162329128.db2.gz IMSGXMKUELPZQB-GXSJLCMTSA-N 1 0 294.307 1.440 20 5 CDBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cccnc2[N+](=O)[O-])O1 ZINC001170278259 1162330822 /nfs/dbraw/zinc/33/08/22/1162330822.db2.gz VYIOMMWYZVUPGK-WZRBSPASSA-N 1 0 296.327 1.127 20 5 CDBDRO COc1cnc(N2CCC[C@H]([NH3+])[C@@H]2C)c([N+](=O)[O-])c1 ZINC001157740220 1162370418 /nfs/dbraw/zinc/37/04/18/1162370418.db2.gz FVOMZOGXMLDQHR-WPRPVWTQSA-N 1 0 266.301 1.314 20 5 CDBDRO [NH3+]Cc1cnn(-c2ncnc3cc([N+](=O)[O-])ccc32)c1 ZINC001157472233 1162108133 /nfs/dbraw/zinc/10/81/33/1162108133.db2.gz ZEMMWFQSXRMKMB-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO CC(=O)c1ccc(N2C[C@H]3C[NH2+]C[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC001575040488 1171092312 /nfs/dbraw/zinc/09/23/12/1171092312.db2.gz REQOADZHJRBOJW-DOMZBBRYSA-N 1 0 289.335 1.843 20 5 CDBDRO Cc1nn(C)c(N2CCC[C@H](CC[NH3+])C2)c1[N+](=O)[O-] ZINC000070171256 1171646281 /nfs/dbraw/zinc/64/62/81/1171646281.db2.gz BDIGOOPGJWHKDQ-SNVBAGLBSA-N 1 0 267.333 1.202 20 5 CDBDRO C[NH2+]CC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC001578622375 1171964843 /nfs/dbraw/zinc/96/48/43/1171964843.db2.gz UZXZVHGHNONSFU-UHFFFAOYSA-N 1 0 275.268 1.143 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001578656656 1171974576 /nfs/dbraw/zinc/97/45/76/1171974576.db2.gz LTPWXLJMSUCYKO-JTQLQIEISA-N 1 0 292.339 1.249 20 5 CDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1C[C@@H]1CCC[NH2+]C1 ZINC000074402374 1172041206 /nfs/dbraw/zinc/04/12/06/1172041206.db2.gz GQCCKILIIWQFAC-SECBINFHSA-N 1 0 277.280 1.502 20 5 CDBDRO CO[C@H]1C[C@H](NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC001579133729 1172102949 /nfs/dbraw/zinc/10/29/49/1172102949.db2.gz WEKZBEVSIWEGPZ-MPKXVKKWSA-N 1 0 293.323 1.062 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CC(C)(C)C[NH3+] ZINC001579241706 1172122854 /nfs/dbraw/zinc/12/28/54/1172122854.db2.gz FLZGEUKBTCQNAE-UHFFFAOYSA-N 1 0 295.339 1.595 20 5 CDBDRO Cc1c(NC(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001579541704 1172208821 /nfs/dbraw/zinc/20/88/21/1172208821.db2.gz FHEUEWKOHGCEMF-MWLCHTKSSA-N 1 0 292.339 1.962 20 5 CDBDRO Cc1cc(N[C@H]2CC3(C[NH2+]C3)n3ccnc32)ccc1[N+](=O)[O-] ZINC001579635846 1172231173 /nfs/dbraw/zinc/23/11/73/1172231173.db2.gz LOWCMDXEVYOSDG-LBPRGKRZSA-N 1 0 299.334 1.955 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC001579642725 1172232494 /nfs/dbraw/zinc/23/24/94/1172232494.db2.gz SLQSUVFHJFZYCJ-WDEREUQCSA-N 1 0 292.339 1.416 20 5 CDBDRO Cc1ccc(NC[C@]2(C)C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC001579723684 1172249418 /nfs/dbraw/zinc/24/94/18/1172249418.db2.gz IFOFOHMNDSVVFY-ZDUSSCGKSA-N 1 0 265.313 1.694 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[NH2+]CC12CC2 ZINC001579734553 1172250441 /nfs/dbraw/zinc/25/04/41/1172250441.db2.gz UXIJMZXGKMZGSI-GFCCVEGCSA-N 1 0 290.323 1.777 20 5 CDBDRO O=C([C@@H]1[C@@H]2C[NH2+]CC[C@@H]21)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001580491811 1172452350 /nfs/dbraw/zinc/45/23/50/1172452350.db2.gz RAWXTTZSTNQQCV-MJBXVCDLSA-N 1 0 287.319 1.293 20 5 CDBDRO O=C(OCc1cccc([N+](=O)[O-])c1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001580801608 1172544257 /nfs/dbraw/zinc/54/42/57/1172544257.db2.gz XCGQZVXPEDAEPV-FZMZJTMJSA-N 1 0 276.292 1.638 20 5 CDBDRO O=C(Oc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC001580804487 1172545594 /nfs/dbraw/zinc/54/55/94/1172545594.db2.gz SGWUTCZDXZNVLM-JSGCOSHPSA-N 1 0 276.292 1.890 20 5 CDBDRO O=C([C@@H]1[NH2+]C[C@@H]2C[C@@H]21)N1CCCc2c([N+](=O)[O-])cccc21 ZINC001580807203 1172545770 /nfs/dbraw/zinc/54/57/70/1172545770.db2.gz PPGBFOWYASUSSR-NURSFMCSSA-N 1 0 287.319 1.482 20 5 CDBDRO COCC[C@H]([NH3+])C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000159749179 1178248324 /nfs/dbraw/zinc/24/83/24/1178248324.db2.gz PCKIMZZVTQHWRJ-JTQLQIEISA-N 1 0 281.312 1.514 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC001165037281 721890136 /nfs/dbraw/zinc/89/01/36/721890136.db2.gz AIIZMQKGRNBQID-SNVBAGLBSA-N 1 0 265.317 1.224 20 5 CDBDRO CCN(Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000886854173 758870830 /nfs/dbraw/zinc/87/08/30/758870830.db2.gz DLHCDKJIDWSHOP-JTQLQIEISA-N 1 0 267.304 1.918 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000825196726 758880013 /nfs/dbraw/zinc/88/00/13/758880013.db2.gz NLBMDZWGXQOCMV-ZJUUUORDSA-N 1 0 292.339 1.343 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](CO)CC2CCC2)cc1 ZINC000843118610 758910344 /nfs/dbraw/zinc/91/03/44/758910344.db2.gz OFMKYIFLFKRDSL-HIFRSBDPSA-N 1 0 294.351 1.769 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@H](C)[NH3+])CC2 ZINC000843495555 759022030 /nfs/dbraw/zinc/02/20/30/759022030.db2.gz URSJNJVMLISSCS-VIFPVBQESA-N 1 0 263.297 1.530 20 5 CDBDRO CC[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)OC ZINC000312018822 771202521 /nfs/dbraw/zinc/20/25/21/771202521.db2.gz YEQVJKBMGQGDLP-QWHCGFSZSA-N 1 0 268.313 1.643 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])C[C@@H]21 ZINC000828987850 768830582 /nfs/dbraw/zinc/83/05/82/768830582.db2.gz MJCDCOKCRGIPBG-SKDRFNHKSA-N 1 0 292.295 1.643 20 5 CDBDRO C[S@@](=O)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000830008451 768921647 /nfs/dbraw/zinc/92/16/47/768921647.db2.gz BTLVPTSQWBYVJP-GOSISDBHSA-N 1 0 270.354 1.798 20 5 CDBDRO CC1(C)OCC(CO)(NCc2ccccc2[N+](=O)[O-])CO1 ZINC000788000308 769021645 /nfs/dbraw/zinc/02/16/45/769021645.db2.gz UKEVKRBALVQCGJ-UHFFFAOYSA-N 1 0 296.323 1.198 20 5 CDBDRO CCCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000923287993 769040997 /nfs/dbraw/zinc/04/09/97/769040997.db2.gz WSGFUKHWBIPYEI-LSDHHAIUSA-N 1 0 293.367 1.702 20 5 CDBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccco1 ZINC000839762649 769303237 /nfs/dbraw/zinc/30/32/37/769303237.db2.gz FBPZRPJTHJMYTA-DDHJBXDOSA-N 1 0 295.339 1.490 20 5 CDBDRO CC(C)=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001072726043 769378312 /nfs/dbraw/zinc/37/83/12/769378312.db2.gz ZDEDECQPTXLYQX-CHWSQXEVSA-N 1 0 293.367 1.152 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000857107592 769401254 /nfs/dbraw/zinc/40/12/54/769401254.db2.gz AJTDEQLGNVOHGS-NSHDSACASA-N 1 0 294.355 1.516 20 5 CDBDRO CCn1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cn1 ZINC000809734590 769538135 /nfs/dbraw/zinc/53/81/35/769538135.db2.gz IFRMDUWQYFIYSA-UHFFFAOYSA-N 1 0 289.339 1.777 20 5 CDBDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000839637345 769851437 /nfs/dbraw/zinc/85/14/37/769851437.db2.gz XIIUPNBTZIBIJW-NSHDSACASA-N 1 0 295.314 1.644 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCCC[C@@H]2CO)c1 ZINC000847016591 769873238 /nfs/dbraw/zinc/87/32/38/769873238.db2.gz LQNNPKZKMQHJNP-CABCVRRESA-N 1 0 294.351 1.865 20 5 CDBDRO C[C@@H](NC[C@@H](O)C[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000932178926 770054302 /nfs/dbraw/zinc/05/43/02/770054302.db2.gz UNCXPERCFIYRMI-IAQYHMDHSA-N 1 0 293.367 1.701 20 5 CDBDRO COc1cc(N2CCCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000111051244 770058980 /nfs/dbraw/zinc/05/89/80/770058980.db2.gz CVLRNXWQBFRQRU-LLVKDONJSA-N 1 0 265.313 1.921 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000864960151 770201712 /nfs/dbraw/zinc/20/17/12/770201712.db2.gz GJTARHOSRRRKNI-JTQLQIEISA-N 1 0 295.314 1.344 20 5 CDBDRO Nc1ccc(C(=O)NCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000843512722 770366841 /nfs/dbraw/zinc/36/68/41/770366841.db2.gz OPZIVRUZZGZNKP-UHFFFAOYSA-N 1 0 278.312 1.049 20 5 CDBDRO Cc1n[nH]cc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818949974 770430820 /nfs/dbraw/zinc/43/08/20/770430820.db2.gz RCBWUKPFSGCUDS-CYBMUJFWSA-N 1 0 276.296 1.450 20 5 CDBDRO C[C@]12COC[C@H]1C[N@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC000886280529 770453737 /nfs/dbraw/zinc/45/37/37/770453737.db2.gz GIDLERJQBCFQJV-YPMHNXCESA-N 1 0 263.297 1.458 20 5 CDBDRO O=[N+]([O-])CC[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000929311942 770464856 /nfs/dbraw/zinc/46/48/56/770464856.db2.gz WKFOBOJCOLBFCD-BETUJISGSA-N 1 0 261.325 1.331 20 5 CDBDRO CCc1cc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)on1 ZINC000819095689 770532815 /nfs/dbraw/zinc/53/28/15/770532815.db2.gz ZFMUEDROTBLJNJ-AWEZNQCLSA-N 1 0 291.307 1.968 20 5 CDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000843356256 770731680 /nfs/dbraw/zinc/73/16/80/770731680.db2.gz KDROUXBTJRXPDK-LBPRGKRZSA-N 1 0 294.355 1.622 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOCC[C@H]1C ZINC000878374887 770840503 /nfs/dbraw/zinc/84/05/03/770840503.db2.gz YMRFQVBPJHBIAO-SNVBAGLBSA-N 1 0 268.317 1.211 20 5 CDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000839708298 770848043 /nfs/dbraw/zinc/84/80/43/770848043.db2.gz IRUMOABCQYZTAP-FMKGYKFTSA-N 1 0 293.367 1.127 20 5 CDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCCCC[NH3+] ZINC000843509775 770867486 /nfs/dbraw/zinc/86/74/86/770867486.db2.gz GLTMIJPYOMFZRO-UHFFFAOYSA-N 1 0 297.359 1.125 20 5 CDBDRO C[NH+](C)CC1CN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865843299 771002390 /nfs/dbraw/zinc/00/23/90/771002390.db2.gz MVZDRCSHDUSGSJ-UHFFFAOYSA-N 1 0 283.303 1.224 20 5 CDBDRO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000886129496 771044575 /nfs/dbraw/zinc/04/45/75/771044575.db2.gz GXUIKMLONIUZPG-MWLCHTKSSA-N 1 0 251.286 1.504 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]([NH3+])C2CC2)c1C ZINC000884242130 771047154 /nfs/dbraw/zinc/04/71/54/771047154.db2.gz MLKKZJRUVFXVPU-LLVKDONJSA-N 1 0 277.324 1.679 20 5 CDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000854649811 771080487 /nfs/dbraw/zinc/08/04/87/771080487.db2.gz HBQGJXKOODVWSI-QWRGUYRKSA-N 1 0 271.361 1.373 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC000879529827 771088905 /nfs/dbraw/zinc/08/89/05/771088905.db2.gz WLEXQZLJXJEABM-TXEJJXNPSA-N 1 0 262.313 1.689 20 5 CDBDRO C[C@H]1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794625861 771093683 /nfs/dbraw/zinc/09/36/83/771093683.db2.gz CLYDRJBMYVILMY-VIFPVBQESA-N 1 0 277.280 1.802 20 5 CDBDRO O=[N+]([O-])c1ccn(CCN2CC[NH2+]CCC23CCC3)n1 ZINC000883458639 771117264 /nfs/dbraw/zinc/11/72/64/771117264.db2.gz RIFNQRUQPBXEMR-UHFFFAOYSA-N 1 0 279.344 1.009 20 5 CDBDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886170030 771136558 /nfs/dbraw/zinc/13/65/58/771136558.db2.gz NPIBLKHIYMJKDX-SKDRFNHKSA-N 1 0 251.286 1.647 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CC(=O)N(C)C1 ZINC000866252782 771155098 /nfs/dbraw/zinc/15/50/98/771155098.db2.gz PUXHJORDFLQRLM-SKDRFNHKSA-N 1 0 295.314 1.485 20 5 CDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cn1cc([N+](=O)[O-])cn1 ZINC000795706021 771268470 /nfs/dbraw/zinc/26/84/70/771268470.db2.gz KFWBFBBBHNZZRR-RYUDHWBXSA-N 1 0 279.344 1.307 20 5 CDBDRO C[C@@H]1CCN(CC[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000791051405 771466575 /nfs/dbraw/zinc/46/65/75/771466575.db2.gz CLFOJWWWQAPYNH-CQSZACIVSA-N 1 0 277.368 1.860 20 5 CDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000828840138 771510863 /nfs/dbraw/zinc/51/08/63/771510863.db2.gz LLHZBKDNDUYMSL-NSHDSACASA-N 1 0 271.361 1.422 20 5 CDBDRO C[C@@]([NH3+])(C(=O)NCC1=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000867985820 771592561 /nfs/dbraw/zinc/59/25/61/771592561.db2.gz OXIKRIQJTXUIJA-HNNXBMFYSA-N 1 0 289.335 1.995 20 5 CDBDRO Cc1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000841887356 771601066 /nfs/dbraw/zinc/60/10/66/771601066.db2.gz LPQHEEZLLGGWBZ-UHFFFAOYSA-N 1 0 289.339 1.602 20 5 CDBDRO Cc1ncc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000819364146 771623678 /nfs/dbraw/zinc/62/36/78/771623678.db2.gz PFIHBYJLQVKTDG-ZDUSSCGKSA-N 1 0 277.280 1.714 20 5 CDBDRO COc1cc(C(=O)N2CC[C@](C)([NH3+])C2)cc([N+](=O)[O-])c1C ZINC000868080152 771661193 /nfs/dbraw/zinc/66/11/93/771661193.db2.gz PBTXINYFEVNZHN-AWEZNQCLSA-N 1 0 293.323 1.475 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000702679461 771737376 /nfs/dbraw/zinc/73/73/76/771737376.db2.gz WZSBCVWVJHYQGT-STBQQDIQSA-N 1 0 275.308 1.556 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc(C[C@@H]3CC[NH2+]C3)n2)s1 ZINC000823070028 771874473 /nfs/dbraw/zinc/87/44/73/771874473.db2.gz XDEHBDNVMXRUIB-ZETCQYMHSA-N 1 0 280.309 1.858 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000823269116 771898513 /nfs/dbraw/zinc/89/85/13/771898513.db2.gz CZKKXXJJHSHAKU-PHDIDXHHSA-N 1 0 252.230 1.689 20 5 CDBDRO CCO[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000932970363 772091070 /nfs/dbraw/zinc/09/10/70/772091070.db2.gz GJCZOYRFENVISR-LBPRGKRZSA-N 1 0 293.323 1.305 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823986382 772122514 /nfs/dbraw/zinc/12/25/14/772122514.db2.gz IJNYYSPLIJOFHJ-UHFFFAOYSA-N 1 0 281.316 1.202 20 5 CDBDRO C[C@H]1COCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590596 772240786 /nfs/dbraw/zinc/24/07/86/772240786.db2.gz IGQJEFKBCKQPAN-SMDDNHRTSA-N 1 0 280.324 1.739 20 5 CDBDRO COc1ccc(NC(=O)[C@H]2C[C@H](C)CC[NH2+]2)cc1[N+](=O)[O-] ZINC000127626030 772324653 /nfs/dbraw/zinc/32/46/53/772324653.db2.gz MEPZGCBYQMMPFE-MWLCHTKSSA-N 1 0 293.323 1.930 20 5 CDBDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CC[N+](=O)[O-])C1 ZINC000930541915 772368386 /nfs/dbraw/zinc/36/83/86/772368386.db2.gz PKUBTKKGSGOZKO-AWEZNQCLSA-N 1 0 278.308 1.080 20 5 CDBDRO CCOC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000932645683 772429673 /nfs/dbraw/zinc/42/96/73/772429673.db2.gz BTVWBAIMTFRPBG-LBPRGKRZSA-N 1 0 278.308 1.980 20 5 CDBDRO CC[C@@H]1CN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000274348907 772435384 /nfs/dbraw/zinc/43/53/84/772435384.db2.gz WKMGKCJAAMHADX-RNCFNFMXSA-N 1 0 298.314 1.945 20 5 CDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCCC1 ZINC000255841529 772564769 /nfs/dbraw/zinc/56/47/69/772564769.db2.gz HWGRZNDWQDOFJA-YVMONPNESA-N 1 0 289.335 1.820 20 5 CDBDRO COC[C@H]([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])C1CC1 ZINC000893179732 772600421 /nfs/dbraw/zinc/60/04/21/772600421.db2.gz APCSTCNMSGPOJJ-NSHDSACASA-N 1 0 296.323 1.824 20 5 CDBDRO Cc1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)no1 ZINC000839096839 772692035 /nfs/dbraw/zinc/69/20/35/772692035.db2.gz LEXAVDWTZNAKLZ-UHFFFAOYSA-N 1 0 276.296 1.857 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CNC(=O)C1 ZINC000873131685 772717598 /nfs/dbraw/zinc/71/75/98/772717598.db2.gz XEOPUDYSZYNXAJ-NSHDSACASA-N 1 0 277.324 1.437 20 5 CDBDRO C[NH+](C)C[C@@H](O)CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000840242578 772749643 /nfs/dbraw/zinc/74/96/43/772749643.db2.gz XQEKYICYNVUXCT-LBPRGKRZSA-N 1 0 290.323 1.477 20 5 CDBDRO Cc1cnc(NCC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000090692627 772822541 /nfs/dbraw/zinc/82/25/41/772822541.db2.gz RDMRURLUQBBJCY-SNVBAGLBSA-N 1 0 250.302 1.710 20 5 CDBDRO Cc1n[nH]c(CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000873098609 772834016 /nfs/dbraw/zinc/83/40/16/772834016.db2.gz MHBNMSVXNGWACC-UHFFFAOYSA-N 1 0 275.312 1.662 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000843503574 772836186 /nfs/dbraw/zinc/83/61/86/772836186.db2.gz LIYGCVFHQUIHLJ-ZJUUUORDSA-N 1 0 294.355 1.516 20 5 CDBDRO COCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000060390853 772845133 /nfs/dbraw/zinc/84/51/33/772845133.db2.gz WRHQQZJQTTXWPF-UHFFFAOYSA-N 1 0 276.239 1.932 20 5 CDBDRO Cc1nn(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000842619596 772883762 /nfs/dbraw/zinc/88/37/62/772883762.db2.gz WMYMCRGPKITDRD-OLZOCXBDSA-N 1 0 294.355 1.948 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CC([NH3+])C1 ZINC000702054324 772885926 /nfs/dbraw/zinc/88/59/26/772885926.db2.gz UOHQIAOBLUAIQP-UHFFFAOYSA-N 1 0 283.715 1.810 20 5 CDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cn2nccc2[N+](=O)[O-])C1 ZINC000129253347 772891072 /nfs/dbraw/zinc/89/10/72/772891072.db2.gz KZUALTDXNJUBAJ-NEPJUHHUSA-N 1 0 279.344 1.165 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@@H]4[NH2+]CC[C@H]43)nc2c1 ZINC000864599145 772991022 /nfs/dbraw/zinc/99/10/22/772991022.db2.gz JOSAJLMCZKBSEX-WCQYABFASA-N 1 0 287.323 1.802 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876504651 773066476 /nfs/dbraw/zinc/06/64/76/773066476.db2.gz RWPAZAPVGFNJTQ-LLVKDONJSA-N 1 0 277.324 1.646 20 5 CDBDRO CON(C)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000850482865 773075455 /nfs/dbraw/zinc/07/54/55/773075455.db2.gz VKXMHFFUHVJGLW-JTQLQIEISA-N 1 0 253.302 1.739 20 5 CDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccnc(F)c1[N+](=O)[O-] ZINC000881984926 773252696 /nfs/dbraw/zinc/25/26/96/773252696.db2.gz FGUAAABLHBMZNF-SNVBAGLBSA-N 1 0 282.319 1.907 20 5 CDBDRO C[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000819010428 773326172 /nfs/dbraw/zinc/32/61/72/773326172.db2.gz DBTPEOFZELYPBH-NHYWBVRUSA-N 1 0 293.367 1.701 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000300667264 773335831 /nfs/dbraw/zinc/33/58/31/773335831.db2.gz HEFCRHHCAOHTAP-WFASDCNBSA-N 1 0 295.383 1.948 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCCC[C@H]2CO)cc1 ZINC000776579259 773522324 /nfs/dbraw/zinc/52/23/24/773522324.db2.gz LGVQOERTMXKKCC-KBPBESRZSA-N 1 0 280.324 1.475 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C3OCCO3)C2)cc1 ZINC000719068821 773540615 /nfs/dbraw/zinc/54/06/15/773540615.db2.gz VYJBKPMMAKMANM-LBPRGKRZSA-N 1 0 278.308 1.790 20 5 CDBDRO C[NH2+]C1(CNc2nc3ccccn3c2[N+](=O)[O-])CCC1 ZINC000856762952 773597477 /nfs/dbraw/zinc/59/74/77/773597477.db2.gz URFJOHFCLICNLC-UHFFFAOYSA-N 1 0 275.312 1.797 20 5 CDBDRO CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839702619 773726559 /nfs/dbraw/zinc/72/65/59/773726559.db2.gz ZBCBYPDWVWESIY-ZIAGYGMSSA-N 1 0 297.399 1.526 20 5 CDBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[NH2+]C2)c2ncccc12 ZINC000051868332 1166750954 /nfs/dbraw/zinc/75/09/54/1166750954.db2.gz LKSHPRATSMDLMZ-VIFPVBQESA-N 1 0 259.265 1.884 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)[C@H]1CCOC1 ZINC001173215917 912296661 /nfs/dbraw/zinc/29/66/61/912296661.db2.gz AYPGYVYTOUUULV-ZLDLUXBVSA-N 1 0 294.351 1.513 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@](F)(CO)C1 ZINC001173230709 912326140 /nfs/dbraw/zinc/32/61/40/912326140.db2.gz ZSKFNPKNYSWBTH-SMDDNHRTSA-N 1 0 282.315 1.932 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1COCC[C@@H]1O ZINC001173214610 912336605 /nfs/dbraw/zinc/33/66/05/912336605.db2.gz CVCWOSJJDUZCOD-BPNCWPANSA-N 1 0 280.324 1.265 20 5 CDBDRO CC[N@H+](C)C[C@@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173499389 912462909 /nfs/dbraw/zinc/46/29/09/912462909.db2.gz GSXLGMSEVKRFGA-NSHDSACASA-N 1 0 267.333 1.022 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCCOc1ccccc1 ZINC001205106047 913615633 /nfs/dbraw/zinc/61/56/33/913615633.db2.gz KNXVLVDYAUVHJL-CQSZACIVSA-N 1 0 296.387 1.456 20 5 CDBDRO C/C=C(\C)C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001125438625 895491778 /nfs/dbraw/zinc/49/17/78/895491778.db2.gz WIDKSTXQBKVWSZ-QDEBKDIKSA-N 1 0 277.324 1.767 20 5 CDBDRO Cc1cnc(NC(=N)SCC[NH3+])cc1[N+](=O)[O-] ZINC001167913427 898124182 /nfs/dbraw/zinc/12/41/82/898124182.db2.gz ARWPTXNGBHGIBY-UHFFFAOYSA-N 1 0 255.303 1.337 20 5 CDBDRO CC(=O)c1cc(O[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001218285097 898609475 /nfs/dbraw/zinc/60/94/75/898609475.db2.gz CTOBEBMKMMTNBJ-NSHDSACASA-N 1 0 264.281 1.928 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(O[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001218286442 898611827 /nfs/dbraw/zinc/61/18/27/898611827.db2.gz TZSCDTGGVDEPAT-SECBINFHSA-N 1 0 281.268 1.942 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1NC(=N)SCC[NH3+] ZINC001167913450 898638756 /nfs/dbraw/zinc/63/87/56/898638756.db2.gz MPXMGZFREQOTAV-UHFFFAOYSA-N 1 0 270.318 1.070 20 5 CDBDRO C[C@@H]([NH3+])c1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000692715136 899978303 /nfs/dbraw/zinc/97/83/03/899978303.db2.gz GAASAVDHXYOGOO-SSDOTTSWSA-N 1 0 265.248 1.393 20 5 CDBDRO COc1ccccc1CCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001222297210 900003922 /nfs/dbraw/zinc/00/39/22/900003922.db2.gz IQHYSOOQBGEWAC-CQSZACIVSA-N 1 0 296.387 1.238 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1NC(=N)SCC[NH3+] ZINC001167914493 902112075 /nfs/dbraw/zinc/11/20/75/902112075.db2.gz MHTWWSRHNSJFAG-UHFFFAOYSA-N 1 0 271.302 1.037 20 5 CDBDRO O=[N+]([O-])c1ccnc(N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000710032583 902894511 /nfs/dbraw/zinc/89/45/11/902894511.db2.gz WOGGCVOYUZXMFJ-CYBMUJFWSA-N 1 0 262.313 1.570 20 5 CDBDRO CSc1nc2nc(C)cc(O[C@H](C)C[N+](C)(C)C)n2n1 ZINC001225540662 902899781 /nfs/dbraw/zinc/89/97/81/902899781.db2.gz LLGNXBNEULCCEB-SNVBAGLBSA-N 1 0 296.420 1.628 20 5 CDBDRO CSc1ccccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225668098 903649199 /nfs/dbraw/zinc/64/91/99/903649199.db2.gz FVSGVIOYWASSFV-LLVKDONJSA-N 1 0 284.401 1.771 20 5 CDBDRO C[N@@H+]1CC[C@H](Oc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC001226186382 905016646 /nfs/dbraw/zinc/01/66/46/905016646.db2.gz BUAHPEAMQDEYQH-ZETCQYMHSA-N 1 0 258.224 1.956 20 5 CDBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc([N+](=O)[O-])nc1)C2 ZINC001226709374 905488143 /nfs/dbraw/zinc/48/81/43/905488143.db2.gz HSVIBFHIXDKYTH-PEGIJTEDSA-N 1 0 263.297 1.994 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CC(O)C1 ZINC001254538659 936406434 /nfs/dbraw/zinc/40/64/34/936406434.db2.gz YCZRRHLYNZWGGZ-XSRFYTQQSA-N 1 0 264.325 1.886 20 5 CDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC001168593741 919367664 /nfs/dbraw/zinc/36/76/64/919367664.db2.gz ULKIKGAFZSUNCD-QWRGUYRKSA-N 1 0 265.317 1.670 20 5 CDBDRO CC(C)([NH3+])CNc1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001160025163 938764914 /nfs/dbraw/zinc/76/49/14/938764914.db2.gz NDXRIMNXTROPIA-UHFFFAOYSA-N 1 0 280.115 1.841 20 5 CDBDRO Cc1cnc(NC[C@H]2C[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC001162556633 922768444 /nfs/dbraw/zinc/76/84/44/922768444.db2.gz OTTMMJSDCSBLSK-NXEZZACHSA-N 1 0 250.302 1.708 20 5 CDBDRO C[NH2+]C1CN(c2nc(Cl)nc(SC)c2[N+](=O)[O-])C1 ZINC001163707452 924090301 /nfs/dbraw/zinc/09/03/01/924090301.db2.gz SNVRRYARZUZCGC-UHFFFAOYSA-N 1 0 289.748 1.168 20 5 CDBDRO Cc1cc(Cl)nc(N2CC[N@@H+]3CC[C@H]2C3)c1[N+](=O)[O-] ZINC001165144712 924991698 /nfs/dbraw/zinc/99/16/98/924991698.db2.gz VAYAMHICHSUCKP-VIFPVBQESA-N 1 0 282.731 1.846 20 5 CDBDRO C[N@@H+]1CCC[C@H](CCNc2cnc([N+](=O)[O-])cn2)C1 ZINC001165289437 925012272 /nfs/dbraw/zinc/01/22/72/925012272.db2.gz BFTBHYWVTLZYOL-SNVBAGLBSA-N 1 0 265.317 1.529 20 5 CDBDRO C[NH+](C)CC[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC001154643812 925831463 /nfs/dbraw/zinc/83/14/63/925831463.db2.gz MTJPMOACDWDOHY-SNVBAGLBSA-N 1 0 281.312 1.602 20 5 CDBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001155020650 926402197 /nfs/dbraw/zinc/40/21/97/926402197.db2.gz NESLHXBLROWYEA-WDEREUQCSA-N 1 0 280.328 1.276 20 5 CDBDRO COC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168976328 927563975 /nfs/dbraw/zinc/56/39/75/927563975.db2.gz CUBVCLZXQSELHT-AXFHLTTASA-N 1 0 256.302 1.069 20 5 CDBDRO CC1(C)C[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCO1 ZINC001168977464 927564099 /nfs/dbraw/zinc/56/40/99/927564099.db2.gz KAAWXCFPFLPOMS-QJPTWQEYSA-N 1 0 256.346 1.979 20 5 CDBDRO CC1(C)OCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CO1 ZINC001168978429 927566086 /nfs/dbraw/zinc/56/60/86/927566086.db2.gz SBSUIRPWTHGEPM-NXEZZACHSA-N 1 0 258.318 1.173 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cn3cccnc3n2)C1 ZINC001168957998 927579987 /nfs/dbraw/zinc/57/99/87/927579987.db2.gz KPWMYZDYYBUXIN-QWRGUYRKSA-N 1 0 275.312 1.264 20 5 CDBDRO CC(C)(C)OC(=O)CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168965067 927586344 /nfs/dbraw/zinc/58/63/44/927586344.db2.gz XRSGTRRVYRKNCJ-GHMZBOCLSA-N 1 0 272.345 1.753 20 5 CDBDRO CC(=O)N1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168965731 927588624 /nfs/dbraw/zinc/58/86/24/927588624.db2.gz CIXDYQIYDHDUSY-WCQYABFASA-N 1 0 269.345 1.032 20 5 CDBDRO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168966485 927590089 /nfs/dbraw/zinc/59/00/89/927590089.db2.gz INBYZQIKLGBLHT-SDDRHHMPSA-N 1 0 271.361 1.278 20 5 CDBDRO NC(=[NH2+])N(c1ccccc1F)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168973887 927595866 /nfs/dbraw/zinc/59/58/66/927595866.db2.gz PIFBDEXHMPNNDL-UWVGGRQHSA-N 1 0 280.303 1.971 20 5 CDBDRO CCn1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168972649 927597112 /nfs/dbraw/zinc/59/71/12/927597112.db2.gz NOMHZHUUNQBTNS-QWRGUYRKSA-N 1 0 252.318 1.438 20 5 CDBDRO NC(=O)[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168975866 927598938 /nfs/dbraw/zinc/59/89/38/927598938.db2.gz XRQLTUABVVNCGH-DRZSPHRISA-N 1 0 277.324 1.248 20 5 CDBDRO COCCOCCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168996927 927603380 /nfs/dbraw/zinc/60/33/80/927603380.db2.gz WWXBRGFZCSGYKV-NEPJUHHUSA-N 1 0 260.334 1.075 20 5 CDBDRO O=C(NCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccs1 ZINC001169001420 927605969 /nfs/dbraw/zinc/60/59/69/927605969.db2.gz FUXIAONUOVFZQV-QWRGUYRKSA-N 1 0 297.380 1.513 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](CO)c2ccncc2)C1 ZINC001168986623 927622434 /nfs/dbraw/zinc/62/24/34/927622434.db2.gz XTYWCDLDGVQBRM-WXHSDQCUSA-N 1 0 265.313 1.150 20 5 CDBDRO [NH3+]C[C@@H]1COc2ccccc2N1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168988148 927624828 /nfs/dbraw/zinc/62/48/28/927624828.db2.gz OKLDMYZOMOHWAA-RWMBFGLXSA-N 1 0 291.351 1.658 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCOCC23CCC3)C1 ZINC001169033934 927640798 /nfs/dbraw/zinc/64/07/98/927640798.db2.gz DUHNDWNNMUHZBA-VXGBXAGGSA-N 1 0 254.330 1.687 20 5 CDBDRO CC[N@H+](CCN1CCCC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169033219 927641905 /nfs/dbraw/zinc/64/19/05/927641905.db2.gz BKLITNBGMOBDRG-ZIAGYGMSSA-N 1 0 269.389 1.850 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)C1 ZINC001169035904 927644493 /nfs/dbraw/zinc/64/44/93/927644493.db2.gz DVAARPRTYWMEME-WYUUTHIRSA-N 1 0 290.310 1.645 20 5 CDBDRO CCOC(=O)CC[N@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038199 927648270 /nfs/dbraw/zinc/64/82/70/927648270.db2.gz WRNUJWFGQXMIKI-MNOVXSKESA-N 1 0 258.318 1.317 20 5 CDBDRO COC(=O)[C@H](C(C)C)[N@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039974 927653416 /nfs/dbraw/zinc/65/34/16/927653416.db2.gz WNDWBEHPVZIBLT-SRVKXCTJSA-N 1 0 272.345 1.561 20 5 CDBDRO Cc1nc2c(n1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C[NH2+]CC2 ZINC001169039906 927653665 /nfs/dbraw/zinc/65/36/65/927653665.db2.gz VQFRNHNJNLSGFQ-GHMZBOCLSA-N 1 0 264.329 1.455 20 5 CDBDRO O=C1OCCC12CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169046351 927665637 /nfs/dbraw/zinc/66/56/37/927665637.db2.gz KXOVXRSMGRNBCR-NWDGAFQWSA-N 1 0 282.340 1.461 20 5 CDBDRO CN1C(=O)CC[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@H]21 ZINC001169050607 927669380 /nfs/dbraw/zinc/66/93/80/927669380.db2.gz BYIVNGXZLGEHDF-AAVRWANBSA-N 1 0 295.383 1.375 20 5 CDBDRO C[C@@H]([NH3+])c1ccn(-c2ccc3c(n2)[nH]cc3[N+](=O)[O-])n1 ZINC001169228250 927828473 /nfs/dbraw/zinc/82/84/73/927828473.db2.gz NPJHLZXBWVTREZ-SSDOTTSWSA-N 1 0 272.268 1.677 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1NCC[C@H]1CCC[NH2+]1 ZINC001169563833 928180713 /nfs/dbraw/zinc/18/07/13/928180713.db2.gz CBZJCSPNGPUWRS-SECBINFHSA-N 1 0 266.301 1.552 20 5 CDBDRO C[C@@H]1CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])CC[NH2+]1 ZINC001156689164 928928364 /nfs/dbraw/zinc/92/83/64/928928364.db2.gz NYXGAYAYDSPGMX-RXMQYKEDSA-N 1 0 292.126 1.490 20 5 CDBDRO Cc1cc(Cl)c(N[C@H]2C[NH2+]C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001170789471 930036445 /nfs/dbraw/zinc/03/64/45/930036445.db2.gz OMDNQDZTSGIZBO-WPRPVWTQSA-N 1 0 285.731 1.549 20 5 CDBDRO O=C(C[NH+]1CCCC1)NCCc1cccc([N+](=O)[O-])c1 ZINC000821365055 931041271 /nfs/dbraw/zinc/04/12/71/931041271.db2.gz HCUPYRYIPBFORE-UHFFFAOYSA-N 1 0 277.324 1.349 20 5 CDBDRO CC(C)(C)[NH2+]CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001116861571 937476545 /nfs/dbraw/zinc/47/65/45/937476545.db2.gz OLWZPIQUWHQNMO-UHFFFAOYSA-N 1 0 279.340 1.642 20 5 CDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(F)F ZINC001154049175 937496394 /nfs/dbraw/zinc/49/63/94/937496394.db2.gz OUNLAKBJSSLSIZ-UHFFFAOYSA-N 1 0 287.266 1.456 20 5 CDBDRO CC(C)(F)C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001154101474 937503626 /nfs/dbraw/zinc/50/36/26/937503626.db2.gz OWTNIQCWZNSYFV-UHFFFAOYSA-N 1 0 297.330 1.939 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(NC/C=C/C[NH3+])nc1Cl ZINC001160977154 932274965 /nfs/dbraw/zinc/27/49/65/932274965.db2.gz QNPRAFQIULTQOK-NSCUHMNNSA-N 1 0 256.693 1.878 20 5 CDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1nccc(Cl)c1[N+](=O)[O-] ZINC001154748126 937581657 /nfs/dbraw/zinc/58/16/57/937581657.db2.gz QJLCESBVPQYZFL-VIFPVBQESA-N 1 0 299.762 1.349 20 5 CDBDRO CO[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001118091488 937589731 /nfs/dbraw/zinc/58/97/31/937589731.db2.gz XDDUNWBMVKAYIX-MRVWCRGKSA-N 1 0 280.324 1.785 20 5 CDBDRO [NH3+]Cc1ccc2cn(-c3ncccc3[N+](=O)[O-])nc2c1 ZINC001171322783 932653743 /nfs/dbraw/zinc/65/37/43/932653743.db2.gz ZZTSGZIYIFEPME-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1ccc(N)c([N+](=O)[O-])n1 ZINC001118524153 937636488 /nfs/dbraw/zinc/63/64/88/937636488.db2.gz CGMHWEAPYDERAF-WDEREUQCSA-N 1 0 279.344 1.857 20 5 CDBDRO COCCCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001124088984 936283204 /nfs/dbraw/zinc/28/32/04/936283204.db2.gz PAUWTXDDNHYDBS-UHFFFAOYSA-N 1 0 295.339 1.227 20 5 CDBDRO CC[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001122167179 937910388 /nfs/dbraw/zinc/91/03/88/937910388.db2.gz QUOBPRJQKSJHOQ-NXEZZACHSA-N 1 0 265.313 1.770 20 5 CDBDRO Cc1cc(NC(=O)CC(C)(C)[NH3+])cc([N+](=O)[O-])c1 ZINC001122511377 937938615 /nfs/dbraw/zinc/93/86/15/937938615.db2.gz NUCHUPASCWVOLA-UHFFFAOYSA-N 1 0 251.286 1.969 20 5 CDBDRO [NH3+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001122575910 937942979 /nfs/dbraw/zinc/94/29/79/937942979.db2.gz PGUUVDUMKZMALC-XRRVDJEJSA-N 1 0 275.308 1.304 20 5 CDBDRO CN(c1ncc([N+](=O)[O-])cc1N)[C@@]1(C)CCC[NH2+]C1 ZINC001156976367 938441703 /nfs/dbraw/zinc/44/17/03/938441703.db2.gz FIGUYWZODMDMJZ-LBPRGKRZSA-N 1 0 265.317 1.150 20 5 CDBDRO [NH3+]Cc1cnn(-c2nccc3ccc([N+](=O)[O-])cc32)c1 ZINC001157475348 938498790 /nfs/dbraw/zinc/49/87/90/938498790.db2.gz XEAYOFSEMODQID-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO CCN(c1nc(C)ncc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC001158205144 938595204 /nfs/dbraw/zinc/59/52/04/938595204.db2.gz LNWFQYILAXGVKO-SNVBAGLBSA-N 1 0 265.317 1.272 20 5 CDBDRO Nc1nc(-n2ncc3c2cccc3C[NH3+])ccc1[N+](=O)[O-] ZINC001158311455 938608010 /nfs/dbraw/zinc/60/80/10/938608010.db2.gz SWCCVUZJJLBIPG-UHFFFAOYSA-N 1 0 284.279 1.370 20 5 CDBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(N)n2)C(C)(C)C1 ZINC001158561745 938637444 /nfs/dbraw/zinc/63/74/44/938637444.db2.gz NOEQJTYPJLBIOA-UHFFFAOYSA-N 1 0 279.344 1.493 20 5 CDBDRO CN(CC[NH3+])CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC001159438226 938727903 /nfs/dbraw/zinc/72/79/03/938727903.db2.gz SHZINAIHUVRXME-UHFFFAOYSA-N 1 0 289.339 1.445 20 5 CDBDRO CN(CC[NH3+])CCNc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001159439208 938728073 /nfs/dbraw/zinc/72/80/73/938728073.db2.gz NMAGBZWCLYZAGR-UHFFFAOYSA-N 1 0 289.339 1.445 20 5 CDBDRO Nc1cc(Nc2cccc(CC[NH3+])c2)ncc1[N+](=O)[O-] ZINC001161078781 938868958 /nfs/dbraw/zinc/86/89/58/938868958.db2.gz ILGUDWHEOWHYEN-UHFFFAOYSA-N 1 0 273.296 1.817 20 5 CDBDRO COc1nc(SC)nc(NCC[NH+](C)C)c1[N+](=O)[O-] ZINC001161666121 938918391 /nfs/dbraw/zinc/91/83/91/938918391.db2.gz FBHIWQACBFAIQJ-UHFFFAOYSA-N 1 0 287.345 1.089 20 5 CDBDRO CC(C)(C)CCNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001161677187 938919397 /nfs/dbraw/zinc/91/93/97/938919397.db2.gz KIDGARFXUPXSRB-UHFFFAOYSA-N 1 0 279.344 1.920 20 5 CDBDRO C[C@@]1([NH3+])C[C@H](Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)C1 ZINC001162328791 939024833 /nfs/dbraw/zinc/02/48/33/939024833.db2.gz LJPFJANAARMWCH-OGXFKERWSA-N 1 0 261.285 1.763 20 5 CDBDRO [NH3+]Cc1ccnn1-c1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001162585470 939094314 /nfs/dbraw/zinc/09/43/14/939094314.db2.gz FRAVKRUCCVCSJM-UHFFFAOYSA-N 1 0 258.241 1.116 20 5 CDBDRO COc1cnc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])c1 ZINC001162792792 939141632 /nfs/dbraw/zinc/14/16/32/939141632.db2.gz IBQMPUXKHXNGFX-JMJZKYOTSA-N 1 0 276.296 1.184 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)nc2[nH]ccc21 ZINC001162796731 939143707 /nfs/dbraw/zinc/14/37/07/939143707.db2.gz GFEKORTWMZGUIW-JMJZKYOTSA-N 1 0 285.307 1.657 20 5 CDBDRO COc1cccc(N[C@H]2COCCC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001163074442 939190881 /nfs/dbraw/zinc/19/08/81/939190881.db2.gz WPKLPCHPVFRBPO-LBPRGKRZSA-N 1 0 293.323 1.394 20 5 CDBDRO CC(C)N(c1cccc([N+](=O)[O-])n1)C(C)(C)C[NH3+] ZINC001163187378 939221385 /nfs/dbraw/zinc/22/13/85/939221385.db2.gz WOCSHBZZXRZBOV-UHFFFAOYSA-N 1 0 252.318 1.942 20 5 CDBDRO COc1cc(C)nc(NCC2([NH3+])CCC2)c1[N+](=O)[O-] ZINC001163321346 939246249 /nfs/dbraw/zinc/24/62/49/939246249.db2.gz QMQHBXAMBXEISK-UHFFFAOYSA-N 1 0 266.301 1.600 20 5 CDBDRO Cc1nnc(C[NH3+])n1-c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001163348527 939253563 /nfs/dbraw/zinc/25/35/63/939253563.db2.gz GBOPUKJBOCYGQD-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO C[NH+](C)C1CN(c2ccc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001163934154 939357908 /nfs/dbraw/zinc/35/79/08/939357908.db2.gz ZMKLCIQWHUTIEP-UHFFFAOYSA-N 1 0 272.308 1.893 20 5 CDBDRO O=[N+]([O-])c1ccc2ccnc(-n3cnc4c3C[NH2+]CC4)c2c1 ZINC001164316681 939453138 /nfs/dbraw/zinc/45/31/38/939453138.db2.gz MURPAWHCJLFZCS-UHFFFAOYSA-N 1 0 295.302 1.974 20 5 CDBDRO Cc1ccc2c(cc[nH]c2=NOCC[NH3+])c1[N+](=O)[O-] ZINC001164408408 939471299 /nfs/dbraw/zinc/47/12/99/939471299.db2.gz NOBHJDFOCNEQNQ-UHFFFAOYSA-N 1 0 262.269 1.754 20 5 CDBDRO CC(C)(C)[NH+]1CCN(c2cc([N+](=O)[O-])ccn2)CC1 ZINC001165087930 939508232 /nfs/dbraw/zinc/50/82/32/939508232.db2.gz KMNJZAFMQQXQON-UHFFFAOYSA-N 1 0 264.329 1.910 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cc(N2CCC[C@@H]3[NH2+]C[C@@H]32)n1 ZINC001165392421 939557525 /nfs/dbraw/zinc/55/75/25/939557525.db2.gz POBJVGSCIQSNQK-IUCAKERBSA-N 1 0 268.704 1.584 20 5 CDBDRO Cc1c(C)c(N2CCC[C@H]3[NH2+]C[C@@H]32)ncc1[N+](=O)[O-] ZINC001165395509 939558842 /nfs/dbraw/zinc/55/88/42/939558842.db2.gz WNFNWRXYMWCUMA-PWSUYJOCSA-N 1 0 262.313 1.547 20 5 CDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC([NH3+])CC1 ZINC001166664512 939624652 /nfs/dbraw/zinc/62/46/52/939624652.db2.gz PIKKLFFLHRNHLM-UHFFFAOYSA-N 1 0 294.311 1.094 20 5 CDBDRO COc1cc(C(=O)N2CC[C@](C)([NH3+])C2)ccc1[N+](=O)[O-] ZINC000405794940 940997797 /nfs/dbraw/zinc/99/77/97/940997797.db2.gz USSUHEYKRRYORU-ZDUSSCGKSA-N 1 0 279.296 1.167 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OC[C@H]1CCC[NH2+]C1 ZINC001217872847 941025546 /nfs/dbraw/zinc/02/55/46/941025546.db2.gz VRUAMJRPQSQNEF-PWSUYJOCSA-N 1 0 282.344 1.504 20 5 CDBDRO Cc1cc(=O)oc2c1ccc(O[C@H]1CC[NH2+]C1)c2[N+](=O)[O-] ZINC001218181924 941042740 /nfs/dbraw/zinc/04/27/40/941042740.db2.gz MEKQCFBNUSUTAK-VIFPVBQESA-N 1 0 290.275 1.750 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CC[NH2+]C1 ZINC001218183218 941042791 /nfs/dbraw/zinc/04/27/91/941042791.db2.gz NEEGRYMSRFTNTI-VIFPVBQESA-N 1 0 266.253 1.122 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1F)ncnc2O[C@H]1CCC[NH2+]C1 ZINC001218281544 941050543 /nfs/dbraw/zinc/05/05/43/941050543.db2.gz GRSPQHLRXWIFMU-QMMMGPOBSA-N 1 0 292.270 1.808 20 5 CDBDRO Cc1cc2[nH]c(O[C@H]3CCC[NH2+]C3)nc2cc1[N+](=O)[O-] ZINC001218283930 941051009 /nfs/dbraw/zinc/05/10/09/941051009.db2.gz LXWBJHAXAYFQCF-VIFPVBQESA-N 1 0 276.296 1.910 20 5 CDBDRO Cc1cc(C)cc(COC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001222775901 941633213 /nfs/dbraw/zinc/63/32/13/941633213.db2.gz WFWKKOGOFVODRF-OAHLLOKOSA-N 1 0 280.388 1.804 20 5 CDBDRO CCOC(=O)C[C@@H](OCCC[N+](C)(C)C)C(F)(F)F ZINC001224619081 941776338 /nfs/dbraw/zinc/77/63/38/941776338.db2.gz JWIZDMJAUCIJSP-SNVBAGLBSA-N 1 0 286.314 1.983 20 5 CDBDRO CCOC(=O)CC1CC(OCCC[N+](C)(C)C)C1 ZINC001224622131 941777470 /nfs/dbraw/zinc/77/74/70/941777470.db2.gz FWTWCYSCPMCRHA-UHFFFAOYSA-N 1 0 258.382 1.831 20 5 CDBDRO COC(=O)[C@@H](OCC[N+](C)(C)C)c1ccc(F)cc1 ZINC001224772418 941790105 /nfs/dbraw/zinc/79/01/05/941790105.db2.gz ZWRMAVPVMUCPTD-ZDUSSCGKSA-N 1 0 270.324 1.763 20 5 CDBDRO COc1cc2ncnc(O[C@@H](C)C[N+](C)(C)C)c2cc1O ZINC001227014071 942115854 /nfs/dbraw/zinc/11/58/54/942115854.db2.gz UZGIXJNTEXVCIP-JTQLQIEISA-O 1 0 292.359 1.818 20 5 CDBDRO COC(=O)c1cccc(O[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001227894239 942241111 /nfs/dbraw/zinc/24/11/11/942241111.db2.gz LQJOEPNKHIMKDL-SNVBAGLBSA-N 1 0 294.307 1.854 20 5 CDBDRO COC(=O)c1cccc(O[C@@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001227894205 942241160 /nfs/dbraw/zinc/24/11/60/942241160.db2.gz LAQSOHIYSDGGNG-SECBINFHSA-N 1 0 280.280 1.464 20 5 CDBDRO COC(=O)CCc1ccc(O)cc1O[C@H](C)C[N+](C)(C)C ZINC001229098892 942418826 /nfs/dbraw/zinc/41/88/26/942418826.db2.gz IPNIYQJGYDIADG-GFCCVEGCSA-O 1 0 296.387 1.971 20 5 CDBDRO COc1cccc2nc(=O)[nH]c(O[C@@H](C)C[N+](C)(C)C)c21 ZINC001229237793 942437855 /nfs/dbraw/zinc/43/78/55/942437855.db2.gz BDJLVJMSVBWXGM-JTQLQIEISA-O 1 0 292.359 1.818 20 5 CDBDRO Nc1[nH]c2ccc(O[C@H](C[N+](=O)[O-])c3cccnc3)cc2[nH+]1 ZINC001230516782 942630012 /nfs/dbraw/zinc/63/00/12/942630012.db2.gz UMKSZLGDWFGIBZ-CYBMUJFWSA-N 1 0 299.290 1.937 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(-c2nn[nH]n2)c1 ZINC001231118734 942790359 /nfs/dbraw/zinc/79/03/59/942790359.db2.gz UDEUXMNXXYVEEE-JTQLQIEISA-N 1 0 262.337 1.340 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(OCC[N@H+]2CC[C@@H](OC)C2)n1 ZINC001234880739 943965908 /nfs/dbraw/zinc/96/59/08/943965908.db2.gz GQPHMLCIYXEWCU-SNVBAGLBSA-N 1 0 297.311 1.098 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1CO ZINC001254552323 947522333 /nfs/dbraw/zinc/52/23/33/947522333.db2.gz KWNQTACBNSWNPH-WCQYABFASA-N 1 0 264.325 1.983 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC(=O)N(C)CC1 ZINC001254561653 947524584 /nfs/dbraw/zinc/52/45/84/947524584.db2.gz HSTRQYLQPBPAOT-GFCCVEGCSA-N 1 0 291.351 1.690 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@H](O)c1ccco1)C2 ZINC001254566080 947527573 /nfs/dbraw/zinc/52/75/73/947527573.db2.gz HMEHQELTIVCBII-JSGCOSHPSA-N 1 0 288.303 1.978 20 5 CDBDRO CC[C@@H](O)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573098 947529579 /nfs/dbraw/zinc/52/95/79/947529579.db2.gz WQJVKIDPNDWYNH-DGCLKSJQSA-N 1 0 250.298 1.423 20 5 CDBDRO CC1(C)OC[C@@H](C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)O1 ZINC001254579326 947538436 /nfs/dbraw/zinc/53/84/36/947538436.db2.gz QKRSSWJLSBASOB-GXTWGEPZSA-N 1 0 292.335 1.803 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@@H](O)c1ccncc1)C2 ZINC001254589855 947542598 /nfs/dbraw/zinc/54/25/98/947542598.db2.gz SKAGVJVURHYLNE-GDBMZVCRSA-N 1 0 299.330 1.780 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@H](O)[C@@H](F)CC1)C2 ZINC001254595469 947544862 /nfs/dbraw/zinc/54/48/62/947544862.db2.gz XONCJCBSCRLYHD-ILXRZTDVSA-N 1 0 294.326 1.857 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@H](F)[C@H](O)C1)C2 ZINC001254597933 947547900 /nfs/dbraw/zinc/54/79/00/947547900.db2.gz JMLMZPFUKTUSML-HZSPNIEDSA-N 1 0 280.299 1.467 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[C@@H]3[NH2+]CC[C@H]31)C2 ZINC001246628787 948364293 /nfs/dbraw/zinc/36/42/93/948364293.db2.gz CEEZSYIWCAEWGR-SOUVJXGZSA-N 1 0 273.336 1.498 20 5 CDBDRO [NH3+][C@]12C[C@H]1CN([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001246865912 948492006 /nfs/dbraw/zinc/49/20/06/948492006.db2.gz DESZRUCZPSPAIJ-YUTCNCBUSA-N 1 0 259.309 1.095 20 5 CDBDRO Nc1cc(CCCCNc2ccncc2[N+](=O)[O-])cc[nH+]1 ZINC001307219702 954920578 /nfs/dbraw/zinc/92/05/78/954920578.db2.gz ZGBICXZBJJISEK-UHFFFAOYSA-N 1 0 287.323 1.824 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC001303798449 956121877 /nfs/dbraw/zinc/12/18/77/956121877.db2.gz BDJRPEISQKOJQJ-MWLCHTKSSA-N 1 0 292.339 1.308 20 5 CDBDRO C[C@@H](Nc1ccc(N)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001336710153 960491405 /nfs/dbraw/zinc/49/14/05/960491405.db2.gz DCJZVXCJDKCORZ-YGRLFVJLSA-N 1 0 293.371 1.223 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341624335 963486545 /nfs/dbraw/zinc/48/65/45/963486545.db2.gz SHKASMXGFOEHBB-MGPQQGTHSA-N 1 0 289.335 1.648 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341776917 963538965 /nfs/dbraw/zinc/53/89/65/963538965.db2.gz CVMVMRNUUDFWAW-DDTOSNHZSA-N 1 0 291.351 1.942 20 5 CDBDRO Cc1cccnc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC001342117709 963643609 /nfs/dbraw/zinc/64/36/09/963643609.db2.gz CLVQEHRVGQHMIY-UHFFFAOYSA-N 1 0 261.285 1.285 20 5 CDBDRO Cc1noc(CN2CCC[C@](C)(CO)C2)c1[N+](=O)[O-] ZINC001347104977 965374315 /nfs/dbraw/zinc/37/43/15/965374315.db2.gz RQXOKMRXTZBFNQ-LBPRGKRZSA-N 1 0 269.301 1.486 20 5 CDBDRO CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001200471070 968286092 /nfs/dbraw/zinc/28/60/92/968286092.db2.gz CUWJGIJOSVDGEA-ZIAGYGMSSA-N 1 0 297.399 1.813 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC001355283305 969108970 /nfs/dbraw/zinc/10/89/70/969108970.db2.gz INVFYQFIAFMBBP-CYBMUJFWSA-N 1 0 279.344 1.250 20 5 CDBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001357968982 969672932 /nfs/dbraw/zinc/67/29/32/969672932.db2.gz BIFSAJCOAICCCZ-DOERSZECSA-N 1 0 287.319 1.271 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1O[C@@H]1CCC[NH2+]C1 ZINC000149486971 970062283 /nfs/dbraw/zinc/06/22/83/970062283.db2.gz PHFPJKTYZKVUEN-MRVPVSSYSA-N 1 0 257.677 1.774 20 5 CDBDRO CSc1cccc(C(=O)NC2C[NH2+]C2)c1[N+](=O)[O-] ZINC001574098643 1170877183 /nfs/dbraw/zinc/87/71/83/1170877183.db2.gz NFHBAPWIRHQIQX-UHFFFAOYSA-N 1 0 267.310 1.018 20 5 CDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC001574121258 1170888169 /nfs/dbraw/zinc/88/81/69/1170888169.db2.gz KULXCGZXGWUTTE-JTQLQIEISA-N 1 0 295.314 1.853 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@@H]1NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC001578240894 1171847994 /nfs/dbraw/zinc/84/79/94/1171847994.db2.gz RFHKXYZGLFCEDJ-MNOVXSKESA-N 1 0 293.323 1.474 20 5 CDBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000601150944 342482573 /nfs/dbraw/zinc/48/25/73/342482573.db2.gz JJFKWFJUYHQEFA-XCBNKYQSSA-N 1 0 278.230 1.996 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000320774582 341994527 /nfs/dbraw/zinc/99/45/27/341994527.db2.gz YXYCMONMNSJJJJ-JGVFFNPUSA-N 1 0 269.276 1.590 20 5 CDBDRO O=[N+]([O-])c1ccsc1NCC[N@H+]1CC[C@H](O)C1 ZINC000599198944 343979232 /nfs/dbraw/zinc/97/92/32/343979232.db2.gz BWUHRWAZIUDCGS-QMMMGPOBSA-N 1 0 257.315 1.135 20 5 CDBDRO O=[N+]([O-])c1cccc(OCCN2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000601326683 342553826 /nfs/dbraw/zinc/55/38/26/342553826.db2.gz GQLGHSBOVAPVGR-JQWIXIFHSA-N 1 0 263.297 1.020 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CN1CCOc1ccccc1[N+](=O)[O-] ZINC000601330793 342554797 /nfs/dbraw/zinc/55/47/97/342554797.db2.gz XLYCYLMKEMEZHS-WDEREUQCSA-N 1 0 265.313 1.395 20 5 CDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000070170187 361739605 /nfs/dbraw/zinc/73/96/05/361739605.db2.gz FARDINJKEOTVRT-NSHDSACASA-N 1 0 277.324 1.796 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc(N)c([N+](=O)[O-])n3)[C@H]2C1 ZINC000590582734 342576822 /nfs/dbraw/zinc/57/68/22/342576822.db2.gz TYZWMFVMRCRQLG-KOLCDFICSA-N 1 0 277.328 1.102 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000590602662 342577892 /nfs/dbraw/zinc/57/78/92/342577892.db2.gz MSZVGERADGMDJC-CQSZACIVSA-N 1 0 295.383 1.728 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+]2CCCO)s1 ZINC000590708024 342585224 /nfs/dbraw/zinc/58/52/24/342585224.db2.gz RHVWUSBIDCWKPN-JTQLQIEISA-N 1 0 285.369 1.915 20 5 CDBDRO C[NH+](C)CC(C)(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000457198751 365634032 /nfs/dbraw/zinc/63/40/32/365634032.db2.gz BPCOXSSPVRBSSC-UHFFFAOYSA-N 1 0 297.330 1.733 20 5 CDBDRO CCOc1ccc([C@H](C)NC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000591581426 342637951 /nfs/dbraw/zinc/63/79/51/342637951.db2.gz VUESKBANDWHXFW-ZJUUUORDSA-N 1 0 267.329 1.991 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000591933528 342657141 /nfs/dbraw/zinc/65/71/41/342657141.db2.gz IKBGLJYRGGZLQF-GHMZBOCLSA-N 1 0 292.339 1.121 20 5 CDBDRO CC1(C)C[NH2+]CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000592473797 342698711 /nfs/dbraw/zinc/69/87/11/342698711.db2.gz PMQHGWPSMVVVPU-UHFFFAOYSA-N 1 0 279.340 1.657 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000592475669 342698998 /nfs/dbraw/zinc/69/89/98/342698998.db2.gz SJPOCSNGXSFLSB-SMDDNHRTSA-N 1 0 295.339 1.022 20 5 CDBDRO CCC1(CO)CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000128192859 361884258 /nfs/dbraw/zinc/88/42/58/361884258.db2.gz CFOLICWCKJWBRT-UHFFFAOYSA-N 1 0 282.344 1.276 20 5 CDBDRO C[C@@H]([NH3+])CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000592965747 342750919 /nfs/dbraw/zinc/75/09/19/342750919.db2.gz GQWAHSNKCPORKF-SNVBAGLBSA-N 1 0 277.324 1.823 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@@H]3CC[NH2+]C3)C2)nc1 ZINC000592984099 342751451 /nfs/dbraw/zinc/75/14/51/342751451.db2.gz HSDBRALCCPNIEZ-NEPJUHHUSA-N 1 0 291.355 1.086 20 5 CDBDRO C[C@H]([NH2+][C@@H](CO)CCF)c1cccc([N+](=O)[O-])c1 ZINC000593718730 342828541 /nfs/dbraw/zinc/82/85/41/342828541.db2.gz QBZFESTWGYRGPA-GXSJLCMTSA-N 1 0 256.277 1.966 20 5 CDBDRO CC(C)Oc1nc(N[C@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000593930874 342852730 /nfs/dbraw/zinc/85/27/30/342852730.db2.gz GDWLJYCXDQGTLY-QWRGUYRKSA-N 1 0 294.355 1.881 20 5 CDBDRO CN(C)CC[N@H+](C)CCCNc1cccnc1[N+](=O)[O-] ZINC000588858111 342222956 /nfs/dbraw/zinc/22/29/56/342222956.db2.gz DELSURFBKUKOTA-UHFFFAOYSA-N 1 0 281.360 1.285 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609383636 342265670 /nfs/dbraw/zinc/26/56/70/342265670.db2.gz YBQQFZLJJFCRIG-LLVKDONJSA-N 1 0 292.339 1.147 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)C(F)F ZINC000594496708 342914037 /nfs/dbraw/zinc/91/40/37/342914037.db2.gz RXOVIHMSSQNKSI-MWLCHTKSSA-N 1 0 272.251 1.798 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](CO)CCF ZINC000594508780 342914801 /nfs/dbraw/zinc/91/48/01/342914801.db2.gz WBASIGKCAROZGE-SKDRFNHKSA-N 1 0 268.288 1.892 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000600886089 342253425 /nfs/dbraw/zinc/25/34/25/342253425.db2.gz LTZUQMOBOUJBBO-UHFFFAOYSA-N 1 0 283.303 1.806 20 5 CDBDRO CO[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000167169196 536687971 /nfs/dbraw/zinc/68/79/71/536687971.db2.gz TWQNXOYZCPTXAF-QWHCGFSZSA-N 1 0 279.340 1.533 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000126075262 187215115 /nfs/dbraw/zinc/21/51/15/187215115.db2.gz RQNCPBXJPYYTSS-BXKDBHETSA-N 1 0 263.297 1.921 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000108344753 349736166 /nfs/dbraw/zinc/73/61/66/349736166.db2.gz VUHPJYLEGLNFEF-LBPRGKRZSA-N 1 0 291.351 1.975 20 5 CDBDRO COC[C@@](C)(O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595019527 342995926 /nfs/dbraw/zinc/99/59/26/342995926.db2.gz QKUKBTVRPYXGIJ-YGRLFVJLSA-N 1 0 298.339 1.651 20 5 CDBDRO Cc1c(CNC(=O)N(C)CC(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC000595274506 343021405 /nfs/dbraw/zinc/02/14/05/343021405.db2.gz YVNOBAMXTHDXAE-UHFFFAOYSA-N 1 0 294.355 1.782 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+](C)C ZINC000619525323 349789738 /nfs/dbraw/zinc/78/97/38/349789738.db2.gz OBOZRQCOFXPOOC-UHFFFAOYSA-N 1 0 268.317 1.003 20 5 CDBDRO C[C@H]([NH2+]CCc1cn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000595414214 343051216 /nfs/dbraw/zinc/05/12/16/343051216.db2.gz JHJKLFFHKSICHF-VIFPVBQESA-N 1 0 261.285 1.606 20 5 CDBDRO C[C@H](O)[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595427729 343057517 /nfs/dbraw/zinc/05/75/17/343057517.db2.gz BTUMNGFKWIWXHF-UWVGGRQHSA-N 1 0 268.288 1.937 20 5 CDBDRO Cc1noc(C[NH2+][C@H]2CSC[C@H]2C)c1[N+](=O)[O-] ZINC000595481285 343064996 /nfs/dbraw/zinc/06/49/96/343064996.db2.gz CRMXGMZEKJKPSA-SVRRBLITSA-N 1 0 257.315 1.732 20 5 CDBDRO Cc1noc(C[NH2+][C@H](C2CC2)C(C)(C)CO)c1[N+](=O)[O-] ZINC000595504511 343079367 /nfs/dbraw/zinc/07/93/67/343079367.db2.gz FFBYIWMYXUFFFL-GFCCVEGCSA-N 1 0 283.328 1.778 20 5 CDBDRO O=C1CC[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CC[C@@H]2N1 ZINC000595739841 343136074 /nfs/dbraw/zinc/13/60/74/343136074.db2.gz KVEBJRZQLBARGJ-JSGCOSHPSA-N 1 0 289.335 1.695 20 5 CDBDRO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000595875582 343178292 /nfs/dbraw/zinc/17/82/92/343178292.db2.gz QYWYJWGUMGKSMG-SWLSCSKDSA-N 1 0 294.351 1.924 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000595982259 343210844 /nfs/dbraw/zinc/21/08/44/343210844.db2.gz CYBLKMYIQQYRNR-QMMMGPOBSA-N 1 0 281.312 1.250 20 5 CDBDRO CC[NH+]1CCN(CCNc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000596074058 343225927 /nfs/dbraw/zinc/22/59/27/343225927.db2.gz QJZIPVAHXBJAHN-UHFFFAOYSA-N 1 0 292.383 1.953 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596120587 343247634 /nfs/dbraw/zinc/24/76/34/343247634.db2.gz VWPIHQYOSKTBHW-JTQLQIEISA-N 1 0 292.339 1.447 20 5 CDBDRO COc1ccc(NC(=O)N[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000596122338 343248324 /nfs/dbraw/zinc/24/83/24/343248324.db2.gz NWKDPWMRURDCMG-CYBMUJFWSA-N 1 0 294.311 1.477 20 5 CDBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCO)cs2)c1 ZINC000265369493 362153704 /nfs/dbraw/zinc/15/37/04/362153704.db2.gz OENZQXCNSDSYON-UHFFFAOYSA-N 1 0 279.321 1.800 20 5 CDBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000596489875 343330046 /nfs/dbraw/zinc/33/00/46/343330046.db2.gz XGOWBBLZRMAPME-JTQLQIEISA-N 1 0 294.359 1.330 20 5 CDBDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000090413814 342394974 /nfs/dbraw/zinc/39/49/74/342394974.db2.gz GCGQFHYNJIGGRG-GXFFZTMASA-N 1 0 277.324 1.866 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000088721125 342387096 /nfs/dbraw/zinc/38/70/96/342387096.db2.gz LBHMKGYITZAGGX-CYBMUJFWSA-N 1 0 292.383 1.951 20 5 CDBDRO NC(=O)C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000588977533 342446434 /nfs/dbraw/zinc/44/64/34/342446434.db2.gz NVIABZJCTRMROE-VIFPVBQESA-N 1 0 297.742 1.946 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000148772563 290680711 /nfs/dbraw/zinc/68/07/11/290680711.db2.gz OEEIUGQOPIIIAP-SECBINFHSA-N 1 0 251.286 1.180 20 5 CDBDRO CCCc1n[nH]c(C(=O)NCC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000597994546 343684198 /nfs/dbraw/zinc/68/41/98/343684198.db2.gz ZXHWDGSKNOYVJK-VIFPVBQESA-N 1 0 297.359 1.340 20 5 CDBDRO Cc1c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000160976940 346975972 /nfs/dbraw/zinc/97/59/72/346975972.db2.gz NNMJQTHSWWWRNV-MNOVXSKESA-N 1 0 277.324 1.903 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1CCOCC1 ZINC000612030383 346983524 /nfs/dbraw/zinc/98/35/24/346983524.db2.gz RHOMUOKDFQVPEA-LBPRGKRZSA-N 1 0 296.323 1.103 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000128118785 187352489 /nfs/dbraw/zinc/35/24/89/187352489.db2.gz KMZRBBDJPJHQAR-CHWSQXEVSA-N 1 0 293.323 1.360 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915949 343920161 /nfs/dbraw/zinc/92/01/61/343920161.db2.gz RFQPWIJJNNEESQ-SSDOTTSWSA-N 1 0 270.264 1.463 20 5 CDBDRO CCC(CC)[NH2+]CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000599097680 343954261 /nfs/dbraw/zinc/95/42/61/343954261.db2.gz LBOUJZHCSNFCSH-UHFFFAOYSA-N 1 0 294.355 1.884 20 5 CDBDRO CCOc1cc(NCC[N@@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000599175694 343965488 /nfs/dbraw/zinc/96/54/88/343965488.db2.gz IHVHQOPSOFETPB-GFCCVEGCSA-N 1 0 295.339 1.472 20 5 CDBDRO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H]1C[C@@H](O)C1 ZINC000599654287 344104163 /nfs/dbraw/zinc/10/41/63/344104163.db2.gz GCJXBEJBEQSZGY-JGZJWPJOSA-N 1 0 290.323 1.674 20 5 CDBDRO CCN(CC[NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000599911586 344151142 /nfs/dbraw/zinc/15/11/42/344151142.db2.gz XWZGAUGYLCBAIT-UHFFFAOYSA-N 1 0 266.301 1.085 20 5 CDBDRO Cc1cc(N2CCN(C)C[C@@H]2CO)c(F)cc1[N+](=O)[O-] ZINC000601979796 344306248 /nfs/dbraw/zinc/30/62/48/344306248.db2.gz MQVUMRHIGBTULD-SNVBAGLBSA-N 1 0 283.303 1.155 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602431191 344423491 /nfs/dbraw/zinc/42/34/91/344423491.db2.gz CQOCJIPOLILWJD-VHSXEESVSA-N 1 0 295.314 1.933 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000602595667 344502426 /nfs/dbraw/zinc/50/24/26/344502426.db2.gz JTZAIHCGHWYODW-ZJUUUORDSA-N 1 0 295.364 1.635 20 5 CDBDRO Cc1c(CC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cccc1[N+](=O)[O-] ZINC000602590113 344479377 /nfs/dbraw/zinc/47/93/77/344479377.db2.gz WTIOVFDQAHBXOY-RYUDHWBXSA-N 1 0 275.308 1.018 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CC[C@@H](CO)O2)cc1 ZINC000602671660 344523034 /nfs/dbraw/zinc/52/30/34/344523034.db2.gz WVKYWJGEIMFLRX-KGLIPLIRSA-N 1 0 280.324 1.267 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCC2(O)CCOCC2)cc1 ZINC000602660399 344533544 /nfs/dbraw/zinc/53/35/44/344533544.db2.gz BZMGHKGKRVEHGD-UHFFFAOYSA-N 1 0 294.351 1.659 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000602801110 344590438 /nfs/dbraw/zinc/59/04/38/344590438.db2.gz ZUUADOHEEMDOPQ-MNOVXSKESA-N 1 0 281.360 1.124 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000147946961 362443640 /nfs/dbraw/zinc/44/36/40/362443640.db2.gz RPKUYOKAVKIXEB-MRVPVSSYSA-N 1 0 255.299 1.090 20 5 CDBDRO COC(=O)C[C@H]1CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602796126 344587047 /nfs/dbraw/zinc/58/70/47/344587047.db2.gz KFSRQAJYAJNOTL-LLVKDONJSA-N 1 0 296.327 1.127 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C2CC2)C1 ZINC000602798404 344589275 /nfs/dbraw/zinc/58/92/75/344589275.db2.gz KHCSRWJKUPKCRY-LBPRGKRZSA-N 1 0 264.329 1.832 20 5 CDBDRO O=[N+]([O-])c1cccnc1NC[C@@H]1CSCC[NH2+]1 ZINC000603420377 344799908 /nfs/dbraw/zinc/79/99/08/344799908.db2.gz TWNKUNLHWROXKZ-MRVPVSSYSA-N 1 0 254.315 1.107 20 5 CDBDRO Cc1ccnc(NC[C@@H]2CSCC[NH2+]2)c1[N+](=O)[O-] ZINC000603418585 344807776 /nfs/dbraw/zinc/80/77/76/344807776.db2.gz GVUCMLRNWWHLFF-SECBINFHSA-N 1 0 268.342 1.415 20 5 CDBDRO CN1CC[NH+](CCCCNc2cccnc2[N+](=O)[O-])CC1 ZINC000603850975 344840021 /nfs/dbraw/zinc/84/00/21/344840021.db2.gz MMMCSXXXFFTXDA-UHFFFAOYSA-N 1 0 293.371 1.429 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000604540533 344899384 /nfs/dbraw/zinc/89/93/84/344899384.db2.gz SLVRVSJBRHQJSU-JTQLQIEISA-N 1 0 267.333 1.472 20 5 CDBDRO Cc1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000159754728 362518794 /nfs/dbraw/zinc/51/87/94/362518794.db2.gz RKIDGODSUVFBDW-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344048929 362540438 /nfs/dbraw/zinc/54/04/38/362540438.db2.gz ZHHUCHGNYBCBSJ-RBZYPMLTSA-N 1 0 280.299 1.937 20 5 CDBDRO Cc1c(C[NH+]2CCC(C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000051185723 345091605 /nfs/dbraw/zinc/09/16/05/345091605.db2.gz RQYZPNPTIGHHBY-UHFFFAOYSA-N 1 0 277.324 1.601 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000129265690 345281983 /nfs/dbraw/zinc/28/19/83/345281983.db2.gz VILSWXZNJNMQNC-IUCAKERBSA-N 1 0 281.287 1.686 20 5 CDBDRO C[NH+](C)CCCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000610400234 346271894 /nfs/dbraw/zinc/27/18/94/346271894.db2.gz DIQFFMXGOMAKMB-UHFFFAOYSA-N 1 0 294.355 1.388 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(c2c([N+](=O)[O-])ncn2C)C[C@H]1C ZINC000611222066 346696427 /nfs/dbraw/zinc/69/64/27/346696427.db2.gz SPGUALKHMHUFKA-ZJUUUORDSA-N 1 0 267.333 1.247 20 5 CDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000611299154 346740597 /nfs/dbraw/zinc/74/05/97/346740597.db2.gz SEQZGPFQGVHSDW-NXEZZACHSA-N 1 0 250.302 1.519 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000066959126 347548178 /nfs/dbraw/zinc/54/81/78/347548178.db2.gz UFELOXMMWKRDGI-UHFFFAOYSA-N 1 0 265.313 1.585 20 5 CDBDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000152837375 347622004 /nfs/dbraw/zinc/62/20/04/347622004.db2.gz VULBLHPCEOCCPY-CYBMUJFWSA-N 1 0 277.324 1.614 20 5 CDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000129350620 362896988 /nfs/dbraw/zinc/89/69/88/362896988.db2.gz AUYJCRCQTFMZPI-NWDGAFQWSA-N 1 0 250.298 1.844 20 5 CDBDRO C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000128864964 187394778 /nfs/dbraw/zinc/39/47/78/187394778.db2.gz JEAJGQOXMJZVAL-CQSZACIVSA-N 1 0 277.324 1.714 20 5 CDBDRO CC[N@H+](CCCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273397690 192138587 /nfs/dbraw/zinc/13/85/87/192138587.db2.gz VVTDPPHXVUJBET-LBPRGKRZSA-N 1 0 298.339 1.039 20 5 CDBDRO CCC[NH+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000015169298 348522065 /nfs/dbraw/zinc/52/20/65/348522065.db2.gz CMGNNKORAMZHKM-UHFFFAOYSA-N 1 0 291.311 1.663 20 5 CDBDRO C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000020448591 348532943 /nfs/dbraw/zinc/53/29/43/348532943.db2.gz BNNUKMONWLYKCE-UHFFFAOYSA-N 1 0 253.258 1.012 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000089106349 179701786 /nfs/dbraw/zinc/70/17/86/179701786.db2.gz JOLKAQCAYSTMQW-PSASIEDQSA-N 1 0 283.353 1.904 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCSCCCO ZINC000105643814 186067033 /nfs/dbraw/zinc/06/70/33/186067033.db2.gz WHIDRQDNIDBCAH-UHFFFAOYSA-N 1 0 270.354 1.800 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1NCC1CC[NH+](CCO)CC1 ZINC000105791638 186071010 /nfs/dbraw/zinc/07/10/10/186071010.db2.gz XJUHXEUSMNPBLJ-UHFFFAOYSA-N 1 0 297.330 1.850 20 5 CDBDRO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000105932787 186091968 /nfs/dbraw/zinc/09/19/68/186091968.db2.gz AZWTWHZOYLNBIL-SMDDNHRTSA-N 1 0 279.340 1.576 20 5 CDBDRO CC(C)[C@@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000092395254 180376932 /nfs/dbraw/zinc/37/69/32/180376932.db2.gz MFFGWBGISHPVOD-CYBMUJFWSA-N 1 0 252.314 1.744 20 5 CDBDRO Cc1nn(C)c(NCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000062010316 362967262 /nfs/dbraw/zinc/96/72/62/362967262.db2.gz FDOKCJWOKREVPT-UHFFFAOYSA-N 1 0 253.306 1.143 20 5 CDBDRO C[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+]1CC(C)C1 ZINC000515865970 362969813 /nfs/dbraw/zinc/96/98/13/362969813.db2.gz AGWCJVZULVLHMF-GFCCVEGCSA-N 1 0 291.351 1.594 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000109804498 186273397 /nfs/dbraw/zinc/27/33/97/186273397.db2.gz REKMSIMWFCEBRU-CQSZACIVSA-N 1 0 293.367 2.000 20 5 CDBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N(C)CC[NH+](C)C ZINC000111138290 186356953 /nfs/dbraw/zinc/35/69/53/186356953.db2.gz ASUJYOUPUYKRNH-UHFFFAOYSA-N 1 0 265.313 1.795 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@](F)(CO)C2)cc1 ZINC000619815798 350855133 /nfs/dbraw/zinc/85/51/33/350855133.db2.gz HIVVXZVYURZSCR-CQSZACIVSA-N 1 0 298.314 1.770 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ncc[nH]2)cc1 ZINC000068989521 351140610 /nfs/dbraw/zinc/14/06/10/351140610.db2.gz TUCOYWYWDBJVMH-UHFFFAOYSA-N 1 0 262.269 1.487 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000134025803 187722026 /nfs/dbraw/zinc/72/20/26/187722026.db2.gz ANDZGFJPRFXSKH-BDAKNGLRSA-N 1 0 251.286 1.825 20 5 CDBDRO Cc1nc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000250886219 366111137 /nfs/dbraw/zinc/11/11/37/366111137.db2.gz BBUIGLAHYCUYCW-NWDGAFQWSA-N 1 0 292.339 1.573 20 5 CDBDRO CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H](C[NH3+])C1CC1 ZINC000159898930 363418587 /nfs/dbraw/zinc/41/85/87/363418587.db2.gz OYRBDGZWTRQIHI-CEOUIICOSA-N 1 0 289.335 1.804 20 5 CDBDRO O=C(NC[C@H]1CC[NH2+]C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000273028648 192024665 /nfs/dbraw/zinc/02/46/65/192024665.db2.gz MHQXAWLYMMPSQH-QMMMGPOBSA-N 1 0 283.715 1.588 20 5 CDBDRO Cc1nn(CCC(=O)N[C@H](C)CCC[NH3+])c(C)c1[N+](=O)[O-] ZINC000578191970 356260787 /nfs/dbraw/zinc/26/07/87/356260787.db2.gz VHCMQSDLRYESAN-SECBINFHSA-N 1 0 297.359 1.042 20 5 CDBDRO O=C(CC[C@H]1CC[NH2+]C1)Nc1cccc([N+](=O)[O-])c1 ZINC000134475703 356322015 /nfs/dbraw/zinc/32/20/15/356322015.db2.gz SVSZYKKROITLCH-JTQLQIEISA-N 1 0 263.297 1.923 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H](C)N1C ZINC000358711887 356324544 /nfs/dbraw/zinc/32/45/44/356324544.db2.gz DJDDMWPDEILAJN-AOOOYVTPSA-N 1 0 280.328 1.098 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC1CC[NH+](C)CC1 ZINC000336840735 356297445 /nfs/dbraw/zinc/29/74/45/356297445.db2.gz QOEOXFSPXGGGAK-UHFFFAOYSA-N 1 0 281.360 1.873 20 5 CDBDRO CC1(C)CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000175395821 356529446 /nfs/dbraw/zinc/52/94/46/356529446.db2.gz ZUNRQWZOMVOQGH-UHFFFAOYSA-N 1 0 293.323 1.184 20 5 CDBDRO CCOc1cccc(N(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000273813748 192318126 /nfs/dbraw/zinc/31/81/26/192318126.db2.gz BJXWBMLBOHIWDL-UHFFFAOYSA-N 1 0 267.329 1.991 20 5 CDBDRO CC(C)[NH+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000026712524 356666374 /nfs/dbraw/zinc/66/63/74/356666374.db2.gz VPDWTZVBKUCOAB-UHFFFAOYSA-N 1 0 295.368 1.834 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCC[NH+]1CCCCC1 ZINC000180658010 357280554 /nfs/dbraw/zinc/28/05/54/357280554.db2.gz QLTPJFVEOYMNGF-UHFFFAOYSA-N 1 0 292.339 1.393 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1ccc([N+](=O)[O-])cc1F ZINC000311641399 357435623 /nfs/dbraw/zinc/43/56/23/357435623.db2.gz CBVPOVYZVHGBIL-AOOOYVTPSA-N 1 0 267.304 1.916 20 5 CDBDRO O=C(CC[N@@H+](CCO)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000282800678 357475278 /nfs/dbraw/zinc/47/52/78/357475278.db2.gz XDKZWJMTHVHBCU-UHFFFAOYSA-N 1 0 293.323 1.380 20 5 CDBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)NCCF ZINC000282827403 357477636 /nfs/dbraw/zinc/47/76/36/357477636.db2.gz ZBGBPTBCNVWXFQ-VIFPVBQESA-N 1 0 269.276 1.159 20 5 CDBDRO CC(C)([NH3+])CC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000236846130 357553204 /nfs/dbraw/zinc/55/32/04/357553204.db2.gz LCLANLMKXXZZJB-UHFFFAOYSA-N 1 0 280.328 1.250 20 5 CDBDRO CC1(CO)CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000186915045 357705376 /nfs/dbraw/zinc/70/53/76/357705376.db2.gz GDJQGUKXZZTRDP-AWEZNQCLSA-N 1 0 294.351 1.723 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000135227318 357798517 /nfs/dbraw/zinc/79/85/17/357798517.db2.gz OSGNFMSBSOYMCF-VIFPVBQESA-N 1 0 281.287 1.415 20 5 CDBDRO C[NH2+]CC1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000135227846 357799440 /nfs/dbraw/zinc/79/94/40/357799440.db2.gz KAPGXVQPUOAZDB-UHFFFAOYSA-N 1 0 291.351 1.975 20 5 CDBDRO C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000294439702 199039560 /nfs/dbraw/zinc/03/95/60/199039560.db2.gz ZDUHDUOBYLCFML-JTQLQIEISA-N 1 0 265.313 1.522 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCS2(=O)=O)cc1 ZINC000126694487 357985366 /nfs/dbraw/zinc/98/53/66/357985366.db2.gz KPYBWNYQBJXEFA-LBPRGKRZSA-N 1 0 284.337 1.262 20 5 CDBDRO C[N@H+](CCC1CC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000135303346 358165970 /nfs/dbraw/zinc/16/59/70/358165970.db2.gz SQOFUUPQAZBAHY-UHFFFAOYSA-N 1 0 277.324 1.926 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000165858428 358168507 /nfs/dbraw/zinc/16/85/07/358168507.db2.gz CBVXFUWHKKYJQV-UHFFFAOYSA-N 1 0 285.731 1.978 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000361358429 358170084 /nfs/dbraw/zinc/17/00/84/358170084.db2.gz XHYLLVAXSPXSGT-CYBMUJFWSA-N 1 0 250.298 1.858 20 5 CDBDRO C[C@@H](CO)[N@H+](CCn1cc([N+](=O)[O-])cn1)CC1CCC1 ZINC000361494865 358240923 /nfs/dbraw/zinc/24/09/23/358240923.db2.gz AOEOUMLNGUYSSE-NSHDSACASA-N 1 0 282.344 1.274 20 5 CDBDRO COCC[NH+]1CCC(Nc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193395068 358292239 /nfs/dbraw/zinc/29/22/39/358292239.db2.gz ILVMABHXJINZGA-UHFFFAOYSA-N 1 0 294.355 1.700 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000193581751 358305184 /nfs/dbraw/zinc/30/51/84/358305184.db2.gz GMKBKTKLMIMBNF-GXFFZTMASA-N 1 0 293.323 1.230 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000193606276 358307917 /nfs/dbraw/zinc/30/79/17/358307917.db2.gz MPFGDLVHGXEKHZ-SKDRFNHKSA-N 1 0 293.323 1.474 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@@H](O)C2)c(Cl)c1 ZINC000294804623 199191313 /nfs/dbraw/zinc/19/13/13/199191313.db2.gz ISMWIIHUHBQQBJ-WAAGHKOSSA-N 1 0 256.689 1.861 20 5 CDBDRO CCN(CCC[NH+](C)C)c1ncc([N+](=O)[O-])c(C)n1 ZINC000294862307 199218572 /nfs/dbraw/zinc/21/85/72/199218572.db2.gz DCWSQDCZSQYGRB-UHFFFAOYSA-N 1 0 267.333 1.471 20 5 CDBDRO CN(CCC[NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000591347074 358562124 /nfs/dbraw/zinc/56/21/24/358562124.db2.gz QYRJGARYSYALIL-UHFFFAOYSA-N 1 0 280.328 1.128 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000299385459 358763111 /nfs/dbraw/zinc/76/31/11/358763111.db2.gz PJGUMKJHLMJWJP-LLVKDONJSA-N 1 0 294.355 1.773 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2C[C@H]2C2CCC2)c1 ZINC000567693492 358720337 /nfs/dbraw/zinc/72/03/37/358720337.db2.gz ULNYLHIZNXGEBU-UBHSHLNASA-N 1 0 294.355 1.178 20 5 CDBDRO Cc1cccc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1[N+](=O)[O-] ZINC000185187822 358777303 /nfs/dbraw/zinc/77/73/03/358777303.db2.gz RIBHZNQWPBFSBY-CYZMBNFOSA-N 1 0 289.335 1.713 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(O)CC1 ZINC000051590636 358913052 /nfs/dbraw/zinc/91/30/52/358913052.db2.gz RTWWFQOQKPSTKP-UHFFFAOYSA-N 1 0 266.297 1.430 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000087383984 359033327 /nfs/dbraw/zinc/03/33/27/359033327.db2.gz JCPJJSUIUFXFTB-LLVKDONJSA-N 1 0 264.285 1.454 20 5 CDBDRO COC[C@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000120398064 359095019 /nfs/dbraw/zinc/09/50/19/359095019.db2.gz FBUJLXPVKJHEFI-MNOVXSKESA-N 1 0 295.339 1.936 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000262551160 359178024 /nfs/dbraw/zinc/17/80/24/359178024.db2.gz OSHOSPFAMJHWEI-SECBINFHSA-N 1 0 293.323 1.075 20 5 CDBDRO COC[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])OC ZINC000569941167 359271065 /nfs/dbraw/zinc/27/10/65/359271065.db2.gz LRZYLGGNRPVWKU-GXFFZTMASA-N 1 0 280.324 1.833 20 5 CDBDRO O=C(C[NH2+]C1CC1)NCCc1ccccc1[N+](=O)[O-] ZINC000570036332 359273867 /nfs/dbraw/zinc/27/38/67/359273867.db2.gz KJBWQNZJOJYGGK-UHFFFAOYSA-N 1 0 263.297 1.006 20 5 CDBDRO C[C@H](CNc1ncc([N+](=O)[O-])cn1)[N@@H+]1CCCC[C@@H]1C ZINC000354512434 359278575 /nfs/dbraw/zinc/27/85/75/359278575.db2.gz SPKYNTYSWFXRHN-WDEREUQCSA-N 1 0 279.344 1.482 20 5 CDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CCC[NH2+]C1 ZINC000050162646 359352540 /nfs/dbraw/zinc/35/25/40/359352540.db2.gz OYMILLDUBLJIMP-DTWKUNHWSA-N 1 0 267.285 1.306 20 5 CDBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](C)CO ZINC000339625184 359417898 /nfs/dbraw/zinc/41/78/98/359417898.db2.gz GZPHLZRMYIUWMT-SECBINFHSA-N 1 0 278.312 1.674 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000050245659 359407787 /nfs/dbraw/zinc/40/77/87/359407787.db2.gz HGIGCLWSAZIQMO-QMMMGPOBSA-N 1 0 267.260 1.155 20 5 CDBDRO COc1ccc(C[N@@H+]2CCC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000050104331 359571034 /nfs/dbraw/zinc/57/10/34/359571034.db2.gz VPQGSBWKJBRJBM-GFCCVEGCSA-N 1 0 280.324 1.808 20 5 CDBDRO C[C@@H](C[NH2+]CCc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000571790501 359613308 /nfs/dbraw/zinc/61/33/08/359613308.db2.gz QUPBBSLCGMBZEO-JTQLQIEISA-N 1 0 286.353 1.160 20 5 CDBDRO CCCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000347916888 359948744 /nfs/dbraw/zinc/94/87/44/359948744.db2.gz YRHVVVKCJJNVOO-UHFFFAOYSA-N 1 0 269.301 1.602 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000235438476 360112978 /nfs/dbraw/zinc/11/29/78/360112978.db2.gz XCQQPTNYBYLVEA-GHMZBOCLSA-N 1 0 277.324 1.774 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CCC[N@H+](C)C1 ZINC000153833156 360254457 /nfs/dbraw/zinc/25/44/57/360254457.db2.gz FRVSCZNOYOFLOS-VIFPVBQESA-N 1 0 267.285 1.354 20 5 CDBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])s1 ZINC000166679795 360213670 /nfs/dbraw/zinc/21/36/70/360213670.db2.gz MPAQVDQLZXHTHO-MRVPVSSYSA-N 1 0 269.326 1.528 20 5 CDBDRO COCC1(O)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000270302664 360222340 /nfs/dbraw/zinc/22/23/40/360222340.db2.gz BASPAWSQJWCVNH-UHFFFAOYSA-N 1 0 280.324 1.568 20 5 CDBDRO C[C@@H](O)CCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000354877076 360261939 /nfs/dbraw/zinc/26/19/39/360261939.db2.gz YBGIZBYAGGTJEA-CYBMUJFWSA-N 1 0 293.367 1.878 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177176379 189034463 /nfs/dbraw/zinc/03/44/63/189034463.db2.gz WWXQDJPPHQQPAR-WDEREUQCSA-N 1 0 289.335 1.950 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1csc([N+](=O)[O-])c1 ZINC000487500580 360502622 /nfs/dbraw/zinc/50/26/22/360502622.db2.gz ITGGBNDLWJUOPC-DTORHVGOSA-N 1 0 255.343 1.839 20 5 CDBDRO CN1CCC[C@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000225588183 360608952 /nfs/dbraw/zinc/60/89/52/360608952.db2.gz RKJPOSJBAVODDS-JTQLQIEISA-N 1 0 255.343 1.840 20 5 CDBDRO C[NH2+][C@@H]1CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000053204417 361204964 /nfs/dbraw/zinc/20/49/64/361204964.db2.gz RDEJAHXVFDWXCC-GFCCVEGCSA-N 1 0 279.340 1.787 20 5 CDBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000289796227 361410938 /nfs/dbraw/zinc/41/09/38/361410938.db2.gz YVOWSRVTDOOONB-RYUDHWBXSA-N 1 0 277.324 1.599 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000261607329 291280932 /nfs/dbraw/zinc/28/09/32/291280932.db2.gz RSQPALOXYINIKB-XVKPBYJWSA-N 1 0 267.260 1.296 20 5 CDBDRO C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000293436912 239278714 /nfs/dbraw/zinc/27/87/14/239278714.db2.gz OHQTXABUGAYGDA-TYNCELHUSA-N 1 0 293.367 1.653 20 5 CDBDRO Cc1c(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000580692144 363938246 /nfs/dbraw/zinc/93/82/46/363938246.db2.gz YJUIJZJTYUICTK-OCCSQVGLSA-N 1 0 280.324 1.078 20 5 CDBDRO Cc1cc(C(=O)N[C@@H](C)CCC[NH3+])cc([N+](=O)[O-])c1 ZINC000295219295 363946344 /nfs/dbraw/zinc/94/63/44/363946344.db2.gz MNAAODLCMXSSRL-JTQLQIEISA-N 1 0 265.313 1.760 20 5 CDBDRO C[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000267936902 363921206 /nfs/dbraw/zinc/92/12/06/363921206.db2.gz HTDCYTZDHFCVCT-LLVKDONJSA-N 1 0 279.340 1.594 20 5 CDBDRO Cc1cccc(C(=O)N[C@H](C)CCC[NH3+])c1[N+](=O)[O-] ZINC000295240806 363954713 /nfs/dbraw/zinc/95/47/13/363954713.db2.gz PAYZBHXERQMGFW-SNVBAGLBSA-N 1 0 265.313 1.760 20 5 CDBDRO CC[N@H+](CCO)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000267986870 364029986 /nfs/dbraw/zinc/02/99/86/364029986.db2.gz JNXYNOITQWFQSK-SNVBAGLBSA-N 1 0 281.312 1.236 20 5 CDBDRO COC[C@H](CCO)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223951881 370745946 /nfs/dbraw/zinc/74/59/46/370745946.db2.gz MJGFJBAZUSMAEW-YPMHNXCESA-N 1 0 282.340 1.951 20 5 CDBDRO C[NH+]1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000102890138 364647543 /nfs/dbraw/zinc/64/75/43/364647543.db2.gz YKGVMDAMVIPUMI-UHFFFAOYSA-N 1 0 296.302 1.140 20 5 CDBDRO Cc1cccc(NC[C@H](C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000275380488 193014337 /nfs/dbraw/zinc/01/43/37/193014337.db2.gz BEWDHTAIFDYJFO-ZDUSSCGKSA-N 1 0 292.383 1.951 20 5 CDBDRO CC[N@H+](CCCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270757500 366929178 /nfs/dbraw/zinc/92/91/78/366929178.db2.gz WMMRVOXPOLUBEF-UHFFFAOYSA-N 1 0 295.339 1.628 20 5 CDBDRO Cc1ccc(NC(=O)N[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000414656712 241305255 /nfs/dbraw/zinc/30/52/55/241305255.db2.gz JAMOKNDIYSENGH-QMMMGPOBSA-N 1 0 252.274 1.372 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000414697166 241332613 /nfs/dbraw/zinc/33/26/13/241332613.db2.gz ICLXMOYTMXVMAW-SECBINFHSA-N 1 0 266.301 1.762 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CNCC(C)(C)[NH3+] ZINC000414810537 241399803 /nfs/dbraw/zinc/39/98/03/241399803.db2.gz XLTVMAMSUXPYAH-UHFFFAOYSA-N 1 0 267.329 1.820 20 5 CDBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2COC[C@H]2O)cc1[N+](=O)[O-] ZINC000295986031 370820067 /nfs/dbraw/zinc/82/00/67/370820067.db2.gz PCGALVZMTNWBGE-IRUJWGPZSA-N 1 0 296.323 1.404 20 5 CDBDRO C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000272591217 367777821 /nfs/dbraw/zinc/77/78/21/367777821.db2.gz PMHKAIXIHLMNNX-RYUDHWBXSA-N 1 0 291.351 1.736 20 5 CDBDRO CC(C)[N@H+](C)CCCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266120246 368543257 /nfs/dbraw/zinc/54/32/57/368543257.db2.gz WGOKQHZGHOJUAG-UHFFFAOYSA-N 1 0 293.367 1.984 20 5 CDBDRO COc1cc(C[NH2+][C@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000330612972 203038000 /nfs/dbraw/zinc/03/80/00/203038000.db2.gz YJXUDBRAFWYUMP-ONGXEEELSA-N 1 0 296.323 1.966 20 5 CDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000420287396 244027790 /nfs/dbraw/zinc/02/77/90/244027790.db2.gz RKZWJJPBZKWFFI-BDAKNGLRSA-N 1 0 293.327 1.018 20 5 CDBDRO [NH3+]C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000420385299 244185254 /nfs/dbraw/zinc/18/52/54/244185254.db2.gz HJKAGLIOZYARKF-AWEZNQCLSA-N 1 0 295.339 1.023 20 5 CDBDRO C[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420403572 244205794 /nfs/dbraw/zinc/20/57/94/244205794.db2.gz LEDRXPWLFXSCKU-CHWSQXEVSA-N 1 0 293.367 1.890 20 5 CDBDRO C[C@H](CNc1cccc(F)c1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000301224349 369289477 /nfs/dbraw/zinc/28/94/77/369289477.db2.gz FDTMOOARQZQZRG-LLVKDONJSA-N 1 0 296.346 1.782 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2CCCN(C)C2=O)cc1[N+](=O)[O-] ZINC000344619083 369424289 /nfs/dbraw/zinc/42/42/89/369424289.db2.gz IAZUAKFALGNXQO-LLVKDONJSA-N 1 0 293.323 1.314 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+]1C ZINC000330898253 203367687 /nfs/dbraw/zinc/36/76/87/203367687.db2.gz IBTXZQBZDOINAY-IUCAKERBSA-N 1 0 266.301 1.135 20 5 CDBDRO COC(=O)c1cnc(NC[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000276598610 193396020 /nfs/dbraw/zinc/39/60/20/193396020.db2.gz ATMVCFPLWYNWAU-SECBINFHSA-N 1 0 294.311 1.140 20 5 CDBDRO CC(C)[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H](C)[NH3+] ZINC000399708613 370068829 /nfs/dbraw/zinc/06/88/29/370068829.db2.gz FENNTCSUQALFIH-MFKMUULPSA-N 1 0 279.340 1.830 20 5 CDBDRO C[C@@H](NC(=O)[C@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000037766492 370079428 /nfs/dbraw/zinc/07/94/28/370079428.db2.gz GUNQPFXWLKZFFD-ZWNOBZJWSA-N 1 0 277.324 1.914 20 5 CDBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000441332400 370091946 /nfs/dbraw/zinc/09/19/46/370091946.db2.gz JWEWPGKSIVWPNH-YBGXSUTOSA-N 1 0 289.335 1.722 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000094340103 139694660 /nfs/dbraw/zinc/69/46/60/139694660.db2.gz IVMPHAPKGBCOTF-PWSUYJOCSA-N 1 0 277.324 1.713 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000422832395 245313498 /nfs/dbraw/zinc/31/34/98/245313498.db2.gz UWRNGEOCZINMTJ-SECBINFHSA-N 1 0 279.340 1.797 20 5 CDBDRO CC[C@H](NC(=O)[C@@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000120794348 372793064 /nfs/dbraw/zinc/79/30/64/372793064.db2.gz YOIPJLDTHUJIGV-KCJUWKMLSA-N 1 0 251.286 1.509 20 5 CDBDRO CC(C)[C@H](C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266392836 372779544 /nfs/dbraw/zinc/77/95/44/372779544.db2.gz CKSDJBDFRGVTHM-CMPLNLGQSA-N 1 0 270.333 1.129 20 5 CDBDRO Cc1ccc(C(=O)N[C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000368372674 373832491 /nfs/dbraw/zinc/83/24/91/373832491.db2.gz AXGXNZVLAPGFSR-ZDUSSCGKSA-N 1 0 289.335 1.775 20 5 CDBDRO CCO[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000405327902 374052528 /nfs/dbraw/zinc/05/25/28/374052528.db2.gz DNDXXWRPRYKMSK-GHMZBOCLSA-N 1 0 285.369 1.452 20 5 CDBDRO CC[NH+](CC)CCN(CCOC)c1ncc([N+](=O)[O-])cn1 ZINC000274034414 374075507 /nfs/dbraw/zinc/07/55/07/374075507.db2.gz XFGRZNGSKDHJRH-UHFFFAOYSA-N 1 0 297.359 1.179 20 5 CDBDRO O=C([C@H]1CC[NH2+]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423719354 246000428 /nfs/dbraw/zinc/00/04/28/246000428.db2.gz FGYAPBVARKZQFM-CYBMUJFWSA-N 1 0 275.308 1.448 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000311434809 374254692 /nfs/dbraw/zinc/25/46/92/374254692.db2.gz DUJNEDLODODVPI-BRAIEQGRSA-N 1 0 263.297 1.462 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418610190 374265168 /nfs/dbraw/zinc/26/51/68/374265168.db2.gz FTPSXFIHVYPWBE-JTQLQIEISA-N 1 0 292.339 1.616 20 5 CDBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298844613 374234739 /nfs/dbraw/zinc/23/47/39/374234739.db2.gz JHMWNMBKTMDGCV-UHFFFAOYSA-N 1 0 278.312 1.280 20 5 CDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)C[NH2+]C ZINC000420195586 374292494 /nfs/dbraw/zinc/29/24/94/374292494.db2.gz KLBGGTNFYAJJQT-VIFPVBQESA-N 1 0 280.328 1.222 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000370056958 374378221 /nfs/dbraw/zinc/37/82/21/374378221.db2.gz TVBVFWSNCVSVBJ-UHFFFAOYSA-N 1 0 280.328 1.331 20 5 CDBDRO Cc1c(CC(=O)NC[C@@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000423460470 374382952 /nfs/dbraw/zinc/38/29/52/374382952.db2.gz SBVQECXIJVAFPN-VIFPVBQESA-N 1 0 265.313 1.157 20 5 CDBDRO C[S@](=O)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000116919334 374492416 /nfs/dbraw/zinc/49/24/16/374492416.db2.gz HBJQYLDRZOHPRI-QGZVFWFLSA-N 1 0 256.327 1.453 20 5 CDBDRO CC(C)(C)[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C(N)=O ZINC000081606104 374530796 /nfs/dbraw/zinc/53/07/96/374530796.db2.gz FOXDTCGDHOXINS-GFCCVEGCSA-N 1 0 295.339 1.463 20 5 CDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CC[NH3+])cc1OC ZINC000424014376 246291140 /nfs/dbraw/zinc/29/11/40/246291140.db2.gz ZSRDKGAIVNRHKU-UHFFFAOYSA-N 1 0 297.311 1.033 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)CCC[NH2+]C ZINC000424018811 246292846 /nfs/dbraw/zinc/29/28/46/246292846.db2.gz KFVPQOQEPYAPEP-UHFFFAOYSA-N 1 0 295.339 1.675 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[NH2+]CC1 ZINC000226458754 374696185 /nfs/dbraw/zinc/69/61/85/374696185.db2.gz NPXXISFARRYCSD-JTQLQIEISA-N 1 0 278.312 1.858 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000274472503 374673798 /nfs/dbraw/zinc/67/37/98/374673798.db2.gz XTOKGYGZVBTUOD-MRVPVSSYSA-N 1 0 278.312 1.246 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000447975867 374728512 /nfs/dbraw/zinc/72/85/12/374728512.db2.gz IGSAVUXNMSEEMZ-YYAKZPHOSA-N 1 0 292.335 1.738 20 5 CDBDRO CC[C@@H](CO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449263981 374796202 /nfs/dbraw/zinc/79/62/02/374796202.db2.gz KIYGSEMJMINHTP-PWSUYJOCSA-N 1 0 252.314 1.886 20 5 CDBDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000280122911 374982192 /nfs/dbraw/zinc/98/21/92/374982192.db2.gz BUNKLPXHCCUPHD-CYBMUJFWSA-N 1 0 263.297 1.292 20 5 CDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1(CO)CCOCC1 ZINC000282556567 375093118 /nfs/dbraw/zinc/09/31/18/375093118.db2.gz SZWHHDHYLZDTAB-UHFFFAOYSA-N 1 0 298.314 1.707 20 5 CDBDRO Cc1cc(N(C)CC[N@H+](C)C2CC2)ncc1[N+](=O)[O-] ZINC000302301359 375188697 /nfs/dbraw/zinc/18/86/97/375188697.db2.gz YPJNJHOGCZCAFG-UHFFFAOYSA-N 1 0 264.329 1.829 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000351531492 375305010 /nfs/dbraw/zinc/30/50/10/375305010.db2.gz XHDWYFJAVBEHCV-MNOVXSKESA-N 1 0 294.355 1.905 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000131670140 375309265 /nfs/dbraw/zinc/30/92/65/375309265.db2.gz XJLAPCBPHCWEPJ-LLVKDONJSA-N 1 0 264.285 1.550 20 5 CDBDRO COc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000162362049 375334811 /nfs/dbraw/zinc/33/48/11/375334811.db2.gz VDYCPSRVGBSSCU-GHMZBOCLSA-N 1 0 293.323 1.603 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN[C@H](CO)c1ccsc1 ZINC000352032559 375349336 /nfs/dbraw/zinc/34/93/36/375349336.db2.gz MJYHPKGENUUAML-SECBINFHSA-N 1 0 282.325 1.213 20 5 CDBDRO COc1ccc(C[NH2+]CCCOCCO)cc1[N+](=O)[O-] ZINC000227335395 375503592 /nfs/dbraw/zinc/50/35/92/375503592.db2.gz UYUAZBAOBINPKM-UHFFFAOYSA-N 1 0 284.312 1.092 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000305166783 375562847 /nfs/dbraw/zinc/56/28/47/375562847.db2.gz HWZIAXUXUGYZPZ-CABCVRRESA-N 1 0 292.335 1.741 20 5 CDBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000604073276 375644502 /nfs/dbraw/zinc/64/45/02/375644502.db2.gz KLKLEEUNZNERLP-UHFFFAOYSA-N 1 0 292.339 1.527 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000133445490 375782527 /nfs/dbraw/zinc/78/25/27/375782527.db2.gz FNTVRCQKCZMVJZ-LLVKDONJSA-N 1 0 293.323 1.184 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000355011350 375767975 /nfs/dbraw/zinc/76/79/75/375767975.db2.gz KMYULIBNYCPIPX-LBPRGKRZSA-N 1 0 296.371 1.749 20 5 CDBDRO CN(C)C(=O)NCC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000355030134 375770125 /nfs/dbraw/zinc/77/01/25/375770125.db2.gz KLLUILVPUPKDPU-UHFFFAOYSA-N 1 0 294.355 1.340 20 5 CDBDRO [NH3+]CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000307830471 375803551 /nfs/dbraw/zinc/80/35/51/375803551.db2.gz ZNOQJGDNBDJBMY-SECBINFHSA-N 1 0 291.229 1.604 20 5 CDBDRO Cc1n[nH]c(C(=O)NCC[N@H+]2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000355331953 375790847 /nfs/dbraw/zinc/79/08/47/375790847.db2.gz FGCLMGSGODKAGE-UHFFFAOYSA-N 1 0 293.327 1.008 20 5 CDBDRO Cc1ccc(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000357109251 375887547 /nfs/dbraw/zinc/88/75/47/375887547.db2.gz XDEVWKVCPPZJQS-UONOGXRCSA-N 1 0 275.352 1.945 20 5 CDBDRO CC(C)(CS(C)(=O)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000358300628 375960674 /nfs/dbraw/zinc/96/06/74/375960674.db2.gz PFLRYLNAYVEPPJ-UHFFFAOYSA-N 1 0 286.353 1.508 20 5 CDBDRO Cc1nc(N2CC[N@@H+]3CCCC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000296666534 376691106 /nfs/dbraw/zinc/69/11/06/376691106.db2.gz YXSIMAZPZJXBJK-LLVKDONJSA-N 1 0 277.328 1.368 20 5 CDBDRO CC[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000129154671 377333934 /nfs/dbraw/zinc/33/39/34/377333934.db2.gz JTDQQZSHDLPCKB-SNVBAGLBSA-N 1 0 265.317 1.529 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](C)CC2)c1 ZINC000173397531 378308743 /nfs/dbraw/zinc/30/87/43/378308743.db2.gz MMHSJVRXUFEYKB-UHFFFAOYSA-N 1 0 291.351 1.975 20 5 CDBDRO COC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444688387 250167565 /nfs/dbraw/zinc/16/75/65/250167565.db2.gz JKVAKTUFEYRGDH-CYBMUJFWSA-N 1 0 290.323 1.986 20 5 CDBDRO COc1ccc(OCC[N@@H+]2CC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000173787604 379220641 /nfs/dbraw/zinc/22/06/41/379220641.db2.gz DNIYENRKJPWZBD-NSHDSACASA-N 1 0 296.323 1.296 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@]2(CCO)CCOC2)c(F)c1 ZINC000447101750 250341458 /nfs/dbraw/zinc/34/14/58/250341458.db2.gz QEOMSBUUDOCIGI-CYBMUJFWSA-N 1 0 284.287 1.365 20 5 CDBDRO C[C@@H](O)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447572951 250388483 /nfs/dbraw/zinc/38/84/83/250388483.db2.gz FFZUNMKHAJLXLR-VWYCJHECSA-N 1 0 268.317 1.245 20 5 CDBDRO C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000245869898 379347999 /nfs/dbraw/zinc/34/79/99/379347999.db2.gz GRMTUJYXYSUKPY-GHMZBOCLSA-N 1 0 252.318 1.769 20 5 CDBDRO C[C@H]1C[N@H+](C)CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491577626 253092201 /nfs/dbraw/zinc/09/22/01/253092201.db2.gz YLOYPKRJPCWRBI-SYTKJHMZSA-N 1 0 289.335 1.771 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C2CCC2)CC1 ZINC000264897611 285165882 /nfs/dbraw/zinc/16/58/82/285165882.db2.gz ATXGUGGJANCDKK-UHFFFAOYSA-N 1 0 262.313 1.664 20 5 CDBDRO CN(CCOc1ccccc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC000359984738 390221577 /nfs/dbraw/zinc/22/15/77/390221577.db2.gz MMUWHWFFZMAMBK-ZDUSSCGKSA-N 1 0 279.340 1.643 20 5 CDBDRO C[C@H]1CCSCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000286242700 390193465 /nfs/dbraw/zinc/19/34/65/390193465.db2.gz RUWXQARPUIALQU-JTQLQIEISA-N 1 0 270.358 1.619 20 5 CDBDRO CCc1n[nH]c(C(=O)NC2(C[NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000281684322 195335702 /nfs/dbraw/zinc/33/57/02/195335702.db2.gz KUGCOZSPRNWWTM-UHFFFAOYSA-N 1 0 295.343 1.094 20 5 CDBDRO CC(C)[C@H](CO)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000451610354 390637377 /nfs/dbraw/zinc/63/73/77/390637377.db2.gz KGUAYCZTUDDIHD-KBPBESRZSA-N 1 0 298.387 1.670 20 5 CDBDRO CC1(C)CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000396057260 390674330 /nfs/dbraw/zinc/67/43/30/390674330.db2.gz IYCUQSWCMQWWCM-UHFFFAOYSA-N 1 0 278.312 1.811 20 5 CDBDRO C[C@@H](O)CC[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000075777878 390680216 /nfs/dbraw/zinc/68/02/16/390680216.db2.gz JHXMENPSJAQIEZ-LLVKDONJSA-N 1 0 268.313 1.676 20 5 CDBDRO Cc1cccc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000235364493 390872321 /nfs/dbraw/zinc/87/23/21/390872321.db2.gz UJYLBYCDUNKQAL-MWLCHTKSSA-N 1 0 263.297 1.322 20 5 CDBDRO Cc1cnc(N2CC[N@@H+](C)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000361262715 390833537 /nfs/dbraw/zinc/83/35/37/390833537.db2.gz OQMYRKOFFVLPJV-LLVKDONJSA-N 1 0 264.329 1.829 20 5 CDBDRO CCO[C@@H]1COC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000451937701 390941703 /nfs/dbraw/zinc/94/17/03/390941703.db2.gz MTOAAPBHIVFDKM-BXUZGUMPSA-N 1 0 296.323 1.367 20 5 CDBDRO C[C@@H]1CC[N@H+](C)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000354092474 391057383 /nfs/dbraw/zinc/05/73/83/391057383.db2.gz OCPQBWOVEPJAGG-SECBINFHSA-N 1 0 295.368 1.834 20 5 CDBDRO Cc1cc(C(=O)NC[C@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000237566527 391252688 /nfs/dbraw/zinc/25/26/88/391252688.db2.gz MREVEZVSSPNTDN-MRVPVSSYSA-N 1 0 251.286 1.228 20 5 CDBDRO Nc1c(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000449711357 391294783 /nfs/dbraw/zinc/29/47/83/391294783.db2.gz DHAAHFQRWGNXDY-RKDXNWHRSA-N 1 0 278.312 1.034 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000415507772 391468405 /nfs/dbraw/zinc/46/84/05/391468405.db2.gz UCFFFBBKMVSXLB-VIFPVBQESA-N 1 0 294.311 1.477 20 5 CDBDRO COc1ccc(NC(=O)N2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000415431520 391414669 /nfs/dbraw/zinc/41/46/69/391414669.db2.gz DOGZMDVCCGIVES-SECBINFHSA-N 1 0 294.311 1.558 20 5 CDBDRO CSc1ccc(C(=O)N[C@@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000449596580 391648761 /nfs/dbraw/zinc/64/87/61/391648761.db2.gz XTYMDYVTMGFNOH-YUMQZZPRSA-N 1 0 283.353 1.782 20 5 CDBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000341875180 130100832 /nfs/dbraw/zinc/10/08/32/130100832.db2.gz JIMSWXFKZKXBHO-PWSUYJOCSA-N 1 0 277.324 1.409 20 5 CDBDRO CCCC[N@H+](C)CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354722607 391921993 /nfs/dbraw/zinc/92/19/93/391921993.db2.gz DLVTZJIWNJYMGF-UHFFFAOYSA-N 1 0 294.355 1.639 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CC1 ZINC000416303282 391985089 /nfs/dbraw/zinc/98/50/89/391985089.db2.gz QUTVDDHPTKUHID-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO Cc1cccc(CC[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000449185534 392076413 /nfs/dbraw/zinc/07/64/13/392076413.db2.gz BKNFVQGXCACZSC-UHFFFAOYSA-N 1 0 274.324 1.932 20 5 CDBDRO Cc1ccc(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000592247116 392097462 /nfs/dbraw/zinc/09/74/62/392097462.db2.gz RTMGBYUDVXELMK-CYBMUJFWSA-N 1 0 291.351 1.973 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000238039137 131073632 /nfs/dbraw/zinc/07/36/32/131073632.db2.gz CJMNZARIVGFLIX-LLVKDONJSA-N 1 0 297.742 1.740 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261588732 131154406 /nfs/dbraw/zinc/15/44/06/131154406.db2.gz KIIPEDSQXRGLAQ-DTWKUNHWSA-N 1 0 265.269 1.012 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261588733 131154502 /nfs/dbraw/zinc/15/45/02/131154502.db2.gz KIIPEDSQXRGLAQ-IUCAKERBSA-N 1 0 265.269 1.012 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261748703 131166488 /nfs/dbraw/zinc/16/64/88/131166488.db2.gz SYFIGMMDCIROFO-STQMWFEESA-N 1 0 289.335 1.205 20 5 CDBDRO C[NH2+]CCC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000262217151 131202296 /nfs/dbraw/zinc/20/22/96/131202296.db2.gz OTVYAXJMGYCTJE-UHFFFAOYSA-N 1 0 285.731 1.816 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000262816433 131264313 /nfs/dbraw/zinc/26/43/13/131264313.db2.gz PDBQNHVQIOZJCM-GWCFXTLKSA-N 1 0 293.323 1.088 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000262906810 131272692 /nfs/dbraw/zinc/27/26/92/131272692.db2.gz YCZMVOOBOROQFH-MFKMUULPSA-N 1 0 293.323 1.088 20 5 CDBDRO COc1cc(C[NH2+]CC[C@H](C)OC)c([N+](=O)[O-])cc1O ZINC000263828174 131340830 /nfs/dbraw/zinc/34/08/30/131340830.db2.gz TZCUQRNEBVRULG-VIFPVBQESA-N 1 0 284.312 1.824 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000420232226 392910175 /nfs/dbraw/zinc/91/01/75/392910175.db2.gz BOBJWWFLPJHHND-SFYZADRCSA-N 1 0 254.265 1.811 20 5 CDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])cn2)C1 ZINC000301734099 392876273 /nfs/dbraw/zinc/87/62/73/392876273.db2.gz UKBHLFGGDMJXAS-WCQYABFASA-N 1 0 276.340 1.910 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC[C@H]21 ZINC000269000350 132097728 /nfs/dbraw/zinc/09/77/28/132097728.db2.gz JNPVXPJJVKRTJP-CMPLNLGQSA-N 1 0 292.339 1.479 20 5 CDBDRO COc1cc(C(=O)N(C)[C@@H](C)C[NH3+])cc([N+](=O)[O-])c1OC ZINC000269184388 132126523 /nfs/dbraw/zinc/12/65/23/132126523.db2.gz FOGKQKGEPXPVDM-QMMMGPOBSA-N 1 0 297.311 1.031 20 5 CDBDRO C[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000269189872 132128122 /nfs/dbraw/zinc/12/81/22/132128122.db2.gz GWCCQTHTURTRFW-QWRGUYRKSA-N 1 0 293.323 1.169 20 5 CDBDRO C[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000269219443 132134094 /nfs/dbraw/zinc/13/40/94/132134094.db2.gz QXOHTGKMSXWEOO-NSHDSACASA-N 1 0 291.351 1.693 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000421706867 392942674 /nfs/dbraw/zinc/94/26/74/392942674.db2.gz WAGVNPJFZFAXOS-SECBINFHSA-N 1 0 267.285 1.354 20 5 CDBDRO Cc1c(CC(=O)N[C@H](C)CCC[NH3+])cccc1[N+](=O)[O-] ZINC000423667463 392966091 /nfs/dbraw/zinc/96/60/91/392966091.db2.gz AYRDSUZCIOAQGK-SNVBAGLBSA-N 1 0 279.340 1.689 20 5 CDBDRO COc1cc(C(=O)N[C@H](C)[C@@H](C)[NH3+])cc([N+](=O)[O-])c1C ZINC000423684004 392966870 /nfs/dbraw/zinc/96/68/70/392966870.db2.gz QWJOILUXTGNVAB-RKDXNWHRSA-N 1 0 281.312 1.377 20 5 CDBDRO CCN(CCC[NH+](C)C)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000425252170 393004774 /nfs/dbraw/zinc/00/47/74/393004774.db2.gz GXAVPXVUPCACFJ-UHFFFAOYSA-N 1 0 294.355 1.472 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000194911012 393009902 /nfs/dbraw/zinc/00/99/02/393009902.db2.gz YUOHKDRCILRNCK-SECBINFHSA-N 1 0 279.340 1.969 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000430650203 393104176 /nfs/dbraw/zinc/10/41/76/393104176.db2.gz UMKWVVIWQXIPAU-CYBMUJFWSA-N 1 0 293.367 1.905 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@H](C)C[NH3+] ZINC000430929192 393105251 /nfs/dbraw/zinc/10/52/51/393105251.db2.gz NTZKXLUXJCYQJC-SNVBAGLBSA-N 1 0 280.328 1.121 20 5 CDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1ccccc1[N+](=O)[O-] ZINC000449624886 393135480 /nfs/dbraw/zinc/13/54/80/393135480.db2.gz OAKNHNFYMGULHH-QLHKPRNWSA-N 1 0 289.335 1.841 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](C)[NH3+])c1 ZINC000449591232 393136015 /nfs/dbraw/zinc/13/60/15/393136015.db2.gz MEGOSOXSIOLTHJ-JGVFFNPUSA-N 1 0 283.353 1.782 20 5 CDBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000185246392 140036788 /nfs/dbraw/zinc/03/67/88/140036788.db2.gz VCQLWZNJKPYIGH-CHWSQXEVSA-N 1 0 296.371 1.973 20 5 CDBDRO Cc1cc(C(=O)NCC2([NH3+])CCC2)ccc1[N+](=O)[O-] ZINC000230066057 140206885 /nfs/dbraw/zinc/20/68/85/140206885.db2.gz RVHLGZHLECWHTI-UHFFFAOYSA-N 1 0 263.297 1.514 20 5 CDBDRO [NH3+]C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000236164220 140239283 /nfs/dbraw/zinc/23/92/83/140239283.db2.gz WUNZBRHPAYOTDE-UHFFFAOYSA-N 1 0 264.285 1.598 20 5 CDBDRO COc1cc(C[NH2+]CC2(O)CCC2)c([N+](=O)[O-])cc1O ZINC000237131188 140251533 /nfs/dbraw/zinc/25/15/33/140251533.db2.gz FTBLWEZYRZQGTM-UHFFFAOYSA-N 1 0 282.296 1.314 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000261646410 140368346 /nfs/dbraw/zinc/36/83/46/140368346.db2.gz JEUZSQVZNBKBGF-JRKPZEMJSA-N 1 0 295.314 1.850 20 5 CDBDRO O=C(CC[C@@H]1CCC[NH2+]1)NCc1ccccc1[N+](=O)[O-] ZINC000261694354 140376597 /nfs/dbraw/zinc/37/65/97/140376597.db2.gz HXHCYQDDDGLSSY-LBPRGKRZSA-N 1 0 277.324 1.743 20 5 CDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261804679 140392074 /nfs/dbraw/zinc/39/20/74/140392074.db2.gz WEIYHLPHTSPQBS-ZDUSSCGKSA-N 1 0 291.351 1.642 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000261843333 140397563 /nfs/dbraw/zinc/39/75/63/140397563.db2.gz WACTTYBMHOLFJX-AWEZNQCLSA-N 1 0 277.324 1.335 20 5 CDBDRO CN(CC[NH3+])c1ncc([N+](=O)[O-])cc1Br ZINC000086482120 146932655 /nfs/dbraw/zinc/93/26/55/146932655.db2.gz AHOHFMJHCGMHNW-UHFFFAOYSA-N 1 0 275.106 1.147 20 5 CDBDRO CC(C)[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H](C)[NH3+] ZINC000423225117 397602892 /nfs/dbraw/zinc/60/28/92/397602892.db2.gz LHLUJHLVIXZJJW-BXUZGUMPSA-N 1 0 293.367 1.873 20 5 CDBDRO Cn1cnc(CC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC000095016018 147105667 /nfs/dbraw/zinc/10/56/67/147105667.db2.gz GIVYMOXYRCQPGR-UHFFFAOYSA-N 1 0 261.285 1.056 20 5 CDBDRO CCC[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000120977857 147354437 /nfs/dbraw/zinc/35/44/37/147354437.db2.gz VEQCZQZQOLQFJT-OCCSQVGLSA-N 1 0 296.371 1.664 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000168709915 147761616 /nfs/dbraw/zinc/76/16/16/147761616.db2.gz ZRFPMTAHYWXBDA-RKDXNWHRSA-N 1 0 281.287 1.543 20 5 CDBDRO C[NH+]1CCC(CNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183632501 148311585 /nfs/dbraw/zinc/31/15/85/148311585.db2.gz PAWZNCKIBCMEJD-UHFFFAOYSA-N 1 0 293.327 1.453 20 5 CDBDRO O=C1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCCN12 ZINC000313798909 149247146 /nfs/dbraw/zinc/24/71/46/149247146.db2.gz LJCNQRHMELAMOS-KGLIPLIRSA-N 1 0 289.335 1.838 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000343455633 152186269 /nfs/dbraw/zinc/18/62/69/152186269.db2.gz USHUZRDKAWLDSJ-GWCFXTLKSA-N 1 0 292.339 1.511 20 5 CDBDRO COc1cc(CN2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000346655113 153259255 /nfs/dbraw/zinc/25/92/55/153259255.db2.gz PURHLFADTYYRTJ-SNVBAGLBSA-N 1 0 281.312 1.145 20 5 CDBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000346685533 153271369 /nfs/dbraw/zinc/27/13/69/153271369.db2.gz SQAINFHKFWMVHN-GXFFZTMASA-N 1 0 278.308 1.978 20 5 CDBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000352202620 155019528 /nfs/dbraw/zinc/01/95/28/155019528.db2.gz KZZSEHZZYMIKBO-NSHDSACASA-N 1 0 252.314 1.840 20 5 CDBDRO C[NH+](C)CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352354662 155114089 /nfs/dbraw/zinc/11/40/89/155114089.db2.gz CPVFWWISFRWORO-UHFFFAOYSA-N 1 0 260.297 1.538 20 5 CDBDRO C[NH+](C)CCOCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000353941111 156170875 /nfs/dbraw/zinc/17/08/75/156170875.db2.gz UMHGOJKIANSKRO-UHFFFAOYSA-N 1 0 296.327 1.295 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCO[C@H](C[NH3+])C1 ZINC000357961031 157847162 /nfs/dbraw/zinc/84/71/62/157847162.db2.gz FIBPFLIHGXUIRI-CYBMUJFWSA-N 1 0 295.339 1.153 20 5 CDBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N(C)CC[NH+](C)C ZINC000360998214 158696700 /nfs/dbraw/zinc/69/67/00/158696700.db2.gz YWLVUULMQRMILP-UHFFFAOYSA-N 1 0 265.313 1.795 20 5 CDBDRO C[C@H](O)C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000361016507 158702769 /nfs/dbraw/zinc/70/27/69/158702769.db2.gz IMULDOJRGPWTPR-XOIDGJRKSA-N 1 0 250.298 1.921 20 5 CDBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[C@@H](C)C1 ZINC000362158600 159087541 /nfs/dbraw/zinc/08/75/41/159087541.db2.gz SODYEMYJFSKNDD-CHWSQXEVSA-N 1 0 296.371 1.928 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](CO)C(C)C ZINC000362189583 159093982 /nfs/dbraw/zinc/09/39/82/159093982.db2.gz JPVMDBXDPHXVJU-ZDUSSCGKSA-N 1 0 295.339 1.448 20 5 CDBDRO Cc1cc(NCCn2cncn2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000362975390 159281508 /nfs/dbraw/zinc/28/15/08/159281508.db2.gz FKXWDNZAGLSRGX-UHFFFAOYSA-N 1 0 298.306 1.577 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000363618957 159334008 /nfs/dbraw/zinc/33/40/08/159334008.db2.gz GBIKYIODKKXGMD-QWHCGFSZSA-N 1 0 289.335 1.951 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000373193346 160181470 /nfs/dbraw/zinc/18/14/70/160181470.db2.gz XXMPYZVNKIRZIC-UPJWGTAASA-N 1 0 292.339 1.339 20 5 CDBDRO CC(=O)NCCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284287790 196020982 /nfs/dbraw/zinc/02/09/82/196020982.db2.gz XRQUSAKEGOWKCJ-SECBINFHSA-N 1 0 280.328 1.354 20 5 CDBDRO COCCOCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000020192762 171058713 /nfs/dbraw/zinc/05/87/13/171058713.db2.gz MPWKRGCCRCLABD-UHFFFAOYSA-N 1 0 268.313 1.738 20 5 CDBDRO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000040634205 174360411 /nfs/dbraw/zinc/36/04/11/174360411.db2.gz XZDWIEVDFWHYAX-JIMOISOXSA-N 1 0 293.323 1.149 20 5 CDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[NH2+]C1 ZINC000044501376 175185772 /nfs/dbraw/zinc/18/57/72/175185772.db2.gz XGBRDYSBQVOWSP-LJLILKBBSA-N 1 0 289.335 1.724 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000044502037 175185913 /nfs/dbraw/zinc/18/59/13/175185913.db2.gz UFBGJLWNBQPCSD-SNVBAGLBSA-N 1 0 263.297 1.324 20 5 CDBDRO Cc1cc(C(=O)N2CCC(C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000044513025 175188698 /nfs/dbraw/zinc/18/86/98/175188698.db2.gz HUDYEYUNAKKPPH-UHFFFAOYSA-N 1 0 277.324 1.714 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](C)C1 ZINC000044537971 175199459 /nfs/dbraw/zinc/19/94/59/175199459.db2.gz FGKMCLUOHLSOPS-SECBINFHSA-N 1 0 253.306 1.082 20 5 CDBDRO Cc1c(C[NH2+]C[C@H](C)N(C)C)cccc1[N+](=O)[O-] ZINC000045107539 175308098 /nfs/dbraw/zinc/30/80/98/175308098.db2.gz MTTNHEJNVPCPGB-JTQLQIEISA-N 1 0 251.330 1.943 20 5 CDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CC[NH2+]C1 ZINC000071312653 176119118 /nfs/dbraw/zinc/11/91/18/176119118.db2.gz IIYCPLZCOXSSKW-QMMMGPOBSA-N 1 0 269.326 1.480 20 5 CDBDRO C[C@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000214007508 260222923 /nfs/dbraw/zinc/22/29/23/260222923.db2.gz KRZAFKADTYTKAM-IBHLPDHGSA-N 1 0 275.308 1.428 20 5 CDBDRO Cc1c(C(=O)NCC2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000023013476 265036529 /nfs/dbraw/zinc/03/65/29/265036529.db2.gz UVLUSIXZJBPZKR-UHFFFAOYSA-N 1 0 291.351 1.975 20 5 CDBDRO CNC(=O)[C@@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000103469762 270234856 /nfs/dbraw/zinc/23/48/56/270234856.db2.gz OIKQSGUSMOOOSK-LBPRGKRZSA-N 1 0 281.287 1.444 20 5 CDBDRO C[NH+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000330557312 273794673 /nfs/dbraw/zinc/79/46/73/273794673.db2.gz WNDPSYFDQBVDHP-UHFFFAOYSA-N 1 0 281.312 1.602 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000336942776 273808008 /nfs/dbraw/zinc/80/80/08/273808008.db2.gz ZOAWOMACKMJIFJ-HTQZYQBOSA-N 1 0 256.331 1.946 20 5 CDBDRO C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000430969168 274353018 /nfs/dbraw/zinc/35/30/18/274353018.db2.gz CCTUFABGCGVHPI-SKDRFNHKSA-N 1 0 267.304 1.903 20 5 CDBDRO C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000149456845 274369697 /nfs/dbraw/zinc/36/96/97/274369697.db2.gz IQVHXYWKUPVIHE-APPZFPTMSA-N 1 0 270.720 1.817 20 5 CDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)N(C)C ZINC000188994926 274480108 /nfs/dbraw/zinc/48/01/08/274480108.db2.gz FGEHLWWQUFOUJH-NEPJUHHUSA-N 1 0 293.367 1.982 20 5 CDBDRO Cc1cc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)ncc1[N+](=O)[O-] ZINC000261582187 274710560 /nfs/dbraw/zinc/71/05/60/274710560.db2.gz GOOUMOXPXZCECN-QWRGUYRKSA-N 1 0 262.313 1.486 20 5 CDBDRO O=C([C@H]1C[C@]12CC[NH2+]C2)N1CCc2c1cccc2[N+](=O)[O-] ZINC000375256397 275010201 /nfs/dbraw/zinc/01/02/01/275010201.db2.gz QNTMLZWROVGOFJ-ABAIWWIYSA-N 1 0 287.319 1.484 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCO)CCCC2 ZINC000417328833 275038249 /nfs/dbraw/zinc/03/82/49/275038249.db2.gz SQQGNZQYWNWPCN-CYBMUJFWSA-N 1 0 250.298 1.944 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC[NH2+]CC3)c21 ZINC000420158710 275039574 /nfs/dbraw/zinc/03/95/74/275039574.db2.gz HUSCETKXOPQHRH-UHFFFAOYSA-N 1 0 273.296 1.338 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000347218972 276104224 /nfs/dbraw/zinc/10/42/24/276104224.db2.gz BFOWNTRFVWTJDQ-SECBINFHSA-N 1 0 269.301 1.648 20 5 CDBDRO CCOc1cccc(N2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000135049819 276498742 /nfs/dbraw/zinc/49/87/42/276498742.db2.gz IUOIORGOLPUHLV-SNVBAGLBSA-N 1 0 265.313 1.921 20 5 CDBDRO COCC[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000282128253 277552740 /nfs/dbraw/zinc/55/27/40/277552740.db2.gz GBUCBSAHFSSVTM-LLVKDONJSA-N 1 0 254.286 1.082 20 5 CDBDRO CC1(C)CCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000191302867 278236196 /nfs/dbraw/zinc/23/61/96/278236196.db2.gz QPWTUMVFWBUOQS-LBPRGKRZSA-N 1 0 279.340 1.925 20 5 CDBDRO C[C@@H]1[NH2+]CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H]1C ZINC000262885608 279037009 /nfs/dbraw/zinc/03/70/09/279037009.db2.gz WJVXISCQAIQIBX-IUCAKERBSA-N 1 0 281.287 1.556 20 5 CDBDRO CC[NH+](CC)CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067722665 279203633 /nfs/dbraw/zinc/20/36/33/279203633.db2.gz PYQMEGHIFBNUNP-UHFFFAOYSA-N 1 0 294.355 1.736 20 5 CDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320895 279277113 /nfs/dbraw/zinc/27/71/13/279277113.db2.gz JSJHSEAITMISRV-IPBFNNSJSA-N 1 0 287.319 1.286 20 5 CDBDRO Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000108337579 279305816 /nfs/dbraw/zinc/30/58/16/279305816.db2.gz BAWVDXMTQAQLBF-GFCCVEGCSA-N 1 0 291.351 1.975 20 5 CDBDRO [NH3+]CC1(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000111831989 279325913 /nfs/dbraw/zinc/32/59/13/279325913.db2.gz CNEJCCVQFXDUBE-VOTSOKGWSA-N 1 0 289.335 1.996 20 5 CDBDRO CC(C)[N@H+](C)CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000195309500 280078370 /nfs/dbraw/zinc/07/83/70/280078370.db2.gz IIMOIIMEGMZAJW-UHFFFAOYSA-N 1 0 279.340 1.893 20 5 CDBDRO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000226775150 280102170 /nfs/dbraw/zinc/10/21/70/280102170.db2.gz QGPLRCWKRCOMGW-JGVFFNPUSA-N 1 0 256.331 1.946 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000238045580 280197658 /nfs/dbraw/zinc/19/76/58/280197658.db2.gz BQJUBZMXYHGOJB-FVOPLDGLSA-N 1 0 293.298 1.697 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc([N+](=O)[O-])c1 ZINC000373051630 280337404 /nfs/dbraw/zinc/33/74/04/280337404.db2.gz KUMPTNDYOHQSCX-RISCZKNCSA-N 1 0 289.335 1.727 20 5 CDBDRO C[C@@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)CO ZINC000248881726 280390621 /nfs/dbraw/zinc/39/06/21/280390621.db2.gz DGPJPATXKGYXKS-GHMZBOCLSA-N 1 0 268.313 1.158 20 5 CDBDRO Cc1cccc(N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000302514442 281228110 /nfs/dbraw/zinc/22/81/10/281228110.db2.gz UUGGOPOBIXYZHW-OLZOCXBDSA-N 1 0 293.367 1.795 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCCO1 ZINC000556610843 290274943 /nfs/dbraw/zinc/27/49/43/290274943.db2.gz MNILWOIDJPIUBZ-NEPJUHHUSA-N 1 0 296.323 1.103 20 5 CDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000559641360 290456505 /nfs/dbraw/zinc/45/65/05/290456505.db2.gz WKVXBEXKTVMBJQ-BPNCWPANSA-N 1 0 279.340 1.263 20 5 CDBDRO CC[NH2+]CCCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000561152545 293055311 /nfs/dbraw/zinc/05/53/11/293055311.db2.gz IWQUGCMUFXNERM-UHFFFAOYSA-N 1 0 280.328 1.394 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCSC1 ZINC000562990426 293236502 /nfs/dbraw/zinc/23/65/02/293236502.db2.gz YBRJSLQHXNUHPG-QWRGUYRKSA-N 1 0 298.364 1.430 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](O)COc1ccc([N+](=O)[O-])c(CO)c1 ZINC000570653236 294281834 /nfs/dbraw/zinc/28/18/34/294281834.db2.gz XRSQKRFJLJKBQU-GFCCVEGCSA-N 1 0 298.339 1.167 20 5 CDBDRO NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000048346796 295179360 /nfs/dbraw/zinc/17/93/60/295179360.db2.gz ZJNYISRFUHZFTO-GFCCVEGCSA-N 1 0 293.323 1.041 20 5 CDBDRO [NH3+]CC[C@H]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000415388926 295240057 /nfs/dbraw/zinc/24/00/57/295240057.db2.gz SHZZBJNWQVRNSR-SNVBAGLBSA-N 1 0 293.327 1.004 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000149409775 295266027 /nfs/dbraw/zinc/26/60/27/295266027.db2.gz TVIXYPIGMOOSNT-SECBINFHSA-N 1 0 270.720 1.961 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1c1c(F)cccc1[N+](=O)[O-] ZINC000261572925 297398467 /nfs/dbraw/zinc/39/84/67/297398467.db2.gz MBNSTKKOXBJSFR-RKDXNWHRSA-N 1 0 253.277 1.907 20 5 CDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000261728126 301014047 /nfs/dbraw/zinc/01/40/47/301014047.db2.gz KWMFEKUGFAQUPH-ZJUUUORDSA-N 1 0 299.352 1.013 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163717008 302038454 /nfs/dbraw/zinc/03/84/54/302038454.db2.gz ZHRPKFQHOKDGMF-PWSUYJOCSA-N 1 0 291.351 1.960 20 5 CDBDRO [NH3+]C[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000237909110 303417689 /nfs/dbraw/zinc/41/76/89/303417689.db2.gz CLIFZBKIXXKGGU-JTQLQIEISA-N 1 0 283.715 1.715 20 5 CDBDRO COc1cccc(C(=O)NC[C@@H]([NH3+])C2CC2)c1[N+](=O)[O-] ZINC000575747183 317006677 /nfs/dbraw/zinc/00/66/77/317006677.db2.gz CHNOMRWMWFZDFV-SNVBAGLBSA-N 1 0 279.296 1.071 20 5 CDBDRO CC(C)[NH2+]CCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000575746175 317006738 /nfs/dbraw/zinc/00/67/38/317006738.db2.gz QEFMWGAWHINRBC-UHFFFAOYSA-N 1 0 279.340 1.642 20 5 CDBDRO Cc1nc(N2CCCC[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000576615400 317173891 /nfs/dbraw/zinc/17/38/91/317173891.db2.gz GVDDOFSGSHAQIT-VIFPVBQESA-N 1 0 251.290 1.011 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000577370066 317316094 /nfs/dbraw/zinc/31/60/94/317316094.db2.gz UUQDLCKDAQTKSQ-SKDRFNHKSA-N 1 0 293.323 1.218 20 5 CDBDRO CC(C)COC[C@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000578640942 323986013 /nfs/dbraw/zinc/98/60/13/323986013.db2.gz CSCGUHZZCWFDGG-CQSZACIVSA-N 1 0 296.367 1.760 20 5 CDBDRO CC[N@H+](C)C[C@@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000579021865 324086016 /nfs/dbraw/zinc/08/60/16/324086016.db2.gz IVORNVCJTAWZQA-OAHLLOKOSA-N 1 0 295.383 1.382 20 5 CDBDRO CNc1ccc(C(=O)NCCC[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000579351271 324163878 /nfs/dbraw/zinc/16/38/78/324163878.db2.gz QIGMZGIYAMSZMI-UHFFFAOYSA-N 1 0 294.355 1.754 20 5 CDBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])nc3)C2)C1 ZINC000579663957 324244207 /nfs/dbraw/zinc/24/42/07/324244207.db2.gz KARMLIAXETVIBP-ZDUSSCGKSA-N 1 0 262.313 1.522 20 5 CDBDRO CCC[NH2+]CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000581477856 324755441 /nfs/dbraw/zinc/75/54/41/324755441.db2.gz IARZXANALPCBLQ-UHFFFAOYSA-N 1 0 280.328 1.394 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC2CC[NH2+]CC2)c1 ZINC000582410699 324969646 /nfs/dbraw/zinc/96/96/46/324969646.db2.gz AUPJADSCGIOADH-UHFFFAOYSA-N 1 0 293.323 1.793 20 5 CDBDRO CN(c1ncc([N+](=O)[O-])cc1F)[C@H]1CCC[N@H+](C)C1 ZINC000583486596 325184678 /nfs/dbraw/zinc/18/46/78/325184678.db2.gz OLXZBUZRYMTHHC-VIFPVBQESA-N 1 0 268.292 1.659 20 5 CDBDRO CNc1ccc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000583793091 325240758 /nfs/dbraw/zinc/24/07/58/325240758.db2.gz RRUVCYGKQLKANO-GFCCVEGCSA-N 1 0 292.339 1.507 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000148786615 522072379 /nfs/dbraw/zinc/07/23/79/522072379.db2.gz VWQLDKYJZVQMMA-VIFPVBQESA-N 1 0 265.313 1.489 20 5 CDBDRO C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000153287589 533830515 /nfs/dbraw/zinc/83/05/15/533830515.db2.gz ZAUWGNKBKPHHJX-RYUDHWBXSA-N 1 0 291.351 1.736 20 5 CDBDRO Cn1nncc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000287483836 534364957 /nfs/dbraw/zinc/36/49/57/534364957.db2.gz XIMUSDSAZJJNIN-AWEZNQCLSA-N 1 0 287.323 1.891 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000054132601 519623540 /nfs/dbraw/zinc/62/35/40/519623540.db2.gz TZABDNJLDXJUGN-UHFFFAOYSA-N 1 0 280.328 1.247 20 5 CDBDRO CCC[N@H+](CCO)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000052922526 521667551 /nfs/dbraw/zinc/66/75/51/521667551.db2.gz VTJFQHFPACAIFO-UHFFFAOYSA-N 1 0 296.323 1.666 20 5 CDBDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943177 521951355 /nfs/dbraw/zinc/95/13/55/521951355.db2.gz XDWDZMXEDMLRMF-CABZTGNLSA-N 1 0 265.313 1.584 20 5 CDBDRO Cn1c(C(=O)NC[C@@H](C2CC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000340314812 522022670 /nfs/dbraw/zinc/02/26/70/522022670.db2.gz VVWBYLFKIPHOPZ-NSHDSACASA-N 1 0 280.328 1.003 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000237307738 522065878 /nfs/dbraw/zinc/06/58/78/522065878.db2.gz HSDKLMMOYJQCHD-JTQLQIEISA-N 1 0 279.340 1.802 20 5 CDBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943176 522367778 /nfs/dbraw/zinc/36/77/78/522367778.db2.gz XDWDZMXEDMLRMF-SKDRFNHKSA-N 1 0 265.313 1.584 20 5 CDBDRO C[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]C1 ZINC000050164003 525661600 /nfs/dbraw/zinc/66/16/00/525661600.db2.gz SUDVBNCJAFNVPY-UWVGGRQHSA-N 1 0 250.302 1.790 20 5 CDBDRO Cc1c(NC(=O)[C@@]2(F)CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000150690284 525855236 /nfs/dbraw/zinc/85/52/36/525855236.db2.gz LNVQWMQWXKKVQN-GFCCVEGCSA-N 1 0 267.260 1.543 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCC[NH3+] ZINC000070202029 526077622 /nfs/dbraw/zinc/07/76/22/526077622.db2.gz OAERSYHCEWXHMO-UHFFFAOYSA-N 1 0 251.286 1.971 20 5 CDBDRO O=C(C[C@@H]1CCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000150845420 527115810 /nfs/dbraw/zinc/11/58/10/527115810.db2.gz XHJXEHXMCNTZKS-NSHDSACASA-N 1 0 275.308 1.626 20 5 CDBDRO O=[N+]([O-])c1ccccc1CNC[C@H](O)C[NH+]1CCCC1 ZINC000050015761 527401123 /nfs/dbraw/zinc/40/11/23/527401123.db2.gz KSPLQOZBCUPTII-ZDUSSCGKSA-N 1 0 279.340 1.141 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000365820908 527407441 /nfs/dbraw/zinc/40/74/41/527407441.db2.gz ORGZMGKHTZAKLT-NSHDSACASA-N 1 0 280.328 1.465 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000364798910 527414607 /nfs/dbraw/zinc/41/46/07/527414607.db2.gz LYHXBCPOTQHLET-AWEZNQCLSA-N 1 0 294.355 1.682 20 5 CDBDRO Cc1nn(C)c(N2CC[C@H](C)[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000229095324 527676506 /nfs/dbraw/zinc/67/65/06/527676506.db2.gz FFBZAAHVMZGSTR-WPRPVWTQSA-N 1 0 267.333 1.058 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000424058289 535022565 /nfs/dbraw/zinc/02/25/65/535022565.db2.gz NFSKUXBJHQBNQP-UHFFFAOYSA-N 1 0 281.312 1.217 20 5 CDBDRO C[NH2+][C@@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430592905 536377897 /nfs/dbraw/zinc/37/78/97/536377897.db2.gz NUWDDYSKLJMDOD-ZYHUDNBSSA-N 1 0 292.339 1.216 20 5 CDBDRO COc1cc(C(=O)N[C@H](C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000311441846 536513352 /nfs/dbraw/zinc/51/33/52/536513352.db2.gz GRZKDSHWEDPHCV-MRVPVSSYSA-N 1 0 267.285 1.071 20 5 CDBDRO COc1ccc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000168697466 536732878 /nfs/dbraw/zinc/73/28/78/536732878.db2.gz NCLRPJYRPAJQAK-GXSJLCMTSA-N 1 0 293.323 1.413 20 5 CDBDRO COCC[N@@H+]1CC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000264607497 536879329 /nfs/dbraw/zinc/87/93/29/536879329.db2.gz OSTGEDFTYKFMIV-NSHDSACASA-N 1 0 283.303 1.867 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[NH2+]C(C)(C)C ZINC000427878695 536885378 /nfs/dbraw/zinc/88/53/78/536885378.db2.gz WJROFWKQQNXLGQ-UHFFFAOYSA-N 1 0 295.339 1.721 20 5 CDBDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000228112711 536896328 /nfs/dbraw/zinc/89/63/28/536896328.db2.gz PBLHYCYWQXXGSX-VHSXEESVSA-N 1 0 268.313 1.852 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@@H](C)C2)c1 ZINC000237241070 536948739 /nfs/dbraw/zinc/94/87/39/536948739.db2.gz CEPCHERUMSVPTQ-VIFPVBQESA-N 1 0 279.296 1.037 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000427335835 536951829 /nfs/dbraw/zinc/95/18/29/536951829.db2.gz OSPABHIJGPJTOM-JTQLQIEISA-N 1 0 293.323 1.219 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCCCO2)c1 ZINC000749691710 574539401 /nfs/dbraw/zinc/53/94/01/574539401.db2.gz RCIQTXVISPCBOK-ZIAGYGMSSA-N 1 0 280.324 1.787 20 5 CDBDRO C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000761069293 574931720 /nfs/dbraw/zinc/93/17/20/574931720.db2.gz JSLLPGLQWPLXAN-LBPRGKRZSA-N 1 0 279.340 1.610 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](CO)C2CC2)cc1 ZINC000771813443 575617403 /nfs/dbraw/zinc/61/74/03/575617403.db2.gz PIEKKMLXYJHLHY-CYBMUJFWSA-N 1 0 266.297 1.334 20 5 CDBDRO COc1cc(C[NH2+][C@@H](CO)C2CC2)c([N+](=O)[O-])cc1F ZINC000771813901 575617541 /nfs/dbraw/zinc/61/75/41/575617541.db2.gz QMKNGEYLBBJOFN-NSHDSACASA-N 1 0 284.287 1.603 20 5 CDBDRO C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000768774545 576307586 /nfs/dbraw/zinc/30/75/86/576307586.db2.gz VESSYSFSXLBABD-TYNCELHUSA-N 1 0 293.367 1.653 20 5 CDBDRO CC[C@@H](C(=O)OCCn1cc([N+](=O)[O-])cn1)[NH+](CC)CC ZINC000748130142 576896734 /nfs/dbraw/zinc/89/67/34/576896734.db2.gz WGTJFWJMPVJGIM-LBPRGKRZSA-N 1 0 298.343 1.455 20 5 CDBDRO NC(=O)C1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000750104279 576976059 /nfs/dbraw/zinc/97/60/59/576976059.db2.gz FRRRZVRECASPFP-GFCCVEGCSA-N 1 0 293.323 1.016 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1COC[C@H]1C ZINC000932487741 617314559 /nfs/dbraw/zinc/31/45/59/617314559.db2.gz CLBDJQUPDGWHDX-SKDRFNHKSA-N 1 0 266.297 1.728 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000892674799 617581640 /nfs/dbraw/zinc/58/16/40/617581640.db2.gz YQHOJXMRRHGCJI-UWVGGRQHSA-N 1 0 280.328 1.893 20 5 CDBDRO CNC(=O)c1ccc(N2C[C@H](C)[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000127938573 617632024 /nfs/dbraw/zinc/63/20/24/617632024.db2.gz BRPPOEVCVUGLNT-UWVGGRQHSA-N 1 0 292.339 1.141 20 5 CDBDRO CC[C@@H](CO)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000931767471 617721265 /nfs/dbraw/zinc/72/12/65/617721265.db2.gz SBSLCSMTRZQBRJ-JTQLQIEISA-N 1 0 254.286 1.334 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cccnc2)cc1 ZINC000106140753 618094943 /nfs/dbraw/zinc/09/49/43/618094943.db2.gz OGDNYIRSBFZOAT-AWEZNQCLSA-N 1 0 273.292 1.813 20 5 CDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000893937855 618198180 /nfs/dbraw/zinc/19/81/80/618198180.db2.gz AYNCUYBVEDYLPM-ZANVPECISA-N 1 0 287.323 1.611 20 5 CDBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2C[NH2+]CCO2)cc1Cl ZINC000841101288 618682956 /nfs/dbraw/zinc/68/29/56/618682956.db2.gz RLPNFHWEGAXNLP-JTQLQIEISA-N 1 0 285.731 1.326 20 5 CDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1COCO1 ZINC000894879497 619116147 /nfs/dbraw/zinc/11/61/47/619116147.db2.gz YVFWJJPQBLLMKU-AAEUAGOBSA-N 1 0 280.324 1.878 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH+](C)C)c1C ZINC000897760362 621096123 /nfs/dbraw/zinc/09/61/23/621096123.db2.gz OHNOLCBPYGWPCT-JTQLQIEISA-N 1 0 279.340 1.892 20 5 CDBDRO COc1cccc([C@H](C[NH2+]CC[N+](=O)[O-])N(C)C)c1 ZINC000899861169 622487423 /nfs/dbraw/zinc/48/74/23/622487423.db2.gz WRGKOSDQAIXGHU-ZDUSSCGKSA-N 1 0 267.329 1.164 20 5 CDBDRO CC(=O)c1ccc(N2CC[C@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000900380330 622958552 /nfs/dbraw/zinc/95/85/52/622958552.db2.gz JIXCDKVCZGCNCJ-NSHDSACASA-N 1 0 277.324 1.973 20 5 CDBDRO COCC[N@H+](C)Cc1cc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000901398711 624220573 /nfs/dbraw/zinc/22/05/73/624220573.db2.gz HAJJRZGFOMQMMT-UHFFFAOYSA-N 1 0 281.268 1.921 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CCN(C[C@H]3CCC[NH2+]3)CC2)n1 ZINC000903456281 626002215 /nfs/dbraw/zinc/00/22/15/626002215.db2.gz FMLMRMBICIXOLA-LLVKDONJSA-N 1 0 279.344 1.180 20 5 CDBDRO C[NH+](C)C1CCN(c2ccc(NCC[N+](=O)[O-])cc2)CC1 ZINC000905329144 626770824 /nfs/dbraw/zinc/77/08/24/626770824.db2.gz KPIDFKCTRLXFOL-UHFFFAOYSA-N 1 0 292.383 1.906 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000905372932 626789374 /nfs/dbraw/zinc/78/93/74/626789374.db2.gz LTALIAWVIZMXAD-SNVBAGLBSA-N 1 0 262.668 1.379 20 5 CDBDRO [NH3+]C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000033442043 632315271 /nfs/dbraw/zinc/31/52/71/632315271.db2.gz CUOYWMFLHBTTDH-UHFFFAOYSA-N 1 0 283.715 1.812 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCO2)c([N+](=O)[O-])c1 ZINC001170307478 1162340153 /nfs/dbraw/zinc/34/01/53/1162340153.db2.gz GENYZHGDPNEGAL-MFKMUULPSA-N 1 0 280.324 1.913 20 5 CDBDRO Cc1c(C)c(N2CC[C@](F)(C[NH3+])C2)ncc1[N+](=O)[O-] ZINC001157816562 1162447761 /nfs/dbraw/zinc/44/77/61/1162447761.db2.gz CWTNDWPFFMLNCK-LBPRGKRZSA-N 1 0 268.292 1.484 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CC[N@@H+]2CC[C@H]2C1 ZINC001158424470 1162981639 /nfs/dbraw/zinc/98/16/39/1162981639.db2.gz VPAREGHCKIRYFO-QMMMGPOBSA-N 1 0 268.704 1.538 20 5 CDBDRO COC(=O)c1cc(C)nc(-n2cccc2C[NH3+])c1[N+](=O)[O-] ZINC001167589285 1159140833 /nfs/dbraw/zinc/14/08/33/1159140833.db2.gz FIPODKCOFXHXSG-UHFFFAOYSA-N 1 0 290.279 1.334 20 5 CDBDRO CC(C)n1cnc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168999877 1161996890 /nfs/dbraw/zinc/99/68/90/1161996890.db2.gz VZNFROSMYMVYGJ-RYUDHWBXSA-N 1 0 266.345 1.999 20 5 CDBDRO Cc1cc(Cl)nc(N2C[C@H]([NH3+])C3(COC3)C2)c1[N+](=O)[O-] ZINC001158762253 1163538234 /nfs/dbraw/zinc/53/82/34/1163538234.db2.gz LQUHBNZQLSOHSN-QMMMGPOBSA-N 1 0 298.730 1.116 20 5 CDBDRO COc1cnc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC001155583908 1167243052 /nfs/dbraw/zinc/24/30/52/1167243052.db2.gz UQRQHBXQHLGZKU-MIMYLULJSA-N 1 0 278.312 1.408 20 5 CDBDRO Cc1nc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC001155634169 1167270845 /nfs/dbraw/zinc/27/08/45/1167270845.db2.gz ADANQKTZJQYMPZ-GWCFXTLKSA-N 1 0 293.327 1.016 20 5 CDBDRO C[C@H](C(=O)N1CCC[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1F ZINC001575057064 1171098752 /nfs/dbraw/zinc/09/87/52/1171098752.db2.gz NXHJKORMQDWHJQ-UWVGGRQHSA-N 1 0 295.314 1.787 20 5 CDBDRO COc1cccc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2F)c1[N+](=O)[O-] ZINC001579260290 1172128127 /nfs/dbraw/zinc/12/81/27/1172128127.db2.gz ZAYRUBYTKHQDFS-VHSXEESVSA-N 1 0 297.286 1.033 20 5 CDBDRO C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])[C@@H]2C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC001579413279 1172171715 /nfs/dbraw/zinc/17/17/15/1172171715.db2.gz XKKAIAPWJBNFOG-BCTPILQISA-N 1 0 289.335 1.755 20 5 CDBDRO Cc1c(CNC(=O)N2C[C@H]([NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC001579534355 1172207445 /nfs/dbraw/zinc/20/74/45/1172207445.db2.gz GNUMVOSHSJQBAJ-BXKDBHETSA-N 1 0 292.339 1.534 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2(O)CCCC2)cc1 ZINC000158654956 1178226199 /nfs/dbraw/zinc/22/61/99/1178226199.db2.gz AGFBZPNGSLFFSI-ZDUSSCGKSA-N 1 0 280.324 1.523 20 5 CDBDRO Nc1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)nc1[N+](=O)[O-] ZINC000312471155 1186698951 /nfs/dbraw/zinc/69/89/51/1186698951.db2.gz GTVBQISCARTNEW-GHMZBOCLSA-N 1 0 277.328 1.611 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC001164629418 719153245 /nfs/dbraw/zinc/15/32/45/719153245.db2.gz ASMNMVPDCMYWHE-WDEREUQCSA-N 1 0 264.329 1.827 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(N)n2)C1 ZINC000167842505 721892889 /nfs/dbraw/zinc/89/28/89/721892889.db2.gz CEQVPDPRSXCICK-SECBINFHSA-N 1 0 265.317 1.102 20 5 CDBDRO CC[NH+](CC)CCCOC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000800127598 773750335 /nfs/dbraw/zinc/75/03/35/773750335.db2.gz VITRZKLDLDVVAG-UHFFFAOYSA-N 1 0 284.316 1.066 20 5 CDBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CNC(=O)C1 ZINC000851821417 773758038 /nfs/dbraw/zinc/75/80/38/773758038.db2.gz VPQSNDCKPQADCS-VIFPVBQESA-N 1 0 297.742 1.816 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700609385 773812807 /nfs/dbraw/zinc/81/28/07/773812807.db2.gz YRFYVCHFQHCIAE-QMMMGPOBSA-N 1 0 271.704 1.715 20 5 CDBDRO C[C@H](N[C@@H]1C[NH2+]CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000925591774 773883237 /nfs/dbraw/zinc/88/32/37/773883237.db2.gz AWSGSCCRPRZYMF-CMPLNLGQSA-N 1 0 265.313 1.234 20 5 CDBDRO C[C@H]([NH2+][C@H](CO)CCF)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846210616 774012300 /nfs/dbraw/zinc/01/23/00/774012300.db2.gz ZQUAVZNPHQEGRN-WPRPVWTQSA-N 1 0 271.292 1.548 20 5 CDBDRO C[C@@H]1C[C@H](CO)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000817278164 774034177 /nfs/dbraw/zinc/03/41/77/774034177.db2.gz TVDWPPAZNQMKDG-XUJVJEKNSA-N 1 0 294.351 1.579 20 5 CDBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886086156 774111674 /nfs/dbraw/zinc/11/16/74/774111674.db2.gz HPBWJAOTPRQGEX-LBPRGKRZSA-N 1 0 292.339 1.290 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](C)[C@@H](C)[NH3+])CC2 ZINC000818608372 774275699 /nfs/dbraw/zinc/27/56/99/774275699.db2.gz BBYYQNWKPKNMLO-NXEZZACHSA-N 1 0 277.324 1.776 20 5 CDBDRO Cc1ncc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)n1C ZINC000825903823 774354039 /nfs/dbraw/zinc/35/40/39/774354039.db2.gz SUPBKZZRZDXGDB-UHFFFAOYSA-N 1 0 289.339 1.602 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC=C(Cl)C1 ZINC000878789779 774368305 /nfs/dbraw/zinc/36/83/05/774368305.db2.gz DABXAFKBVDBHDQ-UHFFFAOYSA-N 1 0 270.720 1.928 20 5 CDBDRO CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001021746015 774391785 /nfs/dbraw/zinc/39/17/85/774391785.db2.gz HGKCDMPUUBNSIU-TXEJJXNPSA-N 1 0 263.297 1.352 20 5 CDBDRO CC(C)[C@@H](CO)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843081105 774808476 /nfs/dbraw/zinc/80/84/76/774808476.db2.gz PCVDBRYNLBEVHF-TZMCWYRMSA-N 1 0 282.340 1.482 20 5 CDBDRO CCOc1cc(NC[C@@H](O)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000717283855 774810422 /nfs/dbraw/zinc/81/04/22/774810422.db2.gz YCQPDDQUWKTKNH-LLVKDONJSA-N 1 0 283.328 1.328 20 5 CDBDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886075134 774821452 /nfs/dbraw/zinc/82/14/52/774821452.db2.gz CNUCDVPZFHBGTR-ZDUSSCGKSA-N 1 0 281.312 1.811 20 5 CDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc(N)cc1[N+](=O)[O-] ZINC000804460950 774834307 /nfs/dbraw/zinc/83/43/07/774834307.db2.gz BVAXNQRIGBPVNI-LLVKDONJSA-N 1 0 278.356 1.955 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CC[NH2+][C@H](C)C2)c1 ZINC000122719095 774850241 /nfs/dbraw/zinc/85/02/41/774850241.db2.gz PSFZYXNISMTLLB-SECBINFHSA-N 1 0 251.286 1.402 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1NCC[N@H+]1CC[C@H](O)C1 ZINC000858866736 774855133 /nfs/dbraw/zinc/85/51/33/774855133.db2.gz GEFDRGPORXXYNJ-JTQLQIEISA-N 1 0 285.731 1.727 20 5 CDBDRO CO[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000831533496 774880592 /nfs/dbraw/zinc/88/05/92/774880592.db2.gz IGRASKYJXWYSIA-NILFDRSVSA-N 1 0 294.351 1.985 20 5 CDBDRO C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815578302 775036928 /nfs/dbraw/zinc/03/69/28/775036928.db2.gz LTAFJSBKXYYPRK-LKFCYVNXSA-N 1 0 279.340 1.989 20 5 CDBDRO CN(CC1CC[NH+](C)CC1)c1ccnc(F)c1[N+](=O)[O-] ZINC000881917158 775054763 /nfs/dbraw/zinc/05/47/63/775054763.db2.gz DZADNXJSJGGQMD-UHFFFAOYSA-N 1 0 282.319 1.907 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC2CCC([NH3+])CC2)c1 ZINC000237241763 775095404 /nfs/dbraw/zinc/09/54/04/775095404.db2.gz HBJZOVQUMOLELZ-UHFFFAOYSA-N 1 0 293.323 1.603 20 5 CDBDRO C[C@H]([NH3+])CN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000311000539 775521450 /nfs/dbraw/zinc/52/14/50/775521450.db2.gz JNPSNILAJRIMEW-ZETCQYMHSA-N 1 0 271.704 1.667 20 5 CDBDRO [NH2+]=C(NCCc1cccc([N+](=O)[O-])c1)NC1CCC1 ZINC000849015153 775808904 /nfs/dbraw/zinc/80/89/04/775808904.db2.gz USOHVPDGFVWGNA-UHFFFAOYSA-N 1 0 262.313 1.804 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000237554716 775831824 /nfs/dbraw/zinc/83/18/24/775831824.db2.gz MKNIZXUIJKZSAL-JOYOIKCWSA-N 1 0 292.339 1.519 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000882479328 775862562 /nfs/dbraw/zinc/86/25/62/775862562.db2.gz STYMTLLVEQWZCB-LBPRGKRZSA-N 1 0 263.297 1.419 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818016470 775898338 /nfs/dbraw/zinc/89/83/38/775898338.db2.gz VZWNRNOVCCOGGY-LBPRGKRZSA-N 1 0 281.337 1.624 20 5 CDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(N2CCNC2=O)cc1 ZINC000930814467 775930450 /nfs/dbraw/zinc/93/04/50/775930450.db2.gz ODBZPVVHHFFKQY-SNVBAGLBSA-N 1 0 278.312 1.144 20 5 CDBDRO O=[N+]([O-])CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000930764254 775951519 /nfs/dbraw/zinc/95/15/19/775951519.db2.gz DPWJZRIUNTUAHI-LBPRGKRZSA-N 1 0 254.330 1.544 20 5 CDBDRO COC(=O)N(C)CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873137762 775988488 /nfs/dbraw/zinc/98/84/88/775988488.db2.gz GUEPHSISSGRNLK-UHFFFAOYSA-N 1 0 295.339 1.999 20 5 CDBDRO COCCOCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000312566701 776046057 /nfs/dbraw/zinc/04/60/57/776046057.db2.gz LAGIGGWHFSYDDM-UHFFFAOYSA-N 1 0 286.303 1.829 20 5 CDBDRO Cc1c(C[NH2+]CCN2CCCOCC2)cccc1[N+](=O)[O-] ZINC000877528331 776284735 /nfs/dbraw/zinc/28/47/35/776284735.db2.gz XLIPFQSUQTYNOH-UHFFFAOYSA-N 1 0 293.367 1.715 20 5 CDBDRO Cn1nccc1CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000231033017 776308631 /nfs/dbraw/zinc/30/86/31/776308631.db2.gz QXGWRMSNVFLQCN-UHFFFAOYSA-N 1 0 260.297 1.661 20 5 CDBDRO COc1ccc(Cc2nc(CC[NH3+])no2)cc1[N+](=O)[O-] ZINC000843131596 776313647 /nfs/dbraw/zinc/31/36/47/776313647.db2.gz XNVBWKMONHOKEA-UHFFFAOYSA-N 1 0 278.268 1.078 20 5 CDBDRO C[C@H]([NH2+]C[C@H]1COCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815561844 776344225 /nfs/dbraw/zinc/34/42/25/776344225.db2.gz RAXVJPJRFOKSRM-ONGXEEELSA-N 1 0 281.312 1.243 20 5 CDBDRO C[NH+](C)C[C@@H](O)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000717418369 776374136 /nfs/dbraw/zinc/37/41/36/776374136.db2.gz GLJNDNZTGGPICL-VIFPVBQESA-N 1 0 257.265 1.068 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCOC2)c1 ZINC000819187204 776374548 /nfs/dbraw/zinc/37/45/48/776374548.db2.gz DDMZZSNWTKYJJP-JQWIXIFHSA-N 1 0 252.270 1.007 20 5 CDBDRO C[NH+](C)CCCOC(=O)c1ccc([N+](=O)[O-])cc1N ZINC000787562374 776504964 /nfs/dbraw/zinc/50/49/64/776504964.db2.gz HJUVFPCDQZQTAG-UHFFFAOYSA-N 1 0 267.285 1.286 20 5 CDBDRO CC(=O)NCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001000345716 776660685 /nfs/dbraw/zinc/66/06/85/776660685.db2.gz MVHMDNVKBNGLIK-UHFFFAOYSA-N 1 0 289.335 1.863 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(NC[C@H]3C[NH2+]CCO3)sc2c1 ZINC000842316154 776839436 /nfs/dbraw/zinc/83/94/36/776839436.db2.gz FUBAHYOUSDOVGX-SECBINFHSA-N 1 0 294.336 1.605 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834900309 776848440 /nfs/dbraw/zinc/84/84/40/776848440.db2.gz NSLCASXEIMHCMP-DTWKUNHWSA-N 1 0 280.328 1.352 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841855199 777092824 /nfs/dbraw/zinc/09/28/24/777092824.db2.gz IBMAGDJPTUEXSY-SSDOTTSWSA-N 1 0 286.719 1.395 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815585373 777235493 /nfs/dbraw/zinc/23/54/93/777235493.db2.gz FRZUKMROJVYTRC-JOYOIKCWSA-N 1 0 292.339 1.448 20 5 CDBDRO [NH3+]CCN(Cc1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000809734697 777282863 /nfs/dbraw/zinc/28/28/63/777282863.db2.gz KABVJWTYKGWZGX-UHFFFAOYSA-N 1 0 272.308 1.955 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCC[C@@H]2O)c1 ZINC000872224625 777294777 /nfs/dbraw/zinc/29/47/77/777294777.db2.gz HEBSUVAFJAMLII-AVGNSLFASA-N 1 0 266.297 1.131 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000886232227 777376585 /nfs/dbraw/zinc/37/65/85/777376585.db2.gz SICNTAQZSJVIAF-ZIAGYGMSSA-N 1 0 291.351 1.877 20 5 CDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000825877824 777395557 /nfs/dbraw/zinc/39/55/57/777395557.db2.gz RAKXZKRVUBUMLL-LBPRGKRZSA-N 1 0 285.388 1.813 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCOCC2CC2)c1 ZINC000819040158 777459233 /nfs/dbraw/zinc/45/92/33/777459233.db2.gz JDRISGXLQWBECM-CQSZACIVSA-N 1 0 280.324 1.644 20 5 CDBDRO C[NH2+]C[C@H](C)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000854232536 777508275 /nfs/dbraw/zinc/50/82/75/777508275.db2.gz SEUAIUDDIVUJIQ-DTWKUNHWSA-N 1 0 252.318 1.436 20 5 CDBDRO CC(C)(O)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000879626906 777592017 /nfs/dbraw/zinc/59/20/17/777592017.db2.gz RWGHZHSELSDAMF-UHFFFAOYSA-N 1 0 282.344 1.274 20 5 CDBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000063052577 777686148 /nfs/dbraw/zinc/68/61/48/777686148.db2.gz NCZFXJMVSQNOKT-UHFFFAOYSA-N 1 0 295.314 1.902 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823195348 777747341 /nfs/dbraw/zinc/74/73/41/777747341.db2.gz VKMXOTLXJPMMSP-ZFWWWQNUSA-N 1 0 293.367 1.654 20 5 CDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@]2(C)C1 ZINC000887939044 777805998 /nfs/dbraw/zinc/80/59/98/777805998.db2.gz LUEHHHFDRQEENV-RNCFNFMXSA-N 1 0 279.296 1.212 20 5 CDBDRO O=[N+]([O-])c1cccc(-c2noc(C[C@@H]3COCC[NH2+]3)n2)c1 ZINC000129623696 777843747 /nfs/dbraw/zinc/84/37/47/777843747.db2.gz ZKXICBNHBVOMLN-SNVBAGLBSA-N 1 0 290.279 1.176 20 5 CDBDRO Cc1nn(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c(C)c1[N+](=O)[O-] ZINC000793744454 777870790 /nfs/dbraw/zinc/87/07/90/777870790.db2.gz LTJHWQZKHRWCGC-AWEZNQCLSA-N 1 0 293.371 1.393 20 5 CDBDRO CC(C)(CCC(=O)NCCC[NH+]1CCCC1)[N+](=O)[O-] ZINC000822230011 777889588 /nfs/dbraw/zinc/88/95/88/777889588.db2.gz PGWLDZGMLQDVLM-UHFFFAOYSA-N 1 0 271.361 1.424 20 5 CDBDRO C[C@H](CCO)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000844451298 777999006 /nfs/dbraw/zinc/99/90/06/777999006.db2.gz SHKFKROQZNNEAF-MFKMUULPSA-N 1 0 268.313 1.331 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(Cc2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000886097975 778088481 /nfs/dbraw/zinc/08/84/81/778088481.db2.gz HNDWTHCZYZMFNS-NWDGAFQWSA-N 1 0 278.356 1.904 20 5 CDBDRO COc1cc(NC[C@@H]2CC[N@@H+]2C)c([N+](=O)[O-])cc1OC ZINC000712559468 778114977 /nfs/dbraw/zinc/11/49/77/778114977.db2.gz VCSPFNSNPAPHJT-VIFPVBQESA-N 1 0 281.312 1.728 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1CC[N+](=O)[O-] ZINC000930147304 778322448 /nfs/dbraw/zinc/32/24/48/778322448.db2.gz BWPGIHLTNWYEDD-ZIAGYGMSSA-N 1 0 277.368 1.858 20 5 CDBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000933249360 778342291 /nfs/dbraw/zinc/34/22/91/778342291.db2.gz GFMWFFSOIYZWGV-CYBMUJFWSA-N 1 0 295.387 1.453 20 5 CDBDRO O=[N+]([O-])c1c(NCC[C@@H]2CC[NH2+]C2)nc2sccn21 ZINC000110798950 778516227 /nfs/dbraw/zinc/51/62/27/778516227.db2.gz VVTOESAWXCNSOO-QMMMGPOBSA-N 1 0 281.341 1.716 20 5 CDBDRO Cn1c(C(=O)N[C@H]2CC[NH2+]CC2(C)C)ccc1[N+](=O)[O-] ZINC000261606021 778586737 /nfs/dbraw/zinc/58/67/37/778586737.db2.gz BFCVBOSINNKSRU-JTQLQIEISA-N 1 0 280.328 1.051 20 5 CDBDRO [NH3+]CCCCCc1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000822862006 778606097 /nfs/dbraw/zinc/60/60/97/778606097.db2.gz GLPJWHGNZAXCNM-UHFFFAOYSA-N 1 0 291.311 1.635 20 5 CDBDRO CC(C)(CCC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)[N+](=O)[O-] ZINC000830529131 778664581 /nfs/dbraw/zinc/66/45/81/778664581.db2.gz DGRBCEIWBLBSHA-CYBMUJFWSA-N 1 0 297.399 1.955 20 5 CDBDRO CC(C)([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000786154314 778723486 /nfs/dbraw/zinc/72/34/86/778723486.db2.gz XXSYNQOFPINWNU-UHFFFAOYSA-N 1 0 282.344 1.586 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000886169968 778820751 /nfs/dbraw/zinc/82/07/51/778820751.db2.gz MMDKIZSVHZDHRN-ZYHUDNBSSA-N 1 0 265.313 1.631 20 5 CDBDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000832455404 778821265 /nfs/dbraw/zinc/82/12/65/778821265.db2.gz GNQXYZYGCUQJJI-DGCLKSJQSA-N 1 0 284.287 1.627 20 5 CDBDRO [NH3+]C[C@H]1CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000714065070 778844097 /nfs/dbraw/zinc/84/40/97/778844097.db2.gz VZOSGZUSLOPTDY-SECBINFHSA-N 1 0 281.287 1.545 20 5 CDBDRO CC(C)(C(=O)OCCn1ccc([N+](=O)[O-])n1)[NH+]1CCCC1 ZINC000805615460 778844287 /nfs/dbraw/zinc/84/42/87/778844287.db2.gz VXGKHYPXXCTJLH-UHFFFAOYSA-N 1 0 296.327 1.209 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000886839601 778854388 /nfs/dbraw/zinc/85/43/88/778854388.db2.gz IHDOKRIDDCIFGY-CYBMUJFWSA-N 1 0 262.313 1.318 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH+]2CC3(C2)CCOC3)cc1 ZINC000877555217 778859490 /nfs/dbraw/zinc/85/94/90/778859490.db2.gz UQNZBJGUSDKQKU-UHFFFAOYSA-N 1 0 262.309 1.860 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000818017667 778880327 /nfs/dbraw/zinc/88/03/27/778880327.db2.gz MQUFLJJFOGNIGH-HNNXBMFYSA-N 1 0 289.335 1.871 20 5 CDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000819202169 778899991 /nfs/dbraw/zinc/89/99/91/778899991.db2.gz FUKRONSFCPDEFE-SCDSUCTJSA-N 1 0 280.324 1.785 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CCc3nc[nH]c3C2)cc1 ZINC000859307684 778954518 /nfs/dbraw/zinc/95/45/18/778954518.db2.gz GPHPCWZOHXKEIU-AWEZNQCLSA-N 1 0 288.307 1.410 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000041028751 778997082 /nfs/dbraw/zinc/99/70/82/778997082.db2.gz WBBNDOKAZKYYTH-VIFPVBQESA-N 1 0 264.285 1.550 20 5 CDBDRO O=C(C[NH+]1CCCC1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000874450557 779180029 /nfs/dbraw/zinc/18/00/29/779180029.db2.gz GCARJAUITAIOQR-UHFFFAOYSA-N 1 0 293.323 1.186 20 5 CDBDRO CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001034815944 779227815 /nfs/dbraw/zinc/22/78/15/779227815.db2.gz GYPKMQNYTXHMDV-CHWSQXEVSA-N 1 0 277.324 1.078 20 5 CDBDRO C[C@H](NC1CC1)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000843233032 779236659 /nfs/dbraw/zinc/23/66/59/779236659.db2.gz HAVKKNKTRNXYJA-QMMMGPOBSA-N 1 0 268.317 1.871 20 5 CDBDRO Cn1cncc1Cc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000812812410 779324100 /nfs/dbraw/zinc/32/41/00/779324100.db2.gz GZPOIFUZSRUGAL-UHFFFAOYSA-N 1 0 279.300 1.382 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000822634155 779365641 /nfs/dbraw/zinc/36/56/41/779365641.db2.gz DXIYYGSGASKLDY-NKWVEPMBSA-N 1 0 277.284 1.678 20 5 CDBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CCn1ccc([N+](=O)[O-])n1 ZINC000843360759 779419889 /nfs/dbraw/zinc/41/98/89/779419889.db2.gz IGXSBMATKJQFAW-YOGCLGLASA-N 1 0 279.344 1.136 20 5 CDBDRO Cc1nc([N+](=O)[O-])c(-c2noc(C[NH2+]C(C)C)n2)n1C ZINC000854153914 779437511 /nfs/dbraw/zinc/43/75/11/779437511.db2.gz YELZILHFZMUOGT-UHFFFAOYSA-N 1 0 280.288 1.185 20 5 CDBDRO COc1ccc(CN2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000019230592 779540895 /nfs/dbraw/zinc/54/08/95/779540895.db2.gz NMUKXGYOWDKCIS-UHFFFAOYSA-N 1 0 265.313 1.399 20 5 CDBDRO C[NH+]1CCC(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000047837390 779586918 /nfs/dbraw/zinc/58/69/18/779586918.db2.gz RDUVEZBWYIREAY-UHFFFAOYSA-N 1 0 278.312 1.001 20 5 CDBDRO C[N@@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1(C)C ZINC000848034814 779638355 /nfs/dbraw/zinc/63/83/55/779638355.db2.gz CDPYBIICYAXRPH-UHFFFAOYSA-N 1 0 271.361 1.375 20 5 CDBDRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873130981 779669100 /nfs/dbraw/zinc/66/91/00/779669100.db2.gz NEFYZLSWJCXZTI-TZMCWYRMSA-N 1 0 282.340 1.515 20 5 CDBDRO C[C@@H]([NH2+]CCC1(C)OCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788736463 779739605 /nfs/dbraw/zinc/73/96/05/779739605.db2.gz GDSMBVHRGPCINI-SNVBAGLBSA-N 1 0 295.339 1.981 20 5 CDBDRO Cc1c(NC(=O)CO[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000843359737 779801698 /nfs/dbraw/zinc/80/16/98/779801698.db2.gz XMDDGGXKWTVINN-LLVKDONJSA-N 1 0 293.323 1.610 20 5 CDBDRO CON(C)CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866386479 779810829 /nfs/dbraw/zinc/81/08/29/779810829.db2.gz BHWZHIKUIGBNQY-SNVBAGLBSA-N 1 0 285.319 1.748 20 5 CDBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1C[C@@H](O)C1 ZINC000703696920 779826981 /nfs/dbraw/zinc/82/69/81/779826981.db2.gz PIZBVPYIOURLND-PHIMTYICSA-N 1 0 268.288 1.937 20 5 CDBDRO CCN(CC)C(=O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815566387 779877460 /nfs/dbraw/zinc/87/74/60/779877460.db2.gz RXHXSQOAQPSOSG-JTQLQIEISA-N 1 0 294.355 1.696 20 5 CDBDRO CC[C@H](C)[N@H+](CCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000805792464 779886078 /nfs/dbraw/zinc/88/60/78/779886078.db2.gz UZAHNCMOBOLLSP-SMDDNHRTSA-N 1 0 282.340 1.721 20 5 CDBDRO CC[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000886838494 779935378 /nfs/dbraw/zinc/93/53/78/779935378.db2.gz YSJIHHAIOHBXOX-CMPLNLGQSA-N 1 0 264.329 1.549 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823938682 780015866 /nfs/dbraw/zinc/01/58/66/780015866.db2.gz MAMFDHORKRKHLA-QMMMGPOBSA-N 1 0 281.316 1.249 20 5 CDBDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886277621 780081223 /nfs/dbraw/zinc/08/12/23/780081223.db2.gz WVYMVFYUKXENLI-AAEUAGOBSA-N 1 0 279.340 1.973 20 5 CDBDRO CC[C@H](O)CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000135046934 780114973 /nfs/dbraw/zinc/11/49/73/780114973.db2.gz OIAWSSZNVJFCNP-STQMWFEESA-N 1 0 268.313 1.379 20 5 CDBDRO [NH3+]C1(Cc2nc(Cc3ccccc3[N+](=O)[O-])no2)CCC1 ZINC000843170583 780138988 /nfs/dbraw/zinc/13/89/88/780138988.db2.gz FSZPKCOISDLKCM-UHFFFAOYSA-N 1 0 288.307 1.993 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1COCCN1C ZINC001173232633 912326697 /nfs/dbraw/zinc/32/66/97/912326697.db2.gz FCVGBTQRICEJSM-WFASDCNBSA-N 1 0 293.367 1.446 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC001173211194 912333039 /nfs/dbraw/zinc/33/30/39/912333039.db2.gz QYUXJLOUSRZEGP-JQWIXIFHSA-N 1 0 298.364 1.303 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](C[NH3+])C1 ZINC001173214162 912336582 /nfs/dbraw/zinc/33/65/82/912336582.db2.gz MLCOTAHEJSWUQQ-RISCZKNCSA-N 1 0 279.340 1.185 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2cc(F)c([N+](=O)[O-])c(F)c2)C1 ZINC001233750809 913022088 /nfs/dbraw/zinc/02/20/88/913022088.db2.gz OJTCTRBNPDTTPX-SSDOTTSWSA-N 1 0 258.224 1.956 20 5 CDBDRO C/C=C(/C)C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001125437683 895487217 /nfs/dbraw/zinc/48/72/17/895487217.db2.gz KPQWEMOAWZFPSV-OQFOIZHKSA-N 1 0 283.353 1.828 20 5 CDBDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000699781521 914248986 /nfs/dbraw/zinc/24/89/86/914248986.db2.gz UBLXWMKLKPBZEE-KCJUWKMLSA-N 1 0 254.261 1.858 20 5 CDBDRO C[NH+](C)CCO[C@@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001206286715 914315137 /nfs/dbraw/zinc/31/51/37/914315137.db2.gz NNKSMZZORKJIIP-ZDUSSCGKSA-N 1 0 282.296 1.311 20 5 CDBDRO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCO1 ZINC001161697040 905512622 /nfs/dbraw/zinc/51/26/22/905512622.db2.gz WPZRZGQWXZRELT-WCBMZHEXSA-N 1 0 293.327 1.051 20 5 CDBDRO CCC1(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCC1 ZINC001161563287 907478603 /nfs/dbraw/zinc/47/86/03/907478603.db2.gz XMIZVUOGZCUYFM-UHFFFAOYSA-N 1 0 277.328 1.816 20 5 CDBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1ncc([N+](=O)[O-])cn1 ZINC001171390578 909577392 /nfs/dbraw/zinc/57/73/92/909577392.db2.gz XCDAKJIWAOWDAE-SECBINFHSA-N 1 0 287.279 1.243 20 5 CDBDRO O=C1C[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CO1 ZINC001172901412 912038742 /nfs/dbraw/zinc/03/87/42/912038742.db2.gz MXIONJVGDAEGOG-OLZOCXBDSA-N 1 0 290.319 1.747 20 5 CDBDRO CCC1(Nc2cc(F)c(OC)c([N+](=O)[O-])c2)C[NH2+]C1 ZINC001168583247 919290993 /nfs/dbraw/zinc/29/09/93/919290993.db2.gz JWLBITZVVSJAMJ-UHFFFAOYSA-N 1 0 269.276 1.906 20 5 CDBDRO COc1ncc([N+](=O)[O-])c(N[C@H]2CCCC[C@@H]2[NH+](C)C)n1 ZINC001168592875 919362915 /nfs/dbraw/zinc/36/29/15/919362915.db2.gz APACXJGAKCOHOU-UWVGGRQHSA-N 1 0 295.343 1.678 20 5 CDBDRO [NH3+][C@H]1CC[C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000710835541 923250522 /nfs/dbraw/zinc/25/05/22/923250522.db2.gz RIMWBPZXUBVJEU-HAQNSBGRSA-N 1 0 277.324 1.729 20 5 CDBDRO COc1cc(C)nc(N2CCC(F)(C[NH3+])CC2)c1[N+](=O)[O-] ZINC001165263245 925010853 /nfs/dbraw/zinc/01/08/53/925010853.db2.gz UHZMSKIHUUSEMG-UHFFFAOYSA-N 1 0 298.318 1.574 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc(CC[NH3+])no1 ZINC000843132413 937116424 /nfs/dbraw/zinc/11/64/24/937116424.db2.gz XFLNZGGJPWLUFV-UHFFFAOYSA-N 1 0 262.269 1.763 20 5 CDBDRO COc1cc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)cnc1[N+](=O)[O-] ZINC001168820594 927471776 /nfs/dbraw/zinc/47/17/76/927471776.db2.gz JZVOMHPLJREMOI-SECBINFHSA-N 1 0 289.295 1.000 20 5 CDBDRO COc1cc(C)c([N+](=O)[O-])cc1-n1cc(CC[NH3+])cn1 ZINC001168949630 927556801 /nfs/dbraw/zinc/55/68/01/927556801.db2.gz NTXBFEOMNNIMFD-UHFFFAOYSA-N 1 0 276.296 1.599 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)nn1 ZINC001168976603 927563125 /nfs/dbraw/zinc/56/31/25/927563125.db2.gz DTFSFHGRVSCLEP-ZJUUUORDSA-N 1 0 266.301 1.020 20 5 CDBDRO [NH3+]CCN(c1cccnc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168976998 927563174 /nfs/dbraw/zinc/56/31/74/927563174.db2.gz GRJKQYRXMCZKNL-NWDGAFQWSA-N 1 0 264.329 1.292 20 5 CDBDRO Cc1c(CC[NH3+])c(=O)[nH]n1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168984360 927573209 /nfs/dbraw/zinc/57/32/09/927573209.db2.gz MJXJOKBQBVBIAU-VHSXEESVSA-N 1 0 268.317 1.016 20 5 CDBDRO COC(=O)c1cncc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168985437 927575148 /nfs/dbraw/zinc/57/51/48/927575148.db2.gz FGCBCOHXVFYXEH-MFKMUULPSA-N 1 0 293.323 1.403 20 5 CDBDRO O=C1CCCCN1CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168959160 927579780 /nfs/dbraw/zinc/57/97/80/927579780.db2.gz UHDYXDAUHQEWSX-VXGBXAGGSA-N 1 0 269.345 1.034 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)C1 ZINC001168963041 927584054 /nfs/dbraw/zinc/58/40/54/927584054.db2.gz NNQGDZQAJXECIF-QWHCGFSZSA-N 1 0 292.335 1.993 20 5 CDBDRO CCOC(=O)CC(C)(C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168962853 927585331 /nfs/dbraw/zinc/58/53/31/927585331.db2.gz NEWHSIVYGRGULF-QWRGUYRKSA-N 1 0 272.345 1.753 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccncc2F)C1 ZINC001168970194 927594994 /nfs/dbraw/zinc/59/49/94/927594994.db2.gz GUZBVKRFJXVWPS-GXSJLCMTSA-N 1 0 253.277 1.756 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(C3CCOCC3)CC2)C1 ZINC001168974395 927596868 /nfs/dbraw/zinc/59/68/68/927596868.db2.gz QCYFEIKNOZTSGN-AAEUAGOBSA-N 1 0 268.357 1.981 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H](CO)c2ccccc2)C1 ZINC001169001225 927605102 /nfs/dbraw/zinc/60/51/02/927605102.db2.gz DRVFTEKEHKWACC-VHDGCEQUSA-N 1 0 278.352 1.798 20 5 CDBDRO C[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCC1=O ZINC001169006741 927612395 /nfs/dbraw/zinc/61/23/95/927612395.db2.gz JFWTZBWIPKLVRN-UTUOFQBUSA-N 1 0 254.330 1.733 20 5 CDBDRO COC(=O)[C@]1(F)CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169009848 927613822 /nfs/dbraw/zinc/61/38/22/927613822.db2.gz YOXYHRPTZIKUIG-FOGDFJRCSA-N 1 0 274.292 1.019 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(N3CCOCC3)CC2)C1 ZINC001169008728 927615016 /nfs/dbraw/zinc/61/50/16/927615016.db2.gz UJXLOIZOOJXWAZ-DZGCQCFKSA-N 1 0 297.399 1.228 20 5 CDBDRO O=C1N[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc21 ZINC001168987018 927623111 /nfs/dbraw/zinc/62/31/11/927623111.db2.gz HDUVQZWKKWPFLF-CWSCBRNRSA-N 1 0 275.308 1.464 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3nccnc32)C1 ZINC001168990008 927629013 /nfs/dbraw/zinc/62/90/13/927629013.db2.gz ALYUBDYGKTXLBN-WZRBSPASSA-N 1 0 276.340 1.889 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](N3CCCCC3)C2)C1 ZINC001169027875 927632705 /nfs/dbraw/zinc/63/27/05/927632705.db2.gz RKBMBKTZWCEEKM-ILXRZTDVSA-N 1 0 281.400 1.992 20 5 CDBDRO COC(=O)[C@]1(C)CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169034238 927640668 /nfs/dbraw/zinc/64/06/68/927640668.db2.gz GHFDXUOJYCXTLA-YRGRVCCFSA-N 1 0 284.356 1.707 20 5 CDBDRO Cn1ncc2c1C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169035499 927644122 /nfs/dbraw/zinc/64/41/22/927644122.db2.gz BOEFXKKMPCCNDV-CMPLNLGQSA-N 1 0 264.329 1.224 20 5 CDBDRO C[C@@H]1CO[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]12 ZINC001169035838 927645100 /nfs/dbraw/zinc/64/51/00/927645100.db2.gz DAKIPXPBZNLSLP-UJPOAAIJSA-N 1 0 254.330 1.399 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCN3CC(F)(F)C[C@H]3C2)C1 ZINC001169037051 927646807 /nfs/dbraw/zinc/64/68/07/927646807.db2.gz IDQHMOIOSRAXHB-TUAOUCFPSA-N 1 0 289.326 1.457 20 5 CDBDRO CN1CC[C@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169038618 927650097 /nfs/dbraw/zinc/65/00/97/927650097.db2.gz JJCYJMOHTPZEIR-WUHRBBMRSA-N 1 0 253.346 1.068 20 5 CDBDRO CC[C@@]12C[C@@H](CO1)[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169039016 927650431 /nfs/dbraw/zinc/65/04/31/927650431.db2.gz MJYKBFDKVQOIHH-CYDGBPFRSA-N 1 0 254.330 1.685 20 5 CDBDRO COCc1nn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2c1C[NH2+]C2 ZINC001169022758 927662213 /nfs/dbraw/zinc/66/22/13/927662213.db2.gz SMHIUNJJLIVLFV-VHSXEESVSA-N 1 0 280.328 1.251 20 5 CDBDRO CCOC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169026107 927666231 /nfs/dbraw/zinc/66/62/31/927666231.db2.gz KTABUMNIYRVTTI-NEPJUHHUSA-N 1 0 256.346 1.933 20 5 CDBDRO CC(=O)N1CC[C@H]([N@H+](C(C)C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169047021 927666785 /nfs/dbraw/zinc/66/67/85/927666785.db2.gz PTUBYXZWCLNROI-ILXRZTDVSA-N 1 0 297.399 1.763 20 5 CDBDRO CN1C(=O)CCC12CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169055815 927673407 /nfs/dbraw/zinc/67/34/07/927673407.db2.gz QNMKGZCNFADUPV-CHWSQXEVSA-N 1 0 295.383 1.519 20 5 CDBDRO O=C1CCC2(CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)N1 ZINC001169057429 927674535 /nfs/dbraw/zinc/67/45/35/927674535.db2.gz VFVYEQVOZSLBGD-VXGBXAGGSA-N 1 0 281.356 1.176 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1NCc1ncccc1O)C[NH2+]C2 ZINC001169731647 928392228 /nfs/dbraw/zinc/39/22/28/928392228.db2.gz DJHXUNZTOHVEDM-UHFFFAOYSA-N 1 0 286.291 1.911 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH2+]C[C@@H]2CO)cc2cc[nH]c21 ZINC001170777422 929944132 /nfs/dbraw/zinc/94/41/32/929944132.db2.gz CHKGJAYIESXHMN-KOLCDFICSA-N 1 0 276.296 1.068 20 5 CDBDRO O=[N+]([O-])c1c(N[C@H]2C[NH2+]C[C@H]2CO)ccc2ncccc21 ZINC001170779996 929963223 /nfs/dbraw/zinc/96/32/23/929963223.db2.gz FDCWQSISJNCXBQ-ZANVPECISA-N 1 0 288.307 1.135 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1ccc(N(C)C)cc1[N+](=O)[O-] ZINC001170864223 930520671 /nfs/dbraw/zinc/52/06/71/930520671.db2.gz RXEJKDYAQMODDG-LBPRGKRZSA-N 1 0 268.317 1.130 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])c(NCC[C@@H](C)[NH3+])cc1OC ZINC001170890700 930682810 /nfs/dbraw/zinc/68/28/10/930682810.db2.gz NVGSKWKQAYGTCC-MRVPVSSYSA-N 1 0 297.311 1.539 20 5 CDBDRO CSc1nc(Cl)nc(NCC(C)(C)[NH3+])c1[N+](=O)[O-] ZINC001160032321 931151372 /nfs/dbraw/zinc/15/13/72/931151372.db2.gz PLIAHZAIZOPDSN-UHFFFAOYSA-N 1 0 291.764 1.909 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001118032670 937583349 /nfs/dbraw/zinc/58/33/49/937583349.db2.gz UKSWIHQIJYSTPL-NSHDSACASA-N 1 0 294.355 1.734 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)CCO)c1F ZINC001246912303 932423459 /nfs/dbraw/zinc/42/34/59/932423459.db2.gz KJJRCYIMCSGFSY-VIFPVBQESA-N 1 0 286.303 1.598 20 5 CDBDRO Nc1cc(N[C@H]2CCC[C@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC001154987491 937616797 /nfs/dbraw/zinc/61/67/97/937616797.db2.gz XUAVDZXFCDKPGB-YUMQZZPRSA-N 1 0 251.290 1.254 20 5 CDBDRO COC(=O)c1ncc([N+](=O)[O-])cc1NC[C@@H]1CCCC[NH2+]1 ZINC001171337836 932787585 /nfs/dbraw/zinc/78/75/85/932787585.db2.gz BDVHIVIDKGBXEJ-VIFPVBQESA-N 1 0 294.311 1.330 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NCC[C@@H](C)[NH+](C)C ZINC001118600387 937645788 /nfs/dbraw/zinc/64/57/88/937645788.db2.gz IEJAMDNUBLPLJE-SNVBAGLBSA-N 1 0 252.318 1.472 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@@H](C)C[NH+](C)C)n1 ZINC001155914006 937688121 /nfs/dbraw/zinc/68/81/21/937688121.db2.gz FJCBEBIZKBORHE-LURJTMIESA-N 1 0 273.724 1.709 20 5 CDBDRO O=[N+]([O-])c1ncccc1Cn1cc(C[NH2+]CC2CC2)nn1 ZINC001119378456 937714495 /nfs/dbraw/zinc/71/44/95/937714495.db2.gz GGFXBCWDSDJNSM-UHFFFAOYSA-N 1 0 288.311 1.129 20 5 CDBDRO C[C@@H](CC[NH+](C)C)Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001120889309 937844777 /nfs/dbraw/zinc/84/47/77/937844777.db2.gz LRSIABSAOWZMTM-QMMMGPOBSA-N 1 0 253.306 1.324 20 5 CDBDRO CCN(CC[NH3+])C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001122087592 937904525 /nfs/dbraw/zinc/90/45/25/937904525.db2.gz OGWSJZKNQSGXET-CHWSQXEVSA-N 1 0 277.324 1.506 20 5 CDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(F)F ZINC001122372402 937926260 /nfs/dbraw/zinc/92/62/60/937926260.db2.gz GLGWXVQXDSLEHB-UHFFFAOYSA-N 1 0 273.239 1.066 20 5 CDBDRO O=C(CC1CC1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001122532970 937940190 /nfs/dbraw/zinc/94/01/90/937940190.db2.gz UIIULGXQVXUVOZ-UHFFFAOYSA-N 1 0 277.324 1.601 20 5 CDBDRO CN(c1ncc([N+](=O)[O-])cc1F)[C@@]1(C)CCC[NH2+]C1 ZINC001156957694 938438918 /nfs/dbraw/zinc/43/89/18/938438918.db2.gz YCXCDDVDLOYYSZ-LBPRGKRZSA-N 1 0 268.292 1.707 20 5 CDBDRO CN(c1ccc([N+](=O)[O-])c(N)n1)[C@]1(C)CCC[NH2+]C1 ZINC001156968410 938440050 /nfs/dbraw/zinc/44/00/50/938440050.db2.gz RPSVTKIRYOZFPX-GFCCVEGCSA-N 1 0 265.317 1.150 20 5 CDBDRO CN(c1ccc([N+](=O)[O-])c(N)n1)[C@@]1(C)CCC[NH2+]C1 ZINC001156968411 938440074 /nfs/dbraw/zinc/44/00/74/938440074.db2.gz RPSVTKIRYOZFPX-LBPRGKRZSA-N 1 0 265.317 1.150 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)C[C@H]21 ZINC001157263353 938470728 /nfs/dbraw/zinc/47/07/28/938470728.db2.gz AOGXRSFPPHCAPB-BXKDBHETSA-N 1 0 277.328 1.102 20 5 CDBDRO O=[N+]([O-])c1cnc(-n2ccc3c2CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001157444403 938492574 /nfs/dbraw/zinc/49/25/74/938492574.db2.gz NUDVPMFURRZRJB-UHFFFAOYSA-N 1 0 289.251 1.334 20 5 CDBDRO CCC[NH+]1C[C@H]2CN(c3cccc([N+](=O)[O-])n3)C[C@@H]2C1 ZINC001157692936 938533252 /nfs/dbraw/zinc/53/32/52/938533252.db2.gz ZQNPKVWNMXMFGP-RYUDHWBXSA-N 1 0 276.340 1.768 20 5 CDBDRO [NH3+]C[C@@]1(F)CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001157812730 938550138 /nfs/dbraw/zinc/55/01/38/938550138.db2.gz GYYDULRMJSLEMT-ZDUSSCGKSA-N 1 0 291.286 1.415 20 5 CDBDRO [NH3+][C@H]1CCc2nn(-c3nccc(Cl)c3[N+](=O)[O-])cc2C1 ZINC001157980436 938570937 /nfs/dbraw/zinc/57/09/37/938570937.db2.gz VVKSBCCVMGRJPC-QMMMGPOBSA-N 1 0 293.714 1.645 20 5 CDBDRO [NH3+][C@@H]1CCc2nn(-c3ccc4[nH]cc([N+](=O)[O-])c4n3)cc2C1 ZINC001157989974 938572680 /nfs/dbraw/zinc/57/26/80/938572680.db2.gz RFNRSMWEMJORQV-SECBINFHSA-N 1 0 298.306 1.473 20 5 CDBDRO Cc1cnc(N(C(C)C)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001158021472 938575756 /nfs/dbraw/zinc/57/57/56/938575756.db2.gz KANBXXZFDROOOJ-NSHDSACASA-N 1 0 264.329 1.875 20 5 CDBDRO C[C@@H]1CN(c2cc(Cl)ncc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001158175058 938590604 /nfs/dbraw/zinc/59/06/04/938590604.db2.gz BFWFMESFYWTVHB-OCAPTIKFSA-N 1 0 270.720 1.830 20 5 CDBDRO O=[N+]([O-])c1ccc2ccnc(N[C@@H]3C[NH2+]C[C@@H]3CO)c2c1 ZINC001159683317 938745330 /nfs/dbraw/zinc/74/53/30/938745330.db2.gz VBGVMBGNDWSLNE-ZWNOBZJWSA-N 1 0 288.307 1.135 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1-n1c(C[NH3+])cc2ccncc21 ZINC001160963576 938851346 /nfs/dbraw/zinc/85/13/46/938851346.db2.gz UXYMVGOWOKNWNJ-UHFFFAOYSA-N 1 0 284.279 1.370 20 5 CDBDRO [NH3+]C/C=C/CNc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001160977480 938853805 /nfs/dbraw/zinc/85/38/05/938853805.db2.gz YKHZMVWHRYPCBP-OWOJBTEDSA-N 1 0 259.269 1.465 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(N[C@@H](C)CN2CC[NH2+]CC2)c1F ZINC001162098872 938956015 /nfs/dbraw/zinc/95/60/15/938956015.db2.gz YTWUXWFGXMHVKE-NSHDSACASA-N 1 0 296.346 1.748 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001162404955 939046794 /nfs/dbraw/zinc/04/67/94/939046794.db2.gz RUIQLEMNFGEFSK-BDAKNGLRSA-N 1 0 294.311 1.458 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1NC[C@]1(F)CCCC[NH2+]C1 ZINC001162579691 939091704 /nfs/dbraw/zinc/09/17/04/939091704.db2.gz HGXISYIUJIKGOO-ZDUSSCGKSA-N 1 0 298.318 1.892 20 5 CDBDRO [NH3+]Cc1ccnn1-c1c(Cl)nccc1[N+](=O)[O-] ZINC001162591046 939095947 /nfs/dbraw/zinc/09/59/47/939095947.db2.gz LMJJAXVHFUKPRP-UHFFFAOYSA-N 1 0 253.649 1.288 20 5 CDBDRO COc1cc(C)nc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)c1[N+](=O)[O-] ZINC001162794791 939142274 /nfs/dbraw/zinc/14/22/74/939142274.db2.gz RSOGMTWQHDLJNS-GMTAPVOTSA-N 1 0 290.323 1.493 20 5 CDBDRO [NH3+][C@H]1Cc2ccccc2N(c2nccnc2[N+](=O)[O-])C1 ZINC001162841435 939150775 /nfs/dbraw/zinc/15/07/75/939150775.db2.gz IBHLJGDRRKRYLZ-JTQLQIEISA-N 1 0 271.280 1.406 20 5 CDBDRO COC(=O)[C@@H](Nc1cc([N+](=O)[O-])cc(F)c1C)C(C)(C)[NH3+] ZINC001162955623 939165592 /nfs/dbraw/zinc/16/55/92/939165592.db2.gz HPDWNDXCYNGIDU-LLVKDONJSA-N 1 0 299.302 1.733 20 5 CDBDRO Cc1c[n+]([O-])c(N[C@@]23CCC[C@@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC001162978055 939167702 /nfs/dbraw/zinc/16/77/02/939167702.db2.gz MPFZSDRZRMXSKX-WCQYABFASA-N 1 0 278.312 1.233 20 5 CDBDRO COc1cccc(NC[C@]23C[NH2+]C[C@H]2COC3)c1[N+](=O)[O-] ZINC001163154376 939215154 /nfs/dbraw/zinc/21/51/54/939215154.db2.gz LKACYCKODSERDR-HZMBPMFUSA-N 1 0 293.323 1.251 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(NC[C@@]23C[NH2+][C@@H](CO2)C3)c1F ZINC001163202976 939224988 /nfs/dbraw/zinc/22/49/88/939224988.db2.gz FQQJTRHZAXQHAM-NOZJJQNGSA-N 1 0 281.287 1.585 20 5 CDBDRO C[NH2+]CCN(C)c1nc(Cl)nc(C)c1[N+](=O)[O-] ZINC001163718510 939313891 /nfs/dbraw/zinc/31/38/91/939313891.db2.gz WVIUZMGKIHQVDB-UHFFFAOYSA-N 1 0 259.697 1.002 20 5 CDBDRO CC(C)(C)C(=O)CNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001164002672 939379706 /nfs/dbraw/zinc/37/97/06/939379706.db2.gz GJHUVGIEOANPAZ-UHFFFAOYSA-N 1 0 293.327 1.099 20 5 CDBDRO CC(=O)Nc1ccc(N2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001164286669 939447061 /nfs/dbraw/zinc/44/70/61/939447061.db2.gz VICQXEKPUIBZPA-SECBINFHSA-N 1 0 264.285 1.091 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]3C[NH+](C)C[C@@H]3C2)n1 ZINC001165149297 939519220 /nfs/dbraw/zinc/51/92/20/939519220.db2.gz OLYJTMMEMOTDKG-RKDXNWHRSA-N 1 0 297.746 1.344 20 5 CDBDRO C[N@@H+]1CCC[C@H](CCNc2c(F)c([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001165262603 939536425 /nfs/dbraw/zinc/53/64/25/939536425.db2.gz YCIKBVFUNVNUCX-SNVBAGLBSA-N 1 0 298.318 1.511 20 5 CDBDRO [NH3+][C@]12C[C@H]1CN(c1ccc3cccc([N+](=O)[O-])c3n1)C2 ZINC001165313478 939544259 /nfs/dbraw/zinc/54/42/59/939544259.db2.gz GNAVTLVRRFQBSA-HZMBPMFUSA-N 1 0 270.292 1.680 20 5 CDBDRO O=[N+]([O-])c1cc(N2CCC[C@@H]3[NH2+]C[C@@H]32)nc2[nH]ccc21 ZINC001165394799 939558299 /nfs/dbraw/zinc/55/82/99/939558299.db2.gz RFQUWFKTSJHRCS-ONGXEEELSA-N 1 0 273.296 1.412 20 5 CDBDRO CCOc1nc(N2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC001166664556 939624547 /nfs/dbraw/zinc/62/45/47/939624547.db2.gz SATCQXPRHIZPIB-UHFFFAOYSA-N 1 0 266.301 1.316 20 5 CDBDRO [NH3+]C[C@H]1CN(c2ccc3c(cccc3[N+](=O)[O-])n2)CCO1 ZINC001166940777 939654524 /nfs/dbraw/zinc/65/45/24/939654524.db2.gz OZGHKKRCUYMFLC-JTQLQIEISA-N 1 0 288.307 1.307 20 5 CDBDRO COc1ncc(-n2c(N)[nH+]c3ccccc32)cc1[N+](=O)[O-] ZINC001210134128 940665130 /nfs/dbraw/zinc/66/51/30/940665130.db2.gz FXRXWRCVTVWKRB-UHFFFAOYSA-N 1 0 285.263 1.920 20 5 CDBDRO CC1(C)C[NH2+]CC[C@H]1Oc1ccc(N)c([N+](=O)[O-])c1 ZINC001218317054 941053049 /nfs/dbraw/zinc/05/30/49/941053049.db2.gz KRUFKBCVFSFPMV-GFCCVEGCSA-N 1 0 265.313 1.944 20 5 CDBDRO C=Cc1ccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001223152475 941661422 /nfs/dbraw/zinc/66/14/22/941661422.db2.gz ZGTYAVNCYNATQH-OAHLLOKOSA-N 1 0 278.372 1.830 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](OCc2ccc([N+](=O)[O-])nc2)C1 ZINC001224115922 941722338 /nfs/dbraw/zinc/72/23/38/941722338.db2.gz WSNSESVXKVGWLY-GFCCVEGCSA-N 1 0 265.313 1.991 20 5 CDBDRO CC1CCC(COC(=O)C[C@@H](O)C[N+](C)(C)C)CC1 ZINC001224314851 941742639 /nfs/dbraw/zinc/74/26/39/941742639.db2.gz QHPSEPOSEMQKLD-JXQTWKCFSA-N 1 0 272.409 1.813 20 5 CDBDRO C[NH+]1CCC(CO[C@@H](C[N+](=O)[O-])c2cccnc2)CC1 ZINC001224451901 941755806 /nfs/dbraw/zinc/75/58/06/941755806.db2.gz BXXLOBZRRSPQLM-AWEZNQCLSA-N 1 0 279.340 1.758 20 5 CDBDRO C[N@@H+]1CC[C@H](OCC(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224987601 941811484 /nfs/dbraw/zinc/81/14/84/941811484.db2.gz SJSGGPGDYGMYHP-ZDUSSCGKSA-N 1 0 294.307 1.359 20 5 CDBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)cc2c1NC(=O)C2 ZINC001225414247 941855455 /nfs/dbraw/zinc/85/54/55/941855455.db2.gz WVPYJCQTTVKKCC-NSHDSACASA-O 1 0 263.361 1.963 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(S(C)(=O)=O)cc1 ZINC001225983467 941937430 /nfs/dbraw/zinc/93/74/30/941937430.db2.gz MMXXBKLVHCIUEE-LLVKDONJSA-N 1 0 272.390 1.564 20 5 CDBDRO CCOC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)nc1 ZINC001226699254 942052128 /nfs/dbraw/zinc/05/21/28/942052128.db2.gz PHCOTLPLZMMBBU-LLVKDONJSA-N 1 0 267.349 1.732 20 5 CDBDRO O=[N+]([O-])c1cncc(OC2CC[NH+](C3CC3)CC2)c1 ZINC001227987928 942252173 /nfs/dbraw/zinc/25/21/73/942252173.db2.gz MQWKGKUXFWIOIH-UHFFFAOYSA-N 1 0 263.297 1.995 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(C)n2)C1 ZINC001330690212 942375259 /nfs/dbraw/zinc/37/52/59/942375259.db2.gz UVMDBQAVLHXLAC-SNVBAGLBSA-N 1 0 265.317 1.589 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2c1C(=O)CC2 ZINC001228837440 942382250 /nfs/dbraw/zinc/38/22/50/942382250.db2.gz KIIXYQWVXHXMHP-GFCCVEGCSA-N 1 0 292.355 1.178 20 5 CDBDRO C[C@@H](C[NH+](C)C)Oc1n[nH]c(=O)c2cccc([N+](=O)[O-])c21 ZINC001229367396 942459447 /nfs/dbraw/zinc/45/94/47/942459447.db2.gz LNJIWVPGJJEFCV-QMMMGPOBSA-N 1 0 292.295 1.573 20 5 CDBDRO C[NH+]1CCC(Oc2cc3n[nH]cc3cc2[N+](=O)[O-])CC1 ZINC001230593791 942651683 /nfs/dbraw/zinc/65/16/83/942651683.db2.gz BEAZXEVFZJWQQQ-UHFFFAOYSA-N 1 0 276.296 1.944 20 5 CDBDRO CN1CCO[C@H](COc2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001230915548 942733906 /nfs/dbraw/zinc/73/39/06/942733906.db2.gz QXVTZTIVONOYME-VIFPVBQESA-N 1 0 286.715 1.958 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001233702694 943643531 /nfs/dbraw/zinc/64/35/31/943643531.db2.gz PCWQGQAZZJJQLJ-JTQLQIEISA-N 1 0 281.268 1.976 20 5 CDBDRO CS[C@@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)C[C@@H]1[NH+](C)C ZINC001262688988 943670142 /nfs/dbraw/zinc/67/01/42/943670142.db2.gz KRAALCPVDHWWME-WDEREUQCSA-N 1 0 297.384 1.054 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(O)CC1 ZINC001254550089 947521653 /nfs/dbraw/zinc/52/16/53/947521653.db2.gz CNPBUOPDLSAPAK-LLVKDONJSA-N 1 0 264.325 1.983 20 5 CDBDRO CC(=O)OCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254549589 947523011 /nfs/dbraw/zinc/52/30/11/947523011.db2.gz UDDUWRIPXBQYBF-SNVBAGLBSA-N 1 0 266.297 1.679 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCCO1)C2 ZINC001254570672 947529525 /nfs/dbraw/zinc/52/95/25/947529525.db2.gz PMXCBISOGLGMCO-OCCSQVGLSA-N 1 0 262.309 1.831 20 5 CDBDRO O=C1NCCCC[C@@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254568833 947530554 /nfs/dbraw/zinc/53/05/54/947530554.db2.gz UUYBJYDETANAGI-OCCSQVGLSA-N 1 0 289.335 1.320 20 5 CDBDRO Cn1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1=O ZINC001254573755 947532811 /nfs/dbraw/zinc/53/28/11/947532811.db2.gz BXJSFZZYEHLYAA-AWEZNQCLSA-N 1 0 299.330 1.551 20 5 CDBDRO CC(=O)NC[C@@H](C)C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254578154 947535693 /nfs/dbraw/zinc/53/56/93/947535693.db2.gz AQYXLLWYTVTNNP-YGRLFVJLSA-N 1 0 291.351 1.424 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cccnn1)C2 ZINC001254580276 947536992 /nfs/dbraw/zinc/53/69/92/947536992.db2.gz BWFHRDMDECGLRM-ZDUSSCGKSA-N 1 0 270.292 1.642 20 5 CDBDRO [NH3+]CCc1ccn([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254580297 947538484 /nfs/dbraw/zinc/53/84/84/947538484.db2.gz CHYBYDZZGQIYBM-AWEZNQCLSA-N 1 0 272.308 1.632 20 5 CDBDRO C[C@@]1(O)COCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254592072 947541953 /nfs/dbraw/zinc/54/19/53/947541953.db2.gz AERVCTRNOBYLDK-CABCVRRESA-N 1 0 292.335 1.145 20 5 CDBDRO C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)[NH2+]C1 ZINC001246106491 947957354 /nfs/dbraw/zinc/95/73/54/947957354.db2.gz QCYJPAKSNRCRQV-MROQNXINSA-N 1 0 255.362 1.410 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246633387 948369787 /nfs/dbraw/zinc/36/97/87/948369787.db2.gz DLTMCNSZPOBGIO-UXIGCNINSA-N 1 0 275.352 1.962 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N(C1CC1)C1C[NH2+]C1 ZINC001246861749 948487758 /nfs/dbraw/zinc/48/77/58/948487758.db2.gz DENYKPIIKMKJSX-NSHDSACASA-N 1 0 275.352 1.962 20 5 CDBDRO C[C@H]([NH3+])CN(C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001246979878 948558021 /nfs/dbraw/zinc/55/80/21/948558021.db2.gz FIZGMPGWKPNREH-QWRGUYRKSA-N 1 0 251.330 1.805 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[C@@H]3[NH2+]CCC[C@H]3C2)C1 ZINC001247012425 948574296 /nfs/dbraw/zinc/57/42/96/948574296.db2.gz DKMVIEVPCUFOKW-RFGFWPKPSA-N 1 0 267.373 1.506 20 5 CDBDRO CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C[C@H]1C ZINC001324418601 953382867 /nfs/dbraw/zinc/38/28/67/953382867.db2.gz YGPXWDHCNLDYBD-SECBINFHSA-N 1 0 265.317 1.224 20 5 CDBDRO C[NH2+]CCCC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328189377 955218183 /nfs/dbraw/zinc/21/81/83/955218183.db2.gz FDLXVKMRDYAPDS-UHFFFAOYSA-N 1 0 263.297 1.437 20 5 CDBDRO [NH3+][C@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001329281900 955795817 /nfs/dbraw/zinc/79/58/17/955795817.db2.gz JTGYGIVZYXYVDQ-CQSZACIVSA-N 1 0 289.335 1.607 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC001303798451 956120248 /nfs/dbraw/zinc/12/02/48/956120248.db2.gz BDJRPEISQKOJQJ-ONGXEEELSA-N 1 0 292.339 1.308 20 5 CDBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H](O)C3CC3)nc2c1 ZINC001308743182 956573102 /nfs/dbraw/zinc/57/31/02/956573102.db2.gz QYZCXUDEGDONJD-LLVKDONJSA-N 1 0 277.280 1.597 20 5 CDBDRO CC1=NO[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001335426286 959795404 /nfs/dbraw/zinc/79/54/04/959795404.db2.gz OOYHXQGHBVAUTM-OLZOCXBDSA-N 1 0 279.296 1.383 20 5 CDBDRO C[C@H](Nc1ccc([N+](=O)[O-])s1)[C@@H]1CN(C)CCN1C ZINC001337266814 961069545 /nfs/dbraw/zinc/06/95/45/961069545.db2.gz GEKXHOUGOWEJBW-UWVGGRQHSA-N 1 0 284.385 1.703 20 5 CDBDRO Nc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ncc1[N+](=O)[O-] ZINC001337732699 961393779 /nfs/dbraw/zinc/39/37/79/961393779.db2.gz DPDDJCTWHGKAMP-UWVGGRQHSA-N 1 0 277.328 1.611 20 5 CDBDRO C[NH2+]C1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC001340063717 962720827 /nfs/dbraw/zinc/72/08/27/962720827.db2.gz IBVXECGIWFCKSB-UHFFFAOYSA-N 1 0 289.335 1.622 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341664754 963502539 /nfs/dbraw/zinc/50/25/39/963502539.db2.gz FOZGBGCWZUEJHN-DDTOSNHZSA-N 1 0 291.351 1.813 20 5 CDBDRO CC(C)[NH2+]CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001341739377 963525313 /nfs/dbraw/zinc/52/53/13/963525313.db2.gz HEHJIHVDRXKEON-JTQLQIEISA-N 1 0 265.313 1.770 20 5 CDBDRO O=C(N[C@H]1CC[NH2+]C1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001343999708 964205159 /nfs/dbraw/zinc/20/51/59/964205159.db2.gz JOFXKDCFSMCCLQ-CYZMBNFOSA-N 1 0 275.308 1.176 20 5 CDBDRO [NH3+][C@H]1C[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001350405364 966657427 /nfs/dbraw/zinc/65/74/27/966657427.db2.gz OFCYFSRIRIVJGU-UMSPYCQHSA-N 1 0 275.308 1.217 20 5 CDBDRO Cc1nc(N2CC[NH2+]C3(CCCCC3)C2)ncc1[N+](=O)[O-] ZINC001352066544 967083023 /nfs/dbraw/zinc/08/30/23/967083023.db2.gz QPUZEVCFOJKAHD-UHFFFAOYSA-N 1 0 291.355 1.806 20 5 CDBDRO C[C@@H](NC(=O)C1([NH3+])CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001358141604 969700513 /nfs/dbraw/zinc/70/05/13/969700513.db2.gz DWBGOUILKBYVFB-SECBINFHSA-N 1 0 263.297 1.653 20 5 CDBDRO Cc1ccnc(N2CCC[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001158674758 1163373340 /nfs/dbraw/zinc/37/33/40/1163373340.db2.gz CLVCZNMWVOIJAU-CYBMUJFWSA-N 1 0 264.329 1.863 20 5 CDBDRO Cc1ccnc(N2CCC[C@@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001158674759 1163373532 /nfs/dbraw/zinc/37/35/32/1163373532.db2.gz CLVCZNMWVOIJAU-ZDUSSCGKSA-N 1 0 264.329 1.863 20 5 CDBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@]1(CO)CCOC1 ZINC000600177736 341983444 /nfs/dbraw/zinc/98/34/44/341983444.db2.gz COQZBWISMPDLFV-ZDTYVGOBSA-N 1 0 292.335 1.691 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2C[C@@H](CO)C2)n1 ZINC000601292167 342549677 /nfs/dbraw/zinc/54/96/77/342549677.db2.gz TUBZERHQBNUBFG-QNWHQSFQSA-N 1 0 294.355 1.636 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1C[C@@H](CO)C1 ZINC000601291766 342549736 /nfs/dbraw/zinc/54/97/36/342549736.db2.gz NKFGOTTXGFOCCM-CWSCBRNRSA-N 1 0 262.309 1.943 20 5 CDBDRO CC(C)Oc1nc(NCC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000565155493 365598733 /nfs/dbraw/zinc/59/87/33/365598733.db2.gz FMDSCRIOKRTSTL-LLVKDONJSA-N 1 0 294.355 1.753 20 5 CDBDRO C[NH2+]CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160914600 361742119 /nfs/dbraw/zinc/74/21/19/361742119.db2.gz AYOKMPKBDPYGAI-UHFFFAOYSA-N 1 0 293.323 1.184 20 5 CDBDRO O=[N+]([O-])c1ncccc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000608909487 342084471 /nfs/dbraw/zinc/08/44/71/342084471.db2.gz SHIGRNCDBZDSGB-NSHDSACASA-N 1 0 262.313 1.664 20 5 CDBDRO O=[N+]([O-])c1c(N2CC[C@@H]3CC[NH2+][C@H]3C2)nc2sccn21 ZINC000591438092 342631997 /nfs/dbraw/zinc/63/19/97/342631997.db2.gz KWYHARGUZJBLCT-IUCAKERBSA-N 1 0 293.352 1.492 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1c1ncc([N+](=O)[O-])cc1F ZINC000591433869 342631427 /nfs/dbraw/zinc/63/14/27/342631427.db2.gz CEENIHWNWZORSS-JGVFFNPUSA-N 1 0 254.265 1.316 20 5 CDBDRO Cc1cc(NC[C@@H](C)[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591436615 342631747 /nfs/dbraw/zinc/63/17/47/342631747.db2.gz GDEXSZYWSYRDJN-SECBINFHSA-N 1 0 287.323 1.541 20 5 CDBDRO CCc1nn(C)c(N2CC[C@H]3CC[NH2+][C@H]3C2)c1[N+](=O)[O-] ZINC000591437722 342631924 /nfs/dbraw/zinc/63/19/24/342631924.db2.gz JLIUWBYDCAQNOW-KOLCDFICSA-N 1 0 279.344 1.079 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3CC[NH2+][C@@H]3C2)c(F)c1 ZINC000591447888 342632847 /nfs/dbraw/zinc/63/28/47/342632847.db2.gz CFWIITKALDYKSJ-QMTHXVAHSA-N 1 0 279.315 1.918 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591449355 342632983 /nfs/dbraw/zinc/63/29/83/342632983.db2.gz VZQNGNBIEHDHPM-WCQYABFASA-N 1 0 261.325 1.779 20 5 CDBDRO CC[NH+](CC)CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000199016707 342642424 /nfs/dbraw/zinc/64/24/24/342642424.db2.gz LIFHDAKQWAZDBR-UHFFFAOYSA-N 1 0 252.318 1.931 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CCC(F)(F)CC2)c1 ZINC000592365788 342689271 /nfs/dbraw/zinc/68/92/71/342689271.db2.gz FGWCCNKKJHPGSD-UHFFFAOYSA-N 1 0 274.271 1.959 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC([NH3+])CC2)c1 ZINC000592285254 342683175 /nfs/dbraw/zinc/68/31/75/342683175.db2.gz HRLQVEBBMAFUQR-UHFFFAOYSA-N 1 0 293.323 1.557 20 5 CDBDRO CNc1ccc(C(=O)NC[C@H](C)C[NH2+]C)cc1[N+](=O)[O-] ZINC000592297116 342684200 /nfs/dbraw/zinc/68/42/00/342684200.db2.gz MNKBJBBTEXTBBU-SECBINFHSA-N 1 0 280.328 1.222 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C)[NH3+] ZINC000592333701 342685714 /nfs/dbraw/zinc/68/57/14/342685714.db2.gz NWJWFJHSEPTPDV-VIFPVBQESA-N 1 0 251.286 1.289 20 5 CDBDRO CC(C)(C)[NH2+]CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000340584803 361848550 /nfs/dbraw/zinc/84/85/50/361848550.db2.gz XTZZPFXOCTWZJH-UHFFFAOYSA-N 1 0 265.313 1.713 20 5 CDBDRO [NH3+]CCCCc1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594652432 342933762 /nfs/dbraw/zinc/93/37/62/342933762.db2.gz MXBXHMNNZGIOFX-UHFFFAOYSA-N 1 0 277.284 1.163 20 5 CDBDRO CCC[C@@H](CC)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000050403338 342291344 /nfs/dbraw/zinc/29/13/44/342291344.db2.gz KYGYLZZWCXSTJV-PWSUYJOCSA-N 1 0 270.333 1.321 20 5 CDBDRO COc1cc(C[NH2+][C@@H](C)C2(CO)CC2)c([N+](=O)[O-])cc1O ZINC000594968711 342991190 /nfs/dbraw/zinc/99/11/90/342991190.db2.gz ILQCTRGEBNAEMT-VIFPVBQESA-N 1 0 296.323 1.560 20 5 CDBDRO Cc1ccc(C[NH2+]CCc2cncn2C)cc1[N+](=O)[O-] ZINC000401828975 349724649 /nfs/dbraw/zinc/72/46/49/349724649.db2.gz FEUFETPYXGQURK-UHFFFAOYSA-N 1 0 274.324 1.969 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@H]2C[C@H](O)C2)n1 ZINC000595100865 343004104 /nfs/dbraw/zinc/00/41/04/343004104.db2.gz BOIDMBNMNTWNTJ-KKOKHZNYSA-N 1 0 280.328 1.388 20 5 CDBDRO [NH3+][C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[C@H]1F ZINC000595260569 343014306 /nfs/dbraw/zinc/01/43/06/343014306.db2.gz DCWISRVSZVEYKY-HTQZYQBOSA-N 1 0 273.289 1.168 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000595276288 343021947 /nfs/dbraw/zinc/02/19/47/343021947.db2.gz WZQKKGFFJHKSJO-JTQLQIEISA-N 1 0 280.328 1.344 20 5 CDBDRO Cc1noc(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595480909 343065169 /nfs/dbraw/zinc/06/51/69/343065169.db2.gz ASODQDUDYLFMEY-ZYHUDNBSSA-N 1 0 294.355 1.950 20 5 CDBDRO CC1(C)C[C@@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CO1 ZINC000595481988 343065249 /nfs/dbraw/zinc/06/52/49/343065249.db2.gz QFWDESPLCJXGTH-GFCCVEGCSA-N 1 0 294.355 1.996 20 5 CDBDRO Cc1noc(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000595504441 343079536 /nfs/dbraw/zinc/07/95/36/343079536.db2.gz JHFSXPZRYBBEKJ-CQSZACIVSA-N 1 0 294.355 1.809 20 5 CDBDRO COC1([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])CCOCC1 ZINC000595547472 343084182 /nfs/dbraw/zinc/08/41/82/343084182.db2.gz UJFRQKHPIDRRNP-JTQLQIEISA-N 1 0 299.327 1.565 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000595567011 343100320 /nfs/dbraw/zinc/10/03/20/343100320.db2.gz QTLRTNRVKFVJLO-JQWIXIFHSA-N 1 0 250.302 1.666 20 5 CDBDRO Cc1ccnc(N2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000265294802 362099397 /nfs/dbraw/zinc/09/93/97/362099397.db2.gz YSUFNOBUTAOZND-UHFFFAOYSA-N 1 0 276.340 1.830 20 5 CDBDRO Cc1ccc(NC(=O)[C@@H](C)[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000294978965 199280997 /nfs/dbraw/zinc/28/09/97/199280997.db2.gz GUEUBMKFJIBALF-SECBINFHSA-N 1 0 263.297 1.982 20 5 CDBDRO O=C1CC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1 ZINC000595744317 343150320 /nfs/dbraw/zinc/15/03/20/343150320.db2.gz VTZTVUGCJBMUKO-TZMCWYRMSA-N 1 0 289.335 1.695 20 5 CDBDRO [NH3+]Cc1nccn1CCOc1ccccc1[N+](=O)[O-] ZINC000600966375 342354797 /nfs/dbraw/zinc/35/47/97/342354797.db2.gz NHTATELDDARCLN-UHFFFAOYSA-N 1 0 262.269 1.329 20 5 CDBDRO Nc1c(C(=O)NCC2([NH3+])CCCC2)cc(F)cc1[N+](=O)[O-] ZINC000595966776 343198359 /nfs/dbraw/zinc/19/83/59/343198359.db2.gz SCEWWWMWXIVEHT-UHFFFAOYSA-N 1 0 296.302 1.317 20 5 CDBDRO Cc1c(CC(=O)N[C@@]2(C)CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000595991024 343213099 /nfs/dbraw/zinc/21/30/99/343213099.db2.gz FXOYFLPLOFRPNC-AWEZNQCLSA-N 1 0 277.324 1.314 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](C)C[NH2+]C ZINC000596105307 343228394 /nfs/dbraw/zinc/22/83/94/343228394.db2.gz JXBVMPFAYUQLFC-JTQLQIEISA-N 1 0 267.329 1.691 20 5 CDBDRO C[NH+]1CCC(CCNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596107053 343229161 /nfs/dbraw/zinc/22/91/61/343229161.db2.gz UIDATCGPIDHAFN-UHFFFAOYSA-N 1 0 280.328 1.839 20 5 CDBDRO C[C@H]1C[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000596157371 343254797 /nfs/dbraw/zinc/25/47/97/343254797.db2.gz YRJZISOZHRMALQ-IUCAKERBSA-N 1 0 278.312 1.733 20 5 CDBDRO C[N@H+](CCCCNc1cc[nH]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000596261401 343278340 /nfs/dbraw/zinc/27/83/40/343278340.db2.gz SAIZLMOIBYKJDG-UHFFFAOYSA-N 1 0 280.328 1.982 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H](C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000147784850 342436951 /nfs/dbraw/zinc/43/69/51/342436951.db2.gz OGSVFXQJGJCESR-SNVBAGLBSA-N 1 0 265.313 1.583 20 5 CDBDRO CCOCC[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000571277413 362228921 /nfs/dbraw/zinc/22/89/21/362228921.db2.gz VPKZVXWETPVRAI-CYBMUJFWSA-N 1 0 298.339 1.481 20 5 CDBDRO O=C1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C[C@H]2CCCCN12 ZINC000453624762 252329530 /nfs/dbraw/zinc/32/95/30/252329530.db2.gz JUFMRSGZKZJMOC-ZIAGYGMSSA-N 1 0 289.335 1.838 20 5 CDBDRO C[C@@H](C(=O)N1CC(C[NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000597707842 343605645 /nfs/dbraw/zinc/60/56/45/343605645.db2.gz HGGVLJIXOQULID-LLVKDONJSA-N 1 0 291.351 1.718 20 5 CDBDRO C[NH+](C)CC1CN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000597708962 343606550 /nfs/dbraw/zinc/60/65/50/343606550.db2.gz RNMIJUJHRQCTMC-UHFFFAOYSA-N 1 0 263.297 1.228 20 5 CDBDRO Cc1c(C(=O)NCC[C@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000597998607 343685262 /nfs/dbraw/zinc/68/52/62/343685262.db2.gz PNJDMODWQQIBGY-JTQLQIEISA-N 1 0 279.340 1.973 20 5 CDBDRO CC[NH2+][C@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000598638594 343853843 /nfs/dbraw/zinc/85/38/43/343853843.db2.gz PLXYTFCHBUDQDN-SECBINFHSA-N 1 0 251.286 1.840 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000598914330 343919586 /nfs/dbraw/zinc/91/95/86/343919586.db2.gz AGENCYFVFFSMKI-VROVMSAKSA-N 1 0 280.259 1.073 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915457 343919629 /nfs/dbraw/zinc/91/96/29/343919629.db2.gz MEEMROGOQQSGQB-SECBINFHSA-N 1 0 296.302 1.855 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598916300 343920095 /nfs/dbraw/zinc/92/00/95/343920095.db2.gz XDLCTOLWBUZOPU-SSDOTTSWSA-N 1 0 284.703 1.813 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CC[C@H](O)C1 ZINC000599091520 343952352 /nfs/dbraw/zinc/95/23/52/343952352.db2.gz BAZDXBQWTZJMSG-OCCSQVGLSA-N 1 0 293.367 1.620 20 5 CDBDRO CN1CC[NH+](CC2CN(c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000599106625 343955479 /nfs/dbraw/zinc/95/54/79/343955479.db2.gz IYWIUNKFQZHCDH-UHFFFAOYSA-N 1 0 290.367 1.278 20 5 CDBDRO CCc1ccc(C(=O)N2CCC[C@H]([NH2+]C)C2)cc1[N+](=O)[O-] ZINC000150988264 362358046 /nfs/dbraw/zinc/35/80/46/362358046.db2.gz BPZNAGMSDHGLBX-ZDUSSCGKSA-N 1 0 291.351 1.981 20 5 CDBDRO C[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000602109257 344338389 /nfs/dbraw/zinc/33/83/89/344338389.db2.gz IXRKWMVJFXBOJR-GFCCVEGCSA-N 1 0 293.367 1.984 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1c(F)cccc1[N+](=O)[O-] ZINC000602427371 344422277 /nfs/dbraw/zinc/42/22/77/344422277.db2.gz FZNGTNKNHXUSAV-MRVPVSSYSA-N 1 0 267.260 1.216 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000602595416 344502343 /nfs/dbraw/zinc/50/23/43/344502343.db2.gz IJCHULPEQHHMGM-HTQZYQBOSA-N 1 0 267.260 1.296 20 5 CDBDRO CSc1ccc(C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000602596780 344503195 /nfs/dbraw/zinc/50/31/95/344503195.db2.gz QZZWUZQOLUGIHV-WPRPVWTQSA-N 1 0 295.364 1.878 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H]([NH3+])C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000602594341 344477624 /nfs/dbraw/zinc/47/76/24/344477624.db2.gz ADYBFUKCXJSNGQ-GXSJLCMTSA-N 1 0 263.297 1.465 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC[C@@]2(O)CCCOC2)cc1 ZINC000602706371 344549543 /nfs/dbraw/zinc/54/95/43/344549543.db2.gz OXSLJADMRWZWLX-HNNXBMFYSA-N 1 0 294.351 1.659 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000602852662 344628495 /nfs/dbraw/zinc/62/84/95/344628495.db2.gz FSDZVUVOXNFMGN-GFCCVEGCSA-N 1 0 282.344 1.599 20 5 CDBDRO CC[C@H]([NH3+])c1cn(Cc2c(F)cc([N+](=O)[O-])cc2F)nn1 ZINC000603247050 344750823 /nfs/dbraw/zinc/75/08/23/344750823.db2.gz ITMYENSSTGEWEC-NSHDSACASA-N 1 0 297.265 1.923 20 5 CDBDRO C[NH2+]Cc1cn(Cc2c(F)cc([N+](=O)[O-])cc2F)nn1 ZINC000603247681 344751341 /nfs/dbraw/zinc/75/13/41/344751341.db2.gz XQPXDVFWYDTUFY-UHFFFAOYSA-N 1 0 283.238 1.232 20 5 CDBDRO Cc1nn(C[C@@H]2CC[N@@H+](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000603327713 344776482 /nfs/dbraw/zinc/77/64/82/344776482.db2.gz PXHSSWGFLPFZSG-SNVBAGLBSA-N 1 0 275.312 1.600 20 5 CDBDRO O=[N+]([O-])c1ncccc1N1CCN(c2cc[nH+]cc2)CC1 ZINC000603842695 344838001 /nfs/dbraw/zinc/83/80/01/344838001.db2.gz IODCGJIDOJTKMM-UHFFFAOYSA-N 1 0 285.307 1.711 20 5 CDBDRO CCC[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000603837274 344839048 /nfs/dbraw/zinc/83/90/48/344839048.db2.gz BPUOVNGAGLLRLP-UHFFFAOYSA-N 1 0 250.302 1.522 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC1CC[NH+](CC2CC2)CC1 ZINC000603869630 344841228 /nfs/dbraw/zinc/84/12/28/344841228.db2.gz LVXURRMIEZRUDQ-UHFFFAOYSA-N 1 0 279.344 1.615 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000038083923 344987822 /nfs/dbraw/zinc/98/78/22/344987822.db2.gz ZJZHAITZMYEVMJ-GFCCVEGCSA-N 1 0 298.364 1.162 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000159784885 345269934 /nfs/dbraw/zinc/26/99/34/345269934.db2.gz SFNYDBKFHLXJLC-SKDRFNHKSA-N 1 0 295.314 1.933 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+](CC2CC2)CC2CC2)c1 ZINC000072637821 345343896 /nfs/dbraw/zinc/34/38/96/345343896.db2.gz KVELKJAHOGZDDW-CQSZACIVSA-N 1 0 294.355 1.274 20 5 CDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000127459969 187307636 /nfs/dbraw/zinc/30/76/36/187307636.db2.gz HKLSYUKILYHDES-CYBMUJFWSA-N 1 0 283.303 1.837 20 5 CDBDRO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000057714487 347086755 /nfs/dbraw/zinc/08/67/55/347086755.db2.gz MNESGRMUZQKNOS-SNVBAGLBSA-N 1 0 277.324 1.807 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000089106666 346123929 /nfs/dbraw/zinc/12/39/29/346123929.db2.gz YVNLPMUXYYLOKO-PWSUYJOCSA-N 1 0 277.324 1.842 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000610244731 346228498 /nfs/dbraw/zinc/22/84/98/346228498.db2.gz KYVFXEUFMLMEEU-CQSZACIVSA-N 1 0 291.351 1.738 20 5 CDBDRO Cc1c(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC000086467876 362710919 /nfs/dbraw/zinc/71/09/19/362710919.db2.gz RIUULCSXCJMKIE-VHSXEESVSA-N 1 0 277.324 1.726 20 5 CDBDRO CC[NH2+]Cc1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000090296192 347651447 /nfs/dbraw/zinc/65/14/47/347651447.db2.gz VEUNVBXZSQLCDM-UHFFFAOYSA-N 1 0 275.312 1.539 20 5 CDBDRO C[C@@H](CCCO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000094943599 347799965 /nfs/dbraw/zinc/79/99/65/347799965.db2.gz XTYZNKFMBQQSCC-NSHDSACASA-N 1 0 252.314 1.888 20 5 CDBDRO CC(C)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000054373991 347821507 /nfs/dbraw/zinc/82/15/07/347821507.db2.gz HWJLPUZKWXYLBD-UHFFFAOYSA-N 1 0 280.328 1.337 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000613743156 347884900 /nfs/dbraw/zinc/88/49/00/347884900.db2.gz QLEGOOHJJNRGFA-GARJFASQSA-N 1 0 266.297 1.083 20 5 CDBDRO CC[C@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000128874937 187395946 /nfs/dbraw/zinc/39/59/46/187395946.db2.gz CXDFDWHDRVUSKM-CQSZACIVSA-N 1 0 277.324 1.743 20 5 CDBDRO O=C(CC[N@H+]1CCC[C@@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000041886302 348712270 /nfs/dbraw/zinc/71/22/70/348712270.db2.gz PEGYRNBKCKCYEQ-LLVKDONJSA-N 1 0 293.323 1.380 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)cn1 ZINC000078246748 348739340 /nfs/dbraw/zinc/73/93/40/348739340.db2.gz KLHAAVFNCQGYSI-CYBMUJFWSA-N 1 0 292.339 1.291 20 5 CDBDRO C[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000068064602 349047028 /nfs/dbraw/zinc/04/70/28/349047028.db2.gz AETLZGXVFBZEEG-QMMMGPOBSA-N 1 0 291.311 1.151 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091543115 180184219 /nfs/dbraw/zinc/18/42/19/180184219.db2.gz KFMUUODKUKTIRR-JQWIXIFHSA-N 1 0 277.324 1.681 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000291003913 197885526 /nfs/dbraw/zinc/88/55/26/197885526.db2.gz ZAYHBBZBVKOINZ-SECBINFHSA-N 1 0 268.317 1.381 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1[NH2+]CCCC1(C)C ZINC000236090171 362969562 /nfs/dbraw/zinc/96/95/62/362969562.db2.gz YPLJIGGDMQDFMS-VIFPVBQESA-N 1 0 267.333 1.518 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000310763857 350608877 /nfs/dbraw/zinc/60/88/77/350608877.db2.gz QHGMEETWBZQCFW-IUCAKERBSA-N 1 0 251.261 1.390 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@](C)(O)COC ZINC000069911635 351212002 /nfs/dbraw/zinc/21/20/02/351212002.db2.gz OXAPRVANMZFFLM-AWEZNQCLSA-N 1 0 298.339 1.481 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000124794009 351372575 /nfs/dbraw/zinc/37/25/75/351372575.db2.gz MBCPYZNAOXLQDZ-YUMQZZPRSA-N 1 0 269.326 1.608 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000156444639 351492355 /nfs/dbraw/zinc/49/23/55/351492355.db2.gz VYLGLXODFPUFQK-JOYOIKCWSA-N 1 0 294.311 1.175 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000156506458 351507231 /nfs/dbraw/zinc/50/72/31/351507231.db2.gz AVLBKWYEVYNHND-NOZJJQNGSA-N 1 0 299.758 1.796 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)C[NH+](C)C)n1 ZINC000291967532 198119917 /nfs/dbraw/zinc/11/99/17/198119917.db2.gz VUHMUMVUFFCFNE-VIFPVBQESA-N 1 0 296.327 1.386 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000135224740 187808562 /nfs/dbraw/zinc/80/85/62/187808562.db2.gz UZTRIEPCKVUAJI-NSHDSACASA-N 1 0 263.297 1.385 20 5 CDBDRO C[NH+](C)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000158386746 188373103 /nfs/dbraw/zinc/37/31/03/188373103.db2.gz QKIJTZNJDMTRLO-UHFFFAOYSA-N 1 0 283.715 1.634 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365367699 363356456 /nfs/dbraw/zinc/35/64/56/363356456.db2.gz DPMKHQBWCMIYCZ-BXUZGUMPSA-N 1 0 289.335 1.727 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000063192682 363382647 /nfs/dbraw/zinc/38/26/47/363382647.db2.gz DEEHCZZNDCVXTJ-CMPLNLGQSA-N 1 0 277.324 1.937 20 5 CDBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1O ZINC000286369745 356269643 /nfs/dbraw/zinc/26/96/43/356269643.db2.gz GFNCPMJSQDNPHO-MGPQQGTHSA-N 1 0 280.324 1.473 20 5 CDBDRO COC[C@@H](CCO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219223825 356239534 /nfs/dbraw/zinc/23/95/34/356239534.db2.gz CANOSDVNWXQDPK-CMPLNLGQSA-N 1 0 268.313 1.643 20 5 CDBDRO C[C@@H]1C[C@@H](Nc2c([N+](=O)[O-])ncn2C)C[N@@H+]1C1CC1 ZINC000267895297 363560035 /nfs/dbraw/zinc/56/00/35/363560035.db2.gz UBSKSFKWZMUUAR-RKDXNWHRSA-N 1 0 265.317 1.365 20 5 CDBDRO C[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000293987992 198858924 /nfs/dbraw/zinc/85/89/24/198858924.db2.gz XXRRBNHBVHTRNW-NSHDSACASA-N 1 0 294.355 1.321 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264463911 357330235 /nfs/dbraw/zinc/33/02/35/357330235.db2.gz FCYKEGJGOCYBIW-LLVKDONJSA-N 1 0 292.339 1.623 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@](C)(C[NH3+])C1 ZINC000261868842 357337001 /nfs/dbraw/zinc/33/70/01/357337001.db2.gz YRPVCZTXCKSPDF-AWEZNQCLSA-N 1 0 279.340 1.774 20 5 CDBDRO CC[C@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000062889996 357713090 /nfs/dbraw/zinc/71/30/90/357713090.db2.gz NMYSVDFNXPXTAC-ZDUSSCGKSA-N 1 0 263.297 1.923 20 5 CDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)[C@@H](C)C[N@@H+]1C ZINC000408067906 357801790 /nfs/dbraw/zinc/80/17/90/357801790.db2.gz PYFRJFVBVJQYEB-ZJUUUORDSA-N 1 0 250.302 1.519 20 5 CDBDRO Cc1cc(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000135245436 357809932 /nfs/dbraw/zinc/80/99/32/357809932.db2.gz MUOHIGLNZCCYIL-MFKMUULPSA-N 1 0 293.323 1.091 20 5 CDBDRO COc1cc(C(=O)N(C)CC[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000188704225 357928701 /nfs/dbraw/zinc/92/87/01/357928701.db2.gz NLYHFBXPKKGWJI-UHFFFAOYSA-N 1 0 295.339 1.545 20 5 CDBDRO CCC[NH2+][C@H](C)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000294685505 199133355 /nfs/dbraw/zinc/13/33/55/199133355.db2.gz FOWVIQJPOWQDMY-LLVKDONJSA-N 1 0 294.355 1.511 20 5 CDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408122668 358164435 /nfs/dbraw/zinc/16/44/35/358164435.db2.gz YPVOEYINEIWFRB-GWCFXTLKSA-N 1 0 292.339 1.622 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192454446 358204228 /nfs/dbraw/zinc/20/42/28/358204228.db2.gz ZZVJBEZBNCVCKV-MRVPVSSYSA-N 1 0 256.331 1.439 20 5 CDBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1csc([N+](=O)[O-])c1 ZINC000294798547 199188400 /nfs/dbraw/zinc/18/84/00/199188400.db2.gz IGIVYJHJJDMQQJ-JTQLQIEISA-N 1 0 283.353 1.918 20 5 CDBDRO COc1ccc(C[N@@H+]2C[C@H](C)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000361652603 358403239 /nfs/dbraw/zinc/40/32/39/358403239.db2.gz GHGSDRTVJKMFGX-CMPLNLGQSA-N 1 0 280.324 1.664 20 5 CDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC(C)(C)O ZINC000177726635 366456417 /nfs/dbraw/zinc/45/64/17/366456417.db2.gz ABWVPRDLZCHSSA-JTQLQIEISA-N 1 0 295.339 1.625 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[NH2+]C ZINC000595232109 358639492 /nfs/dbraw/zinc/63/94/92/358639492.db2.gz ULOTZNBIVZEAHK-SECBINFHSA-N 1 0 296.327 1.723 20 5 CDBDRO CCC[C@@](C)(O)C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000264851986 358748662 /nfs/dbraw/zinc/74/86/62/358748662.db2.gz LVRCJPJZKPINDR-CQSZACIVSA-N 1 0 298.339 1.950 20 5 CDBDRO CC[C@H](CCO)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567876922 358742260 /nfs/dbraw/zinc/74/22/60/358742260.db2.gz CDTQAMNTVNSDIS-NEPJUHHUSA-N 1 0 298.339 1.085 20 5 CDBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cnn(C)c1 ZINC000176224184 358742759 /nfs/dbraw/zinc/74/27/59/358742759.db2.gz SQYYARSNUZFYMT-UHFFFAOYSA-N 1 0 278.316 1.047 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000450690251 358982034 /nfs/dbraw/zinc/98/20/34/358982034.db2.gz VHNIEPSHUVLNSO-XHVZSJERSA-N 1 0 266.297 1.659 20 5 CDBDRO COc1ccc(C[N@H+](C)C2(CO)CC2)cc1[N+](=O)[O-] ZINC000353027124 359072573 /nfs/dbraw/zinc/07/25/73/359072573.db2.gz MAPGVFADOUYEQM-UHFFFAOYSA-N 1 0 266.297 1.560 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000287735072 359115107 /nfs/dbraw/zinc/11/51/07/359115107.db2.gz GIXWAVOGZCWCNA-QMMMGPOBSA-N 1 0 293.352 1.963 20 5 CDBDRO CC[N@@H+]1CC[C@@H](N(C)CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000357957562 359152375 /nfs/dbraw/zinc/15/23/75/359152375.db2.gz ISPDZAUAALZIMK-QWHCGFSZSA-N 1 0 295.387 1.596 20 5 CDBDRO C[NH2+][C@H](C)c1cn(Cc2cc([N+](=O)[O-])ccc2OC)nn1 ZINC000313903957 359156509 /nfs/dbraw/zinc/15/65/09/359156509.db2.gz CGBLZROIDWDUTA-SECBINFHSA-N 1 0 291.311 1.524 20 5 CDBDRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000049119220 359259094 /nfs/dbraw/zinc/25/90/94/359259094.db2.gz CULFTAKDMFNZQI-KWCYVHTRSA-N 1 0 296.371 1.711 20 5 CDBDRO CC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000049093612 359252574 /nfs/dbraw/zinc/25/25/74/359252574.db2.gz DAPDXTFEZORUNO-UMNHJUIQSA-N 1 0 270.333 1.176 20 5 CDBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339092481 359288467 /nfs/dbraw/zinc/28/84/67/359288467.db2.gz UJRFRDOAVAEEGV-JSGCOSHPSA-N 1 0 296.323 1.584 20 5 CDBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015925 359276352 /nfs/dbraw/zinc/27/63/52/359276352.db2.gz QIAKHLVNQQATHA-SKDRFNHKSA-N 1 0 265.313 1.584 20 5 CDBDRO Cn1c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000339671732 359426468 /nfs/dbraw/zinc/42/64/68/359426468.db2.gz QARJZKMUYUOZNU-GHMZBOCLSA-N 1 0 292.339 1.290 20 5 CDBDRO CNC(=O)[C@H](C)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000291936637 283433255 /nfs/dbraw/zinc/43/32/55/283433255.db2.gz PHJCVGLJBBSERY-GXFFZTMASA-N 1 0 291.351 1.640 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000049840683 359503486 /nfs/dbraw/zinc/50/34/86/359503486.db2.gz AWMAWFSDIXBVCM-SNVBAGLBSA-N 1 0 295.314 1.806 20 5 CDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CCC[NH2+]C1 ZINC000050162341 359598179 /nfs/dbraw/zinc/59/81/79/359598179.db2.gz DUAHZFZTIZLBJB-ZJUUUORDSA-N 1 0 280.328 1.051 20 5 CDBDRO [NH3+][C@@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000050244282 359687090 /nfs/dbraw/zinc/68/70/90/359687090.db2.gz GTFXZUKFJRQKBL-SECBINFHSA-N 1 0 258.281 1.680 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000050245664 359689514 /nfs/dbraw/zinc/68/95/14/359689514.db2.gz LJOWWUNOADOWKT-SNVBAGLBSA-N 1 0 263.297 1.324 20 5 CDBDRO C[NH+](C)C1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000135639055 359810313 /nfs/dbraw/zinc/81/03/13/359810313.db2.gz CUBLEOQQFPTXSW-VMPITWQZSA-N 1 0 275.308 1.380 20 5 CDBDRO C[C@H]1[C@H](CO)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000385752999 359916497 /nfs/dbraw/zinc/91/64/97/359916497.db2.gz DHSARZXIEJGSJE-AAEUAGOBSA-N 1 0 264.325 1.840 20 5 CDBDRO C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000297843214 200290618 /nfs/dbraw/zinc/29/06/18/200290618.db2.gz SGEBUVLSTHGZRZ-AOOOYVTPSA-N 1 0 293.327 1.546 20 5 CDBDRO C[C@H]1CC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000562488170 360009051 /nfs/dbraw/zinc/00/90/51/360009051.db2.gz OTNPTFFCRBKHBL-GXFFZTMASA-N 1 0 298.364 1.757 20 5 CDBDRO Cc1cc(C(=O)NCC[NH2+]C2CC2)ccc1[N+](=O)[O-] ZINC000054265538 360066538 /nfs/dbraw/zinc/06/65/38/360066538.db2.gz CPAFMXKGAWSEJG-UHFFFAOYSA-N 1 0 263.297 1.385 20 5 CDBDRO Cc1cc(C(=O)NCC2=CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000169273731 360201165 /nfs/dbraw/zinc/20/11/65/360201165.db2.gz IURNPJCWGHSKCL-UHFFFAOYSA-N 1 0 275.308 1.553 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@]1(O)CCSC1 ZINC000176753717 189007481 /nfs/dbraw/zinc/00/74/81/189007481.db2.gz KXKXWKPFHAJTPL-LBPRGKRZSA-N 1 0 268.338 1.552 20 5 CDBDRO Cn1c(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000487447291 360370864 /nfs/dbraw/zinc/37/08/64/360370864.db2.gz VLVYCEJGEGEVFZ-GHMZBOCLSA-N 1 0 294.355 1.536 20 5 CDBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000385884710 360463918 /nfs/dbraw/zinc/46/39/18/360463918.db2.gz LSLWHURGSNHYGH-KOLCDFICSA-N 1 0 268.288 1.937 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C)C2=O)cc1[N+](=O)[O-] ZINC000178688891 189137627 /nfs/dbraw/zinc/13/76/27/189137627.db2.gz DUGDXSOJKRNQGR-JQWIXIFHSA-N 1 0 277.324 1.785 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000160238503 360775879 /nfs/dbraw/zinc/77/58/79/360775879.db2.gz YQWIHVCNGTVYEU-SSDOTTSWSA-N 1 0 269.688 1.421 20 5 CDBDRO Cc1cc(C(=O)N[C@H](C)CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000299342389 200687548 /nfs/dbraw/zinc/68/75/48/200687548.db2.gz RJUGZBIXIHNHKH-LLVKDONJSA-N 1 0 279.340 1.973 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000053202758 361204943 /nfs/dbraw/zinc/20/49/43/361204943.db2.gz SKXDYPOINDMARW-NSHDSACASA-N 1 0 278.312 1.811 20 5 CDBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000345545139 361183427 /nfs/dbraw/zinc/18/34/27/361183427.db2.gz SKGKNRGXJFHCBZ-SNVBAGLBSA-N 1 0 297.359 1.179 20 5 CDBDRO C[C@@H](O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000168414935 361191740 /nfs/dbraw/zinc/19/17/40/361191740.db2.gz UTUMTAZIFVZEDQ-NXEZZACHSA-N 1 0 295.295 1.706 20 5 CDBDRO COc1cc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000301662804 201122336 /nfs/dbraw/zinc/12/23/36/201122336.db2.gz NDVCAODWRARUCU-TZMCWYRMSA-N 1 0 293.323 1.123 20 5 CDBDRO Cc1cccc(C(=O)N[C@@H](C)CCC[NH3+])c1[N+](=O)[O-] ZINC000295240803 363954908 /nfs/dbraw/zinc/95/49/08/363954908.db2.gz PAYZBHXERQMGFW-JTQLQIEISA-N 1 0 265.313 1.760 20 5 CDBDRO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000582181855 364078707 /nfs/dbraw/zinc/07/87/07/364078707.db2.gz VZEWAMLZIFLAHK-NSHDSACASA-N 1 0 292.339 1.217 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C[N@@H+]1C1CC1 ZINC000268038925 364081547 /nfs/dbraw/zinc/08/15/47/364081547.db2.gz XLRAUOMKXQLNCF-IUCAKERBSA-N 1 0 278.312 1.278 20 5 CDBDRO CCc1ccc(C(=O)NCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000237139142 364057071 /nfs/dbraw/zinc/05/70/71/364057071.db2.gz NGHKRQOFNPTICH-UHFFFAOYSA-N 1 0 277.324 1.639 20 5 CDBDRO CN(CC[NH+]1CCCC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000103118851 364600851 /nfs/dbraw/zinc/60/08/51/364600851.db2.gz KGZQRYFBFWRFHS-UHFFFAOYSA-N 1 0 277.324 1.763 20 5 CDBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249402248 364676935 /nfs/dbraw/zinc/67/69/35/364676935.db2.gz CHYWFAMWGGLKNO-RAIGVLPGSA-N 1 0 282.344 1.273 20 5 CDBDRO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000340936958 364885882 /nfs/dbraw/zinc/88/58/82/364885882.db2.gz UMZSJUCIVSUOCR-MWLCHTKSSA-N 1 0 266.297 1.559 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000414669653 241311269 /nfs/dbraw/zinc/31/12/69/241311269.db2.gz ZZDGFHNDLVOATE-SNVBAGLBSA-N 1 0 278.312 1.777 20 5 CDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[NH2+]C1 ZINC000417225323 242366907 /nfs/dbraw/zinc/36/69/07/242366907.db2.gz JGGQUYQPHQHCED-GFCCVEGCSA-N 1 0 292.339 1.189 20 5 CDBDRO CC(C)N1CC(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000278698942 367681023 /nfs/dbraw/zinc/68/10/23/367681023.db2.gz RVMYCXFPGKLOTJ-UHFFFAOYSA-N 1 0 279.296 1.123 20 5 CDBDRO NC(=O)c1ccc(NC[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420268093 244001030 /nfs/dbraw/zinc/00/10/30/244001030.db2.gz ABQQFTCIGYZATM-KOLCDFICSA-N 1 0 292.339 1.623 20 5 CDBDRO Cc1nc(NC[C@@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420271422 244004832 /nfs/dbraw/zinc/00/48/32/244004832.db2.gz CPHPEZWMBGZDRU-MNOVXSKESA-N 1 0 264.329 1.650 20 5 CDBDRO C[C@H](CC[NH+](C)C)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420579144 244263029 /nfs/dbraw/zinc/26/30/29/244263029.db2.gz CHWTWZLWQMATGQ-SECBINFHSA-N 1 0 280.328 1.446 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ncc([N+](=O)[O-])s1 ZINC000420632959 244299328 /nfs/dbraw/zinc/29/93/28/244299328.db2.gz IKGUZKQQGAZJNM-QMMMGPOBSA-N 1 0 256.331 1.582 20 5 CDBDRO CCC[NH+]1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000266195738 370951325 /nfs/dbraw/zinc/95/13/25/370951325.db2.gz HOHKILRZETYGQG-UHFFFAOYSA-N 1 0 264.329 1.830 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000330907246 203378098 /nfs/dbraw/zinc/37/80/98/203378098.db2.gz NRQKSBWSTPSNNV-DTWKUNHWSA-N 1 0 283.353 1.869 20 5 CDBDRO C[NH+]1CCC(CCO)(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000330911767 203381628 /nfs/dbraw/zinc/38/16/28/203381628.db2.gz HNTNELVJUDJLJH-UHFFFAOYSA-N 1 0 299.396 1.593 20 5 CDBDRO C[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000421196380 244626397 /nfs/dbraw/zinc/62/63/97/244626397.db2.gz FPIAVNYDLPSXQH-SNVBAGLBSA-N 1 0 277.324 1.901 20 5 CDBDRO Cn1c(C(=O)NC2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000421685448 244779816 /nfs/dbraw/zinc/77/98/16/244779816.db2.gz RLHNQYGMCABMJS-UHFFFAOYSA-N 1 0 294.355 1.536 20 5 CDBDRO CC[N@H+](C)CCNc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000295512580 370443968 /nfs/dbraw/zinc/44/39/68/370443968.db2.gz LRDKOCWLPVHEBM-UHFFFAOYSA-N 1 0 295.339 1.674 20 5 CDBDRO CC[C@@H](CO)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000295700032 370575740 /nfs/dbraw/zinc/57/57/40/370575740.db2.gz MIACJHZRUHHLNF-NSHDSACASA-N 1 0 268.313 1.676 20 5 CDBDRO C[NH+](C)CCCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000299504750 370639547 /nfs/dbraw/zinc/63/95/47/370639547.db2.gz PHFCXVKGSPEFHY-UHFFFAOYSA-N 1 0 271.342 1.728 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000422705921 245163321 /nfs/dbraw/zinc/16/33/21/245163321.db2.gz DAPARPJWQIICMT-NSHDSACASA-N 1 0 277.324 1.646 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000422749607 245213337 /nfs/dbraw/zinc/21/33/37/245213337.db2.gz ZYMPZZLQZQNTFS-SNVBAGLBSA-N 1 0 263.297 1.303 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000422772815 245238400 /nfs/dbraw/zinc/23/84/00/245238400.db2.gz ZQFNTKMVDUMRNB-GFCCVEGCSA-N 1 0 291.351 1.941 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)C[NH2+]C ZINC000422830642 245311272 /nfs/dbraw/zinc/31/12/72/245311272.db2.gz RGMUMNSEKZZWNI-JTQLQIEISA-N 1 0 295.339 1.579 20 5 CDBDRO COC[C@]1(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[NH2+]C1 ZINC000314183909 371193823 /nfs/dbraw/zinc/19/38/23/371193823.db2.gz LNULUBYJWBXNCQ-AWEZNQCLSA-N 1 0 293.323 1.468 20 5 CDBDRO Cc1ccnc(N2CC[C@H]([NH+]3CC=CC3)C2)c1[N+](=O)[O-] ZINC000266276425 371998776 /nfs/dbraw/zinc/99/87/76/371998776.db2.gz SGQPXSKJCCDYLE-LBPRGKRZSA-N 1 0 274.324 1.749 20 5 CDBDRO C[NH2+]CCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000151266379 372778144 /nfs/dbraw/zinc/77/81/44/372778144.db2.gz NLIRXZTWGVZTIS-UHFFFAOYSA-N 1 0 269.326 1.266 20 5 CDBDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000352877931 296190713 /nfs/dbraw/zinc/19/07/13/296190713.db2.gz RBMBKEHHWDIVJZ-OLZOCXBDSA-N 1 0 296.371 1.807 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000162447618 373507294 /nfs/dbraw/zinc/50/72/94/373507294.db2.gz BWABLXYYFUKZLD-NWDGAFQWSA-N 1 0 277.324 1.903 20 5 CDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[NH+](C)C ZINC000298364727 373513748 /nfs/dbraw/zinc/51/37/48/373513748.db2.gz RCYRFAOHNAPWIG-QMMMGPOBSA-N 1 0 296.283 1.183 20 5 CDBDRO C[C@@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000253184414 373649527 /nfs/dbraw/zinc/64/95/27/373649527.db2.gz HHOBDBVHWMSZMI-MWLCHTKSSA-N 1 0 292.339 1.115 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H](C[NH2+]C)C1 ZINC000091549601 374034058 /nfs/dbraw/zinc/03/40/58/374034058.db2.gz AUIYSPXOMKQYNG-NSHDSACASA-N 1 0 281.360 1.555 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+](CCO)C2CC2)c1 ZINC000298755902 374140699 /nfs/dbraw/zinc/14/06/99/374140699.db2.gz NRJFMPHPLAKUSE-UHFFFAOYSA-N 1 0 266.297 1.430 20 5 CDBDRO [NH3+]CCCCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417767976 374253438 /nfs/dbraw/zinc/25/34/38/374253438.db2.gz RGGHDKROVBSQEI-UHFFFAOYSA-N 1 0 280.328 1.175 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000114400232 374310333 /nfs/dbraw/zinc/31/03/33/374310333.db2.gz DAIQPMKWAXAYCZ-JTQLQIEISA-N 1 0 295.314 1.758 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH+](CC2CC2)CC1 ZINC000299052762 374340536 /nfs/dbraw/zinc/34/05/36/374340536.db2.gz NNUQBGAJSZJBJE-UHFFFAOYSA-N 1 0 278.312 1.091 20 5 CDBDRO O=C1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H]2CCCCN12 ZINC000313798911 374359802 /nfs/dbraw/zinc/35/98/02/374359802.db2.gz LJCNQRHMELAMOS-ZIAGYGMSSA-N 1 0 289.335 1.838 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH2+]CC1 ZINC000423195593 374372248 /nfs/dbraw/zinc/37/22/48/374372248.db2.gz ZOSSZCCJNSOPNC-LLVKDONJSA-N 1 0 263.341 1.867 20 5 CDBDRO Cc1ccnc(NCC[NH+]2CCC(O)CC2)c1[N+](=O)[O-] ZINC000296155301 374400723 /nfs/dbraw/zinc/40/07/23/374400723.db2.gz YGNHJYQRANYKFH-UHFFFAOYSA-N 1 0 280.328 1.167 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000424021930 246293549 /nfs/dbraw/zinc/29/35/49/246293549.db2.gz SKNQPWXWEULCIU-UHFFFAOYSA-N 1 0 295.339 1.593 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000429219606 374575105 /nfs/dbraw/zinc/57/51/05/374575105.db2.gz BVVOYNJQJSVNQQ-NSHDSACASA-N 1 0 293.367 1.844 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCCN1CCCO ZINC000449388606 374805521 /nfs/dbraw/zinc/80/55/21/374805521.db2.gz PMNORGZRSCMKHW-AWEZNQCLSA-N 1 0 293.367 1.531 20 5 CDBDRO C[C@@H]([NH2+]CCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000020091510 374844955 /nfs/dbraw/zinc/84/49/55/374844955.db2.gz AZNPBQKHQYUERT-GFCCVEGCSA-N 1 0 279.340 1.578 20 5 CDBDRO CC[C@H](CO)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000293824488 374957196 /nfs/dbraw/zinc/95/71/96/374957196.db2.gz HVIBYRIDIZGIEF-GFCCVEGCSA-N 1 0 252.314 1.840 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN(C)CCOCCO ZINC000282451518 375086292 /nfs/dbraw/zinc/08/62/92/375086292.db2.gz KGMPXXMOAIZYPR-UHFFFAOYSA-N 1 0 284.312 1.044 20 5 CDBDRO C[NH+](C)CCCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000047652790 375236935 /nfs/dbraw/zinc/23/69/35/375236935.db2.gz YOYBQLDQROQEKZ-UHFFFAOYSA-N 1 0 281.312 1.042 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000162145771 375283158 /nfs/dbraw/zinc/28/31/58/375283158.db2.gz NEDVTTXCHUJXIT-WDEREUQCSA-N 1 0 292.339 1.393 20 5 CDBDRO CCOc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000302857199 375261407 /nfs/dbraw/zinc/26/14/07/375261407.db2.gz MJAMCAMLHXVWSB-TXEJJXNPSA-N 1 0 291.351 1.991 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000162737820 375502656 /nfs/dbraw/zinc/50/26/56/375502656.db2.gz FANVQKSICOJYMY-NEPJUHHUSA-N 1 0 292.339 1.573 20 5 CDBDRO C[C@@H](O)[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000162818870 375525302 /nfs/dbraw/zinc/52/53/02/375525302.db2.gz WDFTUWXHPPYSTH-DGCLKSJQSA-N 1 0 264.325 1.840 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCO ZINC000344826255 375546528 /nfs/dbraw/zinc/54/65/28/375546528.db2.gz BGMOVVBQLFYWKP-DHZHZOJOSA-N 1 0 250.298 1.970 20 5 CDBDRO Cc1c(CN2CCO[C@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000228138942 375700240 /nfs/dbraw/zinc/70/02/40/375700240.db2.gz DDGSAYPFRGSENG-FZMZJTMJSA-N 1 0 279.340 1.451 20 5 CDBDRO COc1cccc(NC[C@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000228208804 375718006 /nfs/dbraw/zinc/71/80/06/375718006.db2.gz XQIKHPPQGMEBDY-NSHDSACASA-N 1 0 294.355 1.261 20 5 CDBDRO O=C(NC[C@H]1CC[NH2+]C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000133585998 375804119 /nfs/dbraw/zinc/80/41/19/375804119.db2.gz IGFPXRVUUNAPBF-QMMMGPOBSA-N 1 0 267.260 1.073 20 5 CDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000058926372 375841014 /nfs/dbraw/zinc/84/10/14/375841014.db2.gz IZACVMWVAAOJAQ-VIFPVBQESA-N 1 0 283.353 1.728 20 5 CDBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000358304652 375960763 /nfs/dbraw/zinc/96/07/63/375960763.db2.gz LMYNNGBUDFFZTM-JTQLQIEISA-N 1 0 282.344 1.773 20 5 CDBDRO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[C@@H]1[NH3+] ZINC000429159162 247427466 /nfs/dbraw/zinc/42/74/66/247427466.db2.gz FEZZZVKKAWKNGE-XVKPBYJWSA-N 1 0 296.302 1.125 20 5 CDBDRO C[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+](C)C ZINC000294244697 376007474 /nfs/dbraw/zinc/00/74/74/376007474.db2.gz FPOOMKCWVJYTLU-QMMMGPOBSA-N 1 0 285.731 1.928 20 5 CDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000262424623 190055277 /nfs/dbraw/zinc/05/52/77/190055277.db2.gz RMDJLYVTRXJLEZ-GFCCVEGCSA-N 1 0 277.324 1.253 20 5 CDBDRO [NH3+][C@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000430654608 247681015 /nfs/dbraw/zinc/68/10/15/247681015.db2.gz QIOUHCKWXKZNKT-VIFPVBQESA-N 1 0 298.730 1.220 20 5 CDBDRO C[C@H]([NH2+]C[C@H](O)Cn1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000296536940 376363783 /nfs/dbraw/zinc/36/37/83/376363783.db2.gz DSTDWFOQPYUMOM-FZMZJTMJSA-N 1 0 290.323 1.503 20 5 CDBDRO C[C@H](C[NH3+])N(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000430915249 247720333 /nfs/dbraw/zinc/72/03/33/247720333.db2.gz CBSVOPXVNOGEMT-SECBINFHSA-N 1 0 291.311 1.424 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000134195105 377148979 /nfs/dbraw/zinc/14/89/79/377148979.db2.gz LWQOHZNCWOVWHT-BBBLOLIVSA-N 1 0 265.313 1.755 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000189310213 377229327 /nfs/dbraw/zinc/22/93/27/377229327.db2.gz WORUGPVUUGBPTL-GXFFZTMASA-N 1 0 277.324 1.394 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000189314055 377231249 /nfs/dbraw/zinc/23/12/49/377231249.db2.gz VBBAPXCGWDOBLB-QPUJVOFHSA-N 1 0 281.287 1.604 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H]([NH3+])C2CC2)c1 ZINC000129315795 377361666 /nfs/dbraw/zinc/36/16/66/377361666.db2.gz UGODVEFXSQUONZ-SNVBAGLBSA-N 1 0 251.286 1.753 20 5 CDBDRO C[NH+](C)CC1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000443518854 250037848 /nfs/dbraw/zinc/03/78/48/250037848.db2.gz UMEKJNMQWKAAFP-UHFFFAOYSA-N 1 0 270.358 1.829 20 5 CDBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000443332467 250023642 /nfs/dbraw/zinc/02/36/42/250023642.db2.gz HSYFZBQSPODMIG-WOPDTQHZSA-N 1 0 282.344 1.273 20 5 CDBDRO CC(C)(C)[C@H](CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000278634724 194078549 /nfs/dbraw/zinc/07/85/49/194078549.db2.gz GQAKPXSFPXRYML-STQMWFEESA-N 1 0 282.340 1.625 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCCN2CC[NH2+][C@@H]3C[C@@H]32)cc1 ZINC001580875826 1172558557 /nfs/dbraw/zinc/55/85/57/1172558557.db2.gz SAWWLJZHUGFQKB-KGLIPLIRSA-N 1 0 277.324 1.410 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000041031581 379294054 /nfs/dbraw/zinc/29/40/54/379294054.db2.gz BAZIOGIEVLMENY-LBPRGKRZSA-N 1 0 291.351 1.975 20 5 CDBDRO Cc1cc(C(=O)N2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000041028681 379247923 /nfs/dbraw/zinc/24/79/23/379247923.db2.gz PYYLBQQDYXWNSR-NSHDSACASA-N 1 0 263.297 1.467 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CO)[C@H]2CCCO2)cc1 ZINC000447912436 250444044 /nfs/dbraw/zinc/44/40/44/250444044.db2.gz KAGNLYYURCRUQM-UONOGXRCSA-N 1 0 280.324 1.267 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000041677281 379443142 /nfs/dbraw/zinc/44/31/42/379443142.db2.gz YBRVOPJWOLKYPA-SECBINFHSA-N 1 0 269.349 1.779 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000382450556 412954011 /nfs/dbraw/zinc/95/40/11/412954011.db2.gz DYDBDFBEUISSQY-KCJUWKMLSA-N 1 0 281.287 1.591 20 5 CDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000493051978 253356628 /nfs/dbraw/zinc/35/66/28/253356628.db2.gz PJKVMSKRJGQNRP-RQOWECAXSA-N 1 0 279.271 1.179 20 5 CDBDRO C[C@H](CNC(=O)/C=C\c1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000493822768 253565572 /nfs/dbraw/zinc/56/55/72/253565572.db2.gz NAOKIXCTRQCRDD-JLVNDZCYSA-N 1 0 291.351 1.922 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000288455262 197083333 /nfs/dbraw/zinc/08/33/33/197083333.db2.gz DIHVEOHQOWVNDX-CMPLNLGQSA-N 1 0 298.364 1.426 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000286877193 196724148 /nfs/dbraw/zinc/72/41/48/196724148.db2.gz DYERTSLEAZLBGA-NSHDSACASA-N 1 0 279.340 1.594 20 5 CDBDRO Cc1nc(N2CCC[C@@H]([NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000450262275 390465201 /nfs/dbraw/zinc/46/52/01/390465201.db2.gz RVLTUTCEYMXBHK-GFCCVEGCSA-N 1 0 291.355 1.758 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261622697 390477772 /nfs/dbraw/zinc/47/77/72/390477772.db2.gz GREVGUIDNDPNBY-CYBMUJFWSA-N 1 0 290.367 1.387 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000320812441 390533276 /nfs/dbraw/zinc/53/32/76/390533276.db2.gz IKOKCYSNZKIMJF-BDAKNGLRSA-N 1 0 266.301 1.842 20 5 CDBDRO Cc1cc(C(=O)N(C)[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000135228554 390621616 /nfs/dbraw/zinc/62/16/16/390621616.db2.gz ATBHVRMOTGRSJH-LLVKDONJSA-N 1 0 263.297 1.337 20 5 CDBDRO CO[C@H]1COC[C@@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000290032528 390942702 /nfs/dbraw/zinc/94/27/02/390942702.db2.gz CYCQSELNVXDRBJ-KKUMJFAQSA-N 1 0 292.335 1.976 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCO[C@H]1C ZINC000120992281 391118531 /nfs/dbraw/zinc/11/85/31/391118531.db2.gz IYDKJMVGCWOILK-CABZTGNLSA-N 1 0 266.297 1.870 20 5 CDBDRO COc1cc(C(=O)NCC[NH2+]C(C)(C)C)ccc1[N+](=O)[O-] ZINC000174234220 533534469 /nfs/dbraw/zinc/53/44/69/533534469.db2.gz LWKRMWFSRSVKOV-UHFFFAOYSA-N 1 0 295.339 1.721 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000088059319 391247517 /nfs/dbraw/zinc/24/75/17/391247517.db2.gz BXJBBOXRZLRDNX-MRVPVSSYSA-N 1 0 283.715 1.682 20 5 CDBDRO CC(C)c1ccc(CNC[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000415097162 391257077 /nfs/dbraw/zinc/25/70/77/391257077.db2.gz RVTXEKFNCZGDPA-ZDUSSCGKSA-N 1 0 293.367 1.796 20 5 CDBDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000186396641 391270002 /nfs/dbraw/zinc/27/00/02/391270002.db2.gz KJGAKRDIWSECLE-UONOGXRCSA-N 1 0 296.371 1.975 20 5 CDBDRO Cc1cc(NC(=O)NC[C@@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000415425914 391410701 /nfs/dbraw/zinc/41/07/01/391410701.db2.gz DIPVQFSHGSHJQU-QMMMGPOBSA-N 1 0 266.301 1.620 20 5 CDBDRO CC[NH2+]CCNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000415435939 391430972 /nfs/dbraw/zinc/43/09/72/391430972.db2.gz JCDGLZGKSIBKMR-UHFFFAOYSA-N 1 0 282.300 1.334 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415630846 391469503 /nfs/dbraw/zinc/46/95/03/391469503.db2.gz LOLAEGBAGXGCRG-PELKAZGASA-N 1 0 296.302 1.996 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415627903 391469522 /nfs/dbraw/zinc/46/95/22/391469522.db2.gz DCLXJCAWLYGVRI-PELKAZGASA-N 1 0 296.302 1.853 20 5 CDBDRO Cc1nc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)ncc1[N+](=O)[O-] ZINC000294831135 391724797 /nfs/dbraw/zinc/72/47/97/391724797.db2.gz ADGUWTOMQVJNDF-CQSZACIVSA-N 1 0 291.355 1.615 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000592213466 392095683 /nfs/dbraw/zinc/09/56/83/392095683.db2.gz PIGJWGOFTVRJLL-WDEREUQCSA-N 1 0 294.355 1.562 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)CC[NH2+]1 ZINC000235727330 130953692 /nfs/dbraw/zinc/95/36/92/130953692.db2.gz VSDZOPGJDFAXRV-JGVFFNPUSA-N 1 0 253.258 1.058 20 5 CDBDRO Cc1ccc(C(=O)N(C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000237458198 131033325 /nfs/dbraw/zinc/03/33/25/131033325.db2.gz FJHFUSMFLDAGKN-VIFPVBQESA-N 1 0 251.286 1.322 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)CCC[NH3+])cc1[N+](=O)[O-] ZINC000237598423 131045285 /nfs/dbraw/zinc/04/52/85/131045285.db2.gz RRUKRDWOQRAELT-JTQLQIEISA-N 1 0 265.313 1.819 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc([N+](=O)[O-])c1 ZINC000261679416 131161615 /nfs/dbraw/zinc/16/16/15/131161615.db2.gz MDXUEDNUTWOYTP-HNNXBMFYSA-N 1 0 289.335 1.729 20 5 CDBDRO Nc1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000262604214 131239789 /nfs/dbraw/zinc/23/97/89/131239789.db2.gz ARASBPXHWNPLKY-KOLCDFICSA-N 1 0 278.312 1.034 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000262758356 131258413 /nfs/dbraw/zinc/25/84/13/131258413.db2.gz HZQOJNTXCLACHV-GHMZBOCLSA-N 1 0 293.323 1.182 20 5 CDBDRO CC[C@@H](NC(=O)C[C@@H](C[NH3+])OC)c1cccc([N+](=O)[O-])c1 ZINC000262769443 131260111 /nfs/dbraw/zinc/26/01/11/131260111.db2.gz IFSNFVNTWAIESH-QWHCGFSZSA-N 1 0 295.339 1.526 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C)N1CC[NH+](C)CC1 ZINC000264968144 131530663 /nfs/dbraw/zinc/53/06/63/131530663.db2.gz YJJNBQJFPWCAPQ-LBPRGKRZSA-N 1 0 293.371 1.346 20 5 CDBDRO CNC(=O)C1C[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000459610973 392492748 /nfs/dbraw/zinc/49/27/48/392492748.db2.gz POZFIBPRGHSRKI-IZZDOVSWSA-N 1 0 289.335 1.676 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2COC[C@H]2OC)cc1[N+](=O)[O-] ZINC000459753862 392503803 /nfs/dbraw/zinc/50/38/03/392503803.db2.gz KRUSVQDYCNUSES-GXFFZTMASA-N 1 0 282.296 1.107 20 5 CDBDRO CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cn1)[NH+]1CCCC1 ZINC000273626217 392750338 /nfs/dbraw/zinc/75/03/38/392750338.db2.gz PKXLUUDJYJAPIV-GFCCVEGCSA-N 1 0 279.344 1.917 20 5 CDBDRO COC[C@](C)([NH3+])CNc1nc(C)ccc1[N+](=O)[O-] ZINC000268837203 132074484 /nfs/dbraw/zinc/07/44/84/132074484.db2.gz UWCUBHRVUJDMCY-LLVKDONJSA-N 1 0 254.290 1.074 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000269122552 132116373 /nfs/dbraw/zinc/11/63/73/132116373.db2.gz KOHOPHRTOJSNDX-SNVBAGLBSA-N 1 0 295.364 1.507 20 5 CDBDRO CC1(C)CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[NH2+]1 ZINC000423702963 392967157 /nfs/dbraw/zinc/96/71/57/392967157.db2.gz AUHBFHSNRUJJEA-UHFFFAOYSA-N 1 0 296.302 1.140 20 5 CDBDRO C[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H](C)C1 ZINC000425509695 393025785 /nfs/dbraw/zinc/02/57/85/393025785.db2.gz AEDHOXSRFZAHDO-NXEZZACHSA-N 1 0 252.318 1.949 20 5 CDBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2c([N+](=O)[O-])ncn2C)[C@H](C)C1 ZINC000429793169 393087405 /nfs/dbraw/zinc/08/74/05/393087405.db2.gz VHUKCJQMKUIVGC-VXGBXAGGSA-N 1 0 295.387 1.490 20 5 CDBDRO COCCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430197001 393090288 /nfs/dbraw/zinc/09/02/88/393090288.db2.gz TVUCFTRWVKHXMZ-UHFFFAOYSA-N 1 0 298.339 1.434 20 5 CDBDRO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H](C)[NH2+]1 ZINC000430932991 393104728 /nfs/dbraw/zinc/10/47/28/393104728.db2.gz IHHRPDNOLFTTCX-NXEZZACHSA-N 1 0 290.323 1.918 20 5 CDBDRO CC(C)(O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131539207 393049685 /nfs/dbraw/zinc/04/96/85/393049685.db2.gz QCKIEFMDBNPCAX-UHFFFAOYSA-N 1 0 250.298 1.724 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000531389724 393061607 /nfs/dbraw/zinc/06/16/07/393061607.db2.gz ZEEPNZLTOVLIJC-WDEREUQCSA-N 1 0 294.355 1.536 20 5 CDBDRO C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000430964995 393107484 /nfs/dbraw/zinc/10/74/84/393107484.db2.gz HFIWJSYUFQRHFW-VXGBXAGGSA-N 1 0 279.340 1.656 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H](C)C[NH3+] ZINC000430969450 393108054 /nfs/dbraw/zinc/10/80/54/393108054.db2.gz CYVQLLYISXFTSW-NSHDSACASA-N 1 0 294.355 1.511 20 5 CDBDRO C[N@@H+]1CCN(CCNc2ncc([N+](=O)[O-])s2)CC1(C)C ZINC000282064342 393170711 /nfs/dbraw/zinc/17/07/11/393170711.db2.gz YQZUQXOLERONRO-UHFFFAOYSA-N 1 0 299.400 1.489 20 5 CDBDRO CC[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000124895513 393142586 /nfs/dbraw/zinc/14/25/86/393142586.db2.gz COVKROFPKOYNMZ-GFCCVEGCSA-N 1 0 265.313 1.551 20 5 CDBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000281863279 393160951 /nfs/dbraw/zinc/16/09/51/393160951.db2.gz ARNPVUHSGYHTLR-GFCCVEGCSA-N 1 0 293.323 1.184 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000165895546 139926608 /nfs/dbraw/zinc/92/66/08/139926608.db2.gz BGPHFYAQAJXISP-LURJTMIESA-N 1 0 257.677 1.325 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NCC2CC[NH+](CCO)CC2)n1 ZINC000178213886 140001470 /nfs/dbraw/zinc/00/14/70/140001470.db2.gz CDGXZPAORPHXIS-UHFFFAOYSA-N 1 0 294.355 1.414 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000193539834 140146860 /nfs/dbraw/zinc/14/68/60/140146860.db2.gz IORQIQZVQIIOJI-CABZTGNLSA-N 1 0 278.312 1.169 20 5 CDBDRO [NH3+]C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000236266878 140239540 /nfs/dbraw/zinc/23/95/40/140239540.db2.gz SVSUYQKHSOUHGD-ZDUSSCGKSA-N 1 0 277.324 1.842 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000251887976 140314098 /nfs/dbraw/zinc/31/40/98/140314098.db2.gz WOHAONYOXBLNIH-ZWNOBZJWSA-N 1 0 250.298 1.798 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000261584989 140356655 /nfs/dbraw/zinc/35/66/55/140356655.db2.gz STFMCWVKNQUWJB-VIFPVBQESA-N 1 0 253.277 1.780 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000261589755 140358200 /nfs/dbraw/zinc/35/82/00/140358200.db2.gz KXFNXLFCFWWYRP-ZDUSSCGKSA-N 1 0 267.304 1.905 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000261611050 140362791 /nfs/dbraw/zinc/36/27/91/140362791.db2.gz SKWCDYSMOWLVQL-ONGXEEELSA-N 1 0 263.297 1.085 20 5 CDBDRO Nc1c(-c2nc(C3([NH3+])CCC3)no2)cc(F)cc1[N+](=O)[O-] ZINC000261775209 140388047 /nfs/dbraw/zinc/38/80/47/140388047.db2.gz NKMINCFXXPTASV-UHFFFAOYSA-N 1 0 293.258 1.704 20 5 CDBDRO C[C@H]1CC[NH2+][C@@H](C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000423227169 397602886 /nfs/dbraw/zinc/60/28/86/397602886.db2.gz URUCMIYJZVCLRW-WCQYABFASA-N 1 0 291.351 1.642 20 5 CDBDRO COCc1cc([N+](=O)[O-])ccc1NCCCC[NH3+] ZINC000420229878 397681571 /nfs/dbraw/zinc/68/15/71/397681571.db2.gz HLWLWMAPEBSTHR-UHFFFAOYSA-N 1 0 253.302 1.892 20 5 CDBDRO CC(C)NC(=O)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000054048221 397703949 /nfs/dbraw/zinc/70/39/49/397703949.db2.gz OQJMDWLYGZGCSU-UHFFFAOYSA-N 1 0 279.340 1.642 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H](C[NH3+])C1 ZINC000091555165 146985539 /nfs/dbraw/zinc/98/55/39/146985539.db2.gz JRDKPFNOHGOTON-SNVBAGLBSA-N 1 0 267.333 1.295 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000168702960 147762251 /nfs/dbraw/zinc/76/22/51/147762251.db2.gz XOEVYMLHSGLUCT-GHMZBOCLSA-N 1 0 277.324 1.713 20 5 CDBDRO Cn1c(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)ccc1[N+](=O)[O-] ZINC000261606022 148979815 /nfs/dbraw/zinc/97/98/15/148979815.db2.gz BFCVBOSINNKSRU-SNVBAGLBSA-N 1 0 280.328 1.051 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000262016908 149001632 /nfs/dbraw/zinc/00/16/32/149001632.db2.gz RHUBVTMHFDOFFE-UWVGGRQHSA-N 1 0 293.323 1.413 20 5 CDBDRO O=C(C1C[NH2+]C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000262250475 149039722 /nfs/dbraw/zinc/03/97/22/149039722.db2.gz PKISZVFDEYYZAN-UHFFFAOYSA-N 1 0 275.308 1.305 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c(F)c1 ZINC000313583798 149244798 /nfs/dbraw/zinc/24/47/98/149244798.db2.gz YCSKJDJJTWLGJF-BHYNMZESSA-N 1 0 280.299 1.937 20 5 CDBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1O ZINC000352659475 155330319 /nfs/dbraw/zinc/33/03/19/155330319.db2.gz JTPPKHMUGCLQKJ-STQMWFEESA-N 1 0 250.298 1.940 20 5 CDBDRO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CCC[N@@H+]1C ZINC000343480502 152197678 /nfs/dbraw/zinc/19/76/78/152197678.db2.gz DLADSRKBJNDBEU-TVQRCGJNSA-N 1 0 295.314 1.946 20 5 CDBDRO [NH3+][C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000346052399 153036468 /nfs/dbraw/zinc/03/64/68/153036468.db2.gz CVWKRQCZHCTEET-NSHDSACASA-N 1 0 265.313 1.397 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000346223597 153102807 /nfs/dbraw/zinc/10/28/07/153102807.db2.gz MPFQMDKDBWOJIG-NXEZZACHSA-N 1 0 297.330 1.904 20 5 CDBDRO C[C@@H](NC(=O)CCOC1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000348987119 154020410 /nfs/dbraw/zinc/02/04/10/154020410.db2.gz DQPAUETUMZETHL-SNVBAGLBSA-N 1 0 293.323 1.151 20 5 CDBDRO COc1cccc(N2CC[C@H]([NH3+])[C@@H](C)C2)c1[N+](=O)[O-] ZINC000135057769 286457847 /nfs/dbraw/zinc/45/78/47/286457847.db2.gz FXKHBIPYBYSVEM-UWVGGRQHSA-N 1 0 265.313 1.777 20 5 CDBDRO CC[N@H+](C[C@@H](C)O)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000352221441 155034348 /nfs/dbraw/zinc/03/43/48/155034348.db2.gz MCNZJIZYAOAKQF-MNOVXSKESA-N 1 0 295.339 1.625 20 5 CDBDRO COC(=O)COc1ccc(C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000355604321 157139449 /nfs/dbraw/zinc/13/94/49/157139449.db2.gz HEUXWQVFOYKQMB-UHFFFAOYSA-N 1 0 296.323 1.987 20 5 CDBDRO C[N@@H+]1CC[C@@](O)(CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000358302203 157912733 /nfs/dbraw/zinc/91/27/33/157912733.db2.gz JKVKMEITVRSMGQ-GFCCVEGCSA-N 1 0 269.276 1.212 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C2CC2)[NH+](C)C)c1 ZINC000359292407 158202933 /nfs/dbraw/zinc/20/29/33/158202933.db2.gz OOLGSXOXWRRJMT-CQSZACIVSA-N 1 0 291.351 1.973 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)n1 ZINC000372154814 160085669 /nfs/dbraw/zinc/08/56/69/160085669.db2.gz IBRZFNMYDZBNDT-VXGBXAGGSA-N 1 0 280.328 1.150 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@](O)(C3CC3)C2)cc1 ZINC000373303251 160190279 /nfs/dbraw/zinc/19/02/79/160190279.db2.gz YKLNJIDNIYRZKG-HNNXBMFYSA-N 1 0 292.335 1.820 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000036976680 287056765 /nfs/dbraw/zinc/05/67/65/287056765.db2.gz RLQVMCSAQPQMQI-ZWNOBZJWSA-N 1 0 277.324 1.914 20 5 CDBDRO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035140129 172008221 /nfs/dbraw/zinc/00/82/21/172008221.db2.gz POYINDAOJFKOQO-ZJUUUORDSA-N 1 0 265.313 1.770 20 5 CDBDRO CCNC(=O)CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285373556 196264405 /nfs/dbraw/zinc/26/44/05/196264405.db2.gz RBSLQTZNPHXRLW-UHFFFAOYSA-N 1 0 279.340 1.595 20 5 CDBDRO CSCC[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000040464242 174273271 /nfs/dbraw/zinc/27/32/71/174273271.db2.gz WRCIPZFWNQRAGJ-CABZTGNLSA-N 1 0 297.380 1.852 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1C[NH3+] ZINC000044557441 175202434 /nfs/dbraw/zinc/20/24/34/175202434.db2.gz YENNZLNIGMAACI-ZDUSSCGKSA-N 1 0 279.340 1.917 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](O)C2)c1 ZINC000046055623 175391045 /nfs/dbraw/zinc/39/10/45/175391045.db2.gz HNSXDTBGXQJQGO-GFCCVEGCSA-N 1 0 266.297 1.430 20 5 CDBDRO CCN(c1nccc(C)c1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000070496694 175957416 /nfs/dbraw/zinc/95/74/16/175957416.db2.gz KHEDTUHOVANKCY-LLVKDONJSA-N 1 0 264.329 1.877 20 5 CDBDRO COC[C@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000071267739 176100891 /nfs/dbraw/zinc/10/08/91/176100891.db2.gz UZLOXMADMZSPPG-ZYHUDNBSSA-N 1 0 268.313 1.561 20 5 CDBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CC[NH2+]C1 ZINC000071315501 176121775 /nfs/dbraw/zinc/12/17/75/176121775.db2.gz WVQLQLUPPXWZCM-VIFPVBQESA-N 1 0 266.301 1.137 20 5 CDBDRO CC1CC[NH+](CCNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000040772360 424560342 /nfs/dbraw/zinc/56/03/42/424560342.db2.gz GMPDZDLMVWXEGP-UHFFFAOYSA-N 1 0 265.317 1.529 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC(C)(C)[NH+](C)C ZINC000091556146 273782357 /nfs/dbraw/zinc/78/23/57/273782357.db2.gz RVZNBZODBCXHFL-UHFFFAOYSA-N 1 0 269.349 1.872 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261738790 274118421 /nfs/dbraw/zinc/11/84/21/274118421.db2.gz LVHYNPXAINUEBG-CMPLNLGQSA-N 1 0 277.324 1.792 20 5 CDBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000105790479 274271256 /nfs/dbraw/zinc/27/12/56/274271256.db2.gz KNEGWFOQTQBQFS-NWDGAFQWSA-N 1 0 279.340 1.486 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]1C[NH3+] ZINC000070176936 274289393 /nfs/dbraw/zinc/28/93/93/274289393.db2.gz OSHJAJDIRDRBNS-RNCFNFMXSA-N 1 0 295.314 1.933 20 5 CDBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[C@@H]1[NH3+] ZINC000235326838 274369512 /nfs/dbraw/zinc/36/95/12/274369512.db2.gz JDAACUJVXXXENG-XCBNKYQSSA-N 1 0 270.720 1.817 20 5 CDBDRO O=[N+]([O-])c1c(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)nc2sccn21 ZINC000156363513 275032678 /nfs/dbraw/zinc/03/26/78/275032678.db2.gz OXNXALJOJXWJSE-BDAKNGLRSA-N 1 0 293.352 1.635 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CCC[NH2+]C1 ZINC000149424469 275033722 /nfs/dbraw/zinc/03/37/22/275033722.db2.gz KYIGZFXQKXIZFI-QMMMGPOBSA-N 1 0 256.693 1.807 20 5 CDBDRO CC(C)(C)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000081625180 275531579 /nfs/dbraw/zinc/53/15/79/275531579.db2.gz QEOPUGHWNVLXED-GFCCVEGCSA-N 1 0 279.340 1.627 20 5 CDBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000109705480 275595837 /nfs/dbraw/zinc/59/58/37/275595837.db2.gz SBDHAEZIOVFABN-MRVPVSSYSA-N 1 0 255.274 1.291 20 5 CDBDRO CCOc1cc(C(=O)N[C@H](C)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000347651959 276368769 /nfs/dbraw/zinc/36/87/69/276368769.db2.gz LYFPGSKYVVNUFL-MRVPVSSYSA-N 1 0 297.311 1.079 20 5 CDBDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000451484685 277702302 /nfs/dbraw/zinc/70/23/02/277702302.db2.gz HJATYIHVGNTVMQ-MFKMUULPSA-N 1 0 282.344 1.622 20 5 CDBDRO COc1cccc(N2C[C@H](C[NH3+])C[C@@H]2C)c1[N+](=O)[O-] ZINC000135060387 278017176 /nfs/dbraw/zinc/01/71/76/278017176.db2.gz OCNAZJLJOHDSLS-UWVGGRQHSA-N 1 0 265.313 1.777 20 5 CDBDRO C[C@](C[NH3+])(NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000127292437 278552684 /nfs/dbraw/zinc/55/26/84/278552684.db2.gz BYMZAXJPFJFHJQ-RZIFZGNASA-N 1 0 289.335 1.852 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)COCC2CC2)c1 ZINC000051634452 279181190 /nfs/dbraw/zinc/18/11/90/279181190.db2.gz VSVYQZNHOZLHKZ-CQSZACIVSA-N 1 0 280.324 1.472 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCOC2)cc1 ZINC000088718521 279258979 /nfs/dbraw/zinc/25/89/79/279258979.db2.gz MPLUGMLWMXZPPN-JTQLQIEISA-N 1 0 252.270 1.352 20 5 CDBDRO C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000038083200 279478193 /nfs/dbraw/zinc/47/81/93/279478193.db2.gz GECCNZUMEILSOM-QWRGUYRKSA-N 1 0 298.364 1.680 20 5 CDBDRO Cc1c(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000129221369 279593803 /nfs/dbraw/zinc/59/38/03/279593803.db2.gz VEJWVAKLKDLDOG-ONGXEEELSA-N 1 0 277.324 1.855 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000210763208 280084646 /nfs/dbraw/zinc/08/46/46/280084646.db2.gz UCYPMYZPGDGIAW-VAWSOJLPSA-N 1 0 263.297 1.462 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418240818 280165375 /nfs/dbraw/zinc/16/53/75/280165375.db2.gz ZUPUVWJLJGBFAL-GXSJLCMTSA-N 1 0 280.328 1.692 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000237365495 280173080 /nfs/dbraw/zinc/17/30/80/280173080.db2.gz ULMWNSMJDQNKGX-QBBOHKLWSA-N 1 0 263.297 1.319 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261664743 280372780 /nfs/dbraw/zinc/37/27/80/280372780.db2.gz KVQPDOKVJHRMFN-LLVKDONJSA-N 1 0 294.330 1.218 20 5 CDBDRO CCN1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000391515234 280681257 /nfs/dbraw/zinc/68/12/57/280681257.db2.gz QAXLKLXIZBOOHN-LLVKDONJSA-N 1 0 263.297 1.305 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000053253764 281257590 /nfs/dbraw/zinc/25/75/90/281257590.db2.gz RAINRFAWZWIMQR-JTQLQIEISA-N 1 0 263.297 1.385 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000297384276 289039827 /nfs/dbraw/zinc/03/98/27/289039827.db2.gz NHRACXYOVINZMC-MWLCHTKSSA-N 1 0 263.297 1.547 20 5 CDBDRO CC[N@H+](C)CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255313977 289365187 /nfs/dbraw/zinc/36/51/87/289365187.db2.gz WRDHLZXHBORWLV-TWGQIWQCSA-N 1 0 277.324 1.676 20 5 CDBDRO C[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000560343017 293022799 /nfs/dbraw/zinc/02/27/99/293022799.db2.gz VSRNJJSYLXQEKX-JTQLQIEISA-N 1 0 286.353 1.160 20 5 CDBDRO COC[C@H](CCO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000223970171 293101954 /nfs/dbraw/zinc/10/19/54/293101954.db2.gz HDCJIHGMMHGRME-PWSUYJOCSA-N 1 0 268.313 1.643 20 5 CDBDRO C[C@H](C[C@H](C)O)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570332254 294217600 /nfs/dbraw/zinc/21/76/00/294217600.db2.gz LUMSHPCXPDPRJW-WOPDTQHZSA-N 1 0 298.339 1.084 20 5 CDBDRO CO[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572476909 294628762 /nfs/dbraw/zinc/62/87/62/294628762.db2.gz RIQZVZDPKFEEPM-IJLUTSLNSA-N 1 0 298.339 1.348 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000216003767 302039327 /nfs/dbraw/zinc/03/93/27/302039327.db2.gz ZUMAOWGILPHHED-QWRGUYRKSA-N 1 0 277.324 1.713 20 5 CDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@@H]12 ZINC000185200679 303474051 /nfs/dbraw/zinc/47/40/51/303474051.db2.gz MEDDOORJAUIFPP-XXILOJSOSA-N 1 0 293.298 1.543 20 5 CDBDRO CNc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000576561699 317161282 /nfs/dbraw/zinc/16/12/82/317161282.db2.gz ZWWWWKBXRYKZFM-MWLCHTKSSA-N 1 0 292.339 1.588 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC(C)(C)CCC[NH+](C)C ZINC000576590847 317168728 /nfs/dbraw/zinc/16/87/28/317168728.db2.gz GIOJVQOVBKKEOK-UHFFFAOYSA-N 1 0 296.371 1.784 20 5 CDBDRO O=c1c2cc([N+](=O)[O-])sc2ncn1CC1CC[NH2+]CC1 ZINC000577218822 317288654 /nfs/dbraw/zinc/28/86/54/317288654.db2.gz LZROZFBDQLJZNN-UHFFFAOYSA-N 1 0 294.336 1.366 20 5 CDBDRO CC[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181678501 323242329 /nfs/dbraw/zinc/24/23/29/323242329.db2.gz NCVSPQICXNHKGQ-JTQLQIEISA-N 1 0 254.286 1.286 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000381752286 323631884 /nfs/dbraw/zinc/63/18/84/323631884.db2.gz NQILJZYNTZDGFN-SFYZADRCSA-N 1 0 287.341 1.146 20 5 CDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000389739569 323809030 /nfs/dbraw/zinc/80/90/30/323809030.db2.gz SFCJLBCFVKDDNZ-LBPRGKRZSA-N 1 0 295.314 1.852 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000578750735 324013142 /nfs/dbraw/zinc/01/31/42/324013142.db2.gz ZDEMNMIIXCBQEK-NXEZZACHSA-N 1 0 275.308 1.482 20 5 CDBDRO CC(C)[NH2+]CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000583642626 325215572 /nfs/dbraw/zinc/21/55/72/325215572.db2.gz OFZCCJMJCGEXRV-UHFFFAOYSA-N 1 0 285.731 1.862 20 5 CDBDRO Cc1cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1[N+](=O)[O-] ZINC001225633262 1160031248 /nfs/dbraw/zinc/03/12/48/1160031248.db2.gz QDRKGPVCRPEHGV-LLVKDONJSA-N 1 0 297.331 1.266 20 5 CDBDRO Cc1c(CNC(=O)NCC(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC000418076609 533857733 /nfs/dbraw/zinc/85/77/33/533857733.db2.gz GONAWAVYKPBEAP-UHFFFAOYSA-N 1 0 280.328 1.440 20 5 CDBDRO CCS(=O)(=O)CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000069173163 521643172 /nfs/dbraw/zinc/64/31/72/521643172.db2.gz NOZFFFMJRCVJCP-UHFFFAOYSA-N 1 0 286.353 1.428 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000236763058 521650013 /nfs/dbraw/zinc/65/00/13/521650013.db2.gz XSCGEWOWSVYSFR-UHFFFAOYSA-N 1 0 295.339 1.607 20 5 CDBDRO CO[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000226422697 523685159 /nfs/dbraw/zinc/68/51/59/523685159.db2.gz UONCZRHLZRJWNR-HUUCEWRRSA-N 1 0 293.367 1.575 20 5 CDBDRO COCCOCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000044693961 524011253 /nfs/dbraw/zinc/01/12/53/524011253.db2.gz YJYTUUSAHPTSLL-LLVKDONJSA-N 1 0 268.313 1.908 20 5 CDBDRO CNC(=O)[C@@H](C)C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000081525815 524080494 /nfs/dbraw/zinc/08/04/94/524080494.db2.gz ZVVQHWCDGKJQBU-NSHDSACASA-N 1 0 295.339 1.288 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000070172317 524860878 /nfs/dbraw/zinc/86/08/78/524860878.db2.gz CPLSGFVIHAOLNR-IUCAKERBSA-N 1 0 283.353 1.856 20 5 CDBDRO C[C@@H]([NH3+])CCC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000277500215 524996022 /nfs/dbraw/zinc/99/60/22/524996022.db2.gz PAJGHHLJPKUSNW-SNVBAGLBSA-N 1 0 265.313 1.381 20 5 CDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000070170195 527192459 /nfs/dbraw/zinc/19/24/59/527192459.db2.gz NDIODBXBKPUKCN-VIFPVBQESA-N 1 0 283.353 1.857 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000184946962 527366635 /nfs/dbraw/zinc/36/66/35/527366635.db2.gz CYCLXVXKMFGBCF-MRVWCRGKSA-N 1 0 289.335 1.333 20 5 CDBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000184954411 527413836 /nfs/dbraw/zinc/41/38/36/527413836.db2.gz CQBCNCJSFLCHQA-BNOWGMLFSA-N 1 0 289.335 1.333 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000422712356 535427562 /nfs/dbraw/zinc/42/75/62/535427562.db2.gz OBAWEEXZDXQVRZ-SECBINFHSA-N 1 0 279.296 1.167 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000261667592 535970303 /nfs/dbraw/zinc/97/03/03/535970303.db2.gz ZPLUIYVINBDORT-IUCAKERBSA-N 1 0 267.333 1.306 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000322775230 536299432 /nfs/dbraw/zinc/29/94/32/536299432.db2.gz JIFSWVATOIORJS-VIFPVBQESA-N 1 0 251.286 1.209 20 5 CDBDRO COc1cc(C(=O)N2CCC[C@H]2C[NH3+])cc([N+](=O)[O-])c1C ZINC000422884679 536886041 /nfs/dbraw/zinc/88/60/41/536886041.db2.gz SOTCTHJFZHSRLA-NSHDSACASA-N 1 0 293.323 1.475 20 5 CDBDRO CC[NH+](CC)CCOC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000772037178 575653255 /nfs/dbraw/zinc/65/32/55/575653255.db2.gz NVVBLVANRQQRNV-UHFFFAOYSA-N 1 0 299.302 1.815 20 5 CDBDRO CC[NH+](CC)CCOC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000772240781 575675312 /nfs/dbraw/zinc/67/53/12/575675312.db2.gz JXSINSJTPWPXLU-UHFFFAOYSA-N 1 0 281.312 1.676 20 5 CDBDRO C[C@H]1CCC[N@@H+]1CCNc1c([N+](=O)[O-])ncn1C ZINC000742427294 576602524 /nfs/dbraw/zinc/60/25/24/576602524.db2.gz HDUUDQZBOSKIFF-VIFPVBQESA-N 1 0 253.306 1.225 20 5 CDBDRO C[C@H]1CCC[N@@H+]1CCNc1ncccc1[N+](=O)[O-] ZINC000742426727 576602756 /nfs/dbraw/zinc/60/27/56/576602756.db2.gz BKMBSDDHHHVATE-JTQLQIEISA-N 1 0 250.302 1.886 20 5 CDBDRO C[C@@H](C(=O)N1CCN(C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000761954272 576608670 /nfs/dbraw/zinc/60/86/70/576608670.db2.gz LIRAKKMNLHKPBS-NWDGAFQWSA-N 1 0 291.351 1.861 20 5 CDBDRO CCn1nccc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000753852660 576863050 /nfs/dbraw/zinc/86/30/50/576863050.db2.gz FCNLYTBWNWKITM-AWEZNQCLSA-N 1 0 290.323 1.634 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000892762480 617711127 /nfs/dbraw/zinc/71/11/27/617711127.db2.gz AHYZRLMEDXIPMH-LBPRGKRZSA-N 1 0 293.371 1.496 20 5 CDBDRO CC[C@H](COC)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893021099 618064273 /nfs/dbraw/zinc/06/42/73/618064273.db2.gz DLAYPKVHWIWWGU-SNVBAGLBSA-N 1 0 284.312 1.824 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000894041455 618282756 /nfs/dbraw/zinc/28/27/56/618282756.db2.gz CEXPDVSCJKPHOI-GXSJLCMTSA-N 1 0 296.323 1.824 20 5 CDBDRO CCC[C@H]1CN(c2ncccc2[N+](=O)[O-])CC[NH2+]1 ZINC000895057590 619242240 /nfs/dbraw/zinc/24/22/40/619242240.db2.gz GMMWYFRSKQHCFB-JTQLQIEISA-N 1 0 250.302 1.568 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2c1ncccc1[N+](=O)[O-] ZINC000895193576 619445347 /nfs/dbraw/zinc/44/53/47/619445347.db2.gz XCMQQNHNFUZJAA-WDEREUQCSA-N 1 0 262.313 1.663 20 5 CDBDRO CC(=O)N1CC[C@@H]([NH2+]CC[N+](=O)[O-])c2ccccc21 ZINC000905186380 626666589 /nfs/dbraw/zinc/66/65/89/626666589.db2.gz AKHXDAUOAADBML-GFCCVEGCSA-N 1 0 263.297 1.351 20 5 CDBDRO Cc1cc(C)n(-c2ccccc2C[NH2+]CC[N+](=O)[O-])n1 ZINC000905167849 626676121 /nfs/dbraw/zinc/67/61/21/626676121.db2.gz LFDQEWDDEYXPEH-UHFFFAOYSA-N 1 0 274.324 1.855 20 5 CDBDRO O=C1OCCN1c1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905205167 626691018 /nfs/dbraw/zinc/69/10/18/626691018.db2.gz TXKLENWYXMZNIV-UHFFFAOYSA-N 1 0 265.269 1.010 20 5 CDBDRO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000905213869 626694825 /nfs/dbraw/zinc/69/48/25/626694825.db2.gz RXLNNDCBCBXBKU-GXTWGEPZSA-N 1 0 263.341 1.373 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000905274410 626729852 /nfs/dbraw/zinc/72/98/52/626729852.db2.gz RYHSCNIYMGYVJC-UHFFFAOYSA-N 1 0 262.668 1.724 20 5 CDBDRO O=[N+]([O-])CCNCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000905366076 626785317 /nfs/dbraw/zinc/78/53/17/626785317.db2.gz FNHQTTAHCCJGTL-HNNXBMFYSA-N 1 0 293.367 1.010 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000905371155 626789109 /nfs/dbraw/zinc/78/91/09/626789109.db2.gz GSRJPMAXFKVGNE-JTQLQIEISA-N 1 0 289.129 1.349 20 5 CDBDRO COCC1C[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000905972733 627062764 /nfs/dbraw/zinc/06/27/64/627062764.db2.gz SPCZFQHBIGFEFA-ZDUSSCGKSA-N 1 0 266.297 1.206 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCOC2)cc1 ZINC000149694398 628365923 /nfs/dbraw/zinc/36/59/23/628365923.db2.gz IRADEVXETHLHTO-CMPLNLGQSA-N 1 0 252.270 1.007 20 5 CDBDRO C[NH2+]CCCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911676826 629407963 /nfs/dbraw/zinc/40/79/63/629407963.db2.gz LTGSZIQDGWJHDK-OLZOCXBDSA-N 1 0 277.324 1.424 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911764708 629481971 /nfs/dbraw/zinc/48/19/71/629481971.db2.gz OPNWQSMIMSXBRS-NWDGAFQWSA-N 1 0 277.324 1.552 20 5 CDBDRO CC(C)C[C@H]([NH3+])CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000912273662 629905418 /nfs/dbraw/zinc/90/54/18/629905418.db2.gz ITDCSMQMIMIXCI-LBPRGKRZSA-N 1 0 279.340 1.975 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC001170294827 1162327552 /nfs/dbraw/zinc/32/75/52/1162327552.db2.gz CYTTYWJRULCXAJ-WCQYABFASA-N 1 0 293.367 1.828 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]C2(C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC001170294624 1162327842 /nfs/dbraw/zinc/32/78/42/1162327842.db2.gz CCADAYRUFKXTTK-VIFPVBQESA-N 1 0 293.323 1.142 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]CC(OC)OC)c([N+](=O)[O-])c1 ZINC001170306254 1162328091 /nfs/dbraw/zinc/32/80/91/1162328091.db2.gz TZBIXWIVKMSQAQ-SNVBAGLBSA-N 1 0 298.339 1.743 20 5 CDBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001170334541 1162338075 /nfs/dbraw/zinc/33/80/75/1162338075.db2.gz GOZPWXKGEVUOKY-DGCLKSJQSA-N 1 0 294.351 1.991 20 5 CDBDRO Cc1cc(Cl)nc(N2CC[C@](F)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001157812654 1162443258 /nfs/dbraw/zinc/44/32/58/1162443258.db2.gz DROKEISRWQKTGF-NSHDSACASA-N 1 0 288.710 1.829 20 5 CDBDRO COc1nc(-n2cnc3ccc(C[NH3+])cc32)ccc1[N+](=O)[O-] ZINC001158006530 1162672759 /nfs/dbraw/zinc/67/27/59/1162672759.db2.gz FTJFWTQPOZCXPT-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NCCOCCOCC[NH3+] ZINC001170507295 1162675977 /nfs/dbraw/zinc/67/59/77/1162675977.db2.gz HTKZVWRJMKQHAX-UHFFFAOYSA-N 1 0 283.328 1.307 20 5 CDBDRO COc1cc(C)c([N+](=O)[O-])cc1N[C@H](C)[C@@H]1C[NH2+]CCO1 ZINC001170567123 1162940885 /nfs/dbraw/zinc/94/08/85/1162940885.db2.gz JEOKLEZIMCSCAP-YGRLFVJLSA-N 1 0 295.339 1.701 20 5 CDBDRO COc1c(F)cc(N[C@H](C)[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC001170570199 1162954598 /nfs/dbraw/zinc/95/45/98/1162954598.db2.gz UMXUWYCWOWNUKF-PELKAZGASA-N 1 0 299.302 1.531 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]3COC[C@@H](C2)C3[NH3+])n1 ZINC001167188028 1158543141 /nfs/dbraw/zinc/54/31/41/1158543141.db2.gz NXQHQFOWYRFORU-FOSCPWQOSA-N 1 0 292.339 1.017 20 5 CDBDRO COC(=O)c1cc(N[C@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001167278572 1158555978 /nfs/dbraw/zinc/55/59/78/1158555978.db2.gz MWBSJOUECYYBJH-JTQLQIEISA-N 1 0 279.296 1.497 20 5 CDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cnco1 ZINC001132029892 1163153785 /nfs/dbraw/zinc/15/37/85/1163153785.db2.gz JKDTZIABYQECKX-UHFFFAOYSA-N 1 0 290.279 1.102 20 5 CDBDRO NC(=O)C1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCCC1 ZINC001168966601 1161996398 /nfs/dbraw/zinc/99/63/98/1161996398.db2.gz JQNXGJLWJKICHU-MNOVXSKESA-N 1 0 269.345 1.210 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cn(CCF)cn2)C1 ZINC001168998062 1161996840 /nfs/dbraw/zinc/99/68/40/1161996840.db2.gz HUHPHOHHOLBYIC-WDEREUQCSA-N 1 0 270.308 1.388 20 5 CDBDRO CC(C)[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)NC(C)(C)C ZINC001168999376 1161996988 /nfs/dbraw/zinc/99/69/88/1161996988.db2.gz SLKKUYUBFMESPF-UPJWGTAASA-N 1 0 299.415 1.961 20 5 CDBDRO COC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168998479 1161997007 /nfs/dbraw/zinc/99/70/07/1161997007.db2.gz NMYPWLZMEFFVOI-CYDGBPFRSA-N 1 0 284.356 1.753 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCN(C)C1 ZINC000866258952 1164758980 /nfs/dbraw/zinc/75/89/80/1164758980.db2.gz DSWJVKMLBYFNCJ-GWCFXTLKSA-N 1 0 281.331 1.959 20 5 CDBDRO Cc1nc(NCc2ccc3c(c2)CC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001155272623 1167113179 /nfs/dbraw/zinc/11/31/79/1167113179.db2.gz QPNYLWRQVAMEDK-UHFFFAOYSA-N 1 0 299.334 1.951 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1COCCC12C[NH2+]C2 ZINC001155463802 1167180216 /nfs/dbraw/zinc/18/02/16/1167180216.db2.gz XZNNVMLRBWIBHR-NSHDSACASA-N 1 0 278.312 1.089 20 5 CDBDRO CC1(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[NH2+]C1 ZINC001576541871 1171452079 /nfs/dbraw/zinc/45/20/79/1171452079.db2.gz OVMQSXLQRUPKIV-UHFFFAOYSA-N 1 0 274.280 1.168 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC001579242137 1172123167 /nfs/dbraw/zinc/12/31/67/1172123167.db2.gz JZMFBRVIOXGOCJ-VXGBXAGGSA-N 1 0 293.323 1.459 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CCC[NH2+]CC2)n1 ZINC001579642799 1172232913 /nfs/dbraw/zinc/23/29/13/1172232913.db2.gz WIUQPAYOQLWORB-NSHDSACASA-N 1 0 292.339 1.418 20 5 CDBDRO Cc1noc(CN2C[C@@H]([NH3+])C(C)(C)C2)c1[N+](=O)[O-] ZINC001579923343 1172303046 /nfs/dbraw/zinc/30/30/46/1172303046.db2.gz STXOWSFEFKRQCY-SECBINFHSA-N 1 0 254.290 1.060 20 5 CDBDRO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1F ZINC001580251779 1172385118 /nfs/dbraw/zinc/38/51/18/1172385118.db2.gz NOOYOZHIHSCANL-YMTOWFKASA-N 1 0 293.298 1.687 20 5 CDBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCC12C[NH2+]C2 ZINC001580810065 1172546954 /nfs/dbraw/zinc/54/69/54/1172546954.db2.gz GILYNHMRTCVSAX-UHFFFAOYSA-N 1 0 286.291 1.264 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1CN1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001580875540 1172558455 /nfs/dbraw/zinc/55/84/55/1172558455.db2.gz LLSFLBDWFLBPQW-MNOVXSKESA-N 1 0 279.315 1.775 20 5 CDBDRO C[C@@H]1C[C@@H](C)[NH+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603847629 1175653170 /nfs/dbraw/zinc/65/31/70/1175653170.db2.gz RMYMWCZIXVXRDF-RKDXNWHRSA-N 1 0 288.311 1.758 20 5 CDBDRO CCC1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000233031171 1178200354 /nfs/dbraw/zinc/20/03/54/1178200354.db2.gz QNKNFOPBBSCXCC-GFCCVEGCSA-N 1 0 282.344 1.322 20 5 CDBDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CO1 ZINC000402054965 1186435246 /nfs/dbraw/zinc/43/52/46/1186435246.db2.gz QXIACBHJSBBLLI-SUZMYJTESA-N 1 0 266.297 1.395 20 5 CDBDRO C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cccc(F)c1 ZINC000839463667 782207346 /nfs/dbraw/zinc/20/73/46/782207346.db2.gz ZQUGCYZAXLYBOV-JHJVBQTASA-N 1 0 295.314 1.210 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)CC(N)=O ZINC000866287228 1164762444 /nfs/dbraw/zinc/76/24/44/1164762444.db2.gz KSURRNSWLOPDCM-BDAKNGLRSA-N 1 0 283.303 1.518 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CNC(=O)C1 ZINC000866373705 1164774055 /nfs/dbraw/zinc/77/40/55/1164774055.db2.gz QGFVJKZMKHQZEX-ZJUUUORDSA-N 1 0 295.314 1.391 20 5 CDBDRO O=C(NCCC[NH2+]C1CC1)c1ccccc1[N+](=O)[O-] ZINC000036262674 1165749640 /nfs/dbraw/zinc/74/96/40/1165749640.db2.gz WIWCWVFDKDKBFI-UHFFFAOYSA-N 1 0 263.297 1.467 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]([NH3+])C(C)C ZINC000876534589 782659285 /nfs/dbraw/zinc/65/92/85/782659285.db2.gz CIPUFSRDYZLLFT-NSHDSACASA-N 1 0 279.340 1.925 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000050241698 782791440 /nfs/dbraw/zinc/79/14/40/782791440.db2.gz ZISGCQJRFLORSP-MRVPVSSYSA-N 1 0 250.258 1.160 20 5 CDBDRO C[N@H+](CCO)CCNc1ccc([N+](=O)[O-])cc1F ZINC000884824252 782857359 /nfs/dbraw/zinc/85/73/59/782857359.db2.gz TZURJCGRIDCFBQ-UHFFFAOYSA-N 1 0 257.265 1.070 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CCO ZINC000133013579 783014293 /nfs/dbraw/zinc/01/42/93/783014293.db2.gz NVZUWDOWGTZXAB-VIFPVBQESA-N 1 0 254.286 1.464 20 5 CDBDRO CC1(C)OC[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)O1 ZINC000819153280 783150481 /nfs/dbraw/zinc/15/04/81/783150481.db2.gz AJQCAGANVPRGRT-QWHCGFSZSA-N 1 0 296.323 1.369 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](CF)C1 ZINC000880299818 783152540 /nfs/dbraw/zinc/15/25/40/783152540.db2.gz YBJWMKFJJXBESF-NEPJUHHUSA-N 1 0 298.314 1.626 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923353472 780240315 /nfs/dbraw/zinc/24/03/15/780240315.db2.gz XZMBDGLREJGWBO-FPMFFAJLSA-N 1 0 297.330 1.260 20 5 CDBDRO COC(=O)CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818940643 780257441 /nfs/dbraw/zinc/25/74/41/780257441.db2.gz AUJWZARBOZCHQY-GFCCVEGCSA-N 1 0 282.296 1.171 20 5 CDBDRO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000778256245 780358267 /nfs/dbraw/zinc/35/82/67/780358267.db2.gz ZJNLRZHIHIOUQT-HONMWMINSA-N 1 0 280.324 1.331 20 5 CDBDRO COc1cccc(N2CC[C@@H]([NH3+])[C@@H](C)C2)c1[N+](=O)[O-] ZINC000228227358 780754932 /nfs/dbraw/zinc/75/49/32/780754932.db2.gz FXKHBIPYBYSVEM-VHSXEESVSA-N 1 0 265.313 1.777 20 5 CDBDRO CC1(C)OC[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)O1 ZINC000819153278 780821553 /nfs/dbraw/zinc/82/15/53/780821553.db2.gz AJQCAGANVPRGRT-OLZOCXBDSA-N 1 0 296.323 1.369 20 5 CDBDRO Cc1c(C[NH2+]CCN2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000873150399 780825907 /nfs/dbraw/zinc/82/59/07/780825907.db2.gz ZMYYJZKAODARQQ-CYBMUJFWSA-N 1 0 279.340 1.059 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000261904776 780830910 /nfs/dbraw/zinc/83/09/10/780830910.db2.gz XBRBNUGTMPVJGG-ZJUUUORDSA-N 1 0 292.339 1.295 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000825196379 780854784 /nfs/dbraw/zinc/85/47/84/780854784.db2.gz FOVFRHHYELDIQE-MWLCHTKSSA-N 1 0 295.314 1.900 20 5 CDBDRO CC(C)(CCc1nc([C@@H]2CCC[NH2+]2)no1)[N+](=O)[O-] ZINC000842637304 780935667 /nfs/dbraw/zinc/93/56/67/780935667.db2.gz XFOGTWYKXYZAFI-QMMMGPOBSA-N 1 0 254.290 1.482 20 5 CDBDRO C[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815585372 781008538 /nfs/dbraw/zinc/00/85/38/781008538.db2.gz FRZUKMROJVYTRC-CABZTGNLSA-N 1 0 292.339 1.448 20 5 CDBDRO C[C@@H]([NH2+][C@@H](CCO)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815594709 781092275 /nfs/dbraw/zinc/09/22/75/781092275.db2.gz WLFPBNMNBVFUGR-RNCFNFMXSA-N 1 0 279.340 1.989 20 5 CDBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[C@H]1[NH3+] ZINC000843470815 781095886 /nfs/dbraw/zinc/09/58/86/781095886.db2.gz DKJRFQTVWWPQLT-JOYOIKCWSA-N 1 0 292.339 1.376 20 5 CDBDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CC[N+](=O)[O-])ccc2NC1=O ZINC000791054526 781817034 /nfs/dbraw/zinc/81/70/34/781817034.db2.gz KARFJJDGADNJKF-CABZTGNLSA-N 1 0 293.323 1.723 20 5 CDBDRO C[C@@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C[C@H]1n1ccnc1 ZINC000246632645 781859758 /nfs/dbraw/zinc/85/97/58/781859758.db2.gz OJJVEKRLOZROHL-DGCLKSJQSA-N 1 0 290.327 1.528 20 5 CDBDRO C[NH+](C)CCCOC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000849168707 783244284 /nfs/dbraw/zinc/24/42/84/783244284.db2.gz DPNGZJLHZXZMNN-UHFFFAOYSA-N 1 0 267.285 1.286 20 5 CDBDRO Nc1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000853232204 783322834 /nfs/dbraw/zinc/32/28/34/783322834.db2.gz VTSGOUCMJHWDFO-SNVBAGLBSA-N 1 0 262.313 1.826 20 5 CDBDRO O=[N+]([O-])c1c(F)nccc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000882022038 783488303 /nfs/dbraw/zinc/48/83/03/783488303.db2.gz MKJRRGONNDJPHK-JTQLQIEISA-N 1 0 278.287 1.579 20 5 CDBDRO CCc1ccc(C[NH+]2CCN(CC[N+](=O)[O-])CC2)cc1 ZINC000931686510 783509262 /nfs/dbraw/zinc/50/92/62/783509262.db2.gz MEBJAYLMVOJWLA-UHFFFAOYSA-N 1 0 277.368 1.643 20 5 CDBDRO CC(C)(CCc1noc(CCCC[NH3+])n1)[N+](=O)[O-] ZINC000843233468 783515237 /nfs/dbraw/zinc/51/52/37/783515237.db2.gz LSVQWYRRZKKHPE-UHFFFAOYSA-N 1 0 256.306 1.339 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(C(=O)N(C)C)C1 ZINC001173227059 912320341 /nfs/dbraw/zinc/32/03/41/912320341.db2.gz NEBYAGRSSRBKPQ-LLVKDONJSA-N 1 0 291.351 1.546 20 5 CDBDRO Cc1cc(NC(=O)C[C@H]2CSCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC001122511586 913789455 /nfs/dbraw/zinc/78/94/55/913789455.db2.gz WEBBCMQFCBLLLA-NSHDSACASA-N 1 0 295.364 1.937 20 5 CDBDRO [NH3+]Cc1cccn1-c1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001167595643 896962422 /nfs/dbraw/zinc/96/24/22/896962422.db2.gz IYBQRFZUSYYXGU-UHFFFAOYSA-N 1 0 257.253 1.721 20 5 CDBDRO COc1cc([N+](=O)[O-])c(-n2ccc(C[NH3+])cc2=N)cc1F ZINC001167689723 898190803 /nfs/dbraw/zinc/19/08/03/898190803.db2.gz KKEIUEZOHNMOAX-UHFFFAOYSA-N 1 0 292.270 1.471 20 5 CDBDRO CC(C)(CCO)Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001167740289 899768094 /nfs/dbraw/zinc/76/80/94/899768094.db2.gz XJQMFQUGIKGVLW-UHFFFAOYSA-N 1 0 265.313 1.771 20 5 CDBDRO [NH3+]CCc1nnn(-c2cc3cccnc3c3ncccc23)n1 ZINC001167791841 900801344 /nfs/dbraw/zinc/80/13/44/900801344.db2.gz MTZSDDMHJSCRNJ-UHFFFAOYSA-N 1 0 291.318 1.260 20 5 CDBDRO CCN1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000722358701 901031648 /nfs/dbraw/zinc/03/16/48/901031648.db2.gz DYUFUQBIOWEVKH-ZDUSSCGKSA-N 1 0 277.324 1.695 20 5 CDBDRO C[NH2+][C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000053204438 905948398 /nfs/dbraw/zinc/94/83/98/905948398.db2.gz ULSHBSKKTIOFQS-ZDUSSCGKSA-N 1 0 263.341 1.821 20 5 CDBDRO C[NH2+][C@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000053204219 905948679 /nfs/dbraw/zinc/94/86/79/905948679.db2.gz VLZBGOXJAPQZQM-LBPRGKRZSA-N 1 0 267.304 1.918 20 5 CDBDRO CC1(Nc2ncnc(Cl)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC001168182193 907709406 /nfs/dbraw/zinc/70/94/06/907709406.db2.gz MOKWEDAEBOTVKO-UHFFFAOYSA-N 1 0 271.708 1.592 20 5 CDBDRO [NH3+]Cc1cnn(-c2ncnc3sc([N+](=O)[O-])cc32)c1 ZINC001168258438 908002651 /nfs/dbraw/zinc/00/26/51/908002651.db2.gz UFHHTQKBQLOGQF-UHFFFAOYSA-N 1 0 276.281 1.244 20 5 CDBDRO CC(C)[NH+]1CC(Nc2ccc3c([N+](=O)[O-])c[nH]c3n2)C1 ZINC001168311653 908968002 /nfs/dbraw/zinc/96/80/02/908968002.db2.gz HFLUKQAGUYMORV-UHFFFAOYSA-N 1 0 275.312 1.976 20 5 CDBDRO O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842233375 909591961 /nfs/dbraw/zinc/59/19/61/909591961.db2.gz SLWWWIUTCMECMD-VXGBXAGGSA-N 1 0 269.345 1.080 20 5 CDBDRO [NH3+]CCN(Cc1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000713294039 909613020 /nfs/dbraw/zinc/61/30/20/909613020.db2.gz DIYYCGPJBZJWPA-UHFFFAOYSA-N 1 0 277.246 1.918 20 5 CDBDRO Cc1ccc(N2CC[C@@](O)(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000713678138 909639087 /nfs/dbraw/zinc/63/90/87/909639087.db2.gz QEBGFZWCXJLAEA-CQSZACIVSA-N 1 0 279.340 1.406 20 5 CDBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1ncccc1[N+](=O)[O-] ZINC001171398785 909644166 /nfs/dbraw/zinc/64/41/66/909644166.db2.gz CDGOOVHFBJWKLC-SNVBAGLBSA-N 1 0 286.291 1.848 20 5 CDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCN(C)[C@@H](C)C1 ZINC000843806094 909717819 /nfs/dbraw/zinc/71/78/19/909717819.db2.gz MAVXHPSHNCEIAL-VIFPVBQESA-N 1 0 295.314 1.818 20 5 CDBDRO COc1cc(C)c([N+](=O)[O-])cc1Nc1nccnc1C[NH3+] ZINC001171447612 910640637 /nfs/dbraw/zinc/64/06/37/910640637.db2.gz JMETWCVBQRSGSP-UHFFFAOYSA-N 1 0 289.295 1.904 20 5 CDBDRO CC1(O)C[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172908090 912036604 /nfs/dbraw/zinc/03/66/04/912036604.db2.gz KWJNPVSNDCLWMG-ZDUSSCGKSA-N 1 0 276.336 1.909 20 5 CDBDRO C[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000070078610 917134292 /nfs/dbraw/zinc/13/42/92/917134292.db2.gz LRHWYGZEDCYMMX-UWVGGRQHSA-N 1 0 267.304 1.916 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCCCCCCC2)c1 ZINC000831932962 936547708 /nfs/dbraw/zinc/54/77/08/936547708.db2.gz OJMXGJUYRIWFNX-CQSZACIVSA-N 1 0 296.371 1.808 20 5 CDBDRO CCC1(Nc2cc(F)c(OC)cc2[N+](=O)[O-])C[NH2+]C1 ZINC001168582952 919286626 /nfs/dbraw/zinc/28/66/26/919286626.db2.gz FOTMNCYOTSCCAH-UHFFFAOYSA-N 1 0 269.276 1.906 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000702660731 922587388 /nfs/dbraw/zinc/58/73/88/922587388.db2.gz QCDYZEVYSBSQAU-IONNQARKSA-N 1 0 267.260 1.296 20 5 CDBDRO Cc1c(C[NH2+][C@@H]2CCCN(C)C2=O)cccc1[N+](=O)[O-] ZINC000704365875 922873192 /nfs/dbraw/zinc/87/31/92/922873192.db2.gz FBESWPBERISXPH-GFCCVEGCSA-N 1 0 277.324 1.614 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923293902 923715879 /nfs/dbraw/zinc/71/58/79/923715879.db2.gz ZABMRUITBMXXKB-OLZOCXBDSA-N 1 0 265.313 1.051 20 5 CDBDRO C[NH2+]C[C@@H](C)c1noc(COc2ccccc2[N+](=O)[O-])n1 ZINC000842577977 937062937 /nfs/dbraw/zinc/06/29/37/937062937.db2.gz SIRFUUPHPWKNPS-SECBINFHSA-N 1 0 292.295 1.880 20 5 CDBDRO C[NH2+]C[C@@H](C)c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000843169333 937117537 /nfs/dbraw/zinc/11/75/37/937117537.db2.gz CECFVRKUSQINEZ-SSDOTTSWSA-N 1 0 277.284 1.550 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001324490031 927237847 /nfs/dbraw/zinc/23/78/47/927237847.db2.gz YQMIVCGIPPCSCP-PWSUYJOCSA-N 1 0 262.313 1.439 20 5 CDBDRO COc1ccnc(-n2cc3c(n2)CC[C@H]([NH3+])C3)c1[N+](=O)[O-] ZINC001168807398 927462946 /nfs/dbraw/zinc/46/29/46/927462946.db2.gz GMXIDHFMVHOZLU-VIFPVBQESA-N 1 0 289.295 1.000 20 5 CDBDRO CC(C)c1nc(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)no1 ZINC001168963870 927586390 /nfs/dbraw/zinc/58/63/90/927586390.db2.gz QLABDJKYMJBMSM-MNOVXSKESA-N 1 0 282.344 1.771 20 5 CDBDRO Cn1cc2c(n1)[C@H](C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)OCC2 ZINC001168964690 927586991 /nfs/dbraw/zinc/58/69/91/927586991.db2.gz VHORXTZLLBMDHL-RTXFEEFZSA-N 1 0 294.355 1.069 20 5 CDBDRO CCCCN(C)CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968456 927591521 /nfs/dbraw/zinc/59/15/21/927591521.db2.gz ZFOZCPISLYGHMI-STQMWFEESA-N 1 0 257.378 1.753 20 5 CDBDRO CCn1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168972643 927597581 /nfs/dbraw/zinc/59/75/81/927597581.db2.gz NOMHZHUUNQBTNS-GHMZBOCLSA-N 1 0 252.318 1.438 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1O ZINC001168997484 927602832 /nfs/dbraw/zinc/60/28/32/927602832.db2.gz ZWYBKUXFKWGZKZ-VXGBXAGGSA-N 1 0 280.324 1.936 20 5 CDBDRO CC(=O)OCN1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169004964 927608428 /nfs/dbraw/zinc/60/84/28/927608428.db2.gz SUSFDQSHBATUTJ-TZMCWYRMSA-N 1 0 299.371 1.006 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+](CCO)Cc2ccccc2)C1 ZINC001169009470 927614884 /nfs/dbraw/zinc/61/48/84/927614884.db2.gz WJZHYKWITMVHLX-LSDHHAIUSA-N 1 0 278.352 1.926 20 5 CDBDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@]1(C)O ZINC001169010922 927617194 /nfs/dbraw/zinc/61/71/94/927617194.db2.gz GEAZCCMZVDQICX-YVECIDJPSA-N 1 0 256.346 1.525 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2c(C)cnc2C[NH3+])c1 ZINC001169031031 927639291 /nfs/dbraw/zinc/63/92/91/927639291.db2.gz VOFKKKSINBZBSK-UHFFFAOYSA-N 1 0 290.279 1.334 20 5 CDBDRO Cc1ncc(C[N@@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001169036532 927643522 /nfs/dbraw/zinc/64/35/22/927643522.db2.gz GJRWISAVBQKPCP-WCQYABFASA-N 1 0 264.329 1.662 20 5 CDBDRO Cn1cc2c(n1)CC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169035348 927645299 /nfs/dbraw/zinc/64/52/99/927645299.db2.gz KMHAORQMEOALLF-JQWIXIFHSA-N 1 0 264.329 1.224 20 5 CDBDRO COc1ncnc2c1CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169038048 927646290 /nfs/dbraw/zinc/64/62/90/927646290.db2.gz VIAHNFWONLGGIB-GHMZBOCLSA-N 1 0 292.339 1.289 20 5 CDBDRO COc1ncnc2c1CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169038049 927646829 /nfs/dbraw/zinc/64/68/29/927646829.db2.gz VIAHNFWONLGGIB-MNOVXSKESA-N 1 0 292.339 1.289 20 5 CDBDRO O=C1OCCC12CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169046352 927667422 /nfs/dbraw/zinc/66/74/22/927667422.db2.gz KXOVXRSMGRNBCR-RYUDHWBXSA-N 1 0 282.340 1.461 20 5 CDBDRO CN1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169050041 927669555 /nfs/dbraw/zinc/66/95/55/927669555.db2.gz YJYAOKYRLOILGR-AAVRWANBSA-N 1 0 267.373 1.458 20 5 CDBDRO CC(C)(C)OC(=O)N1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169053562 927671604 /nfs/dbraw/zinc/67/16/04/927671604.db2.gz IRQIDYXKVQWJAT-VXGBXAGGSA-N 1 0 299.371 1.942 20 5 CDBDRO CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169057461 927674605 /nfs/dbraw/zinc/67/46/05/927674605.db2.gz VLILBBRUUOQJKE-YNEHKIRRSA-N 1 0 283.372 1.422 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCCC[C@H]2CO)cc1 ZINC000776579261 927754506 /nfs/dbraw/zinc/75/45/06/927754506.db2.gz LGVQOERTMXKKCC-UONOGXRCSA-N 1 0 280.324 1.475 20 5 CDBDRO C[C@@H]1COCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776593542 927785507 /nfs/dbraw/zinc/78/55/07/927785507.db2.gz LCGHGHKTAYZGFQ-FZMZJTMJSA-N 1 0 280.324 1.597 20 5 CDBDRO [NH3+]Cc1cccc2c1cnn2-c1nccnc1[N+](=O)[O-] ZINC001169194865 927805621 /nfs/dbraw/zinc/80/56/21/927805621.db2.gz NQFOFYNTEIHOGM-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO COC(=O)[C@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000853129749 927957400 /nfs/dbraw/zinc/95/74/00/927957400.db2.gz OVIVSMYWJRUVQT-GVXVVHGQSA-N 1 0 294.307 1.169 20 5 CDBDRO C[C@@H]1CCC[N@@H+]1CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000853390248 928012698 /nfs/dbraw/zinc/01/26/98/928012698.db2.gz RCTMXRNNEMXASY-SECBINFHSA-N 1 0 284.747 1.961 20 5 CDBDRO COc1nc(C)nc(NC(C)(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC001169711000 928365528 /nfs/dbraw/zinc/36/55/28/928365528.db2.gz FEVCEUHQWGRBGI-UHFFFAOYSA-N 1 0 297.359 1.844 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1NCC12CC[NH+](CC1)CC2 ZINC001169794179 928443158 /nfs/dbraw/zinc/44/31/58/928443158.db2.gz GFGARNURYLMZHH-UHFFFAOYSA-N 1 0 291.355 1.929 20 5 CDBDRO [NH3+]CCc1ccn(-c2ncnc3cc([N+](=O)[O-])ccc32)n1 ZINC001156898695 929050535 /nfs/dbraw/zinc/05/05/35/929050535.db2.gz WADDGTUTBWIYPX-UHFFFAOYSA-N 1 0 284.279 1.225 20 5 CDBDRO Cc1cnc(N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001157260252 929390128 /nfs/dbraw/zinc/39/01/28/929390128.db2.gz IQCPCKYANYOSFI-YPMHNXCESA-N 1 0 276.340 1.829 20 5 CDBDRO C[NH+]1CCC(Nc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881772984 929898375 /nfs/dbraw/zinc/89/83/75/929898375.db2.gz LMZMYWNJANJNGW-UHFFFAOYSA-N 1 0 254.265 1.635 20 5 CDBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC001154074901 930183996 /nfs/dbraw/zinc/18/39/96/930183996.db2.gz FMMNKXWIKSBQLZ-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO C[C@@H]1C[C@@H](CO)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000817277302 930481764 /nfs/dbraw/zinc/48/17/64/930481764.db2.gz HKNSPBQKAWUCNX-LALPHHSUSA-N 1 0 294.351 1.579 20 5 CDBDRO C[N@H+](CCO)CCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC000884826232 930639017 /nfs/dbraw/zinc/63/90/17/930639017.db2.gz QHWLZSKWQJQFDS-UHFFFAOYSA-N 1 0 290.323 1.479 20 5 CDBDRO CS[C@H](C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819186690 930769957 /nfs/dbraw/zinc/76/99/57/930769957.db2.gz VKNPAZFDXUVEMZ-SKDRFNHKSA-N 1 0 270.354 1.969 20 5 CDBDRO CON(C)C(=O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000819262552 930783417 /nfs/dbraw/zinc/78/34/17/930783417.db2.gz VTODVNJZGQHDGE-UHFFFAOYSA-N 1 0 281.312 1.403 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000886037605 930792220 /nfs/dbraw/zinc/79/22/20/930792220.db2.gz MFOIIUKAZSPDLV-CYBMUJFWSA-N 1 0 263.297 1.602 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886244833 930838688 /nfs/dbraw/zinc/83/86/88/930838688.db2.gz BFSZCIHEOMCKEM-LTFHWVEDSA-N 1 0 292.335 1.472 20 5 CDBDRO COc1cc(C)nc(NC/C=C/C[NH3+])c1[N+](=O)[O-] ZINC001160977148 932274991 /nfs/dbraw/zinc/27/49/91/932274991.db2.gz QCLFKCZSKBKYEI-ONEGZZNKSA-N 1 0 252.274 1.234 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C/C=C\C2CC2)c1 ZINC001118089892 937589565 /nfs/dbraw/zinc/58/95/65/937589565.db2.gz BLXPNCCWDNBWOP-SFAKSCPVSA-N 1 0 292.335 1.890 20 5 CDBDRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000925153204 932856812 /nfs/dbraw/zinc/85/68/12/932856812.db2.gz KOJAHHYMRSVULR-YPMHNXCESA-N 1 0 291.351 1.784 20 5 CDBDRO COCCN(CC[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000929390844 933231812 /nfs/dbraw/zinc/23/18/12/933231812.db2.gz ANYNERUEJWPDQK-GFCCVEGCSA-N 1 0 252.314 1.973 20 5 CDBDRO COc1cc(N[C@@H](C)C[NH+](C)C)ncc1[N+](=O)[O-] ZINC001155916585 937688673 /nfs/dbraw/zinc/68/86/73/937688673.db2.gz OELYVSXLBIQKIS-QMMMGPOBSA-N 1 0 254.290 1.360 20 5 CDBDRO CC[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000931770668 933621934 /nfs/dbraw/zinc/62/19/34/933621934.db2.gz ATIBVXOFVLQAOB-JTQLQIEISA-N 1 0 254.286 1.464 20 5 CDBDRO CC[N@H+](CCC(=O)NC)Cc1ccc([N+](=O)[O-])cc1 ZINC000933866011 933866382 /nfs/dbraw/zinc/86/63/82/933866382.db2.gz HXGDOIWWHCZYIR-UHFFFAOYSA-N 1 0 265.313 1.553 20 5 CDBDRO O=C(C[NH+]1CCCC1)NCc1ccccc1[N+](=O)[O-] ZINC000048544071 934387542 /nfs/dbraw/zinc/38/75/42/934387542.db2.gz VUAFLHQWHOXLNR-UHFFFAOYSA-N 1 0 263.297 1.307 20 5 CDBDRO CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001019903512 935720069 /nfs/dbraw/zinc/72/00/69/935720069.db2.gz DFKNTYGMOZQEHQ-HAQNSBGRSA-N 1 0 263.297 1.352 20 5 CDBDRO CC(C)=CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001122984010 936097724 /nfs/dbraw/zinc/09/77/24/936097724.db2.gz DWYZUTXONOWNNK-UHFFFAOYSA-N 1 0 277.324 1.767 20 5 CDBDRO C[NH+](C)C[C@@]12C[C@@H]1CN(c1nc(Cl)ncc1[N+](=O)[O-])C2 ZINC001156377036 938360283 /nfs/dbraw/zinc/36/02/83/938360283.db2.gz XUCHMKGGRJQAQS-PRHODGIISA-N 1 0 297.746 1.426 20 5 CDBDRO N=C(Nc1nc(Cl)ncc1[N+](=O)[O-])SCC[NH3+] ZINC001157128364 938457130 /nfs/dbraw/zinc/45/71/30/938457130.db2.gz JFKCWTRVGJPQIJ-UHFFFAOYSA-N 1 0 276.709 1.077 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(NC(=N)SCC[NH3+])n1 ZINC001157129717 938457809 /nfs/dbraw/zinc/45/78/09/938457809.db2.gz SYYCZZLAWJJMEM-UHFFFAOYSA-N 1 0 269.330 1.645 20 5 CDBDRO COc1nc(N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC001157263003 938471314 /nfs/dbraw/zinc/47/13/14/938471314.db2.gz ZVDLXEWSAIYETP-JQWIXIFHSA-N 1 0 292.339 1.529 20 5 CDBDRO COc1cc(C)nc(-n2ccc3c2CC[NH2+]C3)c1[N+](=O)[O-] ZINC001157444378 938492657 /nfs/dbraw/zinc/49/26/57/938492657.db2.gz MQOCWNUKMVTWCO-UHFFFAOYSA-N 1 0 288.307 1.743 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cc(N2C[C@@H]3C[NH2+][C@@H]3C2)n1 ZINC001157619722 938519470 /nfs/dbraw/zinc/51/94/70/938519470.db2.gz IKNHSDQTNSEJBV-POYBYMJQSA-N 1 0 254.677 1.051 20 5 CDBDRO C[C@H]1[C@H]([NH3+])CCCN1c1ncc([N+](=O)[O-])cc1F ZINC001157745388 938539644 /nfs/dbraw/zinc/53/96/44/938539644.db2.gz ZDYKEUZUMYKVTG-OIBJUYFYSA-N 1 0 254.265 1.445 20 5 CDBDRO Cc1nc(Cl)nc(N(C)C(C)(C)C[NH3+])c1[N+](=O)[O-] ZINC001159051528 938697860 /nfs/dbraw/zinc/69/78/60/938697860.db2.gz OFWYGDHZZVNRFI-UHFFFAOYSA-N 1 0 273.724 1.520 20 5 CDBDRO CC(C)([NH3+])CNc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001160031724 938765537 /nfs/dbraw/zinc/76/55/37/938765537.db2.gz CMZCTIQQYVBPFG-UHFFFAOYSA-N 1 0 260.681 1.031 20 5 CDBDRO COc1cnc(-n2cc3ccc(C[NH3+])cc3n2)c([N+](=O)[O-])c1 ZINC001160141242 938771077 /nfs/dbraw/zinc/77/10/77/938771077.db2.gz ZMECPFVEMKGOCI-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO COCCC1([NH3+])CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001162042235 938953777 /nfs/dbraw/zinc/95/37/77/938953777.db2.gz ZRSNHHODMLEVFV-UHFFFAOYSA-N 1 0 298.318 1.463 20 5 CDBDRO [NH3+]Cc1ccnn1-c1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001162590858 939096619 /nfs/dbraw/zinc/09/66/19/939096619.db2.gz GIXSWOUZVJDNRE-UHFFFAOYSA-N 1 0 287.254 1.927 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)c(Cl)c1 ZINC001162790250 939140388 /nfs/dbraw/zinc/14/03/88/939140388.db2.gz RLMNRMXGKPKHMS-POZPLHJXSA-N 1 0 280.715 1.829 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)c(F)c1 ZINC001162794611 939142477 /nfs/dbraw/zinc/14/24/77/939142477.db2.gz QLRSPPOYJYGDKS-OVYXKVPISA-N 1 0 264.260 1.315 20 5 CDBDRO Nc1cc(NC[C@@H]2Cc3ccccc3C[NH2+]2)ncc1[N+](=O)[O-] ZINC001163274218 939237967 /nfs/dbraw/zinc/23/79/67/939237967.db2.gz GOVUMPITJFEYEA-LBPRGKRZSA-N 1 0 299.334 1.698 20 5 CDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N(C)CC[NH3+])n1 ZINC001163686663 939308050 /nfs/dbraw/zinc/30/80/50/939308050.db2.gz DNWDHFNHGOXIOR-UHFFFAOYSA-N 1 0 277.737 1.155 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H](C)CC[C@@H]2C[NH3+])n1 ZINC001164066873 939404066 /nfs/dbraw/zinc/40/40/66/939404066.db2.gz ARVAXHZXAOXUKT-PSASIEDQSA-N 1 0 295.343 1.265 20 5 CDBDRO COc1cnc(N2C[C@H](C)CC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001164069369 939404623 /nfs/dbraw/zinc/40/46/23/939404623.db2.gz JWINVHVJXMWASW-NXEZZACHSA-N 1 0 280.328 1.562 20 5 CDBDRO C[C@]1(C[NH3+])CCCN(c2cc([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001164241007 939439008 /nfs/dbraw/zinc/43/90/08/939439008.db2.gz ABLFCZNTJHHUFG-ZDUSSCGKSA-N 1 0 280.328 1.184 20 5 CDBDRO [NH3+][C@@H]1CCN(c2nccc(Br)c2[N+](=O)[O-])C1 ZINC001164286710 939447127 /nfs/dbraw/zinc/44/71/27/939447127.db2.gz WHLZNIHRURAMLJ-ZCFIWIBFSA-N 1 0 287.117 1.290 20 5 CDBDRO CC(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164494922 939479462 /nfs/dbraw/zinc/47/94/62/939479462.db2.gz YNLDQCDXLNLYID-CHWSQXEVSA-N 1 0 297.399 1.574 20 5 CDBDRO COc1cc(C)nc(N(C)CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001165140129 939516140 /nfs/dbraw/zinc/51/61/40/939516140.db2.gz HYIHDUTVEPSACY-UHFFFAOYSA-N 1 0 294.355 1.839 20 5 CDBDRO C[NH+]1C[C@@H]2CN(c3nccc(Cl)c3[N+](=O)[O-])C[C@H]2C1 ZINC001165144471 939517139 /nfs/dbraw/zinc/51/71/39/939517139.db2.gz IINZJESRQJUNCB-RKDXNWHRSA-N 1 0 282.731 1.641 20 5 CDBDRO [NH3+]C[C@H]1CN(c2ccc3ccc4cccnc4c3n2)CCO1 ZINC001166938213 939653929 /nfs/dbraw/zinc/65/39/29/939653929.db2.gz UKDYPLQNKRJFAR-AWEZNQCLSA-N 1 0 294.358 1.947 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N(C)C2C[NH2+]C2)n1 ZINC001166978733 939666086 /nfs/dbraw/zinc/66/60/86/939666086.db2.gz ZRSGKIQXGXCBTI-UHFFFAOYSA-N 1 0 256.693 1.360 20 5 CDBDRO C[NH+](C)CCn1cc(Nc2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC001209932994 940652524 /nfs/dbraw/zinc/65/25/24/940652524.db2.gz WGHPYAIZLHOEIQ-UHFFFAOYSA-N 1 0 290.327 1.679 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401222261 940865647 /nfs/dbraw/zinc/86/56/47/940865647.db2.gz VGQXUVRUWPEMFJ-IUCAKERBSA-N 1 0 254.265 1.811 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCOCC2)cc1O[C@H]1CC[NH2+]C1 ZINC001218182746 941042836 /nfs/dbraw/zinc/04/28/36/941042836.db2.gz FDKNHTGWRIHOFF-LBPRGKRZSA-N 1 0 293.323 1.172 20 5 CDBDRO C[C@H]1CC[C@H](Oc2ccc(N)c([N+](=O)[O-])c2)C[NH2+]1 ZINC001218407312 941213578 /nfs/dbraw/zinc/21/35/78/941213578.db2.gz LTKCXAZMUGGUFT-WPRPVWTQSA-N 1 0 251.286 1.696 20 5 CDBDRO C[C@H]1CC[C@@H](Oc2ccc(N)c([N+](=O)[O-])c2)C[NH2+]1 ZINC001218407310 941213812 /nfs/dbraw/zinc/21/38/12/941213812.db2.gz LTKCXAZMUGGUFT-WCBMZHEXSA-N 1 0 251.286 1.696 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)O[C@@H]1CCc2ccccc21 ZINC001223417717 941676049 /nfs/dbraw/zinc/67/60/49/941676049.db2.gz BODWWVFMYBWYLS-UKRRQHHQSA-N 1 0 278.372 1.674 20 5 CDBDRO C=C(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1ccccc1 ZINC001223638226 941689137 /nfs/dbraw/zinc/68/91/37/941689137.db2.gz BZWWXHWWYFVHJJ-CQSZACIVSA-N 1 0 264.345 1.658 20 5 CDBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCc3nccn3C2)nc1 ZINC001225634737 941892210 /nfs/dbraw/zinc/89/22/10/941892210.db2.gz NLZBFENLHIKRLA-SNVBAGLBSA-N 1 0 260.253 1.580 20 5 CDBDRO Cc1ccc(O)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001227535830 942184872 /nfs/dbraw/zinc/18/48/72/942184872.db2.gz DUXIJULLJATLIF-LLVKDONJSA-O 1 0 268.333 1.063 20 5 CDBDRO Cc1[nH]c(=O)cc(O[C@@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001228687045 942357545 /nfs/dbraw/zinc/35/75/45/942357545.db2.gz TZEMHYUXODDOKH-MRVPVSSYSA-N 1 0 253.258 1.087 20 5 CDBDRO COC(=O)c1cc2c(c(O[C@@H](C)C[N+](C)(C)C)c1)OCO2 ZINC001229688994 942512773 /nfs/dbraw/zinc/51/27/73/942512773.db2.gz VDZKWFHNDKJRHT-JTQLQIEISA-N 1 0 296.343 1.675 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@H]1CC[N@H+](C)C1 ZINC001229957855 942558317 /nfs/dbraw/zinc/55/83/17/942558317.db2.gz MLPGDKFIWZIPGL-JTQLQIEISA-N 1 0 294.307 1.773 20 5 CDBDRO COC(=O)c1c(O[C@H](C)C[N+](C)(C)C)ccn1C ZINC001233787307 943659247 /nfs/dbraw/zinc/65/92/47/943659247.db2.gz HHOLSZLSWZHICT-SNVBAGLBSA-N 1 0 255.338 1.285 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261458992 946127990 /nfs/dbraw/zinc/12/79/90/946127990.db2.gz UAJHWFJXFVJXNT-NOZJJQNGSA-N 1 0 275.308 1.435 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC(=O)N1 ZINC001254534745 947516441 /nfs/dbraw/zinc/51/64/41/947516441.db2.gz CMGKOOYFQFDVQV-CMPLNLGQSA-N 1 0 277.324 1.394 20 5 CDBDRO CC(=O)N1CC([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254541613 947517653 /nfs/dbraw/zinc/51/76/53/947517653.db2.gz IBGCXGHMKUKWKY-SNVBAGLBSA-N 1 0 277.324 1.346 20 5 CDBDRO CC(C)CNC(=O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254539678 947518491 /nfs/dbraw/zinc/51/84/91/947518491.db2.gz JDRYSGHYHGIBLQ-LBPRGKRZSA-N 1 0 293.367 1.888 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001254552256 947521630 /nfs/dbraw/zinc/52/16/30/947521630.db2.gz JNDDNKONRFOAED-KYOSRNDESA-N 1 0 294.351 1.201 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCCCCO)C2 ZINC001254569883 947530457 /nfs/dbraw/zinc/53/04/57/947530457.db2.gz ZUEIWUBWWBFWCB-CYBMUJFWSA-N 1 0 264.325 1.814 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cnco1)C2 ZINC001254576871 947534681 /nfs/dbraw/zinc/53/46/81/947534681.db2.gz ALORGMBKYVCUJT-LLVKDONJSA-N 1 0 259.265 1.840 20 5 CDBDRO C[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1O ZINC001254592735 947543505 /nfs/dbraw/zinc/54/35/05/947543505.db2.gz GHMHFOUCQPNNKC-WKPIXPDZSA-N 1 0 276.336 1.765 20 5 CDBDRO CNC(=O)CC[N@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599066 947550671 /nfs/dbraw/zinc/55/06/71/947550671.db2.gz JYLNRXIHGVJZCG-ZDUSSCGKSA-N 1 0 277.324 1.130 20 5 CDBDRO CNC(=O)CC[N@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599065 947551376 /nfs/dbraw/zinc/55/13/76/947551376.db2.gz JYLNRXIHGVJZCG-CYBMUJFWSA-N 1 0 277.324 1.130 20 5 CDBDRO CC[N@H+](C1CN(C)C1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254612875 947556533 /nfs/dbraw/zinc/55/65/33/947556533.db2.gz ZYBQKFHNNQYFPP-CQSZACIVSA-N 1 0 275.352 1.698 20 5 CDBDRO CCC1([NH3+])CN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001246896317 948505895 /nfs/dbraw/zinc/50/58/95/948505895.db2.gz WSJONIDYVROREI-NSHDSACASA-N 1 0 293.367 1.958 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@@H]21 ZINC001246922891 948523250 /nfs/dbraw/zinc/52/32/50/948523250.db2.gz XFDPVJBXSQXUQT-QKCSRTOESA-N 1 0 261.325 1.429 20 5 CDBDRO [NH3+]CCCCCc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247625516 948687729 /nfs/dbraw/zinc/68/77/29/948687729.db2.gz YIDLYZLJVZOPET-UHFFFAOYSA-N 1 0 295.274 1.850 20 5 CDBDRO C[NH2+]C1(CNc2ncc([N+](=O)[O-])c(C)n2)CCC1 ZINC001328481549 955306219 /nfs/dbraw/zinc/30/62/19/955306219.db2.gz FRAKOLSCSBWCDB-UHFFFAOYSA-N 1 0 251.290 1.247 20 5 CDBDRO CNC(=O)CC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001308260783 956503740 /nfs/dbraw/zinc/50/37/40/956503740.db2.gz MYDUBQNRNZARDZ-UHFFFAOYSA-N 1 0 279.340 1.944 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@@H](C)C[C@@H](C)O)c1[N+](=O)[O-] ZINC001308637574 956554766 /nfs/dbraw/zinc/55/47/66/956554766.db2.gz MOIHELFKGGZZQF-DTWKUNHWSA-N 1 0 284.312 1.558 20 5 CDBDRO C[C@@H](CNc1c([N+](=O)[O-])cnn1C)C[NH+]1CCCC1 ZINC001333679849 958508354 /nfs/dbraw/zinc/50/83/54/958508354.db2.gz XVYSLYHDMQEUAY-JTQLQIEISA-N 1 0 267.333 1.472 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C)[C@H](C)C2)c1C ZINC001333998139 958751919 /nfs/dbraw/zinc/75/19/19/958751919.db2.gz BSKZPUTVRJHHKM-LLVKDONJSA-N 1 0 291.351 1.988 20 5 CDBDRO CC(=O)OC[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC001334202233 958931354 /nfs/dbraw/zinc/93/13/54/958931354.db2.gz XXPVMSYHWHMOSL-JTQLQIEISA-N 1 0 266.297 1.679 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001322149483 960112143 /nfs/dbraw/zinc/11/21/43/960112143.db2.gz WIGZPQZETOTPAK-CQSZACIVSA-N 1 0 289.335 1.921 20 5 CDBDRO CN(CCc1cccc([N+](=O)[O-])c1)c1nccnc1C[NH3+] ZINC001336637787 960434168 /nfs/dbraw/zinc/43/41/68/960434168.db2.gz KNKKDRNYBWAARY-UHFFFAOYSA-N 1 0 287.323 1.522 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(c2cc(N)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC001337093127 960929319 /nfs/dbraw/zinc/92/93/19/960929319.db2.gz XSOVIFUDFJKLQC-VHSXEESVSA-N 1 0 279.344 1.491 20 5 CDBDRO CO[C@]1(C(F)(F)F)CCCN(CC[N+](=O)[O-])C1 ZINC001341265142 963343769 /nfs/dbraw/zinc/34/37/69/963343769.db2.gz HRXSVDCXUBTJCO-MRVPVSSYSA-N 1 0 256.224 1.306 20 5 CDBDRO [NH3+][C@H]1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC001342067027 963626323 /nfs/dbraw/zinc/62/63/23/963626323.db2.gz UYONPBDVEFGPHG-KYZUINATSA-N 1 0 269.688 1.468 20 5 CDBDRO CC(C)C[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[NH+](C)C ZINC001348531036 966044346 /nfs/dbraw/zinc/04/43/46/966044346.db2.gz CHYNZIGDFHLVLB-SECBINFHSA-N 1 0 283.332 1.024 20 5 CDBDRO [NH2+]=C(NCCOc1ccc([N+](=O)[O-])cc1)NCC1CCC1 ZINC000849007421 969401048 /nfs/dbraw/zinc/40/10/48/969401048.db2.gz MFXBTQNOYMADTR-UHFFFAOYSA-N 1 0 292.339 1.888 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1C[NH+]2CCC1CC2 ZINC000091556101 1174298292 /nfs/dbraw/zinc/29/82/92/1174298292.db2.gz RQXVOCQEXRLYCC-LLVKDONJSA-N 1 0 279.344 1.626 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H](CC[NH3+])C1 ZINC000091556754 1174299201 /nfs/dbraw/zinc/29/92/01/1174299201.db2.gz MMPSESGBJOKZSV-LLVKDONJSA-N 1 0 281.360 1.685 20 5 CDBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC001575543125 1171197596 /nfs/dbraw/zinc/19/75/96/1171197596.db2.gz VKROSSVONUAQQL-SECBINFHSA-N 1 0 280.328 1.280 20 5 CDBDRO C[C@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC001576747493 1171505254 /nfs/dbraw/zinc/50/52/54/1171505254.db2.gz BPAOSUUVMKZPRQ-GZMMTYOYSA-N 1 0 278.312 1.504 20 5 CDBDRO C[C@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)CC[C@@H]1C[NH3+] ZINC001576811687 1171529151 /nfs/dbraw/zinc/52/91/51/1171529151.db2.gz IBNVZJNEMMUPPH-VHSXEESVSA-N 1 0 297.330 1.647 20 5 CDBDRO C[NH2+]CCCNc1c2cc(OC)ccc2ncc1[N+](=O)[O-] ZINC001578690534 1171980906 /nfs/dbraw/zinc/98/09/06/1171980906.db2.gz ARVVFMRNZLABGW-UHFFFAOYSA-N 1 0 290.323 1.595 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601016289 342458178 /nfs/dbraw/zinc/45/81/78/342458178.db2.gz JHPIFKBIFIVROM-SECBINFHSA-N 1 0 293.298 1.700 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601166525 342485118 /nfs/dbraw/zinc/48/51/18/342485118.db2.gz PFRGOIRATCRZRT-SECBINFHSA-N 1 0 283.303 1.804 20 5 CDBDRO [NH3+]C1(CC(=O)NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000094294227 342476635 /nfs/dbraw/zinc/47/66/35/342476635.db2.gz FFIYYGUJXZPGRX-UHFFFAOYSA-N 1 0 263.297 1.483 20 5 CDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000590403867 342544063 /nfs/dbraw/zinc/54/40/63/342544063.db2.gz OYLSOHQRBYAZHZ-GWCFXTLKSA-N 1 0 277.324 1.759 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCN2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000601330414 342554778 /nfs/dbraw/zinc/55/47/78/342554778.db2.gz TWENFGVHQZPYNM-TXEJJXNPSA-N 1 0 277.324 1.410 20 5 CDBDRO CNc1ccc(C(=O)N(C)C[C@@H]2CC[NH2+]2)cc1[N+](=O)[O-] ZINC001578755464 1171996825 /nfs/dbraw/zinc/99/68/25/1171996825.db2.gz XZXRAHKTRMNJGU-JTQLQIEISA-N 1 0 278.312 1.070 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC000590703688 342582499 /nfs/dbraw/zinc/58/24/99/342582499.db2.gz SFXIDIMZCSQQOV-SNVBAGLBSA-N 1 0 265.317 1.224 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H]2CC=CCC2)c1 ZINC000125091788 187169300 /nfs/dbraw/zinc/16/93/00/187169300.db2.gz IEEZUHCOAGRVQA-NSHDSACASA-N 1 0 250.302 1.737 20 5 CDBDRO COCC[N@@H+]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000591146719 342618549 /nfs/dbraw/zinc/61/85/49/342618549.db2.gz VCVIXIJRMRTPCZ-SNVBAGLBSA-N 1 0 298.318 1.652 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1CNC1CC[NH2+]CC1)OCCO2 ZINC000591275081 342623894 /nfs/dbraw/zinc/62/38/94/342623894.db2.gz RBOQXZDPOQSHTR-UHFFFAOYSA-N 1 0 293.323 1.208 20 5 CDBDRO O=[N+]([O-])c1cccc(CN2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000591448453 342632760 /nfs/dbraw/zinc/63/27/60/342632760.db2.gz IBPKKXYRURQJQJ-OCCSQVGLSA-N 1 0 261.325 1.779 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591449356 342633014 /nfs/dbraw/zinc/63/30/14/342633014.db2.gz VZQNGNBIEHDHPM-YPMHNXCESA-N 1 0 261.325 1.779 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@H]4CC[NH2+][C@@H]4C3)nc2c1 ZINC000591438114 342632031 /nfs/dbraw/zinc/63/20/31/342632031.db2.gz LAMHZXWTJLMSNW-NOZJJQNGSA-N 1 0 287.323 1.659 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591439674 342632097 /nfs/dbraw/zinc/63/20/97/342632097.db2.gz XRWUZCIHYWKLOR-QWRGUYRKSA-N 1 0 279.344 1.308 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCC[C@@H]2F)c1 ZINC000591767851 342645997 /nfs/dbraw/zinc/64/59/97/342645997.db2.gz UHYQDXATVVOHME-FPMFFAJLSA-N 1 0 298.314 1.815 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C)([NH3+])CC1 ZINC000592330765 342685319 /nfs/dbraw/zinc/68/53/19/342685319.db2.gz DFPYAFFWBNUBNZ-UHFFFAOYSA-N 1 0 293.323 1.557 20 5 CDBDRO Cc1c(NC(=O)[C@@H](C)N(C)CCC[NH3+])cccc1[N+](=O)[O-] ZINC000592473625 342698500 /nfs/dbraw/zinc/69/85/00/342698500.db2.gz JCBQJANZDQZVKK-LLVKDONJSA-N 1 0 294.355 1.511 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C)([NH3+])CC1 ZINC000592543458 342708771 /nfs/dbraw/zinc/70/87/71/342708771.db2.gz BJPGEEMVHQNSKR-UHFFFAOYSA-N 1 0 277.324 1.857 20 5 CDBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000593187566 342776443 /nfs/dbraw/zinc/77/64/43/342776443.db2.gz LYIVVDUVQDNPKB-HBNTYKKESA-N 1 0 294.355 1.486 20 5 CDBDRO Cc1ccc(C[NH2+][C@H](CO)CCF)cc1[N+](=O)[O-] ZINC000593690181 342823331 /nfs/dbraw/zinc/82/33/31/342823331.db2.gz UNFIODXYWKNUJQ-NSHDSACASA-N 1 0 256.277 1.713 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000382462917 361932158 /nfs/dbraw/zinc/93/21/58/361932158.db2.gz XUYZTGXLXXOIPJ-GHMZBOCLSA-N 1 0 277.324 1.760 20 5 CDBDRO CC(C)C(=O)NCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594490712 342913560 /nfs/dbraw/zinc/91/35/60/342913560.db2.gz QTCSTOVXVBHJGM-CYBMUJFWSA-N 1 0 291.351 1.944 20 5 CDBDRO O=[N+]([O-])c1ncccc1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000609384354 342267853 /nfs/dbraw/zinc/26/78/53/342267853.db2.gz MVGLRSHYFWHVFY-NSHDSACASA-N 1 0 262.313 1.886 20 5 CDBDRO Cc1cc(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000127834160 342286691 /nfs/dbraw/zinc/28/66/91/342286691.db2.gz HDGUWLLTIWSYCJ-ZWNOBZJWSA-N 1 0 293.323 1.091 20 5 CDBDRO CC[C@H](C)CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000594718191 342947611 /nfs/dbraw/zinc/94/76/11/342947611.db2.gz KRTWBSJWXLABNN-CMPLNLGQSA-N 1 0 270.333 1.178 20 5 CDBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(CO)CC1 ZINC000594964906 342990636 /nfs/dbraw/zinc/99/06/36/342990636.db2.gz CUZYZMSGNCSZRI-JTQLQIEISA-N 1 0 250.298 1.845 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCO ZINC000595006135 342989273 /nfs/dbraw/zinc/98/92/73/342989273.db2.gz HXASBMWPWPQVCW-VIFPVBQESA-N 1 0 254.286 1.636 20 5 CDBDRO C[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000401961555 349729170 /nfs/dbraw/zinc/72/91/70/349729170.db2.gz XBKGCPVBVQGFOD-CMPLNLGQSA-N 1 0 250.298 1.904 20 5 CDBDRO Cc1noc(CN2CCC[C@H]([C@@H](C)O)C2)c1[N+](=O)[O-] ZINC000595388326 343052937 /nfs/dbraw/zinc/05/29/37/343052937.db2.gz GSJKMLBBYGKLQT-ZJUUUORDSA-N 1 0 269.301 1.484 20 5 CDBDRO CCC(CC)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)[NH+](C)C ZINC000076267763 342320242 /nfs/dbraw/zinc/32/02/42/342320242.db2.gz NFMMTRGKCQLKMD-SNVBAGLBSA-N 1 0 296.375 1.745 20 5 CDBDRO CC[C@@H](CO)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595508397 343080820 /nfs/dbraw/zinc/08/08/20/343080820.db2.gz XFGHDKJJQXQCNA-NSHDSACASA-N 1 0 256.277 1.937 20 5 CDBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000595767520 343146241 /nfs/dbraw/zinc/14/62/41/343146241.db2.gz YIRRKVZDCVEORV-BXUZGUMPSA-N 1 0 264.325 1.983 20 5 CDBDRO COC[C@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000069911778 342347228 /nfs/dbraw/zinc/34/72/28/342347228.db2.gz NYLIFLKTPGMORW-GFCCVEGCSA-N 1 0 254.286 1.082 20 5 CDBDRO Cc1c(C(=O)NCC2([NH3+])CCCC2)cccc1[N+](=O)[O-] ZINC000595940313 343203240 /nfs/dbraw/zinc/20/32/40/343203240.db2.gz CICIJWHYNRWZGB-UHFFFAOYSA-N 1 0 277.324 1.905 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000595982371 343210689 /nfs/dbraw/zinc/21/06/89/343210689.db2.gz JEODLKMCSPRYJV-VIFPVBQESA-N 1 0 251.286 1.241 20 5 CDBDRO C[NH+](C)CC1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596083374 343220272 /nfs/dbraw/zinc/22/02/72/343220272.db2.gz UAGPKDBZQNZDNN-UHFFFAOYSA-N 1 0 280.328 1.473 20 5 CDBDRO C[NH2+]C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000596103119 343227567 /nfs/dbraw/zinc/22/75/67/343227567.db2.gz AKDRDLFYZIUNAY-MRVPVSSYSA-N 1 0 257.721 1.946 20 5 CDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[C@@H](C)[NH+](C)C ZINC000596433920 343320165 /nfs/dbraw/zinc/32/01/65/343320165.db2.gz VRZKQIBJVIFOOW-SNVBAGLBSA-N 1 0 294.355 1.707 20 5 CDBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000596486855 343328903 /nfs/dbraw/zinc/32/89/03/343328903.db2.gz APVTYLZPYYYVQT-NSHDSACASA-N 1 0 293.371 1.526 20 5 CDBDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000597242981 343481170 /nfs/dbraw/zinc/48/11/70/343481170.db2.gz OTCDQHUPYPKBDK-XYPYZODXSA-N 1 0 294.307 1.645 20 5 CDBDRO C[C@H](C(=O)N1CC(C[NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000597707844 343605588 /nfs/dbraw/zinc/60/55/88/343605588.db2.gz HGGVLJIXOQULID-NSHDSACASA-N 1 0 291.351 1.718 20 5 CDBDRO Cc1cccc(C(=O)N2CC(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000597707285 343605641 /nfs/dbraw/zinc/60/56/41/343605641.db2.gz CIPWYORDSZMFJR-UHFFFAOYSA-N 1 0 277.324 1.537 20 5 CDBDRO CCC(CC)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000111831200 365796763 /nfs/dbraw/zinc/79/67/63/365796763.db2.gz QTAQVOMRHAQQIA-UHFFFAOYSA-N 1 0 268.317 1.181 20 5 CDBDRO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000597993943 343683723 /nfs/dbraw/zinc/68/37/23/343683723.db2.gz WJGLKUVTDVTDIU-VIFPVBQESA-N 1 0 283.303 1.804 20 5 CDBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000598739406 343892972 /nfs/dbraw/zinc/89/29/72/343892972.db2.gz YBHNCWHJFFQLEN-UHFFFAOYSA-N 1 0 283.332 1.168 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598912909 343919193 /nfs/dbraw/zinc/91/91/93/343919193.db2.gz CUJXPTUYCMSNSP-IUCAKERBSA-N 1 0 296.302 1.983 20 5 CDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000598915990 343920047 /nfs/dbraw/zinc/92/00/47/343920047.db2.gz SCMUAOPMNVQMNW-QMTHXVAHSA-N 1 0 290.323 1.940 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCN1CC[C@@H](O)C1 ZINC000599085123 343950799 /nfs/dbraw/zinc/95/07/99/343950799.db2.gz MVGYBUJGXXYEMG-RISCZKNCSA-N 1 0 291.351 1.238 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CC[C@H](O)C1 ZINC000599091519 343952142 /nfs/dbraw/zinc/95/21/42/343952142.db2.gz BAZDXBQWTZJMSG-JSGCOSHPSA-N 1 0 293.367 1.620 20 5 CDBDRO COc1ccc(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1[N+](=O)[O-] ZINC000601561500 344192053 /nfs/dbraw/zinc/19/20/53/344192053.db2.gz AIANDEQPGUWXKF-UWVGGRQHSA-N 1 0 292.295 1.181 20 5 CDBDRO C[NH+](C)CC1(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000602070847 344332694 /nfs/dbraw/zinc/33/26/94/344332694.db2.gz IJYGUSLFZFXQOS-UHFFFAOYSA-N 1 0 277.324 1.553 20 5 CDBDRO [NH3+]C1CCC(NC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000602433325 344424782 /nfs/dbraw/zinc/42/47/82/344424782.db2.gz RMROGTNCDAIVSY-UHFFFAOYSA-N 1 0 281.287 1.734 20 5 CDBDRO CCc1ccc(C(=O)N2C[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000602597089 344503362 /nfs/dbraw/zinc/50/33/62/344503362.db2.gz UOEGHVUBTUQPTI-BXKDBHETSA-N 1 0 277.324 1.719 20 5 CDBDRO CSc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1[N+](=O)[O-] ZINC000602601388 344505465 /nfs/dbraw/zinc/50/54/65/344505465.db2.gz LGEXYKDYWKHDFH-UWVGGRQHSA-N 1 0 293.348 1.503 20 5 CDBDRO COC[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602582411 344476335 /nfs/dbraw/zinc/47/63/35/344476335.db2.gz OEBOHDJNLIBYBN-MRVPVSSYSA-N 1 0 265.269 1.861 20 5 CDBDRO C[C@@H](CO[C@H]1CCOC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602566949 344483349 /nfs/dbraw/zinc/48/33/49/344483349.db2.gz GNVHWPOQKGEKCM-WFASDCNBSA-N 1 0 294.351 1.921 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000154570382 529994786 /nfs/dbraw/zinc/99/47/86/529994786.db2.gz HCLORQNTBQPTMT-NSHDSACASA-N 1 0 294.355 1.369 20 5 CDBDRO C[C@H]1[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343516066 362490972 /nfs/dbraw/zinc/49/09/72/362490972.db2.gz KNIUTDNPKHPKBK-AAEUAGOBSA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000128576567 344684588 /nfs/dbraw/zinc/68/45/88/344684588.db2.gz QZLIJXDBHVLLNV-ZANVPECISA-N 1 0 299.758 1.796 20 5 CDBDRO O=[N+]([O-])c1cncc(Cl)c1NC[C@H]1CSCC[NH2+]1 ZINC000603417765 344807669 /nfs/dbraw/zinc/80/76/69/344807669.db2.gz AGRXQIIEWOFXLZ-ZETCQYMHSA-N 1 0 288.760 1.182 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000311703098 344816178 /nfs/dbraw/zinc/81/61/78/344816178.db2.gz MJHQCSWYPUDHKP-LLVKDONJSA-N 1 0 268.313 1.675 20 5 CDBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000344306971 362562332 /nfs/dbraw/zinc/56/23/32/362562332.db2.gz HEEXFZOCGTVKRW-UHFFFAOYSA-N 1 0 295.314 1.900 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000237472515 345163322 /nfs/dbraw/zinc/16/33/22/345163322.db2.gz CMTJQEQZLUTRFK-YPMHNXCESA-N 1 0 291.351 1.866 20 5 CDBDRO CC[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000159785290 345269948 /nfs/dbraw/zinc/26/99/48/345269948.db2.gz SFNYDBKFHLXJLC-JOYOIKCWSA-N 1 0 295.314 1.933 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC000075769305 345609088 /nfs/dbraw/zinc/60/90/88/345609088.db2.gz ONPGJNGZVARSGT-BNOWGMLFSA-N 1 0 294.355 1.417 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000424048665 535022405 /nfs/dbraw/zinc/02/24/05/535022405.db2.gz RVPRUSBIJJGJGZ-UHFFFAOYSA-N 1 0 281.312 1.217 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000127549408 187314477 /nfs/dbraw/zinc/31/44/77/187314477.db2.gz PDPFQIJYOPJEKT-OLZOCXBDSA-N 1 0 289.335 1.490 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000610447626 346284227 /nfs/dbraw/zinc/28/42/27/346284227.db2.gz CNLWMIJLMVFXOO-LBPRGKRZSA-N 1 0 290.327 1.325 20 5 CDBDRO C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000148419502 362693180 /nfs/dbraw/zinc/69/31/80/362693180.db2.gz OFWQZJYWWLINDG-OCAPTIKFSA-N 1 0 270.720 1.830 20 5 CDBDRO COC[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000610615579 346323287 /nfs/dbraw/zinc/32/32/87/346323287.db2.gz RSUIGXISQBCSIV-LBPRGKRZSA-N 1 0 293.323 1.305 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cccc(F)c2)c1 ZINC000037884551 346369567 /nfs/dbraw/zinc/36/95/67/346369567.db2.gz WWUBLMRYQLTYRH-CYBMUJFWSA-N 1 0 294.286 1.081 20 5 CDBDRO C[NH+](C)CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000610764490 346399085 /nfs/dbraw/zinc/39/90/85/346399085.db2.gz ZKYYRJFFSLKTQV-GFCCVEGCSA-N 1 0 280.328 1.147 20 5 CDBDRO Cc1ccnc(N2CC[C@@H](OCC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000610764449 346399450 /nfs/dbraw/zinc/39/94/50/346399450.db2.gz OSWOMRVVSHPYCJ-GFCCVEGCSA-N 1 0 294.355 1.455 20 5 CDBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@H]1C ZINC000611084421 346603718 /nfs/dbraw/zinc/60/37/18/346603718.db2.gz VPDBTDARMTVJKJ-SNVBAGLBSA-N 1 0 250.302 1.520 20 5 CDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000611299156 346740752 /nfs/dbraw/zinc/74/07/52/346740752.db2.gz SEQZGPFQGVHSDW-VHSXEESVSA-N 1 0 250.302 1.519 20 5 CDBDRO Cc1nn(C)c(NC[C@@]2(C)CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000129341740 362793447 /nfs/dbraw/zinc/79/34/47/362793447.db2.gz PINMBROKDMIRMN-LBPRGKRZSA-N 1 0 267.333 1.438 20 5 CDBDRO CC(=O)N1CC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000152887316 347629580 /nfs/dbraw/zinc/62/95/80/347629580.db2.gz XEZGQYQYGTTYHB-SNVBAGLBSA-N 1 0 269.326 1.367 20 5 CDBDRO O=[N+]([O-])c1cccc(-n2cc(C[NH2+]C3CC3)nn2)c1 ZINC000090299966 347651690 /nfs/dbraw/zinc/65/16/90/347651690.db2.gz PWEBFGCOPQVHGY-UHFFFAOYSA-N 1 0 259.269 1.428 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[C@H]1[NH3+] ZINC000122541222 347654430 /nfs/dbraw/zinc/65/44/30/347654430.db2.gz LTDYNGWDYWWJIZ-PSASIEDQSA-N 1 0 266.301 1.122 20 5 CDBDRO CC[NH+](CC)CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000086962134 179369666 /nfs/dbraw/zinc/36/96/66/179369666.db2.gz HYHCXLYTHOIPAW-UHFFFAOYSA-N 1 0 293.367 1.985 20 5 CDBDRO COc1cc(CNC[C@@H]2CCCC[NH2+]2)c([N+](=O)[O-])cc1O ZINC001579153230 1172107969 /nfs/dbraw/zinc/10/79/69/1172107969.db2.gz UJANBXHFJWVESG-NSHDSACASA-N 1 0 295.339 1.541 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000089106311 179701477 /nfs/dbraw/zinc/70/14/77/179701477.db2.gz ZBJLMZGJXXSMCE-GXTWGEPZSA-N 1 0 291.351 1.771 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+](C)C)c1 ZINC000266075255 362937564 /nfs/dbraw/zinc/93/75/64/362937564.db2.gz YUZKUAJXZXPCNL-UHFFFAOYSA-N 1 0 265.313 1.585 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000072521818 349123568 /nfs/dbraw/zinc/12/35/68/349123568.db2.gz QYMIQLSVRUOSBT-HNNXBMFYSA-N 1 0 291.351 1.896 20 5 CDBDRO C[NH+]1CCC(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000074067114 349198042 /nfs/dbraw/zinc/19/80/42/349198042.db2.gz BFRVKYNHLNOOEJ-UHFFFAOYSA-N 1 0 291.351 1.595 20 5 CDBDRO CSCC[C@@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090554440 180002263 /nfs/dbraw/zinc/00/22/63/180002263.db2.gz HIBULXARLJIFKC-LLVKDONJSA-N 1 0 299.396 1.830 20 5 CDBDRO COC[C@H](O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090950241 180071607 /nfs/dbraw/zinc/07/16/07/180071607.db2.gz AFNWTMZGHKEQAV-ZWNOBZJWSA-N 1 0 268.313 1.643 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000092133958 180331649 /nfs/dbraw/zinc/33/16/49/180331649.db2.gz WKGZRWKZWNUCDG-NXEZZACHSA-N 1 0 265.313 1.628 20 5 CDBDRO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000109066245 186242545 /nfs/dbraw/zinc/24/25/45/186242545.db2.gz NUDXEAXHOVKCDM-UWVGGRQHSA-N 1 0 263.297 1.417 20 5 CDBDRO C[C@H]([NH3+])C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000110646436 186308845 /nfs/dbraw/zinc/30/88/45/186308845.db2.gz UTBPSYUIUKHGPV-JTQLQIEISA-N 1 0 277.324 1.794 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000156506085 351507635 /nfs/dbraw/zinc/50/76/35/351507635.db2.gz AVLBKWYEVYNHND-ZANVPECISA-N 1 0 299.758 1.796 20 5 CDBDRO Cc1nc(N[C@@H]2CCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000124144319 187124115 /nfs/dbraw/zinc/12/41/15/187124115.db2.gz UTPGYWHFAHOBPY-VHSXEESVSA-N 1 0 250.302 1.838 20 5 CDBDRO COc1ccc(NC(=O)[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000136481000 363110551 /nfs/dbraw/zinc/11/05/51/363110551.db2.gz YRKUSQDVPNFCGU-NSHDSACASA-N 1 0 267.285 1.525 20 5 CDBDRO COc1cc(C(=O)N2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000134089814 187725285 /nfs/dbraw/zinc/72/52/85/187725285.db2.gz XZJVKWPCNIVPHJ-UHFFFAOYSA-N 1 0 279.296 1.167 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)C[NH+](C)C ZINC000292429402 198285466 /nfs/dbraw/zinc/28/54/66/198285466.db2.gz QOZQBPDIUDWHKK-JTQLQIEISA-N 1 0 295.339 1.531 20 5 CDBDRO CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293722324 363209091 /nfs/dbraw/zinc/20/90/91/363209091.db2.gz MNLNDMPUOWEBPY-MWODSPESSA-N 1 0 299.396 1.940 20 5 CDBDRO C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000155160288 188187715 /nfs/dbraw/zinc/18/77/15/188187715.db2.gz BMHHALLFAGWOBC-SNVBAGLBSA-N 1 0 295.364 1.507 20 5 CDBDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000292454584 198294972 /nfs/dbraw/zinc/29/49/72/198294972.db2.gz PRTYVEPWAVLVTB-JQWIXIFHSA-N 1 0 250.298 1.940 20 5 CDBDRO Nc1ccc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000158295397 188368381 /nfs/dbraw/zinc/36/83/81/188368381.db2.gz LXKYSJZUTXKHLR-CQSZACIVSA-N 1 0 290.323 1.003 20 5 CDBDRO Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000158595747 188384385 /nfs/dbraw/zinc/38/43/85/188384385.db2.gz KRGXLBCDSJKSTB-UHFFFAOYSA-N 1 0 277.324 1.601 20 5 CDBDRO CSc1cccc(C(=O)NCC2([NH3+])CC2)c1[N+](=O)[O-] ZINC001579393022 1172165748 /nfs/dbraw/zinc/16/57/48/1172165748.db2.gz KIRYTYYISJEATK-UHFFFAOYSA-N 1 0 281.337 1.538 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000135429369 358479655 /nfs/dbraw/zinc/47/96/55/358479655.db2.gz ZOZZPUHHJYFFGS-WDEREUQCSA-N 1 0 277.324 1.713 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000295228833 199412006 /nfs/dbraw/zinc/41/20/06/199412006.db2.gz NSAFPSZQDFNLHH-SECBINFHSA-N 1 0 297.311 1.079 20 5 CDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000236632369 363306786 /nfs/dbraw/zinc/30/67/86/363306786.db2.gz ACODELRMXNHDAQ-NSHDSACASA-N 1 0 295.339 1.463 20 5 CDBDRO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000411924067 363380705 /nfs/dbraw/zinc/38/07/05/363380705.db2.gz PMGIASPGJBSDPR-RYUDHWBXSA-N 1 0 266.297 1.176 20 5 CDBDRO Cc1sc(C(=O)N[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000127074048 356255039 /nfs/dbraw/zinc/25/50/39/356255039.db2.gz QVZUUILQEZSIED-ZETCQYMHSA-N 1 0 255.299 1.056 20 5 CDBDRO C[NH+](C)[C@@]1(CNc2ncc([N+](=O)[O-])cn2)CCSC1 ZINC000273580249 192214045 /nfs/dbraw/zinc/21/40/45/192214045.db2.gz FOUWETCEXNVLOO-LLVKDONJSA-N 1 0 283.357 1.234 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000163346748 356339358 /nfs/dbraw/zinc/33/93/58/356339358.db2.gz XBTDVPAESAMTIH-UWVGGRQHSA-N 1 0 263.297 1.404 20 5 CDBDRO CC(C)(CO)[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000609846022 356459039 /nfs/dbraw/zinc/45/90/39/356459039.db2.gz XSPXIEVPDKNYHG-UHFFFAOYSA-N 1 0 293.367 1.483 20 5 CDBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000037881956 356549031 /nfs/dbraw/zinc/54/90/31/356549031.db2.gz BFKMNSWWOUTMGY-RFHZTLPTSA-N 1 0 296.371 1.567 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(CO)CC1 ZINC000046090675 357135150 /nfs/dbraw/zinc/13/51/50/357135150.db2.gz QHLKPJAQDWGEBR-UHFFFAOYSA-N 1 0 250.298 1.799 20 5 CDBDRO COc1ccc(C[NH2+]CCc2cnccn2)cc1[N+](=O)[O-] ZINC000341293871 357222836 /nfs/dbraw/zinc/22/28/36/357222836.db2.gz IQHKSRARINUIAP-UHFFFAOYSA-N 1 0 288.307 1.726 20 5 CDBDRO C[C@H]1CCC[C@H](CO)[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000181383890 357341230 /nfs/dbraw/zinc/34/12/30/357341230.db2.gz LOHWALSBRKXTRD-GLQYFDAESA-N 1 0 294.351 1.864 20 5 CDBDRO CCC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000264500213 357355790 /nfs/dbraw/zinc/35/57/90/357355790.db2.gz VLOAMKNXBXSBII-UHFFFAOYSA-N 1 0 264.329 1.830 20 5 CDBDRO CCc1n[nH]c(C(=O)NCCC[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000264610743 357443147 /nfs/dbraw/zinc/44/31/47/357443147.db2.gz OTIJWCCGFSFGNM-UHFFFAOYSA-N 1 0 297.359 1.340 20 5 CDBDRO O=C1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C2(CCC2)N1 ZINC000282704685 357471260 /nfs/dbraw/zinc/47/12/60/357471260.db2.gz GFHQVFGMFIXJBC-ZDUSSCGKSA-N 1 0 289.335 1.886 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000186785489 357689652 /nfs/dbraw/zinc/68/96/52/357689652.db2.gz BSXACBUFRHERDG-UHFFFAOYSA-N 1 0 283.353 1.823 20 5 CDBDRO C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000294439704 199039765 /nfs/dbraw/zinc/03/97/65/199039765.db2.gz ZDUHDUOBYLCFML-SNVBAGLBSA-N 1 0 265.313 1.522 20 5 CDBDRO C[C@H]1C[C@H](O)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337472553 358047877 /nfs/dbraw/zinc/04/78/77/358047877.db2.gz QKINOSKFXXZLFU-QWRGUYRKSA-N 1 0 293.323 1.379 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCCO ZINC000193250389 358278224 /nfs/dbraw/zinc/27/82/24/358278224.db2.gz HFDRVFVTBUKTGC-UHFFFAOYSA-N 1 0 268.313 1.856 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCCC[C@@H]1CCC[NH2+]1 ZINC000294776922 199176928 /nfs/dbraw/zinc/17/69/28/199176928.db2.gz GKEOYMIOZIACOG-ZDUSSCGKSA-N 1 0 291.351 1.786 20 5 CDBDRO COCC[N@H+](C)CCCNc1cc(N)ccc1[N+](=O)[O-] ZINC000193385113 358291035 /nfs/dbraw/zinc/29/10/35/358291035.db2.gz VBIYLQJKHQMRBT-UHFFFAOYSA-N 1 0 282.344 1.557 20 5 CDBDRO COC(=O)N1CC([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000294900340 199238877 /nfs/dbraw/zinc/23/88/77/199238877.db2.gz VWCVALOCMCGZKT-QMMMGPOBSA-N 1 0 294.311 1.278 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH2+]C)C2)c1 ZINC000422705649 535427465 /nfs/dbraw/zinc/42/74/65/535427465.db2.gz CNVNCVYPKQNJCD-SNVBAGLBSA-N 1 0 293.323 1.427 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCCOC1 ZINC000176236332 358749469 /nfs/dbraw/zinc/74/94/69/358749469.db2.gz CZMMFENSDNXGEW-LLVKDONJSA-N 1 0 268.317 1.150 20 5 CDBDRO Cc1ccc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000186746339 358821633 /nfs/dbraw/zinc/82/16/33/358821633.db2.gz APDFPARIFQCIBM-CABZTGNLSA-N 1 0 277.324 1.631 20 5 CDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000264949014 358791514 /nfs/dbraw/zinc/79/15/14/358791514.db2.gz XUKLIRBSWAZVBI-XEHSLEBBSA-N 1 0 289.335 1.818 20 5 CDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H](C)[NH3+] ZINC000178635516 366493903 /nfs/dbraw/zinc/49/39/03/366493903.db2.gz UAVBICRRPMQCIA-VHSXEESVSA-N 1 0 297.380 1.929 20 5 CDBDRO Cc1nc(N2CC[N@@H+](C)CC[C@H]2C)ncc1[N+](=O)[O-] ZINC000450330749 358892098 /nfs/dbraw/zinc/89/20/98/358892098.db2.gz POCVDBASTFIYAP-SECBINFHSA-N 1 0 265.317 1.224 20 5 CDBDRO CCOC[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176307191 358962525 /nfs/dbraw/zinc/96/25/25/358962525.db2.gz OIHBNXDKJYHWOD-NSHDSACASA-N 1 0 268.317 1.150 20 5 CDBDRO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000104188470 358950417 /nfs/dbraw/zinc/95/04/17/358950417.db2.gz NIYJSUIFBNNETI-NSHDSACASA-N 1 0 277.324 1.585 20 5 CDBDRO CC(C)(NC(=O)[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000119863244 359033132 /nfs/dbraw/zinc/03/31/32/359033132.db2.gz HWWMZCFDPATFTO-LLVKDONJSA-N 1 0 291.351 1.946 20 5 CDBDRO Cc1c(C(=O)N[C@H](C)[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000381339664 359038474 /nfs/dbraw/zinc/03/84/74/359038474.db2.gz DVQSDLNGIZOKNX-RKDXNWHRSA-N 1 0 251.286 1.369 20 5 CDBDRO C[C@H](C[S@](C)=O)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570175359 359289942 /nfs/dbraw/zinc/28/99/42/359289942.db2.gz IXCFWATWAGOZET-VVSLUIPWSA-N 1 0 282.365 1.939 20 5 CDBDRO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000339618064 359416572 /nfs/dbraw/zinc/41/65/72/359416572.db2.gz ALDDRODAMPMEBU-BETUJISGSA-N 1 0 293.367 1.998 20 5 CDBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H](C)CO ZINC000339625591 359419758 /nfs/dbraw/zinc/41/97/58/359419758.db2.gz KPTZKNSITFGIGA-NSHDSACASA-N 1 0 295.339 1.544 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)CC(F)(F)F)cc1 ZINC000339791066 359443937 /nfs/dbraw/zinc/44/39/37/359443937.db2.gz GVVXGMMRCNXNLG-VIFPVBQESA-N 1 0 278.230 1.998 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000571356031 359569349 /nfs/dbraw/zinc/56/93/49/359569349.db2.gz MYQNILBAMFEFDW-CYBMUJFWSA-N 1 0 291.351 1.690 20 5 CDBDRO Cc1cc(NC(=O)NC[C@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000296983714 200053690 /nfs/dbraw/zinc/05/36/90/200053690.db2.gz XXEVSOMPLCALHT-LLVKDONJSA-N 1 0 292.339 1.976 20 5 CDBDRO Cc1cc(C(=O)NC2CN(C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000297073258 200078463 /nfs/dbraw/zinc/07/84/63/200078463.db2.gz LQQNBWKWQYSGPJ-UHFFFAOYSA-N 1 0 277.324 1.726 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000063020322 360051923 /nfs/dbraw/zinc/05/19/23/360051923.db2.gz VDRMKAIBJBSQRI-BQYQJAHWSA-N 1 0 263.297 1.462 20 5 CDBDRO C[NH2+]CCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417844431 283531957 /nfs/dbraw/zinc/53/19/57/283531957.db2.gz HMFXJPGBQUSAEX-SNVBAGLBSA-N 1 0 280.328 1.483 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000235678651 360284190 /nfs/dbraw/zinc/28/41/90/360284190.db2.gz DBWDFCUGDBQBCQ-QWRGUYRKSA-N 1 0 277.324 1.774 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(c2ncc(C)cc2[N+](=O)[O-])C1 ZINC000090692551 283548554 /nfs/dbraw/zinc/54/85/54/283548554.db2.gz DPARFFBOMLELRO-NSHDSACASA-N 1 0 264.329 1.734 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000348157766 360532788 /nfs/dbraw/zinc/53/27/88/360532788.db2.gz QWAITQMZAUUNIM-SECBINFHSA-N 1 0 266.301 1.666 20 5 CDBDRO CC1CC[NH+](CC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178256367 189100721 /nfs/dbraw/zinc/10/07/21/189100721.db2.gz GNKUNXCBABLSTD-UHFFFAOYSA-N 1 0 291.351 1.943 20 5 CDBDRO C[C@@H]([NH2+]CC(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000180442237 189255095 /nfs/dbraw/zinc/25/50/95/189255095.db2.gz AEOCTQGFJZALCX-LLVKDONJSA-N 1 0 293.323 1.104 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180580976 189263565 /nfs/dbraw/zinc/26/35/65/189263565.db2.gz DBIMDWSPOLGXTH-UHFFFAOYSA-N 1 0 280.328 1.249 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+](C)C ZINC000180587940 189263909 /nfs/dbraw/zinc/26/39/09/189263909.db2.gz WFNFUBKIAGEEJK-UHFFFAOYSA-N 1 0 266.301 1.586 20 5 CDBDRO COc1ccc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)cc1[N+](=O)[O-] ZINC000168368400 361166610 /nfs/dbraw/zinc/16/66/10/361166610.db2.gz CLIFASQEWXSLJQ-JQWIXIFHSA-N 1 0 280.324 1.806 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C)[NH2+]1 ZINC000070075713 361237412 /nfs/dbraw/zinc/23/74/12/361237412.db2.gz HZQSNSCVRJCLJY-HTQZYQBOSA-N 1 0 253.258 1.010 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000070076265 361238437 /nfs/dbraw/zinc/23/84/37/361238437.db2.gz LRTNERUJYWONOA-YFHYCDLPSA-N 1 0 289.335 1.817 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1 ZINC000037982636 361286200 /nfs/dbraw/zinc/28/62/00/361286200.db2.gz FELFTCHLHWKKSF-NSHDSACASA-N 1 0 284.337 1.119 20 5 CDBDRO COc1ccc(C(=O)N(C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000036283191 361421083 /nfs/dbraw/zinc/42/10/83/361421083.db2.gz WKGMCWWWGUNQKP-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO Cc1c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cccc1[N+](=O)[O-] ZINC000248599606 361677549 /nfs/dbraw/zinc/67/75/49/361677549.db2.gz IVQNYPOOGAOARB-WCFLWFBJSA-N 1 0 289.335 1.713 20 5 CDBDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000168146174 363879328 /nfs/dbraw/zinc/87/93/28/363879328.db2.gz BOPLBZCBOOGQTN-XLFHBGCDSA-N 1 0 256.327 1.451 20 5 CDBDRO C[C@H](C1CC1)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000304289744 239356476 /nfs/dbraw/zinc/35/64/76/239356476.db2.gz BXAFWWOYLUYBQE-YGRLFVJLSA-N 1 0 294.355 1.415 20 5 CDBDRO C[N@@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000580338077 363902354 /nfs/dbraw/zinc/90/23/54/363902354.db2.gz HOLYSAQRFZNYEE-UHFFFAOYSA-N 1 0 293.367 2.000 20 5 CDBDRO CC[N@H+](CCO)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000267986869 363945037 /nfs/dbraw/zinc/94/50/37/363945037.db2.gz JNXYNOITQWFQSK-JTQLQIEISA-N 1 0 281.312 1.236 20 5 CDBDRO NC(=O)c1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000035231703 363956885 /nfs/dbraw/zinc/95/68/85/363956885.db2.gz WYAVGXSEHWRKSQ-UHFFFAOYSA-N 1 0 285.303 1.984 20 5 CDBDRO Cc1cnc(OCCN2CCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000170605615 364236459 /nfs/dbraw/zinc/23/64/59/364236459.db2.gz WIFAJFWLJLFGEH-NSHDSACASA-N 1 0 281.312 1.398 20 5 CDBDRO CC[C@@H]1CN(CC)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000456363271 364264587 /nfs/dbraw/zinc/26/45/87/364264587.db2.gz XHLCRQCDPSKNJO-SNVBAGLBSA-N 1 0 281.312 1.744 20 5 CDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000104364514 364806715 /nfs/dbraw/zinc/80/67/15/364806715.db2.gz XMWDBXDDZQGZMV-SNVBAGLBSA-N 1 0 263.297 1.324 20 5 CDBDRO CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000290204532 364809831 /nfs/dbraw/zinc/80/98/31/364809831.db2.gz PIVVEKFEYKDDNF-JKOKRWQUSA-N 1 0 280.324 1.968 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000261664925 364811513 /nfs/dbraw/zinc/81/15/13/364811513.db2.gz FKUABMOLDHHDAT-UWVGGRQHSA-N 1 0 299.352 1.013 20 5 CDBDRO Cc1cccc(NC[C@@H](C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000275380485 193015629 /nfs/dbraw/zinc/01/56/29/193015629.db2.gz BEWDHTAIFDYJFO-CYBMUJFWSA-N 1 0 292.383 1.951 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000168685614 370795621 /nfs/dbraw/zinc/79/56/21/370795621.db2.gz JWHQSBKPFPTCHI-QMMMGPOBSA-N 1 0 269.276 1.414 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+](CCO)C1CCC1 ZINC000275784469 193127252 /nfs/dbraw/zinc/12/72/52/193127252.db2.gz CTNYFPAGLKYWIX-UHFFFAOYSA-N 1 0 280.324 1.820 20 5 CDBDRO Cc1c(NC(=O)N[C@@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000414706778 241342392 /nfs/dbraw/zinc/34/23/92/241342392.db2.gz OMPKUGJWOZIEHN-ZETCQYMHSA-N 1 0 252.274 1.372 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000415502790 241706181 /nfs/dbraw/zinc/70/61/81/241706181.db2.gz NYITVQKJFMFNQQ-JTQLQIEISA-N 1 0 278.312 1.729 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCC[C@@H]1OC(F)F ZINC000348522796 367456927 /nfs/dbraw/zinc/45/69/27/367456927.db2.gz ZTOLVNPUNNCYON-APPZFPTMSA-N 1 0 290.270 1.578 20 5 CDBDRO C[C@H](NC(=O)N1CCC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417127581 242329651 /nfs/dbraw/zinc/32/96/51/242329651.db2.gz GFYVORFLKWNROR-CMPLNLGQSA-N 1 0 292.339 1.789 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417145250 242336177 /nfs/dbraw/zinc/33/61/77/242336177.db2.gz WVXOWWXLCAJPLB-ONGXEEELSA-N 1 0 280.328 1.692 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417234478 242373052 /nfs/dbraw/zinc/37/30/52/242373052.db2.gz PVIOATQDMHTPCY-NSHDSACASA-N 1 0 294.355 1.292 20 5 CDBDRO COCC[NH+]1CCC(Nc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000301130459 368068303 /nfs/dbraw/zinc/06/83/03/368068303.db2.gz UARVHEULPQUFOZ-UHFFFAOYSA-N 1 0 297.359 1.159 20 5 CDBDRO C[NH2+]CCCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000418281316 242888473 /nfs/dbraw/zinc/88/84/73/242888473.db2.gz UQLMGVVJHGHDPZ-UHFFFAOYSA-N 1 0 294.355 1.388 20 5 CDBDRO COC[C@@](C)([NH3+])CNc1ncc(C)cc1[N+](=O)[O-] ZINC000266194039 370948384 /nfs/dbraw/zinc/94/83/84/370948384.db2.gz HFWWBDFNWNIHDR-NSHDSACASA-N 1 0 254.290 1.074 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000115341079 294461166 /nfs/dbraw/zinc/46/11/66/294461166.db2.gz ABTOHOJRDARZRD-RKDXNWHRSA-N 1 0 253.306 1.258 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000420374431 244168173 /nfs/dbraw/zinc/16/81/73/244168173.db2.gz RZGUHYHJYNDOOJ-TYNCELHUSA-N 1 0 293.367 1.950 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cn1 ZINC000420645043 244309314 /nfs/dbraw/zinc/30/93/14/244309314.db2.gz ZRJOQAROEBKXAD-NSHDSACASA-N 1 0 250.302 1.520 20 5 CDBDRO [NH3+]C1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000037668438 369784041 /nfs/dbraw/zinc/78/40/41/369784041.db2.gz XQEBTPCXMNZOOV-UHFFFAOYSA-N 1 0 263.297 1.483 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000422706449 245162996 /nfs/dbraw/zinc/16/29/96/245162996.db2.gz FBPHJEUWLXZXQI-LBPRGKRZSA-N 1 0 277.324 1.266 20 5 CDBDRO COc1cccc(C(=O)N2CC[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000422838991 245319919 /nfs/dbraw/zinc/31/99/19/245319919.db2.gz PJRZNIZVQWBBDW-VIFPVBQESA-N 1 0 279.296 1.037 20 5 CDBDRO Cc1c(CC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000422845669 245323664 /nfs/dbraw/zinc/32/36/64/245323664.db2.gz ONZHSTBLBXPHCF-ZWNOBZJWSA-N 1 0 291.351 1.641 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000422860439 245343650 /nfs/dbraw/zinc/34/36/50/245343650.db2.gz MGUJPMOXVVFLGB-JTQLQIEISA-N 1 0 293.323 1.461 20 5 CDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)n1 ZINC000422895903 245380327 /nfs/dbraw/zinc/38/03/27/245380327.db2.gz GSQDHVHIATZHDD-SNVBAGLBSA-N 1 0 297.359 1.257 20 5 CDBDRO O=C(NCCCCC[NH+]1CCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000293786494 372784895 /nfs/dbraw/zinc/78/48/95/372784895.db2.gz ADIKEHDKIOKGFZ-UHFFFAOYSA-N 1 0 295.343 1.314 20 5 CDBDRO C[NH+](C)CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000121829019 373462468 /nfs/dbraw/zinc/46/24/68/373462468.db2.gz KUPQIVAOLRHEAW-UHFFFAOYSA-N 1 0 290.323 1.296 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000161493568 373764932 /nfs/dbraw/zinc/76/49/32/373764932.db2.gz BMKGNYPKUIIYAM-RKDXNWHRSA-N 1 0 295.343 1.270 20 5 CDBDRO Nc1ccc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000368376220 373832458 /nfs/dbraw/zinc/83/24/58/373832458.db2.gz LOCKSVRBRCRNSF-GFCCVEGCSA-N 1 0 290.323 1.049 20 5 CDBDRO Cc1c(CC(=O)N[C@@H]2CCC[NH2+][C@H]2C)cccc1[N+](=O)[O-] ZINC000423611393 245937959 /nfs/dbraw/zinc/93/79/59/245937959.db2.gz NJIANQNOXSKCCE-WCQYABFASA-N 1 0 291.351 1.702 20 5 CDBDRO C[NH2+]CCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423725743 246005678 /nfs/dbraw/zinc/00/56/78/246005678.db2.gz OXZRDQQCRLUFSL-UHFFFAOYSA-N 1 0 263.257 1.019 20 5 CDBDRO [NH3+]C1(CNC(=O)NCCc2ccccc2[N+](=O)[O-])CCC1 ZINC000417763751 374252831 /nfs/dbraw/zinc/25/28/31/374252831.db2.gz LBEMAYMMWYWXKU-UHFFFAOYSA-N 1 0 292.339 1.318 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000418239142 374259657 /nfs/dbraw/zinc/25/96/57/374259657.db2.gz YNAKMWQEXLRRNA-CMPLNLGQSA-N 1 0 292.339 1.659 20 5 CDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccnc1 ZINC000130991156 374348022 /nfs/dbraw/zinc/34/80/22/374348022.db2.gz LTLVYWYFHWUWTG-SNVBAGLBSA-N 1 0 261.285 1.537 20 5 CDBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1c([N+](=O)[O-])ncn1C ZINC000370056164 374377169 /nfs/dbraw/zinc/37/71/69/374377169.db2.gz OYVPLWGPRARDCP-RYUDHWBXSA-N 1 0 293.371 1.387 20 5 CDBDRO Cc1ccc([C@H](C)NC[C@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000423511226 374388880 /nfs/dbraw/zinc/38/88/80/374388880.db2.gz KDHPCUKDRRLSHG-GXTWGEPZSA-N 1 0 293.367 1.932 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000374412283 374484818 /nfs/dbraw/zinc/48/48/18/374484818.db2.gz RCHOPMVJMKFNMZ-MNOVXSKESA-N 1 0 280.328 1.187 20 5 CDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCCCC[NH2+]1 ZINC000080999771 374488425 /nfs/dbraw/zinc/48/84/25/374488425.db2.gz RSCWPTCTCSKDPZ-GFCCVEGCSA-N 1 0 277.324 1.743 20 5 CDBDRO C[S@@](=O)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000116919333 374492357 /nfs/dbraw/zinc/49/23/57/374492357.db2.gz HBJQYLDRZOHPRI-KRWDZBQOSA-N 1 0 256.327 1.453 20 5 CDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000135241972 296217552 /nfs/dbraw/zinc/21/75/52/296217552.db2.gz BOHYFGAZQSSCAK-MNOVXSKESA-N 1 0 293.298 1.700 20 5 CDBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000070149038 374651091 /nfs/dbraw/zinc/65/10/91/374651091.db2.gz WBWCFLUQGNKKMU-SECBINFHSA-N 1 0 266.301 1.266 20 5 CDBDRO C[C@H](CCN1CC[NH+](C)CC1)Nc1ncccc1[N+](=O)[O-] ZINC000274460279 374673025 /nfs/dbraw/zinc/67/30/25/374673025.db2.gz KHOGRKSBLIVVKG-GFCCVEGCSA-N 1 0 293.371 1.428 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000331591624 374976154 /nfs/dbraw/zinc/97/61/54/374976154.db2.gz XXLUCABHKLPTCH-LLVKDONJSA-N 1 0 289.335 1.870 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000280319290 374992354 /nfs/dbraw/zinc/99/23/54/374992354.db2.gz PDJMZVHEDZHHQR-UONOGXRCSA-N 1 0 294.351 1.638 20 5 CDBDRO Cc1cc(C(=O)NCC[N@H+]2CC=CCC2)cc([N+](=O)[O-])c1 ZINC000280322956 374992508 /nfs/dbraw/zinc/99/25/08/374992508.db2.gz URASKQWDYDTJBY-UHFFFAOYSA-N 1 0 289.335 1.895 20 5 CDBDRO C[NH+](C)C1(CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000493273775 375431008 /nfs/dbraw/zinc/43/10/08/375431008.db2.gz RACCAGPKOGEZCW-SREVYHEPSA-N 1 0 289.335 1.818 20 5 CDBDRO COC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)OC ZINC000230147977 375526631 /nfs/dbraw/zinc/52/66/31/375526631.db2.gz DXDGVTTVSFBASE-NSHDSACASA-N 1 0 288.731 1.999 20 5 CDBDRO CC(C)[N@H+](C)CCCNc1ncc([N+](=O)[O-])cn1 ZINC000230872780 375662471 /nfs/dbraw/zinc/66/24/71/375662471.db2.gz ZISNQBACJWTOQL-UHFFFAOYSA-N 1 0 253.306 1.527 20 5 CDBDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000227979329 375659739 /nfs/dbraw/zinc/65/97/39/375659739.db2.gz RNNXDFACXWKVEW-ZWNOBZJWSA-N 1 0 266.297 1.224 20 5 CDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000357048362 375672609 /nfs/dbraw/zinc/67/26/09/375672609.db2.gz ZSMKCSHJXXDZKD-CHWSQXEVSA-N 1 0 293.367 1.998 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000355335758 375790629 /nfs/dbraw/zinc/79/06/29/375790629.db2.gz OTBAHMSDSRBHKG-AWEZNQCLSA-N 1 0 296.371 1.749 20 5 CDBDRO CC(C)[NH+](CCN(C)CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000356370939 375838739 /nfs/dbraw/zinc/83/87/39/375838739.db2.gz GLKGBGYRHGPPAG-UHFFFAOYSA-N 1 0 297.403 1.842 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000261776440 190044108 /nfs/dbraw/zinc/04/41/08/190044108.db2.gz PSMONOVJIGLVHA-SSDOTTSWSA-N 1 0 271.704 1.586 20 5 CDBDRO CN(CC[NH+](C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486973511 376351506 /nfs/dbraw/zinc/35/15/06/376351506.db2.gz VRNMXRPCAZANNN-UHFFFAOYSA-N 1 0 291.311 1.643 20 5 CDBDRO CC(C)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000052951102 376767165 /nfs/dbraw/zinc/76/71/65/376767165.db2.gz UZJTYRSRQNBCHN-UHFFFAOYSA-N 1 0 280.328 1.526 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CO)CCCC2)cc1 ZINC000053044758 377637356 /nfs/dbraw/zinc/63/73/56/377637356.db2.gz DCJCENNNTHAJHA-UHFFFAOYSA-N 1 0 250.298 1.990 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000129553071 377718964 /nfs/dbraw/zinc/71/89/64/377718964.db2.gz MJEAXRNQAKFHIU-OLZOCXBDSA-N 1 0 280.324 1.852 20 5 CDBDRO CCOC(=O)CC[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000385621991 377822494 /nfs/dbraw/zinc/82/24/94/377822494.db2.gz FFMKUSDFMQDOPL-CYBMUJFWSA-N 1 0 296.323 1.389 20 5 CDBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174873891 379602380 /nfs/dbraw/zinc/60/23/80/379602380.db2.gz WPZCBYKHWNVUAN-WDEREUQCSA-N 1 0 252.318 1.912 20 5 CDBDRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279219987 194338300 /nfs/dbraw/zinc/33/83/00/194338300.db2.gz HZMLTXWWNNHZGE-JOYOIKCWSA-N 1 0 277.324 1.972 20 5 CDBDRO CCC1(CC)C[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000453021666 252252765 /nfs/dbraw/zinc/25/27/65/252252765.db2.gz QPDQTPPMMBFAKG-GFCCVEGCSA-N 1 0 282.344 1.274 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492799170 253297416 /nfs/dbraw/zinc/29/74/16/253297416.db2.gz MBCFMFRBSUFCQE-STUBTGCMSA-N 1 0 295.314 1.813 20 5 CDBDRO CC(C)[C@@](C)([NH2+]Cc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000289404942 197330654 /nfs/dbraw/zinc/33/06/54/197330654.db2.gz SKQCPGWRUQVGKQ-CYBMUJFWSA-N 1 0 265.313 1.584 20 5 CDBDRO COCCOCC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000289102990 197234719 /nfs/dbraw/zinc/23/47/19/197234719.db2.gz VNAQJNDZWZGBER-UHFFFAOYSA-N 1 0 298.339 1.568 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1COC[C@H]1O ZINC000285953574 390187277 /nfs/dbraw/zinc/18/72/77/390187277.db2.gz MTXTUTMVCXYEFF-CHWSQXEVSA-N 1 0 296.323 1.185 20 5 CDBDRO CO[C@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000451501941 390629021 /nfs/dbraw/zinc/62/90/21/390629021.db2.gz OZUBRFCGLXWLAZ-RYUDHWBXSA-N 1 0 295.339 1.160 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000451634906 390638951 /nfs/dbraw/zinc/63/89/51/390638951.db2.gz SFPMLPCNEZEWJY-DOMZBBRYSA-N 1 0 291.351 1.610 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000127183171 390644029 /nfs/dbraw/zinc/64/40/29/390644029.db2.gz AULSWVZQVMIQDQ-CMDGGOBGSA-N 1 0 277.324 1.676 20 5 CDBDRO C[NH+](C)CCCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411158816 390965876 /nfs/dbraw/zinc/96/58/76/390965876.db2.gz GPGOXAHQMASKMX-UONOGXRCSA-N 1 0 291.351 1.766 20 5 CDBDRO CCOc1cccc(NC[C@@](C)(O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000184140077 391052675 /nfs/dbraw/zinc/05/26/75/391052675.db2.gz JGUDADRUBASBLM-CQSZACIVSA-N 1 0 297.355 1.718 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000574406030 391137557 /nfs/dbraw/zinc/13/75/57/391137557.db2.gz YQYYTQPBNAJDMK-UHFFFAOYSA-N 1 0 294.355 1.538 20 5 CDBDRO COc1ccc(NC(=O)N(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000415441234 391138783 /nfs/dbraw/zinc/13/87/83/391138783.db2.gz OYAAPDGBJCZMLN-UHFFFAOYSA-N 1 0 268.273 1.026 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000063192665 391161913 /nfs/dbraw/zinc/16/19/13/391161913.db2.gz ONFJPSPWMLXOIO-MFKMUULPSA-N 1 0 277.324 1.937 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C)CC1 ZINC000048608942 391380613 /nfs/dbraw/zinc/38/06/13/391380613.db2.gz ADYPIZFCUXIYIG-UHFFFAOYSA-N 1 0 278.312 1.122 20 5 CDBDRO CCOc1cccc(NC[C@](C)(O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000184140058 391464865 /nfs/dbraw/zinc/46/48/65/391464865.db2.gz JGUDADRUBASBLM-AWEZNQCLSA-N 1 0 297.355 1.718 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC(C)(C)[NH3+] ZINC000415508508 391468570 /nfs/dbraw/zinc/46/85/70/391468570.db2.gz VCWQIZJGCWNRFI-UHFFFAOYSA-N 1 0 266.301 1.762 20 5 CDBDRO C[C@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000415635579 391470338 /nfs/dbraw/zinc/47/03/38/391470338.db2.gz VCNPHKRUVWXXFT-WRWORJQWSA-N 1 0 282.275 1.545 20 5 CDBDRO COCCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000189648202 130003943 /nfs/dbraw/zinc/00/39/43/130003943.db2.gz MORVNOKYPVPVBK-AWEZNQCLSA-N 1 0 280.324 1.832 20 5 CDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1(CO)CCOCC1 ZINC000191006565 130171106 /nfs/dbraw/zinc/17/11/06/130171106.db2.gz HEUAUMIWMQIYGV-UHFFFAOYSA-N 1 0 280.324 1.568 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111010237 391848916 /nfs/dbraw/zinc/84/89/16/391848916.db2.gz LQRLDBWLJARJNF-MRVPVSSYSA-N 1 0 283.715 1.730 20 5 CDBDRO C[C@H]1C[NH2+]CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000261859110 392024716 /nfs/dbraw/zinc/02/47/16/392024716.db2.gz QZZGFVPCMHLWFU-ZETCQYMHSA-N 1 0 256.693 1.441 20 5 CDBDRO CC(C)OCCC[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000267119413 392141798 /nfs/dbraw/zinc/14/17/98/392141798.db2.gz ZSAZTDNJIBJOMY-UHFFFAOYSA-N 1 0 270.333 1.538 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000592213559 392095690 /nfs/dbraw/zinc/09/56/90/392095690.db2.gz UQEOWAHTAGLOSR-NXEZZACHSA-N 1 0 280.328 1.520 20 5 CDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCCC[NH3+])cc1OC ZINC000237069902 131001747 /nfs/dbraw/zinc/00/17/47/131001747.db2.gz CVAXPGDTBZWLRK-UHFFFAOYSA-N 1 0 297.311 1.081 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000261650045 131159504 /nfs/dbraw/zinc/15/95/04/131159504.db2.gz FAVWEADTFCPIPU-QMMMGPOBSA-N 1 0 283.353 1.654 20 5 CDBDRO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H](C[NH3+])C1 ZINC000261698079 131163196 /nfs/dbraw/zinc/16/31/96/131163196.db2.gz FJSKBEKVXALIMU-ONGXEEELSA-N 1 0 292.339 1.376 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261711091 131163380 /nfs/dbraw/zinc/16/33/80/131163380.db2.gz PDIQMKOGDVPSNO-CHWSQXEVSA-N 1 0 289.335 1.205 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261716314 131164206 /nfs/dbraw/zinc/16/42/06/131164206.db2.gz PPCKKHAWMJGPKG-NEPJUHHUSA-N 1 0 289.335 1.585 20 5 CDBDRO [NH3+][C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000261953146 131179444 /nfs/dbraw/zinc/17/94/44/131179444.db2.gz KGKOZVVXKVQIFQ-GFCCVEGCSA-N 1 0 279.296 1.287 20 5 CDBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000262264330 131206313 /nfs/dbraw/zinc/20/63/13/131206313.db2.gz UVKDFNONQVQLAW-SECBINFHSA-N 1 0 292.339 1.376 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])c(N)c([N+](=O)[O-])c1 ZINC000262590201 131237371 /nfs/dbraw/zinc/23/73/71/131237371.db2.gz QXDRUHHXWUZASM-GXSJLCMTSA-N 1 0 292.339 1.343 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000262701845 131252562 /nfs/dbraw/zinc/25/25/62/131252562.db2.gz AVYLCYVMJPKSOT-JGVFFNPUSA-N 1 0 269.326 1.479 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000262818678 131264631 /nfs/dbraw/zinc/26/46/31/131264631.db2.gz SDWKOGXBYDWYPB-WDEREUQCSA-N 1 0 293.323 1.182 20 5 CDBDRO C[NH+](C)CC[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])C(C)(C)C ZINC000548747985 392506887 /nfs/dbraw/zinc/50/68/87/392506887.db2.gz PZYIOLXGNQFNCW-SNVBAGLBSA-N 1 0 297.359 1.414 20 5 CDBDRO Cc1nc(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ncc1[N+](=O)[O-] ZINC000420212767 392905488 /nfs/dbraw/zinc/90/54/88/392905488.db2.gz GSMWOFBDUCNAPW-ZACCUICWSA-N 1 0 277.328 1.412 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000521773794 392868363 /nfs/dbraw/zinc/86/83/63/392868363.db2.gz HQYWFKMOWQYUCT-JTQLQIEISA-N 1 0 292.339 1.147 20 5 CDBDRO COc1ccc(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000269273718 132147868 /nfs/dbraw/zinc/14/78/68/132147868.db2.gz YHXZYGILVHUSRG-GHMZBOCLSA-N 1 0 293.323 1.347 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000423643897 392965922 /nfs/dbraw/zinc/96/59/22/392965922.db2.gz XQYZPICSHBHUEH-QMMMGPOBSA-N 1 0 281.312 1.250 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000429972635 393089089 /nfs/dbraw/zinc/08/90/89/393089089.db2.gz LZVWAFPIRISWSG-MWLCHTKSSA-N 1 0 293.323 1.347 20 5 CDBDRO COC(=O)c1cc(NC(=O)C[C@@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000430193683 393090885 /nfs/dbraw/zinc/09/08/85/393090885.db2.gz SKHPICPLGPRVIG-SSDOTTSWSA-N 1 0 281.268 1.057 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000430210179 393093793 /nfs/dbraw/zinc/09/37/93/393093793.db2.gz CPXBIYRSINNROB-GWCFXTLKSA-N 1 0 280.324 1.806 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000449101758 393129113 /nfs/dbraw/zinc/12/91/13/393129113.db2.gz VMYZAZUQSWDPKJ-SECBINFHSA-N 1 0 293.323 1.360 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC1 ZINC000449196222 393132134 /nfs/dbraw/zinc/13/21/34/393132134.db2.gz WXXHJABZYPKJTF-PWSUYJOCSA-N 1 0 250.298 1.904 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000449637614 393137257 /nfs/dbraw/zinc/13/72/57/393137257.db2.gz GZFBIFNLZPBTIV-WPRPVWTQSA-N 1 0 283.353 1.904 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449685061 393139676 /nfs/dbraw/zinc/13/96/76/393139676.db2.gz MTNUDCNZKTXXHM-NSHDSACASA-N 1 0 292.339 1.560 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H](C)N1CCOc1ccccc1[N+](=O)[O-] ZINC000493676631 393217287 /nfs/dbraw/zinc/21/72/87/393217287.db2.gz IOXJIQYQQMVHOC-TXEJJXNPSA-N 1 0 279.340 1.656 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000131840287 139843476 /nfs/dbraw/zinc/84/34/76/139843476.db2.gz TZDGCLPBILENDI-NXEZZACHSA-N 1 0 263.297 1.404 20 5 CDBDRO CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H](C[NH3+])C1CC1 ZINC000159843960 139907228 /nfs/dbraw/zinc/90/72/28/139907228.db2.gz XHSVFJKTYSNRSS-CYBMUJFWSA-N 1 0 277.324 1.333 20 5 CDBDRO CNC(=O)c1ccc(N[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000213309034 140161312 /nfs/dbraw/zinc/16/13/12/140161312.db2.gz SDZANDJMWZTEEL-SECBINFHSA-N 1 0 280.328 1.316 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000261587815 140357979 /nfs/dbraw/zinc/35/79/79/140357979.db2.gz JRIQCIGOKWWULX-BXKDBHETSA-N 1 0 263.297 1.085 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261649972 140369651 /nfs/dbraw/zinc/36/96/51/140369651.db2.gz JPNAOSRGXMKXSM-MFKMUULPSA-N 1 0 290.323 1.811 20 5 CDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261654180 140369764 /nfs/dbraw/zinc/36/97/64/140369764.db2.gz HRCJHFLGAFRWGW-GFCCVEGCSA-N 1 0 277.324 1.713 20 5 CDBDRO COC[C@@]1(CNc2ccc([N+](=O)[O-])cc2F)CCC[NH2+]1 ZINC000261683733 140374213 /nfs/dbraw/zinc/37/42/13/140374213.db2.gz GYIOVPKGZSGPDP-ZDUSSCGKSA-N 1 0 283.303 1.914 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000261740550 140383695 /nfs/dbraw/zinc/38/36/95/140383695.db2.gz DJHXAMIAESPTBC-AWEZNQCLSA-N 1 0 293.323 1.171 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@](C)(C[NH3+])C2)c1 ZINC000261762858 140386614 /nfs/dbraw/zinc/38/66/14/140386614.db2.gz NYJKHEFHQBAGEV-AWEZNQCLSA-N 1 0 277.324 1.714 20 5 CDBDRO C[NH2+][C@H](C)Cc1noc(-c2ccc([N+](=O)[O-])s2)n1 ZINC000261878174 140402811 /nfs/dbraw/zinc/40/28/11/140402811.db2.gz VZGKQWMRGHVCGA-ZCFIWIBFSA-N 1 0 268.298 1.857 20 5 CDBDRO COc1cc(CN2C[C@H](C)[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000262041116 140416999 /nfs/dbraw/zinc/41/69/99/140416999.db2.gz PDIKVTUGEAHVEA-GXSJLCMTSA-N 1 0 295.339 1.391 20 5 CDBDRO CC(C)(C)[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000170889708 147782692 /nfs/dbraw/zinc/78/26/92/147782692.db2.gz HDKARDCIOGDYDX-UHFFFAOYSA-N 1 0 271.342 1.774 20 5 CDBDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000310918322 149204453 /nfs/dbraw/zinc/20/44/53/149204453.db2.gz GRDMKISSMRBSPB-DTWKUNHWSA-N 1 0 256.277 1.983 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000323048566 149263899 /nfs/dbraw/zinc/26/38/99/149263899.db2.gz QBFSZSWBRUTFPX-MRVPVSSYSA-N 1 0 285.731 1.862 20 5 CDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CC(N)=O ZINC000343124216 152041308 /nfs/dbraw/zinc/04/13/08/152041308.db2.gz ZDRKDGSYUHLYQE-MNOVXSKESA-N 1 0 279.340 1.769 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1 ZINC000344008272 152386637 /nfs/dbraw/zinc/38/66/37/152386637.db2.gz AMERUHZZVRDUER-NILFDRSVSA-N 1 0 292.335 1.676 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000346256127 153114202 /nfs/dbraw/zinc/11/42/02/153114202.db2.gz IIBHEXIFAXREKU-SNVBAGLBSA-N 1 0 281.312 1.040 20 5 CDBDRO CO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)[C@@H](C[NH3+])C1 ZINC000346814360 153310042 /nfs/dbraw/zinc/31/00/42/153310042.db2.gz AUJNUBFXAQRZHH-HUUCEWRRSA-N 1 0 293.367 1.841 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000412104860 292296466 /nfs/dbraw/zinc/29/64/66/292296466.db2.gz OHKUOVSQQIKPEC-YWPYICTPSA-N 1 0 294.351 1.639 20 5 CDBDRO C[N@@H+]1CC[C@@](O)(CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000349220501 154070130 /nfs/dbraw/zinc/07/01/30/154070130.db2.gz UAUIACWQJBHJLL-GFCCVEGCSA-N 1 0 285.731 1.727 20 5 CDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@@H+]1CCC[C@H](C)C1 ZINC000349878281 154253755 /nfs/dbraw/zinc/25/37/55/154253755.db2.gz VQJJXICXZXLEFH-VHSXEESVSA-N 1 0 295.343 1.168 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCc1ncn(C)n1 ZINC000350110046 154330544 /nfs/dbraw/zinc/33/05/44/154330544.db2.gz VGXVOPYTYAZSAJ-UHFFFAOYSA-N 1 0 275.312 1.364 20 5 CDBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H](C)O ZINC000352193789 155011118 /nfs/dbraw/zinc/01/11/18/155011118.db2.gz GAEWGAIOILLZKN-LLVKDONJSA-N 1 0 268.313 1.676 20 5 CDBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O ZINC000352202619 155019094 /nfs/dbraw/zinc/01/90/94/155019094.db2.gz KZZSEHZZYMIKBO-LLVKDONJSA-N 1 0 252.314 1.840 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CC[C@H](CO)O1 ZINC000353715129 156035432 /nfs/dbraw/zinc/03/54/32/156035432.db2.gz XHBZREVZCUJCEI-NWDGAFQWSA-N 1 0 266.297 1.224 20 5 CDBDRO COc1ccc(C[N@H+](C)[C@@]2(CO)CCOC2)cc1[N+](=O)[O-] ZINC000359599354 158304592 /nfs/dbraw/zinc/30/45/92/158304592.db2.gz LNHFOWPVQQQRNP-CQSZACIVSA-N 1 0 296.323 1.187 20 5 CDBDRO O=C(N[C@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000361079564 158722356 /nfs/dbraw/zinc/72/23/56/158722356.db2.gz LLSCBWMUFRCDLP-KBPBESRZSA-N 1 0 289.335 1.713 20 5 CDBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000361752321 158977904 /nfs/dbraw/zinc/97/79/04/158977904.db2.gz WQOWAZWTVXSDKZ-NWDGAFQWSA-N 1 0 268.317 1.339 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373061235 160169460 /nfs/dbraw/zinc/16/94/60/160169460.db2.gz YXDTZAOFGMGXMA-SMDDNHRTSA-N 1 0 289.335 1.727 20 5 CDBDRO C[NH+](C)CC(C)(C)CNc1ccc([N+](=O)[O-])cn1 ZINC000020549682 171246537 /nfs/dbraw/zinc/24/65/37/171246537.db2.gz LWMFYTFWKQYCFH-UHFFFAOYSA-N 1 0 252.318 1.990 20 5 CDBDRO C[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)NCCF ZINC000285089536 196194531 /nfs/dbraw/zinc/19/45/31/196194531.db2.gz JYEBFPJKSPGDEV-RKDXNWHRSA-N 1 0 298.318 1.302 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000285703175 196371000 /nfs/dbraw/zinc/37/10/00/196371000.db2.gz LRSXDZCDISEEJV-JTQLQIEISA-N 1 0 281.312 1.548 20 5 CDBDRO C[C@H]([NH2+]CCCS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000038047484 174057704 /nfs/dbraw/zinc/05/77/04/174057704.db2.gz JRBRXZXRAZUUOI-JTQLQIEISA-N 1 0 286.353 1.680 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000038087577 174099519 /nfs/dbraw/zinc/09/95/19/174099519.db2.gz WGGJPUKUMMFLLA-LLVKDONJSA-N 1 0 251.330 1.943 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000040593630 174347621 /nfs/dbraw/zinc/34/76/21/174347621.db2.gz GBZMOZLDAISOBT-SECBINFHSA-N 1 0 283.353 1.728 20 5 CDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]1 ZINC000040676232 174373760 /nfs/dbraw/zinc/37/37/60/174373760.db2.gz KXQXJWWMVOURBS-GFCCVEGCSA-N 1 0 263.297 1.006 20 5 CDBDRO COc1ccc(OCC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000043497985 175058203 /nfs/dbraw/zinc/05/82/03/175058203.db2.gz HZEWLMYOFBXLLI-UHFFFAOYSA-N 1 0 266.297 1.982 20 5 CDBDRO Cc1c(C(=O)NC[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000044501891 175185771 /nfs/dbraw/zinc/18/57/71/175185771.db2.gz ZTEWKUAQUVHGMJ-LLVKDONJSA-N 1 0 277.324 1.633 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000044502106 175186484 /nfs/dbraw/zinc/18/64/84/175186484.db2.gz SCCIIMHNKLWVTG-JTQLQIEISA-N 1 0 278.312 1.716 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000044747933 175243402 /nfs/dbraw/zinc/24/34/02/175243402.db2.gz PKITULBFHIVXGT-LLVKDONJSA-N 1 0 277.324 1.633 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]([NH3+])C(C)C ZINC000070446909 175938904 /nfs/dbraw/zinc/93/89/04/175938904.db2.gz GJDOLNHSOOCWFY-JTQLQIEISA-N 1 0 265.313 1.616 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000071147858 176044256 /nfs/dbraw/zinc/04/42/56/176044256.db2.gz VTUDEXJTPZHUHS-VIFPVBQESA-N 1 0 253.277 1.780 20 5 CDBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000071310195 176117246 /nfs/dbraw/zinc/11/72/46/176117246.db2.gz QLESYLRPNJYYKQ-NSHDSACASA-N 1 0 264.285 1.420 20 5 CDBDRO CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000071312694 176119267 /nfs/dbraw/zinc/11/92/67/176119267.db2.gz XWTDMPZWSSACRZ-GFCCVEGCSA-N 1 0 278.312 1.811 20 5 CDBDRO C[NH+](C)[C@H](CNc1ncccc1[N+](=O)[O-])C1CC1 ZINC000078542660 177351962 /nfs/dbraw/zinc/35/19/62/177351962.db2.gz ACPNHYDUPIAZGC-LLVKDONJSA-N 1 0 250.302 1.742 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000313289307 260279055 /nfs/dbraw/zinc/27/90/55/260279055.db2.gz FMWHRSGGFNUIIH-WSKFYRRCSA-N 1 0 277.324 1.852 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000397213533 270346853 /nfs/dbraw/zinc/34/68/53/270346853.db2.gz BFSMPCCWTWRPRE-UHFFFAOYSA-N 1 0 257.315 1.514 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000320979986 270330038 /nfs/dbraw/zinc/33/00/38/270330038.db2.gz XMBMGRCOIXWWBB-QIAMSNJGSA-N 1 0 277.324 1.850 20 5 CDBDRO CCC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000324708573 270331745 /nfs/dbraw/zinc/33/17/45/270331745.db2.gz COVZWBJYKZOCTQ-KGLIPLIRSA-N 1 0 296.371 1.711 20 5 CDBDRO [NH3+]CC1(O)CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000397096721 270346273 /nfs/dbraw/zinc/34/62/73/270346273.db2.gz KSOOJPATMNLWKC-UHFFFAOYSA-N 1 0 299.758 1.534 20 5 CDBDRO [NH3+][C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000399156402 270369006 /nfs/dbraw/zinc/36/90/06/270369006.db2.gz BIYYWTXXWNWOAK-LBPRGKRZSA-N 1 0 263.297 1.338 20 5 CDBDRO CC(C)[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000399600445 270374413 /nfs/dbraw/zinc/37/44/13/270374413.db2.gz VAUAACFWPGMPNA-FZMZJTMJSA-N 1 0 293.367 1.873 20 5 CDBDRO CC[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000161160403 276406502 /nfs/dbraw/zinc/40/65/02/276406502.db2.gz OBDPHVPAYALGOX-ZDUSSCGKSA-N 1 0 279.340 1.594 20 5 CDBDRO C[NH+](C)CC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452864456 276775872 /nfs/dbraw/zinc/77/58/72/276775872.db2.gz WKZDLBHMXONQAO-CYBMUJFWSA-N 1 0 291.351 1.862 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000132540493 277050108 /nfs/dbraw/zinc/05/01/08/277050108.db2.gz PNNNIORFOIKTQP-UHFFFAOYSA-N 1 0 281.287 1.512 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000135638517 277270060 /nfs/dbraw/zinc/27/00/60/277270060.db2.gz YDTCATHACRVAGD-UHFFFAOYSA-N 1 0 251.286 1.195 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000261591818 277298581 /nfs/dbraw/zinc/29/85/81/277298581.db2.gz YAWHGGIBWYXREK-SECBINFHSA-N 1 0 251.286 1.241 20 5 CDBDRO C[C@H]([NH2+][C@@H]1COC[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC000323255848 278276922 /nfs/dbraw/zinc/27/69/22/278276922.db2.gz FQVOKDHIKIJUOG-MKPLZMMCSA-N 1 0 252.270 1.005 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C[NH3+])C1 ZINC000235316296 278541413 /nfs/dbraw/zinc/54/14/13/278541413.db2.gz ZSWLCCHMXYZILB-RKDXNWHRSA-N 1 0 267.285 1.387 20 5 CDBDRO Cc1cc(F)cc(C(=O)NC[C@@H]([NH3+])C2CC2)c1[N+](=O)[O-] ZINC000137396639 278695933 /nfs/dbraw/zinc/69/59/33/278695933.db2.gz WSJTZNZUKPSEBA-LLVKDONJSA-N 1 0 281.287 1.509 20 5 CDBDRO CC[N@H+](CC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000089305544 279054611 /nfs/dbraw/zinc/05/46/11/279054611.db2.gz JMOVCUPBTHKSPM-UHFFFAOYSA-N 1 0 291.351 1.738 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090553971 279279300 /nfs/dbraw/zinc/27/93/00/279279300.db2.gz MGWGTKIHOWGRNU-SNVBAGLBSA-N 1 0 253.302 1.487 20 5 CDBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2ncc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000488759070 280020895 /nfs/dbraw/zinc/02/08/95/280020895.db2.gz KBPUEAUDWHSBTN-GMXVVIOVSA-N 1 0 291.355 1.551 20 5 CDBDRO Cc1cc(N2CC[C@@H]([NH3+])[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000227075759 280567544 /nfs/dbraw/zinc/56/75/44/280567544.db2.gz FLWLNDAGWRIOGH-VHSXEESVSA-N 1 0 250.302 1.472 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000520815689 281056557 /nfs/dbraw/zinc/05/65/57/281056557.db2.gz VXJRWAKBSXCADF-YUMQZZPRSA-N 1 0 266.301 1.033 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000571167607 294381665 /nfs/dbraw/zinc/38/16/65/294381665.db2.gz RTMAWORCLAJSKH-VHSXEESVSA-N 1 0 295.339 1.849 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000572118738 294560224 /nfs/dbraw/zinc/56/02/24/294560224.db2.gz LLFSPDYMJSZSSE-MNOVXSKESA-N 1 0 294.355 1.862 20 5 CDBDRO C[C@H](C1CC[NH+](C)CC1)N(C)c1c([N+](=O)[O-])ncn1C ZINC000347407679 298272460 /nfs/dbraw/zinc/27/24/60/298272460.db2.gz BCCRAUOILZATKP-SNVBAGLBSA-N 1 0 281.360 1.495 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418231880 298957019 /nfs/dbraw/zinc/95/70/19/298957019.db2.gz LYFKBQVWGQTJTN-UWVGGRQHSA-N 1 0 280.328 1.692 20 5 CDBDRO COc1cc(C(=O)N(C)C[C@H](C)[NH3+])cc([N+](=O)[O-])c1C ZINC000877105908 782076321 /nfs/dbraw/zinc/07/63/21/782076321.db2.gz NQVJNBBZWKRTGK-QMMMGPOBSA-N 1 0 281.312 1.331 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000575746000 317006583 /nfs/dbraw/zinc/00/65/83/317006583.db2.gz QTDGRVXVMMAGCH-NWDGAFQWSA-N 1 0 294.355 1.719 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000577002855 317248162 /nfs/dbraw/zinc/24/81/62/317248162.db2.gz KLCBWMSHSPETLJ-GFCCVEGCSA-N 1 0 287.323 1.713 20 5 CDBDRO CC[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000577366255 317314303 /nfs/dbraw/zinc/31/43/03/317314303.db2.gz QAIBKPUJGBLPDU-FRRDWIJNSA-N 1 0 294.351 1.970 20 5 CDBDRO COc1ccc(CC(=O)NC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000577868248 317422866 /nfs/dbraw/zinc/42/28/66/317422866.db2.gz CWVDXWXNLDHJPX-NSHDSACASA-N 1 0 295.339 1.245 20 5 CDBDRO CC[N@H+](C)CCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185130501 323383241 /nfs/dbraw/zinc/38/32/41/323383241.db2.gz PJEKVZPDGHATNH-SNVBAGLBSA-N 1 0 297.330 1.905 20 5 CDBDRO [NH3+][C@@H](CNC(=O)/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000379684287 323604444 /nfs/dbraw/zinc/60/44/44/323604444.db2.gz FFKFWXNEQKCGKD-KRZKBDHCSA-N 1 0 275.308 1.462 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000381334401 323625116 /nfs/dbraw/zinc/62/51/16/323625116.db2.gz CJSJRIPYJXCAGB-BQBZGAKWSA-N 1 0 255.249 1.199 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@@H]1CC[NH2+]C1 ZINC000582487660 324985678 /nfs/dbraw/zinc/98/56/78/324985678.db2.gz QRJOACAPPUNNBJ-GFCCVEGCSA-N 1 0 292.339 1.135 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([NH3+])CC1 ZINC000036753431 329517232 /nfs/dbraw/zinc/51/72/32/329517232.db2.gz IWLZWKFJERZSKP-UHFFFAOYSA-N 1 0 263.297 1.467 20 5 CDBDRO C[N@H+](CC[C@H]1CCCO1)CCn1ccc([N+](=O)[O-])n1 ZINC000342603692 482490995 /nfs/dbraw/zinc/49/09/95/482490995.db2.gz LZURKTDEQVWYCA-LLVKDONJSA-N 1 0 268.317 1.292 20 5 CDBDRO CCC[C@](C)(O)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000230702620 1161044782 /nfs/dbraw/zinc/04/47/82/1161044782.db2.gz WWHHRZRGNCEEIZ-KBPBESRZSA-N 1 0 282.340 1.769 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000148774498 522032229 /nfs/dbraw/zinc/03/22/29/522032229.db2.gz DWQXABMNWXIRIU-SECBINFHSA-N 1 0 251.286 1.180 20 5 CDBDRO Cc1c(CNC(=O)N2CC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000418085132 533854851 /nfs/dbraw/zinc/85/48/51/533854851.db2.gz XCTMJJYXIMLJBS-NSHDSACASA-N 1 0 292.339 1.393 20 5 CDBDRO C[C@@H]([N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000295211004 534285588 /nfs/dbraw/zinc/28/55/88/534285588.db2.gz UQWBUFKBMFAJNQ-MFKMUULPSA-N 1 0 282.340 1.719 20 5 CDBDRO CC(C)[N@H+](C)CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000049399806 519610952 /nfs/dbraw/zinc/61/09/52/519610952.db2.gz VPEGWRUOBSKKDM-UHFFFAOYSA-N 1 0 265.313 1.551 20 5 CDBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000156423359 519613826 /nfs/dbraw/zinc/61/38/26/519613826.db2.gz URRHVYOZLMGOPO-AWEZNQCLSA-N 1 0 291.351 1.895 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000156744697 522049564 /nfs/dbraw/zinc/04/95/64/522049564.db2.gz DMRZNZMKKGXOJF-NSHDSACASA-N 1 0 293.323 1.427 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1OC[C@H]1CC[NH2+]C1 ZINC000051890798 522983774 /nfs/dbraw/zinc/98/37/74/522983774.db2.gz JJFDONRUBLVWCK-VIFPVBQESA-N 1 0 252.270 1.592 20 5 CDBDRO CO[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000188127799 523420903 /nfs/dbraw/zinc/42/09/03/523420903.db2.gz XQQPDRLZDXFREQ-MNOVXSKESA-N 1 0 295.339 1.936 20 5 CDBDRO C[C@H](CN1CCOCC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000049504678 524358060 /nfs/dbraw/zinc/35/80/60/524358060.db2.gz VAGGTPHMBIFMOS-CYBMUJFWSA-N 1 0 293.367 1.448 20 5 CDBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(=O)NCCF ZINC000337266545 525286416 /nfs/dbraw/zinc/28/64/16/525286416.db2.gz VPBKSQLRYDVROW-QZPNVGJNSA-N 1 0 295.314 1.672 20 5 CDBDRO C[C@@H]([NH2+][C@H]1CCC(=O)NC1)c1cccc([N+](=O)[O-])c1 ZINC000111018646 525675784 /nfs/dbraw/zinc/67/57/84/525675784.db2.gz YLLWRHGGGAGMOS-KOLCDFICSA-N 1 0 263.297 1.524 20 5 CDBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000247077058 525773059 /nfs/dbraw/zinc/77/30/59/525773059.db2.gz GUWJGRATUCMPAO-STQMWFEESA-N 1 0 293.367 1.482 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CCCC1 ZINC000236257474 527204580 /nfs/dbraw/zinc/20/45/80/527204580.db2.gz JBLFKBFOHLLVTF-LLVKDONJSA-N 1 0 266.301 1.170 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000365820904 527407057 /nfs/dbraw/zinc/40/70/57/527407057.db2.gz ORGZMGKHTZAKLT-LLVKDONJSA-N 1 0 280.328 1.465 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000050241697 527410073 /nfs/dbraw/zinc/41/00/73/527410073.db2.gz ZISGCQJRFLORSP-QMMMGPOBSA-N 1 0 250.258 1.160 20 5 CDBDRO CC(C)(O)[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000305425851 535323356 /nfs/dbraw/zinc/32/33/56/535323356.db2.gz BMVUWOZWUINWOU-SNVBAGLBSA-N 1 0 268.317 1.027 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000423672607 535778818 /nfs/dbraw/zinc/77/88/18/535778818.db2.gz DZYGPVNRIXBXKE-SNVBAGLBSA-N 1 0 265.313 1.679 20 5 CDBDRO C[NH2+][C@@H](C)Cc1noc(-c2cccc(OC)c2[N+](=O)[O-])n1 ZINC000414651239 536346496 /nfs/dbraw/zinc/34/64/96/536346496.db2.gz VAQLYOVBLGYNPP-QMMMGPOBSA-N 1 0 292.295 1.804 20 5 CDBDRO COC(=O)c1cc(NC(=O)[C@H](C)[C@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000192005168 536555630 /nfs/dbraw/zinc/55/56/30/536555630.db2.gz WBIHWASALJLFQB-SFYZADRCSA-N 1 0 295.295 1.303 20 5 CDBDRO COC[C@]1(CNc2cc(OC)ccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261785717 536688231 /nfs/dbraw/zinc/68/82/31/536688231.db2.gz XGKZSSBEGWSXGC-CQSZACIVSA-N 1 0 295.339 1.784 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CC[C@H](C)[NH3+] ZINC000434687559 536951930 /nfs/dbraw/zinc/95/19/30/536951930.db2.gz DSZLQYWZVOAHDT-VIFPVBQESA-N 1 0 281.312 1.347 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C[NH3+])C(C)C ZINC000433127755 536954645 /nfs/dbraw/zinc/95/46/45/536954645.db2.gz JJVPGPHZCQHNKI-LBPRGKRZSA-N 1 0 295.339 1.451 20 5 CDBDRO CC[N@H+](C[C@H]1CCOC1)Cn1cc([N+](=O)[O-])cn1 ZINC000738081507 574587945 /nfs/dbraw/zinc/58/79/45/574587945.db2.gz LJFDZWKBMVYIGK-SNVBAGLBSA-N 1 0 254.290 1.107 20 5 CDBDRO Cc1c(NNC(=S)NCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000727981331 574608380 /nfs/dbraw/zinc/60/83/80/574608380.db2.gz JEEWNNSUJFSAOZ-UHFFFAOYSA-N 1 0 297.384 1.256 20 5 CDBDRO CNC(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761522433 576580574 /nfs/dbraw/zinc/58/05/74/576580574.db2.gz YWLSYFYSFWZKRZ-UHFFFAOYSA-N 1 0 271.704 1.474 20 5 CDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000742241269 576591400 /nfs/dbraw/zinc/59/14/00/576591400.db2.gz UEPDYEBIICAIGH-LLVKDONJSA-N 1 0 277.324 1.809 20 5 CDBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000755170500 576934198 /nfs/dbraw/zinc/93/41/98/576934198.db2.gz SKJCKJVXLYYCKR-LEWSCRJBSA-N 1 0 280.324 1.785 20 5 CDBDRO Cc1nc(N2C[C@@H](C)[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000123634713 1175253707 /nfs/dbraw/zinc/25/37/07/1175253707.db2.gz XBRVQFPSXBFDLJ-RKDXNWHRSA-N 1 0 250.302 1.485 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1COC[C@H]1C ZINC000932493461 617316213 /nfs/dbraw/zinc/31/62/13/617316213.db2.gz GHZUWFOAAXQQCA-MFKMUULPSA-N 1 0 293.323 1.466 20 5 CDBDRO CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000982946596 614060454 /nfs/dbraw/zinc/06/04/54/614060454.db2.gz KQYJXRLGFWJCBJ-AULYBMBSSA-N 1 0 277.324 1.599 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000892285939 617694972 /nfs/dbraw/zinc/69/49/72/617694972.db2.gz AUJKSELEGFHZLR-JTQLQIEISA-N 1 0 265.317 1.003 20 5 CDBDRO C[C@@H](CNc1c([N+](=O)[O-])cnn1C)[N@@H+]1CCC[C@H](C)C1 ZINC000891829648 617624645 /nfs/dbraw/zinc/62/46/45/617624645.db2.gz HCQKNIAOFIKZBL-QWRGUYRKSA-N 1 0 281.360 1.861 20 5 CDBDRO CO[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591226 617688380 /nfs/dbraw/zinc/68/83/80/617688380.db2.gz HTZOENVAZMZTLF-QWHCGFSZSA-N 1 0 266.297 1.349 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CCC([NH+]2CCCCC2)CC1 ZINC000891892500 617726664 /nfs/dbraw/zinc/72/66/64/617726664.db2.gz JUFJVRIIOKSWBJ-UHFFFAOYSA-N 1 0 293.371 1.783 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[NH+](C)C ZINC000934010448 617839672 /nfs/dbraw/zinc/83/96/72/617839672.db2.gz CAEPGWXJMRYLJA-UHFFFAOYSA-N 1 0 297.380 1.950 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NCC(C)(C)C[NH+]1CCCC1 ZINC000893462685 617948617 /nfs/dbraw/zinc/94/86/17/617948617.db2.gz CKMRDKRMGROWNR-UHFFFAOYSA-N 1 0 281.360 1.862 20 5 CDBDRO C[N@H+]1CC=C(CNc2ccc3nonc3c2[N+](=O)[O-])CC1 ZINC000893099083 618166942 /nfs/dbraw/zinc/16/69/42/618166942.db2.gz HOFWSFKGSPLDER-UHFFFAOYSA-N 1 0 289.295 1.805 20 5 CDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2c2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000893939184 618201356 /nfs/dbraw/zinc/20/13/56/618201356.db2.gz IHHGWIVJCFCMSI-QWRGUYRKSA-N 1 0 287.323 1.383 20 5 CDBDRO Cc1cccc(C(=O)N2CCCN(CC[N+](=O)[O-])CC2)c1 ZINC000791052792 618740124 /nfs/dbraw/zinc/74/01/24/618740124.db2.gz DGWIYUIONGIJTA-UHFFFAOYSA-N 1 0 291.351 1.420 20 5 CDBDRO CCC[C@@H]1CN(c2nc(C)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000895059707 619243647 /nfs/dbraw/zinc/24/36/47/619243647.db2.gz WFDOOJNIDVULLQ-LLVKDONJSA-N 1 0 264.329 1.877 20 5 CDBDRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000895328483 619565865 /nfs/dbraw/zinc/56/58/65/619565865.db2.gz GNBIGCOIPBLBQE-AVXNYWLKSA-N 1 0 292.335 1.426 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCC2)c1C ZINC000897169571 620402304 /nfs/dbraw/zinc/40/23/04/620402304.db2.gz DZVZVHYIGFXYEE-UHFFFAOYSA-N 1 0 277.324 1.647 20 5 CDBDRO C[C@@H](C[NH2+]CC[N+](=O)[O-])COCc1ccccc1 ZINC000899873494 622499236 /nfs/dbraw/zinc/49/92/36/622499236.db2.gz PZGFGGFYTZBEGU-LBPRGKRZSA-N 1 0 252.314 1.706 20 5 CDBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC[N+](=O)[O-])C1 ZINC000899873989 622500505 /nfs/dbraw/zinc/50/05/05/622500505.db2.gz XAIXMSPGGFDYNE-TZMCWYRMSA-N 1 0 263.341 1.688 20 5 CDBDRO Cc1ccc([C@H](C[NH2+]CC[N+](=O)[O-])N(C)C)cc1 ZINC000905066491 626613884 /nfs/dbraw/zinc/61/38/84/626613884.db2.gz SAUMNQIEOAKHNE-ZDUSSCGKSA-N 1 0 251.330 1.464 20 5 CDBDRO Cc1cccc(C)c1OC[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905070390 626616265 /nfs/dbraw/zinc/61/62/65/626616265.db2.gz ZJSWOVIMJVICKU-LBPRGKRZSA-N 1 0 252.314 1.937 20 5 CDBDRO Cc1ccc([C@@H](CNCC[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000905073525 626617714 /nfs/dbraw/zinc/61/77/14/626617714.db2.gz DENMSIVVUJNGMB-OAHLLOKOSA-N 1 0 277.368 1.998 20 5 CDBDRO CN(C)c1cc(C[NH2+]CC[N+](=O)[O-])c2ccccc2n1 ZINC000905145434 626656708 /nfs/dbraw/zinc/65/67/08/626656708.db2.gz MYXVGNFYAYGQSV-UHFFFAOYSA-N 1 0 274.324 1.667 20 5 CDBDRO O=C1C[C@H]([NH2+]CC[N+](=O)[O-])CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000905146951 626658442 /nfs/dbraw/zinc/65/84/42/626658442.db2.gz UHEKHPLZAVBLSX-MJBXVCDLSA-N 1 0 289.335 1.010 20 5 CDBDRO COc1cccc2[nH]cc(CC[NH2+]CC[N+](=O)[O-])c21 ZINC000905200315 626688009 /nfs/dbraw/zinc/68/80/09/626688009.db2.gz GFPOCQNCXCIAQV-UHFFFAOYSA-N 1 0 263.297 1.585 20 5 CDBDRO CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905281329 626735647 /nfs/dbraw/zinc/73/56/47/626735647.db2.gz SOVZGSYZUWVCSK-WDEREUQCSA-N 1 0 287.360 1.546 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)c1c(F)cccc1Cl ZINC000905357574 626768025 /nfs/dbraw/zinc/76/80/25/626768025.db2.gz AXKHMCYBTBRGKN-SECBINFHSA-N 1 0 262.668 1.379 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000905376356 626792085 /nfs/dbraw/zinc/79/20/85/626792085.db2.gz TXFGDWOYNJIXAN-OLZOCXBDSA-N 1 0 250.298 1.019 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C1 ZINC000150987986 630306890 /nfs/dbraw/zinc/30/68/90/630306890.db2.gz AMXZXIVIEXAXIA-NSHDSACASA-N 1 0 295.314 1.866 20 5 CDBDRO C[C@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000914738693 631556574 /nfs/dbraw/zinc/55/65/74/631556574.db2.gz PDNZZLYEGCXJFS-DHHDDZJSSA-N 1 0 277.324 1.674 20 5 CDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000918693745 632422918 /nfs/dbraw/zinc/42/29/18/632422918.db2.gz NSOCRGZNOQVSQL-JTQLQIEISA-N 1 0 285.369 1.972 20 5 CDBDRO CC(C)(CCC(=O)NCC[N@@H+]1CCC(C)(C)C1)[N+](=O)[O-] ZINC000890068944 633247525 /nfs/dbraw/zinc/24/75/25/633247525.db2.gz LMHJEXRFDKBIQU-UHFFFAOYSA-N 1 0 285.388 1.670 20 5 CDBDRO CN(CC[NH3+])CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC001170502063 1162663741 /nfs/dbraw/zinc/66/37/41/1162663741.db2.gz KFMLLCRYJKMRIZ-UHFFFAOYSA-N 1 0 289.339 1.445 20 5 CDBDRO C[C@H]([NH3+])c1ccn(-c2cc(Cl)ncc2[N+](=O)[O-])n1 ZINC001158350115 1162906743 /nfs/dbraw/zinc/90/67/43/1162906743.db2.gz XYASYWKKQVJWCJ-LURJTMIESA-N 1 0 267.676 1.849 20 5 CDBDRO CC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000236648015 1159549284 /nfs/dbraw/zinc/54/92/84/1159549284.db2.gz QIIJVZWBMUDAAJ-UHFFFAOYSA-N 1 0 257.315 1.272 20 5 CDBDRO Cc1c([N+](=O)[O-])cc(F)cc1-n1cc(CC[NH3+])cn1 ZINC001168946002 1161994673 /nfs/dbraw/zinc/99/46/73/1161994673.db2.gz DUDGJIBYBOSYPE-UHFFFAOYSA-N 1 0 264.260 1.729 20 5 CDBDRO CC(C)(C)[C@@H]([NH3+])c1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642843 1164568410 /nfs/dbraw/zinc/56/84/10/1164568410.db2.gz XNJRGKGUJHAXOC-VIFPVBQESA-N 1 0 255.322 1.379 20 5 CDBDRO C[C@@]([NH3+])(C(=O)NC[C@@H]1CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000870884766 1165227403 /nfs/dbraw/zinc/22/74/03/1165227403.db2.gz INMDMBHMIIFRFR-NHYWBVRUSA-N 1 0 291.351 1.931 20 5 CDBDRO Cc1c(C[NH2+][C@H](CO)CCF)cccc1[N+](=O)[O-] ZINC000873132617 1165514412 /nfs/dbraw/zinc/51/44/12/1165514412.db2.gz AFFGXSYPZXQMEQ-NSHDSACASA-N 1 0 256.277 1.713 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C1CSC1)OCCO2 ZINC000877635532 1166070526 /nfs/dbraw/zinc/07/05/26/1166070526.db2.gz VBHKZRBUALMHSS-UHFFFAOYSA-N 1 0 282.321 1.571 20 5 CDBDRO COc1cc(N2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000111051103 1166985794 /nfs/dbraw/zinc/98/57/94/1166985794.db2.gz AQPVOUQFRGVUCF-VIFPVBQESA-N 1 0 251.286 1.531 20 5 CDBDRO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CC1CC[NH2+]CC1 ZINC000059447475 1167301404 /nfs/dbraw/zinc/30/14/04/1167301404.db2.gz POWFQRVLGDSJKC-UHFFFAOYSA-N 1 0 289.291 1.190 20 5 CDBDRO CN(C[C@@H]1CC[NH2+]1)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001578452757 1171917684 /nfs/dbraw/zinc/91/76/84/1171917684.db2.gz ILBMYIZUROONFO-IACUBPJLSA-N 1 0 289.335 1.519 20 5 CDBDRO COc1ccc(NC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001579229145 1172121967 /nfs/dbraw/zinc/12/19/67/1172121967.db2.gz RUVARQSCGUJVNC-IUCAKERBSA-N 1 0 294.311 1.557 20 5 CDBDRO COc1ccc2ncc([N+](=O)[O-])c(NCC3([NH3+])CC3)c2c1 ZINC001579259726 1172128655 /nfs/dbraw/zinc/12/86/55/1172128655.db2.gz QTFPRVHJJCUMAY-UHFFFAOYSA-N 1 0 288.307 1.477 20 5 CDBDRO C[C@@H](NC(=O)[C@]12CC[C@H]1C[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001579413253 1172171474 /nfs/dbraw/zinc/17/14/74/1172171474.db2.gz VHSQKZWGGGVAKX-ZETOZRRWSA-N 1 0 289.335 1.772 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+][C@@H]2C)c1C ZINC001579734269 1172251248 /nfs/dbraw/zinc/25/12/48/1172251248.db2.gz CFQAZYUQGVDYON-MNOVXSKESA-N 1 0 277.324 1.692 20 5 CDBDRO O=C(NC[C@H]1CC[NH2+]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001580661783 1172504714 /nfs/dbraw/zinc/50/47/14/1172504714.db2.gz UUXMZZWKYGNXSW-SECBINFHSA-N 1 0 286.291 1.235 20 5 CDBDRO O=[N+]([O-])c1cnccc1NC[C@H]1CCC[NH2+]CC1 ZINC001580876863 1172559055 /nfs/dbraw/zinc/55/90/55/1172559055.db2.gz XZQYPAOMVGXBBE-JTQLQIEISA-N 1 0 250.302 1.213 20 5 CDBDRO C[NH2+]C[C@H]1CCN(c2ncc(C)cc2[N+](=O)[O-])C1 ZINC000090692610 1174188631 /nfs/dbraw/zinc/18/86/31/1174188631.db2.gz YQDYJSBARQCZPB-SNVBAGLBSA-N 1 0 250.302 1.344 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CN3CCC2CC3)cc1 ZINC000158615799 1178224979 /nfs/dbraw/zinc/22/49/79/1178224979.db2.gz VOXJVZORHGZDLO-GJZGRUSLSA-N 1 0 291.351 1.312 20 5 CDBDRO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CC(C)(C)C1 ZINC001753048682 1185018198 /nfs/dbraw/zinc/01/81/98/1185018198.db2.gz BIZJIDXNBQLZFI-VXGBXAGGSA-N 1 0 283.372 1.136 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866372069 1164774673 /nfs/dbraw/zinc/77/46/73/1164774673.db2.gz CSQBHANSFOZMLL-DUFXMDAXSA-N 1 0 298.314 1.668 20 5 CDBDRO C[NH+](C)CC1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000868631624 1164973072 /nfs/dbraw/zinc/97/30/72/1164973072.db2.gz XGTFRNPBYUYNMW-UHFFFAOYSA-N 1 0 295.314 1.296 20 5 CDBDRO Cc1cc(F)cc(C(=O)N(C)C[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000877101632 1165975269 /nfs/dbraw/zinc/97/52/69/1165975269.db2.gz NZFKCXJJLSNISX-QMMMGPOBSA-N 1 0 269.276 1.462 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000877592058 1166063839 /nfs/dbraw/zinc/06/38/39/1166063839.db2.gz KRQHCYIZIVQFKQ-WFASDCNBSA-N 1 0 294.351 1.387 20 5 CDBDRO CN(CCN1CCOCC1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000171858159 912250948 /nfs/dbraw/zinc/25/09/48/912250948.db2.gz PPNWTPCFDKSBTR-UHFFFAOYSA-N 1 0 297.330 1.498 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(C)C1=O ZINC001173215533 912296577 /nfs/dbraw/zinc/29/65/77/912296577.db2.gz WNOXDJBRHKBDCS-MFKMUULPSA-N 1 0 277.324 1.346 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC(=O)N(C)C1 ZINC001173215762 912297965 /nfs/dbraw/zinc/29/79/65/912297965.db2.gz ZKXQFMXEHRAIRS-AAEUAGOBSA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC(=O)NC1 ZINC001173216402 912299405 /nfs/dbraw/zinc/29/94/05/912299405.db2.gz JBJROSJEDOGUJN-AAEUAGOBSA-N 1 0 291.351 1.642 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCn1cnnc1 ZINC001173235865 912331220 /nfs/dbraw/zinc/33/12/20/912331220.db2.gz VLTBNRDPAPNOPV-NSHDSACASA-N 1 0 275.312 1.407 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCNC1=O ZINC001173213874 912336464 /nfs/dbraw/zinc/33/64/64/912336464.db2.gz LNSHCFGLBDFMLI-MFKMUULPSA-N 1 0 277.324 1.394 20 5 CDBDRO C[N@@H+]1CCC[C@H](Oc2ccnc([N+](=O)[O-])c2)CC1 ZINC001233857120 913087958 /nfs/dbraw/zinc/08/79/58/913087958.db2.gz JXSNKPSULGRXOF-JTQLQIEISA-N 1 0 251.286 1.853 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C[NH3+])C1 ZINC000050247366 895577626 /nfs/dbraw/zinc/57/76/26/895577626.db2.gz BKIFLFSTWCMCIS-JTQLQIEISA-N 1 0 265.313 1.384 20 5 CDBDRO CCN1C[C@@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1=O ZINC000834889772 895976504 /nfs/dbraw/zinc/97/65/04/895976504.db2.gz JNKRPQZQXUJVGX-ONGXEEELSA-N 1 0 292.339 1.448 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1NCC1(O)CCOCC1)C[NH2+]C2 ZINC001167551719 896767464 /nfs/dbraw/zinc/76/74/64/896767464.db2.gz PFZHMYYFXHYIKQ-UHFFFAOYSA-N 1 0 293.323 1.151 20 5 CDBDRO Cn1cc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000158666099 896946325 /nfs/dbraw/zinc/94/63/25/896946325.db2.gz GPJGRGNUNDZARS-CQSZACIVSA-N 1 0 290.323 1.194 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCOCC(F)F)cc1 ZINC000236526770 898415788 /nfs/dbraw/zinc/41/57/88/898415788.db2.gz ASGIYSCYBNNXPV-NSHDSACASA-N 1 0 290.266 1.500 20 5 CDBDRO [NH3+]Cc1nn(-c2nccnc2[N+](=O)[O-])c2ccccc12 ZINC001167695123 898473218 /nfs/dbraw/zinc/47/32/18/898473218.db2.gz CRQAETYVPKUAJU-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO C[C@H](O)C[N@H+](CCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000311932027 899108774 /nfs/dbraw/zinc/10/87/74/899108774.db2.gz WBNCMEXXYGPDLJ-VIFPVBQESA-N 1 0 288.731 1.423 20 5 CDBDRO CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001025640966 899118459 /nfs/dbraw/zinc/11/84/59/899118459.db2.gz USUQYLBFYDYPRY-WDNDVIMCSA-N 1 0 275.308 1.161 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1O[C@H](C)C[N+](C)(C)C ZINC001226764904 905591539 /nfs/dbraw/zinc/59/15/39/905591539.db2.gz OINDCSWDKBCOEE-SNVBAGLBSA-N 1 0 254.310 1.772 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000323062919 909046481 /nfs/dbraw/zinc/04/64/81/909046481.db2.gz UPEDVGPRVXTUGW-QMMMGPOBSA-N 1 0 285.731 1.862 20 5 CDBDRO C[C@]1(c2nc(-c3ccc([N+](=O)[O-])o3)no2)CC[NH2+]C1 ZINC000843237419 921469138 /nfs/dbraw/zinc/46/91/38/921469138.db2.gz AHZJWTXEDOQZTP-NSHDSACASA-N 1 0 264.241 1.489 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc(CC[C@@H]3CC[NH2+]C3)n2)o1 ZINC000843237458 921469996 /nfs/dbraw/zinc/46/99/96/921469996.db2.gz BQONRZQGWNGQLS-MRVPVSSYSA-N 1 0 278.268 1.780 20 5 CDBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1F)[NH+](C)C ZINC000697905119 909565915 /nfs/dbraw/zinc/56/59/15/909565915.db2.gz FHYGKGKRVUDIIA-VIFPVBQESA-N 1 0 283.303 1.804 20 5 CDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000715082092 909799066 /nfs/dbraw/zinc/79/90/66/909799066.db2.gz OAAUWDSDVSFBLM-FCVNMTFCSA-N 1 0 275.308 1.462 20 5 CDBDRO Cc1cc(C(=O)NC[C@H]2C[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000715140597 909841301 /nfs/dbraw/zinc/84/13/01/909841301.db2.gz HRRCTLUGZZHEFD-HOMQSWHASA-N 1 0 263.297 1.370 20 5 CDBDRO CN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000159910080 909849856 /nfs/dbraw/zinc/84/98/56/909849856.db2.gz YJPLTHOEDNEHSY-LBPRGKRZSA-N 1 0 278.312 1.796 20 5 CDBDRO Cc1ccc(F)cc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932166 909885846 /nfs/dbraw/zinc/88/58/46/909885846.db2.gz KEFCAKLBNKHXSK-CHWSQXEVSA-N 1 0 295.314 1.005 20 5 CDBDRO [NH3+]Cc1nccnc1Nc1cc([N+](=O)[O-])c2nccn2c1 ZINC001171447975 910656071 /nfs/dbraw/zinc/65/60/71/910656071.db2.gz RSEVCPOKOXBHSH-UHFFFAOYSA-N 1 0 285.267 1.235 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OC[C@@H]1CCC[N@@H+]1C ZINC001224816921 910949318 /nfs/dbraw/zinc/94/93/18/910949318.db2.gz CFYLFNIUZPROBL-PWSUYJOCSA-N 1 0 282.344 1.599 20 5 CDBDRO [NH3+]CCCCc1cn(Cc2cc(F)ccc2[N+](=O)[O-])nn1 ZINC000228374656 911890152 /nfs/dbraw/zinc/89/01/52/911890152.db2.gz AIUVQBMPAWHZEA-UHFFFAOYSA-N 1 0 293.302 1.655 20 5 CDBDRO NC(=[NH2+])c1nccn1-c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001168411901 911908465 /nfs/dbraw/zinc/90/84/65/911908465.db2.gz PEEPMZGCZKDYGG-UHFFFAOYSA-N 1 0 282.263 1.613 20 5 CDBDRO CN(C)[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001120469757 911967055 /nfs/dbraw/zinc/96/70/55/911967055.db2.gz WOMQGBJNHQACBK-GJZGRUSLSA-N 1 0 293.367 1.558 20 5 CDBDRO [NH3+]CCCc1cn(Cc2cc(Cl)ccc2[N+](=O)[O-])nn1 ZINC000229827679 912185287 /nfs/dbraw/zinc/18/52/87/912185287.db2.gz VRPCWBKJDOLVRH-UHFFFAOYSA-N 1 0 295.730 1.779 20 5 CDBDRO CC(C)CCO[C@@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000175242063 914999772 /nfs/dbraw/zinc/99/97/72/914999772.db2.gz UPJJBRFFDYGJOW-GFCCVEGCSA-N 1 0 282.344 1.886 20 5 CDBDRO CC1(C)CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000175410328 915021686 /nfs/dbraw/zinc/02/16/86/915021686.db2.gz QJKKIVJJQWKMAL-UHFFFAOYSA-N 1 0 278.312 1.001 20 5 CDBDRO Cc1cc(C(=O)N2CCC(C[NH3+])CC2)c(N)c([N+](=O)[O-])c1 ZINC000237677942 915268289 /nfs/dbraw/zinc/26/82/89/915268289.db2.gz JASQKAMNPJJZTO-UHFFFAOYSA-N 1 0 292.339 1.296 20 5 CDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cocn1 ZINC001124778906 917631112 /nfs/dbraw/zinc/63/11/12/917631112.db2.gz VZHTZUKSGMKHKX-UHFFFAOYSA-N 1 0 290.279 1.102 20 5 CDBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCC1 ZINC000831549635 936517128 /nfs/dbraw/zinc/51/71/28/936517128.db2.gz HNPXDRZXZKTHMK-UHFFFAOYSA-N 1 0 294.267 1.114 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700601722 922250189 /nfs/dbraw/zinc/25/01/89/922250189.db2.gz DSSKQIXMYFEIES-ZETCQYMHSA-N 1 0 271.704 1.667 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000702054679 922464321 /nfs/dbraw/zinc/46/43/21/922464321.db2.gz VGVITVHIXZWDID-SKDRFNHKSA-N 1 0 295.726 1.682 20 5 CDBDRO C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]C1 ZINC000702068568 922468408 /nfs/dbraw/zinc/46/84/08/922468408.db2.gz YBTBCHZZAHTOPL-GFCCVEGCSA-N 1 0 283.715 1.730 20 5 CDBDRO CC(C)C[C@H](CO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158628082 923569830 /nfs/dbraw/zinc/56/98/30/923569830.db2.gz UDQWHXDLJQZSTB-OCCSQVGLSA-N 1 0 282.340 1.625 20 5 CDBDRO CC1(C)C[NH2+]CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923291156 923712346 /nfs/dbraw/zinc/71/23/46/923712346.db2.gz ARFXYOLZSIFSSC-ZDUSSCGKSA-N 1 0 279.340 1.312 20 5 CDBDRO CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000923361700 923790519 /nfs/dbraw/zinc/79/05/19/923790519.db2.gz KYKDSTQQALHEDP-GDKBPFBDSA-N 1 0 265.313 1.050 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000839647797 936917545 /nfs/dbraw/zinc/91/75/45/936917545.db2.gz WKYZKQSYWUZYFG-GWCFXTLKSA-N 1 0 298.314 1.611 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1nc2c(ncnc2Cl)n1C ZINC001231046143 925612659 /nfs/dbraw/zinc/61/26/59/925612659.db2.gz LEEYQSINRFJPQK-MRVPVSSYSA-N 1 0 284.771 1.490 20 5 CDBDRO Cc1nc(NC[C@]2(F)CCCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001155117843 926548414 /nfs/dbraw/zinc/54/84/14/926548414.db2.gz IBOKRQSSJCGWCT-LBPRGKRZSA-N 1 0 283.307 1.587 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(COCC[NH3+])n1 ZINC000843186879 937119139 /nfs/dbraw/zinc/11/91/39/937119139.db2.gz GQWRFLZHFBYLDM-UHFFFAOYSA-N 1 0 278.268 1.429 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(CCCCCC[NH3+])n1 ZINC000843222408 937122451 /nfs/dbraw/zinc/12/24/51/937122451.db2.gz HZNHGCSCIDPWCF-UHFFFAOYSA-N 1 0 294.315 1.440 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@H]2CCC[NH2+]CC2)c1[N+](=O)[O-] ZINC000843470416 937153467 /nfs/dbraw/zinc/15/34/67/937153467.db2.gz FOUVOGUBFJCTIC-NSHDSACASA-N 1 0 295.314 1.914 20 5 CDBDRO [NH3+]CCCCCCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000843509803 937157803 /nfs/dbraw/zinc/15/78/03/937157803.db2.gz PVYMBYYEQYCGRY-UHFFFAOYSA-N 1 0 295.339 1.609 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@H]([NH3+])C2)n1 ZINC001156228192 927487599 /nfs/dbraw/zinc/48/75/99/927487599.db2.gz CHFPNMOCNJSFIO-ZETCQYMHSA-N 1 0 256.693 1.489 20 5 CDBDRO Cc1cc(Cl)nc(N2CC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001156228884 927492082 /nfs/dbraw/zinc/49/20/82/927492082.db2.gz PIRQCSWDBHAAJM-ZETCQYMHSA-N 1 0 256.693 1.489 20 5 CDBDRO COc1cc(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)ccn1 ZINC001168976275 927563906 /nfs/dbraw/zinc/56/39/06/927563906.db2.gz CFVVVSPNAOVZFF-STQMWFEESA-N 1 0 279.340 1.668 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC001168984325 927573708 /nfs/dbraw/zinc/57/37/08/927573708.db2.gz LYZFOWHKFDJOKU-KOLCDFICSA-N 1 0 253.277 1.756 20 5 CDBDRO COC(=O)C1CC(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168985402 927575761 /nfs/dbraw/zinc/57/57/61/927575761.db2.gz FBDRDMJOAZYXCE-WNYYMSAVSA-N 1 0 270.329 1.221 20 5 CDBDRO Cc1nn(C)c(C)c1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168956891 927577148 /nfs/dbraw/zinc/57/71/48/927577148.db2.gz CMZYUIBICBXARZ-RYUDHWBXSA-N 1 0 266.345 1.572 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)C1 ZINC001168963038 927585108 /nfs/dbraw/zinc/58/51/08/927585108.db2.gz NNQGDZQAJXECIF-OLZOCXBDSA-N 1 0 292.335 1.993 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ncc(F)cn2)C1 ZINC001168964515 927587881 /nfs/dbraw/zinc/58/78/81/927587881.db2.gz ULVJYNANXXKMGG-WCBMZHEXSA-N 1 0 254.265 1.151 20 5 CDBDRO COC(=O)C(C)(C)C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168966273 927590037 /nfs/dbraw/zinc/59/00/37/927590037.db2.gz HFXBEHXLCPJLSH-UWVGGRQHSA-N 1 0 258.318 1.221 20 5 CDBDRO COc1ccnc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168969782 927591207 /nfs/dbraw/zinc/59/12/07/927591207.db2.gz FIONMVKQYCECEH-GHMZBOCLSA-N 1 0 265.313 1.625 20 5 CDBDRO Cc1nn(C)cc1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968099 927592479 /nfs/dbraw/zinc/59/24/79/927592479.db2.gz VPPYIBBONVAZNE-PWSUYJOCSA-N 1 0 252.318 1.264 20 5 CDBDRO CCOC(=O)CCCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168970938 927593693 /nfs/dbraw/zinc/59/36/93/927593693.db2.gz JHTYHSZMUJRVAD-NWDGAFQWSA-N 1 0 272.345 1.755 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc(F)n2)C1 ZINC001168973506 927597524 /nfs/dbraw/zinc/59/75/24/927597524.db2.gz OUXMIHZHACJPRB-ZJUUUORDSA-N 1 0 253.277 1.756 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CCN(CC3CC3)C2)C1 ZINC001168996579 927603250 /nfs/dbraw/zinc/60/32/50/927603250.db2.gz WHYYEUHEHSRWQM-MJBXVCDLSA-N 1 0 267.373 1.506 20 5 CDBDRO O=C(NCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccs1 ZINC001169001422 927605282 /nfs/dbraw/zinc/60/52/82/927605282.db2.gz FUXIAONUOVFZQV-WDEREUQCSA-N 1 0 297.380 1.513 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](CO)c2cccnc2)C1 ZINC001169003110 927605614 /nfs/dbraw/zinc/60/56/14/927605614.db2.gz NJTMMQYWRJGALO-RAIGVLPGSA-N 1 0 265.313 1.150 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCOc2ccncc2)C1 ZINC001169004594 927609048 /nfs/dbraw/zinc/60/90/48/927609048.db2.gz RFSJIMLZOHPONH-VXGBXAGGSA-N 1 0 265.313 1.495 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCn3ccnc3C2)C1 ZINC001169010086 927613953 /nfs/dbraw/zinc/61/39/53/927613953.db2.gz ATVOYGJUGYPCDU-GHMZBOCLSA-N 1 0 250.302 1.144 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(N3CCOCC3)CC2)C1 ZINC001169009031 927614568 /nfs/dbraw/zinc/61/45/68/927614568.db2.gz UJXLOIZOOJXWAZ-ZFWWWQNUSA-N 1 0 297.399 1.228 20 5 CDBDRO C[C@@]1(O)CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169011299 927616254 /nfs/dbraw/zinc/61/62/54/927616254.db2.gz JOOZYANFTGECEY-FIQHERPVSA-N 1 0 260.309 1.227 20 5 CDBDRO COC(=O)N1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169014436 927620333 /nfs/dbraw/zinc/62/03/33/927620333.db2.gz ZPLTVBCLVLSWQA-RYUDHWBXSA-N 1 0 285.344 1.206 20 5 CDBDRO CC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCN(C)CC1 ZINC001169029095 927634685 /nfs/dbraw/zinc/63/46/85/927634685.db2.gz UGTUMJIHCIWKSY-OCCSQVGLSA-N 1 0 269.389 1.848 20 5 CDBDRO Cc1cnc(C[NH3+])n1-c1cccc2ncc([N+](=O)[O-])n21 ZINC001169030799 927638071 /nfs/dbraw/zinc/63/80/71/927638071.db2.gz MHLYMSNNSPBLKW-UHFFFAOYSA-N 1 0 272.268 1.195 20 5 CDBDRO CO[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169033020 927638501 /nfs/dbraw/zinc/63/85/01/927638501.db2.gz BCNUPRDGEYWLDI-FRRDWIJNSA-N 1 0 256.346 1.933 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(CCF)CC2)C1 ZINC001169035991 927644382 /nfs/dbraw/zinc/64/43/82/927644382.db2.gz MKBNAMZRUVQFTQ-VXGBXAGGSA-N 1 0 259.325 1.019 20 5 CDBDRO Cc1nc2c(n1[C@H]1CC[C@H](C[N+](=O)[O-])C1)C[NH2+]CC2 ZINC001169039908 927652582 /nfs/dbraw/zinc/65/25/82/927652582.db2.gz VQFRNHNJNLSGFQ-QWRGUYRKSA-N 1 0 264.329 1.455 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@]23CCOC3)C1 ZINC001169040041 927654217 /nfs/dbraw/zinc/65/42/17/927654217.db2.gz XEFYPJLVPKCIRC-UPJWGTAASA-N 1 0 254.330 1.687 20 5 CDBDRO CC(C)(O)CCN1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169042813 927656918 /nfs/dbraw/zinc/65/69/18/927656918.db2.gz GALPFZQHVHJFSQ-UONOGXRCSA-N 1 0 299.415 1.210 20 5 CDBDRO Cn1ncc2c1CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169043815 927657720 /nfs/dbraw/zinc/65/77/20/927657720.db2.gz HVZAVBKJWSGWON-CMPLNLGQSA-N 1 0 264.329 1.224 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CC3(C2)CCOCC3)C1 ZINC001169021895 927664042 /nfs/dbraw/zinc/66/40/42/927664042.db2.gz AYKBXDXOGGNMOT-NEPJUHHUSA-N 1 0 254.330 1.544 20 5 CDBDRO CN1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2cccnc21 ZINC001169026223 927666677 /nfs/dbraw/zinc/66/66/77/927666677.db2.gz WADQZAOOLASDJI-JSGCOSHPSA-N 1 0 290.367 1.779 20 5 CDBDRO CN(C)C(=O)NC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169050396 927668450 /nfs/dbraw/zinc/66/84/50/927668450.db2.gz ZGTWKKKTBPFELR-DGCLKSJQSA-N 1 0 298.387 1.167 20 5 CDBDRO CCOC(=O)C[N@H+](C1CC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169050439 927669394 /nfs/dbraw/zinc/66/93/94/927669394.db2.gz ZQXIUBXMBVJFSL-CMPLNLGQSA-N 1 0 270.329 1.459 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(N3CCC3)CC2)C1 ZINC001169052551 927669503 /nfs/dbraw/zinc/66/95/03/927669503.db2.gz HEJGJPQYISKVFO-OCCSQVGLSA-N 1 0 267.373 1.602 20 5 CDBDRO CCN1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H]1C ZINC001169057488 927676002 /nfs/dbraw/zinc/67/60/02/927676002.db2.gz VZTRSEFLKMPLAR-AGIUHOORSA-N 1 0 255.362 1.458 20 5 CDBDRO CC(C)(C)C[N@H+](CCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581658 927758357 /nfs/dbraw/zinc/75/83/57/927758357.db2.gz GJOLQPJYKNYNRG-AWEZNQCLSA-N 1 0 296.367 1.969 20 5 CDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000110796403 927846429 /nfs/dbraw/zinc/84/64/29/927846429.db2.gz OTZVDWQNQCVKOT-VIFPVBQESA-N 1 0 297.742 1.978 20 5 CDBDRO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000852702881 927849422 /nfs/dbraw/zinc/84/94/22/927849422.db2.gz KHXFAXXLPSCICN-BYCMXARLSA-N 1 0 294.351 1.579 20 5 CDBDRO C[C@@H](C[NH3+])Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000853015804 927931790 /nfs/dbraw/zinc/93/17/90/927931790.db2.gz FMGOWFMHGZBGHV-VIFPVBQESA-N 1 0 298.318 1.330 20 5 CDBDRO C[NH2+]C[C@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000853249843 927994109 /nfs/dbraw/zinc/99/41/09/927994109.db2.gz WMLNOZHKNGZUQP-QMMMGPOBSA-N 1 0 257.721 1.946 20 5 CDBDRO C[NH+](C)CCC(C)(C)Nc1ccc([N+](=O)[O-])c(C(N)=O)n1 ZINC001169712069 928365487 /nfs/dbraw/zinc/36/54/87/928365487.db2.gz WIHTUWWECJVMNG-UHFFFAOYSA-N 1 0 295.343 1.231 20 5 CDBDRO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000856358666 928584792 /nfs/dbraw/zinc/58/47/92/928584792.db2.gz SOWHOXBSQBGMPM-MGPQQGTHSA-N 1 0 289.335 1.042 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000857115765 928667291 /nfs/dbraw/zinc/66/72/91/928667291.db2.gz SIUGKLULDWXCBI-JTQLQIEISA-N 1 0 280.328 1.474 20 5 CDBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000785517241 929152359 /nfs/dbraw/zinc/15/23/59/929152359.db2.gz JBKXWJYFZVVUKV-HONMWMINSA-N 1 0 280.324 1.331 20 5 CDBDRO Cc1nn(CCC(=O)OCC[NH+]2CCC2)c(C)c1[N+](=O)[O-] ZINC000861386974 929287319 /nfs/dbraw/zinc/28/73/19/929287319.db2.gz SPGDGHPBQRKUPC-UHFFFAOYSA-N 1 0 296.327 1.047 20 5 CDBDRO O=C(COc1cccc([N+](=O)[O-])c1)OCC[NH+]1CCC1 ZINC000861386380 929287556 /nfs/dbraw/zinc/28/75/56/929287556.db2.gz WQFGENMQLVMOGV-UHFFFAOYSA-N 1 0 280.280 1.223 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](CF)C2)c1 ZINC000880296750 929646464 /nfs/dbraw/zinc/64/64/64/929646464.db2.gz FYXKSMBIGBXXRW-ZWNOBZJWSA-N 1 0 268.288 1.920 20 5 CDBDRO C[C@@H]([NH3+])c1cn([C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000881100280 929781687 /nfs/dbraw/zinc/78/16/87/929781687.db2.gz GBKNFPVQVXVVKF-RKDXNWHRSA-N 1 0 261.285 1.815 20 5 CDBDRO Cc1c(N[C@H]2C[NH2+]C[C@@H]2CO)cc(F)cc1[N+](=O)[O-] ZINC001170774210 929925893 /nfs/dbraw/zinc/92/58/93/929925893.db2.gz AKJDWVMGGGILPR-KCJUWKMLSA-N 1 0 269.276 1.035 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H](CO)CC2)cc1 ZINC000815272745 929971873 /nfs/dbraw/zinc/97/18/73/929971873.db2.gz VWKZREXMNVFYDU-DOMZBBRYSA-N 1 0 294.351 1.723 20 5 CDBDRO O=C1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CN1CC1CC1 ZINC000883404193 930193499 /nfs/dbraw/zinc/19/34/99/930193499.db2.gz SBJXMXONLNNYMA-ZDUSSCGKSA-N 1 0 289.335 1.695 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000131835994 930204764 /nfs/dbraw/zinc/20/47/64/930204764.db2.gz DSVQIKWTGWQWOP-GHMZBOCLSA-N 1 0 277.324 1.333 20 5 CDBDRO CN(CCn1ccc([N+](=O)[O-])n1)C1(C[NH3+])CCCCC1 ZINC000883453906 930208787 /nfs/dbraw/zinc/20/87/87/930208787.db2.gz JLMZSWANQCCTSB-UHFFFAOYSA-N 1 0 281.360 1.385 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]C2)c1C ZINC000884016345 930386976 /nfs/dbraw/zinc/38/69/76/930386976.db2.gz UDMPSPOLVJDJNK-JTQLQIEISA-N 1 0 263.297 1.303 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])c2nonc21 ZINC000817131707 930441956 /nfs/dbraw/zinc/44/19/56/930441956.db2.gz LRDZPLSYHRLXDY-VIFPVBQESA-N 1 0 291.311 1.661 20 5 CDBDRO Cc1nn(CN(C)C[C@@H]2CCC[N@@H+]2C)c(C)c1[N+](=O)[O-] ZINC000817374663 930514099 /nfs/dbraw/zinc/51/40/99/930514099.db2.gz UOCVNDOXMMZWKG-LBPRGKRZSA-N 1 0 281.360 1.392 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001170866302 930525193 /nfs/dbraw/zinc/52/51/93/930525193.db2.gz UXHGATLCKVNYDG-LBPRGKRZSA-N 1 0 264.285 1.545 20 5 CDBDRO Cc1sc(C(=O)N[C@@H]2C[C@@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000884352457 930533183 /nfs/dbraw/zinc/53/31/83/930533183.db2.gz IZZLZZYTZVQLON-NXEZZACHSA-N 1 0 283.353 1.820 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000884420423 930560333 /nfs/dbraw/zinc/56/03/33/930560333.db2.gz RUFSPDYWGDSFCY-SECBINFHSA-N 1 0 265.313 1.549 20 5 CDBDRO [NH3+]C1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000135222389 930612949 /nfs/dbraw/zinc/61/29/49/930612949.db2.gz LEORSBKBJXVYTC-UHFFFAOYSA-N 1 0 277.324 1.523 20 5 CDBDRO C[C@H](NC1CC[NH2+]CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817936870 930635835 /nfs/dbraw/zinc/63/58/35/930635835.db2.gz RXCFDCUTUFYRAY-VIFPVBQESA-N 1 0 264.329 1.580 20 5 CDBDRO Cc1c(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000818015212 930673313 /nfs/dbraw/zinc/67/33/13/930673313.db2.gz LMEPWBAKRRTZDT-OAHLLOKOSA-N 1 0 289.335 1.871 20 5 CDBDRO CC1(C)C[NH2+][C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000818433113 930707421 /nfs/dbraw/zinc/70/74/21/930707421.db2.gz MGQYNTYUCOSZKU-NSHDSACASA-N 1 0 297.742 1.862 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819059955 930751472 /nfs/dbraw/zinc/75/14/72/930751472.db2.gz JGFAEQPIMGZECP-FZMZJTMJSA-N 1 0 281.356 1.558 20 5 CDBDRO COC(=O)CC(C)(C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC001116354558 937443013 /nfs/dbraw/zinc/44/30/13/937443013.db2.gz JYQIHDQSIBXCNH-UHFFFAOYSA-N 1 0 284.316 1.065 20 5 CDBDRO COCCOC[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819104136 930759325 /nfs/dbraw/zinc/75/93/25/930759325.db2.gz NOZXKXWKRIVBNW-FZMZJTMJSA-N 1 0 298.339 1.269 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCOC(F)(F)F)c1 ZINC000819259512 930784354 /nfs/dbraw/zinc/78/43/54/930784354.db2.gz WFLLYELNTPGPIJ-JTQLQIEISA-N 1 0 294.229 1.754 20 5 CDBDRO Cn1ccnc1[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886086712 930801178 /nfs/dbraw/zinc/80/11/78/930801178.db2.gz LXBMEDDHHRDMCI-LBPRGKRZSA-N 1 0 287.323 1.713 20 5 CDBDRO CC1(C)[C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C[C@@H]1O ZINC000886229343 930832531 /nfs/dbraw/zinc/83/25/31/930832531.db2.gz OFJDPNZIFQJXBN-ZJUUUORDSA-N 1 0 251.286 1.239 20 5 CDBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886277624 930847699 /nfs/dbraw/zinc/84/76/99/930847699.db2.gz WVYMVFYUKXENLI-YPMHNXCESA-N 1 0 279.340 1.973 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCN1CCNC1=O ZINC000886323213 930860785 /nfs/dbraw/zinc/86/07/85/930860785.db2.gz OVMNUFKUQBYAMT-UHFFFAOYSA-N 1 0 292.339 1.326 20 5 CDBDRO CC(C)[C@H]([NH3+])CCN(C)Cc1cccnc1[N+](=O)[O-] ZINC000886830354 930971965 /nfs/dbraw/zinc/97/19/65/930971965.db2.gz PSHBJOVCSFSQRB-GFCCVEGCSA-N 1 0 266.345 1.795 20 5 CDBDRO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[NH2+]C1 ZINC000887403639 931082879 /nfs/dbraw/zinc/08/28/79/931082879.db2.gz BVHDEABHINJXDQ-JTQLQIEISA-N 1 0 296.302 1.950 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc([C@H]2CCCC[NH2+]2)n1 ZINC000823088415 931252099 /nfs/dbraw/zinc/25/20/99/931252099.db2.gz JWZVFVOCNMLNJB-SSDOTTSWSA-N 1 0 278.272 1.193 20 5 CDBDRO CC(C)(CCC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)[N+](=O)[O-] ZINC000823185962 931266087 /nfs/dbraw/zinc/26/60/87/931266087.db2.gz SPICPWNCCGPATG-ZDUSSCGKSA-N 1 0 297.399 1.909 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000825275338 931500240 /nfs/dbraw/zinc/50/02/40/931500240.db2.gz HZIMBZKRBILEOZ-LLVKDONJSA-N 1 0 278.312 1.047 20 5 CDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001117779884 937552685 /nfs/dbraw/zinc/55/26/85/937552685.db2.gz BZILBXOVSSGRRY-RYUDHWBXSA-N 1 0 285.388 1.811 20 5 CDBDRO C[N@@H+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000846891605 932160572 /nfs/dbraw/zinc/16/05/72/932160572.db2.gz YNZZHTVUYLZLCT-AWEZNQCLSA-N 1 0 293.367 1.654 20 5 CDBDRO [NH3+]Cc1cn(-c2nc(Cl)nc(Cl)c2[N+](=O)[O-])cn1 ZINC001154906525 937602047 /nfs/dbraw/zinc/60/20/47/937602047.db2.gz JAHTULLYQKGVQE-UHFFFAOYSA-N 1 0 289.082 1.336 20 5 CDBDRO Cc1ccnc(NC[C@H]2C[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC001155101240 937635110 /nfs/dbraw/zinc/63/51/10/937635110.db2.gz RLXXTGNGIUAPMK-NXEZZACHSA-N 1 0 250.302 1.708 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(NC[C@]2(F)CCCC[NH2+]C2)n1 ZINC001155116418 937637213 /nfs/dbraw/zinc/63/72/13/937637213.db2.gz JBDAKZFSCOGKMS-LBPRGKRZSA-N 1 0 283.307 1.587 20 5 CDBDRO CC[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000035114964 933201699 /nfs/dbraw/zinc/20/16/99/933201699.db2.gz BUMZDYHGMFNPGI-SNVBAGLBSA-N 1 0 254.286 1.464 20 5 CDBDRO COc1ccccc1COC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000930165154 933330019 /nfs/dbraw/zinc/33/00/19/933330019.db2.gz GJYMVLVUGMFJKF-UHFFFAOYSA-N 1 0 294.351 1.953 20 5 CDBDRO O=[N+]([O-])CC[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000930511589 933390043 /nfs/dbraw/zinc/39/00/43/933390043.db2.gz KXHDVNQYMNDMEM-CYBMUJFWSA-N 1 0 261.325 1.400 20 5 CDBDRO CN(Cc1cc(F)ccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000036300946 933685841 /nfs/dbraw/zinc/68/58/41/933685841.db2.gz HDZDVMLWCCQPEE-UHFFFAOYSA-N 1 0 267.304 1.918 20 5 CDBDRO COC(=O)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000933171387 933792318 /nfs/dbraw/zinc/79/23/18/933792318.db2.gz SYEMDJRWPONNMU-GHMZBOCLSA-N 1 0 296.327 1.065 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCC([NH3+])CC2)c1 ZINC000088147340 934782574 /nfs/dbraw/zinc/78/25/74/934782574.db2.gz XKCJZAFJUKJWEL-UHFFFAOYSA-N 1 0 277.324 1.903 20 5 CDBDRO CC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC001120499777 937804346 /nfs/dbraw/zinc/80/43/46/937804346.db2.gz GNESOZVBSJGFQB-CHWSQXEVSA-N 1 0 282.340 1.767 20 5 CDBDRO COCCCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001124089028 936283078 /nfs/dbraw/zinc/28/30/78/936283078.db2.gz QQHVWCQGNHFWCT-UHFFFAOYSA-N 1 0 295.339 1.227 20 5 CDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001120826534 937839439 /nfs/dbraw/zinc/83/94/39/937839439.db2.gz ANMDZXXZNRMQFO-PWSUYJOCSA-N 1 0 291.355 1.493 20 5 CDBDRO C[C@@H](NC(=O)C12CC(C1)C[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC001122252296 937915789 /nfs/dbraw/zinc/91/57/89/937915789.db2.gz OOKMDHLSFOSAAL-NAUIOFCNSA-N 1 0 275.308 1.524 20 5 CDBDRO [NH3+]CCc1nccn1-c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001156484583 938374049 /nfs/dbraw/zinc/37/40/49/938374049.db2.gz QIKJHQHQPDYWSC-UHFFFAOYSA-N 1 0 272.268 1.158 20 5 CDBDRO COc1cc(C)nc(N[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001156580864 938388325 /nfs/dbraw/zinc/38/83/25/938388325.db2.gz XXQMLTRFESSTTA-VIFPVBQESA-N 1 0 266.301 1.423 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C)C2)n1 ZINC001156580928 938389117 /nfs/dbraw/zinc/38/91/17/938389117.db2.gz MNPAIUSEAFQASE-JTQLQIEISA-N 1 0 250.302 1.723 20 5 CDBDRO [NH3+]Cc1nn(-c2cccc([N+](=O)[O-])n2)c2ccccc12 ZINC001156855501 938426402 /nfs/dbraw/zinc/42/64/02/938426402.db2.gz BLDVKKORVUJTBG-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1N1CCCC[C@]12CCC[NH2+]C2 ZINC001157472705 938498578 /nfs/dbraw/zinc/49/85/78/938498578.db2.gz HDZAMSJPZWOKCV-CQSZACIVSA-N 1 0 291.355 1.685 20 5 CDBDRO Cc1ccccc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767793 938542777 /nfs/dbraw/zinc/54/27/77/938542777.db2.gz UWZZOGYOTUGGOY-ZIAGYGMSSA-N 1 0 291.351 1.256 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1N(CC[NH3+])c1cccnc1 ZINC001158001617 938574401 /nfs/dbraw/zinc/57/44/01/938574401.db2.gz LBXDLWDXBKNWBA-UHFFFAOYSA-N 1 0 274.284 1.064 20 5 CDBDRO [NH3+]CCc1cnn(-c2ncc([N+](=O)[O-])c3ccccc32)c1 ZINC001158098017 938582394 /nfs/dbraw/zinc/58/23/94/938582394.db2.gz DHRLKFHXEHMAKA-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO COc1cnc(N2CCC3(C[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC001159041742 938695289 /nfs/dbraw/zinc/69/52/89/938695289.db2.gz AONZAIVEDJSPLI-UHFFFAOYSA-N 1 0 278.312 1.188 20 5 CDBDRO C[NH+]1CC(CNc2cc([N+](=O)[O-])c3cc[nH]c3n2)C1 ZINC001159218842 938713021 /nfs/dbraw/zinc/71/30/21/938713021.db2.gz CIELRUHOBAPDKM-UHFFFAOYSA-N 1 0 261.285 1.445 20 5 CDBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001159677621 938744542 /nfs/dbraw/zinc/74/45/42/938744542.db2.gz LGDNPCVSSGTBHH-ZYHUDNBSSA-N 1 0 288.307 1.135 20 5 CDBDRO O=[N+]([O-])c1ccc2ccnc(N[C@H]3C[NH2+]C[C@H]3CO)c2c1 ZINC001159683314 938745233 /nfs/dbraw/zinc/74/52/33/938745233.db2.gz VBGVMBGNDWSLNE-GWCFXTLKSA-N 1 0 288.307 1.135 20 5 CDBDRO C[NH+](C)CCCCNc1cc([N+](=O)[O-])c2nncn2c1 ZINC001161730512 938927496 /nfs/dbraw/zinc/92/74/96/938927496.db2.gz GWPVSJJDMZRTJK-UHFFFAOYSA-N 1 0 278.316 1.391 20 5 CDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1c(Cl)nccc1[N+](=O)[O-] ZINC001162093872 938955659 /nfs/dbraw/zinc/95/56/59/938955659.db2.gz RDZNXLGXHFSCQJ-VIFPVBQESA-N 1 0 299.762 1.349 20 5 CDBDRO CCOC(=O)c1ccc(-n2cnc(C[NH3+])c2)c([N+](=O)[O-])c1 ZINC001162304405 938976601 /nfs/dbraw/zinc/97/66/01/938976601.db2.gz PZLTWNZGBAYBKK-UHFFFAOYSA-N 1 0 290.279 1.416 20 5 CDBDRO [NH3+]Cc1ccnn1-c1cnc(Cl)cc1[N+](=O)[O-] ZINC001162591159 939096128 /nfs/dbraw/zinc/09/61/28/939096128.db2.gz NTRAVOSEVQPCQJ-UHFFFAOYSA-N 1 0 253.649 1.288 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2nccc2C[NH3+])c1 ZINC001162598391 939099811 /nfs/dbraw/zinc/09/98/11/939099811.db2.gz XAADDVKRTLGLKY-UHFFFAOYSA-N 1 0 276.252 1.026 20 5 CDBDRO CCOC(=O)c1cc(N[C@@H]2CC[NH2+][C@@H]2C)ccc1[N+](=O)[O-] ZINC001162676790 939113196 /nfs/dbraw/zinc/11/31/96/939113196.db2.gz VLTUVGMQQMKBBQ-BXKDBHETSA-N 1 0 293.323 1.934 20 5 CDBDRO COc1cc(C)nc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)c1[N+](=O)[O-] ZINC001162794793 939142330 /nfs/dbraw/zinc/14/23/30/939142330.db2.gz RSOGMTWQHDLJNS-OUAUKWLOSA-N 1 0 290.323 1.493 20 5 CDBDRO COc1cc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)cc([N+](=O)[O-])c1C ZINC001163146788 939212654 /nfs/dbraw/zinc/21/26/54/939212654.db2.gz ZTVROEFIPRDXFW-IJLUTSLNSA-N 1 0 293.323 1.311 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)nc1 ZINC001163206053 939225362 /nfs/dbraw/zinc/22/53/62/939225362.db2.gz FMSKZUXXVBIOCU-OLZOCXBDSA-N 1 0 285.307 1.900 20 5 CDBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cc([N+](=O)[O-])ccc2Cl)N1 ZINC001163250954 939232280 /nfs/dbraw/zinc/23/22/80/939232280.db2.gz PSGPONRLVJZCLN-ZYHUDNBSSA-N 1 0 296.714 1.238 20 5 CDBDRO Nc1nc(NC[C@@H]2Cc3ccccc3C[NH2+]2)ccc1[N+](=O)[O-] ZINC001163274200 939237359 /nfs/dbraw/zinc/23/73/59/939237359.db2.gz FKIZHVLOOWBZMJ-LBPRGKRZSA-N 1 0 299.334 1.698 20 5 CDBDRO CCOc1nc(NCC2([NH3+])CCC2)ccc1[N+](=O)[O-] ZINC001163326530 939248267 /nfs/dbraw/zinc/24/82/67/939248267.db2.gz FJNUDTHPHJEYOO-UHFFFAOYSA-N 1 0 266.301 1.682 20 5 CDBDRO C[NH2+]CCN(C)c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001163719356 939314758 /nfs/dbraw/zinc/31/47/58/939314758.db2.gz ZWFZZGXNIPKFJV-UHFFFAOYSA-N 1 0 260.297 1.799 20 5 CDBDRO Cc1nc(Cl)nc(N2C[C@H](C)CC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC001164062651 939403127 /nfs/dbraw/zinc/40/31/27/939403127.db2.gz MRXKJSCHHWEBFO-APPZFPTMSA-N 1 0 299.762 1.910 20 5 CDBDRO C[C@H]1CC[C@H](C[NH3+])N(c2cc([N+](=O)[O-])ccn2)C1 ZINC001164063103 939403210 /nfs/dbraw/zinc/40/32/10/939403210.db2.gz QOGZWCNAKWKHAE-GXSJLCMTSA-N 1 0 250.302 1.553 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H](C)CC[C@H]2C[NH3+])n1 ZINC001164066876 939404071 /nfs/dbraw/zinc/40/40/71/939404071.db2.gz ARVAXHZXAOXUKT-SCZZXKLOSA-N 1 0 295.343 1.265 20 5 CDBDRO C[C@]1(C[NH3+])CCCN(c2ccc([N+](=O)[O-])c(N)n2)CC1 ZINC001164247256 939441019 /nfs/dbraw/zinc/44/10/19/939441019.db2.gz HUIAMHBLUZRJJO-ZDUSSCGKSA-N 1 0 279.344 1.527 20 5 CDBDRO O=[N+]([O-])c1ccc2ccnc(-n3ncc4c3CC[NH2+]C4)c2c1 ZINC001165220708 939527175 /nfs/dbraw/zinc/52/71/75/939527175.db2.gz YNEDGKIZCIYHAH-UHFFFAOYSA-N 1 0 295.302 1.974 20 5 CDBDRO [NH3+][C@]12C[C@H]1CN(c1ncnc3cccc([N+](=O)[O-])c31)C2 ZINC001165315083 939544585 /nfs/dbraw/zinc/54/45/85/939544585.db2.gz DWMJXGMLICVPLW-SDBXPKJASA-N 1 0 271.280 1.075 20 5 CDBDRO COc1cc(C)nc(N(C)C[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC001166956072 939659240 /nfs/dbraw/zinc/65/92/40/939659240.db2.gz ULGBFVOIBWMSEP-SNVBAGLBSA-N 1 0 280.328 1.353 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCc1cccc2nonc21 ZINC001210121669 940664554 /nfs/dbraw/zinc/66/45/54/940664554.db2.gz HLVODZVSWQBNGC-SNVBAGLBSA-N 1 0 250.322 1.834 20 5 CDBDRO C[N@@H+]1CC[C@@H](OCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001223485501 941681340 /nfs/dbraw/zinc/68/13/40/941681340.db2.gz FUQOAWMWOGGVRK-GFCCVEGCSA-N 1 0 281.268 1.724 20 5 CDBDRO COC(=O)c1ccc(CO[C@@H](C)C[N+](C)(C)C)cn1 ZINC001223533087 941684572 /nfs/dbraw/zinc/68/45/72/941684572.db2.gz LYOXBGIXXSWNJJ-NSHDSACASA-N 1 0 267.349 1.480 20 5 CDBDRO CC[NH+]1CCC(Oc2cccnc2[N+](=O)[O-])CC1 ZINC001225628503 941890676 /nfs/dbraw/zinc/89/06/76/941890676.db2.gz NVYRCPNNHLLAIY-UHFFFAOYSA-N 1 0 251.286 1.853 20 5 CDBDRO Cc1cc(O[C@@H]2CCc3nccn3C2)ncc1[N+](=O)[O-] ZINC001225658676 941895348 /nfs/dbraw/zinc/89/53/48/941895348.db2.gz JMQDCSANYWJAHZ-SNVBAGLBSA-N 1 0 274.280 1.889 20 5 CDBDRO CCOC(=O)c1c[nH]c(=O)cc1O[C@H](C)C[N+](C)(C)C ZINC001225822485 941916982 /nfs/dbraw/zinc/91/69/82/941916982.db2.gz PGRIDOPUPIIDNU-SNVBAGLBSA-O 1 0 283.348 1.437 20 5 CDBDRO C[C@H](C[NH+](C)C)Oc1c([N+](=O)[O-])cc(F)cc1[N+](=O)[O-] ZINC001225889652 941925762 /nfs/dbraw/zinc/92/57/62/941925762.db2.gz RMABIMDIEKHKRZ-SSDOTTSWSA-N 1 0 287.247 1.971 20 5 CDBDRO COC(=O)Cc1ccc(O[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001226214450 941968298 /nfs/dbraw/zinc/96/82/98/941968298.db2.gz MONABQWTQNRXNG-JTQLQIEISA-N 1 0 296.323 1.639 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2c(c1)CCCC2 ZINC001226760744 942064708 /nfs/dbraw/zinc/06/47/08/942064708.db2.gz NITWNEQSNLKXET-OAHLLOKOSA-N 1 0 292.399 1.928 20 5 CDBDRO C[N@@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])c3nc[nH]c32)CC1 ZINC001227692771 942205723 /nfs/dbraw/zinc/20/57/23/942205723.db2.gz CNSJMLJBGLEDSX-VIFPVBQESA-N 1 0 291.311 1.729 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cnccc2[N+](=O)[O-])C1 ZINC001228879952 942387573 /nfs/dbraw/zinc/38/75/73/942387573.db2.gz MWJLWKTUCFSWIF-SNVBAGLBSA-N 1 0 251.286 1.851 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(C2CC2)cn1 ZINC001228999598 942405596 /nfs/dbraw/zinc/40/55/96/942405596.db2.gz CQKXTRHUDYJADK-CYBMUJFWSA-N 1 0 279.360 1.322 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H](C)C[NH+](C)C ZINC001229056541 942412506 /nfs/dbraw/zinc/41/25/06/942412506.db2.gz PLRFQEFLPMCRLJ-VIFPVBQESA-N 1 0 282.296 1.710 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1n[nH]c2ccc(F)cc21 ZINC001229907381 942551666 /nfs/dbraw/zinc/55/16/66/942551666.db2.gz CAPPDGPCRBERMD-SNVBAGLBSA-N 1 0 296.322 1.065 20 5 CDBDRO Cc1cc(NC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)cc([N+](=O)[O-])c1 ZINC001263330037 943833267 /nfs/dbraw/zinc/83/32/67/943833267.db2.gz ZIYMEIQVDKYUNV-KPXOXKRLSA-N 1 0 261.281 1.450 20 5 CDBDRO Cc1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001261183642 945990797 /nfs/dbraw/zinc/99/07/97/945990797.db2.gz VYYVUDNCIRKMKY-UHFFFAOYSA-N 1 0 275.312 1.592 20 5 CDBDRO O=C(N1Cc2ccc([N+](=O)[O-])cc2C1)[C@]1(F)CC[NH2+]C1 ZINC001261458491 946126918 /nfs/dbraw/zinc/12/69/18/946126918.db2.gz ADCVQWPXIRANHB-ZDUSSCGKSA-N 1 0 279.271 1.139 20 5 CDBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1(CO)CC1 ZINC001262577670 946730113 /nfs/dbraw/zinc/73/01/13/946730113.db2.gz VKLQCHQHLGWPRZ-GXFFZTMASA-N 1 0 280.324 1.379 20 5 CDBDRO NC(=O)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254469172 947451489 /nfs/dbraw/zinc/45/14/89/947451489.db2.gz XIQKIOGMDAPMPJ-UHFFFAOYSA-N 1 0 292.339 1.029 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCO1 ZINC001254536787 947515900 /nfs/dbraw/zinc/51/59/00/947515900.db2.gz SYPQFGMBVGLTPS-ZYHUDNBSSA-N 1 0 250.298 1.904 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1[C@@H]2COC[C@@H]21 ZINC001254540151 947517383 /nfs/dbraw/zinc/51/73/83/947517383.db2.gz PEPFTANOWSCRSQ-WUWHUORYSA-N 1 0 262.309 1.760 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)C2 ZINC001254576536 947535558 /nfs/dbraw/zinc/53/55/58/947535558.db2.gz WZTJOJZZAZRDLP-BIMULSAOSA-N 1 0 262.309 1.423 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H](CO)c1ccccn1)C2 ZINC001254580932 947538030 /nfs/dbraw/zinc/53/80/30/947538030.db2.gz IEXMHLCYFXRDOM-CJNGLKHVSA-N 1 0 299.330 1.780 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cnoc1)C2 ZINC001254585839 947540526 /nfs/dbraw/zinc/54/05/26/947540526.db2.gz XQIXOBKKQUKZJQ-LBPRGKRZSA-N 1 0 259.265 1.840 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC(CO)CC1)C2 ZINC001254592150 947543028 /nfs/dbraw/zinc/54/30/28/947543028.db2.gz BQVMGCGNHOVCSW-HNNXBMFYSA-N 1 0 276.336 1.766 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1C[NH2+]CC12CC2 ZINC001246132135 947978305 /nfs/dbraw/zinc/97/83/05/947978305.db2.gz LCTKVBPICAKUIG-FZMZJTMJSA-N 1 0 275.352 1.867 20 5 CDBDRO COc1ccc(C[C@H](C)N[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246359734 948130128 /nfs/dbraw/zinc/13/01/28/948130128.db2.gz VVQFIRUSHNOWQL-WCQYABFASA-N 1 0 293.367 1.876 20 5 CDBDRO COc1ccc(C[C@H](C)N2CC[C@](C)([NH3+])C2)c([N+](=O)[O-])c1 ZINC001246532170 948233850 /nfs/dbraw/zinc/23/38/50/948233850.db2.gz UWXVULKMBCTXOU-NHYWBVRUSA-N 1 0 293.367 1.958 20 5 CDBDRO [NH3+][C@H]1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC(F)(F)C1 ZINC001246573691 948295687 /nfs/dbraw/zinc/29/56/87/948295687.db2.gz LQQMGVCOQIHEQY-DGCLKSJQSA-N 1 0 297.305 1.730 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246864138 948489125 /nfs/dbraw/zinc/48/91/25/948489125.db2.gz SZSLMPXLOQXPDJ-OSAQELSMSA-N 1 0 275.352 1.949 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C[C@H]2CC[NH2+]C2)n1 ZINC001248321764 949018003 /nfs/dbraw/zinc/01/80/03/949018003.db2.gz ZJHYIPBTKPMLCS-SSDOTTSWSA-N 1 0 293.258 1.331 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001326274962 954297443 /nfs/dbraw/zinc/29/74/43/954297443.db2.gz FLLBVGPLTNCRSF-NSHDSACASA-N 1 0 295.339 1.478 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001326396159 954358137 /nfs/dbraw/zinc/35/81/37/954358137.db2.gz DPZMQYRQONCSEJ-UWVGGRQHSA-N 1 0 292.339 1.636 20 5 CDBDRO CC[C@]1(c2nc(-c3c([N+](=O)[O-])ncn3C)no2)CC[NH2+]C1 ZINC001326512984 954416520 /nfs/dbraw/zinc/41/65/20/954416520.db2.gz MOWCDGBLMFGPLO-LBPRGKRZSA-N 1 0 292.299 1.019 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001327087896 954697445 /nfs/dbraw/zinc/69/74/45/954697445.db2.gz SORTUIHEQFJBFE-MRVPVSSYSA-N 1 0 295.295 1.051 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC001307780100 956439630 /nfs/dbraw/zinc/43/96/30/956439630.db2.gz DNWFKRJTLQZSGM-ZYHUDNBSSA-N 1 0 268.317 1.148 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CCO)COC ZINC001308278690 956507547 /nfs/dbraw/zinc/50/75/47/956507547.db2.gz HKJRVWFWWXCRBH-LBPRGKRZSA-N 1 0 298.339 1.481 20 5 CDBDRO Cc1nn(C[N@H+](C)CCCF)c2ncc([N+](=O)[O-])cc12 ZINC001331061260 956795668 /nfs/dbraw/zinc/79/56/68/956795668.db2.gz HXRUHZXXWSCJFO-UHFFFAOYSA-N 1 0 281.291 1.897 20 5 CDBDRO CCN(C(=O)Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[NH2+]C1 ZINC001333273169 958204332 /nfs/dbraw/zinc/20/43/32/958204332.db2.gz OEPUNAPREYCQRT-CYBMUJFWSA-N 1 0 291.351 1.656 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](CNc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001336490824 960365163 /nfs/dbraw/zinc/36/51/63/960365163.db2.gz IJBQGROLPAKHBE-SNVBAGLBSA-N 1 0 279.344 1.714 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[NH3+] ZINC001340281705 962857017 /nfs/dbraw/zinc/85/70/17/962857017.db2.gz HWNHIIMGZUUFNP-SSDOTTSWSA-N 1 0 269.326 1.394 20 5 CDBDRO C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001341740124 963525349 /nfs/dbraw/zinc/52/53/49/963525349.db2.gz KQJVBJLJWLSGKA-JQWIXIFHSA-N 1 0 277.324 1.914 20 5 CDBDRO CC(C)(C(=O)N[C@H]1C[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC001342170862 963661175 /nfs/dbraw/zinc/66/11/75/963661175.db2.gz PTRYZZVRFLOQFV-XYPYZODXSA-N 1 0 277.324 1.478 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001342942316 963867322 /nfs/dbraw/zinc/86/73/22/963867322.db2.gz CTFPMSLPUVVEOC-ZYHUDNBSSA-N 1 0 279.340 1.813 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001345141456 964594897 /nfs/dbraw/zinc/59/48/97/964594897.db2.gz MLWIHOWYSPPPQR-MNOVXSKESA-N 1 0 294.355 1.953 20 5 CDBDRO C[NH+](C)C1(CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001350123965 966586178 /nfs/dbraw/zinc/58/61/78/966586178.db2.gz FZMHVOZSJUNPLA-UHFFFAOYSA-N 1 0 296.302 1.950 20 5 CDBDRO Cc1nc(N2CC[C@@H]([NH+](C)C)[C@H]2C)ncc1[N+](=O)[O-] ZINC001350488915 966679831 /nfs/dbraw/zinc/67/98/31/966679831.db2.gz ZONMEDQNQLTQHR-NXEZZACHSA-N 1 0 265.317 1.222 20 5 CDBDRO C[C@H](O)C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000847092356 967025756 /nfs/dbraw/zinc/02/57/56/967025756.db2.gz DPIBLAOQGUVLHU-IINYFYTJSA-N 1 0 280.324 1.473 20 5 CDBDRO COc1ccc(Cl)cc1CC[NH2+]CC[N+](=O)[O-] ZINC001352805016 967493808 /nfs/dbraw/zinc/49/38/08/967493808.db2.gz YHRQOUUSQHYXPR-UHFFFAOYSA-N 1 0 258.705 1.757 20 5 CDBDRO CC[NH+]1CCN(C2CN(c3sccc3[N+](=O)[O-])C2)CC1 ZINC001354278638 968593960 /nfs/dbraw/zinc/59/39/60/968593960.db2.gz RNWKHNNANSEHJU-UHFFFAOYSA-N 1 0 296.396 1.482 20 5 CDBDRO C[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001354831087 968924669 /nfs/dbraw/zinc/92/46/69/968924669.db2.gz WCUQBBDSERCIIK-BDAKNGLRSA-N 1 0 251.286 1.380 20 5 CDBDRO CC[NH+](CC)CCCOC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000848791333 969295693 /nfs/dbraw/zinc/29/56/93/969295693.db2.gz YCYGQNOVEGVSHJ-UHFFFAOYSA-N 1 0 296.327 1.461 20 5 CDBDRO [NH2+]=C(NCCNc1ccccc1[N+](=O)[O-])N1CCC1 ZINC000848982774 969377369 /nfs/dbraw/zinc/37/73/69/969377369.db2.gz PRZXXVQRXGUSGE-UHFFFAOYSA-N 1 0 263.301 1.237 20 5 CDBDRO Cc1c(C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])cccc1[N+](=O)[O-] ZINC001514529872 976295801 /nfs/dbraw/zinc/29/58/01/976295801.db2.gz KOLKGOFECMOZGA-IAQYHMDHSA-N 1 0 289.335 1.857 20 5 CDBDRO CC1(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001132451896 1163308387 /nfs/dbraw/zinc/30/83/87/1163308387.db2.gz QLGPZHAZKZQVHO-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO CCC[N@H+]1C[C@H]2CN(c3nc(C)ncc3[N+](=O)[O-])C[C@H]2C1 ZINC001157692596 1162289677 /nfs/dbraw/zinc/28/96/77/1162289677.db2.gz XDBRJCJLHRDTBI-TXEJJXNPSA-N 1 0 291.355 1.471 20 5 CDBDRO CC[C@@H](NC(=O)[C@@H](F)C1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC001578223751 1171837039 /nfs/dbraw/zinc/83/70/39/1171837039.db2.gz GYENCLGTCHYSNU-OLZOCXBDSA-N 1 0 295.314 1.720 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000275832446 341978513 /nfs/dbraw/zinc/97/85/13/341978513.db2.gz YEWNNWOTMHWPTN-DTWKUNHWSA-N 1 0 269.326 1.656 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000587973713 342487562 /nfs/dbraw/zinc/48/75/62/342487562.db2.gz WXLSANNRWJBTQA-JTQLQIEISA-N 1 0 292.339 1.447 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCCN1c1c([N+](=O)[O-])ncn1C ZINC000601192634 342488500 /nfs/dbraw/zinc/48/85/00/342488500.db2.gz XXHRBYJXPJMGQD-SNVBAGLBSA-N 1 0 267.333 1.249 20 5 CDBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000600177734 341983351 /nfs/dbraw/zinc/98/33/51/341983351.db2.gz COQZBWISMPDLFV-VOKGJARPSA-N 1 0 292.335 1.691 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000590141900 342522654 /nfs/dbraw/zinc/52/26/54/342522654.db2.gz HDHCBVQCLGGZBP-ZDUSSCGKSA-N 1 0 279.344 1.250 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000601330783 342554755 /nfs/dbraw/zinc/55/47/55/342554755.db2.gz XITZBPLLGLXYST-PSASIEDQSA-N 1 0 253.277 1.655 20 5 CDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000590566943 342575994 /nfs/dbraw/zinc/57/59/94/342575994.db2.gz TWBOOLUTLIVEJU-FZMZJTMJSA-N 1 0 291.351 1.688 20 5 CDBDRO CNc1ccc(C(=O)N[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000124003369 342065927 /nfs/dbraw/zinc/06/59/27/342065927.db2.gz VLGSVOFFOXAGQL-VIFPVBQESA-N 1 0 280.328 1.316 20 5 CDBDRO C[C@H](CC(N)=O)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565491005 365661493 /nfs/dbraw/zinc/66/14/93/365661493.db2.gz JSZXFFRWEITTTA-KCJUWKMLSA-N 1 0 263.297 1.436 20 5 CDBDRO CN(CCC[NH3+])C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000591679302 342641660 /nfs/dbraw/zinc/64/16/60/342641660.db2.gz QCKBWLQPJREJDV-UHFFFAOYSA-N 1 0 279.340 1.680 20 5 CDBDRO CC1(C)C[C@@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591736689 342645040 /nfs/dbraw/zinc/64/50/40/342645040.db2.gz FRNSDXZMSZKFJP-YPMHNXCESA-N 1 0 294.351 1.970 20 5 CDBDRO COc1cccc(C(=O)N[C@@H]2CCC[NH2+]CC2)c1[N+](=O)[O-] ZINC000592330544 342685285 /nfs/dbraw/zinc/68/52/85/342685285.db2.gz RHLIHYRKTNHJHH-SNVBAGLBSA-N 1 0 293.323 1.475 20 5 CDBDRO Cc1cc(C(=O)N2CCC(C)([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000592331141 342685309 /nfs/dbraw/zinc/68/53/09/342685309.db2.gz JQSGADLKBKQWGS-UHFFFAOYSA-N 1 0 277.324 1.857 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CCC[NH3+])c1 ZINC000592337928 342685716 /nfs/dbraw/zinc/68/57/16/342685716.db2.gz WXKWKADDAZSNOB-VIFPVBQESA-N 1 0 281.312 1.461 20 5 CDBDRO O=[N+]([O-])c1ccc(OCc2nc([C@H]3CCC[NH2+]3)no2)cc1 ZINC000592357171 342688365 /nfs/dbraw/zinc/68/83/65/342688365.db2.gz SGEWXTBFKIHWQS-LLVKDONJSA-N 1 0 290.279 1.981 20 5 CDBDRO O=[N+]([O-])c1ccc(OCc2nc([C@@H]3CCC[NH2+]3)no2)cc1 ZINC000592357172 342688432 /nfs/dbraw/zinc/68/84/32/342688432.db2.gz SGEWXTBFKIHWQS-NSHDSACASA-N 1 0 290.279 1.981 20 5 CDBDRO COc1ccc(CN2CCC(C)([NH3+])CC2)cc1[N+](=O)[O-] ZINC000592431557 342691651 /nfs/dbraw/zinc/69/16/51/342691651.db2.gz HQDJMMFLYFOSBZ-UHFFFAOYSA-N 1 0 279.340 1.917 20 5 CDBDRO C[C@@H](CCO)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593108801 342769267 /nfs/dbraw/zinc/76/92/67/342769267.db2.gz CMQOSDPQERMYDK-AAEUAGOBSA-N 1 0 298.339 1.037 20 5 CDBDRO [NH3+]C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000313340690 342188700 /nfs/dbraw/zinc/18/87/00/342188700.db2.gz FBBJFLFSGUDBBV-LBPRGKRZSA-N 1 0 294.311 1.176 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000382458921 361944476 /nfs/dbraw/zinc/94/44/76/361944476.db2.gz SULRIGABVJJOJQ-ZJUUUORDSA-N 1 0 299.352 1.001 20 5 CDBDRO CO[C@@H](C[NH3+])C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000290011640 361970496 /nfs/dbraw/zinc/97/04/96/361970496.db2.gz QGNLKLCDRSENPJ-SKDRFNHKSA-N 1 0 281.312 1.054 20 5 CDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccccc1[N+](=O)[O-] ZINC000131117245 342226487 /nfs/dbraw/zinc/22/64/87/342226487.db2.gz JMVQDZQDLRUFCE-ZDUSSCGKSA-N 1 0 265.313 1.698 20 5 CDBDRO O=C(CC[NH2+]C1CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000594433560 342898568 /nfs/dbraw/zinc/89/85/68/342898568.db2.gz HEFMUDXHYGBRAD-UHFFFAOYSA-N 1 0 289.335 1.622 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](CC)[C@@H](C)C1 ZINC000588822473 342222329 /nfs/dbraw/zinc/22/23/29/342222329.db2.gz GRIGWQJJFFHPFR-JTQLQIEISA-N 1 0 281.360 1.650 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCn1cncn1 ZINC000594513460 342912833 /nfs/dbraw/zinc/91/28/33/342912833.db2.gz NYLQMROZHSMOOY-ZDUSSCGKSA-N 1 0 287.323 1.854 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594601292 342923857 /nfs/dbraw/zinc/92/38/57/342923857.db2.gz NICQIZYANLEYHZ-WDEREUQCSA-N 1 0 279.344 1.757 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000042564795 342269653 /nfs/dbraw/zinc/26/96/53/342269653.db2.gz UBIXCXAKQUYFTL-UHFFFAOYSA-N 1 0 271.342 1.728 20 5 CDBDRO CC[C@@](C)([NH3+])c1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594649886 342932236 /nfs/dbraw/zinc/93/22/36/342932236.db2.gz PWMDJHQDXBUNCC-LLVKDONJSA-N 1 0 262.273 1.154 20 5 CDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000209376523 342271429 /nfs/dbraw/zinc/27/14/29/342271429.db2.gz UNMDHZFTJFNOAT-CIYRCRHJSA-N 1 0 287.319 1.428 20 5 CDBDRO CCC[C@H]([NH3+])c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594653708 342934549 /nfs/dbraw/zinc/93/45/49/342934549.db2.gz YBOVZIYKJCUNSK-VIFPVBQESA-N 1 0 277.284 1.681 20 5 CDBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)CC(C)(C)[NH3+] ZINC000594734760 342949892 /nfs/dbraw/zinc/94/98/92/342949892.db2.gz DQUONGHCGSLQRH-UHFFFAOYSA-N 1 0 255.293 1.903 20 5 CDBDRO COc1cc(C[NH2+][C@H]2C[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000595001400 342995189 /nfs/dbraw/zinc/99/51/89/342995189.db2.gz VTDGYJOUQHBIGP-MGCOHNPYSA-N 1 0 282.296 1.225 20 5 CDBDRO [NH3+]C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000595233302 343016526 /nfs/dbraw/zinc/01/65/26/343016526.db2.gz LMFSLIPTJHHWCF-UHFFFAOYSA-N 1 0 278.312 1.988 20 5 CDBDRO Cc1cnc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000075061424 342307534 /nfs/dbraw/zinc/30/75/34/342307534.db2.gz VTYDODXOXKOZPZ-NEPJUHHUSA-N 1 0 276.340 1.971 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000595275646 343021806 /nfs/dbraw/zinc/02/18/06/343021806.db2.gz QBJHYEJKRGATOD-LLVKDONJSA-N 1 0 294.355 1.387 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000230686373 349785205 /nfs/dbraw/zinc/78/52/05/349785205.db2.gz FZCMTEKJLSNUEP-SECBINFHSA-N 1 0 295.343 1.032 20 5 CDBDRO C[C@H](O)C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000595458646 343069326 /nfs/dbraw/zinc/06/93/26/343069326.db2.gz LHVJTXXZOGFQTQ-UWVGGRQHSA-N 1 0 286.303 1.298 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000595920879 343192184 /nfs/dbraw/zinc/19/21/84/343192184.db2.gz YTCHLACKEGVWSC-LLVKDONJSA-N 1 0 281.312 1.218 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000595923112 343192481 /nfs/dbraw/zinc/19/24/81/343192481.db2.gz PIXVGRLUHQQKDH-QWHCGFSZSA-N 1 0 293.323 1.217 20 5 CDBDRO CCN(CCC[NH+](C)C)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596206263 343265554 /nfs/dbraw/zinc/26/55/54/343265554.db2.gz REKMCKFXASRXLX-UHFFFAOYSA-N 1 0 268.317 1.473 20 5 CDBDRO O=c1[nH]ccc(NCC23CCC[NH+]2CCC3)c1[N+](=O)[O-] ZINC000596215326 343268545 /nfs/dbraw/zinc/26/85/45/343268545.db2.gz AERZPMQATYICCE-UHFFFAOYSA-N 1 0 278.312 1.736 20 5 CDBDRO Nc1ccc(NC2CC[NH+](C3CCC3)CC2)nc1[N+](=O)[O-] ZINC000596258297 343277299 /nfs/dbraw/zinc/27/72/99/343277299.db2.gz JCTGELQYRVBMHD-UHFFFAOYSA-N 1 0 291.355 1.423 20 5 CDBDRO CCOc1cc(N2CCC([NH3+])(CO)CC2)ccc1[N+](=O)[O-] ZINC000092654469 342416186 /nfs/dbraw/zinc/41/61/86/342416186.db2.gz OXWOPGJKTPUMEE-UHFFFAOYSA-N 1 0 295.339 1.284 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000209382781 342438655 /nfs/dbraw/zinc/43/86/55/342438655.db2.gz SRFLEKYUGUEXEP-YPMHNXCESA-N 1 0 275.308 1.337 20 5 CDBDRO Cn1c(C(=O)NCC23CCC[NH+]2CCC3)ccc1[N+](=O)[O-] ZINC000597586842 343571544 /nfs/dbraw/zinc/57/15/44/343571544.db2.gz JMFDOSBLMXUVOY-UHFFFAOYSA-N 1 0 292.339 1.292 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC(C[NH+](C)C)C1 ZINC000597707740 343605782 /nfs/dbraw/zinc/60/57/82/343605782.db2.gz FLXQHRVCKIIFHP-UHFFFAOYSA-N 1 0 293.323 1.237 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC(C[NH+](C)C)C2)c1 ZINC000597707250 343605794 /nfs/dbraw/zinc/60/57/94/343605794.db2.gz BGDFJHSXBCRAKZ-UHFFFAOYSA-N 1 0 277.324 1.537 20 5 CDBDRO NC(=O)C[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000598618330 343844157 /nfs/dbraw/zinc/84/41/57/343844157.db2.gz WDVHRXPCYNBESV-VIFPVBQESA-N 1 0 281.287 1.431 20 5 CDBDRO O=C(NCCC[NH2+]C1CC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915938 343920155 /nfs/dbraw/zinc/92/01/55/343920155.db2.gz QXIKCZCPRKHKTL-UHFFFAOYSA-N 1 0 296.302 1.998 20 5 CDBDRO C[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H](C)[NH2+]1 ZINC000599103691 343955049 /nfs/dbraw/zinc/95/50/49/343955049.db2.gz JGEYMLWEVRWJCA-AOOOYVTPSA-N 1 0 287.323 1.725 20 5 CDBDRO O=C1[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@@H]2CCCCN12 ZINC000453625664 252329844 /nfs/dbraw/zinc/32/98/44/252329844.db2.gz LCLNUXFTWQBWLG-JSGCOSHPSA-N 1 0 289.335 1.838 20 5 CDBDRO CN(C(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000602428773 344422259 /nfs/dbraw/zinc/42/22/59/344422259.db2.gz JPHHPAQPFYPANT-MRVPVSSYSA-N 1 0 267.260 1.168 20 5 CDBDRO C[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000602431344 344423609 /nfs/dbraw/zinc/42/36/09/344423609.db2.gz AYBGEFTZZUIVDF-IUCAKERBSA-N 1 0 281.287 1.556 20 5 CDBDRO C[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000602431345 344423730 /nfs/dbraw/zinc/42/37/30/344423730.db2.gz AYBGEFTZZUIVDF-RKDXNWHRSA-N 1 0 281.287 1.556 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602481436 344447243 /nfs/dbraw/zinc/44/72/43/344447243.db2.gz KESGYZFTKQKJKC-DTWKUNHWSA-N 1 0 281.287 1.543 20 5 CDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1c(F)cccc1[N+](=O)[O-])C2 ZINC000602530146 344455474 /nfs/dbraw/zinc/45/54/74/344455474.db2.gz PAOBWWIIQJGQPT-YMTOWFKASA-N 1 0 293.298 1.687 20 5 CDBDRO C[C@H](CCO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602558260 344467819 /nfs/dbraw/zinc/46/78/19/344467819.db2.gz UCQZRYLVOLGNBU-LLVKDONJSA-N 1 0 294.355 1.319 20 5 CDBDRO CO[C@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000602579317 344474689 /nfs/dbraw/zinc/47/46/89/344474689.db2.gz GKCIVWNDDOXTLY-DZGCQCFKSA-N 1 0 294.351 1.778 20 5 CDBDRO CC[C@@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000602864182 344637761 /nfs/dbraw/zinc/63/77/61/344637761.db2.gz NDWRGFXUYIFNEL-QWHCGFSZSA-N 1 0 296.371 1.989 20 5 CDBDRO C[NH+](C)CCc1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000603224346 344738200 /nfs/dbraw/zinc/73/82/00/344738200.db2.gz PRSGAKZGXFRQRL-UHFFFAOYSA-N 1 0 293.302 1.478 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)c1 ZINC000602997556 344683937 /nfs/dbraw/zinc/68/39/37/344683937.db2.gz MONMQLOKTNVKBP-IHRRRGAJSA-N 1 0 294.355 1.417 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)n1 ZINC000602998179 344684194 /nfs/dbraw/zinc/68/41/94/344684194.db2.gz YRWUDUPPCVNPRA-AGIUHOORSA-N 1 0 294.355 1.417 20 5 CDBDRO CC[NH+](CC)CCn1cc([N+](=O)[O-])cc(OC)c1=O ZINC000603360415 344783688 /nfs/dbraw/zinc/78/36/88/344783688.db2.gz ZMCYIBBZVSZLGX-UHFFFAOYSA-N 1 0 269.301 1.107 20 5 CDBDRO Cc1c(CN2CCO[C@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000128625554 344788592 /nfs/dbraw/zinc/78/85/92/344788592.db2.gz DDGSAYPFRGSENG-RISCZKNCSA-N 1 0 279.340 1.451 20 5 CDBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000603840365 344837341 /nfs/dbraw/zinc/83/73/41/344837341.db2.gz KEUKHWMSAGVKIE-LBPRGKRZSA-N 1 0 294.355 1.759 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](O)CC2)c1 ZINC000293133881 362531993 /nfs/dbraw/zinc/53/19/93/362531993.db2.gz NBJRBJOZYNHTNN-KGLIPLIRSA-N 1 0 280.324 1.475 20 5 CDBDRO NC(=O)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051200218 345092647 /nfs/dbraw/zinc/09/26/47/345092647.db2.gz DPJMATNMHUSXKC-UHFFFAOYSA-N 1 0 293.323 1.171 20 5 CDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])nc2)C1 ZINC000617454913 345544922 /nfs/dbraw/zinc/54/49/22/345544922.db2.gz NFBOEUOKSRIADV-WCQYABFASA-N 1 0 276.340 1.910 20 5 CDBDRO CN(CCOCCO)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000265802361 362614412 /nfs/dbraw/zinc/61/44/12/362614412.db2.gz KGHIRNAQYCLUNH-UHFFFAOYSA-N 1 0 288.731 1.689 20 5 CDBDRO C[C@@H](CNc1ccsc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000609561004 345808429 /nfs/dbraw/zinc/80/84/29/345808429.db2.gz SWJQXKVKBQJYJO-JTQLQIEISA-N 1 0 284.385 1.704 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+](CCCO)C1CC1 ZINC000609848157 346006349 /nfs/dbraw/zinc/00/63/49/346006349.db2.gz CZNCVUHSIYJNCO-UHFFFAOYSA-N 1 0 280.324 1.820 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCc1ccccn1 ZINC000610659985 346335203 /nfs/dbraw/zinc/33/52/03/346335203.db2.gz JPDGAAWJYKGBQE-UHFFFAOYSA-N 1 0 289.339 1.669 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1cccnc1 ZINC000610782867 346409550 /nfs/dbraw/zinc/40/95/50/346409550.db2.gz GZLIJMMIOGYEPF-UHFFFAOYSA-N 1 0 275.312 1.627 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])nc3)CC[C@@H]21 ZINC000610808011 346443927 /nfs/dbraw/zinc/44/39/27/346443927.db2.gz OLGILFAOPVFTHQ-YPMHNXCESA-N 1 0 276.340 1.910 20 5 CDBDRO Cc1cnc(OCC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000122484778 347649121 /nfs/dbraw/zinc/64/91/21/347649121.db2.gz SSFKKTAEVPINAJ-SNVBAGLBSA-N 1 0 251.286 1.677 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C[NH2+]1 ZINC000086468165 179298951 /nfs/dbraw/zinc/29/89/51/179298951.db2.gz MIMCCLWJKDYJST-RKDXNWHRSA-N 1 0 281.287 1.556 20 5 CDBDRO C[C@]1(CNC(=O)Cc2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000128925181 187398588 /nfs/dbraw/zinc/39/85/88/187398588.db2.gz AULLGVUYYVKSMR-HNNXBMFYSA-N 1 0 291.351 1.643 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000068590578 349072216 /nfs/dbraw/zinc/07/22/16/349072216.db2.gz VKYDGLKPAJKCKE-NSHDSACASA-N 1 0 294.355 1.734 20 5 CDBDRO [NH3+]CCCCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111007957 349220221 /nfs/dbraw/zinc/22/02/21/349220221.db2.gz JGXBAKYUTONCRX-UHFFFAOYSA-N 1 0 271.704 1.717 20 5 CDBDRO [NH3+]C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000036753605 362944528 /nfs/dbraw/zinc/94/45/28/362944528.db2.gz ALTUQPKZKXUKDJ-UHFFFAOYSA-N 1 0 264.285 1.550 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000054838767 349417562 /nfs/dbraw/zinc/41/75/62/349417562.db2.gz KERXDRORWXFJLX-UHFFFAOYSA-N 1 0 295.387 1.887 20 5 CDBDRO C[C@@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000091300475 180127925 /nfs/dbraw/zinc/12/79/25/180127925.db2.gz WBZWTMIDLNTYJI-MFKMUULPSA-N 1 0 293.323 1.151 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000109849868 186277720 /nfs/dbraw/zinc/27/77/20/186277720.db2.gz DQRLTWKLDXEOOQ-SNVBAGLBSA-N 1 0 263.297 1.276 20 5 CDBDRO Cc1nn(C)c(NCC[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000110793357 186325354 /nfs/dbraw/zinc/32/53/54/186325354.db2.gz ZGZQMBKXYCGRIK-JTQLQIEISA-N 1 0 267.333 1.438 20 5 CDBDRO [NH3+]CC1(NC(=O)c2cc(F)ccc2[N+](=O)[O-])CCCC1 ZINC000111831725 186462058 /nfs/dbraw/zinc/46/20/58/186462058.db2.gz PRXIRKNUEOJHEA-UHFFFAOYSA-N 1 0 281.287 1.735 20 5 CDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C1CC1 ZINC000079767918 350966737 /nfs/dbraw/zinc/96/67/37/350966737.db2.gz RVRQEXIVVPDJSJ-CQSZACIVSA-N 1 0 280.324 1.676 20 5 CDBDRO C[NH+](C)CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000291376581 198004265 /nfs/dbraw/zinc/00/42/65/198004265.db2.gz RCYFAXTUHAYOEZ-UHFFFAOYSA-N 1 0 292.339 1.461 20 5 CDBDRO [NH3+]C1(CNc2ncnc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000236213676 363032990 /nfs/dbraw/zinc/03/29/90/363032990.db2.gz GAXBUXZIVHKEPN-UHFFFAOYSA-N 1 0 273.296 1.831 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000122314322 187026748 /nfs/dbraw/zinc/02/67/48/187026748.db2.gz IJXWRJSDUUGDDF-JTQLQIEISA-N 1 0 267.260 1.297 20 5 CDBDRO C[NH2+][C@@H]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000123184863 187076395 /nfs/dbraw/zinc/07/63/95/187076395.db2.gz VJYDGWFBARLFMH-LLVKDONJSA-N 1 0 265.313 1.397 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000123601414 187100337 /nfs/dbraw/zinc/10/03/37/187100337.db2.gz CNZZTQFYLRDJFP-SNVBAGLBSA-N 1 0 255.343 1.840 20 5 CDBDRO Cc1c(CNCc2cnnn2C)cccc1[N+](=O)[O-] ZINC000231884100 140219730 /nfs/dbraw/zinc/21/97/30/140219730.db2.gz CGBRWRODZBQNMV-UHFFFAOYSA-N 1 0 261.285 1.322 20 5 CDBDRO C[C@@H](CCCC[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000292140246 198178741 /nfs/dbraw/zinc/17/87/41/198178741.db2.gz SLTXXTABKHOGRA-QMMMGPOBSA-N 1 0 298.318 1.563 20 5 CDBDRO CC(C)([NH2+]CC1OCCO1)c1ccccc1[N+](=O)[O-] ZINC000292195948 198198367 /nfs/dbraw/zinc/19/83/67/198198367.db2.gz RVEDNNPQOAMIRQ-UHFFFAOYSA-N 1 0 266.297 1.792 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[NH2+]C2)c2ncccc12 ZINC000052093861 363206394 /nfs/dbraw/zinc/20/63/94/363206394.db2.gz HXDUDMHESGQJHR-VIFPVBQESA-N 1 0 258.281 1.917 20 5 CDBDRO C[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000292398291 198272726 /nfs/dbraw/zinc/27/27/26/198272726.db2.gz OEHXIUAGVWKHDA-SECBINFHSA-N 1 0 283.303 1.661 20 5 CDBDRO CC1CC[NH+](CCn2cccc([N+](=O)[O-])c2=O)CC1 ZINC000154246456 188131918 /nfs/dbraw/zinc/13/19/18/188131918.db2.gz MSKKZBINTAZJQZ-UHFFFAOYSA-N 1 0 265.313 1.488 20 5 CDBDRO CNC(=O)CCC[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000154609263 188153810 /nfs/dbraw/zinc/15/38/10/188153810.db2.gz KJBJCKHNDAWBRW-UHFFFAOYSA-N 1 0 295.339 1.432 20 5 CDBDRO CO[C@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000361752322 358476135 /nfs/dbraw/zinc/47/61/35/358476135.db2.gz WQOWAZWTVXSDKZ-RYUDHWBXSA-N 1 0 268.317 1.339 20 5 CDBDRO COc1cc(C(=O)N2CCC(C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000156675902 188276644 /nfs/dbraw/zinc/27/66/44/188276644.db2.gz RQOPYYJHBKLAJR-UHFFFAOYSA-N 1 0 293.323 1.414 20 5 CDBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H]1OC ZINC000157197493 188302940 /nfs/dbraw/zinc/30/29/40/188302940.db2.gz KWAJXYJYOPTYLW-YUTCNCBUSA-N 1 0 280.324 1.877 20 5 CDBDRO CC1(C)CCCC[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000094325100 366091319 /nfs/dbraw/zinc/09/13/19/366091319.db2.gz LRTKRCMZCNDNDA-OLZOCXBDSA-N 1 0 296.371 1.711 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000135429381 358479855 /nfs/dbraw/zinc/47/98/55/358479855.db2.gz ZOZZPUHHJYFFGS-MNOVXSKESA-N 1 0 277.324 1.713 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000295237055 199417052 /nfs/dbraw/zinc/41/70/52/199417052.db2.gz OOZYQSLKCMSYAT-MRVPVSSYSA-N 1 0 266.301 1.034 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[C@H](C)[NH3+] ZINC000063170567 363277863 /nfs/dbraw/zinc/27/78/63/363277863.db2.gz UUXFIZVCJKCZJK-VIFPVBQESA-N 1 0 251.286 1.370 20 5 CDBDRO C[C@@H](NC(=O)N(C)C[C@@H]1CC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001579410922 1172170132 /nfs/dbraw/zinc/17/01/32/1172170132.db2.gz OLQJAFAMBWZXJZ-PWSUYJOCSA-N 1 0 292.339 1.659 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000063193388 363384034 /nfs/dbraw/zinc/38/40/34/363384034.db2.gz KMSVTZJSUWRKHR-IUCAKERBSA-N 1 0 267.285 1.530 20 5 CDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1CC[NH2+]CC1 ZINC000037116492 363388883 /nfs/dbraw/zinc/38/88/83/363388883.db2.gz CJNGGKHSABTJIW-AATRIKPKSA-N 1 0 275.308 1.476 20 5 CDBDRO Cc1n[nH]c(C(=O)NCC2(C)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000272477415 191741250 /nfs/dbraw/zinc/74/12/50/191741250.db2.gz BLNCZXGUOZTNHT-UHFFFAOYSA-N 1 0 295.343 1.088 20 5 CDBDRO C[C@@H]1CCSCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000286332162 356255522 /nfs/dbraw/zinc/25/55/22/356255522.db2.gz XBLDZSQCWXHUPN-LLVKDONJSA-N 1 0 297.380 1.584 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC([NH+](C)C)C1 ZINC000273543225 192193830 /nfs/dbraw/zinc/19/38/30/192193830.db2.gz UEFSXYWXJKYENT-UHFFFAOYSA-N 1 0 294.311 1.381 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286365461 356269549 /nfs/dbraw/zinc/26/95/49/356269549.db2.gz JQMDIQGCFXNLED-ZETCQYMHSA-N 1 0 281.341 1.962 20 5 CDBDRO CC[C@@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000359133708 356364811 /nfs/dbraw/zinc/36/48/11/356364811.db2.gz AIPUSXQYDGQLDV-ZDUSSCGKSA-N 1 0 293.367 1.936 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC1CC1 ZINC000134844072 356426129 /nfs/dbraw/zinc/42/61/29/356426129.db2.gz NDQUJOGVXKKVEQ-VHSXEESVSA-N 1 0 277.324 1.913 20 5 CDBDRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810227 356539374 /nfs/dbraw/zinc/53/93/74/356539374.db2.gz JTLABKAEROGQGN-LBPRGKRZSA-N 1 0 265.313 1.537 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)[C@@H]2CCCO2)cc1 ZINC000447913691 356927804 /nfs/dbraw/zinc/92/78/04/356927804.db2.gz JMHQOOHQVQHNQV-OLZOCXBDSA-N 1 0 266.297 1.224 20 5 CDBDRO COc1cccc(N2C[C@H](C[NH3+])C[C@H]2C)c1[N+](=O)[O-] ZINC000135060375 357314991 /nfs/dbraw/zinc/31/49/91/357314991.db2.gz OCNAZJLJOHDSLS-ZJUUUORDSA-N 1 0 265.313 1.777 20 5 CDBDRO COc1ccc(C[NH2+][C@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000120208580 357326817 /nfs/dbraw/zinc/32/68/17/357326817.db2.gz KVERULIPBIDQAC-CYBMUJFWSA-N 1 0 266.297 1.872 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000261973307 357349294 /nfs/dbraw/zinc/34/92/94/357349294.db2.gz NLQZVLPOOIWZOH-MNOVXSKESA-N 1 0 292.339 1.202 20 5 CDBDRO CC[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1C)[NH+](C)C ZINC000360526016 357359783 /nfs/dbraw/zinc/35/97/83/357359783.db2.gz CVLFMFXSIPJDEK-GFCCVEGCSA-N 1 0 279.340 1.860 20 5 CDBDRO CC[NH2+]CCCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000566203432 357435106 /nfs/dbraw/zinc/43/51/06/357435106.db2.gz VVMHVBBJPDEIPH-UHFFFAOYSA-N 1 0 281.312 1.089 20 5 CDBDRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])s1 ZINC000361093897 357797749 /nfs/dbraw/zinc/79/77/49/357797749.db2.gz DFRWJFJUIKKAII-VHSXEESVSA-N 1 0 295.364 1.774 20 5 CDBDRO O=C(N[C@H]1C[C@@H]1C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000361112358 357807563 /nfs/dbraw/zinc/80/75/63/357807563.db2.gz UOWUWZGFBOZNFR-KGLIPLIRSA-N 1 0 289.335 1.713 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000408071756 357810854 /nfs/dbraw/zinc/81/08/54/357810854.db2.gz LIUJXKDSGMRVEU-QWRGUYRKSA-N 1 0 277.324 1.759 20 5 CDBDRO CC[NH+](CC)CCCn1cccc([N+](=O)[O-])c1=O ZINC000188306969 357875940 /nfs/dbraw/zinc/87/59/40/357875940.db2.gz LMTSBHRHBHAGRE-UHFFFAOYSA-N 1 0 253.302 1.488 20 5 CDBDRO CCCc1n[nH]c(C(=O)NCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000264667383 357924991 /nfs/dbraw/zinc/92/49/91/357924991.db2.gz KLNBDSBTTGLTPL-UHFFFAOYSA-N 1 0 295.343 1.094 20 5 CDBDRO Cc1cc(NCC[N@@H+]2CCCOCC2)ncc1[N+](=O)[O-] ZINC000188491720 357903786 /nfs/dbraw/zinc/90/37/86/357903786.db2.gz ZZLLBZOBSZGLSD-UHFFFAOYSA-N 1 0 280.328 1.432 20 5 CDBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000294844941 199209831 /nfs/dbraw/zinc/20/98/31/199209831.db2.gz MVMPTROYZHKDDC-GFCCVEGCSA-N 1 0 277.324 1.857 20 5 CDBDRO CCCc1n[nH]c(C(=O)NCC[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000109621678 358441462 /nfs/dbraw/zinc/44/14/62/358441462.db2.gz GZAANEKQOQYEJU-UHFFFAOYSA-N 1 0 297.359 1.340 20 5 CDBDRO [NH3+]CCCCC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000567775962 358733880 /nfs/dbraw/zinc/73/38/80/358733880.db2.gz ALOHHIAYUMUJTJ-UHFFFAOYSA-N 1 0 280.328 1.252 20 5 CDBDRO COc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000186810230 358826617 /nfs/dbraw/zinc/82/66/17/358826617.db2.gz LRMUEUVTVXQMCC-GXSJLCMTSA-N 1 0 293.323 1.331 20 5 CDBDRO CCN(C)C(=O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000185176933 358776902 /nfs/dbraw/zinc/77/69/02/358776902.db2.gz MNDKSGUIGCWCDP-UHFFFAOYSA-N 1 0 265.313 1.471 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000186865483 358833479 /nfs/dbraw/zinc/83/34/79/358833479.db2.gz ZJUQZXHZVAGQEQ-GXFFZTMASA-N 1 0 277.324 1.252 20 5 CDBDRO C[C@@H](CO)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439931 358876357 /nfs/dbraw/zinc/87/63/57/358876357.db2.gz CAARRLLPAOEDGY-MRVPVSSYSA-N 1 0 258.705 1.966 20 5 CDBDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000449460697 358887047 /nfs/dbraw/zinc/88/70/47/358887047.db2.gz RQRLQOYAVFPUJA-OCCSQVGLSA-N 1 0 280.324 1.736 20 5 CDBDRO COc1ccc(C[N@H+](C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000106884341 359011875 /nfs/dbraw/zinc/01/18/75/359011875.db2.gz SPRJJRPARZWJLJ-LLVKDONJSA-N 1 0 266.297 1.824 20 5 CDBDRO CCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000338898537 359207707 /nfs/dbraw/zinc/20/77/07/359207707.db2.gz VCBLNUDOODSWSP-UHFFFAOYSA-N 1 0 282.344 1.347 20 5 CDBDRO C[NH+](C)CCO[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000342639543 359302897 /nfs/dbraw/zinc/30/28/97/359302897.db2.gz UHLMQILMKZPGCM-NSHDSACASA-N 1 0 297.330 1.891 20 5 CDBDRO O=C(CC[NH2+]C[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000569827188 359264485 /nfs/dbraw/zinc/26/44/85/359264485.db2.gz KMSVDBKQHVJIEH-LLVKDONJSA-N 1 0 293.323 1.692 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000571643935 359598878 /nfs/dbraw/zinc/59/88/78/359598878.db2.gz HNUGWTBGARQATI-ZJUUUORDSA-N 1 0 295.339 1.849 20 5 CDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCC[NH2+]C1 ZINC000050162640 359599449 /nfs/dbraw/zinc/59/94/49/359599449.db2.gz JLJMRJZZPRLJRO-IUCAKERBSA-N 1 0 283.353 1.774 20 5 CDBDRO C[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000050163906 359604842 /nfs/dbraw/zinc/60/48/42/359604842.db2.gz DWYRDJVVWROAEW-MWLCHTKSSA-N 1 0 292.339 1.494 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000289623413 359636388 /nfs/dbraw/zinc/63/63/88/359636388.db2.gz LPAYXGCXRQQWDN-CHWSQXEVSA-N 1 0 266.297 1.095 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000089107388 283463501 /nfs/dbraw/zinc/46/35/01/283463501.db2.gz KDXQUQCOCLLBFC-AAEUAGOBSA-N 1 0 277.324 1.842 20 5 CDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NC1CC1 ZINC000297306808 200142577 /nfs/dbraw/zinc/14/25/77/200142577.db2.gz BPKJWALKABXOQD-NSHDSACASA-N 1 0 291.351 1.784 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000342737910 360054717 /nfs/dbraw/zinc/05/47/17/360054717.db2.gz SECOFYNPEDLXBB-SNVBAGLBSA-N 1 0 293.323 1.219 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054263906 360065499 /nfs/dbraw/zinc/06/54/99/360065499.db2.gz CKSVFLQZXQGYRA-UHFFFAOYSA-N 1 0 269.276 1.463 20 5 CDBDRO Cc1ccc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000235444516 360121373 /nfs/dbraw/zinc/12/13/73/360121373.db2.gz UBQONSLGATXAJA-ZYHUDNBSSA-N 1 0 277.324 1.774 20 5 CDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000176898225 189013745 /nfs/dbraw/zinc/01/37/45/189013745.db2.gz NUTHHFSNBLWOSI-JTQLQIEISA-N 1 0 299.327 1.274 20 5 CDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1(C(N)=O)CCCC1 ZINC000120096860 360161453 /nfs/dbraw/zinc/16/14/53/360161453.db2.gz LZPUPZGHARKSLX-UHFFFAOYSA-N 1 0 277.324 1.825 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC(C)(C)[NH+](C)C)n1 ZINC000166732110 360253815 /nfs/dbraw/zinc/25/38/15/360253815.db2.gz CDVQJEFAJWUJLD-UHFFFAOYSA-N 1 0 296.327 1.529 20 5 CDBDRO Cc1ccc(NC(=O)NC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000298421439 200424484 /nfs/dbraw/zinc/42/44/84/200424484.db2.gz VOODFGLAMVLRPS-SNVBAGLBSA-N 1 0 280.328 1.975 20 5 CDBDRO CCc1ccc(C(=O)N(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000176383956 360262023 /nfs/dbraw/zinc/26/20/23/360262023.db2.gz NBEDXEDBGSPKKV-UHFFFAOYSA-N 1 0 279.340 1.791 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177176330 189033953 /nfs/dbraw/zinc/03/39/53/189033953.db2.gz WWXQDJPPHQQPAR-MNOVXSKESA-N 1 0 289.335 1.950 20 5 CDBDRO Cc1c([C@@H](C)NC[C@H](O)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000154310163 360337805 /nfs/dbraw/zinc/33/78/05/360337805.db2.gz YZIPYLNCVBQTDV-NEPJUHHUSA-N 1 0 281.356 1.476 20 5 CDBDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000177440832 189051876 /nfs/dbraw/zinc/05/18/76/189051876.db2.gz GQONRJFWACEFAC-AWEZNQCLSA-N 1 0 278.308 1.980 20 5 CDBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@H]1CCCOC1 ZINC000348150379 360524878 /nfs/dbraw/zinc/52/48/78/360524878.db2.gz YMSNHGMKGQBTBL-QWRGUYRKSA-N 1 0 268.317 1.196 20 5 CDBDRO CC(C)[N@H+](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000148035635 360630907 /nfs/dbraw/zinc/63/09/07/360630907.db2.gz WYQMGCQUGIFXMT-UHFFFAOYSA-N 1 0 251.286 1.874 20 5 CDBDRO C[C@@H]([NH3+])CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000178646028 189134211 /nfs/dbraw/zinc/13/42/11/189134211.db2.gz SNKFEJIZFQGVEE-SSDOTTSWSA-N 1 0 271.704 1.715 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000178528666 189124617 /nfs/dbraw/zinc/12/46/17/189124617.db2.gz UVIBUKIGUVTDED-NSHDSACASA-N 1 0 292.339 1.204 20 5 CDBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000179086081 189168140 /nfs/dbraw/zinc/16/81/40/189168140.db2.gz RFCVOWRCFNWOBR-ZLDLUXBVSA-N 1 0 294.351 1.864 20 5 CDBDRO C[C@@H](O)CN(CCO)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000289765334 361056679 /nfs/dbraw/zinc/05/66/79/361056679.db2.gz KXEFSERVBVJHDE-SECBINFHSA-N 1 0 288.731 1.423 20 5 CDBDRO C[C@H](O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000168414841 361191081 /nfs/dbraw/zinc/19/10/81/361191081.db2.gz UTUMTAZIFVZEDQ-VHSXEESVSA-N 1 0 295.295 1.706 20 5 CDBDRO CC[C@@H](NC(=O)CCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000236888459 361392187 /nfs/dbraw/zinc/39/21/87/361392187.db2.gz QCOGGTWHTWYFAB-GFCCVEGCSA-N 1 0 265.313 1.901 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1csc([N+](=O)[O-])c1 ZINC000053252957 361403079 /nfs/dbraw/zinc/40/30/79/361403079.db2.gz NTZVNWFLIUJKAY-QMMMGPOBSA-N 1 0 255.299 1.138 20 5 CDBDRO C[NH2+]CCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000036279826 361419041 /nfs/dbraw/zinc/41/90/41/361419041.db2.gz CQRRTRHMKCPDDU-VOTSOKGWSA-N 1 0 263.297 1.334 20 5 CDBDRO Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000049096728 361459058 /nfs/dbraw/zinc/45/90/58/361459058.db2.gz VAPUDDROGYIMQX-GFCCVEGCSA-N 1 0 277.324 1.727 20 5 CDBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000305236116 239388845 /nfs/dbraw/zinc/38/88/45/239388845.db2.gz XHEGUUQJKPEKTA-WDEREUQCSA-N 1 0 268.317 1.027 20 5 CDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CC1CC[NH2+]CC1 ZINC000074402369 363959382 /nfs/dbraw/zinc/95/93/82/363959382.db2.gz CZXVYZNIMKSMQY-UHFFFAOYSA-N 1 0 277.280 1.502 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)ccc1[N+](=O)[O-] ZINC000307916003 239402075 /nfs/dbraw/zinc/40/20/75/239402075.db2.gz VBHGUFUKVVLHLR-GFCCVEGCSA-N 1 0 277.324 1.774 20 5 CDBDRO C[C@H]([NH2+]C1CC1)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000295933405 370773155 /nfs/dbraw/zinc/77/31/55/370773155.db2.gz ATORPASCXVEJBC-VIFPVBQESA-N 1 0 275.308 1.624 20 5 CDBDRO C[N@@H+]1CCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268229373 364532037 /nfs/dbraw/zinc/53/20/37/364532037.db2.gz LFUJDHJQTBZUCP-LBPRGKRZSA-N 1 0 297.742 1.959 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCCC23CCOCC3)n1 ZINC000367057366 364679710 /nfs/dbraw/zinc/67/97/10/364679710.db2.gz IWMAFNLQZXXWJU-LBPRGKRZSA-N 1 0 294.355 1.730 20 5 CDBDRO CNc1nc(C(=O)NCC[NH2+]C(C)(C)C)ccc1[N+](=O)[O-] ZINC000412127001 240030879 /nfs/dbraw/zinc/03/08/79/240030879.db2.gz QCHFBFAZVFYPOM-UHFFFAOYSA-N 1 0 295.343 1.149 20 5 CDBDRO COc1cc(CN2CC[C@@H](O)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000249599886 364971858 /nfs/dbraw/zinc/97/18/58/364971858.db2.gz XVUUAJDKNAPCHY-TVQRCGJNSA-N 1 0 298.314 1.945 20 5 CDBDRO Cc1nc(N2CC[C@H]([NH3+])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000124161450 365406830 /nfs/dbraw/zinc/40/68/30/365406830.db2.gz PXMHRVJNYPCZDL-SCZZXKLOSA-N 1 0 250.302 1.472 20 5 CDBDRO CC[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000270903529 366942429 /nfs/dbraw/zinc/94/24/29/366942429.db2.gz MWOJFFRVXBAKEO-FZMZJTMJSA-N 1 0 280.324 1.676 20 5 CDBDRO Cc1ccc(C[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000271054063 366962242 /nfs/dbraw/zinc/96/22/42/366962242.db2.gz YNLLETMKXXQVRE-UHFFFAOYSA-N 1 0 250.298 1.860 20 5 CDBDRO C[N@@H+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000271078775 366966773 /nfs/dbraw/zinc/96/67/73/366966773.db2.gz XVXNZYFMPZGLIO-AWEZNQCLSA-N 1 0 293.367 1.654 20 5 CDBDRO Cc1ccc(NC(=O)N(C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000414655840 241304128 /nfs/dbraw/zinc/30/41/28/241304128.db2.gz HPQNETBFCYNWHL-UHFFFAOYSA-N 1 0 278.312 1.857 20 5 CDBDRO Cc1c(NC(=O)N2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000414714484 241348519 /nfs/dbraw/zinc/34/85/19/241348519.db2.gz VTDDOYCMTMJCMP-SNVBAGLBSA-N 1 0 278.312 1.858 20 5 CDBDRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000090526314 367569195 /nfs/dbraw/zinc/56/91/95/367569195.db2.gz VMXVRIYTWVAOEC-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO C[C@@H](NC(=O)N1CC[NH2+][C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000417128048 242329801 /nfs/dbraw/zinc/32/98/01/242329801.db2.gz HOTCHTGUSLDEGM-GHMZBOCLSA-N 1 0 292.339 1.659 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000417177543 242347504 /nfs/dbraw/zinc/34/75/04/242347504.db2.gz KULVSJVHRQPEST-SNVBAGLBSA-N 1 0 296.327 1.140 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000272297778 367673768 /nfs/dbraw/zinc/67/37/68/367673768.db2.gz QCAMLNONZZURTJ-GHMZBOCLSA-N 1 0 293.323 1.169 20 5 CDBDRO C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000272471894 367738918 /nfs/dbraw/zinc/73/89/18/367738918.db2.gz ABHGYYFPJWGENV-MNOVXSKESA-N 1 0 292.339 1.216 20 5 CDBDRO C[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](C)CO ZINC000282524229 367928003 /nfs/dbraw/zinc/92/80/03/367928003.db2.gz PTICZNOYCOVWNS-NXEZZACHSA-N 1 0 286.303 1.298 20 5 CDBDRO C[C@H](NC(=O)N[C@H](C[NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000418225957 242793721 /nfs/dbraw/zinc/79/37/21/242793721.db2.gz AKGYHUHAIJFRFL-TVQRCGJNSA-N 1 0 292.339 1.692 20 5 CDBDRO C[NH+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000121710152 368261039 /nfs/dbraw/zinc/26/10/39/368261039.db2.gz ZJWIVOUYQFWDOF-UHFFFAOYSA-N 1 0 255.249 1.025 20 5 CDBDRO Cc1cccc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000125951777 368263908 /nfs/dbraw/zinc/26/39/08/368263908.db2.gz AMCJIOLZZKRXJC-ZDUSSCGKSA-N 1 0 291.351 1.973 20 5 CDBDRO [NH3+][C@]12CCC[C@H]1CN(c1ncc([N+](=O)[O-])cc1Cl)C2 ZINC001580158623 1172366556 /nfs/dbraw/zinc/36/65/56/1172366556.db2.gz URJIIVZQEWMQRB-UFBFGSQYSA-N 1 0 282.731 1.961 20 5 CDBDRO NC(=O)c1ccc(NC[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420268092 244000773 /nfs/dbraw/zinc/00/07/73/244000773.db2.gz ABQQFTCIGYZATM-GXSJLCMTSA-N 1 0 292.339 1.623 20 5 CDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@H](C)C1 ZINC000420342667 244113946 /nfs/dbraw/zinc/11/39/46/244113946.db2.gz XSHVHWNDSWIDAM-MNOVXSKESA-N 1 0 292.339 1.216 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCN2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000420343804 244116581 /nfs/dbraw/zinc/11/65/81/244116581.db2.gz RJCHGHICJQWWKM-RISCZKNCSA-N 1 0 277.324 1.267 20 5 CDBDRO C[NH2+]CCCN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000420394323 244195430 /nfs/dbraw/zinc/19/54/30/244195430.db2.gz ZQUTZJNABCPLAA-UHFFFAOYSA-N 1 0 267.329 1.515 20 5 CDBDRO C[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420403578 244206581 /nfs/dbraw/zinc/20/65/81/244206581.db2.gz LEDRXPWLFXSCKU-STQMWFEESA-N 1 0 293.367 1.890 20 5 CDBDRO C[C@H](NC[C@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330880543 203347393 /nfs/dbraw/zinc/34/73/93/203347393.db2.gz NCKRDGUDIFNKJJ-SMDDNHRTSA-N 1 0 279.340 1.312 20 5 CDBDRO COc1ccc(CNC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414840207 370496337 /nfs/dbraw/zinc/49/63/37/370496337.db2.gz YFNASLAEIOKEQZ-LBPRGKRZSA-N 1 0 279.340 1.693 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000422719424 245175436 /nfs/dbraw/zinc/17/54/36/245175436.db2.gz RDDGMNLUCILLRW-MFKMUULPSA-N 1 0 279.340 1.820 20 5 CDBDRO CN1CC[NH2+]C[C@H]1CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414971842 371128852 /nfs/dbraw/zinc/12/88/52/371128852.db2.gz WXDVRRHDOKNZFC-KXQLTZBTSA-N 1 0 290.367 1.101 20 5 CDBDRO NC(=O)C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000367992586 371297125 /nfs/dbraw/zinc/29/71/25/371297125.db2.gz DNKTWYYRIWBADL-NSHDSACASA-N 1 0 263.297 1.292 20 5 CDBDRO Nc1nc(NC2CC[NH+](C3CCC3)CC2)ncc1[N+](=O)[O-] ZINC000296018904 371544171 /nfs/dbraw/zinc/54/41/71/371544171.db2.gz OCEJYFLSWBOBHU-UHFFFAOYSA-N 1 0 292.343 1.396 20 5 CDBDRO Cc1c(CC(=O)NCC[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000269603765 373093096 /nfs/dbraw/zinc/09/30/96/373093096.db2.gz IEXFCSWRDLCIDR-UHFFFAOYSA-N 1 0 291.351 1.656 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000423589326 245924690 /nfs/dbraw/zinc/92/46/90/245924690.db2.gz HEWMSXYLTKCLGP-DGCLKSJQSA-N 1 0 291.351 1.939 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417761633 374252558 /nfs/dbraw/zinc/25/25/58/374252558.db2.gz HNLPDKORUCRRDK-LLVKDONJSA-N 1 0 280.328 1.174 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418232213 374259556 /nfs/dbraw/zinc/25/95/56/374259556.db2.gz MJFLHYXDOVSDOS-IUCAKERBSA-N 1 0 266.301 1.302 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCOCCO)CCCC2 ZINC000417323724 374244878 /nfs/dbraw/zinc/24/48/78/374244878.db2.gz OXQMVEYXYDKOSV-OAHLLOKOSA-N 1 0 294.351 1.961 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]([NH3+])C2CC2)c1 ZINC000423484556 374386407 /nfs/dbraw/zinc/38/64/07/374386407.db2.gz UOYKREOLRCALAC-GFCCVEGCSA-N 1 0 293.323 1.461 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423851886 246144841 /nfs/dbraw/zinc/14/48/41/246144841.db2.gz SNQOVNBQMNTRHP-LDYMZIIASA-N 1 0 297.742 1.720 20 5 CDBDRO C[S@@](=O)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000116919337 374491351 /nfs/dbraw/zinc/49/13/51/374491351.db2.gz IHQKCDXZQXMYLJ-KRWDZBQOSA-N 1 0 256.327 1.453 20 5 CDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCC[NH2+]CC1 ZINC000376382516 374553042 /nfs/dbraw/zinc/55/30/42/374553042.db2.gz DOAOTWPJHFZFFG-NSHDSACASA-N 1 0 293.323 1.232 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000070173125 374653917 /nfs/dbraw/zinc/65/39/17/374653917.db2.gz NNNRSFODOAEYJC-BDAKNGLRSA-N 1 0 266.301 1.122 20 5 CDBDRO Cc1ccnc(N2CCC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000070496566 374664277 /nfs/dbraw/zinc/66/42/77/374664277.db2.gz KILBPADOKPCWPV-SNVBAGLBSA-N 1 0 250.302 1.473 20 5 CDBDRO COC(=O)[C@H]1C[C@H](C)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000274992505 374687409 /nfs/dbraw/zinc/68/74/09/374687409.db2.gz OFQVRULQJDKBEO-GHMZBOCLSA-N 1 0 296.327 1.065 20 5 CDBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000447840943 374717945 /nfs/dbraw/zinc/71/79/45/374717945.db2.gz VOCINVCSDAOKLO-NEPJUHHUSA-N 1 0 282.344 1.417 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)[C@H]2CCCO2)cs1 ZINC000447919663 374724166 /nfs/dbraw/zinc/72/41/66/374724166.db2.gz FLCUOOQPQLXXLE-NXEZZACHSA-N 1 0 272.326 1.286 20 5 CDBDRO Cc1ccc(NC(=O)[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000019503877 374742849 /nfs/dbraw/zinc/74/28/49/374742849.db2.gz NKUQXLUCXKVPRF-NSHDSACASA-N 1 0 263.297 1.984 20 5 CDBDRO COC[C@](C)(O)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449387081 374806130 /nfs/dbraw/zinc/80/61/30/374806130.db2.gz VUCUSMQXSLCMBA-SWLSCSKDSA-N 1 0 296.367 1.903 20 5 CDBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000331376497 374944638 /nfs/dbraw/zinc/94/46/38/374944638.db2.gz HARXMJWMTXGEDM-LLVKDONJSA-N 1 0 289.335 1.809 20 5 CDBDRO C[C@]1(C(N)=O)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000280226823 374987752 /nfs/dbraw/zinc/98/77/52/374987752.db2.gz JMJGYAJPGSLWNG-DRDHIDPGSA-N 1 0 289.335 1.805 20 5 CDBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000282333843 375080387 /nfs/dbraw/zinc/08/03/87/375080387.db2.gz LRSNXTYLTHJVJZ-ZDUSSCGKSA-N 1 0 293.323 1.184 20 5 CDBDRO COc1ccc(C[NH2+][C@H](C)C(=O)NCCF)cc1[N+](=O)[O-] ZINC000282600318 375094563 /nfs/dbraw/zinc/09/45/63/375094563.db2.gz HLKFTCMPNBHMJO-SECBINFHSA-N 1 0 299.302 1.167 20 5 CDBDRO CC(=O)[C@@](C)(O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332735383 375046629 /nfs/dbraw/zinc/04/66/29/375046629.db2.gz UUKSQWKNDJFMGF-AWEZNQCLSA-N 1 0 278.308 1.293 20 5 CDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000332733486 375047110 /nfs/dbraw/zinc/04/71/10/375047110.db2.gz WTPLWNHKJIBLOX-JTQLQIEISA-N 1 0 295.343 1.183 20 5 CDBDRO CC(C)[C@H](CO)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351761015 375328760 /nfs/dbraw/zinc/32/87/60/375328760.db2.gz VZOQSBPSJUEVNS-LBPRGKRZSA-N 1 0 274.267 1.980 20 5 CDBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[C@@H]1O ZINC000352668938 375527433 /nfs/dbraw/zinc/52/74/33/375527433.db2.gz WADMJQSABOGDJE-AAEUAGOBSA-N 1 0 293.323 1.039 20 5 CDBDRO C[C@@H]1CCC[C@H](CO)[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000305193705 375568283 /nfs/dbraw/zinc/56/82/83/375568283.db2.gz DHNMZJKKMRTHJD-GHMZBOCLSA-N 1 0 268.317 1.027 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000227975854 375658954 /nfs/dbraw/zinc/65/89/54/375658954.db2.gz FJHPAOHWAWTMFN-BXUZGUMPSA-N 1 0 280.324 1.533 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000345008481 375711951 /nfs/dbraw/zinc/71/19/51/375711951.db2.gz ZHUIVVCBQSTPFG-JTQLQIEISA-N 1 0 280.328 1.147 20 5 CDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000058923963 375841583 /nfs/dbraw/zinc/84/15/83/375841583.db2.gz IZVXUWUMEGGIGZ-NSHDSACASA-N 1 0 277.324 1.666 20 5 CDBDRO COC[C@H](CCO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000219140008 375954195 /nfs/dbraw/zinc/95/41/95/375954195.db2.gz AGIBZWWFMKUTLE-NSHDSACASA-N 1 0 254.286 1.082 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[NH2+]C1 ZINC000058233597 376032268 /nfs/dbraw/zinc/03/22/68/376032268.db2.gz ZZACWGJYYRIGQQ-VIFPVBQESA-N 1 0 283.715 1.682 20 5 CDBDRO CCc1n[nH]c(C(=O)NCCC[NH+](CC)CC)c1[N+](=O)[O-] ZINC000278103247 193834712 /nfs/dbraw/zinc/83/47/12/193834712.db2.gz WRFDVNGPQIBOLP-UHFFFAOYSA-N 1 0 297.359 1.342 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](CO)c1ccccc1 ZINC000267054392 376627466 /nfs/dbraw/zinc/62/74/66/376627466.db2.gz RILPVUXVDNDGJJ-AWEZNQCLSA-N 1 0 290.323 1.457 20 5 CDBDRO Cc1nc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ncc1[N+](=O)[O-] ZINC000296667981 376689108 /nfs/dbraw/zinc/68/91/08/376689108.db2.gz ZAWOXUSHDWDIAZ-GHMZBOCLSA-N 1 0 277.328 1.732 20 5 CDBDRO O=C1CCC[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)N1 ZINC000433188708 248004833 /nfs/dbraw/zinc/00/48/33/248004833.db2.gz CSALHVHTBLRQTE-NSHDSACASA-N 1 0 263.297 1.353 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000357372793 377117611 /nfs/dbraw/zinc/11/76/11/377117611.db2.gz JQWQEPSUYBBXSK-LLVKDONJSA-N 1 0 292.339 1.642 20 5 CDBDRO COc1cccc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)c1 ZINC000267094798 377212780 /nfs/dbraw/zinc/21/27/80/377212780.db2.gz RIAQPYZONBNUHG-UHFFFAOYSA-N 1 0 290.323 1.932 20 5 CDBDRO C[C@H](NC(=O)[C@H]1C[C@@]12CC[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000444152248 250089260 /nfs/dbraw/zinc/08/92/60/250089260.db2.gz MLTRDZMZKRPWCY-PSOPSSQASA-N 1 0 289.335 1.772 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC3(C2)CC[NH2+]CC3)c(F)c1 ZINC001580874972 1172557246 /nfs/dbraw/zinc/55/72/46/1172557246.db2.gz RNUMMYWTAHJEHB-UHFFFAOYSA-N 1 0 265.288 1.924 20 5 CDBDRO O=[N+]([O-])c1ccsc1N1CCC(OC2C[NH2+]C2)CC1 ZINC001580875747 1172557935 /nfs/dbraw/zinc/55/79/35/1172557935.db2.gz PUDAEMFMMYIHMR-UHFFFAOYSA-N 1 0 283.353 1.614 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC(=O)N1 ZINC000449294161 250786104 /nfs/dbraw/zinc/78/61/04/250786104.db2.gz XUIVBRZBTGQYSF-WCQYABFASA-N 1 0 291.351 1.784 20 5 CDBDRO COc1cc(C[NH2+]CCC2(CO)CC2)c([N+](=O)[O-])cc1O ZINC000449580860 250914464 /nfs/dbraw/zinc/91/44/64/250914464.db2.gz UZTWKBPZITXLMO-UHFFFAOYSA-N 1 0 296.323 1.561 20 5 CDBDRO Nc1c(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000449641770 250947673 /nfs/dbraw/zinc/94/76/73/250947673.db2.gz FCXCIQLXMIDGEH-NXEZZACHSA-N 1 0 292.339 1.424 20 5 CDBDRO Cc1nc(N(C)[C@@H]2CC[N@@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000450333275 251227895 /nfs/dbraw/zinc/22/78/95/251227895.db2.gz GGLWWGWPAHSCIW-LLVKDONJSA-N 1 0 277.328 1.366 20 5 CDBDRO Cc1nc(N[C@H]2CCC[N@H+](C)[C@H]2C)ncc1[N+](=O)[O-] ZINC000450435725 251282050 /nfs/dbraw/zinc/28/20/50/251282050.db2.gz IDSXQOUFLKRVNY-UWVGGRQHSA-N 1 0 265.317 1.588 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1NC[C@@H]1CCC[N@H+]1CCCO ZINC000450599531 251359699 /nfs/dbraw/zinc/35/96/99/251359699.db2.gz SLYBAFNIGMGUGB-NSHDSACASA-N 1 0 297.330 1.993 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000168716326 292866455 /nfs/dbraw/zinc/86/64/55/292866455.db2.gz NLVJIHTTZPIKDX-LRLQIDNFSA-N 1 0 289.335 1.804 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000286357821 390198823 /nfs/dbraw/zinc/19/88/23/390198823.db2.gz XZNQHFKVUSVPMA-CKYFFXLPSA-N 1 0 277.324 1.709 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000320645690 390479739 /nfs/dbraw/zinc/47/97/39/390479739.db2.gz FPZGXQBQGVDJCQ-YUMQZZPRSA-N 1 0 269.276 1.590 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H](C[NH3+])C1 ZINC000261698075 390482565 /nfs/dbraw/zinc/48/25/65/390482565.db2.gz FJSKBEKVXALIMU-MWLCHTKSSA-N 1 0 292.339 1.376 20 5 CDBDRO Cc1nc(N(C)[C@@H]2CC[N@@H+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000450959215 390583011 /nfs/dbraw/zinc/58/30/11/390583011.db2.gz XVZXISVOUFHXPP-LLVKDONJSA-N 1 0 279.344 1.612 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCCO[C@@H](C[NH3+])C1 ZINC000313344048 390646603 /nfs/dbraw/zinc/64/66/03/390646603.db2.gz DSKYVRJEMCFFFW-NEPJUHHUSA-N 1 0 279.340 1.705 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC(=O)N(C)C1 ZINC000540175327 390615248 /nfs/dbraw/zinc/61/52/48/390615248.db2.gz TYEWUOMSWGSKMI-QWRGUYRKSA-N 1 0 277.324 1.785 20 5 CDBDRO C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000430919768 390942399 /nfs/dbraw/zinc/94/23/99/390942399.db2.gz MCZLIPLFAKDQOX-FZMZJTMJSA-N 1 0 279.340 1.643 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299918197 391016619 /nfs/dbraw/zinc/01/66/19/391016619.db2.gz JXTFLNMVPJRLIP-SMDDNHRTSA-N 1 0 261.325 1.779 20 5 CDBDRO COC1([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)CCC1 ZINC000412019933 390974808 /nfs/dbraw/zinc/97/48/08/390974808.db2.gz GYZDNPBRORXLDR-JTQLQIEISA-N 1 0 268.317 1.339 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000323377542 391117110 /nfs/dbraw/zinc/11/71/10/391117110.db2.gz GITKKPWSHVHADR-GGZOMVNGSA-N 1 0 252.270 1.005 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CC1(C)C ZINC000489488192 391225103 /nfs/dbraw/zinc/22/51/03/391225103.db2.gz UEFXFQUXSKMKHX-LLVKDONJSA-N 1 0 265.313 1.487 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000415648684 391470047 /nfs/dbraw/zinc/47/00/47/391470047.db2.gz CGYCXHZLCWSEQH-SECBINFHSA-N 1 0 294.311 1.477 20 5 CDBDRO C[C@@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000415634243 391470228 /nfs/dbraw/zinc/47/02/28/391470228.db2.gz SCPKOTYKELSGRY-NKWVEPMBSA-N 1 0 270.264 1.591 20 5 CDBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000341875181 130101432 /nfs/dbraw/zinc/10/14/32/130101432.db2.gz JIMSWXFKZKXBHO-ZYHUDNBSSA-N 1 0 277.324 1.409 20 5 CDBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000439659173 391840107 /nfs/dbraw/zinc/84/01/07/391840107.db2.gz DIRBCODWBGHJFJ-UWVGGRQHSA-N 1 0 250.302 1.884 20 5 CDBDRO CC[C@@]1(O)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000495200008 391906411 /nfs/dbraw/zinc/90/64/11/391906411.db2.gz HITOJMFGEWNVMN-CQSZACIVSA-N 1 0 280.324 1.820 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC([NH3+])CC2)c1 ZINC000237332742 131024735 /nfs/dbraw/zinc/02/47/35/131024735.db2.gz VXPLPQALMSZSGO-UHFFFAOYSA-N 1 0 295.364 1.880 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000238067344 131075431 /nfs/dbraw/zinc/07/54/31/131075431.db2.gz JNEWFYQROMPZSH-GFCCVEGCSA-N 1 0 295.364 1.540 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000262759736 131259730 /nfs/dbraw/zinc/25/97/30/131259730.db2.gz IHIHULSKXXWFLS-NEPJUHHUSA-N 1 0 291.351 1.736 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000262900851 131271647 /nfs/dbraw/zinc/27/16/47/131271647.db2.gz XQSKKLXZHLLROE-MFKMUULPSA-N 1 0 277.324 1.631 20 5 CDBDRO C[C@H]([NH2+]C[C@H]1CCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000459395419 392430708 /nfs/dbraw/zinc/43/07/08/392430708.db2.gz PJIBOZVGJPRRDM-CMPLNLGQSA-N 1 0 277.324 1.772 20 5 CDBDRO Nc1c(C(=O)N2CCC[C@H](CC[NH3+])C2)cccc1[N+](=O)[O-] ZINC000442598908 392432554 /nfs/dbraw/zinc/43/25/54/392432554.db2.gz DEJRLHYBKPIRGD-SNVBAGLBSA-N 1 0 292.339 1.378 20 5 CDBDRO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C)[C@H]1C ZINC000419369103 392891050 /nfs/dbraw/zinc/89/10/50/392891050.db2.gz HBFZMMBKCPFQJT-VWYCJHECSA-N 1 0 252.318 1.768 20 5 CDBDRO COC(=O)c1cnc(N[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420234848 392910441 /nfs/dbraw/zinc/91/04/41/392910441.db2.gz HTLKUKPSCXPENQ-UWVGGRQHSA-N 1 0 294.311 1.458 20 5 CDBDRO CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[N@@H+]1C ZINC000421001661 392926075 /nfs/dbraw/zinc/92/60/75/392926075.db2.gz LKVAGRRYGGHKIU-AWEZNQCLSA-N 1 0 293.367 2.000 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NCCCN2CC[NH+](C)CC2)n1 ZINC000268866487 132079654 /nfs/dbraw/zinc/07/96/54/132079654.db2.gz CLPAKNATZDPVRH-UHFFFAOYSA-N 1 0 293.371 1.348 20 5 CDBDRO C[C@@H](CN)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423375664 392961797 /nfs/dbraw/zinc/96/17/97/392961797.db2.gz UPIJGKQEYAGNMB-GXFFZTMASA-N 1 0 263.341 1.853 20 5 CDBDRO O=C(C[C@@H]1CCC[NH2+]1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000429727075 393084837 /nfs/dbraw/zinc/08/48/37/393084837.db2.gz RZYLRLXJKZVWKM-LBPRGKRZSA-N 1 0 292.339 1.265 20 5 CDBDRO CC[N@H+](CCOCCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000282016172 393166825 /nfs/dbraw/zinc/16/68/25/393166825.db2.gz KARBPWKHRHTHPE-UHFFFAOYSA-N 1 0 268.313 1.426 20 5 CDBDRO C[C@@H]([NH2+]C1CC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000449158391 393131670 /nfs/dbraw/zinc/13/16/70/393131670.db2.gz YOYRDFLFWJQENM-SNVBAGLBSA-N 1 0 289.335 1.620 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000449295375 393134267 /nfs/dbraw/zinc/13/42/67/393134267.db2.gz RTVLIAUODPFKCK-OSAQELSMSA-N 1 0 294.351 1.655 20 5 CDBDRO C[C@@H](CNC(=O)/C=C\c1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000493822769 393221409 /nfs/dbraw/zinc/22/14/09/393221409.db2.gz NAOKIXCTRQCRDD-LAUAKBEESA-N 1 0 291.351 1.922 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000179022757 140011508 /nfs/dbraw/zinc/01/15/08/140011508.db2.gz QGEMNMVQCHRZON-JTQLQIEISA-N 1 0 293.323 1.285 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000189313879 140111949 /nfs/dbraw/zinc/11/19/49/140111949.db2.gz ZUXANCIOWJJLKK-SFYZADRCSA-N 1 0 269.326 1.527 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000229591453 140202331 /nfs/dbraw/zinc/20/23/31/140202331.db2.gz NZLIGVOMTJLYDG-CABZTGNLSA-N 1 0 299.352 1.014 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)C[C@@H]21 ZINC000230068120 140206642 /nfs/dbraw/zinc/20/66/42/140206642.db2.gz DNYKOXCNAJOLFJ-INTQDDNPSA-N 1 0 295.364 1.856 20 5 CDBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000231469055 140215861 /nfs/dbraw/zinc/21/58/61/140215861.db2.gz QCYMGJMHKHQEHI-LBPRGKRZSA-N 1 0 295.314 1.948 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)cccc1[N+](=O)[O-] ZINC000231856055 140219879 /nfs/dbraw/zinc/21/98/79/140219879.db2.gz FYDLMXPOUORDEG-MFKMUULPSA-N 1 0 291.351 1.908 20 5 CDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000232237298 140222264 /nfs/dbraw/zinc/22/22/64/140222264.db2.gz BEWQCLKJQRFAIH-OQHXTRMZSA-N 1 0 289.335 1.866 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261588721 140357658 /nfs/dbraw/zinc/35/76/58/140357658.db2.gz KHTZYKKTBMVUDZ-YPMHNXCESA-N 1 0 261.325 1.779 20 5 CDBDRO C[NH2+][C@H](C)Cc1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000261694706 140376917 /nfs/dbraw/zinc/37/69/17/140376917.db2.gz HSBJVGZHCLCYOD-MRVPVSSYSA-N 1 0 262.269 1.795 20 5 CDBDRO NC(=O)c1ccc(NCC2([NH3+])CCCCC2)c([N+](=O)[O-])c1 ZINC000261716396 140379964 /nfs/dbraw/zinc/37/99/64/140379964.db2.gz PQDLFBYDUSUEAZ-UHFFFAOYSA-N 1 0 292.339 1.767 20 5 CDBDRO O=[N+]([O-])c1cc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000261758774 140385828 /nfs/dbraw/zinc/38/58/28/140385828.db2.gz NNMRVSCCEJQLEQ-GFCCVEGCSA-N 1 0 296.396 1.136 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC2C[NH2+]C2)c1 ZINC000261926076 148988247 /nfs/dbraw/zinc/98/82/47/148988247.db2.gz BCOOLWYWWQTACR-UHFFFAOYSA-N 1 0 281.337 1.266 20 5 CDBDRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000344041516 152399808 /nfs/dbraw/zinc/39/98/08/152399808.db2.gz WBNSDNNKDMTSAT-OUCADQQQSA-N 1 0 292.335 1.806 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000346160222 153076926 /nfs/dbraw/zinc/07/69/26/153076926.db2.gz FDWUPZKMOFRCPN-MRVPVSSYSA-N 1 0 285.731 1.928 20 5 CDBDRO COc1ccc(CN2CC[NH2+][C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000346684196 153271203 /nfs/dbraw/zinc/27/12/03/153271203.db2.gz RJIINFYZSLPBDA-QWRGUYRKSA-N 1 0 279.340 1.786 20 5 CDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000354006723 156219867 /nfs/dbraw/zinc/21/98/67/156219867.db2.gz NKAVZAMPCJPMIY-SECBINFHSA-N 1 0 266.301 1.089 20 5 CDBDRO CC(C)[NH+](CCNC(=O)c1cc([N+](=O)[O-])nn1C)C(C)C ZINC000356122132 157363428 /nfs/dbraw/zinc/36/34/28/157363428.db2.gz YDFDQSHDTMEQJK-UHFFFAOYSA-N 1 0 297.359 1.177 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CC([C@@H]3CCOC3)C2)c1 ZINC000373642938 160217974 /nfs/dbraw/zinc/21/79/74/160217974.db2.gz WCFGWOKHGLSZCX-IUODEOHRSA-N 1 0 292.335 1.597 20 5 CDBDRO COC[C@@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000020557032 171250368 /nfs/dbraw/zinc/25/03/68/171250368.db2.gz XVNZDTJAXCYFMC-SECBINFHSA-N 1 0 254.286 1.728 20 5 CDBDRO CC[C@@H](CO)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285029427 196181476 /nfs/dbraw/zinc/18/14/76/196181476.db2.gz HQMKUTJDGCHDIJ-SCZZXKLOSA-N 1 0 253.302 1.599 20 5 CDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)C[NH+]1CCCCC1 ZINC000285066715 196189534 /nfs/dbraw/zinc/18/95/34/196189534.db2.gz LJXGGXMZPLRQAJ-SNVBAGLBSA-N 1 0 295.343 1.170 20 5 CDBDRO COCC[C@H](CO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285310305 196247289 /nfs/dbraw/zinc/24/72/89/196247289.db2.gz SMRONJMDSYCXPZ-GXSJLCMTSA-N 1 0 283.328 1.225 20 5 CDBDRO C[NH2+]CCCC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668510 173610605 /nfs/dbraw/zinc/61/06/05/173610605.db2.gz KFRFDDYJRTYAPW-UHFFFAOYSA-N 1 0 251.286 1.211 20 5 CDBDRO C[NH2+]CCCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000037669337 173611245 /nfs/dbraw/zinc/61/12/45/173611245.db2.gz XHUODDLHFULIFO-UHFFFAOYSA-N 1 0 255.249 1.073 20 5 CDBDRO COc1ccc(O[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000043501539 175058568 /nfs/dbraw/zinc/05/85/68/175058568.db2.gz UICIZPKGWHNGFE-SNVBAGLBSA-N 1 0 252.270 1.734 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000044559188 175204319 /nfs/dbraw/zinc/20/43/19/175204319.db2.gz IPANBCNFLYQPRE-CQSZACIVSA-N 1 0 263.341 1.951 20 5 CDBDRO CC[NH2+]CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000044649646 175224381 /nfs/dbraw/zinc/22/43/81/175224381.db2.gz UVPIGCCSWQKRGO-VIFPVBQESA-N 1 0 251.286 1.382 20 5 CDBDRO CNC(=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000044988685 175285635 /nfs/dbraw/zinc/28/56/35/175285635.db2.gz JFPOQPPUYYQHHG-VIFPVBQESA-N 1 0 251.286 1.382 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000070446833 175938559 /nfs/dbraw/zinc/93/85/59/175938559.db2.gz HUOQCSMDZVERQQ-SSDOTTSWSA-N 1 0 257.315 1.369 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000071143702 176041207 /nfs/dbraw/zinc/04/12/07/176041207.db2.gz MFPCMRGFQHUNII-SECBINFHSA-N 1 0 297.742 1.930 20 5 CDBDRO CCCN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000071315667 176122110 /nfs/dbraw/zinc/12/21/10/176122110.db2.gz PCOBZYJZCNLMMI-ZDUSSCGKSA-N 1 0 291.351 1.738 20 5 CDBDRO CCCN(c1ccc([N+](=O)[O-])nc1)[C@@H]1CC[NH2+]C1 ZINC000071332758 176126121 /nfs/dbraw/zinc/12/61/21/176126121.db2.gz YHEGZWABOCCGEC-LLVKDONJSA-N 1 0 250.302 1.568 20 5 CDBDRO Cc1c(CNC(=O)NC[C@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000418085323 228019119 /nfs/dbraw/zinc/01/91/19/228019119.db2.gz XQBWOYMMPCAPAH-SECBINFHSA-N 1 0 280.328 1.297 20 5 CDBDRO CN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000214660670 260044080 /nfs/dbraw/zinc/04/40/80/260044080.db2.gz DALVZMSWEQLEHL-DGMVEKRQSA-N 1 0 275.308 1.428 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000313324730 260284499 /nfs/dbraw/zinc/28/44/99/260284499.db2.gz SFAURHSTINLFIC-BTWRCGQFSA-N 1 0 289.335 1.804 20 5 CDBDRO [NH3+]C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000313342585 260285604 /nfs/dbraw/zinc/28/56/04/260285604.db2.gz GQGFWRHAGTUCGO-CYBMUJFWSA-N 1 0 265.313 1.144 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000277334949 263040701 /nfs/dbraw/zinc/04/07/01/263040701.db2.gz RYPUBAGGKWEXAB-SNVBAGLBSA-N 1 0 280.328 1.479 20 5 CDBDRO CC(C)([NH3+])c1noc(COc2ccc([N+](=O)[O-])cc2F)n1 ZINC000043402673 270226927 /nfs/dbraw/zinc/22/69/27/270226927.db2.gz RURHETWZWSARGX-UHFFFAOYSA-N 1 0 296.258 1.890 20 5 CDBDRO NC(=O)CC1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103468749 270235060 /nfs/dbraw/zinc/23/50/60/270235060.db2.gz WXDBSJPNQOWVDU-UHFFFAOYSA-N 1 0 295.314 1.821 20 5 CDBDRO CC(C)[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000399600449 270374300 /nfs/dbraw/zinc/37/43/00/270374300.db2.gz VAUAACFWPGMPNA-SMDDNHRTSA-N 1 0 293.367 1.873 20 5 CDBDRO C[NH2+][C@@H]1CCCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000053220972 273972210 /nfs/dbraw/zinc/97/22/10/273972210.db2.gz MJZOKMFHTOGVGA-MRVPVSSYSA-N 1 0 281.341 1.492 20 5 CDBDRO C[NH2+][C@@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000133100456 273972580 /nfs/dbraw/zinc/97/25/80/273972580.db2.gz XJHVOHZIENGDLF-SNVBAGLBSA-N 1 0 272.308 1.941 20 5 CDBDRO C[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[NH2+]1 ZINC000235384706 274361625 /nfs/dbraw/zinc/36/16/25/274361625.db2.gz VNQGPGHHTPCDOR-SSDOTTSWSA-N 1 0 290.245 1.807 20 5 CDBDRO CC(C)c1n[nH]c(C(=O)NC[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000269382163 276041339 /nfs/dbraw/zinc/04/13/39/276041339.db2.gz PHDRTJMGULTQPT-SECBINFHSA-N 1 0 295.343 1.123 20 5 CDBDRO C[NH+](C)C1CN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000270707548 276775480 /nfs/dbraw/zinc/77/54/80/276775480.db2.gz CIDWYUKWTMUJCW-UHFFFAOYSA-N 1 0 256.693 1.393 20 5 CDBDRO C[NH2+]CCCC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000237168240 277021712 /nfs/dbraw/zinc/02/17/12/277021712.db2.gz KRHDUQWIISPKKW-UHFFFAOYSA-N 1 0 265.313 1.253 20 5 CDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)[C@@H]2C1 ZINC000272557617 277175804 /nfs/dbraw/zinc/17/58/04/277175804.db2.gz TZYRPQQLIUYGFE-VHSXEESVSA-N 1 0 279.296 1.354 20 5 CDBDRO C[NH2+][C@H](C)CN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423393349 277298940 /nfs/dbraw/zinc/29/89/40/277298940.db2.gz PCBWSEICUVDGHB-GHMZBOCLSA-N 1 0 251.330 1.723 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000414175866 277671769 /nfs/dbraw/zinc/67/17/69/277671769.db2.gz CYCQSELNVXDRBJ-QLFBSQMISA-N 1 0 292.335 1.976 20 5 CDBDRO C[C@@H](CO)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447580318 278290601 /nfs/dbraw/zinc/29/06/01/278290601.db2.gz NUYTVSIOYCPITI-AXFHLTTASA-N 1 0 268.317 1.245 20 5 CDBDRO CC[NH+](CC)CC1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000339019226 279092550 /nfs/dbraw/zinc/09/25/50/279092550.db2.gz AXFQENCLLITRDD-UHFFFAOYSA-N 1 0 295.387 1.887 20 5 CDBDRO CSCC[C@@H]([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000131177126 279666691 /nfs/dbraw/zinc/66/66/91/279666691.db2.gz DCGJNAWGHMTULG-LLVKDONJSA-N 1 0 283.353 1.291 20 5 CDBDRO C[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)[C@@H](C)C[NH2+]1 ZINC000261628839 279894011 /nfs/dbraw/zinc/89/40/11/279894011.db2.gz AYUWNWLVOHCFRZ-YUMQZZPRSA-N 1 0 293.352 1.786 20 5 CDBDRO Cc1c(C(=O)NCC[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000166682121 280214687 /nfs/dbraw/zinc/21/46/87/280214687.db2.gz DGEGEBYYCQZQBB-LLVKDONJSA-N 1 0 277.324 1.775 20 5 CDBDRO O=[N+]([O-])c1ccccc1N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261859940 280375574 /nfs/dbraw/zinc/37/55/74/280375574.db2.gz XSICHIXKQOJXSP-GFCCVEGCSA-N 1 0 276.340 1.079 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000518241449 281016787 /nfs/dbraw/zinc/01/67/87/281016787.db2.gz VUBVCBIGJBKMNI-NWDGAFQWSA-N 1 0 292.339 1.290 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000377150644 281018951 /nfs/dbraw/zinc/01/89/51/281018951.db2.gz HODZYJOCYFRRHR-LBPRGKRZSA-N 1 0 267.260 1.543 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000459697228 281022630 /nfs/dbraw/zinc/02/26/30/281022630.db2.gz YIYHTFIFBJFKGK-WDMOLILDSA-N 1 0 280.324 1.249 20 5 CDBDRO CC(C)OC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000530686061 281577614 /nfs/dbraw/zinc/57/76/14/281577614.db2.gz FIZWNJBLUJUMFT-UHFFFAOYSA-N 1 0 282.344 1.681 20 5 CDBDRO COC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000541595868 289501732 /nfs/dbraw/zinc/50/17/32/289501732.db2.gz UJOZPMBRADNCFG-SNVBAGLBSA-N 1 0 256.306 1.052 20 5 CDBDRO CNc1ccc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000563108946 293276908 /nfs/dbraw/zinc/27/69/08/293276908.db2.gz RPJPYEGRQXGNSZ-ZJUUUORDSA-N 1 0 292.339 1.446 20 5 CDBDRO COc1ccc([C@@H](C[NH3+])Cn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000564926092 293457991 /nfs/dbraw/zinc/45/79/91/293457991.db2.gz FQYRYBXYOVGJEL-LBPRGKRZSA-N 1 0 290.323 1.851 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000568749511 294093364 /nfs/dbraw/zinc/09/33/64/294093364.db2.gz ZVSXVBUOGDCXFU-RISCZKNCSA-N 1 0 289.335 1.646 20 5 CDBDRO C[C@H](O)CC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000571428982 294434378 /nfs/dbraw/zinc/43/43/78/294434378.db2.gz UQXDXAYMZZHTDY-QWRGUYRKSA-N 1 0 295.339 1.672 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCCC1(C)C ZINC000331134809 294458277 /nfs/dbraw/zinc/45/82/77/294458277.db2.gz CEUBNQRJUUVQPJ-SNVBAGLBSA-N 1 0 252.318 1.997 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000571921753 294523868 /nfs/dbraw/zinc/52/38/68/294523868.db2.gz BSIYPCOZIMCFHJ-GHMZBOCLSA-N 1 0 279.340 1.769 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000089091010 295253465 /nfs/dbraw/zinc/25/34/65/295253465.db2.gz KLUZHJUTVLXDEN-TYDXBBDOSA-N 1 0 289.335 1.852 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3nc4sccn4c3[N+](=O)[O-])C[C@@H]21 ZINC000576464579 317143616 /nfs/dbraw/zinc/14/36/16/317143616.db2.gz KNDVBLAUZDXSRL-BDAKNGLRSA-N 1 0 293.352 1.444 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1nnc2n1CCC2 ZINC000576716053 317195244 /nfs/dbraw/zinc/19/52/44/317195244.db2.gz OJSAGKZOCPOHCF-GFCCVEGCSA-N 1 0 299.334 1.910 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000577073195 317261534 /nfs/dbraw/zinc/26/15/34/317261534.db2.gz MMAQFIQKOHAHGG-NEPJUHHUSA-N 1 0 279.340 1.785 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000381348830 323625211 /nfs/dbraw/zinc/62/52/11/323625211.db2.gz HLLGZNUYQXESIV-BDAKNGLRSA-N 1 0 251.286 1.369 20 5 CDBDRO C[C@@H](O)[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000386961198 323755886 /nfs/dbraw/zinc/75/58/86/323755886.db2.gz YZKRSPJXOHAWNZ-VHSXEESVSA-N 1 0 254.286 1.333 20 5 CDBDRO C[NH2+][C@@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000580345757 324443671 /nfs/dbraw/zinc/44/36/71/324443671.db2.gz RXFBMJSJAVWMOG-JTQLQIEISA-N 1 0 277.324 1.694 20 5 CDBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000583126338 325111021 /nfs/dbraw/zinc/11/10/21/325111021.db2.gz DJTURWSIHIRBKJ-LLVKDONJSA-N 1 0 294.355 1.490 20 5 CDBDRO Cc1nc(N[C@@H]2C[NH2+]CC[C@H]2C)ncc1[N+](=O)[O-] ZINC000584282290 327216078 /nfs/dbraw/zinc/21/60/78/327216078.db2.gz WEIDRKJTAPZCGL-VXNVDRBHSA-N 1 0 251.290 1.103 20 5 CDBDRO CCOC(=O)N1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168967900 1161996225 /nfs/dbraw/zinc/99/62/25/1161996225.db2.gz UKPZVGUECMOGGJ-DGCLKSJQSA-N 1 0 299.371 1.642 20 5 CDBDRO CCOC(=O)C1(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168967141 1161996338 /nfs/dbraw/zinc/99/63/38/1161996338.db2.gz NQINCHDPZZNTCF-QWRGUYRKSA-N 1 0 270.329 1.365 20 5 CDBDRO Cc1cccc(C(=O)N[C@H]2C[N@@H+](C)CC2(C)C)c1[N+](=O)[O-] ZINC001156591733 1162026998 /nfs/dbraw/zinc/02/69/98/1162026998.db2.gz YGDPBZUVINVLAF-LBPRGKRZSA-N 1 0 291.351 1.973 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@H](C)[NH2+]1 ZINC000153733139 534403568 /nfs/dbraw/zinc/40/35/68/534403568.db2.gz MDFSFLYUHHPYQD-HTQZYQBOSA-N 1 0 296.302 1.139 20 5 CDBDRO CC(C)NC(=O)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926376 519715228 /nfs/dbraw/zinc/71/52/28/519715228.db2.gz HJJKDGIBSRQYGL-JTQLQIEISA-N 1 0 265.313 1.598 20 5 CDBDRO CC[NH+](CC)CCOCCNc1ncc([N+](=O)[O-])s1 ZINC000337017171 520693595 /nfs/dbraw/zinc/69/35/95/520693595.db2.gz MZNLMQVYPUANAX-UHFFFAOYSA-N 1 0 288.373 1.244 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000236761964 521649774 /nfs/dbraw/zinc/64/97/74/521649774.db2.gz JAGUTLCHKJKCDY-UHFFFAOYSA-N 1 0 294.355 1.640 20 5 CDBDRO C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000070076069 524799234 /nfs/dbraw/zinc/79/92/34/524799234.db2.gz VUQPXQZDSGOHRU-PHIMTYICSA-N 1 0 277.324 1.346 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000070075667 526135902 /nfs/dbraw/zinc/13/59/02/526135902.db2.gz YXRGJJNCLLHBAC-GHMZBOCLSA-N 1 0 277.324 1.726 20 5 CDBDRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000184805500 526961156 /nfs/dbraw/zinc/96/11/56/526961156.db2.gz AKSVUWOGGGKCSE-KGLIPLIRSA-N 1 0 291.351 1.771 20 5 CDBDRO O=C(C[C@@H]1CCC[NH2+]1)NCc1cccc([N+](=O)[O-])c1 ZINC000052943180 527117139 /nfs/dbraw/zinc/11/71/39/527117139.db2.gz XUFNHMQXEOKRIU-NSHDSACASA-N 1 0 263.297 1.353 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c1 ZINC000069137726 527386526 /nfs/dbraw/zinc/38/65/26/527386526.db2.gz DOOWXCOISHYOMT-LLVKDONJSA-N 1 0 284.337 1.262 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1COCCO1 ZINC000338715468 527397682 /nfs/dbraw/zinc/39/76/82/527397682.db2.gz GOGNJMMCDBRIII-HSBHDXMMSA-N 1 0 278.308 1.613 20 5 CDBDRO Nc1c(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000159248124 527424609 /nfs/dbraw/zinc/42/46/09/527424609.db2.gz QXNQIVPCRGPGIJ-AWEZNQCLSA-N 1 0 290.323 1.003 20 5 CDBDRO C[NH+](C)C(C)(C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000123408868 536110125 /nfs/dbraw/zinc/11/01/25/536110125.db2.gz GFZQECCDWCVZHH-UHFFFAOYSA-N 1 0 297.330 1.733 20 5 CDBDRO COc1ccc(NC(=O)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000261545586 536779345 /nfs/dbraw/zinc/77/93/45/536779345.db2.gz FJDKVFJTDDSAJL-ZETCQYMHSA-N 1 0 253.258 1.279 20 5 CDBDRO C[C@@H]1CCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cn1 ZINC000760552828 576493018 /nfs/dbraw/zinc/49/30/18/576493018.db2.gz ROXFVZSOVQEDHD-SECBINFHSA-N 1 0 251.290 1.281 20 5 CDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000744800870 576698163 /nfs/dbraw/zinc/69/81/63/576698163.db2.gz ZPUUBGHGDMWOGN-JTQLQIEISA-N 1 0 292.339 1.249 20 5 CDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000744800871 576698239 /nfs/dbraw/zinc/69/82/39/576698239.db2.gz ZPUUBGHGDMWOGN-SNVBAGLBSA-N 1 0 292.339 1.249 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](CCO)C1CC1 ZINC000763064277 576707149 /nfs/dbraw/zinc/70/71/49/576707149.db2.gz IFGCUWBCAOTYPC-LBPRGKRZSA-N 1 0 268.288 1.985 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CO)C2CC2)cc1 ZINC000763066271 576707479 /nfs/dbraw/zinc/70/74/79/576707479.db2.gz JDSZGPCCVFBFNR-ZDUSSCGKSA-N 1 0 250.298 1.498 20 5 CDBDRO CCCC[N@H+](CCO)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891458305 617419256 /nfs/dbraw/zinc/41/92/56/617419256.db2.gz RTCDLDLPOZMGJG-UHFFFAOYSA-N 1 0 298.339 1.903 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000892099386 617480459 /nfs/dbraw/zinc/48/04/59/617480459.db2.gz LQATWLFJTQUZJL-LLVKDONJSA-N 1 0 294.355 1.700 20 5 CDBDRO CC(C)[NH2+][C@H]1CCCN(c2c([N+](=O)[O-])cnn2C)C1 ZINC000892178999 617531789 /nfs/dbraw/zinc/53/17/89/617531789.db2.gz JVCNKJNARRSSPP-JTQLQIEISA-N 1 0 267.333 1.295 20 5 CDBDRO COc1c(O)ccc(C[N@H+](C)C[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000892180423 617533156 /nfs/dbraw/zinc/53/31/56/617533156.db2.gz PIMKTZQTZFYUMM-JTQLQIEISA-N 1 0 296.323 1.777 20 5 CDBDRO CO[C@@H]1CCOC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000934045330 617868118 /nfs/dbraw/zinc/86/81/18/617868118.db2.gz MGFZIYVPZDWZRM-DGCLKSJQSA-N 1 0 296.323 1.367 20 5 CDBDRO COC(=O)C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000934032228 617878330 /nfs/dbraw/zinc/87/83/30/617878330.db2.gz PHVCVGBIEFBBTD-LLVKDONJSA-N 1 0 298.343 1.359 20 5 CDBDRO Cc1ccc(CNC(=O)NC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000891961033 617893038 /nfs/dbraw/zinc/89/30/38/617893038.db2.gz FDIMYYFHWRUVMA-UHFFFAOYSA-N 1 0 292.339 1.454 20 5 CDBDRO CC[C@H](C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2OC)CC1 ZINC000894101771 618410977 /nfs/dbraw/zinc/41/09/77/618410977.db2.gz JAUSSSLKJIJQLY-NSHDSACASA-N 1 0 294.355 1.919 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000843310543 618704618 /nfs/dbraw/zinc/70/46/18/618704618.db2.gz NGFGSOCVNFQENZ-UHFFFAOYSA-N 1 0 283.303 1.772 20 5 CDBDRO COc1c(O)ccc(C[N@H+](C)CC(C)(C)CO)c1[N+](=O)[O-] ZINC000894688239 619019001 /nfs/dbraw/zinc/01/90/01/619019001.db2.gz OPBHMJTVRXCTIX-UHFFFAOYSA-N 1 0 298.339 1.759 20 5 CDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1COCO1 ZINC000894879499 619116136 /nfs/dbraw/zinc/11/61/36/619116136.db2.gz YVFWJJPQBLLMKU-WCQYABFASA-N 1 0 280.324 1.878 20 5 CDBDRO CCC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)CC[NH2+]1 ZINC000895058480 619243082 /nfs/dbraw/zinc/24/30/82/619243082.db2.gz LRPMHHOFTNYVCU-LLVKDONJSA-N 1 0 264.329 1.877 20 5 CDBDRO C[C@@H](CC[NH+](C)C)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000881857844 619279959 /nfs/dbraw/zinc/27/99/59/619279959.db2.gz IHUJBRNGNOFNPG-QMMMGPOBSA-N 1 0 256.281 1.881 20 5 CDBDRO C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1F ZINC000928560834 619383494 /nfs/dbraw/zinc/38/34/94/619383494.db2.gz WLDYXRFAXRZTAA-MWLCHTKSSA-N 1 0 295.314 1.658 20 5 CDBDRO C[N@@H+]1CC[C@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000895769758 619835523 /nfs/dbraw/zinc/83/55/23/619835523.db2.gz HPHOGPRSDSKMJA-VIFPVBQESA-N 1 0 273.296 1.654 20 5 CDBDRO C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925251530 620627221 /nfs/dbraw/zinc/62/72/21/620627221.db2.gz DBUMYILOHZTTFF-MFKMUULPSA-N 1 0 292.339 1.659 20 5 CDBDRO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000897684250 621072340 /nfs/dbraw/zinc/07/23/40/621072340.db2.gz LRFMRVABACMMRD-OZAOCKQISA-N 1 0 262.309 1.921 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC[C@@H](O)C2CC2)cc1 ZINC000898197255 621392544 /nfs/dbraw/zinc/39/25/44/621392544.db2.gz DVUHVMLBAGXTBR-CQSZACIVSA-N 1 0 264.325 1.888 20 5 CDBDRO CN1CC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000903317083 625970609 /nfs/dbraw/zinc/97/06/09/625970609.db2.gz JHVKVRMSZITSFF-UPJWGTAASA-N 1 0 293.371 1.569 20 5 CDBDRO O=[N+]([O-])CC[NH2+]Cc1cccc(Br)c1 ZINC000905040023 626379721 /nfs/dbraw/zinc/37/97/21/626379721.db2.gz YHURZNIIWHWCFW-UHFFFAOYSA-N 1 0 259.103 1.815 20 5 CDBDRO CC(C)(C)OC(=O)N1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905051197 626387334 /nfs/dbraw/zinc/38/73/34/626387334.db2.gz TZTUZSMFXYLISA-UHFFFAOYSA-N 1 0 273.333 1.252 20 5 CDBDRO CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+]CC[N+](=O)[O-] ZINC000905104829 626621753 /nfs/dbraw/zinc/62/17/53/626621753.db2.gz HRRZUBOASYRDCK-LLVKDONJSA-N 1 0 289.376 1.792 20 5 CDBDRO Cc1cccc([C@H](O)C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000905177724 626680978 /nfs/dbraw/zinc/68/09/78/626680978.db2.gz PSNNUVUMYHGBKT-CQSZACIVSA-N 1 0 290.323 1.423 20 5 CDBDRO C[C@@H](O)[C@@](C)(C[NH2+]CC[N+](=O)[O-])Cc1ccccc1 ZINC000905366033 626785341 /nfs/dbraw/zinc/78/53/41/626785341.db2.gz SCVWGDJELLLTFB-TZMCWYRMSA-N 1 0 266.341 1.483 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000905376354 626792136 /nfs/dbraw/zinc/79/21/36/626792136.db2.gz TXFGDWOYNJIXAN-CHWSQXEVSA-N 1 0 250.298 1.019 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000915662044 631789235 /nfs/dbraw/zinc/78/92/35/631789235.db2.gz BKEGRQIGAMOCRW-SNVBAGLBSA-N 1 0 289.291 1.285 20 5 CDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCn2ccnc2[N+](=O)[O-])C1 ZINC000918386790 632365933 /nfs/dbraw/zinc/36/59/33/632365933.db2.gz KLMLWCKBHLDJRJ-GHMZBOCLSA-N 1 0 252.318 1.769 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)OCCC[NH+](C)C)c1 ZINC000920274485 632745792 /nfs/dbraw/zinc/74/57/92/632745792.db2.gz OFLLDENCTVVFBD-UHFFFAOYSA-N 1 0 282.296 1.712 20 5 CDBDRO [NH3+]CC[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)c2ccccc21 ZINC000063129342 1162308739 /nfs/dbraw/zinc/30/87/39/1162308739.db2.gz BTNZMMFGISJCPA-SNVBAGLBSA-N 1 0 285.307 1.969 20 5 CDBDRO CCNC(=O)C[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170297987 1162328729 /nfs/dbraw/zinc/32/87/29/1162328729.db2.gz XRRULZOOSKGKRJ-SNVBAGLBSA-N 1 0 295.339 1.260 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170307833 1162340035 /nfs/dbraw/zinc/34/00/35/1162340035.db2.gz IRHUYVHCAFSGFQ-DLOVCJGASA-N 1 0 280.324 1.647 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000792877786 1162374231 /nfs/dbraw/zinc/37/42/31/1162374231.db2.gz PGLQAPKPANWLIB-LBPRGKRZSA-N 1 0 295.295 1.754 20 5 CDBDRO CN(CC[NH3+])CCNc1cc2cccnc2c([N+](=O)[O-])c1 ZINC001170502979 1162661966 /nfs/dbraw/zinc/66/19/66/1162661966.db2.gz XRIGFCPQQDPHIJ-UHFFFAOYSA-N 1 0 289.339 1.445 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ncn3ccccc23)C1 ZINC001168998589 1161996725 /nfs/dbraw/zinc/99/67/25/1161996725.db2.gz OWYMDUFYFCNTGT-RYUDHWBXSA-N 1 0 274.324 1.869 20 5 CDBDRO Cc1c(CC(=O)OCCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000792054148 1162257374 /nfs/dbraw/zinc/25/73/74/1162257374.db2.gz XSFVLASTVJCCHT-UHFFFAOYSA-N 1 0 280.324 1.941 20 5 CDBDRO COC[C@H](C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818978830 1164194899 /nfs/dbraw/zinc/19/48/99/1164194899.db2.gz RMBWESKAOLRXDZ-ZWNOBZJWSA-N 1 0 268.313 1.500 20 5 CDBDRO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609157214 1164802741 /nfs/dbraw/zinc/80/27/41/1164802741.db2.gz PQPWBHVYNOWKAT-RKDXNWHRSA-N 1 0 288.311 1.758 20 5 CDBDRO CC[C@H]1COCCN1CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000872772894 1165478309 /nfs/dbraw/zinc/47/83/09/1165478309.db2.gz BZEVQKJURGPYHA-LBPRGKRZSA-N 1 0 294.355 1.700 20 5 CDBDRO CC[C@@]1(O)CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000879313726 1166332130 /nfs/dbraw/zinc/33/21/30/1166332130.db2.gz OFPWFLNMXHILJE-HUUCEWRRSA-N 1 0 294.351 1.865 20 5 CDBDRO [NH3+]C[C@@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000050249658 1166641289 /nfs/dbraw/zinc/64/12/89/1166641289.db2.gz PMRPEUXXHWZWEE-JTQLQIEISA-N 1 0 272.308 1.928 20 5 CDBDRO C[C@H](O)[C@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930635841 1166765494 /nfs/dbraw/zinc/76/54/94/1166765494.db2.gz AKILRWAUEKROHG-CORIIIEPSA-N 1 0 294.351 1.516 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1N1C[C@@H]([NH3+])Cc2ccccc21 ZINC001155307070 1167122175 /nfs/dbraw/zinc/12/21/75/1167122175.db2.gz PNXOIHHKFPIQSP-JTQLQIEISA-N 1 0 285.307 1.594 20 5 CDBDRO Cc1cc(N[C@@H]2COC[C@@H]2[NH3+])nc2ccc([N+](=O)[O-])cc12 ZINC001155346332 1167135989 /nfs/dbraw/zinc/13/59/89/1167135989.db2.gz ZTLNKRDBHBDJEN-WCQYABFASA-N 1 0 288.307 1.589 20 5 CDBDRO Cc1cnc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)c([N+](=O)[O-])c1 ZINC001155514958 1167206259 /nfs/dbraw/zinc/20/62/59/1167206259.db2.gz NSSRQIFMAIJPPE-WZRBSPASSA-N 1 0 292.339 1.335 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]1C[C@]12CC[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001574098615 1170878311 /nfs/dbraw/zinc/87/83/11/1170878311.db2.gz GHCBRZSUERTSHG-GMXABZIVSA-N 1 0 289.335 1.772 20 5 CDBDRO O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)[C@@H]1CCC[NH2+]1 ZINC001574341955 1170953094 /nfs/dbraw/zinc/95/30/94/1170953094.db2.gz VYRAJCSJUHYVMT-LBPRGKRZSA-N 1 0 286.291 1.834 20 5 CDBDRO C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1F ZINC001575058306 1171097373 /nfs/dbraw/zinc/09/73/73/1171097373.db2.gz BZCIFEZTLCGSMW-VYUIOLGVSA-N 1 0 295.314 1.643 20 5 CDBDRO CC[NH2+]CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001577849936 1171754185 /nfs/dbraw/zinc/75/41/85/1171754185.db2.gz MAZQAXIWIIVPMQ-UHFFFAOYSA-N 1 0 289.694 1.727 20 5 CDBDRO CN(C[C@H]1CC[NH2+]1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001578456620 1171921530 /nfs/dbraw/zinc/92/15/30/1171921530.db2.gz RCLSERHVVCTHDG-MRVPVSSYSA-N 1 0 261.285 1.269 20 5 CDBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC001580253150 1172384565 /nfs/dbraw/zinc/38/45/65/1172384565.db2.gz IFCVIYBJCHUTJI-XPTSAGLGSA-N 1 0 290.323 1.130 20 5 CDBDRO Nc1c(Cl)cc(C(=O)NC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001580432237 1172432470 /nfs/dbraw/zinc/43/24/70/1172432470.db2.gz ILNQXOKMGSKVFT-UHFFFAOYSA-N 1 0 298.730 1.312 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1C[C@H]2CC[NH2+]C[C@H]21 ZINC001580822210 1172549693 /nfs/dbraw/zinc/54/96/93/1172549693.db2.gz NUSAXNRCEAUWNH-PRHODGIISA-N 1 0 279.271 1.168 20 5 CDBDRO CC[NH2+]CC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000131590227 1175784024 /nfs/dbraw/zinc/78/40/24/1175784024.db2.gz YBPGOORFKVKDKX-UHFFFAOYSA-N 1 0 264.329 1.816 20 5 CDBDRO Cc1cnc(CO[C@@H]2CCC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000232242975 1178188973 /nfs/dbraw/zinc/18/89/73/1178188973.db2.gz JKXXWTSVAKUZMS-LLVKDONJSA-N 1 0 265.313 1.875 20 5 CDBDRO CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000165885377 1181042757 /nfs/dbraw/zinc/04/27/57/1181042757.db2.gz IIIGEKMWGUDTPT-NSHDSACASA-N 1 0 281.287 1.558 20 5 CDBDRO COc1cnc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001164631838 719192204 /nfs/dbraw/zinc/19/22/04/719192204.db2.gz CMNLFPRZJSEXPP-UWVGGRQHSA-N 1 0 280.328 1.527 20 5 CDBDRO CC[NH+](CC)[C@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173468081 783803913 /nfs/dbraw/zinc/80/39/13/783803913.db2.gz MNBPPFVLZZRZLX-NSHDSACASA-N 1 0 267.333 1.165 20 5 CDBDRO C[C@@H]1COCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590595 783676638 /nfs/dbraw/zinc/67/66/38/783676638.db2.gz IGQJEFKBCKQPAN-RISCZKNCSA-N 1 0 280.324 1.739 20 5 CDBDRO Cn1nccc1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000231033415 783736459 /nfs/dbraw/zinc/73/64/59/783736459.db2.gz ZRZDVJJOJBVMDA-UHFFFAOYSA-N 1 0 260.297 1.661 20 5 CDBDRO COC(=O)[C@@H](C)CN(Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885981486 783910660 /nfs/dbraw/zinc/91/06/60/783910660.db2.gz GWRUMQLHRQJSSV-JTQLQIEISA-N 1 0 293.323 1.763 20 5 CDBDRO COc1ccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000923519891 783981440 /nfs/dbraw/zinc/98/14/40/783981440.db2.gz UTGFKHHXAHEKKF-QWHCGFSZSA-N 1 0 291.351 1.645 20 5 CDBDRO COC[C@](C)([NH3+])CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804458543 783996466 /nfs/dbraw/zinc/99/64/66/783996466.db2.gz MDUDOLBLHBJGOC-LLVKDONJSA-N 1 0 284.272 1.279 20 5 CDBDRO C[C@H](N[C@@H]1CC[NH2+]C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817945119 784266147 /nfs/dbraw/zinc/26/61/47/784266147.db2.gz UNJSCWVQAZZLCI-WCBMZHEXSA-N 1 0 250.302 1.190 20 5 CDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000794578323 784339649 /nfs/dbraw/zinc/33/96/49/784339649.db2.gz YBSSDGPPTLFJAU-ZYHUDNBSSA-N 1 0 295.314 1.738 20 5 CDBDRO O=C1NCCN1CC[NH2+]CC=Cc1ccccc1[N+](=O)[O-] ZINC000886324522 784559094 /nfs/dbraw/zinc/55/90/94/784559094.db2.gz WBHIRVZOEZEYJH-HYXAFXHYSA-N 1 0 290.323 1.223 20 5 CDBDRO C[NH2+]C[C@@H](C)CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000420217833 784628181 /nfs/dbraw/zinc/62/81/81/784628181.db2.gz XQNVKWWQFDYTJK-SNVBAGLBSA-N 1 0 274.324 1.832 20 5 CDBDRO CN(CCC[NH3+])C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702055848 784691571 /nfs/dbraw/zinc/69/15/71/784691571.db2.gz NQYLJJQHZAPEOQ-UHFFFAOYSA-N 1 0 271.704 1.669 20 5 CDBDRO C[NH2+]CCCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841010179 784812853 /nfs/dbraw/zinc/81/28/53/784812853.db2.gz CAZXOYWHXKVDRF-UHFFFAOYSA-N 1 0 286.719 1.979 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NCC[N@@H+](C)CCOCCO ZINC000882951509 784827478 /nfs/dbraw/zinc/82/74/78/784827478.db2.gz ILZKWHUVOYATLD-UHFFFAOYSA-N 1 0 297.355 1.256 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000132287022 784884627 /nfs/dbraw/zinc/88/46/27/784884627.db2.gz VTTBZJAJGTUDCS-ZJUUUORDSA-N 1 0 278.312 1.796 20 5 CDBDRO C[NH+]1CCC(CNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000804404716 785046268 /nfs/dbraw/zinc/04/62/68/785046268.db2.gz XARUSIPNNRTWQD-UHFFFAOYSA-N 1 0 264.329 1.931 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CC[C@H](O)CC2)c1 ZINC000819375445 785301854 /nfs/dbraw/zinc/30/18/54/785301854.db2.gz QJUHOGQLHVFRJR-UBHSHLNASA-N 1 0 280.324 1.521 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000829539489 785368627 /nfs/dbraw/zinc/36/86/27/785368627.db2.gz ZRXWUCFARRHMEV-GFCCVEGCSA-N 1 0 285.388 1.811 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@]1(O)CCO[C@H]1C ZINC000873116528 785476814 /nfs/dbraw/zinc/47/68/14/785476814.db2.gz IUJHKASXMAYCDY-SWLSCSKDSA-N 1 0 294.351 1.841 20 5 CDBDRO CCC(=O)c1ccc(N(C)CCOCC[NH3+])c([N+](=O)[O-])c1 ZINC000864570694 785685716 /nfs/dbraw/zinc/68/57/16/785685716.db2.gz ZGQGWYXGQZVPKZ-UHFFFAOYSA-N 1 0 295.339 1.599 20 5 CDBDRO CC[C@H]([NH3+])c1cn(Cc2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000714048381 785902033 /nfs/dbraw/zinc/90/20/33/785902033.db2.gz JIADAFAYPXQUKX-NSHDSACASA-N 1 0 275.312 1.953 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923293897 786087402 /nfs/dbraw/zinc/08/74/02/786087402.db2.gz ZABMRUITBMXXKB-CHWSQXEVSA-N 1 0 265.313 1.051 20 5 CDBDRO NC(=O)CC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000817411706 786151500 /nfs/dbraw/zinc/15/15/00/786151500.db2.gz YAOXVSTYQDJZDK-UHFFFAOYSA-N 1 0 297.742 1.993 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](C)[C@H](C)[NH3+])CC2 ZINC000818608375 786169291 /nfs/dbraw/zinc/16/92/91/786169291.db2.gz BBYYQNWKPKNMLO-ZJUUUORDSA-N 1 0 277.324 1.776 20 5 CDBDRO C[C@H]([NH2+]CCN1CCOC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000830161065 786244074 /nfs/dbraw/zinc/24/40/74/786244074.db2.gz LHAWKMOSSIMOQK-JTQLQIEISA-N 1 0 279.296 1.698 20 5 CDBDRO CON(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000883170869 786254065 /nfs/dbraw/zinc/25/40/65/786254065.db2.gz HATMUJAYUOTFKA-UHFFFAOYSA-N 1 0 253.302 1.486 20 5 CDBDRO C[C@]1(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[NH2+]C1 ZINC000062917560 786319341 /nfs/dbraw/zinc/31/93/41/786319341.db2.gz JTOSLIWZUFDODL-ZDUSSCGKSA-N 1 0 274.280 1.896 20 5 CDBDRO CCC[N@H+](CC)CCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000219162195 786331237 /nfs/dbraw/zinc/33/12/37/786331237.db2.gz RBRNOGZLULAGAK-OAHLLOKOSA-N 1 0 295.383 1.950 20 5 CDBDRO Cc1nc(NC[C@H]2C[NH2+]CCC2(F)F)ccc1[N+](=O)[O-] ZINC000717164761 786427938 /nfs/dbraw/zinc/42/79/38/786427938.db2.gz RQORRJRZILAGSF-SECBINFHSA-N 1 0 286.282 1.955 20 5 CDBDRO CC(C)[C@@H]([NH3+])CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817957331 786637379 /nfs/dbraw/zinc/63/73/79/786637379.db2.gz AYRNLWZKLSHFRO-SKDRFNHKSA-N 1 0 266.345 1.811 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000876534578 786777640 /nfs/dbraw/zinc/77/76/40/786777640.db2.gz CIPUFSRDYZLLFT-LLVKDONJSA-N 1 0 279.340 1.925 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@H](C)C2)c1C ZINC000884031032 786811602 /nfs/dbraw/zinc/81/16/02/786811602.db2.gz DLXUKAHLUXPTHH-SNVBAGLBSA-N 1 0 277.324 1.646 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](O)C(F)(F)F)cc1 ZINC000231202359 786816191 /nfs/dbraw/zinc/81/61/91/786816191.db2.gz GRYGUICLKPWKHW-ZJUUUORDSA-N 1 0 294.229 1.141 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@H](C)C[NH3+])n2)c1 ZINC000823089552 786873386 /nfs/dbraw/zinc/87/33/86/786873386.db2.gz VTDOCJYXPIXKLG-MRVPVSSYSA-N 1 0 292.295 1.639 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]21 ZINC000858563316 786954287 /nfs/dbraw/zinc/95/42/87/786954287.db2.gz WYNDXDULBJEFMQ-IWIIMEHWSA-N 1 0 292.295 1.499 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1CC[N+](=O)[O-] ZINC000931464170 787043910 /nfs/dbraw/zinc/04/39/10/787043910.db2.gz JTKSOBDFPSZCQX-VHSXEESVSA-N 1 0 273.333 1.251 20 5 CDBDRO C/C=C\C[C@H](CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843077031 787094336 /nfs/dbraw/zinc/09/43/36/787094336.db2.gz KQLCTZLFAZULJU-BTBCPRSTSA-N 1 0 280.324 1.545 20 5 CDBDRO Nc1ccc(C(=O)NCCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000846698868 787131947 /nfs/dbraw/zinc/13/19/47/787131947.db2.gz CQZQCESOWOTVTK-UHFFFAOYSA-N 1 0 292.339 1.297 20 5 CDBDRO COc1cc(NC[C@H](C)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000214220961 787608338 /nfs/dbraw/zinc/60/83/38/787608338.db2.gz BDYWBCKAPMLHTB-VIFPVBQESA-N 1 0 283.328 1.974 20 5 CDBDRO CC(C)[C@@H]1CN(Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000840093566 787847287 /nfs/dbraw/zinc/84/72/87/787847287.db2.gz AVICSFTYKDGGHI-LBPRGKRZSA-N 1 0 268.317 1.496 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000925596660 787871646 /nfs/dbraw/zinc/87/16/46/787871646.db2.gz KSPGGWLGQNESFH-RISCZKNCSA-N 1 0 279.340 1.704 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCOCCO ZINC000866217342 787878964 /nfs/dbraw/zinc/87/89/64/787878964.db2.gz XMPGIERQHAEMES-SNVBAGLBSA-N 1 0 286.303 1.263 20 5 CDBDRO C[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1CO ZINC000886162642 787883560 /nfs/dbraw/zinc/88/35/60/787883560.db2.gz VBZOBRQBJTWJME-GXSJLCMTSA-N 1 0 251.286 1.193 20 5 CDBDRO COC(=O)C1CC([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000877722512 787896095 /nfs/dbraw/zinc/89/60/95/787896095.db2.gz XSSVVIQWXRCGOJ-UHFFFAOYSA-N 1 0 278.308 1.679 20 5 CDBDRO CC1(C)CC([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000788582132 787953058 /nfs/dbraw/zinc/95/30/58/787953058.db2.gz ICNJJZYKBUDCHZ-ZIAGYGMSSA-N 1 0 294.351 1.767 20 5 CDBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000804364622 788079152 /nfs/dbraw/zinc/07/91/52/788079152.db2.gz VZCKUNSCFBGZNK-IUCAKERBSA-N 1 0 278.268 1.159 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)CCC[NH3+] ZINC000876535323 788176254 /nfs/dbraw/zinc/17/62/54/788176254.db2.gz MZKMYZUIHZAMJZ-UHFFFAOYSA-N 1 0 265.313 1.632 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCS(=O)CC1 ZINC000158175070 788379477 /nfs/dbraw/zinc/37/94/77/788379477.db2.gz LNTMMIZNKPPBCZ-UHFFFAOYSA-N 1 0 298.364 1.604 20 5 CDBDRO CSCCNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867957761 788593078 /nfs/dbraw/zinc/59/30/78/788593078.db2.gz XZRVJRDXRCDXAF-LBPRGKRZSA-N 1 0 283.353 1.248 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700627792 788802840 /nfs/dbraw/zinc/80/28/40/788802840.db2.gz OHNSUDKIGOBRFT-SECBINFHSA-N 1 0 297.742 1.978 20 5 CDBDRO C[C@H]([NH2+]CCc1cn[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC000852096259 788864652 /nfs/dbraw/zinc/86/46/52/788864652.db2.gz JTKIUMCZIDLRQG-VIFPVBQESA-N 1 0 261.285 1.606 20 5 CDBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886162689 788866909 /nfs/dbraw/zinc/86/69/09/788866909.db2.gz VYGJBHWBUWBWHZ-MDZLAQPJSA-N 1 0 279.340 1.971 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[S@@](C)=O ZINC000786816756 788921726 /nfs/dbraw/zinc/92/17/26/788921726.db2.gz WRWOVSTYQADUIA-SCEWNMGZSA-N 1 0 282.365 1.966 20 5 CDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000818047736 788999260 /nfs/dbraw/zinc/99/92/60/788999260.db2.gz JJOPZQSVCXUZGJ-KOLCDFICSA-N 1 0 283.715 1.554 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000923359546 789042800 /nfs/dbraw/zinc/04/28/00/789042800.db2.gz RKDDHSVJYXQORJ-NWANDNLSSA-N 1 0 291.351 1.312 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000876511416 789069317 /nfs/dbraw/zinc/06/93/17/789069317.db2.gz HVSPCXCYVVWIFD-LBPRGKRZSA-N 1 0 291.351 1.909 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+]1C ZINC000158930834 789198144 /nfs/dbraw/zinc/19/81/44/789198144.db2.gz FITRANKWPVMWEN-UWVGGRQHSA-N 1 0 292.339 1.390 20 5 CDBDRO C[C@@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)C[C@H](C)[NH2+]1 ZINC000865949682 789428884 /nfs/dbraw/zinc/42/88/84/789428884.db2.gz XGJPHIBITIMPBA-DTORHVGOSA-N 1 0 283.303 1.413 20 5 CDBDRO CO[C@@H](C)[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819324070 789474690 /nfs/dbraw/zinc/47/46/90/789474690.db2.gz SVECBMPDSBAEIW-NRUUGDAUSA-N 1 0 268.313 1.641 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000886560172 789636154 /nfs/dbraw/zinc/63/61/54/789636154.db2.gz QAPPSIFJBLQBKP-AOOOYVTPSA-N 1 0 268.342 1.086 20 5 CDBDRO CSC[C@@H](C)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867949929 789697438 /nfs/dbraw/zinc/69/74/38/789697438.db2.gz LUYYGYACGARHPI-NOZJJQNGSA-N 1 0 297.380 1.636 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCOCC(F)F)c1 ZINC000819256059 789802216 /nfs/dbraw/zinc/80/22/16/789802216.db2.gz HPRQIJUHRCLVIR-LLVKDONJSA-N 1 0 290.266 1.500 20 5 CDBDRO C[C@@H](NC(=O)CCCC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001574099313 1167629700 /nfs/dbraw/zinc/62/97/00/1167629700.db2.gz XRTDECLXOOKVJF-SNVBAGLBSA-N 1 0 265.313 1.901 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H](C)O)c1F ZINC001173175576 912281846 /nfs/dbraw/zinc/28/18/46/912281846.db2.gz PMKDLGNSBFQPSE-RKDXNWHRSA-N 1 0 286.303 1.644 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCO)c1F ZINC001173175251 912280982 /nfs/dbraw/zinc/28/09/82/912280982.db2.gz MITFGWIPPTWXNF-MRVPVSSYSA-N 1 0 272.276 1.255 20 5 CDBDRO CCC(CO)(CO)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215981 912299152 /nfs/dbraw/zinc/29/91/52/912299152.db2.gz GQPUORQHYAICOP-NSHDSACASA-N 1 0 282.340 1.249 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(C)(CO)C1 ZINC001173229829 912321258 /nfs/dbraw/zinc/32/12/58/912321258.db2.gz VMTKMMFDCHVHEN-NSHDSACASA-N 1 0 264.325 1.840 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1COC(=O)C1 ZINC001173234317 912329041 /nfs/dbraw/zinc/32/90/41/912329041.db2.gz OEKWWJAELCPSEC-MWLCHTKSSA-N 1 0 264.281 1.431 20 5 CDBDRO CC1(C)C[C@H](CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])O1 ZINC001168452518 913428572 /nfs/dbraw/zinc/42/85/72/913428572.db2.gz IHQXDNROVWKAES-SECBINFHSA-N 1 0 293.327 1.051 20 5 CDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424026708 900817561 /nfs/dbraw/zinc/81/75/61/900817561.db2.gz LEZDQXDTFNIMTB-CQSZACIVSA-N 1 0 293.298 1.702 20 5 CDBDRO COc1cc(O[C@@H](C)C[NH+](C)C)ncc1[N+](=O)[O-] ZINC001226582700 905360436 /nfs/dbraw/zinc/36/04/36/905360436.db2.gz ZPPQPMVLSDMFDB-QMMMGPOBSA-N 1 0 255.274 1.327 20 5 CDBDRO CC(C)=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002788090 921238855 /nfs/dbraw/zinc/23/88/55/921238855.db2.gz NHYZHSZHMLGDQT-CHWSQXEVSA-N 1 0 281.356 1.198 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCC[C@H](O)C2)cc1 ZINC000300699029 921304207 /nfs/dbraw/zinc/30/42/07/921304207.db2.gz RENULGUNLOFGDW-TUKIKUTGSA-N 1 0 294.351 1.769 20 5 CDBDRO Cc1ccccc1OCCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224320216 909292363 /nfs/dbraw/zinc/29/23/63/909292363.db2.gz VYBIYXFKFIUNFQ-CQSZACIVSA-N 1 0 296.387 1.374 20 5 CDBDRO O=C(NCC[NH2+]CC1CCC2(CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126939258 909968323 /nfs/dbraw/zinc/96/83/23/909968323.db2.gz UWPLOSNETODWDU-CHWSQXEVSA-N 1 0 295.383 1.328 20 5 CDBDRO COC(=O)[C@H]1CCC[C@H](OCCC[N+](C)(C)C)C1 ZINC001224623393 909986629 /nfs/dbraw/zinc/98/66/29/909986629.db2.gz NCIWQVWMKPMTCV-STQMWFEESA-N 1 0 258.382 1.831 20 5 CDBDRO C[N+](C)(C)CCO[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001224771653 910660135 /nfs/dbraw/zinc/66/01/35/910660135.db2.gz QCMHGAUWUQREQC-CQSZACIVSA-N 1 0 265.333 1.785 20 5 CDBDRO CC(CO)(CO)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900634 912037245 /nfs/dbraw/zinc/03/72/45/912037245.db2.gz XCBIJJJSITYCTR-ZDUSSCGKSA-N 1 0 294.351 1.175 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H](O)CF)CC2 ZINC001172905314 912039556 /nfs/dbraw/zinc/03/95/56/912039556.db2.gz IVGUWSZKYNDPSU-OCCSQVGLSA-N 1 0 282.315 1.762 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CNC(=O)C1 ZINC001254539110 936406767 /nfs/dbraw/zinc/40/67/67/936406767.db2.gz BUSPEXYTDPTAKC-ONGXEEELSA-N 1 0 263.297 1.004 20 5 CDBDRO Cc1c(-n2cnc(C[NH3+])c2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001162302247 922211970 /nfs/dbraw/zinc/21/19/70/922211970.db2.gz NGUBYHCGHIYFSP-UHFFFAOYSA-N 1 0 277.240 1.456 20 5 CDBDRO C[N@@H+]1CCC[C@](C)(Nc2nc(Cl)ncc2[N+](=O)[O-])C1 ZINC001162330558 922317429 /nfs/dbraw/zinc/31/74/29/922317429.db2.gz HAAHRLQFPAJCMY-NSHDSACASA-N 1 0 285.735 1.934 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000839728616 936921674 /nfs/dbraw/zinc/92/16/74/936921674.db2.gz QKTGCFCKDUVEQL-FMKGYKFTSA-N 1 0 291.351 1.459 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001165388743 925021714 /nfs/dbraw/zinc/02/17/14/925021714.db2.gz ZTMIXRXCNUYGGT-BDAKNGLRSA-N 1 0 268.704 1.584 20 5 CDBDRO [NH3+][C@H]1CCc2nn(-c3cccc4ncc([N+](=O)[O-])n43)cc2C1 ZINC001168816315 927448854 /nfs/dbraw/zinc/44/88/54/927448854.db2.gz BDZOUISKJQLIOV-JTQLQIEISA-N 1 0 298.306 1.244 20 5 CDBDRO COc1ccc(N(CC[NH3+])c2cccnc2)nc1[N+](=O)[O-] ZINC001168832352 927478176 /nfs/dbraw/zinc/47/81/76/927478176.db2.gz QBARQRYDHVFGBX-UHFFFAOYSA-N 1 0 289.295 1.490 20 5 CDBDRO Cc1c(CC[NH3+])c(=O)[nH]n1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168984359 927572579 /nfs/dbraw/zinc/57/25/79/927572579.db2.gz MJXJOKBQBVBIAU-UWVGGRQHSA-N 1 0 268.317 1.016 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccnc(F)c2)C1 ZINC001168984346 927572615 /nfs/dbraw/zinc/57/26/15/927572615.db2.gz MEJNZIVMRMPSDR-QWRGUYRKSA-N 1 0 253.277 1.756 20 5 CDBDRO O=C1CCCN1CCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168958279 927579534 /nfs/dbraw/zinc/57/95/34/927579534.db2.gz MFNYEGQFSIFHGA-VXGBXAGGSA-N 1 0 269.345 1.034 20 5 CDBDRO NC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168962366 927584352 /nfs/dbraw/zinc/58/43/52/927584352.db2.gz LVRAYOHUOFCMNW-MCIONIFRSA-N 1 0 291.351 1.118 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](CO)Cc2ccccc2)C1 ZINC001168965071 927587534 /nfs/dbraw/zinc/58/75/34/927587534.db2.gz XSBUBOJGKOUJNA-QLFBSQMISA-N 1 0 278.352 1.625 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CN3CCC2CC3)C1 ZINC001168963902 927587744 /nfs/dbraw/zinc/58/77/44/927587744.db2.gz QMTUTVQQCOPWPU-DRZSPHRISA-N 1 0 253.346 1.116 20 5 CDBDRO CC1(CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)OCCO1 ZINC001168965956 927589834 /nfs/dbraw/zinc/58/98/34/927589834.db2.gz FDOVNSDQKWVTLQ-WDEREUQCSA-N 1 0 258.318 1.175 20 5 CDBDRO CCOC(=O)[C@H](C)C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168988449 927627448 /nfs/dbraw/zinc/62/74/48/927627448.db2.gz SKOGLCJXMXLKCP-VWYCJHECSA-N 1 0 258.318 1.221 20 5 CDBDRO CCCCN(C)CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968455 927591816 /nfs/dbraw/zinc/59/18/16/927591816.db2.gz ZFOZCPISLYGHMI-QWHCGFSZSA-N 1 0 257.378 1.753 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CN(c3ccccn3)C2)C1 ZINC001168994568 927600691 /nfs/dbraw/zinc/60/06/91/927600691.db2.gz PXAXKPYTJSLHDV-NEPJUHHUSA-N 1 0 276.340 1.305 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(C3CCC3)C2)C1 ZINC001168995245 927602851 /nfs/dbraw/zinc/60/28/51/927602851.db2.gz SASKYKISOBRFFH-UPJWGTAASA-N 1 0 267.373 1.648 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc3ccccn3n2)C1 ZINC001169001650 927606509 /nfs/dbraw/zinc/60/65/09/927606509.db2.gz HDZUWJXBLDDONW-NWDGAFQWSA-N 1 0 274.324 1.869 20 5 CDBDRO Cc1ncc2n1CCN([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169010239 927614769 /nfs/dbraw/zinc/61/47/69/927614769.db2.gz BRMAYLZVDWKPBD-NWDGAFQWSA-N 1 0 264.329 1.453 20 5 CDBDRO C[C@]1(CO)CC(F)(F)CN1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169010266 927615178 /nfs/dbraw/zinc/61/51/78/927615178.db2.gz BZYZDPHCOMTLPU-GARJFASQSA-N 1 0 278.299 1.524 20 5 CDBDRO C[N@H+](Cc1nnc2ccccn21)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011837 927616216 /nfs/dbraw/zinc/61/62/16/927616216.db2.gz MRGSOZWMIOOUFA-RYUDHWBXSA-N 1 0 289.339 1.607 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@](O)(CF)CC2)C1 ZINC001169011279 927617901 /nfs/dbraw/zinc/61/79/01/927617901.db2.gz JDXHNNDRLNPRTD-AGIUHOORSA-N 1 0 274.336 1.618 20 5 CDBDRO CN(C)C[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037699 927647615 /nfs/dbraw/zinc/64/76/15/927647615.db2.gz SWITWOLAJCSDHV-XQQFMLRXSA-N 1 0 255.362 1.458 20 5 CDBDRO CC1(C)C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169036731 927648297 /nfs/dbraw/zinc/64/82/97/927648297.db2.gz PVAUHXTYDALJKX-QWRGUYRKSA-N 1 0 254.330 1.733 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CC(c3cccnc3)C2)C1 ZINC001169040141 927653445 /nfs/dbraw/zinc/65/34/45/927653445.db2.gz YFPADRQLOGUODS-SMDDNHRTSA-N 1 0 261.325 1.926 20 5 CDBDRO Cn1cnnc1C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169039808 927653632 /nfs/dbraw/zinc/65/36/32/927653632.db2.gz UEAKMABIWHZTJW-AAEUAGOBSA-N 1 0 293.371 1.440 20 5 CDBDRO CCO[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H]2CCCO[C@H]12 ZINC001169018987 927659806 /nfs/dbraw/zinc/65/98/06/927659806.db2.gz FXPSPRKGOYIIRF-JARUQAPTSA-N 1 0 298.383 1.700 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1-n1ncc2c1cccc2C[NH3+] ZINC001169191969 927803624 /nfs/dbraw/zinc/80/36/24/927803624.db2.gz LFMIJMKYIBDMBX-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1-n1ccc([C@H](C)[NH3+])n1 ZINC001169228005 927826801 /nfs/dbraw/zinc/82/68/01/927826801.db2.gz KCMDTMYNRXRLKT-ZETCQYMHSA-N 1 0 263.257 1.204 20 5 CDBDRO [NH3+]Cc1cnnn1-c1cc([N+](=O)[O-])ccc1Cl ZINC001169310241 927946113 /nfs/dbraw/zinc/94/61/13/927946113.db2.gz RNHRGPKDXKALPA-UHFFFAOYSA-N 1 0 253.649 1.288 20 5 CDBDRO C[NH2+]C[C@H](C)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000854232537 928174255 /nfs/dbraw/zinc/17/42/55/928174255.db2.gz SEUAIUDDIVUJIQ-IUCAKERBSA-N 1 0 252.318 1.436 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1-n1ccc(C[NH3+])c1 ZINC001169725185 928344295 /nfs/dbraw/zinc/34/42/95/928344295.db2.gz ARIMXZFABFVLQD-UHFFFAOYSA-N 1 0 275.264 1.631 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1nc2ccccc2cc1[N+](=O)[O-] ZINC001156850556 929013160 /nfs/dbraw/zinc/01/31/60/929013160.db2.gz LQYUUSWIUBHVLA-UHFFFAOYSA-N 1 0 295.302 1.872 20 5 CDBDRO CC/C=C\CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001112835660 929479156 /nfs/dbraw/zinc/47/91/56/929479156.db2.gz IJZMYTQSEANUOG-FGTRRKKMSA-N 1 0 281.356 1.152 20 5 CDBDRO CCOc1cc(NC(=O)NCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000888833192 929741457 /nfs/dbraw/zinc/74/14/57/929741457.db2.gz YDKDGZSEDRBALQ-UHFFFAOYSA-N 1 0 296.327 1.677 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(N[C@@H]3C[NH2+]C[C@@H]3CO)ccc2c1 ZINC001170772979 929913185 /nfs/dbraw/zinc/91/31/85/929913185.db2.gz KJXKMKKLCDKZPD-ZWNOBZJWSA-N 1 0 288.307 1.135 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H]2C[NH2+]C[C@H]2CO)c2ccncc21 ZINC001170782994 929987603 /nfs/dbraw/zinc/98/76/03/929987603.db2.gz WXKKXFZBINYJBB-TVQRCGJNSA-N 1 0 288.307 1.135 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC001170865041 930515950 /nfs/dbraw/zinc/51/59/50/930515950.db2.gz XTGALEHRCCUFPF-LBPRGKRZSA-N 1 0 269.301 1.381 20 5 CDBDRO CC(C)[C@@H](CO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134758251 930577311 /nfs/dbraw/zinc/57/73/11/930577311.db2.gz PQTJTVGHCGBDFK-CHWSQXEVSA-N 1 0 268.313 1.235 20 5 CDBDRO CO[C@H](C[NH3+])Cc1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000822646228 931185878 /nfs/dbraw/zinc/18/58/78/931185878.db2.gz BPGADGVESZOUPI-JTQLQIEISA-N 1 0 292.295 1.085 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1cc2ccc(C[NH3+])cc2n1 ZINC001160140008 931193522 /nfs/dbraw/zinc/19/35/22/931193522.db2.gz FGSXDVDIJFGFOW-UHFFFAOYSA-N 1 0 299.290 1.334 20 5 CDBDRO Nc1ccc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000825188325 931495944 /nfs/dbraw/zinc/49/59/44/931495944.db2.gz JAWCEPCICYODSF-WCBMZHEXSA-N 1 0 278.312 1.034 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@](C)([NH3+])C1 ZINC001246532611 931624449 /nfs/dbraw/zinc/62/44/49/931624449.db2.gz XCGTVIZSQZBENR-RISCZKNCSA-N 1 0 263.341 1.949 20 5 CDBDRO CCOC(=O)c1ccc(NCC(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC001171192275 931857445 /nfs/dbraw/zinc/85/74/45/931857445.db2.gz AJLBVACOYCSRJI-UHFFFAOYSA-N 1 0 281.312 1.921 20 5 CDBDRO COc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC001154984039 937616018 /nfs/dbraw/zinc/61/60/18/937616018.db2.gz DHTBNMIQXGVFKL-BDAKNGLRSA-N 1 0 266.301 1.680 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cc(NC[C@@H]2C[C@H](F)C[NH2+]2)n1 ZINC001155033247 937623724 /nfs/dbraw/zinc/62/37/24/937623724.db2.gz FBBFEBNSBUODKI-YUMQZZPRSA-N 1 0 274.683 1.755 20 5 CDBDRO [NH3+]Cc1ccnn1-c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001155124679 937638239 /nfs/dbraw/zinc/63/82/39/937638239.db2.gz CRJACXKKAXIAHQ-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001155188048 937646275 /nfs/dbraw/zinc/64/62/75/937646275.db2.gz NKDGHSHQJFPOMA-RNFRBKRXSA-N 1 0 272.692 1.044 20 5 CDBDRO C[N@H+](CCCOCc1ccccc1)CC[N+](=O)[O-] ZINC000930317467 933356573 /nfs/dbraw/zinc/35/65/73/933356573.db2.gz RNZIKZBKHZINKH-UHFFFAOYSA-N 1 0 252.314 1.802 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)[N+](=O)[O-])n2C)C[C@@H]1C ZINC001121298554 937866381 /nfs/dbraw/zinc/86/63/81/937866381.db2.gz ZIAUBABBGJJHMC-DCAQKATOSA-N 1 0 296.375 1.072 20 5 CDBDRO O=C(NC[C@@H]1CCCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001122391281 937928531 /nfs/dbraw/zinc/92/85/31/937928531.db2.gz IHITYRGBLPEVDZ-LBPRGKRZSA-N 1 0 277.324 1.857 20 5 CDBDRO C[C@@H]1CN(c2cc(Cl)ncc2[N+](=O)[O-])CC[NH2+]1 ZINC001156689142 938404322 /nfs/dbraw/zinc/40/43/22/938404322.db2.gz NHAIXFBUDPCJCR-SSDOTTSWSA-N 1 0 256.693 1.441 20 5 CDBDRO [NH3+]Cc1cccn1-c1ncnc2cccc([N+](=O)[O-])c21 ZINC001156730589 938411482 /nfs/dbraw/zinc/41/14/82/938411482.db2.gz OCVMLRCYKJRZLI-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N(C)[C@@]1(C)CCC[NH2+]C1 ZINC001156956014 938438309 /nfs/dbraw/zinc/43/83/09/938438309.db2.gz LYUPPATVFJMTGO-ZDUSSCGKSA-N 1 0 264.329 1.877 20 5 CDBDRO Cc1cnc(N(C)[C@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001156956859 938438870 /nfs/dbraw/zinc/43/88/70/938438870.db2.gz QSMWLNDCOVCMTP-CYBMUJFWSA-N 1 0 264.329 1.877 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N[C@H]3C[NH2+]CC[C@H]3F)c21 ZINC001157451744 938494178 /nfs/dbraw/zinc/49/41/78/938494178.db2.gz LLTVTCDKGSRXON-SCZZXKLOSA-N 1 0 291.286 1.650 20 5 CDBDRO NC(=[NH2+])c1nccn1-c1nc2ccccc2cc1[N+](=O)[O-] ZINC001157627551 938523146 /nfs/dbraw/zinc/52/31/46/938523146.db2.gz WHVTZEBRJCXPNV-UHFFFAOYSA-N 1 0 282.263 1.613 20 5 CDBDRO C[C@@H]1[C@@H]([NH3+])CCCN1c1nccc(Cl)c1[N+](=O)[O-] ZINC001157734349 938538105 /nfs/dbraw/zinc/53/81/05/938538105.db2.gz VUHWFIMACGGDRA-APPZFPTMSA-N 1 0 270.720 1.959 20 5 CDBDRO CCOc1nc(N2CCC[C@@H]([NH3+])[C@H]2C)ccc1[N+](=O)[O-] ZINC001157745579 938539405 /nfs/dbraw/zinc/53/94/05/938539405.db2.gz NZLJSZLOZZALAS-NXEZZACHSA-N 1 0 280.328 1.705 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1nc(Cl)c(C)cc1[N+](=O)[O-] ZINC001158129050 938586325 /nfs/dbraw/zinc/58/63/25/938586325.db2.gz LXFTYNLVYFUFMU-UHFFFAOYSA-N 1 0 296.718 1.342 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3CC[C@H]3C2)n1 ZINC001158432367 938624508 /nfs/dbraw/zinc/62/45/08/938624508.db2.gz JZPNTQLTWKTDJT-NSHDSACASA-N 1 0 262.313 1.501 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[NH2+]C2(CC2)C1 ZINC001158933363 938680445 /nfs/dbraw/zinc/68/04/45/938680445.db2.gz MUDNVZBABDWNHO-UHFFFAOYSA-N 1 0 268.704 1.585 20 5 CDBDRO CCOc1nc(NCC2C[NH+](C)C2)ccc1[N+](=O)[O-] ZINC001159218931 938713551 /nfs/dbraw/zinc/71/35/51/938713551.db2.gz FDZPAVLFJOXCQI-UHFFFAOYSA-N 1 0 266.301 1.362 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001159744487 938749260 /nfs/dbraw/zinc/74/92/60/938749260.db2.gz XDJKDDJNBVGJRU-ZDUSSCGKSA-N 1 0 276.296 1.612 20 5 CDBDRO COc1cc(C)nc(NC[C@@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC001160148700 938771580 /nfs/dbraw/zinc/77/15/80/938771580.db2.gz VJFJIHKMRUIEHS-JTQLQIEISA-N 1 0 280.328 1.861 20 5 CDBDRO Cc1cnc(N[C@@]2(C[NH3+])CN3CCC2CC3)c([N+](=O)[O-])c1 ZINC001160507804 938791744 /nfs/dbraw/zinc/79/17/44/938791744.db2.gz BBYVTJLEEXNKKY-AWEZNQCLSA-N 1 0 291.355 1.133 20 5 CDBDRO O=[N+]([O-])c1ccnc(NC2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC001161464503 938904941 /nfs/dbraw/zinc/90/49/41/938904941.db2.gz YLHUIKJEBOUFRF-ZDUSSCGKSA-N 1 0 291.355 1.228 20 5 CDBDRO C[N@@H+]1CCC[C@](C)(Nc2cc([N+](=O)[O-])ccn2)C1 ZINC001162331488 939026171 /nfs/dbraw/zinc/02/61/71/939026171.db2.gz QVBWRRFXPXVLJY-LBPRGKRZSA-N 1 0 250.302 1.886 20 5 CDBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001162455323 939058565 /nfs/dbraw/zinc/05/85/65/939058565.db2.gz RRKDCNQACZOUDF-UWVGGRQHSA-N 1 0 298.318 1.415 20 5 CDBDRO CCOc1cc(-n2nccc2C[NH3+])ccc1[N+](=O)[O-] ZINC001162596969 939099358 /nfs/dbraw/zinc/09/93/58/939099358.db2.gz HQXWYGSFIOJWCO-UHFFFAOYSA-N 1 0 262.269 1.638 20 5 CDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1nn(C)cc1[N+](=O)[O-] ZINC001162631385 939106061 /nfs/dbraw/zinc/10/60/61/939106061.db2.gz GCODBBFQNCWSEA-NSHDSACASA-N 1 0 281.360 1.639 20 5 CDBDRO COc1cc(C)nc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)c1[N+](=O)[O-] ZINC001162794792 939142457 /nfs/dbraw/zinc/14/24/57/939142457.db2.gz RSOGMTWQHDLJNS-HBNTYKKESA-N 1 0 290.323 1.493 20 5 CDBDRO O=[N+]([O-])c1cccnc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163167300 939218448 /nfs/dbraw/zinc/21/84/48/939218448.db2.gz OHTIQMWSGCTFGL-FOGDFJRCSA-N 1 0 278.312 1.026 20 5 CDBDRO Cc1cnc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC001163321169 939246372 /nfs/dbraw/zinc/24/63/72/939246372.db2.gz BGXWTLAFYZURER-FZMZJTMJSA-N 1 0 292.339 1.621 20 5 CDBDRO C[NH2+]CCN(C)c1nc(C)cc(Cl)c1[N+](=O)[O-] ZINC001163718786 939313724 /nfs/dbraw/zinc/31/37/24/939313724.db2.gz GRESWPBHAAFHHA-UHFFFAOYSA-N 1 0 258.709 1.607 20 5 CDBDRO Cc1cnc(N2C[C@@H](C)CC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001164062561 939403202 /nfs/dbraw/zinc/40/32/02/939403202.db2.gz MFDLSGOIANCAII-ONGXEEELSA-N 1 0 264.329 1.862 20 5 CDBDRO Cc1cc(N(CCC[NH3+])C(C)C)ncc1[N+](=O)[O-] ZINC001164123054 939413695 /nfs/dbraw/zinc/41/36/95/939413695.db2.gz XSJMWZBZQHMTHD-UHFFFAOYSA-N 1 0 252.318 1.862 20 5 CDBDRO C[C@@H]1CC[C@@H](C[NH3+])CN1c1nc(Cl)ncc1[N+](=O)[O-] ZINC001164456889 939474774 /nfs/dbraw/zinc/47/47/74/939474774.db2.gz UUDMFMSVHJRKIW-SFYZADRCSA-N 1 0 285.735 1.602 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3cc(Cl)ncc3[N+](=O)[O-])C[C@H]2C1 ZINC001165149405 939519281 /nfs/dbraw/zinc/51/92/81/939519281.db2.gz PFDLFPPBWOPJCR-DTORHVGOSA-N 1 0 282.731 1.641 20 5 CDBDRO COc1cc(C)nc(N2CCC[C@H]3[NH2+]C[C@H]32)c1[N+](=O)[O-] ZINC001165393810 939557920 /nfs/dbraw/zinc/55/79/20/939557920.db2.gz UPSAOKPOYOFLQH-NXEZZACHSA-N 1 0 278.312 1.247 20 5 CDBDRO C[C@@H]1CCCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)[C@H]1C ZINC001166613646 939619693 /nfs/dbraw/zinc/61/96/93/939619693.db2.gz GTMBTPQFOSNOQO-ZJUUUORDSA-N 1 0 291.355 1.696 20 5 CDBDRO O=[N+]([O-])c1cccc(N2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC001166900846 939647516 /nfs/dbraw/zinc/64/75/16/939647516.db2.gz UJTJWYKEKPZSEK-GFCCVEGCSA-N 1 0 276.340 1.958 20 5 CDBDRO Cc1cc(N2C[C@@H]([NH3+])[C@@H](F)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001166928864 939651163 /nfs/dbraw/zinc/65/11/63/939651163.db2.gz VCLNJROWGHXHCL-NWDGAFQWSA-N 1 0 290.298 1.937 20 5 CDBDRO Cc1c(C)c(N(C)C[C@@H]2CC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001166955595 939658926 /nfs/dbraw/zinc/65/89/26/939658926.db2.gz BOHDVMFZXWSUMN-LLVKDONJSA-N 1 0 264.329 1.652 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C)OC[C@@H]1CCC[NH2+]C1 ZINC001217872844 941025278 /nfs/dbraw/zinc/02/52/78/941025278.db2.gz VRUAMJRPQSQNEF-CMPLNLGQSA-N 1 0 282.344 1.504 20 5 CDBDRO CCN1CC(OCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC001223103963 941658417 /nfs/dbraw/zinc/65/84/17/941658417.db2.gz IZLZUZWGGAPJPR-UHFFFAOYSA-N 1 0 266.297 1.824 20 5 CDBDRO CCOc1ccccc1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001223899658 941706090 /nfs/dbraw/zinc/70/60/90/941706090.db2.gz ZCPQRDFKVFFLRN-CQSZACIVSA-N 1 0 296.387 1.586 20 5 CDBDRO CC(=O)N1CCC[C@@H](CO[C@H](C)C[N+](C)(C)C)C1 ZINC001225171913 941827702 /nfs/dbraw/zinc/82/77/02/941827702.db2.gz AUJFUAPIJGFLCS-TZMCWYRMSA-N 1 0 257.398 1.356 20 5 CDBDRO C[C@@H](C[NH+](C)C)Oc1c([N+](=O)[O-])cc(F)cc1[N+](=O)[O-] ZINC001225889653 941925830 /nfs/dbraw/zinc/92/58/30/941925830.db2.gz RMABIMDIEKHKRZ-ZETCQYMHSA-N 1 0 287.247 1.971 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC001226129495 941955112 /nfs/dbraw/zinc/95/51/12/941955112.db2.gz DJEMKNGSINWZJR-MRVPVSSYSA-N 1 0 257.677 1.726 20 5 CDBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ncc([N+](=O)[O-])cn1 ZINC001226735497 942060048 /nfs/dbraw/zinc/06/00/48/942060048.db2.gz SIWQMKMZLVDKQK-IAZYJMLFSA-N 1 0 278.312 1.494 20 5 CDBDRO CCOC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)nn1 ZINC001227132795 942138219 /nfs/dbraw/zinc/13/82/19/942138219.db2.gz IJKIHEBEIGDVGU-JTQLQIEISA-N 1 0 268.337 1.127 20 5 CDBDRO COC(=O)c1ccc(O[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001227294356 942164303 /nfs/dbraw/zinc/16/43/03/942164303.db2.gz BYBCZIYQHTWBOV-SNVBAGLBSA-N 1 0 280.280 1.464 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cn2nc(Cl)ccc2n1 ZINC001228840879 942383473 /nfs/dbraw/zinc/38/34/73/942383473.db2.gz WDRHDRIQMDJNRU-VIFPVBQESA-N 1 0 269.756 1.856 20 5 CDBDRO CC(=O)Nc1ccc(O[C@@H](C)C[N+](C)(C)C)cn1 ZINC001229103496 942419823 /nfs/dbraw/zinc/41/98/23/942419823.db2.gz XSRPOEOLDGCSTL-JTQLQIEISA-O 1 0 252.338 1.514 20 5 CDBDRO Cc1cc(O)c(C)c(C)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001229771008 942528214 /nfs/dbraw/zinc/52/82/14/942528214.db2.gz VKRDERXFUPBWQM-CYBMUJFWSA-O 1 0 296.387 1.680 20 5 CDBDRO COC(=O)C(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001234446429 943840928 /nfs/dbraw/zinc/84/09/28/943840928.db2.gz XXQFFXKXSBOSSH-LLVKDONJSA-N 1 0 280.344 1.516 20 5 CDBDRO C[C@@H](O)[C@H](C)[NH2+]CCNc1ccccc1[N+](=O)[O-] ZINC001262561818 946709984 /nfs/dbraw/zinc/70/99/84/946709984.db2.gz HPEIHQFLEHHSEV-VHSXEESVSA-N 1 0 253.302 1.366 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCn1cncn1 ZINC001254543614 947517737 /nfs/dbraw/zinc/51/77/37/947517737.db2.gz FMCJEMIFIXSWGX-LBPRGKRZSA-N 1 0 289.339 1.797 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(CO)C1 ZINC001254561286 947526270 /nfs/dbraw/zinc/52/62/70/947526270.db2.gz FTCLPAHRDIJLGF-SNVBAGLBSA-N 1 0 250.298 1.450 20 5 CDBDRO C[C@H](CN(C)C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573006 947530705 /nfs/dbraw/zinc/53/07/05/947530705.db2.gz VFMKPIHXRLOTND-MFKMUULPSA-N 1 0 263.341 1.602 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCC1COC1)C2 ZINC001254577230 947535739 /nfs/dbraw/zinc/53/57/39/947535739.db2.gz DLZUKRPURMBLPK-CYBMUJFWSA-N 1 0 262.309 1.688 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCN1CCC1)C2 ZINC001254580119 947537438 /nfs/dbraw/zinc/53/74/38/947537438.db2.gz CBZUFAQKRJPQGT-CYBMUJFWSA-N 1 0 261.325 1.357 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1(CO)CCC1)C2 ZINC001254582399 947539499 /nfs/dbraw/zinc/53/94/99/947539499.db2.gz TUTRSLXVNXYIDV-GFCCVEGCSA-N 1 0 262.309 1.567 20 5 CDBDRO Cc1ncn([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1CC[NH3+] ZINC001254584333 947540472 /nfs/dbraw/zinc/54/04/72/947540472.db2.gz ROUVAXMEAZPDGQ-AWEZNQCLSA-N 1 0 286.335 1.941 20 5 CDBDRO Cc1ncncc1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254590387 947543455 /nfs/dbraw/zinc/54/34/55/947543455.db2.gz WOWKEROKALDVLY-AWEZNQCLSA-N 1 0 284.319 1.950 20 5 CDBDRO O=C1CCC[C@@H](C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)N1 ZINC001254597932 947546488 /nfs/dbraw/zinc/54/64/88/947546488.db2.gz JLWZIUMHOHYXTC-STQMWFEESA-N 1 0 289.335 1.320 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1C[C@H]3C[C@@H](C1)O3)C2 ZINC001254603990 947554184 /nfs/dbraw/zinc/55/41/84/947554184.db2.gz ROAWDMZUERONPB-MELADBBJSA-N 1 0 260.293 1.535 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H](CC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000723691408 947778590 /nfs/dbraw/zinc/77/85/90/947778590.db2.gz OSDJQZHGOCUBNT-LLVKDONJSA-N 1 0 277.324 1.714 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CC12C[NH2+]C2 ZINC001246447268 948178070 /nfs/dbraw/zinc/17/80/70/948178070.db2.gz VCWAONYTDOFXNF-MFKMUULPSA-N 1 0 261.325 1.477 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(C)(C[NH3+])C1 ZINC001246588168 948322289 /nfs/dbraw/zinc/32/22/89/948322289.db2.gz KMBQGSJKLLJPDA-LLVKDONJSA-N 1 0 263.341 1.806 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001324429564 953384923 /nfs/dbraw/zinc/38/49/23/953384923.db2.gz VLNFICOUMFOYAN-YOGCLGLASA-N 1 0 276.340 1.757 20 5 CDBDRO O=[N+]([O-])c1ccc(OC[C@@H]2CCC[NH2+]C2)cc1CO ZINC001326017746 954184930 /nfs/dbraw/zinc/18/49/30/954184930.db2.gz IKXFIYXUKWUQHK-SNVBAGLBSA-N 1 0 266.297 1.466 20 5 CDBDRO [NH3+][C@@H](CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001326339834 954332258 /nfs/dbraw/zinc/33/22/58/954332258.db2.gz FFWJRLGMHDWVEW-ZDUSSCGKSA-N 1 0 275.308 1.564 20 5 CDBDRO CNC(=O)CCCN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326757930 954529814 /nfs/dbraw/zinc/52/98/14/954529814.db2.gz TWUPCBRYDYHYJZ-UHFFFAOYSA-N 1 0 263.297 1.437 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC001327087680 954697921 /nfs/dbraw/zinc/69/79/21/954697921.db2.gz RLSQYSWZGXZUBW-JTQLQIEISA-N 1 0 280.328 1.121 20 5 CDBDRO CC(C)C[NH2+]Cc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC001328413987 955289754 /nfs/dbraw/zinc/28/97/54/955289754.db2.gz YDRNVKZPICCILJ-UHFFFAOYSA-N 1 0 270.333 1.803 20 5 CDBDRO CC[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C ZINC001307701972 956431179 /nfs/dbraw/zinc/43/11/79/956431179.db2.gz FZTXDPCUULUDKW-NEPJUHHUSA-N 1 0 279.340 1.877 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331455419 957072927 /nfs/dbraw/zinc/07/29/27/957072927.db2.gz JXRIGUIJRGXSBI-LBPRGKRZSA-N 1 0 290.323 1.372 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CCn1ncc([N+](=O)[O-])c1N ZINC001334797135 959370859 /nfs/dbraw/zinc/37/08/59/959370859.db2.gz OVQQEBQTRBXMKT-SECBINFHSA-N 1 0 253.306 1.248 20 5 CDBDRO CCN1CCC[C@@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335338481 959724578 /nfs/dbraw/zinc/72/45/78/959724578.db2.gz SSVGQGKHSQEOHD-CABCVRRESA-N 1 0 293.367 1.702 20 5 CDBDRO CN1CCCC[C@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335368962 959746915 /nfs/dbraw/zinc/74/69/15/959746915.db2.gz TWQCLRIBZLMTQE-GJZGRUSLSA-N 1 0 293.367 1.702 20 5 CDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@H](C)[NH2+]1 ZINC001336410270 960337496 /nfs/dbraw/zinc/33/74/96/960337496.db2.gz FJBKYTAPZSTUOM-OCAPTIKFSA-N 1 0 268.292 1.503 20 5 CDBDRO O=[N+]([O-])c1c(NCC[NH+]2CC=CC2)nc2ccccn21 ZINC001323190770 960517386 /nfs/dbraw/zinc/51/73/86/960517386.db2.gz VMHVDMXUBBZAGX-UHFFFAOYSA-N 1 0 273.296 1.526 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001341978247 963599875 /nfs/dbraw/zinc/59/98/75/963599875.db2.gz VJVAWMWPTJMDDQ-UHFFFAOYSA-N 1 0 289.335 1.903 20 5 CDBDRO Cc1cc(NC(=O)[C@@H](C)[C@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC001342136090 963649227 /nfs/dbraw/zinc/64/92/27/963649227.db2.gz SXXMMOSYGQKEEK-IUCAKERBSA-N 1 0 251.286 1.825 20 5 CDBDRO C[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001342519877 963757617 /nfs/dbraw/zinc/75/76/17/963757617.db2.gz VUFRAOKHICFTDG-CMPLNLGQSA-N 1 0 293.323 1.151 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001345141455 964596297 /nfs/dbraw/zinc/59/62/97/964596297.db2.gz MLWIHOWYSPPPQR-GHMZBOCLSA-N 1 0 294.355 1.953 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001348560406 966059324 /nfs/dbraw/zinc/05/93/24/966059324.db2.gz FLPYZUKZTIJTGP-VIFPVBQESA-N 1 0 278.312 1.215 20 5 CDBDRO C[NH2+]Cc1nc(-c2cc(C)c([N+](=O)[O-])cc2C)no1 ZINC001349332505 966321204 /nfs/dbraw/zinc/32/12/04/966321204.db2.gz YTSXKHDMNUHCAW-UHFFFAOYSA-N 1 0 262.269 1.981 20 5 CDBDRO [NH3+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001354523945 968758115 /nfs/dbraw/zinc/75/81/15/968758115.db2.gz RRVRSYSWAJVVPJ-DTCNJJKHSA-N 1 0 289.335 1.552 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001354829800 968924483 /nfs/dbraw/zinc/92/44/83/968924483.db2.gz MRYDCSSXFQMGTM-CABZTGNLSA-N 1 0 277.324 1.770 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001515671054 969911942 /nfs/dbraw/zinc/91/19/42/969911942.db2.gz XGSGXUBRBDNKKZ-JTQLQIEISA-N 1 0 280.328 1.053 20 5 CDBDRO CC[NH2+][C@H](C)C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001515788293 969917876 /nfs/dbraw/zinc/91/78/76/969917876.db2.gz GUENWUXUQKMZFC-SECBINFHSA-N 1 0 251.286 1.840 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)CC[NH2+]1 ZINC001576622638 1171470329 /nfs/dbraw/zinc/47/03/29/1171470329.db2.gz FZDLVCGVRCYJJK-BDAKNGLRSA-N 1 0 278.312 1.047 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC001578263566 1171855533 /nfs/dbraw/zinc/85/55/33/1171855533.db2.gz MEJCKXLQRXMXGF-CQSZACIVSA-N 1 0 293.323 1.474 20 5 CDBDRO C[NH2+]CC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001578676944 1171977911 /nfs/dbraw/zinc/97/79/11/1171977911.db2.gz SDXCYVDNQICGNS-NSHDSACASA-N 1 0 292.339 1.594 20 5 CDBDRO C[NH+](C)C1CN(c2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601135929 342476368 /nfs/dbraw/zinc/47/63/68/342476368.db2.gz MEHUZEPCYREYCA-UHFFFAOYSA-N 1 0 272.308 1.893 20 5 CDBDRO C[N@@H+]1C[C@@H]2CCCN(c3ncc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000601179065 342488014 /nfs/dbraw/zinc/48/80/14/342488014.db2.gz KKNJBROBXVWFMH-JOYOIKCWSA-N 1 0 280.303 1.659 20 5 CDBDRO COc1ccc(OCCN2C[C@@H]3C[C@H]2C[NH2+]3)c([N+](=O)[O-])c1 ZINC000601326389 342553809 /nfs/dbraw/zinc/55/38/09/342553809.db2.gz CGQXZLYKMIBTEV-QWRGUYRKSA-N 1 0 293.323 1.028 20 5 CDBDRO C[NH2+]CCCn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC000564930685 365536605 /nfs/dbraw/zinc/53/66/05/365536605.db2.gz WZNPPJCWCYVEMF-UHFFFAOYSA-N 1 0 261.281 1.519 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000601330037 342554717 /nfs/dbraw/zinc/55/47/17/342554717.db2.gz PHCPGRNLKCMZBK-GHMZBOCLSA-N 1 0 265.313 1.395 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000601330039 342554769 /nfs/dbraw/zinc/55/47/69/342554769.db2.gz PHCPGRNLKCMZBK-QWRGUYRKSA-N 1 0 265.313 1.395 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(OCC2CC[NH2+]CC2)n1 ZINC000564926813 365547256 /nfs/dbraw/zinc/54/72/56/365547256.db2.gz NTNKWPRHXMNLKA-UHFFFAOYSA-N 1 0 265.313 1.985 20 5 CDBDRO COc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000609200977 342096178 /nfs/dbraw/zinc/09/61/78/342096178.db2.gz PMMMKFZYWUIKIS-LLVKDONJSA-N 1 0 293.323 1.171 20 5 CDBDRO Cc1c(NC(=O)NC[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000591272247 342623786 /nfs/dbraw/zinc/62/37/86/342623786.db2.gz OJZWBPCBXWWFKW-SSDOTTSWSA-N 1 0 252.274 1.372 20 5 CDBDRO CCOc1ccc([C@@H](C)NC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000591581413 342638016 /nfs/dbraw/zinc/63/80/16/342638016.db2.gz VUESKBANDWHXFW-NXEZZACHSA-N 1 0 267.329 1.991 20 5 CDBDRO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])o1)N1CCOCC1 ZINC000047872660 342135036 /nfs/dbraw/zinc/13/50/36/342135036.db2.gz SRJOJCHRLSYIKD-UHFFFAOYSA-N 1 0 297.311 1.028 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[NH2+]CCC1(F)F ZINC000591672749 342641462 /nfs/dbraw/zinc/64/14/62/342641462.db2.gz IVPBZWOUTOSJIJ-JTQLQIEISA-N 1 0 285.250 1.778 20 5 CDBDRO C[C@@H](O)CCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592430575 342695405 /nfs/dbraw/zinc/69/54/05/342695405.db2.gz SFOBQUCWQDFYGD-LLVKDONJSA-N 1 0 295.339 1.674 20 5 CDBDRO O=C(NCCC1CC[NH2+]CC1)c1csc([N+](=O)[O-])c1 ZINC000593919226 342851390 /nfs/dbraw/zinc/85/13/90/342851390.db2.gz OMFGPUQMULWQDU-UHFFFAOYSA-N 1 0 283.353 1.776 20 5 CDBDRO CC(C)[C@H]1C[NH2+]CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000600714687 342242589 /nfs/dbraw/zinc/24/25/89/342242589.db2.gz OUKNLCKHNYJWRE-OAHLLOKOSA-N 1 0 293.367 1.903 20 5 CDBDRO C[NH2+]C1(CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000600825434 342251728 /nfs/dbraw/zinc/25/17/28/342251728.db2.gz HFTIRAYISOUXCD-NSHDSACASA-N 1 0 291.351 1.957 20 5 CDBDRO CC(C)Oc1nc(NC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000594543961 342915780 /nfs/dbraw/zinc/91/57/80/342915780.db2.gz QWOWOXWFXOOPKP-SNVBAGLBSA-N 1 0 282.344 1.561 20 5 CDBDRO C[NH2+][C@@H](C)c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594652871 342933873 /nfs/dbraw/zinc/93/38/73/342933873.db2.gz PXPOGLJKOMAXRB-ZETCQYMHSA-N 1 0 263.257 1.162 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(C)(C)C(N)=O ZINC000595024561 342996677 /nfs/dbraw/zinc/99/66/77/342996677.db2.gz AKPRVFLAQGRHHM-SECBINFHSA-N 1 0 295.339 1.766 20 5 CDBDRO CCc1ccc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000154129356 529600772 /nfs/dbraw/zinc/60/07/72/529600772.db2.gz GVWRDYDMZCWKMT-PHIMTYICSA-N 1 0 291.351 1.980 20 5 CDBDRO Cc1noc(CN2CCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000595296630 343027240 /nfs/dbraw/zinc/02/72/40/343027240.db2.gz LVRYDLRRPRUALK-GFCCVEGCSA-N 1 0 294.355 1.951 20 5 CDBDRO O=C1CC2(CN1)CC[NH+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000075012234 342306590 /nfs/dbraw/zinc/30/65/90/342306590.db2.gz BVOUYYWGKWEFNI-UHFFFAOYSA-N 1 0 289.335 1.697 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000075956512 342316582 /nfs/dbraw/zinc/31/65/82/342316582.db2.gz NVKGHFGSUDOYKY-SECBINFHSA-N 1 0 266.301 1.089 20 5 CDBDRO Cc1noc(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595480907 343065137 /nfs/dbraw/zinc/06/51/37/343065137.db2.gz ASODQDUDYLFMEY-JQWIXIFHSA-N 1 0 294.355 1.950 20 5 CDBDRO CC(C)[C@@](C)([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C(N)=O ZINC000595484562 343066100 /nfs/dbraw/zinc/06/61/00/343066100.db2.gz RFUSDKXRYDZJJO-CYBMUJFWSA-N 1 0 283.303 1.724 20 5 CDBDRO CC[NH+](CC)C[C@@H]1CCN(c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000078559694 342338331 /nfs/dbraw/zinc/33/83/31/342338331.db2.gz AGUXWVVVFVQWIS-LBPRGKRZSA-N 1 0 295.387 1.805 20 5 CDBDRO C[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1CCO ZINC000595706018 343127612 /nfs/dbraw/zinc/12/76/12/343127612.db2.gz WPCLWWNECZCVKN-NWDGAFQWSA-N 1 0 282.344 1.274 20 5 CDBDRO COc1ccc(C(=O)NCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000595941041 343203749 /nfs/dbraw/zinc/20/37/49/343203749.db2.gz KQZLCXKOTJRUMQ-UHFFFAOYSA-N 1 0 293.323 1.605 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000595984622 343211424 /nfs/dbraw/zinc/21/14/24/343211424.db2.gz XEBCBJRVRYKASE-SECBINFHSA-N 1 0 251.286 1.241 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596049147 343218305 /nfs/dbraw/zinc/21/83/05/343218305.db2.gz FAMUKJTYOIRETR-VIFPVBQESA-N 1 0 266.301 1.592 20 5 CDBDRO O=c1[nH]ccc(N2CCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000596082931 343220428 /nfs/dbraw/zinc/22/04/28/343220428.db2.gz PZSMBEORSVYFKE-LLVKDONJSA-N 1 0 292.339 1.760 20 5 CDBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596097844 343235524 /nfs/dbraw/zinc/23/55/24/343235524.db2.gz HNPSMXFVTLADNS-SNVBAGLBSA-N 1 0 279.344 1.539 20 5 CDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc(N)c([N+](=O)[O-])n1 ZINC000596129446 343238153 /nfs/dbraw/zinc/23/81/53/343238153.db2.gz PZPMWWZJDJGECV-SNVBAGLBSA-N 1 0 279.344 1.350 20 5 CDBDRO Cc1c(NC(=O)N[C@]2(C)CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000596120694 343247686 /nfs/dbraw/zinc/24/76/86/343247686.db2.gz KTVPPYZDLPGOBJ-CYBMUJFWSA-N 1 0 278.312 1.777 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000596123622 343248889 /nfs/dbraw/zinc/24/88/89/343248889.db2.gz YEXXWZPJLMWFTH-ZDUSSCGKSA-N 1 0 294.311 1.477 20 5 CDBDRO C[NH+](C)C1CN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596178201 343249261 /nfs/dbraw/zinc/24/92/61/343249261.db2.gz IXAWMIHNLNAMTF-UHFFFAOYSA-N 1 0 256.693 1.393 20 5 CDBDRO C[NH+](C)CC1CN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000596247483 343286556 /nfs/dbraw/zinc/28/65/56/343286556.db2.gz PJRZINFGLRQXCI-UHFFFAOYSA-N 1 0 287.323 1.536 20 5 CDBDRO CC(C)[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CC[N@@H+]1C ZINC000596205372 343265302 /nfs/dbraw/zinc/26/53/02/343265302.db2.gz IUWWRGXWLDYBBL-NSHDSACASA-N 1 0 279.344 1.348 20 5 CDBDRO C[C@H](NC(=O)N[C@]1(C)CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000597434039 343535990 /nfs/dbraw/zinc/53/59/90/343535990.db2.gz OBFQTUQGMQMHTE-IINYFYTJSA-N 1 0 292.339 1.707 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC(C[NH+](C)C)C1 ZINC000597708335 343606228 /nfs/dbraw/zinc/60/62/28/343606228.db2.gz KAWBVANTSPJCLN-UHFFFAOYSA-N 1 0 293.323 1.237 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000598341582 343770345 /nfs/dbraw/zinc/77/03/45/343770345.db2.gz CVYSMLCTIHLFQA-SNVBAGLBSA-N 1 0 292.339 1.391 20 5 CDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000598667790 343855836 /nfs/dbraw/zinc/85/58/36/343855836.db2.gz KJGMMLHYJXVKQL-IINYFYTJSA-N 1 0 275.308 1.548 20 5 CDBDRO Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)ncc1[N+](=O)[O-] ZINC000599084530 343950825 /nfs/dbraw/zinc/95/08/25/343950825.db2.gz UBBHRMWDKBTJPR-IWIIMEHWSA-N 1 0 262.313 1.294 20 5 CDBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC000252773059 344078716 /nfs/dbraw/zinc/07/87/16/344078716.db2.gz JFMFWNFROJRSJG-MGPQQGTHSA-N 1 0 280.324 1.877 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2CO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000402056327 344158540 /nfs/dbraw/zinc/15/85/40/344158540.db2.gz RLLKDIODHXRWPV-GXSJLCMTSA-N 1 0 266.297 1.870 20 5 CDBDRO Cc1c(NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000601564439 344192509 /nfs/dbraw/zinc/19/25/09/344192509.db2.gz APRIARFTWJNUAX-PHIMTYICSA-N 1 0 290.323 1.871 20 5 CDBDRO CC[NH2+][C@@H](C)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000602437662 344416538 /nfs/dbraw/zinc/41/65/38/344416538.db2.gz ISPOASPKZONUTG-JTQLQIEISA-N 1 0 280.328 1.121 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000602492647 344450801 /nfs/dbraw/zinc/45/08/01/344450801.db2.gz NZVHVDOWQJMESS-KOLCDFICSA-N 1 0 295.314 1.933 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000602531679 344456039 /nfs/dbraw/zinc/45/60/39/344456039.db2.gz WOSQBRKOKLUKLR-AWEZNQCLSA-N 1 0 291.351 1.973 20 5 CDBDRO COCCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602503404 344456828 /nfs/dbraw/zinc/45/68/28/344456828.db2.gz ISNYVWFDDNGMCB-UHFFFAOYSA-N 1 0 265.269 1.862 20 5 CDBDRO CCN(CC[NH3+])C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000602534284 344470242 /nfs/dbraw/zinc/47/02/42/344470242.db2.gz HXHZTSVZZCEMTD-JTQLQIEISA-N 1 0 297.380 1.883 20 5 CDBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602591988 344480546 /nfs/dbraw/zinc/48/05/46/344480546.db2.gz OZHMHRSCRILXBO-PHIMTYICSA-N 1 0 295.726 1.825 20 5 CDBDRO CCNC(=O)C(C)(C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602575815 344487652 /nfs/dbraw/zinc/48/76/52/344487652.db2.gz XOZXOQNMIVFLGG-UHFFFAOYSA-N 1 0 293.367 1.889 20 5 CDBDRO CO[C@]1(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])CCOC1 ZINC000602659227 344518220 /nfs/dbraw/zinc/51/82/20/344518220.db2.gz KFFJOGDUPQBUJG-AWEZNQCLSA-N 1 0 295.339 1.165 20 5 CDBDRO CO[C@H](C)[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000536858452 282346770 /nfs/dbraw/zinc/34/67/70/282346770.db2.gz OCLSFETWNMEMHD-GHMZBOCLSA-N 1 0 268.313 1.987 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@@H]1CCCCO1 ZINC000602761869 344583481 /nfs/dbraw/zinc/58/34/81/344583481.db2.gz BMERCZWFZXULIW-LBPRGKRZSA-N 1 0 282.344 1.601 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCOC[C@@H]1C ZINC000602794426 344585837 /nfs/dbraw/zinc/58/58/37/344585837.db2.gz BAIWKNHAYHNSBN-JTQLQIEISA-N 1 0 268.317 1.211 20 5 CDBDRO COC(=O)C[C@@H]1CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602796900 344587355 /nfs/dbraw/zinc/58/73/55/344587355.db2.gz KFSRQAJYAJNOTL-NSHDSACASA-N 1 0 296.327 1.127 20 5 CDBDRO Cc1ccnc(N2CC[C@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000292415079 362470498 /nfs/dbraw/zinc/47/04/98/362470498.db2.gz WCEBZEBXWKZIQJ-AWEZNQCLSA-N 1 0 276.340 1.830 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCC[C@@H]1C ZINC000602817333 344607417 /nfs/dbraw/zinc/60/74/17/344607417.db2.gz BANKSKKWENFWOR-GXSJLCMTSA-N 1 0 252.318 1.878 20 5 CDBDRO COC[C@](C)(CO)NCc1c(F)cccc1[N+](=O)[O-] ZINC000602931118 344662188 /nfs/dbraw/zinc/66/21/88/344662188.db2.gz HBEBXYRGTBVQHQ-LBPRGKRZSA-N 1 0 272.276 1.221 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000602838268 344620104 /nfs/dbraw/zinc/62/01/04/344620104.db2.gz DFTINTRUTRLLDG-GRYCIOLGSA-N 1 0 264.329 1.878 20 5 CDBDRO CO[C@H]1C[C@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])C12CCC2 ZINC000602842404 344622140 /nfs/dbraw/zinc/62/21/40/344622140.db2.gz XOLUDPRZAFPRJA-RYUDHWBXSA-N 1 0 294.355 1.647 20 5 CDBDRO C[NH2+][C@H](C)c1cn(Cc2c(F)cc([N+](=O)[O-])cc2F)nn1 ZINC000603249598 344751701 /nfs/dbraw/zinc/75/17/01/344751701.db2.gz ZPEXFGMDRCXVQI-SSDOTTSWSA-N 1 0 297.265 1.793 20 5 CDBDRO C[NH+](C)CCc1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000603222748 344749200 /nfs/dbraw/zinc/74/92/00/344749200.db2.gz CRWWRSXFMXOFRL-UHFFFAOYSA-N 1 0 293.302 1.478 20 5 CDBDRO Cc1nccn1CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000049460842 344712179 /nfs/dbraw/zinc/71/21/79/344712179.db2.gz LZGGGDSGKASDRR-UHFFFAOYSA-N 1 0 274.280 1.530 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000314444531 344911646 /nfs/dbraw/zinc/91/16/46/344911646.db2.gz FOFNXCKUTLUWMO-HZMBPMFUSA-N 1 0 292.339 1.134 20 5 CDBDRO COc1cc(C[NH2+]C(C)(C)C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000537606906 282373388 /nfs/dbraw/zinc/37/33/88/282373388.db2.gz QQCROCWCWAMOLW-UHFFFAOYSA-N 1 0 295.339 1.560 20 5 CDBDRO COc1c(C)cnc(Cn2cccc([N+](=O)[O-])c2=O)c1C ZINC000265641736 362508335 /nfs/dbraw/zinc/50/83/35/362508335.db2.gz VWESLBPTHKCZQI-UHFFFAOYSA-N 1 0 289.291 1.825 20 5 CDBDRO COc1cccc(N2CC[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000293106313 362530875 /nfs/dbraw/zinc/53/08/75/362530875.db2.gz PXUJHOYBZJKSDA-NSHDSACASA-N 1 0 279.340 1.991 20 5 CDBDRO CN(C(=O)c1ccc2c[nH+]cn2c1)c1ccc([N+](=O)[O-])nc1 ZINC000344227141 362558295 /nfs/dbraw/zinc/55/82/95/362558295.db2.gz SZWNVXBCDGPKJC-UHFFFAOYSA-N 1 0 297.274 1.914 20 5 CDBDRO Cc1cc(C(=O)N[C@@]2(C)CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000230730738 345440446 /nfs/dbraw/zinc/44/04/46/345440446.db2.gz KPEHADZUABEBCV-ZDUSSCGKSA-N 1 0 263.297 1.385 20 5 CDBDRO CSc1ccc(C(=O)NCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000151553566 345699802 /nfs/dbraw/zinc/69/98/02/345699802.db2.gz LWRUDFRABYPGDK-UHFFFAOYSA-N 1 0 295.364 1.799 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]CC1(C)C ZINC000088138677 346011776 /nfs/dbraw/zinc/01/17/76/346011776.db2.gz CCFCLJMOAQPEDV-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000584712078 346411377 /nfs/dbraw/zinc/41/13/77/346411377.db2.gz CBFPWPGYVFURES-GHMZBOCLSA-N 1 0 294.330 1.955 20 5 CDBDRO CC[N@@H+]1CCN(c2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000611084732 346604128 /nfs/dbraw/zinc/60/41/28/346604128.db2.gz OVSNZTSNINLNPO-SNVBAGLBSA-N 1 0 250.302 1.520 20 5 CDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2CCC2)cc1 ZINC000612576173 347212396 /nfs/dbraw/zinc/21/23/96/347212396.db2.gz RXQWJIAFDVYFEB-UHFFFAOYSA-N 1 0 284.337 1.511 20 5 CDBDRO CC(=O)N1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000053456943 347740504 /nfs/dbraw/zinc/74/05/04/347740504.db2.gz WZTFSRCFTRYVCA-UHFFFAOYSA-N 1 0 277.324 1.649 20 5 CDBDRO CC[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054152537 347816285 /nfs/dbraw/zinc/81/62/85/347816285.db2.gz NBOWICKUZVWMFO-UHFFFAOYSA-N 1 0 255.343 1.794 20 5 CDBDRO COc1cc(NCCCC[NH3+])c([N+](=O)[O-])cc1F ZINC000104126470 185900198 /nfs/dbraw/zinc/90/01/98/185900198.db2.gz DXCPXHIOPBUDNH-UHFFFAOYSA-N 1 0 257.265 1.893 20 5 CDBDRO CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[NH+](C)C ZINC000045308478 348771508 /nfs/dbraw/zinc/77/15/08/348771508.db2.gz RDJVHZJFTNZWOT-JTQLQIEISA-N 1 0 282.344 1.629 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000089091275 179699120 /nfs/dbraw/zinc/69/91/20/179699120.db2.gz LUXPDHBCMOWKHS-SVTFUTLMSA-N 1 0 289.335 1.852 20 5 CDBDRO CCC(CC)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000111831289 349233129 /nfs/dbraw/zinc/23/31/29/349233129.db2.gz OBKYZKKBFXXSHV-UHFFFAOYSA-N 1 0 268.317 1.181 20 5 CDBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1csc([N+](=O)[O-])c1 ZINC000104359253 185983082 /nfs/dbraw/zinc/98/30/82/185983082.db2.gz IMGGBCZIARQOGI-VIFPVBQESA-N 1 0 283.353 1.776 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000090848264 180044441 /nfs/dbraw/zinc/04/44/41/180044441.db2.gz ZKABKKVQQPIOJF-SMDDNHRTSA-N 1 0 280.324 1.705 20 5 CDBDRO CC[C@H]([NH2+][C@@H](C)CC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000090918610 180062953 /nfs/dbraw/zinc/06/29/53/180062953.db2.gz NVUFRHTUPJAZLD-CABZTGNLSA-N 1 0 265.313 1.899 20 5 CDBDRO COc1ccc(NC(=O)N2C[C@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC001579229146 1172121040 /nfs/dbraw/zinc/12/10/40/1172121040.db2.gz RUVARQSCGUJVNC-RKDXNWHRSA-N 1 0 294.311 1.557 20 5 CDBDRO [NH3+][C@@H]1CC[C@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000091543278 180184492 /nfs/dbraw/zinc/18/44/92/180184492.db2.gz KGUDWJGWAVVEOW-NWDGAFQWSA-N 1 0 277.324 1.381 20 5 CDBDRO C[C@H](c1ccncc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000091990558 180300011 /nfs/dbraw/zinc/30/00/11/180300011.db2.gz NGODLPRNWCFWGN-LLVKDONJSA-N 1 0 275.312 1.879 20 5 CDBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](CCO)CC2)c(F)c1 ZINC000105791725 186071120 /nfs/dbraw/zinc/07/11/20/186071120.db2.gz UMSAYDONXBTIME-UHFFFAOYSA-N 1 0 297.330 1.850 20 5 CDBDRO C[C@@H](CC[NH+](C)C)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000310912169 350619194 /nfs/dbraw/zinc/61/91/94/350619194.db2.gz DFTDOSGCKVMPRZ-QMMMGPOBSA-N 1 0 253.306 1.324 20 5 CDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000109705479 186269105 /nfs/dbraw/zinc/26/91/05/186269105.db2.gz SBDHAEZIOVFABN-QMMMGPOBSA-N 1 0 255.274 1.291 20 5 CDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000454318294 252341990 /nfs/dbraw/zinc/34/19/90/252341990.db2.gz AMJDMYKWIHVJHE-SNVBAGLBSA-N 1 0 280.328 1.479 20 5 CDBDRO C[NH2+]CCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000209209838 350940873 /nfs/dbraw/zinc/94/08/73/350940873.db2.gz XIYLKPJKOAFVAR-YVMONPNESA-N 1 0 263.297 1.334 20 5 CDBDRO [NH3+]CC1(NC(=O)c2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000111831677 186461819 /nfs/dbraw/zinc/46/18/19/186461819.db2.gz WUWJHBKREAFIOL-UHFFFAOYSA-N 1 0 281.287 1.735 20 5 CDBDRO C[C@H]1CC[C@@H]([N@H+](CCO)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000351628251 366057147 /nfs/dbraw/zinc/05/71/47/366057147.db2.gz LUNCFKARVJTYDY-NWDGAFQWSA-N 1 0 282.344 1.274 20 5 CDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000122151537 187017764 /nfs/dbraw/zinc/01/77/64/187017764.db2.gz NNHDGIPKLJTIFY-LLVKDONJSA-N 1 0 254.290 1.026 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000124031213 187119383 /nfs/dbraw/zinc/11/93/83/187119383.db2.gz YPIXCIDIHSZORV-UHFFFAOYSA-N 1 0 255.249 1.025 20 5 CDBDRO COc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000136478612 363111390 /nfs/dbraw/zinc/11/13/90/363111390.db2.gz FBIYFGZYDALDQB-VIFPVBQESA-N 1 0 279.296 1.542 20 5 CDBDRO COc1ccc(C[NH2+]CCNC(=O)C2CC2)cc1[N+](=O)[O-] ZINC000133465846 187686673 /nfs/dbraw/zinc/68/66/73/187686673.db2.gz PPUKYVYZMUFOQU-UHFFFAOYSA-N 1 0 293.323 1.219 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000152309875 188008923 /nfs/dbraw/zinc/00/89/23/188008923.db2.gz KMSGEXHNUHUEEI-JTQLQIEISA-N 1 0 290.323 1.342 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000157298538 188309272 /nfs/dbraw/zinc/30/92/72/188309272.db2.gz GINAYMCBXFNNPV-JTQLQIEISA-N 1 0 292.339 1.343 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000158276975 188367024 /nfs/dbraw/zinc/36/70/24/188367024.db2.gz YLBJTBBSMNENLH-HNNXBMFYSA-N 1 0 289.335 1.729 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000295185862 199394333 /nfs/dbraw/zinc/39/43/33/199394333.db2.gz IDZCUDGFUGPZOC-LAHYYIKRSA-N 1 0 277.324 1.852 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000037029617 363315208 /nfs/dbraw/zinc/31/52/08/363315208.db2.gz CYDCUAJHXXLITJ-SNVBAGLBSA-N 1 0 263.297 1.841 20 5 CDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336813813 356272599 /nfs/dbraw/zinc/27/25/99/356272599.db2.gz VOQAPXXLWHPWSE-NWDGAFQWSA-N 1 0 268.288 1.983 20 5 CDBDRO Cc1c(CN2CCO[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000165024915 356351620 /nfs/dbraw/zinc/35/16/20/356351620.db2.gz SYUNXCATCCRXRR-LBPRGKRZSA-N 1 0 265.313 1.063 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000154029144 363485279 /nfs/dbraw/zinc/48/52/79/363485279.db2.gz FNOYSHVMWQVQTJ-QWRGUYRKSA-N 1 0 293.323 1.312 20 5 CDBDRO Cc1c(NC(=O)C[C@@]2(O)CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC001579540388 1172208840 /nfs/dbraw/zinc/20/88/40/1172208840.db2.gz TWPOFGXYALVZBN-AWEZNQCLSA-N 1 0 293.323 1.346 20 5 CDBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cn2)CCC1 ZINC000097934402 356956817 /nfs/dbraw/zinc/95/68/17/356956817.db2.gz QLUPNDKTYVFCCK-UHFFFAOYSA-N 1 0 251.290 1.281 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000083662389 357301249 /nfs/dbraw/zinc/30/12/49/357301249.db2.gz FVEZARHGPOQEOI-QWRGUYRKSA-N 1 0 281.743 1.899 20 5 CDBDRO Cc1nc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000261613708 357251905 /nfs/dbraw/zinc/25/19/05/357251905.db2.gz SWPJIPMINRXWLF-GHMZBOCLSA-N 1 0 262.313 1.486 20 5 CDBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccnc1 ZINC000181635813 357369631 /nfs/dbraw/zinc/36/96/31/357369631.db2.gz NXHQDVILODIFSZ-SNVBAGLBSA-N 1 0 261.285 1.537 20 5 CDBDRO CC1(C)CN(C(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000212701027 357313362 /nfs/dbraw/zinc/31/33/62/357313362.db2.gz DNTNCRLXUWHHTB-UHFFFAOYSA-N 1 0 263.297 1.419 20 5 CDBDRO COCC[NH2+]CCNc1cccc(OC)c1[N+](=O)[O-] ZINC000135060440 357314579 /nfs/dbraw/zinc/31/45/79/357314579.db2.gz XTQFIDAFDBJRON-UHFFFAOYSA-N 1 0 269.301 1.251 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000261864034 357337655 /nfs/dbraw/zinc/33/76/55/357337655.db2.gz RNIJZNRYNHMQMO-HTQZYQBOSA-N 1 0 296.302 1.125 20 5 CDBDRO [NH3+]C1(c2noc(-c3ccccc3[N+](=O)[O-])n2)CCC1 ZINC000261911885 357341299 /nfs/dbraw/zinc/34/12/99/357341299.db2.gz ZVPZFUCLXKQRNU-UHFFFAOYSA-N 1 0 260.253 1.983 20 5 CDBDRO Cc1cc(C(=O)NCC[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000135227013 357798116 /nfs/dbraw/zinc/79/81/16/357798116.db2.gz OCDCGGRZKVNPMX-LLVKDONJSA-N 1 0 277.324 1.633 20 5 CDBDRO C[C@H](O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000189295272 357993675 /nfs/dbraw/zinc/99/36/75/357993675.db2.gz QFGPRCDQWPWPAT-LBPRGKRZSA-N 1 0 279.340 1.093 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000286893950 358024787 /nfs/dbraw/zinc/02/47/87/358024787.db2.gz GMDCYJPLVZEGSB-ZETCQYMHSA-N 1 0 257.315 1.336 20 5 CDBDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000193611809 358308525 /nfs/dbraw/zinc/30/85/25/358308525.db2.gz UQSPCHOZSBEYAS-UFBFGSQYSA-N 1 0 297.742 1.862 20 5 CDBDRO Cc1c(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000193632144 358310252 /nfs/dbraw/zinc/31/02/52/358310252.db2.gz AYHCSWMFXMSSFU-TVQRCGJNSA-N 1 0 277.324 1.517 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000132633996 358572628 /nfs/dbraw/zinc/57/26/28/358572628.db2.gz SFPFFQMYWGONHO-SNVBAGLBSA-N 1 0 283.715 1.730 20 5 CDBDRO CCOCC[N@H+](CC)CCn1ccc([N+](=O)[O-])n1 ZINC000176236232 358749391 /nfs/dbraw/zinc/74/93/91/358749391.db2.gz FADHBWGQTDANNU-UHFFFAOYSA-N 1 0 256.306 1.150 20 5 CDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176189509 358731386 /nfs/dbraw/zinc/73/13/86/358731386.db2.gz VOHAJFNZIZZFFS-PHIMTYICSA-N 1 0 252.318 1.769 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1(O)CCCC1 ZINC000096479159 358735307 /nfs/dbraw/zinc/73/53/07/358735307.db2.gz ZURYNVGCBDAPAA-UHFFFAOYSA-N 1 0 250.298 1.990 20 5 CDBDRO C[C@]1(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000062904031 358810672 /nfs/dbraw/zinc/81/06/72/358810672.db2.gz RHQNTMNRYFBQAT-ZDUSSCGKSA-N 1 0 263.297 1.211 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000186837442 358830122 /nfs/dbraw/zinc/83/01/22/358830122.db2.gz JZNBVATYURWGEW-MWLCHTKSSA-N 1 0 263.297 1.323 20 5 CDBDRO [NH3+]C[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000087383794 359033631 /nfs/dbraw/zinc/03/36/31/359033631.db2.gz FRKRFYJXIIWLQE-JTQLQIEISA-N 1 0 267.260 1.201 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000381507014 359056129 /nfs/dbraw/zinc/05/61/29/359056129.db2.gz UFIYLWFJGJLJLX-RQJHMYQMSA-N 1 0 271.704 1.714 20 5 CDBDRO CCOc1cc(NCCOCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000231207745 359252549 /nfs/dbraw/zinc/25/25/49/359252549.db2.gz ZCZIFHLKLPKMPW-UHFFFAOYSA-N 1 0 297.355 1.984 20 5 CDBDRO C[C@@H](CC[NH+](C)C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000049558743 359362848 /nfs/dbraw/zinc/36/28/48/359362848.db2.gz OVYMDRJIWJHQKD-VIFPVBQESA-N 1 0 280.328 1.446 20 5 CDBDRO Cn1c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000339671734 359426364 /nfs/dbraw/zinc/42/63/64/359426364.db2.gz QARJZKMUYUOZNU-QWRGUYRKSA-N 1 0 292.339 1.290 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](CC3CC3)C2)c1 ZINC000339678340 359427200 /nfs/dbraw/zinc/42/72/00/359427200.db2.gz LFTYPJXDXWVDKZ-JSGCOSHPSA-N 1 0 294.355 1.274 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000050246403 359407791 /nfs/dbraw/zinc/40/77/91/359407791.db2.gz ISDSKQCFFTXONG-VIFPVBQESA-N 1 0 264.285 1.407 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000050246099 359407795 /nfs/dbraw/zinc/40/77/95/359407795.db2.gz QVNCWFLWONEEDP-JTQLQIEISA-N 1 0 263.297 1.324 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000571443527 359573160 /nfs/dbraw/zinc/57/31/60/359573160.db2.gz FVMZEEXZCJUNEC-IUCAKERBSA-N 1 0 281.312 1.459 20 5 CDBDRO Cc1nc(NC[C@H]2CC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC000297316283 200145535 /nfs/dbraw/zinc/14/55/35/200145535.db2.gz ZJPGKMDEOCQAJT-SECBINFHSA-N 1 0 251.290 1.057 20 5 CDBDRO COCC(C)(C)[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173640037 237350236 /nfs/dbraw/zinc/35/02/36/237350236.db2.gz TZURUCCDIFSUNH-UHFFFAOYSA-N 1 0 298.339 1.997 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(C)(CO)CO ZINC000270299161 360121331 /nfs/dbraw/zinc/12/13/31/360121331.db2.gz AXLMYNLWYXSNPQ-NSHDSACASA-N 1 0 282.340 1.579 20 5 CDBDRO C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC2(CCC2)O1 ZINC000514860462 360238643 /nfs/dbraw/zinc/23/86/43/360238643.db2.gz GWHGSMRZVZOCFT-LLVKDONJSA-N 1 0 280.328 1.435 20 5 CDBDRO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[N@H+](C)C1CC1 ZINC000176437305 360301505 /nfs/dbraw/zinc/30/15/05/360301505.db2.gz FYVYLYIKULFFKU-SECBINFHSA-N 1 0 292.339 1.390 20 5 CDBDRO CNC(=O)CC[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000178013508 189085457 /nfs/dbraw/zinc/08/54/57/189085457.db2.gz VGMSIRTWNYGMBI-UHFFFAOYSA-N 1 0 285.731 1.816 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000191327587 283565828 /nfs/dbraw/zinc/56/58/28/283565828.db2.gz WIOSJYCMLIQCNJ-MRVPVSSYSA-N 1 0 283.715 1.812 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000147928435 360634687 /nfs/dbraw/zinc/63/46/87/360634687.db2.gz WUQNSTCXEPUMFW-SNVBAGLBSA-N 1 0 267.260 1.168 20 5 CDBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000370081690 360863387 /nfs/dbraw/zinc/86/33/87/360863387.db2.gz GXCRHLQECAISEF-CHWSQXEVSA-N 1 0 281.356 1.175 20 5 CDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1c([N+](=O)[O-])ncn1C ZINC000267667402 360990640 /nfs/dbraw/zinc/99/06/40/360990640.db2.gz OWCDHKGVBHKHGW-UWVGGRQHSA-N 1 0 267.333 1.105 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000037982680 361287694 /nfs/dbraw/zinc/28/76/94/361287694.db2.gz OKXNCEYVVGEEDG-LBPRGKRZSA-N 1 0 298.364 1.428 20 5 CDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1sccc1[N+](=O)[O-] ZINC000302037385 201312888 /nfs/dbraw/zinc/31/28/88/201312888.db2.gz VFGUFZSDSBIGFD-JTQLQIEISA-N 1 0 284.385 1.704 20 5 CDBDRO CC1(C)[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000581318966 363978347 /nfs/dbraw/zinc/97/83/47/363978347.db2.gz NELNLJKSECHICV-OLZOCXBDSA-N 1 0 280.324 1.723 20 5 CDBDRO Cc1cc(C(=O)N2CC[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000088058999 364048060 /nfs/dbraw/zinc/04/80/60/364048060.db2.gz RXIZKCRTUPYEQI-JTQLQIEISA-N 1 0 263.297 1.337 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000088147740 364263402 /nfs/dbraw/zinc/26/34/02/364263402.db2.gz JGBHWXVHQSELLR-LLVKDONJSA-N 1 0 277.324 1.585 20 5 CDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268199324 364443818 /nfs/dbraw/zinc/44/38/18/364443818.db2.gz OJIVUHPFYIYKLB-IINYFYTJSA-N 1 0 289.335 1.807 20 5 CDBDRO CN(CC[NH+]1CCCC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000103119263 364600488 /nfs/dbraw/zinc/60/04/88/364600488.db2.gz HEYYISRCIVMNRC-UHFFFAOYSA-N 1 0 277.324 1.763 20 5 CDBDRO Cc1cc(N2CCC[C@@H]([C@@H](C)[NH3+])C2)ncc1[N+](=O)[O-] ZINC000092027755 364931591 /nfs/dbraw/zinc/93/15/91/364931591.db2.gz UXFSMBMAZHLLBT-GHMZBOCLSA-N 1 0 264.329 1.862 20 5 CDBDRO C[C@]1(CCCO)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000345922306 364949213 /nfs/dbraw/zinc/94/92/13/364949213.db2.gz DZGCGRHGJNIRAV-CYBMUJFWSA-N 1 0 282.344 1.418 20 5 CDBDRO Cc1cccc(OC[C@H](O)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000312876208 364995651 /nfs/dbraw/zinc/99/56/51/364995651.db2.gz ZHUYAQCZFQUPDA-GFCCVEGCSA-N 1 0 282.340 1.983 20 5 CDBDRO C[C@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000270559361 366900748 /nfs/dbraw/zinc/90/07/48/366900748.db2.gz PHQOGVSOLFLTLM-JTQLQIEISA-N 1 0 278.230 1.998 20 5 CDBDRO Cc1ccc(NC(=O)N2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000414649794 241299498 /nfs/dbraw/zinc/29/94/98/241299498.db2.gz ALDPUOUBSRXJNM-SNVBAGLBSA-N 1 0 278.312 1.716 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000414659043 241306001 /nfs/dbraw/zinc/30/60/01/241306001.db2.gz MLIVKLHKKOPRQT-SECBINFHSA-N 1 0 266.301 1.762 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)C[NH3+] ZINC000414658702 241306449 /nfs/dbraw/zinc/30/64/49/241306449.db2.gz RDIASKKHHWPRAA-QMMMGPOBSA-N 1 0 282.300 1.320 20 5 CDBDRO Cc1c(NC(=O)N[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000414710116 241344494 /nfs/dbraw/zinc/34/44/94/241344494.db2.gz RLRLKNNUSOQIMU-SNVBAGLBSA-N 1 0 278.312 1.777 20 5 CDBDRO Cc1c(NC(=O)NC[C@H]([NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000414711610 241346229 /nfs/dbraw/zinc/34/62/29/241346229.db2.gz SNJPYJPBGPKXOV-JTQLQIEISA-N 1 0 278.312 1.762 20 5 CDBDRO Cc1nc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ncc1[N+](=O)[O-] ZINC000297442952 367246497 /nfs/dbraw/zinc/24/64/97/367246497.db2.gz ITXSBYHGBBFFBR-RYUDHWBXSA-N 1 0 291.355 1.614 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000415419031 241677452 /nfs/dbraw/zinc/67/74/52/241677452.db2.gz PRVRSXXSQUZWEB-SECBINFHSA-N 1 0 266.301 1.762 20 5 CDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[NH2+]1 ZINC000417223522 242366344 /nfs/dbraw/zinc/36/63/44/242366344.db2.gz HAPBWKWJMURQBK-GFCCVEGCSA-N 1 0 292.339 1.189 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](CCO)C2CCC2)c1 ZINC000275913097 193161798 /nfs/dbraw/zinc/16/17/98/193161798.db2.gz XUECCBZSBDSNKI-CQSZACIVSA-N 1 0 280.324 1.475 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+](CCO)C2CCC2)c1 ZINC000275920768 193164193 /nfs/dbraw/zinc/16/41/93/193164193.db2.gz ZJORIGSMCVHMCT-UHFFFAOYSA-N 1 0 280.324 1.820 20 5 CDBDRO C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000330595430 203016859 /nfs/dbraw/zinc/01/68/59/203016859.db2.gz QUHYBEBBTYIBNO-NEPJUHHUSA-N 1 0 291.351 1.688 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000089107166 368974023 /nfs/dbraw/zinc/97/40/23/368974023.db2.gz UYJQRKYRXMUCOS-SCZZXKLOSA-N 1 0 266.301 1.170 20 5 CDBDRO NC(=O)c1ccc(NC[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420268094 244000501 /nfs/dbraw/zinc/00/05/01/244000501.db2.gz ABQQFTCIGYZATM-MWLCHTKSSA-N 1 0 292.339 1.623 20 5 CDBDRO CCc1n[nH]c(C(=O)N2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000330672021 203101431 /nfs/dbraw/zinc/10/14/31/203101431.db2.gz FYTBJWLYEGCOJS-UHFFFAOYSA-N 1 0 295.343 1.047 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000420294769 244039204 /nfs/dbraw/zinc/03/92/04/244039204.db2.gz ZHCIRSJGQUWOII-UWVGGRQHSA-N 1 0 250.302 1.919 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CCC[N@@H+]2C)n1 ZINC000420637378 244303013 /nfs/dbraw/zinc/30/30/13/244303013.db2.gz OLURCLPXUQSYKG-NSHDSACASA-N 1 0 264.329 1.829 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+]1C ZINC000330892792 203359750 /nfs/dbraw/zinc/35/97/50/203359750.db2.gz DHIBQFVPSIJDHX-BDAKNGLRSA-N 1 0 267.285 1.400 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000351831236 369749647 /nfs/dbraw/zinc/74/96/47/369749647.db2.gz VZAMZZYAGBUMEA-QWRGUYRKSA-N 1 0 293.323 1.169 20 5 CDBDRO Cc1cc(C(=O)N[C@@H](C)CCC[NH3+])c(N)c([N+](=O)[O-])c1 ZINC000295333624 369961687 /nfs/dbraw/zinc/96/16/87/369961687.db2.gz XTSHFGPNFOLAER-VIFPVBQESA-N 1 0 280.328 1.343 20 5 CDBDRO C[C@H](NC(=O)[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000037766485 370079568 /nfs/dbraw/zinc/07/95/68/370079568.db2.gz VYEMRDJCRKTBNB-JOYOIKCWSA-N 1 0 263.297 1.524 20 5 CDBDRO COc1cc(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000129899379 370128343 /nfs/dbraw/zinc/12/83/43/370128343.db2.gz NBIZSVORSSCZPT-ZJUUUORDSA-N 1 0 293.323 1.426 20 5 CDBDRO CC[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331262196 203664469 /nfs/dbraw/zinc/66/44/69/203664469.db2.gz CVEBOFNILCVOGJ-JQWIXIFHSA-N 1 0 268.317 1.027 20 5 CDBDRO COc1ccc(CN[C@@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000414956956 371169889 /nfs/dbraw/zinc/16/98/89/371169889.db2.gz QKNNLXLMYSFBAM-ZYHUDNBSSA-N 1 0 279.340 1.834 20 5 CDBDRO CN1CC[NH2+]C[C@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000414979621 371198957 /nfs/dbraw/zinc/19/89/57/371198957.db2.gz UTQFROADAHXEFI-LBPRGKRZSA-N 1 0 298.774 1.241 20 5 CDBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1[C@@H]1CCCO1 ZINC000368073656 371505923 /nfs/dbraw/zinc/50/59/23/371505923.db2.gz LMJAGQXEVIGGJG-STQMWFEESA-N 1 0 294.355 1.681 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000422903075 245387640 /nfs/dbraw/zinc/38/76/40/245387640.db2.gz NZXLBKUFIPTNRP-SECBINFHSA-N 1 0 280.328 1.424 20 5 CDBDRO CCC[N@@H+]1CC[C@H](CNc2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000301301187 373504979 /nfs/dbraw/zinc/50/49/79/373504979.db2.gz VCOOUKZBDAJISG-LLVKDONJSA-N 1 0 281.360 1.781 20 5 CDBDRO CC(C)C[N@@H+](CC(N)=O)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269667620 373550769 /nfs/dbraw/zinc/55/07/69/373550769.db2.gz SZAUFKCFTAUOEY-ZDUSSCGKSA-N 1 0 295.339 1.072 20 5 CDBDRO CNC(=O)NC(=O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000298499682 373740329 /nfs/dbraw/zinc/74/03/29/373740329.db2.gz UOSBZYFTCLYLIT-VIFPVBQESA-N 1 0 294.311 1.091 20 5 CDBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1ncc([N+](=O)[O-])cn1 ZINC000274007930 374064794 /nfs/dbraw/zinc/06/47/94/374064794.db2.gz ULZIMILEDVYCFC-JTQLQIEISA-N 1 0 279.344 1.551 20 5 CDBDRO Cc1ccc(NCCCNC(=O)[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000161541534 374218371 /nfs/dbraw/zinc/21/83/71/374218371.db2.gz MWIYEFULFPAAKT-SNVBAGLBSA-N 1 0 280.328 1.169 20 5 CDBDRO C[C@H](NC(=O)N(C)CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000418231274 374258800 /nfs/dbraw/zinc/25/88/00/374258800.db2.gz KXHPFPMZSNXLCV-VIFPVBQESA-N 1 0 266.301 1.256 20 5 CDBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000299003114 374293743 /nfs/dbraw/zinc/29/37/43/374293743.db2.gz MWJNDNVYALKKKP-JTQLQIEISA-N 1 0 280.328 1.385 20 5 CDBDRO C[C@@H]1C[C@H](CO)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000420952500 374308922 /nfs/dbraw/zinc/30/89/22/374308922.db2.gz XZJKGGLJQJYRMJ-OLZOCXBDSA-N 1 0 294.351 1.924 20 5 CDBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC(C)(C)O ZINC000114728845 374345724 /nfs/dbraw/zinc/34/57/24/374345724.db2.gz JPNHTPOHJYYIFT-UHFFFAOYSA-N 1 0 296.323 1.664 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCC3OCCO3)CC2)n1 ZINC000369669668 374360375 /nfs/dbraw/zinc/36/03/75/374360375.db2.gz CUKGVVXWNKLISG-UHFFFAOYSA-N 1 0 296.327 1.191 20 5 CDBDRO O=C(C[C@@H]1CC[NH2+]C1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423856683 246150650 /nfs/dbraw/zinc/15/06/50/246150650.db2.gz XWNHIPGESAVVEX-VIFPVBQESA-N 1 0 297.742 1.864 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1cc(OCC)ccc1[N+](=O)[O-] ZINC000423474209 374383403 /nfs/dbraw/zinc/38/34/03/374383403.db2.gz YTTQVLWJERPLEN-UHFFFAOYSA-N 1 0 295.339 1.723 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000423479753 374385108 /nfs/dbraw/zinc/38/51/08/374385108.db2.gz ODTQPHAVFOTNLQ-GFCCVEGCSA-N 1 0 291.351 1.987 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1-c1nc(C2([NH3+])CCCCC2)no1 ZINC000424340786 374408954 /nfs/dbraw/zinc/40/89/54/374408954.db2.gz HQXKJMSGUWTRCM-UHFFFAOYSA-N 1 0 292.299 1.496 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(C3CC3)CCOCC2)c1 ZINC000375700489 374509135 /nfs/dbraw/zinc/50/91/35/374509135.db2.gz GGNSIAPJJOIRIA-UHFFFAOYSA-N 1 0 280.328 1.340 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)[C@@H]2CCCO2)c(F)c1 ZINC000447911971 374721600 /nfs/dbraw/zinc/72/16/00/374721600.db2.gz IZWSDTSBAPRRLF-STQMWFEESA-N 1 0 284.287 1.363 20 5 CDBDRO COc1ccc(C[NH2+][C@H](CO)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000447923830 374721831 /nfs/dbraw/zinc/72/18/31/374721831.db2.gz UIIUAFNQIALHJO-DGCLKSJQSA-N 1 0 296.323 1.233 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C1CC1 ZINC000449324184 374800204 /nfs/dbraw/zinc/80/02/04/374800204.db2.gz DCELASAIYFOCRZ-HZMBPMFUSA-N 1 0 264.325 1.886 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000124571935 374823633 /nfs/dbraw/zinc/82/36/33/374823633.db2.gz CPYLFOUKBBPQSV-UHFFFAOYSA-N 1 0 265.313 1.585 20 5 CDBDRO CNC(=O)CCC[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093717611 374780487 /nfs/dbraw/zinc/78/04/87/374780487.db2.gz QMRPATISZQLHIR-UHFFFAOYSA-N 1 0 279.340 1.861 20 5 CDBDRO C[NH2+]CCCN(C)Cc1cccc([N+](=O)[O-])c1C ZINC000124916927 374871548 /nfs/dbraw/zinc/87/15/48/374871548.db2.gz YWIZPEGBOWDMFU-UHFFFAOYSA-N 1 0 251.330 1.945 20 5 CDBDRO CC1(C)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000279782337 374960080 /nfs/dbraw/zinc/96/00/80/374960080.db2.gz NSXATVRGTZZHKW-CYBMUJFWSA-N 1 0 280.324 1.676 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000331566500 374974409 /nfs/dbraw/zinc/97/44/09/374974409.db2.gz UPJLLXCBKZXTEQ-LLVKDONJSA-N 1 0 289.335 1.870 20 5 CDBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332614976 375039601 /nfs/dbraw/zinc/03/96/01/375039601.db2.gz DXXVZJQMPPSBIM-NXEZZACHSA-N 1 0 252.318 1.949 20 5 CDBDRO C[C@]1(C(N)=O)CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000280104154 374982669 /nfs/dbraw/zinc/98/26/69/374982669.db2.gz AQIUEQVEYUXMKE-ZDUSSCGKSA-N 1 0 297.742 1.946 20 5 CDBDRO C[C@]1(C(N)=O)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000280355624 374991976 /nfs/dbraw/zinc/99/19/76/374991976.db2.gz UBAPEQXQLAHPHS-ZDUSSCGKSA-N 1 0 263.297 1.292 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1CCCO ZINC000332680448 375042734 /nfs/dbraw/zinc/04/27/34/375042734.db2.gz JSLPEQVQAMLGPL-JTQLQIEISA-N 1 0 268.317 1.065 20 5 CDBDRO COCCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283946972 375127916 /nfs/dbraw/zinc/12/79/16/375127916.db2.gz FPLFDTNXZITMQZ-VIFPVBQESA-N 1 0 253.302 1.864 20 5 CDBDRO C[N@@H+]1CCC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000299556306 375181033 /nfs/dbraw/zinc/18/10/33/375181033.db2.gz RNMRBMBCCARLMP-ZDUSSCGKSA-N 1 0 292.339 1.217 20 5 CDBDRO COc1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000161846173 375191278 /nfs/dbraw/zinc/19/12/78/375191278.db2.gz ALZJYNJUFXAFQQ-QWRGUYRKSA-N 1 0 293.323 1.603 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C[NH3+])C[C@H]1C ZINC000131654795 375305813 /nfs/dbraw/zinc/30/58/13/375305813.db2.gz NHQXYUCBJCTJLI-MNOVXSKESA-N 1 0 279.340 1.773 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493477909 375458638 /nfs/dbraw/zinc/45/86/38/375458638.db2.gz BQDUMIOHKZMPQE-VLWUPBBWSA-N 1 0 281.287 1.601 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000304316524 375428222 /nfs/dbraw/zinc/42/82/22/375428222.db2.gz ONPGJNGZVARSGT-YUTCNCBUSA-N 1 0 294.355 1.417 20 5 CDBDRO Cn1ccc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000227230256 375471168 /nfs/dbraw/zinc/47/11/68/375471168.db2.gz LUNDJRAPQBHKMZ-UHFFFAOYSA-N 1 0 274.324 1.703 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132577526 375530295 /nfs/dbraw/zinc/53/02/95/375530295.db2.gz CACCOKJAWRWGEU-LLVKDONJSA-N 1 0 281.287 1.687 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]CCCOCCO)cs1 ZINC000227333206 375503776 /nfs/dbraw/zinc/50/37/76/375503776.db2.gz WMLXRPXDZOLOPP-UHFFFAOYSA-N 1 0 260.315 1.145 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)C2CC2)cc1 ZINC000353070780 375573461 /nfs/dbraw/zinc/57/34/61/375573461.db2.gz IGUBTCRKNOXYHI-GFCCVEGCSA-N 1 0 250.298 1.703 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000133360442 375762319 /nfs/dbraw/zinc/76/23/19/375762319.db2.gz JNLQZHVMMNELAN-VIFPVBQESA-N 1 0 278.312 1.001 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCCCC1 ZINC000046855675 375820829 /nfs/dbraw/zinc/82/08/29/375820829.db2.gz KLXBDXORHMAYOR-UHFFFAOYSA-N 1 0 292.339 1.514 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CC=CCC2)c1 ZINC000045629492 375821207 /nfs/dbraw/zinc/82/12/07/375821207.db2.gz RSZHBQJXOGKSLD-AAEUAGOBSA-N 1 0 280.328 1.098 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357187978 375888730 /nfs/dbraw/zinc/88/87/30/375888730.db2.gz QJYAUJPQJBHITN-SECBINFHSA-N 1 0 295.343 1.231 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000383466055 375868350 /nfs/dbraw/zinc/86/83/50/375868350.db2.gz KWKNOUWQEDWKSN-JTQLQIEISA-N 1 0 287.266 1.616 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000429170926 247429986 /nfs/dbraw/zinc/42/99/86/247429986.db2.gz MDYWHDVKDDBJGV-BXKDBHETSA-N 1 0 293.323 1.413 20 5 CDBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCNC(=O)CC1 ZINC000296513624 376322364 /nfs/dbraw/zinc/32/23/64/376322364.db2.gz MGEJZKYLNFXUNO-GFCCVEGCSA-N 1 0 291.351 1.943 20 5 CDBDRO CC[NH+](CC)CCSCc1c([N+](=O)[O-])ncn1C ZINC000434796049 248141103 /nfs/dbraw/zinc/14/11/03/248141103.db2.gz PACMHJVBGMAOPC-UHFFFAOYSA-N 1 0 272.374 1.903 20 5 CDBDRO CC(=O)c1ccc(NC[C@](C)(O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000269893042 377492377 /nfs/dbraw/zinc/49/23/77/377492377.db2.gz RLJZEMSPFNKFTC-AWEZNQCLSA-N 1 0 295.339 1.522 20 5 CDBDRO CC1=CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000436267481 249390439 /nfs/dbraw/zinc/39/04/39/249390439.db2.gz CUAKYBLFLRSHBQ-ZDUSSCGKSA-N 1 0 292.335 1.987 20 5 CDBDRO C[NH+](C)CCCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000172923921 377791359 /nfs/dbraw/zinc/79/13/59/377791359.db2.gz RUTCFPXCMYYUAS-UHFFFAOYSA-N 1 0 265.313 1.205 20 5 CDBDRO Cc1c(C[NH2+]C2(CO)CCOCC2)cccc1[N+](=O)[O-] ZINC000069248575 377896261 /nfs/dbraw/zinc/89/62/61/377896261.db2.gz BDKDOCLRMXJNFH-UHFFFAOYSA-N 1 0 280.324 1.534 20 5 CDBDRO C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000094339192 378148673 /nfs/dbraw/zinc/14/86/73/378148673.db2.gz UWNKNHTWSSNKBB-WPRPVWTQSA-N 1 0 255.343 1.825 20 5 CDBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000289474796 197365194 /nfs/dbraw/zinc/36/51/94/197365194.db2.gz BFDCLBIGVOVEGG-KBPBESRZSA-N 1 0 291.351 1.642 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000173620044 378729256 /nfs/dbraw/zinc/72/92/56/378729256.db2.gz AGIGJCFYWKJPQW-GFCCVEGCSA-N 1 0 291.351 1.975 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCOC2)n1 ZINC000447564110 250388086 /nfs/dbraw/zinc/38/80/86/250388086.db2.gz UYUQTDPBFWCABB-YNEHKIRRSA-N 1 0 294.355 1.901 20 5 CDBDRO COCC[N@H+](C)CCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000173913441 379340745 /nfs/dbraw/zinc/34/07/45/379340745.db2.gz ALNCKKQNYLPGSL-UHFFFAOYSA-N 1 0 282.344 1.678 20 5 CDBDRO CCO[C@@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000174872462 379596416 /nfs/dbraw/zinc/59/64/16/379596416.db2.gz MBDKXEFOGFJODJ-QWHCGFSZSA-N 1 0 296.371 1.927 20 5 CDBDRO CCOc1cc(C[N@@H+]2C[C@H](C)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000492720219 253280810 /nfs/dbraw/zinc/28/08/10/253280810.db2.gz HJHGRYWNMGTCMQ-GXFFZTMASA-N 1 0 280.324 1.806 20 5 CDBDRO C[C@@H](NC[C@@H](O)C[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000289312488 197293782 /nfs/dbraw/zinc/29/37/82/197293782.db2.gz FDQZDDXJNJIVKM-IAQYHMDHSA-N 1 0 293.367 1.701 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@H]([NH+]3CCCCC3)C2)nc1 ZINC000273650950 285176975 /nfs/dbraw/zinc/17/69/75/285176975.db2.gz UKVMSVJJRUOBPZ-NSHDSACASA-N 1 0 277.328 1.449 20 5 CDBDRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000288500942 197096487 /nfs/dbraw/zinc/09/64/87/197096487.db2.gz DVWQTSJCBACOSD-VIFPVBQESA-N 1 0 295.295 1.122 20 5 CDBDRO CN(CC[NH+](C)C)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000288299466 197047143 /nfs/dbraw/zinc/04/71/43/197047143.db2.gz IAAOKJVZCRLREH-UHFFFAOYSA-N 1 0 281.341 1.597 20 5 CDBDRO O=C1N[C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2CO1 ZINC000281286533 195181910 /nfs/dbraw/zinc/18/19/10/195181910.db2.gz OTVNUOJJPDXDQA-YPMHNXCESA-N 1 0 291.307 1.525 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000320698166 390488517 /nfs/dbraw/zinc/48/85/17/390488517.db2.gz NRMRGNGHZBXIND-VHSXEESVSA-N 1 0 265.313 1.759 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000261574355 390474772 /nfs/dbraw/zinc/47/47/72/390474772.db2.gz AZVBKBMFLMRJLN-NXEZZACHSA-N 1 0 267.304 1.903 20 5 CDBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000451496796 390626685 /nfs/dbraw/zinc/62/66/85/390626685.db2.gz MHQLZSLCDUUWJC-NXEZZACHSA-N 1 0 268.317 1.231 20 5 CDBDRO CC[C@H](CO)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451158177 390602194 /nfs/dbraw/zinc/60/21/94/390602194.db2.gz KAKVFRPRSGQLGF-SECBINFHSA-N 1 0 278.312 1.674 20 5 CDBDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000362808298 390868199 /nfs/dbraw/zinc/86/81/99/390868199.db2.gz ZFZCDIWLXMULEX-CMPLNLGQSA-N 1 0 289.335 1.682 20 5 CDBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000127427377 390853758 /nfs/dbraw/zinc/85/37/58/390853758.db2.gz XLENVTALSKTMHL-CYBMUJFWSA-N 1 0 282.344 1.427 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C1(C[NH3+])CCC1 ZINC000395406073 390883783 /nfs/dbraw/zinc/88/37/83/390883783.db2.gz UKPFBPXXTFIRSP-UHFFFAOYSA-N 1 0 281.287 1.687 20 5 CDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)NCc1cccc([N+](=O)[O-])c1 ZINC000515809098 390959543 /nfs/dbraw/zinc/95/95/43/390959543.db2.gz CHANWQDUNJSSRH-NSHDSACASA-N 1 0 292.339 1.394 20 5 CDBDRO O=C(CC[N@H+]1CCC[C@@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000411203874 390966085 /nfs/dbraw/zinc/96/60/85/390966085.db2.gz YLRXGNIKJGYBTJ-CYBMUJFWSA-N 1 0 293.323 1.380 20 5 CDBDRO C[C@H]1C[C@@H](O)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000340914401 390970887 /nfs/dbraw/zinc/97/08/87/390970887.db2.gz RPKXOCWCKYEYSC-GXFFZTMASA-N 1 0 250.298 1.592 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000186788579 391082483 /nfs/dbraw/zinc/08/24/83/391082483.db2.gz PXARAUDPOQKKNU-GXFFZTMASA-N 1 0 277.324 1.631 20 5 CDBDRO C[C@@H]1[NH2+]CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000436070030 391177104 /nfs/dbraw/zinc/17/71/04/391177104.db2.gz ZQYPAJJDEOBKIX-RYUDHWBXSA-N 1 0 279.340 1.656 20 5 CDBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000519885229 391286591 /nfs/dbraw/zinc/28/65/91/391286591.db2.gz TYCGCQXDAYKMLZ-UHFFFAOYSA-N 1 0 294.355 1.869 20 5 CDBDRO [NH3+]CC[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(F)F ZINC000383451251 391337590 /nfs/dbraw/zinc/33/75/90/391337590.db2.gz MIRQIDOBTVHMPE-YFKPBYRVSA-N 1 0 279.268 1.369 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000415586758 391467569 /nfs/dbraw/zinc/46/75/69/391467569.db2.gz VXJLFZZZQZINDY-SNVBAGLBSA-N 1 0 278.312 1.777 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000415508149 391468606 /nfs/dbraw/zinc/46/86/06/391468606.db2.gz UQAUEGSHLZFJBD-MRVPVSSYSA-N 1 0 280.284 1.087 20 5 CDBDRO CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000415633334 391470043 /nfs/dbraw/zinc/47/00/43/391470043.db2.gz QLYRYKGYXPLJOE-GFCCVEGCSA-N 1 0 296.302 1.935 20 5 CDBDRO C[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000415631382 391470180 /nfs/dbraw/zinc/47/01/80/391470180.db2.gz MPLPMEHLPZMEDC-RKDXNWHRSA-N 1 0 296.302 1.948 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415631321 391470524 /nfs/dbraw/zinc/47/05/24/391470524.db2.gz MJXSFJZOGHQLME-ZETCQYMHSA-N 1 0 270.264 1.593 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000290878478 391522454 /nfs/dbraw/zinc/52/24/54/391522454.db2.gz DKCHNDXNPACQTM-GFCCVEGCSA-N 1 0 293.367 1.982 20 5 CDBDRO C[C@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC(C)(C)C1 ZINC000343990827 391638870 /nfs/dbraw/zinc/63/88/70/391638870.db2.gz KDTUOBXKTLEZMT-YPMHNXCESA-N 1 0 296.371 1.520 20 5 CDBDRO COCCO[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000189654463 130004290 /nfs/dbraw/zinc/00/42/90/130004290.db2.gz NBHIUXGZGNMIEB-CQSZACIVSA-N 1 0 280.324 1.832 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C[C@H](C)O)[C@@H](C)CO ZINC000190899349 130159260 /nfs/dbraw/zinc/15/92/60/130159260.db2.gz FPVMGGDKKQDSJX-QWRGUYRKSA-N 1 0 298.339 1.167 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192454442 130451453 /nfs/dbraw/zinc/45/14/53/130451453.db2.gz ZZVJBEZBNCVCKV-QMMMGPOBSA-N 1 0 256.331 1.439 20 5 CDBDRO O=C1NC2(CO1)CC[NH+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000495027241 391904229 /nfs/dbraw/zinc/90/42/29/391904229.db2.gz BMDTZCYFXLQGMR-UHFFFAOYSA-N 1 0 291.307 1.669 20 5 CDBDRO C[C@@H](NC(=O)NCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000133476215 391931029 /nfs/dbraw/zinc/93/10/29/391931029.db2.gz YBKBZDNSIFYUBI-SNVBAGLBSA-N 1 0 280.328 1.517 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000235685120 130953177 /nfs/dbraw/zinc/95/31/77/130953177.db2.gz VPXOZNGDXKKDBE-WPRPVWTQSA-N 1 0 281.287 1.604 20 5 CDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([NH3+])C1 ZINC000237540256 131040079 /nfs/dbraw/zinc/04/00/79/131040079.db2.gz QCHUXIFCKZLPLX-UWVGGRQHSA-N 1 0 295.364 1.635 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000237985322 131070610 /nfs/dbraw/zinc/07/06/10/131070610.db2.gz AJSJQVJLNVSJGY-SSDOTTSWSA-N 1 0 269.688 1.421 20 5 CDBDRO Cc1cc(C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000262804375 131263240 /nfs/dbraw/zinc/26/32/40/131263240.db2.gz PVQZBVWYVLJBOW-WDEREUQCSA-N 1 0 277.324 1.726 20 5 CDBDRO CC(C)[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000263913596 131359367 /nfs/dbraw/zinc/35/93/67/131359367.db2.gz NSLPHEXNCWKERP-UHFFFAOYSA-N 1 0 280.328 1.479 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@H+](C)C1 ZINC000153419306 392542343 /nfs/dbraw/zinc/54/23/43/392542343.db2.gz MJJRRSKVPWBSNL-LLVKDONJSA-N 1 0 295.314 1.900 20 5 CDBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000549372492 392574104 /nfs/dbraw/zinc/57/41/04/392574104.db2.gz SXZWPGVGKRCZQX-SNVBAGLBSA-N 1 0 295.343 1.168 20 5 CDBDRO C[C@H](NC(=O)N1C[C@H](C)[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000418226242 392879240 /nfs/dbraw/zinc/87/92/40/392879240.db2.gz AUEVQGUDGFPGAZ-OUJBWJOFSA-N 1 0 292.339 1.644 20 5 CDBDRO CC(=O)N[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000420993522 392924098 /nfs/dbraw/zinc/92/40/98/392924098.db2.gz ZGYGCLTULIVXAT-GFCCVEGCSA-N 1 0 293.323 1.184 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000078571710 392939139 /nfs/dbraw/zinc/93/91/39/392939139.db2.gz GJONRIFMCJTWRZ-GFCCVEGCSA-N 1 0 276.340 1.973 20 5 CDBDRO CCc1ccc(C(=O)N2CC[C@H]([NH2+]C)C2)cc1[N+](=O)[O-] ZINC000269125899 132116544 /nfs/dbraw/zinc/11/65/44/132116544.db2.gz MBIZMWKWBPCKCT-LBPRGKRZSA-N 1 0 277.324 1.591 20 5 CDBDRO [NH3+]C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000269125975 132116967 /nfs/dbraw/zinc/11/69/67/132116967.db2.gz XOYLNMYTPZGKKF-UHFFFAOYSA-N 1 0 289.291 1.904 20 5 CDBDRO Cc1n[nH]c(C(=O)N[C@@H](C[NH3+])C2CCCCC2)c1[N+](=O)[O-] ZINC000269179354 132125883 /nfs/dbraw/zinc/12/58/83/132125883.db2.gz CROMTNLNDMPRRM-JTQLQIEISA-N 1 0 295.343 1.264 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000421700302 392943102 /nfs/dbraw/zinc/94/31/02/392943102.db2.gz DSIBSPONKMGVNA-CYBMUJFWSA-N 1 0 277.324 1.761 20 5 CDBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000429772572 393084763 /nfs/dbraw/zinc/08/47/63/393084763.db2.gz JKYMBWGCHGHRDH-KBPBESRZSA-N 1 0 291.351 1.642 20 5 CDBDRO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1O ZINC000430197949 393090707 /nfs/dbraw/zinc/09/07/07/393090707.db2.gz XEPYNUHOLTUSLR-GXFFZTMASA-N 1 0 280.324 1.806 20 5 CDBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430240662 393095569 /nfs/dbraw/zinc/09/55/69/393095569.db2.gz DVSFGNPSABRDKH-JTQLQIEISA-N 1 0 295.339 1.417 20 5 CDBDRO [NH3+][C@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000430610918 393102170 /nfs/dbraw/zinc/10/21/70/393102170.db2.gz MNLCLSSGSAPFDX-JTQLQIEISA-N 1 0 289.295 1.178 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@H]1C[NH3+] ZINC000070176625 393103187 /nfs/dbraw/zinc/10/31/87/393103187.db2.gz SJQATYIWGHZCRI-IUCAKERBSA-N 1 0 283.353 1.856 20 5 CDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH3+])C1 ZINC000430955674 393107867 /nfs/dbraw/zinc/10/78/67/393107867.db2.gz MOWCGOJCTROJGH-LBPRGKRZSA-N 1 0 279.340 1.915 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C[S@](C)=O ZINC000449237106 393131570 /nfs/dbraw/zinc/13/15/70/393131570.db2.gz AODOMFBREROSSH-FDMGOTLNSA-N 1 0 284.381 1.882 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)[C@@H]1CCOC1 ZINC000449162957 393132159 /nfs/dbraw/zinc/13/21/59/393132159.db2.gz UKVAXJUIEKZDBA-KYOSRNDESA-N 1 0 294.351 1.513 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000131759951 393207433 /nfs/dbraw/zinc/20/74/33/393207433.db2.gz OKQRMTDTLXRZLP-NSHDSACASA-N 1 0 295.314 1.948 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000162615005 393209782 /nfs/dbraw/zinc/20/97/82/393209782.db2.gz VETJFUHHNFCXGG-JTQLQIEISA-N 1 0 262.313 1.947 20 5 CDBDRO CNC(=O)c1ccc(N2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000132437459 139853447 /nfs/dbraw/zinc/85/34/47/139853447.db2.gz XTMIRHDXOQBWKF-GXSJLCMTSA-N 1 0 292.339 1.128 20 5 CDBDRO COc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000136482545 139893250 /nfs/dbraw/zinc/89/32/50/139893250.db2.gz YXBAMSZYSVWZAC-PSASIEDQSA-N 1 0 279.296 1.397 20 5 CDBDRO CCc1ccc(C(=O)N2CC[C@H](C[NH2+]C)C2)cc1[N+](=O)[O-] ZINC000179019347 140011591 /nfs/dbraw/zinc/01/15/91/140011591.db2.gz RAKWDYVDEQQNIL-LLVKDONJSA-N 1 0 291.351 1.839 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180744201 140017739 /nfs/dbraw/zinc/01/77/39/140017739.db2.gz CEBCHGOZJYRNSK-SNVBAGLBSA-N 1 0 292.339 1.343 20 5 CDBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000218842807 140164212 /nfs/dbraw/zinc/16/42/12/140164212.db2.gz CULFTAKDMFNZQI-BNOWGMLFSA-N 1 0 296.371 1.711 20 5 CDBDRO COc1cc(N2CC[C@@H](C[NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000227859986 140188782 /nfs/dbraw/zinc/18/87/82/140188782.db2.gz IMNHKAMIFFAXMW-QMMMGPOBSA-N 1 0 269.276 1.528 20 5 CDBDRO CCc1nn(C)c(N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000229099261 140200384 /nfs/dbraw/zinc/20/03/84/140200384.db2.gz KXNIAQGGQPDYEH-ZJUUUORDSA-N 1 0 281.360 1.312 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1([NH3+])CCC1 ZINC000230053146 140207371 /nfs/dbraw/zinc/20/73/71/140207371.db2.gz NQSJPSBNXGMDBO-UHFFFAOYSA-N 1 0 299.352 1.063 20 5 CDBDRO CC[C@H]([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856515 140220038 /nfs/dbraw/zinc/22/00/38/140220038.db2.gz HZRHWLXENQPFAY-JTQLQIEISA-N 1 0 251.286 1.257 20 5 CDBDRO Cc1cccc(C(=O)N[C@@H]2CCC[NH2+]CC2)c1[N+](=O)[O-] ZINC000232232777 140221404 /nfs/dbraw/zinc/22/14/04/140221404.db2.gz RMOPNIJUZOIUFM-LLVKDONJSA-N 1 0 277.324 1.775 20 5 CDBDRO CCc1nn(C)c(N2CC[C@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000252776268 140325499 /nfs/dbraw/zinc/32/54/99/140325499.db2.gz KIZXPEFLASPMBP-IUCAKERBSA-N 1 0 267.333 1.064 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261595997 140359915 /nfs/dbraw/zinc/35/99/15/140359915.db2.gz ACGPJXGFSSXKLY-TUAOUCFPSA-N 1 0 289.335 1.713 20 5 CDBDRO [NH3+][C@@H]1CC[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000261602085 140361218 /nfs/dbraw/zinc/36/12/18/140361218.db2.gz QHSMHPXMUBWXED-FPMFFAJLSA-N 1 0 261.325 1.764 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261746668 140383932 /nfs/dbraw/zinc/38/39/32/140383932.db2.gz SQTYKNYNEMGGLU-RYUDHWBXSA-N 1 0 289.335 1.727 20 5 CDBDRO COc1ccc(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000261830274 140395689 /nfs/dbraw/zinc/39/56/89/140395689.db2.gz USQMVRYYRRIANC-WPRPVWTQSA-N 1 0 279.296 1.165 20 5 CDBDRO COc1cc(N2CC[C@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000127389084 147553289 /nfs/dbraw/zinc/55/32/89/147553289.db2.gz QSJAATWLPGYZDA-ZJUUUORDSA-N 1 0 265.313 1.777 20 5 CDBDRO Cc1cc(C(=O)NCC2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000127634808 147563780 /nfs/dbraw/zinc/56/37/80/147563780.db2.gz PQEFFWJFCQTKCS-UHFFFAOYSA-N 1 0 291.351 1.975 20 5 CDBDRO [NH3+]CC1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000127998572 147581217 /nfs/dbraw/zinc/58/12/17/147581217.db2.gz XTAAEKYAMGEKEY-UHFFFAOYSA-N 1 0 291.351 1.773 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000262499343 149069106 /nfs/dbraw/zinc/06/91/06/149069106.db2.gz XSTRGEAMZYVQNG-MRVPVSSYSA-N 1 0 291.311 1.199 20 5 CDBDRO CO[C@](C)([C@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000411959160 286151379 /nfs/dbraw/zinc/15/13/79/286151379.db2.gz YBQCHUYHJIJSMP-GXFFZTMASA-N 1 0 282.344 1.585 20 5 CDBDRO CSc1ccc(C(=O)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000343004121 151992183 /nfs/dbraw/zinc/99/21/83/151992183.db2.gz PTHSFKYGOIBDAJ-VIFPVBQESA-N 1 0 297.380 1.997 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1(CO)CCOCC1 ZINC000344336184 152498794 /nfs/dbraw/zinc/49/87/94/152498794.db2.gz AUMSCEAOYFZALL-HYXAFXHYSA-N 1 0 292.335 1.739 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261610020 292282700 /nfs/dbraw/zinc/28/27/00/292282700.db2.gz DTXULGAWJUGQPZ-DRZSPHRISA-N 1 0 289.335 1.713 20 5 CDBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000346685534 153271885 /nfs/dbraw/zinc/27/18/85/153271885.db2.gz SQAINFHKFWMVHN-MFKMUULPSA-N 1 0 278.308 1.978 20 5 CDBDRO CCOc1ccc(C(=O)N[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000347654770 153611728 /nfs/dbraw/zinc/61/17/28/153611728.db2.gz MRRXDWXCLLWCRG-MRVPVSSYSA-N 1 0 267.285 1.071 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000349917605 154271014 /nfs/dbraw/zinc/27/10/14/154271014.db2.gz SUUMUMZLWXPJEC-QMMMGPOBSA-N 1 0 277.280 1.808 20 5 CDBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000359778550 158372859 /nfs/dbraw/zinc/37/28/59/158372859.db2.gz PHNJBJMDVKRNBR-VIFPVBQESA-N 1 0 283.332 1.168 20 5 CDBDRO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CC[C@@H](C)C1 ZINC000362149692 159084254 /nfs/dbraw/zinc/08/42/54/159084254.db2.gz NHXBWVSOHBZYMG-CHWSQXEVSA-N 1 0 296.371 1.928 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000362980686 159283345 /nfs/dbraw/zinc/28/33/45/159283345.db2.gz QUTWWGVKCLBHKQ-GMXVVIOVSA-N 1 0 291.351 1.970 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000371475699 160014540 /nfs/dbraw/zinc/01/45/40/160014540.db2.gz MEHQATAGTRPTLL-NSHDSACASA-N 1 0 262.313 1.664 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](C3CC3)C2)c1 ZINC000372337175 160107412 /nfs/dbraw/zinc/10/74/12/160107412.db2.gz BDYDYOHFAQENMV-NSHDSACASA-N 1 0 250.302 1.523 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000372337174 160107699 /nfs/dbraw/zinc/10/76/99/160107699.db2.gz BDYDYOHFAQENMV-LLVKDONJSA-N 1 0 250.302 1.523 20 5 CDBDRO CC(C)[C@H](O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285101953 196197490 /nfs/dbraw/zinc/19/74/90/196197490.db2.gz KJBVLZHKFPLCKE-TVQRCGJNSA-N 1 0 267.329 1.845 20 5 CDBDRO COC[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000285308242 196246295 /nfs/dbraw/zinc/24/62/95/196246295.db2.gz SJMSGWFUXPBBTJ-MWLCHTKSSA-N 1 0 283.328 1.489 20 5 CDBDRO C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000038083179 174093088 /nfs/dbraw/zinc/09/30/88/174093088.db2.gz NHQAPFZJELNTTG-GHMZBOCLSA-N 1 0 298.364 1.680 20 5 CDBDRO Cc1nn(C)c(NC[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000044503099 175186305 /nfs/dbraw/zinc/18/63/05/175186305.db2.gz PNSSFACKSLMBNI-VIFPVBQESA-N 1 0 253.306 1.048 20 5 CDBDRO [NH3+]CC1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000044512570 175188178 /nfs/dbraw/zinc/18/81/78/175188178.db2.gz WMMSXKPSSQBWET-UHFFFAOYSA-N 1 0 263.297 1.406 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000044528138 175192614 /nfs/dbraw/zinc/19/26/14/175192614.db2.gz DNLCFSAJJWCPCP-QMMMGPOBSA-N 1 0 269.326 1.467 20 5 CDBDRO NC(=O)c1ccc(CN2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000044559039 175203474 /nfs/dbraw/zinc/20/34/74/175203474.db2.gz QVYFANOHMKAMSN-LBPRGKRZSA-N 1 0 292.339 1.007 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000044564371 175207547 /nfs/dbraw/zinc/20/75/47/175207547.db2.gz NGOXGQPKYAFZDC-NSHDSACASA-N 1 0 295.314 1.948 20 5 CDBDRO C[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000044747915 175243414 /nfs/dbraw/zinc/24/34/14/175243414.db2.gz YXGYMZZPMXBLQH-UHFFFAOYSA-N 1 0 251.286 1.243 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000070447278 175939050 /nfs/dbraw/zinc/93/90/50/175939050.db2.gz FPGMXXZUMBDBRS-LLVKDONJSA-N 1 0 266.301 1.700 20 5 CDBDRO C[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000079928675 177582154 /nfs/dbraw/zinc/58/21/54/177582154.db2.gz QSTOWQXVLXNJLT-ONGXEEELSA-N 1 0 263.297 1.524 20 5 CDBDRO CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000214661278 260043911 /nfs/dbraw/zinc/04/39/11/260043911.db2.gz FVHWKMRKQZSEPI-IRBQFCFKSA-N 1 0 275.308 1.428 20 5 CDBDRO CCC[NH2+]CCNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000414874872 263088481 /nfs/dbraw/zinc/08/84/81/263088481.db2.gz SXUJGEBZDXLZFT-UHFFFAOYSA-N 1 0 297.355 1.701 20 5 CDBDRO CCCNC(=O)CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000044351465 270227270 /nfs/dbraw/zinc/22/72/70/270227270.db2.gz XYBNTZXXBKAWJM-UHFFFAOYSA-N 1 0 279.340 1.909 20 5 CDBDRO [NH3+]CC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(F)F ZINC000394819717 270339352 /nfs/dbraw/zinc/33/93/52/270339352.db2.gz SVMJWZXMEZDBET-SECBINFHSA-N 1 0 291.229 1.446 20 5 CDBDRO C[NH+](C)C1(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC000397881486 270351654 /nfs/dbraw/zinc/35/16/54/270351654.db2.gz KSPDKIKUNDUFIS-UHFFFAOYSA-N 1 0 255.343 1.840 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000516917555 270498014 /nfs/dbraw/zinc/49/80/14/270498014.db2.gz POASUOJJFHPEHT-MNOVXSKESA-N 1 0 279.344 1.154 20 5 CDBDRO C[NH2+][C@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000133103343 273974986 /nfs/dbraw/zinc/97/49/86/273974986.db2.gz GOFWOMIHHHCGGO-JTQLQIEISA-N 1 0 272.308 1.941 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415628042 274214955 /nfs/dbraw/zinc/21/49/55/274214955.db2.gz DHLVXJHOCCLGEM-ZETCQYMHSA-N 1 0 270.264 1.545 20 5 CDBDRO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000253189680 274304767 /nfs/dbraw/zinc/30/47/67/274304767.db2.gz KKLNFGPYTMNNCM-NXEZZACHSA-N 1 0 250.302 1.411 20 5 CDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)C[C@H](C)[NH2+]1 ZINC000053711755 274364639 /nfs/dbraw/zinc/36/46/39/274364639.db2.gz SGDDNVFDBUIQAT-DTORHVGOSA-N 1 0 253.277 1.921 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158474887 275012836 /nfs/dbraw/zinc/01/28/36/275012836.db2.gz UPLKAATWKUKRMO-LBPRGKRZSA-N 1 0 265.269 1.013 20 5 CDBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000236680406 275921836 /nfs/dbraw/zinc/92/18/36/275921836.db2.gz WTXYSUQURQAWJF-CYBMUJFWSA-N 1 0 297.359 1.061 20 5 CDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000359222484 276050460 /nfs/dbraw/zinc/05/04/60/276050460.db2.gz RDDYXEMMWNWVDO-JTQLQIEISA-N 1 0 280.328 1.147 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269471334 276071376 /nfs/dbraw/zinc/07/13/76/276071376.db2.gz UQORIJXTWQDJOB-UHFFFAOYSA-N 1 0 283.332 1.123 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[NH3+] ZINC000423542121 276382032 /nfs/dbraw/zinc/38/20/32/276382032.db2.gz SWAFQNXQAHFBMB-MRVPVSSYSA-N 1 0 267.285 1.071 20 5 CDBDRO CC[C@@H](C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)OC ZINC000419283004 276423454 /nfs/dbraw/zinc/42/34/54/276423454.db2.gz MLBKHRAJPVBWHY-LBPRGKRZSA-N 1 0 294.355 1.537 20 5 CDBDRO C[NH2+][C@@H](C)Cc1noc(COc2cccc([N+](=O)[O-])c2)n1 ZINC000261692344 277038896 /nfs/dbraw/zinc/03/88/96/277038896.db2.gz HORYBQUDMTXYQE-VIFPVBQESA-N 1 0 292.295 1.707 20 5 CDBDRO COC(=O)CC1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CCCC1 ZINC000338322037 277314755 /nfs/dbraw/zinc/31/47/55/277314755.db2.gz RYJHKLJOTBTQRJ-UHFFFAOYSA-N 1 0 296.327 1.294 20 5 CDBDRO COCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447519470 277535446 /nfs/dbraw/zinc/53/54/46/277535446.db2.gz QNJACKVRTLWQIA-MNOVXSKESA-N 1 0 268.317 1.511 20 5 CDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000287228173 278099811 /nfs/dbraw/zinc/09/98/11/278099811.db2.gz QOHMGUOTRRSVFY-NXEZZACHSA-N 1 0 293.327 1.017 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000430618227 278230956 /nfs/dbraw/zinc/23/09/56/278230956.db2.gz RYMLUKFYYCEVCD-VHSXEESVSA-N 1 0 267.333 1.030 20 5 CDBDRO C[C@@H]([NH3+])CCC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000193181162 278305873 /nfs/dbraw/zinc/30/58/73/278305873.db2.gz KMSKHFGRZJSYRD-SNVBAGLBSA-N 1 0 280.328 1.250 20 5 CDBDRO C[C@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163997700 278369984 /nfs/dbraw/zinc/36/99/84/278369984.db2.gz HHOBDBVHWMSZMI-ONGXEEELSA-N 1 0 292.339 1.115 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCO[C@@H](C[NH3+])C1 ZINC000420299380 278866772 /nfs/dbraw/zinc/86/67/72/278866772.db2.gz BADGEXGCVMMVOS-YPMHNXCESA-N 1 0 279.340 1.624 20 5 CDBDRO Cc1c(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000047920787 279155107 /nfs/dbraw/zinc/15/51/07/279155107.db2.gz RTBXFAFJIUKQRT-AWEZNQCLSA-N 1 0 291.351 1.973 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(C)C1=O ZINC000449179064 279382512 /nfs/dbraw/zinc/38/25/12/279382512.db2.gz VDKSLVMKCNFGBH-DGCLKSJQSA-N 1 0 291.351 1.736 20 5 CDBDRO C[NH+](C)CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000125539738 279470487 /nfs/dbraw/zinc/47/04/87/279470487.db2.gz NUQFPNDVKMVDHL-BQYQJAHWSA-N 1 0 263.297 1.286 20 5 CDBDRO [NH3+][C@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000129182106 279684824 /nfs/dbraw/zinc/68/48/24/279684824.db2.gz HDMLTFIYBKDARG-SNVBAGLBSA-N 1 0 267.260 1.201 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000237115757 280158128 /nfs/dbraw/zinc/15/81/28/280158128.db2.gz RCHINIKPZZJPKL-NSHDSACASA-N 1 0 294.355 1.003 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@H]2CC[NH2+]C2)n1 ZINC000423204996 280377474 /nfs/dbraw/zinc/37/74/74/280377474.db2.gz BGAWBDCGGXPTHZ-SDDRHHMPSA-N 1 0 279.344 1.227 20 5 CDBDRO C[C@@H](O)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H](C)CO ZINC000248907460 280393310 /nfs/dbraw/zinc/39/33/10/280393310.db2.gz IGXFVMYHOGTDQG-VXGBXAGGSA-N 1 0 298.339 1.037 20 5 CDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000560380881 293029366 /nfs/dbraw/zinc/02/93/66/293029366.db2.gz XXKOMZBBZONSDW-LLVKDONJSA-N 1 0 294.355 1.490 20 5 CDBDRO CC[C@H](O)CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000563140911 293287268 /nfs/dbraw/zinc/28/72/68/293287268.db2.gz GSRDBYFNKRXYFX-RYUDHWBXSA-N 1 0 298.339 1.085 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)[C@@H]1CCOC1 ZINC000565218821 293566365 /nfs/dbraw/zinc/56/63/65/293566365.db2.gz RULJTNMFJKXJRP-RIEGTJTDSA-N 1 0 292.335 1.569 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000568868244 294114388 /nfs/dbraw/zinc/11/43/88/294114388.db2.gz ZXWSGCMRPZRPMC-QWRGUYRKSA-N 1 0 295.339 1.606 20 5 CDBDRO Cc1nn(C[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000570448447 294240860 /nfs/dbraw/zinc/24/08/60/294240860.db2.gz CEQILNDWDCTMAU-XYPYZODXSA-N 1 0 252.318 1.865 20 5 CDBDRO CC1(C)C[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570676425 294286636 /nfs/dbraw/zinc/28/66/36/294286636.db2.gz PTDASSCLRZGEND-NEPJUHHUSA-N 1 0 294.351 1.970 20 5 CDBDRO CNc1ccc(C(=O)N(C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000570803494 294311680 /nfs/dbraw/zinc/31/16/80/294311680.db2.gz VLHXDMQXWINMTP-UHFFFAOYSA-N 1 0 294.355 1.693 20 5 CDBDRO CC[C@@H]1C[N@H+](CC)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000571032656 294354385 /nfs/dbraw/zinc/35/43/85/294354385.db2.gz ZIMVBIIQYQGHKQ-LLVKDONJSA-N 1 0 264.329 1.910 20 5 CDBDRO COCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000572939946 294719515 /nfs/dbraw/zinc/71/95/15/294719515.db2.gz QMKDGACCNCQHLC-UHFFFAOYSA-N 1 0 298.318 1.652 20 5 CDBDRO CC[C@H](CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000574054264 294938573 /nfs/dbraw/zinc/93/85/73/294938573.db2.gz CCDQVSNQHARJFQ-SNVBAGLBSA-N 1 0 281.312 1.284 20 5 CDBDRO C[C@@H](O)CCC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000574204782 294964439 /nfs/dbraw/zinc/96/44/39/294964439.db2.gz MPNJQDYPOBALDA-VXGBXAGGSA-N 1 0 298.339 1.085 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000230070224 295309293 /nfs/dbraw/zinc/30/92/93/295309293.db2.gz WAHLYFGGHQGHGM-KGYLQXTDSA-N 1 0 289.335 1.794 20 5 CDBDRO CC[N@H+](C)C[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000563352565 316263744 /nfs/dbraw/zinc/26/37/44/316263744.db2.gz JFVCGJMDASAHHH-SMDDNHRTSA-N 1 0 281.356 1.558 20 5 CDBDRO Cc1nc(N2CCCC[C@@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000576615395 317173762 /nfs/dbraw/zinc/17/37/62/317173762.db2.gz GVDDOFSGSHAQIT-SECBINFHSA-N 1 0 251.290 1.011 20 5 CDBDRO CCC[N@H+](C)CC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000360747260 482446874 /nfs/dbraw/zinc/44/68/74/482446874.db2.gz MCEUAAUOLSTDTL-UHFFFAOYSA-N 1 0 281.312 1.884 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000148784753 522030249 /nfs/dbraw/zinc/03/02/49/522030249.db2.gz WYVOWFULUCBTMC-MRVPVSSYSA-N 1 0 285.731 1.834 20 5 CDBDRO COc1cc(CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)ccc1O ZINC001168966546 1161995720 /nfs/dbraw/zinc/99/57/20/1161995720.db2.gz JKLXHRQAEHAZGD-QWHCGFSZSA-N 1 0 294.351 1.978 20 5 CDBDRO CCc1nn(C)c(NC[C@H](C)[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000220150346 536182423 /nfs/dbraw/zinc/18/24/23/536182423.db2.gz HVJHRABNTMSDHY-VIFPVBQESA-N 1 0 281.360 1.785 20 5 CDBDRO CC(C)[N@H+](C)CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000049400425 519607775 /nfs/dbraw/zinc/60/77/75/519607775.db2.gz JYIRAYKMNRCZPY-UHFFFAOYSA-N 1 0 279.340 1.594 20 5 CDBDRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000184796208 527001977 /nfs/dbraw/zinc/00/19/77/527001977.db2.gz NMOAFCIQMBZVPA-NWDGAFQWSA-N 1 0 277.324 1.729 20 5 CDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[NH2+]CC1 ZINC000050499160 527038251 /nfs/dbraw/zinc/03/82/51/527038251.db2.gz KADOQJXYOJGZKO-UHFFFAOYSA-N 1 0 295.364 1.509 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CC[C@@H](O)C2)c1 ZINC000188827860 527386488 /nfs/dbraw/zinc/38/64/88/527386488.db2.gz FMFLDFAAIAFBFS-WCQYABFASA-N 1 0 250.298 1.845 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000423465401 535171375 /nfs/dbraw/zinc/17/13/75/535171375.db2.gz RQHSTDSEPHMIEH-UHFFFAOYSA-N 1 0 295.339 1.641 20 5 CDBDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423820466 535655193 /nfs/dbraw/zinc/65/51/93/535655193.db2.gz CAWPSXZSDWUCBQ-NOZJJQNGSA-N 1 0 292.339 1.248 20 5 CDBDRO CCc1nn(C)c(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000227823992 536182447 /nfs/dbraw/zinc/18/24/47/536182447.db2.gz MASNUNLULSBQRD-NEPJUHHUSA-N 1 0 293.371 1.929 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000322660530 536299058 /nfs/dbraw/zinc/29/90/58/536299058.db2.gz CQAAHXJMMOSUMH-VIFPVBQESA-N 1 0 265.313 1.517 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(CN2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000735491396 575472594 /nfs/dbraw/zinc/47/25/94/575472594.db2.gz KCNPHJTWKNFUFA-PHIMTYICSA-N 1 0 281.743 1.899 20 5 CDBDRO COc1cc(CN2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000766845911 576138909 /nfs/dbraw/zinc/13/89/09/576138909.db2.gz GVUGUTBXKUKVEL-JTQLQIEISA-N 1 0 297.330 1.878 20 5 CDBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC(O)C1 ZINC000759872796 576439132 /nfs/dbraw/zinc/43/91/32/576439132.db2.gz FFKFEWPFVZDDQC-BPCQOVAHSA-N 1 0 266.297 1.083 20 5 CDBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000750066139 576974428 /nfs/dbraw/zinc/97/44/28/576974428.db2.gz GMCYAOSQVAGDSX-STQMWFEESA-N 1 0 266.297 1.349 20 5 CDBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000892720830 617648680 /nfs/dbraw/zinc/64/86/80/617648680.db2.gz GKFOSVQYRRLOSQ-NSHDSACASA-N 1 0 295.339 1.493 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000892762479 617711505 /nfs/dbraw/zinc/71/15/05/617711505.db2.gz AHYZRLMEDXIPMH-GFCCVEGCSA-N 1 0 293.371 1.496 20 5 CDBDRO O=C1NCCN1CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000895815263 619858432 /nfs/dbraw/zinc/85/84/32/619858432.db2.gz ZFLPGYDGMYDAKI-UHFFFAOYSA-N 1 0 298.730 1.363 20 5 CDBDRO CC1(C)CNC(=O)[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000925153687 620495602 /nfs/dbraw/zinc/49/56/02/620495602.db2.gz NBMJSUYCKQPGQW-GFCCVEGCSA-N 1 0 277.324 1.252 20 5 CDBDRO CCN(CCC[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000899866725 622492426 /nfs/dbraw/zinc/49/24/26/622492426.db2.gz MPHVIFXGVKTYFS-UHFFFAOYSA-N 1 0 251.330 1.769 20 5 CDBDRO C[C@@H](COc1ccc(F)cc1F)[NH2+]CC[N+](=O)[O-] ZINC000905070055 626616213 /nfs/dbraw/zinc/61/62/13/626616213.db2.gz XKXBDIULNVAPED-QMMMGPOBSA-N 1 0 260.240 1.598 20 5 CDBDRO COc1ccc(O[C@@H](C)C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905136631 626650512 /nfs/dbraw/zinc/65/05/12/626650512.db2.gz LYPDOGRHSZLING-JTQLQIEISA-N 1 0 254.286 1.329 20 5 CDBDRO C[C@@H](CCNCC[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000905146513 626658080 /nfs/dbraw/zinc/65/80/80/626658080.db2.gz NRPYUZYCCAXTBD-ZDUSSCGKSA-N 1 0 265.357 1.763 20 5 CDBDRO O=C(NC1CC[NH2+]CC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911627832 629372789 /nfs/dbraw/zinc/37/27/89/629372789.db2.gz BHIMQZAIDITONN-KGLIPLIRSA-N 1 0 289.335 1.567 20 5 CDBDRO CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911687930 629416855 /nfs/dbraw/zinc/41/68/55/629416855.db2.gz KVQJHYJXYJAVDN-UONOGXRCSA-N 1 0 291.351 1.814 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911764709 629481843 /nfs/dbraw/zinc/48/18/43/629481843.db2.gz OPNWQSMIMSXBRS-RYUDHWBXSA-N 1 0 277.324 1.552 20 5 CDBDRO [NH3+]CCCSCCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000912254952 629871487 /nfs/dbraw/zinc/87/14/87/629871487.db2.gz CYMCTECGRFPOFS-UHFFFAOYSA-N 1 0 297.380 1.683 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000888278508 631739267 /nfs/dbraw/zinc/73/92/67/631739267.db2.gz WVSBGZMYMAIMQS-JTQLQIEISA-N 1 0 296.302 1.950 20 5 CDBDRO C[N@@H+]1CCC[C@H]1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000915662043 631789513 /nfs/dbraw/zinc/78/95/13/631789513.db2.gz BKEGRQIGAMOCRW-JTQLQIEISA-N 1 0 289.291 1.285 20 5 CDBDRO COC(=O)c1ccc(OC[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000916203281 631939622 /nfs/dbraw/zinc/93/96/22/631939622.db2.gz OFTIQNYVGTZNOF-NSHDSACASA-N 1 0 294.307 1.854 20 5 CDBDRO COc1cc([N+](=O)[O-])c(NCC2C[NH+](C)C2)cc1F ZINC001170254500 1162326319 /nfs/dbraw/zinc/32/63/19/1162326319.db2.gz NYRRTKURCBVRIV-UHFFFAOYSA-N 1 0 269.276 1.716 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H](O)CF)c([N+](=O)[O-])c1 ZINC001170326394 1162337505 /nfs/dbraw/zinc/33/75/05/1162337505.db2.gz IRSQNHJDAJGOJF-ONGXEEELSA-N 1 0 286.303 1.454 20 5 CDBDRO C[C@@H]1[C@@H]([NH3+])CCCN1c1ncc([N+](=O)[O-])cc1F ZINC001157745389 1162386070 /nfs/dbraw/zinc/38/60/70/1162386070.db2.gz ZDYKEUZUMYKVTG-XCBNKYQSSA-N 1 0 254.265 1.445 20 5 CDBDRO C[C@@H]([NH3+])c1ccn(-c2ncc([N+](=O)[O-])cc2F)n1 ZINC001158348643 1162892220 /nfs/dbraw/zinc/89/22/20/1162892220.db2.gz JGOXXOXGEHZAHL-ZCFIWIBFSA-N 1 0 251.221 1.334 20 5 CDBDRO CCOc1cc(N[C@H](C)[C@@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC001170570418 1162954712 /nfs/dbraw/zinc/95/47/12/1162954712.db2.gz BXDKPAABIDDYAJ-YGRLFVJLSA-N 1 0 295.339 1.782 20 5 CDBDRO Cn1cc(NCC23CC[NH+](CC2)CC3)cc([N+](=O)[O-])c1=O ZINC001169796092 1162017496 /nfs/dbraw/zinc/01/74/96/1162017496.db2.gz VTOAFHHJHZOSBH-UHFFFAOYSA-N 1 0 292.339 1.191 20 5 CDBDRO O=[N+]([O-])c1cccc2c(N[C@H]3C[NH2+]C[C@H]3CO)ccnc21 ZINC001170778985 1164111741 /nfs/dbraw/zinc/11/17/41/1164111741.db2.gz BGGBQBBYLYJSNA-CABZTGNLSA-N 1 0 288.307 1.135 20 5 CDBDRO Cc1ccc([C@H](O)C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000819177844 1164197595 /nfs/dbraw/zinc/19/75/95/1164197595.db2.gz WWKNRHVNMXBZKK-CQSZACIVSA-N 1 0 290.323 1.423 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](O)C1 ZINC000866392771 1164777941 /nfs/dbraw/zinc/77/79/41/1164777941.db2.gz HBKBDQIFSXREEM-GGZOMVNGSA-N 1 0 268.288 1.778 20 5 CDBDRO C[NH+](C)CCCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000035098429 1165639121 /nfs/dbraw/zinc/63/91/21/1165639121.db2.gz LWPQCJOKKJKYBI-UHFFFAOYSA-N 1 0 291.311 1.195 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2C[C@@H]([NH3+])Cc3ccccc32)n1 ZINC001155298340 1167119790 /nfs/dbraw/zinc/11/97/90/1167119790.db2.gz RGLWRRVEVPGROM-NSHDSACASA-N 1 0 285.307 1.715 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2COCCC23C[NH2+]C3)n1 ZINC001155470668 1167182783 /nfs/dbraw/zinc/18/27/83/1167182783.db2.gz VRUYUBDNALGWSP-LLVKDONJSA-N 1 0 292.339 1.397 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001155522995 1167211701 /nfs/dbraw/zinc/21/17/01/1167211701.db2.gz MCBFDIKMXYTHOZ-UISBYWKRSA-N 1 0 296.302 1.165 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001155618071 1167260732 /nfs/dbraw/zinc/26/07/32/1167260732.db2.gz KWQKSGWKCFNHQD-MFKMUULPSA-N 1 0 296.302 1.452 20 5 CDBDRO CC(C)N(C)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335366657 1167476074 /nfs/dbraw/zinc/47/60/74/1167476074.db2.gz OFGSCLNEAVFSOL-AWEZNQCLSA-N 1 0 281.356 1.558 20 5 CDBDRO C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CO1 ZINC001356610930 1167508459 /nfs/dbraw/zinc/50/84/59/1167508459.db2.gz XPEUXVPFUSHGBZ-QWRGUYRKSA-N 1 0 293.323 1.690 20 5 CDBDRO C[C@@H](OC(=O)[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC001573590852 1170702120 /nfs/dbraw/zinc/70/21/20/1170702120.db2.gz YCSASZOEOPTGRE-BXKDBHETSA-N 1 0 264.281 1.951 20 5 CDBDRO C[C@H](NC(=O)N1CC[NH2+][C@@H]2C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC001579481409 1172194927 /nfs/dbraw/zinc/19/49/27/1172194927.db2.gz OGLQESSJRUDSKO-NDMJEZRESA-N 1 0 290.323 1.412 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2C[NH2+]CC2(C)C)n1 ZINC001579642417 1172232484 /nfs/dbraw/zinc/23/24/84/1172232484.db2.gz FANFSEZSBSMVAF-LLVKDONJSA-N 1 0 278.312 1.026 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])n1 ZINC001579642381 1172232813 /nfs/dbraw/zinc/23/28/13/1172232813.db2.gz CQGZGKLBLSNXSX-TVQRCGJNSA-N 1 0 292.339 1.498 20 5 CDBDRO Cc1cnc(OC[C@H]2C[C@@]3(CC[NH2+]C3)CO2)c([N+](=O)[O-])c1 ZINC001579822645 1172273071 /nfs/dbraw/zinc/27/30/71/1172273071.db2.gz LWQSELAQZZQPGO-BXUZGUMPSA-N 1 0 293.323 1.446 20 5 CDBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(C1)CC[NH2+]CC2 ZINC001580436815 1172436782 /nfs/dbraw/zinc/43/67/82/1172436782.db2.gz SQSRTDXJRSIVAT-UHFFFAOYSA-N 1 0 290.323 1.003 20 5 CDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC1[C@H]2C[NH2+]C[C@@H]12 ZINC001580494254 1172453942 /nfs/dbraw/zinc/45/39/42/1172453942.db2.gz RKJSKFPVVYYIHP-RVFINQJESA-N 1 0 287.319 1.190 20 5 CDBDRO O=C(NC[C@H]1CC[NH2+]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001580660991 1172504893 /nfs/dbraw/zinc/50/48/93/1172504893.db2.gz KHGJRVMKVCKGLI-SECBINFHSA-N 1 0 275.264 1.433 20 5 CDBDRO Cc1nc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000590696185 719249422 /nfs/dbraw/zinc/24/94/22/719249422.db2.gz HKFYNADNVJZKCR-BDAKNGLRSA-N 1 0 265.317 1.222 20 5 CDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000126714990 790339593 /nfs/dbraw/zinc/33/95/93/790339593.db2.gz QMBSXWCSJRIZQQ-ZLDLUXBVSA-N 1 0 293.367 1.701 20 5 CDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700609378 790361167 /nfs/dbraw/zinc/36/11/67/790361167.db2.gz YPVIGCLAKMRODP-VROVMSAKSA-N 1 0 281.699 1.196 20 5 CDBDRO Cc1c(C[NH2+]CC2(CO)CCOCC2)cccc1[N+](=O)[O-] ZINC000873093157 790676131 /nfs/dbraw/zinc/67/61/31/790676131.db2.gz NHWFHFVCYLKYOZ-UHFFFAOYSA-N 1 0 294.351 1.782 20 5 CDBDRO C[NH+](C)CC[C@H](N)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000844917340 790727089 /nfs/dbraw/zinc/72/70/89/790727089.db2.gz ROHNSPMRKRPRCU-ZETCQYMHSA-N 1 0 297.340 1.658 20 5 CDBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCC([NH3+])CC1 ZINC000091845685 790831046 /nfs/dbraw/zinc/83/10/46/790831046.db2.gz QELCWCSIGXOIME-UHFFFAOYSA-N 1 0 291.351 1.866 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000189313829 790837063 /nfs/dbraw/zinc/83/70/63/790837063.db2.gz ZUXANCIOWJJLKK-HTQZYQBOSA-N 1 0 269.326 1.527 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOC[C@H]2O)cc1[N+](=O)[O-] ZINC000872142216 790848316 /nfs/dbraw/zinc/84/83/16/790848316.db2.gz NJNSXJWWRSMATP-MPKXVKKWSA-N 1 0 280.324 1.704 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]1 ZINC000702055446 790854150 /nfs/dbraw/zinc/85/41/50/790854150.db2.gz KBIWWWYHYUEGRV-MRVPVSSYSA-N 1 0 283.715 1.682 20 5 CDBDRO Cc1cnc(N2C[C@H](C)[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000090692671 790903302 /nfs/dbraw/zinc/90/33/02/790903302.db2.gz PXWNVBALKCLXOK-UWVGGRQHSA-N 1 0 250.302 1.485 20 5 CDBDRO C[C@@H]([N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000831020749 790950596 /nfs/dbraw/zinc/95/05/96/790950596.db2.gz VATRUQARXMDXNT-ZWNOBZJWSA-N 1 0 282.340 1.719 20 5 CDBDRO CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCC[N@@H+]1C ZINC000817290472 791012841 /nfs/dbraw/zinc/01/28/41/791012841.db2.gz DAXOIYGRYNBXPO-HUUCEWRRSA-N 1 0 293.367 1.654 20 5 CDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2cccnc2[N+](=O)[O-])C1 ZINC000886216173 791035561 /nfs/dbraw/zinc/03/55/61/791035561.db2.gz YOBIZMFKPFXBOL-JQWIXIFHSA-N 1 0 262.313 1.126 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@H]1c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000822634536 791131824 /nfs/dbraw/zinc/13/18/24/791131824.db2.gz HVXGTBOMNOAJDZ-IONNQARKSA-N 1 0 289.295 1.692 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NCC[N@H+](C)CCO ZINC000884823988 791151698 /nfs/dbraw/zinc/15/16/98/791151698.db2.gz NEFCDFVMVKGFJX-UHFFFAOYSA-N 1 0 253.302 1.239 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000715066157 789870216 /nfs/dbraw/zinc/87/02/16/789870216.db2.gz KUGUDZLSDZCQCM-AOOOYVTPSA-N 1 0 263.297 1.370 20 5 CDBDRO CC[C@H](C)[C@H](O)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843075704 789880534 /nfs/dbraw/zinc/88/05/34/789880534.db2.gz WCHCGFUUOUISCK-GDLCADMTSA-N 1 0 282.340 1.625 20 5 CDBDRO C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H](C)O ZINC000843084321 790040289 /nfs/dbraw/zinc/04/02/89/790040289.db2.gz PJQNWTMUWIXUKJ-UHIISALHSA-N 1 0 282.340 1.625 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH3+])c1C ZINC000884237505 790125570 /nfs/dbraw/zinc/12/55/70/790125570.db2.gz FDYBISKGRLBBQE-QMMMGPOBSA-N 1 0 265.313 1.536 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000307896693 790188808 /nfs/dbraw/zinc/18/88/08/790188808.db2.gz MFUSGINIHBJRMM-LLVKDONJSA-N 1 0 281.287 1.604 20 5 CDBDRO CCOCCCNC(=[NH2+])NCc1cccc([N+](=O)[O-])c1C ZINC000849021794 791218623 /nfs/dbraw/zinc/21/86/23/791218623.db2.gz IBDPFGXBKRIUTI-UHFFFAOYSA-N 1 0 294.355 1.944 20 5 CDBDRO C[C@H]([NH3+])CN(C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701068144 791221506 /nfs/dbraw/zinc/22/15/06/791221506.db2.gz NKFABJAUXYERFO-ZETCQYMHSA-N 1 0 271.704 1.667 20 5 CDBDRO CCC[N@H+](C)C[C@@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000173449651 791227283 /nfs/dbraw/zinc/22/72/83/791227283.db2.gz IQKUGIUWFNJQNL-LBPRGKRZSA-N 1 0 281.360 1.413 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000037286026 791335708 /nfs/dbraw/zinc/33/57/08/791335708.db2.gz JCWDMYQZOBNCLN-LLVKDONJSA-N 1 0 295.314 1.948 20 5 CDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CCC2CC2)CC1 ZINC000996429755 791452796 /nfs/dbraw/zinc/45/27/96/791452796.db2.gz WIKTVIBITMJZKK-CHWSQXEVSA-N 1 0 281.356 1.032 20 5 CDBDRO COc1ccc(CNC2=[NH+]CCCN2C)cc1[N+](=O)[O-] ZINC000848996451 791462918 /nfs/dbraw/zinc/46/29/18/791462918.db2.gz VJGRSCNEBSCTCF-UHFFFAOYSA-N 1 0 278.312 1.385 20 5 CDBDRO C[C@H](O)[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592166 791556339 /nfs/dbraw/zinc/55/63/39/791556339.db2.gz ZOURXEAJIIXAJJ-WHOFXGATSA-N 1 0 294.351 1.721 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700608740 791717881 /nfs/dbraw/zinc/71/78/81/791717881.db2.gz MMDWQWAPXOISCE-LURJTMIESA-N 1 0 257.677 1.325 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000923359545 791834101 /nfs/dbraw/zinc/83/41/01/791834101.db2.gz RKDDHSVJYXQORJ-BPLDGKMQSA-N 1 0 291.351 1.312 20 5 CDBDRO CC(C)(C)[NH2+]CCC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668524 791854573 /nfs/dbraw/zinc/85/45/73/791854573.db2.gz AEKYVUZKFSRKGZ-UHFFFAOYSA-N 1 0 279.340 1.989 20 5 CDBDRO CCOC[C@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000177632944 791889220 /nfs/dbraw/zinc/88/92/20/791889220.db2.gz OKYNJSILXGJTKT-JTQLQIEISA-N 1 0 254.290 1.107 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc([N+](=O)[O-])c1 ZINC000818017209 792032388 /nfs/dbraw/zinc/03/23/88/792032388.db2.gz XGZIGSQFWSDUQS-OAHLLOKOSA-N 1 0 289.335 1.871 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1COCCO1 ZINC000866237833 792047516 /nfs/dbraw/zinc/04/75/16/792047516.db2.gz HWMKKOPGEQTFHX-ZWNOBZJWSA-N 1 0 298.314 1.670 20 5 CDBDRO COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[N@H+](C)C1 ZINC000840358408 792203249 /nfs/dbraw/zinc/20/32/49/792203249.db2.gz AGDRGNNJPKKIIL-LLVKDONJSA-N 1 0 293.323 1.136 20 5 CDBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000714025480 792343803 /nfs/dbraw/zinc/34/38/03/792343803.db2.gz XIBDKAPENULFHC-ZJUUUORDSA-N 1 0 281.287 1.590 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000882959915 792408714 /nfs/dbraw/zinc/40/87/14/792408714.db2.gz TXSLCLGLOMYITI-SNVBAGLBSA-N 1 0 250.302 1.683 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000923359544 792747446 /nfs/dbraw/zinc/74/74/46/792747446.db2.gz RKDDHSVJYXQORJ-AEGPPILISA-N 1 0 291.351 1.312 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000886841437 792868565 /nfs/dbraw/zinc/86/85/65/792868565.db2.gz LIKLPVPFIFFFGS-VXGBXAGGSA-N 1 0 262.313 1.316 20 5 CDBDRO CC[NH+](CC)CCOC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838286342 792892394 /nfs/dbraw/zinc/89/23/94/792892394.db2.gz RIXIIZZZOLCZEI-CYBMUJFWSA-N 1 0 296.323 1.513 20 5 CDBDRO C[C@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])nc1 ZINC000827696696 793088510 /nfs/dbraw/zinc/08/85/10/793088510.db2.gz MZQMHTVWCYWVNA-JTQLQIEISA-N 1 0 250.302 1.886 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000883152635 793176871 /nfs/dbraw/zinc/17/68/71/793176871.db2.gz BSEHZHFRTVFWCC-SNVBAGLBSA-N 1 0 296.302 1.950 20 5 CDBDRO C[C@@H](CCCO)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843118048 793781973 /nfs/dbraw/zinc/78/19/73/793781973.db2.gz ZNLLHJDINWVPPI-SMDDNHRTSA-N 1 0 282.340 1.626 20 5 CDBDRO C[NH2+]CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700600567 793810075 /nfs/dbraw/zinc/81/00/75/793810075.db2.gz UUMQNCVPMULQKC-UHFFFAOYSA-N 1 0 257.677 1.197 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000090360255 793893065 /nfs/dbraw/zinc/89/30/65/793893065.db2.gz XDCCLPBDLGXOIU-GHMZBOCLSA-N 1 0 292.295 1.154 20 5 CDBDRO CC(C)(CCC(=O)OCCC[NH+]1CCCC1)[N+](=O)[O-] ZINC000837925895 794013515 /nfs/dbraw/zinc/01/35/15/794013515.db2.gz ZCUJIFASXVPTQA-UHFFFAOYSA-N 1 0 272.345 1.851 20 5 CDBDRO C[C@@H]1COC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000932493686 794048612 /nfs/dbraw/zinc/04/86/12/794048612.db2.gz CDRNPSWWVOTRLW-MFKMUULPSA-N 1 0 293.323 1.548 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCS(=O)(=O)C2CC2)c1 ZINC000840965113 794112426 /nfs/dbraw/zinc/11/24/26/794112426.db2.gz YKQDGOJEBJOAON-UHFFFAOYSA-N 1 0 284.337 1.262 20 5 CDBDRO C[C@@H]([NH3+])c1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000881209930 794381148 /nfs/dbraw/zinc/38/11/48/794381148.db2.gz NYJSKOPBDCVSQZ-SSDOTTSWSA-N 1 0 265.248 1.393 20 5 CDBDRO COCC[NH2+]CCNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000876792575 794513183 /nfs/dbraw/zinc/51/31/83/794513183.db2.gz RRWWTVKMBZVUHO-UHFFFAOYSA-N 1 0 295.339 1.177 20 5 CDBDRO C[NH+](C)CCCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865401071 794566016 /nfs/dbraw/zinc/56/60/16/794566016.db2.gz GAKFWWXSLSCCHI-UHFFFAOYSA-N 1 0 271.292 1.590 20 5 CDBDRO C[C@]1([NH3+])CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000868078054 794623179 /nfs/dbraw/zinc/62/31/79/794623179.db2.gz IFDZUYVWDPUAGW-ZDUSSCGKSA-N 1 0 297.742 1.740 20 5 CDBDRO O=[N+]([O-])c1c(F)nccc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000882022039 794779624 /nfs/dbraw/zinc/77/96/24/794779624.db2.gz MKJRRGONNDJPHK-SNVBAGLBSA-N 1 0 278.287 1.579 20 5 CDBDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CC[N+](=O)[O-])CC[C@@H]21 ZINC000930553861 795163079 /nfs/dbraw/zinc/16/30/79/795163079.db2.gz YQKHXERLZQUOJP-NEPJUHHUSA-N 1 0 299.371 1.594 20 5 CDBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1C[C@@H](O)C1 ZINC000859970052 795222542 /nfs/dbraw/zinc/22/25/42/795222542.db2.gz NQBAKJACJDUOOC-DDTOSNHZSA-N 1 0 280.324 1.331 20 5 CDBDRO Cn1cc(CN2CC[C@](C[NH3+])(C(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000883439498 795237112 /nfs/dbraw/zinc/23/71/12/795237112.db2.gz STFKRCIPYFSUEM-CQSZACIVSA-N 1 0 295.387 1.525 20 5 CDBDRO C[C@@]1([NH3+])CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000868079510 795396140 /nfs/dbraw/zinc/39/61/40/795396140.db2.gz WCAXSLVIKMOJSL-CQSZACIVSA-N 1 0 277.324 1.477 20 5 CDBDRO CC(C)(C)CC[NH+]1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000127787779 795507260 /nfs/dbraw/zinc/50/72/60/795507260.db2.gz JHTAEYKHIHHETG-UHFFFAOYSA-N 1 0 295.387 1.803 20 5 CDBDRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702057764 795757612 /nfs/dbraw/zinc/75/76/12/795757612.db2.gz ZDUZYESUZFGHIS-QMMMGPOBSA-N 1 0 283.715 1.682 20 5 CDBDRO C[NH2+]CCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701067965 795807432 /nfs/dbraw/zinc/80/74/32/795807432.db2.gz LHEWQXLHZCHCFI-UHFFFAOYSA-N 1 0 271.704 1.588 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@](C)([NH3+])C2)c1 ZINC000868074956 795816671 /nfs/dbraw/zinc/81/66/71/795816671.db2.gz UQYDOXMXYGNEGW-CYBMUJFWSA-N 1 0 279.296 1.167 20 5 CDBDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)O ZINC000843080267 795840909 /nfs/dbraw/zinc/84/09/09/795840909.db2.gz RQTGVDDNZWJRPX-TVYUQYBPSA-N 1 0 268.313 1.377 20 5 CDBDRO Cc1cc(NCC[C@@H]2CC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000092027700 795852360 /nfs/dbraw/zinc/85/23/60/795852360.db2.gz MXDVOSDAZMAMRS-JTQLQIEISA-N 1 0 250.302 1.710 20 5 CDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000261728123 795890277 /nfs/dbraw/zinc/89/02/77/795890277.db2.gz KWMFEKUGFAQUPH-NXEZZACHSA-N 1 0 299.352 1.013 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000878314985 796271272 /nfs/dbraw/zinc/27/12/72/796271272.db2.gz CBNPSUILWPVQMD-SECBINFHSA-N 1 0 292.261 1.984 20 5 CDBDRO CC[C@H](O)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843068318 796387012 /nfs/dbraw/zinc/38/70/12/796387012.db2.gz MGZNDDFMPNWXIC-STQMWFEESA-N 1 0 268.313 1.379 20 5 CDBDRO CON(C)C(=O)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000858325584 796396840 /nfs/dbraw/zinc/39/68/40/796396840.db2.gz FAFMEGACICNHFY-SECBINFHSA-N 1 0 267.285 1.093 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCC(N)=O)c1F ZINC001173189980 912285877 /nfs/dbraw/zinc/28/58/77/912285877.db2.gz SGQBFZTWPBYTFW-QMMMGPOBSA-N 1 0 299.302 1.139 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CC[NH3+] ZINC001121930527 913246216 /nfs/dbraw/zinc/24/62/16/913246216.db2.gz LDBMEWFKTWPRFT-QMMMGPOBSA-N 1 0 283.353 1.784 20 5 CDBDRO C[N@@H+]1CC[C@H](Nc2cnc(Cl)cc2[N+](=O)[O-])C1 ZINC001167273040 895013675 /nfs/dbraw/zinc/01/36/75/895013675.db2.gz OAKWGNYCZFDMQM-ZETCQYMHSA-N 1 0 256.693 1.759 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1ccc2ncccc2c1[N+](=O)[O-] ZINC001167691266 898225187 /nfs/dbraw/zinc/22/51/87/898225187.db2.gz CIMOINPFSIBNAL-UHFFFAOYSA-N 1 0 295.302 1.872 20 5 CDBDRO C[NH2+]CCNc1cc2c(c([N+](=O)[O-])c1)N(C(C)=O)CC2 ZINC001167725914 899417766 /nfs/dbraw/zinc/41/77/66/899417766.db2.gz MQRXYJJWQNBAJF-UHFFFAOYSA-N 1 0 278.312 1.135 20 5 CDBDRO C[NH2+]CCNc1cc(C)c(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC001167726136 899426286 /nfs/dbraw/zinc/42/62/86/899426286.db2.gz SFMTUPIRVNUNIE-UHFFFAOYSA-N 1 0 297.311 1.086 20 5 CDBDRO Cc1cc(F)ccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225345495 902721324 /nfs/dbraw/zinc/72/13/24/902721324.db2.gz AFGOOTHUAAIOSE-GFCCVEGCSA-N 1 0 270.324 1.497 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@@]23CCC[C@@H]2[NH2+]CC3)n1 ZINC000711694851 904020074 /nfs/dbraw/zinc/02/00/74/904020074.db2.gz YWIUGDKEQKXEHI-WCQYABFASA-N 1 0 262.313 1.995 20 5 CDBDRO Cc1cnc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c([N+](=O)[O-])c1 ZINC000711689960 904020421 /nfs/dbraw/zinc/02/04/21/904020421.db2.gz IEBJSPWBNPMUFB-WCQYABFASA-N 1 0 262.313 1.995 20 5 CDBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncncc1[N+](=O)[O-])C2 ZINC001228656747 907536409 /nfs/dbraw/zinc/53/64/09/907536409.db2.gz IYVYTTQMMVHDOW-MYJAWHEDSA-N 1 0 264.285 1.389 20 5 CDBDRO C[N@H+](C[C@@H](O)CO)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904905 912036580 /nfs/dbraw/zinc/03/65/80/912036580.db2.gz PMESAVXSWIMOMB-DZGCQCFKSA-N 1 0 294.351 1.127 20 5 CDBDRO [NH3+]CCN(CCO)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900434 912036725 /nfs/dbraw/zinc/03/67/25/912036725.db2.gz UBHHHVHKKQXVET-AWEZNQCLSA-N 1 0 293.367 1.095 20 5 CDBDRO CC1([NH3+])CN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172906699 912037664 /nfs/dbraw/zinc/03/76/64/912037664.db2.gz OJTIGDNGJWNHJJ-CYBMUJFWSA-N 1 0 275.352 1.875 20 5 CDBDRO CN1CC(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172911008 912103577 /nfs/dbraw/zinc/10/35/77/912103577.db2.gz GPMBHRAWCDXRRH-OAHLLOKOSA-N 1 0 289.379 1.993 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001162396491 922502505 /nfs/dbraw/zinc/50/25/05/922502505.db2.gz JZWQULIZVOSRQD-DTWKUNHWSA-N 1 0 266.301 1.680 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(N[C@@H]2COC[C@@H]2[NH3+])c1F ZINC001162925976 923271866 /nfs/dbraw/zinc/27/18/66/923271866.db2.gz GDHQRMUBHZSJLY-WCBMZHEXSA-N 1 0 255.249 1.180 20 5 CDBDRO C[NH+](C)CC(C)(C)CNc1ccc([N+](=O)[O-])c(C(N)=O)n1 ZINC001168763035 923980152 /nfs/dbraw/zinc/98/01/52/923980152.db2.gz FBFPVUKEVOAULO-UHFFFAOYSA-N 1 0 295.343 1.088 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001163771505 924164538 /nfs/dbraw/zinc/16/45/38/924164538.db2.gz AEHLALYGMPHHJC-SSDOTTSWSA-N 1 0 264.289 1.228 20 5 CDBDRO C[NH2+]C[C@@H](C)c1noc(COc2ccc([N+](=O)[O-])cc2)n1 ZINC000842578585 937062851 /nfs/dbraw/zinc/06/28/51/937062851.db2.gz ZFAHXEXMNDKLFN-SECBINFHSA-N 1 0 292.295 1.880 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])c(NC[C@@]2(F)CCCC[NH2+]C2)c1 ZINC001155115464 926545609 /nfs/dbraw/zinc/54/56/09/926545609.db2.gz PDVNWLPLJDZKGN-GFCCVEGCSA-N 1 0 284.291 1.122 20 5 CDBDRO [NH3+]CCc1cnn(-c2ccc3nsnc3c2[N+](=O)[O-])c1 ZINC001168949569 927556184 /nfs/dbraw/zinc/55/61/84/927556184.db2.gz KQSRVXNCYOQQHV-UHFFFAOYSA-N 1 0 290.308 1.286 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCOc2cccnc2)C1 ZINC001168979237 927565328 /nfs/dbraw/zinc/56/53/28/927565328.db2.gz XRBIVIWKFPRVQU-NEPJUHHUSA-N 1 0 265.313 1.495 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cnn(C)c1 ZINC001168978037 927565692 /nfs/dbraw/zinc/56/56/92/927565692.db2.gz NWRPTMWFSRAGJK-HOSYDEDBSA-N 1 0 252.318 1.516 20 5 CDBDRO COc1ccccc1C(=O)C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168979950 927567468 /nfs/dbraw/zinc/56/74/68/927567468.db2.gz CJOGSEITSZVSBX-NEPJUHHUSA-N 1 0 292.335 1.913 20 5 CDBDRO COc1ccc(CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)nc1 ZINC001168984648 927572847 /nfs/dbraw/zinc/57/28/47/927572847.db2.gz PKPGIXJRLPZXSH-WCQYABFASA-N 1 0 279.340 1.668 20 5 CDBDRO O=C1NCc2ccc(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)cc21 ZINC001168984665 927573376 /nfs/dbraw/zinc/57/33/76/927573376.db2.gz PQASMKBAIGBPAM-YPMHNXCESA-N 1 0 289.335 1.465 20 5 CDBDRO COc1ccc(C(=O)C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168955827 927577213 /nfs/dbraw/zinc/57/72/13/927577213.db2.gz CORJMOIMJZEZKI-YPMHNXCESA-N 1 0 292.335 1.913 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2[C@@H]3C[C@@H]4C[C@H]2C[C@](O)(C3)C4)C1 ZINC001168955505 927578076 /nfs/dbraw/zinc/57/80/76/927578076.db2.gz BBJZPTGJSREUKB-ZYVDXKMPSA-N 1 0 294.395 1.961 20 5 CDBDRO COc1cc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)ccn1 ZINC001168956910 927578092 /nfs/dbraw/zinc/57/80/92/927578092.db2.gz CPOOCOGLFPEURL-NWDGAFQWSA-N 1 0 265.313 1.625 20 5 CDBDRO COC(=O)C1(N[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1 ZINC001168961235 927581792 /nfs/dbraw/zinc/58/17/92/927581792.db2.gz IGTFWLBANBRXLU-ZJUUUORDSA-N 1 0 256.302 1.117 20 5 CDBDRO COc1ncccc1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168966282 927589053 /nfs/dbraw/zinc/58/90/53/927589053.db2.gz HJRWLTOMPBWNJP-PWSUYJOCSA-N 1 0 265.313 1.625 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](CO)c2cccs2)C1 ZINC001168972699 927596120 /nfs/dbraw/zinc/59/61/20/927596120.db2.gz AUGRVJMEHPTTHO-MXWKQRLJSA-N 1 0 270.354 1.817 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(C3CCOCC3)CC2)C1 ZINC001168974397 927597571 /nfs/dbraw/zinc/59/75/71/927597571.db2.gz QCYFEIKNOZTSGN-DGCLKSJQSA-N 1 0 268.357 1.981 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)nc1OC ZINC001168994632 927600906 /nfs/dbraw/zinc/60/09/06/927600906.db2.gz QQBRBELIYXVDBG-MNOVXSKESA-N 1 0 295.339 1.634 20 5 CDBDRO Cc1nnc2ccc(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)cn12 ZINC001168997942 927602582 /nfs/dbraw/zinc/60/25/82/927602582.db2.gz GRQWAOSWESLPBW-YPMHNXCESA-N 1 0 289.339 1.573 20 5 CDBDRO CC(C)CN1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168996011 927604015 /nfs/dbraw/zinc/60/40/15/927604015.db2.gz TZVQSASFVHENIF-MCIONIFRSA-N 1 0 269.389 1.752 20 5 CDBDRO COc1cnccc1CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169002734 927606139 /nfs/dbraw/zinc/60/61/39/927606139.db2.gz MBYLJDRBDDNPGR-DGCLKSJQSA-N 1 0 279.340 1.668 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCOc2ccncc2)C1 ZINC001169004592 927608556 /nfs/dbraw/zinc/60/85/56/927608556.db2.gz RFSJIMLZOHPONH-RYUDHWBXSA-N 1 0 265.313 1.495 20 5 CDBDRO CC(C)[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)(C)CN ZINC001169006438 927610832 /nfs/dbraw/zinc/61/08/32/927610832.db2.gz IFSSVUNJVVYSET-RYUDHWBXSA-N 1 0 257.378 1.880 20 5 CDBDRO O=C1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@H]1F ZINC001169010624 927616130 /nfs/dbraw/zinc/61/61/30/927616130.db2.gz FGAVZWUVQFTFMX-HBNTYKKESA-N 1 0 258.293 1.435 20 5 CDBDRO Cc1nc(CC[N@@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)no1 ZINC001169011261 927617495 /nfs/dbraw/zinc/61/74/95/927617495.db2.gz IZNGPZCDIKYGJJ-QWRGUYRKSA-N 1 0 268.317 1.298 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@H]3CCO)CC2)C1 ZINC001169012894 927619575 /nfs/dbraw/zinc/61/95/75/927619575.db2.gz SLSUTQWSXAKFNQ-MGPQQGTHSA-N 1 0 282.384 1.916 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCN2CCCC(F)(F)C2)C1 ZINC001168986943 927622042 /nfs/dbraw/zinc/62/20/42/927622042.db2.gz GKSBLWMYTXKUAL-VXGBXAGGSA-N 1 0 291.342 1.753 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1cc([N+](=O)[O-])cc(C)c1F ZINC001168989054 927627543 /nfs/dbraw/zinc/62/75/43/927627543.db2.gz FPOHWCDJMDCVDJ-UHFFFAOYSA-N 1 0 279.275 1.433 20 5 CDBDRO COC(=O)[C@]1(C)CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169034235 927641504 /nfs/dbraw/zinc/64/15/04/927641504.db2.gz GHFDXUOJYCXTLA-MBNYWOFBSA-N 1 0 284.356 1.707 20 5 CDBDRO COC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169033673 927642134 /nfs/dbraw/zinc/64/21/34/927642134.db2.gz DHZPEUIQASJJRO-SDDRHHMPSA-N 1 0 270.329 1.317 20 5 CDBDRO COc1ncnc2c1CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169038096 927647688 /nfs/dbraw/zinc/64/76/88/927647688.db2.gz VIAHNFWONLGGIB-QWRGUYRKSA-N 1 0 292.339 1.289 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCc3ncncc3C2)C1 ZINC001169038281 927649519 /nfs/dbraw/zinc/64/95/19/927649519.db2.gz XROUDOBYJWQGBJ-CMPLNLGQSA-N 1 0 262.313 1.280 20 5 CDBDRO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169038321 927650712 /nfs/dbraw/zinc/65/07/12/927650712.db2.gz YCONIEFFOWVLLJ-JHJVBQTASA-N 1 0 284.356 1.707 20 5 CDBDRO CC(=O)N1CCC[C@H]([N@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169041003 927652885 /nfs/dbraw/zinc/65/28/85/927652885.db2.gz AJBOVLOMEJBHGS-MCIONIFRSA-N 1 0 283.372 1.375 20 5 CDBDRO CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169019153 927661080 /nfs/dbraw/zinc/66/10/80/927661080.db2.gz FABWJLSHXQUTFB-UMSGYPCISA-N 1 0 281.356 1.127 20 5 CDBDRO C[C@@H]([NH3+])c1ccn(-c2c(Cl)cncc2[N+](=O)[O-])n1 ZINC001169232529 927846144 /nfs/dbraw/zinc/84/61/44/927846144.db2.gz GRMFZCQOQCMLSU-ZCFIWIBFSA-N 1 0 267.676 1.849 20 5 CDBDRO C[C@H]([NH3+])c1ccn(-c2cc3c(c([N+](=O)[O-])c2)NN(C)C3)n1 ZINC001169237872 927868498 /nfs/dbraw/zinc/86/84/98/927868498.db2.gz RKISQLKSZVPRMM-QMMMGPOBSA-N 1 0 288.311 1.573 20 5 CDBDRO CN1Cc2cc(NCC[C@H]3CCC[NH2+]3)cc([N+](=O)[O-])c2N1 ZINC001169569362 928186426 /nfs/dbraw/zinc/18/64/26/928186426.db2.gz MLPWUFDRNUTWHB-LLVKDONJSA-N 1 0 291.355 1.921 20 5 CDBDRO C=CC(=O)NCCNc1ccccc1C[N+](C)(C)CC ZINC001169804631 928428574 /nfs/dbraw/zinc/42/85/74/928428574.db2.gz KUNQVWKARALKKO-UHFFFAOYSA-O 1 0 276.404 1.997 20 5 CDBDRO CN(c1cccc2ncc([N+](=O)[O-])n21)C(C)(C)C[NH3+] ZINC001170060591 929252916 /nfs/dbraw/zinc/25/29/16/929252916.db2.gz SLPNOOTWRUPLQW-UHFFFAOYSA-N 1 0 263.301 1.416 20 5 CDBDRO [NH3+][C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000129181903 929887780 /nfs/dbraw/zinc/88/77/80/929887780.db2.gz HDMLTFIYBKDARG-JTQLQIEISA-N 1 0 267.260 1.201 20 5 CDBDRO CCOc1cc([N+](=O)[O-])ccc1N[C@@]([NH3+])(CC)CO ZINC001170864417 930511784 /nfs/dbraw/zinc/51/17/84/930511784.db2.gz HVMAEHCGWRWYSW-LBPRGKRZSA-N 1 0 269.301 1.463 20 5 CDBDRO C[C@@H]([NH3+])CCNc1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001159777629 930832589 /nfs/dbraw/zinc/83/25/89/930832589.db2.gz ACFOPIIGLWUBJQ-BREXMAIKSA-N 1 0 279.344 1.671 20 5 CDBDRO COc1cc(C)nc(NCC(C)(C)[NH3+])c1[N+](=O)[O-] ZINC001160025834 931150118 /nfs/dbraw/zinc/15/01/18/931150118.db2.gz YPBUSKKLYZSVQV-UHFFFAOYSA-N 1 0 254.290 1.456 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@H]1c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000823087397 931252419 /nfs/dbraw/zinc/25/24/19/931252419.db2.gz BLKIENBDFWHBMR-HTQZYQBOSA-N 1 0 292.299 1.234 20 5 CDBDRO COc1cnc(NC[C@H]2C[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC001155100981 937635263 /nfs/dbraw/zinc/63/52/63/937635263.db2.gz CWBCYEAGAIMDDC-RKDXNWHRSA-N 1 0 266.301 1.408 20 5 CDBDRO C[C@@H]1C[C@@H](CNc2ncnc3cc([N+](=O)[O-])ccc32)C[NH2+]1 ZINC001155101305 937635265 /nfs/dbraw/zinc/63/52/65/937635265.db2.gz UUNYUFFNYJTWQN-NXEZZACHSA-N 1 0 287.323 1.948 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH+]3CCC2CC3)nc2[nH]ccc21 ZINC001155667857 937662150 /nfs/dbraw/zinc/66/21/50/937662150.db2.gz PLYFIXPOMRLIKC-NSHDSACASA-N 1 0 287.323 1.977 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@H](C)C[NH+](C)C)n1 ZINC001155914013 937688272 /nfs/dbraw/zinc/68/82/72/937688272.db2.gz FJCBEBIZKBORHE-ZCFIWIBFSA-N 1 0 273.724 1.709 20 5 CDBDRO CCC[N@@H+]1CCCC[C@H]1C(=O)OCCC[N+](=O)[O-] ZINC001123001608 936101760 /nfs/dbraw/zinc/10/17/60/936101760.db2.gz YGMXWSIFDNCGQO-NSHDSACASA-N 1 0 258.318 1.461 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]([NH3+])CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001122252833 937915636 /nfs/dbraw/zinc/91/56/36/937915636.db2.gz YXSLIPMSMUDYJL-RNCFNFMXSA-N 1 0 277.324 1.899 20 5 CDBDRO Cc1cc(NC(=O)COC2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC001122511219 937938511 /nfs/dbraw/zinc/93/85/11/937938511.db2.gz IWCDCOHMFYNJIU-UHFFFAOYSA-N 1 0 293.323 1.610 20 5 CDBDRO CC(F)(F)C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001122568535 937942312 /nfs/dbraw/zinc/94/23/12/937942312.db2.gz CCBSUBHEFCCOSE-UHFFFAOYSA-N 1 0 293.295 1.517 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001156039099 938312816 /nfs/dbraw/zinc/31/28/16/938312816.db2.gz MSLOEVCSEWNBAE-UHFFFAOYSA-N 1 0 267.676 1.596 20 5 CDBDRO CSc1nc(Cl)nc(N2CC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001156227917 938336298 /nfs/dbraw/zinc/33/62/98/938336298.db2.gz WVMRRXSUOCOALR-RXMQYKEDSA-N 1 0 289.748 1.298 20 5 CDBDRO [NH3+]CCc1nccn1-c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001156478719 938373142 /nfs/dbraw/zinc/37/31/42/938373142.db2.gz PMTXJSLIMFESSE-UHFFFAOYSA-N 1 0 267.676 1.330 20 5 CDBDRO [NH3+]Cc1cnc2c(ccn2-c2cc([N+](=O)[O-])cc[n+]2[O-])c1 ZINC001156593733 938390296 /nfs/dbraw/zinc/39/02/96/938390296.db2.gz ONGICMVRWKSZRA-UHFFFAOYSA-N 1 0 285.263 1.026 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)cc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001157445958 938492684 /nfs/dbraw/zinc/49/26/84/938492684.db2.gz PBCBBZYDKOECRA-SVRRBLITSA-N 1 0 274.683 1.755 20 5 CDBDRO [NH3+]Cc1cnn(-c2nc3ccccc3cc2[N+](=O)[O-])c1 ZINC001157475042 938498915 /nfs/dbraw/zinc/49/89/15/938498915.db2.gz QZLYEOLCTGUOPY-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCCN1c1nccc(Cl)c1[N+](=O)[O-] ZINC001157734352 938538146 /nfs/dbraw/zinc/53/81/46/938538146.db2.gz VUHWFIMACGGDRA-VXNVDRBHSA-N 1 0 270.720 1.959 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCCN1c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001157741377 938538754 /nfs/dbraw/zinc/53/87/54/938538754.db2.gz KLHYAKCIDLTECB-BXKDBHETSA-N 1 0 287.323 1.854 20 5 CDBDRO O=C(NCCC[NH2+]C/C(Cl)=C/Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767301 938543164 /nfs/dbraw/zinc/54/31/64/938543164.db2.gz KYZVQEPOUZECSR-XOPPAYCJSA-N 1 0 296.154 1.067 20 5 CDBDRO C[NH2+]CCN(c1ncc([N+](=O)[O-])c(C)n1)C(C)(C)C ZINC001157833743 938553882 /nfs/dbraw/zinc/55/38/82/938553882.db2.gz PEILMQVEJKQVIZ-UHFFFAOYSA-N 1 0 267.333 1.518 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1ncc(Cl)cc1[N+](=O)[O-] ZINC001158126103 938585790 /nfs/dbraw/zinc/58/57/90/938585790.db2.gz MRKYDWVXDJTYLR-UHFFFAOYSA-N 1 0 282.691 1.034 20 5 CDBDRO COc1nc(-n2ccc([C@@H](C)[NH3+])n2)ccc1[N+](=O)[O-] ZINC001158348194 938611459 /nfs/dbraw/zinc/61/14/59/938611459.db2.gz CWLLQUHGVQDJLU-SSDOTTSWSA-N 1 0 263.257 1.204 20 5 CDBDRO [NH3+]Cc1ccn(-c2ccc3[nH]cc([N+](=O)[O-])c3n2)c1 ZINC001158767409 938661685 /nfs/dbraw/zinc/66/16/85/938661685.db2.gz VKJJOLUCKGWUMO-UHFFFAOYSA-N 1 0 257.253 1.721 20 5 CDBDRO COc1nc(N2CCC3(C[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC001159041855 938695302 /nfs/dbraw/zinc/69/53/02/938695302.db2.gz GFSBHGYJBIDCFF-UHFFFAOYSA-N 1 0 278.312 1.188 20 5 CDBDRO COc1cnc(N(C)C(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC001159054499 938698063 /nfs/dbraw/zinc/69/80/63/938698063.db2.gz LXVZQCBLGUEQGO-UHFFFAOYSA-N 1 0 254.290 1.172 20 5 CDBDRO O=[N+]([O-])c1ccc2ccc(N[C@@H]3C[NH2+]C[C@H]3CO)nc2c1 ZINC001159673063 938744197 /nfs/dbraw/zinc/74/41/97/938744197.db2.gz UMUBABQCTFPMCN-GXFFZTMASA-N 1 0 288.307 1.135 20 5 CDBDRO N=c1ncc(C[NH3+])cn1-c1nccc2cc([N+](=O)[O-])ccc21 ZINC001161420653 938902143 /nfs/dbraw/zinc/90/21/43/938902143.db2.gz GPXUQTNKMQAARQ-UHFFFAOYSA-N 1 0 296.290 1.267 20 5 CDBDRO COc1ccc(NCCCC[NH+](C)C)nc1[N+](=O)[O-] ZINC001161724407 938926586 /nfs/dbraw/zinc/92/65/86/938926586.db2.gz GWONTOFYDLHTGL-UHFFFAOYSA-N 1 0 268.317 1.752 20 5 CDBDRO COCCC1([NH3+])CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC001162042168 938953552 /nfs/dbraw/zinc/95/35/52/938953552.db2.gz YLDLGNJMZNRQMU-UHFFFAOYSA-N 1 0 298.318 1.463 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(-n2c(C[NH3+])nc3cnccc32)n1 ZINC001162215542 938962857 /nfs/dbraw/zinc/96/28/57/938962857.db2.gz GWZPJROUHPTMFI-UHFFFAOYSA-N 1 0 298.306 1.799 20 5 CDBDRO C[C@@]1([NH3+])C[C@H](Nc2cc(Cl)cc([N+](=O)[O-])n2)C1 ZINC001162327776 939024141 /nfs/dbraw/zinc/02/41/41/939024141.db2.gz FAQKFTUVQBOTLR-WKFQBHICSA-N 1 0 256.693 1.935 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)nc2[nH]ccc21 ZINC001162796730 939143763 /nfs/dbraw/zinc/14/37/63/939143763.db2.gz GFEKORTWMZGUIW-INTQDDNPSA-N 1 0 285.307 1.657 20 5 CDBDRO O=[N+]([O-])c1ccc(NCC[C@@H]2CCOC23C[NH2+]C3)nc1 ZINC001163079557 939192818 /nfs/dbraw/zinc/19/28/18/939192818.db2.gz BHYIOFHYBRNKSU-SNVBAGLBSA-N 1 0 278.312 1.170 20 5 CDBDRO Nc1ccnc(N[C@H]2C[NH2+]Cc3ccsc32)c1[N+](=O)[O-] ZINC001163226558 939228952 /nfs/dbraw/zinc/22/89/52/939228952.db2.gz IZRHVKUWVAGTFP-VIFPVBQESA-N 1 0 291.336 1.890 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC001163262385 939235167 /nfs/dbraw/zinc/23/51/67/939235167.db2.gz ADXYCNBYITYKTB-VWYCJHECSA-N 1 0 262.313 1.708 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ncc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001163337702 939250909 /nfs/dbraw/zinc/25/09/09/939250909.db2.gz WKBYAIFVZHRJLV-ZYAQMDEOSA-N 1 0 284.703 1.184 20 5 CDBDRO O=[N+]([O-])c1nccnc1N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001163646826 939297700 /nfs/dbraw/zinc/29/77/00/939297700.db2.gz WVDONLUSOAWOHT-GXFFZTMASA-N 1 0 293.327 1.098 20 5 CDBDRO C[C@]1(C[NH3+])CCCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001164246492 939441005 /nfs/dbraw/zinc/44/10/05/939441005.db2.gz APXBANTYVMSDRG-ZDUSSCGKSA-N 1 0 279.344 1.527 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1-n1cnc2c1C[NH2+]CC2 ZINC001164310221 939451519 /nfs/dbraw/zinc/45/15/19/939451519.db2.gz MKFMVQLNOWLVDO-UHFFFAOYSA-N 1 0 279.687 1.475 20 5 CDBDRO CCOc1nc(-n2ncc3c2CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001165220718 939526922 /nfs/dbraw/zinc/52/69/22/939526922.db2.gz YXKVULMFNYIACY-UHFFFAOYSA-N 1 0 289.295 1.220 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CCNc2c(F)c([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001165262602 939536189 /nfs/dbraw/zinc/53/61/89/939536189.db2.gz YCIKBVFUNVNUCX-JTQLQIEISA-N 1 0 298.318 1.511 20 5 CDBDRO Cn1cc(NCC[C@@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1=O ZINC001165279180 939539672 /nfs/dbraw/zinc/53/96/72/939539672.db2.gz QDUAVFNCHFUUNQ-NSHDSACASA-N 1 0 294.355 1.437 20 5 CDBDRO [NH3+][C@]12C[C@H]1CN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)C2 ZINC001165315039 939544470 /nfs/dbraw/zinc/54/44/70/939544470.db2.gz DFMABULDQDBANU-NHYWBVRUSA-N 1 0 297.318 1.589 20 5 CDBDRO CC(C)Oc1nc(N2CCC[C@H]3[NH2+]C[C@@H]32)ccc1[N+](=O)[O-] ZINC001165393967 939557784 /nfs/dbraw/zinc/55/77/84/939557784.db2.gz GXDONPWGVNWERU-PWSUYJOCSA-N 1 0 292.339 1.718 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001165393420 939557795 /nfs/dbraw/zinc/55/77/95/939557795.db2.gz SVIHSWCSEIJOGM-AAEUAGOBSA-N 1 0 285.307 1.479 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N(C)C[C@@H]2CC[NH2+]C2)n1 ZINC001166954570 939658453 /nfs/dbraw/zinc/65/84/53/939658453.db2.gz DIGFCSLTFBPCGD-MRVPVSSYSA-N 1 0 285.735 1.392 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCCOC(=O)c1ccccc1 ZINC001206527314 940054333 /nfs/dbraw/zinc/05/43/33/940054333.db2.gz BRUUOZQEQPKRTL-CYBMUJFWSA-N 1 0 266.361 1.955 20 5 CDBDRO C[C@@H](C[NH+](C)C)OCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001223488527 941681608 /nfs/dbraw/zinc/68/16/08/941681608.db2.gz PINXDKSSHRMSDG-VIFPVBQESA-N 1 0 283.284 1.970 20 5 CDBDRO CCOC(=O)c1cc(CO[C@H](C)C[N+](C)(C)C)ccn1 ZINC001224131506 941722534 /nfs/dbraw/zinc/72/25/34/941722534.db2.gz YNRTUULBAVCFPB-GFCCVEGCSA-N 1 0 281.376 1.870 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCC1CN(C(=O)OC(C)(C)C)C1 ZINC001224447306 941755557 /nfs/dbraw/zinc/75/55/57/941755557.db2.gz WEBHCHRSRMZZFP-LBPRGKRZSA-N 1 0 287.424 1.965 20 5 CDBDRO Cc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc1F ZINC001225320423 941844361 /nfs/dbraw/zinc/84/43/61/941844361.db2.gz ACNPYGVKQCGVLE-LLVKDONJSA-N 1 0 270.324 1.497 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225666154 941897069 /nfs/dbraw/zinc/89/70/69/941897069.db2.gz GXONDMGDZIRDIW-MRVPVSSYSA-N 1 0 253.258 1.168 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cc2c(nn1)CCCC2 ZINC001226559273 942026081 /nfs/dbraw/zinc/02/60/81/942026081.db2.gz SVLQFNQFFKRLAJ-NSHDSACASA-N 1 0 250.366 1.829 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ncncc1Br ZINC001226569107 942027632 /nfs/dbraw/zinc/02/76/32/942027632.db2.gz VLZCEIGQYIKTBT-MRVPVSSYSA-N 1 0 275.170 1.713 20 5 CDBDRO COc1cc(O[C@H]2CCC[N@H+](C)CC2)ncc1[N+](=O)[O-] ZINC001226581523 942030376 /nfs/dbraw/zinc/03/03/76/942030376.db2.gz SRRFEHHBRSXOJA-JTQLQIEISA-N 1 0 281.312 1.862 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOc2ccc(C)nc2[N+](=O)[O-])C1 ZINC001227224018 942153027 /nfs/dbraw/zinc/15/30/27/942153027.db2.gz SIXDBRZAIWNRAI-LLVKDONJSA-N 1 0 281.312 1.398 20 5 CDBDRO Cc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(F)c1 ZINC001228380158 942307312 /nfs/dbraw/zinc/30/73/12/942307312.db2.gz ALTPXSIDWSUMMM-LLVKDONJSA-N 1 0 270.324 1.497 20 5 CDBDRO Cc1[nH]c(=O)cc(O[C@@H](C)C[N+](C)(C)C)c1[N+](=O)[O-] ZINC001228688127 942358866 /nfs/dbraw/zinc/35/88/66/942358866.db2.gz FDWJRVSLSPWUMW-QMMMGPOBSA-O 1 0 270.309 1.477 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1n[nH]c(=O)c2cccnc21 ZINC001228707710 942365107 /nfs/dbraw/zinc/36/51/07/942365107.db2.gz BYEJNEIMZRYJHJ-SECBINFHSA-O 1 0 263.321 1.204 20 5 CDBDRO COc1ccc(F)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001228785842 942377045 /nfs/dbraw/zinc/37/70/45/942377045.db2.gz DHVZOHWCOZMOTN-SNVBAGLBSA-N 1 0 286.323 1.197 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000721995996 943577443 /nfs/dbraw/zinc/57/74/43/943577443.db2.gz HXFUNIFRGOPKCL-SNVBAGLBSA-N 1 0 281.312 1.088 20 5 CDBDRO COC(=O)C(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001234446431 943841515 /nfs/dbraw/zinc/84/15/15/943841515.db2.gz XXQFFXKXSBOSSH-NSHDSACASA-N 1 0 280.344 1.516 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(O[C@@H]2CC[N@H+](C)C2)n1 ZINC001234880273 943965645 /nfs/dbraw/zinc/96/56/45/943965645.db2.gz ZWRCQDJRCDRYMS-MRVPVSSYSA-N 1 0 253.258 1.081 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261632306 946202415 /nfs/dbraw/zinc/20/24/15/946202415.db2.gz XCOQMHVGHCACMG-VIFPVBQESA-N 1 0 278.312 1.228 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC(=O)N1C ZINC001254538757 947516081 /nfs/dbraw/zinc/51/60/81/947516081.db2.gz AKYIBOYVYFKACU-WCQYABFASA-N 1 0 291.351 1.736 20 5 CDBDRO CC(C)(CO)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254565607 947528381 /nfs/dbraw/zinc/52/83/81/947528381.db2.gz DRPOXOGETAJPLD-GFCCVEGCSA-N 1 0 264.325 1.670 20 5 CDBDRO CC(=O)N1CC[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254577190 947535207 /nfs/dbraw/zinc/53/52/07/947535207.db2.gz CSCHOVIZZZFQTI-UONOGXRCSA-N 1 0 289.335 1.272 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@H]3OCC[C@H]31)C2 ZINC001254595439 947547020 /nfs/dbraw/zinc/54/70/20/947547020.db2.gz XJCOLOAAUQBBOW-RRFJBIMHSA-N 1 0 274.320 1.925 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC3(COC3)C1)C2 ZINC001254599675 947550236 /nfs/dbraw/zinc/55/02/36/947550236.db2.gz OJIYIPIRJMNBHN-CYBMUJFWSA-N 1 0 260.293 1.394 20 5 CDBDRO C[C@H]1CC[C@H](N[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[NH2+]1 ZINC001246080061 947931975 /nfs/dbraw/zinc/93/19/75/947931975.db2.gz MUTWFIORBVQKPJ-LEWSCRJBSA-N 1 0 275.352 1.792 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[C@H]3[NH2+]CC[C@H]31)C2 ZINC001246633325 948370254 /nfs/dbraw/zinc/37/02/54/948370254.db2.gz CEEZSYIWCAEWGR-RRFJBIMHSA-N 1 0 273.336 1.498 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246857046 948482787 /nfs/dbraw/zinc/48/27/87/948482787.db2.gz ZIRPLBGRLUBDOD-UXIGCNINSA-N 1 0 275.352 1.949 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1C[C@H]3C[NH2+]C[C@H]31)CC2 ZINC001246917130 948518981 /nfs/dbraw/zinc/51/89/81/948518981.db2.gz KBAGLDSWPDHUQU-IIAWOOMASA-N 1 0 287.363 1.746 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC001326454058 954389788 /nfs/dbraw/zinc/38/97/88/954389788.db2.gz XSEUMQIWXZKNDE-VHSXEESVSA-N 1 0 292.339 1.494 20 5 CDBDRO CC[N@H+](C)C[C@@H](O)CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327054374 954680528 /nfs/dbraw/zinc/68/05/28/954680528.db2.gz SYIFYYWBQKTCKV-CQSZACIVSA-N 1 0 279.340 1.223 20 5 CDBDRO CCC[NH2+][C@H](C)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328189052 955218788 /nfs/dbraw/zinc/21/87/88/955218788.db2.gz CGTISARBINNGJR-SNVBAGLBSA-N 1 0 277.324 1.825 20 5 CDBDRO CC[NH+](CC)CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001304500699 956197637 /nfs/dbraw/zinc/19/76/37/956197637.db2.gz LZINZDLZHKGANU-UHFFFAOYSA-N 1 0 280.328 1.766 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC001330084035 956267605 /nfs/dbraw/zinc/26/76/05/956267605.db2.gz CJFZFRPVDMTCQP-QVSJOPQTSA-N 1 0 289.335 1.688 20 5 CDBDRO Cc1ccc(CN[C@H](C)c2nnnn2C)cc1[N+](=O)[O-] ZINC001308136376 956475913 /nfs/dbraw/zinc/47/59/13/956475913.db2.gz VDWJDXPLHBTZFR-SECBINFHSA-N 1 0 276.300 1.278 20 5 CDBDRO CCn1ncnc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC001308747401 956572178 /nfs/dbraw/zinc/57/21/78/956572178.db2.gz PSBGWODVWDSMDK-UHFFFAOYSA-N 1 0 290.327 1.172 20 5 CDBDRO CC(C)[C@](C)(O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335421780 959792614 /nfs/dbraw/zinc/79/26/14/959792614.db2.gz MDSRTRRXUIQYHG-ZIAGYGMSSA-N 1 0 282.340 1.625 20 5 CDBDRO C[C@H](CC[NH2+]CC[N+](=O)[O-])N(C)C(=O)OC(C)(C)C ZINC001336294682 960291399 /nfs/dbraw/zinc/29/13/99/960291399.db2.gz JJYGFZPBMONDER-SNVBAGLBSA-N 1 0 275.349 1.498 20 5 CDBDRO CC(C)[NH2+]C1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2C)CC1 ZINC001339669716 962481365 /nfs/dbraw/zinc/48/13/65/962481365.db2.gz USDNNMKFOSUQLJ-JTQLQIEISA-N 1 0 296.375 1.120 20 5 CDBDRO O=C(NCC[C@@H]1CSCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC001341149846 963297720 /nfs/dbraw/zinc/29/77/20/963297720.db2.gz RBUSBHKYAULXOS-LLVKDONJSA-N 1 0 295.364 1.420 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC1([NH3+])CC1 ZINC001341300348 963358686 /nfs/dbraw/zinc/35/86/86/963358686.db2.gz AAQUTXWKMQCTML-UHFFFAOYSA-N 1 0 263.297 1.433 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC001341739330 963525070 /nfs/dbraw/zinc/52/50/70/963525070.db2.gz GHSFFUDSQOQHHQ-SKZLGDCLSA-N 1 0 275.308 1.380 20 5 CDBDRO CN(C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC001341778375 963538705 /nfs/dbraw/zinc/53/87/05/963538705.db2.gz QYFULSIWQRXJSF-FFKWVLBGSA-N 1 0 289.335 1.646 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001342362930 963721539 /nfs/dbraw/zinc/72/15/39/963721539.db2.gz LLCSQKIZOZFLFI-MWQHPAIMSA-N 1 0 289.335 1.646 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N1CCC[C@@H]([NH+](C)C)C1 ZINC001343336006 963954055 /nfs/dbraw/zinc/95/40/55/963954055.db2.gz LBPVNAYUFVOADC-LLVKDONJSA-N 1 0 264.329 1.829 20 5 CDBDRO O=C([C@@H]1CCCCC[NH2+]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001349419179 966344954 /nfs/dbraw/zinc/34/49/54/966344954.db2.gz YUQNJTSSCIIJQR-AWEZNQCLSA-N 1 0 289.335 1.969 20 5 CDBDRO CC(C)(C)CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001200473000 968289213 /nfs/dbraw/zinc/28/92/13/968289213.db2.gz XJIHEDAXGXGGET-CHWSQXEVSA-N 1 0 297.399 1.668 20 5 CDBDRO C[C@@H](NC(=O)C1(C)C[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001522745643 970547160 /nfs/dbraw/zinc/54/71/60/970547160.db2.gz WGEWDNYSJKBUFN-SECBINFHSA-N 1 0 263.297 1.382 20 5 CDBDRO Cc1ccnc(N2CC([N@@H+](C)[C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001158725427 1163490750 /nfs/dbraw/zinc/49/07/50/1163490750.db2.gz JTMRILPUBGEFJJ-NSHDSACASA-N 1 0 292.339 1.208 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](C)C(C)(C)C1 ZINC000601187078 342489419 /nfs/dbraw/zinc/48/94/19/342489419.db2.gz NKOXTMSEKGHOLH-UHFFFAOYSA-N 1 0 281.360 1.650 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCCOC1 ZINC000131913005 341992354 /nfs/dbraw/zinc/99/23/54/341992354.db2.gz ZKCOYTMAEMELOH-GFCCVEGCSA-N 1 0 295.339 1.115 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])s3)C[C@H]2C1 ZINC000618686189 349508583 /nfs/dbraw/zinc/50/85/83/349508583.db2.gz XVDPIYXCNKXVAY-DTORHVGOSA-N 1 0 253.327 1.654 20 5 CDBDRO CC[C@@H](C)[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000273049470 192030327 /nfs/dbraw/zinc/03/03/27/192030327.db2.gz HOVYEBDSLQQNMM-SNVBAGLBSA-N 1 0 267.333 1.249 20 5 CDBDRO [NH3+]CC[C@@H]1CCCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000070171287 361742094 /nfs/dbraw/zinc/74/20/94/361742094.db2.gz SUWRHNQUBUUUQV-VIFPVBQESA-N 1 0 295.368 1.869 20 5 CDBDRO CCC1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000233031200 342035717 /nfs/dbraw/zinc/03/57/17/342035717.db2.gz VRAXIOTWWXGLDC-CYBMUJFWSA-N 1 0 296.371 1.712 20 5 CDBDRO O=C1CCN(C[NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000273063927 192033801 /nfs/dbraw/zinc/03/38/01/192033801.db2.gz JMKNYKAUWQDIRH-UHFFFAOYSA-N 1 0 277.324 1.349 20 5 CDBDRO C[NH2+]CCCn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000122546206 342064711 /nfs/dbraw/zinc/06/47/11/342064711.db2.gz FVNALFSPMVYLPS-UHFFFAOYSA-N 1 0 261.285 1.463 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000135359644 342070595 /nfs/dbraw/zinc/07/05/95/342070595.db2.gz PROKOLDYSISEMQ-JQWIXIFHSA-N 1 0 277.324 1.855 20 5 CDBDRO COc1ccc(NC(=O)CC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000136477500 342071516 /nfs/dbraw/zinc/07/15/16/342071516.db2.gz KIQUUVLGAAWGLR-UHFFFAOYSA-N 1 0 279.296 1.684 20 5 CDBDRO COc1ccc(NC(=O)C[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000136480910 342071536 /nfs/dbraw/zinc/07/15/36/342071536.db2.gz OVVHURZVHHVQTA-UHFFFAOYSA-N 1 0 265.269 1.294 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2cccnc2[N+](=O)[O-])C1 ZINC000609039110 342087933 /nfs/dbraw/zinc/08/79/33/342087933.db2.gz IYCLEEHFZPHZMQ-SNVBAGLBSA-N 1 0 250.302 1.520 20 5 CDBDRO C[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000590801465 342597662 /nfs/dbraw/zinc/59/76/62/342597662.db2.gz PXNOREBYMDPZCI-JTQLQIEISA-N 1 0 280.328 1.344 20 5 CDBDRO COc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000609200978 342096180 /nfs/dbraw/zinc/09/61/80/342096180.db2.gz PMMMKFZYWUIKIS-NSHDSACASA-N 1 0 293.323 1.171 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000591063317 342614803 /nfs/dbraw/zinc/61/48/03/342614803.db2.gz OVKSQLXRFXXAFT-CYBMUJFWSA-N 1 0 291.351 1.879 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH2+]C1CC1 ZINC000591271700 342623608 /nfs/dbraw/zinc/62/36/08/342623608.db2.gz ZUJVSXCOAFDCMT-UHFFFAOYSA-N 1 0 278.312 1.777 20 5 CDBDRO O=[N+]([O-])c1cc(CN2CC[C@H]3CC[NH2+][C@H]3C2)cs1 ZINC000591448500 342632761 /nfs/dbraw/zinc/63/27/61/342632761.db2.gz JINWPUIBDNWOPO-MNOVXSKESA-N 1 0 267.354 1.840 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H]4CC[NH2+][C@H]4C3)c2c1 ZINC000591439883 342632155 /nfs/dbraw/zinc/63/21/55/342632155.db2.gz ZRLLJIJKMJUDDQ-HZMBPMFUSA-N 1 0 299.334 1.726 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)c1ccccc1[N+](=O)[O-] ZINC000311027776 342143779 /nfs/dbraw/zinc/14/37/79/342143779.db2.gz DJPJDBIWSZVHMN-SECBINFHSA-N 1 0 251.286 1.452 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000591680721 342641678 /nfs/dbraw/zinc/64/16/78/342641678.db2.gz AKOZLPGMFXEJIS-UHFFFAOYSA-N 1 0 292.339 1.290 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccoc2)c1 ZINC000591728517 342644698 /nfs/dbraw/zinc/64/46/98/342644698.db2.gz PLJBPJJURAGUOF-ZDUSSCGKSA-N 1 0 292.291 1.717 20 5 CDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCC2CC2)cc1 ZINC000591744853 342645150 /nfs/dbraw/zinc/64/51/50/342645150.db2.gz SGSNEOQRHZONSQ-UHFFFAOYSA-N 1 0 298.364 1.758 20 5 CDBDRO CC1([NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000592330633 342685318 /nfs/dbraw/zinc/68/53/18/342685318.db2.gz AFJGVFUHQFDCSC-UHFFFAOYSA-N 1 0 263.297 1.548 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[C@@H]1[NH3+] ZINC000592332566 342685439 /nfs/dbraw/zinc/68/54/39/342685439.db2.gz LLGBZQCWRUXJDQ-KOLCDFICSA-N 1 0 292.339 1.376 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000592428609 342695150 /nfs/dbraw/zinc/69/51/50/342695150.db2.gz GESOCOTXLDGCQE-XARUKTKKSA-N 1 0 291.351 1.656 20 5 CDBDRO C[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000061031480 342157256 /nfs/dbraw/zinc/15/72/56/342157256.db2.gz MQWZORTVVBOTLA-UHFFFAOYSA-N 1 0 293.323 1.184 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000592544922 342708626 /nfs/dbraw/zinc/70/86/26/342708626.db2.gz KBEHKCRIXDGFRJ-RYUDHWBXSA-N 1 0 289.335 1.727 20 5 CDBDRO O=C([C@H]1CC[NH2+]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000592966014 342750864 /nfs/dbraw/zinc/75/08/64/342750864.db2.gz RTCHDBGDNUQTCY-CYBMUJFWSA-N 1 0 275.308 1.448 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000262816426 361923076 /nfs/dbraw/zinc/92/30/76/361923076.db2.gz PCVVYDWXQDHOTQ-KCJUWKMLSA-N 1 0 297.742 1.976 20 5 CDBDRO CCOC(=O)CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000594049569 342865080 /nfs/dbraw/zinc/86/50/80/342865080.db2.gz AYVOEADDYANOKS-UHFFFAOYSA-N 1 0 298.343 1.455 20 5 CDBDRO C[C@H](O)CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000594065457 342870112 /nfs/dbraw/zinc/87/01/12/342870112.db2.gz PQTZPKRIOJTQMM-VIFPVBQESA-N 1 0 293.323 1.039 20 5 CDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1COCCN1 ZINC000600677946 342241955 /nfs/dbraw/zinc/24/19/55/342241955.db2.gz LSWAARQDTXZDSX-OCCSQVGLSA-N 1 0 293.367 1.494 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1COCC[NH2+]1 ZINC000600677060 342241963 /nfs/dbraw/zinc/24/19/63/342241963.db2.gz AWABPRRRWZVFAW-LBPRGKRZSA-N 1 0 295.339 1.072 20 5 CDBDRO O=C1CCC[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])N1 ZINC000594503989 342914558 /nfs/dbraw/zinc/91/45/58/342914558.db2.gz LCWGXDSZMXCTCP-ZWNOBZJWSA-N 1 0 289.335 1.840 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000092954243 342270469 /nfs/dbraw/zinc/27/04/69/342270469.db2.gz YDOOCJNJFBPXOX-ZYHUDNBSSA-N 1 0 277.324 1.551 20 5 CDBDRO C[NH2+]C(C)(C)c1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000594641122 342939795 /nfs/dbraw/zinc/93/97/95/342939795.db2.gz VESGPNCBRCMZJJ-UHFFFAOYSA-N 1 0 261.285 1.630 20 5 CDBDRO Cc1cccc(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000127802993 342285523 /nfs/dbraw/zinc/28/55/23/342285523.db2.gz NXOHGBJRRRRYCS-JQWIXIFHSA-N 1 0 293.323 1.091 20 5 CDBDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611931592 346910314 /nfs/dbraw/zinc/91/03/14/346910314.db2.gz BGWZDBQYMXGZJT-NXEZZACHSA-N 1 0 296.323 1.615 20 5 CDBDRO O=C(NCCC[NH+]1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000600962563 342301797 /nfs/dbraw/zinc/30/17/97/342301797.db2.gz GPBADKAOWYTBQS-UHFFFAOYSA-N 1 0 295.314 1.950 20 5 CDBDRO C[C@@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000595228598 343009342 /nfs/dbraw/zinc/00/93/42/343009342.db2.gz DHYLYTHOSZQIPO-MNOVXSKESA-N 1 0 293.323 1.169 20 5 CDBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000108303863 349734185 /nfs/dbraw/zinc/73/41/85/349734185.db2.gz OEQXNOXSCOOKAB-JTQLQIEISA-N 1 0 279.296 1.402 20 5 CDBDRO Cc1noc(CN(C)CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000595311675 343033587 /nfs/dbraw/zinc/03/35/87/343033587.db2.gz FQTASECNJKOBBU-UHFFFAOYSA-N 1 0 268.317 1.419 20 5 CDBDRO CC[NH+]1CCC(N(C)Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595346836 343044708 /nfs/dbraw/zinc/04/47/08/343044708.db2.gz MGBMUYQYCJWNBC-UHFFFAOYSA-N 1 0 282.344 1.807 20 5 CDBDRO Cc1noc(C[NH2+][C@H](CO)C2CCCCC2)c1[N+](=O)[O-] ZINC000595432392 343058884 /nfs/dbraw/zinc/05/88/84/343058884.db2.gz USQPPDCNAOBVHQ-LLVKDONJSA-N 1 0 283.328 1.922 20 5 CDBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000076268880 342320292 /nfs/dbraw/zinc/32/02/92/342320292.db2.gz MMEHOIUJDRFNHO-VHSXEESVSA-N 1 0 294.359 1.499 20 5 CDBDRO CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000118358612 342320381 /nfs/dbraw/zinc/32/03/81/342320381.db2.gz TZTBDDXLEXKVET-UHFFFAOYSA-N 1 0 265.313 1.745 20 5 CDBDRO Cc1noc(C[N@@H+]2CC[C@H](O)C23CCCC3)c1[N+](=O)[O-] ZINC000595499899 343078090 /nfs/dbraw/zinc/07/80/90/343078090.db2.gz HEZWVAAZVYZIQB-NSHDSACASA-N 1 0 281.312 1.771 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000595941272 343203782 /nfs/dbraw/zinc/20/37/82/343203782.db2.gz CQTYFYDEPLGDAJ-UHFFFAOYSA-N 1 0 265.313 1.333 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000595984966 343211589 /nfs/dbraw/zinc/21/15/89/343211589.db2.gz ZBIKOOOFUDIMEF-NSHDSACASA-N 1 0 294.355 1.511 20 5 CDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC(C)(C)[NH3+] ZINC000595902581 343187416 /nfs/dbraw/zinc/18/74/16/343187416.db2.gz SOZACWMKVVGRRW-JTQLQIEISA-N 1 0 294.355 1.591 20 5 CDBDRO C[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000596079050 343227268 /nfs/dbraw/zinc/22/72/68/343227268.db2.gz XIFBBOKBIMUWSC-MNOVXSKESA-N 1 0 293.371 1.526 20 5 CDBDRO Nc1ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)nc1[N+](=O)[O-] ZINC000596134997 343239737 /nfs/dbraw/zinc/23/97/37/343239737.db2.gz QVOFQGRQJUMWFT-NSHDSACASA-N 1 0 291.355 1.494 20 5 CDBDRO CS[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000596176432 343260683 /nfs/dbraw/zinc/26/06/83/343260683.db2.gz AEEUGKVEFKXBMT-NXEZZACHSA-N 1 0 298.368 1.177 20 5 CDBDRO Cc1cc(NCC[C@@H](C)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000596427984 343312427 /nfs/dbraw/zinc/31/24/27/343312427.db2.gz CKUPAFIBUJRKPC-SNVBAGLBSA-N 1 0 252.318 1.472 20 5 CDBDRO C[NH2+]C[C@H](C)N[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000596654662 343372110 /nfs/dbraw/zinc/37/21/10/343372110.db2.gz LHSUXDJNTNNSMF-TUAOUCFPSA-N 1 0 281.360 1.473 20 5 CDBDRO CCC[N@H+](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000140211733 342434134 /nfs/dbraw/zinc/43/41/34/342434134.db2.gz HORYOOFYVSLPQR-UHFFFAOYSA-N 1 0 251.286 1.875 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@H](C)C[NH2+]1 ZINC000212555610 342439030 /nfs/dbraw/zinc/43/90/30/342439030.db2.gz NCFJHICIVGXZDX-OBBGCOQJSA-N 1 0 289.335 1.817 20 5 CDBDRO O=C1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@H]2CCCCN12 ZINC000453626375 252329704 /nfs/dbraw/zinc/32/97/04/252329704.db2.gz LCLNUXFTWQBWLG-TZMCWYRMSA-N 1 0 289.335 1.838 20 5 CDBDRO COC[C@](C)(O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000382576238 362250459 /nfs/dbraw/zinc/25/04/59/362250459.db2.gz UFLINIYRMUHXBE-BXUZGUMPSA-N 1 0 282.340 1.951 20 5 CDBDRO C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000598645359 343855629 /nfs/dbraw/zinc/85/56/29/343855629.db2.gz HVSCVSQZSSQVSA-CHWSQXEVSA-N 1 0 294.351 1.924 20 5 CDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000598668956 343871824 /nfs/dbraw/zinc/87/18/24/343871824.db2.gz DOKPJYAUFQLHLJ-LKFCYVNXSA-N 1 0 293.298 1.687 20 5 CDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1ccc(F)cc1[N+](=O)[O-])C2 ZINC000598670300 343872380 /nfs/dbraw/zinc/87/23/80/343872380.db2.gz UCHHNLQGJXYVFA-YMTOWFKASA-N 1 0 293.298 1.687 20 5 CDBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000598739011 343892354 /nfs/dbraw/zinc/89/23/54/343892354.db2.gz UECXEBZPCDGKFO-UHFFFAOYSA-N 1 0 283.332 1.168 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599176384 343966062 /nfs/dbraw/zinc/96/60/62/343966062.db2.gz SFXCIUXLKHKSES-SNVBAGLBSA-N 1 0 285.731 1.727 20 5 CDBDRO C[C@]1(C(=O)NCc2ccccc2[N+](=O)[O-])CCCC[NH2+]1 ZINC000136157365 362306003 /nfs/dbraw/zinc/30/60/03/362306003.db2.gz MMBRNYJGNAJYPB-CQSZACIVSA-N 1 0 277.324 1.743 20 5 CDBDRO CO[C@@]1(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])CCOC1 ZINC000602439710 344417760 /nfs/dbraw/zinc/41/77/60/344417760.db2.gz LOKLKMWWWXXGJY-CQSZACIVSA-N 1 0 280.324 1.832 20 5 CDBDRO CC[C@@H](C)[C@@H](C[NH2+]CCn1cc([N+](=O)[O-])cn1)OC ZINC000602568777 344484601 /nfs/dbraw/zinc/48/46/01/344484601.db2.gz MHOMLRIJSBQVBT-ZYHUDNBSSA-N 1 0 270.333 1.442 20 5 CDBDRO COC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602805055 344592538 /nfs/dbraw/zinc/59/25/38/344592538.db2.gz LDVXPZZBQUBCTO-LLVKDONJSA-N 1 0 268.317 1.114 20 5 CDBDRO COC(=O)CC1([NH2+]CCn2c(C)ncc2[N+](=O)[O-])CCC1 ZINC000602804609 344592907 /nfs/dbraw/zinc/59/29/07/344592907.db2.gz KHNVQAARLOXFMH-UHFFFAOYSA-N 1 0 296.327 1.175 20 5 CDBDRO CCOC[C@@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602778707 344594811 /nfs/dbraw/zinc/59/48/11/344594811.db2.gz NJMFJEBKIQOUBO-GFCCVEGCSA-N 1 0 282.344 1.458 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC2CC[NH2+]CC2)c1 ZINC000260540735 344576805 /nfs/dbraw/zinc/57/68/05/344576805.db2.gz OBKOQYVGVSUAFG-UHFFFAOYSA-N 1 0 293.323 1.333 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000602764222 344584682 /nfs/dbraw/zinc/58/46/82/344584682.db2.gz VELATNYPHFNMLN-LBPRGKRZSA-N 1 0 294.355 1.601 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCS[C@@H](C)CC1 ZINC000602818297 344608053 /nfs/dbraw/zinc/60/80/53/344608053.db2.gz CZNXXBOSVTYLDD-JTQLQIEISA-N 1 0 284.385 1.927 20 5 CDBDRO CC[C@@H](C)[NH+]1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602841563 344622293 /nfs/dbraw/zinc/62/22/93/344622293.db2.gz UDJBHSUFQCDYQK-GFCCVEGCSA-N 1 0 295.387 1.516 20 5 CDBDRO COC1([C@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])CCC1 ZINC000602843248 344622636 /nfs/dbraw/zinc/62/26/36/344622636.db2.gz DTQYGEXHWMHKKR-JTQLQIEISA-N 1 0 282.344 1.647 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000292824525 362512841 /nfs/dbraw/zinc/51/28/41/362512841.db2.gz XHBZREVZCUJCEI-NEPJUHHUSA-N 1 0 266.297 1.224 20 5 CDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@H](C)[N@H+]1C ZINC000292896563 362517584 /nfs/dbraw/zinc/51/75/84/362517584.db2.gz WHTLMRQQPHGQRD-AOOOYVTPSA-N 1 0 250.302 1.519 20 5 CDBDRO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293251533 362533081 /nfs/dbraw/zinc/53/30/81/362533081.db2.gz BORWXQBLYGSCGS-DTWKUNHWSA-N 1 0 280.328 1.352 20 5 CDBDRO Cc1cc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)cc([N+](=O)[O-])c1 ZINC000159827009 362536716 /nfs/dbraw/zinc/53/67/16/362536716.db2.gz GWOOJCGLVKRYRG-ZDUSSCGKSA-N 1 0 277.324 1.713 20 5 CDBDRO CCOCC(C)(C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000293287424 362542933 /nfs/dbraw/zinc/54/29/33/362542933.db2.gz ONOUCAJCUXIHOO-UHFFFAOYSA-N 1 0 256.306 1.196 20 5 CDBDRO CC(C)(C)[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000344213909 362555941 /nfs/dbraw/zinc/55/59/41/362555941.db2.gz OLQQFOZVYXZLSI-YPMHNXCESA-N 1 0 296.371 1.520 20 5 CDBDRO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000344241509 362558150 /nfs/dbraw/zinc/55/81/50/362558150.db2.gz WGIJMQJTKHURLU-VIFPVBQESA-N 1 0 295.314 1.946 20 5 CDBDRO Cc1ccc(C(=O)N[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000230730891 345440459 /nfs/dbraw/zinc/44/04/59/345440459.db2.gz OGCSBMAKOFLYMG-CYBMUJFWSA-N 1 0 263.297 1.385 20 5 CDBDRO CCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000609570154 345812314 /nfs/dbraw/zinc/81/23/14/345812314.db2.gz KLLAXGARKYYDCU-UHFFFAOYSA-N 1 0 282.344 1.395 20 5 CDBDRO CC(C)C1C[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000619506659 345779638 /nfs/dbraw/zinc/77/96/38/345779638.db2.gz BBADPMVIMVTSMS-CQSZACIVSA-N 1 0 294.351 1.922 20 5 CDBDRO CO[C@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CCOC1 ZINC000160308198 345793671 /nfs/dbraw/zinc/79/36/71/345793671.db2.gz SHJUIFIPTJCFQF-AWEZNQCLSA-N 1 0 280.324 1.798 20 5 CDBDRO CC1(C)C[NH2+]CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000088146757 346014093 /nfs/dbraw/zinc/01/40/93/346014093.db2.gz LQRIPJSBZWUSCV-UHFFFAOYSA-N 1 0 263.341 1.821 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000424049635 535021936 /nfs/dbraw/zinc/02/19/36/535021936.db2.gz XKMBCRXZSNUWNA-UHFFFAOYSA-N 1 0 295.339 1.607 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000089106665 346123955 /nfs/dbraw/zinc/12/39/55/346123955.db2.gz YVNLPMUXYYLOKO-ZYHUDNBSSA-N 1 0 277.324 1.842 20 5 CDBDRO NC(=O)[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000610581633 346318938 /nfs/dbraw/zinc/31/89/38/346318938.db2.gz DYSLOXRBPKKQPX-QMMMGPOBSA-N 1 0 290.279 1.043 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cn[nH]c3)C2)nc1 ZINC000611272519 346732301 /nfs/dbraw/zinc/73/23/01/346732301.db2.gz WBBNMOJRXVSLCF-NSHDSACASA-N 1 0 288.311 1.399 20 5 CDBDRO CC[C@@]1(C(=O)NCc2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000122067469 347419822 /nfs/dbraw/zinc/41/98/22/347419822.db2.gz WCAQTUMIXJQRHV-AWEZNQCLSA-N 1 0 277.324 1.743 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000066140096 347478471 /nfs/dbraw/zinc/47/84/71/347478471.db2.gz LQGUWLUVMYPBBT-MRVPVSSYSA-N 1 0 283.332 1.086 20 5 CDBDRO O=[N+]([O-])c1ccc(-n2cc(C[NH2+]C3CC3)nn2)cc1 ZINC000090299876 347651990 /nfs/dbraw/zinc/65/19/90/347651990.db2.gz SALKUZUNJICQRH-UHFFFAOYSA-N 1 0 259.269 1.428 20 5 CDBDRO COc1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000613286024 347660609 /nfs/dbraw/zinc/66/06/09/347660609.db2.gz UXRYSNJLINFKCF-PHIMTYICSA-N 1 0 295.314 1.394 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000054375100 347821158 /nfs/dbraw/zinc/82/11/58/347821158.db2.gz UCFLFAYYIBXSEQ-SSDOTTSWSA-N 1 0 267.314 1.102 20 5 CDBDRO CC[C@@H](O)C[NH2+]CCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000614486278 348125036 /nfs/dbraw/zinc/12/50/36/348125036.db2.gz XZYQDHHZASWVQA-LLVKDONJSA-N 1 0 298.339 1.515 20 5 CDBDRO Cc1cc(NC[C@H]2CC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC000092026789 180308621 /nfs/dbraw/zinc/30/86/21/180308621.db2.gz PXEHUHUFVRDUKS-SNVBAGLBSA-N 1 0 250.302 1.662 20 5 CDBDRO COc1ccc2ncc([N+](=O)[O-])c(NC[C@H](C)C[NH3+])c2c1 ZINC001579258566 1172127928 /nfs/dbraw/zinc/12/79/28/1172127928.db2.gz JRABWIWTWZKZSN-SECBINFHSA-N 1 0 290.323 1.580 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000106483274 186119967 /nfs/dbraw/zinc/11/99/67/186119967.db2.gz URSROAPDRVXSKF-ZDUSSCGKSA-N 1 0 292.383 1.951 20 5 CDBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000110816059 186326116 /nfs/dbraw/zinc/32/61/16/186326116.db2.gz MGUFCMROQFIDFP-UHFFFAOYSA-N 1 0 292.339 1.345 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000311663759 350705687 /nfs/dbraw/zinc/70/56/87/350705687.db2.gz OHGNNLPBQOEFQO-SECBINFHSA-N 1 0 265.317 1.326 20 5 CDBDRO Nc1ccc(NC[C@H]2CC[N@@H+](C3CC3)C2)nc1[N+](=O)[O-] ZINC000313077830 350815344 /nfs/dbraw/zinc/81/53/44/350815344.db2.gz WMTKCDOPDOEWHJ-SECBINFHSA-N 1 0 277.328 1.468 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000111267516 186382627 /nfs/dbraw/zinc/38/26/27/186382627.db2.gz KWYVNPMPRMFAMD-GBIKHYSHSA-N 1 0 277.324 1.628 20 5 CDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000079768458 350967672 /nfs/dbraw/zinc/96/76/72/350967672.db2.gz UDMHADOAYGQQTC-ZDUSSCGKSA-N 1 0 280.324 1.676 20 5 CDBDRO CCC[C@@H](O)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000112377627 186492022 /nfs/dbraw/zinc/49/20/22/186492022.db2.gz HTRBJDOONQZOAB-LLVKDONJSA-N 1 0 268.313 1.854 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000123815027 351288793 /nfs/dbraw/zinc/28/87/93/351288793.db2.gz SOYLYNDBCKAEGB-GWCFXTLKSA-N 1 0 265.313 1.143 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000124781365 351370972 /nfs/dbraw/zinc/37/09/72/351370972.db2.gz YXFGOSPXTWKSKB-VXNVDRBHSA-N 1 0 269.326 1.608 20 5 CDBDRO CC[C@H](C(N)=O)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282351535 351535440 /nfs/dbraw/zinc/53/54/40/351535440.db2.gz COGXCRLMDYKNDK-GFCCVEGCSA-N 1 0 265.313 1.333 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C ZINC000036793938 363050738 /nfs/dbraw/zinc/05/07/38/363050738.db2.gz JNSXDVZADBHNRN-VHSXEESVSA-N 1 0 265.313 1.722 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC[NH+](C)C ZINC000123072785 187069696 /nfs/dbraw/zinc/06/96/96/187069696.db2.gz DOWNUZQEWWDCBP-UHFFFAOYSA-N 1 0 296.327 1.629 20 5 CDBDRO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC[C@@H]1C ZINC000122615388 187041263 /nfs/dbraw/zinc/04/12/63/187041263.db2.gz UPDWYDZJAYOLCM-RYUDHWBXSA-N 1 0 279.340 1.734 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C)C[NH+](C)C ZINC000291963999 198118563 /nfs/dbraw/zinc/11/85/63/198118563.db2.gz VLZIKZPURAHQLZ-SECBINFHSA-N 1 0 252.318 1.908 20 5 CDBDRO COC(=O)C[C@@]1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000361740335 358473539 /nfs/dbraw/zinc/47/35/39/358473539.db2.gz HURDOAARNSRNML-AWEZNQCLSA-N 1 0 294.307 1.407 20 5 CDBDRO Cc1c(C(=O)NC[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000292251081 198218626 /nfs/dbraw/zinc/21/86/26/198218626.db2.gz DUOUSHBXZPETMP-JTQLQIEISA-N 1 0 279.340 1.831 20 5 CDBDRO CC[N@H+](CCCO)Cc1cc([N+](=O)[O-])ccc1OC ZINC000135423079 358474279 /nfs/dbraw/zinc/47/42/79/358474279.db2.gz LZFNMFGGYFJAPW-UHFFFAOYSA-N 1 0 268.313 1.808 20 5 CDBDRO CC(C)([NH3+])CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000418415537 535203232 /nfs/dbraw/zinc/20/32/32/535203232.db2.gz NQRPORCTARVBKY-UHFFFAOYSA-N 1 0 294.355 1.866 20 5 CDBDRO C[C@@H](CS(C)(=O)=O)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000271736136 191299062 /nfs/dbraw/zinc/29/90/62/191299062.db2.gz UDWXJGKTPOGILV-JTQLQIEISA-N 1 0 286.353 1.160 20 5 CDBDRO COc1cccc(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)c1[N+](=O)[O-] ZINC000457364636 366157121 /nfs/dbraw/zinc/15/71/21/366157121.db2.gz QZPHOQXBEZZNLP-MWLCHTKSSA-N 1 0 293.323 1.555 20 5 CDBDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000168165082 188646990 /nfs/dbraw/zinc/64/69/90/188646990.db2.gz RXROQIZOFQKTBH-XLFHBGCDSA-N 1 0 256.327 1.451 20 5 CDBDRO C[NH+](C)C1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000271786239 191325705 /nfs/dbraw/zinc/32/57/05/191325705.db2.gz TXPLNELAAXPFPL-UHFFFAOYSA-N 1 0 288.307 1.462 20 5 CDBDRO CC(C)C[C@@H](CNc1ncc([N+](=O)[O-])cn1)[NH+](C)C ZINC000273584739 192215658 /nfs/dbraw/zinc/21/56/58/192215658.db2.gz GHCKEDSBQFCDOI-JTQLQIEISA-N 1 0 267.333 1.773 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2N)CCC1 ZINC000097935856 356956758 /nfs/dbraw/zinc/95/67/58/356956758.db2.gz GMJCJVOFGIJANG-UHFFFAOYSA-N 1 0 292.339 1.391 20 5 CDBDRO CC1CC[NH+](CC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000051209171 357209377 /nfs/dbraw/zinc/20/93/77/357209377.db2.gz ZUTPDKHTTKGCEM-UHFFFAOYSA-N 1 0 291.351 1.943 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[NH+](C)C ZINC000341304048 357223020 /nfs/dbraw/zinc/22/30/20/357223020.db2.gz SRTQWIDDYFOUMX-UHFFFAOYSA-N 1 0 281.312 1.663 20 5 CDBDRO CCc1ccc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000261902088 357340654 /nfs/dbraw/zinc/34/06/54/357340654.db2.gz WTPRYMPAOIJMFK-QWRGUYRKSA-N 1 0 291.351 1.967 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)CN1CC[NH+](C)CC1 ZINC000264520295 357355761 /nfs/dbraw/zinc/35/57/61/357355761.db2.gz ZWHPMNDJXSWEGO-GFCCVEGCSA-N 1 0 293.371 1.346 20 5 CDBDRO COCC[N@H+](C)CCCNc1ccccc1[N+](=O)[O-] ZINC000126345769 357598315 /nfs/dbraw/zinc/59/83/15/357598315.db2.gz AWVUKRYYTMJDBG-UHFFFAOYSA-N 1 0 267.329 1.975 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C1CC1)[NH+](C)C ZINC000360910708 357742170 /nfs/dbraw/zinc/74/21/70/357742170.db2.gz XQQFNBGCXYPANH-NSHDSACASA-N 1 0 281.360 1.872 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000135212311 357770705 /nfs/dbraw/zinc/77/07/05/357770705.db2.gz RKUCZTYFOXTZBK-ZDUSSCGKSA-N 1 0 291.351 1.595 20 5 CDBDRO O=c1c([N+](=O)[O-])cc(Cl)cn1CC[C@@H]1CC[NH2+]C1 ZINC000566559590 358091841 /nfs/dbraw/zinc/09/18/41/358091841.db2.gz LHRZTHDHROJICG-QMMMGPOBSA-N 1 0 271.704 1.410 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000287191114 358143659 /nfs/dbraw/zinc/14/36/59/358143659.db2.gz MEOAERQUWVEXNK-NSHDSACASA-N 1 0 293.367 1.939 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000287244214 358350188 /nfs/dbraw/zinc/35/01/88/358350188.db2.gz QGWRRUFLFDIWEO-QMMMGPOBSA-N 1 0 296.283 1.183 20 5 CDBDRO COc1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)ccc1C ZINC000194376754 358365782 /nfs/dbraw/zinc/36/57/82/358365782.db2.gz VWQOFCIXVHOJMI-UHFFFAOYSA-N 1 0 290.323 1.898 20 5 CDBDRO C[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000094340334 358654924 /nfs/dbraw/zinc/65/49/24/358654924.db2.gz CTBJIAAQLKOKHI-IONNQARKSA-N 1 0 269.326 1.466 20 5 CDBDRO C[NH+](C)C[C@@](C)(O)CNc1ccccc1[N+](=O)[O-] ZINC000132980352 358656778 /nfs/dbraw/zinc/65/67/78/358656778.db2.gz OYNALTZYFVAXBI-LBPRGKRZSA-N 1 0 253.302 1.319 20 5 CDBDRO C[C@@H]1C[C@H](C)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000341581596 358665857 /nfs/dbraw/zinc/66/58/57/358665857.db2.gz HDDNINNHMZTCOS-MNOVXSKESA-N 1 0 265.313 1.487 20 5 CDBDRO CCC[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1NC ZINC000567474488 358685773 /nfs/dbraw/zinc/68/57/73/358685773.db2.gz GMNRDBITYDECHN-UHFFFAOYSA-N 1 0 280.328 1.917 20 5 CDBDRO CC[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])OC ZINC000567709243 358721676 /nfs/dbraw/zinc/72/16/76/358721676.db2.gz OHBSJHNZUZSCLR-NEPJUHHUSA-N 1 0 298.339 1.349 20 5 CDBDRO Cc1cc(NCCN2CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000290933358 358776023 /nfs/dbraw/zinc/77/60/23/358776023.db2.gz JMTZPPZEQZSDJJ-UHFFFAOYSA-N 1 0 296.346 1.702 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158997706 366462551 /nfs/dbraw/zinc/46/25/51/366462551.db2.gz UURUSMMXVJBJHB-CQSZACIVSA-N 1 0 293.298 1.560 20 5 CDBDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000342206178 358967079 /nfs/dbraw/zinc/96/70/79/358967079.db2.gz PXTHZEUKZUEDLP-DTWKUNHWSA-N 1 0 254.286 1.462 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000381361845 359040176 /nfs/dbraw/zinc/04/01/76/359040176.db2.gz KKLSLVDUKDNUMM-RKDXNWHRSA-N 1 0 251.286 1.369 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000569802849 359261715 /nfs/dbraw/zinc/26/17/15/359261715.db2.gz OIKXGHZRMYAHRQ-RNCFNFMXSA-N 1 0 261.281 1.594 20 5 CDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CCC[NH2+]C1 ZINC000050162648 359352584 /nfs/dbraw/zinc/35/25/84/359352584.db2.gz OYMILLDUBLJIMP-IUCAKERBSA-N 1 0 267.285 1.306 20 5 CDBDRO Cc1nn(CCC(=O)N[C@@H](C)C[C@@H](C)[NH3+])c(C)c1[N+](=O)[O-] ZINC000571524822 359583202 /nfs/dbraw/zinc/58/32/02/359583202.db2.gz DMYYGLPKXJGEJK-BDAKNGLRSA-N 1 0 297.359 1.040 20 5 CDBDRO CC[N@H+](C)C[C@H](O)COc1cc(C)c([N+](=O)[O-])cc1F ZINC000383755614 359611381 /nfs/dbraw/zinc/61/13/81/359611381.db2.gz NKLAXOVLBZIEQP-JTQLQIEISA-N 1 0 286.303 1.734 20 5 CDBDRO CCCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000347905813 359661198 /nfs/dbraw/zinc/66/11/98/359661198.db2.gz CJCJFGIZRDZBFA-UHFFFAOYSA-N 1 0 296.371 1.737 20 5 CDBDRO C[C@@H]1CCCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000408341774 359668497 /nfs/dbraw/zinc/66/84/97/359668497.db2.gz SWVXZPOPHSAZMM-SNVBAGLBSA-N 1 0 252.318 1.950 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000267326063 359816792 /nfs/dbraw/zinc/81/67/92/359816792.db2.gz ZSQBUVSKABCBIW-DTWKUNHWSA-N 1 0 280.332 1.252 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000130354242 359870424 /nfs/dbraw/zinc/87/04/24/359870424.db2.gz NGSUIACYEBKULG-NSHDSACASA-N 1 0 265.313 1.842 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC[NH2+]C1CC1 ZINC000054265741 360066321 /nfs/dbraw/zinc/06/63/21/360066321.db2.gz RRBVGCMAASYTFL-UHFFFAOYSA-N 1 0 263.297 1.006 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)CC[NH2+]1 ZINC000235392577 360081728 /nfs/dbraw/zinc/08/17/28/360081728.db2.gz DDDLCTCWXQGOBR-SFYZADRCSA-N 1 0 269.326 1.527 20 5 CDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000176898241 189013723 /nfs/dbraw/zinc/01/37/23/189013723.db2.gz NUTHHFSNBLWOSI-SNVBAGLBSA-N 1 0 299.327 1.274 20 5 CDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCC1=CC[NH2+]CC1 ZINC000169266611 360173848 /nfs/dbraw/zinc/17/38/48/360173848.db2.gz SGRRWTSHWMOMJA-SNAWJCMRSA-N 1 0 287.319 1.644 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000147900670 360499109 /nfs/dbraw/zinc/49/91/09/360499109.db2.gz TVYXJBIOGPCKMB-JTQLQIEISA-N 1 0 283.715 1.682 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000038049246 283561304 /nfs/dbraw/zinc/56/13/04/283561304.db2.gz LLZWVAUAJQXAIJ-HTQZYQBOSA-N 1 0 253.258 1.188 20 5 CDBDRO Cc1ccc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000235683499 360597427 /nfs/dbraw/zinc/59/74/27/360597427.db2.gz UBQONSLGATXAJA-JQWIXIFHSA-N 1 0 277.324 1.774 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000178349770 189109205 /nfs/dbraw/zinc/10/92/05/189109205.db2.gz ULFCJDYJLFNKKP-SECBINFHSA-N 1 0 291.332 1.983 20 5 CDBDRO CC(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[NH+](C)C ZINC000299003687 200579965 /nfs/dbraw/zinc/57/99/65/200579965.db2.gz KNBYICKJQXWLTD-JTQLQIEISA-N 1 0 282.344 1.629 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000178393015 189112708 /nfs/dbraw/zinc/11/27/08/189112708.db2.gz VGIKNKOPLIKAHW-QMMMGPOBSA-N 1 0 283.715 1.730 20 5 CDBDRO Cc1sc(C(=O)NCC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000178665115 189135790 /nfs/dbraw/zinc/13/57/90/189135790.db2.gz PUKBGHIJDYWPMV-ZCFIWIBFSA-N 1 0 257.315 1.432 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000178674516 189136737 /nfs/dbraw/zinc/13/67/37/189136737.db2.gz AGXPTVGPYZUCQK-NSHDSACASA-N 1 0 294.355 1.640 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCC1 ZINC000179194751 189176349 /nfs/dbraw/zinc/17/63/49/189176349.db2.gz OSUUFIPQEQFXJP-UHFFFAOYSA-N 1 0 265.313 1.631 20 5 CDBDRO CNc1nc(C(=O)N[C@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000455671646 360913970 /nfs/dbraw/zinc/91/39/70/360913970.db2.gz YDLFDLVZNNAFEK-SECBINFHSA-N 1 0 295.343 1.102 20 5 CDBDRO C[NH2+][C@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000053204177 361205577 /nfs/dbraw/zinc/20/55/77/361205577.db2.gz IEMUFYGIIXYJEG-NSHDSACASA-N 1 0 292.339 1.217 20 5 CDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1ncccc1[N+](=O)[O-] ZINC000267773191 361164267 /nfs/dbraw/zinc/16/42/67/361164267.db2.gz XMKIIXXUUAKWCO-QWRGUYRKSA-N 1 0 264.329 1.766 20 5 CDBDRO Cc1c(C[N@@H+]2CC[C@H](CC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000367306827 361286096 /nfs/dbraw/zinc/28/60/96/361286096.db2.gz AWRLCGGKMICFLH-LLVKDONJSA-N 1 0 277.324 1.601 20 5 CDBDRO C[NH+](C)C1CCN(CCNc2ncccc2[N+](=O)[O-])CC1 ZINC000301512843 201038593 /nfs/dbraw/zinc/03/85/93/201038593.db2.gz DLSBOOJDYGEQBH-UHFFFAOYSA-N 1 0 293.371 1.428 20 5 CDBDRO CC(C)[C@@H](CCO)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000162236948 363757886 /nfs/dbraw/zinc/75/78/86/363757886.db2.gz KVWPNHZOJZBMRH-CQSZACIVSA-N 1 0 282.340 1.970 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])o1)C1CC[NH2+]CC1 ZINC000036283032 361421502 /nfs/dbraw/zinc/42/15/02/361421502.db2.gz NRPKOVVCEOLTPN-UHFFFAOYSA-N 1 0 253.258 1.012 20 5 CDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1sccc1[N+](=O)[O-] ZINC000302037386 201312002 /nfs/dbraw/zinc/31/20/02/201312002.db2.gz VFGUFZSDSBIGFD-SNVBAGLBSA-N 1 0 284.385 1.704 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000137113967 363855624 /nfs/dbraw/zinc/85/56/24/363855624.db2.gz ILNHGZCAHYBNRC-SNVBAGLBSA-N 1 0 263.297 1.243 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](O)CSc1ccc([N+](=O)[O-])cn1 ZINC000581023313 363962325 /nfs/dbraw/zinc/96/23/25/363962325.db2.gz XCWOLQDFSFWWJP-NSHDSACASA-N 1 0 285.369 1.783 20 5 CDBDRO C[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000137171890 364067441 /nfs/dbraw/zinc/06/74/41/364067441.db2.gz QFVWTOLOAKIPBZ-JTQLQIEISA-N 1 0 295.343 1.170 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000268139022 364332089 /nfs/dbraw/zinc/33/20/89/364332089.db2.gz KAXCTVQOXIAYDG-KOLCDFICSA-N 1 0 262.313 1.884 20 5 CDBDRO COC[C@@H](CCO)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293738486 364463718 /nfs/dbraw/zinc/46/37/18/364463718.db2.gz NJJSQPSGESNZMQ-MWLCHTKSSA-N 1 0 283.328 1.225 20 5 CDBDRO Cc1cc(OCC(=O)NC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000412392514 240191560 /nfs/dbraw/zinc/19/15/60/240191560.db2.gz DVIZOLCWAZIGLZ-NSHDSACASA-N 1 0 295.339 1.348 20 5 CDBDRO O=C(NC[C@H]1CC[NH2+]C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000133678182 365234105 /nfs/dbraw/zinc/23/41/05/365234105.db2.gz MOWNRAVAFZZKAN-QMMMGPOBSA-N 1 0 283.715 1.588 20 5 CDBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000271025499 366957856 /nfs/dbraw/zinc/95/78/56/366957856.db2.gz WHOQGDVSBSUXHQ-GFCCVEGCSA-N 1 0 250.298 1.860 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)[NH3+] ZINC000414664032 241309656 /nfs/dbraw/zinc/30/96/56/241309656.db2.gz STDHYPBKMFJJDG-UHFFFAOYSA-N 1 0 266.301 1.762 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414664643 241309751 /nfs/dbraw/zinc/30/97/51/241309751.db2.gz UBNMFLGLEZOEQJ-QMMMGPOBSA-N 1 0 252.274 1.311 20 5 CDBDRO COCC[NH2+]CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000414664670 241310579 /nfs/dbraw/zinc/31/05/79/241310579.db2.gz UFAXQEWCGGBHDL-UHFFFAOYSA-N 1 0 296.327 1.261 20 5 CDBDRO C[NH2+]CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000415494123 241703305 /nfs/dbraw/zinc/70/33/05/241703305.db2.gz DSNPDWDGTGDFBQ-UHFFFAOYSA-N 1 0 266.301 1.634 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000348517817 367455747 /nfs/dbraw/zinc/45/57/47/367455747.db2.gz YDJJTJAAKBVNRA-VIFPVBQESA-N 1 0 297.359 1.340 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCC[C@H]1OC(F)F ZINC000348522798 367456971 /nfs/dbraw/zinc/45/69/71/367456971.db2.gz ZTOLVNPUNNCYON-IONNQARKSA-N 1 0 290.270 1.578 20 5 CDBDRO Cc1ccc(CN(C)[C@H]2COC[C@H]2O)cc1[N+](=O)[O-] ZINC000348639749 367598637 /nfs/dbraw/zinc/59/86/37/367598637.db2.gz DTFUKAHUTALXCQ-QWHCGFSZSA-N 1 0 266.297 1.095 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417125672 242330005 /nfs/dbraw/zinc/33/00/05/242330005.db2.gz BMRZIQNDBTZFBL-GXFFZTMASA-N 1 0 294.355 1.938 20 5 CDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C1=CC[N@H+](C)CC1 ZINC000272635276 367785785 /nfs/dbraw/zinc/78/57/85/367785785.db2.gz BVYUJJNYLJIFQO-SECBINFHSA-N 1 0 279.296 1.568 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000418586961 243243531 /nfs/dbraw/zinc/24/35/31/243243531.db2.gz BJERYMPCYPGAKR-LLVKDONJSA-N 1 0 294.355 1.734 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000089091033 368827459 /nfs/dbraw/zinc/82/74/59/368827459.db2.gz WXJFAKWUVHCXQT-JGVFFNPUSA-N 1 0 269.326 1.514 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000089091032 368827945 /nfs/dbraw/zinc/82/79/45/368827945.db2.gz WXJFAKWUVHCXQT-SFYZADRCSA-N 1 0 269.326 1.514 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000089106909 368976292 /nfs/dbraw/zinc/97/62/92/368976292.db2.gz TUPWGFIQHIIRKR-CHWSQXEVSA-N 1 0 291.351 1.771 20 5 CDBDRO Cc1nn(C)c(NC[C@@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420269879 244002938 /nfs/dbraw/zinc/00/29/38/244002938.db2.gz BUAFRFPJOBDAAW-ZJUUUORDSA-N 1 0 267.333 1.566 20 5 CDBDRO C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000420339064 244108602 /nfs/dbraw/zinc/10/86/02/244108602.db2.gz QDILCWSAZDPDNB-NSHDSACASA-N 1 0 292.339 1.217 20 5 CDBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330726907 203160597 /nfs/dbraw/zinc/16/05/97/203160597.db2.gz FVYSXIOZFPXNHN-JTQLQIEISA-N 1 0 294.355 1.725 20 5 CDBDRO C[NH2+]CCCN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420390826 244191485 /nfs/dbraw/zinc/19/14/85/244191485.db2.gz RAPFSKIWSDJTBX-LLVKDONJSA-N 1 0 294.355 1.463 20 5 CDBDRO CCc1nn(C)c(N(C)C[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000420636984 244303122 /nfs/dbraw/zinc/30/31/22/244303122.db2.gz OCGUXULFWPLNFD-JTQLQIEISA-N 1 0 281.360 1.421 20 5 CDBDRO CCCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000276275109 193267753 /nfs/dbraw/zinc/26/77/53/193267753.db2.gz UNTCHFYJWIDEAF-UHFFFAOYSA-N 1 0 282.344 1.727 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CCC[NH3+])c1 ZINC000295246871 369747288 /nfs/dbraw/zinc/74/72/88/369747288.db2.gz PWNQTMLGOPKVQF-SNVBAGLBSA-N 1 0 265.313 1.760 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000037669497 369786104 /nfs/dbraw/zinc/78/61/04/369786104.db2.gz JCEHBKQSLCFWFX-NSHDSACASA-N 1 0 295.314 1.948 20 5 CDBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000441332399 370092173 /nfs/dbraw/zinc/09/21/73/370092173.db2.gz JWEWPGKSIVWPNH-CAMLPZEUSA-N 1 0 289.335 1.722 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@@H]1NCCc1ccccc1[N+](=O)[O-] ZINC000422796565 245266208 /nfs/dbraw/zinc/26/62/08/245266208.db2.gz YNBWHKMBYPZLCF-AAEUAGOBSA-N 1 0 263.341 1.725 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000367987228 371271020 /nfs/dbraw/zinc/27/10/20/371271020.db2.gz DQURAVMNDLYLDL-SNVBAGLBSA-N 1 0 293.323 1.301 20 5 CDBDRO COc1cc(CN(C)C[C@H](C)O)c([N+](=O)[O-])cc1OC ZINC000130727263 373504264 /nfs/dbraw/zinc/50/42/64/373504264.db2.gz ATOTTYRYACLYIQ-VIFPVBQESA-N 1 0 284.312 1.425 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[NH+](C)C ZINC000298378061 373516393 /nfs/dbraw/zinc/51/63/93/373516393.db2.gz CKNRKLQRXOXERI-VIFPVBQESA-N 1 0 296.327 1.675 20 5 CDBDRO Cc1c(NC(=O)NC[C@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000298401748 373519009 /nfs/dbraw/zinc/51/90/09/373519009.db2.gz RKVLROBFESUSSO-VIFPVBQESA-N 1 0 280.328 1.975 20 5 CDBDRO CO[C@@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000122938846 373696385 /nfs/dbraw/zinc/69/63/85/373696385.db2.gz VSTFKVWNHYBYGR-CYBMUJFWSA-N 1 0 266.297 1.490 20 5 CDBDRO C[C@H]([NH2+]CCNC(=O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000130860557 373758761 /nfs/dbraw/zinc/75/87/61/373758761.db2.gz HUCZTCDHHBTKJL-JTQLQIEISA-N 1 0 277.324 1.772 20 5 CDBDRO Cc1c(CC(=O)N[C@H]2CCC[NH2+][C@@H]2C)cccc1[N+](=O)[O-] ZINC000423611394 245937356 /nfs/dbraw/zinc/93/73/56/245937356.db2.gz NJIANQNOXSKCCE-YPMHNXCESA-N 1 0 291.351 1.702 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000423683859 245978284 /nfs/dbraw/zinc/97/82/84/245978284.db2.gz QPLPZBLAZMYNEP-NXEZZACHSA-N 1 0 265.313 1.677 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000423718082 246000027 /nfs/dbraw/zinc/00/00/27/246000027.db2.gz BSWWKVAHDJFHNP-GHMZBOCLSA-N 1 0 293.323 1.930 20 5 CDBDRO CO[C@@H](C[NH3+])C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423729778 246008836 /nfs/dbraw/zinc/00/88/36/246008836.db2.gz VVGGETPNQVVJTO-ZDUSSCGKSA-N 1 0 293.323 1.060 20 5 CDBDRO C[C@H](C[NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423732705 246010685 /nfs/dbraw/zinc/01/06/85/246010685.db2.gz ZSNJRUQWHGHDRM-SNVBAGLBSA-N 1 0 277.324 1.681 20 5 CDBDRO Cc1c(CC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000423751771 246028700 /nfs/dbraw/zinc/02/87/00/246028700.db2.gz WJHWGGHWKDLNIR-AAEUAGOBSA-N 1 0 291.351 1.689 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@@H]1C ZINC000422766932 374360391 /nfs/dbraw/zinc/36/03/91/374360391.db2.gz XYFUZGQJVMLYKI-NSHDSACASA-N 1 0 277.324 1.646 20 5 CDBDRO CC1(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000423524247 374387560 /nfs/dbraw/zinc/38/75/60/374387560.db2.gz OBDBBVJBGUNIIE-UHFFFAOYSA-N 1 0 292.339 1.297 20 5 CDBDRO Cc1c(C[NH+]2CCC(NC(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000081539972 374517553 /nfs/dbraw/zinc/51/75/53/374517553.db2.gz KUOFDUPLPNPWIG-UHFFFAOYSA-N 1 0 292.339 1.536 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000070446822 374662575 /nfs/dbraw/zinc/66/25/75/374662575.db2.gz ASLWMVXGITVJHK-JTQLQIEISA-N 1 0 285.731 1.961 20 5 CDBDRO COCC(COC)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000388474012 374677682 /nfs/dbraw/zinc/67/76/82/374677682.db2.gz PLEQWGRTKBPKLV-JTQLQIEISA-N 1 0 268.313 1.907 20 5 CDBDRO CSCC[C@@H]([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000131168058 374682662 /nfs/dbraw/zinc/68/26/62/374682662.db2.gz MKFKJHHYGLTQFT-SNVBAGLBSA-N 1 0 283.353 1.291 20 5 CDBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000274857758 374686542 /nfs/dbraw/zinc/68/65/42/374686542.db2.gz ZPYXYNNEZVGWCR-VIFPVBQESA-N 1 0 299.714 1.048 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000275186781 374691753 /nfs/dbraw/zinc/69/17/53/374691753.db2.gz YJDUSZGKJPSTRJ-JQWIXIFHSA-N 1 0 277.324 1.631 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000124588970 374824936 /nfs/dbraw/zinc/82/49/36/374824936.db2.gz TVKLLDKNWNLQQD-UHFFFAOYSA-N 1 0 251.286 1.276 20 5 CDBDRO CO[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC000276985098 374765242 /nfs/dbraw/zinc/76/52/42/374765242.db2.gz ZVXRNKGAEMZHIS-BETUJISGSA-N 1 0 266.297 1.440 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000277510697 374792238 /nfs/dbraw/zinc/79/22/38/374792238.db2.gz KKELBAOSFSRWDP-ZHVYSYIMSA-N 1 0 289.335 1.722 20 5 CDBDRO CN(C)C(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037895124 374963234 /nfs/dbraw/zinc/96/32/34/374963234.db2.gz IRPXRQWALUNIBS-UHFFFAOYSA-N 1 0 251.286 1.163 20 5 CDBDRO CC(C)[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331246086 374914445 /nfs/dbraw/zinc/91/44/45/374914445.db2.gz MCHRFLQFUKGXMN-CHWSQXEVSA-N 1 0 282.344 1.273 20 5 CDBDRO CCCC1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000391978669 375027704 /nfs/dbraw/zinc/02/77/04/375027704.db2.gz NJXPXDGJALTPBI-CYBMUJFWSA-N 1 0 296.371 1.712 20 5 CDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]1C[NH3+] ZINC000156100029 375028287 /nfs/dbraw/zinc/02/82/87/375028287.db2.gz JCMPQQHLSMHHBY-SNVBAGLBSA-N 1 0 299.352 1.015 20 5 CDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC(O)C1 ZINC000332468207 375031692 /nfs/dbraw/zinc/03/16/92/375031692.db2.gz MHAKKXFBYUWJLE-UHFFFAOYSA-N 1 0 250.298 1.592 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000283521612 375116925 /nfs/dbraw/zinc/11/69/25/375116925.db2.gz FJTJTCKHGNIYCZ-UHFFFAOYSA-N 1 0 296.302 1.094 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CC1(O)CCCC1 ZINC000162211310 375295529 /nfs/dbraw/zinc/29/55/29/375295529.db2.gz XYDKBNFIAIVIET-UHFFFAOYSA-N 1 0 282.344 1.337 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000131962931 375389423 /nfs/dbraw/zinc/38/94/23/375389423.db2.gz MAVJTFZWQKKJJD-WDEREUQCSA-N 1 0 277.324 1.713 20 5 CDBDRO [NH3+]CCCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493581057 375467010 /nfs/dbraw/zinc/46/70/10/375467010.db2.gz CYGAPFQUMLAUKQ-HYXAFXHYSA-N 1 0 267.260 1.212 20 5 CDBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1CO ZINC000226930996 375406518 /nfs/dbraw/zinc/40/65/18/375406518.db2.gz WGBNXMNSGMBOOO-TVQRCGJNSA-N 1 0 268.288 1.937 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493340038 375443215 /nfs/dbraw/zinc/44/32/15/375443215.db2.gz ULMWNSMJDQNKGX-VAWSOJLPSA-N 1 0 263.297 1.319 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ncn(C)n1 ZINC000344805622 375455627 /nfs/dbraw/zinc/45/56/27/375455627.db2.gz FCNBLFYWVGZSAP-WDZFZDKYSA-N 1 0 287.323 1.916 20 5 CDBDRO CC[C@@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000305083419 375549086 /nfs/dbraw/zinc/54/90/86/375549086.db2.gz NDFXUNQHVWRKDR-CMPLNLGQSA-N 1 0 280.328 1.247 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000426459232 247029141 /nfs/dbraw/zinc/02/91/41/247029141.db2.gz JVHADCJECVPPSH-JQWIXIFHSA-N 1 0 250.302 1.666 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426456718 247029332 /nfs/dbraw/zinc/02/93/32/247029332.db2.gz WJNOHIBICUXODZ-WCQYABFASA-N 1 0 277.324 1.631 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H]3CCC[C@H]32)c1 ZINC000426473245 247030876 /nfs/dbraw/zinc/03/08/76/247030876.db2.gz DOFNAKXWZPNTMO-CYZMBNFOSA-N 1 0 280.328 1.027 20 5 CDBDRO CC(C)[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000230683684 375634335 /nfs/dbraw/zinc/63/43/35/375634335.db2.gz SXXHNJMNYZPIFT-UHFFFAOYSA-N 1 0 295.343 1.032 20 5 CDBDRO C[NH+](C)C[C@](C)(O)CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000132946801 375645242 /nfs/dbraw/zinc/64/52/42/375645242.db2.gz LPDXDQIPGJLASN-GFCCVEGCSA-N 1 0 289.282 1.598 20 5 CDBDRO Cc1ccc(CCC[NH2+]CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000354411913 375706706 /nfs/dbraw/zinc/70/67/06/375706706.db2.gz MKIFHNBKQHXPRW-UHFFFAOYSA-N 1 0 289.339 1.717 20 5 CDBDRO Cc1cc(NCCOCCO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228448822 375762007 /nfs/dbraw/zinc/76/20/07/375762007.db2.gz KZEINLXKLHKALO-UHFFFAOYSA-N 1 0 291.307 1.872 20 5 CDBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000269849035 375801897 /nfs/dbraw/zinc/80/18/97/375801897.db2.gz SXXJKIDZIMJBDQ-MNOVXSKESA-N 1 0 268.317 1.027 20 5 CDBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000358340741 375961967 /nfs/dbraw/zinc/96/19/67/375961967.db2.gz HASBDBXPTOHSRX-SECBINFHSA-N 1 0 283.303 1.343 20 5 CDBDRO CN1CCC[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000344599322 376640293 /nfs/dbraw/zinc/64/02/93/376640293.db2.gz DSMNZNUNTGQCSR-LVDDQXARSA-N 1 0 289.335 1.818 20 5 CDBDRO CC(C)OC[C@H](CO)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000433156249 247995709 /nfs/dbraw/zinc/99/57/09/247995709.db2.gz IORGERNXTLXMBR-HNNXBMFYSA-N 1 0 296.367 1.855 20 5 CDBDRO CCCc1n[nH]c(C(=O)NCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000172327553 377455872 /nfs/dbraw/zinc/45/58/72/377455872.db2.gz KYXYYWZPPVTVHY-UHFFFAOYSA-N 1 0 295.343 1.096 20 5 CDBDRO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)O1 ZINC000094564916 377849824 /nfs/dbraw/zinc/84/98/24/377849824.db2.gz WJOYKLADDFGBNG-MNOVXSKESA-N 1 0 265.269 1.040 20 5 CDBDRO CC[C@H](CO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449249797 378030017 /nfs/dbraw/zinc/03/00/17/378030017.db2.gz KIYGSEMJMINHTP-CMPLNLGQSA-N 1 0 252.314 1.886 20 5 CDBDRO CC(C)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000173530809 378525966 /nfs/dbraw/zinc/52/59/66/378525966.db2.gz OQGUQUFXEHSFNZ-GFCCVEGCSA-N 1 0 268.317 1.025 20 5 CDBDRO CCc1n[nH]c(C(=O)N2CCC[N@@H+](CC)CC2)c1[N+](=O)[O-] ZINC000278577619 194053484 /nfs/dbraw/zinc/05/34/84/194053484.db2.gz KZNSTSBRLZAWRN-UHFFFAOYSA-N 1 0 295.343 1.048 20 5 CDBDRO COC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000278694759 194107686 /nfs/dbraw/zinc/10/76/86/194107686.db2.gz QFOCGSPTFXVDBS-ZIAGYGMSSA-N 1 0 280.324 1.878 20 5 CDBDRO Cc1nn(C)c(NCC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000444866293 250197187 /nfs/dbraw/zinc/19/71/87/250197187.db2.gz XZOQPVWAZREPJP-UHFFFAOYSA-N 1 0 293.371 1.923 20 5 CDBDRO [NH3+]CCCc1nc(-c2cc([N+](=O)[O-])c[nH]2)cs1 ZINC000446145627 250274686 /nfs/dbraw/zinc/27/46/86/250274686.db2.gz MYJGBGIKEAHGCD-UHFFFAOYSA-N 1 0 252.299 1.938 20 5 CDBDRO O=[N+]([O-])c1cnn(CCN2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000174848183 379592228 /nfs/dbraw/zinc/59/22/28/379592228.db2.gz OURHCQIDTLBJBT-ZDUSSCGKSA-N 1 0 293.371 1.352 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493200132 253398184 /nfs/dbraw/zinc/39/81/84/253398184.db2.gz OFSRCPAMJUJQFU-JYESYGNLSA-N 1 0 263.297 1.319 20 5 CDBDRO C[N@H+](C[C@@H](O)CN1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000289309301 197292428 /nfs/dbraw/zinc/29/24/28/197292428.db2.gz DUHQGYSDYKADOC-GFCCVEGCSA-N 1 0 291.351 1.412 20 5 CDBDRO Cc1cc(NCCC[N@@H+](C)CCN(C)C)ncc1[N+](=O)[O-] ZINC000289217874 197266386 /nfs/dbraw/zinc/26/63/86/197266386.db2.gz YYURSKDRZKXLBJ-UHFFFAOYSA-N 1 0 295.387 1.594 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000285941666 390187216 /nfs/dbraw/zinc/18/72/16/390187216.db2.gz FYIPQYCXXUCPRU-SNVBAGLBSA-N 1 0 292.339 1.521 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000163233270 390179199 /nfs/dbraw/zinc/17/91/99/390179199.db2.gz KRLDFLWPOBXKJD-VHSXEESVSA-N 1 0 267.304 1.903 20 5 CDBDRO CC[N@@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])[C@H](C)C1 ZINC000286507806 390381253 /nfs/dbraw/zinc/38/12/53/390381253.db2.gz YSJYGKCWXLUIBA-SECBINFHSA-N 1 0 295.368 1.834 20 5 CDBDRO Cc1cccc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000320679467 390482393 /nfs/dbraw/zinc/48/23/93/390482393.db2.gz KYWQYTYXADGVDV-UWVGGRQHSA-N 1 0 265.313 1.759 20 5 CDBDRO Cc1cc(N[C@H]2CNC(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000225825192 390661548 /nfs/dbraw/zinc/66/15/48/390661548.db2.gz OBGMUOSXPXKPIE-SECBINFHSA-N 1 0 286.291 1.752 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+]([C@H]3COC[C@H]3O)C2)cc1 ZINC000451543204 390631609 /nfs/dbraw/zinc/63/16/09/390631609.db2.gz BHJHYQNKTYGGAU-VHDGCEQUSA-N 1 0 292.335 1.534 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1 ZINC000338721974 390666976 /nfs/dbraw/zinc/66/69/76/390666976.db2.gz BROMGEMZXRQXOJ-KGLIPLIRSA-N 1 0 293.323 1.123 20 5 CDBDRO CN(CC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000103119805 390674921 /nfs/dbraw/zinc/67/49/21/390674921.db2.gz DNBLWOWMJJFJOU-UHFFFAOYSA-N 1 0 277.324 1.763 20 5 CDBDRO C[C@@H]([NH2+]C[C@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000224437986 390883570 /nfs/dbraw/zinc/88/35/70/390883570.db2.gz FUQKFXSTJKVODL-XCBNKYQSSA-N 1 0 260.240 1.871 20 5 CDBDRO CC(C)c1n[nH]c(C(=O)N2CCC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000408397435 390925059 /nfs/dbraw/zinc/92/50/59/390925059.db2.gz VIZSRPVKDCUDFN-UHFFFAOYSA-N 1 0 295.343 1.219 20 5 CDBDRO CCO[C@@H]1CCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000452023973 390978733 /nfs/dbraw/zinc/97/87/33/390978733.db2.gz YOHBXGWWHKEHKH-VXGBXAGGSA-N 1 0 268.317 1.339 20 5 CDBDRO CC(C)=CCC[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000517556298 391165210 /nfs/dbraw/zinc/16/52/10/391165210.db2.gz IYZSKCCDFROJJP-JSGCOSHPSA-N 1 0 296.371 1.877 20 5 CDBDRO CC(C)c1ccc(CN(C)C[C@H](O)C[NH3+])cc1[N+](=O)[O-] ZINC000415053765 391253217 /nfs/dbraw/zinc/25/32/17/391253217.db2.gz KPAPSDUXTNWXQZ-GFCCVEGCSA-N 1 0 281.356 1.470 20 5 CDBDRO Cc1cnc(N2CCC[N@@H+]([C@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000344989228 391334853 /nfs/dbraw/zinc/33/48/53/391334853.db2.gz NXSOHWRIEVMYDN-GFCCVEGCSA-N 1 0 294.355 1.191 20 5 CDBDRO C[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000266783427 391336365 /nfs/dbraw/zinc/33/63/65/391336365.db2.gz NSAFGNBWBOSOPH-YGRLFVJLSA-N 1 0 290.323 1.713 20 5 CDBDRO C[C@@H]([NH2+]CC(C)(C)OCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294063890 391324284 /nfs/dbraw/zinc/32/42/84/391324284.db2.gz HJRMRRNJWADPEF-SNVBAGLBSA-N 1 0 297.355 1.615 20 5 CDBDRO Cc1cc(NC(=O)N[C@H](C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000415432771 391431937 /nfs/dbraw/zinc/43/19/37/391431937.db2.gz LVZMISAOMURQPS-SECBINFHSA-N 1 0 266.301 1.762 20 5 CDBDRO COc1ccc(NC(=O)NC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000415452631 391458858 /nfs/dbraw/zinc/45/88/58/391458858.db2.gz YQJQVZMQBSCWRL-JTQLQIEISA-N 1 0 296.327 1.708 20 5 CDBDRO [NH3+]CCCCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415629365 391469492 /nfs/dbraw/zinc/46/94/92/391469492.db2.gz HVZFYNZZUOCLSU-UHFFFAOYSA-N 1 0 270.264 1.594 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415637139 391470397 /nfs/dbraw/zinc/47/03/97/391470397.db2.gz ZAULUHATVMLUJX-ZETCQYMHSA-N 1 0 270.264 1.450 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC1C[NH2+]C1 ZINC000415768453 391471384 /nfs/dbraw/zinc/47/13/84/391471384.db2.gz VPQCZNMUGVFPPK-UHFFFAOYSA-N 1 0 278.312 1.498 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000129251734 391640660 /nfs/dbraw/zinc/64/06/60/391640660.db2.gz LCYFVMVBODVVAO-ZFAUCMQBSA-N 1 0 289.335 1.946 20 5 CDBDRO Cc1nc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000294828912 391723787 /nfs/dbraw/zinc/72/37/87/391723787.db2.gz AJIRSOYOQUHYTJ-PWSUYJOCSA-N 1 0 291.355 1.756 20 5 CDBDRO CC[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304346215 130087275 /nfs/dbraw/zinc/08/72/75/130087275.db2.gz QJDXIJPGNHCMEH-DGCLKSJQSA-N 1 0 282.344 1.274 20 5 CDBDRO C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000190430826 130103679 /nfs/dbraw/zinc/10/36/79/130103679.db2.gz ADVGSFHOMLWNFL-DGCLKSJQSA-N 1 0 280.324 1.676 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000228670309 391931000 /nfs/dbraw/zinc/93/10/00/391931000.db2.gz GDDYAQORSPIDDF-CYBMUJFWSA-N 1 0 283.328 1.328 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000237602632 131046026 /nfs/dbraw/zinc/04/60/26/131046026.db2.gz OGSYFCLPSJABMS-WDEREUQCSA-N 1 0 293.323 1.182 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H](C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000237990453 131070839 /nfs/dbraw/zinc/07/08/39/131070839.db2.gz YUIFVQSBFFIQCH-VXGBXAGGSA-N 1 0 277.324 1.381 20 5 CDBDRO [NH3+]CCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000238027382 131073603 /nfs/dbraw/zinc/07/36/03/131073603.db2.gz NOEXSSWSTSCFEQ-UHFFFAOYSA-N 1 0 285.731 1.646 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261584988 131153972 /nfs/dbraw/zinc/15/39/72/131153972.db2.gz ICIYHIILDOYYNY-SCZZXKLOSA-N 1 0 281.337 1.338 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261770370 131167726 /nfs/dbraw/zinc/16/77/26/131167726.db2.gz VZNINCFRCIJCEW-VHSXEESVSA-N 1 0 293.298 1.415 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000262416597 131219442 /nfs/dbraw/zinc/21/94/42/131219442.db2.gz REOIFMXPMNSUMU-PRHODGIISA-N 1 0 278.312 1.047 20 5 CDBDRO CCc1ccc(C(=O)N[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000262546959 131231736 /nfs/dbraw/zinc/23/17/36/131231736.db2.gz VSZFDDVUKMZHCK-QMMMGPOBSA-N 1 0 251.286 1.234 20 5 CDBDRO NC(=O)c1c[nH+]ccc1NCCc1ccccc1[N+](=O)[O-] ZINC000548722972 392504819 /nfs/dbraw/zinc/50/48/19/392504819.db2.gz ZHXPEAPJNUXGAC-UHFFFAOYSA-N 1 0 286.291 1.165 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCN1c1c([N+](=O)[O-])nc(C)n1CC ZINC000549636859 392597899 /nfs/dbraw/zinc/59/78/99/392597899.db2.gz HCHMSFSROOSAGJ-NSHDSACASA-N 1 0 281.360 1.650 20 5 CDBDRO C[C@H]1[C@@H](CO)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000488717183 392722046 /nfs/dbraw/zinc/72/20/46/392722046.db2.gz KUIZWLDHNFPYGW-NWDGAFQWSA-N 1 0 280.324 1.676 20 5 CDBDRO [NH3+][C@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000420167125 392900125 /nfs/dbraw/zinc/90/01/25/392900125.db2.gz IXLKJZXRGYWRKF-QMMMGPOBSA-N 1 0 259.269 1.075 20 5 CDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCCC[NH3+] ZINC000420229891 392908508 /nfs/dbraw/zinc/90/85/08/392908508.db2.gz HNEJNKIQZBFRSX-UHFFFAOYSA-N 1 0 287.341 1.149 20 5 CDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000268861688 132078839 /nfs/dbraw/zinc/07/88/39/132078839.db2.gz ROEOEPYOQOUEBH-WCQYABFASA-N 1 0 291.351 1.736 20 5 CDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c1[N+](=O)[O-] ZINC000269302139 132152153 /nfs/dbraw/zinc/15/21/53/132152153.db2.gz XZSKTHOUTIKPKK-RKDXNWHRSA-N 1 0 295.343 1.080 20 5 CDBDRO COC[C@](C)(O)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000527039384 392973576 /nfs/dbraw/zinc/97/35/76/392973576.db2.gz OZYDEVJAAYYPHJ-WASHYIJTSA-N 1 0 294.351 1.985 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000423589324 392964775 /nfs/dbraw/zinc/96/47/75/392964775.db2.gz HEWMSXYLTKCLGP-AAEUAGOBSA-N 1 0 291.351 1.939 20 5 CDBDRO C[N@H+](CCn1ccc(=O)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000430103431 393090763 /nfs/dbraw/zinc/09/07/63/393090763.db2.gz PVYSQIFLIOTSMM-UHFFFAOYSA-N 1 0 287.319 1.889 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC1(O)CCC1 ZINC000430224351 393095087 /nfs/dbraw/zinc/09/50/87/393095087.db2.gz JPJUTGHNYBJFBZ-UHFFFAOYSA-N 1 0 280.324 1.950 20 5 CDBDRO O=[N+]([O-])c1cccc(OCCN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000430569020 393100651 /nfs/dbraw/zinc/10/06/51/393100651.db2.gz LINCTOBBBXVDDL-OLZOCXBDSA-N 1 0 291.351 1.800 20 5 CDBDRO COC[C@@](C)(O)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000532500348 393074311 /nfs/dbraw/zinc/07/43/11/393074311.db2.gz PXLMXXWLMUCQKS-DOMZBBRYSA-N 1 0 296.367 1.903 20 5 CDBDRO COc1cccc(C(=O)NCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000195334030 393171483 /nfs/dbraw/zinc/17/14/83/393171483.db2.gz LELONVKLRMDEFQ-UHFFFAOYSA-N 1 0 293.323 1.429 20 5 CDBDRO Cn1c(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000449638408 393135664 /nfs/dbraw/zinc/13/56/64/393135664.db2.gz KNOBFDFBUMVDOS-UWVGGRQHSA-N 1 0 280.328 1.181 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000449721244 393138889 /nfs/dbraw/zinc/13/88/89/393138889.db2.gz UAOGFPJQDHXVKD-GHMZBOCLSA-N 1 0 292.339 1.250 20 5 CDBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCN1CCCC1=O ZINC000285368278 393195992 /nfs/dbraw/zinc/19/59/92/393195992.db2.gz QTRMFZPIGKQECS-UHFFFAOYSA-N 1 0 291.351 1.692 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000350597427 393199793 /nfs/dbraw/zinc/19/97/93/393199793.db2.gz KIDJTADXMBTMKI-JTQLQIEISA-N 1 0 295.343 1.262 20 5 CDBDRO CO[C@H]1C[NH+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000487978279 393377415 /nfs/dbraw/zinc/37/74/15/393377415.db2.gz XIVUPTBRALFLFA-KBPBESRZSA-N 1 0 296.323 1.319 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000165289579 139924702 /nfs/dbraw/zinc/92/47/02/139924702.db2.gz GJPJQEFFJGBCCI-UHFFFAOYSA-N 1 0 269.276 1.415 20 5 CDBDRO Cc1nc(N2CC[C@@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000261585246 140356500 /nfs/dbraw/zinc/35/65/00/140356500.db2.gz SWQRIKMWRIEVJV-LBPRGKRZSA-N 1 0 250.302 1.473 20 5 CDBDRO C[NH2+][C@H](C)Cc1noc(COc2ccc([N+](=O)[O-])cc2)n1 ZINC000261849393 140398764 /nfs/dbraw/zinc/39/87/64/140398764.db2.gz SSFZWOSSMYNVGG-SECBINFHSA-N 1 0 292.295 1.707 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000283561475 397606354 /nfs/dbraw/zinc/60/63/54/397606354.db2.gz ZDQCJUHKQOZXPH-JARNTUPDSA-N 1 0 263.297 1.332 20 5 CDBDRO CCc1nn(C)c(N2CCC[C@H](CC[NH3+])C2)c1[N+](=O)[O-] ZINC000091562148 146985744 /nfs/dbraw/zinc/98/57/44/146985744.db2.gz ROSCVLIBGMEFHY-SNVBAGLBSA-N 1 0 281.360 1.456 20 5 CDBDRO [NH3+]CCCOC1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000094070686 147076286 /nfs/dbraw/zinc/07/62/86/147076286.db2.gz KPOKJXMXTCSODF-UHFFFAOYSA-N 1 0 299.396 1.986 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000262004814 148998424 /nfs/dbraw/zinc/99/84/24/148998424.db2.gz NTGHOAWTMODTBS-ZDUSSCGKSA-N 1 0 296.302 1.127 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000262808261 149116326 /nfs/dbraw/zinc/11/63/26/149116326.db2.gz QKZDBCFFFXMGJB-GHMZBOCLSA-N 1 0 277.324 1.726 20 5 CDBDRO Cc1cc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000320014003 292929655 /nfs/dbraw/zinc/92/96/55/292929655.db2.gz AJQMHFOLYXWZIR-ZJUUUORDSA-N 1 0 265.313 1.759 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1 ZINC000344008269 152386984 /nfs/dbraw/zinc/38/69/84/152386984.db2.gz AMERUHZZVRDUER-CQDKDKBSSA-N 1 0 292.335 1.676 20 5 CDBDRO Cc1cc(C(=O)N[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000346286396 153125650 /nfs/dbraw/zinc/12/56/50/153125650.db2.gz ZOBTYBSCCTXFRN-SNVBAGLBSA-N 1 0 265.313 1.583 20 5 CDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000354004993 156218456 /nfs/dbraw/zinc/21/84/56/156218456.db2.gz DJQNNHHKLNTMAR-VIFPVBQESA-N 1 0 283.353 1.823 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000363618955 159334273 /nfs/dbraw/zinc/33/42/73/159334273.db2.gz GBIKYIODKKXGMD-CHWSQXEVSA-N 1 0 289.335 1.951 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC000261603565 292421257 /nfs/dbraw/zinc/42/12/57/292421257.db2.gz CJHLVBLAMSYNJH-NWDGAFQWSA-N 1 0 289.335 1.585 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000373051628 160168468 /nfs/dbraw/zinc/16/84/68/160168468.db2.gz KUMPTNDYOHQSCX-BXUZGUMPSA-N 1 0 289.335 1.727 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000374412282 160283916 /nfs/dbraw/zinc/28/39/16/160283916.db2.gz RCHOPMVJMKFNMZ-GHMZBOCLSA-N 1 0 280.328 1.187 20 5 CDBDRO C[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284848557 196143023 /nfs/dbraw/zinc/14/30/23/196143023.db2.gz ABBAKSLJPXPPQW-IMSIIYSGSA-N 1 0 295.339 1.368 20 5 CDBDRO CC[C@H](O)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285275004 196238557 /nfs/dbraw/zinc/23/85/57/196238557.db2.gz QZVMAGPDIPXAAK-ONGXEEELSA-N 1 0 267.329 1.989 20 5 CDBDRO CSCC[C@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000040464070 174273150 /nfs/dbraw/zinc/27/31/50/174273150.db2.gz DQGXSCAMJZSKBW-NSHDSACASA-N 1 0 283.353 1.291 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000040623756 174355364 /nfs/dbraw/zinc/35/53/64/174355364.db2.gz KOWCGONNLGQQIU-SNVBAGLBSA-N 1 0 265.317 1.527 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[C@H]2O)cc1 ZINC000040676086 174373914 /nfs/dbraw/zinc/37/39/14/174373914.db2.gz WVIXXCYWQPDMCA-CHWSQXEVSA-N 1 0 250.298 1.640 20 5 CDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)C1CC[NH2+]CC1 ZINC000043571121 175068361 /nfs/dbraw/zinc/06/83/61/175068361.db2.gz URVWFLUMRKFNLU-UHFFFAOYSA-N 1 0 295.314 1.948 20 5 CDBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])o1 ZINC000044492308 175181072 /nfs/dbraw/zinc/18/10/72/175181072.db2.gz DFTWXUMIBHNVID-MRVPVSSYSA-N 1 0 253.258 1.060 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000044502000 175185829 /nfs/dbraw/zinc/18/58/29/175185829.db2.gz CVQIIFOMJSRYIT-JTQLQIEISA-N 1 0 263.297 1.324 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000077900293 177308633 /nfs/dbraw/zinc/30/86/33/177308633.db2.gz JDQHIIKSHVSTHQ-GFCCVEGCSA-N 1 0 277.324 1.614 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000313309935 260282266 /nfs/dbraw/zinc/28/22/66/260282266.db2.gz BTHXYEOMFFYDET-UXFRKABBSA-N 1 0 289.335 1.804 20 5 CDBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000390103551 262122516 /nfs/dbraw/zinc/12/25/16/262122516.db2.gz IINQMPRAOPGZQH-LBPRGKRZSA-N 1 0 294.311 1.095 20 5 CDBDRO COc1cccc(C(=O)N[C@H](C)CC[NH3+])c1[N+](=O)[O-] ZINC000521434349 262336238 /nfs/dbraw/zinc/33/62/38/262336238.db2.gz RKKSUVYITJMMHI-MRVPVSSYSA-N 1 0 267.285 1.071 20 5 CDBDRO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000042509324 270225543 /nfs/dbraw/zinc/22/55/43/270225543.db2.gz JIAHHWVDQOGEEM-LLVKDONJSA-N 1 0 277.324 1.809 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000397165658 270346728 /nfs/dbraw/zinc/34/67/28/270346728.db2.gz BGAAWULBTQOOKB-UHFFFAOYSA-N 1 0 265.313 1.381 20 5 CDBDRO Cc1c(C(=O)NCC[N@H+]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000524719862 270601779 /nfs/dbraw/zinc/60/17/79/270601779.db2.gz NQURVYQCBRRUOQ-LLVKDONJSA-N 1 0 291.351 1.975 20 5 CDBDRO C[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[C@H](C)[NH3+] ZINC000192055429 274195116 /nfs/dbraw/zinc/19/51/16/274195116.db2.gz AIAWIXLNWYLOGQ-BDAKNGLRSA-N 1 0 263.297 1.467 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186687469 274565562 /nfs/dbraw/zinc/56/55/62/274565562.db2.gz QINARFFJUWVIOM-JOYOIKCWSA-N 1 0 263.297 1.323 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](C2CCC2)CC1 ZINC000265008629 274724351 /nfs/dbraw/zinc/72/43/51/274724351.db2.gz WMOJMHDZADXUKK-UHFFFAOYSA-N 1 0 276.340 1.973 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[NH2+]C3)ccc2c1 ZINC000052093804 275038980 /nfs/dbraw/zinc/03/89/80/275038980.db2.gz REDRJGZITHCRET-SNVBAGLBSA-N 1 0 258.281 1.917 20 5 CDBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000355706428 275722551 /nfs/dbraw/zinc/72/25/51/275722551.db2.gz QIGVWVFTXQZLAM-SECBINFHSA-N 1 0 297.359 1.369 20 5 CDBDRO CC[N@H+](CCNC(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000263716660 276130340 /nfs/dbraw/zinc/13/03/40/276130340.db2.gz LAOJMAPKFLCZBM-UHFFFAOYSA-N 1 0 277.324 1.809 20 5 CDBDRO CC[NH2+]CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269153981 276266323 /nfs/dbraw/zinc/26/63/23/276266323.db2.gz SAIPMDLOMNDSQH-UHFFFAOYSA-N 1 0 277.280 1.680 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[NH+](C)C ZINC000286848616 276381938 /nfs/dbraw/zinc/38/19/38/276381938.db2.gz AUVOHINUDJPXSD-JTQLQIEISA-N 1 0 295.339 1.673 20 5 CDBDRO CC[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000268750122 276542087 /nfs/dbraw/zinc/54/20/87/276542087.db2.gz UPDOWMPYQLAWRO-GFCCVEGCSA-N 1 0 277.324 1.824 20 5 CDBDRO C[NH2+]CCN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423242847 277272577 /nfs/dbraw/zinc/27/25/77/277272577.db2.gz JKKNELRIMUIFHP-QWRGUYRKSA-N 1 0 267.333 1.084 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000148833780 277274006 /nfs/dbraw/zinc/27/40/06/277274006.db2.gz HWAQOTVALFWZRX-SNVBAGLBSA-N 1 0 265.313 1.109 20 5 CDBDRO CC1(C)CCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000191302882 278247940 /nfs/dbraw/zinc/24/79/40/278247940.db2.gz QPWTUMVFWBUOQS-GFCCVEGCSA-N 1 0 279.340 1.925 20 5 CDBDRO C[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251653121 278813460 /nfs/dbraw/zinc/81/34/60/278813460.db2.gz GNJBQOBGJFRGRQ-HTQZYQBOSA-N 1 0 281.341 1.478 20 5 CDBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550553 279079146 /nfs/dbraw/zinc/07/91/46/279079146.db2.gz QZJWYOVAPZAXET-NWDGAFQWSA-N 1 0 279.340 1.877 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269200954 279292332 /nfs/dbraw/zinc/29/23/32/279292332.db2.gz KHCFAPKWEZQLMV-MRVPVSSYSA-N 1 0 277.280 1.760 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000449304683 279382910 /nfs/dbraw/zinc/38/29/10/279382910.db2.gz PGROOFRSOMLKQM-WZRBSPASSA-N 1 0 291.351 1.783 20 5 CDBDRO O=C(C[C@@H]1CC[NH2+]C1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000127856376 279545121 /nfs/dbraw/zinc/54/51/21/279545121.db2.gz OWGCDQIMHZDBNE-NSHDSACASA-N 1 0 292.339 1.123 20 5 CDBDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000235669611 280012656 /nfs/dbraw/zinc/01/26/56/280012656.db2.gz GFBGPTZJYAQCRU-VHSXEESVSA-N 1 0 299.352 1.014 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000194739426 280052624 /nfs/dbraw/zinc/05/26/24/280052624.db2.gz LDAHEHODZNMBGG-GFCCVEGCSA-N 1 0 263.297 1.419 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373061496 280213879 /nfs/dbraw/zinc/21/38/79/280213879.db2.gz ZNRKYKYKVPYJLL-JQWIXIFHSA-N 1 0 275.308 1.419 20 5 CDBDRO Cc1ccnc(NC2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC000070495720 281469961 /nfs/dbraw/zinc/46/99/61/281469961.db2.gz JJTXDSPVDRLZAC-UHFFFAOYSA-N 1 0 250.302 1.980 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000561008956 293043416 /nfs/dbraw/zinc/04/34/16/293043416.db2.gz WYIQTKSJXRVHHU-SNVBAGLBSA-N 1 0 294.311 1.429 20 5 CDBDRO [NH3+]C[C@@H](Cn1cnc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000563080844 293266394 /nfs/dbraw/zinc/26/63/94/293266394.db2.gz HQCXOUQPLAOSEC-JTQLQIEISA-N 1 0 264.260 1.673 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000237830738 295244872 /nfs/dbraw/zinc/24/48/72/295244872.db2.gz KKGGRUUMXVQCRQ-NSHDSACASA-N 1 0 292.339 1.347 20 5 CDBDRO CC/C=C\C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000563529892 316325103 /nfs/dbraw/zinc/32/51/03/316325103.db2.gz KCSSHNPSZLCBJK-SCOBNMCVSA-N 1 0 280.324 1.890 20 5 CDBDRO CC1(C)C[C@@H](NC2C[NH2+]C2)c2cc([N+](=O)[O-])ccc21 ZINC000566087916 316470596 /nfs/dbraw/zinc/47/05/96/316470596.db2.gz DSCBWDAAFHLEHR-CYBMUJFWSA-N 1 0 261.325 1.879 20 5 CDBDRO COc1cccc(C(=O)N(C)[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000575915689 317037344 /nfs/dbraw/zinc/03/73/44/317037344.db2.gz KZUYLZCNVXJNNE-VIFPVBQESA-N 1 0 279.296 1.037 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000576332219 317119099 /nfs/dbraw/zinc/11/90/99/317119099.db2.gz NBRSXZXLQTVGDV-GFCCVEGCSA-N 1 0 276.340 1.816 20 5 CDBDRO CNc1ccc(C(=O)N(C)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000576397027 317130764 /nfs/dbraw/zinc/13/07/64/317130764.db2.gz AFHSUIIYWNMHPD-JTQLQIEISA-N 1 0 278.312 1.070 20 5 CDBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCO1 ZINC000182387173 323278321 /nfs/dbraw/zinc/27/83/21/323278321.db2.gz NLNVFTCEURETEP-OLZOCXBDSA-N 1 0 295.339 1.304 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000379469200 323599893 /nfs/dbraw/zinc/59/98/93/323599893.db2.gz NTHXUZSGUNWDLD-DTWKUNHWSA-N 1 0 281.287 1.556 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000382451793 323641667 /nfs/dbraw/zinc/64/16/67/323641667.db2.gz FYWVNXKUTYEJBZ-UWVGGRQHSA-N 1 0 278.312 1.986 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000578980754 324071321 /nfs/dbraw/zinc/07/13/21/324071321.db2.gz PNUQFVSCKARUCK-UWVGGRQHSA-N 1 0 292.339 1.398 20 5 CDBDRO CSC[C@@H](O)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000579583974 324223526 /nfs/dbraw/zinc/22/35/26/324223526.db2.gz UIGGBRLHRAOFBJ-VIFPVBQESA-N 1 0 296.352 1.285 20 5 CDBDRO Cc1c(CNC(=O)NC[C@@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000418085324 533857638 /nfs/dbraw/zinc/85/76/38/533857638.db2.gz XQBWOYMMPCAPAH-VIFPVBQESA-N 1 0 280.328 1.297 20 5 CDBDRO CC(C)(C)[C@@H](CCO)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000183680770 518915070 /nfs/dbraw/zinc/91/50/70/518915070.db2.gz MYOUPRGJXHHAOV-SNVBAGLBSA-N 1 0 270.333 1.178 20 5 CDBDRO CC(C)C[C@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000157473324 519364948 /nfs/dbraw/zinc/36/49/48/519364948.db2.gz QCBJNEMIGUYPKY-AWEZNQCLSA-N 1 0 291.351 1.853 20 5 CDBDRO CC(C)C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000020125424 519501770 /nfs/dbraw/zinc/50/17/70/519501770.db2.gz HHYYITBVYDGUHV-UHFFFAOYSA-N 1 0 265.313 1.457 20 5 CDBDRO CCN(C)C(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000184702237 520175995 /nfs/dbraw/zinc/17/59/95/520175995.db2.gz JWQBJBGMSFTQIQ-JTQLQIEISA-N 1 0 265.313 1.724 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000236763383 521649947 /nfs/dbraw/zinc/64/99/47/521649947.db2.gz MWUZHRBFFUHMSK-UHFFFAOYSA-N 1 0 295.339 1.607 20 5 CDBDRO CNc1c(C(=O)N[C@H](C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000161466476 522540488 /nfs/dbraw/zinc/54/04/88/522540488.db2.gz AMISDOLBXPZOSP-SNVBAGLBSA-N 1 0 294.355 1.707 20 5 CDBDRO CN(CCC[NH+]1CCCC1)CCn1ccc([N+](=O)[O-])n1 ZINC000337276034 522747549 /nfs/dbraw/zinc/74/75/49/522747549.db2.gz QQIGFUNRRDPVLX-UHFFFAOYSA-N 1 0 281.360 1.209 20 5 CDBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000068806526 523891069 /nfs/dbraw/zinc/89/10/69/523891069.db2.gz UFCHWXONBMROHB-CYBMUJFWSA-N 1 0 264.329 1.253 20 5 CDBDRO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000235662124 524524590 /nfs/dbraw/zinc/52/45/90/524524590.db2.gz HNAVCVHCUPPTQD-WRWORJQWSA-N 1 0 267.260 1.153 20 5 CDBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000337295328 524585825 /nfs/dbraw/zinc/58/58/25/524585825.db2.gz AIVJHYFDDISTLA-GWCFXTLKSA-N 1 0 293.323 1.236 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NC1CCC([NH3+])CC1 ZINC000052812139 525575970 /nfs/dbraw/zinc/57/59/70/525575970.db2.gz WXBUJYGCFHYSRQ-UHFFFAOYSA-N 1 0 250.302 1.980 20 5 CDBDRO C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@@H]1CCC[NH2+]C1 ZINC000226779496 525730712 /nfs/dbraw/zinc/73/07/12/525730712.db2.gz XRVSFJPPLBQECU-HTQZYQBOSA-N 1 0 256.331 1.851 20 5 CDBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000247114243 525770944 /nfs/dbraw/zinc/77/09/44/525770944.db2.gz JEPNYSKEITYARJ-STQMWFEESA-N 1 0 293.367 1.482 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000414658298 536451532 /nfs/dbraw/zinc/45/15/32/536451532.db2.gz QGYIEURPRKPUBO-SECBINFHSA-N 1 0 296.327 1.580 20 5 CDBDRO CNC(=O)CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000268877663 536490157 /nfs/dbraw/zinc/49/01/57/536490157.db2.gz ZCDYTYXXKZBOGY-JTQLQIEISA-N 1 0 265.313 1.772 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000221454846 526907896 /nfs/dbraw/zinc/90/78/96/526907896.db2.gz KUAWHUPTXFITRK-WCBMZHEXSA-N 1 0 281.337 1.480 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000069136876 527351845 /nfs/dbraw/zinc/35/18/45/527351845.db2.gz SXLOUWCXYCDEAX-LLVKDONJSA-N 1 0 284.337 1.262 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000050228729 527362283 /nfs/dbraw/zinc/36/22/83/527362283.db2.gz RLHXNPPCZUPCLM-SSDOTTSWSA-N 1 0 269.688 1.421 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](CO)c2ccccc2)c1 ZINC000182895621 527413691 /nfs/dbraw/zinc/41/36/91/527413691.db2.gz WMRAINUDZRVNNN-ZDUSSCGKSA-N 1 0 276.296 1.115 20 5 CDBDRO C[NH2+][C@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000261762330 536413070 /nfs/dbraw/zinc/41/30/70/536413070.db2.gz NCQYJKMKEWTFMW-JTQLQIEISA-N 1 0 267.304 1.918 20 5 CDBDRO C[NH+](C)[C@@H](CNc1nc2ccccn2c1[N+](=O)[O-])C1CC1 ZINC000730098777 574849174 /nfs/dbraw/zinc/84/91/74/574849174.db2.gz QGKAYVOSMMMCDG-NSHDSACASA-N 1 0 289.339 1.995 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000734165384 575161444 /nfs/dbraw/zinc/16/14/44/575161444.db2.gz YBBNGDIVIUKYFV-LBPRGKRZSA-N 1 0 250.298 1.764 20 5 CDBDRO C[NH+](C)C[C@H](O)CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000771069163 575543416 /nfs/dbraw/zinc/54/34/16/575543416.db2.gz YTZZHRKPZALWGB-SNVBAGLBSA-N 1 0 290.323 1.477 20 5 CDBDRO C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000761084210 576545193 /nfs/dbraw/zinc/54/51/93/576545193.db2.gz YRCSPEFLHXRHJB-LBPRGKRZSA-N 1 0 279.340 1.610 20 5 CDBDRO NC(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000746473416 576778135 /nfs/dbraw/zinc/77/81/35/576778135.db2.gz UZCXOOGERMXUGA-UHFFFAOYSA-N 1 0 263.297 1.483 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)OCCC[NH+](C)C ZINC000747381801 576867891 /nfs/dbraw/zinc/86/78/91/576867891.db2.gz QUGRCUOHNQWWGT-UHFFFAOYSA-N 1 0 282.296 1.712 20 5 CDBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000755170502 576934192 /nfs/dbraw/zinc/93/41/92/576934192.db2.gz SKJCKJVXLYYCKR-ZLKJLUDKSA-N 1 0 280.324 1.785 20 5 CDBDRO Cc1ccc(CN[C@H](CO)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000756994013 577019200 /nfs/dbraw/zinc/01/92/00/577019200.db2.gz JPTAQDQYAAVHRF-CYBMUJFWSA-N 1 0 290.323 1.460 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2(O)CCC2)cc1 ZINC000124426314 1175331290 /nfs/dbraw/zinc/33/12/90/1175331290.db2.gz AAQGRDBVQZVTQR-GFCCVEGCSA-N 1 0 266.297 1.133 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000893221895 617473490 /nfs/dbraw/zinc/47/34/90/617473490.db2.gz SFEAGIRKISOZMQ-MWLCHTKSSA-N 1 0 296.323 1.966 20 5 CDBDRO COCC[C@H](C)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892784143 617744492 /nfs/dbraw/zinc/74/44/92/617744492.db2.gz HAOMJOOWNWWXIF-VIFPVBQESA-N 1 0 284.312 1.824 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000892821727 617783136 /nfs/dbraw/zinc/78/31/36/617783136.db2.gz FCGJGFXBARMBBV-ZJUUUORDSA-N 1 0 267.333 1.613 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNc2ccc3nonc3c2[N+](=O)[O-])C1 ZINC000892421188 618177231 /nfs/dbraw/zinc/17/72/31/618177231.db2.gz GAOJDYKOTALLEZ-SECBINFHSA-N 1 0 291.311 1.885 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000843057822 618691915 /nfs/dbraw/zinc/69/19/15/618691915.db2.gz LWAQXPJMTPWPRJ-RNCFNFMXSA-N 1 0 299.758 1.796 20 5 CDBDRO C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000928555415 619363974 /nfs/dbraw/zinc/36/39/74/619363974.db2.gz JQGMKWNNGHNLNJ-GWCFXTLKSA-N 1 0 277.324 1.519 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[NH+](C)C)c1C ZINC000895681294 619802550 /nfs/dbraw/zinc/80/25/50/619802550.db2.gz PYTBFVUXALNLPO-SNVBAGLBSA-N 1 0 279.340 1.892 20 5 CDBDRO C[C@@H](C[NH2+]CC[N+](=O)[O-])N1CCc2sccc2C1 ZINC000899869894 622496309 /nfs/dbraw/zinc/49/63/09/622496309.db2.gz JKOFMUSRJAJNAF-JTQLQIEISA-N 1 0 269.370 1.361 20 5 CDBDRO Cc1c([C@H](C)[NH2+]CCCON)cccc1[N+](=O)[O-] ZINC000902418759 624783883 /nfs/dbraw/zinc/78/38/83/624783883.db2.gz MIOJIENQLKLABW-JTQLQIEISA-N 1 0 253.302 1.834 20 5 CDBDRO CC(C)C[C@H]1C[N@H+](C)CCN1Cn1cc([N+](=O)[O-])cn1 ZINC000902541641 624905617 /nfs/dbraw/zinc/90/56/17/624905617.db2.gz JBJADAPTZNMOQA-LBPRGKRZSA-N 1 0 281.360 1.411 20 5 CDBDRO O=C(CCC[NH2+]CC[N+](=O)[O-])Nc1ccc(Cl)cc1 ZINC000905056342 626606103 /nfs/dbraw/zinc/60/61/03/626606103.db2.gz YDYJZTWFMIVDTM-UHFFFAOYSA-N 1 0 285.731 1.925 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000905206288 626691725 /nfs/dbraw/zinc/69/17/25/626691725.db2.gz BUVFUXXHHXFVLN-CHWSQXEVSA-N 1 0 268.288 1.912 20 5 CDBDRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]CC[N+](=O)[O-])CC1 ZINC000905402242 626797757 /nfs/dbraw/zinc/79/77/57/626797757.db2.gz AKJAZZTVQNDEJQ-XYPYZODXSA-N 1 0 287.360 1.689 20 5 CDBDRO [NH3+]CCCSCCC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000912272723 629880882 /nfs/dbraw/zinc/88/08/82/629880882.db2.gz WNZZRDCPVSTKTP-UHFFFAOYSA-N 1 0 297.380 1.683 20 5 CDBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000912805060 630217234 /nfs/dbraw/zinc/21/72/34/630217234.db2.gz IGQJKQWXXRPGAH-FDYHWXHSSA-N 1 0 283.372 1.230 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(N3C[C@H]4C[NH2+]C[C@@H]4C3)sc2c1 ZINC000731206518 631612835 /nfs/dbraw/zinc/61/28/35/631612835.db2.gz KKUXVEHRWLHXKS-RKDXNWHRSA-N 1 0 290.348 1.860 20 5 CDBDRO C[N@@H+]1CC[C@H](Nc2cc([N+](=O)[O-])cc(Cl)n2)C1 ZINC000234322614 1158778804 /nfs/dbraw/zinc/77/88/04/1158778804.db2.gz LKHKHHJCBLJCFR-ZETCQYMHSA-N 1 0 256.693 1.759 20 5 CDBDRO COc1cnc(N(C(C)C)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001158026062 1162686934 /nfs/dbraw/zinc/68/69/34/1162686934.db2.gz RLVNEKMCRGRBLQ-SNVBAGLBSA-N 1 0 280.328 1.575 20 5 CDBDRO [NH3+]CCc1cnn(-c2cnc(Cl)cc2[N+](=O)[O-])c1 ZINC001168945840 1161994603 /nfs/dbraw/zinc/99/46/03/1161994603.db2.gz DMJOHVOXRKUQJL-UHFFFAOYSA-N 1 0 267.676 1.330 20 5 CDBDRO CC(C)n1cnc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168999874 1161997063 /nfs/dbraw/zinc/99/70/63/1161997063.db2.gz VZNFROSMYMVYGJ-NEPJUHHUSA-N 1 0 266.345 1.999 20 5 CDBDRO Cc1c(C)c(N[C@H]2COCCC23C[NH2+]C3)ncc1[N+](=O)[O-] ZINC001155469345 1167183096 /nfs/dbraw/zinc/18/30/96/1167183096.db2.gz NTLUZOXURZDRAD-LBPRGKRZSA-N 1 0 292.339 1.397 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(NC[C@@]23C[NH2+][C@@H](CO2)C3)nc1Cl ZINC001155541874 1167223009 /nfs/dbraw/zinc/22/30/09/1167223009.db2.gz UEQYQURHMRUVNJ-PRHODGIISA-N 1 0 298.730 1.494 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]([NH3+])C[C@H]1C ZINC001579180761 1172110681 /nfs/dbraw/zinc/11/06/81/1172110681.db2.gz QRFQURHHWWIHPW-KOLCDFICSA-N 1 0 265.313 1.525 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC001579242452 1172122555 /nfs/dbraw/zinc/12/25/55/1172122555.db2.gz NLQKMZCEZATCPW-NWDGAFQWSA-N 1 0 293.323 1.347 20 5 CDBDRO Cc1cc(NC(=O)N2CCO[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC001579629948 1172228052 /nfs/dbraw/zinc/22/80/52/1172228052.db2.gz DOLWTPIIWXRNOB-GFCCVEGCSA-N 1 0 294.311 1.095 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)C[NH3+])c1C ZINC001579734789 1172250016 /nfs/dbraw/zinc/25/00/16/1172250016.db2.gz MADSKKTYTLQOQU-UHFFFAOYSA-N 1 0 265.313 1.679 20 5 CDBDRO [NH3+]CC1(NC(=O)c2ccc([N+](=O)[O-])cn2)CCCCC1 ZINC001580245221 1172381897 /nfs/dbraw/zinc/38/18/97/1172381897.db2.gz FTEIYXLTZUOHNC-UHFFFAOYSA-N 1 0 278.312 1.381 20 5 CDBDRO C[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000134756156 1175820137 /nfs/dbraw/zinc/82/01/37/1175820137.db2.gz HLXTZABWFVKTQW-MFKMUULPSA-N 1 0 267.329 1.168 20 5 CDBDRO Nc1nc(NCC[NH+]2CCSCC2)ccc1[N+](=O)[O-] ZINC000230940953 1178159936 /nfs/dbraw/zinc/15/99/36/1178159936.db2.gz XFGFWNPQUAILTR-UHFFFAOYSA-N 1 0 283.357 1.033 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@H](C[NH3+])C2)c1 ZINC000155920631 1178167808 /nfs/dbraw/zinc/16/78/08/1178167808.db2.gz NIXONYPRQZIHLI-VIFPVBQESA-N 1 0 251.286 1.388 20 5 CDBDRO Cc1nc(Cl)nc(N(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000234230974 1178214854 /nfs/dbraw/zinc/21/48/54/1178214854.db2.gz ZRJBGDXNBPJJJU-UHFFFAOYSA-N 1 0 273.724 1.344 20 5 CDBDRO CN(CC[NH+]1CCCC1)c1nc(Cl)ncc1[N+](=O)[O-] ZINC000234306304 1178216910 /nfs/dbraw/zinc/21/69/10/1178216910.db2.gz YQOHPRPTNBCFCI-UHFFFAOYSA-N 1 0 285.735 1.570 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000401318837 1184134217 /nfs/dbraw/zinc/13/42/17/1184134217.db2.gz FMEITBIUZLBWAG-VGMNWLOBSA-N 1 0 267.285 1.399 20 5 CDBDRO C[C@@H]1[NH2+]C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])o2)[C@H]1C ZINC000401318835 1184134292 /nfs/dbraw/zinc/13/42/92/1184134292.db2.gz FMEITBIUZLBWAG-CIUDSAMLSA-N 1 0 267.285 1.399 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000401211990 1186407018 /nfs/dbraw/zinc/40/70/18/1186407018.db2.gz AMGBLAVWOPPNHM-GARJFASQSA-N 1 0 277.324 1.806 20 5 CDBDRO Nc1ccc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)nc1[N+](=O)[O-] ZINC000312471159 1186699937 /nfs/dbraw/zinc/69/99/37/1186699937.db2.gz GTVBQISCARTNEW-QWRGUYRKSA-N 1 0 277.328 1.611 20 5 CDBDRO COc1cnc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001164631837 719191831 /nfs/dbraw/zinc/19/18/31/719191831.db2.gz CMNLFPRZJSEXPP-NXEZZACHSA-N 1 0 280.328 1.527 20 5 CDBDRO Cc1ccnc(N2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000265169404 721887923 /nfs/dbraw/zinc/88/79/23/721887923.db2.gz GVHAZJSWIRWHTD-LLVKDONJSA-N 1 0 264.329 1.829 20 5 CDBDRO CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000228393016 1164458806 /nfs/dbraw/zinc/45/88/06/1164458806.db2.gz RYMWUZZJBHLJJH-AWEZNQCLSA-N 1 0 291.351 1.738 20 5 CDBDRO Cc1cc(F)cc(C(=O)N(C)CCOCC[NH3+])c1[N+](=O)[O-] ZINC000877057484 1165966607 /nfs/dbraw/zinc/96/66/07/1165966607.db2.gz GAUMOGGDZUZSME-UHFFFAOYSA-N 1 0 299.302 1.090 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CO)(CO)CC1 ZINC000879969741 1166433325 /nfs/dbraw/zinc/43/33/25/1166433325.db2.gz PDBFSKXIDNGUMG-LBPRGKRZSA-N 1 0 294.351 1.723 20 5 CDBDRO C[C@H](O)C[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843078492 796901043 /nfs/dbraw/zinc/90/10/43/796901043.db2.gz BEIJRKWVEWPNSI-OUJBWJOFSA-N 1 0 268.313 1.377 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000822862519 796915516 /nfs/dbraw/zinc/91/55/16/796915516.db2.gz JUZFGOZVXFEYJV-LDYMZIIASA-N 1 0 289.295 1.429 20 5 CDBDRO CNC(=O)CCC[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591326 796937169 /nfs/dbraw/zinc/93/71/69/796937169.db2.gz MZWPLQRZRSTLLN-ZDUSSCGKSA-N 1 0 295.339 1.086 20 5 CDBDRO CSC[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819088589 797025243 /nfs/dbraw/zinc/02/52/43/797025243.db2.gz UKHMXAYVTHBPGS-CABZTGNLSA-N 1 0 270.354 1.969 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000415141846 797039039 /nfs/dbraw/zinc/03/90/39/797039039.db2.gz XXHYCTINFKAGAX-CQSZACIVSA-N 1 0 261.325 1.923 20 5 CDBDRO COCCOC[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819104134 797091304 /nfs/dbraw/zinc/09/13/04/797091304.db2.gz NOZXKXWKRIVBNW-BXUZGUMPSA-N 1 0 298.339 1.269 20 5 CDBDRO C[C@H](NC[C@@H]1CCC[NH2+]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817952454 797287047 /nfs/dbraw/zinc/28/70/47/797287047.db2.gz QANSBZPZNZRPDW-ONGXEEELSA-N 1 0 264.329 1.580 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](O)C2CCC2)c1 ZINC000843118517 797345260 /nfs/dbraw/zinc/34/52/60/797345260.db2.gz KAWCRFMQCUSBTM-KGLIPLIRSA-N 1 0 280.324 1.379 20 5 CDBDRO C[NH2+]C1(CNc2c([N+](=O)[O-])ncn2C)CCCCC1 ZINC000872629690 797370785 /nfs/dbraw/zinc/37/07/85/797370785.db2.gz NNQSRJDRFBVXBU-UHFFFAOYSA-N 1 0 267.333 1.663 20 5 CDBDRO [NH3+]CCCCc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000843219089 797396732 /nfs/dbraw/zinc/39/67/32/797396732.db2.gz ULBSSAYEHJBTPW-UHFFFAOYSA-N 1 0 268.298 1.988 20 5 CDBDRO C[C@@H]([NH3+])CN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000863568824 797502937 /nfs/dbraw/zinc/50/29/37/797502937.db2.gz NMJQFTXPCZGCOQ-SNVBAGLBSA-N 1 0 280.328 1.202 20 5 CDBDRO C[C@@H]([NH3+])CN(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702057476 797677106 /nfs/dbraw/zinc/67/71/06/797677106.db2.gz WRUMIXPJUVFJON-SSDOTTSWSA-N 1 0 271.704 1.667 20 5 CDBDRO CC[NH2+]CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000818433859 797680294 /nfs/dbraw/zinc/68/02/94/797680294.db2.gz WTBPCYXBVKVGPW-UHFFFAOYSA-N 1 0 271.704 1.474 20 5 CDBDRO C[NH+](C)[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])C1CC1 ZINC000800848933 797691361 /nfs/dbraw/zinc/69/13/61/797691361.db2.gz LRAQVDCZKAQUTC-ZDUSSCGKSA-N 1 0 264.329 1.929 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H](C)[NH3+])c1 ZINC000877098683 797817020 /nfs/dbraw/zinc/81/70/20/797817020.db2.gz VDUTWNKVZHYAEA-MRVPVSSYSA-N 1 0 267.285 1.023 20 5 CDBDRO Cc1c(C[NH2+][C@@H]2C=C[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000873080438 797817035 /nfs/dbraw/zinc/81/70/35/797817035.db2.gz PDKUMUGCKMEWDQ-WCQYABFASA-N 1 0 262.309 1.930 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]([NH3+])C(C)C)CC2 ZINC000837304694 797847803 /nfs/dbraw/zinc/84/78/03/797847803.db2.gz LWHVBEAJRYIBJS-ZDUSSCGKSA-N 1 0 277.324 1.776 20 5 CDBDRO CN(C)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000789562515 797873939 /nfs/dbraw/zinc/87/39/39/797873939.db2.gz YFNYMPACHABPLE-UHFFFAOYSA-N 1 0 292.383 1.715 20 5 CDBDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886249929 797889343 /nfs/dbraw/zinc/88/93/43/797889343.db2.gz WFRVNWLTBSVWFI-WDEREUQCSA-N 1 0 265.313 1.440 20 5 CDBDRO CON(C)C(=O)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000858318706 797893503 /nfs/dbraw/zinc/89/35/03/797893503.db2.gz PXUUIZCSECNQIX-VIFPVBQESA-N 1 0 267.285 1.093 20 5 CDBDRO CON(C)C(=O)[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000877660245 797960119 /nfs/dbraw/zinc/96/01/19/797960119.db2.gz KOQVTNNHKMOXJX-SNVBAGLBSA-N 1 0 281.312 1.135 20 5 CDBDRO CN(C)c1cc(F)c(C(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000791197144 798002775 /nfs/dbraw/zinc/00/27/75/798002775.db2.gz OMAPUYUCFPIRRH-UHFFFAOYSA-N 1 0 298.318 1.091 20 5 CDBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CC[NH2+]C1 ZINC000841011195 798013569 /nfs/dbraw/zinc/01/35/69/798013569.db2.gz MNGBVWLFBQXWQW-MRVPVSSYSA-N 1 0 284.703 1.732 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@@H](C)[NH3+] ZINC000859676612 798045490 /nfs/dbraw/zinc/04/54/90/798045490.db2.gz LJTQOPHBDIOIEJ-SECBINFHSA-N 1 0 266.301 1.714 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@H](O)CO)C2)cc1 ZINC000930637436 798064891 /nfs/dbraw/zinc/06/48/91/798064891.db2.gz LEWCMWXYIZSARJ-OCCSQVGLSA-N 1 0 280.324 1.127 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001576607925 1167665882 /nfs/dbraw/zinc/66/58/82/1167665882.db2.gz LLVOSYBHMGBJQV-WCBMZHEXSA-N 1 0 281.287 1.225 20 5 CDBDRO COc1c(O)ccc(CN[C@H](C[NH3+])C(C)(C)C)c1[N+](=O)[O-] ZINC001579136446 1167696251 /nfs/dbraw/zinc/69/62/51/1167696251.db2.gz KMMITZVAFUTZJP-LLVKDONJSA-N 1 0 297.355 1.772 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCNC(=O)C1 ZINC001173215568 912299459 /nfs/dbraw/zinc/29/94/59/912299459.db2.gz WVRVMQNDXQWQTQ-CMPLNLGQSA-N 1 0 277.324 1.394 20 5 CDBDRO Nc1nc(-n2ccnc2[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001167055068 894053840 /nfs/dbraw/zinc/05/38/40/894053840.db2.gz HEYSDVULKOLAAL-SECBINFHSA-N 1 0 288.311 1.225 20 5 CDBDRO C[NH2+]Cc1c(C)nn(-c2cc([N+](=O)[O-])ccn2)c1C ZINC001167098632 894495096 /nfs/dbraw/zinc/49/50/96/894495096.db2.gz RRQAOZCWWJIMDQ-UHFFFAOYSA-N 1 0 261.285 1.512 20 5 CDBDRO C[N@@H+]1CC[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001167272752 895011709 /nfs/dbraw/zinc/01/17/09/895011709.db2.gz BSKAWXHAHYVCOQ-NSHDSACASA-N 1 0 276.340 1.985 20 5 CDBDRO C/C=C(\C)C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001125437684 895486982 /nfs/dbraw/zinc/48/69/82/895486982.db2.gz KPQWEMOAWZFPSV-YCRREMRBSA-N 1 0 283.353 1.828 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])Nc1ccc([N+](=O)[O-])c(N)n1 ZINC000305951197 895873284 /nfs/dbraw/zinc/87/32/84/895873284.db2.gz UQCFDRQPNGIVQQ-QMMMGPOBSA-N 1 0 253.306 1.357 20 5 CDBDRO CC(C)(C(=O)NC[C@H]([NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000261969680 904643921 /nfs/dbraw/zinc/64/39/21/904643921.db2.gz UBWODZZYOUJVRX-ZDUSSCGKSA-N 1 0 291.351 1.726 20 5 CDBDRO Cc1c(Cc2noc(C3(C[NH3+])CC3)n2)cccc1[N+](=O)[O-] ZINC000843191986 921250646 /nfs/dbraw/zinc/25/06/46/921250646.db2.gz QABUHSJABPIQKM-UHFFFAOYSA-N 1 0 288.307 1.867 20 5 CDBDRO CCOc1cnc(NC2(C)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001168184365 907727285 /nfs/dbraw/zinc/72/72/85/907727285.db2.gz YNTWXYZAAVIOAC-UHFFFAOYSA-N 1 0 280.328 1.943 20 5 CDBDRO CN1Cc2cc(N[C@H]3C[NH2+]CC[C@H]3F)cc([N+](=O)[O-])c2N1 ZINC001168232726 907952960 /nfs/dbraw/zinc/95/29/60/907952960.db2.gz AZQWBAAILSRXIF-MNOVXSKESA-N 1 0 295.318 1.479 20 5 CDBDRO CC(=O)Nc1ccc(-n2cc(C[NH3+])cn2)cc1[N+](=O)[O-] ZINC001168259717 908009427 /nfs/dbraw/zinc/00/94/27/908009427.db2.gz SZUSFWQTHQKQFE-UHFFFAOYSA-N 1 0 275.268 1.198 20 5 CDBDRO [NH3+][C@H]1C[C@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000715083626 909798913 /nfs/dbraw/zinc/79/89/13/909798913.db2.gz YJRKJCNWQCHYPQ-ZKCHVHJHSA-N 1 0 267.260 1.201 20 5 CDBDRO Cc1cccc(C)c1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126931843 909883152 /nfs/dbraw/zinc/88/31/52/909883152.db2.gz BLPLNZXOHUYPPA-TZMCWYRMSA-N 1 0 291.351 1.174 20 5 CDBDRO CN1CC(OCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001224777180 910707936 /nfs/dbraw/zinc/70/79/36/910707936.db2.gz NJAGIYCZNKAYQR-UHFFFAOYSA-N 1 0 252.270 1.304 20 5 CDBDRO CC[C@]([NH3+])(CO)N[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904303 912037598 /nfs/dbraw/zinc/03/75/98/912037598.db2.gz WURFJKGUFHUHFN-UKRRQHHQSA-N 1 0 293.367 1.489 20 5 CDBDRO COC(=O)c1ccc(C[NH3+])n1-c1ncc(C)cc1[N+](=O)[O-] ZINC001161935278 921764788 /nfs/dbraw/zinc/76/47/88/921764788.db2.gz VUNRLZUYUSLFPK-UHFFFAOYSA-N 1 0 290.279 1.334 20 5 CDBDRO O=C(CCC1CC1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001125019221 936347612 /nfs/dbraw/zinc/34/76/12/936347612.db2.gz DVBCOLKPGFPXBJ-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826869870 936444640 /nfs/dbraw/zinc/44/46/40/936444640.db2.gz BEKIAODJWIZDSH-PWSUYJOCSA-N 1 0 283.372 1.421 20 5 CDBDRO [NH3+][C@H](CC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826913541 936447111 /nfs/dbraw/zinc/44/71/11/936447111.db2.gz UUZIUGAFJRRULW-CYBMUJFWSA-N 1 0 292.339 1.250 20 5 CDBDRO CO[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000831533499 936515367 /nfs/dbraw/zinc/51/53/67/936515367.db2.gz IGRASKYJXWYSIA-TUKIKUTGSA-N 1 0 294.351 1.985 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H](CCCO)C2)cc1 ZINC000832781252 936600822 /nfs/dbraw/zinc/60/08/22/936600822.db2.gz AIMDAXALYIWMIM-IUODEOHRSA-N 1 0 294.351 1.723 20 5 CDBDRO C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000923287215 923709051 /nfs/dbraw/zinc/70/90/51/923709051.db2.gz SUYBABNKQFEKPH-UHIISALHSA-N 1 0 279.340 1.310 20 5 CDBDRO C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cccs1 ZINC000839462843 936912914 /nfs/dbraw/zinc/91/29/14/936912914.db2.gz KZJMGWCTIOWHHM-OPRDCNLKSA-N 1 0 283.353 1.132 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000841010633 936971355 /nfs/dbraw/zinc/97/13/55/936971355.db2.gz HNSGUHQUUOPIHH-ZETCQYMHSA-N 1 0 284.703 1.813 20 5 CDBDRO C[NH2+]CCCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233442 936985688 /nfs/dbraw/zinc/98/56/88/936985688.db2.gz UNIOTIFAQPCHKP-UHFFFAOYSA-N 1 0 286.719 1.979 20 5 CDBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[C@H]1O ZINC000776277192 926528852 /nfs/dbraw/zinc/52/88/52/926528852.db2.gz LQSRGTCPIUFTAV-YUELXQCFSA-N 1 0 294.351 1.721 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2(CO)CCCC2)c1 ZINC000843090435 937111673 /nfs/dbraw/zinc/11/16/73/937111673.db2.gz YULYQIDXWZLNHV-AWEZNQCLSA-N 1 0 294.351 1.771 20 5 CDBDRO C[C@H](O)C[C@H](C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843084315 937111715 /nfs/dbraw/zinc/11/17/15/937111715.db2.gz PJQNWTMUWIXUKJ-COPLHBTASA-N 1 0 282.340 1.625 20 5 CDBDRO C[NH2+]C[C@@H](C)c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000843222457 937122525 /nfs/dbraw/zinc/12/25/25/937122525.db2.gz RBGRLZOZTGBZOA-ZCFIWIBFSA-N 1 0 280.288 1.010 20 5 CDBDRO [NH3+][C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843344481 937139351 /nfs/dbraw/zinc/13/93/51/937139351.db2.gz GNXCPVUYGSYCOX-SECBINFHSA-N 1 0 296.302 1.096 20 5 CDBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[C@@H]1[NH3+] ZINC000843470814 937153702 /nfs/dbraw/zinc/15/37/02/937153702.db2.gz DKJRFQTVWWPQLT-CABZTGNLSA-N 1 0 292.339 1.376 20 5 CDBDRO COC(=O)N(C)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000850547883 927445063 /nfs/dbraw/zinc/44/50/63/927445063.db2.gz WIMQAXQZVGUYDP-GFCCVEGCSA-N 1 0 293.323 1.870 20 5 CDBDRO [NH3+][C@@H]1CCN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001156228205 927488761 /nfs/dbraw/zinc/48/87/61/927488761.db2.gz CPXXPMICCLQZMU-RXMQYKEDSA-N 1 0 277.111 1.834 20 5 CDBDRO Cc1ncc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001168976059 927560490 /nfs/dbraw/zinc/56/04/90/927560490.db2.gz YXEGRFUGLAJPCW-ZYHUDNBSSA-N 1 0 250.302 1.320 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCn2nnc3ccccc32)C1 ZINC001168978255 927565816 /nfs/dbraw/zinc/56/58/16/927565816.db2.gz QIJHIDDAZCOIAF-RYUDHWBXSA-N 1 0 289.339 1.466 20 5 CDBDRO O=C(CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)Nc1nccs1 ZINC001168978159 927565928 /nfs/dbraw/zinc/56/59/28/927565928.db2.gz PASCCOXFJURYER-NXEZZACHSA-N 1 0 298.368 1.507 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](CO)C2CCCCC2)C1 ZINC001168978149 927565945 /nfs/dbraw/zinc/56/59/45/927565945.db2.gz OVQIBQDVGVVBNG-KWCYVHTRSA-N 1 0 270.373 1.963 20 5 CDBDRO COc1ccc([C@H](O)C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168983334 927570949 /nfs/dbraw/zinc/57/09/49/927570949.db2.gz JKWRJPQPVXYNFP-CORIIIEPSA-N 1 0 294.351 1.764 20 5 CDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168983749 927573466 /nfs/dbraw/zinc/57/34/66/927573466.db2.gz LDOJACHUFZAPRF-QCNOEVLYSA-N 1 0 270.329 1.363 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC001168956784 927577331 /nfs/dbraw/zinc/57/73/31/927577331.db2.gz FHCUWBABYGZFGN-NWDGAFQWSA-N 1 0 278.308 1.950 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC001168956397 927577740 /nfs/dbraw/zinc/57/77/40/927577740.db2.gz FAEMZOZHEWYAFI-MRVWCRGKSA-N 1 0 264.325 1.755 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccccc2)C1 ZINC001168956393 927577807 /nfs/dbraw/zinc/57/78/07/927577807.db2.gz FAEMZOZHEWYAFI-BNOWGMLFSA-N 1 0 264.325 1.755 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCN2CCCCC2)C1 ZINC001168958918 927580215 /nfs/dbraw/zinc/58/02/15/927580215.db2.gz RHKOTBFKWYTQFF-CHWSQXEVSA-N 1 0 255.362 1.507 20 5 CDBDRO CCc1coc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168965251 927586875 /nfs/dbraw/zinc/58/68/75/927586875.db2.gz YOTRRLZQMRZFTC-MWLCHTKSSA-N 1 0 253.302 1.772 20 5 CDBDRO NC(=[NH2+])N(c1ccc(F)cc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168969889 927591577 /nfs/dbraw/zinc/59/15/77/927591577.db2.gz GFKQDHUFKMFSST-JOYOIKCWSA-N 1 0 280.303 1.971 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(CC3CCC3)C2)C1 ZINC001168992814 927601268 /nfs/dbraw/zinc/60/12/68/927601268.db2.gz KWTWEHFGBOVIDN-KFWWJZLASA-N 1 0 281.400 1.896 20 5 CDBDRO COC(=O)[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169001300 927606106 /nfs/dbraw/zinc/60/61/06/927606106.db2.gz FKPXJCDERAWBSN-RHYQMDGZSA-N 1 0 270.329 1.363 20 5 CDBDRO C[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011933 927616331 /nfs/dbraw/zinc/61/63/31/927616331.db2.gz NTWLCVZNTMZUDU-GHMZBOCLSA-N 1 0 272.345 1.705 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)C1 ZINC001169013810 927620185 /nfs/dbraw/zinc/62/01/85/927620185.db2.gz WNGPAPGEACYJSZ-GMTAPVOTSA-N 1 0 296.289 1.679 20 5 CDBDRO COC(=O)[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169013110 927620436 /nfs/dbraw/zinc/62/04/36/927620436.db2.gz TZWMYADQQYVCQV-WOPDTQHZSA-N 1 0 270.329 1.459 20 5 CDBDRO CN(C)C(=O)N1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168988333 927625240 /nfs/dbraw/zinc/62/52/40/927625240.db2.gz QYEZVQUPUWSGNT-YPMHNXCESA-N 1 0 298.387 1.167 20 5 CDBDRO COC(CCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)OC ZINC001168989417 927627636 /nfs/dbraw/zinc/62/76/36/927627636.db2.gz WLNINJQRVJOABY-QWRGUYRKSA-N 1 0 260.334 1.421 20 5 CDBDRO [NH3+]Cc1ncccc1N[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168988859 927627796 /nfs/dbraw/zinc/62/77/96/927627796.db2.gz UFDQEDSVIHPAFK-UWVGGRQHSA-N 1 0 250.302 1.398 20 5 CDBDRO CC1(C)CN(C2C[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)CCO1 ZINC001169032999 927639360 /nfs/dbraw/zinc/63/93/60/927639360.db2.gz AWPBIMDZOQWGEX-STQMWFEESA-N 1 0 297.399 1.227 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC([NH+]3CCCC3)C2)C1 ZINC001169037107 927647738 /nfs/dbraw/zinc/64/77/38/927647738.db2.gz QVHVEKUUDCYNII-VXGBXAGGSA-N 1 0 253.346 1.212 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](Oc3ccncc3)C2)C1 ZINC001169039664 927650594 /nfs/dbraw/zinc/65/05/94/927650594.db2.gz RXVDZNINVOHINO-IPYPFGDCSA-N 1 0 291.351 1.980 20 5 CDBDRO Cc1noc([C@@H]2CCC[N@@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001169039250 927651189 /nfs/dbraw/zinc/65/11/89/927651189.db2.gz OPONELLQOCUNIQ-UTUOFQBUSA-N 1 0 280.328 1.960 20 5 CDBDRO CC(C)CC(=O)N1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169039803 927652750 /nfs/dbraw/zinc/65/27/50/927652750.db2.gz UBKYSVSUPVGNMW-ZIAGYGMSSA-N 1 0 297.399 1.622 20 5 CDBDRO CN1C(=O)CC[C@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@H]21 ZINC001169050609 927669693 /nfs/dbraw/zinc/66/96/93/927669693.db2.gz BYIVNGXZLGEHDF-IGQOVBAYSA-N 1 0 295.383 1.375 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2CCO[C@H](C[NH+]3CCCC3)C2)C1 ZINC001169054825 927672810 /nfs/dbraw/zinc/67/28/10/927672810.db2.gz NSFLNMBTLHXFSE-QLFBSQMISA-N 1 0 297.399 1.228 20 5 CDBDRO COC[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591987 927791076 /nfs/dbraw/zinc/79/10/76/927791076.db2.gz NRUGVEDOIDUWBH-KBPBESRZSA-N 1 0 280.324 1.739 20 5 CDBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1CCOCC1 ZINC000776597466 927793446 /nfs/dbraw/zinc/79/34/46/927793446.db2.gz MJSWDZOPDQEGRF-OAHLLOKOSA-N 1 0 294.351 1.987 20 5 CDBDRO COc1ccc(-n2ncc3c2cccc3C[NH3+])nc1[N+](=O)[O-] ZINC001169195050 927805333 /nfs/dbraw/zinc/80/53/33/927805333.db2.gz RKGXMBGLCJIRCA-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000853123946 927956215 /nfs/dbraw/zinc/95/62/15/927956215.db2.gz AINUFYNVVIDUMV-ZWNOBZJWSA-N 1 0 290.323 1.713 20 5 CDBDRO Cc1cc(NC[C@H](O)C[NH+](C)C)c([N+](=O)[O-])s1 ZINC000853150774 927963458 /nfs/dbraw/zinc/96/34/58/927963458.db2.gz KCJGVSOLUFONBQ-QMMMGPOBSA-N 1 0 259.331 1.299 20 5 CDBDRO CN(C)c1ccc(N(C)C(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC001170059278 929236456 /nfs/dbraw/zinc/23/64/56/929236456.db2.gz FJHRTLNFBZZKAG-UHFFFAOYSA-N 1 0 266.345 1.834 20 5 CDBDRO C[C@H]([NH3+])CN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000863567392 929573244 /nfs/dbraw/zinc/57/32/44/929573244.db2.gz CFSSKYKRBXDQRU-JTQLQIEISA-N 1 0 253.302 1.253 20 5 CDBDRO O=[N+]([O-])c1cccc2c1ccnc2N[C@@H]1C[NH2+]C[C@H]1CO ZINC001170773830 929921749 /nfs/dbraw/zinc/92/17/49/929921749.db2.gz QQRBOANHOWIVME-JOYOIKCWSA-N 1 0 288.307 1.135 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCN(C)OC ZINC000883172598 930156667 /nfs/dbraw/zinc/15/66/67/930156667.db2.gz MURSNGBYSNAQRX-UHFFFAOYSA-N 1 0 283.328 1.576 20 5 CDBDRO C[C@H]([NH2+]CC[S@@](C)=O)c1ccc([N+](=O)[O-])cc1 ZINC000131419891 930176084 /nfs/dbraw/zinc/17/60/84/930176084.db2.gz HJFLSOQGJJSAIY-XYZCENFISA-N 1 0 256.327 1.624 20 5 CDBDRO CC[NH+](CC)CCCOC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000800149649 930414904 /nfs/dbraw/zinc/41/49/04/930414904.db2.gz RQERHHKNTAGBPJ-UHFFFAOYSA-N 1 0 298.343 1.525 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1ccc2nsnc2c1[N+](=O)[O-] ZINC001170861463 930492722 /nfs/dbraw/zinc/49/27/22/930492722.db2.gz CLMFWHPJSRROIV-SNVBAGLBSA-N 1 0 283.313 1.069 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](C)[NH3+])c1C ZINC000884296291 930513118 /nfs/dbraw/zinc/51/31/18/930513118.db2.gz TYCROGSCJVZTIB-UWVGGRQHSA-N 1 0 265.313 1.677 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000884297610 930514634 /nfs/dbraw/zinc/51/46/34/930514634.db2.gz UGZYBJFZQVAXAO-JTQLQIEISA-N 1 0 265.313 1.679 20 5 CDBDRO Cc1cc(NCC[N@H+](C)CCO)c(Cl)cc1[N+](=O)[O-] ZINC000884824052 930636335 /nfs/dbraw/zinc/63/63/35/930636335.db2.gz PCXRGMJOTYNYQO-UHFFFAOYSA-N 1 0 287.747 1.893 20 5 CDBDRO C[NH2+]CCCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817941263 930640757 /nfs/dbraw/zinc/64/07/57/930640757.db2.gz QNUNTLSPXIJHQY-VIFPVBQESA-N 1 0 252.318 1.437 20 5 CDBDRO CC(=O)Nc1ccc(NCC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001170890050 930682312 /nfs/dbraw/zinc/68/23/12/930682312.db2.gz BTCVKQYOWNJFSG-MRVPVSSYSA-N 1 0 266.301 1.702 20 5 CDBDRO Cc1nnsc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819327901 930787678 /nfs/dbraw/zinc/78/76/78/930787678.db2.gz JGQDECMGAVVLTK-LLVKDONJSA-N 1 0 294.336 1.578 20 5 CDBDRO COC(=O)CC1([NH2+]Cc2cccnc2[N+](=O)[O-])CCC1 ZINC000886117081 930808380 /nfs/dbraw/zinc/80/83/80/930808380.db2.gz ZGHMIHLNMHIPFV-UHFFFAOYSA-N 1 0 279.296 1.565 20 5 CDBDRO C[C@H](CO)[N@@H+](Cc1cccnc1[N+](=O)[O-])CC1CCC1 ZINC000886183411 930822707 /nfs/dbraw/zinc/82/27/07/930822707.db2.gz DBVBNZYPGKMXTR-LLVKDONJSA-N 1 0 279.340 1.973 20 5 CDBDRO Cc1noc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c1[N+](=O)[O-] ZINC000886815265 930965784 /nfs/dbraw/zinc/96/57/84/930965784.db2.gz AMRNDKZGWXKQLD-WDEREUQCSA-N 1 0 281.312 1.892 20 5 CDBDRO CCN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000886854162 930976337 /nfs/dbraw/zinc/97/63/37/930976337.db2.gz CZNISLJVBFCTHQ-CYBMUJFWSA-N 1 0 279.340 1.657 20 5 CDBDRO CC1(C)CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000890079559 931405746 /nfs/dbraw/zinc/40/57/46/931405746.db2.gz ZAXRXDZZOWIKLK-UHFFFAOYSA-N 1 0 280.328 1.385 20 5 CDBDRO Cc1nc(NC[C@H]2CCC[NH2+]C[C@@H]2C)ncc1[N+](=O)[O-] ZINC001155029031 937623296 /nfs/dbraw/zinc/62/32/96/937623296.db2.gz IBPDCRITBYIMDC-GXSJLCMTSA-N 1 0 279.344 1.741 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NCCc1cccc([N+](=O)[O-])c1 ZINC000925627556 932917646 /nfs/dbraw/zinc/91/76/46/932917646.db2.gz BQYDZJSSYRWVJA-BXUZGUMPSA-N 1 0 263.341 1.867 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@H]2C[NH+]3CCC2CC3)n1 ZINC001155667991 937662082 /nfs/dbraw/zinc/66/20/82/937662082.db2.gz QISZIAUQEKADAK-JTQLQIEISA-N 1 0 293.327 1.208 20 5 CDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000928565160 933160842 /nfs/dbraw/zinc/16/08/42/933160842.db2.gz KKFUVTQHAVUCPF-LLVKDONJSA-N 1 0 293.323 1.184 20 5 CDBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)[C@H](C)O ZINC000929338078 933227364 /nfs/dbraw/zinc/22/73/64/933227364.db2.gz PJGBUHZMMNIKQK-FZMZJTMJSA-N 1 0 282.340 1.547 20 5 CDBDRO CC(C)([NH3+])Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000084144102 934750304 /nfs/dbraw/zinc/75/03/04/934750304.db2.gz YJXRCXPIYNJZFG-UHFFFAOYSA-N 1 0 262.269 1.925 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719109871 934843124 /nfs/dbraw/zinc/84/31/24/934843124.db2.gz RJNJIDQYDOWDKE-SNVBAGLBSA-N 1 0 296.298 1.929 20 5 CDBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000796205269 934983392 /nfs/dbraw/zinc/98/33/92/934983392.db2.gz XCFZZDOPHNRUNA-KGLIPLIRSA-N 1 0 280.324 1.739 20 5 CDBDRO C[S@@](=O)CCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000116918426 935700481 /nfs/dbraw/zinc/70/04/81/935700481.db2.gz MOGVHRKKAZDCLP-QTWIXLPOSA-N 1 0 282.365 1.966 20 5 CDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139999 935729999 /nfs/dbraw/zinc/72/99/99/935729999.db2.gz SRLVMRAZFFFYEA-DDHJBXDOSA-N 1 0 295.364 1.150 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C[NH3+])CC(C)C)c1 ZINC001121805753 937883471 /nfs/dbraw/zinc/88/34/71/937883471.db2.gz IEEVRHVCULOLPN-JTQLQIEISA-N 1 0 295.339 1.707 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001122215916 937913764 /nfs/dbraw/zinc/91/37/64/937913764.db2.gz GSCLDTCDJSGHLY-DTWKUNHWSA-N 1 0 281.337 1.338 20 5 CDBDRO O=C(NC[C@H]1CCCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001122391280 937928649 /nfs/dbraw/zinc/92/86/49/937928649.db2.gz IHITYRGBLPEVDZ-GFCCVEGCSA-N 1 0 277.324 1.857 20 5 CDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(F)F ZINC001122400900 937928764 /nfs/dbraw/zinc/92/87/64/937928764.db2.gz ZFQMFDDQKVOWKJ-UHFFFAOYSA-N 1 0 273.239 1.066 20 5 CDBDRO CC(C)N(CCC[NH3+])c1c([N+](=O)[O-])cc[n+]([O-])c1Cl ZINC001156118105 938321483 /nfs/dbraw/zinc/32/14/83/938321483.db2.gz RTMNXWAXJNSJPJ-UHFFFAOYSA-N 1 0 288.735 1.445 20 5 CDBDRO CCOc1nc(N[C@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC001156580978 938388235 /nfs/dbraw/zinc/38/82/35/938388235.db2.gz PDAXDMYSQOFEJS-VIFPVBQESA-N 1 0 266.301 1.505 20 5 CDBDRO [NH3+]CCc1ccn(-c2ncnc3ccc([N+](=O)[O-])cc32)n1 ZINC001156898371 938430843 /nfs/dbraw/zinc/43/08/43/938430843.db2.gz NGIPGXDXPCEODD-UHFFFAOYSA-N 1 0 284.279 1.225 20 5 CDBDRO CC1(Nc2cc(N)c([N+](=O)[O-])cn2)CC[NH2+]CC1 ZINC001157401471 938487168 /nfs/dbraw/zinc/48/71/68/938487168.db2.gz JGAQHMGJUFJPOO-UHFFFAOYSA-N 1 0 251.290 1.126 20 5 CDBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1C[C@@H]2C[NH2+][C@@H]2C1 ZINC001157620023 938521115 /nfs/dbraw/zinc/52/11/15/938521115.db2.gz XFHAPSGVWNALAQ-CAHLUQPWSA-N 1 0 289.122 1.705 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@](F)(C[NH3+])C2)n1 ZINC001157812530 938549904 /nfs/dbraw/zinc/54/99/04/938549904.db2.gz BZDUXSGHTJFJAA-JTQLQIEISA-N 1 0 289.698 1.224 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@](F)(C[NH3+])C2)n1 ZINC001157812531 938550104 /nfs/dbraw/zinc/55/01/04/938550104.db2.gz BZDUXSGHTJFJAA-SNVBAGLBSA-N 1 0 289.698 1.224 20 5 CDBDRO C[NH2+]CCN(c1cccc([N+](=O)[O-])n1)C(C)(C)C ZINC001157825384 938552113 /nfs/dbraw/zinc/55/21/13/938552113.db2.gz GLSZCCKTZULJFG-UHFFFAOYSA-N 1 0 252.318 1.814 20 5 CDBDRO C[NH2+]CCN(c1cc(N)c([N+](=O)[O-])cn1)C(C)(C)C ZINC001157829813 938553224 /nfs/dbraw/zinc/55/32/24/938553224.db2.gz ILJJQFRAAGPFRE-UHFFFAOYSA-N 1 0 267.333 1.396 20 5 CDBDRO C[NH+](C)CC(C)(C)CNc1cccc([N+](=O)[O-])n1 ZINC001157941849 938567356 /nfs/dbraw/zinc/56/73/56/938567356.db2.gz DPBWRNCBOBLXQL-UHFFFAOYSA-N 1 0 252.318 1.990 20 5 CDBDRO [NH3+]Cc1nnnn1-c1ccc2ccc3cccnc3c2n1 ZINC001158075026 938580920 /nfs/dbraw/zinc/58/09/20/938580920.db2.gz PTBHWSUZZGYEDW-UHFFFAOYSA-N 1 0 277.291 1.217 20 5 CDBDRO C[C@H]([NH3+])c1ccn(-c2cnc3ccc([N+](=O)[O-])cc3n2)n1 ZINC001158349263 938612133 /nfs/dbraw/zinc/61/21/33/938612133.db2.gz REQSFDNWDHLJIW-QMMMGPOBSA-N 1 0 284.279 1.743 20 5 CDBDRO COc1nc(N2CC3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001159019431 938691430 /nfs/dbraw/zinc/69/14/30/938691430.db2.gz JJKZFGTUJFCTBQ-UHFFFAOYSA-N 1 0 278.312 1.188 20 5 CDBDRO O=[N+]([O-])c1ccc2ccc(N[C@@H]3C[NH2+]C[C@@H]3CO)nc2c1 ZINC001159673067 938744327 /nfs/dbraw/zinc/74/43/27/938744327.db2.gz UMUBABQCTFPMCN-ZWNOBZJWSA-N 1 0 288.307 1.135 20 5 CDBDRO [NH3+]C/C=C/CNc1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001160977109 938853470 /nfs/dbraw/zinc/85/34/70/938853470.db2.gz OHZJFLVZALSXSV-OWOJBTEDSA-N 1 0 278.099 1.618 20 5 CDBDRO C[NH+]1CCN(CCCNc2cnc(F)c([N+](=O)[O-])c2)CC1 ZINC001161710164 938924188 /nfs/dbraw/zinc/92/41/88/938924188.db2.gz OPHIIERLYURPPE-UHFFFAOYSA-N 1 0 297.334 1.178 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1NCCCC[NH+](C)C ZINC001161731140 938927672 /nfs/dbraw/zinc/92/76/72/938927672.db2.gz RBFKCZILXLIYKV-UHFFFAOYSA-N 1 0 268.317 1.752 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c3c2CNC3=O)C1 ZINC001162403022 939045734 /nfs/dbraw/zinc/04/57/34/939045734.db2.gz BNSQPRKPPXWJQT-IUCAKERBSA-N 1 0 290.323 1.520 20 5 CDBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001162456091 939059584 /nfs/dbraw/zinc/05/95/84/939059584.db2.gz GCLJEXCHATZWIH-QWRGUYRKSA-N 1 0 294.355 1.341 20 5 CDBDRO CN1Cc2cc(NC[C@@H]3C[C@H](F)C[NH2+]3)cc([N+](=O)[O-])c2N1 ZINC001162481078 939065639 /nfs/dbraw/zinc/06/56/39/939065639.db2.gz GMHFKHUMJGDFGO-ONGXEEELSA-N 1 0 295.318 1.479 20 5 CDBDRO COC(=O)c1cc(N[C@@H]2CC[NH2+][C@@H]2C)cc([N+](=O)[O-])c1 ZINC001162676498 939112236 /nfs/dbraw/zinc/11/22/36/939112236.db2.gz QQEOFLXKLQUVGG-PRHODGIISA-N 1 0 279.296 1.544 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1NC[C@@H]1CC[NH2+]C[C@@H]1F ZINC001162801610 939145470 /nfs/dbraw/zinc/14/54/70/939145470.db2.gz FKSYHRIJEURUFM-CBAPKCEASA-N 1 0 272.255 1.488 20 5 CDBDRO [NH3+]C1(CNc2ccc3[nH]cc([N+](=O)[O-])c3n2)CCC1 ZINC001163326795 939248062 /nfs/dbraw/zinc/24/80/62/939248062.db2.gz LFJPGDDILXJWCP-UHFFFAOYSA-N 1 0 261.285 1.764 20 5 CDBDRO COc1cc(C)nc(N2C[C@H](C)CC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC001164069093 939404450 /nfs/dbraw/zinc/40/44/50/939404450.db2.gz IFXVCJNXEDIPJZ-MWLCHTKSSA-N 1 0 294.355 1.870 20 5 CDBDRO Cc1nc(N2CC[NH+](C(C)(C)C)CC2)ncc1[N+](=O)[O-] ZINC001165094878 939508075 /nfs/dbraw/zinc/50/80/75/939508075.db2.gz PVRAFNFUOWAYIB-UHFFFAOYSA-N 1 0 279.344 1.614 20 5 CDBDRO C[NH+]1C[C@@H]2CN(c3cc(Cl)cc([N+](=O)[O-])n3)C[C@H]2C1 ZINC001165149187 939518962 /nfs/dbraw/zinc/51/89/62/939518962.db2.gz NQQJBTWMMSHCTL-RKDXNWHRSA-N 1 0 282.731 1.641 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001165240263 939531400 /nfs/dbraw/zinc/53/14/00/939531400.db2.gz RNVVPSDEDUXFEJ-AWEZNQCLSA-N 1 0 292.339 1.117 20 5 CDBDRO Cc1ccnc(N2CCC(F)(C[NH3+])CC2)c1[N+](=O)[O-] ZINC001165261881 939535645 /nfs/dbraw/zinc/53/56/45/939535645.db2.gz FLOHKLFSIRILFN-UHFFFAOYSA-N 1 0 268.292 1.565 20 5 CDBDRO COc1cc(C)nc(N2CCC[C@@H]3[NH2+]C[C@@H]32)c1[N+](=O)[O-] ZINC001165393811 939557821 /nfs/dbraw/zinc/55/78/21/939557821.db2.gz UPSAOKPOYOFLQH-UWVGGRQHSA-N 1 0 278.312 1.247 20 5 CDBDRO [NH3+][C@H]1CCN(c2nccc(Cl)c2[N+](=O)[O-])CC1(F)F ZINC001166960372 939660816 /nfs/dbraw/zinc/66/08/16/939660816.db2.gz OZWXZWDODGOOSA-ZETCQYMHSA-N 1 0 292.673 1.816 20 5 CDBDRO O=[N+]([O-])c1cccc2ccc(O[C@H]3CC[NH2+]C3)nc21 ZINC001218183623 941043621 /nfs/dbraw/zinc/04/36/21/941043621.db2.gz RMHLTOCTROXFOI-JTQLQIEISA-N 1 0 259.265 1.884 20 5 CDBDRO O=c1[nH]nc(O[C@@H]2CCC[NH2+]C2)c2cc([N+](=O)[O-])ccc12 ZINC001218284058 941051632 /nfs/dbraw/zinc/05/16/32/941051632.db2.gz QBAOUAQMPRJLAD-SECBINFHSA-N 1 0 290.279 1.374 20 5 CDBDRO CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC001226168186 941961601 /nfs/dbraw/zinc/96/16/01/941961601.db2.gz PHEOOYMWIHTRCP-UHFFFAOYSA-N 1 0 293.323 1.557 20 5 CDBDRO COC(=O)c1ccc(OC)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001226277784 941979368 /nfs/dbraw/zinc/97/93/68/941979368.db2.gz WKWSBBXMQVXLEJ-NSHDSACASA-N 1 0 282.360 1.955 20 5 CDBDRO C[N@@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])c3nc[nH]c32)C1 ZINC001227692344 942206038 /nfs/dbraw/zinc/20/60/38/942206038.db2.gz XDWWMFABGJEPJL-QMMMGPOBSA-N 1 0 277.284 1.339 20 5 CDBDRO CCOC(=O)Cc1ccc(O[C@H](C)C[N+](C)(C)C)cn1 ZINC001227805134 942228667 /nfs/dbraw/zinc/22/86/67/942228667.db2.gz IDBFBHKCHCLMAH-GFCCVEGCSA-N 1 0 281.376 1.661 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(c1)CC(=O)O2 ZINC001229228322 942436964 /nfs/dbraw/zinc/43/69/64/942436964.db2.gz HGOGXMFZKQMOHK-SNVBAGLBSA-N 1 0 250.318 1.622 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOc2cc([N+](=O)[O-])ccc2O)C1 ZINC001229396015 942462983 /nfs/dbraw/zinc/46/29/83/942462983.db2.gz PCFQNNPGAGWATC-LLVKDONJSA-N 1 0 282.296 1.400 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cc([N+](=O)[O-])ccc1O ZINC001229395939 942463900 /nfs/dbraw/zinc/46/39/00/942463900.db2.gz NNUWKYGPLUVWTQ-VIFPVBQESA-O 1 0 255.294 1.774 20 5 CDBDRO COC(=O)c1cc2c(c(O[C@H](C)C[N+](C)(C)C)c1)OCO2 ZINC001229688995 942511671 /nfs/dbraw/zinc/51/16/71/942511671.db2.gz VDZKWFHNDKJRHT-SNVBAGLBSA-N 1 0 296.343 1.675 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc([C@@H]2NC(=O)NC2=O)cc1 ZINC001229789020 942531217 /nfs/dbraw/zinc/53/12/17/942531217.db2.gz YGGQNXSGNBAQMY-GWCFXTLKSA-O 1 0 292.359 1.041 20 5 CDBDRO C[N@@H+]1CCC[C@@H](Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)C1 ZINC001230230368 942591515 /nfs/dbraw/zinc/59/15/15/942591515.db2.gz OSJYWQVRZHRUCN-MRVPVSSYSA-N 1 0 277.284 1.339 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1nc[nH]c2cc(=O)ccc1-2 ZINC001231117239 942791059 /nfs/dbraw/zinc/79/10/59/942791059.db2.gz YDHUSLDAWZJBOQ-SNVBAGLBSA-O 1 0 262.333 1.809 20 5 CDBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccnc([N+](=O)[O-])c1)C2 ZINC001233855856 943673554 /nfs/dbraw/zinc/67/35/54/943673554.db2.gz WMAXUEDGYMENFF-IAZYJMLFSA-N 1 0 263.297 1.994 20 5 CDBDRO CC(C)([NH3+])CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000700751174 944373596 /nfs/dbraw/zinc/37/35/96/944373596.db2.gz BMFNJCMJIYCSEH-UHFFFAOYSA-N 1 0 297.380 1.931 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCOCC1 ZINC001254533476 947513151 /nfs/dbraw/zinc/51/31/51/947513151.db2.gz LJRDGIGVFJHLNW-CYBMUJFWSA-N 1 0 293.367 1.448 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001254550401 947519884 /nfs/dbraw/zinc/51/98/84/947519884.db2.gz JALCWKFRAFAJDN-DGCLKSJQSA-N 1 0 291.351 1.723 20 5 CDBDRO COC[C@@H]1CN([C@H](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC001254565435 947527048 /nfs/dbraw/zinc/52/70/48/947527048.db2.gz PFJRKINMTABRBB-OCCSQVGLSA-N 1 0 294.351 1.873 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@H]1COCCO1)C2 ZINC001254574391 947532345 /nfs/dbraw/zinc/53/23/45/947532345.db2.gz GSZGLVACKYDELW-OCCSQVGLSA-N 1 0 278.308 1.067 20 5 CDBDRO CCOC(=O)[C@H](C)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580074 947537092 /nfs/dbraw/zinc/53/70/92/947537092.db2.gz AWVKPBYIIGXPGG-ZWNOBZJWSA-N 1 0 292.335 1.851 20 5 CDBDRO C[NH+](C)C1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254596704 947547762 /nfs/dbraw/zinc/54/77/62/947547762.db2.gz FIZIUZTXZQMROF-ZDUSSCGKSA-N 1 0 261.325 1.308 20 5 CDBDRO C[C@@H]1CC[C@H](O)C[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600911 947549672 /nfs/dbraw/zinc/54/96/72/947549672.db2.gz WQSDKNJZYQOYIU-ONERCXAPSA-N 1 0 276.336 1.907 20 5 CDBDRO CC(=O)[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254608627 947556621 /nfs/dbraw/zinc/55/66/21/947556621.db2.gz RLVLPJMEPYECBU-DOMZBBRYSA-N 1 0 274.320 1.973 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCNC[C@@H]1F ZINC001246086768 947937618 /nfs/dbraw/zinc/93/76/18/947937618.db2.gz MBBGAUUIACURRE-WXHSDQCUSA-N 1 0 281.331 1.815 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1C[NH3+] ZINC001246908773 948512137 /nfs/dbraw/zinc/51/21/37/948512137.db2.gz MPKSKSHDUCVQGX-DGCLKSJQSA-N 1 0 263.341 1.949 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@]2(F)CC[NH2+]C2)n1 ZINC001247805872 948790983 /nfs/dbraw/zinc/79/09/83/948790983.db2.gz YDLNHVZAVVEWFO-LLVKDONJSA-N 1 0 297.221 1.337 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNc1c(C)cncc1[N+](=O)[O-] ZINC001324650118 953494952 /nfs/dbraw/zinc/49/49/52/953494952.db2.gz PVCHVPQEMMOSRB-NSHDSACASA-N 1 0 266.345 1.862 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CC[NH3+] ZINC001326087160 954212008 /nfs/dbraw/zinc/21/20/08/954212008.db2.gz IDXDAJWNOQUMBU-MRVPVSSYSA-N 1 0 266.301 1.104 20 5 CDBDRO C[NH+](C)CCONC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001329295626 955805540 /nfs/dbraw/zinc/80/55/40/955805540.db2.gz NPFKMGRTRMSXOI-UHFFFAOYSA-N 1 0 293.279 1.564 20 5 CDBDRO CC(C)c1ccc(C[NH2+]C(CO)CO)cc1[N+](=O)[O-] ZINC001308284321 956511943 /nfs/dbraw/zinc/51/19/43/956511943.db2.gz ADFFHUCGOXLMQD-UHFFFAOYSA-N 1 0 268.313 1.161 20 5 CDBDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC001320463379 959185499 /nfs/dbraw/zinc/18/54/99/959185499.db2.gz ULKIKGAFZSUNCD-GHMZBOCLSA-N 1 0 265.317 1.670 20 5 CDBDRO CCOCC[C@@H](O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001335891305 960083304 /nfs/dbraw/zinc/08/33/04/960083304.db2.gz MTPHOLIIJDVWQN-GFCCVEGCSA-N 1 0 268.313 1.472 20 5 CDBDRO CC(C)[C@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC001336691568 960473323 /nfs/dbraw/zinc/47/33/23/960473323.db2.gz CGSWTUWVYDJXQA-GFCCVEGCSA-N 1 0 279.344 1.348 20 5 CDBDRO C[C@@](O)(C[NH2+]CC[N+](=O)[O-])c1ccc(F)cc1F ZINC001338485288 961829135 /nfs/dbraw/zinc/82/91/35/961829135.db2.gz ZMEWLYBKIBOYQL-LLVKDONJSA-N 1 0 260.240 1.039 20 5 CDBDRO CCC[NH2+]CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001340120067 962754918 /nfs/dbraw/zinc/75/49/18/962754918.db2.gz VFAQIRQEFCUPCW-KBPBESRZSA-N 1 0 291.351 1.814 20 5 CDBDRO Cc1cc(NC(=O)C[C@@H]2COCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC001342135848 963649368 /nfs/dbraw/zinc/64/93/68/963649368.db2.gz QQBIWJUWRYXYIE-LLVKDONJSA-N 1 0 279.296 1.220 20 5 CDBDRO C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001342520349 963757358 /nfs/dbraw/zinc/75/73/58/963757358.db2.gz ZGKQDZWYLGHUBA-BXKDBHETSA-N 1 0 263.297 1.524 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001345141458 964595986 /nfs/dbraw/zinc/59/59/86/964595986.db2.gz MLWIHOWYSPPPQR-WDEREUQCSA-N 1 0 294.355 1.953 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH3+] ZINC001353613916 968099812 /nfs/dbraw/zinc/09/98/12/968099812.db2.gz TVZXOWRLIMIYAF-SSDOTTSWSA-N 1 0 269.326 1.394 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1C[NH+]2CCC1CC2 ZINC001353789722 968234623 /nfs/dbraw/zinc/23/46/23/968234623.db2.gz QWLUKDPXQZIJTI-AWEZNQCLSA-N 1 0 289.335 1.348 20 5 CDBDRO C[NH+](C)C1(CNc2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001515831342 969918759 /nfs/dbraw/zinc/91/87/59/969918759.db2.gz DPKJRLKEABEKJR-UHFFFAOYSA-N 1 0 251.290 1.078 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001515986013 969924543 /nfs/dbraw/zinc/92/45/43/969924543.db2.gz BJMJNDHPIRJHHU-IUODEOHRSA-N 1 0 292.383 1.949 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089091048 1173978988 /nfs/dbraw/zinc/97/89/88/1173978988.db2.gz OQYIVTZYQXZTMA-PWSUYJOCSA-N 1 0 277.324 1.760 20 5 CDBDRO CCCNC(=O)CNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601100197 342463957 /nfs/dbraw/zinc/46/39/57/342463957.db2.gz HUNLJZJCLANDQJ-UHFFFAOYSA-N 1 0 288.307 1.503 20 5 CDBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@]1(CO)CCOC1 ZINC000600177731 341983375 /nfs/dbraw/zinc/98/33/75/341983375.db2.gz COQZBWISMPDLFV-CSPWOOARSA-N 1 0 292.335 1.691 20 5 CDBDRO C[NH+](C)C[C@@H](CO)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000589101543 342496833 /nfs/dbraw/zinc/49/68/33/342496833.db2.gz IALAMQYFNMTDSX-VIFPVBQESA-N 1 0 257.265 1.068 20 5 CDBDRO C[NH+](C)C[C@@H](CO)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000589102068 342496956 /nfs/dbraw/zinc/49/69/56/342496956.db2.gz YCCJDDOMEDWYDF-ZETCQYMHSA-N 1 0 275.255 1.207 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000320796529 341994704 /nfs/dbraw/zinc/99/47/04/341994704.db2.gz GPKADMSRHUOJKA-RQJHMYQMSA-N 1 0 257.315 1.512 20 5 CDBDRO Cc1ccc(CN2CCC([NH2+]CCO)CC2)cc1[N+](=O)[O-] ZINC000601329030 342554529 /nfs/dbraw/zinc/55/45/29/342554529.db2.gz DJHWIDZRIIGYOW-UHFFFAOYSA-N 1 0 293.367 1.450 20 5 CDBDRO Cc1cc(C(=O)NCCC[NH2+]C2CC2)cc([N+](=O)[O-])c1 ZINC000137109367 342071733 /nfs/dbraw/zinc/07/17/33/342071733.db2.gz KWLXHXCOOYFZDX-UHFFFAOYSA-N 1 0 277.324 1.775 20 5 CDBDRO C[NH+](C)C1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591138856 342618211 /nfs/dbraw/zinc/61/82/11/342618211.db2.gz CKQXXBVHMWZLJM-UHFFFAOYSA-N 1 0 268.292 1.659 20 5 CDBDRO CC1(C)C[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000618952175 349563979 /nfs/dbraw/zinc/56/39/79/349563979.db2.gz YBSNTKLLWMZXRX-GFCCVEGCSA-N 1 0 280.324 1.676 20 5 CDBDRO O=[N+]([O-])c1ccsc1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591439440 342632165 /nfs/dbraw/zinc/63/21/65/342632165.db2.gz VDIFDYOLEAQZFE-DTWKUNHWSA-N 1 0 253.327 1.845 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCC2CC2)c1 ZINC000591744529 342645083 /nfs/dbraw/zinc/64/50/83/342645083.db2.gz GZHIPNBPQJWPRQ-CYBMUJFWSA-N 1 0 280.324 1.724 20 5 CDBDRO COc1cc(C(=O)N2CC[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1C ZINC000592294590 342683919 /nfs/dbraw/zinc/68/39/19/342683919.db2.gz JFFIRCVKKHTLNI-SNVBAGLBSA-N 1 0 293.323 1.333 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[C@H]1[NH3+] ZINC000592332567 342685560 /nfs/dbraw/zinc/68/55/60/342685560.db2.gz LLGBZQCWRUXJDQ-MWLCHTKSSA-N 1 0 292.339 1.376 20 5 CDBDRO C[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CO1 ZINC000592378257 342687176 /nfs/dbraw/zinc/68/71/76/342687176.db2.gz CJIIUFKGQLMRGX-GXSJLCMTSA-N 1 0 294.307 1.633 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N(C1CC1)C1CC[NH2+]CC1 ZINC000592458248 342694186 /nfs/dbraw/zinc/69/41/86/342694186.db2.gz QCVAIPBPQMACFL-UHFFFAOYSA-N 1 0 278.312 1.280 20 5 CDBDRO CCCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CC[N@H+](C)C1 ZINC000592459252 342694219 /nfs/dbraw/zinc/69/42/19/342694219.db2.gz LLQPVQWZKIYWKC-JTQLQIEISA-N 1 0 280.328 1.479 20 5 CDBDRO C[C@@H](CO)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000593083371 342763403 /nfs/dbraw/zinc/76/34/03/342763403.db2.gz LPEVEUCPERCRLY-NSHDSACASA-N 1 0 282.344 1.132 20 5 CDBDRO COc1ccc(C[N@H+](C)[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000593110706 342769568 /nfs/dbraw/zinc/76/95/68/342769568.db2.gz ZFWFYTWLOLXEQW-SNVBAGLBSA-N 1 0 268.313 1.806 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000070303642 361923294 /nfs/dbraw/zinc/92/32/94/361923294.db2.gz FLHZMOSLEDWLNB-UHFFFAOYSA-N 1 0 255.249 1.025 20 5 CDBDRO Cc1ccc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000382458955 361945148 /nfs/dbraw/zinc/94/51/48/361945148.db2.gz SWRRUPHJVZKYNO-PWSUYJOCSA-N 1 0 277.324 1.760 20 5 CDBDRO COc1ccc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000128245296 361978013 /nfs/dbraw/zinc/97/80/13/361978013.db2.gz HEGPPICBLZFRMW-OLZOCXBDSA-N 1 0 291.351 1.930 20 5 CDBDRO CC1(C)C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000088138918 342227030 /nfs/dbraw/zinc/22/70/30/342227030.db2.gz UHHCAUDGHCJXQY-UHFFFAOYSA-N 1 0 253.258 1.012 20 5 CDBDRO Cn1c(C(=O)NC[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000609383236 342264425 /nfs/dbraw/zinc/26/44/25/342264425.db2.gz QLSNCGJLIVZQMT-SNVBAGLBSA-N 1 0 280.328 1.005 20 5 CDBDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594996668 342994970 /nfs/dbraw/zinc/99/49/70/342994970.db2.gz UWRSRQUKFDNAIY-KGLIPLIRSA-N 1 0 294.307 1.633 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](C)O ZINC000595005288 342995790 /nfs/dbraw/zinc/99/57/90/342995790.db2.gz BHPIEXKEGAYDJQ-BDAKNGLRSA-N 1 0 254.286 1.635 20 5 CDBDRO C[C@@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000595228620 343009281 /nfs/dbraw/zinc/00/92/81/343009281.db2.gz FDLMMQABGFTDTI-MNOVXSKESA-N 1 0 292.339 1.202 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000595260848 343014432 /nfs/dbraw/zinc/01/44/32/343014432.db2.gz MHRDTGVPZGHSDV-VXGBXAGGSA-N 1 0 281.287 1.415 20 5 CDBDRO NC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595338013 343030041 /nfs/dbraw/zinc/03/00/41/343030041.db2.gz OHLRNZMVURFVCD-JTQLQIEISA-N 1 0 295.314 1.821 20 5 CDBDRO Cc1noc(C[NH2+][C@H](C)[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000595435646 343060184 /nfs/dbraw/zinc/06/01/84/343060184.db2.gz HOVCZIQQGLBTIB-VXNVDRBHSA-N 1 0 255.274 1.406 20 5 CDBDRO Cc1noc(C[NH2+][C@H]2CCC[C@@H]2CCO)c1[N+](=O)[O-] ZINC000595455297 343067549 /nfs/dbraw/zinc/06/75/49/343067549.db2.gz RZDVOGIVKUFMSN-ZJUUUORDSA-N 1 0 269.301 1.532 20 5 CDBDRO Cc1noc(CN2CC[N@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000595461745 343070821 /nfs/dbraw/zinc/07/08/21/343070821.db2.gz MGMOKUYVDIVIMC-NSHDSACASA-N 1 0 282.344 1.663 20 5 CDBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000595469007 343072204 /nfs/dbraw/zinc/07/22/04/343072204.db2.gz LOPMEOAKDHLOCN-UHFFFAOYSA-N 1 0 298.314 1.707 20 5 CDBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ncc([N+](=O)[O-])c(N)n1 ZINC000078456376 342337334 /nfs/dbraw/zinc/33/73/34/342337334.db2.gz IZFNFNBOIGTQPY-SNVBAGLBSA-N 1 0 294.359 1.278 20 5 CDBDRO CC[NH+](CC)[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000078575357 342338484 /nfs/dbraw/zinc/33/84/84/342338484.db2.gz GFOWIGYDXRJEKD-LBPRGKRZSA-N 1 0 264.329 1.910 20 5 CDBDRO Cc1c(CC(=O)N(C)CC(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC000595936246 343201924 /nfs/dbraw/zinc/20/19/24/343201924.db2.gz YLUAUPVBHDGBLX-UHFFFAOYSA-N 1 0 279.340 1.641 20 5 CDBDRO Cc1c(CC(=O)N[C@]2(C)CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000595991025 343213079 /nfs/dbraw/zinc/21/30/79/343213079.db2.gz FXOYFLPLOFRPNC-CQSZACIVSA-N 1 0 277.324 1.314 20 5 CDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CC1(C)C ZINC000595912462 343190460 /nfs/dbraw/zinc/19/04/60/343190460.db2.gz MSCOHICTBXLVTD-ZYHUDNBSSA-N 1 0 282.344 1.130 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NCCN1C[C@H](C)OC[C@@H]1C ZINC000596434015 343320354 /nfs/dbraw/zinc/32/03/54/343320354.db2.gz WKLPJLRGMCPBQG-RYUDHWBXSA-N 1 0 294.355 1.241 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000596308323 343293728 /nfs/dbraw/zinc/29/37/28/343293728.db2.gz QVKUZZRMJXGYOB-SNVBAGLBSA-N 1 0 279.344 1.339 20 5 CDBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596275358 343295095 /nfs/dbraw/zinc/29/50/95/343295095.db2.gz QWIOEVUTMJTSHU-UHFFFAOYSA-N 1 0 278.312 1.200 20 5 CDBDRO CO[C@]1(C)C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000090538909 342396353 /nfs/dbraw/zinc/39/63/53/342396353.db2.gz MHDCEYVMTGKKID-DGCLKSJQSA-N 1 0 282.344 1.585 20 5 CDBDRO CC[C@H]([NH2+]CC1(CO)COC1)c1cccc([N+](=O)[O-])c1 ZINC000090644616 342396919 /nfs/dbraw/zinc/39/69/19/342396919.db2.gz FKIDIDVQSVGRBR-ZDUSSCGKSA-N 1 0 280.324 1.644 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000141514781 342434641 /nfs/dbraw/zinc/43/46/41/342434641.db2.gz JARXSOYZLACJQN-NSHDSACASA-N 1 0 295.364 1.967 20 5 CDBDRO C[NH+](C)C1(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000596826599 343396316 /nfs/dbraw/zinc/39/63/16/343396316.db2.gz TWARKRULUXDKOB-UHFFFAOYSA-N 1 0 263.297 1.305 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000598342458 343770875 /nfs/dbraw/zinc/77/08/75/343770875.db2.gz ISGBXGLPPFWTCN-GFCCVEGCSA-N 1 0 277.324 1.809 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000598342889 343771242 /nfs/dbraw/zinc/77/12/42/343771242.db2.gz OLBPHAKUMJKYIE-SECBINFHSA-N 1 0 267.285 1.402 20 5 CDBDRO C[C@@H](CO)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000619705826 349860761 /nfs/dbraw/zinc/86/07/61/349860761.db2.gz TVAIDJCYZHOKOO-SNVBAGLBSA-N 1 0 281.312 1.141 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598913202 343919108 /nfs/dbraw/zinc/91/91/08/343919108.db2.gz FCELONCAWCLKTK-NSHDSACASA-N 1 0 296.302 1.996 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])C[C@H]21 ZINC000599083778 343958294 /nfs/dbraw/zinc/95/82/94/343958294.db2.gz MSZUKHYVFMKEHT-VROVMSAKSA-N 1 0 282.731 1.639 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000599530912 344076320 /nfs/dbraw/zinc/07/63/20/344076320.db2.gz CMFITBVRBLAGKG-SRVKXCTJSA-N 1 0 280.324 1.188 20 5 CDBDRO Cn1ncnc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602601383 344505497 /nfs/dbraw/zinc/50/54/97/344505497.db2.gz LFTVWLYGLDBNRT-UHFFFAOYSA-N 1 0 295.730 1.709 20 5 CDBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000602530550 344455640 /nfs/dbraw/zinc/45/56/40/344455640.db2.gz RYGPVYLJFMMUQQ-CQSZACIVSA-N 1 0 291.351 1.594 20 5 CDBDRO COC[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602505193 344457387 /nfs/dbraw/zinc/45/73/87/344457387.db2.gz VCHYHPCKZVAAMC-LLVKDONJSA-N 1 0 294.355 1.583 20 5 CDBDRO Cc1ccc(CN2CC[N@@H+](C)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000602714676 344554435 /nfs/dbraw/zinc/55/44/35/344554435.db2.gz IZKNHBIUUINQMN-ZDUSSCGKSA-N 1 0 279.340 1.012 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000602800992 344590742 /nfs/dbraw/zinc/59/07/42/344590742.db2.gz KJAXIYNYSFHNLB-CHWSQXEVSA-N 1 0 296.371 1.583 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN(C)CC[N@H+](C)C1CC1 ZINC000602813688 344605276 /nfs/dbraw/zinc/60/52/76/344605276.db2.gz XBPPLSOHECECTH-UHFFFAOYSA-N 1 0 281.360 1.126 20 5 CDBDRO CO[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000602896024 344652799 /nfs/dbraw/zinc/65/27/99/344652799.db2.gz HOBKUMRWPHGKPT-ZDUSSCGKSA-N 1 0 282.296 1.278 20 5 CDBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])C1(C)C ZINC000602841478 344622253 /nfs/dbraw/zinc/62/22/53/344622253.db2.gz OFHQCQGINLTWBY-TVYUQYBPSA-N 1 0 296.371 1.749 20 5 CDBDRO C[NH2+]Cc1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603212526 344744221 /nfs/dbraw/zinc/74/42/21/344744221.db2.gz UIJVVAOXQFDKPL-VIFPVBQESA-N 1 0 261.285 1.515 20 5 CDBDRO CSc1ccc(C(=O)N[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000127247465 187292443 /nfs/dbraw/zinc/29/24/43/187292443.db2.gz VJIDBFORKAZVRD-VIFPVBQESA-N 1 0 281.337 1.408 20 5 CDBDRO O=[N+]([O-])c1cncc(Cl)c1OC[C@@H]1CC[NH2+]C1 ZINC000302509936 344867468 /nfs/dbraw/zinc/86/74/68/344867468.db2.gz BUBCGJRREBNGKI-SSDOTTSWSA-N 1 0 257.677 1.632 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000304339947 344905602 /nfs/dbraw/zinc/90/56/02/344905602.db2.gz YHYBSOQIRRNNJW-YUTCNCBUSA-N 1 0 294.355 1.417 20 5 CDBDRO C[C@H](CNc1c([N+](=O)[O-])ncn1C)C[NH+]1CCCCC1 ZINC000037999285 344984813 /nfs/dbraw/zinc/98/48/13/344984813.db2.gz UWTBLXDEDMEZKN-LLVKDONJSA-N 1 0 281.360 1.862 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2(CO)CC2)n1 ZINC000618571544 345055620 /nfs/dbraw/zinc/05/56/20/345055620.db2.gz BVOPZQXGAIKDQZ-VXGBXAGGSA-N 1 0 294.355 1.637 20 5 CDBDRO Cc1ccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000097092615 185528643 /nfs/dbraw/zinc/52/86/43/185528643.db2.gz ROSQAAFMNHIJDS-ZJUUUORDSA-N 1 0 263.297 1.969 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCN(CCCO)C2)cs1 ZINC000295109284 199349805 /nfs/dbraw/zinc/34/98/05/199349805.db2.gz LLFMHMVRKZNRMF-LBPRGKRZSA-N 1 0 299.396 1.593 20 5 CDBDRO COc1ccc(C(=O)N[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000230733613 345441060 /nfs/dbraw/zinc/44/10/60/345441060.db2.gz WAIPSROQGMFGDK-CYBMUJFWSA-N 1 0 279.296 1.085 20 5 CDBDRO CC[C@@](C)(O)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609544792 345597318 /nfs/dbraw/zinc/59/73/18/345597318.db2.gz XTVHCDZFKDZCDC-CQSZACIVSA-N 1 0 296.323 1.617 20 5 CDBDRO C[N@H+](CCNC(=O)NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000609573121 345812922 /nfs/dbraw/zinc/81/29/22/345812922.db2.gz LPYUQBRXWBBNMZ-UHFFFAOYSA-N 1 0 292.339 1.488 20 5 CDBDRO CO[C@@]1(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000160277875 345773163 /nfs/dbraw/zinc/77/31/63/345773163.db2.gz FNJRJOPHNXRMAH-CQSZACIVSA-N 1 0 296.323 1.369 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@]1(OC)CCOC1 ZINC000160313113 345796566 /nfs/dbraw/zinc/79/65/66/345796566.db2.gz SZPWHMMNEWSTSE-AWEZNQCLSA-N 1 0 296.323 1.499 20 5 CDBDRO C[C@@H](C(=O)NC[C@@H](C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000617698466 345920976 /nfs/dbraw/zinc/92/09/76/345920976.db2.gz XJSKLKBSMRGKFE-GHMZBOCLSA-N 1 0 279.340 1.765 20 5 CDBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCOC1 ZINC000610485235 346297348 /nfs/dbraw/zinc/29/73/48/346297348.db2.gz WEEONLSICJRKLE-LLVKDONJSA-N 1 0 268.317 1.150 20 5 CDBDRO CC(C)(C)[C@@H](C[NH3+])NCCOc1ccccc1[N+](=O)[O-] ZINC000420366938 535040473 /nfs/dbraw/zinc/04/04/73/535040473.db2.gz RNBNKUCEXHKCHR-CYBMUJFWSA-N 1 0 281.356 1.937 20 5 CDBDRO C[NH+]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000610929881 346492123 /nfs/dbraw/zinc/49/21/23/346492123.db2.gz PFOUTCZPYSXGLL-UHFFFAOYSA-N 1 0 293.323 1.113 20 5 CDBDRO COCC[N@H+](C)CCNc1sccc1[N+](=O)[O-] ZINC000611412097 346779394 /nfs/dbraw/zinc/77/93/94/346779394.db2.gz GMDCGKNNIIEETC-UHFFFAOYSA-N 1 0 259.331 1.646 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])nc3)[C@H]2C1 ZINC000611510291 346800893 /nfs/dbraw/zinc/80/08/93/346800893.db2.gz HMHXTXJJYNALCV-PWSUYJOCSA-N 1 0 262.313 1.520 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344451973 362786746 /nfs/dbraw/zinc/78/67/46/362786746.db2.gz AQVYQWYXDXBCAU-UHFFFAOYSA-N 1 0 281.287 1.512 20 5 CDBDRO CC(C)[NH+](CCNC(=O)c1ccc([N+](=O)[O-])n1C)C(C)C ZINC000344480312 362801257 /nfs/dbraw/zinc/80/12/57/362801257.db2.gz GCRGHLWRDAHNMI-UHFFFAOYSA-N 1 0 296.371 1.782 20 5 CDBDRO C[C@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000293650278 362803433 /nfs/dbraw/zinc/80/34/33/362803433.db2.gz FAXGPCSJWTXMNY-SECBINFHSA-N 1 0 283.303 1.661 20 5 CDBDRO CC[NH2+]Cc1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000090299988 347652111 /nfs/dbraw/zinc/65/21/11/347652111.db2.gz BOWSEQOULGPUJA-UHFFFAOYSA-N 1 0 281.703 1.938 20 5 CDBDRO CC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000057000517 348828191 /nfs/dbraw/zinc/82/81/91/348828191.db2.gz GXKULRBIRVAHQL-UHFFFAOYSA-N 1 0 280.328 1.385 20 5 CDBDRO C[C@H]1SCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC000090549845 180002237 /nfs/dbraw/zinc/00/22/37/180002237.db2.gz QIRRZUHNYHYFBW-WDEREUQCSA-N 1 0 297.380 1.582 20 5 CDBDRO COc1cc(N2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000111051306 186348332 /nfs/dbraw/zinc/34/83/32/186348332.db2.gz KOTKQNYNZZMRRH-VIFPVBQESA-N 1 0 251.286 1.388 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111010250 186342537 /nfs/dbraw/zinc/34/25/37/186342537.db2.gz FIKKNZBYJRXAFC-UHFFFAOYSA-N 1 0 285.731 1.978 20 5 CDBDRO C[N@@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000619871049 350866307 /nfs/dbraw/zinc/86/63/07/350866307.db2.gz GZMPPTQXCNODKF-UHFFFAOYSA-N 1 0 291.351 1.690 20 5 CDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCn1cccn1 ZINC000111278982 186386198 /nfs/dbraw/zinc/38/61/98/186386198.db2.gz NUDKXPLJBZOZQF-UHFFFAOYSA-N 1 0 290.323 1.802 20 5 CDBDRO CC[NH+](CC)C[C@@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000078559576 350826192 /nfs/dbraw/zinc/82/61/92/350826192.db2.gz XQFIUMVUNZHWBV-NSHDSACASA-N 1 0 281.360 1.496 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000156126837 351451803 /nfs/dbraw/zinc/45/18/03/351451803.db2.gz PGLXMFMDZSSXHP-ZJUUUORDSA-N 1 0 299.352 1.095 20 5 CDBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C ZINC000036793936 363050922 /nfs/dbraw/zinc/05/09/22/363050922.db2.gz JNSXDVZADBHNRN-UWVGGRQHSA-N 1 0 265.313 1.722 20 5 CDBDRO C[NH2+]CCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000121015791 186945265 /nfs/dbraw/zinc/94/52/65/186945265.db2.gz PRRZUFXLHRTBAW-UHFFFAOYSA-N 1 0 255.249 1.073 20 5 CDBDRO Cc1cc(C(=O)N2CCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000122317171 187026566 /nfs/dbraw/zinc/02/65/66/187026566.db2.gz NEMPSSRZPZDDGU-NSHDSACASA-N 1 0 263.297 1.467 20 5 CDBDRO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1C ZINC000122579103 187039404 /nfs/dbraw/zinc/03/94/04/187039404.db2.gz GRMTUJYXYSUKPY-QWRGUYRKSA-N 1 0 252.318 1.769 20 5 CDBDRO C[C@@H](NC(=O)C(C)(C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000122984174 187063911 /nfs/dbraw/zinc/06/39/11/187063911.db2.gz ZMJUHJOAYYQYCP-SECBINFHSA-N 1 0 265.313 1.757 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000123587723 187100155 /nfs/dbraw/zinc/10/01/55/187100155.db2.gz SIRAHBJUQGQJTN-CQSZACIVSA-N 1 0 263.341 1.821 20 5 CDBDRO CC1(NC(=O)c2csc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000189333338 535186845 /nfs/dbraw/zinc/18/68/45/535186845.db2.gz IVVDJRZFJLFSDU-UHFFFAOYSA-N 1 0 269.326 1.528 20 5 CDBDRO Cc1c(NC(=O)CC[N@@H+](C)C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000156279268 188253077 /nfs/dbraw/zinc/25/30/77/188253077.db2.gz OGQVLCFKUPMEKX-SNVBAGLBSA-N 1 0 295.339 1.544 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000264400590 366172085 /nfs/dbraw/zinc/17/20/85/366172085.db2.gz JLNNZLZHIXJTSH-SECBINFHSA-N 1 0 266.301 1.089 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000272175296 191558809 /nfs/dbraw/zinc/55/88/09/191558809.db2.gz CLFVQBLKQDCIIB-YPMHNXCESA-N 1 0 291.351 1.723 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC2(CCO2)CC1 ZINC000558627247 356039985 /nfs/dbraw/zinc/03/99/85/356039985.db2.gz GSMAEPJXBJRKJP-UHFFFAOYSA-N 1 0 266.301 1.083 20 5 CDBDRO C[C@H]1CC[NH2+][C@@H](C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000127090079 356266471 /nfs/dbraw/zinc/26/64/71/356266471.db2.gz LJFQSODOXPOKKK-CMPLNLGQSA-N 1 0 277.324 1.599 20 5 CDBDRO COc1cccc(NCCN2CCOCC2)c1[N+](=O)[O-] ZINC000134902667 356453706 /nfs/dbraw/zinc/45/37/06/356453706.db2.gz VOPHYAASBAMUEN-UHFFFAOYSA-N 1 0 281.312 1.348 20 5 CDBDRO COCCN1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000336906225 356785201 /nfs/dbraw/zinc/78/52/01/356785201.db2.gz XRMPFUUVFJGYRF-CQSZACIVSA-N 1 0 293.367 1.714 20 5 CDBDRO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000078738857 356960230 /nfs/dbraw/zinc/96/02/30/356960230.db2.gz IZJCSSCMOSYGKD-UHFFFAOYSA-N 1 0 295.339 1.626 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000041028417 357019590 /nfs/dbraw/zinc/01/95/90/357019590.db2.gz IXMCPMAABGNBGV-ZETCQYMHSA-N 1 0 255.299 1.220 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000089090914 357480534 /nfs/dbraw/zinc/48/05/34/357480534.db2.gz FCQHHWYQHCXYDU-UFBFGSQYSA-N 1 0 281.287 1.591 20 5 CDBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000185155342 357515319 /nfs/dbraw/zinc/51/53/19/357515319.db2.gz HUQWMFOGSSDTDD-UHTWSYAYSA-N 1 0 275.308 1.404 20 5 CDBDRO Cc1cccc(C(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1[N+](=O)[O-] ZINC000185187840 357519090 /nfs/dbraw/zinc/51/90/90/357519090.db2.gz RIBHZNQWPBFSBY-RAIGVLPGSA-N 1 0 289.335 1.713 20 5 CDBDRO CC(C)[N@H+](CCOCCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000283762626 357599942 /nfs/dbraw/zinc/59/99/42/357599942.db2.gz NJDBQDSYTZPMIQ-UHFFFAOYSA-N 1 0 296.367 1.857 20 5 CDBDRO C[C@H](CCn1cccn1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000159119219 357642397 /nfs/dbraw/zinc/64/23/97/357642397.db2.gz IAZPVHDGZMMYTG-LLVKDONJSA-N 1 0 278.316 1.056 20 5 CDBDRO C[NH+](C)C[C@@H](O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566476196 357821708 /nfs/dbraw/zinc/82/17/08/357821708.db2.gz UMPXVMYAOGAFKA-GXFFZTMASA-N 1 0 279.340 1.094 20 5 CDBDRO Cc1cc(=O)n(CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000188325678 357879178 /nfs/dbraw/zinc/87/91/78/357879178.db2.gz ZZDGWCSHNXLBKX-UHFFFAOYSA-N 1 0 265.313 1.551 20 5 CDBDRO C[C@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000062893865 357979975 /nfs/dbraw/zinc/97/99/75/357979975.db2.gz FXIPSMDBISWORR-ZDUSSCGKSA-N 1 0 263.297 1.211 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000286942565 358038418 /nfs/dbraw/zinc/03/84/18/358038418.db2.gz KCMZDDGXRPJPRQ-QMMMGPOBSA-N 1 0 285.731 1.928 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCOCCO ZINC000337539793 358079724 /nfs/dbraw/zinc/07/97/24/358079724.db2.gz JQYTZXUEBLAPPD-RAXLEYEMSA-N 1 0 294.351 1.939 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000287239475 358348692 /nfs/dbraw/zinc/34/86/92/358348692.db2.gz WPQYNMNEUIYLAU-QMMMGPOBSA-N 1 0 267.289 1.061 20 5 CDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CC[NH3+] ZINC000236796485 366424238 /nfs/dbraw/zinc/42/42/38/366424238.db2.gz ARBHEXJRGKMTCV-UHFFFAOYSA-N 1 0 265.313 1.681 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+](CCO)Cc2ccccc2)n1 ZINC000176208856 358737502 /nfs/dbraw/zinc/73/75/02/358737502.db2.gz NLXJMBJKBZPBSD-UHFFFAOYSA-N 1 0 290.323 1.286 20 5 CDBDRO NC(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000541801979 358783300 /nfs/dbraw/zinc/78/33/00/358783300.db2.gz RBLYHXUXQIRFCC-OAHLLOKOSA-N 1 0 299.330 1.781 20 5 CDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[NH2+]CC1 ZINC000019432589 359134817 /nfs/dbraw/zinc/13/48/17/359134817.db2.gz XPVYAFILUMDKKH-AATRIKPKSA-N 1 0 275.308 1.430 20 5 CDBDRO CSCC[C@H]([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015944 359279719 /nfs/dbraw/zinc/27/97/19/359279719.db2.gz MKFKJHHYGLTQFT-JTQLQIEISA-N 1 0 283.353 1.291 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000112926486 359365370 /nfs/dbraw/zinc/36/53/70/359365370.db2.gz JBMYITPJKJJJGX-UHFFFAOYSA-N 1 0 265.313 1.585 20 5 CDBDRO CC(C)[C@@]1(CO)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000339702143 359430850 /nfs/dbraw/zinc/43/08/50/359430850.db2.gz RYEOIBPYKSGOQH-AWEZNQCLSA-N 1 0 296.371 1.522 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC(C)(C)CCC[NH3+] ZINC000340137123 359570277 /nfs/dbraw/zinc/57/02/77/359570277.db2.gz DBQPMEZAAXNYTP-UHFFFAOYSA-N 1 0 280.328 1.546 20 5 CDBDRO Cc1nc(N[C@H]2CCC[C@H]([NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000297347220 200156639 /nfs/dbraw/zinc/15/66/39/200156639.db2.gz BGHODWHGBIGQGT-QWRGUYRKSA-N 1 0 279.344 1.978 20 5 CDBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C)C1 ZINC000356802136 366560751 /nfs/dbraw/zinc/56/07/51/366560751.db2.gz NBXPNBBXQKQBNJ-GFCCVEGCSA-N 1 0 295.314 1.900 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000089107165 283504371 /nfs/dbraw/zinc/50/43/71/283504371.db2.gz UYJQRKYRXMUCOS-PSASIEDQSA-N 1 0 266.301 1.170 20 5 CDBDRO O=[N+]([O-])c1cnc2c(c1)CN(C[C@H]1CCCC[C@@H]1O)CC2 ZINC000572164313 359949145 /nfs/dbraw/zinc/94/91/45/359949145.db2.gz ZTODOXKWBVINPA-ABAIWWIYSA-N 1 0 291.351 1.899 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000548085122 360093217 /nfs/dbraw/zinc/09/32/17/360093217.db2.gz DVJSNUAXHSXIQK-SNVBAGLBSA-N 1 0 295.343 1.168 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000514783987 360225447 /nfs/dbraw/zinc/22/54/47/360225447.db2.gz ZUJKIYGJHOTNBE-GHMZBOCLSA-N 1 0 292.339 1.487 20 5 CDBDRO C[C@H](O)CCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000354870735 360242444 /nfs/dbraw/zinc/24/24/44/360242444.db2.gz KPPDUDABNDQPIF-ZDUSSCGKSA-N 1 0 293.367 1.878 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000235680586 360594660 /nfs/dbraw/zinc/59/46/60/360594660.db2.gz VRJZFRWGWMGQFV-QWRGUYRKSA-N 1 0 277.324 1.774 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCNC2=O)cc1[N+](=O)[O-] ZINC000289758441 360946226 /nfs/dbraw/zinc/94/62/26/360946226.db2.gz HXZPNUZYEXXIGG-LLVKDONJSA-N 1 0 292.339 1.579 20 5 CDBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000572484314 360950386 /nfs/dbraw/zinc/95/03/86/360950386.db2.gz QCJXGNPGZHBYGX-MFKMUULPSA-N 1 0 295.339 1.463 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000408468849 361203833 /nfs/dbraw/zinc/20/38/33/361203833.db2.gz RDWJROMJLPQOPS-YPMHNXCESA-N 1 0 275.308 1.371 20 5 CDBDRO CO[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000267649722 361256071 /nfs/dbraw/zinc/25/60/71/361256071.db2.gz KXHFGDIISMXPOE-ZDUSSCGKSA-N 1 0 266.297 1.694 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1F ZINC000053253115 361402941 /nfs/dbraw/zinc/40/29/41/361402941.db2.gz LCXOPTLOAQKOIF-MRVPVSSYSA-N 1 0 267.260 1.216 20 5 CDBDRO Cc1c([C@H](C)[NH2+][C@@H]2COC[C@H]2O)cccc1[N+](=O)[O-] ZINC000295890257 370743774 /nfs/dbraw/zinc/74/37/74/370743774.db2.gz HUFVEODFPSNOPN-UFGOTCBOSA-N 1 0 266.297 1.314 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]([NH3+])C(C)C)c1 ZINC000088147803 364260996 /nfs/dbraw/zinc/26/09/96/364260996.db2.gz VXLODWHBWZLPCH-NSHDSACASA-N 1 0 265.313 1.616 20 5 CDBDRO C[C@@H](NCCC[NH+](C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293740322 364474184 /nfs/dbraw/zinc/47/41/84/364474184.db2.gz NNBOMQWRPGTIDX-SNVBAGLBSA-N 1 0 266.345 1.779 20 5 CDBDRO C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000249580468 364919050 /nfs/dbraw/zinc/91/90/50/364919050.db2.gz QUWBARQIJYXUEM-SMDDNHRTSA-N 1 0 291.351 1.723 20 5 CDBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000278073471 365484267 /nfs/dbraw/zinc/48/42/67/365484267.db2.gz XGKDLDUKZMUFAH-NSHDSACASA-N 1 0 292.339 1.670 20 5 CDBDRO Cc1ccc(NC(=O)N(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000414668626 241311107 /nfs/dbraw/zinc/31/11/07/241311107.db2.gz YUWIHDRZAYZQEK-UHFFFAOYSA-N 1 0 252.274 1.326 20 5 CDBDRO Cc1c(NC(=O)N(C)C2CC([NH3+])C2)cccc1[N+](=O)[O-] ZINC000414714445 241348477 /nfs/dbraw/zinc/34/84/77/241348477.db2.gz VRRLZLBBOSJWIB-UHFFFAOYSA-N 1 0 278.312 1.857 20 5 CDBDRO COc1ccc(CN[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414801237 241395794 /nfs/dbraw/zinc/39/57/94/241395794.db2.gz LSDMHJWKMVIQOS-LLVKDONJSA-N 1 0 265.313 1.430 20 5 CDBDRO C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000094339525 367140653 /nfs/dbraw/zinc/14/06/53/367140653.db2.gz SWXUKJSNEYTDMV-ZYHUDNBSSA-N 1 0 277.324 1.333 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000218440804 367262409 /nfs/dbraw/zinc/26/24/09/367262409.db2.gz QEXAQNXDCXCJDM-PELKAZGASA-N 1 0 279.271 1.168 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000094340191 367316073 /nfs/dbraw/zinc/31/60/73/367316073.db2.gz QPBXYPNXBYFSNM-ZHVYSYIMSA-N 1 0 289.335 1.804 20 5 CDBDRO CC(C)[N@H+](C)CCCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272360652 367696450 /nfs/dbraw/zinc/69/64/50/367696450.db2.gz BZZBSKZYORTSCT-UHFFFAOYSA-N 1 0 294.355 1.637 20 5 CDBDRO C[C@@H](O)[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000272546616 367760854 /nfs/dbraw/zinc/76/08/54/367760854.db2.gz KEURAKIQVVMUHW-VXGBXAGGSA-N 1 0 280.324 1.676 20 5 CDBDRO Cc1n[nH]c(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000272611364 367782190 /nfs/dbraw/zinc/78/21/90/367782190.db2.gz WFTMRFNVIBIWFH-VIFPVBQESA-N 1 0 275.312 1.915 20 5 CDBDRO CC(C)(CO)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000161273897 368144587 /nfs/dbraw/zinc/14/45/87/368144587.db2.gz RHQPONLRAVDORI-UHFFFAOYSA-N 1 0 252.314 1.745 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000418704049 243356800 /nfs/dbraw/zinc/35/68/00/243356800.db2.gz MNSBWGHWRNWDJL-NSHDSACASA-N 1 0 294.355 1.864 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](C)CC[NH3+] ZINC000414878342 368638579 /nfs/dbraw/zinc/63/85/79/368638579.db2.gz HDWLUDKOYMFNHT-JTQLQIEISA-N 1 0 267.329 1.820 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](C)C[NH3+] ZINC000414870728 370919055 /nfs/dbraw/zinc/91/90/55/370919055.db2.gz CGNFKQJVEFGGRF-SNVBAGLBSA-N 1 0 267.329 1.678 20 5 CDBDRO C[C@@]1(F)C[NH2+]CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000420335071 244101901 /nfs/dbraw/zinc/10/19/01/244101901.db2.gz OYIQZQGYCPHXSC-CQSZACIVSA-N 1 0 297.330 1.607 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420354648 244128427 /nfs/dbraw/zinc/12/84/27/244128427.db2.gz BWTGBMMPRRIZLO-ZYHUDNBSSA-N 1 0 292.339 1.121 20 5 CDBDRO CCc1ccc(C(=O)NC[C@@H]([NH3+])CC)cc1[N+](=O)[O-] ZINC000295241596 369719774 /nfs/dbraw/zinc/71/97/74/369719774.db2.gz PCUFGTVCZLAUQI-NSHDSACASA-N 1 0 265.313 1.624 20 5 CDBDRO C[C@H](C[NH3+])NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414923175 370315891 /nfs/dbraw/zinc/31/58/91/370315891.db2.gz DKHVHJZRKMNJIV-SNVBAGLBSA-N 1 0 289.339 1.432 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC=C(c3cccnc3)C2)n1 ZINC000295688235 370571243 /nfs/dbraw/zinc/57/12/43/370571243.db2.gz DAEZJWQYNFSCGH-UHFFFAOYSA-N 1 0 299.334 1.976 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[NH2+]CC1 ZINC000422714535 245172870 /nfs/dbraw/zinc/17/28/70/245172870.db2.gz REHZIXYGRGEQLY-UHFFFAOYSA-N 1 0 293.323 1.429 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCC1([NH3+])CCCCCC1 ZINC000422742859 245203438 /nfs/dbraw/zinc/20/34/38/245203438.db2.gz SJKOUGRWKKMJDB-UHFFFAOYSA-N 1 0 295.343 1.110 20 5 CDBDRO CC[C@H]1CN(C)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000520448741 371980411 /nfs/dbraw/zinc/98/04/11/371980411.db2.gz QSWJBJMNKUFZGG-JTQLQIEISA-N 1 0 280.328 1.100 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000179487955 372284293 /nfs/dbraw/zinc/28/42/93/372284293.db2.gz LIRWGTPSPLNAIW-SNVBAGLBSA-N 1 0 293.323 1.372 20 5 CDBDRO C[C@]1(O)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000177996998 372941840 /nfs/dbraw/zinc/94/18/40/372941840.db2.gz XHLVDAGQNHHVMH-AWEZNQCLSA-N 1 0 293.323 1.380 20 5 CDBDRO Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000161389700 373514035 /nfs/dbraw/zinc/51/40/35/373514035.db2.gz RRNLPTUESBXZOC-VXGBXAGGSA-N 1 0 277.324 1.903 20 5 CDBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000419006638 374272157 /nfs/dbraw/zinc/27/21/57/374272157.db2.gz HYCKZKRELRSOKA-UHFFFAOYSA-N 1 0 254.265 1.635 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)C[NH3+] ZINC000423456027 374383656 /nfs/dbraw/zinc/38/36/56/374383656.db2.gz NJHKIKIVHKQHKP-MRVPVSSYSA-N 1 0 279.340 1.845 20 5 CDBDRO [NH3+]CCCCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423514810 374387517 /nfs/dbraw/zinc/38/75/17/374387517.db2.gz WQRHLOJWFSWPET-UHFFFAOYSA-N 1 0 288.307 1.612 20 5 CDBDRO CCS(=O)(=O)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000086973806 374408404 /nfs/dbraw/zinc/40/84/04/374408404.db2.gz PMDZVKYQICQONU-UHFFFAOYSA-N 1 0 286.353 1.509 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[NH+](C)C ZINC000080389723 374465141 /nfs/dbraw/zinc/46/51/41/374465141.db2.gz QTAUASWKJPEMSX-UHFFFAOYSA-N 1 0 281.312 1.237 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000424031480 246299182 /nfs/dbraw/zinc/29/91/82/246299182.db2.gz IYMOQLGSUPXULL-UHFFFAOYSA-N 1 0 299.758 1.859 20 5 CDBDRO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000356901257 374596153 /nfs/dbraw/zinc/59/61/53/374596153.db2.gz XMXWZONDYLFPJF-UHFFFAOYSA-N 1 0 295.314 1.900 20 5 CDBDRO NC(=O)C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000377603660 374611832 /nfs/dbraw/zinc/61/18/32/374611832.db2.gz HMMILZIZGPDLIO-LLVKDONJSA-N 1 0 293.323 1.171 20 5 CDBDRO CC[N@@H+]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000377595341 374612985 /nfs/dbraw/zinc/61/29/85/374612985.db2.gz MPVVQESJNOOCBS-UHFFFAOYSA-N 1 0 277.324 1.763 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000094339790 374831444 /nfs/dbraw/zinc/83/14/44/374831444.db2.gz JGLYHEGQRURTEI-WDEREUQCSA-N 1 0 277.324 1.713 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000124585301 374825159 /nfs/dbraw/zinc/82/51/59/374825159.db2.gz LNBSHZUJJGFTJT-UHFFFAOYSA-N 1 0 265.313 1.585 20 5 CDBDRO [NH3+][C@H]1CCN(c2cnc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000095072147 374864450 /nfs/dbraw/zinc/86/44/50/374864450.db2.gz PYZVYNOAGJMRRV-QMMMGPOBSA-N 1 0 259.269 1.075 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCCC1(C)C ZINC000331134808 374893926 /nfs/dbraw/zinc/89/39/26/374893926.db2.gz CEUBNQRJUUVQPJ-JTQLQIEISA-N 1 0 252.318 1.997 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000331474083 374959178 /nfs/dbraw/zinc/95/91/78/374959178.db2.gz IQDBUHKCPWSRIY-JTQLQIEISA-N 1 0 293.298 1.700 20 5 CDBDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000279785315 374961906 /nfs/dbraw/zinc/96/19/06/374961906.db2.gz LUCNIXBJRIAYQA-CYBMUJFWSA-N 1 0 291.351 1.943 20 5 CDBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332685313 375042022 /nfs/dbraw/zinc/04/20/22/375042022.db2.gz UKKFENGVTVILCS-CYBMUJFWSA-N 1 0 282.344 1.455 20 5 CDBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282376499 375082428 /nfs/dbraw/zinc/08/24/28/375082428.db2.gz CMUVCVKHDFOYED-PELKAZGASA-N 1 0 281.287 1.348 20 5 CDBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000056492610 375324953 /nfs/dbraw/zinc/32/49/53/375324953.db2.gz IKNBOBCYAKSNFG-ZDUSSCGKSA-N 1 0 293.323 1.313 20 5 CDBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1CO ZINC000226930990 375406129 /nfs/dbraw/zinc/40/61/29/375406129.db2.gz WGBNXMNSGMBOOO-NOZJJQNGSA-N 1 0 268.288 1.937 20 5 CDBDRO C[NH+](C)C[C@](C)(O)CNc1ccccc1[N+](=O)[O-] ZINC000132980159 375653422 /nfs/dbraw/zinc/65/34/22/375653422.db2.gz OYNALTZYFVAXBI-GFCCVEGCSA-N 1 0 253.302 1.319 20 5 CDBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])c(C2CC2)n1)C1CC1 ZINC000357437939 375911230 /nfs/dbraw/zinc/91/12/30/375911230.db2.gz LQGFBBMGOTUAGR-NSHDSACASA-N 1 0 280.328 1.124 20 5 CDBDRO C[N@H+](C[C@@H](O)CSc1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000357434876 375909135 /nfs/dbraw/zinc/90/91/35/375909135.db2.gz GPHHGUNUXXNIAW-LLVKDONJSA-N 1 0 283.353 1.537 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](CCO)CCCO ZINC000347375077 376056407 /nfs/dbraw/zinc/05/64/07/376056407.db2.gz ZAVYXUXJTZNPDO-JLHYYAGUSA-N 1 0 294.351 1.675 20 5 CDBDRO COc1cc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)ccn1 ZINC000347565008 376409368 /nfs/dbraw/zinc/40/93/68/376409368.db2.gz QFQHEUFVBLRYDD-JTQLQIEISA-N 1 0 291.311 1.546 20 5 CDBDRO C[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1C ZINC000347590071 376561893 /nfs/dbraw/zinc/56/18/93/376561893.db2.gz LXZQBJYONMXODR-ZJUUUORDSA-N 1 0 252.318 1.806 20 5 CDBDRO C[C@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1C ZINC000347590068 376562168 /nfs/dbraw/zinc/56/21/68/376562168.db2.gz LXZQBJYONMXODR-VHSXEESVSA-N 1 0 252.318 1.806 20 5 CDBDRO C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC000245594368 378595064 /nfs/dbraw/zinc/59/50/64/378595064.db2.gz QZJWYOVAPZAXET-NEPJUHHUSA-N 1 0 279.340 1.877 20 5 CDBDRO CCc1ccc(C(=O)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000266950822 378885366 /nfs/dbraw/zinc/88/53/66/378885366.db2.gz SQBFXEKWSVWHEV-JTQLQIEISA-N 1 0 279.340 1.837 20 5 CDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](CO)C1 ZINC000266956436 378907920 /nfs/dbraw/zinc/90/79/20/378907920.db2.gz VRYORRUPKWJFCY-QWRGUYRKSA-N 1 0 293.323 1.236 20 5 CDBDRO C[C@H](NC(=O)[C@H]1C[C@]12CC[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000444152252 250090443 /nfs/dbraw/zinc/09/04/43/250090443.db2.gz MLTRDZMZKRPWCY-ZBINZKHDSA-N 1 0 289.335 1.772 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000449642740 250947077 /nfs/dbraw/zinc/94/70/77/250947077.db2.gz XUDICOPVBKZXTR-OLZOCXBDSA-N 1 0 291.351 1.771 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000418080689 532962987 /nfs/dbraw/zinc/96/29/87/532962987.db2.gz MUKHEMUYAIRYBD-GFCCVEGCSA-N 1 0 292.339 1.407 20 5 CDBDRO [NH3+]CCN(Cc1csnn1)c1ccccc1[N+](=O)[O-] ZINC000289919176 197528951 /nfs/dbraw/zinc/52/89/51/197528951.db2.gz VPEYLHLRSYPPNU-UHFFFAOYSA-N 1 0 279.325 1.412 20 5 CDBDRO O=[N+]([O-])c1c2cccnc2ccc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000083420299 285080275 /nfs/dbraw/zinc/08/02/75/285080275.db2.gz UQAJXDNUQCSYSW-PHIMTYICSA-N 1 0 284.319 1.799 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCCC[NH+](C)C ZINC000281113987 195108921 /nfs/dbraw/zinc/10/89/21/195108921.db2.gz HMLXOUGZWQHBMK-UHFFFAOYSA-N 1 0 295.339 1.675 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000491637269 253094040 /nfs/dbraw/zinc/09/40/40/253094040.db2.gz IHEOUHDHUUQTLD-SZZPACECSA-N 1 0 289.335 1.676 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261604484 285091891 /nfs/dbraw/zinc/09/18/91/285091891.db2.gz RDIIJGBMBLQQPS-BDAKNGLRSA-N 1 0 282.731 1.689 20 5 CDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCC[NH+]1CCC1 ZINC000492223528 253177285 /nfs/dbraw/zinc/17/72/85/253177285.db2.gz UPWRZEIYXXJOLU-VOTSOKGWSA-N 1 0 275.308 1.430 20 5 CDBDRO CSCCC[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000281314656 195193992 /nfs/dbraw/zinc/19/39/92/195193992.db2.gz IHPASCJHMWOWIR-UHFFFAOYSA-N 1 0 297.380 1.879 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000094340489 184784472 /nfs/dbraw/zinc/78/44/72/184784472.db2.gz IQHNXCQMPIJUAW-JQWIXIFHSA-N 1 0 277.324 1.713 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000433022023 390494999 /nfs/dbraw/zinc/49/49/99/390494999.db2.gz SRDDGCXWDPTRLW-NSHDSACASA-N 1 0 280.328 1.208 20 5 CDBDRO CCOc1ccc(C(=O)N2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000158100882 390657480 /nfs/dbraw/zinc/65/74/80/390657480.db2.gz WQVFMVAAROAKNX-LLVKDONJSA-N 1 0 293.323 1.557 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000286916712 390815197 /nfs/dbraw/zinc/81/51/97/390815197.db2.gz HYMVSNKHBCMOFL-QMMMGPOBSA-N 1 0 291.311 1.151 20 5 CDBDRO Nc1c(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000449711355 390924131 /nfs/dbraw/zinc/92/41/31/390924131.db2.gz DHAAHFQRWGNXDY-DTWKUNHWSA-N 1 0 278.312 1.034 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[N@H+](C)CC1 ZINC000411154689 390965898 /nfs/dbraw/zinc/96/58/98/390965898.db2.gz LTGSDQMZYLUWKC-UHFFFAOYSA-N 1 0 279.340 1.741 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C)C[NH+](C)C ZINC000291910181 391106902 /nfs/dbraw/zinc/10/69/02/391106902.db2.gz QSFVUGNSUSHHAN-VIFPVBQESA-N 1 0 269.349 1.729 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@@H+](C2CC2)C1 ZINC000295735020 391126613 /nfs/dbraw/zinc/12/66/13/391126613.db2.gz RXYIRANTCYNKPR-JTQLQIEISA-N 1 0 292.339 1.479 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000517554045 391165393 /nfs/dbraw/zinc/16/53/93/391165393.db2.gz CRZGVWRAUHBLTA-CQSZACIVSA-N 1 0 295.339 1.707 20 5 CDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cc(F)ccc1[N+](=O)[O-] ZINC000366553300 391187555 /nfs/dbraw/zinc/18/75/55/391187555.db2.gz GTKRPBHEQPZABR-IUCAKERBSA-N 1 0 285.250 1.164 20 5 CDBDRO COc1cc(C[NH2+]CC2(CO)CCC2)c([N+](=O)[O-])cc1O ZINC000184376443 391277280 /nfs/dbraw/zinc/27/72/80/391277280.db2.gz GPIOFOVWVXHXQK-UHFFFAOYSA-N 1 0 296.323 1.561 20 5 CDBDRO CC[NH2+]CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000415304397 391281177 /nfs/dbraw/zinc/28/11/77/391281177.db2.gz VWPCXRXHLMPWOB-UHFFFAOYSA-N 1 0 280.328 1.943 20 5 CDBDRO Cc1c(CNC(=O)CC(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC000231855826 391293462 /nfs/dbraw/zinc/29/34/62/391293462.db2.gz XIWGMVYJXQBDQR-UHFFFAOYSA-N 1 0 265.313 1.647 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC(C)(C)[NH3+] ZINC000415499199 391467827 /nfs/dbraw/zinc/46/78/27/391467827.db2.gz JUXXTURQBVSGLU-UHFFFAOYSA-N 1 0 282.300 1.462 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415630847 391469589 /nfs/dbraw/zinc/46/95/89/391469589.db2.gz LOLAEGBAGXGCRG-PRHODGIISA-N 1 0 296.302 1.996 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000264937933 391577943 /nfs/dbraw/zinc/57/79/43/391577943.db2.gz HBWVRRIEJTXUEK-JTQLQIEISA-N 1 0 250.302 1.378 20 5 CDBDRO CO[C@@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000568079068 391578967 /nfs/dbraw/zinc/57/89/67/391578967.db2.gz ASPUFBSMKMXHJX-MNOVXSKESA-N 1 0 295.339 1.936 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000413088716 391680797 /nfs/dbraw/zinc/68/07/97/391680797.db2.gz YAYJFRHBVSUYLV-MRVPVSSYSA-N 1 0 254.265 1.635 20 5 CDBDRO CC(C)Oc1nc(N2CC[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000574054172 391732002 /nfs/dbraw/zinc/73/20/02/391732002.db2.gz UWIXQFAYJQCTHE-LLVKDONJSA-N 1 0 294.355 1.917 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[NH2+]C(C)(C)C)n1 ZINC000342109519 130267509 /nfs/dbraw/zinc/26/75/09/130267509.db2.gz HDPDZRLTVSENLG-UHFFFAOYSA-N 1 0 296.327 1.576 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](C)Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000357563305 391939696 /nfs/dbraw/zinc/93/96/96/391939696.db2.gz HGOLJAJPMMBSJY-JTQLQIEISA-N 1 0 294.355 1.834 20 5 CDBDRO CC(C)[C@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000089307344 391998587 /nfs/dbraw/zinc/99/85/87/391998587.db2.gz RAKDEUHNGPYTIW-CQSZACIVSA-N 1 0 293.367 1.840 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261674539 131161045 /nfs/dbraw/zinc/16/10/45/131161045.db2.gz GCEQPOAWDXDQDR-AAEUAGOBSA-N 1 0 275.308 1.419 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261711098 131163772 /nfs/dbraw/zinc/16/37/72/131163772.db2.gz PDIQMKOGDVPSNO-QWHCGFSZSA-N 1 0 289.335 1.205 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261728002 131164872 /nfs/dbraw/zinc/16/48/72/131164872.db2.gz QTDQHHPQIGNLEX-VXGBXAGGSA-N 1 0 289.335 1.585 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000262816439 131264855 /nfs/dbraw/zinc/26/48/55/131264855.db2.gz PDBQNHVQIOZJCM-MFKMUULPSA-N 1 0 293.323 1.088 20 5 CDBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000549186053 392543904 /nfs/dbraw/zinc/54/39/04/392543904.db2.gz WWMJURWAPRMXEZ-SNVBAGLBSA-N 1 0 293.327 1.018 20 5 CDBDRO NC(=O)c1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596091938 392621642 /nfs/dbraw/zinc/62/16/42/392621642.db2.gz QCERHSJPMQSJAW-SNVBAGLBSA-N 1 0 290.323 1.342 20 5 CDBDRO CC[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000268735263 132057684 /nfs/dbraw/zinc/05/76/84/132057684.db2.gz NHEQZHXYEWLVMP-GFCCVEGCSA-N 1 0 294.355 1.463 20 5 CDBDRO Cc1c([C@H](C)[NH2+][C@H]2CC(=O)N(C)C2)cccc1[N+](=O)[O-] ZINC000268812992 132069824 /nfs/dbraw/zinc/06/98/24/132069824.db2.gz HOQNPRKLUVOZGM-QWRGUYRKSA-N 1 0 277.324 1.785 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000268954696 132093493 /nfs/dbraw/zinc/09/34/93/132093493.db2.gz YKQULBFMTPZBGF-SECBINFHSA-N 1 0 281.312 1.218 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000269225955 132136541 /nfs/dbraw/zinc/13/65/41/132136541.db2.gz FGHOMFFGFVYNNV-PSASIEDQSA-N 1 0 297.742 1.992 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000421699050 392942077 /nfs/dbraw/zinc/94/20/77/392942077.db2.gz ADUQNRYKSMQSPX-NSHDSACASA-N 1 0 277.324 1.761 20 5 CDBDRO COC[C@@](C)([NH3+])CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000269358685 132160633 /nfs/dbraw/zinc/16/06/33/132160633.db2.gz IRQRMITUNHYWDT-JTQLQIEISA-N 1 0 274.708 1.419 20 5 CDBDRO Cc1cc(NC[C@@H]2CN3CCN2CC3)ccc1[N+](=O)[O-] ZINC000269461742 132174599 /nfs/dbraw/zinc/17/45/99/132174599.db2.gz HDFINVIWGBJKDZ-CYBMUJFWSA-N 1 0 276.340 1.315 20 5 CDBDRO COc1cc(C(=O)NC[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1C ZINC000423542599 392964034 /nfs/dbraw/zinc/96/40/34/392964034.db2.gz BHNQWMHBMXLHDF-SNVBAGLBSA-N 1 0 293.323 1.251 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423599220 392964717 /nfs/dbraw/zinc/96/47/17/392964717.db2.gz WZZZVUYTWXOQPL-BDAKNGLRSA-N 1 0 278.312 1.177 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423636364 392965367 /nfs/dbraw/zinc/96/53/67/392965367.db2.gz SGNXKYWGJYXOJD-SECBINFHSA-N 1 0 288.307 1.481 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000423683863 392966975 /nfs/dbraw/zinc/96/69/75/392966975.db2.gz QPLPZBLAZMYNEP-UWVGGRQHSA-N 1 0 265.313 1.677 20 5 CDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000425488484 393025452 /nfs/dbraw/zinc/02/54/52/393025452.db2.gz XAPFCLJBNQVCEV-LBPRGKRZSA-N 1 0 281.360 1.063 20 5 CDBDRO COc1ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000429919582 393088510 /nfs/dbraw/zinc/08/85/10/393088510.db2.gz RLXZLRYWKNFVED-GFCCVEGCSA-N 1 0 295.339 1.593 20 5 CDBDRO [NH3+]C[C@H]1CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000430561531 393101352 /nfs/dbraw/zinc/10/13/52/393101352.db2.gz MLQAOYWKUHSQGY-GFCCVEGCSA-N 1 0 265.313 1.397 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000430561532 393101376 /nfs/dbraw/zinc/10/13/76/393101376.db2.gz MLQAOYWKUHSQGY-LBPRGKRZSA-N 1 0 265.313 1.397 20 5 CDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC000430929937 393105707 /nfs/dbraw/zinc/10/57/07/393105707.db2.gz YOWNORLIMXESIC-NSHDSACASA-N 1 0 292.339 1.217 20 5 CDBDRO C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000430961067 393106436 /nfs/dbraw/zinc/10/64/36/393106436.db2.gz MEDRAUVRQBAYCG-TXEJJXNPSA-N 1 0 279.340 1.656 20 5 CDBDRO CNC(=O)[C@H](C)C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000081524159 393064474 /nfs/dbraw/zinc/06/44/74/393064474.db2.gz BCSKFNWMJMMTKX-LLVKDONJSA-N 1 0 279.340 1.451 20 5 CDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H](C)[NH3+] ZINC000449582991 393135561 /nfs/dbraw/zinc/13/55/61/393135561.db2.gz AZRXUAVYIKFEOO-NKWVEPMBSA-N 1 0 271.704 1.714 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCn3ccnc3C2)cc1 ZINC000494414614 393231827 /nfs/dbraw/zinc/23/18/27/393231827.db2.gz WNUMKVSUIQBJQK-LBPRGKRZSA-N 1 0 272.308 1.896 20 5 CDBDRO COCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCC[C@H]1C ZINC000487981079 393378745 /nfs/dbraw/zinc/37/87/45/393378745.db2.gz NGGHZFOVWGEWJT-NEPJUHHUSA-N 1 0 296.371 1.965 20 5 CDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1CC(C)(C)O ZINC000275644461 135111008 /nfs/dbraw/zinc/11/10/08/135111008.db2.gz WVGJDEZOVPDINL-LLVKDONJSA-N 1 0 294.355 1.271 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000232231754 140220500 /nfs/dbraw/zinc/22/05/00/140220500.db2.gz MCPDXPUUSRBWJN-LLVKDONJSA-N 1 0 263.297 1.467 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000232237125 140222240 /nfs/dbraw/zinc/22/22/40/140222240.db2.gz FXFGTAMQDXYJOP-JTQLQIEISA-N 1 0 281.287 1.606 20 5 CDBDRO C[NH+](C)CCOCCNc1ncc([N+](=O)[O-])s1 ZINC000234276270 140229905 /nfs/dbraw/zinc/22/99/05/140229905.db2.gz MIAQRZFFCKUUEH-UHFFFAOYSA-N 1 0 260.319 1.041 20 5 CDBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235431528 140235711 /nfs/dbraw/zinc/23/57/11/140235711.db2.gz BNQLKASMBRFKOH-ZJUUUORDSA-N 1 0 299.352 1.014 20 5 CDBDRO [NH3+]C1(CNc2ncc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000236197872 140238637 /nfs/dbraw/zinc/23/86/37/140238637.db2.gz BIGTXZARAHENPX-UHFFFAOYSA-N 1 0 256.693 1.937 20 5 CDBDRO CCCC[C@@H]([NH3+])C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000236745717 140243984 /nfs/dbraw/zinc/24/39/84/140243984.db2.gz RLDLDCOCJPOSHY-CYBMUJFWSA-N 1 0 294.355 1.640 20 5 CDBDRO COc1ccc(CN2CC[C@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000261589743 140357911 /nfs/dbraw/zinc/35/79/11/140357911.db2.gz KWYYWBJUWDWHIW-ONGXEEELSA-N 1 0 265.313 1.525 20 5 CDBDRO CN(c1ncnc2sc([N+](=O)[O-])cc21)[C@@H]1CC[NH2+]C1 ZINC000261597878 140360844 /nfs/dbraw/zinc/36/08/44/140360844.db2.gz PAXUTWHHDZWFPZ-SSDOTTSWSA-N 1 0 279.325 1.398 20 5 CDBDRO COc1ccc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000261604219 140362428 /nfs/dbraw/zinc/36/24/28/140362428.db2.gz CLWCSGLFQQCJLM-QWHCGFSZSA-N 1 0 291.351 1.787 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000261622796 140364846 /nfs/dbraw/zinc/36/48/46/140364846.db2.gz AIFWVDDYVBAXSU-WCQYABFASA-N 1 0 291.351 1.723 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000261705823 140377589 /nfs/dbraw/zinc/37/75/89/140377589.db2.gz IXNYUOBEVYLKHB-KOLCDFICSA-N 1 0 281.360 1.683 20 5 CDBDRO CCc1nn(C)c(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1[N+](=O)[O-] ZINC000261734673 140382440 /nfs/dbraw/zinc/38/24/40/140382440.db2.gz LNSZDTJFNKDOTO-ONGXEEELSA-N 1 0 279.344 1.079 20 5 CDBDRO O=[N+]([O-])c1cccc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000261772094 140387635 /nfs/dbraw/zinc/38/76/35/140387635.db2.gz WENHOCHRTBXNEX-OAHLLOKOSA-N 1 0 290.367 1.074 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261818654 140394278 /nfs/dbraw/zinc/39/42/78/140394278.db2.gz TWRXIJAOVUJKLU-GHMZBOCLSA-N 1 0 275.308 1.276 20 5 CDBDRO C[C@@H](C[NH3+])C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000262557135 140429564 /nfs/dbraw/zinc/42/95/64/140429564.db2.gz PTFYKNFCPMYVNW-VIFPVBQESA-N 1 0 265.313 1.541 20 5 CDBDRO Nc1ccc(C(=O)N2CCCC[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000285868184 397735322 /nfs/dbraw/zinc/73/53/22/397735322.db2.gz BIBGUNAGUALHNI-LLVKDONJSA-N 1 0 292.339 1.521 20 5 CDBDRO COC(=O)[C@H](C)C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000050069483 398100047 /nfs/dbraw/zinc/10/00/47/398100047.db2.gz RWVGSAOSACBMDQ-LLVKDONJSA-N 1 0 280.324 1.878 20 5 CDBDRO Cc1ccc(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1[N+](=O)[O-] ZINC000094564530 147091577 /nfs/dbraw/zinc/09/15/77/147091577.db2.gz SYBQUZKFQPSAHE-PWSUYJOCSA-N 1 0 279.296 1.348 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178585806 148065824 /nfs/dbraw/zinc/06/58/24/148065824.db2.gz UWBOJHQETOBLOS-SECBINFHSA-N 1 0 279.296 1.024 20 5 CDBDRO Cc1cc(NC[C@H]2C[NH2+]CCO2)c(F)cc1[N+](=O)[O-] ZINC000261606213 148979714 /nfs/dbraw/zinc/97/97/14/148979714.db2.gz RMHMNTDBTOGUCZ-SECBINFHSA-N 1 0 269.276 1.443 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000311719749 149218273 /nfs/dbraw/zinc/21/82/73/149218273.db2.gz OXOHSVZOWANXLO-QMMMGPOBSA-N 1 0 269.276 1.591 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH+](C)C ZINC000346183418 153088544 /nfs/dbraw/zinc/08/85/44/153088544.db2.gz CVZBHKDVDBNSFH-VIFPVBQESA-N 1 0 281.312 1.283 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000347044544 153390658 /nfs/dbraw/zinc/39/06/58/153390658.db2.gz NENBZZAHHAVOKC-ZDUSSCGKSA-N 1 0 263.341 1.945 20 5 CDBDRO Cn1cncc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348932663 154010201 /nfs/dbraw/zinc/01/02/01/154010201.db2.gz FUNAAWFIEURPMA-UHFFFAOYSA-N 1 0 275.312 1.294 20 5 CDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@@H+]1CCC[C@H](C)C1 ZINC000349878279 154253952 /nfs/dbraw/zinc/25/39/52/154253952.db2.gz VQJJXICXZXLEFH-UWVGGRQHSA-N 1 0 295.343 1.168 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000349932856 154275331 /nfs/dbraw/zinc/27/53/31/154275331.db2.gz DEKNTGXWHOMMAU-SNVBAGLBSA-N 1 0 281.312 1.217 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@]1(CO)CCOC1 ZINC000350222008 154350524 /nfs/dbraw/zinc/35/05/24/154350524.db2.gz IGLVXPRHQKAPMT-MFBWXBCUSA-N 1 0 278.308 1.349 20 5 CDBDRO CC[N@H+](C[C@H](C)O)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000352230843 155043230 /nfs/dbraw/zinc/04/32/30/155043230.db2.gz MLBXSSDAYIXIAO-WDEREUQCSA-N 1 0 295.339 1.625 20 5 CDBDRO CN(Cc1c([N+](=O)[O-])ncn1C)C[C@@H]1CCC[N@H+](C)C1 ZINC000355331444 156984884 /nfs/dbraw/zinc/98/48/84/156984884.db2.gz FPGLSCBIUWNRGI-LLVKDONJSA-N 1 0 281.360 1.102 20 5 CDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[NH2+]CC1 ZINC000368720869 159701968 /nfs/dbraw/zinc/70/19/68/159701968.db2.gz BREGWOIJYNGQGL-NSHDSACASA-N 1 0 293.323 1.232 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000372426183 160119865 /nfs/dbraw/zinc/11/98/65/160119865.db2.gz LHNNHDSWRNFUFF-SNVBAGLBSA-N 1 0 293.323 1.475 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC000373277107 160188488 /nfs/dbraw/zinc/18/84/88/160188488.db2.gz FQDUYMVLTLEVAD-HNNXBMFYSA-N 1 0 292.335 1.820 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCCC23CCOCC3)c1 ZINC000373865979 160232753 /nfs/dbraw/zinc/23/27/53/160232753.db2.gz LIHPOQPPVQZZCL-CYBMUJFWSA-N 1 0 294.355 1.730 20 5 CDBDRO CO[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000374690623 160308054 /nfs/dbraw/zinc/30/80/54/160308054.db2.gz APXJIVPKBPJZRD-LBPRGKRZSA-N 1 0 268.317 1.292 20 5 CDBDRO C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285358711 196259925 /nfs/dbraw/zinc/25/99/25/196259925.db2.gz VNLNWWJZTWPLQC-GWNMQOMSSA-N 1 0 297.380 1.739 20 5 CDBDRO CC(C)(C)NC(=O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037489028 173230748 /nfs/dbraw/zinc/23/07/48/173230748.db2.gz NTLMOXBDRVSNAW-UHFFFAOYSA-N 1 0 265.313 1.599 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CC1CC[NH2+]CC1 ZINC000038075819 174086210 /nfs/dbraw/zinc/08/62/10/174086210.db2.gz BMVQZJFTBSFEBG-UHFFFAOYSA-N 1 0 291.351 1.943 20 5 CDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000044492298 175181048 /nfs/dbraw/zinc/18/10/48/175181048.db2.gz LJQNLNQOPIHODP-JTQLQIEISA-N 1 0 263.297 1.467 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000044528469 175193176 /nfs/dbraw/zinc/19/31/76/175193176.db2.gz WRQLHLAMNSEUQD-LBPRGKRZSA-N 1 0 277.324 1.335 20 5 CDBDRO CNC(=O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000044989131 175285880 /nfs/dbraw/zinc/28/58/80/175285880.db2.gz DPVQUIOFVFBZGI-SECBINFHSA-N 1 0 251.286 1.382 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000070575587 175990831 /nfs/dbraw/zinc/99/08/31/175990831.db2.gz JYAZGRJQOGSIOW-VXGBXAGGSA-N 1 0 277.324 1.729 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[NH2+]C1 ZINC000071397177 176150776 /nfs/dbraw/zinc/15/07/76/176150776.db2.gz CQMPYGPIRHNASX-NSHDSACASA-N 1 0 263.297 1.006 20 5 CDBDRO Cc1ccc(C(=O)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000071397087 176150951 /nfs/dbraw/zinc/15/09/51/176150951.db2.gz BQVSTLXZQGHLSX-NSHDSACASA-N 1 0 263.297 1.385 20 5 CDBDRO NC(=O)[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000071950982 176303875 /nfs/dbraw/zinc/30/38/75/176303875.db2.gz DKALRPOWYMYESM-ZDUSSCGKSA-N 1 0 277.324 1.477 20 5 CDBDRO Cc1nn(C)c(NC[C@@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000072274826 176356134 /nfs/dbraw/zinc/35/61/34/176356134.db2.gz HNZNDCCXAWOGBO-JTQLQIEISA-N 1 0 293.327 1.945 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@@H]2CO)c1 ZINC000077761533 177299921 /nfs/dbraw/zinc/29/99/21/177299921.db2.gz VBLPZGAJQHEGCD-CYBMUJFWSA-N 1 0 280.324 1.820 20 5 CDBDRO Cc1c(CNC(=O)NC[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000418085396 228020069 /nfs/dbraw/zinc/02/00/69/228020069.db2.gz XYDCWGJQQHDFEP-GFCCVEGCSA-N 1 0 292.339 1.454 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[NH2+]CCN2C)c1 ZINC000394735211 270338758 /nfs/dbraw/zinc/33/87/58/270338758.db2.gz IXWOXQMTRZOJER-LLVKDONJSA-N 1 0 264.329 1.219 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000519529535 265456206 /nfs/dbraw/zinc/45/62/06/265456206.db2.gz FIUVFPKTJQRLBQ-CMPLNLGQSA-N 1 0 292.339 1.474 20 5 CDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000520348285 265775764 /nfs/dbraw/zinc/77/57/64/265775764.db2.gz OOGZDGJEAFKTBU-LLVKDONJSA-N 1 0 294.355 1.538 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000313269974 270324650 /nfs/dbraw/zinc/32/46/50/270324650.db2.gz AOHZWMGGUYXBNO-RKVAAYGKSA-N 1 0 289.335 1.946 20 5 CDBDRO C[NH2+]C1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000315074840 270326128 /nfs/dbraw/zinc/32/61/28/270326128.db2.gz MHPVAMNDRPQXIC-WAYWQWQTSA-N 1 0 289.335 1.818 20 5 CDBDRO C[NH+](C)C1CN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000271734261 273792655 /nfs/dbraw/zinc/79/26/55/273792655.db2.gz NZFJDPKCBMELMA-UHFFFAOYSA-N 1 0 272.308 1.893 20 5 CDBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000362808300 274336527 /nfs/dbraw/zinc/33/65/27/274336527.db2.gz ZFZCDIWLXMULEX-PWSUYJOCSA-N 1 0 289.335 1.682 20 5 CDBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000362808301 274338437 /nfs/dbraw/zinc/33/84/37/274338437.db2.gz ZFZCDIWLXMULEX-ZYHUDNBSSA-N 1 0 289.335 1.682 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H]1C[NH3+] ZINC000070176313 274554298 /nfs/dbraw/zinc/55/42/98/274554298.db2.gz KZXZVUNTYHMAFD-KWQFWETISA-N 1 0 266.301 1.122 20 5 CDBDRO Cc1nc(N[C@H]2CCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000124144128 274844478 /nfs/dbraw/zinc/84/44/78/274844478.db2.gz UTPGYWHFAHOBPY-ZJUUUORDSA-N 1 0 250.302 1.838 20 5 CDBDRO [NH3+][C@H]1CCCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000104267339 274962174 /nfs/dbraw/zinc/96/21/74/274962174.db2.gz GREJBGPOKXNIER-ZETCQYMHSA-N 1 0 267.314 1.232 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261637807 275039752 /nfs/dbraw/zinc/03/97/52/275039752.db2.gz IKANUDMBBQNEPL-AWEZNQCLSA-N 1 0 290.367 1.074 20 5 CDBDRO CC(C)c1n[nH]c(C(=O)N[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000287221206 276041681 /nfs/dbraw/zinc/04/16/81/276041681.db2.gz OPNDNTDMUQXGNR-QMMMGPOBSA-N 1 0 283.332 1.121 20 5 CDBDRO CC[N@@H+]1CCCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000342208132 276165090 /nfs/dbraw/zinc/16/50/90/276165090.db2.gz QBLRLKIWPTVDIQ-UHFFFAOYSA-N 1 0 292.339 1.226 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000122643120 277285218 /nfs/dbraw/zinc/28/52/18/277285218.db2.gz YWFUFVYYMMDVEX-GFCCVEGCSA-N 1 0 263.297 1.419 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000155928918 277938171 /nfs/dbraw/zinc/93/81/71/277938171.db2.gz IVFRKOPLJLAVBO-KOLCDFICSA-N 1 0 265.313 1.777 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000163346861 278318394 /nfs/dbraw/zinc/31/83/94/278318394.db2.gz XBTDVPAESAMTIH-ZJUUUORDSA-N 1 0 263.297 1.404 20 5 CDBDRO C[C@@H](Nc1c([N+](=O)[O-])ncn1C)[C@@H]1CCC[NH2+]C1 ZINC000106402524 278389551 /nfs/dbraw/zinc/38/95/51/278389551.db2.gz MFRPMHMKOTWVDJ-RKDXNWHRSA-N 1 0 253.306 1.128 20 5 CDBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000191667162 279239188 /nfs/dbraw/zinc/23/91/88/279239188.db2.gz HMQHFEOBNZHEEA-AWEZNQCLSA-N 1 0 296.371 1.664 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000423612817 279516256 /nfs/dbraw/zinc/51/62/56/279516256.db2.gz UWKXIIIAEDIGJT-SECBINFHSA-N 1 0 281.312 1.331 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000089090990 279641563 /nfs/dbraw/zinc/64/15/63/279641563.db2.gz CTWUXGLWUOZLQB-ONGXEEELSA-N 1 0 263.297 1.452 20 5 CDBDRO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000226775143 280102123 /nfs/dbraw/zinc/10/21/23/280102123.db2.gz QGPLRCWKRCOMGW-HTQZYQBOSA-N 1 0 256.331 1.946 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000235344146 280126784 /nfs/dbraw/zinc/12/67/84/280126784.db2.gz COYXXJWXDDQWIC-ZUOHBJSBSA-N 1 0 275.308 1.414 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000237463406 280176276 /nfs/dbraw/zinc/17/62/76/280176276.db2.gz FXCGQXOZYKOYLR-RXNUUUNCSA-N 1 0 293.298 1.567 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000261605283 280533776 /nfs/dbraw/zinc/53/37/76/280533776.db2.gz RHKSUHKZRGLXTJ-CPCISQLKSA-N 1 0 267.260 1.296 20 5 CDBDRO Cc1cc(N2CCCC[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000092027577 280549390 /nfs/dbraw/zinc/54/93/90/280549390.db2.gz YUHSBQKAGWKHTL-JTQLQIEISA-N 1 0 250.302 1.616 20 5 CDBDRO Cc1cc(N2CCC[C@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000092027574 280554291 /nfs/dbraw/zinc/55/42/91/280554291.db2.gz NDJUGMAAIHNZOU-SNVBAGLBSA-N 1 0 250.302 1.473 20 5 CDBDRO C[NH+](C)C1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000301057619 280594983 /nfs/dbraw/zinc/59/49/83/280594983.db2.gz APZMGATYZSEGPH-UHFFFAOYSA-N 1 0 295.368 1.834 20 5 CDBDRO Cc1c(CC(=O)NCC[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000423582767 280756527 /nfs/dbraw/zinc/75/65/27/280756527.db2.gz HQMLRMSTUFZCQY-CYBMUJFWSA-N 1 0 291.351 1.704 20 5 CDBDRO CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H](C[NH3+])C1CC1 ZINC000159898844 292772916 /nfs/dbraw/zinc/77/29/16/292772916.db2.gz OYRBDGZWTRQIHI-MDDUGHTDSA-N 1 0 289.335 1.804 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CC(N)=O ZINC000551679787 290012144 /nfs/dbraw/zinc/01/21/44/290012144.db2.gz CANFISBQHBNVEA-VHSXEESVSA-N 1 0 265.313 1.818 20 5 CDBDRO C[C@H](F)CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000560468983 290492545 /nfs/dbraw/zinc/49/25/45/290492545.db2.gz VIWKRVBQKRRWPM-NSHDSACASA-N 1 0 282.319 1.860 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000563169030 293296909 /nfs/dbraw/zinc/29/69/09/293296909.db2.gz CXTIBQFAUBJJEX-JGVFFNPUSA-N 1 0 266.301 1.033 20 5 CDBDRO CC1(C)C[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000568384515 294025139 /nfs/dbraw/zinc/02/51/39/294025139.db2.gz KOQICGMEEGQNBD-MFKMUULPSA-N 1 0 280.324 1.723 20 5 CDBDRO C[C@H](O)C[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000572404373 294616773 /nfs/dbraw/zinc/61/67/73/294616773.db2.gz ILVFOSIKVJGDLG-GVXVVHGQSA-N 1 0 298.339 1.084 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000420257314 301204861 /nfs/dbraw/zinc/20/48/61/301204861.db2.gz JWUSUKGEXNDASW-NWDGAFQWSA-N 1 0 276.340 1.652 20 5 CDBDRO COc1cccc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000566210875 316515795 /nfs/dbraw/zinc/51/57/95/316515795.db2.gz DRJYRSJLVWUHJZ-NXEZZACHSA-N 1 0 293.323 1.461 20 5 CDBDRO CC[C@@H]1C[C@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000577366250 317314550 /nfs/dbraw/zinc/31/45/50/317314550.db2.gz QAIBKPUJGBLPDU-AGIUHOORSA-N 1 0 294.351 1.970 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000577391535 317323179 /nfs/dbraw/zinc/32/31/79/317323179.db2.gz PHCMIKQCQJZFDT-ZWNOBZJWSA-N 1 0 293.323 1.088 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000388670265 323794092 /nfs/dbraw/zinc/79/40/92/323794092.db2.gz BOOVBYDBXGRNSA-SNVBAGLBSA-N 1 0 265.313 1.381 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000579351433 324163939 /nfs/dbraw/zinc/16/39/39/324163939.db2.gz VTVREKNMNPRAEB-VIFPVBQESA-N 1 0 286.291 1.316 20 5 CDBDRO COC[C@](C)(O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000583316042 325149885 /nfs/dbraw/zinc/14/98/85/325149885.db2.gz QMAXINUNRCPAIH-LSDHHAIUSA-N 1 0 294.351 1.959 20 5 CDBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC1 ZINC000228959844 1161026112 /nfs/dbraw/zinc/02/61/12/1161026112.db2.gz FSWJWDDATIIWPS-NXEZZACHSA-N 1 0 277.324 1.913 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(NC2(C)CC[NH2+]CC2)n1 ZINC001157401298 1162062883 /nfs/dbraw/zinc/06/28/83/1162062883.db2.gz BYSKWUQVBTXYIR-UHFFFAOYSA-N 1 0 281.316 1.256 20 5 CDBDRO CC(C)[N@H+](C)CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000049400101 519612596 /nfs/dbraw/zinc/61/25/96/519612596.db2.gz ZPNQRIHTYJSHEE-UHFFFAOYSA-N 1 0 265.313 1.551 20 5 CDBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000236618277 519817794 /nfs/dbraw/zinc/81/77/94/519817794.db2.gz JDXPMWQIRCCAMY-LLVKDONJSA-N 1 0 294.355 1.622 20 5 CDBDRO C[NH+](C)CCN(c1ncc([N+](=O)[O-])c(N)n1)C1CCCC1 ZINC000339968134 521756054 /nfs/dbraw/zinc/75/60/54/521756054.db2.gz RORBZXIHOBPVAZ-UHFFFAOYSA-N 1 0 294.359 1.108 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000157425039 521993357 /nfs/dbraw/zinc/99/33/57/521993357.db2.gz WNTSIWOQWFSMCI-UHFFFAOYSA-N 1 0 285.731 1.930 20 5 CDBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000234918970 522137734 /nfs/dbraw/zinc/13/77/34/522137734.db2.gz BTACUARCJCWEEB-MWLCHTKSSA-N 1 0 293.323 1.474 20 5 CDBDRO COc1ccc(C(=O)NCC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000063170332 523701525 /nfs/dbraw/zinc/70/15/25/523701525.db2.gz GUNJRVWZWFEUQM-QMMMGPOBSA-N 1 0 267.285 1.071 20 5 CDBDRO CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000058233629 523773871 /nfs/dbraw/zinc/77/38/71/523773871.db2.gz NXDCILLTBOLIBV-GFUIURDCSA-N 1 0 275.308 1.428 20 5 CDBDRO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1C[NH3+] ZINC000163526368 524270121 /nfs/dbraw/zinc/27/01/21/524270121.db2.gz PSULRNUGEOLMKM-DTWKUNHWSA-N 1 0 283.353 1.713 20 5 CDBDRO C[C@@H](O)[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000183212834 525853099 /nfs/dbraw/zinc/85/30/99/525853099.db2.gz SXGURKCDJVPVLM-VXGBXAGGSA-N 1 0 280.324 1.676 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[NH2+]CC1 ZINC000061270845 526078269 /nfs/dbraw/zinc/07/82/69/526078269.db2.gz HTOLOXYMQGUCLN-UHFFFAOYSA-N 1 0 292.339 1.137 20 5 CDBDRO CC(C)C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000173573545 527944042 /nfs/dbraw/zinc/94/40/42/527944042.db2.gz QIOGGGUGUFMURM-CYBMUJFWSA-N 1 0 284.360 1.519 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000261760849 535969054 /nfs/dbraw/zinc/96/90/54/535969054.db2.gz NRJHYBMIRKFJLC-ONGXEEELSA-N 1 0 281.360 1.541 20 5 CDBDRO COCCO[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000189654479 536583558 /nfs/dbraw/zinc/58/35/58/536583558.db2.gz NBHIUXGZGNMIEB-AWEZNQCLSA-N 1 0 280.324 1.832 20 5 CDBDRO C[C@@H]([NH2+][C@@H](CO)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000763069020 576708054 /nfs/dbraw/zinc/70/80/54/576708054.db2.gz NZCCAQSQSABUSO-SKDRFNHKSA-N 1 0 293.323 1.282 20 5 CDBDRO C[NH2+]CCN(C)C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000892536297 617485538 /nfs/dbraw/zinc/48/55/38/617485538.db2.gz CYKLPTMZGYUVNO-UHFFFAOYSA-N 1 0 280.328 1.264 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CC[NH+](C2CCCC2)CC1 ZINC000891718635 617553303 /nfs/dbraw/zinc/55/33/03/617553303.db2.gz RFAHMLDHPZBMFV-UHFFFAOYSA-N 1 0 279.344 1.393 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000931038847 617585424 /nfs/dbraw/zinc/58/54/24/617585424.db2.gz MMIUOCOAKYKJBC-BYCMXARLSA-N 1 0 293.367 1.653 20 5 CDBDRO CC[NH+](CC)C[C@H]1CCN(c2c([N+](=O)[O-])cnn2C)C1 ZINC000892723939 617656540 /nfs/dbraw/zinc/65/65/40/617656540.db2.gz PLGGWSBVLNARQA-LLVKDONJSA-N 1 0 281.360 1.496 20 5 CDBDRO COc1c(O)ccc(C[N@@H+]2CC[C@H](CO)C2)c1[N+](=O)[O-] ZINC000891871156 617697318 /nfs/dbraw/zinc/69/73/18/617697318.db2.gz UYZRFNNGJUKYKO-VIFPVBQESA-N 1 0 282.296 1.123 20 5 CDBDRO COc1c(O)ccc(CN[C@@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000892762585 617709580 /nfs/dbraw/zinc/70/95/80/617709580.db2.gz FUMNYBPMNXQUEA-JTQLQIEISA-N 1 0 297.355 1.739 20 5 CDBDRO CN(CC[NH+](C)C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000892777833 617740938 /nfs/dbraw/zinc/74/09/38/617740938.db2.gz TWKPVKOVMMZICS-UHFFFAOYSA-N 1 0 268.273 1.501 20 5 CDBDRO CNC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934043507 617867156 /nfs/dbraw/zinc/86/71/56/617867156.db2.gz KYXSHAYQSANWRG-UHFFFAOYSA-N 1 0 293.327 1.098 20 5 CDBDRO CC(=O)OC[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000892937749 617930565 /nfs/dbraw/zinc/93/05/65/617930565.db2.gz VIPHOIWMFUBKJD-JTQLQIEISA-N 1 0 266.297 1.679 20 5 CDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1c([N+](=O)[O-])cnn1C ZINC000893828439 618081577 /nfs/dbraw/zinc/08/15/77/618081577.db2.gz LKWIBUAICCQWBS-MNOVXSKESA-N 1 0 279.344 1.391 20 5 CDBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1c([N+](=O)[O-])cnn1C ZINC000894574267 618970653 /nfs/dbraw/zinc/97/06/53/618970653.db2.gz COVSWWJRWTZYTA-LLVKDONJSA-N 1 0 281.360 1.861 20 5 CDBDRO C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1F ZINC000928560936 619383183 /nfs/dbraw/zinc/38/31/83/619383183.db2.gz WLDYXRFAXRZTAA-ONGXEEELSA-N 1 0 295.314 1.658 20 5 CDBDRO C[C@@H](NC(=O)NC[C@H]1CC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925251534 620627358 /nfs/dbraw/zinc/62/73/58/620627358.db2.gz DBUMYILOHZTTFF-ZWNOBZJWSA-N 1 0 292.339 1.659 20 5 CDBDRO COc1cccc(CC[NH2+]CC[N+](=O)[O-])c1OC ZINC000899871134 622496792 /nfs/dbraw/zinc/49/67/92/622496792.db2.gz OROGLXVTHGPFAT-UHFFFAOYSA-N 1 0 254.286 1.113 20 5 CDBDRO CCOC(=O)[C@@H]1CCN(Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000902422956 624792084 /nfs/dbraw/zinc/79/20/84/624792084.db2.gz HLTMPMCJDFFDMN-LLVKDONJSA-N 1 0 296.327 1.251 20 5 CDBDRO [NH3+][C@@]1(CO)CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000904402879 626281980 /nfs/dbraw/zinc/28/19/80/626281980.db2.gz VLMFWAKTGLEDKE-ZDUSSCGKSA-N 1 0 299.758 1.534 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCCN1CCN(c2ccccc2)CC1 ZINC000905033130 626376211 /nfs/dbraw/zinc/37/62/11/626376211.db2.gz BUYIOFTXJCEAJY-UHFFFAOYSA-N 1 0 292.383 1.065 20 5 CDBDRO CC[NH+](CC)[C@@H](CNCC[N+](=O)[O-])Cc1ccccc1 ZINC000905034424 626377201 /nfs/dbraw/zinc/37/72/01/626377201.db2.gz LBCPOTPCTPJWNP-OAHLLOKOSA-N 1 0 279.384 1.806 20 5 CDBDRO Cc1ccc([C@H](CNCC[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000905073523 626617548 /nfs/dbraw/zinc/61/75/48/626617548.db2.gz DENMSIVVUJNGMB-HNNXBMFYSA-N 1 0 277.368 1.998 20 5 CDBDRO CCO[C@@H]1C[C@H]([NH2+]CC[N+](=O)[O-])[C@H]1Oc1ccccc1 ZINC000905216814 626696485 /nfs/dbraw/zinc/69/64/85/626696485.db2.gz HSQHSNISWAYLLH-BFHYXJOUSA-N 1 0 280.324 1.478 20 5 CDBDRO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]CC[N+](=O)[O-] ZINC000905363830 626783761 /nfs/dbraw/zinc/78/37/61/626783761.db2.gz GUKRPHQJLPFQIZ-BXKDBHETSA-N 1 0 256.277 1.504 20 5 CDBDRO O=[N+]([O-])CCNCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000905366078 626785390 /nfs/dbraw/zinc/78/53/90/626785390.db2.gz FNHQTTAHCCJGTL-OAHLLOKOSA-N 1 0 293.367 1.010 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C/C=C\Cl)c1 ZINC000905708738 626935384 /nfs/dbraw/zinc/93/53/84/626935384.db2.gz SNTZLRMNGHKYSX-SROOVFNMSA-N 1 0 286.715 1.677 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[NH2+]CC1 ZINC000911656252 629401849 /nfs/dbraw/zinc/40/18/49/629401849.db2.gz LYDFVLDTAXWRHE-UHFFFAOYSA-N 1 0 295.364 1.752 20 5 CDBDRO C[NH2+]CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911748613 629466517 /nfs/dbraw/zinc/46/65/17/629466517.db2.gz OUSJWZRUBHOZAZ-NEPJUHHUSA-N 1 0 263.297 1.034 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH3+] ZINC000911847531 629587209 /nfs/dbraw/zinc/58/72/09/629587209.db2.gz YWGMZTLJLABNPO-UHFFFAOYSA-N 1 0 283.353 1.784 20 5 CDBDRO C[C@@H]1C[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000912183488 629834714 /nfs/dbraw/zinc/83/47/14/629834714.db2.gz NKTJSVAPRPRSHC-ZYHUDNBSSA-N 1 0 289.335 1.872 20 5 CDBDRO CC(C)(C[NH3+])CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000912183859 629835534 /nfs/dbraw/zinc/83/55/34/629835534.db2.gz QQKFWBKCNXCQDO-UHFFFAOYSA-N 1 0 277.324 1.859 20 5 CDBDRO CCOC(=O)c1cc(NCC2C[NH+](C)C2)ccc1[N+](=O)[O-] ZINC001170259296 1162321364 /nfs/dbraw/zinc/32/13/64/1162321364.db2.gz UNVMRLLYRBFEJN-UHFFFAOYSA-N 1 0 293.323 1.745 20 5 CDBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc([N+](=O)[O-])cn2)O1 ZINC001170270674 1162322721 /nfs/dbraw/zinc/32/27/21/1162322721.db2.gz NKDCMMRMHVEWGW-WZRBSPASSA-N 1 0 296.327 1.127 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]CC[C@H](C)O)c([N+](=O)[O-])c1 ZINC001170317197 1162336170 /nfs/dbraw/zinc/33/61/70/1162336170.db2.gz BQTQCMHEGVALIA-QWRGUYRKSA-N 1 0 282.340 1.895 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)CF)c([N+](=O)[O-])c1 ZINC001170326393 1162337478 /nfs/dbraw/zinc/33/74/78/1162337478.db2.gz IRSQNHJDAJGOJF-MWLCHTKSSA-N 1 0 286.303 1.454 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCO2)c([N+](=O)[O-])c1 ZINC001170307474 1162340164 /nfs/dbraw/zinc/34/01/64/1162340164.db2.gz GENYZHGDPNEGAL-GWCFXTLKSA-N 1 0 280.324 1.913 20 5 CDBDRO [NH3+]C[C@]1(F)CCN(c2cc(Cl)ncc2[N+](=O)[O-])C1 ZINC001157812872 1162444127 /nfs/dbraw/zinc/44/41/27/1162444127.db2.gz KMKSOACJVUEYOY-SNVBAGLBSA-N 1 0 274.683 1.520 20 5 CDBDRO C[NH2+]CCN(c1ncnc(OC)c1[N+](=O)[O-])C(C)(C)C ZINC001157830173 1162458701 /nfs/dbraw/zinc/45/87/01/1162458701.db2.gz MPGSEOLADYWXJC-UHFFFAOYSA-N 1 0 283.332 1.218 20 5 CDBDRO C[NH2+]Cc1cn(Cc2cc(F)ccc2[N+](=O)[O-])nn1 ZINC000090295743 1158461886 /nfs/dbraw/zinc/46/18/86/1158461886.db2.gz VGFGKYWOOBOFKV-UHFFFAOYSA-N 1 0 265.248 1.093 20 5 CDBDRO C[C@H](Nc1cccc2ncc([N+](=O)[O-])n21)[C@H]1C[NH2+]CCO1 ZINC001170577078 1162996265 /nfs/dbraw/zinc/99/62/65/1162996265.db2.gz XZAHMOMYTYWQHT-VHSXEESVSA-N 1 0 291.311 1.031 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](C)([NH3+])C1 ZINC000405844937 1159298420 /nfs/dbraw/zinc/29/84/20/1159298420.db2.gz UUVHMUXXQLMSOZ-CYBMUJFWSA-N 1 0 263.297 1.467 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1nc(=S)[nH]c2c1CCC2 ZINC001226301329 1160154691 /nfs/dbraw/zinc/15/46/91/1160154691.db2.gz XXKWGKPPKPZFDY-SECBINFHSA-O 1 0 268.406 1.728 20 5 CDBDRO C[C@@H]1COC[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000699781531 1161171961 /nfs/dbraw/zinc/17/19/61/1161171961.db2.gz UBLXWMKLKPBZEE-LDYMZIIASA-N 1 0 254.261 1.858 20 5 CDBDRO Cc1ncn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1CC[NH3+] ZINC001168966592 1161995662 /nfs/dbraw/zinc/99/56/62/1161995662.db2.gz JPVGKXTUQQEERF-GHMZBOCLSA-N 1 0 252.318 1.311 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(Cc3ccco3)CC2)C1 ZINC001169029703 1161997776 /nfs/dbraw/zinc/99/77/76/1161997776.db2.gz VGSHSDMUYAWCIX-ZIAGYGMSSA-N 1 0 293.367 1.843 20 5 CDBDRO C[NH2+]C[C@@H](C)CNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001604892385 1163370385 /nfs/dbraw/zinc/37/03/85/1163370385.db2.gz QCCJVDLQWKYVBU-MRVPVSSYSA-N 1 0 291.315 1.042 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)c2ccccc2F)c1 ZINC000819176657 1164196990 /nfs/dbraw/zinc/19/69/90/1164196990.db2.gz LWMMRNFUFOAIEX-CYBMUJFWSA-N 1 0 294.286 1.254 20 5 CDBDRO Cc1cc(C(=O)NCC2CC[NH2+]CC2)c(N)c([N+](=O)[O-])c1 ZINC000120581312 1164651752 /nfs/dbraw/zinc/65/17/52/1164651752.db2.gz PGSPCDXGGNAFAB-UHFFFAOYSA-N 1 0 292.339 1.215 20 5 CDBDRO CC[N@@H+]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)C[C@H]1C ZINC000865638948 1164674848 /nfs/dbraw/zinc/67/48/48/1164674848.db2.gz JSHZYNVEYBZHBW-SNVBAGLBSA-N 1 0 297.330 1.757 20 5 CDBDRO C[NH2+]C1(CNc2cc(F)c([N+](=O)[O-])cc2CO)CCC1 ZINC000865850096 1164699996 /nfs/dbraw/zinc/69/99/96/1164699996.db2.gz MBMKNUAPJUWGRG-UHFFFAOYSA-N 1 0 283.303 1.780 20 5 CDBDRO C[C@]([NH3+])(C(=O)NCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000867948235 1164886320 /nfs/dbraw/zinc/88/63/20/1164886320.db2.gz QOCVSBKDLBLGCS-CQSZACIVSA-N 1 0 277.324 1.685 20 5 CDBDRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873130979 1165513966 /nfs/dbraw/zinc/51/39/66/1165513966.db2.gz NEFYZLSWJCXZTI-JSGCOSHPSA-N 1 0 282.340 1.515 20 5 CDBDRO CC(C)CNC(=O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668629 1165782909 /nfs/dbraw/zinc/78/29/09/1165782909.db2.gz SCFJOZIRVZEDOG-UHFFFAOYSA-N 1 0 265.313 1.457 20 5 CDBDRO COC(=O)CC(C)(C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000878271680 1166165335 /nfs/dbraw/zinc/16/53/35/1166165335.db2.gz UCPXWSCECBROQG-UHFFFAOYSA-N 1 0 284.316 1.031 20 5 CDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC001575510139 1171187794 /nfs/dbraw/zinc/18/77/94/1171187794.db2.gz GVZQQDSJTQIQFK-LBPRGKRZSA-N 1 0 292.339 1.247 20 5 CDBDRO C[C@]1(CNC(=O)Nc2cccc([N+](=O)[O-])c2)C[NH2+]CCO1 ZINC001576516846 1171444488 /nfs/dbraw/zinc/44/44/88/1171444488.db2.gz UXOWZPUCMIXVMS-CYBMUJFWSA-N 1 0 294.311 1.095 20 5 CDBDRO C[C@H]1CC[C@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C[NH2+]1 ZINC001576659262 1171481342 /nfs/dbraw/zinc/48/13/42/1171481342.db2.gz ICHNBQCWCOMTAG-ONGXEEELSA-N 1 0 295.314 1.533 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001576880978 1171545364 /nfs/dbraw/zinc/54/53/64/1171545364.db2.gz JONQFVMZNHADCO-RKDXNWHRSA-N 1 0 293.298 1.621 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001578607040 1171960812 /nfs/dbraw/zinc/96/08/12/1171960812.db2.gz SEXUBSHHSLTSCC-VIFPVBQESA-N 1 0 282.275 1.560 20 5 CDBDRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC001578644692 1171970544 /nfs/dbraw/zinc/97/05/44/1171970544.db2.gz ILGJSAIAIBEIPL-MFKMUULPSA-N 1 0 295.339 1.367 20 5 CDBDRO C[C@@H](NC(=O)C[NH2+]CC1CC1)c1ccccc1[N+](=O)[O-] ZINC001579410323 1172170298 /nfs/dbraw/zinc/17/02/98/1172170298.db2.gz JHMZUDQKOUZHGI-SNVBAGLBSA-N 1 0 277.324 1.772 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@H]1CC[NH2+]1 ZINC001579642776 1172232159 /nfs/dbraw/zinc/23/21/59/1172232159.db2.gz VMKOPRMJLKFSOH-SNVBAGLBSA-N 1 0 263.297 1.337 20 5 CDBDRO Cc1nc(NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001579864606 1172284974 /nfs/dbraw/zinc/28/49/74/1172284974.db2.gz YRRWTVNQGHLRIU-KCJUWKMLSA-N 1 0 282.275 1.184 20 5 CDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC001580833932 1172551319 /nfs/dbraw/zinc/55/13/19/1172551319.db2.gz WPKQBKZOLHMYEP-UWVGGRQHSA-N 1 0 293.327 1.065 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)N(C[C@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC001580875559 1172558222 /nfs/dbraw/zinc/55/82/22/1172558222.db2.gz MQHRCJKNRYWBJD-CYBMUJFWSA-N 1 0 289.335 1.478 20 5 CDBDRO O=[N+]([O-])c1cccnc1N[C@H]1CC2(C[NH2+]C2)n2ccnc21 ZINC001580875306 1172558254 /nfs/dbraw/zinc/55/82/54/1172558254.db2.gz IIPFSHHOXMVONV-VIFPVBQESA-N 1 0 286.295 1.042 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229099230 1175769638 /nfs/dbraw/zinc/76/96/38/1175769638.db2.gz QBVVPJXHTNCLDN-KOLCDFICSA-N 1 0 281.360 1.541 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193654760 1184599971 /nfs/dbraw/zinc/59/99/71/1184599971.db2.gz YGYTYBVYMDKVFT-JOYOIKCWSA-N 1 0 293.323 1.474 20 5 CDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CO1 ZINC000402054964 1186435612 /nfs/dbraw/zinc/43/56/12/1186435612.db2.gz QXIACBHJSBBLLI-IRUJWGPZSA-N 1 0 266.297 1.395 20 5 CDBDRO CCOc1nc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001164640291 719223060 /nfs/dbraw/zinc/22/30/60/719223060.db2.gz SDXLICSRGKCTRO-QWRGUYRKSA-N 1 0 294.355 1.917 20 5 CDBDRO C[N@@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000153150132 719372056 /nfs/dbraw/zinc/37/20/56/719372056.db2.gz LTKOXILMHHCEGG-QWRGUYRKSA-N 1 0 298.730 1.162 20 5 CDBDRO C[NH2+]C1(CNc2ncc([N+](=O)[O-])cn2)CCCCC1 ZINC000872630203 1165459769 /nfs/dbraw/zinc/45/97/69/1165459769.db2.gz YHLNAKKQYTYRBB-UHFFFAOYSA-N 1 0 265.317 1.719 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000823029108 811873202 /nfs/dbraw/zinc/87/32/02/811873202.db2.gz GYBYQKFZSISTDB-NSHDSACASA-N 1 0 271.361 1.375 20 5 CDBDRO COc1cc(N)c([N+](=O)[O-])cc1C(=O)OCCC[NH+](C)C ZINC000792186968 813333416 /nfs/dbraw/zinc/33/34/16/813333416.db2.gz RGLQDIQBWPBFRE-UHFFFAOYSA-N 1 0 297.311 1.294 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000876807601 805007318 /nfs/dbraw/zinc/00/73/18/805007318.db2.gz HGLKIATVJMGZNU-LLVKDONJSA-N 1 0 293.323 1.011 20 5 CDBDRO Cc1ccc(-c2noc([C@H]3C[NH2+]CCO3)n2)cc1[N+](=O)[O-] ZINC000822722993 805008984 /nfs/dbraw/zinc/00/89/84/805008984.db2.gz MWRXCWCFMQVBCB-LLVKDONJSA-N 1 0 290.279 1.614 20 5 CDBDRO Cc1c(C[NH2+][C@@H](C)[C@@H]2CN(C)CCO2)cccc1[N+](=O)[O-] ZINC000873081731 805025604 /nfs/dbraw/zinc/02/56/04/805025604.db2.gz PHNOZNQAVOWGKI-WFASDCNBSA-N 1 0 293.367 1.712 20 5 CDBDRO CCNC(=O)[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866217331 805037813 /nfs/dbraw/zinc/03/78/13/805037813.db2.gz XLKHAAJROBJRTD-UWVGGRQHSA-N 1 0 297.330 1.779 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865811947 805072759 /nfs/dbraw/zinc/07/27/59/805072759.db2.gz ZQYVNUDTXDMLDS-SNVBAGLBSA-N 1 0 297.330 1.733 20 5 CDBDRO C[C@@H]1COC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000932490845 805175089 /nfs/dbraw/zinc/17/50/89/805175089.db2.gz FOZQRPCAKPQBBY-PRHODGIISA-N 1 0 276.296 1.596 20 5 CDBDRO CC1(C)[C@H]([NH3+])C[C@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886841621 811328940 /nfs/dbraw/zinc/32/89/40/811328940.db2.gz QWPICVCODWZTPW-NXEZZACHSA-N 1 0 250.302 1.205 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000886832326 811364412 /nfs/dbraw/zinc/36/44/12/811364412.db2.gz GMDSDXXTNGSLFE-CYBMUJFWSA-N 1 0 262.313 1.175 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@@H]1CCC[NH2+]1)CC2 ZINC000843494681 811588210 /nfs/dbraw/zinc/58/82/10/811588210.db2.gz MLLOJTBZCHRYDF-LBPRGKRZSA-N 1 0 289.335 1.934 20 5 CDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000819105844 811802983 /nfs/dbraw/zinc/80/29/83/811802983.db2.gz QFBTYKFAZAYKCL-OSAQELSMSA-N 1 0 293.367 1.701 20 5 CDBDRO C[C@@H]1[NH2+]CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000923346546 811870001 /nfs/dbraw/zinc/87/00/01/811870001.db2.gz SGASGRCTCSSLNP-MJVIPROJSA-N 1 0 279.340 1.310 20 5 CDBDRO Nc1c(C(=O)NCCCCCC[NH3+])cccc1[N+](=O)[O-] ZINC000843509964 811887172 /nfs/dbraw/zinc/88/71/72/811887172.db2.gz HWUSOJRWWFVEJO-UHFFFAOYSA-N 1 0 280.328 1.426 20 5 CDBDRO Cc1nn(C)c(-c2nc([C@@H]3CCC[NH2+]C3)no2)c1[N+](=O)[O-] ZINC000842672030 812039480 /nfs/dbraw/zinc/03/94/80/812039480.db2.gz ZXPKZIYDQHEAIX-MRVPVSSYSA-N 1 0 292.299 1.154 20 5 CDBDRO Cc1c(-c2noc([C@@H]3C[NH2+]CCO3)n2)cccc1[N+](=O)[O-] ZINC000843237409 812060332 /nfs/dbraw/zinc/06/03/32/812060332.db2.gz ACDPYDJOTQRVFQ-NSHDSACASA-N 1 0 290.279 1.614 20 5 CDBDRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000313450782 812072146 /nfs/dbraw/zinc/07/21/46/812072146.db2.gz BZQNVAIMGTXDDU-PWSUYJOCSA-N 1 0 277.324 1.742 20 5 CDBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000868091769 812241319 /nfs/dbraw/zinc/24/13/19/812241319.db2.gz MXWGNEHFGOJLSH-IUCAKERBSA-N 1 0 296.714 1.826 20 5 CDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cn1nccc1[N+](=O)[O-] ZINC000795700784 812485503 /nfs/dbraw/zinc/48/55/03/812485503.db2.gz LKJQXWRSSMJOCJ-VXGBXAGGSA-N 1 0 279.344 1.307 20 5 CDBDRO CCN(CC)C(=O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815566388 812555395 /nfs/dbraw/zinc/55/53/95/812555395.db2.gz RXHXSQOAQPSOSG-SNVBAGLBSA-N 1 0 294.355 1.696 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]([NH3+])C2CC2)c1 ZINC000237333679 812826756 /nfs/dbraw/zinc/82/67/56/812826756.db2.gz FDIHQLKVMKUQHU-NSHDSACASA-N 1 0 295.364 1.784 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CC[C@H](O)CC2)c1 ZINC000819375441 812835604 /nfs/dbraw/zinc/83/56/04/812835604.db2.gz QJUHOGQLHVFRJR-MRVWCRGKSA-N 1 0 280.324 1.521 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](C)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819318378 812850982 /nfs/dbraw/zinc/85/09/82/812850982.db2.gz ZJWUZPYRILPZLC-WFASDCNBSA-N 1 0 295.383 1.947 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000094775233 812983488 /nfs/dbraw/zinc/98/34/88/812983488.db2.gz DEUSPTSHSQXATP-QWRGUYRKSA-N 1 0 265.288 1.385 20 5 CDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000110796407 813092034 /nfs/dbraw/zinc/09/20/34/813092034.db2.gz OTZVDWQNQCVKOT-SECBINFHSA-N 1 0 297.742 1.978 20 5 CDBDRO C[NH2+][C@@H](C)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000848428314 813226868 /nfs/dbraw/zinc/22/68/68/813226868.db2.gz BSONXNRYCWPOAX-VIFPVBQESA-N 1 0 263.297 1.400 20 5 CDBDRO CO[C@@H]1CCC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000886026613 813288973 /nfs/dbraw/zinc/28/89/73/813288973.db2.gz ZRTGXXCVVKOJSH-WCQYABFASA-N 1 0 282.344 1.729 20 5 CDBDRO COC[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000793323975 813787972 /nfs/dbraw/zinc/78/79/72/813787972.db2.gz GTGQXFGNIQUZRE-SECBINFHSA-N 1 0 274.704 1.345 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000857108953 813846826 /nfs/dbraw/zinc/84/68/26/813846826.db2.gz STNBNXINBIMPOA-NSHDSACASA-N 1 0 294.355 1.516 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1[N+](=O)[O-] ZINC000843345879 813862530 /nfs/dbraw/zinc/86/25/30/813862530.db2.gz IFNWRBBQZLMHJS-SKDRFNHKSA-N 1 0 295.314 1.852 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)NC2=O)cc1[N+](=O)[O-] ZINC000089751403 813955636 /nfs/dbraw/zinc/95/56/36/813955636.db2.gz NEHHQYOHPSUMKZ-ONGXEEELSA-N 1 0 291.307 1.359 20 5 CDBDRO CC(C)(CCc1nc(C2([NH3+])CCC2)no1)[N+](=O)[O-] ZINC000842621214 814043015 /nfs/dbraw/zinc/04/30/15/814043015.db2.gz ZLKYEIIYVSBBIJ-UHFFFAOYSA-N 1 0 254.290 1.395 20 5 CDBDRO CC(=O)c1cc(NCC[N@H+](C)CCO)ccc1[N+](=O)[O-] ZINC000884825451 814080891 /nfs/dbraw/zinc/08/08/91/814080891.db2.gz XQVFSPQXMDIUCS-UHFFFAOYSA-N 1 0 281.312 1.133 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000261697658 814240084 /nfs/dbraw/zinc/24/00/84/814240084.db2.gz SOPUAQVFQXSWJI-UHFFFAOYSA-N 1 0 285.731 1.978 20 5 CDBDRO CN(CC1CC[NH+](C)CC1)Cn1cc([N+](=O)[O-])cn1 ZINC000103461997 814313259 /nfs/dbraw/zinc/31/32/59/814313259.db2.gz BDEFSDQSPOVDEU-UHFFFAOYSA-N 1 0 267.333 1.022 20 5 CDBDRO [NH3+]CCN(C[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000809735290 814336445 /nfs/dbraw/zinc/33/64/45/814336445.db2.gz ZVOPETYMCPTOIO-GFCCVEGCSA-N 1 0 279.340 1.787 20 5 CDBDRO COC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819216386 814340191 /nfs/dbraw/zinc/34/01/91/814340191.db2.gz FYUFDRVCPAHKEB-CYBMUJFWSA-N 1 0 280.324 1.787 20 5 CDBDRO COC[C@@]1(C)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830530381 814352127 /nfs/dbraw/zinc/35/21/27/814352127.db2.gz ZHKMEFURPFEYRQ-GJZGRUSLSA-N 1 0 294.351 1.987 20 5 CDBDRO CCN(C)C(=O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231885531 814354675 /nfs/dbraw/zinc/35/46/75/814354675.db2.gz PVDXUDQHXNNDPG-UHFFFAOYSA-N 1 0 265.313 1.471 20 5 CDBDRO C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CC[N+](=O)[O-] ZINC000798194973 814428631 /nfs/dbraw/zinc/42/86/31/814428631.db2.gz BSLFMGCOWCEGKH-XTZNXHDOSA-N 1 0 270.354 1.694 20 5 CDBDRO O=C(OCCC[N+](=O)[O-])C1CC[NH+](C2CC2)CC1 ZINC000860918908 814449547 /nfs/dbraw/zinc/44/95/47/814449547.db2.gz RNQFHZUJJPFNEP-UHFFFAOYSA-N 1 0 256.302 1.071 20 5 CDBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1O ZINC000128571181 814483452 /nfs/dbraw/zinc/48/34/52/814483452.db2.gz CVKNLZGNRGIONQ-NEPJUHHUSA-N 1 0 268.288 1.983 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(CO)COC1 ZINC000866309543 814751024 /nfs/dbraw/zinc/75/10/24/814751024.db2.gz PXSBEBLOSKZGMA-JTQLQIEISA-N 1 0 298.314 1.263 20 5 CDBDRO C[C@]1(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000230731209 816822175 /nfs/dbraw/zinc/82/21/75/816822175.db2.gz IQJNXINMRZOIBC-GBXSZLQWSA-N 1 0 275.308 1.476 20 5 CDBDRO CCN(CCO)CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873106635 816832412 /nfs/dbraw/zinc/83/24/12/816832412.db2.gz DBRAVGIKYUIISJ-UHFFFAOYSA-N 1 0 295.383 1.615 20 5 CDBDRO CC[C@@H](CO)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929985568 816970737 /nfs/dbraw/zinc/97/07/37/816970737.db2.gz CAAGVDWZXOTJPA-QWRGUYRKSA-N 1 0 280.328 1.247 20 5 CDBDRO C[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCN1C ZINC000845638843 817067575 /nfs/dbraw/zinc/06/75/75/817067575.db2.gz PEIMUPCEKURNIW-SNVBAGLBSA-N 1 0 295.314 1.439 20 5 CDBDRO O=C(Nc1ccc(F)cc1)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000791055827 817067642 /nfs/dbraw/zinc/06/76/42/817067642.db2.gz ZJTKQJMDGAVWBW-UHFFFAOYSA-N 1 0 295.314 1.753 20 5 CDBDRO C[C@H](CCCCO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843114021 817218486 /nfs/dbraw/zinc/21/84/86/817218486.db2.gz GONNXMITXSUOOQ-BXUZGUMPSA-N 1 0 282.340 1.769 20 5 CDBDRO Cc1cc(C(=O)NC2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000051692616 817226388 /nfs/dbraw/zinc/22/63/88/817226388.db2.gz DFCDCJKLFDAETG-UHFFFAOYSA-N 1 0 277.324 1.903 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923279094 817258019 /nfs/dbraw/zinc/25/80/19/817258019.db2.gz DXCCBIVOJIYMRK-CQDKDKBSSA-N 1 0 293.367 1.830 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCOCCO ZINC000873102174 817275068 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COc1ccccc1[C@@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000929690970 817839134 /nfs/dbraw/zinc/83/91/34/817839134.db2.gz SXSRGGHEPHHHCV-LLVKDONJSA-N 1 0 250.298 1.761 20 5 CDBDRO C[C@@H]([NH2+]C/C=C/CO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850506819 817898772 /nfs/dbraw/zinc/89/87/72/817898772.db2.gz CGQGHSMSZGSHGI-GKQMSVHHSA-N 1 0 251.286 1.376 20 5 CDBDRO C[C@H](OC(=O)[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC001573589683 1167606835 /nfs/dbraw/zinc/60/68/35/1167606835.db2.gz IFDQMXGVJBPOAI-ONGXEEELSA-N 1 0 264.281 1.809 20 5 CDBDRO C[C@@H](C[NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001205106645 913627541 /nfs/dbraw/zinc/62/75/41/913627541.db2.gz ZQEWRLJYQFKIQK-YFKPBYRVSA-N 1 0 267.220 1.241 20 5 CDBDRO C[NH2+]Cc1c(C)nn(-c2ncc([N+](=O)[O-])cc2C)c1C ZINC001167098419 894491630 /nfs/dbraw/zinc/49/16/30/894491630.db2.gz OFCWLMLAJXIRDO-UHFFFAOYSA-N 1 0 275.312 1.820 20 5 CDBDRO CSCCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001123190916 914231141 /nfs/dbraw/zinc/23/11/41/914231141.db2.gz 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CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001118140220 923565845 /nfs/dbraw/zinc/56/58/45/923565845.db2.gz CLTMCAXSBVOWKQ-NXEZZACHSA-N 1 0 292.339 1.459 20 5 CDBDRO [NH3+]CCONc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001164429610 924880287 /nfs/dbraw/zinc/88/02/87/924880287.db2.gz MVZRFFAMPCPDRB-UHFFFAOYSA-N 1 0 265.191 1.916 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@H](C)C[NH+](C)C)n1 ZINC001155917008 927196840 /nfs/dbraw/zinc/19/68/40/927196840.db2.gz SORQYHBSNYZFGU-SSDOTTSWSA-N 1 0 269.305 1.064 20 5 CDBDRO [NH3+][C@H]1CCc2nn(-c3nc(Cl)ccc3[N+](=O)[O-])cc2C1 ZINC001168816168 927448555 /nfs/dbraw/zinc/44/85/55/927448555.db2.gz OURIPROYYKQICR-QMMMGPOBSA-N 1 0 293.714 1.645 20 5 CDBDRO COc1cc(-n2cc3c(n2)CC[C@H]([NH3+])C3)cnc1[N+](=O)[O-] ZINC001168820596 927470840 /nfs/dbraw/zinc/47/08/40/927470840.db2.gz JZVOMHPLJREMOI-VIFPVBQESA-N 1 0 289.295 1.000 20 5 CDBDRO CO[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168977767 927562335 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O=C(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(O)cc1 ZINC001169002317 927606203 /nfs/dbraw/zinc/60/62/03/927606203.db2.gz KQQBQXFWKUCSPO-CMPLNLGQSA-N 1 0 278.308 1.610 20 5 CDBDRO COC1(C)CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169009501 927613696 /nfs/dbraw/zinc/61/36/96/927613696.db2.gz WSQBKNBQLIOPQO-NEPJUHHUSA-N 1 0 256.346 1.933 20 5 CDBDRO C[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@]1(C)O ZINC001169010918 927617332 /nfs/dbraw/zinc/61/73/32/927617332.db2.gz GEAZCCMZVDQICX-MROQNXINSA-N 1 0 256.346 1.525 20 5 CDBDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169013422 927620424 /nfs/dbraw/zinc/62/04/24/927620424.db2.gz UYBICCBBGNKFFC-FVCCEPFGSA-N 1 0 256.346 1.525 20 5 CDBDRO Cc1cnc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)s1 ZINC001168988444 927627359 /nfs/dbraw/zinc/62/73/59/927627359.db2.gz SKMIYADTKHCZEM-VHSXEESVSA-N 1 0 255.343 1.987 20 5 CDBDRO COC(=O)C1(C)CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169033582 927640280 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ZINC001169057427 927675364 /nfs/dbraw/zinc/67/53/64/927675364.db2.gz VFVYEQVOZSLBGD-NWDGAFQWSA-N 1 0 281.356 1.176 20 5 CDBDRO [NH3+]Cc1cnnn1-c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001169310235 927946008 /nfs/dbraw/zinc/94/60/08/927946008.db2.gz RCKCAQRYTYQACB-UHFFFAOYSA-N 1 0 288.189 1.048 20 5 CDBDRO C[NH2+]C[C@@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000853249177 927994707 /nfs/dbraw/zinc/99/47/07/927994707.db2.gz OEJAKMYZFZPKJO-MRVPVSSYSA-N 1 0 257.721 1.946 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1NCC[C@H]1CCC[NH2+]1 ZINC001169562352 928178640 /nfs/dbraw/zinc/17/86/40/928178640.db2.gz BLRUIQCKQKFDSL-SECBINFHSA-N 1 0 265.317 1.586 20 5 CDBDRO C[C@@H](Nc1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000695904514 937270255 /nfs/dbraw/zinc/27/02/55/937270255.db2.gz KJTPAMBUNRLHGD-RISCZKNCSA-N 1 0 278.356 1.641 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N(C)[C@@]2(C)CCC[NH2+]C2)n1 ZINC001156954964 929078558 /nfs/dbraw/zinc/07/85/58/929078558.db2.gz DSFMNQBWIHOXPW-LBPRGKRZSA-N 1 0 265.317 1.272 20 5 CDBDRO COc1cc(C)c([N+](=O)[O-])cc1NC[C@@H]1COCC[NH2+]1 ZINC001170044848 929132896 /nfs/dbraw/zinc/13/28/96/929132896.db2.gz NGRQRQOBVUGYDY-SNVBAGLBSA-N 1 0 281.312 1.312 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCCS(=O)(=O)c1ccccc1 ZINC001206081529 929818212 /nfs/dbraw/zinc/81/82/12/929818212.db2.gz CLBGZSNRWHAZOH-ZDUSSCGKSA-N 1 0 286.417 1.572 20 5 CDBDRO C[C@H](Nc1cc(Cl)ncc1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001159498904 930308886 /nfs/dbraw/zinc/30/88/86/930308886.db2.gz RYVVDTJMOJRQIS-OIBJUYFYSA-N 1 0 286.719 1.432 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CC[NH3+])c1C ZINC000884244714 930496948 /nfs/dbraw/zinc/49/69/48/930496948.db2.gz JZAHUMVQVKMLKF-VIFPVBQESA-N 1 0 265.313 1.679 20 5 CDBDRO CN1CCC[C@@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819059802 930752137 /nfs/dbraw/zinc/75/21/37/930752137.db2.gz IFXJHDNHZHDLPG-KGLIPLIRSA-N 1 0 279.340 1.312 20 5 CDBDRO CC1(C)C[C@H](O)CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886234107 930834964 /nfs/dbraw/zinc/83/49/64/930834964.db2.gz GHZBYCFKITXELG-GFCCVEGCSA-N 1 0 279.340 1.973 20 5 CDBDRO C[NH+](C)CC(C)(C)NCc1cccnc1[N+](=O)[O-] ZINC000886241474 930835214 /nfs/dbraw/zinc/83/52/14/930835214.db2.gz ZRWKZVMXCLHVNX-UHFFFAOYSA-N 1 0 252.318 1.420 20 5 CDBDRO COc1cc(OC[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000111054801 930991120 /nfs/dbraw/zinc/99/11/20/930991120.db2.gz SURRVVRDRLEQJD-JTQLQIEISA-N 1 0 266.297 1.982 20 5 CDBDRO [NH2+]=C(NCc1cccc([N+](=O)[O-])c1)NCC(F)F ZINC000887349938 931066035 /nfs/dbraw/zinc/06/60/35/931066035.db2.gz OQYBYLZWVVQVTG-UHFFFAOYSA-N 1 0 258.228 1.474 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(-n2cc3ccc(C[NH3+])cc3n2)n1 ZINC001171314916 932619130 /nfs/dbraw/zinc/61/91/30/932619130.db2.gz JARTUSFVMMHEQI-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1NC[C@H]1CCCC[NH2+]1 ZINC001171333505 932732320 /nfs/dbraw/zinc/73/23/20/932732320.db2.gz FEFYANMCGHNSAB-SECBINFHSA-N 1 0 266.301 1.552 20 5 CDBDRO COc1cnc(NC[C@]2(F)CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001155115633 937636647 /nfs/dbraw/zinc/63/66/47/937636647.db2.gz AGKDTKZWRPCIAP-ZDUSSCGKSA-N 1 0 298.318 1.892 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)n1 ZINC001155637635 937657117 /nfs/dbraw/zinc/65/71/17/937657117.db2.gz YIVRMGNMSMOZTK-YWVKMMECSA-N 1 0 298.730 1.493 20 5 CDBDRO C[C@@H](NC(=O)N1CC[NH2+][C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001120651553 937822223 /nfs/dbraw/zinc/82/22/23/937822223.db2.gz VMFNCPLDUSCCCU-WDEREUQCSA-N 1 0 292.339 1.659 20 5 CDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCC[NH+](C)C ZINC001120792002 937836262 /nfs/dbraw/zinc/83/62/62/937836262.db2.gz JLOWNAWJWYFCSN-UHFFFAOYSA-N 1 0 280.328 1.318 20 5 CDBDRO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001122321070 937920998 /nfs/dbraw/zinc/92/09/98/937920998.db2.gz SBMDBYGBUUYPAD-IUODEOHRSA-N 1 0 289.335 1.477 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001122598826 937944995 /nfs/dbraw/zinc/94/49/95/937944995.db2.gz BFXHXCAQCWOBJH-LLVKDONJSA-N 1 0 251.286 1.840 20 5 CDBDRO C[N@@H+]1C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001156590999 938390379 /nfs/dbraw/zinc/39/03/79/938390379.db2.gz QWRQCLKAJINBLW-SECBINFHSA-N 1 0 283.353 1.726 20 5 CDBDRO CC(C)[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])n2)C1 ZINC001157009018 938446060 /nfs/dbraw/zinc/44/60/60/938446060.db2.gz DDMWOJYDHRKKCM-NSHDSACASA-N 1 0 264.329 1.909 20 5 CDBDRO Cc1nc(Cl)nc(NC2(C)CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001157397576 938486237 /nfs/dbraw/zinc/48/62/37/938486237.db2.gz SRZDBRAEBGLIMH-UHFFFAOYSA-N 1 0 285.735 1.901 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2C[NH2+]CC[C@H]2F)n1 ZINC001157446214 938493146 /nfs/dbraw/zinc/49/31/46/938493146.db2.gz ZOCBBVCFTINBFB-RQJHMYQMSA-N 1 0 289.698 1.459 20 5 CDBDRO CCOC(=O)CN(CCC[NH3+])c1ccc([N+](=O)[O-])c(C)n1 ZINC001157544112 938507414 /nfs/dbraw/zinc/50/74/14/938507414.db2.gz DRXBJEOGEQIXNC-UHFFFAOYSA-N 1 0 296.327 1.017 20 5 CDBDRO O=[N+]([O-])c1cccc2ccc(N3C[C@@H]4C[NH2+][C@@H]4C3)nc21 ZINC001157619655 938521212 /nfs/dbraw/zinc/52/12/12/938521212.db2.gz DSCAHCDNULMGBG-WDEREUQCSA-N 1 0 270.292 1.551 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCCN1c1nc(Cl)ncc1[N+](=O)[O-] ZINC001157734971 938538087 /nfs/dbraw/zinc/53/80/87/938538087.db2.gz ZVEDIKUCXPPKEB-BQBZGAKWSA-N 1 0 271.708 1.354 20 5 CDBDRO COc1nc(N(C(C)C)[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001158021758 938575418 /nfs/dbraw/zinc/57/54/18/938575418.db2.gz KOVCFIKEFMCMGW-SNVBAGLBSA-N 1 0 280.328 1.575 20 5 CDBDRO COc1cc(NCC23CC[NH+](CC2)CC3)ncc1[N+](=O)[O-] ZINC001158827828 938667253 /nfs/dbraw/zinc/66/72/53/938667253.db2.gz VKLIIQZINGMAPD-UHFFFAOYSA-N 1 0 292.339 1.896 20 5 CDBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)[C@H]1C[NH2+]CCO1 ZINC001159488500 938731671 /nfs/dbraw/zinc/73/16/71/938731671.db2.gz DXCLJCRQNCVQPE-OIBJUYFYSA-N 1 0 286.719 1.432 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(NC[C@@H]2CCCC[NH2+]2)n1 ZINC001160146927 938771403 /nfs/dbraw/zinc/77/14/03/938771403.db2.gz GSIKAGBBSZLBCR-VIFPVBQESA-N 1 0 251.290 1.247 20 5 CDBDRO COC(=O)c1ccc(C[NH3+])n1-c1nccc(C)c1[N+](=O)[O-] ZINC001161935247 938944894 /nfs/dbraw/zinc/94/48/94/938944894.db2.gz UZTXQRLKGOQJGN-UHFFFAOYSA-N 1 0 290.279 1.334 20 5 CDBDRO COc1c(F)cc(-n2cnc(C[NH3+])c2)cc1[N+](=O)[O-] ZINC001162304269 938976664 /nfs/dbraw/zinc/97/66/64/938976664.db2.gz OLEYFQQTEMPRQJ-UHFFFAOYSA-N 1 0 266.232 1.387 20 5 CDBDRO C[N@@H+]1CCC[C@@](C)(Nc2ccc([N+](=O)[O-])c(N)n2)C1 ZINC001162336477 939027755 /nfs/dbraw/zinc/02/77/55/939027755.db2.gz BQCLSTYHPOHPAE-GFCCVEGCSA-N 1 0 265.317 1.468 20 5 CDBDRO C[C@@H]1C[C@@H](CNc2cc([N+](=O)[O-])c3nccn3c2)C[NH2+]1 ZINC001162556729 939086640 /nfs/dbraw/zinc/08/66/40/939086640.db2.gz SITMDBQSTPDJRN-NXEZZACHSA-N 1 0 275.312 1.652 20 5 CDBDRO Nc1ccnc(NC[C@@]2(F)CCCC[NH2+]C2)c1[N+](=O)[O-] ZINC001162579779 939091739 /nfs/dbraw/zinc/09/17/39/939091739.db2.gz JCONVNRTRYGMIH-GFCCVEGCSA-N 1 0 283.307 1.466 20 5 CDBDRO COc1cc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)ncc1[N+](=O)[O-] ZINC001162791290 939141119 /nfs/dbraw/zinc/14/11/19/939141119.db2.gz APUBUQQGEUQBDK-OPRDCNLKSA-N 1 0 276.296 1.184 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3C=C[C@@H]4C[NH2+]C[C@@H]34)c21 ZINC001162801516 939145495 /nfs/dbraw/zinc/14/54/95/939145495.db2.gz JWJLMDYESLUWDS-GMTAPVOTSA-N 1 0 297.318 1.724 20 5 CDBDRO [NH3+]C1(CNc2nc(Cl)ncc2[N+](=O)[O-])CCC1 ZINC001163321404 939246441 /nfs/dbraw/zinc/24/64/41/939246441.db2.gz FTLIRWSFQYEDEC-UHFFFAOYSA-N 1 0 257.681 1.332 20 5 CDBDRO Cc1nc(Cl)nc(N2CC(C)([NH+](C)C)C2)c1[N+](=O)[O-] ZINC001165116683 939511149 /nfs/dbraw/zinc/51/11/49/939511149.db2.gz JACDQRKZHWEHOR-UHFFFAOYSA-N 1 0 285.735 1.487 20 5 CDBDRO COc1nc(N2CC[C@@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001165236570 939531042 /nfs/dbraw/zinc/53/10/42/939531042.db2.gz KZJLSVICHKDHHD-AWEZNQCLSA-N 1 0 292.339 1.578 20 5 CDBDRO O=[N+]([O-])c1ccc2ncc(N3CCC[C@@H]4[NH2+]C[C@@H]43)nc2c1 ZINC001165389223 939556579 /nfs/dbraw/zinc/55/65/79/939556579.db2.gz FRUDZNHTALSSIY-AAEUAGOBSA-N 1 0 285.307 1.479 20 5 CDBDRO O=[N+]([O-])c1cccc(N2CCC(C3C[NH2+]C3)CC2)n1 ZINC001165411394 939560962 /nfs/dbraw/zinc/56/09/62/939560962.db2.gz VKGIXMACMCTWSU-UHFFFAOYSA-N 1 0 262.313 1.426 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001165430392 939563802 /nfs/dbraw/zinc/56/38/02/939563802.db2.gz AHGBYLAVQHTRAD-SCZZXKLOSA-N 1 0 295.318 1.085 20 5 CDBDRO [NH3+]CCc1nccn1-c1nc(Cl)ccc1[N+](=O)[O-] ZINC001166351756 939605085 /nfs/dbraw/zinc/60/50/85/939605085.db2.gz RBFAVXKPCOQIQO-UHFFFAOYSA-N 1 0 267.676 1.330 20 5 CDBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CC[NH2+]C1 ZINC001218181219 941042344 /nfs/dbraw/zinc/04/23/44/941042344.db2.gz DRHMKYGNTDSNGS-JTQLQIEISA-N 1 0 264.281 1.928 20 5 CDBDRO COc1ccnc(CO[C@H](C)C[N+](C)(C)C)c1OC ZINC001223098704 941657578 /nfs/dbraw/zinc/65/75/78/941657578.db2.gz AAWVNMZIJCXACU-LLVKDONJSA-N 1 0 269.365 1.710 20 5 CDBDRO C[C@H](OC(=O)C[C@@H](O)C[N+](C)(C)C)c1ccccc1 ZINC001223447490 941678600 /nfs/dbraw/zinc/67/86/00/941678600.db2.gz DUDQJHVJVQPVDP-GXTWGEPZSA-N 1 0 266.361 1.748 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C)OC[C@@H]1CCC[N@@H+]1C ZINC001224816919 941795535 /nfs/dbraw/zinc/79/55/35/941795535.db2.gz CFYLFNIUZPROBL-JQWIXIFHSA-N 1 0 282.344 1.599 20 5 CDBDRO CC[N@@H+]1CCC[C@H](Oc2ncccc2[N+](=O)[O-])C1 ZINC001225594070 941886710 /nfs/dbraw/zinc/88/67/10/941886710.db2.gz APISZDXHXBAVBU-JTQLQIEISA-N 1 0 251.286 1.853 20 5 CDBDRO CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cn2)CC1 ZINC001225627709 941890781 /nfs/dbraw/zinc/89/07/81/941890781.db2.gz GFICSZLXTHRBAH-UHFFFAOYSA-N 1 0 251.286 1.853 20 5 CDBDRO C[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC001226166989 941961644 /nfs/dbraw/zinc/96/16/44/941961644.db2.gz BMNLGBYDCWRAQE-LLVKDONJSA-N 1 0 293.323 1.557 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1noc2ccccc21 ZINC001226401063 941998316 /nfs/dbraw/zinc/99/83/16/941998316.db2.gz ULAWTMHINNLRRK-SNVBAGLBSA-N 1 0 279.316 1.190 20 5 CDBDRO Cc1nc(Cl)nc(O[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001227334633 942166971 /nfs/dbraw/zinc/16/69/71/942166971.db2.gz NWSXAMDNMBQLAV-MRVPVSSYSA-N 1 0 286.719 1.820 20 5 CDBDRO Cc1cc(O)cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001227472394 942180525 /nfs/dbraw/zinc/18/05/25/942180525.db2.gz UJDHEAHSQLKZFK-GFCCVEGCSA-O 1 0 268.333 1.063 20 5 CDBDRO Cc1nc2ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc2o1 ZINC001228339189 942300521 /nfs/dbraw/zinc/30/05/21/942300521.db2.gz ROQVIDBOSPXFSN-LLVKDONJSA-N 1 0 293.343 1.499 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1[nH]c(=S)nc2[nH]ccc21 ZINC001228528731 942331648 /nfs/dbraw/zinc/33/16/48/942331648.db2.gz LONIYJIBJBZXAX-QMMMGPOBSA-O 1 0 267.378 1.720 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(C)(C)C(N)=O ZINC001254541175 947517549 /nfs/dbraw/zinc/51/75/49/947517549.db2.gz YYPREUFDBYLMMC-VIFPVBQESA-N 1 0 265.313 1.379 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1nccnc1C[NH3+] ZINC001254539615 947518689 /nfs/dbraw/zinc/51/86/89/947518689.db2.gz GAVNXMDSCLBUHR-JTQLQIEISA-N 1 0 287.323 1.887 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CNC(=O)C1(C)C ZINC001254550304 947520054 /nfs/dbraw/zinc/52/00/54/947520054.db2.gz HLVBXKAAOCVTJJ-GWCFXTLKSA-N 1 0 291.351 1.640 20 5 CDBDRO [NH3+]Cc1cn([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001254566464 947526983 /nfs/dbraw/zinc/52/69/83/947526983.db2.gz KIVQXAKUQFDFIZ-CYBMUJFWSA-N 1 0 258.281 1.590 20 5 CDBDRO CO[C@@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1OC ZINC001254597341 947545032 /nfs/dbraw/zinc/54/50/32/947545032.db2.gz HOENBFYRXDVVRW-SOUVJXGZSA-N 1 0 292.335 1.408 20 5 CDBDRO C[C@@H]1CC[C@H](O)C[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600910 947550254 /nfs/dbraw/zinc/55/02/54/947550254.db2.gz WQSDKNJZYQOYIU-KMUNFCNLSA-N 1 0 276.336 1.907 20 5 CDBDRO COc1ccc(C[C@@H](C)N[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246130810 947975046 /nfs/dbraw/zinc/97/50/46/947975046.db2.gz VVQFIRUSHNOWQL-YPMHNXCESA-N 1 0 293.367 1.876 20 5 CDBDRO COc1ccc(C[C@@H](C)N2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001246917551 948517923 /nfs/dbraw/zinc/51/79/23/948517923.db2.gz RMJISMUNEUUQSM-DGCLKSJQSA-N 1 0 293.367 1.958 20 5 CDBDRO [NH3+]C1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CCCC1 ZINC001247501770 948651347 /nfs/dbraw/zinc/65/13/47/948651347.db2.gz LOOKGJLEYKDGJI-UHFFFAOYSA-N 1 0 293.258 1.907 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC001326075533 954206560 /nfs/dbraw/zinc/20/65/60/954206560.db2.gz OEQZXKXSQYAUST-JTQLQIEISA-N 1 0 292.339 1.366 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC001326369612 954343220 /nfs/dbraw/zinc/34/32/20/954343220.db2.gz QQNUTRSFAYRNRT-SECBINFHSA-N 1 0 281.312 1.331 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC001332156503 957456083 /nfs/dbraw/zinc/45/60/83/957456083.db2.gz ILBALKYKDFLKOJ-VIFPVBQESA-N 1 0 278.312 1.057 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC[N+](=O)[O-] ZINC001334683883 959283912 /nfs/dbraw/zinc/28/39/12/959283912.db2.gz DKISRIFFCBDXSZ-UKRRQHHQSA-N 1 0 277.368 1.763 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3[NH2+]C[C@@H]4C[C@@H]43)n2)cc1 ZINC001335381276 959756949 /nfs/dbraw/zinc/75/69/49/959756949.db2.gz JIROYEIQKHTFPZ-INTQDDNPSA-N 1 0 272.264 1.925 20 5 CDBDRO C[C@H](NC(=O)NCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001336703247 960484287 /nfs/dbraw/zinc/48/42/87/960484287.db2.gz JSNUGLPFDZASOD-JTQLQIEISA-N 1 0 292.339 1.707 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC001339037954 962129329 /nfs/dbraw/zinc/12/93/29/962129329.db2.gz PVPFSANUVNYQDH-VIFPVBQESA-N 1 0 267.285 1.402 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)CC[C@@H]21 ZINC001339629616 962456795 /nfs/dbraw/zinc/45/67/95/962456795.db2.gz PFSQVYGDERNHHH-JQWIXIFHSA-N 1 0 291.355 1.493 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[NH3+] ZINC001341103549 963275610 /nfs/dbraw/zinc/27/56/10/963275610.db2.gz OEJQIXXPDQTXCS-UHFFFAOYSA-N 1 0 269.326 1.347 20 5 CDBDRO [NH3+][C@@H]1C[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C12CCC2 ZINC001341654836 963499265 /nfs/dbraw/zinc/49/92/65/963499265.db2.gz DMKBBIFBPKEDAE-MNOVXSKESA-N 1 0 293.298 1.734 20 5 CDBDRO C[C@@H](NC(=O)[C@@]1(C)CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001341738720 963526154 /nfs/dbraw/zinc/52/61/54/963526154.db2.gz CHHRHZOOYCSCIG-YGRLFVJLSA-N 1 0 277.324 1.772 20 5 CDBDRO [NH3+]C1(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC001342932356 963865504 /nfs/dbraw/zinc/86/55/04/963865504.db2.gz OLLMOWVIJLAQKD-UHFFFAOYSA-N 1 0 269.688 1.469 20 5 CDBDRO C[C@@](O)(C[NH2+]CCNc1ccc([N+](=O)[O-])cc1)C(F)F ZINC001346151069 964958003 /nfs/dbraw/zinc/95/80/03/964958003.db2.gz RZGZYBKYWVMBPQ-GFCCVEGCSA-N 1 0 289.282 1.612 20 5 CDBDRO CC(C)([NH3+])CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001349873746 966507683 /nfs/dbraw/zinc/50/76/83/966507683.db2.gz NJIUSSMCHKRDIW-UHFFFAOYSA-N 1 0 279.340 1.771 20 5 CDBDRO C[C@@](O)(C[NH2+]CCNc1ccccc1[N+](=O)[O-])C(F)F ZINC001353272462 967842155 /nfs/dbraw/zinc/84/21/55/967842155.db2.gz JBOSPQKAGXNICR-GFCCVEGCSA-N 1 0 289.282 1.612 20 5 CDBDRO O=C(OCC[NH+]1CCC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001519842583 970117301 /nfs/dbraw/zinc/11/73/01/970117301.db2.gz SWSMQGVZNUZGKD-KBPBESRZSA-N 1 0 290.319 1.947 20 5 CDBDRO Cc1c(C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])cccc1[N+](=O)[O-] ZINC001514529876 976296096 /nfs/dbraw/zinc/29/60/96/976296096.db2.gz KOLKGOFECMOZGA-XHDPSFHLSA-N 1 0 289.335 1.857 20 5 CDBDRO Nc1cc(NCC[NH+]2CCCCCC2)ncc1[N+](=O)[O-] ZINC001515350659 976433264 /nfs/dbraw/zinc/43/32/64/976433264.db2.gz FOYBRCQEESZVMX-UHFFFAOYSA-N 1 0 279.344 1.860 20 5 CDBDRO CN(C[C@H]1CC[NH2+]1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001578456531 1171920043 /nfs/dbraw/zinc/92/00/43/1171920043.db2.gz PIKLUWBGETUNKL-SECBINFHSA-N 1 0 283.715 1.682 20 5 CDBDRO Cc1cc(N2CC[N@@H+](C)C(C)(C)C2)ncc1[N+](=O)[O-] ZINC000601187290 342489426 /nfs/dbraw/zinc/48/94/26/342489426.db2.gz QOOZLWMESGWNBB-UHFFFAOYSA-N 1 0 264.329 1.829 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000618460379 349465069 /nfs/dbraw/zinc/46/50/69/349465069.db2.gz CGNLHVXINSYISR-GFCCVEGCSA-N 1 0 291.351 1.927 20 5 CDBDRO Cc1cc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000320642209 341993857 /nfs/dbraw/zinc/99/38/57/341993857.db2.gz DUWHQCPTSSOBGR-ZJUUUORDSA-N 1 0 265.313 1.759 20 5 CDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601266179 342547092 /nfs/dbraw/zinc/54/70/92/342547092.db2.gz KKYAOYPSOGSCJV-SNVBAGLBSA-N 1 0 295.314 1.806 20 5 CDBDRO O=[N+]([O-])c1cc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000601328884 342554577 /nfs/dbraw/zinc/55/45/77/342554577.db2.gz BMUVQLUURRBWBS-AOOOYVTPSA-N 1 0 253.327 1.593 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@H]([NH3+])C[C@H]1C ZINC000601330387 342554676 /nfs/dbraw/zinc/55/46/76/342554676.db2.gz SNZCONCYBIBXKY-MWLCHTKSSA-N 1 0 265.313 1.525 20 5 CDBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264913158 398201828 /nfs/dbraw/zinc/20/18/28/398201828.db2.gz FWVXWPCROINFGW-VHSXEESVSA-N 1 0 278.312 1.232 20 5 CDBDRO CC[C@]1([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])CCOC1 ZINC000616865618 342568458 /nfs/dbraw/zinc/56/84/58/342568458.db2.gz YFUCNTAZPVYRMW-AWEZNQCLSA-N 1 0 293.323 1.692 20 5 CDBDRO C[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000573189740 361737743 /nfs/dbraw/zinc/73/77/43/361737743.db2.gz VNHRMRDKEZNVNC-SNVBAGLBSA-N 1 0 278.312 1.098 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1([NH3+])CCC1 ZINC000235775525 398230047 /nfs/dbraw/zinc/23/00/47/398230047.db2.gz HZTZUGSXNRSJTM-UHFFFAOYSA-N 1 0 263.297 1.514 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000590567120 342576129 /nfs/dbraw/zinc/57/61/29/342576129.db2.gz XOQSUMKLBJOFDP-BDAKNGLRSA-N 1 0 267.285 1.352 20 5 CDBDRO C[NH+](C)[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1ccco1 ZINC000590570304 342577133 /nfs/dbraw/zinc/57/71/33/342577133.db2.gz ZGAZPGPJMKWXLS-SNVBAGLBSA-N 1 0 291.311 1.302 20 5 CDBDRO [NH3+]CCCCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000070203634 361789439 /nfs/dbraw/zinc/78/94/39/361789439.db2.gz HXRZVZPJWQTSID-UHFFFAOYSA-N 1 0 251.286 1.340 20 5 CDBDRO CO[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000167217795 342073733 /nfs/dbraw/zinc/07/37/33/342073733.db2.gz MWUDQXJUJUXSOZ-WDEREUQCSA-N 1 0 293.323 1.173 20 5 CDBDRO C[C@@]1(O)CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000125008842 187165382 /nfs/dbraw/zinc/16/53/82/187165382.db2.gz NQLATRPDZOIERG-CQSZACIVSA-N 1 0 280.324 1.820 20 5 CDBDRO C[N@@H+]1CC[C@@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000609200908 342095758 /nfs/dbraw/zinc/09/57/58/342095758.db2.gz MWIYOJROCGEHLZ-GFCCVEGCSA-N 1 0 277.324 1.205 20 5 CDBDRO COc1ccc(CNC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591275601 342623859 /nfs/dbraw/zinc/62/38/59/342623859.db2.gz IMYASVPDYGEENY-LBPRGKRZSA-N 1 0 279.340 1.835 20 5 CDBDRO CC1([NH3+])CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000591298943 342624543 /nfs/dbraw/zinc/62/45/43/342624543.db2.gz FYMHCGHPEPTGGT-UHFFFAOYSA-N 1 0 278.312 1.940 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[NH3+] ZINC000591298644 342624581 /nfs/dbraw/zinc/62/45/81/342624581.db2.gz GWGCUCUAPBPBQG-SECBINFHSA-N 1 0 266.301 1.680 20 5 CDBDRO CC[C@@H](NC(=O)NC1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000591354728 342627348 /nfs/dbraw/zinc/62/73/48/342627348.db2.gz SOFJYHVXYOABKK-GFCCVEGCSA-N 1 0 278.312 1.317 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCN2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000591448936 342632934 /nfs/dbraw/zinc/63/29/34/342632934.db2.gz QXBPKGONTZGKGB-IUODEOHRSA-N 1 0 291.351 1.657 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000591442946 342632469 /nfs/dbraw/zinc/63/24/69/342632469.db2.gz WCACRIRQIDBBDH-IUCAKERBSA-N 1 0 266.276 1.175 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(F)c1 ZINC000591442947 342632519 /nfs/dbraw/zinc/63/25/19/342632519.db2.gz WCACRIRQIDBBDH-RKDXNWHRSA-N 1 0 266.276 1.175 20 5 CDBDRO COc1ccc(C[N@H+](CCCO)C2CC2)cc1[N+](=O)[O-] ZINC000404275733 346843761 /nfs/dbraw/zinc/84/37/61/346843761.db2.gz DYCPWOTXCHIOPC-UHFFFAOYSA-N 1 0 280.324 1.950 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CCC[NH3+] ZINC000591678941 342641499 /nfs/dbraw/zinc/64/14/99/342641499.db2.gz KGICCWXVDQJSNA-UHFFFAOYSA-N 1 0 265.313 1.632 20 5 CDBDRO CN(CCC[NH3+])C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000591679296 342641751 /nfs/dbraw/zinc/64/17/51/342641751.db2.gz PWYBFTJWEPRQRT-UHFFFAOYSA-N 1 0 292.339 1.590 20 5 CDBDRO Cc1cc(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000592241428 342680768 /nfs/dbraw/zinc/68/07/68/342680768.db2.gz AZAGCEZQPJHHJD-CQSZACIVSA-N 1 0 291.351 1.973 20 5 CDBDRO CCN(CCC[NH+](C)C)c1ccc(N)c([N+](=O)[O-])n1 ZINC000311554120 342152312 /nfs/dbraw/zinc/15/23/12/342152312.db2.gz QHCLXABQKGIYFB-UHFFFAOYSA-N 1 0 267.333 1.350 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2cnn(CC3C[NH2+]C3)c2)cc1 ZINC000592158771 342670764 /nfs/dbraw/zinc/67/07/64/342670764.db2.gz QRXCWGSEOAKABB-UHFFFAOYSA-N 1 0 258.281 1.678 20 5 CDBDRO COC[C@H]1C[C@@H](O)C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000593674570 342825676 /nfs/dbraw/zinc/82/56/76/342825676.db2.gz YPGCNCQWNMGHQT-IOKDEZFASA-N 1 0 292.335 1.690 20 5 CDBDRO C[C@@H](CO)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594501979 342914480 /nfs/dbraw/zinc/91/44/80/342914480.db2.gz ACGHQCOXOWXLFQ-BXKDBHETSA-N 1 0 250.298 1.800 20 5 CDBDRO CO[C@@H](C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000595069717 343001842 /nfs/dbraw/zinc/00/18/42/343001842.db2.gz QZAXRXJQPRVSLV-TUAOUCFPSA-N 1 0 282.344 1.900 20 5 CDBDRO Cc1ccsc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000091436497 349756417 /nfs/dbraw/zinc/75/64/17/349756417.db2.gz HCCNPZSQIMXBFC-NSHDSACASA-N 1 0 296.352 1.312 20 5 CDBDRO Cc1noc(CN2CCC[C@](C)(O)C2)c1[N+](=O)[O-] ZINC000595410221 343050719 /nfs/dbraw/zinc/05/07/19/343050719.db2.gz WGBCXZHDUVFXDY-NSHDSACASA-N 1 0 255.274 1.238 20 5 CDBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccco1 ZINC000076267153 342321774 /nfs/dbraw/zinc/32/17/74/342321774.db2.gz BLBPWQIZOHENQL-MRVPVSSYSA-N 1 0 292.299 1.275 20 5 CDBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000595678075 343129711 /nfs/dbraw/zinc/12/97/11/343129711.db2.gz QFKULKBFIDOATH-NWDGAFQWSA-N 1 0 282.344 1.274 20 5 CDBDRO Cc1c(C[N@H+](C)C[C@@H]2COCCO2)cccc1[N+](=O)[O-] ZINC000595741333 343136098 /nfs/dbraw/zinc/13/60/98/343136098.db2.gz MQEXKXZLFDQTJO-CYBMUJFWSA-N 1 0 280.324 1.750 20 5 CDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000126461756 187241282 /nfs/dbraw/zinc/24/12/82/187241282.db2.gz SHCIDNAXHMRYLM-UWVGGRQHSA-N 1 0 295.364 1.554 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000382511586 362129570 /nfs/dbraw/zinc/12/95/70/362129570.db2.gz PBNKCRHWMFNVOA-KOLCDFICSA-N 1 0 263.297 1.452 20 5 CDBDRO CC[N@H+](CCNc1cc[nH]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000596109198 343229498 /nfs/dbraw/zinc/22/94/98/343229498.db2.gz LTNCUYPXCFWCCT-UHFFFAOYSA-N 1 0 266.301 1.592 20 5 CDBDRO COC1CC[NH+](CCNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596158652 343255364 /nfs/dbraw/zinc/25/53/64/343255364.db2.gz GJDBTXAOYPDAPC-UHFFFAOYSA-N 1 0 296.327 1.218 20 5 CDBDRO CC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000596268631 343280835 /nfs/dbraw/zinc/28/08/35/343280835.db2.gz KWJOEIHGNQPSMO-VIFPVBQESA-N 1 0 270.358 1.972 20 5 CDBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000596474747 343326116 /nfs/dbraw/zinc/32/61/16/343326116.db2.gz BUQCEUYVEZVDPQ-NSHDSACASA-N 1 0 294.355 1.773 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596278441 343296385 /nfs/dbraw/zinc/29/63/85/343296385.db2.gz MWDCSOCUJAEVPQ-LLVKDONJSA-N 1 0 292.339 1.224 20 5 CDBDRO C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000111784334 365744299 /nfs/dbraw/zinc/74/42/99/365744299.db2.gz DSQQIWUAZCZFLF-PHIMTYICSA-N 1 0 292.339 1.216 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000598341997 343771103 /nfs/dbraw/zinc/77/11/03/343771103.db2.gz ATUKAJMPEKMWEM-SNVBAGLBSA-N 1 0 280.328 1.147 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000598576616 343834374 /nfs/dbraw/zinc/83/43/74/343834374.db2.gz XTRYIOAFIATCLA-LBPRGKRZSA-N 1 0 291.351 1.973 20 5 CDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000598668103 343871271 /nfs/dbraw/zinc/87/12/71/343871271.db2.gz QFAAZODHELMRAT-PELKAZGASA-N 1 0 281.337 1.610 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598914442 343919504 /nfs/dbraw/zinc/91/95/04/343919504.db2.gz DSRMJNULIDWEOJ-SECBINFHSA-N 1 0 296.302 1.807 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915772 343920162 /nfs/dbraw/zinc/92/01/62/343920162.db2.gz OOLIJJMOCMFXNQ-UHFFFAOYSA-N 1 0 284.291 1.983 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915815 343920175 /nfs/dbraw/zinc/92/01/75/343920175.db2.gz QHCHVFNOOUSMSM-UHFFFAOYSA-N 1 0 284.291 1.935 20 5 CDBDRO Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)ccc1[N+](=O)[O-] ZINC000599084757 343951025 /nfs/dbraw/zinc/95/10/25/343951025.db2.gz XDPVRDKLOTVYTJ-IWIIMEHWSA-N 1 0 262.313 1.294 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000599081254 343957356 /nfs/dbraw/zinc/95/73/56/343957356.db2.gz KDTWCVUNOWAKKE-CWSCBRNRSA-N 1 0 262.309 1.943 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000599531544 344076293 /nfs/dbraw/zinc/07/62/93/344076293.db2.gz BQMCJEQCIVPUAQ-ICCXJUOJSA-N 1 0 266.297 1.002 20 5 CDBDRO C[C@H]1CC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000253114321 344090916 /nfs/dbraw/zinc/09/09/16/344090916.db2.gz FELLDDYGKNAAJG-NQBHXWOUSA-N 1 0 282.344 1.321 20 5 CDBDRO COc1ccc(NC(=O)C2(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000602130240 344356233 /nfs/dbraw/zinc/35/62/33/344356233.db2.gz LPSMZJGPKZATBE-UHFFFAOYSA-N 1 0 293.323 1.884 20 5 CDBDRO CC[NH2+][C@@H](C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000602442274 344418208 /nfs/dbraw/zinc/41/82/08/344418208.db2.gz KEBSHBPPWJOOBA-UWVGGRQHSA-N 1 0 265.313 1.770 20 5 CDBDRO COc1ccc(C(=O)N2C[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000602598967 344503992 /nfs/dbraw/zinc/50/39/92/344503992.db2.gz MJBIZJICFDCAOP-WCBMZHEXSA-N 1 0 279.296 1.165 20 5 CDBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1c(F)cccc1[N+](=O)[O-] ZINC000602495920 344441191 /nfs/dbraw/zinc/44/11/91/344441191.db2.gz ICUPYEVQUFAIOD-SNVBAGLBSA-N 1 0 295.314 1.996 20 5 CDBDRO O=[N+]([O-])c1sc(C[NH2+]CCCO)cc1Br ZINC000602504956 344456668 /nfs/dbraw/zinc/45/66/68/344456668.db2.gz ORVVFWMHXYFONT-UHFFFAOYSA-N 1 0 295.158 1.891 20 5 CDBDRO C[C@@H](CCO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602558262 344468047 /nfs/dbraw/zinc/46/80/47/344468047.db2.gz UCQZRYLVOLGNBU-NSHDSACASA-N 1 0 294.355 1.319 20 5 CDBDRO COC(=O)C1(C)C[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602693542 344541332 /nfs/dbraw/zinc/54/13/32/344541332.db2.gz UBVDYWSMDBUWIK-UHFFFAOYSA-N 1 0 278.308 1.632 20 5 CDBDRO CO[C@@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602804106 344592758 /nfs/dbraw/zinc/59/27/58/344592758.db2.gz IGMVGDZILATFSN-GFCCVEGCSA-N 1 0 282.344 1.601 20 5 CDBDRO CCOC[C@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602778709 344595337 /nfs/dbraw/zinc/59/53/37/344595337.db2.gz NJMFJEBKIQOUBO-LBPRGKRZSA-N 1 0 282.344 1.458 20 5 CDBDRO CO[C@@H](C)[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000536858478 282347042 /nfs/dbraw/zinc/34/70/42/282347042.db2.gz OCLSFETWNMEMHD-QWRGUYRKSA-N 1 0 268.313 1.987 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC(C)(C)C1 ZINC000602788485 344600473 /nfs/dbraw/zinc/60/04/73/344600473.db2.gz YLTWPLXUTIPIJP-UHFFFAOYSA-N 1 0 252.318 1.832 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])n1cc(CC[NH3+])nn1 ZINC000603214154 344744783 /nfs/dbraw/zinc/74/47/83/344744783.db2.gz FOOWXZHQZKYZIK-VIFPVBQESA-N 1 0 261.285 1.297 20 5 CDBDRO C[NH2+][C@H](C)c1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000313522179 344907213 /nfs/dbraw/zinc/90/72/13/344907213.db2.gz OBURYIROSFZRHT-MRVPVSSYSA-N 1 0 279.275 1.654 20 5 CDBDRO Cc1cc(N2CCN([C@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000314807752 344914600 /nfs/dbraw/zinc/91/46/00/344914600.db2.gz PAEJNSKSPCOHPR-AWEZNQCLSA-N 1 0 290.367 1.387 20 5 CDBDRO Nc1c(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000292900647 362518178 /nfs/dbraw/zinc/51/81/78/362518178.db2.gz DKNKUZHUFOSHNE-KOLCDFICSA-N 1 0 290.323 1.001 20 5 CDBDRO O=C(NCC[NH+]1CCCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344193634 362549585 /nfs/dbraw/zinc/54/95/85/362549585.db2.gz ZFIPDJILRAGYGH-UHFFFAOYSA-N 1 0 295.314 1.950 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344048914 362540197 /nfs/dbraw/zinc/54/01/97/362540197.db2.gz ZHHUCHGNYBCBSJ-BHDSKKPTSA-N 1 0 280.299 1.937 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344041574 362540332 /nfs/dbraw/zinc/54/03/32/362540332.db2.gz WKQZWWAAEGXKHH-SCRDCRAPSA-N 1 0 292.335 1.676 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000129249510 345278349 /nfs/dbraw/zinc/27/83/49/345278349.db2.gz ZBRYQAWCTBZTDZ-MNOVXSKESA-N 1 0 277.324 1.855 20 5 CDBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000052954937 345309293 /nfs/dbraw/zinc/30/92/93/345309293.db2.gz YFPYSCIRSMLPMA-NSHDSACASA-N 1 0 294.355 1.917 20 5 CDBDRO Cc1cc(C(=O)N[C@]2(C)CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000230730741 345440384 /nfs/dbraw/zinc/44/03/84/345440384.db2.gz KPEHADZUABEBCV-CYBMUJFWSA-N 1 0 263.297 1.385 20 5 CDBDRO CCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000072952824 136482238 /nfs/dbraw/zinc/48/22/38/136482238.db2.gz VBKFINZNWCLMFR-UHFFFAOYSA-N 1 0 279.340 1.753 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000127606864 187319041 /nfs/dbraw/zinc/31/90/41/187319041.db2.gz AWOLOVYCHXUJKS-OLZOCXBDSA-N 1 0 289.335 1.870 20 5 CDBDRO CC(C)N1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000610480772 346290152 /nfs/dbraw/zinc/29/01/52/346290152.db2.gz VOSJQHPYIKDRBJ-AWEZNQCLSA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@H]([NH2+]C1CC1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000382949946 362695984 /nfs/dbraw/zinc/69/59/84/362695984.db2.gz LJLCUCBQWBDBGB-VIFPVBQESA-N 1 0 263.297 1.352 20 5 CDBDRO O=[N+]([O-])c1cccnc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037404459 346353581 /nfs/dbraw/zinc/35/35/81/346353581.db2.gz PKEKQNRBTNVMOJ-SNVBAGLBSA-N 1 0 262.313 1.886 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000037881812 346369824 /nfs/dbraw/zinc/36/98/24/346369824.db2.gz SGKKPUJQTAIZQA-AWEZNQCLSA-N 1 0 290.323 1.250 20 5 CDBDRO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)C1CCCC1 ZINC000053152409 346379316 /nfs/dbraw/zinc/37/93/16/346379316.db2.gz XDMDNYCRFOUBSV-UHFFFAOYSA-N 1 0 294.355 1.869 20 5 CDBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N(C)C ZINC000584665146 346387280 /nfs/dbraw/zinc/38/72/80/346387280.db2.gz BFQPLCLYULBSKX-SKDRFNHKSA-N 1 0 277.324 1.648 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CCC[C@H]32)c1 ZINC000610762682 346398616 /nfs/dbraw/zinc/39/86/16/346398616.db2.gz NXSMNHXKKHVNHF-NJZAAPMLSA-N 1 0 292.335 1.819 20 5 CDBDRO Cc1sc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000186767603 282476402 /nfs/dbraw/zinc/47/64/02/282476402.db2.gz OMYIMEYRIOAZNP-IONNQARKSA-N 1 0 283.353 1.693 20 5 CDBDRO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000225234454 346493857 /nfs/dbraw/zinc/49/38/57/346493857.db2.gz PKPCKNLXMXTUSF-NQBHXWOUSA-N 1 0 282.344 1.321 20 5 CDBDRO CC[N@@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611087726 346603538 /nfs/dbraw/zinc/60/35/38/346603538.db2.gz FMVMEYFOURFILK-LBPRGKRZSA-N 1 0 291.351 1.690 20 5 CDBDRO COc1cc(N2CC[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000615494275 348559670 /nfs/dbraw/zinc/55/96/70/348559670.db2.gz MMDUBVUESMEZJZ-SNVBAGLBSA-N 1 0 265.313 1.744 20 5 CDBDRO COc1cc(NC[C@@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000104246558 185942125 /nfs/dbraw/zinc/94/21/25/185942125.db2.gz OPRXUBZBFZZNKH-JTQLQIEISA-N 1 0 251.286 1.767 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000089106310 179701686 /nfs/dbraw/zinc/70/16/86/179701686.db2.gz ZBJLMZGJXXSMCE-OCCSQVGLSA-N 1 0 291.351 1.771 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000067703512 349033677 /nfs/dbraw/zinc/03/36/77/349033677.db2.gz QCNIRHOUHCIQRN-LBPRGKRZSA-N 1 0 289.335 1.870 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000383000790 362937361 /nfs/dbraw/zinc/93/73/61/362937361.db2.gz RYBHPIVXXGHLPC-MRVPVSSYSA-N 1 0 252.274 1.406 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000089461289 179796135 /nfs/dbraw/zinc/79/61/35/179796135.db2.gz YMZQPPGTPNJXMA-ZYHUDNBSSA-N 1 0 277.324 1.586 20 5 CDBDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000108903484 186235180 /nfs/dbraw/zinc/23/51/80/186235180.db2.gz BHVNRSQSXSINND-LLVKDONJSA-N 1 0 277.324 1.585 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000109849486 186276896 /nfs/dbraw/zinc/27/68/96/186276896.db2.gz JYRBFEGZXXOTSB-LLVKDONJSA-N 1 0 293.323 1.042 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000311838023 350725064 /nfs/dbraw/zinc/72/50/64/350725064.db2.gz GKFSPBZRFRCANC-JTQLQIEISA-N 1 0 265.313 1.381 20 5 CDBDRO CNC(=O)[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000111267851 186383098 /nfs/dbraw/zinc/38/30/98/186383098.db2.gz SYCFUWKAYNWESU-CYBMUJFWSA-N 1 0 291.351 1.595 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000123815412 351288548 /nfs/dbraw/zinc/28/85/48/351288548.db2.gz SOYLYNDBCKAEGB-GXFFZTMASA-N 1 0 265.313 1.143 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC([NH+]2CCCC2)CC1 ZINC000048563932 282774417 /nfs/dbraw/zinc/77/44/17/282774417.db2.gz AKZATFOPBZWGTR-UHFFFAOYSA-N 1 0 279.344 1.393 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000122324194 187027332 /nfs/dbraw/zinc/02/73/32/187027332.db2.gz SCNCBQHUIKOLEK-MRVPVSSYSA-N 1 0 255.299 1.220 20 5 CDBDRO CO[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000167358834 363171585 /nfs/dbraw/zinc/17/15/85/363171585.db2.gz UONCZRHLZRJWNR-LSDHHAIUSA-N 1 0 293.367 1.575 20 5 CDBDRO CC(C)([NH2+]CCn1cncn1)c1ccccc1[N+](=O)[O-] ZINC000292048845 198145193 /nfs/dbraw/zinc/14/51/93/198145193.db2.gz BIICRAMXKLPQJR-UHFFFAOYSA-N 1 0 275.312 1.711 20 5 CDBDRO [NH3+]CC1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000165982966 358475214 /nfs/dbraw/zinc/47/52/14/358475214.db2.gz FKDBMUDHUYPBPH-UHFFFAOYSA-N 1 0 279.296 1.289 20 5 CDBDRO COc1cc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000165983468 358475257 /nfs/dbraw/zinc/47/52/57/358475257.db2.gz NDFXJGKKPIVDPX-KOLCDFICSA-N 1 0 293.323 1.413 20 5 CDBDRO CNC(=O)CCC[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154926379 188170928 /nfs/dbraw/zinc/17/09/28/188170928.db2.gz JOYSTRKYUJLFDA-ZDUSSCGKSA-N 1 0 295.339 1.086 20 5 CDBDRO C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000155039932 188178250 /nfs/dbraw/zinc/17/82/50/188178250.db2.gz JZUREHKCZNTPNQ-LLVKDONJSA-N 1 0 292.339 1.217 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000295228836 199412068 /nfs/dbraw/zinc/41/20/68/199412068.db2.gz NSAFPSZQDFNLHH-VIFPVBQESA-N 1 0 297.311 1.079 20 5 CDBDRO C[C@@H](CC(N)=O)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272669345 191855307 /nfs/dbraw/zinc/85/53/07/191855307.db2.gz STDYFANJJFZLQG-QMMMGPOBSA-N 1 0 285.731 1.644 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)C2CCOCC2)c(F)c1 ZINC000359867536 356428957 /nfs/dbraw/zinc/42/89/57/356428957.db2.gz CKHHITPPEYCINW-AWEZNQCLSA-N 1 0 298.314 1.611 20 5 CDBDRO CCc1ccc(C(=O)N2CC[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000175425763 356560847 /nfs/dbraw/zinc/56/08/47/356560847.db2.gz MJQVHMLPIMMTKM-UHFFFAOYSA-N 1 0 291.351 1.981 20 5 CDBDRO CC[C@@H](O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000118857528 357044377 /nfs/dbraw/zinc/04/43/77/357044377.db2.gz ZDYHGSADWVNSNC-OAHLLOKOSA-N 1 0 293.367 1.483 20 5 CDBDRO NC(=O)CC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000048024694 357171360 /nfs/dbraw/zinc/17/13/60/357171360.db2.gz KMDYYIINYDZXPZ-UHFFFAOYSA-N 1 0 277.324 1.682 20 5 CDBDRO CC[NH+](CC)CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000013617336 357210017 /nfs/dbraw/zinc/21/00/17/357210017.db2.gz SYPZBNDYZYXMPU-UHFFFAOYSA-N 1 0 295.339 1.432 20 5 CDBDRO COc1cccc(NC[C@@H]([NH3+])C2CC2)c1[N+](=O)[O-] ZINC000135058745 357312855 /nfs/dbraw/zinc/31/28/55/357312855.db2.gz QQNDUPAFFMDYQP-SECBINFHSA-N 1 0 251.286 1.753 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000261874017 357338609 /nfs/dbraw/zinc/33/86/09/357338609.db2.gz SSFLGDMDSPSIFR-MNOVXSKESA-N 1 0 293.323 1.169 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](CCO)c2ccco2)c1 ZINC000185066025 357504640 /nfs/dbraw/zinc/50/46/40/357504640.db2.gz CYKYWXUGAVWSHS-LLVKDONJSA-N 1 0 280.284 1.098 20 5 CDBDRO CC[C@@H](NC(=O)[C@@H]([NH3+])CC)c1cccc([N+](=O)[O-])c1 ZINC000236942916 357470908 /nfs/dbraw/zinc/47/09/08/357470908.db2.gz SIRGTEACZWDVPK-NWDGAFQWSA-N 1 0 265.313 1.899 20 5 CDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000286646526 357650764 /nfs/dbraw/zinc/65/07/64/357650764.db2.gz DLFJLBWUMWBDGY-NSHDSACASA-N 1 0 293.371 1.225 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000186753192 357683783 /nfs/dbraw/zinc/68/37/83/357683783.db2.gz OGMDNQZIFHIEHI-PRHODGIISA-N 1 0 297.742 1.976 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[NH2+]1 ZINC000135224601 357798449 /nfs/dbraw/zinc/79/84/49/357798449.db2.gz AALZUVOTUVROLO-NSHDSACASA-N 1 0 263.297 1.006 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000135227517 357799299 /nfs/dbraw/zinc/79/92/99/357799299.db2.gz UCOWMFJEQCUNJB-NSHDSACASA-N 1 0 277.324 1.585 20 5 CDBDRO C[C@H](CCCO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000584530118 358116294 /nfs/dbraw/zinc/11/62/94/358116294.db2.gz MJCCRFKSEBGMDM-LLVKDONJSA-N 1 0 295.339 1.674 20 5 CDBDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000193581009 358305362 /nfs/dbraw/zinc/30/53/62/358305362.db2.gz WEIVIIZUAMWZGY-GWCFXTLKSA-N 1 0 293.323 1.088 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[NH2+]1 ZINC000088059006 358356180 /nfs/dbraw/zinc/35/61/80/358356180.db2.gz WDBJXRIDIFWYQP-SSDOTTSWSA-N 1 0 255.299 1.090 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000422747747 535428098 /nfs/dbraw/zinc/42/80/98/535428098.db2.gz QTTVFQVSZKCGFV-SECBINFHSA-N 1 0 279.296 1.085 20 5 CDBDRO COc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000186810213 358826644 /nfs/dbraw/zinc/82/66/44/358826644.db2.gz LRMUEUVTVXQMCC-MWLCHTKSSA-N 1 0 293.323 1.331 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)C[C@@H]12 ZINC000185083774 358771917 /nfs/dbraw/zinc/77/19/17/358771917.db2.gz MXGIGUHEKRLOLO-SZEHBUNVSA-N 1 0 281.337 1.466 20 5 CDBDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000449450302 358807401 /nfs/dbraw/zinc/80/74/01/358807401.db2.gz BBNZVOXPVNEOEX-JSGCOSHPSA-N 1 0 280.324 1.736 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NCC1([NH+](C)C)CCCC1 ZINC000041620696 358889988 /nfs/dbraw/zinc/88/99/88/358889988.db2.gz LDQMWZONFDYECZ-UHFFFAOYSA-N 1 0 267.333 1.615 20 5 CDBDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000159334328 358973574 /nfs/dbraw/zinc/97/35/74/358973574.db2.gz XCGMKDOKRYMMKW-ZJUUUORDSA-N 1 0 281.312 1.234 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)N(CCO)[C@@H](C)C2)n1 ZINC000450797429 359006372 /nfs/dbraw/zinc/00/63/72/359006372.db2.gz SOGBGGYIOVUBLU-TXEJJXNPSA-N 1 0 294.355 1.190 20 5 CDBDRO C[C@@H](O)CN(C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000159400686 359059333 /nfs/dbraw/zinc/05/93/33/359059333.db2.gz XONMFDZPLFEGBU-ZJUUUORDSA-N 1 0 281.312 1.234 20 5 CDBDRO COC[C@@H](CO)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000353070922 359133973 /nfs/dbraw/zinc/13/39/73/359133973.db2.gz JHOAVTKNPVYNKL-GFCCVEGCSA-N 1 0 282.340 1.815 20 5 CDBDRO Nc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000047139869 359174675 /nfs/dbraw/zinc/17/46/75/359174675.db2.gz WMIMQDPVZSNXAU-UHFFFAOYSA-N 1 0 292.339 1.393 20 5 CDBDRO NC(=O)c1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000048436653 359205396 /nfs/dbraw/zinc/20/53/96/359205396.db2.gz XSLCMRFEYCCMFE-UHFFFAOYSA-N 1 0 285.303 1.984 20 5 CDBDRO COC[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])OC ZINC000569941169 359270675 /nfs/dbraw/zinc/27/06/75/359270675.db2.gz LRZYLGGNRPVWKU-ZWNOBZJWSA-N 1 0 280.324 1.833 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000054131590 359424469 /nfs/dbraw/zinc/42/44/69/359424469.db2.gz APGZGULAZRSFNR-UHFFFAOYSA-N 1 0 285.731 1.930 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000571779498 359612693 /nfs/dbraw/zinc/61/26/93/359612693.db2.gz LWIILKLAFMGFGX-RYUDHWBXSA-N 1 0 276.340 1.816 20 5 CDBDRO [NH3+]C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000050245658 359689137 /nfs/dbraw/zinc/68/91/37/359689137.db2.gz HGIGCLWSAZIQMO-MRVPVSSYSA-N 1 0 267.260 1.155 20 5 CDBDRO O=[N+]([O-])c1nn(C[C@H]2CC[NH2+]C2)cc1Br ZINC000051890506 359980328 /nfs/dbraw/zinc/98/03/28/359980328.db2.gz LBJQTDHNIYNRKN-LURJTMIESA-N 1 0 275.106 1.163 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063201167 360084933 /nfs/dbraw/zinc/08/49/33/360084933.db2.gz QSOFALZWKRNBFV-NSHDSACASA-N 1 0 279.344 1.297 20 5 CDBDRO CSC[C@](C)(O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000217842710 360110146 /nfs/dbraw/zinc/11/01/46/360110146.db2.gz UYILOPXHORACPC-SNVBAGLBSA-N 1 0 276.383 1.860 20 5 CDBDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000235437396 360110952 /nfs/dbraw/zinc/11/09/52/360110952.db2.gz ARVKNBSGWAWQJG-CYBMUJFWSA-N 1 0 297.742 1.946 20 5 CDBDRO CS(=O)(=O)c1cccc(N[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000138075711 360118621 /nfs/dbraw/zinc/11/86/21/360118621.db2.gz RGQFNVXQQOBFBT-VIFPVBQESA-N 1 0 299.352 1.162 20 5 CDBDRO COc1ccc(C[NH2+]C[C@]2(O)CCSC2)cc1[N+](=O)[O-] ZINC000176751762 189007725 /nfs/dbraw/zinc/00/77/25/189007725.db2.gz FYHHYLCDLHFCRA-CYBMUJFWSA-N 1 0 298.364 1.561 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000382411813 360294734 /nfs/dbraw/zinc/29/47/34/360294734.db2.gz DWZXMTKXIRJYFR-QWRGUYRKSA-N 1 0 281.287 1.734 20 5 CDBDRO C[NH+](C)CCCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136049636 360675395 /nfs/dbraw/zinc/67/53/95/360675395.db2.gz IWXGYJMSBDSWEA-UHFFFAOYSA-N 1 0 285.731 1.930 20 5 CDBDRO CC[N@H+](CC(=O)N1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000179174904 189175176 /nfs/dbraw/zinc/17/51/76/189175176.db2.gz WDWVMTKCJROAGD-UHFFFAOYSA-N 1 0 289.335 1.968 20 5 CDBDRO C[N@@H+]1CC[C@@](O)(CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000358328733 360960024 /nfs/dbraw/zinc/96/00/24/360960024.db2.gz JYUWGVDEMHFICP-GFCCVEGCSA-N 1 0 285.731 1.727 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000053201951 361204549 /nfs/dbraw/zinc/20/45/49/361204549.db2.gz VUUYLTZEPPUURK-VIFPVBQESA-N 1 0 269.326 1.480 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000053202377 361203597 /nfs/dbraw/zinc/20/35/97/361203597.db2.gz OUPJXGQMXCGXPG-MMQHEFTJSA-N 1 0 289.335 1.818 20 5 CDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000248572658 361249720 /nfs/dbraw/zinc/24/97/20/361249720.db2.gz CYCLXVXKMFGBCF-FPMFFAJLSA-N 1 0 289.335 1.333 20 5 CDBDRO COc1ccc(OCC[N@H+]2CC[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000267616556 361229483 /nfs/dbraw/zinc/22/94/83/361229483.db2.gz COJSGLLVBSBYEH-LBPRGKRZSA-N 1 0 296.323 1.703 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1csc([N+](=O)[O-])c1 ZINC000053252958 361402904 /nfs/dbraw/zinc/40/29/04/361402904.db2.gz NTZVNWFLIUJKAY-MRVPVSSYSA-N 1 0 255.299 1.138 20 5 CDBDRO Cc1n[nH]c(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000272748102 239038313 /nfs/dbraw/zinc/03/83/13/239038313.db2.gz DOTSMQLMEMRBRZ-MRVPVSSYSA-N 1 0 293.327 1.007 20 5 CDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC[C@H](C)O ZINC000304291515 239355363 /nfs/dbraw/zinc/35/53/63/239355363.db2.gz CQRHBULFKLUPLM-WDEREUQCSA-N 1 0 295.339 1.625 20 5 CDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000268178029 364393420 /nfs/dbraw/zinc/39/34/20/364393420.db2.gz SAYZXCVHJIPVTD-JOYOIKCWSA-N 1 0 262.313 1.884 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC(=O)c1cccc(C[NH3+])c1 ZINC001580009177 1172322871 /nfs/dbraw/zinc/32/28/71/1172322871.db2.gz NAPLZTQNADBJFX-UHFFFAOYSA-N 1 0 275.268 1.039 20 5 CDBDRO CC[N@H+](CCCO)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000270766467 366930223 /nfs/dbraw/zinc/93/02/23/366930223.db2.gz ZZZMHSABHCZDJC-LLVKDONJSA-N 1 0 295.339 1.626 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@H](C)CC[NH3+] ZINC000414878344 241434533 /nfs/dbraw/zinc/43/45/33/241434533.db2.gz HDWLUDKOYMFNHT-SNVBAGLBSA-N 1 0 267.329 1.820 20 5 CDBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000272239889 367566763 /nfs/dbraw/zinc/56/67/63/367566763.db2.gz XFHVKBLMGCPMRF-SNVBAGLBSA-N 1 0 295.339 1.990 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000418562988 243215563 /nfs/dbraw/zinc/21/55/63/243215563.db2.gz RUQQJRCPXWWJTK-NSHDSACASA-N 1 0 294.355 1.516 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CC[NH+]1CCCC1 ZINC000330539101 202944104 /nfs/dbraw/zinc/94/41/04/202944104.db2.gz RCHWKRORVOGEHO-UHFFFAOYSA-N 1 0 292.339 1.466 20 5 CDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330615233 203041402 /nfs/dbraw/zinc/04/14/02/203041402.db2.gz TYDSHGPESLPMNK-JTQLQIEISA-N 1 0 280.328 1.527 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000089106744 368974648 /nfs/dbraw/zinc/97/46/48/368974648.db2.gz DSEBWQGWVOSYMQ-IUCAKERBSA-N 1 0 283.353 1.904 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C1CC([NH3+])C1 ZINC000420325837 244088700 /nfs/dbraw/zinc/08/87/00/244088700.db2.gz DJJVOEQJSHUKEN-UHFFFAOYSA-N 1 0 292.339 1.263 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCN2CCC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000420331133 244097021 /nfs/dbraw/zinc/09/70/21/244097021.db2.gz BOXLTQUUSZDDCQ-SWLSCSKDSA-N 1 0 291.351 1.657 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000420367728 244152359 /nfs/dbraw/zinc/15/23/59/244152359.db2.gz NFRWCJKKTDCKEY-LALPHHSUSA-N 1 0 293.367 1.950 20 5 CDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)CC[NH3+] ZINC000420382348 244179943 /nfs/dbraw/zinc/17/99/43/244179943.db2.gz PRDCFBPACVTXRT-UHFFFAOYSA-N 1 0 267.329 1.773 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420634090 244300221 /nfs/dbraw/zinc/30/02/21/244300221.db2.gz KJBZIYZUBISYBP-NSHDSACASA-N 1 0 264.329 1.829 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[N@@H+](CC1(CO)COC1)C1CC1 ZINC000135227224 369651889 /nfs/dbraw/zinc/65/18/89/369651889.db2.gz NOGVFJMABQNTPF-UHFFFAOYSA-N 1 0 292.335 1.568 20 5 CDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(Cl)c1[N+](=O)[O-] ZINC000295217939 369674864 /nfs/dbraw/zinc/67/48/64/369674864.db2.gz MKDQAPACPGUPCE-MBTKJCJQSA-N 1 0 281.699 1.196 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000351831234 369750543 /nfs/dbraw/zinc/75/05/43/369750543.db2.gz VZAMZZYAGBUMEA-GHMZBOCLSA-N 1 0 293.323 1.169 20 5 CDBDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668491 369783251 /nfs/dbraw/zinc/78/32/51/369783251.db2.gz TZCLLLGUSFWXGE-CABZTGNLSA-N 1 0 265.313 1.584 20 5 CDBDRO CC(C)[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000399708611 370068137 /nfs/dbraw/zinc/06/81/37/370068137.db2.gz FENNTCSUQALFIH-GWCFXTLKSA-N 1 0 279.340 1.830 20 5 CDBDRO CC[C@H](CO)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000295705908 370581486 /nfs/dbraw/zinc/58/14/86/370581486.db2.gz MVQCYJPROYGTKU-LLVKDONJSA-N 1 0 268.313 1.676 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000168708545 371047931 /nfs/dbraw/zinc/04/79/31/371047931.db2.gz SFAURHSTINLFIC-VKYBYORPSA-N 1 0 289.335 1.804 20 5 CDBDRO Cc1c(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000163536821 291508920 /nfs/dbraw/zinc/50/89/20/291508920.db2.gz WFMASEUOISRMAC-PWSUYJOCSA-N 1 0 291.351 1.960 20 5 CDBDRO Cc1c(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000168697824 291511389 /nfs/dbraw/zinc/51/13/89/291511389.db2.gz CQJJFRGFXGRACW-MNOVXSKESA-N 1 0 277.324 1.713 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000422835309 245314558 /nfs/dbraw/zinc/31/45/58/245314558.db2.gz YMQPOCHSKYAOOM-VIFPVBQESA-N 1 0 295.339 1.497 20 5 CDBDRO COc1ccc(CN[C@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000414956954 371169773 /nfs/dbraw/zinc/16/97/73/371169773.db2.gz QKNNLXLMYSFBAM-PWSUYJOCSA-N 1 0 279.340 1.834 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]([NH3+])CC ZINC000414973064 371196871 /nfs/dbraw/zinc/19/68/71/371196871.db2.gz BQDKRUXXWDBWSZ-NSHDSACASA-N 1 0 267.329 1.820 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367987226 371270995 /nfs/dbraw/zinc/27/09/95/371270995.db2.gz DQURAVMNDLYLDL-JTQLQIEISA-N 1 0 293.323 1.301 20 5 CDBDRO [NH3+][C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@H]1F ZINC001580395512 1172422063 /nfs/dbraw/zinc/42/20/63/1172422063.db2.gz PDCOLSMMXRSQRQ-BXKDBHETSA-N 1 0 289.257 1.744 20 5 CDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001580418384 1172427476 /nfs/dbraw/zinc/42/74/76/1172427476.db2.gz RWVDQWPDJORFIP-TXEJJXNPSA-N 1 0 292.339 1.174 20 5 CDBDRO CC[C@@H](NC(=O)[C@@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000120794519 372793086 /nfs/dbraw/zinc/79/30/86/372793086.db2.gz YOIPJLDTHUJIGV-LDYMZIIASA-N 1 0 251.286 1.509 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1CO ZINC000190883133 373413031 /nfs/dbraw/zinc/41/30/31/373413031.db2.gz WKUFJKZGZKNLGZ-ZJUUUORDSA-N 1 0 291.307 1.796 20 5 CDBDRO C[C@@H](O)CC[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269675462 373627265 /nfs/dbraw/zinc/62/72/65/373627265.db2.gz PBKWJDKAPVUJIS-ZWNOBZJWSA-N 1 0 268.313 1.331 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420178815 374291305 /nfs/dbraw/zinc/29/13/05/374291305.db2.gz UWKMVXZVYVBRGH-SECBINFHSA-N 1 0 289.295 1.443 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000422703822 374358487 /nfs/dbraw/zinc/35/84/87/374358487.db2.gz IXBLKGOHFUFIEI-SNVBAGLBSA-N 1 0 263.297 1.385 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCC[NH3+] ZINC000423502141 374385505 /nfs/dbraw/zinc/38/55/05/374385505.db2.gz LVEYBIDENLEWKV-UHFFFAOYSA-N 1 0 279.340 1.989 20 5 CDBDRO CC[C@](C)(CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000080897057 374483756 /nfs/dbraw/zinc/48/37/56/374483756.db2.gz SODDTFHAWMSARP-CYBMUJFWSA-N 1 0 268.313 1.854 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCC[NH2+]1 ZINC000081000327 374488185 /nfs/dbraw/zinc/48/81/85/374488185.db2.gz OCLALVHORUSBGS-ZDUSSCGKSA-N 1 0 277.324 1.743 20 5 CDBDRO NC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000081540901 374517969 /nfs/dbraw/zinc/51/79/69/374517969.db2.gz MRJVMTFUBSAACF-UHFFFAOYSA-N 1 0 278.312 1.228 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000423948194 246245605 /nfs/dbraw/zinc/24/56/05/246245605.db2.gz FLOGHWHIZJTTRM-LBPRGKRZSA-N 1 0 295.339 1.463 20 5 CDBDRO C[C@H]1CC2(CN1C(=O)c1cc([N+](=O)[O-])c[nH]1)CC[NH2+]CC2 ZINC000424220741 246394516 /nfs/dbraw/zinc/39/45/16/246394516.db2.gz FNOTXBYXNZVPSU-JTQLQIEISA-N 1 0 292.339 1.527 20 5 CDBDRO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])[nH]1)C[NH+]1CCCC1 ZINC000276855458 374754858 /nfs/dbraw/zinc/75/48/58/374754858.db2.gz LPYGOZKAFLWNAZ-UHFFFAOYSA-N 1 0 294.355 1.775 20 5 CDBDRO CCN1C[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000449523665 374819292 /nfs/dbraw/zinc/81/92/92/374819292.db2.gz YYKVNIBJSGYQIR-YPMHNXCESA-N 1 0 291.351 1.736 20 5 CDBDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094775829 374846232 /nfs/dbraw/zinc/84/62/32/374846232.db2.gz FGLGROIJBBDQMS-VIFPVBQESA-N 1 0 284.287 1.975 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000331464174 374957195 /nfs/dbraw/zinc/95/71/95/374957195.db2.gz HIPJMNKQYXKBLD-LLVKDONJSA-N 1 0 289.335 1.870 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000331459613 374957913 /nfs/dbraw/zinc/95/79/13/374957913.db2.gz GNGURZMPHZANGQ-VIFPVBQESA-N 1 0 290.323 1.144 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000331232370 374910666 /nfs/dbraw/zinc/91/06/66/374910666.db2.gz AQHANNWUEAQKNO-LLVKDONJSA-N 1 0 295.314 1.900 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347256224 374988116 /nfs/dbraw/zinc/98/81/16/374988116.db2.gz IOBHHBXFPNRQOV-LLVKDONJSA-N 1 0 296.302 1.950 20 5 CDBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000304508310 375458000 /nfs/dbraw/zinc/45/80/00/375458000.db2.gz HKWHNUURSBUOFY-CHWSQXEVSA-N 1 0 282.344 1.417 20 5 CDBDRO C[C@@H]1C[C@H](O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000401678782 375465268 /nfs/dbraw/zinc/46/52/68/375465268.db2.gz XVXZTKFDFQKWNZ-MFKMUULPSA-N 1 0 250.298 1.798 20 5 CDBDRO CC[NH+](CC)CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000049092619 375402147 /nfs/dbraw/zinc/40/21/47/375402147.db2.gz XJJYLXAVRJTZRN-UHFFFAOYSA-N 1 0 265.313 1.553 20 5 CDBDRO CCC[C@]1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CCOC1 ZINC000352833292 375541845 /nfs/dbraw/zinc/54/18/45/375541845.db2.gz QZSOTTODRXFYNK-LBPRGKRZSA-N 1 0 268.317 1.377 20 5 CDBDRO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000029914256 375521477 /nfs/dbraw/zinc/52/14/77/375521477.db2.gz MATDCLPFCHAOKZ-UHFFFAOYSA-N 1 0 289.335 1.968 20 5 CDBDRO Cc1ccnc(NC[C@](C)(O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000132983095 375653597 /nfs/dbraw/zinc/65/35/97/375653597.db2.gz CVMVISHSXNUPCJ-LBPRGKRZSA-N 1 0 268.317 1.023 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428053968 247235925 /nfs/dbraw/zinc/23/59/25/247235925.db2.gz MWJQLTDQAXIXIU-ZWNOBZJWSA-N 1 0 279.315 1.918 20 5 CDBDRO [NH3+]CC[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)C(F)F ZINC000383460276 375890395 /nfs/dbraw/zinc/89/03/95/375890395.db2.gz OSAGUMXGCGAGMJ-ZCFIWIBFSA-N 1 0 279.268 1.369 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H]1CCNC1=O ZINC000347361503 376010732 /nfs/dbraw/zinc/01/07/32/376010732.db2.gz PBABBDCPQSWQPJ-BMGYJQCNSA-N 1 0 289.335 1.818 20 5 CDBDRO O=C(C[NH2+]C[C@@H]1CCCO1)Nc1cccc([N+](=O)[O-])c1 ZINC000232740126 377215015 /nfs/dbraw/zinc/21/50/15/377215015.db2.gz JKYZXEPYIXAQRM-LBPRGKRZSA-N 1 0 279.296 1.302 20 5 CDBDRO CCc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000266924949 378759381 /nfs/dbraw/zinc/75/93/81/378759381.db2.gz LNPCRUXOIQIFQE-NSHDSACASA-N 1 0 291.351 1.839 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H]2CO)c1 ZINC000069808328 378833291 /nfs/dbraw/zinc/83/32/91/378833291.db2.gz AUEPRFSVRNLXOQ-LBPRGKRZSA-N 1 0 266.297 1.430 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000173724905 378988792 /nfs/dbraw/zinc/98/87/92/378988792.db2.gz IDDOIIKNHLQUOO-UHFFFAOYSA-N 1 0 265.313 1.585 20 5 CDBDRO C[N@H+](CCn1cnc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000278615346 194069915 /nfs/dbraw/zinc/06/99/15/194069915.db2.gz SBBSSOHOHAVFSG-UHFFFAOYSA-N 1 0 261.285 1.318 20 5 CDBDRO CC[NH+]1CCC(N(C)c2ncc([N+](=O)[O-])s2)CC1 ZINC000443437647 250029176 /nfs/dbraw/zinc/02/91/76/250029176.db2.gz PDYHBXBQUNQKRU-UHFFFAOYSA-N 1 0 270.358 1.972 20 5 CDBDRO Cc1ncsc1CN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000174854412 379592753 /nfs/dbraw/zinc/59/27/53/379592753.db2.gz JZPPRAKAFUZBAA-UHFFFAOYSA-N 1 0 281.341 1.688 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@H+](C)C1CC1 ZINC000288191716 197023398 /nfs/dbraw/zinc/02/33/98/197023398.db2.gz RXGFWGMQLHVLDZ-UHFFFAOYSA-N 1 0 267.333 1.626 20 5 CDBDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)NC ZINC000449779600 251016015 /nfs/dbraw/zinc/01/60/15/251016015.db2.gz UFQZOPROEMBXPW-CMPLNLGQSA-N 1 0 279.340 1.640 20 5 CDBDRO Cc1nc(N[C@@H]2CCC[N@H+](C)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000450435724 251282608 /nfs/dbraw/zinc/28/26/08/251282608.db2.gz IDSXQOUFLKRVNY-NXEZZACHSA-N 1 0 265.317 1.588 20 5 CDBDRO CC[C@H]([NH3+])C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000491075581 253060906 /nfs/dbraw/zinc/06/09/06/253060906.db2.gz CDMXONCSVDWTHV-NSHDSACASA-N 1 0 265.313 1.683 20 5 CDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NCC[NH+]1CCC1 ZINC000492221506 253177644 /nfs/dbraw/zinc/17/76/44/253177644.db2.gz JTQGIHXHKPAWNJ-HYXAFXHYSA-N 1 0 293.298 1.569 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H](C[NH+]3CCCC3)C2)nc1 ZINC000273593980 285176266 /nfs/dbraw/zinc/17/62/66/285176266.db2.gz HXQNFODYNAUUOA-NSHDSACASA-N 1 0 277.328 1.307 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000281819780 195395750 /nfs/dbraw/zinc/39/57/50/195395750.db2.gz WUPZKWAOPDTHKE-CMPLNLGQSA-N 1 0 268.317 1.291 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000048894276 390462902 /nfs/dbraw/zinc/46/29/02/390462902.db2.gz XBLIDLXLLLAKOP-JTQLQIEISA-N 1 0 267.333 1.472 20 5 CDBDRO Cc1cc(N2CC[C@@]3(CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC000261585038 390475425 /nfs/dbraw/zinc/47/54/25/390475425.db2.gz IDSGUOWPPGMNTI-CYBMUJFWSA-N 1 0 262.313 1.488 20 5 CDBDRO C[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163930534 390941266 /nfs/dbraw/zinc/94/12/66/390941266.db2.gz SYLWWGIGDNEHOQ-ZJUUUORDSA-N 1 0 250.302 1.411 20 5 CDBDRO CC[C@@](C)([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000177135534 391020774 /nfs/dbraw/zinc/02/07/74/391020774.db2.gz XHNIULRKVFZPIE-CYBMUJFWSA-N 1 0 281.312 1.217 20 5 CDBDRO C[C@H](CO)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411400982 390966536 /nfs/dbraw/zinc/96/65/36/390966536.db2.gz LLRRDRYYKRPAQC-SNVBAGLBSA-N 1 0 281.312 1.236 20 5 CDBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1COC1 ZINC000411774924 390968278 /nfs/dbraw/zinc/96/82/78/390968278.db2.gz QCLAVMIXRZSZEG-UHFFFAOYSA-N 1 0 293.323 1.644 20 5 CDBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]2COC[C@@H]21 ZINC000452112988 391044835 /nfs/dbraw/zinc/04/48/35/391044835.db2.gz ZFKCVKUSTVRCFA-NWDGAFQWSA-N 1 0 280.328 1.148 20 5 CDBDRO COc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000340936959 391070319 /nfs/dbraw/zinc/07/03/19/391070319.db2.gz UMZSJUCIVSUOCR-ONGXEEELSA-N 1 0 266.297 1.559 20 5 CDBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000264370089 391116382 /nfs/dbraw/zinc/11/63/82/391116382.db2.gz WQVXUKHIDFMIPT-QWRGUYRKSA-N 1 0 297.330 1.625 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000311990068 533573148 /nfs/dbraw/zinc/57/31/48/533573148.db2.gz SBTAHVSBCNPTNW-QBBOHKLWSA-N 1 0 263.297 1.462 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417937264 533549980 /nfs/dbraw/zinc/54/99/80/533549980.db2.gz IBXGVRDIWNWNAM-NSHDSACASA-N 1 0 294.355 1.564 20 5 CDBDRO COc1ccc(CN[C@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000415030896 391246977 /nfs/dbraw/zinc/24/69/77/391246977.db2.gz DBJKPCPWLZXFPP-ZDUSSCGKSA-N 1 0 279.340 1.834 20 5 CDBDRO [NH3+]CCCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000414673589 391339529 /nfs/dbraw/zinc/33/95/29/391339529.db2.gz QZXPRXVOSFABDF-UHFFFAOYSA-N 1 0 264.329 1.066 20 5 CDBDRO C[NH+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411163593 391401613 /nfs/dbraw/zinc/40/16/13/391401613.db2.gz OFOYLXHZPVQTQH-QWHCGFSZSA-N 1 0 277.324 1.376 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[NH3+] ZINC000415477103 391466512 /nfs/dbraw/zinc/46/65/12/391466512.db2.gz AKRPHHYABFWYOE-SECBINFHSA-N 1 0 266.301 1.680 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415630864 391470097 /nfs/dbraw/zinc/47/00/97/391470097.db2.gz LQOWIKXHPYJICC-RKDXNWHRSA-N 1 0 296.302 1.935 20 5 CDBDRO C[C@@](C[NH3+])(NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000415637125 391470308 /nfs/dbraw/zinc/47/03/08/391470308.db2.gz YWXQWRLLLUHUNR-ZDUSSCGKSA-N 1 0 296.302 1.983 20 5 CDBDRO CCOC[C@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268973550 391476225 /nfs/dbraw/zinc/47/62/25/391476225.db2.gz INSZDWGWWQRORQ-DGCLKSJQSA-N 1 0 282.340 1.951 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000324820060 391534068 /nfs/dbraw/zinc/53/40/68/391534068.db2.gz VXFSPBUTSZJZEP-ZIAGYGMSSA-N 1 0 294.355 1.321 20 5 CDBDRO C[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000190814130 533657373 /nfs/dbraw/zinc/65/73/73/533657373.db2.gz NYGPFWHICODVBC-WDEREUQCSA-N 1 0 268.313 1.158 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000269274771 391647215 /nfs/dbraw/zinc/64/72/15/391647215.db2.gz ZEDPZMSPIBCMEF-SECBINFHSA-N 1 0 281.312 1.075 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H]2C[C@@H]3C=C[C@H]2C3)c1 ZINC000151289533 391723725 /nfs/dbraw/zinc/72/37/25/391723725.db2.gz FCSUTRKZHYTABR-GRYCIOLGSA-N 1 0 262.313 1.593 20 5 CDBDRO CCN1C[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000391622041 391725596 /nfs/dbraw/zinc/72/55/96/391725596.db2.gz HJARUCRIKPQHOW-GFCCVEGCSA-N 1 0 277.324 1.614 20 5 CDBDRO CC(C)Oc1nc(N2CC[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000574054173 391732275 /nfs/dbraw/zinc/73/22/75/391732275.db2.gz UWIXQFAYJQCTHE-NSHDSACASA-N 1 0 294.355 1.917 20 5 CDBDRO CC[N@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000190331950 130091449 /nfs/dbraw/zinc/09/14/49/130091449.db2.gz XPIRXVGYXOYASL-VIFPVBQESA-N 1 0 270.358 1.829 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+]1C ZINC000192531064 130464818 /nfs/dbraw/zinc/46/48/18/130464818.db2.gz ZXQMWZAUECBDDF-SNVBAGLBSA-N 1 0 267.333 1.626 20 5 CDBDRO CC[C@]1(O)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000495194674 391905337 /nfs/dbraw/zinc/90/53/37/391905337.db2.gz OPLSGKNRFAVXNQ-AWEZNQCLSA-N 1 0 293.323 1.041 20 5 CDBDRO CC[C@@](C)([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000133201168 391919981 /nfs/dbraw/zinc/91/99/81/391919981.db2.gz JKKHHAHHZFDHNY-CYBMUJFWSA-N 1 0 281.312 1.217 20 5 CDBDRO C[NH+](C)C1(CNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000416289468 391983215 /nfs/dbraw/zinc/98/32/15/391983215.db2.gz JQNAFQLRCDWXQR-UHFFFAOYSA-N 1 0 293.323 1.184 20 5 CDBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000266577030 391996001 /nfs/dbraw/zinc/99/60/01/391996001.db2.gz UMDFOFSKKNWJET-MNOVXSKESA-N 1 0 292.339 1.622 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000416286642 391981341 /nfs/dbraw/zinc/98/13/41/391981341.db2.gz BDEKTKJIHNCCBN-UHFFFAOYSA-N 1 0 263.297 1.419 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000592213562 392095762 /nfs/dbraw/zinc/09/57/62/392095762.db2.gz UQEOWAHTAGLOSR-ZJUUUORDSA-N 1 0 280.328 1.520 20 5 CDBDRO C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000237429781 131030511 /nfs/dbraw/zinc/03/05/11/131030511.db2.gz HRZJTUSJWVOFLH-GHMZBOCLSA-N 1 0 293.323 1.182 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000261723341 131164324 /nfs/dbraw/zinc/16/43/24/131164324.db2.gz QJLHZMKLKHQIGK-JRPNMDOOSA-N 1 0 291.351 1.640 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000261820608 131171774 /nfs/dbraw/zinc/17/17/74/131171774.db2.gz UIISUFZKOUXUDH-VIFPVBQESA-N 1 0 292.339 1.507 20 5 CDBDRO CC[C@H](NC(=O)CC[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000262549695 131232509 /nfs/dbraw/zinc/23/25/09/131232509.db2.gz ONVYQLOVAHNQDG-LBPRGKRZSA-N 1 0 265.313 1.772 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000262765957 131260417 /nfs/dbraw/zinc/26/04/17/131260417.db2.gz JFMGKJHCFLTSOK-MNOVXSKESA-N 1 0 277.324 1.726 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000262803139 131263121 /nfs/dbraw/zinc/26/31/21/131263121.db2.gz OCWBDSHVQTYORQ-MNOVXSKESA-N 1 0 293.323 1.088 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000262880740 131270516 /nfs/dbraw/zinc/27/05/16/131270516.db2.gz NJKLWGVFTWJTQU-WCQYABFASA-N 1 0 291.351 1.784 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000262974561 131277142 /nfs/dbraw/zinc/27/71/42/131277142.db2.gz XXTPVKLSWNWDAC-WDEREUQCSA-N 1 0 292.339 1.263 20 5 CDBDRO C[N@H+]1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)C[C@H]2C1 ZINC000488780632 392726253 /nfs/dbraw/zinc/72/62/53/392726253.db2.gz IEDPFEMQOKUUMM-TXEJJXNPSA-N 1 0 279.315 1.727 20 5 CDBDRO C[C@H]1[C@H](CO)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000488717184 392721920 /nfs/dbraw/zinc/72/19/20/392721920.db2.gz KUIZWLDHNFPYGW-RYUDHWBXSA-N 1 0 280.324 1.676 20 5 CDBDRO C[NH+](C)C1(CNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000419012349 392885576 /nfs/dbraw/zinc/88/55/76/392885576.db2.gz WCZBWAPGZXOQRG-UHFFFAOYSA-N 1 0 287.323 1.466 20 5 CDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000524720979 392919538 /nfs/dbraw/zinc/91/95/38/392919538.db2.gz UQXMOGLSLZQLBL-LLVKDONJSA-N 1 0 277.324 1.666 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417954143 392875632 /nfs/dbraw/zinc/87/56/32/392875632.db2.gz ZWGLYDYEJFZWTN-JTQLQIEISA-N 1 0 280.328 1.031 20 5 CDBDRO [NH3+][C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000417950100 392876154 /nfs/dbraw/zinc/87/61/54/392876154.db2.gz VPWONGDIVJUBLM-ZDUSSCGKSA-N 1 0 292.339 1.174 20 5 CDBDRO CC[C@H]([NH3+])C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000269052629 132104378 /nfs/dbraw/zinc/10/43/78/132104378.db2.gz DHFOYHAPGJRGCF-NSHDSACASA-N 1 0 294.355 1.559 20 5 CDBDRO C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000269196233 132129031 /nfs/dbraw/zinc/12/90/31/132129031.db2.gz LNHPDTMCIAZHTL-MWLCHTKSSA-N 1 0 292.339 1.295 20 5 CDBDRO CCC[NH2+]CCN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423305686 392960035 /nfs/dbraw/zinc/96/00/35/392960035.db2.gz CENCZBIFWHTYQM-OLZOCXBDSA-N 1 0 295.387 1.864 20 5 CDBDRO CCOc1ccc([C@@H](C)N[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000423340176 392962735 /nfs/dbraw/zinc/96/27/35/392962735.db2.gz XFVWFOCBJAGAKC-NXEZZACHSA-N 1 0 267.329 1.991 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)C(C)C ZINC000430195282 393090894 /nfs/dbraw/zinc/09/08/94/393090894.db2.gz OFPZHHRDPZJLIU-GFCCVEGCSA-N 1 0 268.313 1.710 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000430612215 393102451 /nfs/dbraw/zinc/10/24/51/393102451.db2.gz QSKHCCYWCGFWEW-CYBMUJFWSA-N 1 0 279.340 1.787 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccc(O)c1 ZINC000530905170 393055600 /nfs/dbraw/zinc/05/56/00/393055600.db2.gz UOFDPDBWAGZCJY-UHFFFAOYSA-N 1 0 276.296 1.629 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000532080413 393065726 /nfs/dbraw/zinc/06/57/26/393065726.db2.gz WRBGGPFLCBLPQM-BXKDBHETSA-N 1 0 292.339 1.146 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CC(=O)NC ZINC000449598636 393135843 /nfs/dbraw/zinc/13/58/43/393135843.db2.gz CKAXAMWXTFFFIO-SNVBAGLBSA-N 1 0 295.339 1.608 20 5 CDBDRO Cn1c(C(=O)NCCC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000449679196 393139553 /nfs/dbraw/zinc/13/95/53/393139553.db2.gz GZWLQGGFLJDZQW-SNVBAGLBSA-N 1 0 280.328 1.195 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C1 ZINC000179019274 140011593 /nfs/dbraw/zinc/01/15/93/140011593.db2.gz JGFSCOCCFTXOGF-SNVBAGLBSA-N 1 0 295.314 1.724 20 5 CDBDRO C[C@H]([NH2+]C[C@@H](O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000224472582 140173390 /nfs/dbraw/zinc/17/33/90/140173390.db2.gz CMYPPVYYOJQTDB-OIBJUYFYSA-N 1 0 260.240 1.871 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000229584813 140201946 /nfs/dbraw/zinc/20/19/46/140201946.db2.gz VBHOXLRWILEFSW-QPUJVOFHSA-N 1 0 281.287 1.604 20 5 CDBDRO Cc1c(CNC(=O)[C@H](C)[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000231855912 140219822 /nfs/dbraw/zinc/21/98/22/140219822.db2.gz HHUKOJCIINWZPS-SCZZXKLOSA-N 1 0 265.313 1.503 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000236240892 140239449 /nfs/dbraw/zinc/23/94/49/140239449.db2.gz TXRIZMRCTGFEKV-CYBMUJFWSA-N 1 0 291.351 1.771 20 5 CDBDRO CO[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)[C@H](C[NH3+])C1 ZINC000252778021 140325437 /nfs/dbraw/zinc/32/54/37/140325437.db2.gz QQBYZFYJBKRKTE-KBPBESRZSA-N 1 0 293.367 1.841 20 5 CDBDRO C[C@]1(C[NH3+])CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000261740553 140383329 /nfs/dbraw/zinc/38/33/29/140383329.db2.gz DJHXAMIAESPTBC-CQSZACIVSA-N 1 0 293.323 1.171 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000261843230 140397697 /nfs/dbraw/zinc/39/76/97/140397697.db2.gz VYHATJOITMESDJ-JQWIXIFHSA-N 1 0 279.315 1.775 20 5 CDBDRO COc1cccc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000266033314 397608220 /nfs/dbraw/zinc/60/82/20/397608220.db2.gz SNVDDNKWRMXWBU-UHFFFAOYSA-N 1 0 290.323 1.932 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCC[NH2+]1 ZINC000091558166 146984892 /nfs/dbraw/zinc/98/48/92/146984892.db2.gz IRDLIXUBBUSZFO-SECBINFHSA-N 1 0 253.306 1.284 20 5 CDBDRO COc1cccc(NCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000134907072 147662986 /nfs/dbraw/zinc/66/29/86/147662986.db2.gz LHLMEMNYISODGO-UHFFFAOYSA-N 1 0 294.355 1.263 20 5 CDBDRO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@H]1O ZINC000352657651 155328154 /nfs/dbraw/zinc/32/81/54/155328154.db2.gz BIVQGIJSUUITHY-QWHCGFSZSA-N 1 0 293.323 1.379 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000346003728 153022286 /nfs/dbraw/zinc/02/22/86/153022286.db2.gz FFIHPMCQHYEOAS-UHFFFAOYSA-N 1 0 268.317 1.005 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH+](C)C)c1 ZINC000346226943 153105490 /nfs/dbraw/zinc/10/54/90/153105490.db2.gz POKKXLJDLFMTHK-SECBINFHSA-N 1 0 297.380 1.997 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000348923503 154007869 /nfs/dbraw/zinc/00/78/69/154007869.db2.gz WVZMVTSJQAJULU-GFCCVEGCSA-N 1 0 294.355 1.719 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000363917964 159354226 /nfs/dbraw/zinc/35/42/26/159354226.db2.gz MZHAMEGLEYSMOX-JTQLQIEISA-N 1 0 295.364 1.967 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000372699970 160141637 /nfs/dbraw/zinc/14/16/37/160141637.db2.gz FOKGUYYIZOBQKL-LBPRGKRZSA-N 1 0 293.371 1.246 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C(N)=O ZINC000284887059 196151610 /nfs/dbraw/zinc/15/16/10/196151610.db2.gz QXLSRTGGGHLMOB-MWLCHTKSSA-N 1 0 263.297 1.148 20 5 CDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000285402541 196273771 /nfs/dbraw/zinc/27/37/71/196273771.db2.gz CQDPFPWJJHFHIT-OASPWFOLSA-N 1 0 266.297 1.347 20 5 CDBDRO Cc1ccc(NC(=O)C[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000037386061 173169213 /nfs/dbraw/zinc/16/92/13/173169213.db2.gz NLGCIGUNIKLALV-UHFFFAOYSA-N 1 0 251.286 1.840 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH2+]C1CC1 ZINC000041031567 174455459 /nfs/dbraw/zinc/45/54/59/174455459.db2.gz WZVBSIFKXQLQPF-UHFFFAOYSA-N 1 0 277.324 1.775 20 5 CDBDRO CC(C)([NH3+])c1noc(COc2ccc([N+](=O)[O-])c(F)c2)n1 ZINC000043472940 175053939 /nfs/dbraw/zinc/05/39/39/175053939.db2.gz MLTJUMRMJSTYNJ-UHFFFAOYSA-N 1 0 296.258 1.890 20 5 CDBDRO O=[N+]([O-])c1cccc(-c2noc([C@H]3C[NH2+]CCO3)n2)c1 ZINC000043705265 175099061 /nfs/dbraw/zinc/09/90/61/175099061.db2.gz KRTOCTQKYYYUSJ-SNVBAGLBSA-N 1 0 276.252 1.306 20 5 CDBDRO Cc1cccc(C(=O)NC[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000044501472 175185825 /nfs/dbraw/zinc/18/58/25/175185825.db2.gz CYCDPCYCOICZAO-NSHDSACASA-N 1 0 277.324 1.633 20 5 CDBDRO Cc1c(C(=O)NCC2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000044503749 175186767 /nfs/dbraw/zinc/18/67/67/175186767.db2.gz MWFWSQBJGFPCMR-UHFFFAOYSA-N 1 0 277.324 1.633 20 5 CDBDRO Cc1cccc(C(=O)N2CCC[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000044528531 175193341 /nfs/dbraw/zinc/19/33/41/175193341.db2.gz VCZAQUWTNJUSNN-NSHDSACASA-N 1 0 277.324 1.714 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000071147596 176043092 /nfs/dbraw/zinc/04/30/92/176043092.db2.gz AKYAZPJTLSIAPT-LBPRGKRZSA-N 1 0 263.341 1.945 20 5 CDBDRO CN(C(=O)c1csc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000071310007 176116786 /nfs/dbraw/zinc/11/67/86/176116786.db2.gz HHCHZRICIQUIPJ-QMMMGPOBSA-N 1 0 255.299 1.090 20 5 CDBDRO COc1ccc(CN(C)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000071311519 176118433 /nfs/dbraw/zinc/11/84/33/176118433.db2.gz KDBXJHYBOPUYMQ-LLVKDONJSA-N 1 0 265.313 1.397 20 5 CDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])cn1 ZINC000078543550 177352272 /nfs/dbraw/zinc/35/22/72/177352272.db2.gz SLVMSAHQRJFCTK-LLVKDONJSA-N 1 0 279.344 1.038 20 5 CDBDRO C[C@@](C[NH3+])(NC(=O)/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000313262887 260273445 /nfs/dbraw/zinc/27/34/45/260273445.db2.gz BYMZAXJPFJFHJQ-AJHXJQRKSA-N 1 0 289.335 1.852 20 5 CDBDRO [NH3+]C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000313339882 260285875 /nfs/dbraw/zinc/28/58/75/260285875.db2.gz CNYUHXDRGCBELT-CQSZACIVSA-N 1 0 279.340 1.187 20 5 CDBDRO Cc1ccc(C(=O)NC[C@@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000390028523 262082404 /nfs/dbraw/zinc/08/24/04/262082404.db2.gz YFARMWNSQIKOIB-LBPRGKRZSA-N 1 0 293.323 1.012 20 5 CDBDRO Cc1cccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000037894996 270224556 /nfs/dbraw/zinc/22/45/56/270224556.db2.gz DALROYPTCFZWJD-AWEZNQCLSA-N 1 0 290.323 1.250 20 5 CDBDRO C[NH+](C)C1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000270939623 273792667 /nfs/dbraw/zinc/79/26/67/273792667.db2.gz ZRARKIBBKSTQLQ-UHFFFAOYSA-N 1 0 266.257 1.253 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000133311268 273968051 /nfs/dbraw/zinc/96/80/51/273968051.db2.gz OQNBLQSVGVJZRE-SNVBAGLBSA-N 1 0 250.302 1.486 20 5 CDBDRO COCC[N@@H+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)C[C@H]1C ZINC000266801614 274030197 /nfs/dbraw/zinc/03/01/97/274030197.db2.gz CCMPXPQGZRVNHP-GFCCVEGCSA-N 1 0 294.355 1.455 20 5 CDBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@@H]1[NH+](C)C ZINC000270411800 274186575 /nfs/dbraw/zinc/18/65/75/274186575.db2.gz XPJHRHLQVXKTGG-QWRGUYRKSA-N 1 0 282.369 1.472 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000261873578 274385636 /nfs/dbraw/zinc/38/56/36/274385636.db2.gz ZJHLIADNKYRXQD-SFYZADRCSA-N 1 0 293.352 1.773 20 5 CDBDRO C[C@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000415384079 274558288 /nfs/dbraw/zinc/55/82/88/274558288.db2.gz MJPAWHZOQWRKSG-VHSXEESVSA-N 1 0 293.327 1.003 20 5 CDBDRO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000369894239 275006867 /nfs/dbraw/zinc/00/68/67/275006867.db2.gz VCAWVVPCKKLQLW-SWLSCSKDSA-N 1 0 287.319 1.484 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000261608247 275041231 /nfs/dbraw/zinc/04/12/31/275041231.db2.gz RTYMIXNZDKFYKL-LBPRGKRZSA-N 1 0 282.731 1.833 20 5 CDBDRO CC(C)c1ccc(CN2CCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000357972498 275739473 /nfs/dbraw/zinc/73/94/73/275739473.db2.gz VHHSVAMDNDHDCV-ZDUSSCGKSA-N 1 0 293.367 1.878 20 5 CDBDRO CCOc1cccc(N2CCC[NH2+]CC2)c1[N+](=O)[O-] ZINC000134794989 276380764 /nfs/dbraw/zinc/38/07/64/276380764.db2.gz RVIWNAIWZVWNRK-UHFFFAOYSA-N 1 0 265.313 1.793 20 5 CDBDRO CN(CC[NH3+])CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420381481 276942393 /nfs/dbraw/zinc/94/23/93/276942393.db2.gz CWDTWZKONKFKGN-UHFFFAOYSA-N 1 0 286.719 1.077 20 5 CDBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000081529389 277006428 /nfs/dbraw/zinc/00/64/28/277006428.db2.gz HJGLUUXBICIEGU-JTQLQIEISA-N 1 0 265.313 1.409 20 5 CDBDRO C[NH2+]CCN(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000070303657 277022907 /nfs/dbraw/zinc/02/29/07/277022907.db2.gz CBDQHAHFLZABDO-BQYQJAHWSA-N 1 0 263.297 1.286 20 5 CDBDRO C[N@@H+]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000411149057 277051961 /nfs/dbraw/zinc/05/19/61/277051961.db2.gz OYCHIPHFPJBDCX-UHFFFAOYSA-N 1 0 267.304 1.871 20 5 CDBDRO CNC(=O)CCC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000155288882 277224807 /nfs/dbraw/zinc/22/48/07/277224807.db2.gz JYTIYJKMXWKGHE-UHFFFAOYSA-N 1 0 279.340 1.595 20 5 CDBDRO COC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000279142769 277570174 /nfs/dbraw/zinc/57/01/74/277570174.db2.gz XTZKZLSABBMJQP-TZMCWYRMSA-N 1 0 280.324 1.878 20 5 CDBDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449180551 278052562 /nfs/dbraw/zinc/05/25/62/278052562.db2.gz ADSVJRMWCFPFTK-BXUZGUMPSA-N 1 0 291.351 1.736 20 5 CDBDRO CSCCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298138845 278129077 /nfs/dbraw/zinc/12/90/77/278129077.db2.gz QPEHFUIAAAMHPW-UHFFFAOYSA-N 1 0 296.396 1.865 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)N(C)C ZINC000449282341 278298649 /nfs/dbraw/zinc/29/86/49/278298649.db2.gz GPJQTTBUEVIBTI-QWRGUYRKSA-N 1 0 279.340 1.592 20 5 CDBDRO C[C@@H]([NH3+])CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000178671961 278306363 /nfs/dbraw/zinc/30/63/63/278306363.db2.gz NSTTYNZPSREOOR-SECBINFHSA-N 1 0 283.353 1.540 20 5 CDBDRO CC[N@H+](C)CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173725709 279029675 /nfs/dbraw/zinc/02/96/75/279029675.db2.gz KWPYCVJXQQHNEA-UHFFFAOYSA-N 1 0 265.313 1.205 20 5 CDBDRO C[C@H](C1CCC1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000357038379 279242615 /nfs/dbraw/zinc/24/26/15/279242615.db2.gz NDPFKKTVKJYOEG-LLVKDONJSA-N 1 0 279.340 1.877 20 5 CDBDRO C[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094342463 279882026 /nfs/dbraw/zinc/88/20/26/279882026.db2.gz JRNUASKNQIOYMR-WPRPVWTQSA-N 1 0 253.277 1.907 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000194732038 280052171 /nfs/dbraw/zinc/05/21/71/280052171.db2.gz WVRCBTZIQGXRJO-MRVPVSSYSA-N 1 0 269.326 1.480 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435239267 280192347 /nfs/dbraw/zinc/19/23/47/280192347.db2.gz VSQWVKIFOWBDSW-VIFPVBQESA-N 1 0 281.337 1.623 20 5 CDBDRO Cc1c(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)cccc1[N+](=O)[O-] ZINC000296874219 280205728 /nfs/dbraw/zinc/20/57/28/280205728.db2.gz AMJXFRYDHMXQKW-ZYHUDNBSSA-N 1 0 277.324 1.855 20 5 CDBDRO Cc1c(C(=O)N[C@@H]2CC23CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000368644324 280216196 /nfs/dbraw/zinc/21/61/96/280216196.db2.gz CSVFREITTYIDLW-CYBMUJFWSA-N 1 0 289.335 1.775 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261633236 280372766 /nfs/dbraw/zinc/37/27/66/280372766.db2.gz WDWBQAVVOOZTDA-MWLCHTKSSA-N 1 0 265.288 1.922 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([C@@H](C)[NH3+])CC2)n1 ZINC000162861093 281010554 /nfs/dbraw/zinc/01/05/54/281010554.db2.gz ZFEUJVADLNQDDZ-SNVBAGLBSA-N 1 0 264.329 1.862 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000071310040 281015684 /nfs/dbraw/zinc/01/56/84/281015684.db2.gz RTBWMQCRQYQHNV-LLVKDONJSA-N 1 0 263.297 1.337 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000261631301 281016613 /nfs/dbraw/zinc/01/66/13/281016613.db2.gz WBFHWZKPAAAUEO-CABZTGNLSA-N 1 0 263.297 1.465 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000518241451 281016844 /nfs/dbraw/zinc/01/68/44/281016844.db2.gz VUBVCBIGJBKMNI-RYUDHWBXSA-N 1 0 292.339 1.290 20 5 CDBDRO Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000290531922 281250242 /nfs/dbraw/zinc/25/02/42/281250242.db2.gz DJVZRPDPRLZPSM-LBPRGKRZSA-N 1 0 280.324 1.737 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000301629382 281260420 /nfs/dbraw/zinc/26/04/20/281260420.db2.gz CAGUAGIWJUUNKK-OLZOCXBDSA-N 1 0 277.324 1.422 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCn2cnnc2C2CC2)cc1 ZINC000156218646 289260219 /nfs/dbraw/zinc/26/02/19/289260219.db2.gz PPRJOAMVMHYBOY-UHFFFAOYSA-N 1 0 287.323 1.854 20 5 CDBDRO Cc1nc(N2CCC([C@H]3CCC[NH2+]3)CC2)ncc1[N+](=O)[O-] ZINC000572827089 294697527 /nfs/dbraw/zinc/69/75/27/294697527.db2.gz SZFXUHBBARAGFI-GFCCVEGCSA-N 1 0 291.355 1.662 20 5 CDBDRO C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000036933008 298646303 /nfs/dbraw/zinc/64/63/03/298646303.db2.gz IJEFIICDPMQJNU-CHWSQXEVSA-N 1 0 293.367 1.966 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000131880739 300490586 /nfs/dbraw/zinc/49/05/86/300490586.db2.gz HIJCXCAUMZPSFT-VHSXEESVSA-N 1 0 263.297 1.404 20 5 CDBDRO O=c1c2cc([N+](=O)[O-])ccc2ncn1CC[C@@H]1CC[NH2+]C1 ZINC000566183422 316504489 /nfs/dbraw/zinc/50/44/89/316504489.db2.gz DVHZVCHDDQQTNA-JTQLQIEISA-N 1 0 288.307 1.304 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000381361843 323626376 /nfs/dbraw/zinc/62/63/76/323626376.db2.gz KKLSLVDUKDNUMM-DTWKUNHWSA-N 1 0 251.286 1.369 20 5 CDBDRO COC1(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[NH2+]CC1 ZINC000384999919 323697844 /nfs/dbraw/zinc/69/78/44/323697844.db2.gz PEQYVHUUILYHOS-UHFFFAOYSA-N 1 0 293.323 1.610 20 5 CDBDRO Cc1nc(N2CC[N@@H+](C)[C@@H](C)[C@H]2C)ncc1[N+](=O)[O-] ZINC000579796543 324281018 /nfs/dbraw/zinc/28/10/18/324281018.db2.gz WMRNSWFIZWVJEW-VHSXEESVSA-N 1 0 265.317 1.222 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000582906186 325067383 /nfs/dbraw/zinc/06/73/83/325067383.db2.gz LAQGPWFTPQAPET-MNOVXSKESA-N 1 0 292.339 1.385 20 5 CDBDRO CC(C)(C)[NH2+]CCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943221 518755411 /nfs/dbraw/zinc/75/54/11/518755411.db2.gz AXKJVTVLICJLGG-UHFFFAOYSA-N 1 0 279.340 1.989 20 5 CDBDRO CC(C)(NC(=O)[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000236673930 519314103 /nfs/dbraw/zinc/31/41/03/519314103.db2.gz SBNVUUIJLGIPOB-JTQLQIEISA-N 1 0 277.324 1.556 20 5 CDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[NH2+]C1 ZINC000417935197 534472461 /nfs/dbraw/zinc/47/24/61/534472461.db2.gz GDKNYUVURGBYAD-LBPRGKRZSA-N 1 0 292.339 1.189 20 5 CDBDRO COC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000183484660 522355211 /nfs/dbraw/zinc/35/52/11/522355211.db2.gz PPWCNHFWEGCASW-ZIAGYGMSSA-N 1 0 280.324 1.643 20 5 CDBDRO COC[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000181566156 522739797 /nfs/dbraw/zinc/73/97/97/522739797.db2.gz WBDVDDILGXEQPN-LBPRGKRZSA-N 1 0 280.324 1.988 20 5 CDBDRO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000070076507 524486992 /nfs/dbraw/zinc/48/69/92/524486992.db2.gz RYEPPSAHHLLEHE-QWRGUYRKSA-N 1 0 277.324 1.346 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000070145347 524495690 /nfs/dbraw/zinc/49/56/90/524495690.db2.gz UTVWFVGJRRTIOL-APPZFPTMSA-N 1 0 269.326 1.466 20 5 CDBDRO C[C@@H](C[N@H+](C)CCn1cc([N+](=O)[O-])cn1)c1nccs1 ZINC000183962596 524575017 /nfs/dbraw/zinc/57/50/17/524575017.db2.gz MVXZLHJGVLSWEF-JTQLQIEISA-N 1 0 295.368 1.983 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000235671456 524799107 /nfs/dbraw/zinc/79/91/07/524799107.db2.gz ZYAQNBIAMXGDPA-ONGXEEELSA-N 1 0 278.312 1.857 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000228604998 524851454 /nfs/dbraw/zinc/85/14/54/524851454.db2.gz LWQOHZNCWOVWHT-GUBZILKMSA-N 1 0 265.313 1.755 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000226780783 524859043 /nfs/dbraw/zinc/85/90/43/524859043.db2.gz QWRRTZHUWJWSKI-YUMQZZPRSA-N 1 0 256.331 1.615 20 5 CDBDRO Cc1ccc(NC(=O)[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000062889694 525228412 /nfs/dbraw/zinc/22/84/12/525228412.db2.gz IPGGUPVAFXPXGJ-CYBMUJFWSA-N 1 0 263.297 1.841 20 5 CDBDRO C[C@@H](NC(=O)[C@]1(C)CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000062894160 525303241 /nfs/dbraw/zinc/30/32/41/525303241.db2.gz IVTXQCPHEPNYED-QMTHXVAHSA-N 1 0 277.324 1.772 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCCC[NH2+]1 ZINC000052813036 525576664 /nfs/dbraw/zinc/57/66/64/525576664.db2.gz FEKHNPNGJUMTAV-SNVBAGLBSA-N 1 0 250.302 1.852 20 5 CDBDRO C[C@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000069136978 525610593 /nfs/dbraw/zinc/61/05/93/525610593.db2.gz SDXDCQCJQZMINU-JQWIXIFHSA-N 1 0 298.364 1.823 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH2+]C1CC1 ZINC000054265398 526072001 /nfs/dbraw/zinc/07/20/01/526072001.db2.gz PEYNFKDXDSNTKU-UHFFFAOYSA-N 1 0 263.297 1.385 20 5 CDBDRO C[N@@H+]1CC[C@H](Cn2cc([N+](=O)[O-])c(C3CC3)n2)C1 ZINC000436213165 536477735 /nfs/dbraw/zinc/47/77/35/536477735.db2.gz XVDBOGUOPOBVSI-VIFPVBQESA-N 1 0 250.302 1.620 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]12 ZINC000185038044 527367943 /nfs/dbraw/zinc/36/79/43/527367943.db2.gz VYNGCKSSQYESPV-XTWCZFFVSA-N 1 0 293.298 1.543 20 5 CDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000184976305 527372015 /nfs/dbraw/zinc/37/20/15/527372015.db2.gz YGXMPUJNZAPKNG-CYZMBNFOSA-N 1 0 275.308 1.404 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](CO)c2ccccc2)n1 ZINC000183636721 527406518 /nfs/dbraw/zinc/40/65/18/527406518.db2.gz CVTZGCANWSCAMP-GFCCVEGCSA-N 1 0 276.296 1.115 20 5 CDBDRO Cc1nn(C)c(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000236613032 527600393 /nfs/dbraw/zinc/60/03/93/527600393.db2.gz PESNQNXQTKYHFM-SNVBAGLBSA-N 1 0 297.359 1.082 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@@H](C)C2)c1 ZINC000422837845 535425735 /nfs/dbraw/zinc/42/57/35/535425735.db2.gz NEUSJQBYWDRRHX-JTQLQIEISA-N 1 0 293.323 1.427 20 5 CDBDRO C[NH2+][C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000261762332 536362515 /nfs/dbraw/zinc/36/25/15/536362515.db2.gz NCQYJKMKEWTFMW-SNVBAGLBSA-N 1 0 267.304 1.918 20 5 CDBDRO COc1ccc(C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262842798 536725513 /nfs/dbraw/zinc/72/55/13/536725513.db2.gz XPABOMLDOZRYQJ-UWVGGRQHSA-N 1 0 293.323 1.426 20 5 CDBDRO Cc1c(C[NH2+][C@@H](C)CC(N)=O)cccc1[N+](=O)[O-] ZINC000136122378 538716604 /nfs/dbraw/zinc/71/66/04/538716604.db2.gz ASYYNBXCSUXHFV-QMMMGPOBSA-N 1 0 251.286 1.257 20 5 CDBDRO Cc1nn(CN2CCC(C[NH+](C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000738076150 576036303 /nfs/dbraw/zinc/03/63/03/576036303.db2.gz MAYJRNIAFLAXAQ-UHFFFAOYSA-N 1 0 295.387 1.639 20 5 CDBDRO Cc1nccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000749678444 576957171 /nfs/dbraw/zinc/95/71/71/576957171.db2.gz SADPNWHIJNZQGI-AWEZNQCLSA-N 1 0 288.307 1.516 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](CCCO)C2CC2)c1 ZINC000750074570 576973809 /nfs/dbraw/zinc/97/38/09/576973809.db2.gz IHASMJBYMWUTJE-CQSZACIVSA-N 1 0 280.324 1.475 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@@H](C)[NH+](C)C ZINC000892031794 617425784 /nfs/dbraw/zinc/42/57/84/617425784.db2.gz OOEVUOAVKPXVGZ-MRVPVSSYSA-N 1 0 254.290 1.360 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000892674800 617581369 /nfs/dbraw/zinc/58/13/69/617581369.db2.gz YQHOJXMRRHGCJI-VHSXEESVSA-N 1 0 280.328 1.893 20 5 CDBDRO C[N@@H+]1C[C@H]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893936082 618195585 /nfs/dbraw/zinc/19/55/85/618195585.db2.gz VEFSWYLUQUCHCZ-NOZJJQNGSA-N 1 0 292.295 1.643 20 5 CDBDRO C[N@@H+]1C[C@@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893941177 618205066 /nfs/dbraw/zinc/20/50/66/618205066.db2.gz RNICULWTRHKXQU-TVQRCGJNSA-N 1 0 265.288 1.874 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000893964377 618225417 /nfs/dbraw/zinc/22/54/17/618225417.db2.gz PYAWEBLHWSEFGG-AWEZNQCLSA-N 1 0 292.339 1.530 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1COCO1 ZINC000894870167 619111525 /nfs/dbraw/zinc/11/15/25/619111525.db2.gz IVRGPCUVPKBDNN-OGOUPESXSA-N 1 0 264.281 1.571 20 5 CDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000137338010 619750981 /nfs/dbraw/zinc/75/09/81/619750981.db2.gz DCQVVKYACMQGSP-LBPRGKRZSA-N 1 0 292.339 1.128 20 5 CDBDRO C[NH+](C)C(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000040800656 621595505 /nfs/dbraw/zinc/59/55/05/621595505.db2.gz NVYFUGGOEFUZDL-UHFFFAOYSA-N 1 0 283.303 1.804 20 5 CDBDRO Cc1ccc(-c2cnc(N3CC[NH2+]CC3)cn2)cc1[N+](=O)[O-] ZINC000899323318 622174733 /nfs/dbraw/zinc/17/47/33/622174733.db2.gz GYMCVKPNLALPIN-UHFFFAOYSA-N 1 0 299.334 1.770 20 5 CDBDRO O=[N+]([O-])CCNC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000899860604 622486900 /nfs/dbraw/zinc/48/69/00/622486900.db2.gz SGNKKNLMQILOGT-CQSZACIVSA-N 1 0 263.341 1.690 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000899861194 622487353 /nfs/dbraw/zinc/48/73/53/622487353.db2.gz WVJURGJCMLFQNG-CQSZACIVSA-N 1 0 297.330 1.065 20 5 CDBDRO CC(C)Oc1nc(N2CC[C@@H](CC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000900376190 622951276 /nfs/dbraw/zinc/95/12/76/622951276.db2.gz SZTAIPFNADFXGM-LLVKDONJSA-N 1 0 294.355 1.952 20 5 CDBDRO O=[N+]([O-])c1c(N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)nc2ccccn21 ZINC000900428184 623040570 /nfs/dbraw/zinc/04/05/70/623040570.db2.gz NWBAQWDNHJWNAP-KXUCPTDWSA-N 1 0 273.296 1.547 20 5 CDBDRO Cc1nn(CN2CC[N@@H+](C)C[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000902544515 624899448 /nfs/dbraw/zinc/89/94/48/624899448.db2.gz XZVQQVXKIKICCL-ZDUSSCGKSA-N 1 0 295.387 1.719 20 5 CDBDRO [NH3+][C@H](CNCc1ccccc1[N+](=O)[O-])CC(F)F ZINC000903923251 626148070 /nfs/dbraw/zinc/14/80/70/626148070.db2.gz OVJPVKZCZYGXJS-VIFPVBQESA-N 1 0 259.256 1.667 20 5 CDBDRO CCC(=O)Nc1cccc(CNCC[N+](=O)[O-])c1 ZINC000905051398 626387067 /nfs/dbraw/zinc/38/70/67/626387067.db2.gz VJTKVXDGVOIJRK-UHFFFAOYSA-N 1 0 251.286 1.401 20 5 CDBDRO COc1ccccc1N1CC[C@@H](C[NH2+]CC[N+](=O)[O-])C1 ZINC000905078673 626393062 /nfs/dbraw/zinc/39/30/62/626393062.db2.gz FRMNHTBGWJVNQN-LBPRGKRZSA-N 1 0 279.340 1.388 20 5 CDBDRO O=[N+]([O-])CCNC1CC[NH+](CC2CCCCC2)CC1 ZINC000905069058 626615706 /nfs/dbraw/zinc/61/57/06/626615706.db2.gz BFYTWPCCWBGHRV-UHFFFAOYSA-N 1 0 269.389 1.897 20 5 CDBDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905119119 626630613 /nfs/dbraw/zinc/63/06/13/626630613.db2.gz ZYNUXUIBRRJOSK-JTQLQIEISA-N 1 0 273.333 1.252 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]CC[N+](=O)[O-])cc1OC ZINC000905094144 626636090 /nfs/dbraw/zinc/63/60/90/626636090.db2.gz DEKZZSFAPCKDDG-SNVBAGLBSA-N 1 0 268.313 1.501 20 5 CDBDRO COc1ccc2c(c1)CC[C@H]([NH2+]CC[N+](=O)[O-])C2 ZINC000905200944 626688719 /nfs/dbraw/zinc/68/87/19/626688719.db2.gz AGOBIPJCNLYQKS-LBPRGKRZSA-N 1 0 250.298 1.419 20 5 CDBDRO O=[N+]([O-])CCNC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000905244678 626701580 /nfs/dbraw/zinc/70/15/80/626701580.db2.gz RNFAGQLLOCPSPC-ZDUSSCGKSA-N 1 0 255.362 1.650 20 5 CDBDRO COc1ccc(C2=NO[C@H](CNCC[N+](=O)[O-])C2)cc1F ZINC000905256000 626707812 /nfs/dbraw/zinc/70/78/12/626707812.db2.gz WSEVVHMFIUTICT-JTQLQIEISA-N 1 0 297.286 1.194 20 5 CDBDRO CC[C@@H](C)[NH2+][C@H](CNCC[N+](=O)[O-])c1ccco1 ZINC000905294826 626723978 /nfs/dbraw/zinc/72/39/78/626723978.db2.gz LIJLVARBGUMTSH-GHMZBOCLSA-N 1 0 255.318 1.575 20 5 CDBDRO CN1CC[N@H+](C)Cc2ccc(NCC[N+](=O)[O-])cc21 ZINC000905330029 626771402 /nfs/dbraw/zinc/77/14/02/626771402.db2.gz OFSDCERJUXKVLK-UHFFFAOYSA-N 1 0 264.329 1.257 20 5 CDBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])[C@@H](O)c1c(F)cccc1F ZINC000905364099 626783957 /nfs/dbraw/zinc/78/39/57/626783957.db2.gz HIAKMBKQENBSED-CMPLNLGQSA-N 1 0 274.267 1.643 20 5 CDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912916355 630285744 /nfs/dbraw/zinc/28/57/44/630285744.db2.gz WJRBIKVKOKLUAW-LLVKDONJSA-N 1 0 293.298 1.654 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)C[C@H](C)[NH3+] ZINC000877105431 630616229 /nfs/dbraw/zinc/61/62/29/630616229.db2.gz PBHBKQVFEHFKGV-JTQLQIEISA-N 1 0 265.313 1.631 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1N[C@H]1CC[N@H+](C)C1 ZINC001167275791 1158555301 /nfs/dbraw/zinc/55/53/01/1158555301.db2.gz ZNZXYQXAKXVXFN-QMMMGPOBSA-N 1 0 252.274 1.114 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]CCN2CCC2)c([N+](=O)[O-])c1 ZINC001170317916 1162336063 /nfs/dbraw/zinc/33/60/63/1162336063.db2.gz MDXMBFYCSFNTMT-GFCCVEGCSA-N 1 0 293.367 1.830 20 5 CDBDRO CCOc1nc(N2CCC[C@H]([NH3+])[C@@H]2C)ccc1[N+](=O)[O-] ZINC001157745580 1162387684 /nfs/dbraw/zinc/38/76/84/1162387684.db2.gz NZLJSZLOZZALAS-UWVGGRQHSA-N 1 0 280.328 1.705 20 5 CDBDRO CCC1(Nc2ncnc3cc([N+](=O)[O-])ccc32)C[NH2+]C1 ZINC001157778848 1162415040 /nfs/dbraw/zinc/41/50/40/1162415040.db2.gz ACPSKJSWMZXEDT-UHFFFAOYSA-N 1 0 273.296 1.702 20 5 CDBDRO CN(CC[NH3+])CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC001170497024 1162635966 /nfs/dbraw/zinc/63/59/66/1162635966.db2.gz BJXRENSKSMFFKW-UHFFFAOYSA-N 1 0 289.339 1.445 20 5 CDBDRO O=[N+]([O-])c1ccnc(NCC23CC[NH+](CC2)CC3)c1 ZINC001158823999 1163617133 /nfs/dbraw/zinc/61/71/33/1163617133.db2.gz IUVQBLSZJWCSIC-UHFFFAOYSA-N 1 0 262.313 1.888 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)c2cccc(F)c2)c1 ZINC000819176754 1164197155 /nfs/dbraw/zinc/19/71/55/1164197155.db2.gz NANBVUFWSSGASB-ZDUSSCGKSA-N 1 0 294.286 1.254 20 5 CDBDRO CC(C)[NH+]1CCC(NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000822231294 1164226291 /nfs/dbraw/zinc/22/62/91/1164226291.db2.gz KBPUJUCDTXDDJM-UHFFFAOYSA-N 1 0 285.388 1.811 20 5 CDBDRO CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000228393011 1164458822 /nfs/dbraw/zinc/45/88/22/1164458822.db2.gz RYMWUZZJBHLJJH-CQSZACIVSA-N 1 0 291.351 1.738 20 5 CDBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000794578321 1164497449 /nfs/dbraw/zinc/49/74/49/1164497449.db2.gz YBSSDGPPTLFJAU-JQWIXIFHSA-N 1 0 295.314 1.738 20 5 CDBDRO COCC[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000052808104 1166816983 /nfs/dbraw/zinc/81/69/83/1166816983.db2.gz NEFWPUAOTUVKSN-CABZTGNLSA-N 1 0 281.312 1.136 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC001573911113 1170825082 /nfs/dbraw/zinc/82/50/82/1170825082.db2.gz ZBJPKATVKYZSIJ-YGRLFVJLSA-N 1 0 290.323 1.575 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC001578236918 1171843802 /nfs/dbraw/zinc/84/38/02/1171843802.db2.gz RXEPZBYQLGPKHG-OLZOCXBDSA-N 1 0 291.351 1.702 20 5 CDBDRO C[C@H]1[NH2+]CC[C@@H]1NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001579500457 1172200984 /nfs/dbraw/zinc/20/09/84/1172200984.db2.gz FUTOWZVXWJVTCS-SKDRFNHKSA-N 1 0 295.314 1.533 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1[C@@H](C[NH3+])C1(F)F ZINC001579577114 1172214753 /nfs/dbraw/zinc/21/47/53/1172214753.db2.gz HVRMGZRZLHWIPV-LDYMZIIASA-N 1 0 299.277 1.990 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NCCC2=CC[NH2+]CC2)n1 ZINC001579642341 1172233066 /nfs/dbraw/zinc/23/30/66/1172233066.db2.gz AVQGKNGXDMJEAH-UHFFFAOYSA-N 1 0 290.323 1.338 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]C[C@H]1F ZINC001579734348 1172251031 /nfs/dbraw/zinc/25/10/31/1172251031.db2.gz PKSZMJLSBRPYAE-VXGBXAGGSA-N 1 0 281.287 1.333 20 5 CDBDRO O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC001580711339 1172519328 /nfs/dbraw/zinc/51/93/28/1172519328.db2.gz NWOKVBHNQKZXTI-PFZYVWIYSA-N 1 0 297.261 1.240 20 5 CDBDRO O=[N+]([O-])CCN[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC001580873038 1172556713 /nfs/dbraw/zinc/55/67/13/1172556713.db2.gz OENVBAWYGYXULG-CHWSQXEVSA-N 1 0 267.304 1.138 20 5 CDBDRO O=[N+]([O-])c1cnc(N2C[C@H]3CC[NH2+]C[C@H]32)c(Cl)c1 ZINC001580875169 1172558734 /nfs/dbraw/zinc/55/87/34/1172558734.db2.gz CDOPVHYSBJXWBK-GMSGAONNSA-N 1 0 268.704 1.441 20 5 CDBDRO C[C@H]1CC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001603912898 1175683020 /nfs/dbraw/zinc/68/30/20/1175683020.db2.gz UBHDOEWFUUYGPR-VIFPVBQESA-N 1 0 288.311 1.617 20 5 CDBDRO COc1ccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC000504224709 717183326 /nfs/dbraw/zinc/18/33/26/717183326.db2.gz HWQYXWJGKLQQAX-CYBMUJFWSA-N 1 0 282.360 1.196 20 5 CDBDRO COc1cc(N2C[C@H](C)[N@H+](C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC001164639331 719187780 /nfs/dbraw/zinc/18/77/80/719187780.db2.gz RSYDDPDERVGKBX-VHSXEESVSA-N 1 0 280.328 1.527 20 5 CDBDRO CC[NH+](CC)C1CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001165052517 722000485 /nfs/dbraw/zinc/00/04/85/722000485.db2.gz SMKYWWYQFKJMNV-UHFFFAOYSA-N 1 0 294.355 1.539 20 5 CDBDRO CCC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001153990253 1165776786 /nfs/dbraw/zinc/77/67/86/1165776786.db2.gz XNKKMJRVHOZWNO-UHFFFAOYSA-N 1 0 265.313 1.601 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1OC[C@H]1CC[NH2+]C1)OCCO2 ZINC000051889217 1166752971 /nfs/dbraw/zinc/75/29/71/1166752971.db2.gz OAHHHKKAVNTKFA-VIFPVBQESA-N 1 0 280.280 1.354 20 5 CDBDRO CC1([NH3+])CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000843467509 818021330 /nfs/dbraw/zinc/02/13/30/818021330.db2.gz FPOUVEMARPEMFR-DAXSKMNVSA-N 1 0 289.335 1.948 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCn3ccnc32)c1 ZINC000931521058 818037881 /nfs/dbraw/zinc/03/78/81/818037881.db2.gz DEVVKPJXABTELT-GFCCVEGCSA-N 1 0 274.280 1.345 20 5 CDBDRO C[NH2+]C[C@H](C)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000853248172 818238069 /nfs/dbraw/zinc/23/80/69/818238069.db2.gz CHCWGGKQNLCQPI-QMMMGPOBSA-N 1 0 257.721 1.946 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000877592055 818298834 /nfs/dbraw/zinc/29/88/34/818298834.db2.gz KRQHCYIZIVQFKQ-DOMZBBRYSA-N 1 0 294.351 1.387 20 5 CDBDRO Cn1c(C(=O)OCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000800123717 818335829 /nfs/dbraw/zinc/33/58/29/818335829.db2.gz LZVHCZQIIJNTDC-UHFFFAOYSA-N 1 0 295.339 1.966 20 5 CDBDRO C[NH+](C)CC1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885958038 818350783 /nfs/dbraw/zinc/35/07/83/818350783.db2.gz CHJQDQKXJJWUGW-UHFFFAOYSA-N 1 0 278.356 1.763 20 5 CDBDRO COCC(C)(C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819329341 818387617 /nfs/dbraw/zinc/38/76/17/818387617.db2.gz UNWAJTUYIALADJ-CYBMUJFWSA-N 1 0 282.340 1.890 20 5 CDBDRO Cc1sc(C(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000884352459 818411040 /nfs/dbraw/zinc/41/10/40/818411040.db2.gz IZZLZZYTZVQLON-VHSXEESVSA-N 1 0 283.353 1.820 20 5 CDBDRO Cc1nn(C)c(C(=O)OCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000800149543 818425479 /nfs/dbraw/zinc/42/54/79/818425479.db2.gz PEZWYQKABWNPQM-UHFFFAOYSA-N 1 0 296.327 1.279 20 5 CDBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N1CC[NH2+]CC1 ZINC000311012226 818540980 /nfs/dbraw/zinc/54/09/80/818540980.db2.gz RHVDAMWFZPAWPF-UHFFFAOYSA-N 1 0 257.240 1.942 20 5 CDBDRO COC[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886011290 818601519 /nfs/dbraw/zinc/60/15/19/818601519.db2.gz XXBIPZWUEZWKNG-LLVKDONJSA-N 1 0 265.313 1.848 20 5 CDBDRO CC1(C)C[NH2+]CC[C@@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886839959 818642625 /nfs/dbraw/zinc/64/26/25/818642625.db2.gz PPFWIIDQWKTKTP-NSHDSACASA-N 1 0 264.329 1.468 20 5 CDBDRO C[C@H](CCNc1cc(N)ccc1[N+](=O)[O-])[NH+](C)C ZINC000853799082 818687544 /nfs/dbraw/zinc/68/75/44/818687544.db2.gz NZLJRXBYPAOCDS-SECBINFHSA-N 1 0 252.318 1.929 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2(CO)CCC2)c1 ZINC000843076192 818708591 /nfs/dbraw/zinc/70/85/91/818708591.db2.gz SNOWNPXDERHNDV-CYBMUJFWSA-N 1 0 280.324 1.380 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]([NH3+])C2CC2)c1C ZINC000884242131 818739567 /nfs/dbraw/zinc/73/95/67/818739567.db2.gz MLKKZJRUVFXVPU-NSHDSACASA-N 1 0 277.324 1.679 20 5 CDBDRO Nc1ccc(C(=O)NCCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000843505166 818782822 /nfs/dbraw/zinc/78/28/22/818782822.db2.gz CHGUIEOMTHBGMC-UHFFFAOYSA-N 1 0 280.328 1.426 20 5 CDBDRO CCCCCCNC(=O)[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929423143 818833801 /nfs/dbraw/zinc/83/38/01/818833801.db2.gz FEIBOWDOBOKGRU-CYBMUJFWSA-N 1 0 285.388 1.672 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@H](F)C2)c1 ZINC000830480767 818870236 /nfs/dbraw/zinc/87/02/36/818870236.db2.gz SYDZTBQKNDDWEV-JQWIXIFHSA-N 1 0 254.261 1.672 20 5 CDBDRO C[C@H]1COC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000932499691 818877165 /nfs/dbraw/zinc/87/71/65/818877165.db2.gz JRPIHAUJMGGSJK-QWRGUYRKSA-N 1 0 266.297 1.598 20 5 CDBDRO Cc1c(C[NH2+]C[C@]2(O)CCO[C@H]2C)cccc1[N+](=O)[O-] ZINC000227141468 818918066 /nfs/dbraw/zinc/91/80/66/818918066.db2.gz SHRXCQYZAKTLBL-SMDDNHRTSA-N 1 0 280.324 1.533 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H](C)[NH3+] ZINC000310862367 818965301 /nfs/dbraw/zinc/96/53/01/818965301.db2.gz CWXKPYGCVVQZHE-SECBINFHSA-N 1 0 251.286 1.322 20 5 CDBDRO C[C@@H](CCO)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844446030 818978629 /nfs/dbraw/zinc/97/86/29/818978629.db2.gz BKBPPJHDOQVROL-GXFFZTMASA-N 1 0 268.313 1.331 20 5 CDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000843345089 819060916 /nfs/dbraw/zinc/06/09/16/819060916.db2.gz RJBCDKXKBXVYIF-SSDOTTSWSA-N 1 0 296.283 1.231 20 5 CDBDRO Cn1ccnc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000105909065 819084539 /nfs/dbraw/zinc/08/45/39/819084539.db2.gz VFMVDVBFMLTTGG-GFCCVEGCSA-N 1 0 276.296 1.152 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])n1C)C1CCC([NH3+])CC1 ZINC000091844999 819084874 /nfs/dbraw/zinc/08/48/74/819084874.db2.gz CJTGDRUELQCVNS-UHFFFAOYSA-N 1 0 280.328 1.275 20 5 CDBDRO C[C@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@]1(C)CO ZINC000886286006 819119115 /nfs/dbraw/zinc/11/91/15/819119115.db2.gz YQCCFVRTKZPXGD-GXFFZTMASA-N 1 0 265.313 1.440 20 5 CDBDRO O=C(N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063945 819181450 /nfs/dbraw/zinc/18/14/50/819181450.db2.gz QJPWLFAXQNDQNI-XJFOESAGSA-N 1 0 293.367 1.389 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CO)CCCC2)c([N+](=O)[O-])c1 ZINC000090359796 819262829 /nfs/dbraw/zinc/26/28/29/819262829.db2.gz CQZUSLDQJKOHEO-UHFFFAOYSA-N 1 0 295.295 1.898 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCCCC[C@H]2CO)cc1 ZINC000847014489 819306139 /nfs/dbraw/zinc/30/61/39/819306139.db2.gz JWYBFLDGUVLZMH-LSDHHAIUSA-N 1 0 294.351 1.865 20 5 CDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@]1(F)CC[NH2+]C1 ZINC000831465260 819310150 /nfs/dbraw/zinc/31/01/50/819310150.db2.gz GWJVNNVROIHGQU-LBPRGKRZSA-N 1 0 293.258 1.111 20 5 CDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000715082095 819335893 /nfs/dbraw/zinc/33/58/93/819335893.db2.gz OAAUWDSDVSFBLM-KHQOXSAWSA-N 1 0 275.308 1.462 20 5 CDBDRO COC(=O)[C@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819368455 819395077 /nfs/dbraw/zinc/39/50/77/819395077.db2.gz GHLHAJRTRGLPPA-NTZNESFSSA-N 1 0 294.307 1.169 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000876818375 819395717 /nfs/dbraw/zinc/39/57/17/819395717.db2.gz SUVMDWCFQXDOAZ-STQMWFEESA-N 1 0 275.352 1.863 20 5 CDBDRO [NH3+][C@@H](CC(=O)NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000137386808 819509871 /nfs/dbraw/zinc/50/98/71/819509871.db2.gz RQPKKSPFSFGDFD-NSHDSACASA-N 1 0 263.297 1.338 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CCS(=O)(=O)CC1 ZINC000036330981 819518031 /nfs/dbraw/zinc/51/80/31/819518031.db2.gz CNMIYRRJKXZIPS-UHFFFAOYSA-N 1 0 284.337 1.262 20 5 CDBDRO C[N@@H+]1CC[C@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000928565162 819535314 /nfs/dbraw/zinc/53/53/14/819535314.db2.gz KKFUVTQHAVUCPF-NSHDSACASA-N 1 0 293.323 1.184 20 5 CDBDRO CCOCC[N@H+](CC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154174890 819614907 /nfs/dbraw/zinc/61/49/07/819614907.db2.gz HKHABDBDIZMYNF-AWEZNQCLSA-N 1 0 282.340 1.987 20 5 CDBDRO C[NH+](C)C1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000119667486 819727505 /nfs/dbraw/zinc/72/75/05/819727505.db2.gz VMLYJQXLPRXDIR-UHFFFAOYSA-N 1 0 291.351 1.738 20 5 CDBDRO CCCCNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867948945 819763394 /nfs/dbraw/zinc/76/33/94/819763394.db2.gz JGHYGDOEEXQCSN-CYBMUJFWSA-N 1 0 265.313 1.685 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H](C[NH+](C)C)C1 ZINC000807950706 819828818 /nfs/dbraw/zinc/82/88/18/819828818.db2.gz YOAAHRIQQCIFPB-LBPRGKRZSA-N 1 0 295.387 1.898 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCSCC2)cc1 ZINC000776278808 819852460 /nfs/dbraw/zinc/85/24/60/819852460.db2.gz VZIAWCJSBCJRBU-LBPRGKRZSA-N 1 0 268.338 1.677 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886238525 819854941 /nfs/dbraw/zinc/85/49/41/819854941.db2.gz BMLBRPMPQICKRV-CYBMUJFWSA-N 1 0 278.356 1.904 20 5 CDBDRO [NH3+][C@H](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000109504626 819871696 /nfs/dbraw/zinc/87/16/96/819871696.db2.gz GBBBGOBIQVBDNI-LLVKDONJSA-N 1 0 274.280 1.925 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC(NC3C[NH2+]C3)CC2)cc1 ZINC000817955177 819891663 /nfs/dbraw/zinc/89/16/63/819891663.db2.gz RUERATXQEMYYGX-UHFFFAOYSA-N 1 0 276.340 1.125 20 5 CDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CC2CCCC2)CC1 ZINC000981137347 819926560 /nfs/dbraw/zinc/92/65/60/819926560.db2.gz QNCAQCQOVONFCE-ZIAGYGMSSA-N 1 0 295.383 1.376 20 5 CDBDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000821328254 820079897 /nfs/dbraw/zinc/07/98/97/820079897.db2.gz GICSQOSRZAOULG-OKILXGFUSA-N 1 0 289.335 1.505 20 5 CDBDRO CCc1cc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000819054612 820226122 /nfs/dbraw/zinc/22/61/22/820226122.db2.gz QRXJGNBPBJCZBO-CQSZACIVSA-N 1 0 290.323 1.704 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CC[NH2+]CC2)cc1Cl ZINC000261775892 820306393 /nfs/dbraw/zinc/30/63/93/820306393.db2.gz DZPZGUYDMCHIJS-UHFFFAOYSA-N 1 0 255.705 1.653 20 5 CDBDRO Cc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)nn1 ZINC000840946765 820334680 /nfs/dbraw/zinc/33/46/80/820334680.db2.gz UCYYWESCNGNJRP-UHFFFAOYSA-N 1 0 287.323 1.659 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000931040549 820397638 /nfs/dbraw/zinc/39/76/38/820397638.db2.gz DWGITKTVYPAKEH-UGFHNGPFSA-N 1 0 293.367 1.653 20 5 CDBDRO C[C@H]1CCC[C@](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])([NH+](C)C)C1 ZINC000839570604 820515932 /nfs/dbraw/zinc/51/59/32/820515932.db2.gz GLRVLVQCGOUDTA-SFTQSGBHSA-N 1 0 283.372 1.278 20 5 CDBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000839195530 820523829 /nfs/dbraw/zinc/52/38/29/820523829.db2.gz BTQOQUYEAGJRGA-YGRLFVJLSA-N 1 0 290.323 1.713 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[NH2+]CC1CC1)CC2 ZINC000843495642 820546329 /nfs/dbraw/zinc/54/63/29/820546329.db2.gz VFJGQCWFXSEMHL-UHFFFAOYSA-N 1 0 289.335 1.792 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCSC2)c1 ZINC000819274245 820556532 /nfs/dbraw/zinc/55/65/32/820556532.db2.gz XJPXOWWUEKWEPH-MFKMUULPSA-N 1 0 282.365 1.971 20 5 CDBDRO O=C(NCC[NH2+]C1CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000054265668 820664398 /nfs/dbraw/zinc/66/43/98/820664398.db2.gz KDNZXMYXGDBVBW-UHFFFAOYSA-N 1 0 283.715 1.730 20 5 CDBDRO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840888912 820698693 /nfs/dbraw/zinc/69/86/93/820698693.db2.gz DYXZJDWOFLCVFH-UWVGGRQHSA-N 1 0 294.355 1.741 20 5 CDBDRO CCC1(O)CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776589463 820847479 /nfs/dbraw/zinc/84/74/79/820847479.db2.gz SKWYCEJFHJEUAT-CQSZACIVSA-N 1 0 294.351 1.865 20 5 CDBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839535926 820852609 /nfs/dbraw/zinc/85/26/09/820852609.db2.gz KQDZKIVDNHBNLZ-WUHRBBMRSA-N 1 0 283.372 1.136 20 5 CDBDRO Cn1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1 ZINC000809734623 821046210 /nfs/dbraw/zinc/04/62/10/821046210.db2.gz LTLRORINQPSDHZ-UHFFFAOYSA-N 1 0 274.324 1.899 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000088056017 821046826 /nfs/dbraw/zinc/04/68/26/821046826.db2.gz YVJNIBYLSMECNR-GXSJLCMTSA-N 1 0 292.339 1.390 20 5 CDBDRO C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000886218126 821088677 /nfs/dbraw/zinc/08/86/77/821088677.db2.gz OGBPQQYGWGEYMU-PHIMTYICSA-N 1 0 264.329 1.514 20 5 CDBDRO CN(CC[NH3+])c1ncc(Br)cc1[N+](=O)[O-] ZINC000054419650 821271282 /nfs/dbraw/zinc/27/12/82/821271282.db2.gz KTHPSWZAOIUGLE-UHFFFAOYSA-N 1 0 275.106 1.147 20 5 CDBDRO C[C@@H]([NH2+]CCCn1cncn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815605101 821271771 /nfs/dbraw/zinc/27/17/71/821271771.db2.gz LELAHYSDZQNFAE-SNVBAGLBSA-N 1 0 290.327 1.509 20 5 CDBDRO COC(=O)CC(C)(C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000177924185 821355060 /nfs/dbraw/zinc/35/50/60/821355060.db2.gz BRKHXGWSOIZESL-UHFFFAOYSA-N 1 0 296.323 1.905 20 5 CDBDRO O=[N+]([O-])CC[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000929360421 821651641 /nfs/dbraw/zinc/65/16/41/821651641.db2.gz AWGWKOUIBWYIET-UHFFFAOYSA-N 1 0 278.352 1.987 20 5 CDBDRO O=C(CC[C@H]1CCC[NH2+]1)NCc1ccccc1[N+](=O)[O-] ZINC000261694349 821735469 /nfs/dbraw/zinc/73/54/69/821735469.db2.gz HXHCYQDDDGLSSY-GFCCVEGCSA-N 1 0 277.324 1.743 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H](C[NH+](C)C)C1 ZINC000807950705 821814196 /nfs/dbraw/zinc/81/41/96/821814196.db2.gz YOAAHRIQQCIFPB-GFCCVEGCSA-N 1 0 295.387 1.898 20 5 CDBDRO COC[C@H](O)CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873099640 821856776 /nfs/dbraw/zinc/85/67/76/821856776.db2.gz PMSNYTNQBRZNQL-GFCCVEGCSA-N 1 0 282.340 1.699 20 5 CDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC[S@](C)=O ZINC000829696773 821862728 /nfs/dbraw/zinc/86/27/28/821862728.db2.gz NTKDNZMQCAPUIS-SFHVURJKSA-N 1 0 270.354 1.448 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCOC2)c1 ZINC000819187205 821880232 /nfs/dbraw/zinc/88/02/32/821880232.db2.gz DDMZZSNWTKYJJP-PWSUYJOCSA-N 1 0 252.270 1.007 20 5 CDBDRO C[C@H]1COC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000932491014 821890472 /nfs/dbraw/zinc/89/04/72/821890472.db2.gz HBGKQKOZJMCGOO-CMPLNLGQSA-N 1 0 293.323 1.548 20 5 CDBDRO CC[NH2+]CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000818501037 822022621 /nfs/dbraw/zinc/02/26/21/822022621.db2.gz PSJHGOWBVGVUHL-SNVBAGLBSA-N 1 0 265.313 1.690 20 5 CDBDRO COCC[N@H+](CCCc1ccccc1)CC[N+](=O)[O-] ZINC000929362367 822066396 /nfs/dbraw/zinc/06/63/96/822066396.db2.gz DAENBQBHDYIFGX-UHFFFAOYSA-N 1 0 266.341 1.844 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000882958593 822094182 /nfs/dbraw/zinc/09/41/82/822094182.db2.gz FJMMFYWDVAVMHZ-SNVBAGLBSA-N 1 0 283.303 1.732 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000931040546 822279196 /nfs/dbraw/zinc/27/91/96/822279196.db2.gz DWGITKTVYPAKEH-BYCMXARLSA-N 1 0 293.367 1.653 20 5 CDBDRO [NH3+]C1(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000852906003 822304701 /nfs/dbraw/zinc/30/47/01/822304701.db2.gz LPQRBMYLTQALJS-YVMONPNESA-N 1 0 289.335 1.996 20 5 CDBDRO O=C(c1ccsc1)N1CCCN(CC[N+](=O)[O-])CC1 ZINC000791053675 822323453 /nfs/dbraw/zinc/32/34/53/822323453.db2.gz VRAWGKJWWHUTPJ-UHFFFAOYSA-N 1 0 283.353 1.173 20 5 CDBDRO [NH3+][C@H](CC(=O)N1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000843439963 822373760 /nfs/dbraw/zinc/37/37/60/822373760.db2.gz GVHGWGPEOHMPLH-LLVKDONJSA-N 1 0 275.308 1.611 20 5 CDBDRO CC(C)(CCC(=O)O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[N+](=O)[O-] ZINC000835395504 822389589 /nfs/dbraw/zinc/38/95/89/822389589.db2.gz GMVJDBKLDLOMTD-NWDGAFQWSA-N 1 0 284.356 1.992 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@H](C)[NH3+] ZINC000877107723 822434891 /nfs/dbraw/zinc/43/48/91/822434891.db2.gz KQSDFOMHTALKQB-VIFPVBQESA-N 1 0 265.313 1.631 20 5 CDBDRO Cc1nn(CN(C)CC2CC[NH+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000103462178 822514157 /nfs/dbraw/zinc/51/41/57/822514157.db2.gz OIIGSAWOJJOFPL-UHFFFAOYSA-N 1 0 295.387 1.639 20 5 CDBDRO CC[NH2+]CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817951177 822593867 /nfs/dbraw/zinc/59/38/67/822593867.db2.gz AORIJEXUWQUENG-SECBINFHSA-N 1 0 252.318 1.437 20 5 CDBDRO CC[NH+](CC)CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865397143 822646675 /nfs/dbraw/zinc/64/66/75/822646675.db2.gz MJQTXIZRIJPUCD-UHFFFAOYSA-N 1 0 285.319 1.980 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001576607926 1167665850 /nfs/dbraw/zinc/66/58/50/1167665850.db2.gz LLVOSYBHMGBJQV-WPRPVWTQSA-N 1 0 281.287 1.225 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001578441217 1167685364 /nfs/dbraw/zinc/68/53/64/1167685364.db2.gz XIKCPNCKAQVUBN-UHFFFAOYSA-N 1 0 283.303 1.472 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC2(C[NH3+])CC2)c1F ZINC001173182009 912282490 /nfs/dbraw/zinc/28/24/90/912282490.db2.gz XWIWHXYRVNWRGZ-VIFPVBQESA-N 1 0 297.330 1.754 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H]2C[C@H]2[NH3+])c1F ZINC001173190838 912286513 /nfs/dbraw/zinc/28/65/13/912286513.db2.gz HXDZPAPNBCEYLI-FXBDTBDDSA-N 1 0 283.303 1.363 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCOCC1 ZINC001173216960 912300826 /nfs/dbraw/zinc/30/08/26/912300826.db2.gz OFTLCQVDEQAYJY-ZDUSSCGKSA-N 1 0 293.367 1.448 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1COC[C@@H]1F ZINC001173228327 912321231 /nfs/dbraw/zinc/32/12/31/912321231.db2.gz JDBFBUQPHUELRQ-JIMOISOXSA-N 1 0 268.288 1.852 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CN(C2COC2)C1 ZINC001173228867 912323526 /nfs/dbraw/zinc/32/35/26/912323526.db2.gz LBMFMROHSLHQTM-LLVKDONJSA-N 1 0 291.351 1.198 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC001173229961 912327833 /nfs/dbraw/zinc/32/78/33/912327833.db2.gz WNLIKMRBEOZUIN-OSMZGAPFSA-N 1 0 282.315 1.931 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCNC(=O)C1 ZINC001173210869 912333022 /nfs/dbraw/zinc/33/30/22/912333022.db2.gz PAHPMWWPBGZVQQ-AAEUAGOBSA-N 1 0 291.351 1.642 20 5 CDBDRO COc1cc(NC(=N)SCC[NH3+])cc([N+](=O)[O-])c1C ZINC001167913303 897805830 /nfs/dbraw/zinc/80/58/30/897805830.db2.gz WPCZPOIHXHBXGX-UHFFFAOYSA-N 1 0 284.341 1.950 20 5 CDBDRO [NH3+]Cc1cnn(-c2cc(F)cc(F)c2[N+](=O)[O-])c1 ZINC001168262177 908014012 /nfs/dbraw/zinc/01/40/12/908014012.db2.gz PRAKHOCIGGJQQT-UHFFFAOYSA-N 1 0 254.196 1.517 20 5 CDBDRO O=C(OC[C@@H]1CCC[N@@H+]1Cc1ccco1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842326143 909735263 /nfs/dbraw/zinc/73/52/63/909735263.db2.gz GLKQCWAQWAQMOR-CYZMBNFOSA-N 1 0 294.307 1.452 20 5 CDBDRO CCCOCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001124444229 936316855 /nfs/dbraw/zinc/31/68/55/936316855.db2.gz IVBJRMJAOMTXER-UHFFFAOYSA-N 1 0 295.339 1.227 20 5 CDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC=CC1 ZINC001125129294 936352212 /nfs/dbraw/zinc/35/22/12/936352212.db2.gz PNJSTZHBDIGQHI-UHFFFAOYSA-N 1 0 289.335 1.767 20 5 CDBDRO [NH3+]CCCCCCCn1cccc([N+](=O)[O-])c1=O ZINC000830337994 936454910 /nfs/dbraw/zinc/45/49/10/936454910.db2.gz MYPOTLKWSATODO-UHFFFAOYSA-N 1 0 253.302 1.666 20 5 CDBDRO CC(C)[C@H]([NH3+])c1noc(-c2c([N+](=O)[O-])cnn2C)n1 ZINC000843148982 920661689 /nfs/dbraw/zinc/66/16/89/920661689.db2.gz HETGYBYLKVTFNE-ZETCQYMHSA-N 1 0 266.261 1.034 20 5 CDBDRO COc1cnc(NCC2([NH3+])CCC2)c([N+](=O)[O-])c1 ZINC001163321323 923550397 /nfs/dbraw/zinc/55/03/97/923550397.db2.gz PHAHYFMJEJKNGT-UHFFFAOYSA-N 1 0 252.274 1.292 20 5 CDBDRO CN(CC[NH3+])c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001163687064 924056008 /nfs/dbraw/zinc/05/60/08/924056008.db2.gz QZSLZDVURNOYDH-UHFFFAOYSA-N 1 0 281.703 1.586 20 5 CDBDRO C[NH2+]C1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1 ZINC001163701555 924075633 /nfs/dbraw/zinc/07/56/33/924075633.db2.gz MYMNSNIOBFGOHP-UHFFFAOYSA-N 1 0 292.673 1.596 20 5 CDBDRO [NH3+][C@H]1COC[C@H]1Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC001155352664 926763309 /nfs/dbraw/zinc/76/33/09/926763309.db2.gz DLQQXYGMSVMDMS-GXSJLCMTSA-N 1 0 274.280 1.281 20 5 CDBDRO Cc1cc(N2CC[C@@H]([NH3+])C2)nc2ccc([N+](=O)[O-])cc12 ZINC001156229106 927499862 /nfs/dbraw/zinc/49/98/62/927499862.db2.gz UFIRVTFIEQNLLO-SNVBAGLBSA-N 1 0 272.308 1.989 20 5 CDBDRO [NH3+]CCc1cnn(-c2ncc3cccc([N+](=O)[O-])c3n2)c1 ZINC001168946640 927551149 /nfs/dbraw/zinc/55/11/49/927551149.db2.gz OHFBIDKBOSIBND-UHFFFAOYSA-N 1 0 284.279 1.225 20 5 CDBDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168980668 927567642 /nfs/dbraw/zinc/56/76/42/927567642.db2.gz FKPXJCDERAWBSN-KKOKHZNYSA-N 1 0 270.329 1.363 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCOc2cccnc2)C1 ZINC001168979240 927568619 /nfs/dbraw/zinc/56/86/19/927568619.db2.gz XRBIVIWKFPRVQU-VXGBXAGGSA-N 1 0 265.313 1.495 20 5 CDBDRO COc1ccc(CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1O ZINC001168966065 927589490 /nfs/dbraw/zinc/58/94/90/927589490.db2.gz GAUDYDGQPBVNOX-QWHCGFSZSA-N 1 0 294.351 1.978 20 5 CDBDRO NC(=[NH2+])N(c1ccc(F)cc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168969885 927591794 /nfs/dbraw/zinc/59/17/94/927591794.db2.gz GFKQDHUFKMFSST-BXKDBHETSA-N 1 0 280.303 1.971 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc3c2OCCO3)C1 ZINC001168971449 927595006 /nfs/dbraw/zinc/59/50/06/927595006.db2.gz LDASCROCCAIJSN-WCQYABFASA-N 1 0 292.335 1.993 20 5 CDBDRO CC(C)Oc1cc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)ncn1 ZINC001168997539 927603758 /nfs/dbraw/zinc/60/37/58/927603758.db2.gz DBXHRZMEFBHRAI-RYUDHWBXSA-N 1 0 294.355 1.799 20 5 CDBDRO [NH3+]C[C@@H]1Cc2ccccc2CN1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169001059 927606388 /nfs/dbraw/zinc/60/63/88/927606388.db2.gz CQYRCZVEONCGBT-MAZHCROVSA-N 1 0 289.379 1.817 20 5 CDBDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@@H]1O ZINC001169006171 927607988 /nfs/dbraw/zinc/60/79/88/927607988.db2.gz FPLRALPCMXCJGD-XQHKEYJVSA-N 1 0 256.346 1.525 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(c3cnccn3)CC2)C1 ZINC001169005765 927609216 /nfs/dbraw/zinc/60/92/16/927609216.db2.gz CWSPFGLCYOMHBO-OLZOCXBDSA-N 1 0 291.355 1.044 20 5 CDBDRO CCCC[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(N)=O ZINC001169004925 927609572 /nfs/dbraw/zinc/60/95/72/927609572.db2.gz SFESRXQRVLGJHI-AXFHLTTASA-N 1 0 257.334 1.066 20 5 CDBDRO C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006381 927611755 /nfs/dbraw/zinc/61/17/55/927611755.db2.gz HGFONNCCKCABHS-NDBYEHHHSA-N 1 0 255.362 1.362 20 5 CDBDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCCC1=O ZINC001169006739 927612249 /nfs/dbraw/zinc/61/22/49/927612249.db2.gz JFWTZBWIPKLVRN-GRYCIOLGSA-N 1 0 254.330 1.733 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC3(COC3)CC2)C1 ZINC001169008726 927613548 /nfs/dbraw/zinc/61/35/48/927613548.db2.gz UJJQZEIZZQCMIK-RYUDHWBXSA-N 1 0 254.330 1.544 20 5 CDBDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@@]1(C)O ZINC001169009979 927614796 /nfs/dbraw/zinc/61/47/96/927614796.db2.gz ABMRAKAAUYSVBX-YVECIDJPSA-N 1 0 256.346 1.525 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CC3(C2)CCCCO3)C1 ZINC001169012865 927619209 /nfs/dbraw/zinc/61/92/09/927619209.db2.gz SJJHYZZFIPERHR-RYUDHWBXSA-N 1 0 254.330 1.687 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)C1 ZINC001169013991 927620611 /nfs/dbraw/zinc/62/06/11/927620611.db2.gz XLFQQNRUBFDGDV-MMWGEVLESA-N 1 0 276.283 1.398 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1c(C)cccc1[N+](=O)[O-] ZINC001168987791 927624202 /nfs/dbraw/zinc/62/42/02/927624202.db2.gz YREYRZJTOKWJFL-UHFFFAOYSA-N 1 0 261.285 1.294 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)nc2)C1 ZINC001168988314 927624452 /nfs/dbraw/zinc/62/44/52/927624452.db2.gz QVIMKMNPAAOSRI-GXSJLCMTSA-N 1 0 253.277 1.756 20 5 CDBDRO CC(C)(C)NC(=O)CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987876 927625199 /nfs/dbraw/zinc/62/51/99/927625199.db2.gz LAKWAZCYEDWTKL-QWRGUYRKSA-N 1 0 271.361 1.326 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2Oc3ccccc3O2)C1 ZINC001168988935 927627087 /nfs/dbraw/zinc/62/70/87/927627087.db2.gz VCXZOIDGFOJGPW-MNOVXSKESA-N 1 0 278.308 1.819 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)C1 ZINC001169027860 927631650 /nfs/dbraw/zinc/63/16/50/927631650.db2.gz RGALLTCLYFNSDZ-KGLIPLIRSA-N 1 0 267.373 1.459 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)C1 ZINC001169036056 927643678 /nfs/dbraw/zinc/64/36/78/927643678.db2.gz FFGOVBHBFLDOEO-IZMFDJJNSA-N 1 0 266.341 1.541 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3COC[C@@H]3C2)C1 ZINC001169040089 927654559 /nfs/dbraw/zinc/65/45/59/927654559.db2.gz XSMNURVRLUWRBK-ZDEQEGDKSA-N 1 0 254.330 1.400 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1-n1ccc([C@@H](C)[NH3+])n1 ZINC001169232678 927845796 /nfs/dbraw/zinc/84/57/96/927845796.db2.gz IJXWIUOPCFRMGS-MRVPVSSYSA-N 1 0 290.279 1.587 20 5 CDBDRO [NH3+]Cc1ccn(-c2nc(Cl)ccc2[N+](=O)[O-])c1 ZINC001169726661 928348089 /nfs/dbraw/zinc/34/80/89/928348089.db2.gz XOWJOBIFYHSKSL-UHFFFAOYSA-N 1 0 252.661 1.893 20 5 CDBDRO CC(C)(C)c1cnc(NC[C@H]2COCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001170035633 929094015 /nfs/dbraw/zinc/09/40/15/929094015.db2.gz NLBYLYWULFQAFF-NSHDSACASA-N 1 0 294.355 1.688 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H](C)CN1C ZINC000787202410 929340246 /nfs/dbraw/zinc/34/02/46/929340246.db2.gz KSDWNDHOSZGQLI-NXEZZACHSA-N 1 0 292.339 1.342 20 5 CDBDRO O=[N+]([O-])c1cccc(-c2noc(C[C@H]3COCC[NH2+]3)n2)c1 ZINC000129623918 929989216 /nfs/dbraw/zinc/98/92/16/929989216.db2.gz ZKXICBNHBVOMLN-JTQLQIEISA-N 1 0 290.279 1.176 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1c(Cl)nccc1[N+](=O)[O-] ZINC001170858606 930475887 /nfs/dbraw/zinc/47/58/87/930475887.db2.gz LPQVWNPHGNSFHU-VIFPVBQESA-N 1 0 260.681 1.112 20 5 CDBDRO C[C@H]1[C@H]([NH3+])CCCN1c1ncc(F)cc1[N+](=O)[O-] ZINC000401198765 937419336 /nfs/dbraw/zinc/41/93/36/937419336.db2.gz YMSDYIBMUPWRBI-IONNQARKSA-N 1 0 254.265 1.445 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC001170865581 930531593 /nfs/dbraw/zinc/53/15/93/930531593.db2.gz PCLJMYQLTCKRGJ-ZDUSSCGKSA-N 1 0 276.296 1.612 20 5 CDBDRO Cc1cc(F)cc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c1[N+](=O)[O-] ZINC000818602067 930732096 /nfs/dbraw/zinc/73/20/96/930732096.db2.gz BTVNYBDYSFNHQQ-UWVGGRQHSA-N 1 0 299.277 1.472 20 5 CDBDRO C[C@@H](CNC(=O)C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000887402329 931082745 /nfs/dbraw/zinc/08/27/45/931082745.db2.gz ALKOCWLAJLBQTN-JTQLQIEISA-N 1 0 265.313 1.376 20 5 CDBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)NC ZINC000825315500 931500488 /nfs/dbraw/zinc/50/04/88/931500488.db2.gz CGUBFMXBIYUVTD-JTQLQIEISA-N 1 0 285.731 1.862 20 5 CDBDRO CCOCC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001154336807 937533618 /nfs/dbraw/zinc/53/36/18/937533618.db2.gz IWTIDEKSHOZQJN-UHFFFAOYSA-N 1 0 295.339 1.227 20 5 CDBDRO Cc1noc(CN2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001118494182 937633279 /nfs/dbraw/zinc/63/32/79/937633279.db2.gz BRDRCRSUABZGBL-UHFFFAOYSA-N 1 0 282.344 1.807 20 5 CDBDRO Nc1cc(NC[C@]2(F)CCCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001155116683 937637321 /nfs/dbraw/zinc/63/73/21/937637321.db2.gz LPZGDENECFYRPA-LBPRGKRZSA-N 1 0 283.307 1.466 20 5 CDBDRO [NH3+]Cc1ccnn1-c1ncc(Cl)cc1[N+](=O)[O-] ZINC001155123953 937638235 /nfs/dbraw/zinc/63/82/35/937638235.db2.gz PHSFEOWJGRUZJH-UHFFFAOYSA-N 1 0 253.649 1.288 20 5 CDBDRO [NH3+]Cc1ccnn1-c1ncnc2cccc([N+](=O)[O-])c21 ZINC001155130583 937639709 /nfs/dbraw/zinc/63/97/09/937639709.db2.gz ZCBIIPZOIDAIMQ-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC001118788361 937666982 /nfs/dbraw/zinc/66/69/82/937666982.db2.gz IAJCRDQGIZKSEJ-QMMMGPOBSA-N 1 0 284.291 1.711 20 5 CDBDRO C[NH+](C)CCCC1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000160038678 934412963 /nfs/dbraw/zinc/41/29/63/934412963.db2.gz HJJDSVRAAAMYGN-UHFFFAOYSA-N 1 0 295.387 1.803 20 5 CDBDRO C[C@H]1COC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000688047980 934528379 /nfs/dbraw/zinc/52/83/79/934528379.db2.gz MGPDMNFNJYHFPS-GWCFXTLKSA-N 1 0 250.298 1.762 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1nc(C)cc(C)c1[N+](=O)[O-] ZINC001156039860 938313007 /nfs/dbraw/zinc/31/30/07/938313007.db2.gz XXWKXKAJLGIKKJ-UHFFFAOYSA-N 1 0 261.285 1.559 20 5 CDBDRO C[C@H]1[C@H]([NH3+])CCCN1c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001157733626 938537697 /nfs/dbraw/zinc/53/76/97/938537697.db2.gz RAIGAISBYWGHEJ-IONNQARKSA-N 1 0 281.272 1.214 20 5 CDBDRO CC(C)(C)CCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767072 938543070 /nfs/dbraw/zinc/54/30/70/938543070.db2.gz HBIMRWABURXAQZ-VXGBXAGGSA-N 1 0 285.388 1.574 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(N2CC[C@](F)(C[NH3+])C2)nc1Cl ZINC001157812351 938549876 /nfs/dbraw/zinc/54/98/76/938549876.db2.gz ADEIWXMCGPEOOX-NSHDSACASA-N 1 0 288.710 1.829 20 5 CDBDRO Cc1c(C)c(-n2cc(CC[NH3+])cn2)ncc1[N+](=O)[O-] ZINC001158100416 938583034 /nfs/dbraw/zinc/58/30/34/938583034.db2.gz HGHCWBHIIBHYPZ-UHFFFAOYSA-N 1 0 261.285 1.294 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1ncc([N+](=O)[O-])c2ccccc21 ZINC001158128425 938585777 /nfs/dbraw/zinc/58/57/77/938585777.db2.gz FRWJYBAUBCLWKP-UHFFFAOYSA-N 1 0 298.306 1.533 20 5 CDBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@H](C)[NH2+]1 ZINC001158176983 938591136 /nfs/dbraw/zinc/59/11/36/938591136.db2.gz POXDRNVTVKOHGF-YUMQZZPRSA-N 1 0 254.265 1.316 20 5 CDBDRO CCN(c1ncc([N+](=O)[O-])cc1N)[C@@H]1CCC[NH2+]C1 ZINC001158205287 938595263 /nfs/dbraw/zinc/59/52/63/938595263.db2.gz PPDZFPRYFGLCLI-SECBINFHSA-N 1 0 265.317 1.150 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CC2(C1)CCC[NH2+]C2 ZINC001159018615 938690544 /nfs/dbraw/zinc/69/05/44/938690544.db2.gz VBBUQSNFACUJNL-UHFFFAOYSA-N 1 0 282.731 1.833 20 5 CDBDRO [NH3+]Cc1ccc2nnn(-c3cccc([N+](=O)[O-])n3)c2c1 ZINC001159026299 938692701 /nfs/dbraw/zinc/69/27/01/938692701.db2.gz GRHQWTFLCBYJBI-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001159488343 938731691 /nfs/dbraw/zinc/73/16/91/938731691.db2.gz CIUMYIWSUTWJNP-OIBJUYFYSA-N 1 0 286.719 1.432 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@@H]1C[NH2+]CCO1 ZINC001159490431 938732937 /nfs/dbraw/zinc/73/29/37/938732937.db2.gz WINIQNLYTWJMRA-ONGXEEELSA-N 1 0 266.301 1.087 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1NC[C@H](O)c1ccco1)C[NH2+]C2 ZINC001162261064 938968777 /nfs/dbraw/zinc/96/87/77/938968777.db2.gz KWOYMOLGZSSJJJ-ZDUSSCGKSA-N 1 0 289.291 1.937 20 5 CDBDRO Cn1cc([N+](=O)[O-])c(N2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC001162543935 939081474 /nfs/dbraw/zinc/08/14/74/939081474.db2.gz GVGMVODBRJEOBK-GFCCVEGCSA-N 1 0 293.371 1.641 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(NC[C@]2(F)CCCC[NH2+]C2)n1 ZINC001162572419 939090451 /nfs/dbraw/zinc/09/04/51/939090451.db2.gz FFYFPMPIAUSWSD-ZDUSSCGKSA-N 1 0 298.318 1.892 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1NC[C@]1(F)CCCC[NH2+]C1 ZINC001162580117 939092791 /nfs/dbraw/zinc/09/27/91/939092791.db2.gz SDNKLLPPDBVPMQ-ZDUSSCGKSA-N 1 0 297.334 1.925 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1N[C@@H]1COC[C@@H]1[NH3+] ZINC001162921178 939161551 /nfs/dbraw/zinc/16/15/51/939161551.db2.gz NKIKGBZYZMURLN-WDEREUQCSA-N 1 0 265.313 1.658 20 5 CDBDRO [NH3+][C@H]1COC[C@H]1Nc1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001162919787 939161654 /nfs/dbraw/zinc/16/16/54/939161654.db2.gz DBAMMKOYIPXKPU-NWDGAFQWSA-N 1 0 292.270 1.420 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001163786470 939330986 /nfs/dbraw/zinc/33/09/86/939330986.db2.gz OCQHETZDKUQPIB-QMMMGPOBSA-N 1 0 278.312 1.200 20 5 CDBDRO CC[N+](C)(C)Cc1ccccc1N[C@H](CO)C(=O)OC ZINC001163798554 939333947 /nfs/dbraw/zinc/33/39/47/939333947.db2.gz BQPASQUOSIFAEQ-CQSZACIVSA-N 1 0 281.376 1.229 20 5 CDBDRO CN(C)/C=C/c1cc(N2CC([NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC001163940417 939358454 /nfs/dbraw/zinc/35/84/54/939358454.db2.gz JLWCAOAWHYWDTQ-AATRIKPKSA-N 1 0 291.355 1.272 20 5 CDBDRO C[C@]1(C[NH3+])CCCN(c2ncc([N+](=O)[O-])cc2N)CC1 ZINC001164247171 939441074 /nfs/dbraw/zinc/44/10/74/939441074.db2.gz GLGSVTOSJXXZNC-ZDUSSCGKSA-N 1 0 279.344 1.527 20 5 CDBDRO Cc1ccnc(N2CCC[C@@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC001165072830 939506742 /nfs/dbraw/zinc/50/67/42/939506742.db2.gz OPPSOTJEYRTKPK-LLVKDONJSA-N 1 0 264.329 1.829 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCOCC23C[NH2+]C3)n1 ZINC001165286280 939540330 /nfs/dbraw/zinc/54/03/30/939540330.db2.gz OYQJTZLKDKQAHD-UHFFFAOYSA-N 1 0 298.730 1.130 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC001166902750 939647745 /nfs/dbraw/zinc/64/77/45/939647745.db2.gz JVXFQXXCTDXXJD-GFCCVEGCSA-N 1 0 291.355 1.662 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@](C)([NH3+])C2)ccc1[N+](=O)[O-] ZINC000405833470 940998719 /nfs/dbraw/zinc/99/87/19/940998719.db2.gz OTFYXPSASNCGRE-CYBMUJFWSA-N 1 0 263.297 1.467 20 5 CDBDRO C[N@@H+]1CC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000311424064 941326173 /nfs/dbraw/zinc/32/61/73/941326173.db2.gz OSWOGOSVKTXMNG-ZETCQYMHSA-N 1 0 279.325 1.716 20 5 CDBDRO O=[N+]([O-])c1cc(CN2C[C@H](CO)[C@H](O)C2)ccc1Cl ZINC000316511491 941487456 /nfs/dbraw/zinc/48/74/56/941487456.db2.gz HPUKQLGTSVYVJP-BXKDBHETSA-N 1 0 286.715 1.033 20 5 CDBDRO COC(=O)c1cccc(CO[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC001223662235 941690306 /nfs/dbraw/zinc/69/03/06/941690306.db2.gz DSIRFOGFAMWLSX-JTQLQIEISA-N 1 0 296.323 1.848 20 5 CDBDRO COC(=O)[C@@H](OCC[N+](C)(C)C)c1cccc(F)c1 ZINC001224776265 941789927 /nfs/dbraw/zinc/78/99/27/941789927.db2.gz UDGTWBMQDYAWGB-ZDUSSCGKSA-N 1 0 270.324 1.763 20 5 CDBDRO CNC(=O)c1cccc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001225417561 941855866 /nfs/dbraw/zinc/85/58/66/941855866.db2.gz LPLYIHUJJCQPSG-NSHDSACASA-O 1 0 251.350 1.520 20 5 CDBDRO C[N@@H+]1CCC[C@H](Oc2ncccc2[N+](=O)[O-])CC1 ZINC001225591980 941886014 /nfs/dbraw/zinc/88/60/14/941886014.db2.gz AEDVZQOZKOAHBC-JTQLQIEISA-N 1 0 251.286 1.853 20 5 CDBDRO C[N@@H+]1CC[C@H](Oc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001226805315 942075281 /nfs/dbraw/zinc/07/52/81/942075281.db2.gz XPTCYRQEDCXFQI-QMMMGPOBSA-N 1 0 292.270 1.760 20 5 CDBDRO COC(=O)c1c(O)cccc1O[C@@H](C)C[N+](C)(C)C ZINC001227149777 942141750 /nfs/dbraw/zinc/14/17/50/942141750.db2.gz VKMDURCBQKCRDQ-JTQLQIEISA-O 1 0 268.333 1.652 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(O)cc1Cl ZINC001227446097 942178015 /nfs/dbraw/zinc/17/80/15/942178015.db2.gz JWHWXRMGLAWMNL-SNVBAGLBSA-O 1 0 288.751 1.408 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2ncc([N+](=O)[O-])c3nc[nH]c32)C1 ZINC001227693268 942205425 /nfs/dbraw/zinc/20/54/25/942205425.db2.gz QOGHQYVPZHATDT-QMMMGPOBSA-N 1 0 277.284 1.339 20 5 CDBDRO C[N@@H+]1CC[C@H](Oc2cc3n[nH]cc3cc2[N+](=O)[O-])C1 ZINC001230596962 942653544 /nfs/dbraw/zinc/65/35/44/942653544.db2.gz YJVUWRYHUAMVNH-VIFPVBQESA-N 1 0 262.269 1.554 20 5 CDBDRO C[C@H](C[NH+](C)C)Oc1cccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001233575132 943620090 /nfs/dbraw/zinc/62/00/90/943620090.db2.gz NVFBKNKAPYRNNM-MRVPVSSYSA-N 1 0 269.257 1.832 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000722034695 943662621 /nfs/dbraw/zinc/66/26/21/943662621.db2.gz GNLKRNFIFMDXIG-QMMMGPOBSA-N 1 0 285.731 1.976 20 5 CDBDRO O=C(NC1(C2CC[NH2+]CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC001263246596 943803564 /nfs/dbraw/zinc/80/35/64/943803564.db2.gz VVWVGZSRKPRVID-UHFFFAOYSA-N 1 0 289.335 1.857 20 5 CDBDRO CCc1cccnc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001234576909 943901443 /nfs/dbraw/zinc/90/14/43/943901443.db2.gz HAFVQTKMMQYRFO-GFCCVEGCSA-N 1 0 267.349 1.007 20 5 CDBDRO CN(OCC[NH3+])C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254468617 947450350 /nfs/dbraw/zinc/45/03/50/947450350.db2.gz OTFMVRFADZQWCA-UHFFFAOYSA-N 1 0 294.355 1.386 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C)C1=O ZINC001254536788 947515585 /nfs/dbraw/zinc/51/55/85/947515585.db2.gz TVAWREZDNVEODA-CMPLNLGQSA-N 1 0 277.324 1.346 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1C[C@H](CO)C1)C2 ZINC001254576539 947535799 /nfs/dbraw/zinc/53/57/99/947535799.db2.gz WZTJOJZZAZRDLP-XDTLVQLUSA-N 1 0 262.309 1.423 20 5 CDBDRO CC(C)(C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254580229 947536785 /nfs/dbraw/zinc/53/67/85/947536785.db2.gz BKGYCURYGYKEDS-NSHDSACASA-N 1 0 277.324 1.163 20 5 CDBDRO C[C@@H](O)CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254584721 947539419 /nfs/dbraw/zinc/53/94/19/947539419.db2.gz JAMVGZDCVYICQY-SKDRFNHKSA-N 1 0 250.298 1.423 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H](CO)[C@@H]1CCOC1)C2 ZINC001254582417 947541162 /nfs/dbraw/zinc/54/11/62/947541162.db2.gz UENBFQMIZYQPBX-KYOSRNDESA-N 1 0 292.335 1.049 20 5 CDBDRO [NH3+][C@@]12C[C@@H]1CCN([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001246657548 948391774 /nfs/dbraw/zinc/39/17/74/948391774.db2.gz OJPCEQUUELGAHO-NWANDNLSSA-N 1 0 273.336 1.485 20 5 CDBDRO C[C@@H]1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H](C)[NH2+]1 ZINC001246963412 948543400 /nfs/dbraw/zinc/54/34/00/948543400.db2.gz HCKDRMLZVNDXAA-HFAKWTLXSA-N 1 0 275.352 1.744 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[C@@H]3C[C@@H]3[NH2+]2)n1 ZINC001249144244 949427693 /nfs/dbraw/zinc/42/76/93/949427693.db2.gz AHIAFUUFMWZGRL-GEVIPFJHSA-N 1 0 291.242 1.602 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](O)CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327546005 954925849 /nfs/dbraw/zinc/92/58/49/954925849.db2.gz IQWPLJQBTLEZOS-OAHLLOKOSA-N 1 0 293.367 1.612 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327960788 955132585 /nfs/dbraw/zinc/13/25/85/955132585.db2.gz LYZHKWUFDBJSAU-SECBINFHSA-N 1 0 263.297 1.293 20 5 CDBDRO CC[NH2+]CCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328724174 955442425 /nfs/dbraw/zinc/44/24/25/955442425.db2.gz GZELIPPDMWAOGY-UHFFFAOYSA-N 1 0 278.312 1.230 20 5 CDBDRO COc1ccc(CNC(=O)C[NH2+]CC(C)C)cc1[N+](=O)[O-] ZINC001329108460 955692104 /nfs/dbraw/zinc/69/21/04/955692104.db2.gz QEESGPFEFBWVII-UHFFFAOYSA-N 1 0 295.339 1.465 20 5 CDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCC[NH+]1CC=CC1 ZINC001329647598 956042799 /nfs/dbraw/zinc/04/27/99/956042799.db2.gz NSVSQOYEWMEQMJ-UHFFFAOYSA-N 1 0 293.298 1.264 20 5 CDBDRO C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001307884940 956452260 /nfs/dbraw/zinc/45/22/60/956452260.db2.gz WQHMCSTYYBVWGD-CKYFFXLPSA-N 1 0 292.339 1.464 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@H](C)C[C@@H](C)O)c1[N+](=O)[O-] ZINC001308637576 956556519 /nfs/dbraw/zinc/55/65/19/956556519.db2.gz MOIHELFKGGZZQF-RKDXNWHRSA-N 1 0 284.312 1.558 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC([NH+](C)C)C1 ZINC001332352092 957527860 /nfs/dbraw/zinc/52/78/60/957527860.db2.gz HCQBKPLSKWIKLU-UHFFFAOYSA-N 1 0 277.324 1.598 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(c2cc(N)c([N+](=O)[O-])cn2)C[C@H]1C ZINC001337093128 960929140 /nfs/dbraw/zinc/92/91/40/960929140.db2.gz XSOVIFUDFJKLQC-ZJUUUORDSA-N 1 0 279.344 1.491 20 5 CDBDRO C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001341740123 963525571 /nfs/dbraw/zinc/52/55/71/963525571.db2.gz KQJVBJLJWLSGKA-CMPLNLGQSA-N 1 0 277.324 1.914 20 5 CDBDRO CC(C)[NH2+]CC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001342589253 963771625 /nfs/dbraw/zinc/77/16/25/963771625.db2.gz HEHJIHVDRXKEON-SNVBAGLBSA-N 1 0 265.313 1.770 20 5 CDBDRO C[C@]1(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC001344092504 964231722 /nfs/dbraw/zinc/23/17/22/964231722.db2.gz LHMIRBZELCAVDP-NFAWXSAZSA-N 1 0 289.335 1.567 20 5 CDBDRO [NH3+]C1(CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC001345152464 964603719 /nfs/dbraw/zinc/60/37/19/964603719.db2.gz BCFOKSLOHXQWDW-UHFFFAOYSA-N 1 0 290.323 1.501 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001345856734 964835605 /nfs/dbraw/zinc/83/56/05/964835605.db2.gz VHLXEWGEOIBNNH-VHSXEESVSA-N 1 0 292.339 1.507 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC001346068454 964905062 /nfs/dbraw/zinc/90/50/62/964905062.db2.gz CPADDXASGDEEMH-MNOVXSKESA-N 1 0 264.329 1.615 20 5 CDBDRO [NH3+][C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001346406695 965086859 /nfs/dbraw/zinc/08/68/59/965086859.db2.gz BKKKFCQBAADCJR-LJGSYFOKSA-N 1 0 269.688 1.468 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001348560405 966058793 /nfs/dbraw/zinc/05/87/93/966058793.db2.gz FLPYZUKZTIJTGP-SECBINFHSA-N 1 0 278.312 1.215 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NCC1=CC[N@H+](C)CC1 ZINC001352001036 967054727 /nfs/dbraw/zinc/05/47/27/967054727.db2.gz XJXUCRDSNMKFTO-UHFFFAOYSA-N 1 0 278.312 1.672 20 5 CDBDRO C[C@H]1CCN(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001353311085 967884345 /nfs/dbraw/zinc/88/43/45/967884345.db2.gz NOXWJVYAYSAMDB-WFASDCNBSA-N 1 0 293.367 1.560 20 5 CDBDRO C[C@@H](C[NH3+])C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001354829602 968922262 /nfs/dbraw/zinc/92/22/62/968922262.db2.gz KYFWTMWVBUMUJF-IUCAKERBSA-N 1 0 251.286 1.367 20 5 CDBDRO CC(C)(CCc1noc([C@@H]2C[C@]23CCC[NH2+]C3)n1)[N+](=O)[O-] ZINC000848632233 969209128 /nfs/dbraw/zinc/20/91/28/969209128.db2.gz PNNDEPWFZPAEHW-HZMBPMFUSA-N 1 0 294.355 1.915 20 5 CDBDRO COC1(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC001356538569 969420991 /nfs/dbraw/zinc/42/09/91/969420991.db2.gz VWLMVHLVQYPMEJ-UHFFFAOYSA-N 1 0 293.323 1.610 20 5 CDBDRO Cc1cc(NC(=O)C[C@@H]2C[NH2+]CCO2)cc([N+](=O)[O-])c1 ZINC001515789089 969917311 /nfs/dbraw/zinc/91/73/11/969917311.db2.gz KZAUTDIFPXMFNZ-GFCCVEGCSA-N 1 0 279.296 1.220 20 5 CDBDRO C[C@@H](CC[NH+]1CCCC1)OC(=O)c1cc([N+](=O)[O-])cn1C ZINC001520418825 970183219 /nfs/dbraw/zinc/18/32/19/970183219.db2.gz XSDKBWOBOSFBGJ-NSHDSACASA-N 1 0 295.339 1.965 20 5 CDBDRO C[C@H](NC(=O)CC1(C[NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC001522744997 970547409 /nfs/dbraw/zinc/54/74/09/970547409.db2.gz SEWTVKTUZPIOIQ-JTQLQIEISA-N 1 0 277.324 1.901 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC001578189832 1171831024 /nfs/dbraw/zinc/83/10/24/1171831024.db2.gz VTRVGPGZYIELGR-VIFPVBQESA-N 1 0 293.323 1.788 20 5 CDBDRO C[NH2+]CCCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001578680873 1171979738 /nfs/dbraw/zinc/97/97/38/1171979738.db2.gz KCGMGBOKVDMTBN-UHFFFAOYSA-N 1 0 266.301 1.424 20 5 CDBDRO CC(C)c1ccc(C[NH2+][C@@H]2COC[C@@H]2O)cc1[N+](=O)[O-] ZINC000601139425 342479722 /nfs/dbraw/zinc/47/97/22/342479722.db2.gz GBBHGDHLPWBNKQ-OCCSQVGLSA-N 1 0 280.324 1.568 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000320669363 341993845 /nfs/dbraw/zinc/99/38/45/341993845.db2.gz JHPLWUNUEACPNY-JGVFFNPUSA-N 1 0 269.276 1.590 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000320774583 341994476 /nfs/dbraw/zinc/99/44/76/341994476.db2.gz YXYCMONMNSJJJJ-SFYZADRCSA-N 1 0 269.276 1.590 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000320774581 341994487 /nfs/dbraw/zinc/99/44/87/341994487.db2.gz YXYCMONMNSJJJJ-HTQZYQBOSA-N 1 0 269.276 1.590 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000590403871 342544131 /nfs/dbraw/zinc/54/41/31/342544131.db2.gz OYLSOHQRBYAZHZ-MFKMUULPSA-N 1 0 277.324 1.759 20 5 CDBDRO CN(C)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000330708351 282105754 /nfs/dbraw/zinc/10/57/54/282105754.db2.gz VOUFVGOPBDXBIA-NWDGAFQWSA-N 1 0 281.360 1.426 20 5 CDBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000070791838 342023912 /nfs/dbraw/zinc/02/39/12/342023912.db2.gz JIEUTDASAHOGBC-NSHDSACASA-N 1 0 297.359 1.097 20 5 CDBDRO Cc1nc(N2CC[C@@H]([NH+](C)C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000590568558 342576225 /nfs/dbraw/zinc/57/62/25/342576225.db2.gz FSJAXRUJUZOIDR-ZYHUDNBSSA-N 1 0 264.329 1.827 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000608789723 342047983 /nfs/dbraw/zinc/04/79/83/342047983.db2.gz JYTGBMFAXVIRCG-UHFFFAOYSA-N 1 0 268.317 1.003 20 5 CDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000590580321 342577511 /nfs/dbraw/zinc/57/75/11/342577511.db2.gz AIGSJMPXMAWLDO-JQWIXIFHSA-N 1 0 291.355 1.493 20 5 CDBDRO C[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000609201024 342096144 /nfs/dbraw/zinc/09/61/44/342096144.db2.gz KGYGTLDPMQLBAA-LLVKDONJSA-N 1 0 263.297 1.163 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591270310 342623619 /nfs/dbraw/zinc/62/36/19/342623619.db2.gz BWLVPOBKMZHZBA-GXFFZTMASA-N 1 0 290.323 1.811 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591298958 342624582 /nfs/dbraw/zinc/62/45/82/342624582.db2.gz NGZFQZRKNZBQHM-GXFFZTMASA-N 1 0 290.323 1.811 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000591442897 342632574 /nfs/dbraw/zinc/63/25/74/342632574.db2.gz KUZHJRQBQPQXDC-GFCCVEGCSA-N 1 0 276.340 1.816 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)C[NH3+])c1 ZINC000591679227 342641753 /nfs/dbraw/zinc/64/17/53/342641753.db2.gz OXFADAQDNWRWHH-UHFFFAOYSA-N 1 0 281.312 1.461 20 5 CDBDRO O=C(CC[NH2+]C[C@@H]1CCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000591728504 342644480 /nfs/dbraw/zinc/64/44/80/342644480.db2.gz NCSXVSXDBAALCN-NSHDSACASA-N 1 0 293.323 1.550 20 5 CDBDRO CNc1ccc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000592297322 342684182 /nfs/dbraw/zinc/68/41/82/342684182.db2.gz ZYQFHDICOAWCDZ-ONGXEEELSA-N 1 0 292.339 1.446 20 5 CDBDRO CC1([NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000592331748 342685539 /nfs/dbraw/zinc/68/55/39/342685539.db2.gz YVGMOHKHMHNTOY-UHFFFAOYSA-N 1 0 269.326 1.610 20 5 CDBDRO CCc1[nH]nc(-c2nc([C@@H]3CCC[NH2+]3)no2)c1[N+](=O)[O-] ZINC000592356874 342688261 /nfs/dbraw/zinc/68/82/61/342688261.db2.gz JXHDSGSBABMFPJ-ZETCQYMHSA-N 1 0 278.272 1.355 20 5 CDBDRO Cc1nn(C[C@H]2CC[NH2+]C2)c2ccc([N+](=O)[O-])cc12 ZINC000592160495 342670821 /nfs/dbraw/zinc/67/08/21/342670821.db2.gz KVTOYCFBQPKXFV-JTQLQIEISA-N 1 0 260.297 1.862 20 5 CDBDRO C[C@@H](CCO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592431249 342691424 /nfs/dbraw/zinc/69/14/24/342691424.db2.gz ZANFMKQEZDGZCJ-JTQLQIEISA-N 1 0 281.312 1.284 20 5 CDBDRO Cc1ccc(CN2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000592428751 342695006 /nfs/dbraw/zinc/69/50/06/342695006.db2.gz UCVYTQPRYBEAHL-BXUZGUMPSA-N 1 0 279.340 1.451 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000592568239 342706994 /nfs/dbraw/zinc/70/69/94/342706994.db2.gz BQZDNTAJTAQSRA-QWRGUYRKSA-N 1 0 294.355 1.273 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000592557648 342709660 /nfs/dbraw/zinc/70/96/60/342709660.db2.gz PKHOCOXVRVRFEP-WDEREUQCSA-N 1 0 293.323 1.650 20 5 CDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC1CC[NH2+]CC1 ZINC000208424190 342184830 /nfs/dbraw/zinc/18/48/30/342184830.db2.gz BSNJDHZZIBESJJ-UTCJRWHESA-N 1 0 275.308 1.476 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000070303658 361922847 /nfs/dbraw/zinc/92/28/47/361922847.db2.gz AGMRYXQCHXUJMO-UHFFFAOYSA-N 1 0 251.286 1.195 20 5 CDBDRO COCC[N@H+](C)CCNc1nccc(C)c1[N+](=O)[O-] ZINC000070496327 361982653 /nfs/dbraw/zinc/98/26/53/361982653.db2.gz PASFQEMCMYXFEL-UHFFFAOYSA-N 1 0 268.317 1.288 20 5 CDBDRO CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000290021070 361975475 /nfs/dbraw/zinc/97/54/75/361975475.db2.gz BAOAZLXAULWACI-XDTLVQLUSA-N 1 0 266.297 1.659 20 5 CDBDRO CN(C(=O)/C=C\c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000209215542 342226288 /nfs/dbraw/zinc/22/62/88/342226288.db2.gz AJSZEMUIJYCHAT-WAYWQWQTSA-N 1 0 289.335 1.818 20 5 CDBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2COCCN2)cccc1[N+](=O)[O-] ZINC000600709264 342243459 /nfs/dbraw/zinc/24/34/59/342243459.db2.gz HXDLIQPNKMQEHS-NEPJUHHUSA-N 1 0 279.340 1.542 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1(CO)COC1 ZINC000594501171 342914412 /nfs/dbraw/zinc/91/44/12/342914412.db2.gz IWZXJZVBPISEIP-LBPRGKRZSA-N 1 0 278.308 1.181 20 5 CDBDRO C[NH2+]C1(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)CCC1 ZINC000600825302 342251776 /nfs/dbraw/zinc/25/17/76/342251776.db2.gz RGJHGCXZNKUJCD-UHFFFAOYSA-N 1 0 277.324 1.775 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCOCCO ZINC000594505598 342914777 /nfs/dbraw/zinc/91/47/77/342914777.db2.gz VNJAJBCSULNGHV-CYBMUJFWSA-N 1 0 280.324 1.571 20 5 CDBDRO COc1ccc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000107578061 349707246 /nfs/dbraw/zinc/70/72/46/349707246.db2.gz SJRMGDCRIVSVOY-VXGBXAGGSA-N 1 0 277.324 1.255 20 5 CDBDRO COCCOCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595010912 342990259 /nfs/dbraw/zinc/99/02/59/342990259.db2.gz ZXVLKGIZZCWVPZ-NSHDSACASA-N 1 0 298.339 1.917 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595230009 343009772 /nfs/dbraw/zinc/00/97/72/343009772.db2.gz KSJGMSHWCNTQNK-UHFFFAOYSA-N 1 0 266.301 1.796 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000595262666 343014840 /nfs/dbraw/zinc/01/48/40/343014840.db2.gz AARVYILPYXSLHZ-JTQLQIEISA-N 1 0 280.328 1.044 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000595275968 343021903 /nfs/dbraw/zinc/02/19/03/343021903.db2.gz SVUNORCQHAKJLH-LLVKDONJSA-N 1 0 294.355 1.387 20 5 CDBDRO NC(=O)C[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595338014 343030073 /nfs/dbraw/zinc/03/00/73/343030073.db2.gz OHLRNZMVURFVCD-SNVBAGLBSA-N 1 0 295.314 1.821 20 5 CDBDRO Cc1noc(CN(C)CC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000595448015 343053701 /nfs/dbraw/zinc/05/37/01/343053701.db2.gz WESSVZYPRGNVIQ-UHFFFAOYSA-N 1 0 268.317 1.417 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000382471745 362040126 /nfs/dbraw/zinc/04/01/26/362040126.db2.gz QJTJUWXPZIIUMD-MWLCHTKSSA-N 1 0 278.312 1.986 20 5 CDBDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595543446 343094006 /nfs/dbraw/zinc/09/40/06/343094006.db2.gz JRNHZBRCLNHUPB-LLVKDONJSA-N 1 0 295.314 1.644 20 5 CDBDRO CC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000595766507 343145492 /nfs/dbraw/zinc/14/54/92/343145492.db2.gz XCMXANINHCGQQL-GFCCVEGCSA-N 1 0 277.324 1.972 20 5 CDBDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000595678076 343129929 /nfs/dbraw/zinc/12/99/29/343129929.db2.gz QFKULKBFIDOATH-RYUDHWBXSA-N 1 0 282.344 1.274 20 5 CDBDRO CCOc1cc(Cn2ccnc2C[NH3+])ccc1[N+](=O)[O-] ZINC000600966460 342354850 /nfs/dbraw/zinc/35/48/50/342354850.db2.gz OMCPJAIJDCYIKK-UHFFFAOYSA-N 1 0 276.296 1.697 20 5 CDBDRO CCc1ccc(C(=O)N(C)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000595934581 343185765 /nfs/dbraw/zinc/18/57/65/343185765.db2.gz OZHITCIZDXMHHR-UHFFFAOYSA-N 1 0 279.340 1.967 20 5 CDBDRO COc1cc(C(=O)NCC2([NH3+])CCCC2)ccc1[N+](=O)[O-] ZINC000595941031 343203642 /nfs/dbraw/zinc/20/36/42/343203642.db2.gz KNCZAFUFASIZFR-UHFFFAOYSA-N 1 0 293.323 1.605 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596048723 343218231 /nfs/dbraw/zinc/21/82/31/343218231.db2.gz CNNKCSLNRPNIFC-LLVKDONJSA-N 1 0 292.339 1.590 20 5 CDBDRO CC(C)[N@H+](C)CCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596075522 343226428 /nfs/dbraw/zinc/22/64/28/343226428.db2.gz FSMRPQYWVBOKFI-UHFFFAOYSA-N 1 0 294.355 1.836 20 5 CDBDRO CC(C)(C)[NH2+]CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596106700 343228870 /nfs/dbraw/zinc/22/88/70/343228870.db2.gz VQYFKGIANPZZJU-UHFFFAOYSA-N 1 0 280.328 1.494 20 5 CDBDRO CC(C)[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000596205297 343265183 /nfs/dbraw/zinc/26/51/83/343265183.db2.gz HYLZWQFQQWIDNC-NSHDSACASA-N 1 0 280.328 1.472 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1OCCc1cncn1C ZINC000596253324 343275131 /nfs/dbraw/zinc/27/51/31/343275131.db2.gz DDNVBURSWARCGP-UHFFFAOYSA-N 1 0 277.280 1.958 20 5 CDBDRO CCC[N@@H+]1CC[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596518904 343340664 /nfs/dbraw/zinc/34/06/64/343340664.db2.gz ZJKCJKWOJKAEIU-VIFPVBQESA-N 1 0 266.301 1.592 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C)CC2)c1 ZINC000141366151 342447005 /nfs/dbraw/zinc/44/70/05/342447005.db2.gz DGWZFDNBNNRYEQ-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO CC1CC[NH+](CCCNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000273165946 192063034 /nfs/dbraw/zinc/06/30/34/192063034.db2.gz LJCSKRAAVNIHFH-UHFFFAOYSA-N 1 0 279.344 1.919 20 5 CDBDRO CCc1nn(C)c(NCCC[N@H+](C)CCOC)c1[N+](=O)[O-] ZINC000189432235 529767727 /nfs/dbraw/zinc/76/77/27/529767727.db2.gz LFRNJWAFQNBBNN-UHFFFAOYSA-N 1 0 299.375 1.271 20 5 CDBDRO CNc1ccc(C(=O)NCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000573840923 362249306 /nfs/dbraw/zinc/24/93/06/362249306.db2.gz CVKQBCVUMUPYCP-UHFFFAOYSA-N 1 0 278.312 1.248 20 5 CDBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000598260737 343743916 /nfs/dbraw/zinc/74/39/16/343743916.db2.gz MHTFYBJJWZWEKG-SNVBAGLBSA-N 1 0 295.343 1.168 20 5 CDBDRO Cc1cccc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c1[N+](=O)[O-] ZINC000598668449 343871207 /nfs/dbraw/zinc/87/12/07/343871207.db2.gz SVBXVBWSBVSVMD-IAQYHMDHSA-N 1 0 289.335 1.857 20 5 CDBDRO Nc1c(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598668691 343871761 /nfs/dbraw/zinc/87/17/61/343871761.db2.gz XSKIVAHIUZSDBH-LKFCYVNXSA-N 1 0 290.323 1.130 20 5 CDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1csc([N+](=O)[O-])c1)C2 ZINC000598669653 343872426 /nfs/dbraw/zinc/87/24/26/343872426.db2.gz LNVMBYDLMZWLSF-CABZTGNLSA-N 1 0 281.337 1.610 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598914452 343919566 /nfs/dbraw/zinc/91/95/66/343919566.db2.gz FAXMCABKFCPYHS-MRVPVSSYSA-N 1 0 282.275 1.689 20 5 CDBDRO CC[C@H]([NH2+]CCN1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000599092512 343952680 /nfs/dbraw/zinc/95/26/80/343952680.db2.gz JJILAKJWWLUDRV-GJZGRUSLSA-N 1 0 293.367 1.702 20 5 CDBDRO [NH3+]CCCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000136211133 362328825 /nfs/dbraw/zinc/32/88/25/362328825.db2.gz MWVHBPSYRQOYAR-UHFFFAOYSA-N 1 0 255.249 1.203 20 5 CDBDRO CCC(O)(CC)C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000599672216 344113475 /nfs/dbraw/zinc/11/34/75/344113475.db2.gz AQJUAUIKYLPYKY-UHFFFAOYSA-N 1 0 270.333 1.274 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CC)CC[NH3+] ZINC000599604482 344101082 /nfs/dbraw/zinc/10/10/82/344101082.db2.gz QDLLQCXHCCBMFR-UHFFFAOYSA-N 1 0 296.327 1.806 20 5 CDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])n1C)C1CC[NH+](C)CC1 ZINC000599985572 344160164 /nfs/dbraw/zinc/16/01/64/344160164.db2.gz GIJIPVLWUJIKEU-UHFFFAOYSA-N 1 0 294.355 1.490 20 5 CDBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000265589654 362456307 /nfs/dbraw/zinc/45/63/07/362456307.db2.gz RKDCUUVRBTWKFA-SECBINFHSA-N 1 0 299.758 1.857 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]([C@@H](C)CO)C1CCCC1 ZINC000602813470 344604831 /nfs/dbraw/zinc/60/48/31/344604831.db2.gz GCGJYMMQVOSVJX-NSHDSACASA-N 1 0 296.371 1.725 20 5 CDBDRO C[NH+](C)CC(C)(C)CNc1cccnc1[N+](=O)[O-] ZINC000159283057 344806001 /nfs/dbraw/zinc/80/60/01/344806001.db2.gz RHUILXBWVOESBU-UHFFFAOYSA-N 1 0 252.318 1.990 20 5 CDBDRO Cc1nn(C)c(N2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000051822826 344896143 /nfs/dbraw/zinc/89/61/43/344896143.db2.gz CVHDJRAYVLCYPY-UHFFFAOYSA-N 1 0 293.371 1.701 20 5 CDBDRO Cc1nn(C)c(N2CCC([NH2+]C(C)C)CC2)c1[N+](=O)[O-] ZINC000609595525 345822309 /nfs/dbraw/zinc/82/23/09/345822309.db2.gz KAMPFMFWISPNMV-UHFFFAOYSA-N 1 0 281.360 1.604 20 5 CDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000609876486 346030027 /nfs/dbraw/zinc/03/00/27/346030027.db2.gz AXOAJQCAODNBSV-SNVBAGLBSA-N 1 0 295.343 1.231 20 5 CDBDRO CC(C)[NH2+]CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810251 346364614 /nfs/dbraw/zinc/36/46/14/346364614.db2.gz RFEDHNICGPTRQK-UHFFFAOYSA-N 1 0 265.313 1.551 20 5 CDBDRO CC(C)C[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000037887243 346369800 /nfs/dbraw/zinc/36/98/00/346369800.db2.gz WVOVPHXVJXJWKH-ZYHUDNBSSA-N 1 0 270.333 1.176 20 5 CDBDRO COc1ccc(CN2C[C@@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000086469311 362712460 /nfs/dbraw/zinc/71/24/60/362712460.db2.gz HKMLZOPNXURSTG-MNOVXSKESA-N 1 0 279.340 1.786 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CCCCC2)c1 ZINC000037872798 346369446 /nfs/dbraw/zinc/36/94/46/346369446.db2.gz QGBLZASINVWNIU-LBPRGKRZSA-N 1 0 268.317 1.075 20 5 CDBDRO CC[N@@H+]1CCN(c2ncc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611084775 346604206 /nfs/dbraw/zinc/60/42/06/346604206.db2.gz SABVBCDOYUAWQP-NSHDSACASA-N 1 0 264.329 1.829 20 5 CDBDRO CC[N@@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611092019 346606029 /nfs/dbraw/zinc/60/60/29/346606029.db2.gz GSTLZNLIPDVFNW-CYBMUJFWSA-N 1 0 293.367 2.000 20 5 CDBDRO CC[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122600219 347662319 /nfs/dbraw/zinc/66/23/19/347662319.db2.gz ZUIKWKWATQNDMI-JQWIXIFHSA-N 1 0 277.324 1.794 20 5 CDBDRO C[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000086467985 179298847 /nfs/dbraw/zinc/29/88/47/179298847.db2.gz AWLSUBUXYWPUPR-YUMQZZPRSA-N 1 0 269.326 1.479 20 5 CDBDRO C[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[NH+](C)C ZINC000063769287 348931995 /nfs/dbraw/zinc/93/19/95/348931995.db2.gz GGWLPQYGBDNZPL-VIFPVBQESA-N 1 0 290.323 1.756 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000067703489 349033795 /nfs/dbraw/zinc/03/37/95/349033795.db2.gz AYBPEKGUYMLVBJ-GFCCVEGCSA-N 1 0 289.335 1.490 20 5 CDBDRO CC(C)C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000068334749 349058786 /nfs/dbraw/zinc/05/87/86/349058786.db2.gz ANFXSKAITVWFIN-CYBMUJFWSA-N 1 0 282.340 1.922 20 5 CDBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1CC(O)C1 ZINC000091498736 180173904 /nfs/dbraw/zinc/17/39/04/180173904.db2.gz GMFGUMHCOYPQEL-UHFFFAOYSA-N 1 0 250.298 1.798 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@@H](C[NH3+])C1CCCC1 ZINC000236090570 362969359 /nfs/dbraw/zinc/96/93/59/362969359.db2.gz RIFTVQOFUQDKHP-VIFPVBQESA-N 1 0 253.306 1.258 20 5 CDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1F ZINC000110795962 186325156 /nfs/dbraw/zinc/32/51/56/186325156.db2.gz NXBXGMYCDUDBMM-VIFPVBQESA-N 1 0 281.287 1.463 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000110794474 186325538 /nfs/dbraw/zinc/32/55/38/186325538.db2.gz LZQLVNFCLCKMTR-LLVKDONJSA-N 1 0 277.324 1.633 20 5 CDBDRO Cc1nn(C)c(NCC[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000110793360 186325570 /nfs/dbraw/zinc/32/55/70/186325570.db2.gz ZGZQMBKXYCGRIK-SNVBAGLBSA-N 1 0 267.333 1.438 20 5 CDBDRO Cc1nn(C)c(NC[C@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000062075618 362980433 /nfs/dbraw/zinc/98/04/33/362980433.db2.gz QCSYRDCLMBEISL-JTQLQIEISA-N 1 0 281.360 1.781 20 5 CDBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc(N)c([N+](=O)[O-])n3)C2)C1 ZINC000312740097 350791497 /nfs/dbraw/zinc/79/14/97/350791497.db2.gz VDDGZLQMXLDUTA-ZDUSSCGKSA-N 1 0 277.328 1.104 20 5 CDBDRO CCNC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000036780283 363010537 /nfs/dbraw/zinc/01/05/37/363010537.db2.gz UVAOIWYXIIYROB-JTQLQIEISA-N 1 0 265.313 1.690 20 5 CDBDRO C[NH2+]CCCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000121461783 186974039 /nfs/dbraw/zinc/97/40/39/186974039.db2.gz ZNHDEEDTAKWPIQ-UHFFFAOYSA-N 1 0 283.353 1.656 20 5 CDBDRO Cc1cc(C(=O)N2CCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000122317001 187026721 /nfs/dbraw/zinc/02/67/21/187026721.db2.gz NEMPSSRZPZDDGU-LLVKDONJSA-N 1 0 263.297 1.467 20 5 CDBDRO C[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])C[NH+](C)C ZINC000291768289 198086284 /nfs/dbraw/zinc/08/62/84/198086284.db2.gz HFBGFOVNMFAXEI-QMMMGPOBSA-N 1 0 283.357 1.914 20 5 CDBDRO C[C@@]1(O)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000123884764 187113583 /nfs/dbraw/zinc/11/35/83/187113583.db2.gz VMIZMKNJMRWPRA-CYBMUJFWSA-N 1 0 250.298 1.942 20 5 CDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3csc([N+](=O)[O-])c3)C2)C1 ZINC000292281056 198229977 /nfs/dbraw/zinc/22/99/77/198229977.db2.gz QUSYNMZJDUBIHB-CYBMUJFWSA-N 1 0 295.364 1.824 20 5 CDBDRO CC(C)([NH3+])CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000418426490 535203300 /nfs/dbraw/zinc/20/33/00/535203300.db2.gz JYXKODGZHSOSOL-UHFFFAOYSA-N 1 0 294.355 1.866 20 5 CDBDRO COc1cc(C(=O)NC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000156664647 188275620 /nfs/dbraw/zinc/27/56/20/188275620.db2.gz VSEJSHISUKGJDN-UHFFFAOYSA-N 1 0 279.296 1.085 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000156737080 188279054 /nfs/dbraw/zinc/27/90/54/188279054.db2.gz XVTGDRJDJVLAQU-UWVGGRQHSA-N 1 0 265.313 1.237 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365354236 363347748 /nfs/dbraw/zinc/34/77/48/363347748.db2.gz HFUBVUFOSCYQFJ-TVQRCGJNSA-N 1 0 293.298 1.558 20 5 CDBDRO Cc1sc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000293411020 198629170 /nfs/dbraw/zinc/62/91/70/198629170.db2.gz NDDVJWDMOAMYTK-UWVGGRQHSA-N 1 0 295.364 1.789 20 5 CDBDRO C[NH+]1CCC(Nc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000286126387 356221264 /nfs/dbraw/zinc/22/12/64/356221264.db2.gz MPYSSDKDIQPJOC-UHFFFAOYSA-N 1 0 250.302 1.683 20 5 CDBDRO Cc1sc(C(=O)NC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000273009115 192017521 /nfs/dbraw/zinc/01/75/21/192017521.db2.gz IWABIMAWVAJNTA-QMMMGPOBSA-N 1 0 269.326 1.304 20 5 CDBDRO CCOC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000286332153 356256392 /nfs/dbraw/zinc/25/63/92/356256392.db2.gz XBJBPDMDQUNFDV-LLVKDONJSA-N 1 0 270.333 1.442 20 5 CDBDRO C[C@@H]1C[C@H]1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000578194464 356263736 /nfs/dbraw/zinc/26/37/36/356263736.db2.gz LZIUSGLBZDPDPD-NEPJUHHUSA-N 1 0 276.340 1.768 20 5 CDBDRO C[C@@H](O)C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000304566218 356411282 /nfs/dbraw/zinc/41/12/82/356411282.db2.gz ZKKZPTXAMUNSCZ-GFCCVEGCSA-N 1 0 296.371 1.807 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC000578527995 356717553 /nfs/dbraw/zinc/71/75/53/356717553.db2.gz WYNPYBDMOSWUCP-ZDUSSCGKSA-N 1 0 287.323 1.676 20 5 CDBDRO Cc1nn(C)c(NCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000048334722 356788552 /nfs/dbraw/zinc/78/85/52/356788552.db2.gz YTLYDSSGKVYUBJ-UHFFFAOYSA-N 1 0 253.306 1.144 20 5 CDBDRO O=C(NC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])s1 ZINC000036285296 356869732 /nfs/dbraw/zinc/86/97/32/356869732.db2.gz ZGBUTQYUDYGNRZ-UHFFFAOYSA-N 1 0 255.299 1.138 20 5 CDBDRO C[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])[NH+](C)C ZINC000037988077 356950113 /nfs/dbraw/zinc/95/01/13/356950113.db2.gz CDNLBSXXAPIZAO-ZETCQYMHSA-N 1 0 269.330 1.666 20 5 CDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCOC1 ZINC000159050354 357211729 /nfs/dbraw/zinc/21/17/29/357211729.db2.gz HVIKEKPFTPRNAU-JTQLQIEISA-N 1 0 254.261 1.955 20 5 CDBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c([N+](=O)[O-])ncn1C ZINC000360438326 357235644 /nfs/dbraw/zinc/23/56/44/357235644.db2.gz WUQVBKLZLFKFCZ-VXGBXAGGSA-N 1 0 293.371 1.387 20 5 CDBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccccc2[N+](=O)[O-])n1 ZINC000261907343 357340466 /nfs/dbraw/zinc/34/04/66/357340466.db2.gz ZFALORZGPHPHBW-QMMMGPOBSA-N 1 0 262.269 1.795 20 5 CDBDRO COC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000181561640 357361136 /nfs/dbraw/zinc/36/11/36/357361136.db2.gz RROACPDIXHCFES-LBPRGKRZSA-N 1 0 293.323 1.208 20 5 CDBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000182204634 357419317 /nfs/dbraw/zinc/41/93/17/357419317.db2.gz SXPCWBNGXOUGFC-LBPRGKRZSA-N 1 0 280.324 1.819 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H]([NH3+])c1ccccc1 ZINC000062838482 357489770 /nfs/dbraw/zinc/48/97/70/357489770.db2.gz JJBVVRGSMWBVOE-SNVBAGLBSA-N 1 0 261.285 1.440 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000186869992 357700189 /nfs/dbraw/zinc/70/01/89/357700189.db2.gz QUAQQORBGLVFII-VPPSXGLOSA-N 1 0 289.335 1.722 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000135236949 357800950 /nfs/dbraw/zinc/80/09/50/357800950.db2.gz NPPCDQJHZCSYDS-UWVGGRQHSA-N 1 0 295.314 1.933 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135238879 357802450 /nfs/dbraw/zinc/80/24/50/357802450.db2.gz FWWFNDITRBZMRO-YPMHNXCESA-N 1 0 277.324 1.381 20 5 CDBDRO C[C@@H]1C[N@H+](C)C[C@H]1c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000361251698 358019553 /nfs/dbraw/zinc/01/95/53/358019553.db2.gz NOOGCBFSOWJYAV-HTQZYQBOSA-N 1 0 292.299 1.043 20 5 CDBDRO C[C@@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000192734041 358230966 /nfs/dbraw/zinc/23/09/66/358230966.db2.gz AREWQRSIUXLHNG-LLVKDONJSA-N 1 0 280.324 1.819 20 5 CDBDRO O=C([C@H]1CCC[NH2+]C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000178132199 366468464 /nfs/dbraw/zinc/46/84/64/366468464.db2.gz GCLTUJDXGREFOY-JTQLQIEISA-N 1 0 275.308 1.484 20 5 CDBDRO Cc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000186746354 358821605 /nfs/dbraw/zinc/82/16/05/358821605.db2.gz APDFPARIFQCIBM-BXKDBHETSA-N 1 0 277.324 1.631 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000186871922 358834180 /nfs/dbraw/zinc/83/41/80/358834180.db2.gz VBWIPBJXCCVXTQ-NOZJJQNGSA-N 1 0 277.324 1.631 20 5 CDBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000103453638 358922901 /nfs/dbraw/zinc/92/29/01/358922901.db2.gz XRLPFZXGIDCGRU-UHFFFAOYSA-N 1 0 281.312 1.602 20 5 CDBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000119941127 359044744 /nfs/dbraw/zinc/04/47/44/359044744.db2.gz BVKRYGFMHWIHKC-NSHDSACASA-N 1 0 295.364 1.631 20 5 CDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccncc1F ZINC000338345011 359119876 /nfs/dbraw/zinc/11/98/76/359119876.db2.gz PUPCUMNMTVCGLM-SECBINFHSA-N 1 0 279.275 1.676 20 5 CDBDRO CC(C)[C@@H](CCO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000274638257 359059288 /nfs/dbraw/zinc/05/92/88/359059288.db2.gz YIHIEARDUBDYIY-ZIAGYGMSSA-N 1 0 282.340 1.625 20 5 CDBDRO COC(=O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549247 359062207 /nfs/dbraw/zinc/06/22/07/359062207.db2.gz PJSBWVDIKAWIBG-GFCCVEGCSA-N 1 0 278.308 1.947 20 5 CDBDRO C[N@H+](CC[C@H]1CCCO1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000342612638 359135101 /nfs/dbraw/zinc/13/51/01/359135101.db2.gz YHEYWLVVJUNIDE-CYBMUJFWSA-N 1 0 295.339 1.257 20 5 CDBDRO C[C@H](C[S@@](C)=O)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570175357 359289800 /nfs/dbraw/zinc/28/98/00/359289800.db2.gz IXCFWATWAGOZET-JNGGQTBLSA-N 1 0 282.365 1.939 20 5 CDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000050162888 359352588 /nfs/dbraw/zinc/35/25/88/359352588.db2.gz TWFMRYPGEBPXLZ-JQWIXIFHSA-N 1 0 277.324 1.713 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000153912874 237028069 /nfs/dbraw/zinc/02/80/69/237028069.db2.gz LGLZLSZGWVMHOE-DTORHVGOSA-N 1 0 278.312 1.121 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2COCCO2)c(Cl)c1 ZINC000049963499 359530325 /nfs/dbraw/zinc/53/03/25/359530325.db2.gz XETHWWLDOROETF-LLVKDONJSA-N 1 0 286.715 1.753 20 5 CDBDRO C[C@H](NC[C@H](O)C[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296805459 200003400 /nfs/dbraw/zinc/00/34/00/200003400.db2.gz UNCXPERCFIYRMI-NHYWBVRUSA-N 1 0 293.367 1.701 20 5 CDBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@H]1C[NH3+] ZINC000397280909 359936097 /nfs/dbraw/zinc/93/60/97/359936097.db2.gz SAPCIMMODRELFE-GMTAPVOTSA-N 1 0 294.355 1.379 20 5 CDBDRO Cc1cc(N(C)[C@H]2CCC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC000267043669 360146023 /nfs/dbraw/zinc/14/60/23/360146023.db2.gz CZRLQNRGYQMANT-NSHDSACASA-N 1 0 264.329 1.829 20 5 CDBDRO C[C@@H]([NH3+])CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000138074342 360118780 /nfs/dbraw/zinc/11/87/80/360118780.db2.gz NRUXURGDSDBUQA-MRVPVSSYSA-N 1 0 287.341 1.148 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3CC3)C2)nc1 ZINC000237987107 360313101 /nfs/dbraw/zinc/31/31/01/360313101.db2.gz PJPMTGILVBCRIQ-NSHDSACASA-N 1 0 262.313 1.886 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC000262774441 360314935 /nfs/dbraw/zinc/31/49/35/360314935.db2.gz BOPMSUURWCVARR-KOLCDFICSA-N 1 0 295.314 1.913 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000162840055 360532874 /nfs/dbraw/zinc/53/28/74/360532874.db2.gz HEDZWHKSFRXXLV-GXFFZTMASA-N 1 0 293.323 1.069 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NCC[C@H]2CC[NH2+]C2)n1 ZINC000162861747 360598206 /nfs/dbraw/zinc/59/82/06/360598206.db2.gz ODJLZVKEHLPVQI-SNVBAGLBSA-N 1 0 250.302 1.710 20 5 CDBDRO COC[C@@H](C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)OC ZINC000227705071 360680501 /nfs/dbraw/zinc/68/05/01/360680501.db2.gz IDBHANZVPRNEIH-LLVKDONJSA-N 1 0 284.312 1.354 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000178637442 189133059 /nfs/dbraw/zinc/13/30/59/189133059.db2.gz GZVHIXPANQFKBQ-VIFPVBQESA-N 1 0 280.328 1.128 20 5 CDBDRO C[C@@H]([NH3+])CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000178674523 189136665 /nfs/dbraw/zinc/13/66/65/189136665.db2.gz AGXPTVGPYZUCQK-LLVKDONJSA-N 1 0 294.355 1.640 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(N)=O)cc1[N+](=O)[O-] ZINC000178689559 189137853 /nfs/dbraw/zinc/13/78/53/189137853.db2.gz GVJSOXRCSDNGMW-IUCAKERBSA-N 1 0 294.311 1.137 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C)C2=O)cc1[N+](=O)[O-] ZINC000178688858 189138013 /nfs/dbraw/zinc/13/80/13/189138013.db2.gz DUGDXSOJKRNQGR-ZYHUDNBSSA-N 1 0 277.324 1.785 20 5 CDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000367128296 360926678 /nfs/dbraw/zinc/92/66/78/360926678.db2.gz ZCZGBWQLQYTEGW-QWHCGFSZSA-N 1 0 293.371 1.350 20 5 CDBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000037977415 361162995 /nfs/dbraw/zinc/16/29/95/361162995.db2.gz QNJOQTNEVNNEQA-UHFFFAOYSA-N 1 0 250.302 1.886 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000248572663 361250934 /nfs/dbraw/zinc/25/09/34/361250934.db2.gz CYCLXVXKMFGBCF-KWCYVHTRSA-N 1 0 289.335 1.333 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000168610273 361323275 /nfs/dbraw/zinc/32/32/75/361323275.db2.gz VGZWTIQAPZKSCW-QWRGUYRKSA-N 1 0 292.339 1.202 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000036282044 361420408 /nfs/dbraw/zinc/42/04/08/361420408.db2.gz XJJHNHJNHWZEJL-UHFFFAOYSA-N 1 0 257.315 1.386 20 5 CDBDRO CCCN(CC[NH+]1CCCC1)Cc1c([N+](=O)[O-])ncn1C ZINC000352874444 364124414 /nfs/dbraw/zinc/12/44/14/364124414.db2.gz HZHRTRJXSWFQPD-UHFFFAOYSA-N 1 0 295.387 1.636 20 5 CDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000456525783 364527940 /nfs/dbraw/zinc/52/79/40/364527940.db2.gz ASAPMJMJPAOHFN-LLVKDONJSA-N 1 0 294.355 1.490 20 5 CDBDRO CC[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCS1 ZINC000174881281 364587532 /nfs/dbraw/zinc/58/75/32/364587532.db2.gz BEFQPNIEXQPRCY-NSHDSACASA-N 1 0 270.358 1.619 20 5 CDBDRO Cn1cccc1[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174810801 364570809 /nfs/dbraw/zinc/57/08/09/364570809.db2.gz XMXBTHMNWKITFB-AWEZNQCLSA-N 1 0 289.339 1.967 20 5 CDBDRO C[NH2+]CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000162836940 364662943 /nfs/dbraw/zinc/66/29/43/364662943.db2.gz NLSUZRFFFIPVRT-VIFPVBQESA-N 1 0 251.286 1.300 20 5 CDBDRO CC[C@@](C)(O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000249429473 364693348 /nfs/dbraw/zinc/69/33/48/364693348.db2.gz YUARZVCDOASBBU-BXUZGUMPSA-N 1 0 294.355 1.637 20 5 CDBDRO CC[N@H+](CCOC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270822887 366934565 /nfs/dbraw/zinc/93/45/65/366934565.db2.gz YWPKYDYVVHIHCN-UHFFFAOYSA-N 1 0 295.339 1.892 20 5 CDBDRO Cc1ccc(NC(=O)NC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000414650698 241299839 /nfs/dbraw/zinc/29/98/39/241299839.db2.gz BFRSSRQQTTVJEI-UHFFFAOYSA-N 1 0 266.301 1.762 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C1C[NH2+]C1 ZINC000414655666 241303272 /nfs/dbraw/zinc/30/32/72/241303272.db2.gz LGDLVKGYPWYREU-UHFFFAOYSA-N 1 0 280.284 1.039 20 5 CDBDRO [NH3+]C[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000414814062 241399509 /nfs/dbraw/zinc/39/95/09/241399509.db2.gz YXJVWHGZDSOVGH-MASHWEEQSA-N 1 0 261.325 1.935 20 5 CDBDRO C[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[NH+](C)C ZINC000272241655 367566987 /nfs/dbraw/zinc/56/69/87/367566987.db2.gz KWYRDVPVDRBCFT-MRVPVSSYSA-N 1 0 295.295 1.003 20 5 CDBDRO CCOc1cc(NC[C@H]2COCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000233798392 367599772 /nfs/dbraw/zinc/59/97/72/367599772.db2.gz DSBIRRBUOYFIQI-NSHDSACASA-N 1 0 281.312 1.394 20 5 CDBDRO C[C@@H](NC(=O)N1CC[NH2+][C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000417128051 242330029 /nfs/dbraw/zinc/33/00/29/242330029.db2.gz HOTCHTGUSLDEGM-WDEREUQCSA-N 1 0 292.339 1.659 20 5 CDBDRO C[NH+](C)C1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000275983233 193179539 /nfs/dbraw/zinc/17/95/39/193179539.db2.gz MVKKDPNHLRVOCX-UHFFFAOYSA-N 1 0 291.351 1.738 20 5 CDBDRO CC1(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)COC1 ZINC000441209705 368461250 /nfs/dbraw/zinc/46/12/50/368461250.db2.gz ZDNKTQTVMOKPPL-UHFFFAOYSA-N 1 0 291.351 1.753 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](C)C[NH3+] ZINC000414870725 370918672 /nfs/dbraw/zinc/91/86/72/370918672.db2.gz CGNFKQJVEFGGRF-JTQLQIEISA-N 1 0 267.329 1.678 20 5 CDBDRO C[C@H](CN1CCOCC1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037562761 369079939 /nfs/dbraw/zinc/07/99/39/369079939.db2.gz PLBIYLLQXPQPOZ-SNVBAGLBSA-N 1 0 285.369 1.467 20 5 CDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH2+][C@@H](C)C1 ZINC000420333155 244100501 /nfs/dbraw/zinc/10/05/01/244100501.db2.gz HLXZYBIDKQNMQJ-WDEREUQCSA-N 1 0 292.339 1.216 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000037766493 370079215 /nfs/dbraw/zinc/07/92/15/370079215.db2.gz UONZUQCMNNUBHP-CMPLNLGQSA-N 1 0 277.324 1.772 20 5 CDBDRO COc1cc(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000129899785 370128212 /nfs/dbraw/zinc/12/82/12/370128212.db2.gz NBIZSVORSSCZPT-UWVGGRQHSA-N 1 0 293.323 1.426 20 5 CDBDRO CC[C@H](C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[NH+](C)C ZINC000272844392 370225285 /nfs/dbraw/zinc/22/52/85/370225285.db2.gz HCAIBRQNDBUVQE-SNVBAGLBSA-N 1 0 281.312 1.882 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094339788 139694625 /nfs/dbraw/zinc/69/46/25/139694625.db2.gz JGLYHEGQRURTEI-GHMZBOCLSA-N 1 0 277.324 1.713 20 5 CDBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000094340638 139694936 /nfs/dbraw/zinc/69/49/36/139694936.db2.gz FRUCEGZOGLQZCA-SKDRFNHKSA-N 1 0 278.312 1.796 20 5 CDBDRO COc1ccc(CNC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000414844011 370585913 /nfs/dbraw/zinc/58/59/13/370585913.db2.gz KKBIPUUQGSNREL-NSHDSACASA-N 1 0 265.313 1.445 20 5 CDBDRO Cc1c(CC(=O)N[C@@H](C[NH3+])CC(C)C)cccc1[N+](=O)[O-] ZINC000422827964 245306015 /nfs/dbraw/zinc/30/60/15/245306015.db2.gz FMRKCEDYKLAJDF-CYBMUJFWSA-N 1 0 293.367 1.935 20 5 CDBDRO CN1CC[NH2+]C[C@@H]1CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414971845 371196950 /nfs/dbraw/zinc/19/69/50/371196950.db2.gz WXDVRRHDOKNZFC-SDQPKGBYSA-N 1 0 290.367 1.101 20 5 CDBDRO C[C@H](CO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000086632160 371704272 /nfs/dbraw/zinc/70/42/72/371704272.db2.gz FBASKBCHQPELRR-QMMMGPOBSA-N 1 0 258.705 1.966 20 5 CDBDRO O=C(C[NH2+]C1CC1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000178919547 372224222 /nfs/dbraw/zinc/22/42/22/372224222.db2.gz VGLXJIDQERTIMX-UHFFFAOYSA-N 1 0 291.351 1.786 20 5 CDBDRO C[C@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000422985498 245466220 /nfs/dbraw/zinc/46/62/20/245466220.db2.gz FBQFMCDJSLQEHV-PXWWUCIGSA-N 1 0 275.308 1.524 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000389747471 373138199 /nfs/dbraw/zinc/13/81/99/373138199.db2.gz HVSWZEPDKFXSAC-GGCNOCFKSA-N 1 0 289.335 1.722 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000347074572 373291628 /nfs/dbraw/zinc/29/16/28/373291628.db2.gz SYFPWQUUHUZKFI-LBPRGKRZSA-N 1 0 263.341 1.945 20 5 CDBDRO C[N@@H+]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000298676370 373765680 /nfs/dbraw/zinc/76/56/80/373765680.db2.gz RCNZWZZMUREQOT-UHFFFAOYSA-N 1 0 292.339 1.171 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2C2CC2)n1 ZINC000368403131 373838147 /nfs/dbraw/zinc/83/81/47/373838147.db2.gz AJWCDROCTRHOSY-NSHDSACASA-N 1 0 250.302 1.666 20 5 CDBDRO [NH3+][C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000417769901 374253058 /nfs/dbraw/zinc/25/30/58/374253058.db2.gz SXLBAEWKTLDQOV-GFCCVEGCSA-N 1 0 292.339 1.174 20 5 CDBDRO C[C@H](NC(=O)N1CC[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000418238578 374259269 /nfs/dbraw/zinc/25/92/69/374259269.db2.gz XLLANEHFEDKTIA-ONGXEEELSA-N 1 0 278.312 1.398 20 5 CDBDRO C[C@H](NC(=O)N[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000418239070 374259686 /nfs/dbraw/zinc/25/96/86/374259686.db2.gz YBLFHDJBVLFIKN-GXSJLCMTSA-N 1 0 278.312 1.317 20 5 CDBDRO CN(c1ncc([N+](=O)[O-])cc1F)C1CC[NH2+]CC1 ZINC000420142629 374287155 /nfs/dbraw/zinc/28/71/55/374287155.db2.gz VBFRCJVUEHHZOA-UHFFFAOYSA-N 1 0 254.265 1.317 20 5 CDBDRO C[C@@H](NC(=O)CC1(C[NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000422991587 374366569 /nfs/dbraw/zinc/36/65/69/374366569.db2.gz OVNJOHTXLFOJNJ-SNVBAGLBSA-N 1 0 277.324 1.901 20 5 CDBDRO C[C@H](C[C@@H]1COCCN1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423017393 374367927 /nfs/dbraw/zinc/36/79/27/374367927.db2.gz WGORLJXDWQQPMO-TZMCWYRMSA-N 1 0 293.367 1.494 20 5 CDBDRO C[C@H](C[NH3+])C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423720094 374394289 /nfs/dbraw/zinc/39/42/89/374394289.db2.gz GRFBPHXVOQVXIW-SNVBAGLBSA-N 1 0 277.324 1.681 20 5 CDBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000079050048 374375820 /nfs/dbraw/zinc/37/58/20/374375820.db2.gz QLNKCZJAOGNTSN-ZDUSSCGKSA-N 1 0 295.314 1.804 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000423539837 374390110 /nfs/dbraw/zinc/39/01/10/374390110.db2.gz CCMPOUFPXGFKQS-RNCFNFMXSA-N 1 0 291.351 1.939 20 5 CDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[NH3+] ZINC000424001057 246282090 /nfs/dbraw/zinc/28/20/90/246282090.db2.gz MOXLUAAAARKLAM-UHFFFAOYSA-N 1 0 283.353 1.738 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2Cc3cccc(O)c3C2)n1 ZINC000429258259 374577053 /nfs/dbraw/zinc/57/70/53/374577053.db2.gz GZAQAFHSTVAAMK-LLVKDONJSA-N 1 0 288.307 1.254 20 5 CDBDRO CSC[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000429313616 374581315 /nfs/dbraw/zinc/58/13/15/374581315.db2.gz XQLAPDGUUCGSNC-LLVKDONJSA-N 1 0 284.385 1.866 20 5 CDBDRO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[C@H]1[NH3+] ZINC000429159159 374570385 /nfs/dbraw/zinc/57/03/85/374570385.db2.gz FEZZZVKKAWKNGE-OIBJUYFYSA-N 1 0 296.302 1.125 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000274411011 374673628 /nfs/dbraw/zinc/67/36/28/374673628.db2.gz CBBIJDACXFOSGP-SNVBAGLBSA-N 1 0 281.312 1.790 20 5 CDBDRO Cc1c(C[NH2+][C@@H](CO)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000447920940 374723885 /nfs/dbraw/zinc/72/38/85/374723885.db2.gz YQEQATHKKNNJQC-JSGCOSHPSA-N 1 0 280.324 1.533 20 5 CDBDRO C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1CCO ZINC000449530909 374818705 /nfs/dbraw/zinc/81/87/05/374818705.db2.gz FKDLDRWDTZPALQ-PHIMTYICSA-N 1 0 299.396 1.543 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](C)O ZINC000449154496 374787214 /nfs/dbraw/zinc/78/72/14/374787214.db2.gz NNDCRQOGSNSGLN-MNOVXSKESA-N 1 0 252.314 1.886 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[C@@H]1CCCC[N@H+]1C ZINC000330500272 374858095 /nfs/dbraw/zinc/85/80/95/374858095.db2.gz NWCACTBAGDSDDV-NSHDSACASA-N 1 0 252.318 1.974 20 5 CDBDRO CC[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331262195 374917724 /nfs/dbraw/zinc/91/77/24/374917724.db2.gz CVEBOFNILCVOGJ-CMPLNLGQSA-N 1 0 268.317 1.027 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000331474099 374959272 /nfs/dbraw/zinc/95/92/72/374959272.db2.gz IQDBUHKCPWSRIY-SNVBAGLBSA-N 1 0 293.298 1.700 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000125659187 375049732 /nfs/dbraw/zinc/04/97/32/375049732.db2.gz DSDSOEUTQXVQPJ-UHFFFAOYSA-N 1 0 251.286 1.276 20 5 CDBDRO C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000299600674 375185695 /nfs/dbraw/zinc/18/56/95/375185695.db2.gz GDHZGWFKCTTXRX-SECBINFHSA-N 1 0 263.297 1.536 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)C[NH+](C)C ZINC000351145373 375272439 /nfs/dbraw/zinc/27/24/39/375272439.db2.gz NUMWGAPWTIJRBV-SECBINFHSA-N 1 0 296.327 1.675 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000351938037 375342864 /nfs/dbraw/zinc/34/28/64/375342864.db2.gz WTNIJYUSUPFNAK-CHWSQXEVSA-N 1 0 293.367 1.998 20 5 CDBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000352121156 375352941 /nfs/dbraw/zinc/35/29/41/375352941.db2.gz OIKDTJFHNOYCSU-AWEZNQCLSA-N 1 0 295.339 1.027 20 5 CDBDRO COC[C@@H](O)CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344787249 375445979 /nfs/dbraw/zinc/44/59/79/375445979.db2.gz DDHOBFAQAAIHMO-JQVXPOPVSA-N 1 0 294.351 1.985 20 5 CDBDRO C[C@H]1CSC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000352797202 375540093 /nfs/dbraw/zinc/54/00/93/375540093.db2.gz IFCDJJZXNPQLNG-IUCAKERBSA-N 1 0 256.331 1.132 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000132466268 375500038 /nfs/dbraw/zinc/50/00/38/375500038.db2.gz VLXLQYKZIBVNGF-QMMMGPOBSA-N 1 0 281.337 1.490 20 5 CDBDRO O=[N+]([O-])c1cccc(OCCN2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428047703 247236073 /nfs/dbraw/zinc/23/60/73/247236073.db2.gz ZGQNTAZMNVTUMD-WFASDCNBSA-N 1 0 291.351 1.657 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)CC(F)F)cs1 ZINC000428658591 247342749 /nfs/dbraw/zinc/34/27/49/247342749.db2.gz XOGODXUHKMDVGX-SSDOTTSWSA-N 1 0 266.269 1.762 20 5 CDBDRO Cc1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000357109252 375887859 /nfs/dbraw/zinc/88/78/59/375887859.db2.gz XDEVWKVCPPZJQS-ZIAGYGMSSA-N 1 0 275.352 1.945 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428965123 247390628 /nfs/dbraw/zinc/39/06/28/247390628.db2.gz QFNBCYCSXSYWIN-GXSJLCMTSA-N 1 0 292.339 1.416 20 5 CDBDRO C[N@H+](CCCC(=O)NC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC000195178042 375993689 /nfs/dbraw/zinc/99/36/89/375993689.db2.gz PJIYVVSLGRVWMR-UHFFFAOYSA-N 1 0 294.311 1.002 20 5 CDBDRO COCCOC[C@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000296455388 376159832 /nfs/dbraw/zinc/15/98/32/376159832.db2.gz IYCUBASCQPPANI-CYBMUJFWSA-N 1 0 298.339 1.051 20 5 CDBDRO CC[N@H+](C)CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000171167708 376328874 /nfs/dbraw/zinc/32/88/74/376328874.db2.gz FNLODMHCTJXFJH-UHFFFAOYSA-N 1 0 294.355 1.388 20 5 CDBDRO C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)[NH2+]1 ZINC000430961071 247740052 /nfs/dbraw/zinc/74/00/52/247740052.db2.gz MEDRAUVRQBAYCG-VXGBXAGGSA-N 1 0 279.340 1.656 20 5 CDBDRO C[C@H]1[NH2+]CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000436052201 248218950 /nfs/dbraw/zinc/21/89/50/248218950.db2.gz CGIHWYWFLCAWNQ-NEPJUHHUSA-N 1 0 279.340 1.656 20 5 CDBDRO COCC[C@@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000172070530 377240253 /nfs/dbraw/zinc/24/02/53/377240253.db2.gz VORLLKQPKWVIQN-CYBMUJFWSA-N 1 0 268.313 1.472 20 5 CDBDRO COCC[C@](C)(O)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000172069880 377240747 /nfs/dbraw/zinc/24/07/47/377240747.db2.gz ZRCKCZGNGJHINA-AWEZNQCLSA-N 1 0 298.339 1.481 20 5 CDBDRO C[C@@H]1[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000345166584 377404456 /nfs/dbraw/zinc/40/44/56/377404456.db2.gz SQUNEEYHRCNZNN-NXEZZACHSA-N 1 0 293.327 1.016 20 5 CDBDRO C[C@H](Cn1cncn1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266834969 377463582 /nfs/dbraw/zinc/46/35/82/377463582.db2.gz FITSQDJGHMSAAF-MNOVXSKESA-N 1 0 275.312 1.926 20 5 CDBDRO CC(C)[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000345347067 378164048 /nfs/dbraw/zinc/16/40/48/378164048.db2.gz KYSGIWWHJCEMDP-UHFFFAOYSA-N 1 0 282.344 1.393 20 5 CDBDRO C[C@H](c1ccco1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173583473 378668487 /nfs/dbraw/zinc/66/84/87/378668487.db2.gz GGBFAOMMHQROCV-PWSUYJOCSA-N 1 0 294.311 1.438 20 5 CDBDRO [NH3+][C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000261945414 295331826 /nfs/dbraw/zinc/33/18/26/295331826.db2.gz OGPDTMBPVLWWLG-SNVBAGLBSA-N 1 0 283.715 1.715 20 5 CDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC[NH2+]1 ZINC000444142244 250086926 /nfs/dbraw/zinc/08/69/26/250086926.db2.gz PQZLFMNTUFNYNA-CYBMUJFWSA-N 1 0 277.324 1.694 20 5 CDBDRO O=CN1CCC([NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000278744895 194133604 /nfs/dbraw/zinc/13/36/04/194133604.db2.gz NLHCTAWTQGKNQK-UHFFFAOYSA-N 1 0 277.324 1.348 20 5 CDBDRO C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000449590554 250919742 /nfs/dbraw/zinc/91/97/42/250919742.db2.gz LICUCDBVOKFFTC-DTWKUNHWSA-N 1 0 292.339 1.635 20 5 CDBDRO C[NH+](C)CC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452864457 252192907 /nfs/dbraw/zinc/19/29/07/252192907.db2.gz WKZDLBHMXONQAO-ZDUSSCGKSA-N 1 0 291.351 1.862 20 5 CDBDRO C[NH+](C)C/C=C/C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000491627354 253093884 /nfs/dbraw/zinc/09/38/84/253093884.db2.gz DKKYJNSBVQFUMH-ONEGZZNKSA-N 1 0 275.308 1.602 20 5 CDBDRO C[NH+](C)C/C=C/C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000492114140 253158224 /nfs/dbraw/zinc/15/82/24/253158224.db2.gz ZAFRWUBOXFQRKZ-ONEGZZNKSA-N 1 0 289.335 1.597 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/CN[C@H]1CCC[NH2+]C1 ZINC000414861096 285160124 /nfs/dbraw/zinc/16/01/24/285160124.db2.gz DXMPMRUOQOJAAL-YIALFULDSA-N 1 0 261.325 1.950 20 5 CDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000288425996 197075111 /nfs/dbraw/zinc/07/51/11/197075111.db2.gz OALKQGLKFLHEKV-VHSXEESVSA-N 1 0 293.327 1.017 20 5 CDBDRO COCC[C@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000281804030 195387929 /nfs/dbraw/zinc/38/79/29/195387929.db2.gz YMVGTJSKVMVXKO-CMPLNLGQSA-N 1 0 268.313 1.643 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000177685679 390432461 /nfs/dbraw/zinc/43/24/61/390432461.db2.gz VNWURJXVGQGRGX-UHFFFAOYSA-N 1 0 265.313 1.157 20 5 CDBDRO C[NH2+][C@H]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000261701323 390494429 /nfs/dbraw/zinc/49/44/29/390494429.db2.gz ILIPBOIWRUGWOC-QMMMGPOBSA-N 1 0 293.352 1.788 20 5 CDBDRO CO[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000451486321 390626976 /nfs/dbraw/zinc/62/69/76/390626976.db2.gz DREPDEVLQYFVBQ-WDEREUQCSA-N 1 0 268.317 1.194 20 5 CDBDRO O=C(CC[N@@H+]1CC[C@@H](F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000451186923 390603353 /nfs/dbraw/zinc/60/33/53/390603353.db2.gz CCACGYFJCHRTQX-SNVBAGLBSA-N 1 0 281.287 1.967 20 5 CDBDRO [NH3+][C@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000050244182 390826980 /nfs/dbraw/zinc/82/69/80/390826980.db2.gz WVTWIKCITLEAHH-VIFPVBQESA-N 1 0 258.281 1.680 20 5 CDBDRO COC[C@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000452096678 391017419 /nfs/dbraw/zinc/01/74/19/391017419.db2.gz YMDMQZLTCSDYCW-NSHDSACASA-N 1 0 282.344 1.577 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000159404690 391046453 /nfs/dbraw/zinc/04/64/53/391046453.db2.gz XAIUYSPUMBHSSP-MFKMUULPSA-N 1 0 250.298 1.798 20 5 CDBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000111828999 391116600 /nfs/dbraw/zinc/11/66/00/391116600.db2.gz LDTNCLDMHTWSAC-SNVBAGLBSA-N 1 0 283.303 1.837 20 5 CDBDRO C[C@H]1CC(=O)NCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000367669433 391242048 /nfs/dbraw/zinc/24/20/48/391242048.db2.gz KTTBFRZATVXLAX-FUEXJSSKSA-N 1 0 289.335 1.818 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000519709182 391203982 /nfs/dbraw/zinc/20/39/82/391203982.db2.gz RIBFBTJWWPMBHJ-BQBZGAKWSA-N 1 0 284.291 1.172 20 5 CDBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)Nc1ccncc1[N+](=O)[O-] ZINC000415377087 391376802 /nfs/dbraw/zinc/37/68/02/391376802.db2.gz ANWCEYKGGQQYAM-JTQLQIEISA-N 1 0 293.327 1.065 20 5 CDBDRO Cc1cc(NC(=O)N2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000415427899 391411664 /nfs/dbraw/zinc/41/16/64/391411664.db2.gz GUFPNBXFKCQRLH-JTQLQIEISA-N 1 0 278.312 1.716 20 5 CDBDRO Cc1cc(NC(=O)N2CC[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000415410674 391402297 /nfs/dbraw/zinc/40/22/97/391402297.db2.gz AIHTYAUPJSBVFA-SNVBAGLBSA-N 1 0 278.312 1.729 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000567915746 391547397 /nfs/dbraw/zinc/54/73/97/391547397.db2.gz LUYIAUWTUXHRKN-JTQLQIEISA-N 1 0 292.339 1.378 20 5 CDBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](C)CO ZINC000292371447 391627280 /nfs/dbraw/zinc/62/72/80/391627280.db2.gz YPDZOWJQLZAHQD-NEPJUHHUSA-N 1 0 298.339 1.037 20 5 CDBDRO Cc1ccc(NC[C@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000358351336 391591937 /nfs/dbraw/zinc/59/19/37/391591937.db2.gz LXKIVCQVVUVOCA-CYBMUJFWSA-N 1 0 265.313 1.382 20 5 CDBDRO COC[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088608103 391693668 /nfs/dbraw/zinc/69/36/68/391693668.db2.gz DCSUMUCBRBKZOH-SNVBAGLBSA-N 1 0 250.298 1.988 20 5 CDBDRO C[C@@H](O)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000190927623 130162665 /nfs/dbraw/zinc/16/26/65/130162665.db2.gz QHFLATCZJHHCQY-NWDGAFQWSA-N 1 0 282.340 1.201 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111010234 391848815 /nfs/dbraw/zinc/84/88/15/391848815.db2.gz LQRLDBWLJARJNF-QMMMGPOBSA-N 1 0 283.715 1.730 20 5 CDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000574205304 391874419 /nfs/dbraw/zinc/87/44/19/391874419.db2.gz YRSBYBLXXUVECM-JTQLQIEISA-N 1 0 280.328 1.147 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000357563306 391940071 /nfs/dbraw/zinc/94/00/71/391940071.db2.gz HGOLJAJPMMBSJY-SNVBAGLBSA-N 1 0 294.355 1.834 20 5 CDBDRO COc1ccc(C(=O)NCC2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000416291022 391983171 /nfs/dbraw/zinc/98/31/71/391983171.db2.gz NGQXPKWZFLHXDM-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000228393101 130867626 /nfs/dbraw/zinc/86/76/26/130867626.db2.gz TUMYFUSSYCZXDY-ZDUSSCGKSA-N 1 0 291.351 1.867 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000237628895 131049066 /nfs/dbraw/zinc/04/90/66/131049066.db2.gz DITXJQQWVBDSSE-VHODGJRUSA-N 1 0 263.297 1.414 20 5 CDBDRO [NH3+]C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000237863631 131061863 /nfs/dbraw/zinc/06/18/63/131061863.db2.gz QWLOVUMUNXWAJD-ZDUSSCGKSA-N 1 0 277.324 1.381 20 5 CDBDRO C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247495863 131105300 /nfs/dbraw/zinc/10/53/00/131105300.db2.gz LGXRBMMZYXGHFR-WCQYABFASA-N 1 0 280.324 1.819 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261716320 131164468 /nfs/dbraw/zinc/16/44/68/131164468.db2.gz PPCKKHAWMJGPKG-RYUDHWBXSA-N 1 0 289.335 1.585 20 5 CDBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000263741884 131320241 /nfs/dbraw/zinc/32/02/41/131320241.db2.gz RNQDKONQEKKCEK-YPMHNXCESA-N 1 0 280.324 1.676 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC(CC(N)=O)C1 ZINC000459634802 392494216 /nfs/dbraw/zinc/49/42/16/392494216.db2.gz SIHFUHWPEIIIGS-VZUCSPMQSA-N 1 0 289.335 1.805 20 5 CDBDRO CO[C@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]1OC ZINC000488553299 392694393 /nfs/dbraw/zinc/69/43/93/392694393.db2.gz DPIASKWAKKFFQB-KBPBESRZSA-N 1 0 280.324 1.749 20 5 CDBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420252969 392915005 /nfs/dbraw/zinc/91/50/05/392915005.db2.gz CPYDLNDDAOYFNC-NEPJUHHUSA-N 1 0 289.335 1.843 20 5 CDBDRO CC[C@H](C)C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000268048196 131950488 /nfs/dbraw/zinc/95/04/88/131950488.db2.gz YPJVDUWOCSPLGM-ZLKJLUDKSA-N 1 0 282.340 1.625 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000522213084 392874262 /nfs/dbraw/zinc/87/42/62/392874262.db2.gz JGQDAYOMGWICMN-JTQLQIEISA-N 1 0 280.328 1.383 20 5 CDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1CCC[NH2+]C1 ZINC000269173054 132124411 /nfs/dbraw/zinc/12/44/11/132124411.db2.gz FZIRAJPIMZTHBV-VHSXEESVSA-N 1 0 292.339 1.295 20 5 CDBDRO COc1cc(C(=O)NCC(C)(C)[NH3+])cc([N+](=O)[O-])c1OC ZINC000269190398 132128229 /nfs/dbraw/zinc/12/82/29/132128229.db2.gz HPHSOLDCBUTFBH-UHFFFAOYSA-N 1 0 297.311 1.079 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000269197410 132129434 /nfs/dbraw/zinc/12/94/34/132129434.db2.gz JCQLWBYVLOGLRG-GXSJLCMTSA-N 1 0 292.339 1.295 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000429975030 393088453 /nfs/dbraw/zinc/08/84/53/393088453.db2.gz NMFLUIUULCGCBX-NSHDSACASA-N 1 0 293.323 1.362 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000429972634 393088539 /nfs/dbraw/zinc/08/85/39/393088539.db2.gz LZVWAFPIRISWSG-KOLCDFICSA-N 1 0 293.323 1.347 20 5 CDBDRO C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000430932139 393105388 /nfs/dbraw/zinc/10/53/88/393105388.db2.gz FRAQRCZPVKOAFX-SMDDNHRTSA-N 1 0 279.340 1.643 20 5 CDBDRO C[C@@H](C[NH3+])N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000430940142 393107289 /nfs/dbraw/zinc/10/72/89/393107289.db2.gz NYYYIGJHCMGGIJ-JTQLQIEISA-N 1 0 253.302 1.253 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449602543 393135428 /nfs/dbraw/zinc/13/54/28/393135428.db2.gz PBZSRJXHJLTWPU-XOIDGJRKSA-N 1 0 277.324 1.722 20 5 CDBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000449746527 393141600 /nfs/dbraw/zinc/14/16/00/393141600.db2.gz SGVLXYJVWXAKTF-BDAKNGLRSA-N 1 0 269.326 1.400 20 5 CDBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1cc(N)ccc1[N+](=O)[O-] ZINC000193434969 393340587 /nfs/dbraw/zinc/34/05/87/393340587.db2.gz POIOXHKPXZQSLV-NSHDSACASA-N 1 0 278.356 1.955 20 5 CDBDRO COc1ccc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000189307917 140112058 /nfs/dbraw/zinc/11/20/58/140112058.db2.gz QITRQLMVTWDBFH-KOLCDFICSA-N 1 0 293.323 1.474 20 5 CDBDRO COCC[NH2+]CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000216078509 140162017 /nfs/dbraw/zinc/16/20/17/140162017.db2.gz WHHAGGRRDHBVSC-UHFFFAOYSA-N 1 0 290.323 1.791 20 5 CDBDRO Cc1cccc(NC[C@](C)(O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000218870708 140165342 /nfs/dbraw/zinc/16/53/42/140165342.db2.gz FASNRHNABMENPZ-ZDUSSCGKSA-N 1 0 267.329 1.628 20 5 CDBDRO [NH3+]C1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCC1 ZINC000230066952 140207110 /nfs/dbraw/zinc/20/71/10/140207110.db2.gz AIEMHBDKVHMJEY-UHFFFAOYSA-N 1 0 267.260 1.345 20 5 CDBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000232867620 140224342 /nfs/dbraw/zinc/22/43/42/140224342.db2.gz SKETWQIXGHUREC-LLVKDONJSA-N 1 0 280.328 1.431 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000236051719 140238577 /nfs/dbraw/zinc/23/85/77/140238577.db2.gz XLLFVQWGKSYQKE-ZETCQYMHSA-N 1 0 256.693 1.807 20 5 CDBDRO O=[N+]([O-])c1cc(CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cs1 ZINC000252667941 140320828 /nfs/dbraw/zinc/32/08/28/140320828.db2.gz QEZJHSUECBHFMO-RYUDHWBXSA-N 1 0 297.380 1.609 20 5 CDBDRO C[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C[C@H]1C[NH3+] ZINC000261539579 140343819 /nfs/dbraw/zinc/34/38/19/140343819.db2.gz ACVKVBNSVZIYHG-HTQZYQBOSA-N 1 0 256.331 1.472 20 5 CDBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[NH2+]C1 ZINC000261562780 140349426 /nfs/dbraw/zinc/34/94/26/140349426.db2.gz GQHBAJKCQKHBIU-LLVKDONJSA-N 1 0 253.277 1.528 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261578350 140354849 /nfs/dbraw/zinc/35/48/49/140354849.db2.gz DEUBAOCOEBTBQX-NXEZZACHSA-N 1 0 267.333 1.659 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH2+]C[C@@H]1C ZINC000261712989 140379275 /nfs/dbraw/zinc/37/92/75/140379275.db2.gz DXSWAFQFDXMQKC-NSHDSACASA-N 1 0 292.339 1.135 20 5 CDBDRO COc1cc(N2CC[C@@](C)(C[NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000261793857 140389731 /nfs/dbraw/zinc/38/97/31/140389731.db2.gz QQFQFETXIQBFRO-ZDUSSCGKSA-N 1 0 283.303 1.918 20 5 CDBDRO COC(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000093085008 147033913 /nfs/dbraw/zinc/03/39/13/147033913.db2.gz MXBZRTGFRQXPCN-UHFFFAOYSA-N 1 0 289.291 1.999 20 5 CDBDRO C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000305729107 149146751 /nfs/dbraw/zinc/14/67/51/149146751.db2.gz MRHMQBAASYSSMG-WZRBSPASSA-N 1 0 282.344 1.130 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCSC[C@H]2CO)cc1 ZINC000343773705 152297255 /nfs/dbraw/zinc/29/72/55/152297255.db2.gz UULVMDVIEYLDAL-GFCCVEGCSA-N 1 0 298.364 1.383 20 5 CDBDRO COc1ccc(OCCN2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000346104322 153054046 /nfs/dbraw/zinc/05/40/46/153054046.db2.gz WPGMRNDWFGWTKC-NSHDSACASA-N 1 0 295.339 1.405 20 5 CDBDRO C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000346210477 153097877 /nfs/dbraw/zinc/09/78/77/153097877.db2.gz OWUKXJWURVZFLF-MRVPVSSYSA-N 1 0 285.731 1.928 20 5 CDBDRO CCN(CCO)CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000346210129 153097907 /nfs/dbraw/zinc/09/79/07/153097907.db2.gz GREZZCUGNCJLSL-ALCCZGGFSA-N 1 0 293.367 1.512 20 5 CDBDRO CO[C@@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000346863126 153331774 /nfs/dbraw/zinc/33/17/74/153331774.db2.gz XDIFYBSQCNHJKM-ZIAGYGMSSA-N 1 0 293.367 1.841 20 5 CDBDRO CO[C@@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000346863125 153332274 /nfs/dbraw/zinc/33/22/74/153332274.db2.gz XDIFYBSQCNHJKM-UONOGXRCSA-N 1 0 293.367 1.841 20 5 CDBDRO CC[NH+](CC)CCCCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000347406127 153517025 /nfs/dbraw/zinc/51/70/25/153517025.db2.gz FTZDXGBUOAYTAH-UHFFFAOYSA-N 1 0 297.359 1.180 20 5 CDBDRO COCCN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1F ZINC000349327863 154090515 /nfs/dbraw/zinc/09/05/15/154090515.db2.gz GJUFRYALIPQHCK-UHFFFAOYSA-N 1 0 299.346 1.744 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000349934560 154275944 /nfs/dbraw/zinc/27/59/44/154275944.db2.gz HUUPIQMXUQCQFY-MRVPVSSYSA-N 1 0 285.731 1.644 20 5 CDBDRO Cc1cccc(C(=O)N(C)[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000071310122 292413155 /nfs/dbraw/zinc/41/31/55/292413155.db2.gz NMUDOTYXTYQEOX-SNVBAGLBSA-N 1 0 263.297 1.337 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC2CCC1CC2 ZINC000371390909 160004372 /nfs/dbraw/zinc/00/43/72/160004372.db2.gz YKIRRSWXXWRPDF-UHFFFAOYSA-N 1 0 277.324 1.631 20 5 CDBDRO Cc1c(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cccc1[N+](=O)[O-] ZINC000372906667 160157058 /nfs/dbraw/zinc/15/70/58/160157058.db2.gz CWYDBSGKUKRNBM-DGCLKSJQSA-N 1 0 289.335 1.727 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000374401636 160282752 /nfs/dbraw/zinc/28/27/52/160282752.db2.gz RFWJIVIZDOWYLT-NWDGAFQWSA-N 1 0 280.328 1.150 20 5 CDBDRO C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285356291 196259548 /nfs/dbraw/zinc/25/95/48/196259548.db2.gz VKXJPHORTFYTDO-ARNPGYACSA-N 1 0 299.396 1.985 20 5 CDBDRO C[NH+](C)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C(C)(C)C ZINC000285447958 196287444 /nfs/dbraw/zinc/28/74/44/196287444.db2.gz ISJOMZKOBAGUAV-SNVBAGLBSA-N 1 0 297.359 1.414 20 5 CDBDRO CC[N@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000273233437 414109979 /nfs/dbraw/zinc/10/99/79/414109979.db2.gz XKNNWORMNUTRLW-SNVBAGLBSA-N 1 0 265.317 1.163 20 5 CDBDRO C[NH+](C)CCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000042566207 174799978 /nfs/dbraw/zinc/79/99/78/174799978.db2.gz NOFMYORKZSJVBD-UHFFFAOYSA-N 1 0 257.315 1.338 20 5 CDBDRO COCCOCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000044424315 175174340 /nfs/dbraw/zinc/17/43/40/175174340.db2.gz BRYRFSBSRRHXNL-UHFFFAOYSA-N 1 0 254.286 1.347 20 5 CDBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1F ZINC000044491675 175181153 /nfs/dbraw/zinc/18/11/53/175181153.db2.gz YPVAVHXSUNBQMW-SECBINFHSA-N 1 0 281.287 1.606 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000044501380 175185762 /nfs/dbraw/zinc/18/57/62/175185762.db2.gz HEFAWTCRXFENQR-JTQLQIEISA-N 1 0 263.297 1.324 20 5 CDBDRO [NH3+]CC1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000044512452 175188261 /nfs/dbraw/zinc/18/82/61/175188261.db2.gz ZWQVLJVEWPAWHK-UHFFFAOYSA-N 1 0 269.326 1.467 20 5 CDBDRO COCCOCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000044694043 175235068 /nfs/dbraw/zinc/23/50/68/175235068.db2.gz MGPUTOQTIWPVOY-NSHDSACASA-N 1 0 268.313 1.908 20 5 CDBDRO CCCNC(=O)CC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000045074068 175302576 /nfs/dbraw/zinc/30/25/76/175302576.db2.gz YFIXZVNOOGQHMX-UHFFFAOYSA-N 1 0 295.339 1.609 20 5 CDBDRO C[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000045107540 175308072 /nfs/dbraw/zinc/30/80/72/175308072.db2.gz XMCTXFXCHZGEOZ-NSHDSACASA-N 1 0 251.330 1.677 20 5 CDBDRO CN(CCN1CC[NH2+]CC1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000071150162 176045375 /nfs/dbraw/zinc/04/53/75/176045375.db2.gz QTAMALFEKSPDMB-UHFFFAOYSA-N 1 0 296.346 1.071 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000071893375 176291399 /nfs/dbraw/zinc/29/13/99/176291399.db2.gz HKWWREZTVUWPFF-GFCCVEGCSA-N 1 0 277.324 1.205 20 5 CDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCC[C@H]1CC[NH2+]C1 ZINC000215354756 260558195 /nfs/dbraw/zinc/55/81/95/260558195.db2.gz IGGSGFNBRWWJAH-FOQNGQEVSA-N 1 0 289.335 1.724 20 5 CDBDRO C[C@@H](CO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192909448 274228719 /nfs/dbraw/zinc/22/87/19/274228719.db2.gz ZZZMFULOAVGKLA-ZANVPECISA-N 1 0 250.298 1.943 20 5 CDBDRO CN1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103464785 270234913 /nfs/dbraw/zinc/23/49/13/270234913.db2.gz WEZSTNCGLGGJJL-UHFFFAOYSA-N 1 0 253.277 1.481 20 5 CDBDRO C[C@@](C[NH3+])(NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000313263696 270324674 /nfs/dbraw/zinc/32/46/74/270324674.db2.gz DUBOSBFDKDBOBM-NOKKCYSASA-N 1 0 289.335 1.852 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000397181798 270346743 /nfs/dbraw/zinc/34/67/43/270346743.db2.gz JNXCZUFRCQXKJI-UHFFFAOYSA-N 1 0 266.301 1.844 20 5 CDBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1C[NH3+] ZINC000397376063 270349765 /nfs/dbraw/zinc/34/97/65/270349765.db2.gz IPOHUBBTTBJJFD-KXUCPTDWSA-N 1 0 280.328 1.368 20 5 CDBDRO CC[C@](C)([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000133200952 273765283 /nfs/dbraw/zinc/76/52/83/273765283.db2.gz JKKHHAHHZFDHNY-ZDUSSCGKSA-N 1 0 281.312 1.217 20 5 CDBDRO C[C@H](CO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192721297 274494525 /nfs/dbraw/zinc/49/45/25/274494525.db2.gz ZZZMFULOAVGKLA-NOZJJQNGSA-N 1 0 250.298 1.943 20 5 CDBDRO Nc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000193456221 274964822 /nfs/dbraw/zinc/96/48/22/274964822.db2.gz MBPNNPMYBWZNNK-GFCCVEGCSA-N 1 0 274.324 1.628 20 5 CDBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)nc1 ZINC000301725459 275037127 /nfs/dbraw/zinc/03/71/27/275037127.db2.gz PPZRKHQSCOMGGZ-ZDUSSCGKSA-N 1 0 292.339 1.655 20 5 CDBDRO O=[N+]([O-])c1ccccc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000363086747 275040232 /nfs/dbraw/zinc/04/02/32/275040232.db2.gz HEHHWUNPHKCUNN-HUUCEWRRSA-N 1 0 291.351 1.630 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000250819796 275041434 /nfs/dbraw/zinc/04/14/34/275041434.db2.gz XKBRWLFXJDZZKR-ZJUUUORDSA-N 1 0 263.301 1.424 20 5 CDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000262475168 276290881 /nfs/dbraw/zinc/29/08/81/276290881.db2.gz YTSSGPJBNYOEJA-NSHDSACASA-N 1 0 292.339 1.391 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000127699936 277277958 /nfs/dbraw/zinc/27/79/58/277277958.db2.gz RGJFPROGQKNVNL-LBPRGKRZSA-N 1 0 277.324 1.727 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(c2ncc(C)cc2[N+](=O)[O-])C1 ZINC000090692550 277283696 /nfs/dbraw/zinc/28/36/96/277283696.db2.gz DPARFFBOMLELRO-LLVKDONJSA-N 1 0 264.329 1.734 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000135243176 277284829 /nfs/dbraw/zinc/28/48/29/277284829.db2.gz QOZJNDNBTKAMMJ-GFCCVEGCSA-N 1 0 277.324 1.727 20 5 CDBDRO CS[C@@H]1CN(c2ncc(C)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270932030 277524693 /nfs/dbraw/zinc/52/46/93/277524693.db2.gz CSUVPCGSCKXIMC-VXGBXAGGSA-N 1 0 296.396 1.780 20 5 CDBDRO C[C@@H](CCO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449155606 277565364 /nfs/dbraw/zinc/56/53/64/277565364.db2.gz BOKPXQADHWUWPB-QWRGUYRKSA-N 1 0 252.314 1.886 20 5 CDBDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000331063512 278336418 /nfs/dbraw/zinc/33/64/18/278336418.db2.gz PHAXOYUKIURQOV-UWVGGRQHSA-N 1 0 252.318 1.997 20 5 CDBDRO C[C@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000081902553 279364854 /nfs/dbraw/zinc/36/48/54/279364854.db2.gz RTPBSYUFDALPMD-ZJUUUORDSA-N 1 0 286.353 1.679 20 5 CDBDRO C[C@H](NCC1([NH3+])CCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000342123533 279463208 /nfs/dbraw/zinc/46/32/08/279463208.db2.gz CJUGTGWSTUTLDE-JTQLQIEISA-N 1 0 292.339 1.393 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000127267547 279526542 /nfs/dbraw/zinc/52/65/42/279526542.db2.gz QSYOJIADDBHLBI-WSKFYRRCSA-N 1 0 277.324 1.580 20 5 CDBDRO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000261607327 280114133 /nfs/dbraw/zinc/11/41/33/280114133.db2.gz RSQPALOXYINIKB-OIBJUYFYSA-N 1 0 267.260 1.296 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CC[C@H](O)CC2)c1 ZINC000252708036 280527671 /nfs/dbraw/zinc/52/76/71/280527671.db2.gz YYNKNGRLMZDUEN-AULYBMBSSA-N 1 0 250.298 1.988 20 5 CDBDRO Cc1cnc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000261605200 280533771 /nfs/dbraw/zinc/53/37/71/280533771.db2.gz REXHDURKHCJCOM-WDEREUQCSA-N 1 0 262.313 1.344 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000127363510 280664755 /nfs/dbraw/zinc/66/47/55/280664755.db2.gz NEFBVOVMFGIYPJ-NXEZZACHSA-N 1 0 250.302 1.472 20 5 CDBDRO C[C@H](CCC1CC1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000398139086 280712890 /nfs/dbraw/zinc/71/28/90/280712890.db2.gz NLUSXPNFOATQOI-MFKMUULPSA-N 1 0 282.344 1.321 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000547960890 289823651 /nfs/dbraw/zinc/82/36/51/289823651.db2.gz SUAZGQHKMODJIL-GFCCVEGCSA-N 1 0 293.371 1.783 20 5 CDBDRO C[C@H]([NH3+])C1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000563141647 293288141 /nfs/dbraw/zinc/28/81/41/293288141.db2.gz FZIABLNNYGPKQQ-VIFPVBQESA-N 1 0 292.339 1.376 20 5 CDBDRO Cc1c(CC(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000567245606 293743442 /nfs/dbraw/zinc/74/34/42/293743442.db2.gz RWVWLFUQRIEKHA-GWCFXTLKSA-N 1 0 291.351 1.784 20 5 CDBDRO CC[C@@H]1CN(C)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000570715603 294295127 /nfs/dbraw/zinc/29/51/27/294295127.db2.gz ZHJHPUNWKPOOBN-SECBINFHSA-N 1 0 283.353 1.823 20 5 CDBDRO CCc1nn(C)c(N2CC[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000573214994 294775738 /nfs/dbraw/zinc/77/57/38/294775738.db2.gz RQACWLIQUSHMMA-SNVBAGLBSA-N 1 0 281.360 1.279 20 5 CDBDRO COC(C)(C)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000563952662 316403850 /nfs/dbraw/zinc/40/38/50/316403850.db2.gz PCBJPOCIOJLTTF-LLVKDONJSA-N 1 0 298.339 1.349 20 5 CDBDRO CC(C)[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000575826610 317022236 /nfs/dbraw/zinc/02/22/36/317022236.db2.gz GTPSJEHWWDZCMF-JHJVBQTASA-N 1 0 296.371 1.882 20 5 CDBDRO CNc1nc(C(=O)N[C@H](C)c2ncc[nH]2)ccc1[N+](=O)[O-] ZINC000577293494 317303912 /nfs/dbraw/zinc/30/39/12/317303912.db2.gz MHMUWMDQKLXZIP-SSDOTTSWSA-N 1 0 290.283 1.246 20 5 CDBDRO CCC1(CC)[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C[C@H]1OC ZINC000182037099 323259210 /nfs/dbraw/zinc/25/92/10/323259210.db2.gz ZGAHNTZUBWDCCO-CHWSQXEVSA-N 1 0 296.371 1.975 20 5 CDBDRO CCOC(=O)C[C@@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000182646919 323291602 /nfs/dbraw/zinc/29/16/02/323291602.db2.gz NKOXCTSAIXTTHG-SNVBAGLBSA-N 1 0 284.316 1.065 20 5 CDBDRO C[C@@H](C(=O)NCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000184737783 323371276 /nfs/dbraw/zinc/37/12/76/323371276.db2.gz UMWLUXRZLGKNKY-SECBINFHSA-N 1 0 283.303 1.515 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000382513754 323644029 /nfs/dbraw/zinc/64/40/29/323644029.db2.gz QFKLMWPBWAUBDV-WDEREUQCSA-N 1 0 277.324 1.903 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CC12CC2 ZINC000579345012 324160679 /nfs/dbraw/zinc/16/06/79/324160679.db2.gz SPSDUABIVZVHSR-RYUDHWBXSA-N 1 0 292.335 1.724 20 5 CDBDRO O=C([C@@H]1CCC[NH2+]1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000581803811 324835549 /nfs/dbraw/zinc/83/55/49/324835549.db2.gz BOTLWAJLCXLGCC-JTQLQIEISA-N 1 0 261.281 1.236 20 5 CDBDRO COC(C)(C)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000160257408 1160780495 /nfs/dbraw/zinc/78/04/95/1160780495.db2.gz OKRLCPSHSQUKRF-LBPRGKRZSA-N 1 0 268.313 1.643 20 5 CDBDRO CCC[C@](C)(O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000230702613 1161044792 /nfs/dbraw/zinc/04/47/92/1161044792.db2.gz WWHHRZRGNCEEIZ-KGLIPLIRSA-N 1 0 282.340 1.769 20 5 CDBDRO Cc1c(CNC(=O)N[C@H](C)CC[NH3+])cccc1[N+](=O)[O-] ZINC000418079264 533859717 /nfs/dbraw/zinc/85/97/17/533859717.db2.gz KRCVKNZQLQZYNB-SECBINFHSA-N 1 0 280.328 1.440 20 5 CDBDRO CCC(=O)N1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168967506 1161996204 /nfs/dbraw/zinc/99/62/04/1161996204.db2.gz QGXUZZDJZHCDJJ-DGCLKSJQSA-N 1 0 283.372 1.422 20 5 CDBDRO NC(=O)c1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168967709 1161996323 /nfs/dbraw/zinc/99/63/23/1161996323.db2.gz SOOKXWJDCYSGEJ-AAEUAGOBSA-N 1 0 277.324 1.321 20 5 CDBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)C[C@H]1C ZINC000354355159 521714602 /nfs/dbraw/zinc/71/46/02/521714602.db2.gz XQCMOHCBFCILPS-NXEZZACHSA-N 1 0 294.359 1.106 20 5 CDBDRO COc1ccc(C(=O)NCC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000063170333 523699772 /nfs/dbraw/zinc/69/97/72/523699772.db2.gz GUNJRVWZWFEUQM-MRVPVSSYSA-N 1 0 267.285 1.071 20 5 CDBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000068806322 523889805 /nfs/dbraw/zinc/88/98/05/523889805.db2.gz HTNHYVATJSTLFI-LLVKDONJSA-N 1 0 298.774 1.906 20 5 CDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CCC[NH2+]C1 ZINC000050162325 525314885 /nfs/dbraw/zinc/31/48/85/525314885.db2.gz JPZZHXUEKNTSSA-ZJUUUORDSA-N 1 0 280.328 1.051 20 5 CDBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000183693479 525413451 /nfs/dbraw/zinc/41/34/51/525413451.db2.gz ANIUWMHIOIQIBV-MFKMUULPSA-N 1 0 293.323 1.690 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000069134790 525459906 /nfs/dbraw/zinc/45/99/06/525459906.db2.gz FAAVJSSTGYYTLU-PHIMTYICSA-N 1 0 279.340 1.786 20 5 CDBDRO C[C@H]([NH2+][C@H]1CCC(=O)NC1)c1cccc([N+](=O)[O-])c1 ZINC000111018644 525603697 /nfs/dbraw/zinc/60/36/97/525603697.db2.gz YLLWRHGGGAGMOS-ONGXEEELSA-N 1 0 263.297 1.524 20 5 CDBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000304362845 528670941 /nfs/dbraw/zinc/67/09/41/528670941.db2.gz UMQYXEQVYKPICA-CQSZACIVSA-N 1 0 296.371 1.807 20 5 CDBDRO CC(C)(O)C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000189900269 535300955 /nfs/dbraw/zinc/30/09/55/535300955.db2.gz HPVMEQPMCGSDAT-AWEZNQCLSA-N 1 0 294.351 1.864 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@](C)(C[NH3+])C1 ZINC000261596503 535968951 /nfs/dbraw/zinc/96/89/51/535968951.db2.gz ORCXFYCEUCJINN-GFCCVEGCSA-N 1 0 267.333 1.295 20 5 CDBDRO CCc1nn(C)c(NC[C@@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420294290 536180910 /nfs/dbraw/zinc/18/09/10/536180910.db2.gz YWNWSVPLIBTEOD-ZJUUUORDSA-N 1 0 281.360 1.820 20 5 CDBDRO COc1ccc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000261595662 536754357 /nfs/dbraw/zinc/75/43/57/536754357.db2.gz IESBXKPVKGMDRL-LBPRGKRZSA-N 1 0 295.339 1.707 20 5 CDBDRO COc1cc(C[NH2+]C[C@H]2CCCOC2)c([N+](=O)[O-])cc1O ZINC000237278823 536799931 /nfs/dbraw/zinc/79/99/31/536799931.db2.gz PAEAAIWZDQOFAF-SNVBAGLBSA-N 1 0 296.323 1.825 20 5 CDBDRO COc1cc(N2C[C@H](C[NH3+])C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000227861060 536832380 /nfs/dbraw/zinc/83/23/80/536832380.db2.gz RRSXVYVZVJLTGQ-IUCAKERBSA-N 1 0 283.303 1.916 20 5 CDBDRO Cc1nn(C)c(N2CCC[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000734141856 575156572 /nfs/dbraw/zinc/15/65/72/575156572.db2.gz SHRIDILMNSCXFE-LLVKDONJSA-N 1 0 281.360 1.415 20 5 CDBDRO COc1ccc(C[NH2+]C2CCN(C=O)CC2)cc1[N+](=O)[O-] ZINC000774145225 575184452 /nfs/dbraw/zinc/18/44/52/575184452.db2.gz VQPVTWBAJHMSGI-UHFFFAOYSA-N 1 0 293.323 1.314 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000768774544 576307471 /nfs/dbraw/zinc/30/74/71/576307471.db2.gz VESSYSFSXLBABD-LALPHHSUSA-N 1 0 293.367 1.653 20 5 CDBDRO Cc1cc(F)cc(C(=O)N(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000758508661 577112685 /nfs/dbraw/zinc/11/26/85/577112685.db2.gz PPFCJLQTVMXRSD-UHFFFAOYSA-N 1 0 283.303 1.676 20 5 CDBDRO CON(C)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000850479648 617516283 /nfs/dbraw/zinc/51/62/83/617516283.db2.gz AUUDHTDDHUIZBL-SNVBAGLBSA-N 1 0 253.302 1.739 20 5 CDBDRO C[C@@H]1CCCC[N@@H+]1CCNc1c([N+](=O)[O-])cnn1C ZINC000891838956 617637502 /nfs/dbraw/zinc/63/75/02/617637502.db2.gz ZBDFAKHXMWIXTK-SNVBAGLBSA-N 1 0 267.333 1.615 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000891886588 617718937 /nfs/dbraw/zinc/71/89/37/617718937.db2.gz NTYZTEYBIGBSOK-LLVKDONJSA-N 1 0 279.344 1.393 20 5 CDBDRO Cc1ccc(CNC(=O)NCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000891989232 617956129 /nfs/dbraw/zinc/95/61/29/617956129.db2.gz PTWJTZCSQZVSJB-UHFFFAOYSA-N 1 0 292.339 1.454 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@@]2(C)CCO[C@H]2C)c1[N+](=O)[O-] ZINC000893522534 618024706 /nfs/dbraw/zinc/02/47/06/618024706.db2.gz UWHOKIUDAUEHEH-XPTSAGLGSA-N 1 0 296.323 1.966 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000893069103 618125144 /nfs/dbraw/zinc/12/51/44/618125144.db2.gz BGMVRQNOBUILNP-GXSJLCMTSA-N 1 0 296.323 1.824 20 5 CDBDRO COc1c(O)ccc(C[N@H+](C)C[C@H](O)C2CC2)c1[N+](=O)[O-] ZINC000894470818 618906434 /nfs/dbraw/zinc/90/64/34/618906434.db2.gz IPRGHBISOPZVQI-LBPRGKRZSA-N 1 0 296.323 1.512 20 5 CDBDRO C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000897684248 621072606 /nfs/dbraw/zinc/07/26/06/621072606.db2.gz LRFMRVABACMMRD-CAMLPZEUSA-N 1 0 262.309 1.921 20 5 CDBDRO Nc1ccc(C(=O)N2CC([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000898616076 621815049 /nfs/dbraw/zinc/81/50/49/621815049.db2.gz FPXQYELRILMLIN-UHFFFAOYSA-N 1 0 290.323 1.097 20 5 CDBDRO CC(C)[C@H](CNCC[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000899869142 622494836 /nfs/dbraw/zinc/49/48/36/622494836.db2.gz ATAIEQOWWVUUPW-ZDUSSCGKSA-N 1 0 257.378 1.609 20 5 CDBDRO Cc1cccc([C@H](C[NH2+]CC[N+](=O)[O-])N2CCOCC2)c1 ZINC000899869888 622495707 /nfs/dbraw/zinc/49/57/07/622495707.db2.gz JJIXORVCZSCAFU-HNNXBMFYSA-N 1 0 293.367 1.235 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCCOCCc1ccccc1 ZINC000899871864 622496959 /nfs/dbraw/zinc/49/69/59/622496959.db2.gz UPHLVUHWCXMINU-UHFFFAOYSA-N 1 0 252.314 1.502 20 5 CDBDRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CC[N+](=O)[O-])C1 ZINC000905088742 626604624 /nfs/dbraw/zinc/60/46/24/626604624.db2.gz KOZZPTSFWXPROO-NSHDSACASA-N 1 0 287.360 1.500 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCc1cc(Br)ccc1F ZINC000905059008 626609035 /nfs/dbraw/zinc/60/90/35/626609035.db2.gz DVVSOVKIZLILDN-UHFFFAOYSA-N 1 0 291.120 1.997 20 5 CDBDRO C[C@H](C[NH2+]CC[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000905103940 626621277 /nfs/dbraw/zinc/62/12/77/626621277.db2.gz BPXCNCJVQLYEOU-GFCCVEGCSA-N 1 0 251.330 1.373 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000905231008 626685854 /nfs/dbraw/zinc/68/58/54/626685854.db2.gz IIVZPKBKDZVRJG-LSDHHAIUSA-N 1 0 296.342 1.766 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000905199486 626687587 /nfs/dbraw/zinc/68/75/87/626687587.db2.gz AVGHOLBFWLSFDP-VIFPVBQESA-N 1 0 287.722 1.924 20 5 CDBDRO C[C@H]1[C@H]([NH2+]CC[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000905259929 626710124 /nfs/dbraw/zinc/71/01/24/626710124.db2.gz IRRDQSVXBHWBSE-GXTWGEPZSA-N 1 0 263.341 1.516 20 5 CDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@@H](O)c1c(F)cccc1Cl ZINC000905367246 626786399 /nfs/dbraw/zinc/78/63/99/626786399.db2.gz XTBHBRXIGJFCAE-WRWORJQWSA-N 1 0 276.695 1.767 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCO[C@@H]2CCOC2)cc1 ZINC000905610740 626894216 /nfs/dbraw/zinc/89/42/16/626894216.db2.gz VXWPLLDAAIIVBA-KGLIPLIRSA-N 1 0 296.323 1.023 20 5 CDBDRO C[C@]1([NH3+])CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000906634396 627362328 /nfs/dbraw/zinc/36/23/28/627362328.db2.gz AOSPVTASHRYIGB-NFAWXSAZSA-N 1 0 289.335 1.648 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1CCC[NH2+]1 ZINC000149413585 627723710 /nfs/dbraw/zinc/72/37/10/627723710.db2.gz WKAPFBGMLMUJOB-MRVPVSSYSA-N 1 0 256.693 1.807 20 5 CDBDRO C[NH+]1CC(CNc2ccc3nsnc3c2[N+](=O)[O-])C1 ZINC001170256072 1162319179 /nfs/dbraw/zinc/31/91/79/1162319179.db2.gz BKWOKHUXYXRZND-UHFFFAOYSA-N 1 0 279.325 1.573 20 5 CDBDRO COc1cc(C)nc(N2CCC[C@@H]([NH3+])[C@H]2C)c1[N+](=O)[O-] ZINC001157742917 1162380649 /nfs/dbraw/zinc/38/06/49/1162380649.db2.gz SLHILMVZBQLIRA-NXEZZACHSA-N 1 0 280.328 1.623 20 5 CDBDRO C[C@H](Nc1nc(Cl)ccc1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001170566066 1162931416 /nfs/dbraw/zinc/93/14/16/1162931416.db2.gz DMPHKLFAULFSIG-IONNQARKSA-N 1 0 286.719 1.432 20 5 CDBDRO CN1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000712324317 1161985862 /nfs/dbraw/zinc/98/58/62/1161985862.db2.gz WPPINERBKZTMKQ-SECBINFHSA-N 1 0 283.715 1.682 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2)C1 ZINC001168967143 1161996017 /nfs/dbraw/zinc/99/60/17/1161996017.db2.gz NRNSTLSAPYXGQG-HZSPNIEDSA-N 1 0 294.351 1.461 20 5 CDBDRO CC(C)[NH+]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865434673 1164646390 /nfs/dbraw/zinc/64/63/90/1164646390.db2.gz PMLQZOOREUAYRP-UHFFFAOYSA-N 1 0 297.330 1.757 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCn1cncn1 ZINC000873025586 1165503813 /nfs/dbraw/zinc/50/38/13/1165503813.db2.gz CMWLKZMEPUTSIE-UHFFFAOYSA-N 1 0 275.312 1.593 20 5 CDBDRO CCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000110939392 1166537145 /nfs/dbraw/zinc/53/71/45/1166537145.db2.gz DRKYGOADRHRPLV-CYBMUJFWSA-N 1 0 277.324 1.809 20 5 CDBDRO [NH3+]CCN(CCO)c1ccc2ccc3cccnc3c2n1 ZINC001155949082 1167275469 /nfs/dbraw/zinc/27/54/69/1167275469.db2.gz CQHLITAEVGZZQP-UHFFFAOYSA-N 1 0 282.347 1.540 20 5 CDBDRO CC1(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[NH2+]C1 ZINC001576356955 1171398155 /nfs/dbraw/zinc/39/81/55/1171398155.db2.gz XLBLGPSYTWTOBC-UHFFFAOYSA-N 1 0 286.291 1.691 20 5 CDBDRO Cc1nn(C)c(N2CCC[C@@H](CC[NH3+])C2)c1[N+](=O)[O-] ZINC000070171257 1171645789 /nfs/dbraw/zinc/64/57/89/1171645789.db2.gz BDIGOOPGJWHKDQ-JTQLQIEISA-N 1 0 267.333 1.202 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001578638512 1171967688 /nfs/dbraw/zinc/96/76/88/1171967688.db2.gz NXZAUFVMBXQSEJ-LURJTMIESA-N 1 0 289.694 1.725 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC001579241596 1172122736 /nfs/dbraw/zinc/12/27/36/1172122736.db2.gz CSCHTYURBDYSAH-PRHODGIISA-N 1 0 297.286 1.490 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N(C2CCC2)C2C[NH2+]C2)n1 ZINC001579642359 1172232585 /nfs/dbraw/zinc/23/25/85/1172232585.db2.gz BUWIWITZUVCFRU-UHFFFAOYSA-N 1 0 290.323 1.265 20 5 CDBDRO Cc1ccc(NC(=O)N[C@H]2C[NH2+]CC23CC3)cc1[N+](=O)[O-] ZINC001579719866 1172246832 /nfs/dbraw/zinc/24/68/32/1172246832.db2.gz QAISDIGPBFXSIT-LBPRGKRZSA-N 1 0 290.323 1.777 20 5 CDBDRO Cc1nn(C)c(NCC[C@@H]2CCC[NH2+]CC2)c1[N+](=O)[O-] ZINC001579891737 1172292493 /nfs/dbraw/zinc/29/24/93/1172292493.db2.gz URCFADSMDJFXDJ-LLVKDONJSA-N 1 0 281.360 1.828 20 5 CDBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH2+][C@@H]2C[C@@H]21 ZINC001580810494 1172546472 /nfs/dbraw/zinc/54/64/72/1172546472.db2.gz XEXDDAQMGBCTSO-OLZOCXBDSA-N 1 0 286.291 1.262 20 5 CDBDRO CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC001754980388 1185777375 /nfs/dbraw/zinc/77/73/75/1185777375.db2.gz APIDSYKHNBKLFI-CDJBXZAQSA-N 1 0 295.383 1.636 20 5 CDBDRO Cc1cnc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000408068094 719153356 /nfs/dbraw/zinc/15/33/56/719153356.db2.gz RKRZROQHNRARDO-GHMZBOCLSA-N 1 0 264.329 1.827 20 5 CDBDRO CC(C)(CCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[N+](=O)[O-] ZINC000823196006 823843460 /nfs/dbraw/zinc/84/34/60/823843460.db2.gz RTMZWMBCPNZAND-GFCCVEGCSA-N 1 0 283.372 1.422 20 5 CDBDRO Cc1cc(C(=O)NCC[C@H](C)[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000855415463 828423188 /nfs/dbraw/zinc/42/31/88/828423188.db2.gz ILPPDPJNKSBEJI-JTQLQIEISA-N 1 0 294.355 1.555 20 5 CDBDRO C[NH+](C)CC(C)(C)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000308675123 828472463 /nfs/dbraw/zinc/47/24/63/828472463.db2.gz MBZRYPAKCSPUBP-UHFFFAOYSA-N 1 0 283.303 1.804 20 5 CDBDRO C[C@H](CCNc1cc(F)c([N+](=O)[O-])cc1CO)[NH+](C)C ZINC000865939789 828551918 /nfs/dbraw/zinc/55/19/18/828551918.db2.gz YEGWILLKGARSFB-SECBINFHSA-N 1 0 285.319 1.978 20 5 CDBDRO C[NH+](C)CC(C)(C)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823927043 828559419 /nfs/dbraw/zinc/55/94/19/828559419.db2.gz LPXNDVSUQODPBZ-UHFFFAOYSA-N 1 0 295.343 1.639 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CC(=O)N(C)C1 ZINC000866252780 823772867 /nfs/dbraw/zinc/77/28/67/823772867.db2.gz PUXHJORDFLQRLM-CABZTGNLSA-N 1 0 295.314 1.485 20 5 CDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C)CC1 ZINC000843754936 823809951 /nfs/dbraw/zinc/80/99/51/823809951.db2.gz AJSPELCTDPZOSE-UHFFFAOYSA-N 1 0 295.314 1.866 20 5 CDBDRO Cn1cc(C[NH2+]C2(C3CC3)CCC2)c([N+](=O)[O-])n1 ZINC000887148549 824143772 /nfs/dbraw/zinc/14/37/72/824143772.db2.gz IUJNXUCQLIRKNP-UHFFFAOYSA-N 1 0 250.302 1.751 20 5 CDBDRO CC[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000885959334 824165890 /nfs/dbraw/zinc/16/58/90/824165890.db2.gz YSQTUVQEDUVLOJ-NSHDSACASA-N 1 0 265.313 1.848 20 5 CDBDRO CCOCCCNC(=[NH2+])NCCc1cccc([N+](=O)[O-])c1 ZINC000849001497 824218462 /nfs/dbraw/zinc/21/84/62/824218462.db2.gz MAVXZHHGZPMQKW-UHFFFAOYSA-N 1 0 294.355 1.678 20 5 CDBDRO C[NH+](C)CCCOC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000791835955 824253972 /nfs/dbraw/zinc/25/39/72/824253972.db2.gz GVBLLSBFABFREX-UHFFFAOYSA-N 1 0 270.260 1.842 20 5 CDBDRO CC(C)(CCc1noc(CC[C@H]2CC[NH2+]C2)n1)[N+](=O)[O-] ZINC000843232784 824258306 /nfs/dbraw/zinc/25/83/06/824258306.db2.gz CVVQPABJKXDWLE-JTQLQIEISA-N 1 0 282.344 1.600 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@](C)([NH3+])C2)c1 ZINC000700957522 824276976 /nfs/dbraw/zinc/27/69/76/824276976.db2.gz FJXVQPDAECWZOT-ZDUSSCGKSA-N 1 0 295.364 1.880 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815585371 824292247 /nfs/dbraw/zinc/29/22/47/824292247.db2.gz FRZUKMROJVYTRC-BXKDBHETSA-N 1 0 292.339 1.448 20 5 CDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C1C[NH2+]C1 ZINC000843124541 824295815 /nfs/dbraw/zinc/29/58/15/824295815.db2.gz GWEBOOGKEXBEIM-UHFFFAOYSA-N 1 0 255.705 1.652 20 5 CDBDRO Cc1ccc(C(=O)NC[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000237373162 824344454 /nfs/dbraw/zinc/34/44/54/824344454.db2.gz ANRUKHDIEBWHRH-QMMMGPOBSA-N 1 0 251.286 1.228 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883419421 828639987 /nfs/dbraw/zinc/63/99/87/828639987.db2.gz KIABTRPHQVLQNO-RYUDHWBXSA-N 1 0 267.304 1.727 20 5 CDBDRO CC[N@@H+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000796316658 824519238 /nfs/dbraw/zinc/51/92/38/824519238.db2.gz NUNIAIPEVZWOBU-DOMZBBRYSA-N 1 0 293.367 1.654 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCCO2)cc1 ZINC000105908960 824563773 /nfs/dbraw/zinc/56/37/73/824563773.db2.gz PEUTUFPLOXTZOB-OLZOCXBDSA-N 1 0 266.297 1.397 20 5 CDBDRO Cc1c(-c2noc(CCC[NH3+])n2)cccc1[N+](=O)[O-] ZINC000843238276 824575601 /nfs/dbraw/zinc/57/56/01/824575601.db2.gz NBSRXXYKLJJJTJ-UHFFFAOYSA-N 1 0 262.269 1.845 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923434787 824765325 /nfs/dbraw/zinc/76/53/25/824765325.db2.gz AJNKVXAIKHOKIB-UUIJZJDISA-N 1 0 293.367 1.699 20 5 CDBDRO C[N@@H+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000846889859 824816708 /nfs/dbraw/zinc/81/67/08/824816708.db2.gz PKRXRKLAOHFOAD-AWEZNQCLSA-N 1 0 293.367 1.654 20 5 CDBDRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000839673941 824837999 /nfs/dbraw/zinc/83/79/99/824837999.db2.gz BKRPMXODFXIIFS-IACUBPJLSA-N 1 0 291.351 1.288 20 5 CDBDRO [NH3+][C@H]1C[C@@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843449302 824838293 /nfs/dbraw/zinc/83/82/93/824838293.db2.gz KOTIYGGIZPPDHT-OTSSQURYSA-N 1 0 283.715 1.602 20 5 CDBDRO C[NH+](C)CCCOC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000789945698 824959314 /nfs/dbraw/zinc/95/93/14/824959314.db2.gz PEUHLZGWEQOBDJ-UHFFFAOYSA-N 1 0 282.296 1.469 20 5 CDBDRO [NH3+][C@]12CCC[C@@H]1CN(Cc1cccnc1[N+](=O)[O-])C2 ZINC000886841104 825004796 /nfs/dbraw/zinc/00/47/96/825004796.db2.gz CACAGRLXCFICLS-YPMHNXCESA-N 1 0 262.313 1.303 20 5 CDBDRO CC(C)(C)[C@H]([NH3+])CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000136854001 828726053 /nfs/dbraw/zinc/72/60/53/828726053.db2.gz RHJOIGYOPHRIQF-GFCCVEGCSA-N 1 0 279.340 1.975 20 5 CDBDRO [NH3+]C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000261935769 825100383 /nfs/dbraw/zinc/10/03/83/825100383.db2.gz MABBTAGCWQHCNK-SNVBAGLBSA-N 1 0 285.731 1.408 20 5 CDBDRO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@]1(C)CO ZINC000852702189 825128640 /nfs/dbraw/zinc/12/86/40/825128640.db2.gz HXLGALBLARMVQO-KCPJHIHWSA-N 1 0 294.351 1.579 20 5 CDBDRO C[C@H](CCNC(=O)c1cc(F)ccc1[N+](=O)[O-])[NH+](C)C ZINC000700428833 825136569 /nfs/dbraw/zinc/13/65/69/825136569.db2.gz VUMSMAOCBQZNNG-SECBINFHSA-N 1 0 283.303 1.804 20 5 CDBDRO CN(CC1CCOCC1)Cn1nccc1[N+](=O)[O-] ZINC000124750571 825147433 /nfs/dbraw/zinc/14/74/33/825147433.db2.gz MGMMBWWSGJRRNZ-UHFFFAOYSA-N 1 0 254.290 1.107 20 5 CDBDRO C[C@@H]1CN(CC[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000930646085 825214640 /nfs/dbraw/zinc/21/46/40/825214640.db2.gz APKNOBKEPDGKDJ-CQSZACIVSA-N 1 0 277.368 1.717 20 5 CDBDRO C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000923360875 825228674 /nfs/dbraw/zinc/22/86/74/825228674.db2.gz FNXJDOPRPARPDH-SUNKGSAMSA-N 1 0 279.340 1.310 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH3+])C2)c1C ZINC000884020539 825254024 /nfs/dbraw/zinc/25/40/24/825254024.db2.gz AYNBCDPDJMYFAH-NSHDSACASA-N 1 0 277.324 1.632 20 5 CDBDRO CC(C)OCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819226559 825256362 /nfs/dbraw/zinc/25/63/62/825256362.db2.gz UIBBKVGZWNCILZ-ZDUSSCGKSA-N 1 0 268.313 1.643 20 5 CDBDRO COC(=O)N[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000886861816 825274730 /nfs/dbraw/zinc/27/47/30/825274730.db2.gz NDPDGYWGKVCMQZ-LBPRGKRZSA-N 1 0 293.323 1.568 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCCC[C@@H]2O)c1 ZINC000843078411 825440496 /nfs/dbraw/zinc/44/04/96/825440496.db2.gz YOIASEQCIOPWGN-IHRRRGAJSA-N 1 0 280.324 1.521 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c1[N+](=O)[O-] ZINC000843345877 825490672 /nfs/dbraw/zinc/49/06/72/825490672.db2.gz IFNWRBBQZLMHJS-CABZTGNLSA-N 1 0 295.314 1.852 20 5 CDBDRO CCN(CC[NH3+])CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000863552369 828804770 /nfs/dbraw/zinc/80/47/70/828804770.db2.gz YOHDIXUMGLKQGS-UHFFFAOYSA-N 1 0 298.318 1.343 20 5 CDBDRO CC(C)(COCc1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000930311478 825743096 /nfs/dbraw/zinc/74/30/96/825743096.db2.gz NHWLQHUFEPQOBG-UHFFFAOYSA-N 1 0 252.314 1.848 20 5 CDBDRO C[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)O1 ZINC000819359470 825823939 /nfs/dbraw/zinc/82/39/39/825823939.db2.gz VWDGIHBDHNIGCJ-DDTOSNHZSA-N 1 0 280.324 1.785 20 5 CDBDRO CCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000786956420 825859495 /nfs/dbraw/zinc/85/94/95/825859495.db2.gz DQXQKTDFYGZAAJ-UHFFFAOYSA-N 1 0 294.355 1.639 20 5 CDBDRO Cc1ccc(C[NH2+]CCO[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000922940119 825877205 /nfs/dbraw/zinc/87/72/05/825877205.db2.gz BWXRGRBCAZZIGX-ZDUSSCGKSA-N 1 0 280.324 1.798 20 5 CDBDRO C[C@H](Cn1cccn1)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886000047 825888308 /nfs/dbraw/zinc/88/83/08/825888308.db2.gz UAFCRHFDJRFQGC-SNVBAGLBSA-N 1 0 261.285 1.365 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1cccnc1[N+](=O)[O-] ZINC000886832196 825910889 /nfs/dbraw/zinc/91/08/89/825910889.db2.gz CPZSCPNQEHTIED-AOOOYVTPSA-N 1 0 250.302 1.172 20 5 CDBDRO CCC[N@H+](C)CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000854497595 826072457 /nfs/dbraw/zinc/07/24/57/826072457.db2.gz ROFNHTZNZRARJT-UHFFFAOYSA-N 1 0 266.301 1.457 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000127694504 826248749 /nfs/dbraw/zinc/24/87/49/826248749.db2.gz UHUNEACBYFTLJN-SECBINFHSA-N 1 0 267.260 1.134 20 5 CDBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886082908 826273870 /nfs/dbraw/zinc/27/38/70/826273870.db2.gz CCCNVVCIKUECTD-JQWIXIFHSA-N 1 0 265.313 1.725 20 5 CDBDRO Cc1c(C[NH2+]C[C@]2(O)CCOC2)cccc1[N+](=O)[O-] ZINC000227132542 826328704 /nfs/dbraw/zinc/32/87/04/826328704.db2.gz BGFNIVKVODGUGF-CYBMUJFWSA-N 1 0 266.297 1.144 20 5 CDBDRO CSCCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819086577 826344192 /nfs/dbraw/zinc/34/41/92/826344192.db2.gz OUZJUHCKEANYAF-GFCCVEGCSA-N 1 0 270.354 1.971 20 5 CDBDRO COC1(OC)CCOC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000931666285 826570007 /nfs/dbraw/zinc/57/00/07/826570007.db2.gz NDRRXLLYQYCECB-ZDUSSCGKSA-N 1 0 296.323 1.462 20 5 CDBDRO CO[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000819333052 826810568 /nfs/dbraw/zinc/81/05/68/826810568.db2.gz FRVKHVYCUZHAQV-UONOGXRCSA-N 1 0 280.324 1.643 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)C[C@H]2CCCO2)cc1 ZINC000886231922 826815469 /nfs/dbraw/zinc/81/54/69/826815469.db2.gz NFRMTAJISKDEKG-GXTWGEPZSA-N 1 0 280.324 1.614 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CCCC[NH3+])CC2 ZINC000843494629 826867695 /nfs/dbraw/zinc/86/76/95/826867695.db2.gz LKMSBZNXMKQYTB-UHFFFAOYSA-N 1 0 277.324 1.921 20 5 CDBDRO CC[NH+](CC)[C@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886026233 826896850 /nfs/dbraw/zinc/89/68/50/826896850.db2.gz QZRNCXAIGKJIFX-ZDUSSCGKSA-N 1 0 278.356 1.906 20 5 CDBDRO Cn1cncc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819315916 826929461 /nfs/dbraw/zinc/92/94/61/826929461.db2.gz COVIGOMBHAAQSO-ZDUSSCGKSA-N 1 0 276.296 1.152 20 5 CDBDRO C[C@@H]1COC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000932503188 826971169 /nfs/dbraw/zinc/97/11/69/826971169.db2.gz XCFDMEXKHXDSII-MFKMUULPSA-N 1 0 266.297 1.598 20 5 CDBDRO Cc1c(C[NH2+]CC(=O)NCC2CC2)cccc1[N+](=O)[O-] ZINC000231885004 826996187 /nfs/dbraw/zinc/99/61/87/826996187.db2.gz SKKZUQLOQWHCHU-UHFFFAOYSA-N 1 0 277.324 1.519 20 5 CDBDRO CC(C)(C)OC(=O)NC1CCN(CC[N+](=O)[O-])CC1 ZINC000791052094 826996222 /nfs/dbraw/zinc/99/62/22/826996222.db2.gz KXEGVWRKQCRNCR-UHFFFAOYSA-N 1 0 273.333 1.252 20 5 CDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000715080269 827102707 /nfs/dbraw/zinc/10/27/07/827102707.db2.gz BAAHPAVZSZABOJ-OTSSQURYSA-N 1 0 283.715 1.715 20 5 CDBDRO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000858581640 827217792 /nfs/dbraw/zinc/21/77/92/827217792.db2.gz HMEUKKHDBWFBBJ-ZJUUUORDSA-N 1 0 281.312 1.654 20 5 CDBDRO COc1cccc(C(=O)OCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000792186707 827255848 /nfs/dbraw/zinc/25/58/48/827255848.db2.gz SCLJKFZURGKUFM-UHFFFAOYSA-N 1 0 282.296 1.712 20 5 CDBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000856796740 827356454 /nfs/dbraw/zinc/35/64/54/827356454.db2.gz ZDIASTVDWADNEZ-KYOSRNDESA-N 1 0 294.351 1.579 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](c2ccncc2)C2CC2)n1 ZINC000934690239 827466299 /nfs/dbraw/zinc/46/62/99/827466299.db2.gz AHHIVMYVLVDJHD-CQSZACIVSA-N 1 0 287.323 1.927 20 5 CDBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H](O)c1ccccn1 ZINC000853101323 827783871 /nfs/dbraw/zinc/78/38/71/827783871.db2.gz YPAIEVYYQIDMHV-HNNXBMFYSA-N 1 0 287.319 1.856 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)c1ccc(N)cc1[N+](=O)[O-] ZINC000286766017 827835150 /nfs/dbraw/zinc/83/51/50/827835150.db2.gz HWVPBOGLJUVRDA-UHFFFAOYSA-N 1 0 264.329 1.707 20 5 CDBDRO [NH3+]C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000923277141 827835531 /nfs/dbraw/zinc/83/55/31/827835531.db2.gz KVHYTRUHMIEFKM-CYBMUJFWSA-N 1 0 265.313 1.051 20 5 CDBDRO C[C@H]([NH3+])CN(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000311205005 827857840 /nfs/dbraw/zinc/85/78/40/827857840.db2.gz MEFCVCUWOFKQKB-QMMMGPOBSA-N 1 0 252.274 1.406 20 5 CDBDRO Cc1nn(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000795708114 827859881 /nfs/dbraw/zinc/85/98/81/827859881.db2.gz REYIRCBHLJRVQZ-DGCLKSJQSA-N 1 0 293.371 1.616 20 5 CDBDRO CC(C)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)OCCO ZINC000843080381 827865276 /nfs/dbraw/zinc/86/52/76/827865276.db2.gz IELSANRNUHKYKS-CYBMUJFWSA-N 1 0 298.339 1.005 20 5 CDBDRO O=C(N[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702056144 827893006 /nfs/dbraw/zinc/89/30/06/827893006.db2.gz QGKSAYGGCBGJRG-MRVPVSSYSA-N 1 0 269.688 1.340 20 5 CDBDRO O=[N+]([O-])c1ccccc1Cc1noc(C[C@@H]2CCC[NH2+]2)n1 ZINC000843171203 828002079 /nfs/dbraw/zinc/00/20/79/828002079.db2.gz UUNDJHSNWWXEMI-NSHDSACASA-N 1 0 288.307 1.863 20 5 CDBDRO C[C@@H](Cn1cccn1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158628523 828013702 /nfs/dbraw/zinc/01/37/02/828013702.db2.gz OQFDDXJIEWAWCN-FZMZJTMJSA-N 1 0 290.323 1.503 20 5 CDBDRO Cc1c(CNC(=O)C[C@H]([NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000231856185 828018542 /nfs/dbraw/zinc/01/85/42/828018542.db2.gz QQXNXNASFLYSOQ-LBPRGKRZSA-N 1 0 277.324 1.647 20 5 CDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cn2cc([N+](=O)[O-])cn2)C1 ZINC000246205829 828148640 /nfs/dbraw/zinc/14/86/40/828148640.db2.gz BLAVCNOPPHACSK-AAEUAGOBSA-N 1 0 279.344 1.165 20 5 CDBDRO Cc1c(C(=O)N2CC[C@H]([NH3+])[C@H]2C)cccc1[N+](=O)[O-] ZINC000261669989 828222195 /nfs/dbraw/zinc/22/21/95/828222195.db2.gz ZYZNTJXAEMEZAD-KOLCDFICSA-N 1 0 263.297 1.465 20 5 CDBDRO C[C@@H]([NH3+])CN(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000863568860 828274548 /nfs/dbraw/zinc/27/45/48/828274548.db2.gz OAUIZQGLAPVJFQ-SECBINFHSA-N 1 0 291.311 1.424 20 5 CDBDRO C[C@@H](NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC001576096805 1167657585 /nfs/dbraw/zinc/65/75/85/1167657585.db2.gz NGNFVGZZBYDWMM-JGVFFNPUSA-N 1 0 285.731 1.643 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)C1CC1 ZINC001173220813 912304778 /nfs/dbraw/zinc/30/47/78/912304778.db2.gz GYYMSYYRSHVVEW-HZMBPMFUSA-N 1 0 264.325 1.886 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC(=O)NC1 ZINC001173215396 912299523 /nfs/dbraw/zinc/29/95/23/912299523.db2.gz WCQKXKAREHYXMD-JQWIXIFHSA-N 1 0 277.324 1.394 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCn1cncn1 ZINC001173216411 912301955 /nfs/dbraw/zinc/30/19/55/912301955.db2.gz JCWWWPYEMGBVNU-NSHDSACASA-N 1 0 275.312 1.407 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](O)C1 ZINC001173221643 912304107 /nfs/dbraw/zinc/30/41/07/912304107.db2.gz KUWKZYSEKPPQIP-RISCZKNCSA-N 1 0 264.325 1.983 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCC(=O)N1 ZINC001173226129 912316113 /nfs/dbraw/zinc/31/61/13/912316113.db2.gz LCOIEDWAVUDWDW-WCQYABFASA-N 1 0 291.351 1.784 20 5 CDBDRO COC(=O)c1cc(O)c(OC)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001234083942 913232856 /nfs/dbraw/zinc/23/28/56/913232856.db2.gz AWUUKGVNBOCLJU-SNVBAGLBSA-O 1 0 298.359 1.661 20 5 CDBDRO C[NH+]1C[C@H]2CN(c3nc(Cl)ncc3[N+](=O)[O-])C[C@@H]2C1 ZINC000706253980 895216852 /nfs/dbraw/zinc/21/68/52/895216852.db2.gz LBPFABHBHPCTHH-YUMQZZPRSA-N 1 0 283.719 1.036 20 5 CDBDRO Cc1c(F)cnc(-n2ccc(C[NH3+])cc2=N)c1[N+](=O)[O-] ZINC001167692302 898259664 /nfs/dbraw/zinc/25/96/64/898259664.db2.gz VRPXBZHJMTTZMP-UHFFFAOYSA-N 1 0 277.259 1.166 20 5 CDBDRO C[NH+]1CCC(O[C@H](C[N+](=O)[O-])c2cccnc2)CC1 ZINC001222503862 900189992 /nfs/dbraw/zinc/18/99/92/900189992.db2.gz ICZDHEVZJKBWAS-CYBMUJFWSA-N 1 0 265.313 1.510 20 5 CDBDRO N=C(Nc1cnc(F)c([N+](=O)[O-])c1)SCC[NH3+] ZINC001167911651 902104628 /nfs/dbraw/zinc/10/46/28/902104628.db2.gz CBEBFRRIROTTND-UHFFFAOYSA-N 1 0 259.266 1.167 20 5 CDBDRO O=[N+]([O-])c1ccnc(N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000710032591 902894702 /nfs/dbraw/zinc/89/47/02/902894702.db2.gz WOGGCVOYUZXMFJ-ZDUSSCGKSA-N 1 0 262.313 1.570 20 5 CDBDRO CC[C@H](C)Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001168000371 905233336 /nfs/dbraw/zinc/23/33/36/905233336.db2.gz UOPQKRYNHOVQMX-ZETCQYMHSA-N 1 0 251.290 1.282 20 5 CDBDRO CCCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001227258890 906148553 /nfs/dbraw/zinc/14/85/53/906148553.db2.gz XFOIHHWKQCPHDK-CHWSQXEVSA-N 1 0 283.372 1.422 20 5 CDBDRO CC(C)CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002789970 921237951 /nfs/dbraw/zinc/23/79/51/921237951.db2.gz ZDWBJHRYFIPJLG-CHWSQXEVSA-N 1 0 283.372 1.278 20 5 CDBDRO CC(C)CCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001195761857 924706841 /nfs/dbraw/zinc/70/68/41/924706841.db2.gz QXAHYWRSSABXGD-ZIAGYGMSSA-N 1 0 297.399 1.622 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NCC2=CC[N@H+](C)CC2)n1 ZINC001152416622 925348928 /nfs/dbraw/zinc/34/89/28/925348928.db2.gz PFUMFFAYBCQCPJ-UHFFFAOYSA-N 1 0 290.323 1.290 20 5 CDBDRO [NH3+]Cc1cn(-c2cc(Cl)ncc2[N+](=O)[O-])cn1 ZINC001154906780 926016584 /nfs/dbraw/zinc/01/65/84/926016584.db2.gz NYSQWPXACOPQAN-UHFFFAOYSA-N 1 0 253.649 1.288 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(NC[C@H]2C[NH2+][C@H](C)C2)n1 ZINC001155101083 926534204 /nfs/dbraw/zinc/53/42/04/926534204.db2.gz IXXGVSVLQMWJFU-VXNVDRBHSA-N 1 0 281.316 1.112 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001155915193 927194162 /nfs/dbraw/zinc/19/41/62/927194162.db2.gz DTMJNDGSBOOXPS-MRVPVSSYSA-N 1 0 263.301 1.833 20 5 CDBDRO Cc1nc(N(CCC[NH3+])C(C)C)ncc1[N+](=O)[O-] ZINC001156124750 927317363 /nfs/dbraw/zinc/31/73/63/927317363.db2.gz VHEWZGHKWUUWJG-UHFFFAOYSA-N 1 0 253.306 1.257 20 5 CDBDRO CC(C)NC(=O)[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)C ZINC001168977405 927563666 /nfs/dbraw/zinc/56/36/66/927563666.db2.gz BFTBQJCQCMMAAM-XQQFMLRXSA-N 1 0 285.388 1.571 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccccc2CO)C1 ZINC001168979763 927567350 /nfs/dbraw/zinc/56/73/50/927567350.db2.gz ZVFSUSMMRPREQL-FZMZJTMJSA-N 1 0 264.325 1.714 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC001168979551 927567847 /nfs/dbraw/zinc/56/78/47/927567847.db2.gz ZDVDXBFVFFMJES-WCBMZHEXSA-N 1 0 266.301 1.482 20 5 CDBDRO COC(=O)CCCCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168973283 927596613 /nfs/dbraw/zinc/59/66/13/927596613.db2.gz NRYOFEJQTAPZAH-RYUDHWBXSA-N 1 0 272.345 1.755 20 5 CDBDRO COCCOCCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168996930 927602843 /nfs/dbraw/zinc/60/28/43/927602843.db2.gz WWXBRGFZCSGYKV-RYUDHWBXSA-N 1 0 260.334 1.075 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc3ccccn3n2)C1 ZINC001169001652 927606359 /nfs/dbraw/zinc/60/63/59/927606359.db2.gz HDZUWJXBLDDONW-RYUDHWBXSA-N 1 0 274.324 1.869 20 5 CDBDRO COCC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169007217 927610790 /nfs/dbraw/zinc/61/07/90/927610790.db2.gz LWVCWIMJJSNFHE-OLZOCXBDSA-N 1 0 256.346 1.790 20 5 CDBDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169011433 927618059 /nfs/dbraw/zinc/61/80/59/927618059.db2.gz KIFKDNOFAONIQB-GRYCIOLGSA-N 1 0 254.330 1.733 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](CO)c2ccncc2)C1 ZINC001168986619 927622257 /nfs/dbraw/zinc/62/22/57/927622257.db2.gz XTYWCDLDGVQBRM-KGYLQXTDSA-N 1 0 265.313 1.150 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2c3ccccc3C[C@@H]2O)C1 ZINC001168987230 927622592 /nfs/dbraw/zinc/62/25/92/927622592.db2.gz HRFNPOHSVAOBQO-LVGORTOPSA-N 1 0 276.336 1.680 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CC(N3CCC(F)CC3)C2)C1 ZINC001169034139 927641949 /nfs/dbraw/zinc/64/19/49/927641949.db2.gz FNHVNNPTTIMSLT-DGCLKSJQSA-N 1 0 285.363 1.550 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)C1 ZINC001169035900 927643548 /nfs/dbraw/zinc/64/35/48/927643548.db2.gz DVAARPRTYWMEME-NNYUYHANSA-N 1 0 290.310 1.645 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCc3nc(Cl)ncc3C2)C1 ZINC001169038443 927649329 /nfs/dbraw/zinc/64/93/29/927649329.db2.gz YWMYWSJRCYHORI-GXSJLCMTSA-N 1 0 296.758 1.934 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](n3ccnn3)C2)C1 ZINC001169044535 927656863 /nfs/dbraw/zinc/65/68/63/927656863.db2.gz IEQYNFHDKQPPSQ-UPJWGTAASA-N 1 0 279.344 1.360 20 5 CDBDRO COCc1noc2c1C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169020124 927660257 /nfs/dbraw/zinc/66/02/57/927660257.db2.gz INODTMPDXNBRAF-GHMZBOCLSA-N 1 0 295.339 1.625 20 5 CDBDRO CC(C)C(=O)N1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169056373 927672120 /nfs/dbraw/zinc/67/21/20/927672120.db2.gz SLGQROXASXPMML-CHWSQXEVSA-N 1 0 283.372 1.232 20 5 CDBDRO CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169057458 927675444 /nfs/dbraw/zinc/67/54/44/927675444.db2.gz VLILBBRUUOQJKE-JHJVBQTASA-N 1 0 283.372 1.422 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1-n1ccc([C@@H](C)[NH3+])n1 ZINC001169229164 927829297 /nfs/dbraw/zinc/82/92/97/927829297.db2.gz FYQAFYNKNHIFCW-SSDOTTSWSA-N 1 0 262.273 1.237 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000111301929 928016220 /nfs/dbraw/zinc/01/62/20/928016220.db2.gz CIKPGUKDRIFZTN-ZCFIWIBFSA-N 1 0 257.677 1.325 20 5 CDBDRO O=[N+]([O-])c1c(NC[C@@H]2COCC[NH2+]2)ccc2cnccc21 ZINC001170045174 929140053 /nfs/dbraw/zinc/14/00/53/929140053.db2.gz RQGPFTVFXHPCBS-LLVKDONJSA-N 1 0 288.307 1.543 20 5 CDBDRO CN(c1ncc2cccc([N+](=O)[O-])c2n1)C(C)(C)C[NH3+] ZINC001170055421 929209074 /nfs/dbraw/zinc/20/90/74/929209074.db2.gz DGPAEBSOPZSLDD-UHFFFAOYSA-N 1 0 275.312 1.712 20 5 CDBDRO CC(C)Oc1nc(NCCN(C)CC[NH3+])ccc1[N+](=O)[O-] ZINC001159442950 930118639 /nfs/dbraw/zinc/11/86/39/930118639.db2.gz GTQCRNIGQHJJSY-UHFFFAOYSA-N 1 0 297.359 1.079 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1nccc2c1ccc(C)c2[N+](=O)[O-] ZINC001170857187 930460655 /nfs/dbraw/zinc/46/06/55/930460655.db2.gz DQORNOJADDGMOU-CQSZACIVSA-N 1 0 290.323 1.921 20 5 CDBDRO C[C@@H]([NH3+])CCNc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001170886856 930678048 /nfs/dbraw/zinc/67/80/48/930678048.db2.gz JCHLNAUBJZAFLT-ZCFIWIBFSA-N 1 0 260.681 1.031 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001159743933 930791591 /nfs/dbraw/zinc/79/15/91/930791591.db2.gz OAQYAMSDQNSPTA-LBPRGKRZSA-N 1 0 277.284 1.007 20 5 CDBDRO C[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000886221321 930830143 /nfs/dbraw/zinc/83/01/43/930830143.db2.gz XIRHXWIWXOMKIK-LBPRGKRZSA-N 1 0 290.367 1.906 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCN1CC=CC1 ZINC001116812919 937473829 /nfs/dbraw/zinc/47/38/29/937473829.db2.gz LQLVNCSRYRKTMQ-UHFFFAOYSA-N 1 0 275.308 1.505 20 5 CDBDRO C[C@H]1CC[NH2+][C@@H](C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001118060304 937586464 /nfs/dbraw/zinc/58/64/64/937586464.db2.gz YHVRLYXPCADKSY-IINYFYTJSA-N 1 0 289.335 1.825 20 5 CDBDRO COc1nc(N[C@@H]2CCC[C@@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC001154975070 937614730 /nfs/dbraw/zinc/61/47/30/937614730.db2.gz GVGWRAJSWRFDOX-HTQZYQBOSA-N 1 0 267.289 1.075 20 5 CDBDRO COc1ncnc(NC[C@]2(F)CCCC[NH2+]C2)c1[N+](=O)[O-] ZINC001155115923 937637217 /nfs/dbraw/zinc/63/72/17/937637217.db2.gz CUEHYBNLTMLUDL-LBPRGKRZSA-N 1 0 299.306 1.287 20 5 CDBDRO [NH3+]Cc1ccnn1-c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001155130474 937640015 /nfs/dbraw/zinc/64/00/15/937640015.db2.gz UIQDGGRHVBUJQO-UHFFFAOYSA-N 1 0 296.290 1.696 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001155921199 937689256 /nfs/dbraw/zinc/68/92/56/937689256.db2.gz MCPMIBAKVCBOJP-QMMMGPOBSA-N 1 0 263.301 1.833 20 5 CDBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc21 ZINC001119342050 937711408 /nfs/dbraw/zinc/71/14/08/937711408.db2.gz KXGBYCQZGMCTKD-QWRGUYRKSA-N 1 0 284.319 1.799 20 5 CDBDRO CCC[N@H+](C)C[C@H]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001120821949 937839405 /nfs/dbraw/zinc/83/94/05/937839405.db2.gz LEOLPTHQSUFKTH-LLVKDONJSA-N 1 0 293.371 1.740 20 5 CDBDRO C[N@H+]1CC=C(CNc2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001120829994 937839677 /nfs/dbraw/zinc/83/96/77/937839677.db2.gz KGGBVBYPWZOOQS-UHFFFAOYSA-N 1 0 263.301 1.246 20 5 CDBDRO CC[N@@H+]1CCCC[C@@H]1CNc1cc(N)c([N+](=O)[O-])cn1 ZINC001120896080 937845787 /nfs/dbraw/zinc/84/57/87/937845787.db2.gz HYTKEYFELOBYLH-SNVBAGLBSA-N 1 0 279.344 1.858 20 5 CDBDRO CC(C)([NH3+])CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001122207417 937913148 /nfs/dbraw/zinc/91/31/48/937913148.db2.gz GZSXXERUEOUVKU-QWHCGFSZSA-N 1 0 291.351 1.942 20 5 CDBDRO N=C(Nc1cnc2cc([N+](=O)[O-])ccc2n1)SCC[NH3+] ZINC001157128423 938457515 /nfs/dbraw/zinc/45/75/15/938457515.db2.gz NFENLTWQOHFXPY-UHFFFAOYSA-N 1 0 292.324 1.577 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c(N)n3)C[C@H]21 ZINC001157271574 938473533 /nfs/dbraw/zinc/47/35/33/938473533.db2.gz ISZPRACTMZXEQQ-GXSJLCMTSA-N 1 0 277.328 1.102 20 5 CDBDRO CC(C)Oc1nc(N[C@H]2C[NH2+]CC[C@H]2F)ccc1[N+](=O)[O-] ZINC001157451697 938494214 /nfs/dbraw/zinc/49/42/14/938494214.db2.gz JRJNNYQXWCGMGB-ZJUUUORDSA-N 1 0 298.318 1.889 20 5 CDBDRO CC(C)(C)CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767344 938542974 /nfs/dbraw/zinc/54/29/74/938542974.db2.gz LNCQROBPJGBEEQ-GHMZBOCLSA-N 1 0 271.361 1.184 20 5 CDBDRO Cc1nc(N2CC[N@@H+](C)CC23CCCC3)ncc1[N+](=O)[O-] ZINC001158410296 938618972 /nfs/dbraw/zinc/61/89/72/938618972.db2.gz MBVALICQOAWJMM-UHFFFAOYSA-N 1 0 291.355 1.758 20 5 CDBDRO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ncc([N+](=O)[O-])cc1Cl ZINC001159292571 938718057 /nfs/dbraw/zinc/71/80/57/938718057.db2.gz INIWBKYIUYBRCQ-UHFFFAOYSA-N 1 0 297.702 1.344 20 5 CDBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)[C@H]1C[NH2+]CCO1 ZINC001159488499 938731573 /nfs/dbraw/zinc/73/15/73/938731573.db2.gz DXCLJCRQNCVQPE-GMSGAONNSA-N 1 0 286.719 1.432 20 5 CDBDRO O=[N+]([O-])c1cccc2ccc(N[C@@H]3C[NH2+]C[C@@H]3CO)nc21 ZINC001159674727 938744230 /nfs/dbraw/zinc/74/42/30/938744230.db2.gz AWJUYZWWNFVMLM-GHMZBOCLSA-N 1 0 288.307 1.135 20 5 CDBDRO CCOC(=O)c1ccc(NCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001161671117 938918746 /nfs/dbraw/zinc/91/87/46/938918746.db2.gz KSMXSSGFVJYNGO-UHFFFAOYSA-N 1 0 281.312 1.745 20 5 CDBDRO COc1ncc([N+](=O)[O-])c(NCCCC[NH+](C)C)n1 ZINC001161724759 938926379 /nfs/dbraw/zinc/92/63/79/938926379.db2.gz NXHGSVIXPQRPIP-UHFFFAOYSA-N 1 0 269.305 1.147 20 5 CDBDRO Nc1cc(N(CC[NH3+])c2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC001161880689 938939433 /nfs/dbraw/zinc/93/94/33/938939433.db2.gz PAWLFOUIJJVMAP-UHFFFAOYSA-N 1 0 291.286 1.808 20 5 CDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC001162093607 938955369 /nfs/dbraw/zinc/95/53/69/938955369.db2.gz ZNMCWUQXNUFTLS-JTQLQIEISA-N 1 0 298.774 1.954 20 5 CDBDRO [NH3+]Cc1cn(-c2nc(Cl)ccc2[N+](=O)[O-])cn1 ZINC001162301772 938975110 /nfs/dbraw/zinc/97/51/10/938975110.db2.gz FFUASZLBSFWDEP-UHFFFAOYSA-N 1 0 253.649 1.288 20 5 CDBDRO COc1cnc(N[C@]2(C)CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001162340545 939029653 /nfs/dbraw/zinc/02/96/53/939029653.db2.gz DRVAXQCLRGJICD-CYBMUJFWSA-N 1 0 280.328 1.895 20 5 CDBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1nccc(N)c1[N+](=O)[O-] ZINC001162457635 939060111 /nfs/dbraw/zinc/06/01/11/939060111.db2.gz QAPCXNBYZUVCDS-VHSXEESVSA-N 1 0 279.344 1.620 20 5 CDBDRO O=[N+]([O-])c1cc(NC[C@@H]2C[C@H](F)C[NH2+]2)cn2ccnc12 ZINC001162477423 939064711 /nfs/dbraw/zinc/06/47/11/939064711.db2.gz JINHDKMLHYVREZ-IUCAKERBSA-N 1 0 279.275 1.354 20 5 CDBDRO COc1c(F)cc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)cc1[N+](=O)[O-] ZINC001163146027 939212538 /nfs/dbraw/zinc/21/25/38/939212538.db2.gz FHXVDXZVPYFRPR-FBIMIBRVSA-N 1 0 297.286 1.141 20 5 CDBDRO O=[N+]([O-])c1cccnc1NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163278023 939238329 /nfs/dbraw/zinc/23/83/29/939238329.db2.gz GEATXXARZKGCBX-SMDDNHRTSA-N 1 0 292.339 1.560 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2nc(N[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)ccc12 ZINC001163335993 939250273 /nfs/dbraw/zinc/25/02/73/939250273.db2.gz GIWLEHGHGBHJBZ-PTRXPTGYSA-N 1 0 289.295 1.012 20 5 CDBDRO C[NH2+]CCN(C)c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001163718763 939314040 /nfs/dbraw/zinc/31/40/40/939314040.db2.gz FAYMCYPHYQIBAG-UHFFFAOYSA-N 1 0 295.730 1.847 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1ccc2ncc([N+](=O)[O-])n2c1 ZINC001163777160 939328593 /nfs/dbraw/zinc/32/85/93/939328593.db2.gz SPKVRIBBPWQPLX-SECBINFHSA-N 1 0 263.301 1.605 20 5 CDBDRO CC(=O)Nc1ccc(N[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC001163782242 939330160 /nfs/dbraw/zinc/33/01/60/939330160.db2.gz DOTYURHBNWTFRL-SECBINFHSA-N 1 0 280.328 1.915 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001163782769 939330629 /nfs/dbraw/zinc/33/06/29/939330629.db2.gz QNWOSDZFYBRXKQ-QMMMGPOBSA-N 1 0 263.301 1.833 20 5 CDBDRO [NH3+]CCN(CCO)c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001163832841 939339745 /nfs/dbraw/zinc/33/97/45/939339745.db2.gz XNYVJRNMWZRHIM-UHFFFAOYSA-N 1 0 293.245 1.371 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1cc([N+](=O)[O-])cc(F)c1C ZINC001163988604 939373988 /nfs/dbraw/zinc/37/39/88/939373988.db2.gz PLMISDHEWIVYSL-UHFFFAOYSA-N 1 0 264.260 1.995 20 5 CDBDRO Cc1cnc(N2C[C@H](C)CC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001164062558 939403244 /nfs/dbraw/zinc/40/32/44/939403244.db2.gz MFDLSGOIANCAII-MWLCHTKSSA-N 1 0 264.329 1.862 20 5 CDBDRO COc1cnc(N(CCC[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC001164121675 939413458 /nfs/dbraw/zinc/41/34/58/939413458.db2.gz UZNDYLNDXCISJQ-UHFFFAOYSA-N 1 0 268.317 1.562 20 5 CDBDRO CCOc1cnc(N(CCC[NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC001164123152 939413734 /nfs/dbraw/zinc/41/37/34/939413734.db2.gz XEQGGGLHJNIANL-UHFFFAOYSA-N 1 0 282.344 1.952 20 5 CDBDRO CN1CCC(CNc2cccnc2[N+](=O)[O-])([NH+](C)C)CC1 ZINC001164211718 939431072 /nfs/dbraw/zinc/43/10/72/939431072.db2.gz QAYWVQOQXBUKEO-UHFFFAOYSA-N 1 0 293.371 1.428 20 5 CDBDRO [NH3+]CC1(F)CCN(c2cc(Cl)cc([N+](=O)[O-])n2)CC1 ZINC001165262331 939536377 /nfs/dbraw/zinc/53/63/77/939536377.db2.gz ISDJSDTZTOMNEG-UHFFFAOYSA-N 1 0 288.710 1.910 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CCNc2cnc([N+](=O)[O-])cn2)C1 ZINC001165289436 939541082 /nfs/dbraw/zinc/54/10/82/939541082.db2.gz BFTBHYWVTLZYOL-JTQLQIEISA-N 1 0 265.317 1.529 20 5 CDBDRO C[C@]1([NH3+])CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000405739532 940995585 /nfs/dbraw/zinc/99/55/85/940995585.db2.gz BPIBWCFOOXHBFR-ZBKLQPJUSA-N 1 0 275.308 1.558 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@](C)([NH3+])C2)c1[N+](=O)[O-] ZINC000405823775 940998396 /nfs/dbraw/zinc/99/83/96/940998396.db2.gz LCXNONKAANEUAK-ZDUSSCGKSA-N 1 0 263.297 1.467 20 5 CDBDRO Nc1ccc(O[C@@H]2CC[C@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001218122606 941040906 /nfs/dbraw/zinc/04/09/06/941040906.db2.gz HRIBDUDRMFIGCY-CHWSQXEVSA-N 1 0 263.297 1.698 20 5 CDBDRO O=[N+]([O-])c1ncc(Cl)cc1O[C@H]1CCC[NH2+]C1 ZINC001218285061 941051592 /nfs/dbraw/zinc/05/15/92/941051592.db2.gz BVICBYHVYCCTGH-QMMMGPOBSA-N 1 0 257.677 1.774 20 5 CDBDRO [NH3+]C[C@@H](O)CC(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979479 941296364 /nfs/dbraw/zinc/29/63/64/941296364.db2.gz NAFAMTZOIDZIIG-NSHDSACASA-N 1 0 296.330 1.431 20 5 CDBDRO COc1ccc(NC(=O)CO[C@H](C)C[N+](C)(C)C)cc1 ZINC001224697432 941784914 /nfs/dbraw/zinc/78/49/14/941784914.db2.gz HAURGQGNYNXXSE-GFCCVEGCSA-O 1 0 281.376 1.745 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2c1OCCO2 ZINC001226627667 942037328 /nfs/dbraw/zinc/03/73/28/942037328.db2.gz KQBUYLBQVUXYGM-NSHDSACASA-N 1 0 252.334 1.931 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])nc2)C1 ZINC001226711345 942054226 /nfs/dbraw/zinc/05/42/26/942054226.db2.gz CMDGFAHIVWJYGE-LLVKDONJSA-N 1 0 251.286 1.853 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001330584829 942073541 /nfs/dbraw/zinc/07/35/41/942073541.db2.gz OAKQIDGWKCFWRL-GFCCVEGCSA-N 1 0 263.297 1.435 20 5 CDBDRO CCc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(OC)c1 ZINC001227403866 942173226 /nfs/dbraw/zinc/17/32/26/942173226.db2.gz HMFVBVZIJJJGOL-CYBMUJFWSA-N 1 0 296.387 1.620 20 5 CDBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001227466991 942179310 /nfs/dbraw/zinc/17/93/10/942179310.db2.gz QGAFDGDTULVMEX-ZDUSSCGKSA-N 1 0 293.279 1.976 20 5 CDBDRO COC(=O)c1cccc(O[C@H](C)C[N+](C)(C)C)n1 ZINC001227829651 942233892 /nfs/dbraw/zinc/23/38/92/942233892.db2.gz CWUMHGFQYRCMMD-SNVBAGLBSA-N 1 0 253.322 1.342 20 5 CDBDRO CCOC(=O)Cc1nc(O[C@@H](C)C[N+](C)(C)C)cs1 ZINC001229421505 942468457 /nfs/dbraw/zinc/46/84/57/942468457.db2.gz OXPXXSFNXBFCJL-JTQLQIEISA-N 1 0 287.405 1.722 20 5 CDBDRO C[N@@H+]1CCC[C@@H](Oc2cc[n+]([O-])cc2[N+](=O)[O-])CC1 ZINC001229454829 942476387 /nfs/dbraw/zinc/47/63/87/942476387.db2.gz RCPMSVVRJFWYCB-SNVBAGLBSA-N 1 0 267.285 1.091 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(c1)CNC(=O)C2 ZINC001229636559 942502687 /nfs/dbraw/zinc/50/26/87/942502687.db2.gz PNOHYJUKKGVYJO-NSHDSACASA-O 1 0 263.361 1.332 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2c(C)ccnc2[N+](=O)[O-])C1 ZINC001233556068 943615706 /nfs/dbraw/zinc/61/57/06/943615706.db2.gz JRMBUCYAKOZWLI-JTQLQIEISA-N 1 0 251.286 1.771 20 5 CDBDRO CC[N@H+](C)C[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001262684662 943668810 /nfs/dbraw/zinc/66/88/10/943668810.db2.gz AXMRXBJAXFGARC-JTQLQIEISA-N 1 0 279.344 1.350 20 5 CDBDRO C[C@H](Nc1cccc(F)c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001262705732 943676726 /nfs/dbraw/zinc/67/67/26/943676726.db2.gz QYFUJPZPVZTXDV-GXFFZTMASA-N 1 0 296.346 1.780 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCOC1=O ZINC001254538823 947515485 /nfs/dbraw/zinc/51/54/85/947515485.db2.gz CDPOLLBSLSSOSD-LLVKDONJSA-N 1 0 293.323 1.568 20 5 CDBDRO COC[C@@H](C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254566418 947527773 /nfs/dbraw/zinc/52/77/73/947527773.db2.gz JXWMULROEVMAND-BXKDBHETSA-N 1 0 250.298 1.687 20 5 CDBDRO Cc1nccn1CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254571722 947531617 /nfs/dbraw/zinc/53/16/17/947531617.db2.gz AUZNLQZZPBPRRO-CQSZACIVSA-N 1 0 286.335 1.857 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)C2 ZINC001254574184 947533579 /nfs/dbraw/zinc/53/35/79/947533579.db2.gz GQDZPPFKTMBNFE-DUFXMDAXSA-N 1 0 262.309 1.423 20 5 CDBDRO CCC1([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)COC1 ZINC001254575203 947535370 /nfs/dbraw/zinc/53/53/70/947535370.db2.gz POBUNUFHVLARFM-LBPRGKRZSA-N 1 0 262.309 1.831 20 5 CDBDRO CN1C[C@@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1=O ZINC001254583754 947538696 /nfs/dbraw/zinc/53/86/96/947538696.db2.gz NYARYAZGRMYDPX-QWHCGFSZSA-N 1 0 289.335 1.272 20 5 CDBDRO N=c1ncc(C[NH3+])cn1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254586724 947542452 /nfs/dbraw/zinc/54/24/52/947542452.db2.gz RVRMMNZCSAQFRH-ZDUSSCGKSA-N 1 0 285.307 1.069 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCc3ncncc3C1)C2 ZINC001254600964 947550436 /nfs/dbraw/zinc/55/04/36/947550436.db2.gz SUSLGEBVJWKMKZ-OAHLLOKOSA-N 1 0 296.330 1.910 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246103699 947953658 /nfs/dbraw/zinc/95/36/58/947953658.db2.gz YMBHPQPRQBVTNA-WDBKCZKBSA-N 1 0 275.352 1.650 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCNC[C@@H]1F ZINC001246113145 947965322 /nfs/dbraw/zinc/96/53/22/947965322.db2.gz SIIOATUUEMRQLW-BPNCWPANSA-N 1 0 281.331 1.815 20 5 CDBDRO [NH3+][C@@H]1C[C@H](F)CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246571096 948294043 /nfs/dbraw/zinc/29/40/43/948294043.db2.gz DBEXXDYLJSHIOK-SCRDCRAPSA-N 1 0 279.315 1.433 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001247791905 948781125 /nfs/dbraw/zinc/78/11/25/948781125.db2.gz JGSYWZVQBFNMKX-HTRCEHHLSA-N 1 0 293.258 1.774 20 5 CDBDRO O=C(CC[NH2+]C1CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327130192 954723199 /nfs/dbraw/zinc/72/31/99/954723199.db2.gz FHPSCYNKICCEOP-UHFFFAOYSA-N 1 0 275.308 1.579 20 5 CDBDRO NC1=CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)[NH2+]1 ZINC001307206880 956377573 /nfs/dbraw/zinc/37/75/73/956377573.db2.gz VYCBPAFNRYKFER-UHFFFAOYSA-N 1 0 275.190 1.133 20 5 CDBDRO CC(C)(O)[C@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001307537899 956418324 /nfs/dbraw/zinc/41/83/24/956418324.db2.gz MZDAIXQKTNBJKD-CQSZACIVSA-N 1 0 294.351 1.691 20 5 CDBDRO CCc1ccc(C(=O)N(CC)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC001332094278 957430818 /nfs/dbraw/zinc/43/08/18/957430818.db2.gz GCVBYSIBFMXXOC-CYBMUJFWSA-N 1 0 291.351 1.981 20 5 CDBDRO C[C@H](CNc1c([N+](=O)[O-])cnn1C)C[NH+]1CCCC1 ZINC001333679851 958506941 /nfs/dbraw/zinc/50/69/41/958506941.db2.gz XVYSLYHDMQEUAY-SNVBAGLBSA-N 1 0 267.333 1.472 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC001320575863 959250819 /nfs/dbraw/zinc/25/08/19/959250819.db2.gz LUKCTVOWPLSGIF-GFCCVEGCSA-N 1 0 276.340 1.973 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cnccn1 ZINC001335317547 959707683 /nfs/dbraw/zinc/70/76/83/959707683.db2.gz OCKPYNCSBRKEOH-QMTHXVAHSA-N 1 0 288.307 1.769 20 5 CDBDRO O=[N+]([O-])c1ccccc1NCC[NH2+]CC1(O)CCC1 ZINC001335384889 959763832 /nfs/dbraw/zinc/76/38/32/959763832.db2.gz RUOPFJLLMANUNU-UHFFFAOYSA-N 1 0 265.313 1.511 20 5 CDBDRO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC001335487190 959839955 /nfs/dbraw/zinc/83/99/55/959839955.db2.gz VLFDZVWUPQCRRJ-ZFWWWQNUSA-N 1 0 277.368 1.763 20 5 CDBDRO COC[C@H]1CC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001336685072 960465887 /nfs/dbraw/zinc/46/58/87/960465887.db2.gz ANIBLZBTIOKNRA-JTQLQIEISA-N 1 0 296.323 1.777 20 5 CDBDRO Cc1nn(CN2CC[NH+](C(C)(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC001323444042 960736694 /nfs/dbraw/zinc/73/66/94/960736694.db2.gz ZGQUTBYMNGAADL-UHFFFAOYSA-N 1 0 295.387 1.782 20 5 CDBDRO C[C@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC001339611632 962453555 /nfs/dbraw/zinc/45/35/55/962453555.db2.gz ZTBLBAJKSDZFRV-IUCAKERBSA-N 1 0 277.328 1.609 20 5 CDBDRO CC[C@H](C)[NH+]1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2C)CC1 ZINC001339668658 962477289 /nfs/dbraw/zinc/47/72/89/962477289.db2.gz PSTIVXXJVYRWPU-QWRGUYRKSA-N 1 0 296.375 1.073 20 5 CDBDRO CC[C@H](C)[NH+]1CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001339741651 962512309 /nfs/dbraw/zinc/51/23/09/962512309.db2.gz GTBOXXWQSZLXSS-JTQLQIEISA-N 1 0 279.344 1.493 20 5 CDBDRO C[C@@H](Nc1ccnc(F)c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001339815414 962555438 /nfs/dbraw/zinc/55/54/38/962555438.db2.gz MNANUWHJJVYHFQ-MWLCHTKSSA-N 1 0 297.334 1.175 20 5 CDBDRO Cc1ccc(C(=O)N2CCC3(C[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC001340555439 963003394 /nfs/dbraw/zinc/00/33/94/963003394.db2.gz FGSVKVFFAUWTMN-UHFFFAOYSA-N 1 0 289.335 1.729 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]1CC[NH2+][C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001342594172 963772699 /nfs/dbraw/zinc/77/26/99/963772699.db2.gz ZWEPHQWLDZINGI-GBIKHYSHSA-N 1 0 277.324 1.770 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCC(F)F)c1 ZINC001353286633 967859505 /nfs/dbraw/zinc/85/95/05/967859505.db2.gz DBEFIHZLMHASMC-JTQLQIEISA-N 1 0 260.240 1.873 20 5 CDBDRO Cc1cccc(N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC001354267243 968587357 /nfs/dbraw/zinc/58/73/57/968587357.db2.gz XZPVGTNAKCRKOO-OCCSQVGLSA-N 1 0 292.383 1.949 20 5 CDBDRO C[NH2+]CCCCC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001522325272 970419536 /nfs/dbraw/zinc/41/95/36/970419536.db2.gz BVZPPNPYUIYQGU-UHFFFAOYSA-N 1 0 279.340 1.909 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001522746176 970547196 /nfs/dbraw/zinc/54/71/96/970547196.db2.gz YSQSTHJKYOHTJW-VHSXEESVSA-N 1 0 265.313 1.628 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1CC[NH2+]C1 ZINC001574159017 1170899461 /nfs/dbraw/zinc/89/94/61/1170899461.db2.gz NNMDVSUYJLGAOE-SECBINFHSA-N 1 0 250.254 1.418 20 5 CDBDRO [NH3+]C1(CC(=O)NCc2ccccc2[N+](=O)[O-])CCC1 ZINC000094295285 342477373 /nfs/dbraw/zinc/47/73/73/342477373.db2.gz MNSLMORHCKGPMO-UHFFFAOYSA-N 1 0 263.297 1.483 20 5 CDBDRO NC(=O)C[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000589209930 342500515 /nfs/dbraw/zinc/50/05/15/342500515.db2.gz YUAUZLAECOMZHH-FHMRSRPSSA-N 1 0 289.335 1.805 20 5 CDBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2COC[C@@H]2O)cc1[N+](=O)[O-] ZINC000601291884 342549741 /nfs/dbraw/zinc/54/97/41/342549741.db2.gz PCGALVZMTNWBGE-NDMJEZRESA-N 1 0 296.323 1.404 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2COCC[C@H]2O)cc1[N+](=O)[O-] ZINC000601303895 342550871 /nfs/dbraw/zinc/55/08/71/342550871.db2.gz JYPVXWBWPRVUJH-MPKXVKKWSA-N 1 0 280.324 1.704 20 5 CDBDRO COCC[N@H+](C)CCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000041951241 342005046 /nfs/dbraw/zinc/00/50/46/342005046.db2.gz VQMIZMATTNKNKB-UHFFFAOYSA-N 1 0 295.339 1.293 20 5 CDBDRO Cc1c(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000601328868 342554521 /nfs/dbraw/zinc/55/45/21/342554521.db2.gz BCKDLOIUKWRLJX-BETUJISGSA-N 1 0 261.325 1.839 20 5 CDBDRO C[C@@H]1[C@@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])CCC[N@@H+]1C ZINC000342834859 361750509 /nfs/dbraw/zinc/75/05/09/361750509.db2.gz LARPUCXNTJGFJV-KOLCDFICSA-N 1 0 292.339 1.588 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000590569897 342576985 /nfs/dbraw/zinc/57/69/85/342576985.db2.gz UOHCFQFQOJUYCZ-KOLCDFICSA-N 1 0 250.302 1.519 20 5 CDBDRO CO[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000167218090 342073730 /nfs/dbraw/zinc/07/37/30/342073730.db2.gz MWUDQXJUJUXSOZ-MNOVXSKESA-N 1 0 293.323 1.173 20 5 CDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1CC[NH2+]C1 ZINC000273085999 192038144 /nfs/dbraw/zinc/03/81/44/192038144.db2.gz YUKYITROQDQGIO-NSHDSACASA-N 1 0 293.323 1.089 20 5 CDBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)[C@@H](C)C[NH2+]1 ZINC000591433870 342631447 /nfs/dbraw/zinc/63/14/47/342631447.db2.gz CEENIHWNWZORSS-SFYZADRCSA-N 1 0 254.265 1.316 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000591348312 342626881 /nfs/dbraw/zinc/62/68/81/342626881.db2.gz QCXOFTOKGOPFSV-RYUDHWBXSA-N 1 0 292.339 1.664 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000591361318 342628449 /nfs/dbraw/zinc/62/84/49/342628449.db2.gz SXWJEKCUDSFENR-VIFPVBQESA-N 1 0 280.328 1.476 20 5 CDBDRO Cc1nc(N2CC[C@H]3CC[NH2+][C@@H]3C2)ccc1[N+](=O)[O-] ZINC000591437354 342631930 /nfs/dbraw/zinc/63/19/30/342631930.db2.gz GQAJCWSGKBMDLZ-GHMZBOCLSA-N 1 0 262.313 1.486 20 5 CDBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1ccc(F)cc1[N+](=O)[O-] ZINC000294970110 199274945 /nfs/dbraw/zinc/27/49/45/199274945.db2.gz XIHNRFYQMJSCBL-LLVKDONJSA-N 1 0 295.314 1.996 20 5 CDBDRO CCOC(=O)Cc1ccc(NCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000591888837 342653100 /nfs/dbraw/zinc/65/31/00/342653100.db2.gz FCQZLVNXERMOCZ-UHFFFAOYSA-N 1 0 295.339 1.674 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000591686198 342643261 /nfs/dbraw/zinc/64/32/61/342643261.db2.gz REOWMFVAYHNVKB-UWVGGRQHSA-N 1 0 281.287 1.333 20 5 CDBDRO C[C@@H](O)C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000591741010 342644929 /nfs/dbraw/zinc/64/49/29/342644929.db2.gz JHPATLQOGKZDFO-LLVKDONJSA-N 1 0 252.314 1.888 20 5 CDBDRO Cc1ccc(C(=O)N2CCC(C)([NH3+])CC2)cc1[N+](=O)[O-] ZINC000592331447 342685262 /nfs/dbraw/zinc/68/52/62/342685262.db2.gz OVOCTEVFOKFJIO-UHFFFAOYSA-N 1 0 277.324 1.857 20 5 CDBDRO Cc1c(CC(=O)N2CCC(C)([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000592329195 342685288 /nfs/dbraw/zinc/68/52/88/342685288.db2.gz PNXYJPINLKHLQP-UHFFFAOYSA-N 1 0 291.351 1.786 20 5 CDBDRO CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC([NH3+])C1 ZINC000592433821 342691820 /nfs/dbraw/zinc/69/18/20/342691820.db2.gz YIBDFBKEGPUIJS-UHFFFAOYSA-N 1 0 293.323 1.288 20 5 CDBDRO C[C@H](O)CCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592430576 342695307 /nfs/dbraw/zinc/69/53/07/342695307.db2.gz SFOBQUCWQDFYGD-NSHDSACASA-N 1 0 295.339 1.674 20 5 CDBDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000060624689 342156709 /nfs/dbraw/zinc/15/67/09/342156709.db2.gz RZHGKNVHCHRWIF-UHFFFAOYSA-N 1 0 285.369 1.974 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000289933828 361910515 /nfs/dbraw/zinc/91/05/15/361910515.db2.gz LCUIRJATDIDAQE-CHWSQXEVSA-N 1 0 291.351 1.642 20 5 CDBDRO CSc1ccc(C(=O)N2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000125528565 187189675 /nfs/dbraw/zinc/18/96/75/187189675.db2.gz XIYYFUAJOUOAQW-VIFPVBQESA-N 1 0 295.364 1.751 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1COCCN1)CCC2 ZINC000600707686 342243199 /nfs/dbraw/zinc/24/31/99/342243199.db2.gz ACVNCAAGWGEEPX-IUODEOHRSA-N 1 0 291.351 1.550 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1CC=CC1 ZINC000600752447 342248271 /nfs/dbraw/zinc/24/82/71/342248271.db2.gz XQOBBTUWXZDCGG-CYBMUJFWSA-N 1 0 292.335 1.890 20 5 CDBDRO CC(C)Oc1nc(NC[C@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000594548798 342916266 /nfs/dbraw/zinc/91/62/66/342916266.db2.gz FFUFCNIRQGLDMF-LLVKDONJSA-N 1 0 294.355 1.563 20 5 CDBDRO CO[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)[C@H](C[NH3+])C1 ZINC000252778023 536688284 /nfs/dbraw/zinc/68/82/84/536688284.db2.gz QQBYZFYJBKRKTE-UONOGXRCSA-N 1 0 293.367 1.841 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000609406056 342293059 /nfs/dbraw/zinc/29/30/59/342293059.db2.gz GQRRIHZJEGOBIT-LLVKDONJSA-N 1 0 287.323 1.623 20 5 CDBDRO O=C(C[C@H]1CSCC[NH2+]1)NCc1cccc([N+](=O)[O-])c1 ZINC000091291083 349725149 /nfs/dbraw/zinc/72/51/49/349725149.db2.gz UESLDSDBELTXLR-NSHDSACASA-N 1 0 295.364 1.306 20 5 CDBDRO Cn1ccnc1[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000534581373 282201313 /nfs/dbraw/zinc/20/13/13/282201313.db2.gz IEMKWSIDXXNPGV-NSHDSACASA-N 1 0 290.327 1.014 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000595269243 343019065 /nfs/dbraw/zinc/01/90/65/343019065.db2.gz RWJZXLIOAQAHGD-QWRGUYRKSA-N 1 0 294.355 1.871 20 5 CDBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC(C)(C)O ZINC000595323999 343035893 /nfs/dbraw/zinc/03/58/93/343035893.db2.gz YPNWEKJXKHFFET-UHFFFAOYSA-N 1 0 256.277 1.937 20 5 CDBDRO Cc1noc(C[N@@H+]2CC[C@@H](O)C23CCCC3)c1[N+](=O)[O-] ZINC000595499894 343078311 /nfs/dbraw/zinc/07/83/11/343078311.db2.gz HEZWVAAZVYZIQB-LLVKDONJSA-N 1 0 281.312 1.771 20 5 CDBDRO CC(C)[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000078022637 342333062 /nfs/dbraw/zinc/33/30/62/342333062.db2.gz WUOVLURXCLDOBI-GFCCVEGCSA-N 1 0 264.329 1.766 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000078424774 342336995 /nfs/dbraw/zinc/33/69/95/342336995.db2.gz IRXORCMQLBALLU-LBPRGKRZSA-N 1 0 293.371 1.641 20 5 CDBDRO C[NH+](C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000457208849 365715072 /nfs/dbraw/zinc/71/50/72/365715072.db2.gz OKGGRPSXDOYNFR-UHFFFAOYSA-N 1 0 283.303 1.804 20 5 CDBDRO C[C@H](Cn1cccn1)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000264351610 365739115 /nfs/dbraw/zinc/73/91/15/365739115.db2.gz HFPKFXFCQHXOCJ-GFCCVEGCSA-N 1 0 290.323 1.848 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000595942011 343204150 /nfs/dbraw/zinc/20/41/50/343204150.db2.gz FQMPYTFBHIBTOU-UHFFFAOYSA-N 1 0 269.276 1.543 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000595983474 343211225 /nfs/dbraw/zinc/21/12/25/343211225.db2.gz OZRYMIBYVKVCPF-SSDOTTSWSA-N 1 0 255.249 1.072 20 5 CDBDRO CC(C)C[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)[NH+](C)C ZINC000596070273 343225191 /nfs/dbraw/zinc/22/51/91/343225191.db2.gz AFECJPJOIUTZBY-JTQLQIEISA-N 1 0 281.360 1.382 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(N)c([N+](=O)[O-])n1 ZINC000596177813 343261584 /nfs/dbraw/zinc/26/15/84/343261584.db2.gz HCMMVOCOGUYTTF-DTWKUNHWSA-N 1 0 265.317 1.101 20 5 CDBDRO C[C@H](CCNC(=O)NCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000596211964 343267841 /nfs/dbraw/zinc/26/78/41/343267841.db2.gz ZNFFVRPCKMNEMD-LLVKDONJSA-N 1 0 294.355 1.734 20 5 CDBDRO CC(C)Oc1nc(NCC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596431607 343319480 /nfs/dbraw/zinc/31/94/80/343319480.db2.gz PPGNZXRUKSCXNA-NSHDSACASA-N 1 0 296.371 1.951 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NCC[C@@H](C)[NH+](C)C ZINC000596434485 343320774 /nfs/dbraw/zinc/32/07/74/343320774.db2.gz WZEVOFDWXXRMFT-SNVBAGLBSA-N 1 0 252.318 1.472 20 5 CDBDRO COC[C@](C)(O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000382541788 362163189 /nfs/dbraw/zinc/16/31/89/362163189.db2.gz BDPKVMFWXYHNSU-GXFFZTMASA-N 1 0 268.313 1.643 20 5 CDBDRO O=[N+]([O-])c1cnc(NCC2CC[NH+](CC3CC3)CC2)nc1 ZINC000596564470 343343669 /nfs/dbraw/zinc/34/36/69/343343669.db2.gz ZCGQHXNJVMUDPF-UHFFFAOYSA-N 1 0 291.355 1.341 20 5 CDBDRO CCOC(=O)c1cc(NCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000090998393 342398271 /nfs/dbraw/zinc/39/82/71/342398271.db2.gz JQGBJQWJLBKNGK-UHFFFAOYSA-N 1 0 281.312 1.745 20 5 CDBDRO CCOCC[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000093314342 342425236 /nfs/dbraw/zinc/42/52/36/342425236.db2.gz IIXDNNITGVLMSZ-CYBMUJFWSA-N 1 0 268.313 1.597 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000139670689 342432737 /nfs/dbraw/zinc/43/27/37/342432737.db2.gz LVIXPZUEIXTVMS-LLVKDONJSA-N 1 0 290.323 1.953 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000219747358 342439581 /nfs/dbraw/zinc/43/95/81/342439581.db2.gz VPTAVQDRBZUNJM-ZTYXWKCZSA-N 1 0 261.281 1.168 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[C@H]([NH+](C)C)CC1 ZINC000277252613 282256941 /nfs/dbraw/zinc/25/69/41/282256941.db2.gz VVBZEFYKCBFFQR-JTQLQIEISA-N 1 0 267.333 1.249 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000619578691 349810459 /nfs/dbraw/zinc/81/04/59/349810459.db2.gz MWYCZRSASSRAKT-SNVBAGLBSA-N 1 0 281.312 1.744 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCCC[C@@H]1CCC[NH2+]1 ZINC000295001037 199294262 /nfs/dbraw/zinc/29/42/62/199294262.db2.gz ZZPFCUFVJHPSJV-ZDUSSCGKSA-N 1 0 291.351 1.786 20 5 CDBDRO C[C@H](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000597992412 343682559 /nfs/dbraw/zinc/68/25/59/343682559.db2.gz KHHXDBYHIFJADG-SECBINFHSA-N 1 0 283.303 1.804 20 5 CDBDRO CC1(C)CC[C@@H](CO)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000598647479 343857120 /nfs/dbraw/zinc/85/71/20/343857120.db2.gz MXRLAUBHABWTER-NSHDSACASA-N 1 0 282.344 1.274 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598668620 343871723 /nfs/dbraw/zinc/87/17/23/343871723.db2.gz BWUGLFPCPYFMLW-NHYWBVRUSA-N 1 0 289.335 1.857 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598912910 343919138 /nfs/dbraw/zinc/91/91/38/343919138.db2.gz CUJXPTUYCMSNSP-RKDXNWHRSA-N 1 0 296.302 1.983 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915502 343919543 /nfs/dbraw/zinc/91/95/43/343919543.db2.gz NGDSEDWPUYNNCE-ZETCQYMHSA-N 1 0 270.264 1.450 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]1CC[NH3+] ZINC000404382348 347037027 /nfs/dbraw/zinc/03/70/27/347037027.db2.gz UTKUYQSPOIPCRO-KOLCDFICSA-N 1 0 280.328 1.512 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601557210 344190913 /nfs/dbraw/zinc/19/09/13/344190913.db2.gz NAPHBTGWZBDXSU-YPMHNXCESA-N 1 0 289.335 1.809 20 5 CDBDRO Cc1cc(C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)ccc1[N+](=O)[O-] ZINC000601974136 344301513 /nfs/dbraw/zinc/30/15/13/344301513.db2.gz MOWBBFAWDLAJQI-DOMZBBRYSA-N 1 0 289.335 1.775 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602517722 344451748 /nfs/dbraw/zinc/45/17/48/344451748.db2.gz FEQZTUCRNVPIPS-UHFFFAOYSA-N 1 0 269.276 1.543 20 5 CDBDRO C[C@H]1CN(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602543298 344460954 /nfs/dbraw/zinc/46/09/54/344460954.db2.gz ADIHNOCGUOCGGQ-ZDUSSCGKSA-N 1 0 293.367 1.448 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCOC3)CC2)cn1 ZINC000602572617 344486632 /nfs/dbraw/zinc/48/66/32/344486632.db2.gz RSUZIYCSPDDTBC-GFCCVEGCSA-N 1 0 292.339 1.337 20 5 CDBDRO COC(=O)C1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602625828 344497712 /nfs/dbraw/zinc/49/77/12/344497712.db2.gz VOZJBSZGIKRNQY-UHFFFAOYSA-N 1 0 278.308 1.680 20 5 CDBDRO CC[C@]1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000128966815 362436936 /nfs/dbraw/zinc/43/69/36/362436936.db2.gz WTVUBPKSLZRGMM-OAHLLOKOSA-N 1 0 291.351 1.786 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@@H]1CCOC1 ZINC000602776355 344578729 /nfs/dbraw/zinc/57/87/29/344578729.db2.gz FTRMBDOMKHCOFZ-NSHDSACASA-N 1 0 268.317 1.068 20 5 CDBDRO [NH3+][C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000261933563 344689785 /nfs/dbraw/zinc/68/97/85/344689785.db2.gz LPDVEWCXTVLGHW-LLVKDONJSA-N 1 0 283.715 1.715 20 5 CDBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](O)CC2)c1 ZINC000293037001 362526707 /nfs/dbraw/zinc/52/67/07/362526707.db2.gz GPRTVSBMGOTQHV-CYBMUJFWSA-N 1 0 250.298 1.942 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCCCS2(=O)=O)c1 ZINC000344350382 362572479 /nfs/dbraw/zinc/57/24/79/362572479.db2.gz IPEKFISFSBBMKW-CYBMUJFWSA-N 1 0 298.364 1.652 20 5 CDBDRO O=C(NCC1CC[NH2+]CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000129047610 345253504 /nfs/dbraw/zinc/25/35/04/345253504.db2.gz AQAOJHUUAHJHCG-UHFFFAOYSA-N 1 0 281.287 1.463 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000129205663 345274841 /nfs/dbraw/zinc/27/48/41/345274841.db2.gz GKLRTLPEKCZUDD-GZMMTYOYSA-N 1 0 281.287 1.686 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(c2cccnc2[N+](=O)[O-])C1 ZINC000609595544 345822283 /nfs/dbraw/zinc/82/22/83/345822283.db2.gz DCNQXGYKLQNFDX-JTQLQIEISA-N 1 0 250.302 1.378 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3sccc3[N+](=O)[O-])C[C@H]2C1 ZINC000618686168 345998985 /nfs/dbraw/zinc/99/89/85/345998985.db2.gz DWEBADKJCMXBOU-DTORHVGOSA-N 1 0 253.327 1.654 20 5 CDBDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1ccc([N+](=O)[O-])n1 ZINC000305291248 349945881 /nfs/dbraw/zinc/94/58/81/349945881.db2.gz GDRMPRXGWSWQRW-CYBMUJFWSA-N 1 0 290.323 1.284 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCN(CCCO)C1 ZINC000295138138 199366889 /nfs/dbraw/zinc/36/68/89/199366889.db2.gz PLULWIKNBQVDFP-AWEZNQCLSA-N 1 0 293.367 1.531 20 5 CDBDRO NC(=O)c1ccc(C[N@@H+]2C[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000610585167 346320307 /nfs/dbraw/zinc/32/03/07/346320307.db2.gz CTTGMUVAVFSGKJ-PWSUYJOCSA-N 1 0 275.308 1.678 20 5 CDBDRO C[C@@H]1CCC[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000231658600 346560517 /nfs/dbraw/zinc/56/05/17/346560517.db2.gz UBQKSXVEZMJJCS-MBNYWOFBSA-N 1 0 296.371 1.568 20 5 CDBDRO Cc1nc(N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000611299033 346741052 /nfs/dbraw/zinc/74/10/52/346741052.db2.gz JDXUSGOKBSAWOM-QWRGUYRKSA-N 1 0 264.329 1.827 20 5 CDBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])nc3)[C@H]2C1 ZINC000611510290 346800850 /nfs/dbraw/zinc/80/08/50/346800850.db2.gz HMHXTXJJYNALCV-JQWIXIFHSA-N 1 0 262.313 1.520 20 5 CDBDRO C[C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000293650279 362802857 /nfs/dbraw/zinc/80/28/57/362802857.db2.gz FAXGPCSJWTXMNY-VIFPVBQESA-N 1 0 283.303 1.661 20 5 CDBDRO CC[NH2+]Cc1cn(Cc2cccc([N+](=O)[O-])c2C)nn1 ZINC000090296358 347651456 /nfs/dbraw/zinc/65/14/56/347651456.db2.gz DAMOCCCCZBQUCY-UHFFFAOYSA-N 1 0 275.312 1.653 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000122516167 347652067 /nfs/dbraw/zinc/65/20/67/347652067.db2.gz MLQLYQSNCXUPHQ-PSASIEDQSA-N 1 0 283.353 1.856 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[C@@H]1[NH3+] ZINC000122540793 347654675 /nfs/dbraw/zinc/65/46/75/347654675.db2.gz LTDYNGWDYWWJIZ-SCZZXKLOSA-N 1 0 266.301 1.122 20 5 CDBDRO C[NH+]1CCC(NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000054147824 347816698 /nfs/dbraw/zinc/81/66/98/347816698.db2.gz CONRQIZTDQZZNJ-UHFFFAOYSA-N 1 0 293.323 1.184 20 5 CDBDRO C[C@H](O)C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128712399 187386435 /nfs/dbraw/zinc/38/64/35/187386435.db2.gz FOHWTMWOWMJUHJ-VIFPVBQESA-N 1 0 299.302 1.375 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000046464502 348791913 /nfs/dbraw/zinc/79/19/13/348791913.db2.gz LIOFEVUHYVRUOP-UHFFFAOYSA-N 1 0 255.274 1.259 20 5 CDBDRO COc1cc(NC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000104246559 185941866 /nfs/dbraw/zinc/94/18/66/185941866.db2.gz OPRXUBZBFZZNKH-SNVBAGLBSA-N 1 0 251.286 1.767 20 5 CDBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000073656702 349172970 /nfs/dbraw/zinc/17/29/70/349172970.db2.gz XZIXCKWLJQUCSY-SNVBAGLBSA-N 1 0 280.328 1.527 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000617840332 349244178 /nfs/dbraw/zinc/24/41/78/349244178.db2.gz VDCIOJDWYCXXKL-GHMZBOCLSA-N 1 0 292.339 1.390 20 5 CDBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](CCO)CC2)nc1 ZINC000105791648 186071644 /nfs/dbraw/zinc/07/16/44/186071644.db2.gz VIFRUNMRMSOGQT-UHFFFAOYSA-N 1 0 280.328 1.106 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000106364170 186110272 /nfs/dbraw/zinc/11/02/72/186110272.db2.gz MPZVWRVFZZHTCD-LLVKDONJSA-N 1 0 295.314 1.900 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H]2CCC[NH2+]C2)c(N)c([N+](=O)[O-])c1 ZINC000130020529 187465873 /nfs/dbraw/zinc/46/58/73/187465873.db2.gz PCMIUBAHOUDWKH-SNVBAGLBSA-N 1 0 292.339 1.215 20 5 CDBDRO Cc1n[nH]c(C(=O)N2CCC[N@@H+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000069536708 351187449 /nfs/dbraw/zinc/18/74/49/351187449.db2.gz HYNBUCJWDIZGQV-UHFFFAOYSA-N 1 0 295.343 1.183 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000516520387 363129377 /nfs/dbraw/zinc/12/93/77/363129377.db2.gz NTVLGAYWQRDVFP-SNVBAGLBSA-N 1 0 282.344 1.392 20 5 CDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]1 ZINC000153256225 188073922 /nfs/dbraw/zinc/07/39/22/188073922.db2.gz SHQUJGABPUPPNK-CQSZACIVSA-N 1 0 291.351 1.786 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000295182215 199392208 /nfs/dbraw/zinc/39/22/08/199392208.db2.gz HQWHAHNNECCBBW-QMMMGPOBSA-N 1 0 296.283 1.279 20 5 CDBDRO Cc1ccc(C[NH2+]CC2(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000279660056 363249347 /nfs/dbraw/zinc/24/93/47/363249347.db2.gz LTYQXYIFGYJWHZ-UHFFFAOYSA-N 1 0 298.364 1.570 20 5 CDBDRO Cc1cc(C(=O)NC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000036962383 363298572 /nfs/dbraw/zinc/29/85/72/363298572.db2.gz XQSAHJFORYLDML-UHFFFAOYSA-N 1 0 263.297 1.385 20 5 CDBDRO C[N@H+]1CC=C(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000271766091 191313599 /nfs/dbraw/zinc/31/35/99/191313599.db2.gz ATJQRMRWBVFHIO-UHFFFAOYSA-N 1 0 293.298 1.726 20 5 CDBDRO C[C@H](Nc1c([N+](=O)[O-])ncn1C)C1=CC[N@H+](C)CC1 ZINC000273007138 192015419 /nfs/dbraw/zinc/01/54/19/192015419.db2.gz RVUCHUYUOQAZFQ-VIFPVBQESA-N 1 0 265.317 1.391 20 5 CDBDRO COC[C@@H](CCO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219223994 356239164 /nfs/dbraw/zinc/23/91/64/356239164.db2.gz CANOSDVNWXQDPK-ZYHUDNBSSA-N 1 0 268.313 1.643 20 5 CDBDRO COc1ccc(C[NH2+]C[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000134695763 356379369 /nfs/dbraw/zinc/37/93/69/356379369.db2.gz RWMBIUSDFQCBMZ-LBPRGKRZSA-N 1 0 268.313 1.710 20 5 CDBDRO C[C@H]1[NH2+]CC[C@@H]1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001579500024 1172200051 /nfs/dbraw/zinc/20/00/51/1172200051.db2.gz PLFWBHLEGUJPEI-KCJUWKMLSA-N 1 0 299.277 1.553 20 5 CDBDRO COc1cccc(NC[C@@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000134908127 356460249 /nfs/dbraw/zinc/46/02/49/356460249.db2.gz KNIGQYNHYYWVGK-SECBINFHSA-N 1 0 253.302 1.965 20 5 CDBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2c([N+](=O)[O-])ncn2C)C[C@@H](C)C1 ZINC000488774456 291096575 /nfs/dbraw/zinc/09/65/75/291096575.db2.gz YNMAHYSWSOVYKC-SRVKXCTJSA-N 1 0 293.371 1.495 20 5 CDBDRO CC(C)N(CC[NH+](C)C)c1ccc([N+](=O)[O-])cn1 ZINC000274330748 356766023 /nfs/dbraw/zinc/76/60/23/356766023.db2.gz FTDFRFFQXQAMRA-UHFFFAOYSA-N 1 0 252.318 1.766 20 5 CDBDRO C[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000163638124 357001623 /nfs/dbraw/zinc/00/16/23/357001623.db2.gz CBHBLSZUIRRTSA-GXSJLCMTSA-N 1 0 295.314 1.791 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](O)C1 ZINC000051205013 357208961 /nfs/dbraw/zinc/20/89/61/357208961.db2.gz SLNRTGZNUXLDSR-NSHDSACASA-N 1 0 266.297 1.430 20 5 CDBDRO C[N@H+](C[C@H](O)COc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000290514167 357210596 /nfs/dbraw/zinc/21/05/96/357210596.db2.gz BSWYXNAXIJBTJT-NSHDSACASA-N 1 0 284.287 1.568 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360554584 357445717 /nfs/dbraw/zinc/44/57/17/357445717.db2.gz XNNOVOCXEKYVFZ-CQSZACIVSA-N 1 0 279.315 1.919 20 5 CDBDRO C[N@H+](C[C@H](O)COc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000290729689 357460624 /nfs/dbraw/zinc/46/06/24/357460624.db2.gz FTQJUZNHRUYRAI-LBPRGKRZSA-N 1 0 266.297 1.429 20 5 CDBDRO C[N@H+](C[C@@H](O)COc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000290729687 357461899 /nfs/dbraw/zinc/46/18/99/357461899.db2.gz FTQJUZNHRUYRAI-GFCCVEGCSA-N 1 0 266.297 1.429 20 5 CDBDRO NC(=O)C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283088553 357523985 /nfs/dbraw/zinc/52/39/85/357523985.db2.gz LCNANRTYALSHRW-JTQLQIEISA-N 1 0 295.314 1.821 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000186751819 357684159 /nfs/dbraw/zinc/68/41/59/357684159.db2.gz NCZGMQXQNLTKLZ-UHFFFAOYSA-N 1 0 292.339 1.343 20 5 CDBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000264660155 357745763 /nfs/dbraw/zinc/74/57/63/357745763.db2.gz SQRHXEXOWFWZAT-LLVKDONJSA-N 1 0 289.335 1.809 20 5 CDBDRO O=c1c([N+](=O)[O-])cccn1CCC[NH+]1CCCCC1 ZINC000187684720 357795320 /nfs/dbraw/zinc/79/53/20/357795320.db2.gz VXZGKUSSQBPWFI-UHFFFAOYSA-N 1 0 265.313 1.633 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135238073 357801867 /nfs/dbraw/zinc/80/18/67/357801867.db2.gz OVUBLULLJZRRNV-GFCCVEGCSA-N 1 0 265.313 1.237 20 5 CDBDRO CC(C)Oc1nc(N[C@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000566478162 357837328 /nfs/dbraw/zinc/83/73/28/357837328.db2.gz HOEQLXWDQKNMKV-LLVKDONJSA-N 1 0 296.371 1.951 20 5 CDBDRO CC[NH+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286885757 358023711 /nfs/dbraw/zinc/02/37/11/358023711.db2.gz IRIFSGRLUJKVKZ-UHFFFAOYSA-N 1 0 293.352 1.741 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001579642843 1172232256 /nfs/dbraw/zinc/23/22/56/1172232256.db2.gz YRUNBMKVEKCRKM-MGCOHNPYSA-N 1 0 278.312 1.762 20 5 CDBDRO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000368974808 283339227 /nfs/dbraw/zinc/33/92/27/283339227.db2.gz QULNLBGVQIYQER-UBHSHLNASA-N 1 0 289.335 1.681 20 5 CDBDRO CC[NH+]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000033316377 358227739 /nfs/dbraw/zinc/22/77/39/358227739.db2.gz BUIAMLUVBCIZLR-FPLPWBNLSA-N 1 0 289.335 1.772 20 5 CDBDRO Cc1sc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000193559277 358302776 /nfs/dbraw/zinc/30/27/76/358302776.db2.gz DHQXAQRLJUAYQN-VXNVDRBHSA-N 1 0 283.353 1.835 20 5 CDBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000193577628 358305514 /nfs/dbraw/zinc/30/55/14/358305514.db2.gz PCEQAXLTXMUKMX-BXKDBHETSA-N 1 0 263.297 1.209 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccccc1[N+](=O)[O-] ZINC000130347672 358308510 /nfs/dbraw/zinc/30/85/10/358308510.db2.gz FAQKMACFQJGSJL-JTQLQIEISA-N 1 0 265.313 1.842 20 5 CDBDRO CC1CC[NH+](CCSc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000567292247 358655943 /nfs/dbraw/zinc/65/59/43/358655943.db2.gz KSQDBUOVOYWEAD-UHFFFAOYSA-N 1 0 297.384 1.621 20 5 CDBDRO C[C@@H]1OCC[C@@]1(O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567486430 358687775 /nfs/dbraw/zinc/68/77/75/358687775.db2.gz JPRVGFHMFHOPTH-PSOPSSQASA-N 1 0 292.335 1.712 20 5 CDBDRO C[C@H]1SCC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1C ZINC000176248916 358750135 /nfs/dbraw/zinc/75/01/35/358750135.db2.gz HRJCDHVWERQQGB-NXEZZACHSA-N 1 0 270.358 1.617 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000185071794 358771760 /nfs/dbraw/zinc/77/17/60/358771760.db2.gz JXTXZHKBTWTJJF-ZLKJLUDKSA-N 1 0 289.335 1.713 20 5 CDBDRO O=[N+]([O-])c1c(NCC[NH+]2CCCC2)nc2ccccn21 ZINC000072883414 358741446 /nfs/dbraw/zinc/74/14/46/358741446.db2.gz XONYXNXQDWHENB-UHFFFAOYSA-N 1 0 275.312 1.750 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2COCCO2)C2CC2)cc1 ZINC000450651119 358975047 /nfs/dbraw/zinc/97/50/47/358975047.db2.gz RQQKQFFLWTWFEL-HNNXBMFYSA-N 1 0 292.335 1.975 20 5 CDBDRO Cc1ccc(C(=O)N[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000087383828 359032869 /nfs/dbraw/zinc/03/28/69/359032869.db2.gz LGWHVMALKTVHPK-LLVKDONJSA-N 1 0 263.297 1.370 20 5 CDBDRO CO[C@@H]1C[C@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000451851865 359087842 /nfs/dbraw/zinc/08/78/42/359087842.db2.gz NDQCDUJTMGALSM-NWDGAFQWSA-N 1 0 294.355 1.681 20 5 CDBDRO COC[C@](C)([NH3+])CNc1nc2sccn2c1[N+](=O)[O-] ZINC000265079078 359095416 /nfs/dbraw/zinc/09/54/16/359095416.db2.gz ZZCJFMYGLQFLIG-SNVBAGLBSA-N 1 0 285.329 1.080 20 5 CDBDRO Cc1ccccc1[C@H](CO)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000541983843 359099707 /nfs/dbraw/zinc/09/97/07/359099707.db2.gz SVUXGJCQUDSQBS-AWEZNQCLSA-N 1 0 290.323 1.423 20 5 CDBDRO C[C@H](C[S@](C)=O)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570175351 359289767 /nfs/dbraw/zinc/28/97/67/359289767.db2.gz IXCFWATWAGOZET-AZNYZMOJSA-N 1 0 282.365 1.939 20 5 CDBDRO Cc1c(C[N@@H+]2CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000050116730 359318078 /nfs/dbraw/zinc/31/80/78/359318078.db2.gz AGHKVHSDZDFEQZ-LBPRGKRZSA-N 1 0 250.298 1.860 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)C1CC1 ZINC000265102645 359267058 /nfs/dbraw/zinc/26/70/58/359267058.db2.gz TWBWTAANNRZKSL-CYBMUJFWSA-N 1 0 280.324 1.854 20 5 CDBDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015926 359275397 /nfs/dbraw/zinc/27/53/97/359275397.db2.gz QIAKHLVNQQATHA-CABZTGNLSA-N 1 0 265.313 1.584 20 5 CDBDRO CC[C@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000339037622 359277395 /nfs/dbraw/zinc/27/73/95/359277395.db2.gz NDFXUNQHVWRKDR-PWSUYJOCSA-N 1 0 280.328 1.247 20 5 CDBDRO CC[N@H+](C)CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000112925443 359365830 /nfs/dbraw/zinc/36/58/30/359365830.db2.gz WJULAMXDGSAWAB-UHFFFAOYSA-N 1 0 295.339 1.432 20 5 CDBDRO [NH3+]CC1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000420180673 283427841 /nfs/dbraw/zinc/42/78/41/283427841.db2.gz HCYITGNSTIFRHF-UHFFFAOYSA-N 1 0 287.323 1.713 20 5 CDBDRO C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)[NH+]1C ZINC000339618066 359416650 /nfs/dbraw/zinc/41/66/50/359416650.db2.gz ALDDRODAMPMEBU-STQMWFEESA-N 1 0 293.367 1.998 20 5 CDBDRO COC(=O)Cc1ccc(N(C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000297373143 200167501 /nfs/dbraw/zinc/16/75/01/200167501.db2.gz CXGFDQAZSSIWNT-UHFFFAOYSA-N 1 0 295.339 1.308 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000572137841 359911127 /nfs/dbraw/zinc/91/11/27/359911127.db2.gz HFEVBKQDYNQLKO-NEPJUHHUSA-N 1 0 276.340 1.816 20 5 CDBDRO CCOc1ccc(C(=O)N(C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000237079654 363707730 /nfs/dbraw/zinc/70/77/30/363707730.db2.gz MCAIVQPHDJNSFI-VIFPVBQESA-N 1 0 281.312 1.413 20 5 CDBDRO CC[C@@H](CO)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298109377 200335994 /nfs/dbraw/zinc/33/59/94/200335994.db2.gz JMIMJPXFVQNNOX-NSHDSACASA-N 1 0 295.339 1.626 20 5 CDBDRO C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000235324184 360028099 /nfs/dbraw/zinc/02/80/99/360028099.db2.gz GBIBZJRDSSVYIO-HTRCEHHLSA-N 1 0 255.299 1.076 20 5 CDBDRO C[C@@]1(C(=O)NCc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000062903216 360029644 /nfs/dbraw/zinc/02/96/44/360029644.db2.gz LVRDAMAVQMYSFX-CYBMUJFWSA-N 1 0 263.297 1.211 20 5 CDBDRO CC[NH2+]CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000054266038 360066518 /nfs/dbraw/zinc/06/65/18/360066518.db2.gz LACUFKCLEMAPIF-UHFFFAOYSA-N 1 0 252.274 1.326 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000235392381 360081661 /nfs/dbraw/zinc/08/16/61/360081661.db2.gz SDXYSFKQYTWBSB-MNOVXSKESA-N 1 0 277.324 1.774 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000147907897 360506208 /nfs/dbraw/zinc/50/62/08/360506208.db2.gz NFIZJEREZUBSFR-JTQLQIEISA-N 1 0 263.297 1.337 20 5 CDBDRO C[C@H](C[NH3+])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000054340235 360573322 /nfs/dbraw/zinc/57/33/22/360573322.db2.gz REMQPYZGIAGWAH-RKDXNWHRSA-N 1 0 251.286 1.367 20 5 CDBDRO C[C@]1(O)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000178022040 189086607 /nfs/dbraw/zinc/08/66/07/189086607.db2.gz WCSHIARCNDYWKD-AWEZNQCLSA-N 1 0 293.323 1.380 20 5 CDBDRO COCC[NH+]1CCC(Nc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000178185768 189096031 /nfs/dbraw/zinc/09/60/31/189096031.db2.gz WGIUWRPQBWSIAH-UHFFFAOYSA-N 1 0 294.355 1.821 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H]2CC[NH2+]C2)c1 ZINC000178941225 189155857 /nfs/dbraw/zinc/15/58/57/189155857.db2.gz IPUUOQPXJSIWSU-SNVBAGLBSA-N 1 0 293.323 1.333 20 5 CDBDRO C[NH+]1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000035099620 361241155 /nfs/dbraw/zinc/24/11/55/361241155.db2.gz VNHHIFGTXAGMJW-UHFFFAOYSA-N 1 0 281.341 1.810 20 5 CDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCCC[NH2+]C2CC2)c1 ZINC000036267346 361373206 /nfs/dbraw/zinc/37/32/06/361373206.db2.gz YMRCKRVTIPKPIQ-UHFFFAOYSA-N 1 0 299.352 1.015 20 5 CDBDRO C[NH2+]CCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000036283398 361414781 /nfs/dbraw/zinc/41/47/81/361414781.db2.gz SQVIEIMRCBBHTC-UHFFFAOYSA-N 1 0 252.274 1.326 20 5 CDBDRO Cc1noc(CN2C3CCC2(C[NH3+])CC3)c1[N+](=O)[O-] ZINC001579923204 1172301818 /nfs/dbraw/zinc/30/18/18/1172301818.db2.gz QRWOEUMGDDOQPY-UHFFFAOYSA-N 1 0 266.301 1.347 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000088147823 364259684 /nfs/dbraw/zinc/25/96/84/364259684.db2.gz QOYBGQGMNHLESG-SNVBAGLBSA-N 1 0 263.297 1.337 20 5 CDBDRO CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000290204533 364810978 /nfs/dbraw/zinc/81/09/78/364810978.db2.gz PIVVEKFEYKDDNF-OSMZGAPFSA-N 1 0 280.324 1.968 20 5 CDBDRO CCN(C)C(=O)[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000231851898 364981536 /nfs/dbraw/zinc/98/15/36/364981536.db2.gz IEPHLEQADHGRRP-LLVKDONJSA-N 1 0 279.340 1.594 20 5 CDBDRO COC(=O)C(C)(C)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000182237586 365075775 /nfs/dbraw/zinc/07/57/75/365075775.db2.gz WBQVPDGPQGREHO-UHFFFAOYSA-N 1 0 296.323 1.892 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3c4c(ccc3[N+](=O)[O-])NCC4)C[C@@H]21 ZINC000580282697 365447996 /nfs/dbraw/zinc/44/79/96/365447996.db2.gz OOEVKNLZKPJSSE-YGRLFVJLSA-N 1 0 288.351 1.703 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CC[NH3+] ZINC000414655772 241303744 /nfs/dbraw/zinc/30/37/44/241303744.db2.gz LZYSHZCOWFWKDT-QMMMGPOBSA-N 1 0 282.300 1.462 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293623055 299366118 /nfs/dbraw/zinc/36/61/18/299366118.db2.gz HDIXQUUFGOJFNM-JOYOIKCWSA-N 1 0 292.339 1.496 20 5 CDBDRO C[NH2+]C[C@@H](C)CNCc1ccc([N+](=O)[O-])cc1F ZINC000414837483 367128637 /nfs/dbraw/zinc/12/86/37/367128637.db2.gz KETKOPPNUPTIRD-SECBINFHSA-N 1 0 255.293 1.679 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000161144425 367297458 /nfs/dbraw/zinc/29/74/58/367297458.db2.gz JKFXPBWCENIVOP-WDEREUQCSA-N 1 0 293.323 1.360 20 5 CDBDRO [NH3+][C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000417213465 242361388 /nfs/dbraw/zinc/36/13/88/242361388.db2.gz CGJGLRTVFSJWOE-CYBMUJFWSA-N 1 0 292.339 1.174 20 5 CDBDRO Cc1sc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000272275458 367671777 /nfs/dbraw/zinc/67/17/77/367671777.db2.gz OAVSTIRTGWBPEZ-IONNQARKSA-N 1 0 283.353 1.774 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000272303243 367676240 /nfs/dbraw/zinc/67/62/40/367676240.db2.gz QVXPVGSIVGQQFB-UWVGGRQHSA-N 1 0 292.339 1.295 20 5 CDBDRO C[C@H](O)C[NH+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000275037614 367775201 /nfs/dbraw/zinc/77/52/01/367775201.db2.gz FLEMHRKUOJUGJE-STQMWFEESA-N 1 0 293.367 1.654 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000418473912 243122084 /nfs/dbraw/zinc/12/20/84/243122084.db2.gz PBUXPUORGHNXLQ-SNVBAGLBSA-N 1 0 294.355 1.724 20 5 CDBDRO CC(C)(NC(=O)NCC1C[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000418479749 243129215 /nfs/dbraw/zinc/12/92/15/243129215.db2.gz AYZBOVZSOKZSMA-UHFFFAOYSA-N 1 0 292.339 1.349 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H]2CCCN(C)C2=O)cc1[N+](=O)[O-] ZINC000330671064 203098979 /nfs/dbraw/zinc/09/89/79/203098979.db2.gz MLFKNJZARIVWOR-GFCCVEGCSA-N 1 0 277.324 1.614 20 5 CDBDRO NC(=O)c1cccc([N+](=O)[O-])c1NCC[N@H+]1CC=CCC1 ZINC000420607431 244278983 /nfs/dbraw/zinc/27/89/83/244278983.db2.gz BSNVPCCDJVHZCY-UHFFFAOYSA-N 1 0 290.323 1.368 20 5 CDBDRO CCc1nn(C)c(N(C)C[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000420636987 244303604 /nfs/dbraw/zinc/30/36/04/244303604.db2.gz OCGUXULFWPLNFD-SNVBAGLBSA-N 1 0 281.360 1.421 20 5 CDBDRO [NH3+]C1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CCC1 ZINC000295642084 370538634 /nfs/dbraw/zinc/53/86/34/370538634.db2.gz IEVBQPAAAFOWHD-UHFFFAOYSA-N 1 0 278.312 1.004 20 5 CDBDRO Cc1c(CC(=O)NCC[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000422799899 245269044 /nfs/dbraw/zinc/26/90/44/245269044.db2.gz AGYBWLJBGBKFHQ-LBPRGKRZSA-N 1 0 291.351 1.562 20 5 CDBDRO CC[N@H+](CC(=O)NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000179162791 372251033 /nfs/dbraw/zinc/25/10/33/372251033.db2.gz TWXQFTDJAWMOAW-UHFFFAOYSA-N 1 0 277.324 1.695 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NC[C@H]2CCC[NH2+]2)n1 ZINC000423235889 245686755 /nfs/dbraw/zinc/68/67/55/245686755.db2.gz NMKCDOGHAXGPAN-JHJVBQTASA-N 1 0 293.371 1.617 20 5 CDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1(C(N)=O)CC1 ZINC000191486865 373501271 /nfs/dbraw/zinc/50/12/71/373501271.db2.gz OFBDRKAGNNXWEF-SNVBAGLBSA-N 1 0 277.324 1.523 20 5 CDBDRO C[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000298383398 373516483 /nfs/dbraw/zinc/51/64/83/373516483.db2.gz ZQAPMWFZRWQTCD-JTQLQIEISA-N 1 0 281.312 1.040 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC([NH+](C)C)C1 ZINC000289603116 197417329 /nfs/dbraw/zinc/41/73/29/197417329.db2.gz AAVGFVAFEVLERE-UHFFFAOYSA-N 1 0 292.339 1.935 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000311457479 374254658 /nfs/dbraw/zinc/25/46/58/374254658.db2.gz KYDTYYKETLCVGL-JYESYGNLSA-N 1 0 263.297 1.462 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418230289 374259806 /nfs/dbraw/zinc/25/98/06/374259806.db2.gz JDTGDPKVNMTKLJ-ZJUUUORDSA-N 1 0 280.328 1.563 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC[NH+](C)C ZINC000421734369 374328254 /nfs/dbraw/zinc/32/82/54/374328254.db2.gz CQBKMRNPMQBBEY-UHFFFAOYSA-N 1 0 279.340 1.893 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000161614860 374354845 /nfs/dbraw/zinc/35/48/45/374354845.db2.gz IIVOHDHTFZOWET-ZJUUUORDSA-N 1 0 263.297 1.595 20 5 CDBDRO COc1ccc(CN[C@H](C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000422951046 374364591 /nfs/dbraw/zinc/36/45/91/374364591.db2.gz ZPHCXAKTGAFDKF-SECBINFHSA-N 1 0 265.313 1.301 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000423488971 374385441 /nfs/dbraw/zinc/38/54/41/374385441.db2.gz ZRRMJMLEINNDPW-LBPRGKRZSA-N 1 0 277.324 1.679 20 5 CDBDRO Nc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000375695966 374507320 /nfs/dbraw/zinc/50/73/20/374507320.db2.gz GFNRLSJQHRXLEE-NWDGAFQWSA-N 1 0 292.339 1.452 20 5 CDBDRO CNC(=O)[C@H](C)C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000081555682 374519504 /nfs/dbraw/zinc/51/95/04/374519504.db2.gz RNLVMKPTYFAYBJ-LLVKDONJSA-N 1 0 295.339 1.288 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000424023567 246296379 /nfs/dbraw/zinc/29/63/79/246296379.db2.gz WEZBDKRSQHYNKA-UHFFFAOYSA-N 1 0 281.312 1.285 20 5 CDBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000070148879 374650095 /nfs/dbraw/zinc/65/00/95/374650095.db2.gz NJSZBTYCJJRLPA-ZDUSSCGKSA-N 1 0 291.351 1.867 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H]1C[NH3+] ZINC000070176553 374655298 /nfs/dbraw/zinc/65/52/98/374655298.db2.gz YFKXXPTZYQIEIJ-CABZTGNLSA-N 1 0 280.328 1.133 20 5 CDBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000153953331 374671265 /nfs/dbraw/zinc/67/12/65/374671265.db2.gz RQBGGNGCDPQFTP-SNVBAGLBSA-N 1 0 295.343 1.026 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000447968988 374728018 /nfs/dbraw/zinc/72/80/18/374728018.db2.gz TYPHAWFYKGZQFZ-KBPBESRZSA-N 1 0 280.324 1.533 20 5 CDBDRO CC(C)=CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000277009098 374767112 /nfs/dbraw/zinc/76/71/12/374767112.db2.gz KZOFLGAGPNMRRB-UHFFFAOYSA-N 1 0 298.364 1.924 20 5 CDBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000330500946 374858573 /nfs/dbraw/zinc/85/85/73/374858573.db2.gz RZFSFHWCTNKCCG-UHFFFAOYSA-N 1 0 294.355 1.916 20 5 CDBDRO C[S@@](=O)C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000280698064 375014944 /nfs/dbraw/zinc/01/49/44/375014944.db2.gz SEQBIIZSCOWREH-LJQANCHMSA-N 1 0 282.365 1.986 20 5 CDBDRO COc1ccc(C[N@H+](C)C2CC(O)C2)cc1[N+](=O)[O-] ZINC000332427738 375030719 /nfs/dbraw/zinc/03/07/19/375030719.db2.gz GCVDYTULONJHAS-UHFFFAOYSA-N 1 0 266.297 1.559 20 5 CDBDRO CN1CC[C@H]([N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000282405273 375084116 /nfs/dbraw/zinc/08/41/16/375084116.db2.gz IDSFJUDSUNFQNQ-ZDUSSCGKSA-N 1 0 277.324 1.300 20 5 CDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCC[NH2+]C1 ZINC000493465975 375456174 /nfs/dbraw/zinc/45/61/74/375456174.db2.gz RLRUNHYEEWPJOT-RNZFLTOJSA-N 1 0 293.298 1.615 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H](CO)C2)cc1 ZINC000304293289 375427133 /nfs/dbraw/zinc/42/71/33/375427133.db2.gz MTTZULZUIBHYFL-LBPRGKRZSA-N 1 0 280.324 1.678 20 5 CDBDRO Cc1c(C[N@@H+]2[C@@H](CO)CC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000347306462 375496321 /nfs/dbraw/zinc/49/63/21/375496321.db2.gz IVZMTXMWONGOAI-BETUJISGSA-N 1 0 280.324 1.221 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000132780812 375590319 /nfs/dbraw/zinc/59/03/19/375590319.db2.gz IDAXKLCPSLMDRE-NSHDSACASA-N 1 0 293.323 1.184 20 5 CDBDRO C[C@@H]1C[C@H](C)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305230544 375576422 /nfs/dbraw/zinc/57/64/22/375576422.db2.gz RNCBSGLQYLOCIF-YRGRVCCFSA-N 1 0 296.371 1.520 20 5 CDBDRO [NH3+]CC1(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCCC1 ZINC000132726933 375580147 /nfs/dbraw/zinc/58/01/47/375580147.db2.gz AGOXXIOQOLJCAD-UHFFFAOYSA-N 1 0 281.287 1.735 20 5 CDBDRO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000132750766 375583596 /nfs/dbraw/zinc/58/35/96/375583596.db2.gz LPMMYAVARDKJCV-UFBFGSQYSA-N 1 0 281.287 1.543 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000058158446 375672637 /nfs/dbraw/zinc/67/26/37/375672637.db2.gz YYJKIUVBZAAPCG-LLVKDONJSA-N 1 0 275.308 1.561 20 5 CDBDRO [NH3+]CC[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(F)F ZINC000383452496 375708280 /nfs/dbraw/zinc/70/82/80/375708280.db2.gz HVZVQTFCRRNXHC-SECBINFHSA-N 1 0 287.266 1.236 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000307909553 375896583 /nfs/dbraw/zinc/89/65/83/375896583.db2.gz FVLDYLCICLMDQD-OQHXTRMZSA-N 1 0 289.335 1.865 20 5 CDBDRO CCC[N@H+](C)CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000195009048 375975428 /nfs/dbraw/zinc/97/54/28/375975428.db2.gz FJPSWQBLDVYNCQ-UHFFFAOYSA-N 1 0 279.340 1.895 20 5 CDBDRO C[NH2+][C@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000430619560 247669113 /nfs/dbraw/zinc/66/91/13/247669113.db2.gz GJRBDSIOJDHVOT-PWSUYJOCSA-N 1 0 292.339 1.216 20 5 CDBDRO COc1ccc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000487034751 376569887 /nfs/dbraw/zinc/56/98/87/376569887.db2.gz FJOYSEMZAVEERQ-MWLCHTKSSA-N 1 0 293.323 1.740 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000189307310 377228783 /nfs/dbraw/zinc/22/87/83/377228783.db2.gz RFSTZBHJZDSMNS-GWCFXTLKSA-N 1 0 277.324 1.394 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000189308885 377229432 /nfs/dbraw/zinc/22/94/32/377229432.db2.gz GRTMQLSPUCIEPD-CABZTGNLSA-N 1 0 263.297 1.465 20 5 CDBDRO C[NH+](C)CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000121908623 377815480 /nfs/dbraw/zinc/81/54/80/377815480.db2.gz IBXRLSUWNWFTDE-UHFFFAOYSA-N 1 0 283.303 1.344 20 5 CDBDRO C[C@@H](O)CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000438997903 249649495 /nfs/dbraw/zinc/64/94/95/249649495.db2.gz IKEVEWLAGFPWNZ-GFCCVEGCSA-N 1 0 279.340 1.488 20 5 CDBDRO C[N@H+](CCOCCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282438467 378039814 /nfs/dbraw/zinc/03/98/14/378039814.db2.gz HXBDWAXNJGXPKR-UHFFFAOYSA-N 1 0 272.276 1.175 20 5 CDBDRO C[C@@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000192078993 378174981 /nfs/dbraw/zinc/17/49/81/378174981.db2.gz NGDNBSLFSCBEHZ-ZJUUUORDSA-N 1 0 279.340 1.929 20 5 CDBDRO C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000173383381 378306789 /nfs/dbraw/zinc/30/67/89/378306789.db2.gz STJIMPVXQHVUOG-OLZOCXBDSA-N 1 0 293.367 1.966 20 5 CDBDRO COc1ccc(C[N@H+](C[C@H](C)O)[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000190865786 378992517 /nfs/dbraw/zinc/99/25/17/378992517.db2.gz PXINUFKIZOIJMZ-QWRGUYRKSA-N 1 0 298.339 1.167 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)[C@H]2CCCO2)cc1 ZINC000447913692 250446175 /nfs/dbraw/zinc/44/61/75/250446175.db2.gz JMHQOOHQVQHNQV-QWHCGFSZSA-N 1 0 266.297 1.224 20 5 CDBDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000449460698 250867302 /nfs/dbraw/zinc/86/73/02/250867302.db2.gz RQRLQOYAVFPUJA-TZMCWYRMSA-N 1 0 280.324 1.736 20 5 CDBDRO C[NH+](C)CCCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450208330 251174682 /nfs/dbraw/zinc/17/46/82/251174682.db2.gz LVSYBOWSEYQHOV-UHFFFAOYSA-N 1 0 274.324 1.929 20 5 CDBDRO CN(C)CC[N@H+](C)CCCNc1ncccc1[N+](=O)[O-] ZINC000289158463 197249440 /nfs/dbraw/zinc/24/94/40/197249440.db2.gz UFXGARHGUXGDFP-UHFFFAOYSA-N 1 0 281.360 1.285 20 5 CDBDRO CC(C)[C@@H](CO)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000451610355 251770891 /nfs/dbraw/zinc/77/08/91/251770891.db2.gz KGUAYCZTUDDIHD-KGLIPLIRSA-N 1 0 298.387 1.670 20 5 CDBDRO CCCNC(=[NH2+])NCCc1ccc([N+](=O)[O-])cc1 ZINC000052043337 184566929 /nfs/dbraw/zinc/56/69/29/184566929.db2.gz CEQGQIVNVNZGSH-UHFFFAOYSA-N 1 0 250.302 1.661 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000418080690 533034915 /nfs/dbraw/zinc/03/49/15/533034915.db2.gz MUKHEMUYAIRYBD-LBPRGKRZSA-N 1 0 292.339 1.407 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492083082 253152064 /nfs/dbraw/zinc/15/20/64/253152064.db2.gz GIYYFQKQMCPFAY-ALCCZGGFSA-N 1 0 295.314 1.767 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCOC1)CCO2 ZINC000352679840 285142706 /nfs/dbraw/zinc/14/27/06/285142706.db2.gz RWOKZWPKPSDZTL-NSHDSACASA-N 1 0 278.308 1.826 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@H+](C)CCOC ZINC000289033522 197218291 /nfs/dbraw/zinc/21/82/91/197218291.db2.gz YPSDLMGIVVNAJU-UHFFFAOYSA-N 1 0 285.348 1.110 20 5 CDBDRO COCC[C@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000281114914 285167305 /nfs/dbraw/zinc/16/73/05/285167305.db2.gz ADXTYJWDBVZDQN-ZYHUDNBSSA-N 1 0 268.313 1.643 20 5 CDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ncc([N+](=O)[O-])cc1F ZINC000413132596 413018686 /nfs/dbraw/zinc/01/86/86/413018686.db2.gz JAECYLIZMFJXMF-JTQLQIEISA-N 1 0 297.334 1.177 20 5 CDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000286025951 390188978 /nfs/dbraw/zinc/18/89/78/390188978.db2.gz ZUYSFYKBSJUFEV-MNOVXSKESA-N 1 0 293.323 1.887 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261583204 390484342 /nfs/dbraw/zinc/48/43/42/390484342.db2.gz HBWOENIBMYIHNQ-CMPLNLGQSA-N 1 0 262.313 1.486 20 5 CDBDRO CC1(C)[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@@H]2CCCO[C@H]21 ZINC000451474754 390625971 /nfs/dbraw/zinc/62/59/71/390625971.db2.gz BHUJDEPMFXNOAB-CYZMBNFOSA-N 1 0 294.355 1.585 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000540175328 390615331 /nfs/dbraw/zinc/61/53/31/390615331.db2.gz TYEWUOMSWGSKMI-WDEREUQCSA-N 1 0 277.324 1.785 20 5 CDBDRO C[C@H]1[NH2+]CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1C ZINC000436058435 391138542 /nfs/dbraw/zinc/13/85/42/391138542.db2.gz KXPQOYGMSMFRDT-NXEZZACHSA-N 1 0 267.304 1.916 20 5 CDBDRO COCC[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1F ZINC000413108738 391157963 /nfs/dbraw/zinc/15/79/63/391157963.db2.gz FIJHTPZAXSQDIH-UHFFFAOYSA-N 1 0 272.280 1.119 20 5 CDBDRO COCC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413127280 391162691 /nfs/dbraw/zinc/16/26/91/391162691.db2.gz ASLLPBWALHIUFL-SECBINFHSA-N 1 0 284.291 1.262 20 5 CDBDRO Nc1c(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc(F)cc1[N+](=O)[O-] ZINC000262579834 391282144 /nfs/dbraw/zinc/28/21/44/391282144.db2.gz LOYQFPXLKGHWPD-GMSGAONNSA-N 1 0 296.302 1.173 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C[N@@H+]1C1CC1 ZINC000177154648 533638205 /nfs/dbraw/zinc/63/82/05/533638205.db2.gz KWDGFXBPMGUIQY-RKDXNWHRSA-N 1 0 279.296 1.543 20 5 CDBDRO C[NH2+]CCN(C)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000415484477 391466379 /nfs/dbraw/zinc/46/63/79/391466379.db2.gz OLOPOSVUFVVRKG-UHFFFAOYSA-N 1 0 280.328 1.895 20 5 CDBDRO CN(CC[NH3+])C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415628463 391469561 /nfs/dbraw/zinc/46/95/61/391469561.db2.gz FPBMWTYATDOJGN-UHFFFAOYSA-N 1 0 256.237 1.156 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415627328 391469750 /nfs/dbraw/zinc/46/97/50/391469750.db2.gz BJACZUHGPQHWGU-PELKAZGASA-N 1 0 296.302 1.983 20 5 CDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415634615 391469997 /nfs/dbraw/zinc/46/99/97/391469997.db2.gz TUOVCFQJAWTKPR-URLYPYJESA-N 1 0 280.259 1.073 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415636543 391470517 /nfs/dbraw/zinc/47/05/17/391470517.db2.gz XSNREDGKOJOUPC-RDDDGLTNSA-N 1 0 282.275 1.687 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000567500267 391510786 /nfs/dbraw/zinc/51/07/86/391510786.db2.gz UDTYJGRAPISWIG-UHFFFAOYSA-N 1 0 280.328 1.366 20 5 CDBDRO COc1ccc(CNC[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000291693934 533665676 /nfs/dbraw/zinc/66/56/76/533665676.db2.gz JKLMWTHTIOYKLM-LLVKDONJSA-N 1 0 281.356 1.891 20 5 CDBDRO CCN(C)C(=O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294436463 391645800 /nfs/dbraw/zinc/64/58/00/391645800.db2.gz UYPPSONUVYVLBR-VIFPVBQESA-N 1 0 280.328 1.306 20 5 CDBDRO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C1CCOCC1 ZINC000341996635 130188578 /nfs/dbraw/zinc/18/85/78/130188578.db2.gz SQIIRKJVWUKWIA-SECBINFHSA-N 1 0 268.317 1.233 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000191993943 130344614 /nfs/dbraw/zinc/34/46/14/130344614.db2.gz DUVNZWWDBWFNIM-VHSXEESVSA-N 1 0 280.328 1.106 20 5 CDBDRO COC(=O)C1CCC([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000192445876 130449897 /nfs/dbraw/zinc/44/98/97/130449897.db2.gz HQYHVYYZRGTYLE-UHFFFAOYSA-N 1 0 296.327 1.113 20 5 CDBDRO C[C@H](O)CCC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000574204780 391873530 /nfs/dbraw/zinc/87/35/30/391873530.db2.gz MPNJQDYPOBALDA-NWDGAFQWSA-N 1 0 298.339 1.085 20 5 CDBDRO CC[C@@]1(O)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000495209151 391905728 /nfs/dbraw/zinc/90/57/28/391905728.db2.gz AFGXXYQTFPMXPV-CYBMUJFWSA-N 1 0 250.298 1.942 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](O)[C@H]1C ZINC000590761977 391922055 /nfs/dbraw/zinc/92/20/55/391922055.db2.gz QBXCJSAAYYPICU-BXKDBHETSA-N 1 0 266.297 1.559 20 5 CDBDRO COc1ccc(C[NH2+]C[C@H](O)C2CCC2)cc1[N+](=O)[O-] ZINC000316515568 391946070 /nfs/dbraw/zinc/94/60/70/391946070.db2.gz YMGUFOPAGOSIPR-ZDUSSCGKSA-N 1 0 280.324 1.854 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCOCCO)c1 ZINC000227333422 130841024 /nfs/dbraw/zinc/84/10/24/130841024.db2.gz OCIFGUXJUCQDEY-UHFFFAOYSA-N 1 0 254.286 1.083 20 5 CDBDRO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000237428544 131029858 /nfs/dbraw/zinc/02/98/58/131029858.db2.gz OGSYFCLPSJABMS-MNOVXSKESA-N 1 0 293.323 1.182 20 5 CDBDRO C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000237428827 131029882 /nfs/dbraw/zinc/02/98/82/131029882.db2.gz OVCVVFJZZNUYHH-MNOVXSKESA-N 1 0 293.323 1.182 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+]CC1 ZINC000237812334 131059509 /nfs/dbraw/zinc/05/95/09/131059509.db2.gz LKCTWTHVUWMNPS-UHFFFAOYSA-N 1 0 283.715 1.223 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000237926702 131066883 /nfs/dbraw/zinc/06/68/83/131066883.db2.gz KMSGEXHNUHUEEI-SNVBAGLBSA-N 1 0 290.323 1.342 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000261721618 131164404 /nfs/dbraw/zinc/16/44/04/131164404.db2.gz KIOXYUXUIMJERE-NRUUGDAUSA-N 1 0 277.324 1.711 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000261765086 131167676 /nfs/dbraw/zinc/16/76/76/131167676.db2.gz VIXRTOWGXIWZHB-JRPNMDOOSA-N 1 0 291.351 1.640 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000261972298 131180192 /nfs/dbraw/zinc/18/01/92/131180192.db2.gz DRJWGYZKJLLESE-ZJUUUORDSA-N 1 0 292.339 1.376 20 5 CDBDRO CCCN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CC[NH2+]C1 ZINC000261993875 131181902 /nfs/dbraw/zinc/18/19/02/131181902.db2.gz NEBAYXVSOXNSRH-LLVKDONJSA-N 1 0 292.339 1.391 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H]1C ZINC000262885606 131270980 /nfs/dbraw/zinc/27/09/80/131270980.db2.gz WJVXISCQAIQIBX-BDAKNGLRSA-N 1 0 281.287 1.556 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)nc1 ZINC000263676158 131307012 /nfs/dbraw/zinc/30/70/12/131307012.db2.gz HGXKKQIWYJSYGP-LBPRGKRZSA-N 1 0 292.339 1.148 20 5 CDBDRO CN(CC[NH+]1CCCC1)c1nc2sccn2c1[N+](=O)[O-] ZINC000301170615 392528982 /nfs/dbraw/zinc/52/89/82/392528982.db2.gz DZVHTKAQRMRHMA-UHFFFAOYSA-N 1 0 295.368 1.836 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC3(CCC3)C2)c1 ZINC000123239116 392759944 /nfs/dbraw/zinc/75/99/44/392759944.db2.gz OEGVDGNBWZOJTL-LBPRGKRZSA-N 1 0 280.328 1.028 20 5 CDBDRO C[NH2+]C[C@H](C)CNc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000420185136 392901555 /nfs/dbraw/zinc/90/15/55/392901555.db2.gz BJPXJHKCHZNMNO-JTQLQIEISA-N 1 0 295.339 1.578 20 5 CDBDRO CC(=O)N[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000420985343 392924015 /nfs/dbraw/zinc/92/40/15/392924015.db2.gz KQGAQAPLUULTNV-LBPRGKRZSA-N 1 0 293.323 1.184 20 5 CDBDRO CON1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000421395425 392935160 /nfs/dbraw/zinc/93/51/60/392935160.db2.gz IMHCNLVEQNFDQR-UHFFFAOYSA-N 1 0 283.303 1.849 20 5 CDBDRO [NH3+]CC1(CC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000423058044 392958829 /nfs/dbraw/zinc/95/88/29/392958829.db2.gz IOWUZPBSILYRPA-UHFFFAOYSA-N 1 0 277.324 1.383 20 5 CDBDRO Cc1c(CC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000423585351 392963681 /nfs/dbraw/zinc/96/36/81/392963681.db2.gz BBDYOEFCZOPNJL-GWCFXTLKSA-N 1 0 291.351 1.560 20 5 CDBDRO C[C@H]1CC[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000429587340 393083180 /nfs/dbraw/zinc/08/31/80/393083180.db2.gz FRVACHFIVNPEKH-QWRGUYRKSA-N 1 0 252.318 1.912 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000430213206 393093414 /nfs/dbraw/zinc/09/34/14/393093414.db2.gz SAWZWQVWGBBDAS-GWCFXTLKSA-N 1 0 280.324 1.806 20 5 CDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH3+])C1 ZINC000430935469 393105574 /nfs/dbraw/zinc/10/55/74/393105574.db2.gz UDGYHMFMJVPKTA-GHMZBOCLSA-N 1 0 292.339 1.202 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCN1CCO[C@H](C)C1 ZINC000530474961 393051588 /nfs/dbraw/zinc/05/15/88/393051588.db2.gz FYHKOIISQURQPY-SNVBAGLBSA-N 1 0 297.359 1.252 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430949911 393107983 /nfs/dbraw/zinc/10/79/83/393107983.db2.gz FJJMYXKZALSTDL-LBPRGKRZSA-N 1 0 279.340 1.515 20 5 CDBDRO COc1cc(C(=O)N[C@H](C)[C@@H](C)[NH3+])cc([N+](=O)[O-])c1OC ZINC000449595105 393135309 /nfs/dbraw/zinc/13/53/09/393135309.db2.gz ZUJNTIBGOYGLHT-HTQZYQBOSA-N 1 0 297.311 1.078 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000493903827 393224630 /nfs/dbraw/zinc/22/46/30/393224630.db2.gz BCIHCVOHFOYUDE-NXEZZACHSA-N 1 0 277.324 1.463 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCn3ccnc3C2)cc1 ZINC000494414613 393231851 /nfs/dbraw/zinc/23/18/51/393231851.db2.gz WNUMKVSUIQBJQK-GFCCVEGCSA-N 1 0 272.308 1.896 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCCO)n1 ZINC000494481231 393233357 /nfs/dbraw/zinc/23/33/57/393233357.db2.gz FCDHITKDBJEZHM-NWDGAFQWSA-N 1 0 282.344 1.637 20 5 CDBDRO C[C@@H]([NH3+])CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493631373 393215898 /nfs/dbraw/zinc/21/58/98/393215898.db2.gz UCMIWNFCJYVROH-AZVKUDOFSA-N 1 0 281.287 1.601 20 5 CDBDRO COCC[NH2+]CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000216060930 140162355 /nfs/dbraw/zinc/16/23/55/140162355.db2.gz ZJAOFNRBANNZOU-UHFFFAOYSA-N 1 0 290.323 1.791 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1 ZINC000228104618 140190550 /nfs/dbraw/zinc/19/05/50/140190550.db2.gz IOVDLJGESYNUFQ-NWANDNLSSA-N 1 0 276.336 1.840 20 5 CDBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000231469028 140216092 /nfs/dbraw/zinc/21/60/92/140216092.db2.gz QCYMGJMHKHQEHI-GFCCVEGCSA-N 1 0 295.314 1.948 20 5 CDBDRO C[C@H]1[C@H]([NH3+])CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261589415 140357780 /nfs/dbraw/zinc/35/77/80/140357780.db2.gz KQWMOJDRMIHNHC-JOYOIKCWSA-N 1 0 263.297 1.085 20 5 CDBDRO O=[N+]([O-])c1cccc(CN2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261645392 140368687 /nfs/dbraw/zinc/36/86/87/140368687.db2.gz XLIFMEIBVVVNET-CQSZACIVSA-N 1 0 261.325 1.780 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261707774 140378724 /nfs/dbraw/zinc/37/87/24/140378724.db2.gz OYDYZTNRPXDQMA-YPMHNXCESA-N 1 0 291.351 1.645 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261743417 140383987 /nfs/dbraw/zinc/38/39/87/140383987.db2.gz SJXZGGNRHZQNBB-WDEREUQCSA-N 1 0 290.323 1.668 20 5 CDBDRO COc1cc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000261800499 140390426 /nfs/dbraw/zinc/39/04/26/140390426.db2.gz RHARUHHBPSRILJ-ZYHUDNBSSA-N 1 0 277.324 1.792 20 5 CDBDRO CC(C)[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000423225120 397602993 /nfs/dbraw/zinc/60/29/93/397602993.db2.gz LHLUJHLVIXZJJW-SMDDNHRTSA-N 1 0 293.367 1.873 20 5 CDBDRO COc1cc(C[N@H+](CCO)CC2CC2)c([N+](=O)[O-])cc1F ZINC000352490758 155223245 /nfs/dbraw/zinc/22/32/45/155223245.db2.gz KXYOABHVOXALQH-UHFFFAOYSA-N 1 0 298.314 1.947 20 5 CDBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCC[C@H]1O ZINC000352659474 155331038 /nfs/dbraw/zinc/33/10/38/155331038.db2.gz JTPPKHMUGCLQKJ-QWHCGFSZSA-N 1 0 250.298 1.940 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000261631274 292282843 /nfs/dbraw/zinc/28/28/43/292282843.db2.gz WAJPKIPGGMUFIW-ONGXEEELSA-N 1 0 263.297 1.465 20 5 CDBDRO C[C@H]1[NH2+]CCN(Cc2csc([N+](=O)[O-])c2)[C@H]1C ZINC000346633514 153250754 /nfs/dbraw/zinc/25/07/54/153250754.db2.gz FCQIEWMEQBMYMW-BDAKNGLRSA-N 1 0 255.343 1.839 20 5 CDBDRO C[C@H]1[NH2+]CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1C ZINC000346678719 153268931 /nfs/dbraw/zinc/26/89/31/153268931.db2.gz LTDAPQWSQIXHIB-NXEZZACHSA-N 1 0 267.304 1.916 20 5 CDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@@H+]1CCCC[C@@H]1C ZINC000349873010 154250541 /nfs/dbraw/zinc/25/05/41/154250541.db2.gz JJMVFXDBFGZNAS-UWVGGRQHSA-N 1 0 295.343 1.311 20 5 CDBDRO CN(CC(N)=O)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000349880156 154254255 /nfs/dbraw/zinc/25/42/55/154254255.db2.gz ZYTBHZQKPMVOLT-UHFFFAOYSA-N 1 0 289.291 1.772 20 5 CDBDRO CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)[NH+](C)C ZINC000356140813 157371131 /nfs/dbraw/zinc/37/11/31/157371131.db2.gz GZSIJKSOFPPHPO-JTQLQIEISA-N 1 0 297.359 1.034 20 5 CDBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000357090534 157654962 /nfs/dbraw/zinc/65/49/62/157654962.db2.gz RCQKPDKDNZIMDC-UHFFFAOYSA-N 1 0 298.730 1.090 20 5 CDBDRO O=[N+]([O-])c1cccc(OCCN2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357099745 157658634 /nfs/dbraw/zinc/65/86/34/157658634.db2.gz DDDQZKUGNPUHOA-STQMWFEESA-N 1 0 291.351 1.515 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000363097782 159295615 /nfs/dbraw/zinc/29/56/15/159295615.db2.gz KECKGDFHAVPLBS-GXTWGEPZSA-N 1 0 289.335 1.951 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CC3(C2)CCCC3)c1 ZINC000372494439 160125839 /nfs/dbraw/zinc/12/58/39/160125839.db2.gz JLMBSGBDMGABFV-LBPRGKRZSA-N 1 0 280.328 1.028 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373061234 160169718 /nfs/dbraw/zinc/16/97/18/160169718.db2.gz YXDTZAOFGMGXMA-RISCZKNCSA-N 1 0 289.335 1.727 20 5 CDBDRO CC(C)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000020448596 171207701 /nfs/dbraw/zinc/20/77/01/171207701.db2.gz ZVZQVHCYRITQAE-UHFFFAOYSA-N 1 0 281.312 1.790 20 5 CDBDRO COc1ccc(-c2nc(CC[NH3+])no2)cc1[N+](=O)[O-] ZINC000041201769 174509956 /nfs/dbraw/zinc/50/99/56/174509956.db2.gz ABZAUNDGZXUEJC-UHFFFAOYSA-N 1 0 264.241 1.155 20 5 CDBDRO O=C(NC[C@H]1CCCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000044492376 175180940 /nfs/dbraw/zinc/18/09/40/175180940.db2.gz GCVBVUAWCANTKW-LLVKDONJSA-N 1 0 278.312 1.858 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000044501680 175185837 /nfs/dbraw/zinc/18/58/37/175185837.db2.gz KEUFBRXRFVUQMX-LLVKDONJSA-N 1 0 277.324 1.633 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000071143903 176041107 /nfs/dbraw/zinc/04/11/07/176041107.db2.gz OGVNKBKDVVIFNX-MRVPVSSYSA-N 1 0 269.326 1.338 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000163716896 292583851 /nfs/dbraw/zinc/58/38/51/292583851.db2.gz ZHRPKFQHOKDGMF-JQWIXIFHSA-N 1 0 291.351 1.960 20 5 CDBDRO CN(C(=O)/C=C\c1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000214660023 260044043 /nfs/dbraw/zinc/04/40/43/260044043.db2.gz NXDCILLTBOLIBV-SZZPACECSA-N 1 0 275.308 1.428 20 5 CDBDRO [NH3+]C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000517930830 260322927 /nfs/dbraw/zinc/32/29/27/260322927.db2.gz MMDQZPJASVYDGK-JTQLQIEISA-N 1 0 264.260 1.673 20 5 CDBDRO Cc1cc(C(=O)NC(C)(C)CC[NH3+])cc([N+](=O)[O-])c1 ZINC000397174713 270347077 /nfs/dbraw/zinc/34/70/77/270347077.db2.gz GBNSETXHYBYKLC-UHFFFAOYSA-N 1 0 265.313 1.760 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC1([NH+](C)C)CC1 ZINC000397921563 270352752 /nfs/dbraw/zinc/35/27/52/270352752.db2.gz LLVYIVRBTVQRMT-UHFFFAOYSA-N 1 0 267.333 1.626 20 5 CDBDRO C[C@H](NC(=O)[C@@H]([NH3+])C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000399016703 270366875 /nfs/dbraw/zinc/36/68/75/270366875.db2.gz GFRZPZPMIIVNRR-ZANVPECISA-N 1 0 277.324 1.899 20 5 CDBDRO C[NH2+][C@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000133101630 273974978 /nfs/dbraw/zinc/97/49/78/273974978.db2.gz KJQFREKQCISUJS-JTQLQIEISA-N 1 0 272.308 1.941 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000338721976 274118427 /nfs/dbraw/zinc/11/84/27/274118427.db2.gz BROMGEMZXRQXOJ-ZIAGYGMSSA-N 1 0 293.323 1.123 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000408067744 274368980 /nfs/dbraw/zinc/36/89/80/274368980.db2.gz NXXYQKOQBCFNTJ-RKDXNWHRSA-N 1 0 295.368 1.833 20 5 CDBDRO Cc1nc(N2CCC[C@H]([NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000450262276 274840985 /nfs/dbraw/zinc/84/09/85/274840985.db2.gz RVLTUTCEYMXBHK-LBPRGKRZSA-N 1 0 291.355 1.758 20 5 CDBDRO CC(C)C[C@H](CNc1ncc([N+](=O)[O-])cn1)[NH+](C)C ZINC000273584741 275596969 /nfs/dbraw/zinc/59/69/69/275596969.db2.gz GHCKEDSBQFCDOI-SNVBAGLBSA-N 1 0 267.333 1.773 20 5 CDBDRO C[N@@H+]1CCO[C@@H]2CN(c3c(F)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000357625381 277124434 /nfs/dbraw/zinc/12/44/34/277124434.db2.gz VXZBVRCRLDQYOL-NWDGAFQWSA-N 1 0 281.287 1.253 20 5 CDBDRO CNC(=O)[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449202865 277240735 /nfs/dbraw/zinc/24/07/35/277240735.db2.gz KOIJVWYMZKCQLF-FZMZJTMJSA-N 1 0 293.367 1.886 20 5 CDBDRO CNC(=O)[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000049238490 277251817 /nfs/dbraw/zinc/25/18/17/277251817.db2.gz IVHXMMSJHZDYQR-CYBMUJFWSA-N 1 0 277.324 1.348 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1C[NH3+] ZINC000123445497 277431959 /nfs/dbraw/zinc/43/19/59/277431959.db2.gz AZRKGQJPUHSECF-GFCCVEGCSA-N 1 0 265.313 1.527 20 5 CDBDRO COC[C@@H](O)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000153740050 277572031 /nfs/dbraw/zinc/57/20/31/277572031.db2.gz CELVQQPGRLASOC-NSHDSACASA-N 1 0 254.286 1.082 20 5 CDBDRO CO[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000167197742 277742422 /nfs/dbraw/zinc/74/24/22/277742422.db2.gz WZLPETQLPVHQIY-OLZOCXBDSA-N 1 0 293.323 1.173 20 5 CDBDRO C[C@@H](C[NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000262584473 278243232 /nfs/dbraw/zinc/24/32/32/278243232.db2.gz VBLMXRHRGGUUJY-VIFPVBQESA-N 1 0 263.297 1.074 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000127328158 278314396 /nfs/dbraw/zinc/31/43/96/278314396.db2.gz FTJZGHIGENPZCV-HTQZYQBOSA-N 1 0 270.720 1.817 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@H](C[NH3+])C1 ZINC000261648943 278542749 /nfs/dbraw/zinc/54/27/49/278542749.db2.gz BFJCEHMVFJLMIF-ZJUUUORDSA-N 1 0 292.339 1.376 20 5 CDBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH3+] ZINC000261549460 279890710 /nfs/dbraw/zinc/89/07/10/279890710.db2.gz JDAACUJVXXXENG-OIBJUYFYSA-N 1 0 270.720 1.817 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000211351924 280085247 /nfs/dbraw/zinc/08/52/47/280085247.db2.gz QPBXYPNXBYFSNM-QDDUCLRZSA-N 1 0 289.335 1.804 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000238086091 280198336 /nfs/dbraw/zinc/19/83/36/280198336.db2.gz NKOUZLCQIYSLJD-FVOPLDGLSA-N 1 0 293.298 1.601 20 5 CDBDRO Cc1c(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000186807853 280219713 /nfs/dbraw/zinc/21/97/13/280219713.db2.gz SODYGDUDGVHLMY-SKDRFNHKSA-N 1 0 277.324 1.631 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261573991 280360343 /nfs/dbraw/zinc/36/03/43/280360343.db2.gz AXVRLTQUTLNDPL-GXSJLCMTSA-N 1 0 265.288 1.922 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/CNC1[C@H]2C[NH2+]C[C@@H]12 ZINC000415045662 280739600 /nfs/dbraw/zinc/73/96/00/280739600.db2.gz WMKRCZVEHOCRDN-FCCXGIRUSA-N 1 0 259.309 1.415 20 5 CDBDRO Cc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000312107985 289426829 /nfs/dbraw/zinc/42/68/29/289426829.db2.gz KZMTUNXTHSRXMJ-VXGBXAGGSA-N 1 0 261.325 1.949 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000562976312 293231068 /nfs/dbraw/zinc/23/10/68/293231068.db2.gz UEKRDYDXFKDHQV-SNVBAGLBSA-N 1 0 293.323 1.427 20 5 CDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCn2cccc([N+](=O)[O-])c2=O)C1 ZINC000565243352 293576790 /nfs/dbraw/zinc/57/67/90/293576790.db2.gz XRALBDZSRBMTAW-VXGBXAGGSA-N 1 0 279.340 1.734 20 5 CDBDRO CC[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])OC ZINC000567709244 293847971 /nfs/dbraw/zinc/84/79/71/293847971.db2.gz OHBSJHNZUZSCLR-NWDGAFQWSA-N 1 0 298.339 1.349 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)CC[NH3+])c1 ZINC000568620272 294068436 /nfs/dbraw/zinc/06/84/36/294068436.db2.gz FCEWCTNCTBIZCD-UHFFFAOYSA-N 1 0 295.339 1.851 20 5 CDBDRO CC[C@H](O)CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000571209312 294389927 /nfs/dbraw/zinc/38/99/27/294389927.db2.gz QWPIDAJWSITUGQ-STQMWFEESA-N 1 0 298.339 1.085 20 5 CDBDRO CC(C)[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000572118111 294560338 /nfs/dbraw/zinc/56/03/38/294560338.db2.gz VHTYXBPOICCVMH-UHFFFAOYSA-N 1 0 271.342 1.774 20 5 CDBDRO CO[C@H](C)[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572476910 294628725 /nfs/dbraw/zinc/62/87/25/294628725.db2.gz RIQZVZDPKFEEPM-UTUOFQBUSA-N 1 0 298.339 1.348 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000574739681 295045806 /nfs/dbraw/zinc/04/58/06/295045806.db2.gz YJMRCQQOLPRESQ-LLVKDONJSA-N 1 0 264.329 1.829 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000237992056 295253795 /nfs/dbraw/zinc/25/37/95/295253795.db2.gz XUCVIXAHKHVNJE-QWRGUYRKSA-N 1 0 292.339 1.250 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135429466 297249877 /nfs/dbraw/zinc/24/98/77/297249877.db2.gz WKMSGJNXKOSJEQ-BDAKNGLRSA-N 1 0 281.287 1.543 20 5 CDBDRO C[C@@H](C(=O)NCCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000184736274 323371417 /nfs/dbraw/zinc/37/14/17/323371417.db2.gz RPIPOXDEEHLZAZ-SNVBAGLBSA-N 1 0 297.330 1.905 20 5 CDBDRO CNc1ccc(C(=O)NC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000580953140 324607997 /nfs/dbraw/zinc/60/79/97/324607997.db2.gz WHVBUIJTKKGEKZ-UHFFFAOYSA-N 1 0 292.339 1.508 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NCC1=CC[NH2+]CC1 ZINC000583132802 325112011 /nfs/dbraw/zinc/11/20/11/325112011.db2.gz INOVKPQYTNCKMG-UHFFFAOYSA-N 1 0 290.323 1.314 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC([C@@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000583312869 325149430 /nfs/dbraw/zinc/14/94/30/325149430.db2.gz UPCXXVLLMKWIDF-LLVKDONJSA-N 1 0 294.330 1.955 20 5 CDBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1nccnc1[N+](=O)[O-] ZINC001167624023 1159166285 /nfs/dbraw/zinc/16/62/85/1159166285.db2.gz HZSMLEBPCNRSAB-UHFFFAOYSA-N 1 0 279.344 1.870 20 5 CDBDRO [NH3+]CCCCCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000698119851 1160929902 /nfs/dbraw/zinc/92/99/02/1160929902.db2.gz NSFBXLFWRXIUGO-UHFFFAOYSA-N 1 0 283.303 1.983 20 5 CDBDRO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H](C)[NH2+]1 ZINC000153476730 534305944 /nfs/dbraw/zinc/30/59/44/534305944.db2.gz ZTMAYDMOZSHUNL-GHMZBOCLSA-N 1 0 293.323 1.182 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC(C)(C)[NH3+] ZINC000405871998 1186580477 /nfs/dbraw/zinc/58/04/77/1186580477.db2.gz CNYUMZMMVNWARB-UHFFFAOYSA-N 1 0 265.313 1.760 20 5 CDBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000340618985 519674313 /nfs/dbraw/zinc/67/43/13/519674313.db2.gz DJMXJWLNKIHNTI-UHFFFAOYSA-N 1 0 280.328 1.479 20 5 CDBDRO CC[N@@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)C[C@H]1C ZINC000354355173 521720439 /nfs/dbraw/zinc/72/04/39/521720439.db2.gz XQCMOHCBFCILPS-ZJUUUORDSA-N 1 0 294.359 1.106 20 5 CDBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000336942782 522100619 /nfs/dbraw/zinc/10/06/19/522100619.db2.gz ZOAWOMACKMJIFJ-YUMQZZPRSA-N 1 0 256.331 1.946 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1OC[C@H]1CCC[NH2+]C1 ZINC000050505295 522983751 /nfs/dbraw/zinc/98/37/51/522983751.db2.gz CRBYKYUJVNYSPM-JTQLQIEISA-N 1 0 266.297 1.982 20 5 CDBDRO CO[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000363673678 523596474 /nfs/dbraw/zinc/59/64/74/523596474.db2.gz LMGGXQVSCVIHLT-CYBMUJFWSA-N 1 0 295.339 1.257 20 5 CDBDRO COc1ccc(C[NH2+][C@@H](C)Cn2ccnc2)cc1[N+](=O)[O-] ZINC000049235664 524074395 /nfs/dbraw/zinc/07/43/95/524074395.db2.gz WMIUMJVHOYYTSI-NSHDSACASA-N 1 0 290.323 1.978 20 5 CDBDRO CCC[NH+]1C[C@@H]2CN(c3cc([N+](=O)[O-])ccn3)C[C@H]2C1 ZINC001157689390 1162284072 /nfs/dbraw/zinc/28/40/72/1162284072.db2.gz MZURCRYMXQDSAY-VXGBXAGGSA-N 1 0 276.340 1.768 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000161570974 524591337 /nfs/dbraw/zinc/59/13/37/524591337.db2.gz RPWFJHVAWONMFG-VIFPVBQESA-N 1 0 251.286 1.257 20 5 CDBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000050162587 525136434 /nfs/dbraw/zinc/13/64/34/525136434.db2.gz VOJWTCUKGODAEZ-DGCLKSJQSA-N 1 0 291.351 1.642 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000235429805 525425191 /nfs/dbraw/zinc/42/51/91/525425191.db2.gz YGCSGHJSPRKISJ-ZYHUDNBSSA-N 1 0 277.324 1.394 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[NH2+]C2)c1 ZINC000155923607 525452363 /nfs/dbraw/zinc/45/23/63/525452363.db2.gz ZUSLSAYPUSKXGH-SECBINFHSA-N 1 0 251.286 1.767 20 5 CDBDRO Cc1ccn(CC[C@H]2CCCC[N@H+]2C)c(=O)c1[N+](=O)[O-] ZINC000340696813 525600889 /nfs/dbraw/zinc/60/08/89/525600889.db2.gz WLMFVCMEFWAZMZ-GFCCVEGCSA-N 1 0 279.340 1.939 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CCC(=O)NC1)c1cccc([N+](=O)[O-])c1 ZINC000111018642 525631060 /nfs/dbraw/zinc/63/10/60/525631060.db2.gz YLLWRHGGGAGMOS-MWLCHTKSSA-N 1 0 263.297 1.524 20 5 CDBDRO Cc1sc(C(=O)N2C[C@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000185099757 526872147 /nfs/dbraw/zinc/87/21/47/526872147.db2.gz YLPWPIPJPAOOSJ-BBBLOLIVSA-N 1 0 295.364 1.774 20 5 CDBDRO [NH3+]C1(C(=O)NCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000052943225 527127293 /nfs/dbraw/zinc/12/72/93/527127293.db2.gz HXJXCIHXQBWBRK-UHFFFAOYSA-N 1 0 263.297 1.483 20 5 CDBDRO Nc1c(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000159248266 527424574 /nfs/dbraw/zinc/42/45/74/527424574.db2.gz QXNQIVPCRGPGIJ-CQSZACIVSA-N 1 0 290.323 1.003 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000291790309 528827448 /nfs/dbraw/zinc/82/74/48/528827448.db2.gz GIJGPOIBGUYVFU-SNVBAGLBSA-N 1 0 294.355 1.636 20 5 CDBDRO CN(C(=O)c1csc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000231490408 536070183 /nfs/dbraw/zinc/07/01/83/536070183.db2.gz YBVZVTVUJBBYHC-JTQLQIEISA-N 1 0 283.353 1.870 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261736882 536143869 /nfs/dbraw/zinc/14/38/69/536143869.db2.gz LRYKMPAZFYXWLE-QWRGUYRKSA-N 1 0 279.344 1.308 20 5 CDBDRO CCc1nn(C)c(NCC[N@@H+](CC)C2CC2)c1[N+](=O)[O-] ZINC000220003363 536181518 /nfs/dbraw/zinc/18/15/18/536181518.db2.gz CBJAPIZKLNFHHA-UHFFFAOYSA-N 1 0 281.360 1.787 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000429975029 536952001 /nfs/dbraw/zinc/95/20/01/536952001.db2.gz NMFLUIUULCGCBX-LLVKDONJSA-N 1 0 293.323 1.362 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422720758 536956003 /nfs/dbraw/zinc/95/60/03/536956003.db2.gz TVZIQCNFHKDXIR-GXFFZTMASA-N 1 0 279.340 1.834 20 5 CDBDRO CCCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000105874307 1174708260 /nfs/dbraw/zinc/70/82/60/1174708260.db2.gz UPDIOMXNZFWKPX-ZWNOBZJWSA-N 1 0 295.339 1.133 20 5 CDBDRO NC(=O)C1([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000750104282 576975962 /nfs/dbraw/zinc/97/59/62/576975962.db2.gz FRRRZVRECASPFP-LBPRGKRZSA-N 1 0 293.323 1.016 20 5 CDBDRO C[N@@H+]1CC[C@@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756997980 577019652 /nfs/dbraw/zinc/01/96/52/577019652.db2.gz JEGGTMZFATWEIX-SECBINFHSA-N 1 0 297.742 1.816 20 5 CDBDRO CCOCC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893328052 617580921 /nfs/dbraw/zinc/58/09/21/617580921.db2.gz SFSGLTNDDHVTQS-UHFFFAOYSA-N 1 0 270.285 1.435 20 5 CDBDRO COc1cc(Cc2noc(CCC[NH3+])n2)ccc1[N+](=O)[O-] ZINC000843192940 617694208 /nfs/dbraw/zinc/69/42/08/617694208.db2.gz ZXFZPFMWYQKCDJ-UHFFFAOYSA-N 1 0 292.295 1.469 20 5 CDBDRO COc1c(O)ccc(C[NH2+]C[C@H](C)OC)c1[N+](=O)[O-] ZINC000893911538 618168839 /nfs/dbraw/zinc/16/88/39/618168839.db2.gz QQPMQDWZQQHRMM-QMMMGPOBSA-N 1 0 270.285 1.434 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C[C@H](O)C[NH3+] ZINC000420362089 618755713 /nfs/dbraw/zinc/75/57/13/618755713.db2.gz YWZRNKUXVNYNSC-ZYHUDNBSSA-N 1 0 267.329 1.216 20 5 CDBDRO CN1CC[C@@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000928573226 619423891 /nfs/dbraw/zinc/42/38/91/619423891.db2.gz NLTPLTCINVYKDT-SECBINFHSA-N 1 0 283.715 1.682 20 5 CDBDRO Cc1nc(N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000895245962 619492350 /nfs/dbraw/zinc/49/23/50/619492350.db2.gz KSAMRHORHAZNOH-AAEUAGOBSA-N 1 0 293.371 1.344 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2C(=O)NCC2(C)C)cc1[N+](=O)[O-] ZINC000895317838 619550100 /nfs/dbraw/zinc/55/01/00/619550100.db2.gz ZAYUUTDAPTXYRF-GFCCVEGCSA-N 1 0 293.323 1.218 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCON ZINC000904457605 626301614 /nfs/dbraw/zinc/30/16/14/626301614.db2.gz QRXWZSTZWBMWRQ-UHFFFAOYSA-N 1 0 269.301 1.364 20 5 CDBDRO CC(=O)N1CC[C@H]([NH2+]CC[N+](=O)[O-])c2ccccc21 ZINC000905186381 626666759 /nfs/dbraw/zinc/66/67/59/626666759.db2.gz AKHXDAUOAADBML-LBPRGKRZSA-N 1 0 263.297 1.351 20 5 CDBDRO CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905194263 626670699 /nfs/dbraw/zinc/67/06/99/626670699.db2.gz ISSVDZNVJGXRDR-JOYOIKCWSA-N 1 0 256.277 1.768 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCO[C@H](c2ccncc2)C1 ZINC000905278525 626733299 /nfs/dbraw/zinc/73/32/99/626733299.db2.gz IFGQNFUNOBWESW-RYUDHWBXSA-N 1 0 251.286 1.168 20 5 CDBDRO [NH3+]C[C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000149411451 627723883 /nfs/dbraw/zinc/72/38/83/627723883.db2.gz IHEOZDBCGUVJFG-SSDOTTSWSA-N 1 0 256.693 1.428 20 5 CDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000915625614 631779552 /nfs/dbraw/zinc/77/95/52/631779552.db2.gz VNVDDKOERRQXFW-SECBINFHSA-N 1 0 285.369 1.972 20 5 CDBDRO C[N@@H+]1CCC[C@H]1Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000917483250 632221995 /nfs/dbraw/zinc/22/19/95/632221995.db2.gz CDXMAEINFIUJMV-JTQLQIEISA-N 1 0 250.302 1.763 20 5 CDBDRO C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000930097377 632676920 /nfs/dbraw/zinc/67/69/20/632676920.db2.gz DRJVFMFDZPISST-LERXQTSPSA-N 1 0 291.351 1.765 20 5 CDBDRO COc1ccc(C[C@@H](C)N2CC(C)([NH3+])C2)c([N+](=O)[O-])c1 ZINC001170328792 1162338687 /nfs/dbraw/zinc/33/86/87/1162338687.db2.gz UZGJTRYYHYSYEV-SNVBAGLBSA-N 1 0 279.340 1.567 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCCN1c1ncc([N+](=O)[O-])cc1F ZINC001157745390 1162383947 /nfs/dbraw/zinc/38/39/47/1162383947.db2.gz ZDYKEUZUMYKVTG-XVKPBYJWSA-N 1 0 254.265 1.445 20 5 CDBDRO C[NH2+]CCN(c1ncc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC001157830400 1162457399 /nfs/dbraw/zinc/45/73/99/1162457399.db2.gz UMNYSJWBDNSURU-UHFFFAOYSA-N 1 0 282.344 1.823 20 5 CDBDRO COc1cc(N(C(C)C)[C@@H]2CC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001158024782 1162683864 /nfs/dbraw/zinc/68/38/64/1162683864.db2.gz BQYBABKTXHWFLW-SNVBAGLBSA-N 1 0 280.328 1.575 20 5 CDBDRO CC1(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001131475238 1162919801 /nfs/dbraw/zinc/91/98/01/1162919801.db2.gz IFJNIMIVFWDQCM-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO C[C@@H](Nc1ccc2nc[nH]c2c1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001170574819 1162977388 /nfs/dbraw/zinc/97/73/88/1162977388.db2.gz UFZIISWNJYYWBO-LDYMZIIASA-N 1 0 291.311 1.260 20 5 CDBDRO CCC(=O)NC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169030306 1161998240 /nfs/dbraw/zinc/99/82/40/1161998240.db2.gz YJYJOYSUEKJQBR-YPMHNXCESA-N 1 0 283.372 1.422 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC3(C[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC001159042578 1164005273 /nfs/dbraw/zinc/00/52/73/1164005273.db2.gz YDPRABHPICDODV-UHFFFAOYSA-N 1 0 293.283 1.088 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(N[C@@H]([NH3+])CCC[NH3+])c1F ZINC001170902157 1164192797 /nfs/dbraw/zinc/19/27/97/1164192797.db2.gz BOYXGNZHYBUACX-SNVBAGLBSA-N 1 0 256.281 1.478 20 5 CDBDRO C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC001579413278 1172171240 /nfs/dbraw/zinc/17/12/40/1172171240.db2.gz XGBFRRIUBXGOHO-OPRDCNLKSA-N 1 0 263.297 1.509 20 5 CDBDRO Cc1ccc(NC(=O)[C@H]2C[C@@H]([NH3+])[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC001579720448 1172247136 /nfs/dbraw/zinc/24/71/36/1172247136.db2.gz VNSYMWDGTBGURH-WHOHXGKFSA-N 1 0 275.308 1.825 20 5 CDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1C[C@H]([NH3+])C1 ZINC001579992177 1172317268 /nfs/dbraw/zinc/31/72/68/1172317268.db2.gz DMXVNLSGMDLNLT-URHBZAFASA-N 1 0 279.222 1.249 20 5 CDBDRO [NH3+]C1(CNCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001580152746 1172362333 /nfs/dbraw/zinc/36/23/33/1172362333.db2.gz UBPFTRFLDNXRJV-UHFFFAOYSA-N 1 0 255.705 1.829 20 5 CDBDRO Nc1cc[nH+]c(CNC(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC001580462091 1172442637 /nfs/dbraw/zinc/44/26/37/1172442637.db2.gz BBCBELXNACJZGT-UHFFFAOYSA-N 1 0 290.254 1.641 20 5 CDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC001580833934 1172551356 /nfs/dbraw/zinc/55/13/56/1172551356.db2.gz WPKQBKZOLHMYEP-ZJUUUORDSA-N 1 0 293.327 1.065 20 5 CDBDRO Cc1nc(Cl)nc(N[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000235122466 1178231795 /nfs/dbraw/zinc/23/17/95/1178231795.db2.gz SKMBMNFBHYSMKN-LURJTMIESA-N 1 0 273.724 1.709 20 5 CDBDRO C[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000235171923 1178234407 /nfs/dbraw/zinc/23/44/07/1178234407.db2.gz PETHEUYXHGXBIO-CBAPKCEASA-N 1 0 296.249 1.083 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CC2(C1)CCC[NH2+]C2 ZINC001159019085 1163973625 /nfs/dbraw/zinc/97/36/25/1163973625.db2.gz BALXDYRQHLQRGW-UHFFFAOYSA-N 1 0 282.731 1.833 20 5 CDBDRO CC(C)(C)c1ccc(N[C@H]2C[NH2+]C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001170780520 1164118313 /nfs/dbraw/zinc/11/83/13/1164118313.db2.gz NGBSTKYCTNTDKN-GWCFXTLKSA-N 1 0 293.367 1.885 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000357630733 719399669 /nfs/dbraw/zinc/39/96/69/719399669.db2.gz QJKCWZZGUDTJOV-RYUDHWBXSA-N 1 0 292.339 1.126 20 5 CDBDRO C[NH+](C)CCCCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825890877 1165886363 /nfs/dbraw/zinc/88/63/63/1165886363.db2.gz AFELTDGUHULBFX-ZDUSSCGKSA-N 1 0 295.339 1.086 20 5 CDBDRO CC(C)(CCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[N+](=O)[O-] ZINC000822767663 828823006 /nfs/dbraw/zinc/82/30/06/828823006.db2.gz CITMBUWPCVAQMC-JTQLQIEISA-N 1 0 269.345 1.175 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000111303072 828826398 /nfs/dbraw/zinc/82/63/98/828826398.db2.gz ZCAYDJGOUVFMPB-LURJTMIESA-N 1 0 257.677 1.325 20 5 CDBDRO CCOCCOCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000922941298 832394471 /nfs/dbraw/zinc/39/44/71/832394471.db2.gz JGNUZFPYGAZWPS-UHFFFAOYSA-N 1 0 268.313 1.738 20 5 CDBDRO CCN(C)C(=O)[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819257567 833068738 /nfs/dbraw/zinc/06/87/38/833068738.db2.gz DQBRFWKLHZLGNP-ZWNOBZJWSA-N 1 0 295.339 1.085 20 5 CDBDRO C[C@H](NC[C@H]([NH3+])C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817965440 833086518 /nfs/dbraw/zinc/08/65/18/833086518.db2.gz QLRIOORNMBRIMS-UFBFGSQYSA-N 1 0 264.329 1.565 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000089108569 834057917 /nfs/dbraw/zinc/05/79/17/834057917.db2.gz IATWQXQHSWWQDI-PSASIEDQSA-N 1 0 251.290 1.314 20 5 CDBDRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815582725 833246019 /nfs/dbraw/zinc/24/60/19/833246019.db2.gz NXBLTWRTWQXYPD-KOLCDFICSA-N 1 0 299.396 1.942 20 5 CDBDRO CCC[C@@H](O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134418479 833259216 /nfs/dbraw/zinc/25/92/16/833259216.db2.gz ZDMZSAVKPLVFQU-CHWSQXEVSA-N 1 0 268.313 1.379 20 5 CDBDRO CO[C@H](C[NH3+])Cc1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000822807882 828842128 /nfs/dbraw/zinc/84/21/28/828842128.db2.gz JTXYXZRBMPORPG-JTQLQIEISA-N 1 0 292.295 1.469 20 5 CDBDRO C[C@]12COC[C@@H]1C[N@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC000886280526 828844642 /nfs/dbraw/zinc/84/46/42/828844642.db2.gz GIDLERJQBCFQJV-AAEUAGOBSA-N 1 0 263.297 1.458 20 5 CDBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cn(C)nn1 ZINC000720576176 828861386 /nfs/dbraw/zinc/86/13/86/828861386.db2.gz UBFGNOHAWFZBBN-SNVBAGLBSA-N 1 0 275.312 1.617 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000832378866 828913425 /nfs/dbraw/zinc/91/34/25/828913425.db2.gz ZDXRRUNGTUQTFZ-UHFFFAOYSA-N 1 0 296.283 1.232 20 5 CDBDRO CCc1nn(C)c(N2CC[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000261873555 828921479 /nfs/dbraw/zinc/92/14/79/828921479.db2.gz ZIRRGIWCRQITEU-ZDUSSCGKSA-N 1 0 279.344 1.081 20 5 CDBDRO Cc1nc([N+](=O)[O-])c(-c2noc(C3CC[NH2+]CC3)n2)n1C ZINC000843221600 828956337 /nfs/dbraw/zinc/95/63/37/828956337.db2.gz KMYCPJKSRMYAGM-UHFFFAOYSA-N 1 0 292.299 1.154 20 5 CDBDRO CCCN(CC[NH+](CC)CC)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839726320 829091682 /nfs/dbraw/zinc/09/16/82/829091682.db2.gz TXEXQEKANLKGDI-VXGBXAGGSA-N 1 0 271.361 1.232 20 5 CDBDRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000798195248 829378050 /nfs/dbraw/zinc/37/80/50/829378050.db2.gz MBFIAAIIPUUPHX-JTQLQIEISA-N 1 0 273.333 1.110 20 5 CDBDRO Cc1nc(N2CCC[C@@H]3[NH2+]CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000864599782 833404134 /nfs/dbraw/zinc/40/41/34/833404134.db2.gz CRLHIAVNEBJFLT-JQWIXIFHSA-N 1 0 262.313 1.629 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])c2nonc21 ZINC000817131706 829589138 /nfs/dbraw/zinc/58/91/38/829589138.db2.gz LRDZPLSYHRLXDY-SECBINFHSA-N 1 0 291.311 1.661 20 5 CDBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000159851836 829810443 /nfs/dbraw/zinc/81/04/43/829810443.db2.gz RXFOKBXUSOUWFX-LBPRGKRZSA-N 1 0 281.287 1.543 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424029473 829815952 /nfs/dbraw/zinc/81/59/52/829815952.db2.gz PPJGGNVXCCHPCF-HNNXBMFYSA-N 1 0 289.335 1.492 20 5 CDBDRO CS[C@H]1CN(Cc2cccnc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000886094519 829865169 /nfs/dbraw/zinc/86/51/69/829865169.db2.gz UOSYJXNJRIKEPD-NEPJUHHUSA-N 1 0 296.396 1.467 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132783278 833573485 /nfs/dbraw/zinc/57/34/85/833573485.db2.gz PVFDCGIDXUUKKJ-QPUJVOFHSA-N 1 0 281.287 1.591 20 5 CDBDRO C[N@H+](CCC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985425763 830196941 /nfs/dbraw/zinc/19/69/41/830196941.db2.gz IHNNBRBMTOKKBU-ZIAGYGMSSA-N 1 0 295.383 1.375 20 5 CDBDRO CN(CC[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000929764383 830205555 /nfs/dbraw/zinc/20/55/55/830205555.db2.gz PNGBXWADUMOMBF-HNNXBMFYSA-N 1 0 277.368 1.860 20 5 CDBDRO CCN(Cc1cccnc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000886846464 830234891 /nfs/dbraw/zinc/23/48/91/830234891.db2.gz ADKRINDDUNOEKF-NSHDSACASA-N 1 0 250.302 1.174 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000840151510 830391182 /nfs/dbraw/zinc/39/11/82/830391182.db2.gz GTNGVTCQTBJVEA-NSHDSACASA-N 1 0 267.333 1.163 20 5 CDBDRO [NH3+]C1CCC(NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000237854783 830401114 /nfs/dbraw/zinc/40/11/14/830401114.db2.gz KHAHTBPSJYIBLY-UHFFFAOYSA-N 1 0 293.323 1.360 20 5 CDBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839572762 830456282 /nfs/dbraw/zinc/45/62/82/830456282.db2.gz VNJZFUHEBHRHOZ-NZEXEKPDSA-N 1 0 283.372 1.134 20 5 CDBDRO CC[N@H+](CCNC[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000819059942 830504103 /nfs/dbraw/zinc/50/41/03/830504103.db2.gz JFFYOBNXELCZHI-HNNXBMFYSA-N 1 0 295.383 1.948 20 5 CDBDRO COC(=O)CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818941249 830517148 /nfs/dbraw/zinc/51/71/48/830517148.db2.gz RHPAKIRUCDEUKL-LBPRGKRZSA-N 1 0 282.296 1.171 20 5 CDBDRO C[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C[NH+]1CCCC1 ZINC000822614502 830533249 /nfs/dbraw/zinc/53/32/49/830533249.db2.gz WFWLZZPAFJSZBI-GFCCVEGCSA-N 1 0 285.388 1.670 20 5 CDBDRO C[NH2+]C[C@@H](C)c1noc(-c2ccccc2[N+](=O)[O-])n1 ZINC000721128888 830548401 /nfs/dbraw/zinc/54/84/01/830548401.db2.gz IXQPMNHRLXEOJV-MRVPVSSYSA-N 1 0 262.269 1.968 20 5 CDBDRO CCc1nn(C)c(N2CCC[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000807950229 830615418 /nfs/dbraw/zinc/61/54/18/830615418.db2.gz RPMRPTDDHLIEOK-LLVKDONJSA-N 1 0 295.387 1.669 20 5 CDBDRO CC(C)c1[nH]nc(C(=O)OCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000792278006 833633336 /nfs/dbraw/zinc/63/33/36/833633336.db2.gz DTWTXRZAOPYNRQ-UHFFFAOYSA-N 1 0 284.316 1.550 20 5 CDBDRO C[C@@H](NC[C@H]1CCCC[NH2+]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817949878 830788312 /nfs/dbraw/zinc/78/83/12/830788312.db2.gz OOSKNVDVRXPIBB-ZYHUDNBSSA-N 1 0 278.356 1.970 20 5 CDBDRO COc1ccc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000132008532 832263011 /nfs/dbraw/zinc/26/30/11/832263011.db2.gz XYLPCVHJLOHAIJ-UWVGGRQHSA-N 1 0 293.323 1.413 20 5 CDBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000856795752 833830339 /nfs/dbraw/zinc/83/03/39/833830339.db2.gz IVKRKZQNOHWEDN-ZLDLUXBVSA-N 1 0 294.351 1.579 20 5 CDBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cccnc1[N+](=O)[O-] ZINC000886202918 833836679 /nfs/dbraw/zinc/83/66/79/833836679.db2.gz HYCIKEHARFWAPE-QSLWVIQJSA-N 1 0 289.335 1.845 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815572500 832414466 /nfs/dbraw/zinc/41/44/66/832414466.db2.gz FIQMDIZJOCFEST-PSASIEDQSA-N 1 0 278.312 1.058 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H](CO)C2)cc1 ZINC000776272272 832419413 /nfs/dbraw/zinc/41/94/13/832419413.db2.gz SJMHCOUJQDWWAP-FZMZJTMJSA-N 1 0 280.324 1.333 20 5 CDBDRO O=[N+]([O-])c1ccccc1Cc1noc(C[C@@H]2CC[NH2+]C2)n1 ZINC000822646132 832577672 /nfs/dbraw/zinc/57/76/72/832577672.db2.gz AEVVARIBZXLVEP-JTQLQIEISA-N 1 0 288.307 1.721 20 5 CDBDRO C[N@H+](CCO)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000884824305 832733678 /nfs/dbraw/zinc/73/36/78/832733678.db2.gz VLDCINMQFOXHBW-UHFFFAOYSA-N 1 0 257.265 1.070 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000886039841 833960296 /nfs/dbraw/zinc/96/02/96/833960296.db2.gz QKYRXCHUVXTPCX-CHWSQXEVSA-N 1 0 277.324 1.991 20 5 CDBDRO C[NH+](C)C1(CNC(=O)CCC(C)(C)[N+](=O)[O-])CCC1 ZINC000829793375 832781762 /nfs/dbraw/zinc/78/17/62/832781762.db2.gz SCPFFNIZCJWTFH-UHFFFAOYSA-N 1 0 271.361 1.422 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701039434 832863975 /nfs/dbraw/zinc/86/39/75/832863975.db2.gz FNONQZAVSKRPOY-SSDOTTSWSA-N 1 0 271.704 1.573 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000088055698 832884889 /nfs/dbraw/zinc/88/48/89/832884889.db2.gz NOXGGNGSIJMEIL-KOLCDFICSA-N 1 0 295.314 1.946 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(F)CC2)c1 ZINC000880245190 832918575 /nfs/dbraw/zinc/91/85/75/832918575.db2.gz NCQPYFIIYZNORL-ZDUSSCGKSA-N 1 0 298.314 1.768 20 5 CDBDRO O=CN1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000839020942 832966445 /nfs/dbraw/zinc/96/64/45/832966445.db2.gz SKRVUDHKXVDPLO-UHFFFAOYSA-N 1 0 293.323 1.138 20 5 CDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700627589 834416642 /nfs/dbraw/zinc/41/66/42/834416642.db2.gz HOQYTAHQQRNWSM-VIFPVBQESA-N 1 0 297.742 1.978 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817968311 834841935 /nfs/dbraw/zinc/84/19/35/834841935.db2.gz JFSAWPUFIFVYIP-ZYHUDNBSSA-N 1 0 278.356 1.970 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000865914619 834925626 /nfs/dbraw/zinc/92/56/26/834925626.db2.gz RBIQTLCVSFDOJF-UHFFFAOYSA-N 1 0 264.329 1.829 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000054131689 834936026 /nfs/dbraw/zinc/93/60/26/834936026.db2.gz CTLHBMKMNFQZPM-UHFFFAOYSA-N 1 0 283.303 1.804 20 5 CDBDRO COCC[NH2+]CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000215517481 835266687 /nfs/dbraw/zinc/26/66/87/835266687.db2.gz BYWOGDHIHOVSMR-UHFFFAOYSA-N 1 0 284.272 1.151 20 5 CDBDRO [NH3+]CCCCCCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000831117350 835293343 /nfs/dbraw/zinc/29/33/43/835293343.db2.gz SJBOGPZVJJQSDJ-UHFFFAOYSA-N 1 0 294.355 1.913 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000715145791 835376621 /nfs/dbraw/zinc/37/66/21/835376621.db2.gz HSUBVUIJZIRIMA-MGCOHNPYSA-N 1 0 263.297 1.370 20 5 CDBDRO CC[C@H](CO)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000930353317 835400676 /nfs/dbraw/zinc/40/06/76/835400676.db2.gz HUIBXUHEGKJULW-GFCCVEGCSA-N 1 0 252.314 1.840 20 5 CDBDRO CCCN(c1ncc(C)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000090692618 835446657 /nfs/dbraw/zinc/44/66/57/835446657.db2.gz YBPABTPFWDLECZ-LLVKDONJSA-N 1 0 264.329 1.877 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CC[C@@H](O)C2)c1 ZINC000843092973 835483040 /nfs/dbraw/zinc/48/30/40/835483040.db2.gz OWRSUXCSIAWQFR-LERXQTSPSA-N 1 0 280.324 1.379 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCSC2)c1 ZINC000819117284 835598448 /nfs/dbraw/zinc/59/84/48/835598448.db2.gz DLGYPSJASXSBFX-CMPLNLGQSA-N 1 0 268.338 1.723 20 5 CDBDRO C[NH+](C)CCc1cn(Cc2cc(F)ccc2[N+](=O)[O-])nn1 ZINC000881225283 835693675 /nfs/dbraw/zinc/69/36/75/835693675.db2.gz CARRNGIYLNOQGV-UHFFFAOYSA-N 1 0 293.302 1.478 20 5 CDBDRO CCNC(=O)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873007825 835746192 /nfs/dbraw/zinc/74/61/92/835746192.db2.gz GRSYBUJPYZCZNM-UHFFFAOYSA-N 1 0 265.313 1.437 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1COC1 ZINC001173227660 912319353 /nfs/dbraw/zinc/31/93/53/912319353.db2.gz RYWYZIOWJVQIMB-JTQLQIEISA-N 1 0 250.298 1.856 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCOC1 ZINC001173211585 912337554 /nfs/dbraw/zinc/33/75/54/912337554.db2.gz SZOOLRQNBPJYOH-ZYHUDNBSSA-N 1 0 250.298 1.904 20 5 CDBDRO COC(=O)c1ccc(C)c(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001234417695 913614094 /nfs/dbraw/zinc/61/40/94/913614094.db2.gz AEJXDNVDIXDTFE-NSHDSACASA-N 1 0 267.349 1.650 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2ccc(CC[NH3+])n2)c1 ZINC001167731712 899513441 /nfs/dbraw/zinc/51/34/41/899513441.db2.gz RYXHYSDZDRGUNQ-UHFFFAOYSA-N 1 0 290.279 1.068 20 5 CDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc[nH]1 ZINC001123444994 914451393 /nfs/dbraw/zinc/45/13/93/914451393.db2.gz JSGVAUXUZYZOMU-UHFFFAOYSA-N 1 0 288.307 1.443 20 5 CDBDRO N=C(Nc1cc(F)cc(F)c1[N+](=O)[O-])SCC[NH3+] ZINC001167914018 901024687 /nfs/dbraw/zinc/02/46/87/901024687.db2.gz HEUUAEAOEKDRJZ-UHFFFAOYSA-N 1 0 276.268 1.912 20 5 CDBDRO CN1Cc2cc(NC3(C)CC[NH2+]CC3)cc([N+](=O)[O-])c2N1 ZINC001168189676 907790479 /nfs/dbraw/zinc/79/04/79/907790479.db2.gz WOWTZNIAJXMTKR-UHFFFAOYSA-N 1 0 291.355 1.921 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1C[C@H](O)C1)CC2 ZINC001172900865 912036879 /nfs/dbraw/zinc/03/68/79/912036879.db2.gz GYGQGQKFLGJMPB-YDHLFZDLSA-N 1 0 276.336 1.955 20 5 CDBDRO CN(CC[NH3+])C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001163686837 939307684 /nfs/dbraw/zinc/30/76/84/939307684.db2.gz INWBMHQNPKMBAY-UHFFFAOYSA-N 1 0 280.662 1.583 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001165388745 925022844 /nfs/dbraw/zinc/02/28/44/925022844.db2.gz ZTMIXRXCNUYGGT-IUCAKERBSA-N 1 0 268.704 1.584 20 5 CDBDRO [NH3+]CCc1nccn1-c1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001166350859 925065868 /nfs/dbraw/zinc/06/58/68/925065868.db2.gz FUKBIMVFXWEYRP-UHFFFAOYSA-N 1 0 271.280 1.763 20 5 CDBDRO CCOc1nc(N[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC001155922256 927199053 /nfs/dbraw/zinc/19/90/53/927199053.db2.gz WEAFZNZLAZSQQM-VIFPVBQESA-N 1 0 268.317 1.751 20 5 CDBDRO NC(=[NH2+])N(c1ccccc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168977501 927562999 /nfs/dbraw/zinc/56/29/99/927562999.db2.gz KLJNEJGBORCAGS-ZYHUDNBSSA-N 1 0 262.313 1.832 20 5 CDBDRO COCCn1cncc1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168978635 927565977 /nfs/dbraw/zinc/56/59/77/927565977.db2.gz TWGFJUBWHVHASU-RYUDHWBXSA-N 1 0 282.344 1.065 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc3c2OCO3)C1 ZINC001168979492 927567802 /nfs/dbraw/zinc/56/78/02/927567802.db2.gz YNBQGHZXGIKPIG-ZYHUDNBSSA-N 1 0 278.308 1.950 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CCC3(CC2)OCCO3)C1 ZINC001168981154 927567968 /nfs/dbraw/zinc/56/79/68/927567968.db2.gz GNIJBTKWCAGQMX-WCQYABFASA-N 1 0 284.356 1.707 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2cncs2)C1 ZINC001168984650 927573759 /nfs/dbraw/zinc/57/37/59/927573759.db2.gz PMPDOYYJUVGBPU-NXEZZACHSA-N 1 0 255.343 1.721 20 5 CDBDRO CN1Cc2cc(-n3cc(CC[NH3+])cn3)cc([N+](=O)[O-])c2N1 ZINC001168955450 927577122 /nfs/dbraw/zinc/57/71/22/927577122.db2.gz ZJLVNCKFBRUZGR-UHFFFAOYSA-N 1 0 288.311 1.054 20 5 CDBDRO CCN1CCC[C@H]1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168957856 927580103 /nfs/dbraw/zinc/58/01/03/927580103.db2.gz JTFYIJXURAZPEF-AGIUHOORSA-N 1 0 255.362 1.506 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cn3cccnc3n2)C1 ZINC001168957999 927580158 /nfs/dbraw/zinc/58/01/58/927580158.db2.gz KPWMYZDYYBUXIN-WDEREUQCSA-N 1 0 275.312 1.264 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2ccc(O)cc2)C1 ZINC001168964510 927587433 /nfs/dbraw/zinc/58/74/33/927587433.db2.gz ULMXTPUXFYUYJK-OLZOCXBDSA-N 1 0 264.325 1.970 20 5 CDBDRO COc1ncccc1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168966283 927588747 /nfs/dbraw/zinc/58/87/47/927588747.db2.gz HJRWLTOMPBWNJP-ZYHUDNBSSA-N 1 0 265.313 1.625 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCC2CCOCC2)C1 ZINC001168965330 927588988 /nfs/dbraw/zinc/58/89/88/927588988.db2.gz ZUJDBGBWQXHOEX-OLZOCXBDSA-N 1 0 256.346 1.838 20 5 CDBDRO CCNC(=O)N1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168965933 927589016 /nfs/dbraw/zinc/58/90/16/927589016.db2.gz DQQARTCYQZLBQC-AAEUAGOBSA-N 1 0 298.387 1.215 20 5 CDBDRO NC(=O)c1ccccc1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968499 927592232 /nfs/dbraw/zinc/59/22/32/927592232.db2.gz ZRDFUPCHYOQNKG-CMPLNLGQSA-N 1 0 277.324 1.321 20 5 CDBDRO COCCN1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168992479 927600391 /nfs/dbraw/zinc/60/03/91/927600391.db2.gz JYQYGTFIZGLBKN-JSGCOSHPSA-N 1 0 285.388 1.132 20 5 CDBDRO O=C(C1CCC1)N1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168992807 927601130 /nfs/dbraw/zinc/60/11/30/927601130.db2.gz KTHUTJGYOVVDHT-XBFCOCLRSA-N 1 0 295.383 1.422 20 5 CDBDRO CC(C)CN1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168996013 927602269 /nfs/dbraw/zinc/60/22/69/927602269.db2.gz TZVQSASFVHENIF-RDBSUJKOSA-N 1 0 269.389 1.752 20 5 CDBDRO Cc1ncncc1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169001477 927606524 /nfs/dbraw/zinc/60/65/24/927606524.db2.gz GICCJTNPHROGPS-PWSUYJOCSA-N 1 0 250.302 1.320 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)C1 ZINC001169010722 927617121 /nfs/dbraw/zinc/61/71/21/927617121.db2.gz FUEGNQWNWCFWSV-ZOBORPQBSA-N 1 0 268.357 1.933 20 5 CDBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168986614 927622872 /nfs/dbraw/zinc/62/28/72/927622872.db2.gz XQFACRJUQZHXQW-NDBYEHHHSA-N 1 0 284.356 1.753 20 5 CDBDRO CO[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169033021 927642654 /nfs/dbraw/zinc/64/26/54/927642654.db2.gz BCNUPRDGEYWLDI-JHJVBQTASA-N 1 0 256.346 1.933 20 5 CDBDRO CCNC(=O)OC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169035155 927643485 /nfs/dbraw/zinc/64/34/85/927643485.db2.gz ASGVHUFIIGJFHQ-RYUDHWBXSA-N 1 0 299.371 1.642 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(CCF)CC2)C1 ZINC001169035988 927644525 /nfs/dbraw/zinc/64/45/25/927644525.db2.gz MKBNAMZRUVQFTQ-RYUDHWBXSA-N 1 0 259.325 1.019 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CC(N3CCC(F)(F)C3)C2)C1 ZINC001169037715 927647118 /nfs/dbraw/zinc/64/71/18/927647118.db2.gz TVLSRSPTCAOMIS-MNOVXSKESA-N 1 0 289.326 1.457 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(C2)CC(F)(F)CO3)C1 ZINC001169039002 927649446 /nfs/dbraw/zinc/64/94/46/927649446.db2.gz MICJXDADPLHUSI-GRYCIOLGSA-N 1 0 290.310 1.932 20 5 CDBDRO CCOC(=O)[C@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169042130 927657272 /nfs/dbraw/zinc/65/72/72/927657272.db2.gz CZFWEROHJHMMQO-SRVKXCTJSA-N 1 0 270.329 1.317 20 5 CDBDRO O=C1CC[C@]2(CCC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)O1 ZINC001169044810 927657303 /nfs/dbraw/zinc/65/73/03/927657303.db2.gz IYQWWZJJRLTGOV-DYEKYZERSA-N 1 0 282.340 1.603 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC001169026555 927666498 /nfs/dbraw/zinc/66/64/98/927666498.db2.gz MKKTZAVJVAWZNK-AGIUHOORSA-N 1 0 253.346 1.212 20 5 CDBDRO CCCNC(=O)[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169026519 927667370 /nfs/dbraw/zinc/66/73/70/927667370.db2.gz LYJSBNKOXXHGII-IHRRRGAJSA-N 1 0 297.399 1.813 20 5 CDBDRO O=C(N[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1)C1CC1 ZINC001169055395 927672400 /nfs/dbraw/zinc/67/24/00/927672400.db2.gz PWOOVRCVUXPBDB-YUTCNCBUSA-N 1 0 295.383 1.422 20 5 CDBDRO Cc1c(F)cnc(-n2ccc(C[NH3+])c2)c1[N+](=O)[O-] ZINC001169716677 928372464 /nfs/dbraw/zinc/37/24/64/928372464.db2.gz NHZYBMSJTIINBX-UHFFFAOYSA-N 1 0 250.233 1.687 20 5 CDBDRO CN(c1ccc2c(n1)[nH]cc2[N+](=O)[O-])C(C)(C)C[NH3+] ZINC001170052604 929186414 /nfs/dbraw/zinc/18/64/14/929186414.db2.gz IKZCTUKEVYCMED-UHFFFAOYSA-N 1 0 263.301 1.645 20 5 CDBDRO C[C@@H]([NH3+])c1cn(Cc2c(F)cc([N+](=O)[O-])cc2F)nn1 ZINC000881353030 929822074 /nfs/dbraw/zinc/82/20/74/929822074.db2.gz DXKNWIPFNWVGSD-ZCFIWIBFSA-N 1 0 283.238 1.533 20 5 CDBDRO OC[C@@H]1C[NH2+]C[C@H]1Nc1ncnc2cc3ccccc3cc21 ZINC001170780179 929968738 /nfs/dbraw/zinc/96/87/38/929968738.db2.gz SHJHFIRQCAJAEU-XJKSGUPXSA-N 1 0 294.358 1.775 20 5 CDBDRO C[C@@H]([NH3+])CCNc1ccc(N(C)C)cc1[N+](=O)[O-] ZINC001170890955 930683049 /nfs/dbraw/zinc/68/30/49/930683049.db2.gz QBJVAIVESCHLPP-SECBINFHSA-N 1 0 252.318 1.810 20 5 CDBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886229341 930831733 /nfs/dbraw/zinc/83/17/33/930831733.db2.gz OFJDPNZIFQJXBN-UWVGGRQHSA-N 1 0 251.286 1.239 20 5 CDBDRO CCC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001153990165 937488988 /nfs/dbraw/zinc/48/89/88/937488988.db2.gz TUVMCOOKKGKFKX-UHFFFAOYSA-N 1 0 265.313 1.601 20 5 CDBDRO Nc1c(C(=O)NCCCCCC[NH3+])cc(F)cc1[N+](=O)[O-] ZINC000843510046 931505448 /nfs/dbraw/zinc/50/54/48/931505448.db2.gz JAPNSBFTAZUEGS-UHFFFAOYSA-N 1 0 298.318 1.565 20 5 CDBDRO CS[C@@H]1CC[C@@H](N(C)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001323271125 931771427 /nfs/dbraw/zinc/77/14/27/931771427.db2.gz YUSAUOYWROZYSF-MWLCHTKSSA-N 1 0 270.358 1.965 20 5 CDBDRO CSCC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001154417331 937542286 /nfs/dbraw/zinc/54/22/86/937542286.db2.gz DEBTYZWMFPBYII-UHFFFAOYSA-N 1 0 297.380 1.554 20 5 CDBDRO Cc1ccnc(N[C@@H](C)CN2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001154748923 937582086 /nfs/dbraw/zinc/58/20/86/937582086.db2.gz WEDRRZWJWGRTNE-NSHDSACASA-N 1 0 279.344 1.004 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2cnc(C[NH3+])c2)n1 ZINC001154906126 937602397 /nfs/dbraw/zinc/60/23/97/937602397.db2.gz BJEBJRKWVWTCHU-UHFFFAOYSA-N 1 0 267.676 1.596 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@H]1CCC[C@H]([NH3+])C1 ZINC001154986553 937616775 /nfs/dbraw/zinc/61/67/75/937616775.db2.gz SQZNNRSJUPYGHC-UWVGGRQHSA-N 1 0 266.301 1.218 20 5 CDBDRO Cc1nc(N[C@@H]2CCC[C@@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC001154990164 937617491 /nfs/dbraw/zinc/61/74/91/937617491.db2.gz XUTFNMIQHBZRFL-RKDXNWHRSA-N 1 0 251.290 1.375 20 5 CDBDRO COc1cnc(NC[C@@H]2C[C@H](F)C[NH2+]2)c([N+](=O)[O-])c1 ZINC001155034210 937624238 /nfs/dbraw/zinc/62/42/38/937624238.db2.gz WYZNXYYRSATFGO-YUMQZZPRSA-N 1 0 270.264 1.110 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3C[C@H](F)C[NH2+]3)c21 ZINC001155039179 937624881 /nfs/dbraw/zinc/62/48/81/937624881.db2.gz BAJCKNWAVMSVSL-IUCAKERBSA-N 1 0 291.286 1.650 20 5 CDBDRO C[C@@H]1C[C@@H](CNc2cnc3cc([N+](=O)[O-])ccc3n2)C[NH2+]1 ZINC001155101128 937635248 /nfs/dbraw/zinc/63/52/48/937635248.db2.gz KXEFPJSCWXFAQB-NXEZZACHSA-N 1 0 287.323 1.948 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC001155894914 937686509 /nfs/dbraw/zinc/68/65/09/937686509.db2.gz ZQCIQKVMNRRQCG-BDAKNGLRSA-N 1 0 295.343 1.093 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CCCC[N@@H+]1C ZINC001120971491 937850827 /nfs/dbraw/zinc/85/08/27/937850827.db2.gz AIGYAKVWTFQPQB-VIFPVBQESA-N 1 0 253.306 1.225 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CCCC[N@H+]1C ZINC001120972067 937851065 /nfs/dbraw/zinc/85/10/65/937851065.db2.gz LNZAKXYGICVLNO-NSHDSACASA-N 1 0 264.329 1.616 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(-n2ccc(CC[NH3+])n2)nc1Cl ZINC001156898777 938431476 /nfs/dbraw/zinc/43/14/76/938431476.db2.gz UQFCUKVWPHJINC-UHFFFAOYSA-N 1 0 281.703 1.639 20 5 CDBDRO CCOC(=O)CN(CCC[NH3+])c1ncc([N+](=O)[O-])cc1C ZINC001157544276 938507583 /nfs/dbraw/zinc/50/75/83/938507583.db2.gz IMJLNYIPRFLJOT-UHFFFAOYSA-N 1 0 296.327 1.017 20 5 CDBDRO NC(=[NH2+])c1nccn1-c1ncnc2cccc([N+](=O)[O-])c21 ZINC001157629139 938523685 /nfs/dbraw/zinc/52/36/85/938523685.db2.gz KTVAHDJTXVBKFL-UHFFFAOYSA-N 1 0 283.251 1.008 20 5 CDBDRO Cc1nc(Cl)nc(N(C(C)C)[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC001158023085 938575763 /nfs/dbraw/zinc/57/57/63/938575763.db2.gz RSBMTDPOQKIMBK-SECBINFHSA-N 1 0 299.762 1.923 20 5 CDBDRO C[C@@H]1CN(c2nccc(Cl)c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001158173761 938590404 /nfs/dbraw/zinc/59/04/04/938590404.db2.gz VPOIDGHNUKHWTQ-OCAPTIKFSA-N 1 0 270.720 1.830 20 5 CDBDRO COc1cnc(N2C[C@@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001158177320 938591435 /nfs/dbraw/zinc/59/14/35/938591435.db2.gz SVXSJFGNPUDUBK-DTORHVGOSA-N 1 0 266.301 1.185 20 5 CDBDRO C[C@@H]1CN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC001158180758 938591948 /nfs/dbraw/zinc/59/19/48/938591948.db2.gz ZOXWVRZEBFGGPA-HTQZYQBOSA-N 1 0 286.719 1.068 20 5 CDBDRO CCN(c1nc(Cl)nc(C)c1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC001158200975 938594425 /nfs/dbraw/zinc/59/44/25/938594425.db2.gz RYOJCTQRZNUKCN-VIFPVBQESA-N 1 0 299.762 1.925 20 5 CDBDRO C[C@@]1(C[NH3+])CCCN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001158678992 938649759 /nfs/dbraw/zinc/64/97/59/938649759.db2.gz QREMMDCNDMEMMD-LBPRGKRZSA-N 1 0 265.317 1.137 20 5 CDBDRO O=[N+]([O-])c1cccc2ccc(NC[C@H]3COCC[NH2+]3)nc21 ZINC001159042745 938695791 /nfs/dbraw/zinc/69/57/91/938695791.db2.gz JJEYTDOVUZPQJD-NSHDSACASA-N 1 0 288.307 1.543 20 5 CDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1NCC1C[NH+](C)C1 ZINC001159219453 938713273 /nfs/dbraw/zinc/71/32/73/938713273.db2.gz JSNATSWJTVMVHR-UHFFFAOYSA-N 1 0 294.311 1.140 20 5 CDBDRO Cc1cnc(N[C@H](C)[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC001159489964 938732070 /nfs/dbraw/zinc/73/20/70/938732070.db2.gz SGKOIBGASJBWTL-KOLCDFICSA-N 1 0 266.301 1.087 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(-n2cc3ccc(C[NH3+])cc3n2)n1 ZINC001160140624 938770692 /nfs/dbraw/zinc/77/06/92/938770692.db2.gz JKTNOHQITQPYNJ-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO N=c1ncc(C[NH3+])cn1-c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001161415103 938901495 /nfs/dbraw/zinc/90/14/95/938901495.db2.gz ASBOFZPRYJHLJC-UHFFFAOYSA-N 1 0 296.290 1.267 20 5 CDBDRO COCCC1(CNc2cc([N+](=O)[O-])ccn2)CC[NH2+]CC1 ZINC001161497109 938906918 /nfs/dbraw/zinc/90/69/18/938906918.db2.gz GWVAOIZTIFIWOY-UHFFFAOYSA-N 1 0 294.355 1.808 20 5 CDBDRO C[NH+](C)CCCCNc1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001161724448 938926590 /nfs/dbraw/zinc/92/65/90/938926590.db2.gz ITQDQPWRUPGNCG-UHFFFAOYSA-N 1 0 272.280 1.121 20 5 CDBDRO COc1cnc(NC[C@@H]2CC[NH2+]C[C@@H]2F)c([N+](=O)[O-])c1 ZINC001162802901 939146157 /nfs/dbraw/zinc/14/61/57/939146157.db2.gz YUEKYQLUFRKZNJ-WPRPVWTQSA-N 1 0 284.291 1.358 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CC[NH2+]C[C@@H]2F)n1 ZINC001162804969 939146929 /nfs/dbraw/zinc/14/69/29/939146929.db2.gz CEDHGZUNPUJBGE-QWRGUYRKSA-N 1 0 282.319 1.966 20 5 CDBDRO COC(=O)[C@@H](Nc1c(C)cccc1[N+](=O)[O-])C(C)(C)[NH3+] ZINC001162947370 939164413 /nfs/dbraw/zinc/16/44/13/939164413.db2.gz DFXOXQCHWUMMRB-LLVKDONJSA-N 1 0 281.312 1.594 20 5 CDBDRO O=[N+]([O-])c1cnc2ccc(N[C@@]34CCC[C@@H]3[NH2+]CC4)cn21 ZINC001162983268 939169449 /nfs/dbraw/zinc/16/94/49/939169449.db2.gz UVQDKGAXZSTKRI-SMDDNHRTSA-N 1 0 287.323 1.939 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2COCCC23C[NH2+]C3)n1 ZINC001163071247 939190606 /nfs/dbraw/zinc/19/06/06/939190606.db2.gz AQWGQVVABFGOAV-LLVKDONJSA-N 1 0 278.312 1.089 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163141656 939212197 /nfs/dbraw/zinc/21/21/97/939212197.db2.gz QVEOQMLZRROVCD-GMTAPVOTSA-N 1 0 263.297 1.302 20 5 CDBDRO COc1ccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)nc1[N+](=O)[O-] ZINC001163261411 939234519 /nfs/dbraw/zinc/23/45/19/939234519.db2.gz VJNIWPCWTBNBGC-UTLUCORTSA-N 1 0 278.312 1.408 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001163772837 939326849 /nfs/dbraw/zinc/32/68/49/939326849.db2.gz PFJINVAUXCEOGD-MRVPVSSYSA-N 1 0 263.301 1.833 20 5 CDBDRO COc1cc(N[C@H](C)C[NH+](C)C)cnc1[N+](=O)[O-] ZINC001163782220 939330083 /nfs/dbraw/zinc/33/00/83/939330083.db2.gz CVXKPKIPNUWQRI-MRVPVSSYSA-N 1 0 254.290 1.360 20 5 CDBDRO C[C@]1(C[NH3+])CCCN(c2cccc([N+](=O)[O-])n2)CC1 ZINC001164241900 939439609 /nfs/dbraw/zinc/43/96/09/939439609.db2.gz GOQPLVWEKIWPDZ-ZDUSSCGKSA-N 1 0 264.329 1.945 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC[C@H]1C[NH+](C)C ZINC001165075807 939507620 /nfs/dbraw/zinc/50/76/20/939507620.db2.gz DHOZRELUBWWLBJ-NSHDSACASA-N 1 0 280.328 1.067 20 5 CDBDRO CCOc1nc(N2CCC[C@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC001165078102 939508017 /nfs/dbraw/zinc/50/80/17/939508017.db2.gz SYTWRPRKWPJMKB-NSHDSACASA-N 1 0 294.355 1.919 20 5 CDBDRO Cc1c(C)c(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)ncc1[N+](=O)[O-] ZINC001165271392 939538523 /nfs/dbraw/zinc/53/85/23/939538523.db2.gz SQYQEFMHTFZHGQ-AAEUAGOBSA-N 1 0 292.339 1.174 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[NH2+]CC[C@H]32)c(Cl)c1 ZINC001165296696 939542196 /nfs/dbraw/zinc/54/21/96/939542196.db2.gz SDTVIWPUIYCLQN-VHSXEESVSA-N 1 0 268.704 1.584 20 5 CDBDRO [NH3+][C@@]12C[C@@H]1CCN(c1ncnc3cc([N+](=O)[O-])ccc31)C2 ZINC001165327813 939545865 /nfs/dbraw/zinc/54/58/65/939545865.db2.gz OQIWXOAQRKHDRU-LKFCYVNXSA-N 1 0 285.307 1.466 20 5 CDBDRO [NH3+][C@H]1[C@H]2CN(c3nccc(Cl)c3[N+](=O)[O-])C[C@@H]12 ZINC001165381202 939553411 /nfs/dbraw/zinc/55/34/11/939553411.db2.gz QSKOLSTWKJVORY-UQWHLADISA-N 1 0 254.677 1.037 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(N3CCC[C@@H]4[NH2+]C[C@@H]43)c2c1 ZINC001165394353 939558226 /nfs/dbraw/zinc/55/82/26/939558226.db2.gz WXOKLYAJZRLICM-STQMWFEESA-N 1 0 285.307 1.479 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(C2C[NH2+]C2)CC1 ZINC001165408800 939559865 /nfs/dbraw/zinc/55/98/65/939559865.db2.gz GTIKWYOKCIXWCZ-UHFFFAOYSA-N 1 0 276.340 1.734 20 5 CDBDRO [NH3+]C1([C@@H]2CN(c3cccc([N+](=O)[O-])n3)C[C@@H]2CF)CC1 ZINC001165428786 939563644 /nfs/dbraw/zinc/56/36/44/939563644.db2.gz GIDORSRUDZIMMG-VHSXEESVSA-N 1 0 280.303 1.503 20 5 CDBDRO Nc1nc(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)ccc1[N+](=O)[O-] ZINC001165435753 939565304 /nfs/dbraw/zinc/56/53/04/939565304.db2.gz XJHSOFMNHMXOMJ-IUCAKERBSA-N 1 0 295.318 1.085 20 5 CDBDRO CN(C[C@@H]1CC[NH2+]C1)c1ncc(F)cc1[N+](=O)[O-] ZINC001166955265 939658758 /nfs/dbraw/zinc/65/87/58/939658758.db2.gz UILVXSDRWPFOAR-MRVPVSSYSA-N 1 0 254.265 1.175 20 5 CDBDRO C[NH2+]Cc1cccc(Nc2ncnc(OC)c2[N+](=O)[O-])c1 ZINC001167033370 939673947 /nfs/dbraw/zinc/67/39/47/939673947.db2.gz LTJQAHABCXWTGQ-UHFFFAOYSA-N 1 0 289.295 1.856 20 5 CDBDRO COc1ncc(Nc2cc[nH+]c(CO)c2)cc1[N+](=O)[O-] ZINC001210137046 940666084 /nfs/dbraw/zinc/66/60/84/940666084.db2.gz RMZIMZPCVQDENU-UHFFFAOYSA-N 1 0 276.252 1.629 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1NC[C@@H]1CCCC[NH2+]1 ZINC000401269429 940866200 /nfs/dbraw/zinc/86/62/00/940866200.db2.gz QBSYCRZEFGSAQR-VIFPVBQESA-N 1 0 254.265 1.683 20 5 CDBDRO Cc1nc(Cl)nc(O[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC001218179900 941042292 /nfs/dbraw/zinc/04/22/92/941042292.db2.gz TYCJQBVYLZPOFP-LURJTMIESA-N 1 0 258.665 1.087 20 5 CDBDRO COC(=O)c1c(CO[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC001223294066 941668073 /nfs/dbraw/zinc/66/80/73/941668073.db2.gz HAYGLGJCKXRPML-JTQLQIEISA-N 1 0 296.323 1.848 20 5 CDBDRO C[N+](C)(C)CCCOC1CCC2(CC1)OCCO2 ZINC001224620288 941776734 /nfs/dbraw/zinc/77/67/34/941776734.db2.gz WCSMETJTPBTZRJ-UHFFFAOYSA-N 1 0 258.382 1.785 20 5 CDBDRO C[N+](C)(C)CCO[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001224772689 941790116 /nfs/dbraw/zinc/79/01/16/941790116.db2.gz BTMZXVTVNOQIJQ-HNNXBMFYSA-N 1 0 277.388 1.510 20 5 CDBDRO Cc1cc2c(cccc2OC(=O)C[C@@H](O)C[N+](C)(C)C)[nH]1 ZINC001225463784 941863520 /nfs/dbraw/zinc/86/35/20/941863520.db2.gz DVDRAGKQYLXEEE-GFCCVEGCSA-N 1 0 291.371 1.839 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225666467 941897295 /nfs/dbraw/zinc/89/72/95/941897295.db2.gz JIFAVKDABYECSC-SECBINFHSA-N 1 0 267.285 1.559 20 5 CDBDRO CCOC(=O)c1cn(C)nc1O[C@@H](C)C[N+](C)(C)C ZINC001226444010 942005609 /nfs/dbraw/zinc/00/56/09/942005609.db2.gz KNRMYHKVDZIHIV-JTQLQIEISA-N 1 0 270.353 1.070 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2nc(Cl)nc(C)c2[N+](=O)[O-])C1 ZINC001227334579 942167033 /nfs/dbraw/zinc/16/70/33/942167033.db2.gz LMXBBZPCARVVRR-MRVPVSSYSA-N 1 0 286.719 1.820 20 5 CDBDRO Cc1[nH]c(=O)cc(O[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001228686180 942357185 /nfs/dbraw/zinc/35/71/85/942357185.db2.gz MFBZATSNGJJMHU-JTQLQIEISA-N 1 0 281.312 1.865 20 5 CDBDRO C[N@@H+]1CCC[C@@H](Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)CC1 ZINC001230229886 942591613 /nfs/dbraw/zinc/59/16/13/942591613.db2.gz HURMEBOROSBDKF-SECBINFHSA-N 1 0 291.311 1.729 20 5 CDBDRO C[N@@H+]1C[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001303986136 944291181 /nfs/dbraw/zinc/29/11/81/944291181.db2.gz OUOMTHABPYPJBG-GFCCVEGCSA-N 1 0 292.339 1.247 20 5 CDBDRO C[NH2+][C@@H](C)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC001261370559 946081450 /nfs/dbraw/zinc/08/14/50/946081450.db2.gz NDXRACMHUNHCNJ-NSHDSACASA-N 1 0 251.330 1.991 20 5 CDBDRO C[C@H](NCC[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001262256841 946551442 /nfs/dbraw/zinc/55/14/42/946551442.db2.gz WJHNWBKETUPCQH-NWDGAFQWSA-N 1 0 255.362 1.506 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC001262565886 946714750 /nfs/dbraw/zinc/71/47/50/946714750.db2.gz YMYKKGOBTFGOMK-UHFFFAOYSA-N 1 0 278.337 1.614 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCO3)CC2)cc1 ZINC001254465857 947450447 /nfs/dbraw/zinc/45/04/47/947450447.db2.gz NLPJAIVXCKLIOK-HNNXBMFYSA-N 1 0 291.351 1.942 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CC(O)C3)CC2)cc1 ZINC001254464506 947451337 /nfs/dbraw/zinc/45/13/37/947451337.db2.gz FUKUGBJPFPHSOS-UHFFFAOYSA-N 1 0 291.351 1.677 20 5 CDBDRO Cn1cnc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254565235 947528269 /nfs/dbraw/zinc/52/82/69/947528269.db2.gz CINVBBCIIRCZBW-GFCCVEGCSA-N 1 0 272.308 1.585 20 5 CDBDRO COC(C)(C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)OC ZINC001254577838 947535220 /nfs/dbraw/zinc/53/52/20/947535220.db2.gz HAWBCMSJSVHZLG-LBPRGKRZSA-N 1 0 280.324 1.661 20 5 CDBDRO C[C@@]1([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H](O)C1 ZINC001254576806 947535337 /nfs/dbraw/zinc/53/53/37/947535337.db2.gz ZRRKHXXMCMXTDE-UBHSHLNASA-N 1 0 262.309 1.565 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@H](O)c1ccccn1)C2 ZINC001254578562 947535484 /nfs/dbraw/zinc/53/54/84/947535484.db2.gz MKTBDWHTHWQJCT-CJNGLKHVSA-N 1 0 299.330 1.780 20 5 CDBDRO C[C@@H](C[NH3+])C[N@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580593 947536895 /nfs/dbraw/zinc/53/68/95/947536895.db2.gz GSQRRCKAEQSGNH-IINYFYTJSA-N 1 0 263.341 1.589 20 5 CDBDRO CC(=O)NCCCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580230 947538016 /nfs/dbraw/zinc/53/80/16/947538016.db2.gz CJKKVGUKHJYYMJ-AWEZNQCLSA-N 1 0 291.351 1.568 20 5 CDBDRO CC1(C)C(=O)NC[C@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254589573 947543803 /nfs/dbraw/zinc/54/38/03/947543803.db2.gz PEPOKDOOPBAJEA-WCQYABFASA-N 1 0 289.335 1.176 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[NH+](C3CC3)CC1)C2 ZINC001254601029 947550278 /nfs/dbraw/zinc/55/02/78/947550278.db2.gz XJYAFHODSLWBIQ-INIZCTEOSA-N 1 0 287.363 1.842 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000723810281 948153313 /nfs/dbraw/zinc/15/33/13/948153313.db2.gz KRHKTIXISHQSQM-SCZZXKLOSA-N 1 0 297.742 1.834 20 5 CDBDRO COc1ccc(C[C@H](C)N2C[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC001246918410 948518127 /nfs/dbraw/zinc/51/81/27/948518127.db2.gz KMGUHNXPTZHJMY-WBIUFABUSA-N 1 0 291.351 1.438 20 5 CDBDRO C[C@]1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CC[NH2+]C1 ZINC001247771532 948767237 /nfs/dbraw/zinc/76/72/37/948767237.db2.gz VNQLQZNEDBEMKD-LBPRGKRZSA-N 1 0 293.258 1.430 20 5 CDBDRO CC(C)(CCC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)[N+](=O)[O-] ZINC001324412071 953379718 /nfs/dbraw/zinc/37/97/18/953379718.db2.gz QFFLFCOZVQNZME-GFCCVEGCSA-N 1 0 283.372 1.519 20 5 CDBDRO CC[C@@]1(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[NH2+]C1 ZINC001326132681 954228571 /nfs/dbraw/zinc/22/85/71/954228571.db2.gz KVZVLKQXXRGGOV-OAHLLOKOSA-N 1 0 289.335 1.874 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001326134585 954231744 /nfs/dbraw/zinc/23/17/44/954231744.db2.gz ZINDKYYMQWMYCW-JTQLQIEISA-N 1 0 280.328 1.392 20 5 CDBDRO O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327120631 954718351 /nfs/dbraw/zinc/71/83/51/954718351.db2.gz IXWXBZREXUEWPJ-WQAKAFBOSA-N 1 0 273.292 1.187 20 5 CDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001303272769 956076286 /nfs/dbraw/zinc/07/62/86/956076286.db2.gz DTGHULHSUXBTKX-NEPJUHHUSA-N 1 0 278.312 1.232 20 5 CDBDRO C[C@H]1[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC001303802357 956119769 /nfs/dbraw/zinc/11/97/69/956119769.db2.gz VGHZPNAYCFBZFF-XVKPBYJWSA-N 1 0 296.302 1.139 20 5 CDBDRO C[C@@H]1[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC001303802356 956119809 /nfs/dbraw/zinc/11/98/09/956119809.db2.gz VGHZPNAYCFBZFF-XCBNKYQSSA-N 1 0 296.302 1.139 20 5 CDBDRO COc1c(O)ccc(C[NH2+]C[C@H](C)CCCO)c1[N+](=O)[O-] ZINC001308786964 956582588 /nfs/dbraw/zinc/58/25/88/956582588.db2.gz XQAPRJUWBUDRNG-SNVBAGLBSA-N 1 0 298.339 1.807 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001331274172 956934229 /nfs/dbraw/zinc/93/42/29/956934229.db2.gz DKGDGOWUNDIQGJ-UHFFFAOYSA-N 1 0 284.291 1.759 20 5 CDBDRO Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001318497222 958139575 /nfs/dbraw/zinc/13/95/75/958139575.db2.gz XPDPQXFFWPJHDU-ZJUUUORDSA-N 1 0 295.343 1.229 20 5 CDBDRO CCN(CCC[NH+](C)C)c1ncc([N+](=O)[O-])cc1OC ZINC001334216582 958947636 /nfs/dbraw/zinc/94/76/36/958947636.db2.gz DNPZSWWAYLIOHN-UHFFFAOYSA-N 1 0 282.344 1.776 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NCC[N@H+](C)C(C)C ZINC001335424662 959793878 /nfs/dbraw/zinc/79/38/78/959793878.db2.gz WNSURGSQOJQPCI-UHFFFAOYSA-N 1 0 268.317 1.751 20 5 CDBDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CO1 ZINC001335439090 959802718 /nfs/dbraw/zinc/80/27/18/959802718.db2.gz AKMJARNEEHGLKI-SUZMYJTESA-N 1 0 266.297 1.395 20 5 CDBDRO C[C@](O)(C[NH2+]CC[N+](=O)[O-])c1cccc(Cl)c1 ZINC001335998807 960145212 /nfs/dbraw/zinc/14/52/12/960145212.db2.gz BBSOZKMDSUNGND-NSHDSACASA-N 1 0 258.705 1.414 20 5 CDBDRO [NH3+][C@H](CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001340262531 962849029 /nfs/dbraw/zinc/84/90/29/962849029.db2.gz QOZBNGDWEFJGNR-MELADBBJSA-N 1 0 289.335 1.552 20 5 CDBDRO C[C@H](NC(=O)[C@H]([NH3+])CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001340997816 963229610 /nfs/dbraw/zinc/22/96/10/963229610.db2.gz YXSLIPMSMUDYJL-TVQRCGJNSA-N 1 0 277.324 1.899 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001342107286 963639331 /nfs/dbraw/zinc/63/93/31/963639331.db2.gz DLPCCEIUPGSRJJ-LBPRGKRZSA-N 1 0 293.323 1.331 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001342265850 963691540 /nfs/dbraw/zinc/69/15/40/963691540.db2.gz SIBQTYFSAXRABQ-XDTLVQLUSA-N 1 0 277.324 1.422 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001342519938 963756984 /nfs/dbraw/zinc/75/69/84/963756984.db2.gz WOPWBZYXZAJAPZ-BBBLOLIVSA-N 1 0 265.313 1.755 20 5 CDBDRO Cc1cc(NC(=O)[C@]2(C)CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC001346504243 965147000 /nfs/dbraw/zinc/14/70/00/965147000.db2.gz JQQVQSULGVKNPA-CYBMUJFWSA-N 1 0 263.297 1.841 20 5 CDBDRO O=C(NC[C@@H]1CCCCC[NH2+]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001355519791 969188646 /nfs/dbraw/zinc/18/86/46/969188646.db2.gz JOIOCUGTYDNDBG-LBPRGKRZSA-N 1 0 295.314 1.996 20 5 CDBDRO CCc1ccc(C(=O)N[C@H]2C[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC001358476802 969744670 /nfs/dbraw/zinc/74/46/70/969744670.db2.gz VBTBIZPDVFVSTF-OTCDBFHCSA-N 1 0 277.324 1.624 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001515457907 969895325 /nfs/dbraw/zinc/89/53/25/969895325.db2.gz GSTUBXOGZJDLPQ-SECBINFHSA-N 1 0 265.317 1.326 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1O[C@H]1CCC[NH2+]C1 ZINC000149487168 970062690 /nfs/dbraw/zinc/06/26/90/970062690.db2.gz PHFPJKTYZKVUEN-QMMMGPOBSA-N 1 0 257.677 1.774 20 5 CDBDRO Cc1cnc(OC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000090692857 1174188229 /nfs/dbraw/zinc/18/82/29/1174188229.db2.gz ISVABRSRMFNHJA-SNVBAGLBSA-N 1 0 251.286 1.677 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001577172455 1171613694 /nfs/dbraw/zinc/61/36/94/1171613694.db2.gz ZZEXIAORPHQWHA-MWLCHTKSSA-N 1 0 265.313 1.770 20 5 CDBDRO CC(C)[NH2+]CCC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000151710146 342476050 /nfs/dbraw/zinc/47/60/50/342476050.db2.gz SAJWQTFKCHDTDT-UHFFFAOYSA-N 1 0 294.355 1.511 20 5 CDBDRO C[C@@H]1CCC[C@@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000300330013 342466730 /nfs/dbraw/zinc/46/67/30/342466730.db2.gz WYLJVSKMXKAACR-WZRBSPASSA-N 1 0 282.344 1.178 20 5 CDBDRO O=[N+]([O-])c1ccsc1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000601178930 342487926 /nfs/dbraw/zinc/48/79/26/342487926.db2.gz FWAKDXGITPRMGE-SNVBAGLBSA-N 1 0 285.369 1.915 20 5 CDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000590402870 342544041 /nfs/dbraw/zinc/54/40/41/342544041.db2.gz IVAQYYNIYFMVMT-TVQRCGJNSA-N 1 0 295.314 1.899 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000590404211 342544082 /nfs/dbraw/zinc/54/40/82/342544082.db2.gz XQIPCBKAQUEQAX-NXEZZACHSA-N 1 0 280.328 1.098 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601327006 342554057 /nfs/dbraw/zinc/55/40/57/342554057.db2.gz JLEKFWSZVAJUPZ-IUCAKERBSA-N 1 0 251.261 1.280 20 5 CDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])nc1 ZINC000590693297 342583403 /nfs/dbraw/zinc/58/34/03/342583403.db2.gz QUSKTRYFHJSZSA-ZYHUDNBSSA-N 1 0 264.329 1.766 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CCN1Cc1csc([N+](=O)[O-])c1 ZINC000124532829 342065263 /nfs/dbraw/zinc/06/52/63/342065263.db2.gz RAAFKFKDQVSFKK-WCBMZHEXSA-N 1 0 255.343 1.968 20 5 CDBDRO CC[NH2+]CCCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135217723 342070517 /nfs/dbraw/zinc/07/05/17/342070517.db2.gz NPDLEOAQKIGRND-UHFFFAOYSA-N 1 0 265.313 1.253 20 5 CDBDRO CC(C)[NH2+]C1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000609039062 342087851 /nfs/dbraw/zinc/08/78/51/342087851.db2.gz DIILAGWZOXMIAL-UHFFFAOYSA-N 1 0 264.329 1.957 20 5 CDBDRO Cn1c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000608906297 342084228 /nfs/dbraw/zinc/08/42/28/342084228.db2.gz XCLUUHSPOCWHGZ-NSHDSACASA-N 1 0 292.339 1.244 20 5 CDBDRO CNC(=O)c1ccc(N2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000212640382 290627079 /nfs/dbraw/zinc/62/70/79/290627079.db2.gz QDMHIHRRSFNNES-NSHDSACASA-N 1 0 292.339 1.272 20 5 CDBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)[C@H](C)C[NH2+]1 ZINC000591433868 342631443 /nfs/dbraw/zinc/63/14/43/342631443.db2.gz CEENIHWNWZORSS-HTQZYQBOSA-N 1 0 254.265 1.316 20 5 CDBDRO COc1ccc(CNC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591275600 342623884 /nfs/dbraw/zinc/62/38/84/342623884.db2.gz IMYASVPDYGEENY-GFCCVEGCSA-N 1 0 279.340 1.835 20 5 CDBDRO C[NH2+][C@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592425476 342690266 /nfs/dbraw/zinc/69/02/66/342690266.db2.gz DKKWORKXSQFGPS-NSHDSACASA-N 1 0 293.323 1.160 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000592486491 342695841 /nfs/dbraw/zinc/69/58/41/342695841.db2.gz HDRHEGLNLVOOJI-AAEUAGOBSA-N 1 0 297.330 1.605 20 5 CDBDRO C[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CO1 ZINC000592514089 342700696 /nfs/dbraw/zinc/70/06/96/342700696.db2.gz UOMHNUPVGWHMOT-DTWKUNHWSA-N 1 0 276.296 1.738 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000592568238 342706992 /nfs/dbraw/zinc/70/69/92/342706992.db2.gz BQZDNTAJTAQSRA-MNOVXSKESA-N 1 0 294.355 1.273 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000592557645 342709649 /nfs/dbraw/zinc/70/96/49/342709649.db2.gz PKHOCOXVRVRFEP-GHMZBOCLSA-N 1 0 293.323 1.650 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCCC1CC[NH2+]CC1 ZINC000593919535 342851386 /nfs/dbraw/zinc/85/13/86/342851386.db2.gz UCBCWGRLYUQLTK-UHFFFAOYSA-N 1 0 292.339 1.297 20 5 CDBDRO CC[NH2+]CCCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000209213533 342226267 /nfs/dbraw/zinc/22/62/67/342226267.db2.gz UOVQXSGJYFHLLK-HJWRWDBZSA-N 1 0 277.324 1.724 20 5 CDBDRO Nc1nc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)ncc1[N+](=O)[O-] ZINC000594602497 342924271 /nfs/dbraw/zinc/92/42/71/342924271.db2.gz QSXLDDZRHLMWMC-UWVGGRQHSA-N 1 0 292.343 1.226 20 5 CDBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000609383628 342265546 /nfs/dbraw/zinc/26/55/46/342265546.db2.gz XPOYMBDPRHELSM-SNVBAGLBSA-N 1 0 295.364 1.870 20 5 CDBDRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000322623083 342259987 /nfs/dbraw/zinc/25/99/87/342259987.db2.gz SLOLFBFMFNSRAZ-XYPYZODXSA-N 1 0 263.297 1.595 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000092956481 342270556 /nfs/dbraw/zinc/27/05/56/342270556.db2.gz VORRQLDGKDGTKD-MWLCHTKSSA-N 1 0 263.297 1.209 20 5 CDBDRO CCC[C@H]([NH3+])c1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594650554 342932645 /nfs/dbraw/zinc/93/26/45/342932645.db2.gz XSAJHPBQKYYUAF-VIFPVBQESA-N 1 0 262.273 1.370 20 5 CDBDRO COc1ccc(C[NH2+]C/C=C/CO)cc1[N+](=O)[O-] ZINC000594974528 342992429 /nfs/dbraw/zinc/99/24/29/342992429.db2.gz LAYLKYCJYOSAFB-NSCUHMNNSA-N 1 0 252.270 1.242 20 5 CDBDRO CNC(=O)C[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000056493296 349714173 /nfs/dbraw/zinc/71/41/73/349714173.db2.gz AHFUTXLNLRAGJF-UHFFFAOYSA-N 1 0 281.312 1.042 20 5 CDBDRO Cc1c[nH]c(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000594921091 342987237 /nfs/dbraw/zinc/98/72/37/342987237.db2.gz AZDLDXRQBXDCPO-UHFFFAOYSA-N 1 0 276.296 1.795 20 5 CDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C/C=C/CO ZINC000595073134 343002633 /nfs/dbraw/zinc/00/26/33/343002633.db2.gz SGOHTUBRIJDOIT-KXMPLOMGSA-N 1 0 293.323 1.450 20 5 CDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C/C=C\CO ZINC000595072262 343002740 /nfs/dbraw/zinc/00/27/40/343002740.db2.gz RCUFDQZRYYJFFJ-OTDNITJGSA-N 1 0 293.323 1.450 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC(C)(C)[NH3+] ZINC000595233271 343016694 /nfs/dbraw/zinc/01/66/94/343016694.db2.gz KHLCOBNDBPEWJA-UHFFFAOYSA-N 1 0 296.327 1.804 20 5 CDBDRO Cc1noc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000595435645 343060329 /nfs/dbraw/zinc/06/03/29/343060329.db2.gz HOVCZIQQGLBTIB-IONNQARKSA-N 1 0 255.274 1.406 20 5 CDBDRO Cc1noc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000595519759 343074900 /nfs/dbraw/zinc/07/49/00/343074900.db2.gz CDQMSYLERDVRBZ-YPMHNXCESA-N 1 0 295.339 1.778 20 5 CDBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000265294327 362098889 /nfs/dbraw/zinc/09/88/89/362098889.db2.gz KZQSHVHJXMXTAI-JTQLQIEISA-N 1 0 280.328 1.337 20 5 CDBDRO Nc1ccc(N2CCC(CC[NH3+])CC2)nc1[N+](=O)[O-] ZINC000596014451 343218778 /nfs/dbraw/zinc/21/87/78/343218778.db2.gz QLEXEAGOCDFARA-UHFFFAOYSA-N 1 0 265.317 1.137 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000595920880 343192117 /nfs/dbraw/zinc/19/21/17/343192117.db2.gz YTCHLACKEGVWSC-NSHDSACASA-N 1 0 281.312 1.218 20 5 CDBDRO C[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000596133193 343238985 /nfs/dbraw/zinc/23/89/85/343238985.db2.gz FGKVXZUDBCQGHR-SNVBAGLBSA-N 1 0 296.327 1.076 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596248766 343273827 /nfs/dbraw/zinc/27/38/27/343273827.db2.gz YDPLMACYSDWIGO-JTQLQIEISA-N 1 0 292.339 1.224 20 5 CDBDRO Cc1nn(C)c(N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000596335212 343298026 /nfs/dbraw/zinc/29/80/26/343298026.db2.gz HESCDBBVWVLGQS-JTQLQIEISA-N 1 0 281.360 1.921 20 5 CDBDRO C[NH2+]C[C@@H](C)N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000596652805 343371799 /nfs/dbraw/zinc/37/17/99/343371799.db2.gz IBVMNMGAKCHAMO-WDEREUQCSA-N 1 0 294.355 1.509 20 5 CDBDRO C[NH+](C)CCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000090998180 342398269 /nfs/dbraw/zinc/39/82/69/342398269.db2.gz OTBWDJSTGHYCOD-UHFFFAOYSA-N 1 0 294.311 1.525 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C(C)(C)CO ZINC000072665691 349808201 /nfs/dbraw/zinc/80/82/01/349808201.db2.gz GPRJCLKBPXQJML-UHFFFAOYSA-N 1 0 295.339 1.544 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000597603283 343584843 /nfs/dbraw/zinc/58/48/43/343584843.db2.gz BBFIDUWSGDAYAP-JTQLQIEISA-N 1 0 280.328 1.479 20 5 CDBDRO C[NH+](C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000457223426 365785937 /nfs/dbraw/zinc/78/59/37/365785937.db2.gz PLNGGGMEDDQULU-UHFFFAOYSA-N 1 0 271.342 1.726 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000598343827 343771701 /nfs/dbraw/zinc/77/17/01/343771701.db2.gz ZQGONWCYOAOFCB-SECBINFHSA-N 1 0 283.353 1.870 20 5 CDBDRO C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000598646666 343856614 /nfs/dbraw/zinc/85/66/14/343856614.db2.gz WINVFKOECNRMSJ-QWHCGFSZSA-N 1 0 294.351 1.924 20 5 CDBDRO [NH3+][C@@]12CCC[C@H]1CN(CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000598682868 343864185 /nfs/dbraw/zinc/86/41/85/343864185.db2.gz POIYGBWWYNCEMJ-SWLSCSKDSA-N 1 0 291.351 1.787 20 5 CDBDRO O=C(NCC1C[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915374 343919480 /nfs/dbraw/zinc/91/94/80/343919480.db2.gz KUQXLKCRVNMALQ-UHFFFAOYSA-N 1 0 284.703 1.589 20 5 CDBDRO CCOc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)ccc1[N+](=O)[O-] ZINC000599083006 343957638 /nfs/dbraw/zinc/95/76/38/343957638.db2.gz GJTPJQJCOJMXQB-JYAVWHMHSA-N 1 0 291.351 1.990 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599175641 343965549 /nfs/dbraw/zinc/96/55/49/343965549.db2.gz FZBNZXBWNWAEPA-SECBINFHSA-N 1 0 286.719 1.122 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252869106 344086404 /nfs/dbraw/zinc/08/64/04/344086404.db2.gz RTDRGDLOJFGRGP-ZMLRMANQSA-N 1 0 292.339 1.133 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000599999998 344163066 /nfs/dbraw/zinc/16/30/66/344163066.db2.gz JCLNURKUXRSLLO-NHAGDIPZSA-N 1 0 289.335 1.156 20 5 CDBDRO C[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000602074892 344327046 /nfs/dbraw/zinc/32/70/46/344327046.db2.gz UMXWVMSHQCNNHQ-SECBINFHSA-N 1 0 251.286 1.161 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C)[NH+](C)C ZINC000602071162 344332674 /nfs/dbraw/zinc/33/26/74/344332674.db2.gz CAOYFFGNXCREGH-SECBINFHSA-N 1 0 281.312 1.170 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602536004 344471045 /nfs/dbraw/zinc/47/10/45/344471045.db2.gz VGLLLVJGNMDLNP-UHFFFAOYSA-N 1 0 255.249 1.155 20 5 CDBDRO CC[C@@H](C)[C@H](C[NH2+]CCn1cc([N+](=O)[O-])cn1)OC ZINC000602568776 344484582 /nfs/dbraw/zinc/48/45/82/344484582.db2.gz MHOMLRIJSBQVBT-PWSUYJOCSA-N 1 0 270.333 1.442 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000602595419 344502268 /nfs/dbraw/zinc/50/22/68/344502268.db2.gz IJCHULPEQHHMGM-YUMQZZPRSA-N 1 0 267.260 1.296 20 5 CDBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ncnn1C ZINC000602650291 344515936 /nfs/dbraw/zinc/51/59/36/344515936.db2.gz ZLQMYGNSPBHGLX-SNVBAGLBSA-N 1 0 275.312 1.617 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2C[C@@H](CO)C2)cc1 ZINC000602724393 344565349 /nfs/dbraw/zinc/56/53/49/344565349.db2.gz KYAWFKOMQIIGJB-TXEJJXNPSA-N 1 0 250.298 1.498 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2C[C@@H](O)C2)cc1 ZINC000602727064 344567688 /nfs/dbraw/zinc/56/76/88/344567688.db2.gz YYODNUHEDYNBCG-BJHJDKERSA-N 1 0 250.298 1.498 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1cccnc1 ZINC000602801472 344591518 /nfs/dbraw/zinc/59/15/18/344591518.db2.gz DNNBPXIYTRXMOH-JTQLQIEISA-N 1 0 275.312 1.846 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000602778177 344594119 /nfs/dbraw/zinc/59/41/19/344594119.db2.gz CPUYDRGINIJOHW-AOOOYVTPSA-N 1 0 284.385 1.926 20 5 CDBDRO CCC[C@@]1(CO)CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602827250 344612916 /nfs/dbraw/zinc/61/29/16/344612916.db2.gz BXXARIXOTUQKSG-CQSZACIVSA-N 1 0 296.371 1.584 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000602838271 344620116 /nfs/dbraw/zinc/62/01/16/344620116.db2.gz DFTINTRUTRLLDG-WOPDTQHZSA-N 1 0 264.329 1.878 20 5 CDBDRO O=[N+]([O-])c1ccccc1NC[C@@H]1CSCC[NH2+]1 ZINC000603419334 344807784 /nfs/dbraw/zinc/80/77/84/344807784.db2.gz LZTCEVVFICSVKL-SECBINFHSA-N 1 0 253.327 1.712 20 5 CDBDRO [NH3+][C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CC1 ZINC000129186488 362530343 /nfs/dbraw/zinc/53/03/43/362530343.db2.gz OKHIUSPJNPEOSO-LLVKDONJSA-N 1 0 283.715 1.715 20 5 CDBDRO CC[C@@]1(C)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000344240984 362558234 /nfs/dbraw/zinc/55/82/34/362558234.db2.gz RMIFFORLEAJDCN-STQMWFEESA-N 1 0 282.344 1.274 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344245298 362558977 /nfs/dbraw/zinc/55/89/77/362558977.db2.gz RVGZXXAWUMBFGL-UHFFFAOYSA-N 1 0 283.303 1.806 20 5 CDBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000344284337 362561545 /nfs/dbraw/zinc/56/15/45/362561545.db2.gz CNXBYRZMSTWOIM-MVWJERBFSA-N 1 0 282.344 1.440 20 5 CDBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](C)CO ZINC000293493939 362566022 /nfs/dbraw/zinc/56/60/22/362566022.db2.gz SZZOAGAVTNTZMR-VIFPVBQESA-N 1 0 256.277 1.937 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCOCCO)cc1 ZINC000230787545 345452233 /nfs/dbraw/zinc/45/22/33/345452233.db2.gz CTCWTQDVSOMPPH-UHFFFAOYSA-N 1 0 268.313 1.126 20 5 CDBDRO CC[N@H+](C)C[C@H](O)COc1cc(C)ccc1[N+](=O)[O-] ZINC000311404064 345506798 /nfs/dbraw/zinc/50/67/98/345506798.db2.gz AQGNICILPIFWGV-NSHDSACASA-N 1 0 268.313 1.595 20 5 CDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1cccnc1[N+](=O)[O-] ZINC000609670897 345988757 /nfs/dbraw/zinc/98/87/57/345988757.db2.gz RBHUMZAQKGGCDY-LLVKDONJSA-N 1 0 264.329 1.768 20 5 CDBDRO Cc1ccc(NC(=O)[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000075105594 346095938 /nfs/dbraw/zinc/09/59/38/346095938.db2.gz XGPOQIUPNZWQQB-VIFPVBQESA-N 1 0 251.286 1.792 20 5 CDBDRO CCc1ccc(C(=O)NCC[NH2+]CCOC)cc1[N+](=O)[O-] ZINC000236963555 362707136 /nfs/dbraw/zinc/70/71/36/362707136.db2.gz BGXCZOXFFPPPJU-UHFFFAOYSA-N 1 0 295.339 1.123 20 5 CDBDRO C[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000230673885 346555464 /nfs/dbraw/zinc/55/54/64/346555464.db2.gz WYLJVSKMXKAACR-NQBHXWOUSA-N 1 0 282.344 1.178 20 5 CDBDRO Cc1c(C(=O)N[C@@H](C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000068473179 347564850 /nfs/dbraw/zinc/56/48/50/347564850.db2.gz VHZZYRDAQZSSHB-JTQLQIEISA-N 1 0 279.340 1.973 20 5 CDBDRO COCC[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000054361602 347820864 /nfs/dbraw/zinc/82/08/64/347820864.db2.gz ITUNQHLIPYDUDH-UHFFFAOYSA-N 1 0 254.286 1.682 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000086467398 179297328 /nfs/dbraw/zinc/29/73/28/179297328.db2.gz FPCOZYXVIWAJCB-QWRGUYRKSA-N 1 0 277.324 1.726 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)[C@H](C)C[NH2+]1 ZINC000086468097 179298965 /nfs/dbraw/zinc/29/89/65/179298965.db2.gz QMXSMDNSLAPHFE-HTQZYQBOSA-N 1 0 269.326 1.479 20 5 CDBDRO CC1(C)CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000614920848 348274161 /nfs/dbraw/zinc/27/41/61/348274161.db2.gz UGJLPSWUJIGUSD-UHFFFAOYSA-N 1 0 293.367 1.483 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000064537064 348943616 /nfs/dbraw/zinc/94/36/16/348943616.db2.gz MOAUCHSXTREYKQ-JTQLQIEISA-N 1 0 279.296 1.498 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000068590801 349072095 /nfs/dbraw/zinc/07/20/95/349072095.db2.gz SFSUKIPXXOJOPN-LLVKDONJSA-N 1 0 294.355 1.734 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000063114779 350472633 /nfs/dbraw/zinc/47/26/33/350472633.db2.gz AQNVYPMYEGFVLX-MRVPVSSYSA-N 1 0 265.269 1.154 20 5 CDBDRO Cc1nn(C)c(NCC[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000108079100 186202905 /nfs/dbraw/zinc/20/29/05/186202905.db2.gz FQZUBQWRHNVWLX-SNVBAGLBSA-N 1 0 281.360 1.781 20 5 CDBDRO CCC(CC)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000109705774 186270070 /nfs/dbraw/zinc/27/00/70/186270070.db2.gz IHEJKHGYZQRTOJ-UHFFFAOYSA-N 1 0 265.313 1.842 20 5 CDBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000110645888 186308580 /nfs/dbraw/zinc/30/85/80/186308580.db2.gz QVCORFFPTPKIDR-SECBINFHSA-N 1 0 295.314 1.933 20 5 CDBDRO Cc1cc(C(=O)NC2(C[NH3+])CCCC2)ccc1[N+](=O)[O-] ZINC000111831967 186462081 /nfs/dbraw/zinc/46/20/81/186462081.db2.gz VNQKHDAWPGHWJY-UHFFFAOYSA-N 1 0 277.324 1.905 20 5 CDBDRO C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000291723430 198070041 /nfs/dbraw/zinc/07/00/41/198070041.db2.gz IUYJQYFNQJHEGV-SNVBAGLBSA-N 1 0 280.328 1.914 20 5 CDBDRO Cc1nc(N(C)CC(C)(C)C[NH3+])ccc1[N+](=O)[O-] ZINC000124157529 187124676 /nfs/dbraw/zinc/12/46/76/187124676.db2.gz GZWAVWJNKVVZKE-UHFFFAOYSA-N 1 0 252.318 1.719 20 5 CDBDRO CCC[NH2+][C@@H](C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000295161395 199379592 /nfs/dbraw/zinc/37/95/92/199379592.db2.gz KNDXVMFLXLYKMZ-NSHDSACASA-N 1 0 279.340 1.642 20 5 CDBDRO COc1cc(C(=O)N2CCCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000156689519 188276182 /nfs/dbraw/zinc/27/61/82/188276182.db2.gz JYCIAEKUHQODLJ-LLVKDONJSA-N 1 0 293.323 1.557 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000157564924 188324571 /nfs/dbraw/zinc/32/45/71/188324571.db2.gz SLWCQQACEGJFJD-GXFFZTMASA-N 1 0 293.323 1.217 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000292611131 198350796 /nfs/dbraw/zinc/35/07/96/198350796.db2.gz IAKVVIVLBWFMDA-KGLIPLIRSA-N 1 0 280.324 1.533 20 5 CDBDRO Cc1ccc(C(=O)N2CC([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000158332125 188370075 /nfs/dbraw/zinc/37/00/75/188370075.db2.gz HLJKQSPJZCMVOO-UHFFFAOYSA-N 1 0 263.297 1.289 20 5 CDBDRO C[NH2+]CC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000063159543 363236989 /nfs/dbraw/zinc/23/69/89/363236989.db2.gz WCVKDZMJQVPDJU-UHFFFAOYSA-N 1 0 291.351 1.595 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)c(F)c1 ZINC000411994164 363403116 /nfs/dbraw/zinc/40/31/16/363403116.db2.gz MUDFLOFXWYFBFF-RISCZKNCSA-N 1 0 298.314 1.611 20 5 CDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000359222485 356368976 /nfs/dbraw/zinc/36/89/76/356368976.db2.gz RDDYXEMMWNWVDO-SNVBAGLBSA-N 1 0 280.328 1.147 20 5 CDBDRO CSc1ccc(C(=O)N2CC([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000134886923 356448513 /nfs/dbraw/zinc/44/85/13/356448513.db2.gz JEVDXDCVTZVOGT-UHFFFAOYSA-N 1 0 295.364 1.703 20 5 CDBDRO C[C@H]1[NH2+]CC[C@@H]1NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001579504760 1172201276 /nfs/dbraw/zinc/20/12/76/1172201276.db2.gz QPVPUELSHXJOOC-XCBNKYQSSA-N 1 0 279.300 1.049 20 5 CDBDRO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000145023436 356654330 /nfs/dbraw/zinc/65/43/30/356654330.db2.gz NUTHAYVFUGCZOZ-GXFFZTMASA-N 1 0 250.298 1.940 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000262594964 535354559 /nfs/dbraw/zinc/35/45/59/535354559.db2.gz IREJAZPABHOHKE-JTQLQIEISA-N 1 0 294.355 1.733 20 5 CDBDRO Cc1ccc(OC[C@H](O)C[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000290529745 357213264 /nfs/dbraw/zinc/21/32/64/357213264.db2.gz DBQXEOFICQCYDV-GFCCVEGCSA-N 1 0 280.324 1.737 20 5 CDBDRO C[NH2+]C[C@@H](C)CNc1cccc(OC)c1[N+](=O)[O-] ZINC000135058834 357312633 /nfs/dbraw/zinc/31/26/33/357312633.db2.gz GSFUHHWEOGDELR-SECBINFHSA-N 1 0 253.302 1.871 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2F)c1 ZINC000564856901 357445615 /nfs/dbraw/zinc/44/56/15/357445615.db2.gz WYPAJXKPPPWQBT-IJLUTSLNSA-N 1 0 286.307 1.023 20 5 CDBDRO CC(C)([NH3+])CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000236846091 357551965 /nfs/dbraw/zinc/55/19/65/357551965.db2.gz JAOGMPWFBFHYMM-UHFFFAOYSA-N 1 0 280.328 1.250 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000186790222 357690785 /nfs/dbraw/zinc/69/07/85/357690785.db2.gz PZITWBWQCUMSOL-UHFFFAOYSA-N 1 0 277.324 1.761 20 5 CDBDRO COCCN1CC[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000264654877 357760696 /nfs/dbraw/zinc/76/06/96/357760696.db2.gz XTBJYNPAMWUHTJ-CQSZACIVSA-N 1 0 293.367 1.714 20 5 CDBDRO CC(C)NC(=O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566473389 357796522 /nfs/dbraw/zinc/79/65/22/357796522.db2.gz APXLKMBEFABNSL-GFCCVEGCSA-N 1 0 277.324 1.696 20 5 CDBDRO COC(=O)COC[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296157050 199802052 /nfs/dbraw/zinc/80/20/52/199802052.db2.gz WHPMACHDFRDCDR-QWRGUYRKSA-N 1 0 296.323 1.824 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000220304767 358140942 /nfs/dbraw/zinc/14/09/42/358140942.db2.gz ZMPABTGSPHCONA-SNVBAGLBSA-N 1 0 294.355 1.836 20 5 CDBDRO C[C@@H](CO)[N@H+](CCn1ccc([N+](=O)[O-])n1)CC1CCC1 ZINC000361485394 358228685 /nfs/dbraw/zinc/22/86/85/358228685.db2.gz NHUHWMOYVLTDHP-NSHDSACASA-N 1 0 282.344 1.274 20 5 CDBDRO C[N@H+]1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000193637690 358311339 /nfs/dbraw/zinc/31/13/39/358311339.db2.gz RJGIJKDITGCFCK-BETUJISGSA-N 1 0 261.325 1.588 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000264904790 358760845 /nfs/dbraw/zinc/76/08/45/358760845.db2.gz CRMULZQFRDBBMP-SNVBAGLBSA-N 1 0 294.311 1.891 20 5 CDBDRO C[NH+](C)[C@]1(CNc2ncccc2[N+](=O)[O-])CCSC1 ZINC000267146601 358865651 /nfs/dbraw/zinc/86/56/51/358865651.db2.gz ZAYVFYSHRBBZLR-LBPRGKRZSA-N 1 0 282.369 1.839 20 5 CDBDRO Cc1cc(C(=O)N[C@@H](C)[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000381381002 359041272 /nfs/dbraw/zinc/04/12/72/359041272.db2.gz PFSPHEVHOIPNHN-IUCAKERBSA-N 1 0 251.286 1.369 20 5 CDBDRO COc1ccc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000234915094 358990673 /nfs/dbraw/zinc/99/06/73/358990673.db2.gz IEDSAKKCPWNZSF-KOLCDFICSA-N 1 0 293.323 1.474 20 5 CDBDRO C[C@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000342516724 359080006 /nfs/dbraw/zinc/08/00/06/359080006.db2.gz WPARQJQGYNCKMY-CABZTGNLSA-N 1 0 292.339 1.080 20 5 CDBDRO CO[C@@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000451847984 359085396 /nfs/dbraw/zinc/08/53/96/359085396.db2.gz JJAMOIOZLIEJPY-CHWSQXEVSA-N 1 0 294.355 1.681 20 5 CDBDRO C[NH+]1CCC(CNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000127481598 359106190 /nfs/dbraw/zinc/10/61/90/359106190.db2.gz ONMPUOWRRCECEJ-UHFFFAOYSA-N 1 0 291.351 1.595 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000112926354 359365127 /nfs/dbraw/zinc/36/51/27/359365127.db2.gz UPNVOQWNRCZHPH-UHFFFAOYSA-N 1 0 269.276 1.415 20 5 CDBDRO Cc1c(CC(=O)NCC2([NH3+])CCC2)cccc1[N+](=O)[O-] ZINC000342661314 359348914 /nfs/dbraw/zinc/34/89/14/359348914.db2.gz OCTMMWKIPLDBHM-UHFFFAOYSA-N 1 0 277.324 1.443 20 5 CDBDRO O=[N+]([O-])c1cccc(C[N@@H+](CCO)C2CCC2)c1 ZINC000221156147 359464897 /nfs/dbraw/zinc/46/48/97/359464897.db2.gz QBRNWEMKODEIQB-UHFFFAOYSA-N 1 0 250.298 1.942 20 5 CDBDRO [NH3+]CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000236267960 283439491 /nfs/dbraw/zinc/43/94/91/283439491.db2.gz ZKGRMOWQPDAKND-UHFFFAOYSA-N 1 0 250.180 1.379 20 5 CDBDRO CCC[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1OC ZINC000049826034 359499229 /nfs/dbraw/zinc/49/92/29/359499229.db2.gz UMADLWAIOGCYOA-UHFFFAOYSA-N 1 0 268.313 1.808 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000571443525 359573879 /nfs/dbraw/zinc/57/38/79/359573879.db2.gz FVMZEEXZCJUNEC-DTWKUNHWSA-N 1 0 281.312 1.459 20 5 CDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NCC[NH+]1CCC1 ZINC000340305408 359635378 /nfs/dbraw/zinc/63/53/78/359635378.db2.gz ZSBCIMCTISPVSJ-UHFFFAOYSA-N 1 0 292.339 1.142 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000044541535 283458209 /nfs/dbraw/zinc/45/82/09/283458209.db2.gz UPNMJNYLJBSCNK-QMMMGPOBSA-N 1 0 269.326 1.610 20 5 CDBDRO Cc1cc(C(=O)NC[C@H]([NH3+])C2CC2)cc([N+](=O)[O-])c1 ZINC000135569528 359706981 /nfs/dbraw/zinc/70/69/81/359706981.db2.gz WTWYRXXFVQBWBI-LBPRGKRZSA-N 1 0 263.297 1.370 20 5 CDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCc1c[nH]cn1 ZINC000088759166 366612325 /nfs/dbraw/zinc/61/23/25/366612325.db2.gz SANAWSHGHNROOL-UHFFFAOYSA-N 1 0 276.252 1.013 20 5 CDBDRO CC[C@@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)OC ZINC000514784368 360231424 /nfs/dbraw/zinc/23/14/24/360231424.db2.gz KZXHNEXPTFMBGA-ZDUSSCGKSA-N 1 0 294.355 1.537 20 5 CDBDRO C[C@H]([N@H+](C)CCn1cc([N+](=O)[O-])cn1)C1(C)CC1 ZINC000177249621 189038788 /nfs/dbraw/zinc/03/87/88/189038788.db2.gz FSCZQMWAPDRPET-JTQLQIEISA-N 1 0 252.318 1.912 20 5 CDBDRO C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@@H+](C2CCC2)C1 ZINC000572338653 360372385 /nfs/dbraw/zinc/37/23/85/360372385.db2.gz NKFHGUZSWZECFW-NSHDSACASA-N 1 0 293.371 1.639 20 5 CDBDRO Cc1nc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000297205773 360626083 /nfs/dbraw/zinc/62/60/83/360626083.db2.gz RRYUXWIGJWKVOD-ONGXEEELSA-N 1 0 277.328 1.366 20 5 CDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[NH2+]1 ZINC000178764275 189144008 /nfs/dbraw/zinc/14/40/08/189144008.db2.gz PBUMPYIEAXNYTF-SNVBAGLBSA-N 1 0 295.364 1.555 20 5 CDBDRO COC[C@@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000219144622 360807914 /nfs/dbraw/zinc/80/79/14/360807914.db2.gz XLGVEAFDPFAWER-LLVKDONJSA-N 1 0 254.286 1.082 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H](C)[NH2+]1 ZINC000070076073 361238622 /nfs/dbraw/zinc/23/86/22/361238622.db2.gz TVOPSNYRYDKIOY-YUMQZZPRSA-N 1 0 269.326 1.479 20 5 CDBDRO C[NH+](C)CCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000035099597 361240899 /nfs/dbraw/zinc/24/08/99/361240899.db2.gz TVHGEZCMLAUQAE-UHFFFAOYSA-N 1 0 269.330 1.668 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COC[C@H]2O)cc1[N+](=O)[O-] ZINC000295835506 370682594 /nfs/dbraw/zinc/68/25/94/370682594.db2.gz DAIBJHXKOMYXKR-UFGOTCBOSA-N 1 0 266.297 1.314 20 5 CDBDRO Cc1nc(N2CC[C@H]3CC[N@@H+](C)C[C@H]32)ncc1[N+](=O)[O-] ZINC000294860408 361492895 /nfs/dbraw/zinc/49/28/95/361492895.db2.gz CZRSWTJRLCMYHY-ZYHUDNBSSA-N 1 0 277.328 1.224 20 5 CDBDRO Cc1nc(N(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000302018437 201300197 /nfs/dbraw/zinc/30/01/97/201300197.db2.gz MNRUMXFDHWIFGN-UHFFFAOYSA-N 1 0 252.318 1.686 20 5 CDBDRO CN(CCCN1CC[NH+](C)CC1)c1sccc1[N+](=O)[O-] ZINC000302047121 201317930 /nfs/dbraw/zinc/31/79/30/201317930.db2.gz YRFSQNSWJVJOHE-UHFFFAOYSA-N 1 0 298.412 1.730 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000063733261 363946336 /nfs/dbraw/zinc/94/63/36/363946336.db2.gz XCWPZCYKBGZILV-JTQLQIEISA-N 1 0 292.339 1.391 20 5 CDBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](C)C1 ZINC000580463913 363919328 /nfs/dbraw/zinc/91/93/28/363919328.db2.gz CVKYPZAUEVCRSG-AOOOYVTPSA-N 1 0 280.328 1.478 20 5 CDBDRO C[N@@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000581019992 363962415 /nfs/dbraw/zinc/96/24/15/363962415.db2.gz QANJYPBTOYCKNV-UHFFFAOYSA-N 1 0 293.367 2.000 20 5 CDBDRO COc1cc(C[NH2+][C@@H](C)C[C@@H](C)O)c([N+](=O)[O-])cc1O ZINC000361030271 363973559 /nfs/dbraw/zinc/97/35/59/363973559.db2.gz JYOGQXAJDCGWAR-DTWKUNHWSA-N 1 0 284.312 1.558 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C[N@@H+]1C1CC1 ZINC000268038921 364080528 /nfs/dbraw/zinc/08/05/28/364080528.db2.gz XLRAUOMKXQLNCF-DTWKUNHWSA-N 1 0 278.312 1.278 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000268151877 364367672 /nfs/dbraw/zinc/36/76/72/364367672.db2.gz MGRTWRNBBFVHEF-SECBINFHSA-N 1 0 283.303 1.804 20 5 CDBDRO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000035011996 364615756 /nfs/dbraw/zinc/61/57/56/364615756.db2.gz SMNCVLWQCXMUBS-SNVBAGLBSA-N 1 0 265.313 1.517 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N(CC[NH+](C)C)Cc1ccco1 ZINC000268325145 364731192 /nfs/dbraw/zinc/73/11/92/364731192.db2.gz NZISNIATLPHZAX-UHFFFAOYSA-N 1 0 293.327 1.490 20 5 CDBDRO C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000111749239 364961666 /nfs/dbraw/zinc/96/16/66/364961666.db2.gz HTGHYYKMBRRLSQ-HTQZYQBOSA-N 1 0 269.326 1.479 20 5 CDBDRO Cc1c(C(=O)NCC2=CC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000271935962 365015998 /nfs/dbraw/zinc/01/59/98/365015998.db2.gz WBORJRVPALARGF-UHFFFAOYSA-N 1 0 289.335 1.895 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000414659022 241305216 /nfs/dbraw/zinc/30/52/16/241305216.db2.gz MFUIVGTVCNDVRN-LLVKDONJSA-N 1 0 294.311 1.013 20 5 CDBDRO Cc1cc(NC(=O)NC[C@H]([NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000415430313 241681618 /nfs/dbraw/zinc/68/16/18/241681618.db2.gz JMOGAYJFWFOZMM-NSHDSACASA-N 1 0 278.312 1.762 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCCCO1 ZINC000090519078 367568377 /nfs/dbraw/zinc/56/83/77/367568377.db2.gz HNWZTNZAYVBGCO-CYBMUJFWSA-N 1 0 295.339 1.257 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417236027 242375492 /nfs/dbraw/zinc/37/54/92/242375492.db2.gz SMOAJIALTFYLJG-LLVKDONJSA-N 1 0 294.355 1.435 20 5 CDBDRO CC[N@@H+]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000272718305 367806733 /nfs/dbraw/zinc/80/67/33/367806733.db2.gz MFFIEPKGQDBUPJ-UHFFFAOYSA-N 1 0 293.327 1.549 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1cc(F)ccc1[N+](=O)[O-] ZINC000053252962 283994554 /nfs/dbraw/zinc/99/45/54/283994554.db2.gz VHFWPVRWJHJKQY-SECBINFHSA-N 1 0 267.260 1.216 20 5 CDBDRO C[C@]1(CO)CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000546810746 367950716 /nfs/dbraw/zinc/95/07/16/367950716.db2.gz LDYXAMSGFYWIJO-CQSZACIVSA-N 1 0 280.324 1.820 20 5 CDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCCC[NH3+] ZINC000418512877 243163625 /nfs/dbraw/zinc/16/36/25/243163625.db2.gz RIRYEFSBGZKOIL-UHFFFAOYSA-N 1 0 294.355 1.518 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000418477953 243127307 /nfs/dbraw/zinc/12/73/07/243127307.db2.gz VZEAHKCWZUPCBX-SNVBAGLBSA-N 1 0 280.328 1.331 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000418562987 243215358 /nfs/dbraw/zinc/21/53/58/243215358.db2.gz RUQQJRCPXWWJTK-LLVKDONJSA-N 1 0 294.355 1.516 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3CC[NH2+]C3)c21 ZINC000420150536 243888377 /nfs/dbraw/zinc/88/83/77/243888377.db2.gz KTTLHPVDVDYPGQ-MRVPVSSYSA-N 1 0 259.269 1.312 20 5 CDBDRO C[C@H](C[NH3+])N(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420293264 244035669 /nfs/dbraw/zinc/03/56/69/244035669.db2.gz QQIFQVDYMMQYOI-SNVBAGLBSA-N 1 0 280.328 1.202 20 5 CDBDRO O=[N+]([O-])c1cccc(OCCN2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000420344048 244116584 /nfs/dbraw/zinc/11/65/84/244116584.db2.gz RUZRZUCVLVBMMX-SWLSCSKDSA-N 1 0 291.351 1.657 20 5 CDBDRO C[NH+]1CCC(C)(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000330762057 203202234 /nfs/dbraw/zinc/20/22/34/203202234.db2.gz ODALHAVAJLALKP-UHFFFAOYSA-N 1 0 280.328 1.385 20 5 CDBDRO C[C@@H](CC[NH+](C)C)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420579146 244264249 /nfs/dbraw/zinc/26/42/49/244264249.db2.gz CHWTWZLWQMATGQ-VIFPVBQESA-N 1 0 280.328 1.446 20 5 CDBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@]1(CO)CCOC1 ZINC000330815015 203268622 /nfs/dbraw/zinc/26/86/22/203268622.db2.gz QKCJRHWVBBFMQJ-CYBMUJFWSA-N 1 0 266.297 1.178 20 5 CDBDRO CCN(CCC[NH+]1CCCC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000276292528 193273828 /nfs/dbraw/zinc/27/38/28/193273828.db2.gz YUWWLERZQFZMQO-UHFFFAOYSA-N 1 0 294.359 1.279 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000295282909 369851504 /nfs/dbraw/zinc/85/15/04/369851504.db2.gz SZCUYQFZRKIKHD-QMMMGPOBSA-N 1 0 266.301 1.034 20 5 CDBDRO COC(=O)COc1ccc(C[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000037703294 369971600 /nfs/dbraw/zinc/97/16/00/369971600.db2.gz HYDZBZPHXKDTFL-UHFFFAOYSA-N 1 0 282.296 1.645 20 5 CDBDRO O=[N+]([O-])c1ccc(CNCC[C@H]2CCC[NH2+]2)c(F)c1 ZINC000414900944 371035069 /nfs/dbraw/zinc/03/50/69/371035069.db2.gz FIRKYQRVJIKFPR-LLVKDONJSA-N 1 0 267.304 1.966 20 5 CDBDRO COc1cc(C(=O)NC[C@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1C ZINC000422783015 245251666 /nfs/dbraw/zinc/25/16/66/245251666.db2.gz KKOJZFDEDNDPBV-LLVKDONJSA-N 1 0 293.323 1.394 20 5 CDBDRO O=C1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)CN1C1CC1 ZINC000520415593 371904844 /nfs/dbraw/zinc/90/48/44/371904844.db2.gz RYMSDMDIQLOMFW-SECBINFHSA-N 1 0 295.364 1.757 20 5 CDBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000269635528 373238808 /nfs/dbraw/zinc/23/88/08/373238808.db2.gz HGUFBRHZDGWUIY-FZMZJTMJSA-N 1 0 280.324 1.597 20 5 CDBDRO Cc1cc(C(=O)NCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000121824662 373483509 /nfs/dbraw/zinc/48/35/09/373483509.db2.gz QCZTYZFQSKBKPG-UHFFFAOYSA-N 1 0 251.286 1.195 20 5 CDBDRO CC[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272951091 373603796 /nfs/dbraw/zinc/60/37/96/373603796.db2.gz PYHRNCBBXOLKMT-SNVBAGLBSA-N 1 0 286.353 1.757 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH3+])c1 ZINC000441621945 373715684 /nfs/dbraw/zinc/71/56/84/373715684.db2.gz PSKKTXRCVRSEGR-SECBINFHSA-N 1 0 251.286 1.228 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)C[NH3+] ZINC000415477081 373825967 /nfs/dbraw/zinc/82/59/67/373825967.db2.gz AIUKGQFQHAWHNO-QMMMGPOBSA-N 1 0 280.328 1.928 20 5 CDBDRO C[N@@H+]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269701475 373848785 /nfs/dbraw/zinc/84/87/85/373848785.db2.gz MENMHJLMHMXFGK-CQSZACIVSA-N 1 0 279.340 1.266 20 5 CDBDRO Cc1c(CC(=O)N[C@@H](C)CCC[NH3+])cccc1[N+](=O)[O-] ZINC000423667462 245967280 /nfs/dbraw/zinc/96/72/80/245967280.db2.gz AYRDSUZCIOAQGK-JTQLQIEISA-N 1 0 279.340 1.689 20 5 CDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000123181129 373987946 /nfs/dbraw/zinc/98/79/46/373987946.db2.gz FPSWUWGZTQZCQT-LBPRGKRZSA-N 1 0 291.351 1.975 20 5 CDBDRO CC(C)[C@H](C[NH3+])C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423731706 246010061 /nfs/dbraw/zinc/01/00/61/246010061.db2.gz YCKMWIBXQQIESC-JTQLQIEISA-N 1 0 291.311 1.062 20 5 CDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[N@@H+]1CCC[C@H](C)C1 ZINC000299043800 374323880 /nfs/dbraw/zinc/32/38/80/374323880.db2.gz SAAZLUXQBFDMPU-WDEREUQCSA-N 1 0 294.355 1.773 20 5 CDBDRO C[NH2+]CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423197893 374372618 /nfs/dbraw/zinc/37/26/18/374372618.db2.gz BVEUUJVRBPIQCR-NWDGAFQWSA-N 1 0 281.360 1.474 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000370082828 374377233 /nfs/dbraw/zinc/37/72/33/374377233.db2.gz OMWQQPMDHGKUQT-HUUCEWRRSA-N 1 0 292.335 1.475 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000424036661 246300821 /nfs/dbraw/zinc/30/08/21/246300821.db2.gz VHTSDNBOZBJURK-UHFFFAOYSA-N 1 0 297.380 1.998 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000376683913 374567081 /nfs/dbraw/zinc/56/70/81/374567081.db2.gz YLHVKBFZBGYZQA-GWCFXTLKSA-N 1 0 275.308 1.419 20 5 CDBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000070148905 374651185 /nfs/dbraw/zinc/65/11/85/374651185.db2.gz XYPIVVKKJBNHSV-LBPRGKRZSA-N 1 0 277.324 1.938 20 5 CDBDRO Cc1ccc(NC(=O)CC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000070314840 374661295 /nfs/dbraw/zinc/66/12/95/374661295.db2.gz LXTUSPWUAFHTJK-SECBINFHSA-N 1 0 251.286 1.969 20 5 CDBDRO C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000154772039 374749712 /nfs/dbraw/zinc/74/97/12/374749712.db2.gz QCBJMLALCMLGGL-BXKDBHETSA-N 1 0 283.303 1.865 20 5 CDBDRO CCc1nnc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000449347492 374801403 /nfs/dbraw/zinc/80/14/03/374801403.db2.gz IGDIKWXDWFRMPW-JTQLQIEISA-N 1 0 289.339 1.996 20 5 CDBDRO CO[C@@H]1CCCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000278397609 374842383 /nfs/dbraw/zinc/84/23/83/374842383.db2.gz FRLVAXSDYFEHCN-GHMZBOCLSA-N 1 0 268.317 1.339 20 5 CDBDRO C[C@]1(C(N)=O)CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000280120402 374982745 /nfs/dbraw/zinc/98/27/45/374982745.db2.gz BOYJWCPQADMOON-NSHDSACASA-N 1 0 269.326 1.354 20 5 CDBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332681877 375041989 /nfs/dbraw/zinc/04/19/89/375041989.db2.gz SYWBFPBYTKJSRA-CQSZACIVSA-N 1 0 296.371 1.701 20 5 CDBDRO CS[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000282222474 375073181 /nfs/dbraw/zinc/07/31/81/375073181.db2.gz ODVJLHJWWWGNGX-OLZOCXBDSA-N 1 0 296.396 1.659 20 5 CDBDRO CCC[C@H](O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283849563 375125546 /nfs/dbraw/zinc/12/55/46/375125546.db2.gz BDSGBXZFISGMJJ-KOLCDFICSA-N 1 0 267.329 1.989 20 5 CDBDRO C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC(C)(C)O1 ZINC000131346830 375241410 /nfs/dbraw/zinc/24/14/10/375241410.db2.gz KHDNOEAERMAZNI-NSHDSACASA-N 1 0 295.339 1.256 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000132016473 375395530 /nfs/dbraw/zinc/39/55/30/375395530.db2.gz LQMVHAQXVZVDOV-DTWKUNHWSA-N 1 0 281.287 1.543 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000129438285 375563156 /nfs/dbraw/zinc/56/31/56/375563156.db2.gz LCVYIGJQRVOSFB-VIFPVBQESA-N 1 0 266.301 1.572 20 5 CDBDRO CCCCN(CC(N)=O)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000058137581 375667956 /nfs/dbraw/zinc/66/79/56/375667956.db2.gz RZWSUAGIGFZDQC-UHFFFAOYSA-N 1 0 283.303 1.821 20 5 CDBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)ccc1[N+](=O)[O-] ZINC000307909686 375896303 /nfs/dbraw/zinc/89/63/03/375896303.db2.gz GKSSFJFJHDYOQP-GFCCVEGCSA-N 1 0 293.323 1.474 20 5 CDBDRO C[N@@H+]1CC[C@](O)(CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000358302204 375960635 /nfs/dbraw/zinc/96/06/35/375960635.db2.gz JKVKMEITVRSMGQ-LBPRGKRZSA-N 1 0 269.276 1.212 20 5 CDBDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000188479048 376051616 /nfs/dbraw/zinc/05/16/16/376051616.db2.gz DGNJTMIRMDODOD-SNVBAGLBSA-N 1 0 265.313 1.551 20 5 CDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C[NH3+])C1 ZINC000430965394 247742543 /nfs/dbraw/zinc/74/25/43/247742543.db2.gz LEUPPNULZNMIDY-GHMZBOCLSA-N 1 0 292.339 1.202 20 5 CDBDRO C[C@@H]1[NH2+]CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000436052204 248218763 /nfs/dbraw/zinc/21/87/63/248218763.db2.gz CGIHWYWFLCAWNQ-RYUDHWBXSA-N 1 0 279.340 1.656 20 5 CDBDRO CCN(CCC[NH+](C)C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000188882838 377100227 /nfs/dbraw/zinc/10/02/27/377100227.db2.gz QWOQPJNPGPQGNU-UHFFFAOYSA-N 1 0 294.355 1.591 20 5 CDBDRO COc1cc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)ccc1[N+](=O)[O-] ZINC000189302448 377227088 /nfs/dbraw/zinc/22/70/88/377227088.db2.gz GNDWUVSSZPVHMW-GXSJLCMTSA-N 1 0 293.323 1.474 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000441592420 249890059 /nfs/dbraw/zinc/89/00/59/249890059.db2.gz AQRGTTFYVAQHCE-JTQLQIEISA-N 1 0 279.340 1.583 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCOC3)nc2c1 ZINC000278661835 194090490 /nfs/dbraw/zinc/09/04/90/194090490.db2.gz KRNVMZOSILKOGE-MRVPVSSYSA-N 1 0 262.269 1.350 20 5 CDBDRO CCOCC[C@@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000444642263 250157436 /nfs/dbraw/zinc/15/74/36/250157436.db2.gz STZAGFOPTOHBGE-OAHLLOKOSA-N 1 0 294.351 1.740 20 5 CDBDRO Cc1cn[nH]c1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000289465687 197361233 /nfs/dbraw/zinc/36/12/33/197361233.db2.gz INEUSCFHWJWHGD-UHFFFAOYSA-N 1 0 260.297 1.959 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CCOCC3)nc2c1 ZINC000446845323 250318963 /nfs/dbraw/zinc/31/89/63/250318963.db2.gz MBSNEDSBJMDDEV-UHFFFAOYSA-N 1 0 276.296 1.740 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000449640280 250945747 /nfs/dbraw/zinc/94/57/47/250945747.db2.gz AXPITJJPNMZDIQ-SKDRFNHKSA-N 1 0 295.314 1.981 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000450219268 251178135 /nfs/dbraw/zinc/17/81/35/251178135.db2.gz VXPYXTNNUMHVHG-SNVBAGLBSA-N 1 0 292.339 1.590 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000382453494 412953649 /nfs/dbraw/zinc/95/36/49/412953649.db2.gz OUFWLSHGJAVFFN-JQWIXIFHSA-N 1 0 277.324 1.760 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453366812 252306370 /nfs/dbraw/zinc/30/63/70/252306370.db2.gz OPNOFNUROREKDQ-ZMLRMANQSA-N 1 0 277.324 1.899 20 5 CDBDRO C[C@@H]1C[N@H+](C)CCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491577627 253092121 /nfs/dbraw/zinc/09/21/21/253092121.db2.gz YLOYPKRJPCWRBI-ZHRWSRJISA-N 1 0 289.335 1.771 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493631377 253512874 /nfs/dbraw/zinc/51/28/74/253512874.db2.gz UCMIWNFCJYVROH-LVCFMKKZSA-N 1 0 281.287 1.601 20 5 CDBDRO C[C@H]1OCC[C@@]1(C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494226631 253606986 /nfs/dbraw/zinc/60/69/86/253606986.db2.gz IYYHUANPBZBGKZ-QMTHXVAHSA-N 1 0 293.323 1.690 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000493916906 253583493 /nfs/dbraw/zinc/58/34/93/253583493.db2.gz NSZNNKGQVRKTBQ-RKDXNWHRSA-N 1 0 281.312 1.203 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289234402 197270576 /nfs/dbraw/zinc/27/05/76/197270576.db2.gz MHIFXLGJANBBQA-HNNXBMFYSA-N 1 0 289.335 1.811 20 5 CDBDRO COCCOCC[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000289062597 197225216 /nfs/dbraw/zinc/22/52/16/197225216.db2.gz RHAFVTJJFOUQPL-AWEZNQCLSA-N 1 0 298.339 1.223 20 5 CDBDRO O=[N+]([O-])c1cnc(NCC2CC[NH+](CCO)CC2)c(F)c1 ZINC000413132783 413018641 /nfs/dbraw/zinc/01/86/41/413018641.db2.gz PAYLZYKJCXDUQE-UHFFFAOYSA-N 1 0 298.318 1.245 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000163242147 390180227 /nfs/dbraw/zinc/18/02/27/390180227.db2.gz MADAVFSBTRAPQG-WCBMZHEXSA-N 1 0 255.343 1.825 20 5 CDBDRO CC(C)[C@H](C[NH3+])C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000433151276 390496676 /nfs/dbraw/zinc/49/66/76/390496676.db2.gz NPWADWHYNFEUTB-NSHDSACASA-N 1 0 277.324 1.715 20 5 CDBDRO C[N@@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000550116060 390459623 /nfs/dbraw/zinc/45/96/23/390459623.db2.gz MQCIYUJEJAMHJP-UHFFFAOYSA-N 1 0 291.351 1.690 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)n1 ZINC000451424966 390618644 /nfs/dbraw/zinc/61/86/44/390618644.db2.gz SYYAZAAFDRUDRI-JHJVBQTASA-N 1 0 294.355 1.417 20 5 CDBDRO CC(C)[C@](C)([NH2+]Cc1ccccc1[N+](=O)[O-])C(N)=O ZINC000289326684 390813042 /nfs/dbraw/zinc/81/30/42/390813042.db2.gz KOTDXXCODHTILD-ZDUSSCGKSA-N 1 0 265.313 1.584 20 5 CDBDRO O=[N+]([O-])c1cnc(NCC[NH+]2CCCC2)c(F)c1 ZINC000517222500 390968700 /nfs/dbraw/zinc/96/87/00/390968700.db2.gz GNBGCXBIYOYEOD-UHFFFAOYSA-N 1 0 254.265 1.637 20 5 CDBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000165544271 390970859 /nfs/dbraw/zinc/97/08/59/390970859.db2.gz IEGVIJJLLNJOGG-SECBINFHSA-N 1 0 299.714 1.048 20 5 CDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000408067743 391232987 /nfs/dbraw/zinc/23/29/87/391232987.db2.gz NXXYQKOQBCFNTJ-IUCAKERBSA-N 1 0 295.368 1.833 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[NH2+]CC1 ZINC000415509556 391468492 /nfs/dbraw/zinc/46/84/92/391468492.db2.gz WTEPXCZYWCMTDL-UHFFFAOYSA-N 1 0 294.311 1.431 20 5 CDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415628936 391469623 /nfs/dbraw/zinc/46/96/23/391469623.db2.gz HCFFMCRJECFPRV-WCBMZHEXSA-N 1 0 296.302 1.983 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415632959 391470117 /nfs/dbraw/zinc/47/01/17/391470117.db2.gz PNYCXLJGYSUONO-ZETCQYMHSA-N 1 0 270.264 1.593 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000567915747 391547078 /nfs/dbraw/zinc/54/70/78/391547078.db2.gz LUYIAUWTUXHRKN-SNVBAGLBSA-N 1 0 292.339 1.378 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)C1CC1 ZINC000449059112 391670832 /nfs/dbraw/zinc/67/08/32/391670832.db2.gz AGCVDYIWOMEDPQ-NSHDSACASA-N 1 0 291.351 1.642 20 5 CDBDRO [NH3+][C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000237973281 391711635 /nfs/dbraw/zinc/71/16/35/391711635.db2.gz WPIMBMNEMXDALS-NSHDSACASA-N 1 0 292.339 1.250 20 5 CDBDRO CNC(=O)CC[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266739867 392093075 /nfs/dbraw/zinc/09/30/75/392093075.db2.gz NEOMOACVAQBRAI-JTQLQIEISA-N 1 0 265.313 1.724 20 5 CDBDRO COc1cc(CNC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1O ZINC000237111669 131004802 /nfs/dbraw/zinc/00/48/02/131004802.db2.gz DDMBILFBTMROKS-UHFFFAOYSA-N 1 0 295.339 1.493 20 5 CDBDRO C[NH2+]CC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000237222484 131014830 /nfs/dbraw/zinc/01/48/30/131014830.db2.gz FDYZQFZOLVORDN-UHFFFAOYSA-N 1 0 280.328 1.041 20 5 CDBDRO Cc1c(CC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000237440139 131031069 /nfs/dbraw/zinc/03/10/69/131031069.db2.gz FRZNGFPPCFDMPY-MNOVXSKESA-N 1 0 291.351 1.655 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000237598050 131045083 /nfs/dbraw/zinc/04/50/83/131045083.db2.gz XUQDFAFYHBNTOU-LLVKDONJSA-N 1 0 294.355 1.593 20 5 CDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000237994675 131072208 /nfs/dbraw/zinc/07/22/08/131072208.db2.gz RFYFGQHACMMNTP-LLVKDONJSA-N 1 0 293.323 1.089 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000238090912 131076731 /nfs/dbraw/zinc/07/67/31/131076731.db2.gz VQKFATFOQVBUQZ-LLVKDONJSA-N 1 0 283.715 1.715 20 5 CDBDRO [NH3+]CC1(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCCC1 ZINC000262246882 131204819 /nfs/dbraw/zinc/20/48/19/131204819.db2.gz SFUUBYXEGMZZFS-UHFFFAOYSA-N 1 0 279.296 1.302 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000442606663 392436077 /nfs/dbraw/zinc/43/60/77/392436077.db2.gz QHPZGCFKHIZHCZ-NSHDSACASA-N 1 0 292.339 1.499 20 5 CDBDRO CC(C)C[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273659768 392751644 /nfs/dbraw/zinc/75/16/44/392751644.db2.gz VWNWIDRXELZUEZ-UHFFFAOYSA-N 1 0 265.317 1.163 20 5 CDBDRO Cc1cc(C(=O)NCC[N@H+]2CC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000524775396 392919339 /nfs/dbraw/zinc/91/93/39/392919339.db2.gz JZWUXJMVSNDRER-NSHDSACASA-N 1 0 291.351 1.975 20 5 CDBDRO Cc1c(CNC(=O)N[C@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000418054738 392875653 /nfs/dbraw/zinc/87/56/53/392875653.db2.gz AFTVIXRVNWIADB-GFCCVEGCSA-N 1 0 292.339 1.440 20 5 CDBDRO C[N@@H+]1CC[C@H](C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000522242377 392876351 /nfs/dbraw/zinc/87/63/51/392876351.db2.gz FFJBQZPWKASDKM-NSHDSACASA-N 1 0 263.297 1.163 20 5 CDBDRO Cc1cc(N(C)C2C[NH2+]C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420264767 392918012 /nfs/dbraw/zinc/91/80/12/392918012.db2.gz URUYCSKQJMJNSM-UHFFFAOYSA-N 1 0 299.334 1.768 20 5 CDBDRO C[C@]1(F)C[NH2+]CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000420331310 392918082 /nfs/dbraw/zinc/91/80/82/392918082.db2.gz MFCNHPWUJGLFFE-ZDUSSCGKSA-N 1 0 285.294 1.867 20 5 CDBDRO CC(=O)N[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000420989670 392924542 /nfs/dbraw/zinc/92/45/42/392924542.db2.gz SEXGAXFAKNVWMG-GFCCVEGCSA-N 1 0 293.323 1.184 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000421706868 392942098 /nfs/dbraw/zinc/94/20/98/392942098.db2.gz WAGVNPJFZFAXOS-VIFPVBQESA-N 1 0 267.285 1.354 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423669906 392965328 /nfs/dbraw/zinc/96/53/28/392965328.db2.gz AEMCPYBJFHFAMG-BDAKNGLRSA-N 1 0 288.307 1.609 20 5 CDBDRO CC[C@@]1(O)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000425932051 393033500 /nfs/dbraw/zinc/03/35/00/393033500.db2.gz OJJHOXAMXOEAMW-CQSZACIVSA-N 1 0 264.325 1.984 20 5 CDBDRO COc1ccc(CNC(=O)[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000429914999 393088771 /nfs/dbraw/zinc/08/87/71/393088771.db2.gz WPWWCTHZNVAGJD-CQSZACIVSA-N 1 0 293.323 1.219 20 5 CDBDRO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1O ZINC000430197951 393090376 /nfs/dbraw/zinc/09/03/76/393090376.db2.gz XEPYNUHOLTUSLR-ZWNOBZJWSA-N 1 0 280.324 1.806 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C)C[C@H]1C ZINC000430242185 393095620 /nfs/dbraw/zinc/09/56/20/393095620.db2.gz RGJCPJZWIDBXFS-LLVKDONJSA-N 1 0 279.340 1.739 20 5 CDBDRO CC(C)[C@](C)(C[NH3+])NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000430552507 393100476 /nfs/dbraw/zinc/10/04/76/393100476.db2.gz RTJGKOOSZQFJFL-AWEZNQCLSA-N 1 0 294.355 1.496 20 5 CDBDRO C[NH2+][C@@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430592902 393102934 /nfs/dbraw/zinc/10/29/34/393102934.db2.gz NUWDDYSKLJMDOD-CMPLNLGQSA-N 1 0 292.339 1.216 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1C[NH3+] ZINC000430592810 393103273 /nfs/dbraw/zinc/10/32/73/393103273.db2.gz HZSDTKJCAXZYGG-GFCCVEGCSA-N 1 0 292.339 1.265 20 5 CDBDRO C[NH2+][C@H]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430621811 393103348 /nfs/dbraw/zinc/10/33/48/393103348.db2.gz KHDDKZAEKKZZHP-QWRGUYRKSA-N 1 0 292.339 1.216 20 5 CDBDRO [NH3+]C[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430954064 393108043 /nfs/dbraw/zinc/10/80/43/393108043.db2.gz DGSYTFLHHXSFRX-NSHDSACASA-N 1 0 265.313 1.254 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCOC1 ZINC000449215896 393131722 /nfs/dbraw/zinc/13/17/22/393131722.db2.gz ZJDOTYIWTMQVCV-FZMZJTMJSA-N 1 0 280.324 1.267 20 5 CDBDRO CCOC[C@@H](O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449165801 393131756 /nfs/dbraw/zinc/13/17/56/393131756.db2.gz XMGJSBIEPJALIL-YPMHNXCESA-N 1 0 282.340 1.513 20 5 CDBDRO [NH3+]C1(CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000493662914 393217261 /nfs/dbraw/zinc/21/72/61/393217261.db2.gz PXWHWODETLFKCA-HYXAFXHYSA-N 1 0 293.298 1.745 20 5 CDBDRO Cc1cnc(N2CCC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000227346041 393224438 /nfs/dbraw/zinc/22/44/38/393224438.db2.gz SLAZWPNJQOVSPT-QWRGUYRKSA-N 1 0 264.329 1.862 20 5 CDBDRO Cc1cccc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c1[N+](=O)[O-] ZINC000132028196 393211092 /nfs/dbraw/zinc/21/10/92/393211092.db2.gz JVXQSESDZOTNJB-WDEREUQCSA-N 1 0 277.324 1.713 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000226576601 140180863 /nfs/dbraw/zinc/18/08/63/140180863.db2.gz IDVJIWNSAZYGQO-JTQLQIEISA-N 1 0 260.240 1.619 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000131878856 139844496 /nfs/dbraw/zinc/84/44/96/139844496.db2.gz PHJKBDQIRPPUPP-QWRGUYRKSA-N 1 0 277.324 1.713 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CC[NH2+]C1 ZINC000133802668 139872591 /nfs/dbraw/zinc/87/25/91/139872591.db2.gz MLMDSHHQBFZUBK-SECBINFHSA-N 1 0 253.306 1.141 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193539820 140146597 /nfs/dbraw/zinc/14/65/97/140146597.db2.gz IORQIQZVQIIOJI-JOYOIKCWSA-N 1 0 278.312 1.169 20 5 CDBDRO CCOc1cc(NCC[NH2+]CCOC)ccc1[N+](=O)[O-] ZINC000216284826 140161931 /nfs/dbraw/zinc/16/19/31/140161931.db2.gz BWHQFUOWPJMKQM-UHFFFAOYSA-N 1 0 283.328 1.641 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000229582387 140202241 /nfs/dbraw/zinc/20/22/41/140202241.db2.gz GIKWHSQYVFIDMX-WDEREUQCSA-N 1 0 277.324 1.774 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000229590368 140202778 /nfs/dbraw/zinc/20/27/78/140202778.db2.gz ZLPDGFUMELDSNW-BXKDBHETSA-N 1 0 278.312 1.857 20 5 CDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000250770799 140305572 /nfs/dbraw/zinc/30/55/72/140305572.db2.gz ZKTBAZJRNDRDJJ-URLYPYJESA-N 1 0 281.699 1.196 20 5 CDBDRO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000251665579 140311182 /nfs/dbraw/zinc/31/11/82/140311182.db2.gz LFYIAAIWSLTZDK-BXUZGUMPSA-N 1 0 264.325 1.840 20 5 CDBDRO CNC(=O)CC[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255515158 140336463 /nfs/dbraw/zinc/33/64/63/140336463.db2.gz QBPODRSFFSLTSB-ALCCZGGFSA-N 1 0 277.324 1.676 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)s1 ZINC000261540678 140344120 /nfs/dbraw/zinc/34/41/20/140344120.db2.gz AIMZZBQHEIEYTR-YUMQZZPRSA-N 1 0 254.315 1.240 20 5 CDBDRO C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000261549450 140345219 /nfs/dbraw/zinc/34/52/19/140345219.db2.gz IZJZGMSJSOYHMK-LDYMZIIASA-N 1 0 253.277 1.513 20 5 CDBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)[NH2+]1 ZINC000261616323 140364533 /nfs/dbraw/zinc/36/45/33/140364533.db2.gz UBYZKNGYBGBSGL-NXEZZACHSA-N 1 0 267.304 1.916 20 5 CDBDRO COc1cc(N2CC[C@@H]([NH3+])[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000261630280 140366012 /nfs/dbraw/zinc/36/60/12/140366012.db2.gz ATNXFGGYISPWNQ-PSASIEDQSA-N 1 0 283.303 1.916 20 5 CDBDRO Cc1nn(C)c(-c2nc(C3([NH3+])CCCC3)no2)c1[N+](=O)[O-] ZINC000261852510 140399058 /nfs/dbraw/zinc/39/90/58/140399058.db2.gz SWQCXZGUTFIXPV-UHFFFAOYSA-N 1 0 292.299 1.415 20 5 CDBDRO Cc1nc(N2CCC[C@H]([NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000295041133 397662489 /nfs/dbraw/zinc/66/24/89/397662489.db2.gz NXVIYZMWSNELIG-NSHDSACASA-N 1 0 279.344 1.614 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@](F)(CO)C1 ZINC000286717593 397964044 /nfs/dbraw/zinc/96/40/44/397964044.db2.gz CFPISNIPXBIZCV-AWEZNQCLSA-N 1 0 298.314 1.900 20 5 CDBDRO CCCN(CC[NH+](C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000104530162 147196639 /nfs/dbraw/zinc/19/66/39/147196639.db2.gz JYUMJHXMXBEQMG-UHFFFAOYSA-N 1 0 293.367 1.938 20 5 CDBDRO Cn1cccc1[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174810810 147963078 /nfs/dbraw/zinc/96/30/78/147963078.db2.gz XMXBTHMNWKITFB-CQSZACIVSA-N 1 0 289.339 1.967 20 5 CDBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(N)=O ZINC000178688839 148073308 /nfs/dbraw/zinc/07/33/08/148073308.db2.gz GRBLJDAQWVDKJX-MWLCHTKSSA-N 1 0 265.313 1.818 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000262649881 149089716 /nfs/dbraw/zinc/08/97/16/149089716.db2.gz UQLYRBQBASDCIK-UHFFFAOYSA-N 1 0 280.328 1.424 20 5 CDBDRO C[C@H](O)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000311124765 149210282 /nfs/dbraw/zinc/21/02/82/149210282.db2.gz YNNYOYDVUVYLSJ-VIFPVBQESA-N 1 0 256.277 1.985 20 5 CDBDRO C[NH+](C)[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])C1CC1 ZINC000342040322 151802842 /nfs/dbraw/zinc/80/28/42/151802842.db2.gz GGBOURMLHMLAAU-LBPRGKRZSA-N 1 0 292.339 1.446 20 5 CDBDRO COc1cc(CN2CC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000346655111 153259176 /nfs/dbraw/zinc/25/91/76/153259176.db2.gz PURHLFADTYYRTJ-JTQLQIEISA-N 1 0 281.312 1.145 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CC[NH3+])c1 ZINC000349987177 154298727 /nfs/dbraw/zinc/29/87/27/154298727.db2.gz KHLUNUWTVICNDS-QMMMGPOBSA-N 1 0 267.285 1.071 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@@H+]1C ZINC000357415011 157744802 /nfs/dbraw/zinc/74/48/02/157744802.db2.gz NIBCPGSBRBLTKW-IUCAKERBSA-N 1 0 266.301 1.135 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000360567448 158573393 /nfs/dbraw/zinc/57/33/93/158573393.db2.gz FCTJQGBSCYLJAJ-HNNXBMFYSA-N 1 0 291.351 1.659 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(C[NH+](C)C)CC1 ZINC000360965068 158685403 /nfs/dbraw/zinc/68/54/03/158685403.db2.gz BMJWDIFIFIAUJS-UHFFFAOYSA-N 1 0 295.387 1.898 20 5 CDBDRO CO[C@@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000361752323 158978063 /nfs/dbraw/zinc/97/80/63/158978063.db2.gz WQOWAZWTVXSDKZ-VXGBXAGGSA-N 1 0 268.317 1.339 20 5 CDBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000362025394 159042307 /nfs/dbraw/zinc/04/23/07/159042307.db2.gz KWIWMOWCSPFTCW-OCCSQVGLSA-N 1 0 280.324 1.878 20 5 CDBDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000362861810 159255277 /nfs/dbraw/zinc/25/52/77/159255277.db2.gz GDPPLFZMJVMQOR-WCQYABFASA-N 1 0 291.351 1.451 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000261603567 292421275 /nfs/dbraw/zinc/42/12/75/292421275.db2.gz CJHLVBLAMSYNJH-RYUDHWBXSA-N 1 0 289.335 1.585 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000372345416 160108383 /nfs/dbraw/zinc/10/83/83/160108383.db2.gz GHZVSJJGPMOGEP-YPMHNXCESA-N 1 0 280.328 1.376 20 5 CDBDRO [NH3+]C1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000033442045 171802269 /nfs/dbraw/zinc/80/22/69/171802269.db2.gz RFQSRQXGWDQDQJ-UHFFFAOYSA-N 1 0 283.715 1.812 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285111475 196199401 /nfs/dbraw/zinc/19/94/01/196199401.db2.gz HXPNWBZDDNZKFU-SNVBAGLBSA-N 1 0 295.343 1.168 20 5 CDBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285781235 196396700 /nfs/dbraw/zinc/39/67/00/196396700.db2.gz KCYZHSHCYGXMQK-VIFPVBQESA-N 1 0 295.343 1.120 20 5 CDBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc([N+](=O)[O-])s1 ZINC000040740705 174391096 /nfs/dbraw/zinc/39/10/96/174391096.db2.gz RITRTBPSDWLKGP-JVHMLUBASA-N 1 0 281.337 1.669 20 5 CDBDRO [NH3+]C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000044528506 175193303 /nfs/dbraw/zinc/19/33/03/175193303.db2.gz LUPPFYMTDZALEZ-MRVPVSSYSA-N 1 0 269.326 1.467 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000070446918 175938737 /nfs/dbraw/zinc/93/87/37/175938737.db2.gz BWIAXRLFZJFKJC-NSHDSACASA-N 1 0 251.286 1.308 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000070578065 175993605 /nfs/dbraw/zinc/99/36/05/175993605.db2.gz IMFXKYKRIBMLLF-PWSUYJOCSA-N 1 0 277.324 1.729 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000071147417 176043127 /nfs/dbraw/zinc/04/31/27/176043127.db2.gz DJQBJDXIXWHNIY-NSHDSACASA-N 1 0 279.340 1.645 20 5 CDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CC[NH2+]C1 ZINC000071312657 176119149 /nfs/dbraw/zinc/11/91/49/176119149.db2.gz DVHIGKPQPRNWCQ-QMMMGPOBSA-N 1 0 253.258 1.012 20 5 CDBDRO Cc1ccc(C[NH2+][C@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000077900295 177308481 /nfs/dbraw/zinc/30/84/81/177308481.db2.gz JDQHIIKSHVSTHQ-LBPRGKRZSA-N 1 0 277.324 1.614 20 5 CDBDRO C[C@]1(C[NH3+])CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000313796216 261521222 /nfs/dbraw/zinc/52/12/22/261521222.db2.gz FAFLVBPBGGESSJ-IDTUSYRASA-N 1 0 289.335 1.805 20 5 CDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[NH2+]1 ZINC000237995147 424560258 /nfs/dbraw/zinc/56/02/58/424560258.db2.gz QHLZQUQTGDCZKV-LLVKDONJSA-N 1 0 293.323 1.232 20 5 CDBDRO [NH3+]CC[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(F)F ZINC000394769531 270338897 /nfs/dbraw/zinc/33/88/97/270338897.db2.gz DXERUVVOYQDRMO-BRAIEQGRSA-N 1 0 299.277 1.707 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]([NH3+])C1CCC1 ZINC000399032999 270367663 /nfs/dbraw/zinc/36/76/63/270367663.db2.gz MNUYBXITLXDSFN-CYBMUJFWSA-N 1 0 277.324 1.681 20 5 CDBDRO C[C@H]1C[C@H]1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000453576405 270393079 /nfs/dbraw/zinc/39/30/79/270393079.db2.gz MRFOTQKOOPWNLQ-RYUDHWBXSA-N 1 0 276.340 1.768 20 5 CDBDRO C[NH2+][C@H](C)Cc1noc(-c2n[nH]c(C(C)C)c2[N+](=O)[O-])n1 ZINC000349883954 273974122 /nfs/dbraw/zinc/97/41/22/273974122.db2.gz PUERGNZAZPXEIN-SSDOTTSWSA-N 1 0 294.315 1.642 20 5 CDBDRO COC[C@@H](O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279081480 274045517 /nfs/dbraw/zinc/04/55/17/274045517.db2.gz MQIHZYWAIRYMJE-FZMZJTMJSA-N 1 0 294.351 1.914 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415628041 274483019 /nfs/dbraw/zinc/48/30/19/274483019.db2.gz DHLVXJHOCCLGEM-SSDOTTSWSA-N 1 0 270.264 1.545 20 5 CDBDRO Nc1nc(N2CCC[C@@H]2C[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000275074053 274966043 /nfs/dbraw/zinc/96/60/43/274966043.db2.gz VXEIEKHSPCCGID-SNVBAGLBSA-N 1 0 292.343 1.032 20 5 CDBDRO O=[N+]([O-])c1c(NC[C@@H]2CCC[NH2+]2)nc2sccn21 ZINC000053255263 275032797 /nfs/dbraw/zinc/03/27/97/275032797.db2.gz ZHLQZAORFOKBOJ-ZETCQYMHSA-N 1 0 267.314 1.468 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC[N@@H+](C3CCCC3)CC2)nc1 ZINC000273596018 275040847 /nfs/dbraw/zinc/04/08/47/275040847.db2.gz ILKUVFIQDNJCRR-UHFFFAOYSA-N 1 0 291.355 1.840 20 5 CDBDRO CCCN(c1ncc([N+](=O)[O-])s1)[C@@H]1CC[NH2+]C1 ZINC000226780350 276003396 /nfs/dbraw/zinc/00/33/96/276003396.db2.gz UBNGJDZCKUPRGH-MRVPVSSYSA-N 1 0 256.331 1.630 20 5 CDBDRO CCOCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447539480 276325712 /nfs/dbraw/zinc/32/57/12/276325712.db2.gz GVLILEPJTJJAGF-NEPJUHHUSA-N 1 0 282.344 1.901 20 5 CDBDRO C[NH2+][C@@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000133102288 277296395 /nfs/dbraw/zinc/29/63/95/277296395.db2.gz TVSKAXSMJNRLMF-LLVKDONJSA-N 1 0 272.308 1.941 20 5 CDBDRO C[NH2+][C@H]1CCCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000261570332 277300217 /nfs/dbraw/zinc/30/02/17/277300217.db2.gz KILHJIZORSKOCE-VIFPVBQESA-N 1 0 253.277 1.922 20 5 CDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)C[NH3+] ZINC000441618387 277645316 /nfs/dbraw/zinc/64/53/16/277645316.db2.gz XRAQLOZUBMDSBR-VHSXEESVSA-N 1 0 297.380 1.786 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N1CCO[C@H](C[NH3+])C1 ZINC000165793458 278932208 /nfs/dbraw/zinc/93/22/08/278932208.db2.gz RBOCPBVXDIEDRM-SNVBAGLBSA-N 1 0 251.286 1.067 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000332023137 279030117 /nfs/dbraw/zinc/03/01/17/279030117.db2.gz RFGJDWBUELNEIT-QWRGUYRKSA-N 1 0 289.335 1.872 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000237600947 279290546 /nfs/dbraw/zinc/29/05/46/279290546.db2.gz HLFOHVCTBFAYGL-SNVBAGLBSA-N 1 0 280.328 1.202 20 5 CDBDRO C[NH+](C)CCCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000114674764 279339245 /nfs/dbraw/zinc/33/92/45/279339245.db2.gz YMJJFLLUVADLAP-FNORWQNLSA-N 1 0 295.314 1.815 20 5 CDBDRO C[NH+](C)CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000135166780 279805179 /nfs/dbraw/zinc/80/51/79/279805179.db2.gz ITYRXIZZZQXCBK-UHFFFAOYSA-N 1 0 265.313 1.508 20 5 CDBDRO CCCc1n[nH]c(C(=O)N2CCC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000236884106 280144211 /nfs/dbraw/zinc/14/42/11/280144211.db2.gz LSFHYOWUWCYNAH-SECBINFHSA-N 1 0 295.343 1.081 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000237522693 280178724 /nfs/dbraw/zinc/17/87/24/280178724.db2.gz DUNXWAHVRFDLDO-NOZJJQNGSA-N 1 0 292.339 1.498 20 5 CDBDRO C[C@@H](c1ccco1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247343657 280329053 /nfs/dbraw/zinc/32/90/53/280329053.db2.gz GGBFAOMMHQROCV-CMPLNLGQSA-N 1 0 294.311 1.438 20 5 CDBDRO C[N@@H+]1CC[C@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000522146964 281090054 /nfs/dbraw/zinc/09/00/54/281090054.db2.gz IAGOVCOTBWZWPI-NSHDSACASA-N 1 0 292.339 1.075 20 5 CDBDRO NC(=O)[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255289791 289364004 /nfs/dbraw/zinc/36/40/04/289364004.db2.gz ONPGWHUSIUJENJ-ACVFHECNSA-N 1 0 289.335 1.805 20 5 CDBDRO CC(C)[NH2+]CCCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000562816011 293204067 /nfs/dbraw/zinc/20/40/67/293204067.db2.gz RECLASLLIIZWIY-UHFFFAOYSA-N 1 0 294.355 1.782 20 5 CDBDRO Cc1nc(N2CC[C@]3(C2)CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC000565648413 293653414 /nfs/dbraw/zinc/65/34/14/293653414.db2.gz OZKAWTADPONAIR-CYBMUJFWSA-N 1 0 277.328 1.273 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[C@@H]1CCC[NH2+]C1 ZINC000569118638 294160767 /nfs/dbraw/zinc/16/07/67/294160767.db2.gz QKLRIEOFWVOSAH-JTQLQIEISA-N 1 0 251.286 1.146 20 5 CDBDRO Cc1n[nH]c(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000574530688 295015339 /nfs/dbraw/zinc/01/53/39/295015339.db2.gz DFFDJXZKYIJTOA-GFCCVEGCSA-N 1 0 287.323 1.841 20 5 CDBDRO C[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000574630376 295029259 /nfs/dbraw/zinc/02/92/59/295029259.db2.gz OHOYMBSKJHOKAN-ZJUUUORDSA-N 1 0 281.312 1.073 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000236267292 295243673 /nfs/dbraw/zinc/24/36/73/295243673.db2.gz UGKXTARSJGXGTE-GFCCVEGCSA-N 1 0 277.324 1.842 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000131921603 297249845 /nfs/dbraw/zinc/24/98/45/297249845.db2.gz DYKWLPWRHRIJTM-BDAKNGLRSA-N 1 0 281.287 1.543 20 5 CDBDRO CC[N@H+](C)C[C@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000563352559 316263581 /nfs/dbraw/zinc/26/35/81/316263581.db2.gz JFVCGJMDASAHHH-BXUZGUMPSA-N 1 0 281.356 1.558 20 5 CDBDRO C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000575802877 317017503 /nfs/dbraw/zinc/01/75/03/317017503.db2.gz UEEIOHMGDWSAIM-DMBZQDCGSA-N 1 0 261.325 1.887 20 5 CDBDRO Cc1c(CC(=O)N[C@H](C)C[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000576228828 317100700 /nfs/dbraw/zinc/10/07/00/317100700.db2.gz DQWBYGMJEGNDDW-VHSXEESVSA-N 1 0 279.340 1.688 20 5 CDBDRO Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000381386565 323626011 /nfs/dbraw/zinc/62/60/11/323626011.db2.gz QSKUYXCVAFLBAZ-BDAKNGLRSA-N 1 0 251.286 1.369 20 5 CDBDRO Cc1cnc(N[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000382413235 323638940 /nfs/dbraw/zinc/63/89/40/323638940.db2.gz FUVSFRXHXUUQGU-NXEZZACHSA-N 1 0 250.302 1.980 20 5 CDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000393395066 323831439 /nfs/dbraw/zinc/83/14/39/323831439.db2.gz HAMNBQNRNHZWJD-LBPRGKRZSA-N 1 0 277.324 1.713 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000578349812 323907473 /nfs/dbraw/zinc/90/74/73/323907473.db2.gz RAWSPIADVXOKBO-LLVKDONJSA-N 1 0 277.324 1.646 20 5 CDBDRO CC1(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[NH2+]C1 ZINC000579101620 324103392 /nfs/dbraw/zinc/10/33/92/324103392.db2.gz TZVJUUZKRPELPY-UHFFFAOYSA-N 1 0 261.281 1.093 20 5 CDBDRO CC[N@H+](C)C[C@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000579490176 324202721 /nfs/dbraw/zinc/20/27/21/324202721.db2.gz PMZHJRLVKZHUGO-SMDDNHRTSA-N 1 0 281.356 1.558 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000579814702 324287671 /nfs/dbraw/zinc/28/76/71/324287671.db2.gz HGTNUTDEQDMJSO-LLVKDONJSA-N 1 0 279.344 1.154 20 5 CDBDRO CCOCC(C)(C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000339368360 521670765 /nfs/dbraw/zinc/67/07/65/521670765.db2.gz QDMNWSBKBNXRGH-UHFFFAOYSA-N 1 0 256.306 1.233 20 5 CDBDRO CCC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168998182 1161997070 /nfs/dbraw/zinc/99/70/70/1161997070.db2.gz JGJNJKIZZCFQAO-XUXIUFHCSA-N 1 0 297.399 1.859 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2nncs2)C1 ZINC001168999105 1161997085 /nfs/dbraw/zinc/99/70/85/1161997085.db2.gz RYWGNXFVHRNMRV-IUCAKERBSA-N 1 0 256.331 1.116 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001168967721 1161996253 /nfs/dbraw/zinc/99/62/53/1161996253.db2.gz SQDSYMBEEOOXIO-BXKDBHETSA-N 1 0 253.277 1.756 20 5 CDBDRO CCOc1ccc(C(=O)NC[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000237081137 520910561 /nfs/dbraw/zinc/91/05/61/520910561.db2.gz CIUFWUMLNLPMIQ-SECBINFHSA-N 1 0 281.312 1.318 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000050699696 521657833 /nfs/dbraw/zinc/65/78/33/521657833.db2.gz BBNKADZFAACLGJ-NSHDSACASA-N 1 0 292.339 1.391 20 5 CDBDRO COc1cc(C(=O)NC[C@@H]([NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000161399688 522114005 /nfs/dbraw/zinc/11/40/05/522114005.db2.gz AJBPOBCJNFOGIJ-SNVBAGLBSA-N 1 0 279.296 1.071 20 5 CDBDRO Cc1cc(N2CC[C@@H](C)[C@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000163955235 525087073 /nfs/dbraw/zinc/08/70/73/525087073.db2.gz AWHQUYBVZKSFEB-MWLCHTKSSA-N 1 0 264.329 1.719 20 5 CDBDRO C[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000164215443 525940593 /nfs/dbraw/zinc/94/05/93/525940593.db2.gz JKWRMFOAUHUXAN-JTQLQIEISA-N 1 0 277.324 1.409 20 5 CDBDRO C[NH2+]CCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423727711 536443188 /nfs/dbraw/zinc/44/31/88/536443188.db2.gz RSGVUPTVVFFALY-UHFFFAOYSA-N 1 0 277.324 1.695 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOCCO)c(Cl)c1 ZINC000052925013 527351295 /nfs/dbraw/zinc/35/12/95/527351295.db2.gz WKVMVMMXYLDUED-UHFFFAOYSA-N 1 0 274.704 1.347 20 5 CDBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000184946907 527416497 /nfs/dbraw/zinc/41/64/97/527416497.db2.gz CYCLXVXKMFGBCF-YUTCNCBUSA-N 1 0 289.335 1.333 20 5 CDBDRO CC(C)([NH3+])CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418424015 535202787 /nfs/dbraw/zinc/20/27/87/535202787.db2.gz GKLCVCLHUSBPSA-UHFFFAOYSA-N 1 0 292.339 1.400 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]([NH3+])CC ZINC000415661237 535429850 /nfs/dbraw/zinc/42/98/50/535429850.db2.gz PZWJOPBJWHKDIW-VIFPVBQESA-N 1 0 296.327 1.852 20 5 CDBDRO CC[C@@H](NC(=O)CC[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000262549694 535786145 /nfs/dbraw/zinc/78/61/45/535786145.db2.gz ONVYQLOVAHNQDG-GFCCVEGCSA-N 1 0 265.313 1.772 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261834888 535969127 /nfs/dbraw/zinc/96/91/27/535969127.db2.gz VBAQHRUTMGDWAN-CYBMUJFWSA-N 1 0 279.344 1.309 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@](C)(C[NH3+])C1 ZINC000261578674 536143914 /nfs/dbraw/zinc/14/39/14/536143914.db2.gz DHKYNGOYPYWVEQ-LBPRGKRZSA-N 1 0 267.333 1.295 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252774682 536144336 /nfs/dbraw/zinc/14/43/36/536144336.db2.gz JXFZSEWKGWQYQX-WPRPVWTQSA-N 1 0 267.333 1.293 20 5 CDBDRO CNC(=O)c1ccc(NC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000212639899 536433994 /nfs/dbraw/zinc/43/39/94/536433994.db2.gz OJGMJGNDJPYRBL-JTQLQIEISA-N 1 0 292.339 1.366 20 5 CDBDRO COc1ccc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000423729741 536808821 /nfs/dbraw/zinc/80/88/21/536808821.db2.gz VLRLWEOJVUJXEZ-IONNQARKSA-N 1 0 283.259 1.242 20 5 CDBDRO CC[NH+](CC)CCOC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000768508061 576290930 /nfs/dbraw/zinc/29/09/30/576290930.db2.gz FRNHOYAYSMHCTC-UHFFFAOYSA-N 1 0 281.312 1.676 20 5 CDBDRO C[C@]1(CO)CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000759893734 576441378 /nfs/dbraw/zinc/44/13/78/576441378.db2.gz OJRTVPRXSYXAJI-ZIAGYGMSSA-N 1 0 280.324 1.475 20 5 CDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000742240063 576591656 /nfs/dbraw/zinc/59/16/56/576591656.db2.gz IHVOVSMESYXYFI-NSHDSACASA-N 1 0 277.324 1.809 20 5 CDBDRO Cc1nn(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c(C)c1[N+](=O)[O-] ZINC000749799284 576963392 /nfs/dbraw/zinc/96/33/92/576963392.db2.gz WDLMXTUVJYGMLU-STQMWFEESA-N 1 0 294.355 1.724 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](c2ccccn2)C2CC2)c1 ZINC000932377038 617233324 /nfs/dbraw/zinc/23/33/24/617233324.db2.gz GUBTZJHPJFAVBQ-AWEZNQCLSA-N 1 0 287.323 1.927 20 5 CDBDRO CC[NH+](CC)C[C@H](C)Nc1c([N+](=O)[O-])cnn1C ZINC000892032079 617425535 /nfs/dbraw/zinc/42/55/35/617425535.db2.gz GSKAMDDHRSBILI-VIFPVBQESA-N 1 0 255.322 1.471 20 5 CDBDRO C[C@H]([NH3+])C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000104143654 617442674 /nfs/dbraw/zinc/44/26/74/617442674.db2.gz ZCJVRLNUVGJOHX-VIFPVBQESA-N 1 0 250.302 1.553 20 5 CDBDRO CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000982942121 614060626 /nfs/dbraw/zinc/06/06/26/614060626.db2.gz RRRCRFNVCIEXHA-HOMQSWHASA-N 1 0 283.353 1.661 20 5 CDBDRO CC(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000981763834 614085828 /nfs/dbraw/zinc/08/58/28/614085828.db2.gz LPYSTJFPTBDLOL-CHWSQXEVSA-N 1 0 295.383 1.232 20 5 CDBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1c([N+](=O)[O-])cnn1C ZINC000892555480 617500541 /nfs/dbraw/zinc/50/05/41/617500541.db2.gz UPJAICMSONSQNW-JTQLQIEISA-N 1 0 267.333 1.106 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000892625104 617543001 /nfs/dbraw/zinc/54/30/01/617543001.db2.gz ZYUAEZWVQONRBQ-UHFFFAOYSA-N 1 0 293.371 1.783 20 5 CDBDRO C[C@H]1CCCC[N@@H+]1CCNc1c([N+](=O)[O-])cnn1C ZINC000891838955 617637286 /nfs/dbraw/zinc/63/72/86/617637286.db2.gz ZBDFAKHXMWIXTK-JTQLQIEISA-N 1 0 267.333 1.615 20 5 CDBDRO CC[N@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2OC)C1 ZINC000892730384 617673520 /nfs/dbraw/zinc/67/35/20/617673520.db2.gz HZPQUDOXUNTNOE-NSHDSACASA-N 1 0 294.355 1.776 20 5 CDBDRO CCOC(=O)CC[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582444 617682865 /nfs/dbraw/zinc/68/28/65/617682865.db2.gz UMZJPHJTEPYBDZ-ZDUSSCGKSA-N 1 0 296.323 1.513 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000892288783 617700774 /nfs/dbraw/zinc/70/07/74/617700774.db2.gz UPXJVYHJGYXTCY-SNVBAGLBSA-N 1 0 280.328 1.529 20 5 CDBDRO CCN(CCC[NH+]1CCCC1)c1c([N+](=O)[O-])cnn1C ZINC000893426803 617870520 /nfs/dbraw/zinc/87/05/20/617870520.db2.gz FSWVPOKCGJTDRD-UHFFFAOYSA-N 1 0 281.360 1.641 20 5 CDBDRO C[NH2+]CCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000841043611 618678014 /nfs/dbraw/zinc/67/80/14/618678014.db2.gz XVNSHFYZDGFUKT-UHFFFAOYSA-N 1 0 257.721 1.947 20 5 CDBDRO O=[N+]([O-])c1ccc(CN[C@H]2CC[NH2+]C2)cc1Cl ZINC000841045227 618678311 /nfs/dbraw/zinc/67/83/11/618678311.db2.gz PPKJYXGRGGIUJO-VIFPVBQESA-N 1 0 255.705 1.700 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1C[NH2+]CCO1 ZINC000841099848 618682083 /nfs/dbraw/zinc/68/20/83/618682083.db2.gz ZLZJYFSNACUTFK-LLVKDONJSA-N 1 0 285.731 1.326 20 5 CDBDRO COCC1C[NH+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000895976290 619923437 /nfs/dbraw/zinc/92/34/37/619923437.db2.gz NRVVEUAZMLZMKV-UHFFFAOYSA-N 1 0 250.298 1.981 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2cnc(N3CC[NH2+]CC3)cn2)cc1 ZINC000899319526 622181199 /nfs/dbraw/zinc/18/11/99/622181199.db2.gz KULLZMXBDJDPDN-UHFFFAOYSA-N 1 0 285.307 1.461 20 5 CDBDRO Cc1ccccc1C1(C[NH2+]CC[N+](=O)[O-])CCOCC1 ZINC000899873118 622503331 /nfs/dbraw/zinc/50/33/31/622503331.db2.gz IPGXMWMGJIDUIR-UHFFFAOYSA-N 1 0 278.352 1.910 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000905047764 626385249 /nfs/dbraw/zinc/38/52/49/626385249.db2.gz AIQXUCVLTRYUKS-UHFFFAOYSA-N 1 0 279.127 1.667 20 5 CDBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNCC[N+](=O)[O-])C1 ZINC000905107400 626622859 /nfs/dbraw/zinc/62/28/59/626622859.db2.gz YHFSPBNFNQUAMC-GFCCVEGCSA-N 1 0 257.378 1.753 20 5 CDBDRO C[C@H](C[NH2+]CC[N+](=O)[O-])Oc1cccc(Cl)c1 ZINC000905134248 626648818 /nfs/dbraw/zinc/64/88/18/626648818.db2.gz HDFNJDFHURUJNC-SECBINFHSA-N 1 0 258.705 1.974 20 5 CDBDRO CO[C@H](C[NH2+]CC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000905136115 626649746 /nfs/dbraw/zinc/64/97/46/626649746.db2.gz KWCDYWBXIOHMIE-LLVKDONJSA-N 1 0 258.705 1.894 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1 ZINC000905381023 626776828 /nfs/dbraw/zinc/77/68/28/626776828.db2.gz JLFLCORRIPIYSA-SECBINFHSA-N 1 0 264.203 1.004 20 5 CDBDRO CC(=O)N(C)c1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905387840 626781672 /nfs/dbraw/zinc/78/16/72/626781672.db2.gz YYPDWXNVTCRXJG-UHFFFAOYSA-N 1 0 251.286 1.036 20 5 CDBDRO O=C(NC1CC[NH2+]CC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911627833 629373215 /nfs/dbraw/zinc/37/32/15/629373215.db2.gz BHIMQZAIDITONN-UONOGXRCSA-N 1 0 289.335 1.567 20 5 CDBDRO O=[N+]([O-])CC[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000929724351 630712470 /nfs/dbraw/zinc/71/24/70/630712470.db2.gz QKKYUDOBDYDHOY-CQSZACIVSA-N 1 0 264.325 1.802 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000154128684 632053848 /nfs/dbraw/zinc/05/38/48/632053848.db2.gz UNYOCLGPXVONRC-AOOOYVTPSA-N 1 0 295.314 1.865 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000154318223 632171803 /nfs/dbraw/zinc/17/18/03/632171803.db2.gz IIEMUXVQDUBKRD-UHFFFAOYSA-N 1 0 283.303 1.772 20 5 CDBDRO CC1(C)CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000890076086 633279265 /nfs/dbraw/zinc/27/92/65/633279265.db2.gz ZZRCQYNKUOOOEY-UHFFFAOYSA-N 1 0 292.339 1.452 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]C2CC(CO)C2)c([N+](=O)[O-])c1 ZINC001170309678 1162340097 /nfs/dbraw/zinc/34/00/97/1162340097.db2.gz RJXLOYSWWBDZSH-XSRFYTQQSA-N 1 0 294.351 1.895 20 5 CDBDRO C[NH2+]CCN(c1ccc([N+](=O)[O-])c(N)n1)C(C)(C)C ZINC001157830409 1162457642 /nfs/dbraw/zinc/45/76/42/1162457642.db2.gz UZODUGYBGWUXFY-UHFFFAOYSA-N 1 0 267.333 1.396 20 5 CDBDRO C[C@@H](Nc1cc(F)cc(F)c1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001170571139 1162959892 /nfs/dbraw/zinc/95/98/92/1162959892.db2.gz YISUGMAWEQKAQN-RDDDGLTNSA-N 1 0 287.266 1.662 20 5 CDBDRO CC(=O)N[C@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)C1 ZINC001170583357 1163049479 /nfs/dbraw/zinc/04/94/79/1163049479.db2.gz DZCDJYVQTSVUFO-HAQNSBGRSA-N 1 0 290.323 1.277 20 5 CDBDRO [NH3+]Cc1cnn(-c2ncc([N+](=O)[O-])c3ccccc32)c1 ZINC001157471871 1162107254 /nfs/dbraw/zinc/10/72/54/1162107254.db2.gz PHRCMOHWCVBUNJ-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO O=[N+]([O-])c1cccc2nc(N3C[C@@H]4C[NH2+][C@@H]4C3)ccc21 ZINC001157619823 1162240697 /nfs/dbraw/zinc/24/06/97/1162240697.db2.gz NVNROBIAKNJMHM-JOYOIKCWSA-N 1 0 270.292 1.551 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCC2(C[NH2+]C2)CC1 ZINC001159042468 1164010274 /nfs/dbraw/zinc/01/02/74/1164010274.db2.gz GTLQXTZWQHLSFN-UHFFFAOYSA-N 1 0 298.730 1.071 20 5 CDBDRO CCOC(=O)c1cc([N+](=O)[O-])c(NC2C[NH2+]C2)cc1C ZINC001578056274 1171794002 /nfs/dbraw/zinc/79/40/02/1171794002.db2.gz HZLRSPODNUCDND-UHFFFAOYSA-N 1 0 279.296 1.464 20 5 CDBDRO COc1ccc(NC(=O)N2CC3(C[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001579229388 1172121649 /nfs/dbraw/zinc/12/16/49/1172121649.db2.gz YNUCOVJKDDCKPC-UHFFFAOYSA-N 1 0 292.295 1.041 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CC[NH2+]C2(C)C)n1 ZINC001579642717 1172233053 /nfs/dbraw/zinc/23/30/53/1172233053.db2.gz SFYQJBCAJHWILJ-NSHDSACASA-N 1 0 278.312 1.169 20 5 CDBDRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(c1cc(F)c([N+](=O)[O-])cc1CO)C2 ZINC001580170193 1172369427 /nfs/dbraw/zinc/36/94/27/1172369427.db2.gz OXXADKIIXXRHBV-LSJOCFKGSA-N 1 0 295.314 1.542 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H]1C ZINC001590309861 1173346169 /nfs/dbraw/zinc/34/61/69/1173346169.db2.gz QVNNCAJMPHSFCR-RKDXNWHRSA-N 1 0 288.311 1.615 20 5 CDBDRO [NH3+][C@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000322650237 1186803218 /nfs/dbraw/zinc/80/32/18/1186803218.db2.gz MRIVGAUTQUTCIC-KYZUINATSA-N 1 0 281.287 1.734 20 5 CDBDRO COc1cnc(N2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC001164654618 719332198 /nfs/dbraw/zinc/33/21/98/719332198.db2.gz SEEYAHHFWZHVJC-UHFFFAOYSA-N 1 0 294.355 1.776 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c(F)c1 ZINC001155584192 1167243348 /nfs/dbraw/zinc/24/33/48/1167243348.db2.gz VXYDDCUCSFPVTB-HDBBIHSSSA-N 1 0 266.276 1.539 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2ccncc2)c1 ZINC000818973536 837392598 /nfs/dbraw/zinc/39/25/98/837392598.db2.gz YXBLYBDLQAATTM-HNNXBMFYSA-N 1 0 287.319 1.856 20 5 CDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886102879 837414763 /nfs/dbraw/zinc/41/47/63/837414763.db2.gz STCUQIYLYNVMEY-QWRGUYRKSA-N 1 0 264.329 1.514 20 5 CDBDRO COCCOC[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886023004 837805821 /nfs/dbraw/zinc/80/58/21/837805821.db2.gz KPLVJCDIPUGXLC-LBPRGKRZSA-N 1 0 295.339 1.475 20 5 CDBDRO COC[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886016767 837811804 /nfs/dbraw/zinc/81/18/04/837811804.db2.gz LFZXRSWOZVDBSO-SNVBAGLBSA-N 1 0 251.286 1.458 20 5 CDBDRO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000261605289 835859091 /nfs/dbraw/zinc/85/90/91/835859091.db2.gz RHKSUHKZRGLXTJ-WRWORJQWSA-N 1 0 267.260 1.296 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702057761 835879807 /nfs/dbraw/zinc/87/98/07/835879807.db2.gz ZDUZYESUZFGHIS-MRVPVSSYSA-N 1 0 283.715 1.682 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H](C)[NH3+])c1C ZINC000884444898 835882618 /nfs/dbraw/zinc/88/26/18/835882618.db2.gz YOYXHOIAVDUVKA-SECBINFHSA-N 1 0 265.313 1.631 20 5 CDBDRO Cn1cc(C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000776277799 835893223 /nfs/dbraw/zinc/89/32/23/835893223.db2.gz OXEGVJHPFZAJPP-CQSZACIVSA-N 1 0 290.323 1.494 20 5 CDBDRO C[C@H](CCO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815582960 835901018 /nfs/dbraw/zinc/90/10/18/835901018.db2.gz TYQMEDRGSYOBPB-BDAKNGLRSA-N 1 0 253.302 1.599 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000818564834 835983875 /nfs/dbraw/zinc/98/38/75/835983875.db2.gz NTZSLODJVBOXNS-VHSXEESVSA-N 1 0 295.314 1.852 20 5 CDBDRO C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000925153202 836041545 /nfs/dbraw/zinc/04/15/45/836041545.db2.gz KOJAHHYMRSVULR-WCQYABFASA-N 1 0 291.351 1.784 20 5 CDBDRO CCn1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819367663 836079589 /nfs/dbraw/zinc/07/95/89/836079589.db2.gz CIXSETAFDSTJGM-CQSZACIVSA-N 1 0 290.323 1.634 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877107722 836085632 /nfs/dbraw/zinc/08/56/32/836085632.db2.gz KQSDFOMHTALKQB-SECBINFHSA-N 1 0 265.313 1.631 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2CCO)cc1 ZINC000794577323 836153273 /nfs/dbraw/zinc/15/32/73/836153273.db2.gz PIQXYGKESYMBMR-KCPJHIHWSA-N 1 0 294.351 1.769 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000886839264 836173073 /nfs/dbraw/zinc/17/30/73/836173073.db2.gz ADRBYWAKSMNDPM-CMPLNLGQSA-N 1 0 262.313 1.174 20 5 CDBDRO CC[N@@H+]1CCCN(Cc2cccnc2[N+](=O)[O-])[C@H](C)C1 ZINC000886245259 836354875 /nfs/dbraw/zinc/35/48/75/836354875.db2.gz PMUQUSKDHLSCLZ-GFCCVEGCSA-N 1 0 278.356 1.906 20 5 CDBDRO C[C@H](NC(=S)NCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000840763371 836467971 /nfs/dbraw/zinc/46/79/71/836467971.db2.gz FJXVJUKXWKNVMU-JTQLQIEISA-N 1 0 296.396 1.682 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132783086 836502925 /nfs/dbraw/zinc/50/29/25/836502925.db2.gz PVFDCGIDXUUKKJ-PELKAZGASA-N 1 0 281.287 1.591 20 5 CDBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1cccnc1[N+](=O)[O-] ZINC000886833007 836513504 /nfs/dbraw/zinc/51/35/04/836513504.db2.gz RJVXNNDCPGYMLM-YHWZYXNKSA-N 1 0 276.340 1.834 20 5 CDBDRO C[C@H]([N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000831020744 836631397 /nfs/dbraw/zinc/63/13/97/836631397.db2.gz VATRUQARXMDXNT-GXFFZTMASA-N 1 0 282.340 1.719 20 5 CDBDRO COc1ccccc1[C@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000929690972 836758072 /nfs/dbraw/zinc/75/80/72/836758072.db2.gz SXSRGGHEPHHHCV-NSHDSACASA-N 1 0 250.298 1.761 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@]1(O)CCOC1 ZINC000227135573 836956894 /nfs/dbraw/zinc/95/68/94/836956894.db2.gz DUPDDXVINNWPLM-LBPRGKRZSA-N 1 0 286.715 1.489 20 5 CDBDRO C[NH+](C)CCCOC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000791884811 836964444 /nfs/dbraw/zinc/96/44/44/836964444.db2.gz QVCAMWNCPNRNMW-UHFFFAOYSA-N 1 0 270.260 1.842 20 5 CDBDRO O=[N+]([O-])c1cnn(CN2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000172485005 837075297 /nfs/dbraw/zinc/07/52/97/837075297.db2.gz LNEPNCAZIDLHOI-LBPRGKRZSA-N 1 0 279.344 1.309 20 5 CDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000839708297 837317233 /nfs/dbraw/zinc/31/72/33/837317233.db2.gz IRUMOABCQYZTAP-AHLTXXRQSA-N 1 0 293.367 1.127 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C(C)(C)C1CCOCC1 ZINC000878526762 837319755 /nfs/dbraw/zinc/31/97/55/837319755.db2.gz PPXZNYLGJPOULT-UHFFFAOYSA-N 1 0 296.371 1.895 20 5 CDBDRO CCC(=O)c1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000795075135 837374416 /nfs/dbraw/zinc/37/44/16/837374416.db2.gz WTUJYEWCSJNZEZ-TXEJJXNPSA-N 1 0 289.335 1.843 20 5 CDBDRO C[C@@H]([NH2+][C@H](CO)CC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815598464 837849689 /nfs/dbraw/zinc/84/96/89/837849689.db2.gz VYAHRASCUXVPQZ-SKDRFNHKSA-N 1 0 279.340 1.989 20 5 CDBDRO C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840305346 837853557 /nfs/dbraw/zinc/85/35/57/837853557.db2.gz MPAFIPWCRUWGHF-CHWSQXEVSA-N 1 0 293.323 1.231 20 5 CDBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886234349 837872444 /nfs/dbraw/zinc/87/24/44/837872444.db2.gz MHGVRDNILDJGHH-NEPJUHHUSA-N 1 0 293.323 1.811 20 5 CDBDRO C[N@H+](C[C@@H]1CCOC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000176103540 837900353 /nfs/dbraw/zinc/90/03/53/837900353.db2.gz YKTHJKIYHQQVJN-NSHDSACASA-N 1 0 290.323 1.870 20 5 CDBDRO CC[NH+](CC)CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823508232 837997836 /nfs/dbraw/zinc/99/78/36/837997836.db2.gz UHQZMBZSXBTPRN-CYBMUJFWSA-N 1 0 295.339 1.086 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000883100751 838044124 /nfs/dbraw/zinc/04/41/24/838044124.db2.gz JDCDKGPFGJZEDR-LBPRGKRZSA-N 1 0 292.339 1.488 20 5 CDBDRO O=[N+]([O-])c1cccc(CCN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c1 ZINC000925628994 838806714 /nfs/dbraw/zinc/80/67/14/838806714.db2.gz JJLCPYRQNQPTEB-AMSCCUFHSA-N 1 0 287.363 1.723 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCCNC1=O ZINC000873130499 838832441 /nfs/dbraw/zinc/83/24/41/838832441.db2.gz FUTSCHLYMZZECD-GFCCVEGCSA-N 1 0 291.351 1.827 20 5 CDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cn1nccc1[N+](=O)[O-] ZINC000808191080 838861272 /nfs/dbraw/zinc/86/12/72/838861272.db2.gz KDUQQSSFFRSLQU-VXGBXAGGSA-N 1 0 279.344 1.307 20 5 CDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])CCC1 ZINC000843454149 839034766 /nfs/dbraw/zinc/03/47/66/839034766.db2.gz NQZOUKJXVCTGKE-UHFFFAOYSA-N 1 0 292.339 1.272 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000844642306 839174091 /nfs/dbraw/zinc/17/40/91/839174091.db2.gz IVDCDRYBNMLXPB-UTUOFQBUSA-N 1 0 285.388 1.761 20 5 CDBDRO C[C@H](COC(=O)Cn1ccc([N+](=O)[O-])n1)[NH+]1CCCCC1 ZINC000847960569 839227656 /nfs/dbraw/zinc/22/76/56/839227656.db2.gz NLGSVCXXSSGNIA-LLVKDONJSA-N 1 0 296.327 1.209 20 5 CDBDRO C[C@@H]1C[C@H]1CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870865643 839298480 /nfs/dbraw/zinc/29/84/80/839298480.db2.gz AURGIUIJBLTOLF-ISTVAULSSA-N 1 0 277.324 1.541 20 5 CDBDRO C[N@@H+]1CCN(Cc2cccnc2[N+](=O)[O-])C(C)(C)C1 ZINC000886100365 839556861 /nfs/dbraw/zinc/55/68/61/839556861.db2.gz MBEAZKZGKPXKIY-UHFFFAOYSA-N 1 0 264.329 1.516 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000818014855 839814727 /nfs/dbraw/zinc/81/47/27/839814727.db2.gz PCRZRLZNVVIAIP-UHFFFAOYSA-N 1 0 294.355 1.342 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCCC[C@@H]2CO)cc1 ZINC000776579260 839848954 /nfs/dbraw/zinc/84/89/54/839848954.db2.gz LGVQOERTMXKKCC-KGLIPLIRSA-N 1 0 280.324 1.475 20 5 CDBDRO CSC[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819088588 839861457 /nfs/dbraw/zinc/86/14/57/839861457.db2.gz UKHMXAYVTHBPGS-BXKDBHETSA-N 1 0 270.354 1.969 20 5 CDBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCC(=O)NC ZINC000933866171 839862305 /nfs/dbraw/zinc/86/23/05/839862305.db2.gz BVQNFYWYYPNXNT-UHFFFAOYSA-N 1 0 295.339 1.432 20 5 CDBDRO O=C(NC1C[NH+](CCC2CCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001030294064 840038390 /nfs/dbraw/zinc/03/83/90/840038390.db2.gz WGXABKGFXWHDRC-CHWSQXEVSA-N 1 0 281.356 1.032 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1COC[C@@H]1O ZINC000866420389 840112565 /nfs/dbraw/zinc/11/25/65/840112565.db2.gz PBPAASJLXDEBQU-DYLAAIIWSA-N 1 0 284.287 1.014 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000876511415 840153070 /nfs/dbraw/zinc/15/30/70/840153070.db2.gz HVSPCXCYVVWIFD-GFCCVEGCSA-N 1 0 291.351 1.909 20 5 CDBDRO CCN(C)C(=O)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866340100 840217938 /nfs/dbraw/zinc/21/79/38/840217938.db2.gz BWNDRAAJFITWLB-JTQLQIEISA-N 1 0 297.330 1.733 20 5 CDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000832008204 840321162 /nfs/dbraw/zinc/32/11/62/840321162.db2.gz XUKPSZWLRVXSKS-OLZOCXBDSA-N 1 0 297.399 1.907 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CCN2C)c1F ZINC000712323342 840379348 /nfs/dbraw/zinc/37/93/48/840379348.db2.gz LOGMCVWMBDIDAR-SECBINFHSA-N 1 0 281.287 1.476 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818017420 840394010 /nfs/dbraw/zinc/39/40/10/840394010.db2.gz HFPBNHOTCDQYEN-HNNXBMFYSA-N 1 0 289.335 1.871 20 5 CDBDRO Cc1c(C[NH2+]CCS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000037750475 840511169 /nfs/dbraw/zinc/51/11/69/840511169.db2.gz UESVTKPAACMYHH-UHFFFAOYSA-N 1 0 272.326 1.037 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c(F)c1 ZINC000719108885 840533092 /nfs/dbraw/zinc/53/30/92/840533092.db2.gz LZHRJIACUGIDIJ-LLVKDONJSA-N 1 0 296.298 1.929 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@](C)([NH3+])C1 ZINC000873299759 840535984 /nfs/dbraw/zinc/53/59/84/840535984.db2.gz VCQCOUWKFPUSTA-AWEZNQCLSA-N 1 0 277.324 1.775 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)cc1 ZINC000712318322 840757013 /nfs/dbraw/zinc/75/70/13/840757013.db2.gz IOVDLJGESYNUFQ-VHDGCEQUSA-N 1 0 276.336 1.840 20 5 CDBDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000932490839 840804473 /nfs/dbraw/zinc/80/44/73/840804473.db2.gz FOZQRPCAKPQBBY-PELKAZGASA-N 1 0 276.296 1.596 20 5 CDBDRO CCn1nncc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863561406 840939055 /nfs/dbraw/zinc/93/90/55/840939055.db2.gz YPPYBOGYLZAGKY-CYBMUJFWSA-N 1 0 291.311 1.029 20 5 CDBDRO C[NH2+]CCN(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000070304216 840956722 /nfs/dbraw/zinc/95/67/22/840956722.db2.gz XHUUODDSLXTSOX-UHFFFAOYSA-N 1 0 257.721 1.899 20 5 CDBDRO CO[C@@H]1C[C@@H](N(C)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000840144403 840981822 /nfs/dbraw/zinc/98/18/22/840981822.db2.gz YVRUWSVKZVMIDI-VXGBXAGGSA-N 1 0 280.328 1.638 20 5 CDBDRO COC(=O)/C=C\c1ccc(NCC[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000842272845 841106388 /nfs/dbraw/zinc/10/63/88/841106388.db2.gz QOWYJXQOPHXOTD-OAQKJQOQSA-N 1 0 293.323 1.930 20 5 CDBDRO CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000858580048 841294876 /nfs/dbraw/zinc/29/48/76/841294876.db2.gz VVWZTJIKFRIUDV-QWRGUYRKSA-N 1 0 295.339 1.962 20 5 CDBDRO [NH3+]CCCCCCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000843510829 841333231 /nfs/dbraw/zinc/33/32/31/841333231.db2.gz ZAKXBWPVXXAXSW-UHFFFAOYSA-N 1 0 294.355 1.642 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000782613412 841605543 /nfs/dbraw/zinc/60/55/43/841605543.db2.gz ICBYBJQRSDHZCQ-RISCZKNCSA-N 1 0 278.308 1.288 20 5 CDBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2CC[N+](=O)[O-])C1 ZINC000930299811 841611872 /nfs/dbraw/zinc/61/18/72/841611872.db2.gz JFBGNKMMDPYPIH-SYQHCUMBSA-N 1 0 270.373 1.915 20 5 CDBDRO C[C@@]1(O)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592620 841637311 /nfs/dbraw/zinc/63/73/11/841637311.db2.gz QZUUMXFZINNBJB-QWHCGFSZSA-N 1 0 266.297 1.085 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CO)CCF ZINC000866384450 841833893 /nfs/dbraw/zinc/83/38/93/841833893.db2.gz LOECDILZPIOVJA-JOYOIKCWSA-N 1 0 288.294 1.975 20 5 CDBDRO C[NH+](C)C[C@@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000799934403 841970922 /nfs/dbraw/zinc/97/09/22/841970922.db2.gz XSNPFKUITXDUHU-VIFPVBQESA-N 1 0 270.358 1.829 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1COC[C@@H]1C ZINC000932493556 842040824 /nfs/dbraw/zinc/04/08/24/842040824.db2.gz HWIRIRCYJYZDKX-WDEREUQCSA-N 1 0 293.323 1.466 20 5 CDBDRO C[C@H](N[C@H]1C[NH2+]CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000925591775 842154722 /nfs/dbraw/zinc/15/47/22/842154722.db2.gz AWSGSCCRPRZYMF-JQWIXIFHSA-N 1 0 265.313 1.234 20 5 CDBDRO [NH3+][C@H]1C[C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000715151198 842317510 /nfs/dbraw/zinc/31/75/10/842317510.db2.gz BAAHPAVZSZABOJ-XWEPSHTISA-N 1 0 283.715 1.715 20 5 CDBDRO C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858542762 842498631 /nfs/dbraw/zinc/49/86/31/842498631.db2.gz BIKKYJFRIWWRCR-KKZNHRDASA-N 1 0 265.313 1.599 20 5 CDBDRO COCC[C@@H](C)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819368225 842869659 /nfs/dbraw/zinc/86/96/59/842869659.db2.gz FYJYGUCTGYPUMJ-RISCZKNCSA-N 1 0 282.340 1.890 20 5 CDBDRO CNC(=O)C[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173179319 912280599 /nfs/dbraw/zinc/28/05/99/912280599.db2.gz OUZSYGJLSGRJJA-QMMMGPOBSA-N 1 0 299.302 1.009 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2COC2)c1F ZINC001173175970 912280690 /nfs/dbraw/zinc/28/06/90/912280690.db2.gz WNLPFTHJJCARDE-MRVPVSSYSA-N 1 0 284.287 1.662 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2(CO)CC2)c1F ZINC001173178901 912282806 /nfs/dbraw/zinc/28/28/06/912282806.db2.gz NIYIQHWWHQAUSX-SECBINFHSA-N 1 0 298.314 1.788 20 5 CDBDRO CC(C)[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC001173216256 912297945 /nfs/dbraw/zinc/29/79/45/912297945.db2.gz HWAQKDAYGWROGE-GWCFXTLKSA-N 1 0 279.340 1.625 20 5 CDBDRO CC[C@@]([NH3+])(CO)N[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220039 912306312 /nfs/dbraw/zinc/30/63/12/912306312.db2.gz SDEORIBELUIMQA-MFKMUULPSA-N 1 0 267.329 1.173 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC001173227641 912323303 /nfs/dbraw/zinc/32/33/03/912323303.db2.gz RPYZSVLKRRAKPL-CMPLNLGQSA-N 1 0 277.324 1.333 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC2(CN(C)C2)C1 ZINC001173237505 912362500 /nfs/dbraw/zinc/36/25/00/912362500.db2.gz KQFNLGXIANEYOO-LBPRGKRZSA-N 1 0 275.352 1.773 20 5 CDBDRO C[C@@](O)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000698647004 912613671 /nfs/dbraw/zinc/61/36/71/912613671.db2.gz PLRMBRPGBHWHGQ-GFCCVEGCSA-N 1 0 274.267 1.743 20 5 CDBDRO O=[N+]([O-])c1cccc(NC2CCN([C@H]3CC[NH2+]C3)CC2)n1 ZINC001161463445 899392182 /nfs/dbraw/zinc/39/21/82/899392182.db2.gz CZVXWXRENFFTND-LBPRGKRZSA-N 1 0 291.355 1.228 20 5 CDBDRO C[C@H]([NH3+])c1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000692715137 899979397 /nfs/dbraw/zinc/97/93/97/899979397.db2.gz GAASAVDHXYOGOO-ZETCQYMHSA-N 1 0 265.248 1.393 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000711693908 904021108 /nfs/dbraw/zinc/02/11/08/904021108.db2.gz VXBLSXYFXYZZOH-WCQYABFASA-N 1 0 262.313 1.995 20 5 CDBDRO CCc1cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001228240607 907011529 /nfs/dbraw/zinc/01/15/29/907011529.db2.gz QWTNPTPTAMIWOH-CYBMUJFWSA-N 1 0 266.361 1.612 20 5 CDBDRO CCC1(Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)COC1 ZINC001168321782 909022918 /nfs/dbraw/zinc/02/29/18/909022918.db2.gz KWSHRFPDXFQDPR-UHFFFAOYSA-N 1 0 263.297 1.789 20 5 CDBDRO COC[C@H](C)OC[C@@H](C)OC[C@@H](C)OCC[N+](C)(C)C ZINC001224771960 910662536 /nfs/dbraw/zinc/66/25/36/910662536.db2.gz VBGMYFMUGAMWEW-RRFJBIMHSA-N 1 0 292.440 1.554 20 5 CDBDRO [NH3+]CCCCCCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000698119424 911191307 /nfs/dbraw/zinc/19/13/07/911191307.db2.gz MMXZMRZEJCTOHS-UHFFFAOYSA-N 1 0 283.303 1.983 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1(CO)COC1)CC2 ZINC001172901239 912036853 /nfs/dbraw/zinc/03/68/53/912036853.db2.gz LRUVWGBYIRQZBJ-ZDUSSCGKSA-N 1 0 292.335 1.193 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCOCCO)CC2 ZINC001172898258 912039892 /nfs/dbraw/zinc/03/98/92/912039892.db2.gz JTAQLAGNJVDOPW-CQSZACIVSA-N 1 0 294.351 1.441 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C)CC1 ZINC000048400242 924585100 /nfs/dbraw/zinc/58/51/00/924585100.db2.gz MQWKNACTJGTXBB-UHFFFAOYSA-N 1 0 292.339 1.461 20 5 CDBDRO CCOC(=O)c1ccc(N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001164286437 924763971 /nfs/dbraw/zinc/76/39/71/924763971.db2.gz OHGSBMJCWLYQHY-SNVBAGLBSA-N 1 0 279.296 1.309 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001154977958 926264398 /nfs/dbraw/zinc/26/43/98/926264398.db2.gz PMUKKVQHMDCHMW-HTQZYQBOSA-N 1 0 281.272 1.580 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(-n2cc3c(n2)CC[C@@H]([NH3+])C3)n1 ZINC001168815912 927445994 /nfs/dbraw/zinc/44/59/94/927445994.db2.gz LZRMPOTZTBGYAL-SNVBAGLBSA-N 1 0 273.296 1.300 20 5 CDBDRO [NH3+][C@H]1CCN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])C1 ZINC001156228672 927509598 /nfs/dbraw/zinc/50/95/98/927509598.db2.gz KDJWIEJLHAFUFK-ZETCQYMHSA-N 1 0 293.714 1.729 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)nn2)C1 ZINC001168977765 927563031 /nfs/dbraw/zinc/56/30/31/927563031.db2.gz LRPWDCLFMFUPFO-RKDXNWHRSA-N 1 0 270.720 1.665 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC23CCOCC3)C1 ZINC001168979210 927565489 /nfs/dbraw/zinc/56/54/89/927565489.db2.gz XENRHACDAXJERR-IJLUTSLNSA-N 1 0 254.330 1.591 20 5 CDBDRO O=C1CCC2(CCC([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)N1 ZINC001168979493 927567541 /nfs/dbraw/zinc/56/75/41/927567541.db2.gz YPMWNRKYFUUUJG-KLNSDEMFSA-N 1 0 295.383 1.613 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](CO)c2ccccn2)C1 ZINC001168986127 927568761 /nfs/dbraw/zinc/56/87/61/927568761.db2.gz WFZBVUDEPADSNA-NQBHXWOUSA-N 1 0 265.313 1.150 20 5 CDBDRO O=C(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)Cc1ccccc1 ZINC001168985890 927577339 /nfs/dbraw/zinc/57/73/39/927577339.db2.gz VJKWQUOTLINKBU-KGLIPLIRSA-N 1 0 276.336 1.833 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ncc(F)cn2)C1 ZINC001168964514 927587730 /nfs/dbraw/zinc/58/77/30/927587730.db2.gz ULVJYNANXXKMGG-SCZZXKLOSA-N 1 0 254.265 1.151 20 5 CDBDRO CC(C)(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cnccn1 ZINC001168965945 927588918 /nfs/dbraw/zinc/58/89/18/927588918.db2.gz DXGNDIFGFVEWGG-NEPJUHHUSA-N 1 0 278.356 1.789 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCN2CCSCC2)C1 ZINC001168969554 927591476 /nfs/dbraw/zinc/59/14/76/927591476.db2.gz FFLXXSRYIXOCGK-NWDGAFQWSA-N 1 0 273.402 1.070 20 5 CDBDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168970715 927594331 /nfs/dbraw/zinc/59/43/31/927594331.db2.gz IQLJPHTUWLUEAJ-LPWJVIDDSA-N 1 0 284.356 1.753 20 5 CDBDRO COc1cccc([C@H](CO)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168972871 927596508 /nfs/dbraw/zinc/59/65/08/927596508.db2.gz BUOXWAWNFHXUEG-WHOFXGATSA-N 1 0 294.351 1.764 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCOc2ccccn2)C1 ZINC001168972636 927596891 /nfs/dbraw/zinc/59/68/91/927596891.db2.gz AKCGQTFZINPERB-VXGBXAGGSA-N 1 0 265.313 1.495 20 5 CDBDRO COc1cccc([C@H](CO)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168972873 927597479 /nfs/dbraw/zinc/59/74/79/927597479.db2.gz BUOXWAWNFHXUEG-ZLDLUXBVSA-N 1 0 294.351 1.764 20 5 CDBDRO O=C(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)Nc1ccc(F)cc1 ZINC001168995036 927601149 /nfs/dbraw/zinc/60/11/49/927601149.db2.gz RBMBVUJAPRGCEN-ZWNOBZJWSA-N 1 0 295.314 1.799 20 5 CDBDRO COCC1(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168998054 927603870 /nfs/dbraw/zinc/60/38/70/927603870.db2.gz HSBCZZBSSXWLOP-STQMWFEESA-N 1 0 286.372 1.465 20 5 CDBDRO C[N@H+](Cc1ncccn1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169008151 927610989 /nfs/dbraw/zinc/61/09/89/927610989.db2.gz RKJOHHCILYGVNQ-QWRGUYRKSA-N 1 0 250.302 1.354 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(C3CCC3)CC2)C1 ZINC001169007708 927611801 /nfs/dbraw/zinc/61/18/01/927611801.db2.gz PTSKTVDJNQGVBS-JSGCOSHPSA-N 1 0 267.373 1.602 20 5 CDBDRO [NH2+]=C(N[C@H]1CC[C@@H](C[N+](=O)[O-])C1)n1nnc2ccccc21 ZINC001169007376 927611955 /nfs/dbraw/zinc/61/19/55/927611955.db2.gz MYQYCHPXBLJTAY-ZJUUUORDSA-N 1 0 288.311 1.249 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@](O)(CF)CC2)C1 ZINC001169011281 927616166 /nfs/dbraw/zinc/61/61/66/927616166.db2.gz JDXHNNDRLNPRTD-JHJVBQTASA-N 1 0 274.336 1.618 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2ccccc2O)C1 ZINC001168986645 927621884 /nfs/dbraw/zinc/62/18/84/927621884.db2.gz YCIZMPVFFNVMQC-DGCLKSJQSA-N 1 0 264.325 1.970 20 5 CDBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168986617 927622084 /nfs/dbraw/zinc/62/20/84/927622084.db2.gz XQFACRJUQZHXQW-WUHRBBMRSA-N 1 0 284.356 1.753 20 5 CDBDRO Cc1cc(C[N@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)n(C)n1 ZINC001169027498 927632935 /nfs/dbraw/zinc/63/29/35/927632935.db2.gz QJACGIQJWIVYAD-VXGBXAGGSA-N 1 0 266.345 1.606 20 5 CDBDRO COC(=O)C1(C)CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169033584 927640229 /nfs/dbraw/zinc/64/02/29/927640229.db2.gz CAVQHKQCCPQWPD-VXGBXAGGSA-N 1 0 284.356 1.707 20 5 CDBDRO CC1(C)C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCO1 ZINC001169037757 927646739 /nfs/dbraw/zinc/64/67/39/927646739.db2.gz UCEHNNNKKZEMKY-VXGBXAGGSA-N 1 0 256.346 1.933 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCn3cncc3C2)C1 ZINC001169037479 927647631 /nfs/dbraw/zinc/64/76/31/927647631.db2.gz RYJJQJCPHQFXMA-GHMZBOCLSA-N 1 0 250.302 1.144 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CC[C@H](N3CCCC3)C2)C1 ZINC001169039735 927650841 /nfs/dbraw/zinc/65/08/41/927650841.db2.gz SUTRDHLPEDMSMH-IHRRRGAJSA-N 1 0 267.373 1.602 20 5 CDBDRO C[C@H]1C[C@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@H]2O1 ZINC001169017567 927656612 /nfs/dbraw/zinc/65/66/12/927656612.db2.gz APZQGAYIWKUPQW-QSLWVIQJSA-N 1 0 268.357 1.931 20 5 CDBDRO CNCC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001169042864 927657769 /nfs/dbraw/zinc/65/77/69/927657769.db2.gz GOZVYYCVZHRIHM-NWDGAFQWSA-N 1 0 257.378 1.752 20 5 CDBDRO O=C1NCC[C@]12CCC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169023504 927664083 /nfs/dbraw/zinc/66/40/83/927664083.db2.gz VBSVFVVGQJCIND-BZPMIXESSA-N 1 0 281.356 1.034 20 5 CDBDRO COC(=O)C[C@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169053880 927673137 /nfs/dbraw/zinc/67/31/37/927673137.db2.gz JXVKEKUJXAPIDC-QJPTWQEYSA-N 1 0 270.329 1.317 20 5 CDBDRO O=C(OCCCn1ccnc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000784218806 937295188 /nfs/dbraw/zinc/29/51/88/937295188.db2.gz WYRNZIDERBQSLX-UHFFFAOYSA-N 1 0 291.263 1.744 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1ccc(N(C)C)cc1[N+](=O)[O-] ZINC001170864220 930520772 /nfs/dbraw/zinc/52/07/72/930520772.db2.gz RXEJKDYAQMODDG-GFCCVEGCSA-N 1 0 268.317 1.130 20 5 CDBDRO COc1cc2ncnc(NCC(C)(C)[NH3+])c2cc1[N+](=O)[O-] ZINC001160031751 931152044 /nfs/dbraw/zinc/15/20/44/931152044.db2.gz CWWPBEVJEKWBML-UHFFFAOYSA-N 1 0 291.311 1.696 20 5 CDBDRO CC[N@@H+]1CCN(c2c(C)cncc2[N+](=O)[O-])C[C@@H]1C ZINC001117262313 937505042 /nfs/dbraw/zinc/50/50/42/937505042.db2.gz SYCAHXZYAXCQRS-NSHDSACASA-N 1 0 264.329 1.829 20 5 CDBDRO Cc1nc(Cl)nc(Nc2ccc(C[NH3+])nc2)c1[N+](=O)[O-] ZINC001160396026 931519816 /nfs/dbraw/zinc/51/98/16/931519816.db2.gz BANIKTJWDFLQRX-UHFFFAOYSA-N 1 0 294.702 1.944 20 5 CDBDRO Cc1cc(Cl)nc(NC/C=C/C[NH3+])c1[N+](=O)[O-] ZINC001160977458 932274550 /nfs/dbraw/zinc/27/45/50/932274550.db2.gz XTDYKLWCGCHOTA-NSCUHMNNSA-N 1 0 256.693 1.878 20 5 CDBDRO Cc1nc(N[C@@H]2CCC[C@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC001154990162 937617178 /nfs/dbraw/zinc/61/71/78/937617178.db2.gz XUTFNMIQHBZRFL-DTWKUNHWSA-N 1 0 251.290 1.375 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001155915915 937688619 /nfs/dbraw/zinc/68/86/19/937688619.db2.gz JUCPWECRZGJPIA-ZETCQYMHSA-N 1 0 274.708 1.244 20 5 CDBDRO CC[N@@H+]1CCN(c2cc(N)c([N+](=O)[O-])cn2)[C@H](C)C1 ZINC001120931659 937848110 /nfs/dbraw/zinc/84/81/10/937848110.db2.gz JPURQRUYJFFOSR-SECBINFHSA-N 1 0 265.317 1.102 20 5 CDBDRO C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC001122251999 937915676 /nfs/dbraw/zinc/91/56/76/937915676.db2.gz HOVOVDJURIBDRM-LSJOCFKGSA-N 1 0 263.297 1.509 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]CC1)c1c(F)cccc1[N+](=O)[O-] ZINC001122581161 937943665 /nfs/dbraw/zinc/94/36/65/937943665.db2.gz DGAFOPOQVMKMME-JTQLQIEISA-N 1 0 295.314 1.853 20 5 CDBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C2(CC2)C1 ZINC001156427680 938366354 /nfs/dbraw/zinc/36/63/54/938366354.db2.gz XWGUSBDAIRMZFJ-VIFPVBQESA-N 1 0 289.339 1.450 20 5 CDBDRO C[C@@H]1CN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)CC[NH2+]1 ZINC001156699999 938407325 /nfs/dbraw/zinc/40/73/25/938407325.db2.gz IRSQTZBAJLCZNX-LLVKDONJSA-N 1 0 299.334 1.850 20 5 CDBDRO C[NH2+]CCNc1nc(Cl)nc(SC)c1[N+](=O)[O-] ZINC001156893781 938427754 /nfs/dbraw/zinc/42/77/54/938427754.db2.gz ULGAXGKBCRZEBU-UHFFFAOYSA-N 1 0 277.737 1.391 20 5 CDBDRO CC(C)[N@H+](C)[C@H]1CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001157002262 938445093 /nfs/dbraw/zinc/44/50/93/938445093.db2.gz WBJJFFMDLLYAOB-LBPRGKRZSA-N 1 0 280.328 1.147 20 5 CDBDRO COc1cc(N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)ncc1[N+](=O)[O-] ZINC001157266647 938472752 /nfs/dbraw/zinc/47/27/52/938472752.db2.gz VRSGURSMRGHPQM-JQWIXIFHSA-N 1 0 292.339 1.529 20 5 CDBDRO CN(C)/C=C/c1cc(-n2cc(C[NH3+])cn2)ncc1[N+](=O)[O-] ZINC001157478578 938499652 /nfs/dbraw/zinc/49/96/52/938499652.db2.gz REVSKTQYPRAJLA-ONEGZZNKSA-N 1 0 288.311 1.167 20 5 CDBDRO CC1(C)CC(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001157766898 938543017 /nfs/dbraw/zinc/54/30/17/938543017.db2.gz BKFZZCPDNBOOSM-VXGBXAGGSA-N 1 0 283.372 1.184 20 5 CDBDRO [NH3+]C[C@@]1(F)CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001157817805 938551503 /nfs/dbraw/zinc/55/15/03/938551503.db2.gz ZBQNZTYYNLJIKD-ZDUSSCGKSA-N 1 0 291.286 1.415 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(-n2cc3c(n2)CC[C@H]([NH3+])C3)n1 ZINC001157987571 938572252 /nfs/dbraw/zinc/57/22/52/938572252.db2.gz GKDJIRNKXHPDFY-NSHDSACASA-N 1 0 287.323 1.608 20 5 CDBDRO Cc1nc(Cl)nc(N2C[C@@H](C)[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC001158172418 938590584 /nfs/dbraw/zinc/59/05/84/938590584.db2.gz GTAFYBIWXJBYTC-RNFRBKRXSA-N 1 0 285.735 1.533 20 5 CDBDRO CCN(c1nc(C)ncc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC001158205143 938595280 /nfs/dbraw/zinc/59/52/80/938595280.db2.gz LNWFQYILAXGVKO-JTQLQIEISA-N 1 0 265.317 1.272 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[N@@H+]4CC[C@H]4C3)c2c1 ZINC001158423229 938621626 /nfs/dbraw/zinc/62/16/26/938621626.db2.gz JFRXHIHXNONGSB-NSHDSACASA-N 1 0 285.307 1.432 20 5 CDBDRO O=[N+]([O-])c1cccc2ccc(N[C@H]3C[NH2+]C[C@@H]3CO)nc21 ZINC001159674728 938744286 /nfs/dbraw/zinc/74/42/86/938744286.db2.gz AWJUYZWWNFVMLM-MNOVXSKESA-N 1 0 288.307 1.135 20 5 CDBDRO COCCC1([NH3+])CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC001162041023 938953330 /nfs/dbraw/zinc/95/33/30/938953330.db2.gz AEMITVSNJXONLP-UHFFFAOYSA-N 1 0 294.355 1.632 20 5 CDBDRO Cc1c[n+]([O-])c(NC[C@H]2CCC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC001162456693 939059434 /nfs/dbraw/zinc/05/94/34/939059434.db2.gz YOCFFXGGCOWZKW-CMPLNLGQSA-N 1 0 294.355 1.584 20 5 CDBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001162456088 939059601 /nfs/dbraw/zinc/05/96/01/939059601.db2.gz GCLJEXCHATZWIH-MNOVXSKESA-N 1 0 294.355 1.341 20 5 CDBDRO Cc1c(C)c([N+](=O)[O-])cnc1N[C@@H]1C=C[C@H]2C[NH2+]C[C@@H]21 ZINC001162792162 939141345 /nfs/dbraw/zinc/14/13/45/939141345.db2.gz FRQFLCBFQYPWHG-SDDRHHMPSA-N 1 0 274.324 1.793 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)n1 ZINC001162793722 939141832 /nfs/dbraw/zinc/14/18/32/939141832.db2.gz MGZDSIMKWHMNIL-GRYCIOLGSA-N 1 0 274.324 1.793 20 5 CDBDRO CC(C)N(c1nc(Cl)ncc1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC001163186809 939221350 /nfs/dbraw/zinc/22/13/50/939221350.db2.gz NZUVBAFFTNEKBA-UHFFFAOYSA-N 1 0 287.751 1.990 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nc1 ZINC001163268072 939236381 /nfs/dbraw/zinc/23/63/81/939236381.db2.gz ACILBWKXCFFSAH-FZMZJTMJSA-N 1 0 292.339 1.560 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1N1CC[C@@H]([NH3+])C1 ZINC001164289127 939447685 /nfs/dbraw/zinc/44/76/85/939447685.db2.gz VIEZEOWKVPORPB-SSDOTTSWSA-N 1 0 299.714 1.572 20 5 CDBDRO Cc1cc(=NOCC[NH3+])nc(-c2cccc([N+](=O)[O-])c2)[nH]1 ZINC001164423380 939472536 /nfs/dbraw/zinc/47/25/36/939472536.db2.gz BIZACBQGEMOAPJ-UHFFFAOYSA-N 1 0 289.295 1.662 20 5 CDBDRO Cc1nc(N2C[C@H](C[NH3+])CC[C@H]2C)ncc1[N+](=O)[O-] ZINC001164473523 939477094 /nfs/dbraw/zinc/47/70/94/939477094.db2.gz HKDAPHNGZIVDJA-SCZZXKLOSA-N 1 0 265.317 1.257 20 5 CDBDRO CC[NH+]1CCC(N(C)c2nc(C)ncc2[N+](=O)[O-])CC1 ZINC001165068122 939506201 /nfs/dbraw/zinc/50/62/01/939506201.db2.gz LGVNLNSKHQLWPC-UHFFFAOYSA-N 1 0 279.344 1.614 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@H]2C[NH+](C)C)n1 ZINC001165072678 939506759 /nfs/dbraw/zinc/50/67/59/939506759.db2.gz NWKSASYYNKZQJI-SNVBAGLBSA-N 1 0 295.343 1.232 20 5 CDBDRO C[NH+]1C[C@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)C[C@@H]2C1 ZINC001165151402 939519838 /nfs/dbraw/zinc/51/98/38/939519838.db2.gz UPYTYVYXUILDEZ-QWRGUYRKSA-N 1 0 299.334 1.536 20 5 CDBDRO [NH3+]CC1(F)CCN(c2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001165259553 939535319 /nfs/dbraw/zinc/53/53/19/939535319.db2.gz NNECBYYLMCSCQO-UHFFFAOYSA-N 1 0 288.710 1.910 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC[C@@H]3[NH2+]C[C@@H]32)n1 ZINC001165394707 939558266 /nfs/dbraw/zinc/55/82/66/939558266.db2.gz XPBXGJFKYCRZKT-UWVGGRQHSA-N 1 0 282.731 1.892 20 5 CDBDRO CC[N+](C)(C)Cc1ccccc1N[C@@H]1CCN(C)C1=O ZINC001166685521 939626376 /nfs/dbraw/zinc/62/63/76/939626376.db2.gz FZFJBNDJNWVUKS-OAHLLOKOSA-N 1 0 276.404 1.926 20 5 CDBDRO COc1cc(CO[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC001217858128 941024193 /nfs/dbraw/zinc/02/41/93/941024193.db2.gz ZEUDHHBGSLVMGU-NSHDSACASA-N 1 0 296.323 1.881 20 5 CDBDRO COC(=O)c1sc([N+](=O)[O-])cc1O[C@H]1CCC[NH2+]C1 ZINC001218283583 941051098 /nfs/dbraw/zinc/05/10/98/941051098.db2.gz PETCVYUXHCHLEQ-ZETCQYMHSA-N 1 0 286.309 1.574 20 5 CDBDRO [NH3+]Cc1cccc(O[C@H](C[N+](=O)[O-])c2cccnc2)c1 ZINC001218296508 941053418 /nfs/dbraw/zinc/05/34/18/941053418.db2.gz NSJCOYHQSCGABK-CQSZACIVSA-N 1 0 273.292 1.937 20 5 CDBDRO CC(C)[N@@H+]1CCCC[C@H]1Cn1ncc([N+](=O)[O-])c1N ZINC001330061078 941554141 /nfs/dbraw/zinc/55/41/41/941554141.db2.gz WQVUWUOYOCPJCH-JTQLQIEISA-N 1 0 267.333 1.636 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCc1cc(=O)n2ccsc2n1 ZINC001222890111 941638993 /nfs/dbraw/zinc/63/89/93/941638993.db2.gz RSACPHJRTYAUMZ-JTQLQIEISA-N 1 0 282.389 1.367 20 5 CDBDRO CCOC(=O)c1cc(CO[C@@H](C)C[N+](C)(C)C)on1 ZINC001224259836 941734951 /nfs/dbraw/zinc/73/49/51/941734951.db2.gz DMFCLLQTJATGIU-JTQLQIEISA-N 1 0 271.337 1.463 20 5 CDBDRO CC/C=C\CCOC(=O)[C@H](C)OCC[N+](C)(C)C ZINC001224776268 941789907 /nfs/dbraw/zinc/78/99/07/941789907.db2.gz UDSJCVSJDKTLNQ-WSROAFLRSA-N 1 0 258.382 1.997 20 5 CDBDRO C[N+](C)(C)CCOC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001224772193 941790464 /nfs/dbraw/zinc/79/04/64/941790464.db2.gz WQWUMPJSHPFUMB-KRWDZBQOSA-N 1 0 293.431 1.610 20 5 CDBDRO Cc1nc(Cl)nc(O[C@@H](C)C[N+](C)(C)C)c1[N+](=O)[O-] ZINC001227340958 942168145 /nfs/dbraw/zinc/16/81/45/942168145.db2.gz SBBMMULKIXIVGF-ZETCQYMHSA-N 1 0 289.743 1.820 20 5 CDBDRO COC(=O)c1ccc(O)c(O[C@H](C)C[N+](C)(C)C)n1 ZINC001227825600 942233443 /nfs/dbraw/zinc/23/34/43/942233443.db2.gz MMIAPPGXWKVTFV-SECBINFHSA-O 1 0 269.321 1.047 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1[nH]c(=S)nc2cnccc21 ZINC001227885307 942240486 /nfs/dbraw/zinc/24/04/86/942240486.db2.gz MFXPKBHONKVLRA-VIFPVBQESA-O 1 0 279.389 1.787 20 5 CDBDRO C[C@H](C[NH+](C)C)Oc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001229399174 942464591 /nfs/dbraw/zinc/46/45/91/942464591.db2.gz GXQFQHTXVFLPOU-SECBINFHSA-N 1 0 276.296 1.867 20 5 CDBDRO CCOC(=O)c1c(C)[nH]c(=O)cc1O[C@H](C)C[N+](C)(C)C ZINC001231160298 942803818 /nfs/dbraw/zinc/80/38/18/942803818.db2.gz MXTLWKMTLZXHQY-SNVBAGLBSA-O 1 0 297.375 1.746 20 5 CDBDRO CS[C@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)C[C@H]1[NH+](C)C ZINC001262688986 943670495 /nfs/dbraw/zinc/67/04/95/943670495.db2.gz KRAALCPVDHWWME-MNOVXSKESA-N 1 0 297.384 1.054 20 5 CDBDRO COC(=O)C(C)(C)[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC001262239204 946534687 /nfs/dbraw/zinc/53/46/87/946534687.db2.gz SHZRXNALZZIIAN-GFCCVEGCSA-N 1 0 280.324 1.793 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC001254551808 947520798 /nfs/dbraw/zinc/52/07/98/947520798.db2.gz GANABDGCEVRGNV-MISXGVKJSA-N 1 0 264.325 1.838 20 5 CDBDRO O=C1CC[C@@H](C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CN1 ZINC001254574718 947533508 /nfs/dbraw/zinc/53/35/08/947533508.db2.gz KNIYNXYBSWDTQR-GXFFZTMASA-N 1 0 289.335 1.178 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCOC1)C2 ZINC001254576380 947534971 /nfs/dbraw/zinc/53/49/71/947534971.db2.gz WCFJAZZSSSTUJJ-MFKMUULPSA-N 1 0 262.309 1.688 20 5 CDBDRO Cc1cc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)n(C)n1 ZINC001254580732 947537812 /nfs/dbraw/zinc/53/78/12/947537812.db2.gz FACUGRQJCFKJMX-ZDUSSCGKSA-N 1 0 286.335 1.894 20 5 CDBDRO CCOC(=O)CCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254583911 947541111 /nfs/dbraw/zinc/54/11/11/947541111.db2.gz OWWZNTJGVNTMEZ-ZDUSSCGKSA-N 1 0 292.335 1.995 20 5 CDBDRO C[C@]1(O)CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254592460 947543809 /nfs/dbraw/zinc/54/38/09/947543809.db2.gz DNEOECIJNHLVAX-KBPBESRZSA-N 1 0 262.309 1.519 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@H]3OCC[C@H]31)C2 ZINC001254595438 947546010 /nfs/dbraw/zinc/54/60/10/947546010.db2.gz XJCOLOAAUQBBOW-RBSFLKMASA-N 1 0 274.320 1.925 20 5 CDBDRO C[C@@]1(O)CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601389 947549305 /nfs/dbraw/zinc/54/93/05/947549305.db2.gz ZATHQKFFPKSXCW-LSDHHAIUSA-N 1 0 276.336 1.909 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC001326453535 954389919 /nfs/dbraw/zinc/38/99/19/954389919.db2.gz XSEUMQIWXZKNDE-UWVGGRQHSA-N 1 0 292.339 1.494 20 5 CDBDRO CC(C)(C[NH3+])C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326570052 954434863 /nfs/dbraw/zinc/43/48/63/954434863.db2.gz POBVEFLJPXKQNV-UHFFFAOYSA-N 1 0 263.297 1.422 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[NH2+]CC1 ZINC001326970684 954645601 /nfs/dbraw/zinc/64/56/01/954645601.db2.gz KLQFBAJYGNHBCQ-UHFFFAOYSA-N 1 0 278.312 1.072 20 5 CDBDRO O=C(CC[C@H]1CC[NH2+]C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328189793 955219728 /nfs/dbraw/zinc/21/97/28/955219728.db2.gz LXWUEURGTXLSKW-NSHDSACASA-N 1 0 289.335 1.827 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NCC[N@H+]1CC=CCC1 ZINC001328610118 955372784 /nfs/dbraw/zinc/37/27/84/955372784.db2.gz OWTPTJGCGVWDMC-UHFFFAOYSA-N 1 0 262.313 1.394 20 5 CDBDRO Cc1nc(NCC[C@H](C)[NH+](C)C)ncc1[N+](=O)[O-] ZINC001330079936 956268018 /nfs/dbraw/zinc/26/80/18/956268018.db2.gz RZTZXSQWYJETMF-QMMMGPOBSA-N 1 0 253.306 1.445 20 5 CDBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC3(CCO)CC3)nc2c1 ZINC001308705497 956564351 /nfs/dbraw/zinc/56/43/51/956564351.db2.gz ODJDJOPGFHSMSI-UHFFFAOYSA-N 1 0 291.307 1.988 20 5 CDBDRO C[NH+](C)C1CN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001331749721 957243226 /nfs/dbraw/zinc/24/32/26/957243226.db2.gz RAACRYLHHYLEEP-UHFFFAOYSA-N 1 0 282.275 1.512 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001331760444 957247687 /nfs/dbraw/zinc/24/76/87/957247687.db2.gz VXSGTHMUCUBDKK-QWHCGFSZSA-N 1 0 294.355 1.601 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1C ZINC001333178910 958134864 /nfs/dbraw/zinc/13/48/64/958134864.db2.gz VZDWNRMLGJFHOX-IWIIMEHWSA-N 1 0 275.308 1.159 20 5 CDBDRO COc1cccc(N2CCC([NH2+]CC[N+](=O)[O-])CC2)c1 ZINC001335302598 959694492 /nfs/dbraw/zinc/69/44/92/959694492.db2.gz BDZSECJKYUBEQX-UHFFFAOYSA-N 1 0 279.340 1.530 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NCCC[NH+]1CCCC1 ZINC001335405151 959780217 /nfs/dbraw/zinc/78/02/17/959780217.db2.gz KKZURFWJUPTKNE-UHFFFAOYSA-N 1 0 253.306 1.226 20 5 CDBDRO C[NH+](C)C1(CNc2cc(N)c([N+](=O)[O-])cn2)CCCC1 ZINC001337773818 961417149 /nfs/dbraw/zinc/41/71/49/961417149.db2.gz CQKXTNMUYPJKAC-UHFFFAOYSA-N 1 0 279.344 1.858 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1-c1nnc(CN(C)C)o1 ZINC001346663568 965199248 /nfs/dbraw/zinc/19/92/48/965199248.db2.gz WORDMPXQTJPIFH-UHFFFAOYSA-N 1 0 278.268 1.715 20 5 CDBDRO CC1(C)C[NH2+][C@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001348941266 966234007 /nfs/dbraw/zinc/23/40/07/966234007.db2.gz HFBVAGRDTQBMGF-LBPRGKRZSA-N 1 0 275.308 1.435 20 5 CDBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1NC ZINC001577309566 1171641283 /nfs/dbraw/zinc/64/12/83/1171641283.db2.gz XYAHSDLBFMSOKO-QWRGUYRKSA-N 1 0 292.339 1.963 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCCN1c1ncc([N+](=O)[O-])s1 ZINC000601189264 342488282 /nfs/dbraw/zinc/48/82/82/342488282.db2.gz PIFDKKNERMJLLF-VIFPVBQESA-N 1 0 270.358 1.972 20 5 CDBDRO C[NH+](C)CCCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000006419441 282086900 /nfs/dbraw/zinc/08/69/00/282086900.db2.gz VJTSQTNVNJHLPC-CMDGGOBGSA-N 1 0 277.324 1.676 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000124490023 187139741 /nfs/dbraw/zinc/13/97/41/187139741.db2.gz LILSQMUHOIRZFN-LLVKDONJSA-N 1 0 277.324 1.348 20 5 CDBDRO CCC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000590025576 342520326 /nfs/dbraw/zinc/52/03/26/342520326.db2.gz MSWXBYKTRCYZFG-UHFFFAOYSA-N 1 0 295.339 1.561 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000601330897 342554812 /nfs/dbraw/zinc/55/48/12/342554812.db2.gz YYPOEFWJAGLRDI-BDAKNGLRSA-N 1 0 253.277 1.655 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000070172066 361737733 /nfs/dbraw/zinc/73/77/33/361737733.db2.gz ABLCTXDXRCSQPB-YPMHNXCESA-N 1 0 291.351 1.723 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000382435942 361744483 /nfs/dbraw/zinc/74/44/83/361744483.db2.gz VQVVFMLYCCZZOD-WFMXKNRHSA-N 1 0 289.335 1.852 20 5 CDBDRO C[C@@H](Cn1cncn1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000608782109 342039968 /nfs/dbraw/zinc/03/99/68/342039968.db2.gz NXJVHWOQDSONBN-JTQLQIEISA-N 1 0 261.285 1.365 20 5 CDBDRO C[C@@H]1[C@H](O)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000590661412 342581384 /nfs/dbraw/zinc/58/13/84/342581384.db2.gz GNWFYGZAIPXHRL-PRHODGIISA-N 1 0 252.270 1.256 20 5 CDBDRO CC(C)[C@@H]1CN(c2cccnc2[N+](=O)[O-])CC[N@@H+]1C ZINC000616999853 342600514 /nfs/dbraw/zinc/60/05/14/342600514.db2.gz CDLOSLFDKBKCRE-LBPRGKRZSA-N 1 0 264.329 1.766 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCCn1cncn1 ZINC000609140497 342092003 /nfs/dbraw/zinc/09/20/03/342092003.db2.gz SSGBIVYMJMBIJZ-ZZXKWVIFSA-N 1 0 287.323 1.879 20 5 CDBDRO Cc1cc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)ccc1[N+](=O)[O-] ZINC000591296380 342624443 /nfs/dbraw/zinc/62/44/43/342624443.db2.gz CKAHOLBTTLPGDX-MFKMUULPSA-N 1 0 290.323 1.729 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[NH2+]C1CC1 ZINC000591299347 342624546 /nfs/dbraw/zinc/62/45/46/342624546.db2.gz HNQBGWCBNDCXLF-UHFFFAOYSA-N 1 0 294.311 1.477 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000591303505 342624648 /nfs/dbraw/zinc/62/46/48/342624648.db2.gz FPMSYPASOFSOCL-VIFPVBQESA-N 1 0 296.302 1.937 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000591667922 342641106 /nfs/dbraw/zinc/64/11/06/342641106.db2.gz GGCXUYIOIUCBTN-CABZTGNLSA-N 1 0 277.324 1.770 20 5 CDBDRO CC1(C)C[NH2+][C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000591672225 342641370 /nfs/dbraw/zinc/64/13/70/342641370.db2.gz CUSPUOCZXAKJNS-LBPRGKRZSA-N 1 0 293.323 1.088 20 5 CDBDRO CC1(C)C[NH2+]CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000591678322 342641622 /nfs/dbraw/zinc/64/16/22/342641622.db2.gz NNASTPSKZYNPKQ-UHFFFAOYSA-N 1 0 291.351 1.738 20 5 CDBDRO CC1(C)CC(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591762663 342644643 /nfs/dbraw/zinc/64/46/43/342644643.db2.gz PNUUKAWONNLIBL-LBPRGKRZSA-N 1 0 282.344 1.178 20 5 CDBDRO CC[C@@H](O)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000591763541 342645293 /nfs/dbraw/zinc/64/52/93/342645293.db2.gz ABUWJKALQRCKJG-SECBINFHSA-N 1 0 264.285 1.332 20 5 CDBDRO CC[C@@H]1C[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591765669 342645777 /nfs/dbraw/zinc/64/57/77/342645777.db2.gz VASWJGVMGFNGCG-GRYCIOLGSA-N 1 0 280.324 1.723 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000592243975 342680978 /nfs/dbraw/zinc/68/09/78/342680978.db2.gz PPSUEZZKCXCNIV-WCQYABFASA-N 1 0 289.335 1.727 20 5 CDBDRO Cc1nc([N+](=O)[O-])cn1CCc1nc([C@H]2CCC[NH2+]2)no1 ZINC000592356708 342687910 /nfs/dbraw/zinc/68/79/10/342687910.db2.gz FYYKRMKLYUHOCY-SECBINFHSA-N 1 0 292.299 1.150 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000592489217 342695986 /nfs/dbraw/zinc/69/59/86/342695986.db2.gz KCLZYKHMCSDOBF-PMEZXALUSA-N 1 0 275.308 1.522 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000592475188 342698982 /nfs/dbraw/zinc/69/89/82/342698982.db2.gz ASDCTNRRKHDESA-SMDDNHRTSA-N 1 0 295.339 1.022 20 5 CDBDRO Cc1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1[N+](=O)[O-] ZINC000592477643 342699079 /nfs/dbraw/zinc/69/90/79/342699079.db2.gz GCMKWJDVCZDMPI-IEBDPFPHSA-N 1 0 261.281 1.592 20 5 CDBDRO C[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CO1 ZINC000592514091 342700632 /nfs/dbraw/zinc/70/06/32/342700632.db2.gz UOMHNUPVGWHMOT-RKDXNWHRSA-N 1 0 276.296 1.738 20 5 CDBDRO COc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(F)c1 ZINC000593606713 342818439 /nfs/dbraw/zinc/81/84/39/342818439.db2.gz XMDHKWAIVCLYJC-UHFFFAOYSA-N 1 0 294.286 1.729 20 5 CDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000593902872 342853800 /nfs/dbraw/zinc/85/38/00/342853800.db2.gz YPQQPTCCKRZHFZ-LLVKDONJSA-N 1 0 277.324 1.601 20 5 CDBDRO C[C@H]([NH2+]CC[C@H]1CCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000593970977 342858832 /nfs/dbraw/zinc/85/88/32/342858832.db2.gz BCLIFVLICTVQIH-QWRGUYRKSA-N 1 0 277.324 1.772 20 5 CDBDRO CCN(CC[NH3+])[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000600715622 342244125 /nfs/dbraw/zinc/24/41/25/342244125.db2.gz HJIZCUXKKHPFOH-NSHDSACASA-N 1 0 294.355 1.511 20 5 CDBDRO CCN(CC[NH3+])Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000600717224 342244378 /nfs/dbraw/zinc/24/43/78/342244378.db2.gz PJSGKOCCKNMAEA-UHFFFAOYSA-N 1 0 291.311 1.425 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)CCOCC[NH3+] ZINC000600735670 342246234 /nfs/dbraw/zinc/24/62/34/342246234.db2.gz NIITYUBDQBKYLN-UHFFFAOYSA-N 1 0 297.355 1.401 20 5 CDBDRO CN(CCOCC[NH3+])Cc1ccc([N+](=O)[O-])cc1Cl ZINC000600776758 342248681 /nfs/dbraw/zinc/24/86/81/342248681.db2.gz RUYGSRDKHULDKM-UHFFFAOYSA-N 1 0 287.747 1.655 20 5 CDBDRO CCn1ccc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)c1 ZINC000616786373 342271086 /nfs/dbraw/zinc/27/10/86/342271086.db2.gz WSXWZRCNBCIWIP-UHFFFAOYSA-N 1 0 277.328 1.745 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)CO ZINC000595010429 342990213 /nfs/dbraw/zinc/99/02/13/342990213.db2.gz CHFCCCHAFQFWHE-RKDXNWHRSA-N 1 0 254.286 1.635 20 5 CDBDRO O=C(N[C@@H]1CC[NH2+]C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000126108987 187218378 /nfs/dbraw/zinc/21/83/78/187218378.db2.gz ZXOZZMHTVWWILD-SECBINFHSA-N 1 0 269.688 1.340 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[NH+]1CCCC1 ZINC000075847402 342315060 /nfs/dbraw/zinc/31/50/60/342315060.db2.gz WDKWQGAVXZQLFO-VIFPVBQESA-N 1 0 283.353 1.870 20 5 CDBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(CCn1ccc([N+](=O)[O-])n1)C2 ZINC000595507748 343080087 /nfs/dbraw/zinc/08/00/87/343080087.db2.gz QCNHGQJFORKOHK-CQSZACIVSA-N 1 0 293.371 1.209 20 5 CDBDRO C[C@@H](CCO)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595564123 343099405 /nfs/dbraw/zinc/09/94/05/343099405.db2.gz PLEMBEKMVZURQL-VIFPVBQESA-N 1 0 256.277 1.937 20 5 CDBDRO Cc1noc(C[N@H+]2CCCC[C@@H]2[C@@H](C)CO)c1[N+](=O)[O-] ZINC000595671369 343127986 /nfs/dbraw/zinc/12/79/86/343127986.db2.gz FBFFFOORTGOOEY-GXSJLCMTSA-N 1 0 283.328 1.874 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000274613141 365735331 /nfs/dbraw/zinc/73/53/31/365735331.db2.gz XIMCZVZFUMBCMF-UHFFFAOYSA-N 1 0 291.351 1.690 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000595984478 343211506 /nfs/dbraw/zinc/21/15/06/343211506.db2.gz URLUOXSNGZTMFQ-SECBINFHSA-N 1 0 265.313 1.170 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000382513740 362129090 /nfs/dbraw/zinc/12/90/90/362129090.db2.gz QFKLMWPBWAUBDV-GHMZBOCLSA-N 1 0 277.324 1.903 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)c1ccccc1[N+](=O)[O-] ZINC000595949188 343194215 /nfs/dbraw/zinc/19/42/15/343194215.db2.gz YUPSEVWSEBUUIU-UHFFFAOYSA-N 1 0 251.286 1.404 20 5 CDBDRO CC[NH+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596090999 343234217 /nfs/dbraw/zinc/23/42/17/343234217.db2.gz ZSQSGQTYTFBBHX-JTQLQIEISA-N 1 0 294.355 1.836 20 5 CDBDRO CC[N@@H+]1CCN(c2ccc(N)c([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000596232612 343262109 /nfs/dbraw/zinc/26/21/09/343262109.db2.gz YLTRIDHHOVTQLY-VIFPVBQESA-N 1 0 265.317 1.102 20 5 CDBDRO CCc1nn(C)c(N2CCC[N@@H+](CC)CC2)c1[N+](=O)[O-] ZINC000092829808 342419433 /nfs/dbraw/zinc/41/94/33/342419433.db2.gz JYRHZSGMWHNQIT-UHFFFAOYSA-N 1 0 281.360 1.423 20 5 CDBDRO COC[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000115295424 342429356 /nfs/dbraw/zinc/42/93/56/342429356.db2.gz SNWOIWGSVGMYFZ-LBPRGKRZSA-N 1 0 279.340 1.752 20 5 CDBDRO CN1CC[NH+](CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000118763367 342429378 /nfs/dbraw/zinc/42/93/78/342429378.db2.gz SPAQHUHOFHUIEV-UHFFFAOYSA-N 1 0 278.356 1.644 20 5 CDBDRO CCc1nn(C)c(N2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000094131920 342429781 /nfs/dbraw/zinc/42/97/81/342429781.db2.gz AYLCULSUKJQSRL-UHFFFAOYSA-N 1 0 295.387 1.669 20 5 CDBDRO NC(=O)C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000588977631 342446648 /nfs/dbraw/zinc/44/66/48/342446648.db2.gz QZVFEIAJTHNUDD-VIFPVBQESA-N 1 0 281.287 1.431 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000142891906 342434446 /nfs/dbraw/zinc/43/44/46/342434446.db2.gz LHEQQTNFLVXQAE-GFCCVEGCSA-N 1 0 262.313 1.664 20 5 CDBDRO Cc1nn(C)c(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000292802961 282272065 /nfs/dbraw/zinc/27/20/65/282272065.db2.gz NLSNBZABGYKGMR-DTORHVGOSA-N 1 0 267.333 1.166 20 5 CDBDRO Cc1ccc(C[N@@H+](C)C2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000597250904 343499217 /nfs/dbraw/zinc/49/92/17/343499217.db2.gz DJWXXSCVKMCXFA-UHFFFAOYSA-N 1 0 294.351 1.877 20 5 CDBDRO C[NH+](C)CC1CN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000597709268 343606545 /nfs/dbraw/zinc/60/65/45/343606545.db2.gz RZVKIPVSNGHQAJ-UHFFFAOYSA-N 1 0 263.297 1.228 20 5 CDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000597696517 343614347 /nfs/dbraw/zinc/61/43/47/343614347.db2.gz BXWNQAKQWZWYIF-TVQRCGJNSA-N 1 0 295.314 1.899 20 5 CDBDRO C[NH2+]C1(CNc2nccc(C)c2[N+](=O)[O-])CCC1 ZINC000598635425 343862681 /nfs/dbraw/zinc/86/26/81/343862681.db2.gz XBSXBMGDWJXCQF-UHFFFAOYSA-N 1 0 250.302 1.852 20 5 CDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)Cc1ccccc1[N+](=O)[O-])C2 ZINC000598667448 343862774 /nfs/dbraw/zinc/86/27/74/343862774.db2.gz HONVHSLEWNFASN-SWLSCSKDSA-N 1 0 289.335 1.477 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598913213 343919057 /nfs/dbraw/zinc/91/90/57/343919057.db2.gz FKTMXTKBAFICOW-IUCAKERBSA-N 1 0 296.302 1.935 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598915775 343920158 /nfs/dbraw/zinc/92/01/58/343920158.db2.gz OPLIWQCHWSCWAL-BDAKNGLRSA-N 1 0 296.302 1.935 20 5 CDBDRO COc1cc(NCC[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1C ZINC000599175954 343966249 /nfs/dbraw/zinc/96/62/49/343966249.db2.gz KXIYEQOWEVFQPA-LLVKDONJSA-N 1 0 295.339 1.390 20 5 CDBDRO COc1cc(C(=O)N[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000127187287 187288395 /nfs/dbraw/zinc/28/83/95/187288395.db2.gz QMTCSFLRWFHVIC-JTQLQIEISA-N 1 0 279.296 1.085 20 5 CDBDRO Cc1cccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000599989180 344160500 /nfs/dbraw/zinc/16/05/00/344160500.db2.gz VCMLFRINDZTLLL-IMRBUKKESA-N 1 0 289.335 1.535 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000602596074 344502653 /nfs/dbraw/zinc/50/26/53/344502653.db2.gz NACBIZRVDPFBIH-MNOVXSKESA-N 1 0 277.324 1.773 20 5 CDBDRO O=C(NCC1=CC[NH2+]CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000602485545 344449217 /nfs/dbraw/zinc/44/92/17/344449217.db2.gz NDLHLTFBMNCXDA-UHFFFAOYSA-N 1 0 279.271 1.383 20 5 CDBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3CCOC3)nc2c1 ZINC000602512606 344459373 /nfs/dbraw/zinc/45/93/73/344459373.db2.gz WAJACPBDXBVNTI-SECBINFHSA-N 1 0 277.280 1.862 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000602541150 344473261 /nfs/dbraw/zinc/47/32/61/344473261.db2.gz VIFMVVOUEZGXMC-UHFFFAOYSA-N 1 0 271.704 1.669 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000602594426 344480517 /nfs/dbraw/zinc/48/05/17/344480517.db2.gz BUUMMCYCPOLKSI-QWRGUYRKSA-N 1 0 293.323 1.312 20 5 CDBDRO C[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)[NH+](C)C ZINC000602593032 344481335 /nfs/dbraw/zinc/48/13/35/344481335.db2.gz GPROXQFMCWGUQZ-VIFPVBQESA-N 1 0 278.312 1.776 20 5 CDBDRO CO[C@@H](C[NH2+]CCn1cc([N+](=O)[O-])cn1)CC(C)C ZINC000602568810 344484520 /nfs/dbraw/zinc/48/45/20/344484520.db2.gz NHLREHQYGJCUIX-GFCCVEGCSA-N 1 0 270.333 1.442 20 5 CDBDRO C[C@@H](O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602575776 344488286 /nfs/dbraw/zinc/48/82/86/344488286.db2.gz KADBYRRTVKGZDL-RXMQYKEDSA-N 1 0 295.158 1.889 20 5 CDBDRO Cc1c(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cccc1[N+](=O)[O-] ZINC000602604328 344489922 /nfs/dbraw/zinc/48/99/22/344489922.db2.gz QBGJBCNTHNTMAW-UWVGGRQHSA-N 1 0 261.281 1.090 20 5 CDBDRO CCC(O)(CC)C[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602918865 344650007 /nfs/dbraw/zinc/65/00/07/344650007.db2.gz UAUILGFPFGWBPT-UHFFFAOYSA-N 1 0 284.360 1.583 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])n1cc(CCC[NH3+])nn1 ZINC000603212939 344744293 /nfs/dbraw/zinc/74/42/93/344744293.db2.gz BMNOOLPMSZOUBZ-JTQLQIEISA-N 1 0 275.312 1.687 20 5 CDBDRO COc1ccc(CN[C@H]2C[C@@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000603430551 344803016 /nfs/dbraw/zinc/80/30/16/344803016.db2.gz AFDOKMRKSROPFH-OLZOCXBDSA-N 1 0 279.340 1.819 20 5 CDBDRO COC[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159821246 362535192 /nfs/dbraw/zinc/53/51/92/362535192.db2.gz RXJDIQXPSYTYFJ-GFCCVEGCSA-N 1 0 295.339 1.115 20 5 CDBDRO Cc1c(C(=O)N[C@]2(C)CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000230730942 345440395 /nfs/dbraw/zinc/44/03/95/345440395.db2.gz XGRJETGGWMGRID-CYBMUJFWSA-N 1 0 263.297 1.385 20 5 CDBDRO C[NH+](C)CCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265749536 362595324 /nfs/dbraw/zinc/59/53/24/362595324.db2.gz YJXCMZNAPMFGPT-UHFFFAOYSA-N 1 0 293.367 1.940 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]CC2(C)C)c1 ZINC000088147825 346013365 /nfs/dbraw/zinc/01/33/65/346013365.db2.gz FOWFHBOSHPONCO-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H]2CCCOC2)cc1 ZINC000038079494 346378031 /nfs/dbraw/zinc/37/80/31/346378031.db2.gz MOZDKCZZXJEOQS-GFCCVEGCSA-N 1 0 280.324 1.990 20 5 CDBDRO CC(C)(C)[C@@H](CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000193095986 535047901 /nfs/dbraw/zinc/04/79/01/535047901.db2.gz GQAKPXSFPXRYML-CHWSQXEVSA-N 1 0 282.340 1.625 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2[nH]nc3ccccc32)c1 ZINC000610890176 346480904 /nfs/dbraw/zinc/48/09/04/346480904.db2.gz NMPUKDUPEDPJHO-UHFFFAOYSA-N 1 0 286.295 1.457 20 5 CDBDRO C[C@H](CNc1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000057838207 347101722 /nfs/dbraw/zinc/10/17/22/347101722.db2.gz QXWQQFICNMJSQK-GFCCVEGCSA-N 1 0 278.356 1.643 20 5 CDBDRO C[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]1 ZINC000611250986 346718600 /nfs/dbraw/zinc/71/86/00/346718600.db2.gz MHYWBWAVSDGMCH-SNVBAGLBSA-N 1 0 293.323 1.160 20 5 CDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000611299155 346740788 /nfs/dbraw/zinc/74/07/88/346740788.db2.gz SEQZGPFQGVHSDW-UWVGGRQHSA-N 1 0 250.302 1.519 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122515695 347652706 /nfs/dbraw/zinc/65/27/06/347652706.db2.gz MLQLYQSNCXUPHQ-SCZZXKLOSA-N 1 0 283.353 1.856 20 5 CDBDRO C[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000086468076 179299379 /nfs/dbraw/zinc/29/93/79/179299379.db2.gz NCFJHICIVGXZDX-LHXDFBSTSA-N 1 0 289.335 1.817 20 5 CDBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccsc1 ZINC000061362680 349993303 /nfs/dbraw/zinc/99/33/03/349993303.db2.gz KLRULWJESAYEPX-CABZTGNLSA-N 1 0 296.352 1.565 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCCC1 ZINC000042763717 348736993 /nfs/dbraw/zinc/73/69/93/348736993.db2.gz PCBHCBVWCDOHFB-UHFFFAOYSA-N 1 0 280.328 1.527 20 5 CDBDRO C[NH+](C)CCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000072530536 349123128 /nfs/dbraw/zinc/12/31/28/349123128.db2.gz PFNUNIXLEXFUCE-UHFFFAOYSA-N 1 0 257.315 1.338 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000072521820 349123312 /nfs/dbraw/zinc/12/33/12/349123312.db2.gz QYMIQLSVRUOSBT-OAHLLOKOSA-N 1 0 291.351 1.896 20 5 CDBDRO C[C@@H]1C[N@H+](CCCNc2cccnc2[N+](=O)[O-])CCCO1 ZINC000617843295 349246016 /nfs/dbraw/zinc/24/60/16/349246016.db2.gz ZFSTYAHHIYGTFK-GFCCVEGCSA-N 1 0 294.355 1.903 20 5 CDBDRO O=[N+]([O-])c1cc2ccccc2nc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000616055140 349271865 /nfs/dbraw/zinc/27/18/65/349271865.db2.gz FPDGFMMKUUUOMH-RYUDHWBXSA-N 1 0 284.319 1.799 20 5 CDBDRO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000090550308 180002819 /nfs/dbraw/zinc/00/28/19/180002819.db2.gz KSMOQEAWNFKKAS-VXGBXAGGSA-N 1 0 279.340 1.877 20 5 CDBDRO CC[N@H+](C)C[C@@H](O)COc1cccc(C)c1[N+](=O)[O-] ZINC000311460610 350685597 /nfs/dbraw/zinc/68/55/97/350685597.db2.gz LUQCVFVFFDEHNF-LLVKDONJSA-N 1 0 268.313 1.595 20 5 CDBDRO COc1ccc(F)cc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000291240804 197965475 /nfs/dbraw/zinc/96/54/75/197965475.db2.gz QOBNKUVRXHBBCP-UHFFFAOYSA-N 1 0 294.286 1.729 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000156421204 351488285 /nfs/dbraw/zinc/48/82/85/351488285.db2.gz OQEOOVQYFDVHCB-JQWIXIFHSA-N 1 0 293.323 1.091 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)CC ZINC000291731690 198073277 /nfs/dbraw/zinc/07/32/77/198073277.db2.gz NVEOVMFMEWDDKO-LBPRGKRZSA-N 1 0 268.313 1.854 20 5 CDBDRO COc1cc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000156729606 188278570 /nfs/dbraw/zinc/27/85/70/188278570.db2.gz BXBMEKWOQITRPC-MNOVXSKESA-N 1 0 293.323 1.461 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000063170522 363277632 /nfs/dbraw/zinc/27/76/32/363277632.db2.gz GABWSKHSPOBJJQ-PORFMDCZSA-N 1 0 263.297 1.462 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]([NH3+])C(C)C ZINC000037029622 363315021 /nfs/dbraw/zinc/31/50/21/363315021.db2.gz HXNMOWTWYJLIRG-LLVKDONJSA-N 1 0 251.286 1.825 20 5 CDBDRO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)S1 ZINC000159852540 363379702 /nfs/dbraw/zinc/37/97/02/363379702.db2.gz LCPVSXATPDIPNL-PHIMTYICSA-N 1 0 297.380 1.582 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000063193322 363382927 /nfs/dbraw/zinc/38/29/27/363382927.db2.gz KUIMQPULQIAAKW-SMDDNHRTSA-N 1 0 291.351 1.866 20 5 CDBDRO CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@@H+]1C ZINC000577811670 356050277 /nfs/dbraw/zinc/05/02/77/356050277.db2.gz CNXBWBJHSMMPSH-ZDUSSCGKSA-N 1 0 294.355 1.346 20 5 CDBDRO CCC[NH+](CCC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174646939 188911565 /nfs/dbraw/zinc/91/15/65/188911565.db2.gz USBNPBDREYNIDP-GFCCVEGCSA-N 1 0 270.333 1.274 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCOCC2)cc1 ZINC000036319773 356203440 /nfs/dbraw/zinc/20/34/40/356203440.db2.gz VFTNEWXILYPJMN-UHFFFAOYSA-N 1 0 250.298 1.906 20 5 CDBDRO COc1cccc(C(=O)NCC[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000578320901 356406843 /nfs/dbraw/zinc/40/68/43/356406843.db2.gz JWEKVSSYTFHHTF-SNVBAGLBSA-N 1 0 293.323 1.333 20 5 CDBDRO C[C@H]1[NH2+]CC[C@@H]1NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001579504399 1172201446 /nfs/dbraw/zinc/20/14/46/1172201446.db2.gz BCWCGRWCWSESLS-MUWHJKNJSA-N 1 0 298.730 1.311 20 5 CDBDRO Cc1cc(N2CC[NH2+]CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000058047170 356609079 /nfs/dbraw/zinc/60/90/79/356609079.db2.gz VYCQYKVFEGAVDE-UHFFFAOYSA-N 1 0 299.334 1.770 20 5 CDBDRO C[C@]1(C[NH3+])CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000261886188 357338334 /nfs/dbraw/zinc/33/83/34/357338334.db2.gz VCEAUDMVHSHQQS-CQSZACIVSA-N 1 0 279.340 1.644 20 5 CDBDRO COCC[N@@H+]1CC[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000264559490 357379346 /nfs/dbraw/zinc/37/93/46/357379346.db2.gz FFHVUFWKRVPDQT-NSHDSACASA-N 1 0 265.313 1.727 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@H+](CC)CC1 ZINC000360904958 357739430 /nfs/dbraw/zinc/73/94/30/357739430.db2.gz WQCCAUHBXXWDOT-UHFFFAOYSA-N 1 0 281.360 1.652 20 5 CDBDRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000036256875 357818119 /nfs/dbraw/zinc/81/81/19/357818119.db2.gz RJFVWKLJJDYCFK-NSHDSACASA-N 1 0 289.335 1.999 20 5 CDBDRO C[C@H]1C[N@H+](C)C[C@@H]1c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000361251901 358019562 /nfs/dbraw/zinc/01/95/62/358019562.db2.gz NOOGCBFSOWJYAV-YUMQZZPRSA-N 1 0 292.299 1.043 20 5 CDBDRO C[C@H](CO)[N@H+](CCn1ccc([N+](=O)[O-])n1)CC1CCC1 ZINC000361485393 358228581 /nfs/dbraw/zinc/22/85/81/358228581.db2.gz NHUHWMOYVLTDHP-LLVKDONJSA-N 1 0 282.344 1.274 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCOCCO)CCC2 ZINC000193275631 358280176 /nfs/dbraw/zinc/28/01/76/358280176.db2.gz PBUHGTBDSXOIEL-OAHLLOKOSA-N 1 0 294.351 1.961 20 5 CDBDRO C[N@H+](C[C@@H](O)COc1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000290833350 358662934 /nfs/dbraw/zinc/66/29/34/358662934.db2.gz UVPHGJLBPBRXLW-GFCCVEGCSA-N 1 0 284.287 1.568 20 5 CDBDRO O=C(CC[NH+]1CCC(O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000026227992 358753194 /nfs/dbraw/zinc/75/31/94/358753194.db2.gz PHLJKXNFRXDTFB-UHFFFAOYSA-N 1 0 293.323 1.380 20 5 CDBDRO C[C@H](NC(=O)C1([NH3+])CCC1)c1cccc([N+](=O)[O-])c1 ZINC000147806707 358754748 /nfs/dbraw/zinc/75/47/48/358754748.db2.gz IWVUGYMRENNILX-VIFPVBQESA-N 1 0 263.297 1.653 20 5 CDBDRO COC[C@@](C)(O)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449387082 358980269 /nfs/dbraw/zinc/98/02/69/358980269.db2.gz VUCUSMQXSLCMBA-WFASDCNBSA-N 1 0 296.367 1.903 20 5 CDBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000105821586 358988087 /nfs/dbraw/zinc/98/80/87/358988087.db2.gz CEAFPOMDMKRMQQ-QWHCGFSZSA-N 1 0 293.367 1.482 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCN2CCCC2)cc1 ZINC000054127026 359159406 /nfs/dbraw/zinc/15/94/06/359159406.db2.gz ZIVBDXGFEKSKGU-UHFFFAOYSA-N 1 0 263.341 1.823 20 5 CDBDRO CCOC(=O)CC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000338780058 359169549 /nfs/dbraw/zinc/16/95/49/359169549.db2.gz ABIDBHTWLAPUAQ-UHFFFAOYSA-N 1 0 296.323 1.859 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(CO)CC1 ZINC000051854172 359303941 /nfs/dbraw/zinc/30/39/41/359303941.db2.gz KXAAPLXBGHTWHT-UHFFFAOYSA-N 1 0 280.324 1.678 20 5 CDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[NH2+]C1 ZINC000050163114 359352556 /nfs/dbraw/zinc/35/25/56/359352556.db2.gz XQTWKCUMYNMGBI-NXEZZACHSA-N 1 0 295.314 1.852 20 5 CDBDRO C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000050163063 359352754 /nfs/dbraw/zinc/35/27/54/359352754.db2.gz IBWSBQFANWUBIQ-NXEZZACHSA-N 1 0 295.314 1.852 20 5 CDBDRO C[C@H]([NH2+]CC1OCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000296745445 359474511 /nfs/dbraw/zinc/47/45/11/359474511.db2.gz PCSHRHFJPJAGEK-VIFPVBQESA-N 1 0 252.270 1.618 20 5 CDBDRO COCCOC[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296827871 200008674 /nfs/dbraw/zinc/00/86/74/200008674.db2.gz WETKLSKBOPHAML-SMDDNHRTSA-N 1 0 298.339 1.269 20 5 CDBDRO CCC[NH2+][C@H](C)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000296906544 200031217 /nfs/dbraw/zinc/03/12/17/200031217.db2.gz RETUZAHDQNOQMR-SNVBAGLBSA-N 1 0 277.324 1.872 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000571937274 359681055 /nfs/dbraw/zinc/68/10/55/359681055.db2.gz QPMOIJUNJLCNIU-NEPJUHHUSA-N 1 0 279.340 1.785 20 5 CDBDRO CC[NH+](CC)C[C@@H]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000297302210 200140327 /nfs/dbraw/zinc/14/03/27/200140327.db2.gz YPEPGNRBTSZHRK-LBPRGKRZSA-N 1 0 293.371 1.861 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]([NH3+])C(C)C ZINC000297367381 200166015 /nfs/dbraw/zinc/16/60/15/200166015.db2.gz LFJYBXNARCJUMT-LBPRGKRZSA-N 1 0 281.312 1.203 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000562443347 359992397 /nfs/dbraw/zinc/99/23/97/359992397.db2.gz FXQZBJIIPSPRLD-ZDUSSCGKSA-N 1 0 293.367 2.000 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[NH+](C)C ZINC000176809390 189010143 /nfs/dbraw/zinc/01/01/43/189010143.db2.gz CPOLSBZKCYVJQI-UHFFFAOYSA-N 1 0 265.313 1.537 20 5 CDBDRO COc1ccc(OCC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000122540143 360308786 /nfs/dbraw/zinc/30/87/86/360308786.db2.gz XNQVXADTRXGKGB-JTQLQIEISA-N 1 0 266.297 1.982 20 5 CDBDRO C[C@]1(O)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000178020191 189086070 /nfs/dbraw/zinc/08/60/70/189086070.db2.gz XZOXXOWUVFQLQL-ZDUSSCGKSA-N 1 0 266.297 1.430 20 5 CDBDRO [NH3+][C@@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420110277 283567682 /nfs/dbraw/zinc/56/76/82/283567682.db2.gz FGLDJBPJWHNROW-SNVBAGLBSA-N 1 0 289.295 1.572 20 5 CDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]1 ZINC000178729686 189140945 /nfs/dbraw/zinc/14/09/45/189140945.db2.gz RCMXODBGSFQJGP-NSHDSACASA-N 1 0 292.339 1.265 20 5 CDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000248593965 283599485 /nfs/dbraw/zinc/59/94/85/283599485.db2.gz HUQWMFOGSSDTDD-WCFLWFBJSA-N 1 0 275.308 1.404 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000564728794 360968132 /nfs/dbraw/zinc/96/81/32/360968132.db2.gz FNZTYFXYIUTUNF-QWRGUYRKSA-N 1 0 294.355 1.639 20 5 CDBDRO CCc1nn(C)c(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000575155312 360971276 /nfs/dbraw/zinc/97/12/76/360971276.db2.gz ILSOLKSMEJJRCY-VHSXEESVSA-N 1 0 293.371 1.928 20 5 CDBDRO CN1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000572497413 360981636 /nfs/dbraw/zinc/98/16/36/360981636.db2.gz OHAKCKZJUBBUQI-STQMWFEESA-N 1 0 289.335 1.793 20 5 CDBDRO C[C@H]([NH2+]CC1OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000180244328 189246183 /nfs/dbraw/zinc/24/61/83/189246183.db2.gz KREWSYCWLYNFCM-VIFPVBQESA-N 1 0 252.270 1.618 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCS(=O)(=O)CC2)cc1 ZINC000036331959 361672524 /nfs/dbraw/zinc/67/25/24/361672524.db2.gz ASBGPOWQLROXSJ-UHFFFAOYSA-N 1 0 298.364 1.304 20 5 CDBDRO C[C@@H]1C[C@H](O)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000340914509 363946364 /nfs/dbraw/zinc/94/63/64/363946364.db2.gz RWSAKWUNSXXSCG-YPMHNXCESA-N 1 0 280.324 1.819 20 5 CDBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H](C)C1 ZINC000580463914 363918695 /nfs/dbraw/zinc/91/86/95/363918695.db2.gz CVKYPZAUEVCRSG-NXEZZACHSA-N 1 0 280.328 1.478 20 5 CDBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000581617447 364005565 /nfs/dbraw/zinc/00/55/65/364005565.db2.gz SFZVNRADUFVAAY-RKDXNWHRSA-N 1 0 295.343 1.181 20 5 CDBDRO O=c1c([N+](=O)[O-])cc(Cl)cn1CC1CC[NH2+]CC1 ZINC000581882123 364050318 /nfs/dbraw/zinc/05/03/18/364050318.db2.gz FPDGJJPMQOWCPG-UHFFFAOYSA-N 1 0 271.704 1.410 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]CCn2cccn2)cs1 ZINC000042539611 364595881 /nfs/dbraw/zinc/59/58/81/364595881.db2.gz RDMQBQNYPCCYNC-UHFFFAOYSA-N 1 0 252.299 1.643 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCCC23CCOCC3)n1 ZINC000367057365 364680026 /nfs/dbraw/zinc/68/00/26/364680026.db2.gz IWMAFNLQZXXWJU-GFCCVEGCSA-N 1 0 294.355 1.730 20 5 CDBDRO O=C(NC[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000133637004 364988811 /nfs/dbraw/zinc/98/88/11/364988811.db2.gz FSXHEGOMCNHUPD-QMMMGPOBSA-N 1 0 283.715 1.588 20 5 CDBDRO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000351813697 365002109 /nfs/dbraw/zinc/00/21/09/365002109.db2.gz HYOOUMFKVZYADL-MFKMUULPSA-N 1 0 266.297 1.286 20 5 CDBDRO CN1CCC[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1=O ZINC000344599320 365516685 /nfs/dbraw/zinc/51/66/85/365516685.db2.gz DSMNZNUNTGQCSR-IRBQFCFKSA-N 1 0 289.335 1.818 20 5 CDBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)C[C@H]1[NH+](C)C ZINC000271025696 366957925 /nfs/dbraw/zinc/95/79/25/366957925.db2.gz GLCXSXYBEHOPQO-NEPJUHHUSA-N 1 0 296.396 1.780 20 5 CDBDRO C[NH2+]CCCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000414661883 241309632 /nfs/dbraw/zinc/30/96/32/241309632.db2.gz QPBZGWHZBLNFLF-UHFFFAOYSA-N 1 0 266.301 1.634 20 5 CDBDRO CC(C)(C)[NH2+]CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000414761048 241372852 /nfs/dbraw/zinc/37/28/52/241372852.db2.gz ZWHKSLKYJZBDJB-UHFFFAOYSA-N 1 0 295.387 1.816 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271859591 367032198 /nfs/dbraw/zinc/03/21/98/367032198.db2.gz ZCDJLVADYKEPHL-ZJUUUORDSA-N 1 0 265.313 1.770 20 5 CDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000389689922 367491550 /nfs/dbraw/zinc/49/15/50/367491550.db2.gz JGNXFNNLEZJZTB-VIFPVBQESA-N 1 0 283.353 1.774 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280812356 367547035 /nfs/dbraw/zinc/54/70/35/367547035.db2.gz TZCXUQIIKLELTO-AWEZNQCLSA-N 1 0 293.323 1.301 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000089091477 368827025 /nfs/dbraw/zinc/82/70/25/368827025.db2.gz MXPHRZFCOCPTKC-RYUDHWBXSA-N 1 0 277.324 1.760 20 5 CDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH2+][C@H](C)C1 ZINC000420333143 244098432 /nfs/dbraw/zinc/09/84/32/244098432.db2.gz HLXZYBIDKQNMQJ-GHMZBOCLSA-N 1 0 292.339 1.216 20 5 CDBDRO CC[N@H+](C)CCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420591094 244268236 /nfs/dbraw/zinc/26/82/36/244268236.db2.gz XXFBNNCLMFYCFW-UHFFFAOYSA-N 1 0 266.301 1.057 20 5 CDBDRO C[C@@H](CNc1cccc(F)c1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000301224350 369439606 /nfs/dbraw/zinc/43/96/06/369439606.db2.gz FDTMOOARQZQZRG-NSHDSACASA-N 1 0 296.346 1.782 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+]1C ZINC000330892794 203361279 /nfs/dbraw/zinc/36/12/79/203361279.db2.gz DHIBQFVPSIJDHX-IUCAKERBSA-N 1 0 267.285 1.400 20 5 CDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](C)C[NH3+] ZINC000414876949 370965994 /nfs/dbraw/zinc/96/59/94/370965994.db2.gz MAJMTBIBEIWKEI-WDEREUQCSA-N 1 0 294.355 1.496 20 5 CDBDRO CCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000276282698 193269928 /nfs/dbraw/zinc/26/99/28/193269928.db2.gz VRQMQKTWBSODLJ-UHFFFAOYSA-N 1 0 269.301 1.602 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000037729872 370013443 /nfs/dbraw/zinc/01/34/43/370013443.db2.gz KRZOCTROZNCIGI-VIFPVBQESA-N 1 0 280.284 1.867 20 5 CDBDRO CC[C@H]([NH2+]CCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000037740587 370038313 /nfs/dbraw/zinc/03/83/13/370038313.db2.gz OQTHWWZUAQRKEB-LBPRGKRZSA-N 1 0 286.353 1.680 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000302004384 370312149 /nfs/dbraw/zinc/31/21/49/370312149.db2.gz RZJISQZCAKTWOM-SNVBAGLBSA-N 1 0 290.327 1.168 20 5 CDBDRO C[NH2+]C[C@H](C)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000414849333 370592409 /nfs/dbraw/zinc/59/24/09/370592409.db2.gz XZXWPCRLXKCCGE-JTQLQIEISA-N 1 0 251.330 1.848 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000226433203 370600544 /nfs/dbraw/zinc/60/05/44/370600544.db2.gz WLKIUMITURYIFU-COPLHBTASA-N 1 0 279.340 1.704 20 5 CDBDRO COC[C@]1(CNCc2csc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000414948312 371146854 /nfs/dbraw/zinc/14/68/54/371146854.db2.gz XBCRIMZVXQVUCJ-GFCCVEGCSA-N 1 0 285.369 1.515 20 5 CDBDRO CC(C)(C)C(C)(C)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000314949083 371205666 /nfs/dbraw/zinc/20/56/66/371205666.db2.gz QAIOLLPTSZBTMV-GFCCVEGCSA-N 1 0 298.387 1.814 20 5 CDBDRO [NH3+]CC1(CC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000422943559 245427291 /nfs/dbraw/zinc/42/72/91/245427291.db2.gz YERYLFRSSQVPAD-UHFFFAOYSA-N 1 0 292.339 1.252 20 5 CDBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000269635537 373246661 /nfs/dbraw/zinc/24/66/61/373246661.db2.gz HGUFBRHZDGWUIY-SMDDNHRTSA-N 1 0 280.324 1.597 20 5 CDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000347070863 373281455 /nfs/dbraw/zinc/28/14/55/373281455.db2.gz DRVSCJUUCWHIJC-SNVBAGLBSA-N 1 0 280.328 1.385 20 5 CDBDRO CC[N@@H+]1CCCC[C@H]1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000301282026 373479841 /nfs/dbraw/zinc/47/98/41/373479841.db2.gz MWTOHLZLLUVLOH-NSHDSACASA-N 1 0 281.360 1.923 20 5 CDBDRO Cc1cccc(C(=O)NC[C@@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000298355501 373511414 /nfs/dbraw/zinc/51/14/14/373511414.db2.gz NYXNUQBTLBBFPR-SNVBAGLBSA-N 1 0 265.313 1.583 20 5 CDBDRO C[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000298367498 373513537 /nfs/dbraw/zinc/51/35/37/373513537.db2.gz SZPXRWAEPSVVOM-LLVKDONJSA-N 1 0 294.355 1.463 20 5 CDBDRO CC[NH+]1CCN(CCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298447443 373604109 /nfs/dbraw/zinc/60/41/09/373604109.db2.gz FWWQIVTVHNNOCK-UHFFFAOYSA-N 1 0 278.356 1.644 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000423514097 245873304 /nfs/dbraw/zinc/87/33/04/245873304.db2.gz MAFMRVJEZYMYDR-UHFFFAOYSA-N 1 0 281.312 1.203 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423599223 245930042 /nfs/dbraw/zinc/93/00/42/245930042.db2.gz WZZZVUYTWXOQPL-DTWKUNHWSA-N 1 0 278.312 1.177 20 5 CDBDRO CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000266516112 373943609 /nfs/dbraw/zinc/94/36/09/373943609.db2.gz GOLAUXJGBSDDQR-LBPRGKRZSA-N 1 0 268.317 1.027 20 5 CDBDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000420945763 374306410 /nfs/dbraw/zinc/30/64/10/374306410.db2.gz SCEVYVBIPCOQBI-GHMZBOCLSA-N 1 0 280.324 1.751 20 5 CDBDRO Cc1c(CC(=O)NC[C@H]([NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000423477831 374382941 /nfs/dbraw/zinc/38/29/41/374382941.db2.gz MAYCFKOIQJCMQP-LBPRGKRZSA-N 1 0 277.324 1.299 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC(=O)N2)cc1[N+](=O)[O-] ZINC000079927346 374430760 /nfs/dbraw/zinc/43/07/60/374430760.db2.gz FIWKJVAFEXEIFY-PWSUYJOCSA-N 1 0 277.324 1.832 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](C)CC2)c1 ZINC000299192856 374490440 /nfs/dbraw/zinc/49/04/40/374490440.db2.gz YIDYKKITOSVBFJ-UHFFFAOYSA-N 1 0 293.323 1.381 20 5 CDBDRO C[S@](=O)CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000116918435 374492467 /nfs/dbraw/zinc/49/24/67/374492467.db2.gz IQTRUDMDCNIYAS-MRXNPFEDSA-N 1 0 262.356 1.515 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)CC[NH3+] ZINC000423997929 246280567 /nfs/dbraw/zinc/28/05/67/246280567.db2.gz ILLCCGJJBWUPLD-UHFFFAOYSA-N 1 0 267.285 1.024 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000429170930 374570670 /nfs/dbraw/zinc/57/06/70/374570670.db2.gz MDYWHDVKDDBJGV-JOYOIKCWSA-N 1 0 293.323 1.413 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000070578067 374666291 /nfs/dbraw/zinc/66/62/91/374666291.db2.gz IMFXKYKRIBMLLF-ZYHUDNBSSA-N 1 0 277.324 1.729 20 5 CDBDRO CCOc1cc(C[N@H+](CC)CCO)ccc1[N+](=O)[O-] ZINC000276969482 374762943 /nfs/dbraw/zinc/76/29/43/374762943.db2.gz WPTQRGHHWAXGQR-UHFFFAOYSA-N 1 0 268.313 1.808 20 5 CDBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H](O)CO)o2)c1 ZINC000276695380 374743078 /nfs/dbraw/zinc/74/30/78/374743078.db2.gz DIFGGJGYSWDSEH-GFCCVEGCSA-N 1 0 292.291 1.298 20 5 CDBDRO Cc1c(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000094339521 374831754 /nfs/dbraw/zinc/83/17/54/374831754.db2.gz YIWYFGVZMZVEFV-CABZTGNLSA-N 1 0 277.324 1.713 20 5 CDBDRO CCc1n[nH]c(C(=O)N2CCC[C@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC000277931776 374823472 /nfs/dbraw/zinc/82/34/72/374823472.db2.gz JMULNEKRWYDRGR-VIFPVBQESA-N 1 0 295.343 1.047 20 5 CDBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331332566 374931205 /nfs/dbraw/zinc/93/12/05/374931205.db2.gz SIFMWIWYBBVZLG-RYUDHWBXSA-N 1 0 282.344 1.417 20 5 CDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[N@H+](C)C1CC1 ZINC000331535027 374969669 /nfs/dbraw/zinc/96/96/69/374969669.db2.gz WTYYLIUVFHECHZ-SECBINFHSA-N 1 0 280.328 1.146 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[N@H+](C)C1CC1 ZINC000331535030 374970656 /nfs/dbraw/zinc/97/06/56/374970656.db2.gz WTYYLIUVFHECHZ-VIFPVBQESA-N 1 0 280.328 1.146 20 5 CDBDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000280104148 374982638 /nfs/dbraw/zinc/98/26/38/374982638.db2.gz AQIUEQVEYUXMKE-CYBMUJFWSA-N 1 0 297.742 1.946 20 5 CDBDRO C[N@H+](CCOCCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000282293692 375076973 /nfs/dbraw/zinc/07/69/73/375076973.db2.gz FTCJGSJXDLAHFT-UHFFFAOYSA-N 1 0 268.313 1.078 20 5 CDBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCF ZINC000282581609 375094963 /nfs/dbraw/zinc/09/49/63/375094963.db2.gz GCJNWDCYJCPBLK-VIFPVBQESA-N 1 0 269.276 1.159 20 5 CDBDRO CO[C@H](C)CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332725216 375047250 /nfs/dbraw/zinc/04/72/50/375047250.db2.gz TVUZSXKGDKNQIU-SECBINFHSA-N 1 0 251.286 1.383 20 5 CDBDRO C[NH+]1CCC(CCO)(NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000351504400 375302779 /nfs/dbraw/zinc/30/27/79/375302779.db2.gz WBLJYRCBBKVMEL-UHFFFAOYSA-N 1 0 293.367 1.531 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000162040267 375262123 /nfs/dbraw/zinc/26/21/23/375262123.db2.gz UMWKDXKIGGTHQK-WDEREUQCSA-N 1 0 293.323 1.360 20 5 CDBDRO COc1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000162362177 375335458 /nfs/dbraw/zinc/33/54/58/375335458.db2.gz VDYCPSRVGBSSCU-MNOVXSKESA-N 1 0 293.323 1.603 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000132597086 375535842 /nfs/dbraw/zinc/53/58/42/375535842.db2.gz QAXZHMJYTCCREK-QMMMGPOBSA-N 1 0 283.715 1.669 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000162737693 375502580 /nfs/dbraw/zinc/50/25/80/375502580.db2.gz FANVQKSICOJYMY-VXGBXAGGSA-N 1 0 292.339 1.573 20 5 CDBDRO Cc1cc(=O)n(CC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000057836370 375589347 /nfs/dbraw/zinc/58/93/47/375589347.db2.gz PWPHBJWMZZHUBF-UHFFFAOYSA-N 1 0 251.286 1.065 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H]3CCC[C@@H]32)n1 ZINC000426459513 247027363 /nfs/dbraw/zinc/02/73/63/247027363.db2.gz KXUIIPFCDLOKGM-QWRGUYRKSA-N 1 0 250.302 1.666 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000353403682 375606149 /nfs/dbraw/zinc/60/61/49/375606149.db2.gz SRNVBRMBPXNAEU-LLVKDONJSA-N 1 0 292.339 1.385 20 5 CDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)n1 ZINC000427378453 247134176 /nfs/dbraw/zinc/13/41/76/247134176.db2.gz CKBGWQCQEOEUEF-ZJUUUORDSA-N 1 0 295.343 1.024 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCCN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428041000 247234881 /nfs/dbraw/zinc/23/48/81/247234881.db2.gz YWUVKZQLHLUMKR-OLZOCXBDSA-N 1 0 291.351 1.657 20 5 CDBDRO CC[C@H](O)[C@@H]1CCCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000355346376 375792111 /nfs/dbraw/zinc/79/21/11/375792111.db2.gz UBQLFRFPYIGQOS-JQWIXIFHSA-N 1 0 282.344 1.454 20 5 CDBDRO CC(C)[NH+]1CCC(N(C)CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000358255301 375958043 /nfs/dbraw/zinc/95/80/43/375958043.db2.gz BYUAETLNBNXZEG-UHFFFAOYSA-N 1 0 295.387 1.596 20 5 CDBDRO Cc1nc(NCC(C)(C)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000296621129 376590741 /nfs/dbraw/zinc/59/07/41/376590741.db2.gz UVHWHXXAWOSSSX-UHFFFAOYSA-N 1 0 253.306 1.445 20 5 CDBDRO O=C(NC[C@@H]1CCCCC[NH2+]1)c1ccc([N+](=O)[O-])cn1 ZINC001580647159 1172497200 /nfs/dbraw/zinc/49/72/00/1172497200.db2.gz CZXPCZLSQWVWGI-JTQLQIEISA-N 1 0 278.312 1.252 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000189306755 377229378 /nfs/dbraw/zinc/22/93/78/377229378.db2.gz YOQBBTCIYZJXFH-GWCFXTLKSA-N 1 0 277.324 1.774 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000134194703 377207616 /nfs/dbraw/zinc/20/76/16/377207616.db2.gz LWQOHZNCWOVWHT-AEJSXWLSSA-N 1 0 265.313 1.755 20 5 CDBDRO O=C(C[C@H]1CC[NH2+]C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000190066477 377526284 /nfs/dbraw/zinc/52/62/84/377526284.db2.gz IKKZYOKPVUSZKM-SNVBAGLBSA-N 1 0 275.308 1.484 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574926504 378781848 /nfs/dbraw/zinc/78/18/48/378781848.db2.gz FHZKATHEMDWWCW-JOYOIKCWSA-N 1 0 277.324 1.696 20 5 CDBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444676442 250164261 /nfs/dbraw/zinc/16/42/61/250164261.db2.gz QFFIWTYTSBRBNX-GFCCVEGCSA-N 1 0 292.339 1.968 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000041031578 379292010 /nfs/dbraw/zinc/29/20/10/379292010.db2.gz QCCXDXOHMBBEPW-CHWSQXEVSA-N 1 0 277.324 1.903 20 5 CDBDRO CCc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000174021680 379361410 /nfs/dbraw/zinc/36/14/10/379361410.db2.gz MWFWGRGRMRDLQY-UHFFFAOYSA-N 1 0 291.351 1.981 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)Nc1ncc([N+](=O)[O-])c(C)n1 ZINC000450278983 251206478 /nfs/dbraw/zinc/20/64/78/251206478.db2.gz RYMVJCDXTFCUDJ-SECBINFHSA-N 1 0 267.333 1.835 20 5 CDBDRO Cc1c(NC(=O)/C=C\C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000491870314 253108839 /nfs/dbraw/zinc/10/88/39/253108839.db2.gz OLUGHRGOCRCUAO-YVMONPNESA-N 1 0 263.297 1.960 20 5 CDBDRO C[NH+](C)C/C=C\C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000491880152 253111249 /nfs/dbraw/zinc/11/12/49/253111249.db2.gz BXJJEVSDCQOQBY-DAXSKMNVSA-N 1 0 263.297 1.329 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261591494 285091880 /nfs/dbraw/zinc/09/18/80/285091880.db2.gz LYBJOIBEMFHWLG-WPRPVWTQSA-N 1 0 282.731 1.831 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493185599 253392283 /nfs/dbraw/zinc/39/22/83/253392283.db2.gz JDRKMWSXPOYPND-XTULLQBASA-N 1 0 281.287 1.553 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CCOC1)CCO2 ZINC000352679839 285142699 /nfs/dbraw/zinc/14/26/99/285142699.db2.gz RWOKZWPKPSDZTL-LLVKDONJSA-N 1 0 278.308 1.826 20 5 CDBDRO Cc1cc(N[C@@H](CO)C[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000289174323 197253697 /nfs/dbraw/zinc/25/36/97/197253697.db2.gz RGVLDPOFPDAUMB-GFCCVEGCSA-N 1 0 294.355 1.557 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000127544107 390663275 /nfs/dbraw/zinc/66/32/75/390663275.db2.gz IRDSXLFDCZNSHW-KTRBRXNASA-N 1 0 275.308 1.558 20 5 CDBDRO C[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@@H+](C2CC2)C1 ZINC000451080769 390595812 /nfs/dbraw/zinc/59/58/12/390595812.db2.gz CFCJXZGGKCRPJO-NSHDSACASA-N 1 0 293.371 1.244 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2(CO)CC2)cc1 ZINC000395926822 390665863 /nfs/dbraw/zinc/66/58/63/390665863.db2.gz HMKOIGODWADOSF-UHFFFAOYSA-N 1 0 250.298 1.847 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000237527176 390847369 /nfs/dbraw/zinc/84/73/69/390847369.db2.gz UVZIZPGIEUIFPN-SNVBAGLBSA-N 1 0 265.313 1.238 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000515463303 390947681 /nfs/dbraw/zinc/94/76/81/390947681.db2.gz ZJDPUOSDXPOJLT-UHFFFAOYSA-N 1 0 294.355 1.538 20 5 CDBDRO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](C[NH3+])C1 ZINC000235658430 390905845 /nfs/dbraw/zinc/90/58/45/390905845.db2.gz SOSQDORLZQMOPB-DTWKUNHWSA-N 1 0 266.301 1.122 20 5 CDBDRO CC(=O)c1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000287525863 390914078 /nfs/dbraw/zinc/91/40/78/390914078.db2.gz AYQYZMALFFKRFJ-TXEJJXNPSA-N 1 0 289.335 1.795 20 5 CDBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000159404821 391046502 /nfs/dbraw/zinc/04/65/02/391046502.db2.gz XAIUYSPUMBHSSP-GWCFXTLKSA-N 1 0 250.298 1.798 20 5 CDBDRO Cc1cc(N2CC[NH+](C3CCC3)CC2)ncc1[N+](=O)[O-] ZINC000408276866 391054499 /nfs/dbraw/zinc/05/44/99/391054499.db2.gz LKWCDIRYQMOCHP-UHFFFAOYSA-N 1 0 276.340 1.973 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cnnn1C ZINC000342290122 533384826 /nfs/dbraw/zinc/38/48/26/533384826.db2.gz VGSTZRJDMIKMMN-WDZFZDKYSA-N 1 0 287.323 1.916 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000517544286 391161853 /nfs/dbraw/zinc/16/18/53/391161853.db2.gz CEJSLPAEBZLAQN-SNVBAGLBSA-N 1 0 280.328 1.100 20 5 CDBDRO COc1ccc(CNC(=O)C2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000294667566 533578000 /nfs/dbraw/zinc/57/80/00/533578000.db2.gz ADODGVOZWUEZAQ-UHFFFAOYSA-N 1 0 279.296 1.101 20 5 CDBDRO [NH3+]CC[C@H](NCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000415053683 391253347 /nfs/dbraw/zinc/25/33/47/391253347.db2.gz KJHAYKQAPUGTAF-JTQLQIEISA-N 1 0 277.246 1.964 20 5 CDBDRO [NH3+]CCCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415628038 391469527 /nfs/dbraw/zinc/46/95/27/391469527.db2.gz DHHHLZFZQGISMK-UHFFFAOYSA-N 1 0 256.237 1.204 20 5 CDBDRO [NH3+]CC1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000415630834 391469583 /nfs/dbraw/zinc/46/95/83/391469583.db2.gz LMFNKKHBJPUVJH-UHFFFAOYSA-N 1 0 296.302 1.937 20 5 CDBDRO C[C@H]1C[NH2+]CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415628102 391469680 /nfs/dbraw/zinc/46/96/80/391469680.db2.gz DMEFVEVPWZYCJV-QMMMGPOBSA-N 1 0 282.275 1.560 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415637223 391470139 /nfs/dbraw/zinc/47/01/39/391470139.db2.gz ZVTOEXZTVUYSSU-QPUJVOFHSA-N 1 0 296.302 1.853 20 5 CDBDRO COC[C@@](C)([NH3+])CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000440590099 391416818 /nfs/dbraw/zinc/41/68/18/391416818.db2.gz SEFQIOPXQHSIMB-NSHDSACASA-N 1 0 275.255 1.649 20 5 CDBDRO CCCc1n[nH]c(C(=O)NC[C@@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC000236884649 391550060 /nfs/dbraw/zinc/55/00/60/391550060.db2.gz YTYWDFLKJVGAAL-VIFPVBQESA-N 1 0 295.343 1.142 20 5 CDBDRO Cc1cnc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000292763860 391636122 /nfs/dbraw/zinc/63/61/22/391636122.db2.gz KMYPVIKTEKOBOG-PHIMTYICSA-N 1 0 264.329 1.827 20 5 CDBDRO CO[C@]1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCOC1 ZINC000449246466 391648664 /nfs/dbraw/zinc/64/86/64/391648664.db2.gz DJHYTYZLJCYHMQ-WFASDCNBSA-N 1 0 294.351 1.921 20 5 CDBDRO CCNC(=O)[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449247641 391662098 /nfs/dbraw/zinc/66/20/98/391662098.db2.gz GAKAUWDGACWMDP-GHMZBOCLSA-N 1 0 279.340 1.640 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000192598385 391711559 /nfs/dbraw/zinc/71/15/59/391711559.db2.gz GJEHNYRUMNTCJJ-LBPRGKRZSA-N 1 0 295.387 1.898 20 5 CDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH3+] ZINC000237059152 131001375 /nfs/dbraw/zinc/00/13/75/131001375.db2.gz HXJINLIXXQRCFB-UHFFFAOYSA-N 1 0 280.328 1.130 20 5 CDBDRO C[C@@](C[NH3+])(NC(=O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000237626536 131048708 /nfs/dbraw/zinc/04/87/08/131048708.db2.gz ZRYOWBBEGSHGFL-AWEZNQCLSA-N 1 0 293.323 1.217 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000261765213 131167816 /nfs/dbraw/zinc/16/78/16/131167816.db2.gz VKICUHFLRVFLHB-CHWSQXEVSA-N 1 0 289.335 1.585 20 5 CDBDRO O=C(CC[C@@H]1CC[NH2+]C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000261912810 131177241 /nfs/dbraw/zinc/17/72/41/131177241.db2.gz WRUHZRNJMHHKFM-LLVKDONJSA-N 1 0 289.335 1.874 20 5 CDBDRO C[C@](C[NH3+])(NC(=O)c1cc([N+](=O)[O-])ccc1N)C1CC1 ZINC000262259241 131205887 /nfs/dbraw/zinc/20/58/87/131205887.db2.gz UEHMWMCQOPXQFJ-CYBMUJFWSA-N 1 0 278.312 1.034 20 5 CDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000262573966 131235264 /nfs/dbraw/zinc/23/52/64/131235264.db2.gz IMDYHZZXPOEQNS-VIFPVBQESA-N 1 0 297.742 1.978 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000549183215 392542340 /nfs/dbraw/zinc/54/23/40/392542340.db2.gz CSHNFYIZEMIYSW-VIFPVBQESA-N 1 0 293.327 1.065 20 5 CDBDRO COc1cc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000153661893 392742051 /nfs/dbraw/zinc/74/20/51/392742051.db2.gz HFQZCJZRONLTEY-AOOOYVTPSA-N 1 0 293.323 1.426 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417843938 392874155 /nfs/dbraw/zinc/87/41/55/392874155.db2.gz HDJMQLNAAFMFDC-ZYHUDNBSSA-N 1 0 292.339 1.625 20 5 CDBDRO C[C@H](NC[C@H](O)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000268855259 132077719 /nfs/dbraw/zinc/07/77/19/132077719.db2.gz QQSRSXDFBNYJBT-WFASDCNBSA-N 1 0 293.367 1.702 20 5 CDBDRO CC[NH2+]CCN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423251738 392961106 /nfs/dbraw/zinc/96/11/06/392961106.db2.gz WOUKPOKDMAJGQT-LLVKDONJSA-N 1 0 294.355 1.511 20 5 CDBDRO CC[NH2+][C@H](C)CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423389663 392961843 /nfs/dbraw/zinc/96/18/43/392961843.db2.gz VKQMCUSCLMANOD-UPJWGTAASA-N 1 0 295.387 1.863 20 5 CDBDRO CCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000527059150 392974209 /nfs/dbraw/zinc/97/42/09/392974209.db2.gz MEIOJTBGYNXWPD-UHFFFAOYSA-N 1 0 282.344 1.347 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000449591406 393135701 /nfs/dbraw/zinc/13/57/01/393135701.db2.gz QGCBBBKSHCHGHH-NXEZZACHSA-N 1 0 281.312 1.216 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000449586390 393135781 /nfs/dbraw/zinc/13/57/81/393135781.db2.gz GBPMOIOZBNCAKA-IUCAKERBSA-N 1 0 283.353 1.539 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000449642739 393137296 /nfs/dbraw/zinc/13/72/96/393137296.db2.gz XUDICOPVBKZXTR-CHWSQXEVSA-N 1 0 291.351 1.771 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000449639025 393137750 /nfs/dbraw/zinc/13/77/50/393137750.db2.gz NNCIOAVRLUPNGM-VHSXEESVSA-N 1 0 295.314 1.981 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000449710624 393139042 /nfs/dbraw/zinc/13/90/42/393139042.db2.gz BGJCDGOXMLYQGZ-QWRGUYRKSA-N 1 0 293.323 1.217 20 5 CDBDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000278648790 393143572 /nfs/dbraw/zinc/14/35/72/393143572.db2.gz MGNFWRGLEGWFIR-XARUKTKKSA-N 1 0 292.335 1.738 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000131974923 393210224 /nfs/dbraw/zinc/21/02/24/393210224.db2.gz BTHXYEOMFFYDET-BYAJROORSA-N 1 0 289.335 1.804 20 5 CDBDRO CCc1nn(C)c(N2CC[C@H](C)[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000229099274 140200551 /nfs/dbraw/zinc/20/05/51/140200551.db2.gz KXNIAQGGQPDYEH-UWVGGRQHSA-N 1 0 281.360 1.312 20 5 CDBDRO CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000231467357 140216402 /nfs/dbraw/zinc/21/64/02/140216402.db2.gz WCNSUVJXDVCKBU-CYBMUJFWSA-N 1 0 291.351 1.738 20 5 CDBDRO Cc1c(CNC(=O)C[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000231856082 140219572 /nfs/dbraw/zinc/21/95/72/140219572.db2.gz AAJZBQMMZGOQRA-QMMMGPOBSA-N 1 0 251.286 1.257 20 5 CDBDRO O=[N+]([O-])c1cc(CN2CC[C@]3(CC[NH2+]C3)C2)cs1 ZINC000261561863 140348669 /nfs/dbraw/zinc/34/86/69/140348669.db2.gz GCDRHCLLBHXLCH-LBPRGKRZSA-N 1 0 267.354 1.842 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000261697554 140376611 /nfs/dbraw/zinc/37/66/11/140376611.db2.gz CMDMVMMGUMMSHT-VHSXEESVSA-N 1 0 265.313 1.818 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000261705819 140377898 /nfs/dbraw/zinc/37/78/98/140377898.db2.gz IXNYUOBEVYLKHB-GXSJLCMTSA-N 1 0 281.360 1.683 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)C[C@H]12 ZINC000261726099 140381565 /nfs/dbraw/zinc/38/15/65/140381565.db2.gz KUICMVHKYWBXMW-LJWDBELGSA-N 1 0 279.315 1.903 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000261874019 140402872 /nfs/dbraw/zinc/40/28/72/140402872.db2.gz SSFLGDMDSPSIFR-QWRGUYRKSA-N 1 0 293.323 1.169 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063201146 296516911 /nfs/dbraw/zinc/51/69/11/296516911.db2.gz YRHRAMHGRJYSMZ-LBPRGKRZSA-N 1 0 276.340 1.958 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[NH2+]C[C@H]1C ZINC000086470151 146930840 /nfs/dbraw/zinc/93/08/40/146930840.db2.gz PMFMDZMVZBOMAV-WDEREUQCSA-N 1 0 279.340 1.786 20 5 CDBDRO CCOc1ccc([C@@H](C)NCC[NH2+]C)cc1[N+](=O)[O-] ZINC000423226066 397602944 /nfs/dbraw/zinc/60/29/44/397602944.db2.gz PHWVCJZHLIMNBW-SNVBAGLBSA-N 1 0 267.329 1.864 20 5 CDBDRO [NH3+]C[C@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000135222825 397910142 /nfs/dbraw/zinc/91/01/42/397910142.db2.gz BPYHNLCHQUTKRL-MRVPVSSYSA-N 1 0 267.260 1.155 20 5 CDBDRO CC(C)[C@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000092395256 147011902 /nfs/dbraw/zinc/01/19/02/147011902.db2.gz MFFGWBGISHPVOD-ZDUSSCGKSA-N 1 0 252.314 1.744 20 5 CDBDRO C[C@@H](O)C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000176226263 148029190 /nfs/dbraw/zinc/02/91/90/148029190.db2.gz JCXZQEJCFIGJOP-GFCCVEGCSA-N 1 0 296.371 1.807 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c(F)c1 ZINC000313583801 149244289 /nfs/dbraw/zinc/24/42/89/149244289.db2.gz YCSKJDJJTWLGJF-MRCXROJRSA-N 1 0 280.299 1.937 20 5 CDBDRO COc1c(C(=O)N[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000346166568 153079886 /nfs/dbraw/zinc/07/98/86/153079886.db2.gz RTMDVKOIBNGAKS-SECBINFHSA-N 1 0 281.312 1.283 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)CC[NH2+]C ZINC000346694940 153278021 /nfs/dbraw/zinc/27/80/21/153278021.db2.gz XLKGGQKXPNLYJI-UHFFFAOYSA-N 1 0 267.329 1.645 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000347151266 153430232 /nfs/dbraw/zinc/43/02/32/153430232.db2.gz ZTWMHINYJBLCNS-TXNVCOODSA-N 1 0 261.325 1.902 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000348923504 154007745 /nfs/dbraw/zinc/00/77/45/154007745.db2.gz WVZMVTSJQAJULU-LBPRGKRZSA-N 1 0 294.355 1.719 20 5 CDBDRO CC[N@H+](C[C@@H](C)O)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000352185974 155006183 /nfs/dbraw/zinc/00/61/83/155006183.db2.gz HVRHDIIYMUVTLG-MNOVXSKESA-N 1 0 295.339 1.625 20 5 CDBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000352203366 155020032 /nfs/dbraw/zinc/02/00/32/155020032.db2.gz REYIKICUORPUAA-NSHDSACASA-N 1 0 268.313 1.676 20 5 CDBDRO COCCCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373272168 160188052 /nfs/dbraw/zinc/18/80/52/160188052.db2.gz FZNOKRJWVIMURX-UHFFFAOYSA-N 1 0 282.344 1.855 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000020514868 171231955 /nfs/dbraw/zinc/23/19/55/171231955.db2.gz JFTLKPHNWDWXNN-UHFFFAOYSA-N 1 0 278.312 1.764 20 5 CDBDRO C[N@H+](CCCCO)CCc1ccccc1[N+](=O)[O-] ZINC000285195798 196218419 /nfs/dbraw/zinc/21/84/19/196218419.db2.gz CQTHNAUYKJWAGU-UHFFFAOYSA-N 1 0 252.314 1.842 20 5 CDBDRO CC(C)[C@@H](CO)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285759461 196389325 /nfs/dbraw/zinc/38/93/25/196389325.db2.gz VZOQSBPSJUEVNS-GFCCVEGCSA-N 1 0 274.267 1.980 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000038083128 174092601 /nfs/dbraw/zinc/09/26/01/174092601.db2.gz CADCGNUADFRKET-MNOVXSKESA-N 1 0 298.364 1.680 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000038083177 174092958 /nfs/dbraw/zinc/09/29/58/174092958.db2.gz NHQAPFZJELNTTG-MNOVXSKESA-N 1 0 298.364 1.680 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000040593639 174347614 /nfs/dbraw/zinc/34/76/14/174347614.db2.gz VWYBTFROUFSXDX-JTQLQIEISA-N 1 0 295.314 1.806 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1csc([N+](=O)[O-])c1 ZINC000044501400 175185801 /nfs/dbraw/zinc/18/58/01/175185801.db2.gz DCCULBAZWAPMCY-QMMMGPOBSA-N 1 0 269.326 1.386 20 5 CDBDRO O=C(NCC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000044503805 175186587 /nfs/dbraw/zinc/18/65/87/175186587.db2.gz IBYGLVVYHBJCQW-UHFFFAOYSA-N 1 0 263.297 1.324 20 5 CDBDRO Cc1ccc(C(=O)N2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000044513052 175188620 /nfs/dbraw/zinc/18/86/20/175188620.db2.gz TZLCLAWFEMZQEF-UHFFFAOYSA-N 1 0 277.324 1.714 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NCC1CC[NH+](C)CC1 ZINC000044526239 175191333 /nfs/dbraw/zinc/19/13/33/175191333.db2.gz BIXZMPAKLKBCLV-UHFFFAOYSA-N 1 0 253.306 1.082 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000071143112 176040537 /nfs/dbraw/zinc/04/05/37/176040537.db2.gz DGMIOCPVXPSYCE-JTQLQIEISA-N 1 0 263.297 1.276 20 5 CDBDRO CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000071310139 176117313 /nfs/dbraw/zinc/11/73/13/176117313.db2.gz SQIJZTFYAPNNCS-VIFPVBQESA-N 1 0 283.715 1.682 20 5 CDBDRO CCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000071312455 176119361 /nfs/dbraw/zinc/11/93/61/176119361.db2.gz BXRWEACNQZFFCB-SNVBAGLBSA-N 1 0 281.287 1.558 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000071396955 176150248 /nfs/dbraw/zinc/15/02/48/176150248.db2.gz PDLDMCAIAZSXQQ-JTQLQIEISA-N 1 0 263.297 1.385 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000163649008 287565462 /nfs/dbraw/zinc/56/54/62/287565462.db2.gz UAHAHVGDUAZUKH-NXEZZACHSA-N 1 0 295.314 1.791 20 5 CDBDRO C[C@@H](C(=O)N1CC([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000518881281 265193141 /nfs/dbraw/zinc/19/31/41/265193141.db2.gz UPXSAVWVOMFWBB-SNVBAGLBSA-N 1 0 277.324 1.471 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]([NH3+])C1CCC1 ZINC000399033001 270367150 /nfs/dbraw/zinc/36/71/50/270367150.db2.gz MNUYBXITLXDSFN-ZDUSSCGKSA-N 1 0 277.324 1.681 20 5 CDBDRO C[C@@H]1C[C@H]1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000453576403 270393529 /nfs/dbraw/zinc/39/35/29/270393529.db2.gz MRFOTQKOOPWNLQ-NEPJUHHUSA-N 1 0 276.340 1.768 20 5 CDBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC([NH+](C)C)C1 ZINC000361075551 273496954 /nfs/dbraw/zinc/49/69/54/273496954.db2.gz ZUYXKZDTTIBFCM-UHFFFAOYSA-N 1 0 263.297 1.548 20 5 CDBDRO COC[C@@](C)([NH3+])CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000265078020 274046828 /nfs/dbraw/zinc/04/68/28/274046828.db2.gz ZFRPNNJMHOUQCY-NSHDSACASA-N 1 0 284.272 1.279 20 5 CDBDRO C[C@@H](NCC1([NH3+])CCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000342123535 274246048 /nfs/dbraw/zinc/24/60/48/274246048.db2.gz CJUGTGWSTUTLDE-SNVBAGLBSA-N 1 0 292.339 1.393 20 5 CDBDRO Cc1nc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000261610027 274842056 /nfs/dbraw/zinc/84/20/56/274842056.db2.gz SDXOHHSNFLPIFH-GHMZBOCLSA-N 1 0 262.313 1.344 20 5 CDBDRO CC(C)c1n[nH]c(C(=O)NC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000457214749 275722377 /nfs/dbraw/zinc/72/23/77/275722377.db2.gz XSRGFAXFDXKOOG-UHFFFAOYSA-N 1 0 297.359 1.511 20 5 CDBDRO CC1(C)C[C@@H]([NH2+][C@@H]2COC[C@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000296107787 275862011 /nfs/dbraw/zinc/86/20/11/275862011.db2.gz ZHAUVEIHTPXIFC-MGPQQGTHSA-N 1 0 292.335 1.667 20 5 CDBDRO CCCc1n[nH]c(C(=O)NCC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000444269834 276294328 /nfs/dbraw/zinc/29/43/28/276294328.db2.gz OSHQLWGGJZFVLD-SECBINFHSA-N 1 0 295.343 1.142 20 5 CDBDRO CCOCC[C@@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000277480405 276327611 /nfs/dbraw/zinc/32/76/11/276327611.db2.gz KRCCUJLSSWTBCJ-CYBMUJFWSA-N 1 0 282.340 1.814 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000295226562 276578535 /nfs/dbraw/zinc/57/85/35/276578535.db2.gz NHKXKURPSKTKDK-VIFPVBQESA-N 1 0 283.353 1.540 20 5 CDBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(N)c3F)[C@@H]2C1 ZINC000286576126 277178363 /nfs/dbraw/zinc/17/83/63/277178363.db2.gz RZNYANPUSVHZQW-JOYOIKCWSA-N 1 0 294.330 1.847 20 5 CDBDRO C[NH2+]CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000237095251 277272469 /nfs/dbraw/zinc/27/24/69/277272469.db2.gz YTSCOPCKAPYAQE-UHFFFAOYSA-N 1 0 291.229 1.563 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415629045 277277320 /nfs/dbraw/zinc/27/73/20/277277320.db2.gz HLWDNTRWNLTURG-NSHDSACASA-N 1 0 296.302 1.950 20 5 CDBDRO COc1cc(C[NH2+][C@@H](C)C[C@H](C)O)c([N+](=O)[O-])cc1OC ZINC000361029118 277818354 /nfs/dbraw/zinc/81/83/54/277818354.db2.gz HLVLYGDRNFZMDB-UWVGGRQHSA-N 1 0 298.339 1.861 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CC[NH2+][C@@H](C)C2)c1 ZINC000122875853 277938005 /nfs/dbraw/zinc/93/80/05/277938005.db2.gz PSFZYXNISMTLLB-VIFPVBQESA-N 1 0 251.286 1.402 20 5 CDBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000419373643 278079913 /nfs/dbraw/zinc/07/99/13/278079913.db2.gz OOBLXJJNJIYRLX-KXUCPTDWSA-N 1 0 252.318 1.805 20 5 CDBDRO CS[C@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@H]1[NH+](C)C ZINC000337027101 278168480 /nfs/dbraw/zinc/16/84/80/278168480.db2.gz WCZLUDDZXYWQEF-SFYZADRCSA-N 1 0 288.398 1.533 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000089091410 278745910 /nfs/dbraw/zinc/74/59/10/278745910.db2.gz LGYWRXDGXSMOCM-GWCFXTLKSA-N 1 0 277.324 1.760 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000125004583 278837560 /nfs/dbraw/zinc/83/75/60/278837560.db2.gz WUVBVQDVBPOHLN-MRVPVSSYSA-N 1 0 283.715 1.682 20 5 CDBDRO C[NH+](C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000047921477 279155355 /nfs/dbraw/zinc/15/53/55/279155355.db2.gz QYNVERYKDFBRLE-CYBMUJFWSA-N 1 0 277.324 1.665 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000053202356 279183337 /nfs/dbraw/zinc/18/33/37/279183337.db2.gz VFTGXBZEZCBRBH-GWJCSSMESA-N 1 0 289.335 1.818 20 5 CDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000370173106 280186790 /nfs/dbraw/zinc/18/67/90/280186790.db2.gz MNIAZJGHBJGMPP-BXKDBHETSA-N 1 0 293.298 1.558 20 5 CDBDRO C[C@@H]1OCC[C@]1(O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000278648779 280563112 /nfs/dbraw/zinc/56/31/12/280563112.db2.gz MGNFWRGLEGWFIR-GLIVKDKESA-N 1 0 292.335 1.738 20 5 CDBDRO CC(C)(C)CCCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515165796 280880310 /nfs/dbraw/zinc/88/03/10/280880310.db2.gz HWEFSSNLFPUQFN-ZDUSSCGKSA-N 1 0 298.387 1.958 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000261887153 288319503 /nfs/dbraw/zinc/31/95/03/288319503.db2.gz SDNQCRJLCVVJKS-SECBINFHSA-N 1 0 253.277 1.528 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc3[nH]cnc3c2)c1 ZINC000532866774 282055829 /nfs/dbraw/zinc/05/58/29/282055829.db2.gz XACSEBIJDZAUPF-UHFFFAOYSA-N 1 0 286.295 1.457 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000178628320 289768818 /nfs/dbraw/zinc/76/88/18/289768818.db2.gz ISLARXSAJPDQMJ-JTQLQIEISA-N 1 0 280.328 1.250 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000555880157 290243592 /nfs/dbraw/zinc/24/35/92/290243592.db2.gz JZYKQXJLQQDTRD-BPNCWPANSA-N 1 0 279.340 1.263 20 5 CDBDRO C[NH2+]CCS[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000563081519 293266311 /nfs/dbraw/zinc/26/63/11/293266311.db2.gz ZHIXIPVCUZAHTN-GFCCVEGCSA-N 1 0 295.364 1.653 20 5 CDBDRO CCN(C)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000564705580 293396808 /nfs/dbraw/zinc/39/68/08/293396808.db2.gz KDRZYHASVGQFFK-CHWSQXEVSA-N 1 0 295.387 1.816 20 5 CDBDRO CN(C)C(=O)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565216521 293564781 /nfs/dbraw/zinc/56/47/81/293564781.db2.gz KDVXMLYOQPBDII-GFCCVEGCSA-N 1 0 277.324 1.650 20 5 CDBDRO COc1ccc(CC(=O)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000567670079 293834595 /nfs/dbraw/zinc/83/45/95/293834595.db2.gz BKXFZBOXFXZGHS-LLVKDONJSA-N 1 0 293.323 1.014 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@]3(C2)CCC[NH2+]C3)c(F)c1 ZINC000573549460 294838324 /nfs/dbraw/zinc/83/83/24/294838324.db2.gz JJTHBKWVPYUFRM-CYBMUJFWSA-N 1 0 280.303 1.709 20 5 CDBDRO C[N@@H+]1CC[C@H](c2nc(Cc3ccccc3[N+](=O)[O-])no2)C1 ZINC000349895321 316140533 /nfs/dbraw/zinc/14/05/33/316140533.db2.gz XJYATKOIRQEXBX-NSHDSACASA-N 1 0 288.307 1.988 20 5 CDBDRO COc1cccc(C(=O)N[C@H](C)CCC[NH3+])c1[N+](=O)[O-] ZINC000566213881 316516855 /nfs/dbraw/zinc/51/68/55/316516855.db2.gz AASOFBFCSMXDEV-SECBINFHSA-N 1 0 281.312 1.461 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183632998 323344159 /nfs/dbraw/zinc/34/41/59/323344159.db2.gz KEGFJFMHSWGDNQ-JTQLQIEISA-N 1 0 293.327 1.453 20 5 CDBDRO [NH3+]CC[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)F ZINC000383337482 323664422 /nfs/dbraw/zinc/66/44/22/323664422.db2.gz WXCMQZOQWTYZEM-VIFPVBQESA-N 1 0 288.254 1.699 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C1(C[NH3+])CCC1 ZINC000385513760 323708458 /nfs/dbraw/zinc/70/84/58/323708458.db2.gz RWRAMMZPPCWEET-UHFFFAOYSA-N 1 0 277.324 1.857 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000389835895 323811892 /nfs/dbraw/zinc/81/18/92/323811892.db2.gz KKELBAOSFSRWDP-QDDUCLRZSA-N 1 0 289.335 1.722 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000579122275 324112749 /nfs/dbraw/zinc/11/27/49/324112749.db2.gz XZQRQNLYDSFXQP-NXEZZACHSA-N 1 0 293.323 1.461 20 5 CDBDRO O=C(NCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000579731649 324270836 /nfs/dbraw/zinc/27/08/36/324270836.db2.gz NSLGNZPTDOIWLY-ZDUSSCGKSA-N 1 0 289.335 1.698 20 5 CDBDRO COc1ccc(NC(=O)N(C)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000580169758 324386379 /nfs/dbraw/zinc/38/63/79/324386379.db2.gz CCQYGFJEDIRUJF-JTQLQIEISA-N 1 0 294.311 1.429 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000580631807 324516127 /nfs/dbraw/zinc/51/61/27/324516127.db2.gz MAXXSVXECGFMBW-PWSUYJOCSA-N 1 0 292.339 1.535 20 5 CDBDRO CNc1ccc(C(=O)N2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000582545050 324996470 /nfs/dbraw/zinc/99/64/70/324996470.db2.gz KGOWCJBJHRAIDW-SNVBAGLBSA-N 1 0 278.312 1.200 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000582906188 325067334 /nfs/dbraw/zinc/06/73/34/325067334.db2.gz LAQGPWFTPQAPET-WDEREUQCSA-N 1 0 292.339 1.385 20 5 CDBDRO O=C(N1CCc2ccc([N+](=O)[O-])cc21)[C@]12C[C@H]1CC[NH2+]2 ZINC000583494285 325186113 /nfs/dbraw/zinc/18/61/13/325186113.db2.gz JXNXHIDVIRNANX-YGRLFVJLSA-N 1 0 273.292 1.236 20 5 CDBDRO C[C@H]1CC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)C1 ZINC000220508011 329515584 /nfs/dbraw/zinc/51/55/84/329515584.db2.gz QBOXLTNBAJYVPT-JTNHKYCSSA-N 1 0 296.371 1.567 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000237199580 522027938 /nfs/dbraw/zinc/02/79/38/522027938.db2.gz KDMVCTQAHYAVRC-SNVBAGLBSA-N 1 0 265.313 1.109 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000068338410 522053463 /nfs/dbraw/zinc/05/34/63/522053463.db2.gz WDEXWQFXPKMWKF-GFCCVEGCSA-N 1 0 293.367 1.984 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000156744831 522087471 /nfs/dbraw/zinc/08/74/71/522087471.db2.gz DMRZNZMKKGXOJF-LLVKDONJSA-N 1 0 293.323 1.427 20 5 CDBDRO COc1cc(N[C@H]2CC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000227860003 522765874 /nfs/dbraw/zinc/76/58/74/522765874.db2.gz ATRRRGIBSRVARI-ZETCQYMHSA-N 1 0 255.249 1.516 20 5 CDBDRO COCCC[N@H+](C)CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000074766436 523229335 /nfs/dbraw/zinc/22/93/35/523229335.db2.gz ARTDTLWLGHFMDG-UHFFFAOYSA-N 1 0 282.344 1.678 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000063193382 524855837 /nfs/dbraw/zinc/85/58/37/524855837.db2.gz JKHTZRVZCKMOGF-DTWKUNHWSA-N 1 0 283.353 1.998 20 5 CDBDRO C[C@H]([NH2+]CC(=O)NC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000035140840 525304330 /nfs/dbraw/zinc/30/43/30/525304330.db2.gz IDTFEPQDXYWGRO-VIFPVBQESA-N 1 0 263.297 1.524 20 5 CDBDRO C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(=O)NCCF ZINC000337266546 525393136 /nfs/dbraw/zinc/39/31/36/525393136.db2.gz VPBKSQLRYDVROW-VLWUPBBWSA-N 1 0 295.314 1.672 20 5 CDBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000183693513 525413857 /nfs/dbraw/zinc/41/38/57/525413857.db2.gz ANIUWMHIOIQIBV-ZWNOBZJWSA-N 1 0 293.323 1.690 20 5 CDBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420252970 534879790 /nfs/dbraw/zinc/87/97/90/534879790.db2.gz CPYDLNDDAOYFNC-NWDGAFQWSA-N 1 0 289.335 1.843 20 5 CDBDRO C[C@@H](O)[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000183212872 525860996 /nfs/dbraw/zinc/86/09/96/525860996.db2.gz SXGURKCDJVPVLM-NEPJUHHUSA-N 1 0 280.324 1.676 20 5 CDBDRO Cc1ccc(C(=O)N(C)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000058233604 526066799 /nfs/dbraw/zinc/06/67/99/526066799.db2.gz IWCMRTMXWDUHMU-NSHDSACASA-N 1 0 263.297 1.337 20 5 CDBDRO Cc1cnc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)s1 ZINC000184986121 526124564 /nfs/dbraw/zinc/12/45/64/526124564.db2.gz VXGYKOPKIRMHJE-SECBINFHSA-N 1 0 281.341 1.907 20 5 CDBDRO Cn1c(C(=O)N2CCC[C@H](CC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000070170158 527042203 /nfs/dbraw/zinc/04/22/03/527042203.db2.gz LZLXLLKZPJNCOP-SNVBAGLBSA-N 1 0 280.328 1.134 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1COCCO1 ZINC000050443591 527334813 /nfs/dbraw/zinc/33/48/13/527334813.db2.gz VVGKCFQNLVSUDL-NSHDSACASA-N 1 0 286.715 1.753 20 5 CDBDRO COc1cc(C(=O)N[C@H](C)CC[NH3+])c([N+](=O)[O-])cc1OC ZINC000314379152 536514597 /nfs/dbraw/zinc/51/45/97/536514597.db2.gz QXGWMQJGUFLGCP-MRVPVSSYSA-N 1 0 297.311 1.079 20 5 CDBDRO CC(C)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)[NH+]1CCCC1 ZINC000263969020 535022706 /nfs/dbraw/zinc/02/27/06/535022706.db2.gz UHUPOAMAMISMMB-JTQLQIEISA-N 1 0 294.359 1.499 20 5 CDBDRO CCOc1ccc(C(=O)N[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000262529530 535707222 /nfs/dbraw/zinc/70/72/22/535707222.db2.gz MRRXDWXCLLWCRG-QMMMGPOBSA-N 1 0 267.285 1.071 20 5 CDBDRO CC[C@H]([NH3+])C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423732708 536138192 /nfs/dbraw/zinc/13/81/92/536138192.db2.gz ZTAXKMHPYVZRRJ-LBPRGKRZSA-N 1 0 277.324 1.823 20 5 CDBDRO CCc1ccc(C(=O)N(C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000237133929 536162499 /nfs/dbraw/zinc/16/24/99/536162499.db2.gz VVPDIGBPZSFMMW-UHFFFAOYSA-N 1 0 291.351 1.981 20 5 CDBDRO Nc1c(C(=O)OCC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000770394882 575445071 /nfs/dbraw/zinc/44/50/71/575445071.db2.gz AQVKATBNHLXIER-UHFFFAOYSA-N 1 0 293.323 1.820 20 5 CDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000773197403 575790154 /nfs/dbraw/zinc/79/01/54/575790154.db2.gz JVJJWFQKJSWLSO-JTQLQIEISA-N 1 0 295.314 1.948 20 5 CDBDRO COc1ccc(C[NH2+]C2(C(N)=O)CCCC2)cc1[N+](=O)[O-] ZINC000750048509 576973570 /nfs/dbraw/zinc/97/35/70/576973570.db2.gz JXDJKBJAWSNKOY-UHFFFAOYSA-N 1 0 293.323 1.491 20 5 CDBDRO C[C@@H]1COC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000932490162 617315052 /nfs/dbraw/zinc/31/50/52/617315052.db2.gz VGAYANATGLDBDE-OASPWFOLSA-N 1 0 266.297 1.253 20 5 CDBDRO Cc1n[nH]c(C(=O)N(C)CC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000890883881 617345199 /nfs/dbraw/zinc/34/51/99/617345199.db2.gz RLQFQWPQFDCNON-UHFFFAOYSA-N 1 0 297.359 1.286 20 5 CDBDRO CCC(CC)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000981138150 614557028 /nfs/dbraw/zinc/55/70/28/614557028.db2.gz MXSRMHIKLPGLOW-ZIAGYGMSSA-N 1 0 297.399 1.622 20 5 CDBDRO CC[N@H+](CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C(C)C ZINC000957713102 615017696 /nfs/dbraw/zinc/01/76/96/615017696.db2.gz MANAUZNZATXFBY-ZIAGYGMSSA-N 1 0 297.399 1.621 20 5 CDBDRO CCC[N@@H+]1CC[C@H](CNc2c([N+](=O)[O-])cnn2C)C1 ZINC000891968279 617903011 /nfs/dbraw/zinc/90/30/11/617903011.db2.gz VOJBRPRNHDUJQW-SNVBAGLBSA-N 1 0 267.333 1.472 20 5 CDBDRO C[C@@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[N@@H+](C2CCC2)C1 ZINC000893960811 618208799 /nfs/dbraw/zinc/20/87/99/618208799.db2.gz XNAHAWBZHNEDHI-NSHDSACASA-N 1 0 293.371 1.639 20 5 CDBDRO COC(=O)N1CC(C)([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000894543410 618953457 /nfs/dbraw/zinc/95/34/57/618953457.db2.gz XORNSEUBKRLRGC-UHFFFAOYSA-N 1 0 293.323 1.834 20 5 CDBDRO Cc1ccnc(N2CCC(O)(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000894956016 619159156 /nfs/dbraw/zinc/15/91/56/619159156.db2.gz NTYIAIUITGLHKU-UHFFFAOYSA-N 1 0 294.355 1.191 20 5 CDBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1F)[C@@H]1C[N@H+](C)CCN1C ZINC000895250049 619491155 /nfs/dbraw/zinc/49/11/55/619491155.db2.gz ZVCSEJRMWFXSEU-CABZTGNLSA-N 1 0 297.334 1.175 20 5 CDBDRO C[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@H]1C[N@H+](C)CCN1C ZINC000895247320 619494483 /nfs/dbraw/zinc/49/44/83/619494483.db2.gz IMWGPVJESGJHCW-CMPLNLGQSA-N 1 0 279.344 1.036 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H]2C(=O)NCC2(C)C)cc1[N+](=O)[O-] ZINC000895316403 619547158 /nfs/dbraw/zinc/54/71/58/619547158.db2.gz IQAGKXIAGMIOBM-GFCCVEGCSA-N 1 0 277.324 1.517 20 5 CDBDRO CC(C)C[C@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000896650832 620182138 /nfs/dbraw/zinc/18/21/38/620182138.db2.gz NFIPEXKJBOOSTK-NSHDSACASA-N 1 0 279.344 1.551 20 5 CDBDRO C[C@]1(C[NH2+]CC[N+](=O)[O-])OCCc2sccc21 ZINC000905264204 626713139 /nfs/dbraw/zinc/71/31/39/626713139.db2.gz RQIZKKCAEGIKKH-LLVKDONJSA-N 1 0 256.327 1.402 20 5 CDBDRO Cc1ccc(NCC[N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC000905323226 626749789 /nfs/dbraw/zinc/74/97/89/626749789.db2.gz DEUVOTVXIAJWLE-UHFFFAOYSA-N 1 0 267.329 1.624 20 5 CDBDRO C[NH+](C)CCOc1ccc(NCC[N+](=O)[O-])cc1 ZINC000905326828 626752291 /nfs/dbraw/zinc/75/22/91/626752291.db2.gz CGHUMPZNQUQARU-UHFFFAOYSA-N 1 0 253.302 1.316 20 5 CDBDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NCC[N+](=O)[O-])C1 ZINC000905329068 626770831 /nfs/dbraw/zinc/77/08/31/626770831.db2.gz JTNTVFOZDVXXSX-UHFFFAOYSA-N 1 0 293.367 1.504 20 5 CDBDRO C[C@H]1CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000905971444 627061053 /nfs/dbraw/zinc/06/10/53/627061053.db2.gz BKIQQPBIZSJTCQ-JQWIXIFHSA-N 1 0 266.297 1.429 20 5 CDBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCC[NH2+]CC1 ZINC000911656803 629402870 /nfs/dbraw/zinc/40/28/70/629402870.db2.gz UYFGRCRNJUTAQH-UONOGXRCSA-N 1 0 289.335 1.520 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911744405 629462956 /nfs/dbraw/zinc/46/29/56/629462956.db2.gz IYTLGAYYSHXTAB-TVYUQYBPSA-N 1 0 277.324 1.552 20 5 CDBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cnnn1C ZINC000925383368 630708553 /nfs/dbraw/zinc/70/85/53/630708553.db2.gz SJMUASKWJMQQQK-SNVBAGLBSA-N 1 0 291.311 1.453 20 5 CDBDRO C[C@@H](NC(=O)NC[C@H]1CC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000914239345 631280643 /nfs/dbraw/zinc/28/06/43/631280643.db2.gz BCTHIIRKXGLWSD-ZWNOBZJWSA-N 1 0 292.339 1.659 20 5 CDBDRO Cc1nn(C[C@H]2CCC[N@H+]2C)c2ncc([N+](=O)[O-])cc12 ZINC000917129623 632159752 /nfs/dbraw/zinc/15/97/52/632159752.db2.gz DHBQNXCUKFZBSP-SNVBAGLBSA-N 1 0 275.312 1.742 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]C2(C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC001170294623 1162327725 /nfs/dbraw/zinc/32/77/25/1162327725.db2.gz CCADAYRUFKXTTK-SECBINFHSA-N 1 0 293.323 1.142 20 5 CDBDRO COC(=O)CC[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170304239 1162329198 /nfs/dbraw/zinc/32/91/98/1162329198.db2.gz AHIBUPOCBNEXHA-SNVBAGLBSA-N 1 0 296.323 1.687 20 5 CDBDRO C[C@@H]1[C@@H]([NH3+])CCCN1c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001157742105 1162376358 /nfs/dbraw/zinc/37/63/58/1162376358.db2.gz CPTKHJSCWBNEMU-SCZZXKLOSA-N 1 0 275.312 1.787 20 5 CDBDRO Cc1cc(Cl)c(NCCN(C)CC[NH3+])c([N+](=O)[O-])c1 ZINC001170505373 1162670226 /nfs/dbraw/zinc/67/02/26/1162670226.db2.gz MZFKEZFHVMXFOW-UHFFFAOYSA-N 1 0 286.763 1.859 20 5 CDBDRO C[C@@H]([NH3+])c1ccn(-c2cc(Cl)ncc2[N+](=O)[O-])n1 ZINC001158350117 1162906552 /nfs/dbraw/zinc/90/65/52/1162906552.db2.gz XYASYWKKQVJWCJ-ZCFIWIBFSA-N 1 0 267.676 1.849 20 5 CDBDRO COc1nc(C)c(N[C@@H](C)[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC001170569397 1162949023 /nfs/dbraw/zinc/94/90/23/1162949023.db2.gz RTYZLHPBCSHTPJ-CABZTGNLSA-N 1 0 296.327 1.096 20 5 CDBDRO Cc1c(C)c(N2C[C@H]3COC[C@@H](C2)C3[NH3+])ncc1[N+](=O)[O-] ZINC001167188104 1158543168 /nfs/dbraw/zinc/54/31/68/1158543168.db2.gz QUNRBADXRUEFMH-QYJAPNMZSA-N 1 0 292.339 1.017 20 5 CDBDRO CC(C)(C)OC(=O)N1CC(OCCC[N+](C)(C)C)C1 ZINC001224618213 1160786312 /nfs/dbraw/zinc/78/63/12/1160786312.db2.gz DPSVXTILIGVSSB-UHFFFAOYSA-N 1 0 273.397 1.719 20 5 CDBDRO COC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168998481 1161996871 /nfs/dbraw/zinc/99/68/71/1161996871.db2.gz NMYPWLZMEFFVOI-RNJOBUHISA-N 1 0 284.356 1.753 20 5 CDBDRO Cc1cc(Cl)nc(-n2cc(C[NH3+])cn2)c1[N+](=O)[O-] ZINC001157471516 1162105964 /nfs/dbraw/zinc/10/59/64/1162105964.db2.gz HJKTUCRGHPLTNS-UHFFFAOYSA-N 1 0 267.676 1.596 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC001325225936 1164321333 /nfs/dbraw/zinc/32/13/33/1164321333.db2.gz IYJGVUNGTXHLRM-SNVBAGLBSA-N 1 0 280.303 1.803 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)nc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001155479605 1167189332 /nfs/dbraw/zinc/18/93/32/1167189332.db2.gz BYDRVKDSLWJTIA-SZEHBUNVSA-N 1 0 298.730 1.290 20 5 CDBDRO O=[N+]([O-])c1ccnc(NCc2noc3c2C[NH2+]CC3)c1 ZINC001155495941 1167197901 /nfs/dbraw/zinc/19/79/01/1167197901.db2.gz WFGXMHNSIKONMK-UHFFFAOYSA-N 1 0 275.268 1.236 20 5 CDBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC/C=C/C[NH3+] ZINC001577095944 1171600980 /nfs/dbraw/zinc/60/09/80/1171600980.db2.gz BCWOKNPRGCSTFH-ITDFMYJTSA-N 1 0 291.351 1.795 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@@H]([NH3+])C1 ZINC001579242626 1172124882 /nfs/dbraw/zinc/12/48/82/1172124882.db2.gz UUBJGNRSUPVUPO-OCAPTIKFSA-N 1 0 280.284 1.215 20 5 CDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001579537595 1172208216 /nfs/dbraw/zinc/20/82/16/1172208216.db2.gz YZZGLUURSPMPCL-LLVKDONJSA-N 1 0 295.314 1.770 20 5 CDBDRO [NH3+]C1(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])CCC1 ZINC001580140283 1172358977 /nfs/dbraw/zinc/35/89/77/1172358977.db2.gz UKRWIIYGXXYUIX-UHFFFAOYSA-N 1 0 286.291 1.963 20 5 CDBDRO [NH3+]Cc1ccccc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001580348451 1172411984 /nfs/dbraw/zinc/41/19/84/1172411984.db2.gz WTADKHNRGIPUND-UHFFFAOYSA-N 1 0 289.295 1.279 20 5 CDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC1[C@H]2C[NH2+]C[C@@H]12 ZINC001580494252 1172454272 /nfs/dbraw/zinc/45/42/72/1172454272.db2.gz RKJSKFPVVYYIHP-MCGNMLPQSA-N 1 0 287.319 1.190 20 5 CDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC001580833931 1172551410 /nfs/dbraw/zinc/55/14/10/1172551410.db2.gz WPKQBKZOLHMYEP-NXEZZACHSA-N 1 0 293.327 1.065 20 5 CDBDRO [NH3+]C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000156170114 1178176515 /nfs/dbraw/zinc/17/65/15/1178176515.db2.gz VUIXKRQEPYAQDN-LLVKDONJSA-N 1 0 280.284 1.426 20 5 CDBDRO C[N@@H+]1CCO[C@H]2CN(c3cc([N+](=O)[O-])cc(Cl)n3)C[C@@H]21 ZINC001164669453 719371380 /nfs/dbraw/zinc/37/13/80/719371380.db2.gz QCJWQTNJIMEYQX-UWVGGRQHSA-N 1 0 298.730 1.162 20 5 CDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)C[C@H](C)[NH2+]1 ZINC000053712210 1166877416 /nfs/dbraw/zinc/87/74/16/1166877416.db2.gz XCBRCNBTUGGCNZ-OCAPTIKFSA-N 1 0 277.284 1.318 20 5 CDBDRO Cc1nn(CN2CC[NH+](CC(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000067189478 844085356 /nfs/dbraw/zinc/08/53/56/844085356.db2.gz RPBMPWANXKKYBS-UHFFFAOYSA-N 1 0 295.387 1.639 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH3+])c1C ZINC000884008671 844292409 /nfs/dbraw/zinc/29/24/09/844292409.db2.gz XKSLYPKYNKPQMW-UHFFFAOYSA-N 1 0 251.286 1.290 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000876522254 844371434 /nfs/dbraw/zinc/37/14/34/844371434.db2.gz LYZYHUORWJLPKC-NSHDSACASA-N 1 0 277.324 1.693 20 5 CDBDRO CC[C@@H](O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000850531979 844530833 /nfs/dbraw/zinc/53/08/33/844530833.db2.gz PUEFVDNEANSFHX-OAHLLOKOSA-N 1 0 293.367 1.924 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000843507287 844546283 /nfs/dbraw/zinc/54/62/83/844546283.db2.gz LMLDMIXWVZKOBD-JGVFFNPUSA-N 1 0 266.301 1.033 20 5 CDBDRO C[C@H]([NH3+])CN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000863565607 844552206 /nfs/dbraw/zinc/55/22/06/844552206.db2.gz OPUDYMFNFHOMFM-UWVGGRQHSA-N 1 0 280.328 1.201 20 5 CDBDRO CO[C@@H](C)C[N@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000795754061 843022500 /nfs/dbraw/zinc/02/25/00/843022500.db2.gz YIOCLJUZJAUUGC-JTQLQIEISA-N 1 0 278.312 1.869 20 5 CDBDRO Nc1ccc(-c2noc(CCCC[NH3+])n2)cc1[N+](=O)[O-] ZINC000843169337 843068066 /nfs/dbraw/zinc/06/80/66/843068066.db2.gz CGVXOJHXFPCGQN-UHFFFAOYSA-N 1 0 277.284 1.508 20 5 CDBDRO CC[C@@H](O)CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000135046953 843260043 /nfs/dbraw/zinc/26/00/43/843260043.db2.gz OIAWSSZNVJFCNP-OLZOCXBDSA-N 1 0 268.313 1.379 20 5 CDBDRO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000840119342 843334933 /nfs/dbraw/zinc/33/49/33/843334933.db2.gz HGDNQVCFLLCWEM-UPJWGTAASA-N 1 0 280.328 1.374 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000818015831 843548449 /nfs/dbraw/zinc/54/84/49/843548449.db2.gz JFEWDXAUMSPYGN-OAHLLOKOSA-N 1 0 289.335 1.871 20 5 CDBDRO COc1ccc(CN2CC[C@@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000415137003 843787074 /nfs/dbraw/zinc/78/70/74/843787074.db2.gz MUCHBJHRYPDFCU-HNNXBMFYSA-N 1 0 291.351 1.931 20 5 CDBDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886001927 843791583 /nfs/dbraw/zinc/79/15/83/843791583.db2.gz NCYULNKPOIMFOQ-JQWIXIFHSA-N 1 0 265.313 1.725 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000882480334 843810457 /nfs/dbraw/zinc/81/04/57/843810457.db2.gz QVPMXMIGZULCNB-NSHDSACASA-N 1 0 277.324 1.727 20 5 CDBDRO O=[N+]([O-])CC[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000929311945 843874608 /nfs/dbraw/zinc/87/46/08/843874608.db2.gz WKFOBOJCOLBFCD-CHWSQXEVSA-N 1 0 261.325 1.331 20 5 CDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000831873695 843878615 /nfs/dbraw/zinc/87/86/15/843878615.db2.gz ZXVWATSSJSERBS-CHWSQXEVSA-N 1 0 297.399 1.907 20 5 CDBDRO O=[N+]([O-])c1cccc(OCCN2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000420410664 843887217 /nfs/dbraw/zinc/88/72/17/843887217.db2.gz WUUBTTMGNGCAMV-OAHLLOKOSA-N 1 0 291.351 1.802 20 5 CDBDRO Cc1nn(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000808192689 843895380 /nfs/dbraw/zinc/89/53/80/843895380.db2.gz RDFJUYZAFGHLKE-QWHCGFSZSA-N 1 0 293.371 1.616 20 5 CDBDRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(C)C ZINC000839699073 843960574 /nfs/dbraw/zinc/96/05/74/843960574.db2.gz IAUSUPQSIVZVDS-YNEHKIRRSA-N 1 0 285.388 1.524 20 5 CDBDRO NC1(c2nc(Cc3ccccc3[N+](=O)[O-])no2)CC1 ZINC000843170944 844646011 /nfs/dbraw/zinc/64/60/11/844646011.db2.gz NMJWGCNIDRMTJI-UHFFFAOYSA-N 1 0 260.253 1.516 20 5 CDBDRO NC(=O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000036746753 844811967 /nfs/dbraw/zinc/81/19/67/844811967.db2.gz YMMWAUQDCUXDTK-UHFFFAOYSA-N 1 0 257.677 1.213 20 5 CDBDRO O=[N+]([O-])c1ncccc1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000134497508 844891558 /nfs/dbraw/zinc/89/15/58/844891558.db2.gz IRLPPLVZJJZTDZ-MNOVXSKESA-N 1 0 278.312 1.265 20 5 CDBDRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(F)cc1 ZINC000839551212 844949631 /nfs/dbraw/zinc/94/96/31/844949631.db2.gz KHCBLEYJWWSLGT-UPJWGTAASA-N 1 0 295.314 1.210 20 5 CDBDRO COc1ccc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000132008311 845012944 /nfs/dbraw/zinc/01/29/44/845012944.db2.gz XYLPCVHJLOHAIJ-ZJUUUORDSA-N 1 0 293.323 1.413 20 5 CDBDRO [NH3+]C1CCC(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000211457522 845050031 /nfs/dbraw/zinc/05/00/31/845050031.db2.gz YAESEYUAWQVBDS-KMKOMSMNSA-N 1 0 289.335 1.994 20 5 CDBDRO C[N@@H+]1CCC[C@]2(CCN(Cc3cccnc3[N+](=O)[O-])C2)C1 ZINC000886217593 845076012 /nfs/dbraw/zinc/07/60/12/845076012.db2.gz CXFXRSGZUOWDLR-HNNXBMFYSA-N 1 0 290.367 1.908 20 5 CDBDRO CC[S@@](=O)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000132777314 845078460 /nfs/dbraw/zinc/07/84/60/845078460.db2.gz ASLFFAAMOICURG-SFHVURJKSA-N 1 0 270.354 1.496 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000829593560 845117100 /nfs/dbraw/zinc/11/71/00/845117100.db2.gz QJDJQGZABNQFCZ-SNPRPXQTSA-N 1 0 292.335 1.739 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)CCC(C)(C)[N+](=O)[O-])CC[C@H]21 ZINC000827009199 845269877 /nfs/dbraw/zinc/26/98/77/845269877.db2.gz NDWQTCRYLUVBNQ-QWHCGFSZSA-N 1 0 297.399 1.765 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000931281281 845334070 /nfs/dbraw/zinc/33/40/70/845334070.db2.gz WJIVIODPCTWVGC-BARDWOONSA-N 1 0 291.351 1.120 20 5 CDBDRO CSC1CC([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000925563107 845345306 /nfs/dbraw/zinc/34/53/06/845345306.db2.gz AIANHBHRLHWHQI-UHFFFAOYSA-N 1 0 256.331 1.275 20 5 CDBDRO CCN(CC)C[C@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158638073 845417965 /nfs/dbraw/zinc/41/79/65/845417965.db2.gz FBDQIUUTUGPCBF-SWLSCSKDSA-N 1 0 295.383 1.948 20 5 CDBDRO CC(C)(Cn1cc(CC[NH+]2CCCCC2)nn1)[N+](=O)[O-] ZINC000864641983 845517138 /nfs/dbraw/zinc/51/71/38/845517138.db2.gz FRZSJBXQLUHQQP-UHFFFAOYSA-N 1 0 281.360 1.362 20 5 CDBDRO C[NH+](C)CCCOC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000792112742 845559651 /nfs/dbraw/zinc/55/96/51/845559651.db2.gz YQOPIVGKTWPQPF-UHFFFAOYSA-N 1 0 267.285 1.286 20 5 CDBDRO C[C@@H](N[C@H]1CCC[NH2+]C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817942116 845576783 /nfs/dbraw/zinc/57/67/83/845576783.db2.gz WWKFZOHEYZNUTC-KOLCDFICSA-N 1 0 264.329 1.580 20 5 CDBDRO C[C@@H]1[NH2+]C[C@H](C)N(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000923434781 845684565 /nfs/dbraw/zinc/68/45/65/845684565.db2.gz AJNKVXAIKHOKIB-ASHKBJFXSA-N 1 0 293.367 1.699 20 5 CDBDRO C[C@@H]([NH2+]CCN1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000775188265 845761318 /nfs/dbraw/zinc/76/13/18/845761318.db2.gz YLDVAZAVPKFJST-SNVBAGLBSA-N 1 0 279.296 1.698 20 5 CDBDRO C[C@@H](Cn1ccnc1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158632015 845880508 /nfs/dbraw/zinc/88/05/08/845880508.db2.gz ZDNIIAACQAHOEI-FZMZJTMJSA-N 1 0 290.323 1.503 20 5 CDBDRO O=C(NCC[NH2+]C1CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000237774117 845999045 /nfs/dbraw/zinc/99/90/45/845999045.db2.gz XXVRQIWDHYXVEB-UHFFFAOYSA-N 1 0 283.715 1.730 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1C[C@H](CO)C1 ZINC000923007666 846062139 /nfs/dbraw/zinc/06/21/39/846062139.db2.gz MDLVWBVZMKDSTD-WASLNJNHSA-N 1 0 262.309 1.969 20 5 CDBDRO [NH3+][C@H]1C[C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000715113155 846133898 /nfs/dbraw/zinc/13/38/98/846133898.db2.gz BKUNREORBGJMJR-MGCOHNPYSA-N 1 0 295.364 1.540 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](CO)CC(F)F)cc1 ZINC000717834699 846444699 /nfs/dbraw/zinc/44/46/99/846444699.db2.gz JLPFFEIHWLHWHJ-GXSJLCMTSA-N 1 0 290.266 1.234 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000049085909 846483030 /nfs/dbraw/zinc/48/30/30/846483030.db2.gz WPBVCVYPXCFWCT-NSHDSACASA-N 1 0 265.313 1.397 20 5 CDBDRO CCc1nn(C)c(NC[C@@H]2C[NH2+]C[C@H]2C)c1[N+](=O)[O-] ZINC000723816148 846624299 /nfs/dbraw/zinc/62/42/99/846624299.db2.gz JGIYXUYUXWDMDT-BDAKNGLRSA-N 1 0 267.333 1.158 20 5 CDBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839797953 846695294 /nfs/dbraw/zinc/69/52/94/846695294.db2.gz RVBOKXCQHMCSTK-VXGBXAGGSA-N 1 0 297.380 1.304 20 5 CDBDRO CC[C@]1(O)CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000778402387 846710128 /nfs/dbraw/zinc/71/01/28/846710128.db2.gz QMFDNVSIYDQKTN-KBPBESRZSA-N 1 0 280.324 1.475 20 5 CDBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000862795361 846713125 /nfs/dbraw/zinc/71/31/25/846713125.db2.gz KDCZZUBKXQOWIG-LBPRGKRZSA-N 1 0 285.388 1.670 20 5 CDBDRO COCC[NH2+]CCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000215524102 846784045 /nfs/dbraw/zinc/78/40/45/846784045.db2.gz MQYVEZYWEGICHM-UHFFFAOYSA-N 1 0 253.302 1.551 20 5 CDBDRO Cc1c(NC(=O)[C@H](C)N(C)C[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000863568154 846811891 /nfs/dbraw/zinc/81/18/91/846811891.db2.gz HYJVSGWOUIVJRI-ONGXEEELSA-N 1 0 294.355 1.509 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCn2ccnc2)c1 ZINC000818957824 846863423 /nfs/dbraw/zinc/86/34/23/846863423.db2.gz HHSYYSGQYODEMK-CYBMUJFWSA-N 1 0 276.296 1.115 20 5 CDBDRO CC(C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001034816909 846877623 /nfs/dbraw/zinc/87/76/23/846877623.db2.gz VMRPUGCNNXADPH-ZIAGYGMSSA-N 1 0 291.351 1.466 20 5 CDBDRO C[C@H](O)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592164 846891290 /nfs/dbraw/zinc/89/12/90/846891290.db2.gz ZOURXEAJIIXAJJ-NJZAAPMLSA-N 1 0 294.351 1.721 20 5 CDBDRO CCC(CC)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025778545 846906921 /nfs/dbraw/zinc/90/69/21/846906921.db2.gz UMOZFMNCFXNRMR-RGDJUOJXSA-N 1 0 295.383 1.134 20 5 CDBDRO Cc1cc(=O)n(CC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000096548157 846946835 /nfs/dbraw/zinc/94/68/35/846946835.db2.gz BTSLPBHAKWTSAZ-UHFFFAOYSA-N 1 0 251.286 1.161 20 5 CDBDRO C[NH+](C)CCCOC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000792015253 846968899 /nfs/dbraw/zinc/96/88/99/846968899.db2.gz FSVIRMHAEVUSBI-UHFFFAOYSA-N 1 0 270.260 1.842 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000127226632 847062796 /nfs/dbraw/zinc/06/27/96/847062796.db2.gz BDKHZWVRAJBDHN-FYJFLYSWSA-N 1 0 275.308 1.428 20 5 CDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000928553280 847122150 /nfs/dbraw/zinc/12/21/50/847122150.db2.gz MLPIADVVDXCCTI-HZSPNIEDSA-N 1 0 289.335 1.519 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877167659 847160569 /nfs/dbraw/zinc/16/05/69/847160569.db2.gz FVDHOKDNNIMDQT-IUCAKERBSA-N 1 0 281.699 1.435 20 5 CDBDRO COCC[N@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])nc2)C[C@@H]1C ZINC000826628670 847199500 /nfs/dbraw/zinc/19/95/00/847199500.db2.gz DHLDAWGERWPTME-TXEJJXNPSA-N 1 0 294.355 1.535 20 5 CDBDRO CCNC(=O)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783652579 847202619 /nfs/dbraw/zinc/20/26/19/847202619.db2.gz CSSRXAXGFBFQCB-QMMMGPOBSA-N 1 0 285.731 1.862 20 5 CDBDRO C[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000923288394 847268234 /nfs/dbraw/zinc/26/82/34/847268234.db2.gz JJBURGXHGIMWRR-BYCMXARLSA-N 1 0 293.367 1.687 20 5 CDBDRO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000778256244 847300128 /nfs/dbraw/zinc/30/01/28/847300128.db2.gz ZJNLRZHIHIOUQT-DDTOSNHZSA-N 1 0 280.324 1.331 20 5 CDBDRO [NH3+]C1(CO)CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000804458298 847418943 /nfs/dbraw/zinc/41/89/43/847418943.db2.gz KIUBEKAYSFNQRO-UHFFFAOYSA-N 1 0 269.276 1.024 20 5 CDBDRO CCCNC(=O)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866215384 847587214 /nfs/dbraw/zinc/58/72/14/847587214.db2.gz LMTKJGDMJIOREF-SNVBAGLBSA-N 1 0 297.330 1.781 20 5 CDBDRO CC[C@H]([NH2+]C)c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000854159539 847722560 /nfs/dbraw/zinc/72/25/60/847722560.db2.gz FNHBKDMDYGALKH-LURJTMIESA-N 1 0 252.230 1.908 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](CF)C2)c1 ZINC000880296749 847750878 /nfs/dbraw/zinc/75/08/78/847750878.db2.gz FYXKSMBIGBXXRW-MFKMUULPSA-N 1 0 268.288 1.920 20 5 CDBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839619579 847751887 /nfs/dbraw/zinc/75/18/87/847751887.db2.gz YVTIYUWSTPTRSJ-ZIAGYGMSSA-N 1 0 291.351 1.372 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000089106086 847791663 /nfs/dbraw/zinc/79/16/63/847791663.db2.gz YLTIOQXEUXBADD-SFYZADRCSA-N 1 0 281.341 1.843 20 5 CDBDRO O=[N+]([O-])c1ccc(Cc2noc(CC[NH2+]C3CC3)n2)nc1 ZINC000848622942 847865099 /nfs/dbraw/zinc/86/50/99/847865099.db2.gz CNRFYZFEYSNVQG-UHFFFAOYSA-N 1 0 289.295 1.258 20 5 CDBDRO CC1(C)OC[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000819155061 847916168 /nfs/dbraw/zinc/91/61/68/847916168.db2.gz MOHWTKATDANIDD-OLZOCXBDSA-N 1 0 296.323 1.369 20 5 CDBDRO O=[N+]([O-])c1cccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923520359 847960432 /nfs/dbraw/zinc/96/04/32/847960432.db2.gz WXAJFQAGOUQXKO-QWHCGFSZSA-N 1 0 261.325 1.636 20 5 CDBDRO C[C@@H]1CN(c2ncccc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC000723916006 847990517 /nfs/dbraw/zinc/99/05/17/847990517.db2.gz QKKSXELMKXWVPE-NXEZZACHSA-N 1 0 250.302 1.411 20 5 CDBDRO Cc1c(F)cc([N+](=O)[O-])cc1-n1ccnc1C(N)=[NH2+] ZINC001168419714 912223840 /nfs/dbraw/zinc/22/38/40/912223840.db2.gz JSXDTPKMCDKDTP-UHFFFAOYSA-N 1 0 263.232 1.512 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@H](O)C2)c1F ZINC001173186487 912281290 /nfs/dbraw/zinc/28/12/90/912281290.db2.gz SGKLEALWUDWXCY-VHSXEESVSA-N 1 0 298.314 1.740 20 5 CDBDRO CC(=O)NC[C@@H](C)C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173219316 912303048 /nfs/dbraw/zinc/30/30/48/912303048.db2.gz AUNMPLIXYUVJIM-NWDGAFQWSA-N 1 0 293.367 1.888 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](O)[C@@H](F)C1 ZINC001173221036 912305322 /nfs/dbraw/zinc/30/53/22/912305322.db2.gz FLIPZLTVFRYQRU-DDTOSNHZSA-N 1 0 282.315 1.931 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001173221029 912303966 /nfs/dbraw/zinc/30/39/66/912303966.db2.gz FJGRNXVWHYRZER-ZLDLUXBVSA-N 1 0 294.351 1.201 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)C1CC1 ZINC001173220819 912307034 /nfs/dbraw/zinc/30/70/34/912307034.db2.gz GYYMSYYRSHVVEW-YGRLFVJLSA-N 1 0 264.325 1.886 20 5 CDBDRO CC(=O)N[C@H]1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173229895 912322234 /nfs/dbraw/zinc/32/22/34/912322234.db2.gz BNYQIBIQZNHWQG-RISCZKNCSA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)CO ZINC001173213495 912336410 /nfs/dbraw/zinc/33/64/10/912336410.db2.gz FOKXFYIRDGRZGS-JTQLQIEISA-N 1 0 252.314 1.886 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C=CS(=O)(=O)C1 ZINC001173214797 912337691 /nfs/dbraw/zinc/33/76/91/912337691.db2.gz QJUVQJGJJQJONW-CMPLNLGQSA-N 1 0 296.348 1.426 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@H+](C)C1 ZINC001167268517 895002967 /nfs/dbraw/zinc/00/29/67/895002967.db2.gz NBHZNSYEWYIBEH-QMMMGPOBSA-N 1 0 252.274 1.114 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1-n1ccc2cc(C[NH3+])cnc21 ZINC001167301343 895165472 /nfs/dbraw/zinc/16/54/72/895165472.db2.gz AMYGFRLYHIQZAJ-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO [NH3+]Cc1cccn1-c1ccc2nsnc2c1[N+](=O)[O-] ZINC001167593060 896946232 /nfs/dbraw/zinc/94/62/32/896946232.db2.gz JJKPNTBKGYYROK-UHFFFAOYSA-N 1 0 275.293 1.849 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(-n2cc(C[NH3+])cnc2=N)nc1Cl ZINC001161414601 898030639 /nfs/dbraw/zinc/03/06/39/898030639.db2.gz DCGOTSICKQQCHV-UHFFFAOYSA-N 1 0 294.702 1.075 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1ccnc2c1cccc2[N+](=O)[O-] ZINC001167691701 898242279 /nfs/dbraw/zinc/24/22/79/898242279.db2.gz GXXRZISTRFXVJT-UHFFFAOYSA-N 1 0 295.302 1.872 20 5 CDBDRO O=[N+]([O-])c1c(Cl)nccc1O[C@H]1CCC[NH2+]C1 ZINC001218282793 898594101 /nfs/dbraw/zinc/59/41/01/898594101.db2.gz CYCSIBKIVBNYKB-ZETCQYMHSA-N 1 0 257.677 1.774 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCC[NH2+]C1 ZINC001218283682 898598913 /nfs/dbraw/zinc/59/89/13/898598913.db2.gz KOPAFSMYFDGCCO-JTQLQIEISA-N 1 0 280.280 1.512 20 5 CDBDRO Cc1cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1C ZINC001225216905 902377825 /nfs/dbraw/zinc/37/78/25/902377825.db2.gz OSEMEAAJRPUTID-CYBMUJFWSA-N 1 0 266.361 1.666 20 5 CDBDRO CC(C)(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1ccccc1 ZINC001223951053 908722829 /nfs/dbraw/zinc/72/28/29/908722829.db2.gz ACEPOTBKDXUCEA-CQSZACIVSA-N 1 0 280.388 1.922 20 5 CDBDRO CO[C@]1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000160345932 909949999 /nfs/dbraw/zinc/94/99/99/909949999.db2.gz JIWLMODZJWBWGC-KBPBESRZSA-N 1 0 296.323 1.023 20 5 CDBDRO COC(=O)CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172913439 912103442 /nfs/dbraw/zinc/10/34/42/912103442.db2.gz VWTSGRHTPPTUJC-ZDUSSCGKSA-N 1 0 292.335 1.995 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H]2C1 ZINC000832225395 936566362 /nfs/dbraw/zinc/56/63/62/936566362.db2.gz LZMMKTCEZBZCRW-NEPJUHHUSA-N 1 0 283.372 1.232 20 5 CDBDRO CCC1(Nc2ccc(NC(C)=O)c([N+](=O)[O-])c2)C[NH2+]C1 ZINC001168582673 919286913 /nfs/dbraw/zinc/28/69/13/919286913.db2.gz WHHACJDKDPGXNT-UHFFFAOYSA-N 1 0 278.312 1.717 20 5 CDBDRO [NH3+]Cc1ccnn1-c1c(Cl)cncc1[N+](=O)[O-] ZINC001162594051 922788182 /nfs/dbraw/zinc/78/81/82/922788182.db2.gz YQJPJWOTYFEWQR-UHFFFAOYSA-N 1 0 253.649 1.288 20 5 CDBDRO COC(=O)[C@@H](Nc1cc(F)cc([N+](=O)[O-])c1C)C(C)(C)[NH3+] ZINC001162947403 923273077 /nfs/dbraw/zinc/27/30/77/923273077.db2.gz GBXOMFDFQSTVFI-LLVKDONJSA-N 1 0 299.302 1.733 20 5 CDBDRO C[NH+](C)CC(C)(C)CNc1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001168763456 924008993 /nfs/dbraw/zinc/00/89/93/924008993.db2.gz JIVCRYCENNNHJQ-UHFFFAOYSA-N 1 0 292.343 1.866 20 5 CDBDRO CC(C)N(CCC[NH3+])c1cc2c(c([N+](=O)[O-])c1)NN(C)C2 ZINC001164129043 924613712 /nfs/dbraw/zinc/61/37/12/924613712.db2.gz VFJWNYZQRKOGHZ-UHFFFAOYSA-N 1 0 293.371 1.931 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N1CCC(C[NH+](C)C)CC1 ZINC000824615039 925831609 /nfs/dbraw/zinc/83/16/09/925831609.db2.gz MUOAGSNXCJFOBP-UHFFFAOYSA-N 1 0 294.355 1.776 20 5 CDBDRO [NH3+][C@@H]1CCc2nn(-c3cnc(Cl)cc3[N+](=O)[O-])cc2C1 ZINC001168811142 927464705 /nfs/dbraw/zinc/46/47/05/927464705.db2.gz ICGSKTVXFWMFTN-MRVPVSSYSA-N 1 0 293.714 1.645 20 5 CDBDRO [NH3+]Cc1ccc2ncn(-c3nccnc3[N+](=O)[O-])c2c1 ZINC001168838315 927483770 /nfs/dbraw/zinc/48/37/70/927483770.db2.gz ICEWSSWCDHUNNM-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2[C@@H]3C[C@@H]4C[C@H]2C[C@](O)(C3)C4)C1 ZINC001168955503 927577535 /nfs/dbraw/zinc/57/75/35/927577535.db2.gz BBJZPTGJSREUKB-MISMKOALSA-N 1 0 294.395 1.961 20 5 CDBDRO Cc1nc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cs1 ZINC001168958877 927579948 /nfs/dbraw/zinc/57/99/48/927579948.db2.gz QTUVEVUXFGJZEW-ZJUUUORDSA-N 1 0 255.343 1.987 20 5 CDBDRO CC(C)(C)OC(=O)N1CC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168960590 927580444 /nfs/dbraw/zinc/58/04/44/927580444.db2.gz FOXFQPYCSXJBCS-WDEREUQCSA-N 1 0 299.371 1.641 20 5 CDBDRO COc1cccc(CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168965084 927587474 /nfs/dbraw/zinc/58/74/74/927587474.db2.gz XVJPOECFSSWULT-WCQYABFASA-N 1 0 279.340 1.668 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc3c2OCCO3)C1 ZINC001168971447 927594159 /nfs/dbraw/zinc/59/41/59/927594159.db2.gz LDASCROCCAIJSN-AAEUAGOBSA-N 1 0 292.335 1.993 20 5 CDBDRO O=C(C1CC1)N1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168995029 927600683 /nfs/dbraw/zinc/60/06/83/927600683.db2.gz RAUUUNIPJUJPEM-WXHSDQCUSA-N 1 0 281.356 1.032 20 5 CDBDRO COC(=O)N1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168995082 927601485 /nfs/dbraw/zinc/60/14/85/927601485.db2.gz RFOPWMOVAVIQRH-PWSUYJOCSA-N 1 0 285.344 1.252 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3nccn3c2)C1 ZINC001169003581 927605136 /nfs/dbraw/zinc/60/51/36/927605136.db2.gz OKICIIVTBZAJPH-DGCLKSJQSA-N 1 0 274.324 1.869 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(COC3)CC2)C1 ZINC001169008727 927614680 /nfs/dbraw/zinc/61/46/80/927614680.db2.gz UJJQZEIZZQCMIK-VXGBXAGGSA-N 1 0 254.330 1.544 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]3COC[C@@H]3C2)C1 ZINC001169014006 927619988 /nfs/dbraw/zinc/61/99/88/927619988.db2.gz XSMNURVRLUWRBK-FVCCEPFGSA-N 1 0 254.330 1.400 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCN2CCCC(F)(F)C2)C1 ZINC001168986940 927622282 /nfs/dbraw/zinc/62/22/82/927622282.db2.gz GKSBLWMYTXKUAL-NEPJUHHUSA-N 1 0 291.342 1.753 20 5 CDBDRO CCOc1nccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168990003 927629227 /nfs/dbraw/zinc/62/92/27/927629227.db2.gz ALYBHCOPUHLMFH-QWRGUYRKSA-N 1 0 280.328 1.410 20 5 CDBDRO CCC(=O)N1CCC(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168990946 927630300 /nfs/dbraw/zinc/63/03/00/927630300.db2.gz FTLJVSHGZGDKNI-KBPBESRZSA-N 1 0 297.399 1.670 20 5 CDBDRO CC(C)C(=O)N1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168991346 927632332 /nfs/dbraw/zinc/63/23/32/927632332.db2.gz GMBSJTLSXCCJNP-AVGNSLFASA-N 1 0 283.372 1.278 20 5 CDBDRO CCOCC[NH+](CCOCC)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169034571 927640514 /nfs/dbraw/zinc/64/05/14/927640514.db2.gz HYKUJBRQJZRNEB-UONOGXRCSA-N 1 0 288.388 1.807 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](n3cncn3)C2)C1 ZINC001169034202 927641537 /nfs/dbraw/zinc/64/15/37/927641537.db2.gz FXEPGWYDTKJOGP-UPJWGTAASA-N 1 0 279.344 1.360 20 5 CDBDRO C[NH2+]Cc1c(C)nn([C@H]2CC[C@H](C[N+](=O)[O-])C2)c1C ZINC001169035063 927642153 /nfs/dbraw/zinc/64/21/53/927642153.db2.gz ACIITLMRAZYYBC-RYUDHWBXSA-N 1 0 266.345 1.837 20 5 CDBDRO N=c1sc2c(n1[C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC[NH2+]C2 ZINC001169035911 927645150 /nfs/dbraw/zinc/64/51/50/927645150.db2.gz MGNCBJWUCFQXON-BDAKNGLRSA-N 1 0 282.369 1.293 20 5 CDBDRO CC(C)[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCO1 ZINC001169036991 927647165 /nfs/dbraw/zinc/64/71/65/927647165.db2.gz HUOAMXGRFNODOW-AGIUHOORSA-N 1 0 256.346 1.789 20 5 CDBDRO O=C1CCCN1C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169036855 927647708 /nfs/dbraw/zinc/64/77/08/927647708.db2.gz HSJWZYFUHKPGGI-OCCSQVGLSA-N 1 0 295.383 1.519 20 5 CDBDRO COC(=O)C[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169038651 927650028 /nfs/dbraw/zinc/65/00/28/927650028.db2.gz JVIIVSBMIQUAJI-XQQFMLRXSA-N 1 0 284.356 1.707 20 5 CDBDRO CC(C)[C@H]1COCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169041637 927654269 /nfs/dbraw/zinc/65/42/69/927654269.db2.gz BSDNSWHOFIBNET-YNEHKIRRSA-N 1 0 256.346 1.789 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC([NH+]3CCCCC3)C2)C1 ZINC001169040110 927654573 /nfs/dbraw/zinc/65/45/73/927654573.db2.gz XYVUITFSYXESTB-CHWSQXEVSA-N 1 0 267.373 1.602 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CC[C@H](Oc3ccccn3)C2)C1 ZINC001169042473 927655820 /nfs/dbraw/zinc/65/58/20/927655820.db2.gz DUWWLIUQYUNSBW-MJBXVCDLSA-N 1 0 291.351 1.980 20 5 CDBDRO COC(=O)C[C@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169053883 927673455 /nfs/dbraw/zinc/67/34/55/927673455.db2.gz JXVKEKUJXAPIDC-TUAOUCFPSA-N 1 0 270.329 1.317 20 5 CDBDRO CC(C)C(=O)N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169056374 927674930 /nfs/dbraw/zinc/67/49/30/927674930.db2.gz SLGQROXASXPMML-OLZOCXBDSA-N 1 0 283.372 1.232 20 5 CDBDRO COC(=O)[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC12CC2 ZINC001169057833 927675258 /nfs/dbraw/zinc/67/52/58/927675258.db2.gz XYCLAFQJPMHUCN-SRVKXCTJSA-N 1 0 282.340 1.317 20 5 CDBDRO COC(=O)[C@]1(C)CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169057964 927675954 /nfs/dbraw/zinc/67/59/54/927675954.db2.gz ZOMJOUBKCLKMCA-GMXVVIOVSA-N 1 0 270.329 1.317 20 5 CDBDRO Cc1c([N+](=O)[O-])cc(F)cc1-n1cncc1C[C@@H]([NH3+])CO ZINC001169073203 927690421 /nfs/dbraw/zinc/69/04/21/927690421.db2.gz CHEXZQSGMJPNQI-SNVBAGLBSA-N 1 0 294.286 1.090 20 5 CDBDRO Cc1ccc(OCCOC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001206631780 937202577 /nfs/dbraw/zinc/20/25/77/937202577.db2.gz ZEWNLBBMGZAVTG-CQSZACIVSA-N 1 0 296.387 1.374 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NCC[C@H]1CCC[NH2+]1 ZINC001169562442 928178345 /nfs/dbraw/zinc/17/83/45/928178345.db2.gz XOVVKCQFOFOWRN-SECBINFHSA-N 1 0 266.301 1.552 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCCCO2)nc1C1C[NH2+]C1 ZINC001156381425 928455278 /nfs/dbraw/zinc/45/52/78/928455278.db2.gz QLHOONJTXWITEL-JTQLQIEISA-N 1 0 293.327 1.053 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CCNc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001156390096 928479599 /nfs/dbraw/zinc/47/95/99/928479599.db2.gz VKBBBBHYEUOULB-JTQLQIEISA-N 1 0 279.344 1.716 20 5 CDBDRO C[NH2+]CCNc1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001156897179 929044036 /nfs/dbraw/zinc/04/40/36/929044036.db2.gz FXJDNKRJEBWFDZ-UHFFFAOYSA-N 1 0 273.296 1.683 20 5 CDBDRO COc1cc(NC[C@H]2COCC[NH2+]2)cc([N+](=O)[O-])c1C ZINC001170042504 929120394 /nfs/dbraw/zinc/12/03/94/929120394.db2.gz AEWXMCLGXQUBTP-NSHDSACASA-N 1 0 281.312 1.312 20 5 CDBDRO CC(=O)Nc1ccc(N(C)C(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC001170059721 929247207 /nfs/dbraw/zinc/24/72/07/929247207.db2.gz UAKBWAXGBJJLPJ-UHFFFAOYSA-N 1 0 280.328 1.727 20 5 CDBDRO COc1cnc(N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001157266481 929414094 /nfs/dbraw/zinc/41/40/94/929414094.db2.gz SXJNPVLVEUSCOF-ZWNOBZJWSA-N 1 0 292.339 1.529 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001170779105 929956948 /nfs/dbraw/zinc/95/69/48/929956948.db2.gz IPRPLBGOOGSEMN-NWDGAFQWSA-N 1 0 279.340 1.512 20 5 CDBDRO O=[N+]([O-])/C=C/c1ccc(Cl)cc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001170782304 929972460 /nfs/dbraw/zinc/97/24/60/929972460.db2.gz MRTQKTWKKYZADG-JTHYSYLISA-N 1 0 297.742 1.580 20 5 CDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@@]([NH3+])(CC)CO ZINC001170864335 930511382 /nfs/dbraw/zinc/51/13/82/930511382.db2.gz SYEFWVVTVLRCPH-ZDUSSCGKSA-N 1 0 297.311 1.241 20 5 CDBDRO C[C@@H](NCC[NH2+]C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817953410 930644859 /nfs/dbraw/zinc/64/48/59/930644859.db2.gz MZXUCAIZPLKBKO-SECBINFHSA-N 1 0 264.329 1.580 20 5 CDBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1N ZINC001155029197 937623018 /nfs/dbraw/zinc/62/30/18/937623018.db2.gz FBRXITUMEOFVDZ-UWVGGRQHSA-N 1 0 279.344 1.620 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001155187558 937646356 /nfs/dbraw/zinc/64/63/56/937646356.db2.gz KVMNFGAQWSZIKN-LDYMZIIASA-N 1 0 273.296 1.700 20 5 CDBDRO O=[N+]([O-])CCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000930459730 933380843 /nfs/dbraw/zinc/38/08/43/933380843.db2.gz JCKHYWZAYMFGEI-MRXNPFEDSA-N 1 0 289.379 1.861 20 5 CDBDRO C[C@H](NC(=O)[C@H](C)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC001119695343 937748292 /nfs/dbraw/zinc/74/82/92/937748292.db2.gz KSKNIOXKMWRIBP-UWVGGRQHSA-N 1 0 265.313 1.722 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CC[NH+](C2CCCCC2)CC1 ZINC001120023689 937774868 /nfs/dbraw/zinc/77/48/68/937774868.db2.gz BSQIOISTNBXWRK-UHFFFAOYSA-N 1 0 293.371 1.783 20 5 CDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccoc1 ZINC001123514829 936174494 /nfs/dbraw/zinc/17/44/94/936174494.db2.gz GLZGRXTUQQLCOC-UHFFFAOYSA-N 1 0 289.291 1.707 20 5 CDBDRO CC1(C)CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC001122162804 937909879 /nfs/dbraw/zinc/90/98/79/937909879.db2.gz LEHXVPJUELZYRI-CYBMUJFWSA-N 1 0 291.351 1.723 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001122215888 937913697 /nfs/dbraw/zinc/91/36/97/937913697.db2.gz FXVWPUJRHIEUNP-NWDGAFQWSA-N 1 0 275.308 1.276 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H]([NH3+])[C@@H]1C ZINC001157731887 938537223 /nfs/dbraw/zinc/53/72/23/938537223.db2.gz GHCHTBFZTBYODM-KWQFWETISA-N 1 0 294.311 1.092 20 5 CDBDRO C[C@H]1CN(c2nccc(Cl)c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001158173762 938590645 /nfs/dbraw/zinc/59/06/45/938590645.db2.gz VPOIDGHNUKHWTQ-YUMQZZPRSA-N 1 0 270.720 1.830 20 5 CDBDRO C[N@@H+]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C2(CCCC2)C1 ZINC001158409843 938619224 /nfs/dbraw/zinc/61/92/24/938619224.db2.gz CHIKEEZZKRLYCR-UHFFFAOYSA-N 1 0 291.355 1.637 20 5 CDBDRO CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2N)C(C)(C)C1 ZINC001158561413 938636800 /nfs/dbraw/zinc/63/68/00/938636800.db2.gz CTIXDXKQKCALFG-UHFFFAOYSA-N 1 0 279.344 1.493 20 5 CDBDRO Cc1nc(Cl)nc(NC[C@@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC001160144357 938770857 /nfs/dbraw/zinc/77/08/57/938770857.db2.gz CDXBEAZFCNRRKC-QMMMGPOBSA-N 1 0 285.735 1.901 20 5 CDBDRO COc1nc(N[C@H]2CC[N@@H+](C3CCC3)C2)ncc1[N+](=O)[O-] ZINC001161175068 938877314 /nfs/dbraw/zinc/87/73/14/938877314.db2.gz AMBUDOCDAZBGTE-VIFPVBQESA-N 1 0 293.327 1.432 20 5 CDBDRO C[NH+](C)CCNc1cc([N+](=O)[O-])cc(Br)n1 ZINC001161668843 938918818 /nfs/dbraw/zinc/91/88/18/938918818.db2.gz RHXGLJPXIOGBDI-UHFFFAOYSA-N 1 0 289.133 1.726 20 5 CDBDRO Cc1c(C)c(NC[C@H]2C[NH2+]CC(C)(C)O2)ncc1[N+](=O)[O-] ZINC001161956915 938948420 /nfs/dbraw/zinc/94/84/20/938948420.db2.gz YPLKMVGWSRIRHW-LLVKDONJSA-N 1 0 294.355 1.786 20 5 CDBDRO [NH3+]Cc1nc2cnccc2n1-c1ncc(F)cc1[N+](=O)[O-] ZINC001162215098 938962455 /nfs/dbraw/zinc/96/24/55/938962455.db2.gz PERCTYPQOYMJNV-UHFFFAOYSA-N 1 0 288.242 1.322 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1NCc1ncon1)C[NH2+]C2 ZINC001162282767 938971361 /nfs/dbraw/zinc/97/13/61/938971361.db2.gz RKBPQOZXDCXQSA-UHFFFAOYSA-N 1 0 261.241 1.193 20 5 CDBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1ncc([N+](=O)[O-])cn1 ZINC001162760252 939134126 /nfs/dbraw/zinc/13/41/26/939134126.db2.gz OFHVZGUGMCEBPF-MRVPVSSYSA-N 1 0 284.279 1.743 20 5 CDBDRO Cc1cnc(N[C@H]2COCCC23C[NH2+]C3)cc1[N+](=O)[O-] ZINC001163073313 939190330 /nfs/dbraw/zinc/19/03/30/939190330.db2.gz NAXWMOZIKHKVRY-NSHDSACASA-N 1 0 278.312 1.089 20 5 CDBDRO O=[N+]([O-])c1ncccc1NCc1noc2c1C[NH2+]CC2 ZINC001163132171 939208930 /nfs/dbraw/zinc/20/89/30/939208930.db2.gz WXXWCZIMUPPCLH-UHFFFAOYSA-N 1 0 275.268 1.236 20 5 CDBDRO Cc1c(NC[C@@]23C[NH2+][C@@H](CO2)C3)cc(F)cc1[N+](=O)[O-] ZINC001163196477 939223584 /nfs/dbraw/zinc/22/35/84/939223584.db2.gz FHKVMFHJXDBNND-ZWNOBZJWSA-N 1 0 281.287 1.585 20 5 CDBDRO CN(CC[NH+](C)C)c1cc(Cl)ncc1[N+](=O)[O-] ZINC001163590277 939290179 /nfs/dbraw/zinc/29/01/79/939290179.db2.gz YFKOFDJIKDBVTE-UHFFFAOYSA-N 1 0 258.709 1.641 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC(F)(C3CC3)C2)nc1C1C[NH2+]C1 ZINC001163972199 939366851 /nfs/dbraw/zinc/36/68/51/939366851.db2.gz GVJQHFJPTYZQMY-UHFFFAOYSA-N 1 0 293.302 1.010 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001163980589 939369641 /nfs/dbraw/zinc/36/96/41/939369641.db2.gz ZKQJAVGVVABXOE-UHFFFAOYSA-N 1 0 287.323 1.821 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1N1CC[C@H]([NH3+])C1 ZINC001164289128 939447679 /nfs/dbraw/zinc/44/76/79/939447679.db2.gz VIEZEOWKVPORPB-ZETCQYMHSA-N 1 0 299.714 1.572 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)cc1-n1cnc2c1C[NH2+]CC2 ZINC001164310656 939451340 /nfs/dbraw/zinc/45/13/40/939451340.db2.gz ZAYZBSSVNZMORX-UHFFFAOYSA-N 1 0 279.687 1.475 20 5 CDBDRO CC[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])c(OC)n2)CC1 ZINC001165067225 939506320 /nfs/dbraw/zinc/50/63/20/939506320.db2.gz DFWQTTMCHCQJOP-UHFFFAOYSA-N 1 0 294.355 1.919 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC[C@@H]4[NH2+]C[C@@H]43)c21 ZINC001165392606 939557546 /nfs/dbraw/zinc/55/75/46/939557546.db2.gz CLYXPYVYCHTXPH-CABZTGNLSA-N 1 0 285.307 1.479 20 5 CDBDRO [NH3+][C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1(F)F ZINC001166961204 939661470 /nfs/dbraw/zinc/66/14/70/939661470.db2.gz XDQVUKMNZWLVPX-MRVPVSSYSA-N 1 0 292.673 1.816 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(NCC[C@H]2CCC[NH2+]2)n1 ZINC000166909456 940671111 /nfs/dbraw/zinc/67/11/11/940671111.db2.gz MKAARCZCDCZJCJ-SECBINFHSA-N 1 0 266.301 1.552 20 5 CDBDRO COc1cccc(CO[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001223808535 941700153 /nfs/dbraw/zinc/70/01/53/941700153.db2.gz CAWMGZFYTYBDFV-NSHDSACASA-N 1 0 266.297 1.824 20 5 CDBDRO CCOC(=O)N1CCC(OCC[N+](C)(C)C)CC1 ZINC001224775707 941790122 /nfs/dbraw/zinc/79/01/22/941790122.db2.gz NAYQTPHDNDNBFR-UHFFFAOYSA-N 1 0 259.370 1.330 20 5 CDBDRO C[C@@H]1[C@@H](OCC[N+](C)(C)C)CN1C(=O)OC(C)(C)C ZINC001224775702 941790102 /nfs/dbraw/zinc/79/01/02/941790102.db2.gz MZBODJQIXAFDKD-NEPJUHHUSA-N 1 0 273.397 1.717 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2[nH]ccc2c1 ZINC001225270124 941835812 /nfs/dbraw/zinc/83/58/12/941835812.db2.gz QLXNHWMZVFHKOJ-GFCCVEGCSA-N 1 0 277.344 1.531 20 5 CDBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ncccc1[N+](=O)[O-])C2 ZINC001225592886 941886068 /nfs/dbraw/zinc/88/60/68/941886068.db2.gz JJVSBFOPXWJHIV-JGPRNRPPSA-N 1 0 263.297 1.994 20 5 CDBDRO CC(=O)Nc1ccccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001226051990 941945426 /nfs/dbraw/zinc/94/54/26/941945426.db2.gz JDNOUMLBWCJFFL-GFCCVEGCSA-O 1 0 295.359 1.008 20 5 CDBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncc([N+](=O)[O-])cn1)C2 ZINC001226730364 942058891 /nfs/dbraw/zinc/05/88/91/942058891.db2.gz DQHZRPDJXFZFCI-JZYVYDRUSA-N 1 0 264.285 1.389 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2[nH]c(=O)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001227089855 942130169 /nfs/dbraw/zinc/13/01/69/942130169.db2.gz AYWLFEIBHYXYAO-SECBINFHSA-N 1 0 290.279 1.327 20 5 CDBDRO C[C@@H](C[NH+](C)C)Oc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001227746482 942217272 /nfs/dbraw/zinc/21/72/72/942217272.db2.gz SPZJRIUEDXJQJZ-QMMMGPOBSA-N 1 0 264.285 1.800 20 5 CDBDRO Cc1ccc(O)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228066329 942265512 /nfs/dbraw/zinc/26/55/12/942265512.db2.gz IDHCRJWUDRSLIB-GFCCVEGCSA-O 1 0 268.333 1.063 20 5 CDBDRO CC(=O)c1c(O[C@@H](C)C[N+](C)(C)C)cc(C)oc1=O ZINC001229186809 942430187 /nfs/dbraw/zinc/43/01/87/942430187.db2.gz MCYZNYIQXNUKIB-JTQLQIEISA-N 1 0 268.333 1.624 20 5 CDBDRO CN1CCO[C@@H](COc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC001230314784 942606523 /nfs/dbraw/zinc/60/65/23/942606523.db2.gz HACCFIPTHRCYIT-SECBINFHSA-N 1 0 297.267 1.212 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC001231075637 942776267 /nfs/dbraw/zinc/77/62/67/942776267.db2.gz DDZKJMWAYDNOAZ-SNVBAGLBSA-N 1 0 262.337 1.340 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOc2ccnc([N+](=O)[O-])c2)C1 ZINC001233859282 943674111 /nfs/dbraw/zinc/67/41/11/943674111.db2.gz LFAUSJTYANXRRK-LLVKDONJSA-N 1 0 267.285 1.089 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2CC[C@@H](CC[NH3+])C2)c1[N+](=O)[O-] ZINC001263213354 943790533 /nfs/dbraw/zinc/79/05/33/943790533.db2.gz SZLVFYNPHJCLIW-SNVBAGLBSA-N 1 0 295.314 1.853 20 5 CDBDRO CC1([NH3+])CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254472765 947451183 /nfs/dbraw/zinc/45/11/83/947451183.db2.gz MVWYTRDHNBGZPK-UHFFFAOYSA-N 1 0 290.367 1.597 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(CO)CCOCC1 ZINC001254537077 947515606 /nfs/dbraw/zinc/51/56/06/947515606.db2.gz WSGTXRWEPAIJRT-GFCCVEGCSA-N 1 0 294.351 1.657 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)CF ZINC001254546989 947518547 /nfs/dbraw/zinc/51/85/47/947518547.db2.gz BHJJNWSPTDOCFJ-MWLCHTKSSA-N 1 0 256.277 1.446 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCOC[C@@H](O)C1 ZINC001254552406 947522790 /nfs/dbraw/zinc/52/27/90/947522790.db2.gz LHLWOYVOVHBEKV-YPMHNXCESA-N 1 0 280.324 1.219 20 5 CDBDRO Cn1nccc1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254564857 947526924 /nfs/dbraw/zinc/52/69/24/947526924.db2.gz AYJSOCMOSZRHLJ-LBPRGKRZSA-N 1 0 272.308 1.585 20 5 CDBDRO CN1C[C@H](C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1=O ZINC001254575600 947535269 /nfs/dbraw/zinc/53/52/69/947535269.db2.gz RGUNSHAUCYNMLW-GWCFXTLKSA-N 1 0 289.335 1.130 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCc1cnccn1)C2 ZINC001254576518 947536286 /nfs/dbraw/zinc/53/62/86/947536286.db2.gz WTPGKVCTNFDKRK-AWEZNQCLSA-N 1 0 284.319 1.684 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@H](O)C(F)(F)F)C2 ZINC001254579111 947537396 /nfs/dbraw/zinc/53/73/96/947537396.db2.gz PRYNXRFWKTUPJT-KOLCDFICSA-N 1 0 290.241 1.575 20 5 CDBDRO CN1CCC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC001254581246 947537770 /nfs/dbraw/zinc/53/77/70/947537770.db2.gz MYPLECTWZGIVJC-JSGCOSHPSA-N 1 0 289.335 1.272 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](n1ncc3c1CC[NH2+]C3)C2 ZINC001254595023 947547793 /nfs/dbraw/zinc/54/77/93/947547793.db2.gz UWCADAQTNYDCQW-CQSZACIVSA-N 1 0 284.319 1.777 20 5 CDBDRO CN(CCC[NH+](C)C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601086 947549350 /nfs/dbraw/zinc/54/93/50/947549350.db2.gz YYMKKFKMNYKCJY-OAHLLOKOSA-N 1 0 277.368 1.946 20 5 CDBDRO Cn1ncc2c1C[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254606842 947551898 /nfs/dbraw/zinc/55/18/98/947551898.db2.gz IIWXSJFUSOIJQC-OAHLLOKOSA-N 1 0 298.346 1.854 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@@]13CCOC3)C2 ZINC001254610524 947555516 /nfs/dbraw/zinc/55/55/16/947555516.db2.gz KLMCZAXJRWGMGT-GJZGRUSLSA-N 1 0 274.320 1.927 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@H](F)C[C@H]([NH3+])C1 ZINC001246574756 948298045 /nfs/dbraw/zinc/29/80/45/948298045.db2.gz KMTXJALEQZACLB-RTXFEEFZSA-N 1 0 281.331 1.897 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246870204 948495342 /nfs/dbraw/zinc/49/53/42/948495342.db2.gz NWUNPXMJTWQGBJ-OSMZGAPFSA-N 1 0 261.325 1.559 20 5 CDBDRO CC(C)([NH3+])CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001325371230 953867840 /nfs/dbraw/zinc/86/78/40/953867840.db2.gz KAGCVEMHVSJTIP-UHFFFAOYSA-N 1 0 278.312 1.357 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327960789 955132117 /nfs/dbraw/zinc/13/21/17/955132117.db2.gz LYZHKWUFDBJSAU-VIFPVBQESA-N 1 0 263.297 1.293 20 5 CDBDRO COC1CC(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])C1 ZINC001308747102 956571008 /nfs/dbraw/zinc/57/10/08/956571008.db2.gz MUQAYFKKBQARFP-UHFFFAOYSA-N 1 0 279.340 1.785 20 5 CDBDRO O=C(NCC[NH2+]C1CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331456861 957073791 /nfs/dbraw/zinc/07/37/91/957073791.db2.gz SNPVOYDMGUAYHS-UHFFFAOYSA-N 1 0 290.323 1.372 20 5 CDBDRO C[N@@H+]1CC[C@@H](C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001318731406 958249971 /nfs/dbraw/zinc/24/99/71/958249971.db2.gz OOUQTIPGILMZCI-LLVKDONJSA-N 1 0 275.308 1.389 20 5 CDBDRO CCN(CC)C(=O)CCC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC001335745959 960004502 /nfs/dbraw/zinc/00/45/02/960004502.db2.gz RBRVSOWHTBEVLL-UHFFFAOYSA-N 1 0 285.388 1.624 20 5 CDBDRO CCOCC[C@H](O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001335891306 960082903 /nfs/dbraw/zinc/08/29/03/960082903.db2.gz MTPHOLIIJDVWQN-LBPRGKRZSA-N 1 0 268.313 1.472 20 5 CDBDRO CSC[C@@H](O)C[NH2+]CCNc1ccccc1[N+](=O)[O-] ZINC001335933024 960107619 /nfs/dbraw/zinc/10/76/19/960107619.db2.gz CEKOZFXISNVSOW-JTQLQIEISA-N 1 0 285.369 1.320 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(c2cc(N)c([N+](=O)[O-])cn2)C[C@H]1C ZINC001337093125 960928434 /nfs/dbraw/zinc/92/84/34/960928434.db2.gz XSOVIFUDFJKLQC-NXEZZACHSA-N 1 0 279.344 1.491 20 5 CDBDRO Nc1cc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ncc1[N+](=O)[O-] ZINC001337804189 961432286 /nfs/dbraw/zinc/43/22/86/961432286.db2.gz AKBYXOITGNCIRL-QWRGUYRKSA-N 1 0 277.328 1.611 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1cc(N)c([N+](=O)[O-])cn1 ZINC001339751662 962515749 /nfs/dbraw/zinc/51/57/49/962515749.db2.gz CSDJIHSWZRJQOD-VIFPVBQESA-N 1 0 265.317 1.102 20 5 CDBDRO Cc1cc(C(=O)N2CCC3(C[NH2+]C3)CC2)cc([N+](=O)[O-])c1 ZINC001340575188 963008172 /nfs/dbraw/zinc/00/81/72/963008172.db2.gz ZTKCOTNRLLUJDB-UHFFFAOYSA-N 1 0 289.335 1.729 20 5 CDBDRO C[C@H](CNC(=O)CC[NH2+]C1CC1)c1ccccc1[N+](=O)[O-] ZINC001341429568 963411861 /nfs/dbraw/zinc/41/18/61/963411861.db2.gz TXUVULWLFSDFTL-LLVKDONJSA-N 1 0 291.351 1.957 20 5 CDBDRO CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@H]1CCC[NH2+]C1 ZINC001343715364 964114875 /nfs/dbraw/zinc/11/48/75/964114875.db2.gz CIRQTMZRHSLRMY-NSHDSACASA-N 1 0 292.339 1.512 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001346333120 965051323 /nfs/dbraw/zinc/05/13/23/965051323.db2.gz PCVKNSMUJFAXDV-IINYFYTJSA-N 1 0 289.335 1.955 20 5 CDBDRO Cc1c(C[NH2+]CCN2CCOC[C@H]2C)cccc1[N+](=O)[O-] ZINC001349586883 966394629 /nfs/dbraw/zinc/39/46/29/966394629.db2.gz VEOCASWJRLBNDN-GFCCVEGCSA-N 1 0 293.367 1.714 20 5 CDBDRO Cc1nc(N2CC[C@@H]([NH+](C)C)[C@@H]2C)ncc1[N+](=O)[O-] ZINC001350488930 966679840 /nfs/dbraw/zinc/67/98/40/966679840.db2.gz ZONMEDQNQLTQHR-VHSXEESVSA-N 1 0 265.317 1.222 20 5 CDBDRO CO[C@]1(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCOC1 ZINC001352840164 967511636 /nfs/dbraw/zinc/51/16/36/967511636.db2.gz VVZXWVYLSPZPRU-HNNXBMFYSA-N 1 0 292.335 1.758 20 5 CDBDRO O=C(N[C@H]1C[NH+]2CCC1CC2)c1csc([N+](=O)[O-])c1 ZINC001353788524 968234050 /nfs/dbraw/zinc/23/40/50/968234050.db2.gz KBMZHGVGRFGXQV-JTQLQIEISA-N 1 0 281.337 1.480 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001355093062 969044443 /nfs/dbraw/zinc/04/44/43/969044443.db2.gz DBRXAXVGJYTIJI-QWHCGFSZSA-N 1 0 289.335 1.205 20 5 CDBDRO Cc1cc(NC(=O)[C@@H]2CC[NH2+][C@H]2C)cc([N+](=O)[O-])c1 ZINC001356538723 969421048 /nfs/dbraw/zinc/42/10/48/969421048.db2.gz WZMJUKRXMUKKNI-JOYOIKCWSA-N 1 0 263.297 1.840 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCC(F)F)c1 ZINC001356585958 969438553 /nfs/dbraw/zinc/43/85/53/969438553.db2.gz OXAWWLCEBPHACB-JTQLQIEISA-N 1 0 290.266 1.579 20 5 CDBDRO CN(CCC[NH3+])C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001521844467 970365334 /nfs/dbraw/zinc/36/53/34/970365334.db2.gz WVRNMTDXEFRMFF-CHWSQXEVSA-N 1 0 277.324 1.506 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001522744306 970545768 /nfs/dbraw/zinc/54/57/68/970545768.db2.gz MVLATJHTKAPNMH-BXKDBHETSA-N 1 0 265.313 1.770 20 5 CDBDRO C[C@@H](NC(=O)C[C@H]1COCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001522745583 970547743 /nfs/dbraw/zinc/54/77/43/970547743.db2.gz VUFRAOKHICFTDG-PWSUYJOCSA-N 1 0 293.323 1.151 20 5 CDBDRO CC[NH2+]CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001522744919 970548182 /nfs/dbraw/zinc/54/81/82/970548182.db2.gz RLOJPOUPZQLGKU-VIFPVBQESA-N 1 0 251.286 1.382 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001523056102 970641097 /nfs/dbraw/zinc/64/10/97/970641097.db2.gz GSBKCBDCKWBMPE-QWHCGFSZSA-N 1 0 289.335 1.205 20 5 CDBDRO C[C@H]1CC[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C[NH2+]1 ZINC001576659259 1171481411 /nfs/dbraw/zinc/48/14/11/1171481411.db2.gz ICHNBQCWCOMTAG-GXSJLCMTSA-N 1 0 295.314 1.533 20 5 CDBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000589536458 342508587 /nfs/dbraw/zinc/50/85/87/342508587.db2.gz VNWNWHZRZPTBFW-VIFPVBQESA-N 1 0 283.332 1.168 20 5 CDBDRO C[NH+]1CCC(CC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000589833861 342515126 /nfs/dbraw/zinc/51/51/26/342515126.db2.gz VYCYRTQKKYLZCN-UHFFFAOYSA-N 1 0 291.351 1.943 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000320606886 341993558 /nfs/dbraw/zinc/99/35/58/341993558.db2.gz XUNWLAYFAFQPIP-DTWKUNHWSA-N 1 0 251.286 1.450 20 5 CDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000314490237 342531338 /nfs/dbraw/zinc/53/13/38/342531338.db2.gz INZKJWBKDWBHEJ-ONGXEEELSA-N 1 0 292.339 1.342 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601327057 342554095 /nfs/dbraw/zinc/55/40/95/342554095.db2.gz LPBUUFGOAMZADB-QWRGUYRKSA-N 1 0 267.716 1.794 20 5 CDBDRO O=[N+]([O-])c1ccc(CCN2CCC([NH2+]CCO)CC2)cc1 ZINC000601328782 342554474 /nfs/dbraw/zinc/55/44/74/342554474.db2.gz ZADQYDKQDGYNPV-UHFFFAOYSA-N 1 0 293.367 1.184 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000601330040 342554741 /nfs/dbraw/zinc/55/47/41/342554741.db2.gz PHCPGRNLKCMZBK-WDEREUQCSA-N 1 0 265.313 1.395 20 5 CDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000070170127 361738954 /nfs/dbraw/zinc/73/89/54/361738954.db2.gz OBSHLDFCAQTSIY-NSHDSACASA-N 1 0 277.324 1.796 20 5 CDBDRO Cn1c(C(=O)N2CCC(CC[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000070187605 361771535 /nfs/dbraw/zinc/77/15/35/361771535.db2.gz AUGJSGGSPZAQBW-UHFFFAOYSA-N 1 0 280.328 1.134 20 5 CDBDRO C[C@@H](C(=O)NC[C@H](C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000591085289 342616935 /nfs/dbraw/zinc/61/69/35/342616935.db2.gz XJSKLKBSMRGKFE-WDEREUQCSA-N 1 0 279.340 1.765 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3CC[NH2+][C@H]3C2)c(F)c1 ZINC000591438679 342631986 /nfs/dbraw/zinc/63/19/86/342631986.db2.gz PJLSUGDIONGKFY-KWQFWETISA-N 1 0 266.276 1.317 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000591298993 342624538 /nfs/dbraw/zinc/62/45/38/342624538.db2.gz VFRUEBVHICWEOS-CABZTGNLSA-N 1 0 296.302 1.759 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591448495 342632871 /nfs/dbraw/zinc/63/28/71/342632871.db2.gz JICOBQYZYLZKFQ-GWCFXTLKSA-N 1 0 279.315 1.918 20 5 CDBDRO CSC[C@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000591744597 342645201 /nfs/dbraw/zinc/64/52/01/342645201.db2.gz IOWHBRRDRJVKRR-LLVKDONJSA-N 1 0 270.354 1.451 20 5 CDBDRO CC[NH2+]CCCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000592290222 342683675 /nfs/dbraw/zinc/68/36/75/342683675.db2.gz ZJUPSURJWBYSOB-UHFFFAOYSA-N 1 0 279.340 1.562 20 5 CDBDRO [NH3+]C1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000592426360 342690300 /nfs/dbraw/zinc/69/03/00/342690300.db2.gz YJOVVPMPJIOGIQ-UHFFFAOYSA-N 1 0 293.323 1.289 20 5 CDBDRO CC(C)[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000592485193 342695696 /nfs/dbraw/zinc/69/56/96/342695696.db2.gz QVZDMYWYFBZEJW-OAHLLOKOSA-N 1 0 293.367 1.903 20 5 CDBDRO C[C@@H]1[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000592748595 342721475 /nfs/dbraw/zinc/72/14/75/342721475.db2.gz MGKRLFHTBDFVIS-ZWNOBZJWSA-N 1 0 289.335 1.824 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)CCO ZINC000593109936 342769470 /nfs/dbraw/zinc/76/94/70/342769470.db2.gz OJVVZAUEIASADT-SNVBAGLBSA-N 1 0 268.313 1.806 20 5 CDBDRO C[NH+]1CCC(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593391388 342794125 /nfs/dbraw/zinc/79/41/25/342794125.db2.gz LSRSSOPGSPNIAX-UHFFFAOYSA-N 1 0 295.314 1.487 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(NC(N)=O)CC1 ZINC000081541059 342214972 /nfs/dbraw/zinc/21/49/72/342214972.db2.gz KPEQNQSJZCWGQU-SNVBAGLBSA-N 1 0 292.339 1.789 20 5 CDBDRO Cc1c(NC(=O)[C@H](N)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000593902958 342853906 /nfs/dbraw/zinc/85/39/06/342853906.db2.gz LWFKXDGVIKRNTA-SNVBAGLBSA-N 1 0 280.328 1.121 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN(CC)CC[NH3+] ZINC000600715060 342246469 /nfs/dbraw/zinc/24/64/69/342246469.db2.gz DRMQYLVFOTTXGA-UHFFFAOYSA-N 1 0 267.329 1.774 20 5 CDBDRO C[NH2+]C1(CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CCC1 ZINC000600824731 342251583 /nfs/dbraw/zinc/25/15/83/342251583.db2.gz OAUJHNWEDUDPOF-UHFFFAOYSA-N 1 0 295.343 1.313 20 5 CDBDRO CC(C)Oc1nc(N2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000594546958 342916074 /nfs/dbraw/zinc/91/60/74/342916074.db2.gz SRSJDPJKPSQCBM-QWRGUYRKSA-N 1 0 292.339 1.433 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H](O)C1 ZINC000595000927 342995246 /nfs/dbraw/zinc/99/52/46/342995246.db2.gz NIWULRUYNAVNBP-UMSPYCQHSA-N 1 0 266.297 1.606 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN1CCC1 ZINC000595036659 342998031 /nfs/dbraw/zinc/99/80/31/342998031.db2.gz UOVMVXVWRRUFJQ-LLVKDONJSA-N 1 0 279.340 1.960 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595230033 343009710 /nfs/dbraw/zinc/00/97/10/343009710.db2.gz LJXYAMZKWDCMNO-QMMMGPOBSA-N 1 0 252.274 1.324 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000595231035 343009725 /nfs/dbraw/zinc/00/97/25/343009725.db2.gz YSPQJWHJCHHZRU-SECBINFHSA-N 1 0 266.301 1.633 20 5 CDBDRO CC(C)[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075502786 342311209 /nfs/dbraw/zinc/31/12/09/342311209.db2.gz KESJDRCTHQIIHY-UHFFFAOYSA-N 1 0 291.351 1.690 20 5 CDBDRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595435494 343060231 /nfs/dbraw/zinc/06/02/31/343060231.db2.gz GNXXWGZMEYNZIC-RYUDHWBXSA-N 1 0 295.314 1.868 20 5 CDBDRO C[N@H+](CCc1c[nH]nn1)CCc1cccc([N+](=O)[O-])c1 ZINC000595477507 343064639 /nfs/dbraw/zinc/06/46/39/343064639.db2.gz UYGZIUPBZCVRAS-UHFFFAOYSA-N 1 0 275.312 1.430 20 5 CDBDRO Cc1noc(CNC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000595528776 343090102 /nfs/dbraw/zinc/09/01/02/343090102.db2.gz FDLQISWRXQQDSR-UHFFFAOYSA-N 1 0 256.306 1.321 20 5 CDBDRO Cc1noc(C[N@H+]2CCCC[C@H]2[C@H](C)CO)c1[N+](=O)[O-] ZINC000595671370 343127804 /nfs/dbraw/zinc/12/78/04/343127804.db2.gz FBFFFOORTGOOEY-KOLCDFICSA-N 1 0 283.328 1.874 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(O)(CO)CC1 ZINC000595736509 343135619 /nfs/dbraw/zinc/13/56/19/343135619.db2.gz MDKBHKAXXOGQOE-NSHDSACASA-N 1 0 280.324 1.475 20 5 CDBDRO CC(C)CC1([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000595832659 343169424 /nfs/dbraw/zinc/16/94/24/343169424.db2.gz XZJQMUVSFHLKFK-GFCCVEGCSA-N 1 0 282.344 1.321 20 5 CDBDRO C[C@@H]1C[C@H](C)N(c2ccc(N)c([N+](=O)[O-])n2)C[C@H]1C[NH3+] ZINC000596014435 343218647 /nfs/dbraw/zinc/21/86/47/343218647.db2.gz PZEDZFJFRUJHKD-KXUCPTDWSA-N 1 0 279.344 1.382 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000595919637 343191753 /nfs/dbraw/zinc/19/17/53/343191753.db2.gz LIUYFEKWHQPWTK-SNVBAGLBSA-N 1 0 281.312 1.218 20 5 CDBDRO CC1CC[NH+](CCNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596076752 343226901 /nfs/dbraw/zinc/22/69/01/343226901.db2.gz CQRISQQCWSSRLY-UHFFFAOYSA-N 1 0 280.328 1.839 20 5 CDBDRO C[NH+](C)[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000596114718 343231272 /nfs/dbraw/zinc/23/12/72/343231272.db2.gz NMSSKRIIHKNAGF-SNVBAGLBSA-N 1 0 266.301 1.448 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596093139 343234641 /nfs/dbraw/zinc/23/46/41/343234641.db2.gz SJGLFWYMXYMDHZ-JTQLQIEISA-N 1 0 280.328 1.838 20 5 CDBDRO C[C@H]1C[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000596145126 343243198 /nfs/dbraw/zinc/24/31/98/343243198.db2.gz GUYSTPGVPSNPIL-DTWKUNHWSA-N 1 0 266.301 1.590 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000596122225 343248574 /nfs/dbraw/zinc/24/85/74/343248574.db2.gz MDZPTKIYIAQRHG-ZDUSSCGKSA-N 1 0 294.311 1.477 20 5 CDBDRO C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596061739 343223455 /nfs/dbraw/zinc/22/34/55/343223455.db2.gz JLNOBRJLYJNBJQ-UHFFFAOYSA-N 1 0 278.312 1.200 20 5 CDBDRO C[NH+](C)CC1CN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000596247124 343286560 /nfs/dbraw/zinc/28/65/60/343286560.db2.gz KUNVBZDJLXZDAJ-UHFFFAOYSA-N 1 0 270.720 1.641 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCC[C@H]2O)c1 ZINC000051993397 362169916 /nfs/dbraw/zinc/16/99/16/362169916.db2.gz AVFXBGRIQYLYBW-QWHCGFSZSA-N 1 0 250.298 1.988 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000142289589 342434731 /nfs/dbraw/zinc/43/47/31/342434731.db2.gz MOAUCHSXTREYKQ-SNVBAGLBSA-N 1 0 279.296 1.498 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000209370010 342438575 /nfs/dbraw/zinc/43/85/75/342438575.db2.gz RMUQBUGEZVQMGO-SFYZADRCSA-N 1 0 267.310 1.090 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H]1C ZINC000535741880 282276457 /nfs/dbraw/zinc/27/64/57/282276457.db2.gz NHNHFYLZBFIRIK-QWRGUYRKSA-N 1 0 294.355 1.488 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H]1C ZINC000535741881 282276705 /nfs/dbraw/zinc/27/67/05/282276705.db2.gz NHNHFYLZBFIRIK-WDEREUQCSA-N 1 0 294.355 1.488 20 5 CDBDRO C[C@@H](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000597992413 343682555 /nfs/dbraw/zinc/68/25/55/343682555.db2.gz KHHXDBYHIFJADG-VIFPVBQESA-N 1 0 283.303 1.804 20 5 CDBDRO CNC(=O)[C@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000291785151 529917513 /nfs/dbraw/zinc/91/75/13/529917513.db2.gz ARFPVKCKBWNUPC-QWRGUYRKSA-N 1 0 279.340 1.640 20 5 CDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2 ZINC000598668243 343871212 /nfs/dbraw/zinc/87/12/12/343871212.db2.gz QZOXYQWFTRLFSR-WFASDCNBSA-N 1 0 289.335 1.477 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[C@@H](O)C2)c(F)c1 ZINC000599008276 343939032 /nfs/dbraw/zinc/93/90/32/343939032.db2.gz XVSWEHHOSPLRJC-DKTWLAJQSA-N 1 0 254.261 1.594 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915204 343919604 /nfs/dbraw/zinc/91/96/04/343919604.db2.gz KNJKESHFNQQIMU-MRVPVSSYSA-N 1 0 282.275 1.607 20 5 CDBDRO C[C@H]([NH2+]CCN1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000599094617 343953309 /nfs/dbraw/zinc/95/33/09/343953309.db2.gz WYXZQIZQMPABPO-FZMZJTMJSA-N 1 0 279.340 1.312 20 5 CDBDRO COC[C@H](O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000231607320 362318558 /nfs/dbraw/zinc/31/85/58/362318558.db2.gz NKANSVAHPHKPHN-GFCCVEGCSA-N 1 0 254.286 1.082 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000602071163 344332682 /nfs/dbraw/zinc/33/26/82/344332682.db2.gz CBAGYJQTFWJSEL-ZDUSSCGKSA-N 1 0 277.324 1.695 20 5 CDBDRO Cc1c(CNC(=O)[C@@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000602149575 344351895 /nfs/dbraw/zinc/35/18/95/344351895.db2.gz UOSUZPZADAKOOJ-SNVBAGLBSA-N 1 0 265.313 1.470 20 5 CDBDRO C[C@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000602161462 344364031 /nfs/dbraw/zinc/36/40/31/344364031.db2.gz RLGWWSOWSSTRAO-SNVBAGLBSA-N 1 0 279.340 1.896 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602428451 344422335 /nfs/dbraw/zinc/42/23/35/344422335.db2.gz NSJCUJWVTQIVCD-VIFPVBQESA-N 1 0 281.287 1.558 20 5 CDBDRO Cc1c(CC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000602597061 344503183 /nfs/dbraw/zinc/50/31/83/344503183.db2.gz TXDCBIUAIVTRES-CABZTGNLSA-N 1 0 277.324 1.394 20 5 CDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000602531664 344456266 /nfs/dbraw/zinc/45/62/66/344456266.db2.gz WISZFXBKGRVUMS-AWEZNQCLSA-N 1 0 291.351 1.594 20 5 CDBDRO CO[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000602638035 344510584 /nfs/dbraw/zinc/51/05/84/344510584.db2.gz QRBBMVGGXVRYKL-CYBMUJFWSA-N 1 0 290.323 1.986 20 5 CDBDRO CC[N@H+](CC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000131418957 362404262 /nfs/dbraw/zinc/40/42/62/362404262.db2.gz PCJHDYZSFVXKKV-UHFFFAOYSA-N 1 0 291.351 1.738 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCc1ccncc1 ZINC000602795687 344586544 /nfs/dbraw/zinc/58/65/44/344586544.db2.gz CFNYWKFVSWXREF-UHFFFAOYSA-N 1 0 289.339 1.669 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000602798624 344589460 /nfs/dbraw/zinc/58/94/60/344589460.db2.gz QXSWDFSSAZWXAP-CMPLNLGQSA-N 1 0 282.344 1.193 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CC1=CCCOC1 ZINC000602886730 344635209 /nfs/dbraw/zinc/63/52/09/344635209.db2.gz DENFBTXONDAKIQ-UHFFFAOYSA-N 1 0 280.328 1.378 20 5 CDBDRO COCCC[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000066379027 344716183 /nfs/dbraw/zinc/71/61/83/344716183.db2.gz RURGXATXKNXREB-CYBMUJFWSA-N 1 0 298.339 1.303 20 5 CDBDRO O=[N+]([O-])c1sccc1NC[C@H]1CSCC[NH2+]1 ZINC000603419897 344799682 /nfs/dbraw/zinc/79/96/82/344799682.db2.gz QPYFNSKYEVZJSG-ZETCQYMHSA-N 1 0 259.356 1.773 20 5 CDBDRO CCc1nn(C)c(NC[C@H]2CSCC[NH2+]2)c1[N+](=O)[O-] ZINC000603419408 344807716 /nfs/dbraw/zinc/80/77/16/344807716.db2.gz OACJYFOMKAFVBW-QMMMGPOBSA-N 1 0 285.373 1.008 20 5 CDBDRO CCc1nn(C)c(NC[C@@H]2CSCC[NH2+]2)c1[N+](=O)[O-] ZINC000603419407 344807827 /nfs/dbraw/zinc/80/78/27/344807827.db2.gz OACJYFOMKAFVBW-MRVPVSSYSA-N 1 0 285.373 1.008 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](O)CC2)cc1 ZINC000292904074 362517775 /nfs/dbraw/zinc/51/77/75/362517775.db2.gz AREMZQDUAICMCD-ZDUSSCGKSA-N 1 0 280.324 1.820 20 5 CDBDRO Nc1ccc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000293358614 362547149 /nfs/dbraw/zinc/54/71/49/362547149.db2.gz KHHJKEFSWOVSDC-PWSUYJOCSA-N 1 0 290.323 1.001 20 5 CDBDRO Nc1c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000275776074 345055785 /nfs/dbraw/zinc/05/57/85/345055785.db2.gz PABRCZPHWGKUCC-IUCAKERBSA-N 1 0 278.312 1.177 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](CO)C2)cc1 ZINC000265819164 362608118 /nfs/dbraw/zinc/60/81/18/362608118.db2.gz KNRVCKDEYWRFKS-GFCCVEGCSA-N 1 0 280.324 1.678 20 5 CDBDRO Cc1ccc(NCCCNC(N)=[NH2+])c([N+](=O)[O-])c1 ZINC000265836974 362619547 /nfs/dbraw/zinc/61/95/47/362619547.db2.gz ZIIBLBYHIFOOET-UHFFFAOYSA-N 1 0 251.290 1.188 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000609600308 345827568 /nfs/dbraw/zinc/82/75/68/345827568.db2.gz SXWMHXUEDOYCEM-VIFPVBQESA-N 1 0 267.285 1.212 20 5 CDBDRO C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1ccc([N+](=O)[O-])n1 ZINC000305291250 349946049 /nfs/dbraw/zinc/94/60/49/349946049.db2.gz GDRMPRXGWSWQRW-ZDUSSCGKSA-N 1 0 290.323 1.284 20 5 CDBDRO C[C@@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000610637303 346329206 /nfs/dbraw/zinc/32/92/06/346329206.db2.gz NJPKEFCGMBPIOI-JTQLQIEISA-N 1 0 279.340 1.896 20 5 CDBDRO NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000610585165 346320155 /nfs/dbraw/zinc/32/01/55/346320155.db2.gz CTTGMUVAVFSGKJ-CMPLNLGQSA-N 1 0 275.308 1.678 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(c3cccnc3[N+](=O)[O-])CC[C@@H]21 ZINC000610807977 346443880 /nfs/dbraw/zinc/44/38/80/346443880.db2.gz CTXAOSALTMJVAI-RYUDHWBXSA-N 1 0 276.340 1.910 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000057838674 347098407 /nfs/dbraw/zinc/09/84/07/347098407.db2.gz KERLIQUVGLEGES-NSHDSACASA-N 1 0 250.302 1.520 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(c2c([N+](=O)[O-])ncn2C)C[C@@H]1C ZINC000611222064 346696737 /nfs/dbraw/zinc/69/67/37/346696737.db2.gz SPGUALKHMHUFKA-UWVGGRQHSA-N 1 0 267.333 1.247 20 5 CDBDRO C[C@@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000611506673 346799409 /nfs/dbraw/zinc/79/94/09/346799409.db2.gz RSZXYBBFYAPRNJ-VIFPVBQESA-N 1 0 299.758 1.857 20 5 CDBDRO C[NH+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344441593 362778410 /nfs/dbraw/zinc/77/84/10/362778410.db2.gz PYNCXHSUQSZSKA-UHFFFAOYSA-N 1 0 255.249 1.025 20 5 CDBDRO [NH3+]C1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000230067359 140206879 /nfs/dbraw/zinc/20/68/79/140206879.db2.gz CKFJWFYUCCQSRW-UHFFFAOYSA-N 1 0 263.297 1.135 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NCC[N@H+](C)Cc1ccccc1 ZINC000053582832 347749162 /nfs/dbraw/zinc/74/91/62/347749162.db2.gz MRYOZRQVACFLAT-UHFFFAOYSA-N 1 0 289.339 1.872 20 5 CDBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000104134121 185904007 /nfs/dbraw/zinc/90/40/07/185904007.db2.gz AFZNHANUWBPKIN-MRVPVSSYSA-N 1 0 266.301 1.122 20 5 CDBDRO CC(C)(CCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000293666515 362909295 /nfs/dbraw/zinc/90/92/95/362909295.db2.gz MFJLCZNLHPEVKV-UHFFFAOYSA-N 1 0 283.303 1.981 20 5 CDBDRO O=C(NCC[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000273465144 192161776 /nfs/dbraw/zinc/16/17/76/192161776.db2.gz NNXAVKAIFITJTK-UHFFFAOYSA-N 1 0 296.302 1.951 20 5 CDBDRO Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000089091319 179698980 /nfs/dbraw/zinc/69/89/80/179698980.db2.gz VMOIXJMUNSITKX-VXGBXAGGSA-N 1 0 277.324 1.760 20 5 CDBDRO COc1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000089091437 179699376 /nfs/dbraw/zinc/69/93/76/179699376.db2.gz WRHBMPDNRKPJTN-QWRGUYRKSA-N 1 0 293.323 1.461 20 5 CDBDRO CC[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000060793228 348898011 /nfs/dbraw/zinc/89/80/11/348898011.db2.gz BUTPQSBMQZOPKG-UHFFFAOYSA-N 1 0 291.351 1.738 20 5 CDBDRO COCCC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000066379038 348981595 /nfs/dbraw/zinc/98/15/95/348981595.db2.gz VWDUENVJXDGHBW-UHFFFAOYSA-N 1 0 295.339 1.892 20 5 CDBDRO Cc1c(C(=O)NCC[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000067701852 349033480 /nfs/dbraw/zinc/03/34/80/349033480.db2.gz PBZAKRDWKSZZOA-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000067703137 349033538 /nfs/dbraw/zinc/03/35/38/349033538.db2.gz JVYZKQLIXKCMST-SNVBAGLBSA-N 1 0 275.308 1.561 20 5 CDBDRO O=C(NCC1CC[NH2+]CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111010181 349220442 /nfs/dbraw/zinc/22/04/42/349220442.db2.gz WZEZYEULUZJQKI-UHFFFAOYSA-N 1 0 297.742 1.978 20 5 CDBDRO COC[C@@H](O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090953141 180073399 /nfs/dbraw/zinc/07/33/99/180073399.db2.gz WWIHGFBXRVRQKH-GWCFXTLKSA-N 1 0 268.313 1.643 20 5 CDBDRO O=C(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)NC1CC1 ZINC000107844066 186195105 /nfs/dbraw/zinc/19/51/05/186195105.db2.gz AJPPPANPDYDMRI-UHFFFAOYSA-N 1 0 277.324 1.743 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H]1[NH2+]CCCC1(C)C ZINC000236090326 362969144 /nfs/dbraw/zinc/96/91/44/362969144.db2.gz YPLJIGGDMQDFMS-SECBINFHSA-N 1 0 267.333 1.518 20 5 CDBDRO COc1ccc(C(=O)NCC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000110796357 186325329 /nfs/dbraw/zinc/32/53/29/186325329.db2.gz TVFDJEWCCOWNHT-JTQLQIEISA-N 1 0 293.323 1.333 20 5 CDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCC[C@@H]1CC[NH2+]C1 ZINC000110795422 186325367 /nfs/dbraw/zinc/32/53/67/186325367.db2.gz IGGSGFNBRWWJAH-FYJFLYSWSA-N 1 0 289.335 1.724 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CC[NH2+]C1 ZINC000110795254 186325399 /nfs/dbraw/zinc/32/53/99/186325399.db2.gz WMCXFFCIDPTDCD-LBPRGKRZSA-N 1 0 277.324 1.253 20 5 CDBDRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000313357907 350835249 /nfs/dbraw/zinc/83/52/49/350835249.db2.gz UNFCPFVRQWKTCT-LBPRGKRZSA-N 1 0 294.311 1.176 20 5 CDBDRO Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000111263589 186380171 /nfs/dbraw/zinc/38/01/71/186380171.db2.gz KLFZOMQBMCGCHF-MWLCHTKSSA-N 1 0 263.297 1.697 20 5 CDBDRO COc1ccc(C[NH2+]CC(C)(C)CO)cc1[N+](=O)[O-] ZINC000124324778 351348453 /nfs/dbraw/zinc/34/84/53/351348453.db2.gz DHHCZPNCPYDCIH-UHFFFAOYSA-N 1 0 268.313 1.712 20 5 CDBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000036793841 363050600 /nfs/dbraw/zinc/05/06/00/363050600.db2.gz KWJOQLCDIFTDMA-SECBINFHSA-N 1 0 251.286 1.161 20 5 CDBDRO CCNC(=O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000122197254 187020210 /nfs/dbraw/zinc/02/02/10/187020210.db2.gz UOWBQIPYWJEGSO-UHFFFAOYSA-N 1 0 288.307 1.999 20 5 CDBDRO CC(C)([NH3+])CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000122283713 187024768 /nfs/dbraw/zinc/02/47/68/187024768.db2.gz OJIBTHNJYPFYAP-BQYQJAHWSA-N 1 0 263.297 1.462 20 5 CDBDRO COCCC[N@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000152516083 188024895 /nfs/dbraw/zinc/02/48/95/188024895.db2.gz FTBBUXYUZBBXKX-UHFFFAOYSA-N 1 0 295.339 1.293 20 5 CDBDRO C[C@H](C1CC1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159724053 363233059 /nfs/dbraw/zinc/23/30/59/363233059.db2.gz XBBXHHWBJNTOST-SNVBAGLBSA-N 1 0 265.313 1.487 20 5 CDBDRO Cc1nc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000250886220 366110788 /nfs/dbraw/zinc/11/07/88/366110788.db2.gz BBUIGLAHYCUYCW-RYUDHWBXSA-N 1 0 292.339 1.573 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN(C)C1CC([NH3+])C1 ZINC000384838089 366135238 /nfs/dbraw/zinc/13/52/38/366135238.db2.gz IFVUADBKZWWAAF-UHFFFAOYSA-N 1 0 265.313 1.525 20 5 CDBDRO COC[C@H](CO)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000234838568 358488030 /nfs/dbraw/zinc/48/80/30/358488030.db2.gz SSRUQWDVAJTWMG-PWSUYJOCSA-N 1 0 268.313 1.561 20 5 CDBDRO COc1ccc(NC(=O)CCC[NH3+])cc1[N+](=O)[O-] ZINC000336704126 356234981 /nfs/dbraw/zinc/23/49/81/356234981.db2.gz NGUSBKXCWWGFOS-UHFFFAOYSA-N 1 0 253.258 1.281 20 5 CDBDRO C[C@@H](O)[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000304528313 356305636 /nfs/dbraw/zinc/30/56/36/356305636.db2.gz MHZRCSYGCSFBCV-ZYHUDNBSSA-N 1 0 268.317 1.027 20 5 CDBDRO C[C@H](CNc1cccnc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000219436425 356349680 /nfs/dbraw/zinc/34/96/80/356349680.db2.gz NIBHYWBEBFDSEJ-SECBINFHSA-N 1 0 250.302 1.884 20 5 CDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000559641363 356755883 /nfs/dbraw/zinc/75/58/83/356755883.db2.gz WKVXBEXKTVMBJQ-SWHYSGLUSA-N 1 0 279.340 1.263 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000046464371 357144268 /nfs/dbraw/zinc/14/42/68/357144268.db2.gz CUCVDSJOBPWEDL-UHFFFAOYSA-N 1 0 279.340 1.975 20 5 CDBDRO C[NH+](C)C/C=C/C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000264598462 357410670 /nfs/dbraw/zinc/41/06/70/357410670.db2.gz CVEVJNSBKPHSOC-VMPITWQZSA-N 1 0 292.339 1.241 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000185071809 357506503 /nfs/dbraw/zinc/50/65/03/357506503.db2.gz JXTXZHKBTWTJJF-LERXQTSPSA-N 1 0 289.335 1.713 20 5 CDBDRO CC[C@@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000062889997 357713358 /nfs/dbraw/zinc/71/33/58/357713358.db2.gz NMYSVDFNXPXTAC-CYBMUJFWSA-N 1 0 263.297 1.923 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000186727600 357679450 /nfs/dbraw/zinc/67/94/50/357679450.db2.gz LLXZKEYJQIXUBB-ZWNOBZJWSA-N 1 0 293.323 1.088 20 5 CDBDRO Cn1c(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000361081825 357793784 /nfs/dbraw/zinc/79/37/84/357793784.db2.gz SONTUTXITZGENV-WDEREUQCSA-N 1 0 292.339 1.051 20 5 CDBDRO COC(=O)c1cc(NC(=O)[C@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000074954479 357933682 /nfs/dbraw/zinc/93/36/82/357933682.db2.gz HYFNLWSEIZOFFL-LLVKDONJSA-N 1 0 293.279 1.072 20 5 CDBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000189543758 358023634 /nfs/dbraw/zinc/02/36/34/358023634.db2.gz ZVEBGXDEZJUREW-QWHCGFSZSA-N 1 0 293.367 1.482 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000286940259 358038853 /nfs/dbraw/zinc/03/88/53/358038853.db2.gz JWFIRUZBALYZCC-QMMMGPOBSA-N 1 0 295.295 1.003 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000165897452 358238758 /nfs/dbraw/zinc/23/87/58/358238758.db2.gz LEJFACYPTRQXIZ-VIFPVBQESA-N 1 0 255.249 1.201 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000193621359 358309533 /nfs/dbraw/zinc/30/95/33/358309533.db2.gz YUBFJMZYPBGZMS-RISCZKNCSA-N 1 0 291.351 1.784 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000193680929 358315374 /nfs/dbraw/zinc/31/53/74/358315374.db2.gz URADRWWIXUUVEZ-GWCFXTLKSA-N 1 0 277.324 1.517 20 5 CDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC[NH2+]C1 ZINC000236797602 366423885 /nfs/dbraw/zinc/42/38/85/366423885.db2.gz PGQGYFVORVNVSS-ZDUSSCGKSA-N 1 0 291.351 1.941 20 5 CDBDRO CC[NH+]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000051121422 366440103 /nfs/dbraw/zinc/44/01/03/366440103.db2.gz ZDYGJDFRSIEXLG-UHFFFAOYSA-N 1 0 279.340 1.741 20 5 CDBDRO CCC[C@](C)(O)C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000264851981 358749257 /nfs/dbraw/zinc/74/92/57/358749257.db2.gz LVRCJPJZKPINDR-AWEZNQCLSA-N 1 0 298.339 1.950 20 5 CDBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000101957114 358867326 /nfs/dbraw/zinc/86/73/26/358867326.db2.gz IBLNNVMETDTXMH-UHFFFAOYSA-N 1 0 295.314 1.948 20 5 CDBDRO COc1ccc(C[NH2+]C[C@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000342212367 358966342 /nfs/dbraw/zinc/96/63/42/358966342.db2.gz NMIPPDJEHDHSFD-GFCCVEGCSA-N 1 0 282.340 1.958 20 5 CDBDRO C[C@H](CCC[NH3+])NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000311696947 358927261 /nfs/dbraw/zinc/92/72/61/358927261.db2.gz LPLFHTKZRCDEIZ-SECBINFHSA-N 1 0 287.341 1.001 20 5 CDBDRO C[C@H](c1cccnc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000093226764 359023351 /nfs/dbraw/zinc/02/33/51/359023351.db2.gz ZNGVNAOGPARFRD-LLVKDONJSA-N 1 0 275.312 1.879 20 5 CDBDRO COc1ccc(C(=O)N[C@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000381473128 359050328 /nfs/dbraw/zinc/05/03/28/359050328.db2.gz LTRUGUWNVNHKJZ-JGVFFNPUSA-N 1 0 267.285 1.069 20 5 CDBDRO COCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@H]1C ZINC000105791039 358986489 /nfs/dbraw/zinc/98/64/89/358986489.db2.gz CFGBVQLMJRMILI-LLVKDONJSA-N 1 0 280.328 1.147 20 5 CDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccn1 ZINC000119797155 359018604 /nfs/dbraw/zinc/01/86/04/359018604.db2.gz CWBWGVICDGCYDH-UHFFFAOYSA-N 1 0 275.312 1.708 20 5 CDBDRO C[C@H]1C[C@H](C)C[NH+](CCn2cnc([N+](=O)[O-])c2)C1 ZINC000569500842 359245515 /nfs/dbraw/zinc/24/55/15/359245515.db2.gz BKRKLZXRHWXPGS-QWRGUYRKSA-N 1 0 252.318 1.769 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000570079379 359287696 /nfs/dbraw/zinc/28/76/96/359287696.db2.gz IFTVSUATPIYRJS-GFCCVEGCSA-N 1 0 291.351 1.954 20 5 CDBDRO CNC(=O)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000111815663 359265505 /nfs/dbraw/zinc/26/55/05/359265505.db2.gz XGDBZDBVLNSCHU-UHFFFAOYSA-N 1 0 251.286 1.211 20 5 CDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCC[NH2+]C1 ZINC000050162638 359352803 /nfs/dbraw/zinc/35/28/03/359352803.db2.gz JLJMRJZZPRLJRO-DTWKUNHWSA-N 1 0 283.353 1.774 20 5 CDBDRO Cc1n[nH]c(C(=O)NC[C@H](CC(C)C)[NH+](C)C)c1[N+](=O)[O-] ZINC000265124125 359517959 /nfs/dbraw/zinc/51/79/59/359517959.db2.gz ORZRIEYWQNCFNC-JTQLQIEISA-N 1 0 297.359 1.332 20 5 CDBDRO CC(C)(C)NC(=O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000049900514 359522350 /nfs/dbraw/zinc/52/23/50/359522350.db2.gz MGBJONLCFSGTPI-UHFFFAOYSA-N 1 0 265.313 1.599 20 5 CDBDRO CCN(C)C(=O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571581794 359588948 /nfs/dbraw/zinc/58/89/48/359588948.db2.gz RLIZMEXIRVVHKP-LBPRGKRZSA-N 1 0 277.324 1.650 20 5 CDBDRO C[C@H]1CCCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000408341773 359667884 /nfs/dbraw/zinc/66/78/84/359667884.db2.gz SWVXZPOPHSAZMM-JTQLQIEISA-N 1 0 252.318 1.950 20 5 CDBDRO Cc1nc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000297347222 200157317 /nfs/dbraw/zinc/15/73/17/200157317.db2.gz BGHODWHGBIGQGT-WDEREUQCSA-N 1 0 279.344 1.978 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](C2CC2)C2CCCC2)c1 ZINC000075718740 359972364 /nfs/dbraw/zinc/97/23/64/359972364.db2.gz YNXXZPIUEMXBIN-CQSZACIVSA-N 1 0 294.355 1.559 20 5 CDBDRO COc1ccc(OCC[N@H+](CCO)C(C)C)c([N+](=O)[O-])c1 ZINC000176366337 360252391 /nfs/dbraw/zinc/25/23/91/360252391.db2.gz GUFNHERHSLSOLH-UHFFFAOYSA-N 1 0 298.339 1.685 20 5 CDBDRO C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000235612288 360212583 /nfs/dbraw/zinc/21/25/83/360212583.db2.gz CKWMYTWJXFMSKO-FZMZJTMJSA-N 1 0 291.351 1.723 20 5 CDBDRO C[C@@H]([NH3+])CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000178637450 189132899 /nfs/dbraw/zinc/13/28/99/189132899.db2.gz GZVHIXPANQFKBQ-SECBINFHSA-N 1 0 280.328 1.128 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C[N@@H+]1C1CC1 ZINC000177154663 238273478 /nfs/dbraw/zinc/27/34/78/238273478.db2.gz KWDGFXBPMGUIQY-DTWKUNHWSA-N 1 0 279.296 1.543 20 5 CDBDRO CC[NH+](CC)CCN(CCOC)c1ccc([N+](=O)[O-])cn1 ZINC000267528394 360960394 /nfs/dbraw/zinc/96/03/94/360960394.db2.gz JOSZOWPTEHETFP-UHFFFAOYSA-N 1 0 296.371 1.784 20 5 CDBDRO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000180489561 189258381 /nfs/dbraw/zinc/25/83/81/189258381.db2.gz JPNHJYHAGXWSIK-ZDUSSCGKSA-N 1 0 293.367 1.747 20 5 CDBDRO C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000070076071 361238553 /nfs/dbraw/zinc/23/85/53/361238553.db2.gz VUQPXQZDSGOHRU-GHMZBOCLSA-N 1 0 277.324 1.346 20 5 CDBDRO CO[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000267697464 361322191 /nfs/dbraw/zinc/32/21/91/361322191.db2.gz SZZPPKNOWDXMHR-ZDUSSCGKSA-N 1 0 266.297 1.694 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000519601115 361373737 /nfs/dbraw/zinc/37/37/37/361373737.db2.gz ASYLDZCNNMUGEF-SECBINFHSA-N 1 0 278.312 1.001 20 5 CDBDRO C[C@H](O)C[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000159492724 361494182 /nfs/dbraw/zinc/49/41/82/361494182.db2.gz KYPQJGCOJGOEEG-GXFFZTMASA-N 1 0 293.323 1.013 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000293050891 239276079 /nfs/dbraw/zinc/27/60/79/239276079.db2.gz LMJWORYMFBZCRF-SNVBAGLBSA-N 1 0 292.339 1.082 20 5 CDBDRO NC(=O)c1ccc(C[NH2+]C2(CO)CCCC2)c([N+](=O)[O-])c1 ZINC000304868555 239364939 /nfs/dbraw/zinc/36/49/39/239364939.db2.gz DGHWHMTXEQOYJX-UHFFFAOYSA-N 1 0 293.323 1.088 20 5 CDBDRO C[C@H](C[S@](C)=O)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000168164925 363967817 /nfs/dbraw/zinc/96/78/17/363967817.db2.gz RXROQIZOFQKTBH-VVVCHXIZSA-N 1 0 256.327 1.451 20 5 CDBDRO Cc1cc(C(=O)N2CC[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000088058998 364048242 /nfs/dbraw/zinc/04/82/42/364048242.db2.gz RXIZKCRTUPYEQI-SNVBAGLBSA-N 1 0 263.297 1.337 20 5 CDBDRO Cc1cccc(C(=O)N2CC[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000088059314 364048475 /nfs/dbraw/zinc/04/84/75/364048475.db2.gz DRVHKQLZRIHDRJ-JTQLQIEISA-N 1 0 263.297 1.337 20 5 CDBDRO COc1ccc(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000384455516 364751059 /nfs/dbraw/zinc/75/10/59/364751059.db2.gz JBSDWNGCLDPJFF-MWLCHTKSSA-N 1 0 293.323 1.930 20 5 CDBDRO COc1ccc(C[NH2+]CC(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000106466469 364861649 /nfs/dbraw/zinc/86/16/49/364861649.db2.gz PUUGQFXLVLXNGM-UHFFFAOYSA-N 1 0 295.339 1.608 20 5 CDBDRO CCOc1cc(C[NH2+][C@H]2COC[C@@H]2OC)ccc1[N+](=O)[O-] ZINC000290229487 364953872 /nfs/dbraw/zinc/95/38/72/364953872.db2.gz XSUVQBUHPVCILI-FZMZJTMJSA-N 1 0 296.323 1.497 20 5 CDBDRO CC(C)(O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000111385596 364955827 /nfs/dbraw/zinc/95/58/27/364955827.db2.gz QEMALQLOIHNBKG-FNORWQNLSA-N 1 0 250.298 1.969 20 5 CDBDRO CC[N@@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000412852317 240398507 /nfs/dbraw/zinc/39/85/07/240398507.db2.gz WYUYKQXZKIBCED-NSHDSACASA-N 1 0 295.314 1.487 20 5 CDBDRO CC1=CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000270573122 366904686 /nfs/dbraw/zinc/90/46/86/366904686.db2.gz OFVQGEBDMJIHCW-UHFFFAOYSA-N 1 0 263.297 1.409 20 5 CDBDRO Cc1ccc(NC(=O)N2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000414649789 241300098 /nfs/dbraw/zinc/30/00/98/241300098.db2.gz ALDPUOUBSRXJNM-JTQLQIEISA-N 1 0 278.312 1.716 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]([NH3+])C(C)C ZINC000414659215 241308260 /nfs/dbraw/zinc/30/82/60/241308260.db2.gz SIYCBCQLLBNBDY-JTQLQIEISA-N 1 0 296.327 1.708 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000094340098 367048697 /nfs/dbraw/zinc/04/86/97/367048697.db2.gz MPCLBTBXZBFLMI-JOYOIKCWSA-N 1 0 263.297 1.404 20 5 CDBDRO C[N@H+]1CC=C(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000272022935 367056566 /nfs/dbraw/zinc/05/65/66/367056566.db2.gz XTTYZNCRMYLROQ-UHFFFAOYSA-N 1 0 290.323 1.978 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)C[NH3+] ZINC000415509520 241708709 /nfs/dbraw/zinc/70/87/09/241708709.db2.gz WOYTVFPDRDRTQO-SSDOTTSWSA-N 1 0 268.273 1.072 20 5 CDBDRO COc1ccc(CNC(=O)N[C@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000417189392 242352279 /nfs/dbraw/zinc/35/22/79/242352279.db2.gz JCIASACBEMRNIL-SECBINFHSA-N 1 0 296.327 1.140 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000417203143 242356890 /nfs/dbraw/zinc/35/68/90/242356890.db2.gz YHMFYRVVJFUSOY-SNVBAGLBSA-N 1 0 296.327 1.140 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417225368 242366450 /nfs/dbraw/zinc/36/64/50/242366450.db2.gz JJKBCJLCRRVRIW-JTQLQIEISA-N 1 0 280.328 1.126 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000272311574 367676917 /nfs/dbraw/zinc/67/69/17/367676917.db2.gz RZVMIZITDXSZCZ-MNOVXSKESA-N 1 0 293.323 1.169 20 5 CDBDRO C[NH+]1CCC(NC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272436906 367732894 /nfs/dbraw/zinc/73/28/94/367732894.db2.gz MBCUWOUWDVLSKH-UHFFFAOYSA-N 1 0 278.312 1.001 20 5 CDBDRO C[C@H](NC(=O)N[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000418239071 242815024 /nfs/dbraw/zinc/81/50/24/242815024.db2.gz YBLFHDJBVLFIKN-ONGXEEELSA-N 1 0 278.312 1.317 20 5 CDBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCN(C)C1=O ZINC000272764526 368086119 /nfs/dbraw/zinc/08/61/19/368086119.db2.gz DBURPMMTSMSJFM-LBPRGKRZSA-N 1 0 297.742 1.911 20 5 CDBDRO Cc1nn(C)c(NC[C@@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420269876 244001947 /nfs/dbraw/zinc/00/19/47/244001947.db2.gz BUAFRFPJOBDAAW-NXEZZACHSA-N 1 0 267.333 1.566 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000420278344 244016778 /nfs/dbraw/zinc/01/67/78/244016778.db2.gz IYKKJUSMFXOEDA-BDAKNGLRSA-N 1 0 253.306 1.258 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C)C[C@H]1C ZINC000330676324 203106388 /nfs/dbraw/zinc/10/63/88/203106388.db2.gz UDFGWPBOWRZDAM-LLVKDONJSA-N 1 0 279.340 1.739 20 5 CDBDRO C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000420336213 244105137 /nfs/dbraw/zinc/10/51/37/244105137.db2.gz LSVCLJVSIXDMQI-NSHDSACASA-N 1 0 265.313 1.267 20 5 CDBDRO CC(C)(C)[C@H](CN)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000420367075 244153462 /nfs/dbraw/zinc/15/34/62/244153462.db2.gz SAWOMHAOJVUMFR-ZDUSSCGKSA-N 1 0 281.356 1.937 20 5 CDBDRO COc1cccc(C(=O)NC(C)(C)C[NH3+])c1[N+](=O)[O-] ZINC000577382764 317319488 /nfs/dbraw/zinc/31/94/88/317319488.db2.gz VKSNFIFWQIXDDF-UHFFFAOYSA-N 1 0 267.285 1.071 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000420382714 244179292 /nfs/dbraw/zinc/17/92/92/244179292.db2.gz ZYCRCCMGEYHTSG-TYNCELHUSA-N 1 0 293.367 1.950 20 5 CDBDRO CC[NH+](CC)CCCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420584290 244266183 /nfs/dbraw/zinc/26/61/83/244266183.db2.gz LUGXPBDFBJOKPS-UHFFFAOYSA-N 1 0 294.355 1.838 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cn1 ZINC000420645042 244308688 /nfs/dbraw/zinc/30/86/88/244308688.db2.gz ZRJOQAROEBKXAD-LLVKDONJSA-N 1 0 250.302 1.520 20 5 CDBDRO Cc1c(C[N@@H+](C)[C@@]2(CO)CCOC2)cccc1[N+](=O)[O-] ZINC000330819218 203274795 /nfs/dbraw/zinc/27/47/95/203274795.db2.gz ONNNUXINPKFHLQ-CQSZACIVSA-N 1 0 280.324 1.486 20 5 CDBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000351823126 369303815 /nfs/dbraw/zinc/30/38/15/369303815.db2.gz CKMXVHGJPUMYCQ-GXFFZTMASA-N 1 0 293.323 1.236 20 5 CDBDRO C[C@@H](NC[C@@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330880542 203346837 /nfs/dbraw/zinc/34/68/37/203346837.db2.gz NCKRDGUDIFNKJJ-RISCZKNCSA-N 1 0 279.340 1.312 20 5 CDBDRO CCc1ccc(C(=O)NC[C@H]([NH3+])CC)cc1[N+](=O)[O-] ZINC000295241591 369720128 /nfs/dbraw/zinc/72/01/28/369720128.db2.gz PCUFGTVCZLAUQI-LLVKDONJSA-N 1 0 265.313 1.624 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000295290195 369877014 /nfs/dbraw/zinc/87/70/14/369877014.db2.gz UFPACSWYIFYIQP-SECBINFHSA-N 1 0 285.731 1.644 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000161315317 369893594 /nfs/dbraw/zinc/89/35/94/369893594.db2.gz LQCBDZFRGZWTPH-MNOVXSKESA-N 1 0 293.323 1.360 20 5 CDBDRO CC[C@H](CO)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000295693984 370571683 /nfs/dbraw/zinc/57/16/83/370571683.db2.gz LXUNHFMTIFFBHZ-LLVKDONJSA-N 1 0 268.313 1.676 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422711424 245168409 /nfs/dbraw/zinc/16/84/09/245168409.db2.gz GYIHPRGYJMHUIC-NWDGAFQWSA-N 1 0 265.313 1.573 20 5 CDBDRO Cc1c(CC(=O)N2CC[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC000422766355 245230011 /nfs/dbraw/zinc/23/00/11/245230011.db2.gz WZQKINSDLWERLK-SNVBAGLBSA-N 1 0 277.324 1.266 20 5 CDBDRO O=C(NCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000133824251 372846177 /nfs/dbraw/zinc/84/61/77/372846177.db2.gz HKNQMEIRGOARTL-UHFFFAOYSA-N 1 0 297.742 1.864 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(CO)CC2)c1 ZINC000269631489 373199559 /nfs/dbraw/zinc/19/95/59/373199559.db2.gz FPZDQOHITRYZMA-AWEZNQCLSA-N 1 0 280.324 1.333 20 5 CDBDRO CSCC[C@@H]([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000130809450 373744229 /nfs/dbraw/zinc/74/42/29/373744229.db2.gz KYXSJKUCWIHZLG-SNVBAGLBSA-N 1 0 269.326 1.614 20 5 CDBDRO Cc1c(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000368424464 373831263 /nfs/dbraw/zinc/83/12/63/373831263.db2.gz KLPLUJNLVNRSJV-IINYFYTJSA-N 1 0 275.308 1.841 20 5 CDBDRO CC(C)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000298735044 374088601 /nfs/dbraw/zinc/08/86/01/374088601.db2.gz VLMHIVPMDUIMEU-UHFFFAOYSA-N 1 0 294.359 1.499 20 5 CDBDRO COc1ccc(C[NH2+]C[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000113310324 374250012 /nfs/dbraw/zinc/25/00/12/374250012.db2.gz GTRQTLJYCWNNCC-SECBINFHSA-N 1 0 254.286 1.321 20 5 CDBDRO Nc1c(C(=O)N[C@@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000368720426 374325747 /nfs/dbraw/zinc/32/57/47/374325747.db2.gz YHWJPKRFAPDEOU-SECBINFHSA-N 1 0 278.312 1.049 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000161615885 374354550 /nfs/dbraw/zinc/35/45/50/374354550.db2.gz AXOOJVILLKIVJR-GHMZBOCLSA-N 1 0 263.297 1.595 20 5 CDBDRO COc1ccc(CN[C@@H]2CCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000422943507 374364719 /nfs/dbraw/zinc/36/47/19/374364719.db2.gz KODNQCXAZNKALE-WDEREUQCSA-N 1 0 265.313 1.573 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3cn[nH]c3)CC2)c1 ZINC000370003038 374374509 /nfs/dbraw/zinc/37/45/09/374374509.db2.gz WIFMDGMMXGMLAK-UHFFFAOYSA-N 1 0 290.327 1.394 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000424334186 374409279 /nfs/dbraw/zinc/40/92/79/374409279.db2.gz NEYIASFOYFWBCC-CHWSQXEVSA-N 1 0 279.340 1.963 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000349983940 374494739 /nfs/dbraw/zinc/49/47/39/374494739.db2.gz CQQQZRNRAGACOP-ZETCQYMHSA-N 1 0 271.704 1.715 20 5 CDBDRO Nc1ccc(C(=O)N[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000376386602 374552159 /nfs/dbraw/zinc/55/21/59/374552159.db2.gz OEJUZBCVQBRCQO-SNVBAGLBSA-N 1 0 278.312 1.049 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000429238567 374574701 /nfs/dbraw/zinc/57/47/01/374574701.db2.gz QZBTVAFTHJZLPC-LLVKDONJSA-N 1 0 295.339 1.335 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000429144490 374569211 /nfs/dbraw/zinc/56/92/11/374569211.db2.gz SWPSYDNFOSEVHW-QPUJVOFHSA-N 1 0 278.312 1.108 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1C[NH3+] ZINC000070176555 374656158 /nfs/dbraw/zinc/65/61/58/374656158.db2.gz OZLWFSTUUQXBPR-WCBMZHEXSA-N 1 0 266.301 1.122 20 5 CDBDRO Cc1cc(N[C@@H](C)[C@@H]2CN(C)CCO2)ncc1[N+](=O)[O-] ZINC000154780400 374749749 /nfs/dbraw/zinc/74/97/49/374749749.db2.gz XNNNBWHZONIISF-JQWIXIFHSA-N 1 0 280.328 1.429 20 5 CDBDRO CO[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000276887783 374756764 /nfs/dbraw/zinc/75/67/64/374756764.db2.gz NFVSRKWIHRYKJI-OKILXGFUSA-N 1 0 296.323 1.319 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000124565963 374813440 /nfs/dbraw/zinc/81/34/40/374813440.db2.gz FNGFQEKOELVIBS-UHFFFAOYSA-N 1 0 269.276 1.415 20 5 CDBDRO CN(CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCC1 ZINC000282437689 375084990 /nfs/dbraw/zinc/08/49/90/375084990.db2.gz KTYKKMCZDPIHCZ-UHFFFAOYSA-N 1 0 277.324 1.301 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC([NH+](C)C)C1 ZINC000283983402 375127179 /nfs/dbraw/zinc/12/71/79/375127179.db2.gz ZZCXKILSYDMAGB-UHFFFAOYSA-N 1 0 293.323 1.440 20 5 CDBDRO COc1cc(C(=O)NCC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000299620201 375186672 /nfs/dbraw/zinc/18/66/72/375186672.db2.gz DPRHCGREGHEQGA-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000131881175 375371355 /nfs/dbraw/zinc/37/13/55/375371355.db2.gz HIJCXCAUMZPSFT-UWVGGRQHSA-N 1 0 263.297 1.404 20 5 CDBDRO CC[N@@H+]1CC[C@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000493331046 375444398 /nfs/dbraw/zinc/44/43/98/375444398.db2.gz FZYBADACXRTDNA-YBJDMEARSA-N 1 0 289.335 1.818 20 5 CDBDRO CC[NH+](CC)CCn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000603323320 375553832 /nfs/dbraw/zinc/55/38/32/375553832.db2.gz ALIMIWTUKIVCJZ-UHFFFAOYSA-N 1 0 277.328 1.990 20 5 CDBDRO C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])cn2)CCC[N@@H+]1C ZINC000354558235 375726507 /nfs/dbraw/zinc/72/65/07/375726507.db2.gz ASFWUQQBEMYNRY-WPRPVWTQSA-N 1 0 251.290 1.279 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)CC(N)=O ZINC000345043085 375730801 /nfs/dbraw/zinc/73/08/01/375730801.db2.gz DSVWZGWNBMXPHA-RUYJGKKWSA-N 1 0 277.324 1.852 20 5 CDBDRO C[C@H](NC(=O)C[C@H]1COCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000130273063 376564440 /nfs/dbraw/zinc/56/44/40/376564440.db2.gz ZLWSITUGYUGYPX-JQWIXIFHSA-N 1 0 293.323 1.151 20 5 CDBDRO CCc1n[nH]c(C(=O)NCC[N@@H+](C)[C@@H](C)CC)c1[N+](=O)[O-] ZINC000264682346 190128325 /nfs/dbraw/zinc/12/83/25/190128325.db2.gz PUSYRRAPGWKIEF-VIFPVBQESA-N 1 0 297.359 1.340 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000172173092 377334349 /nfs/dbraw/zinc/33/43/49/377334349.db2.gz BILNHIIIURVUKL-LBPRGKRZSA-N 1 0 291.351 1.927 20 5 CDBDRO Cc1cc(N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000266839402 377464207 /nfs/dbraw/zinc/46/42/07/377464207.db2.gz LOKLGSLAZDLRPQ-NWDGAFQWSA-N 1 0 294.355 1.190 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444144241 250087777 /nfs/dbraw/zinc/08/77/77/250087777.db2.gz VAKANAHYOGJWCZ-WFASDCNBSA-N 1 0 289.335 1.553 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1C[C@]12CC[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000444152251 250090441 /nfs/dbraw/zinc/09/04/41/250090441.db2.gz MLTRDZMZKRPWCY-XEGUGMAKSA-N 1 0 289.335 1.772 20 5 CDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279163057 194312637 /nfs/dbraw/zinc/31/26/37/194312637.db2.gz BPPGOISVDFZDFI-AWEZNQCLSA-N 1 0 289.335 1.838 20 5 CDBDRO Cc1nc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ncc1[N+](=O)[O-] ZINC000450251541 251193189 /nfs/dbraw/zinc/19/31/89/251193189.db2.gz BKKISZUOISEUSM-QWRGUYRKSA-N 1 0 277.328 1.732 20 5 CDBDRO CO[C@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000453157835 252278600 /nfs/dbraw/zinc/27/86/00/252278600.db2.gz HKIJBMRNCGBDDI-RYUDHWBXSA-N 1 0 280.328 1.339 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000493136503 253380483 /nfs/dbraw/zinc/38/04/83/253380483.db2.gz DIMBTRCFADDPIZ-LVKGHMNNSA-N 1 0 293.298 1.553 20 5 CDBDRO C[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000289312508 197293247 /nfs/dbraw/zinc/29/32/47/197293247.db2.gz FDQZDDXJNJIVKM-XHDPSFHLSA-N 1 0 293.367 1.701 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493594879 253501880 /nfs/dbraw/zinc/50/18/80/253501880.db2.gz HVMHBMLYYSHEGA-TXNVCOODSA-N 1 0 295.314 1.847 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000289281176 197283871 /nfs/dbraw/zinc/28/38/71/197283871.db2.gz SPJJVWDQWUDAAE-QMMMGPOBSA-N 1 0 284.291 1.806 20 5 CDBDRO C[C@H](CCCC[NH3+])NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000495099946 253685968 /nfs/dbraw/zinc/68/59/68/253685968.db2.gz HBHBDEWYFNXNDJ-SNVBAGLBSA-N 1 0 297.359 1.160 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000072089516 285166228 /nfs/dbraw/zinc/16/62/28/285166228.db2.gz AFGOTSNCQHMIBJ-LLVKDONJSA-N 1 0 262.313 1.664 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NC[C@@H]2CCC[NH2+]2)n1 ZINC000423235891 285168862 /nfs/dbraw/zinc/16/88/62/285168862.db2.gz NMKCDOGHAXGPAN-YNEHKIRRSA-N 1 0 293.371 1.617 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)nc1 ZINC000273620314 285176141 /nfs/dbraw/zinc/17/61/41/285176141.db2.gz ONOCEQLOBXKPFR-LBPRGKRZSA-N 1 0 291.355 1.697 20 5 CDBDRO CC[C@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000285843095 390184887 /nfs/dbraw/zinc/18/48/87/390184887.db2.gz TVWZHCSGOBNHJZ-LLVKDONJSA-N 1 0 291.311 1.750 20 5 CDBDRO CC1(C)CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000175395862 390231021 /nfs/dbraw/zinc/23/10/21/390231021.db2.gz CUDNXZCFLVMMPO-VMPITWQZSA-N 1 0 289.335 1.818 20 5 CDBDRO C[NH2+][C@@H]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000261701319 390494014 /nfs/dbraw/zinc/49/40/14/390494014.db2.gz ILIPBOIWRUGWOC-MRVPVSSYSA-N 1 0 293.352 1.788 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000150271463 390477921 /nfs/dbraw/zinc/47/79/21/390477921.db2.gz SZMOTOJJAFTTMY-LBPRGKRZSA-N 1 0 279.340 1.771 20 5 CDBDRO [NH3+]C[C@H]1CCCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000261656161 390480309 /nfs/dbraw/zinc/48/03/09/390480309.db2.gz YRCNAGCDTMGWNA-SSDOTTSWSA-N 1 0 279.325 1.527 20 5 CDBDRO C[NH2+]C[C@H](C)CNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC000420210059 390577749 /nfs/dbraw/zinc/57/77/49/390577749.db2.gz SDTPHDIQQYVPMJ-VIFPVBQESA-N 1 0 295.339 1.957 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1(C)C ZINC000451568996 390631318 /nfs/dbraw/zinc/63/13/18/390631318.db2.gz SFJWSEZYIXLEFB-LLVKDONJSA-N 1 0 282.344 1.538 20 5 CDBDRO CC[C@]1(CO)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000187581392 390858884 /nfs/dbraw/zinc/85/88/84/390858884.db2.gz CJDOAODOYIVGCW-ZDUSSCGKSA-N 1 0 282.344 1.276 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@H](C[NH3+])C1 ZINC000235316729 390866096 /nfs/dbraw/zinc/86/60/96/390866096.db2.gz FNGWVKCXULTZER-BDAKNGLRSA-N 1 0 283.353 1.856 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430918377 390942441 /nfs/dbraw/zinc/94/24/41/390942441.db2.gz HIYCJSZPXNMTEJ-JTQLQIEISA-N 1 0 290.323 1.777 20 5 CDBDRO CO[C@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000451486320 391044017 /nfs/dbraw/zinc/04/40/17/391044017.db2.gz DREPDEVLQYFVBQ-QWRGUYRKSA-N 1 0 268.317 1.194 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)CN1C ZINC000408067110 391229790 /nfs/dbraw/zinc/22/97/90/391229790.db2.gz AVYDIAQGSGRFCO-GHMZBOCLSA-N 1 0 277.324 1.759 20 5 CDBDRO O=[N+]([O-])c1cccc(CNC[C@@H]2C[NH2+]CCCO2)c1 ZINC000415030068 391247754 /nfs/dbraw/zinc/24/77/54/391247754.db2.gz BSDJQFYRYWQZFZ-ZDUSSCGKSA-N 1 0 265.313 1.063 20 5 CDBDRO [NH3+]CC[C@H](NCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000415061774 391253847 /nfs/dbraw/zinc/25/38/47/391253847.db2.gz XGIXTWXJXYYJDQ-JTQLQIEISA-N 1 0 277.246 1.964 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000383451470 391337504 /nfs/dbraw/zinc/33/75/04/391337504.db2.gz HQFYPRYLZKYKSW-JTQLQIEISA-N 1 0 287.266 1.616 20 5 CDBDRO O=C(CC[N@H+]1CCC[C@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000411243851 391415260 /nfs/dbraw/zinc/41/52/60/391415260.db2.gz YLRXGNIKJGYBTJ-ZDUSSCGKSA-N 1 0 293.323 1.380 20 5 CDBDRO CC(C)(NC(=O)[C@H]1C[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000567903705 391546980 /nfs/dbraw/zinc/54/69/80/391546980.db2.gz ODFDKTUVKWXWLN-JGZJWPJOSA-N 1 0 277.324 1.683 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CCC[NH3+] ZINC000449574700 391618064 /nfs/dbraw/zinc/61/80/64/391618064.db2.gz VSTFIKCKSUHXST-SECBINFHSA-N 1 0 281.312 1.461 20 5 CDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]C1 ZINC000237988669 391716691 /nfs/dbraw/zinc/71/66/91/391716691.db2.gz VUIAYJYXJFAYQP-NSHDSACASA-N 1 0 292.339 1.123 20 5 CDBDRO CC(C)[C@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487086922 391886636 /nfs/dbraw/zinc/88/66/36/391886636.db2.gz OMKYJRWDULHAQV-GFCCVEGCSA-N 1 0 264.329 1.766 20 5 CDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ncccc1[N+](=O)[O-] ZINC000267773188 392213535 /nfs/dbraw/zinc/21/35/35/392213535.db2.gz XMKIIXXUUAKWCO-MNOVXSKESA-N 1 0 264.329 1.766 20 5 CDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000237540228 131039990 /nfs/dbraw/zinc/03/99/90/131039990.db2.gz QCHUXIFCKZLPLX-VHSXEESVSA-N 1 0 295.364 1.635 20 5 CDBDRO C[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000237603448 131046384 /nfs/dbraw/zinc/04/63/84/131046384.db2.gz HRZJTUSJWVOFLH-QWRGUYRKSA-N 1 0 293.323 1.182 20 5 CDBDRO C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C ZINC000248336653 131113221 /nfs/dbraw/zinc/11/32/21/131113221.db2.gz HDCCITJMKFEXKL-ZJUUUORDSA-N 1 0 277.324 1.924 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261845559 131172730 /nfs/dbraw/zinc/17/27/30/131172730.db2.gz PYNPMWCUESFWCH-UHFFFAOYSA-N 1 0 295.364 1.872 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000261851956 131173194 /nfs/dbraw/zinc/17/31/94/131173194.db2.gz VXQKMGROYUJMFQ-QWHCGFSZSA-N 1 0 291.351 1.771 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000262886853 131270652 /nfs/dbraw/zinc/27/06/52/131270652.db2.gz WMCMSEOZRSIARC-MFKMUULPSA-N 1 0 277.324 1.631 20 5 CDBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000267258838 131844020 /nfs/dbraw/zinc/84/40/20/131844020.db2.gz FUCGRBAIINKWQS-ZJUUUORDSA-N 1 0 280.328 1.526 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000523352921 392887947 /nfs/dbraw/zinc/88/79/47/392887947.db2.gz UZGKDCOOQKTRMC-SNVBAGLBSA-N 1 0 280.328 1.383 20 5 CDBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCCCC[NH3+] ZINC000420242837 392911741 /nfs/dbraw/zinc/91/17/41/392911741.db2.gz XAXZDXDLBBGJPK-UHFFFAOYSA-N 1 0 290.323 1.724 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)NCCF ZINC000521643472 392867811 /nfs/dbraw/zinc/86/78/11/392867811.db2.gz FXIHBQABULLBKR-BXKDBHETSA-N 1 0 295.314 1.646 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)NCC[NH3+])cc1[N+](=O)[O-] ZINC000417817656 392873981 /nfs/dbraw/zinc/87/39/81/392873981.db2.gz AAPWPHDCNLIFDR-VIFPVBQESA-N 1 0 266.301 1.222 20 5 CDBDRO CCCN1C[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000421354763 392933063 /nfs/dbraw/zinc/93/30/63/392933063.db2.gz SQIWHKCVZCCSII-GFCCVEGCSA-N 1 0 291.351 1.943 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000423708278 392966956 /nfs/dbraw/zinc/96/69/56/392966956.db2.gz USFCXTIBVMTQQZ-JTQLQIEISA-N 1 0 292.339 1.439 20 5 CDBDRO CC[C@]1(O)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000425932050 393033891 /nfs/dbraw/zinc/03/38/91/393033891.db2.gz OJJHOXAMXOEAMW-AWEZNQCLSA-N 1 0 264.325 1.984 20 5 CDBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000429776291 393085603 /nfs/dbraw/zinc/08/56/03/393085603.db2.gz ZPMJLERCPMJVTO-CABZTGNLSA-N 1 0 295.314 1.738 20 5 CDBDRO C[NH2+]CCCC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000429963671 393089232 /nfs/dbraw/zinc/08/92/32/393089232.db2.gz BBSNUJPQMIIEPR-UHFFFAOYSA-N 1 0 281.312 1.219 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)CC(N)=O ZINC000430215294 393093822 /nfs/dbraw/zinc/09/38/22/393093822.db2.gz BMVAMRBSPGOCCO-UHFFFAOYSA-N 1 0 281.312 1.347 20 5 CDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000530916839 393057793 /nfs/dbraw/zinc/05/77/93/393057793.db2.gz QSBXFOGALJSXNE-SNVBAGLBSA-N 1 0 292.339 1.249 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](O)C2CCC2)cs1 ZINC000316668805 393059599 /nfs/dbraw/zinc/05/95/99/393059599.db2.gz XVFKNDYOYSDCOU-SNVBAGLBSA-N 1 0 256.327 1.907 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493752357 393220236 /nfs/dbraw/zinc/22/02/36/393220236.db2.gz KRJBRCBNBSILNT-GQCTYLIASA-N 1 0 281.287 1.601 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493749725 393220280 /nfs/dbraw/zinc/22/02/80/393220280.db2.gz SPQKZCFCWKKHSN-RQMIITCSSA-N 1 0 295.314 1.989 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493854992 393223403 /nfs/dbraw/zinc/22/34/03/393223403.db2.gz NKDMGBNZOZICAR-VRXNHQPZSA-N 1 0 275.308 1.556 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC2(CC2)C1 ZINC000187000023 140074225 /nfs/dbraw/zinc/07/42/25/140074225.db2.gz IEUUDXHNUKXQGI-UHFFFAOYSA-N 1 0 277.324 1.633 20 5 CDBDRO O=C(NCC1=CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000189293343 140111044 /nfs/dbraw/zinc/11/10/44/140111044.db2.gz DXNIUDAUXHMKTA-UHFFFAOYSA-N 1 0 261.281 1.244 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000228107879 140190274 /nfs/dbraw/zinc/19/02/74/140190274.db2.gz VTZZUTQYCKSSBA-ZLKJLUDKSA-N 1 0 292.335 1.806 20 5 CDBDRO C[C@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235671138 140236387 /nfs/dbraw/zinc/23/63/87/140236387.db2.gz BNQLKASMBRFKOH-VHSXEESVSA-N 1 0 299.352 1.014 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261586761 140357285 /nfs/dbraw/zinc/35/72/85/140357285.db2.gz JBVUJYHBNJVYGS-OCCSQVGLSA-N 1 0 261.325 1.779 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261589117 140357772 /nfs/dbraw/zinc/35/77/72/140357772.db2.gz KLGVTVNSVCPSST-NXEZZACHSA-N 1 0 267.304 1.903 20 5 CDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)C1=CC[N@H+](C)CC1 ZINC000543754606 397627375 /nfs/dbraw/zinc/62/73/75/397627375.db2.gz UJXMHYUVDIHOGE-JTQLQIEISA-N 1 0 292.339 1.314 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000101955467 147141403 /nfs/dbraw/zinc/14/14/03/147141403.db2.gz DACJXDABEZAPMS-UHFFFAOYSA-N 1 0 295.339 1.430 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135429516 147677608 /nfs/dbraw/zinc/67/76/08/147677608.db2.gz BBEZCVXFEKFTBF-ZYHUDNBSSA-N 1 0 277.324 1.333 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261939823 148989802 /nfs/dbraw/zinc/98/98/02/148989802.db2.gz DNERCTIMFFPCEW-ZWNOBZJWSA-N 1 0 279.340 1.773 20 5 CDBDRO CCCc1n[nH]c(C(=O)N2CC[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC000262061304 149006786 /nfs/dbraw/zinc/00/67/86/149006786.db2.gz RQXGJLXLXKAHBA-CYBMUJFWSA-N 1 0 295.343 1.081 20 5 CDBDRO COc1cc(C(=O)NCc2nccn2C)ccc1[N+](=O)[O-] ZINC000343295014 152107477 /nfs/dbraw/zinc/10/74/77/152107477.db2.gz BPRQBIBCNTWOLH-UHFFFAOYSA-N 1 0 290.279 1.267 20 5 CDBDRO CC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCOCC1 ZINC000343392409 152152687 /nfs/dbraw/zinc/15/26/87/152152687.db2.gz WQTBAKGTIMWRAY-GFCCVEGCSA-N 1 0 282.344 1.586 20 5 CDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000343570807 152228557 /nfs/dbraw/zinc/22/85/57/152228557.db2.gz ABIYBALUCBWALB-NSHDSACASA-N 1 0 294.355 1.538 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])c(N)c1F ZINC000343803437 152308556 /nfs/dbraw/zinc/30/85/56/152308556.db2.gz IBUMJJNVQNGXAN-SSDOTTSWSA-N 1 0 256.281 1.678 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c1 ZINC000344035333 152398175 /nfs/dbraw/zinc/39/81/75/152398175.db2.gz RQTHRSFYZGEZFK-NILFDRSVSA-N 1 0 292.335 1.676 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000168694388 292282740 /nfs/dbraw/zinc/28/27/40/292282740.db2.gz YHYXXBZBCPVYMX-MNOVXSKESA-N 1 0 277.324 1.713 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000186821084 286381676 /nfs/dbraw/zinc/38/16/76/286381676.db2.gz NTXYRIPQIRQJGF-SKDRFNHKSA-N 1 0 293.323 1.331 20 5 CDBDRO O=C(C[C@@H]1CC[NH2+]C1)NCCc1ccccc1[N+](=O)[O-] ZINC000347845836 153688445 /nfs/dbraw/zinc/68/84/45/153688445.db2.gz KLTMQSHYCXYPAU-NSHDSACASA-N 1 0 277.324 1.253 20 5 CDBDRO CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C[C@@H](C)O ZINC000352222424 155034794 /nfs/dbraw/zinc/03/47/94/155034794.db2.gz QNJGGKHDQZOBQN-SECBINFHSA-N 1 0 286.303 1.945 20 5 CDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])nn1C)C(C)(C)C[NH+](C)C ZINC000356738726 157554898 /nfs/dbraw/zinc/55/48/98/157554898.db2.gz DUKQGWCFPMNVIK-SECBINFHSA-N 1 0 297.359 1.034 20 5 CDBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000359741387 158357872 /nfs/dbraw/zinc/35/78/72/158357872.db2.gz DZDZONUHROUSFP-SNVBAGLBSA-N 1 0 297.359 1.179 20 5 CDBDRO Cc1cccc(C(=O)N[C@@H](C[NH3+])C2CC2)c1[N+](=O)[O-] ZINC000087383961 292426014 /nfs/dbraw/zinc/42/60/14/292426014.db2.gz FGXYBKOBAUFUKZ-NSHDSACASA-N 1 0 263.297 1.370 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000372990284 160163575 /nfs/dbraw/zinc/16/35/75/160163575.db2.gz PBZBZZGHBFLDHG-GFCCVEGCSA-N 1 0 281.360 1.207 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000374412285 160284052 /nfs/dbraw/zinc/28/40/52/160284052.db2.gz RCHOPMVJMKFNMZ-WDEREUQCSA-N 1 0 280.328 1.187 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000070174850 286924931 /nfs/dbraw/zinc/92/49/31/286924931.db2.gz QNOKQAQDTDEABK-ZJUUUORDSA-N 1 0 250.302 1.553 20 5 CDBDRO Cc1cn[nH]c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000284227057 196008716 /nfs/dbraw/zinc/00/87/16/196008716.db2.gz YSPCQJGASMIYAU-UHFFFAOYSA-N 1 0 260.297 1.959 20 5 CDBDRO CN1CCO[C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000284319798 196029909 /nfs/dbraw/zinc/02/99/09/196029909.db2.gz AYCDDYYFCHXWRH-GJZGRUSLSA-N 1 0 291.351 1.500 20 5 CDBDRO COc1ccc(CNCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000021797953 171325119 /nfs/dbraw/zinc/32/51/19/171325119.db2.gz OWWJLZUHZOFFCT-UHFFFAOYSA-N 1 0 267.329 1.645 20 5 CDBDRO O=C(NCCC[NH+]1CCCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000284835841 196140565 /nfs/dbraw/zinc/14/05/65/196140565.db2.gz BPEHRWMUSWJFRM-UHFFFAOYSA-N 1 0 295.343 1.314 20 5 CDBDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284897664 196151953 /nfs/dbraw/zinc/15/19/53/196151953.db2.gz CBTMLSOGBYYJHF-UMNHJUIQSA-N 1 0 279.340 1.989 20 5 CDBDRO C[NH2+]CCCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000036280218 172570459 /nfs/dbraw/zinc/57/04/59/172570459.db2.gz UPJLZDPJZQIEEE-UHFFFAOYSA-N 1 0 251.286 1.243 20 5 CDBDRO CO[C@@H](C)CN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285702093 196371390 /nfs/dbraw/zinc/37/13/90/196371390.db2.gz OKJQXCSXTCNHTB-WDEREUQCSA-N 1 0 295.339 1.889 20 5 CDBDRO CO[C@H](C)CN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285702090 196371795 /nfs/dbraw/zinc/37/17/95/196371795.db2.gz OKJQXCSXTCNHTB-MNOVXSKESA-N 1 0 295.339 1.889 20 5 CDBDRO COC(C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000037394905 173175298 /nfs/dbraw/zinc/17/52/98/173175298.db2.gz ZXVHHIPGQNXDBD-VIFPVBQESA-N 1 0 254.286 1.864 20 5 CDBDRO CCOC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000286088586 196492829 /nfs/dbraw/zinc/49/28/29/196492829.db2.gz KNNJBEIRFLZNAI-ZDUSSCGKSA-N 1 0 297.355 1.407 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000040601823 174351390 /nfs/dbraw/zinc/35/13/90/174351390.db2.gz FJQSOZNSNJVHFC-SECBINFHSA-N 1 0 295.368 1.740 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000044528251 175193343 /nfs/dbraw/zinc/19/33/43/175193343.db2.gz RMBVCQOTEMWMLU-JTQLQIEISA-N 1 0 263.297 1.406 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000044558867 175203435 /nfs/dbraw/zinc/20/34/35/175203435.db2.gz BDLAYHRTQZUQGF-NSHDSACASA-N 1 0 292.339 1.347 20 5 CDBDRO CC(C)(O)C[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000070939776 176013945 /nfs/dbraw/zinc/01/39/45/176013945.db2.gz QMHXFGLHVUUOBI-UHFFFAOYSA-N 1 0 293.367 1.483 20 5 CDBDRO CS(=O)(=O)c1ccc(N[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000071397745 176151367 /nfs/dbraw/zinc/15/13/67/176151367.db2.gz NZBIUXLSSDXNIG-VIFPVBQESA-N 1 0 299.352 1.162 20 5 CDBDRO [NH3+]C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000313359772 260287356 /nfs/dbraw/zinc/28/73/56/260287356.db2.gz VQMWTNYFTSSVEO-GFCCVEGCSA-N 1 0 283.303 1.284 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000214392364 260292089 /nfs/dbraw/zinc/29/20/89/260292089.db2.gz ZPEZFQIGBDPJOB-IRBQFCFKSA-N 1 0 289.335 1.676 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000313694436 270325063 /nfs/dbraw/zinc/32/50/63/270325063.db2.gz FPFPUXJAZAMNMH-ANCZFUFASA-N 1 0 289.335 1.865 20 5 CDBDRO COC[C@@]1(CNc2ccc(F)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261712850 274047171 /nfs/dbraw/zinc/04/71/71/274047171.db2.gz JPVATSLNELFVKL-ZDUSSCGKSA-N 1 0 283.303 1.914 20 5 CDBDRO COc1cc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000156388254 274096972 /nfs/dbraw/zinc/09/69/72/274096972.db2.gz LAOBUMADPIXRSF-MNOVXSKESA-N 1 0 277.324 1.934 20 5 CDBDRO C[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251697925 274599580 /nfs/dbraw/zinc/59/95/80/274599580.db2.gz IQVHXYWKUPVIHE-IONNQARKSA-N 1 0 270.720 1.817 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163999560 274724357 /nfs/dbraw/zinc/72/43/57/274724357.db2.gz SHBUGVSSEDMSDJ-GXSJLCMTSA-N 1 0 264.329 1.719 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000158065175 274956203 /nfs/dbraw/zinc/95/62/03/274956203.db2.gz BICZSCFSESAYPS-SECBINFHSA-N 1 0 294.267 1.066 20 5 CDBDRO CC[NH+]1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000192760812 276202558 /nfs/dbraw/zinc/20/25/58/276202558.db2.gz WERYJXJRTXDFMY-UHFFFAOYSA-N 1 0 250.302 1.319 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000262431015 276270348 /nfs/dbraw/zinc/27/03/48/276270348.db2.gz DZQFWAOPODPEQP-SNVBAGLBSA-N 1 0 265.313 1.631 20 5 CDBDRO CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000269149350 276730696 /nfs/dbraw/zinc/73/06/96/276730696.db2.gz MODYSGYLAMLVRZ-CYBMUJFWSA-N 1 0 291.351 1.693 20 5 CDBDRO C[NH2+]CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417140652 277024671 /nfs/dbraw/zinc/02/46/71/277024671.db2.gz QDRGACOEEKKTTL-SECBINFHSA-N 1 0 266.301 1.174 20 5 CDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ncc([N+](=O)[O-])cn2)C1 ZINC000274023824 277182065 /nfs/dbraw/zinc/18/20/65/277182065.db2.gz WGUUPYVNKDDWCL-JQWIXIFHSA-N 1 0 277.328 1.305 20 5 CDBDRO CO[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000451501942 277306618 /nfs/dbraw/zinc/30/66/18/277306618.db2.gz OZUBRFCGLXWLAZ-VXGBXAGGSA-N 1 0 295.339 1.160 20 5 CDBDRO C[C@H]1CC[N@H+](C)CCN1c1ncccc1[N+](=O)[O-] ZINC000354089483 278366657 /nfs/dbraw/zinc/36/66/57/278366657.db2.gz DOAPMAUCCAXVNF-JTQLQIEISA-N 1 0 250.302 1.520 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000036976513 278368638 /nfs/dbraw/zinc/36/86/38/278368638.db2.gz FFLFGSXXJICYPW-ZWNOBZJWSA-N 1 0 277.324 1.914 20 5 CDBDRO Cc1cccc(C(=O)NCC(C)(C)[NH3+])c1[N+](=O)[O-] ZINC000122269637 278911870 /nfs/dbraw/zinc/91/18/70/278911870.db2.gz CPFSJEKFJBABIH-UHFFFAOYSA-N 1 0 251.286 1.370 20 5 CDBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000079694341 279239539 /nfs/dbraw/zinc/23/95/39/279239539.db2.gz AJHLPHYYOCNJIU-ZDUSSCGKSA-N 1 0 277.324 1.665 20 5 CDBDRO CSCC[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552521 279279304 /nfs/dbraw/zinc/27/93/04/279279304.db2.gz MUWYIEBUWIZPIO-UHFFFAOYSA-N 1 0 271.342 1.051 20 5 CDBDRO Cc1sc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237700565 279282661 /nfs/dbraw/zinc/28/26/61/279282661.db2.gz OEBGRTPSBMPSMB-RKDXNWHRSA-N 1 0 283.353 1.822 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000124767752 279458344 /nfs/dbraw/zinc/45/83/44/279458344.db2.gz HCKUBQZSJQLITC-RXNUUUNCSA-N 1 0 293.298 1.567 20 5 CDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000415388925 279630381 /nfs/dbraw/zinc/63/03/81/279630381.db2.gz SHZZBJNWQVRNSR-JTQLQIEISA-N 1 0 293.327 1.004 20 5 CDBDRO CC(C)C1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000232677015 280122141 /nfs/dbraw/zinc/12/21/41/280122141.db2.gz ALZCOFWNAOKOHU-LBPRGKRZSA-N 1 0 282.344 1.178 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@@H]1C[NH3+] ZINC000237528397 280178777 /nfs/dbraw/zinc/17/87/77/280178777.db2.gz VSFPVOHQFLWRAG-BXKDBHETSA-N 1 0 292.339 1.376 20 5 CDBDRO Cc1n[nH]c(C(=O)NCC[N@@H+]2CCCC2(C)C)c1[N+](=O)[O-] ZINC000457078114 280189247 /nfs/dbraw/zinc/18/92/47/280189247.db2.gz QFRRSJWRVJDOIG-UHFFFAOYSA-N 1 0 295.343 1.231 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000266191181 280376764 /nfs/dbraw/zinc/37/67/64/280376764.db2.gz BOTDTVDILVBZII-NSHDSACASA-N 1 0 260.297 1.440 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]3C[NH+](C)C[C@@H]3C2)n1 ZINC000362664688 280399704 /nfs/dbraw/zinc/39/97/04/280399704.db2.gz CFFMHGHUSGCITQ-VXGBXAGGSA-N 1 0 276.340 1.604 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+](C)CC1 ZINC000052812292 280665710 /nfs/dbraw/zinc/66/57/10/280665710.db2.gz VXZREUJODIVSPV-UHFFFAOYSA-N 1 0 250.302 1.804 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000272399618 281022000 /nfs/dbraw/zinc/02/20/00/281022000.db2.gz DNJKODBLEZSYIB-QWRGUYRKSA-N 1 0 292.339 1.707 20 5 CDBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1c([N+](=O)[O-])ncn1C ZINC000370056162 288299176 /nfs/dbraw/zinc/29/91/76/288299176.db2.gz OYVPLWGPRARDCP-NEPJUHHUSA-N 1 0 293.371 1.387 20 5 CDBDRO Cc1ccc(C[N@H+](C)CCN2CCCC2=O)cc1[N+](=O)[O-] ZINC000093320262 289057423 /nfs/dbraw/zinc/05/74/23/289057423.db2.gz KLHCYALAEDCVHG-UHFFFAOYSA-N 1 0 291.351 1.957 20 5 CDBDRO C[C@@H]1OCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000149669265 289070172 /nfs/dbraw/zinc/07/01/72/289070172.db2.gz FWBBPNBECQEBGP-GWCFXTLKSA-N 1 0 266.297 1.741 20 5 CDBDRO Cc1c(C(=O)NCCOCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000540845744 289460249 /nfs/dbraw/zinc/46/02/49/289460249.db2.gz JDCZWGYXQQGAIK-UHFFFAOYSA-N 1 0 295.339 1.211 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000568868241 294114476 /nfs/dbraw/zinc/11/44/76/294114476.db2.gz ZXWSGCMRPZRPMC-GHMZBOCLSA-N 1 0 295.339 1.606 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000365806447 294456698 /nfs/dbraw/zinc/45/66/98/294456698.db2.gz RGQACMZAQXICPH-GFCCVEGCSA-N 1 0 293.371 1.389 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2c[nH]cn2)c1 ZINC000574448239 295000848 /nfs/dbraw/zinc/00/08/48/295000848.db2.gz ZKGQFKZVLCXIEM-UHFFFAOYSA-N 1 0 296.308 1.736 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000574739682 295045674 /nfs/dbraw/zinc/04/56/74/295045674.db2.gz YJMRCQQOLPRESQ-NSHDSACASA-N 1 0 264.329 1.829 20 5 CDBDRO C[N@@H+]1CC[C@H](c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)C1 ZINC000350160106 316150553 /nfs/dbraw/zinc/15/05/53/316150553.db2.gz LJKCVNSQHJPGDR-VIFPVBQESA-N 1 0 289.295 1.383 20 5 CDBDRO CC(C)[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000575826609 317022311 /nfs/dbraw/zinc/02/23/11/317022311.db2.gz GTPSJEHWWDZCMF-FRRDWIJNSA-N 1 0 296.371 1.882 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1-c1nc(C2([NH3+])CCCC2)no1 ZINC000575922148 317039404 /nfs/dbraw/zinc/03/94/04/317039404.db2.gz GZJRFZHJDNRYQF-UHFFFAOYSA-N 1 0 277.284 1.711 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000382435943 323639669 /nfs/dbraw/zinc/63/96/69/323639669.db2.gz VQVVFMLYCCZZOD-XHSUHYBKSA-N 1 0 289.335 1.852 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000382450560 323641406 /nfs/dbraw/zinc/64/14/06/323641406.db2.gz DYDBDFBEUISSQY-LDYMZIIASA-N 1 0 281.287 1.591 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000382478355 323643406 /nfs/dbraw/zinc/64/34/06/323643406.db2.gz DOLABKJOMDEOQG-SFYZADRCSA-N 1 0 269.326 1.514 20 5 CDBDRO CCc1nc(CN(C)CCn2ccc([N+](=O)[O-])n2)cs1 ZINC000579785565 324277418 /nfs/dbraw/zinc/27/74/18/324277418.db2.gz BJFOWRYLLPISSY-UHFFFAOYSA-N 1 0 295.368 1.942 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccoc1 ZINC000580065508 324355718 /nfs/dbraw/zinc/35/57/18/324355718.db2.gz ZRPZJQQVCOLKIQ-LBPRGKRZSA-N 1 0 292.291 1.717 20 5 CDBDRO CCC[NH2+][C@@H](C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000581069012 324640641 /nfs/dbraw/zinc/64/06/41/324640641.db2.gz MDOMWYDQGFFEGU-NSHDSACASA-N 1 0 295.339 1.478 20 5 CDBDRO C[C@@H](CCCO)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000581488874 324761272 /nfs/dbraw/zinc/76/12/72/324761272.db2.gz CVIDBAUDTVCVAI-NWDGAFQWSA-N 1 0 298.339 1.085 20 5 CDBDRO CC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000582980293 325084315 /nfs/dbraw/zinc/08/43/15/325084315.db2.gz ZXOMTWPCOMSBPX-UHFFFAOYSA-N 1 0 280.328 1.385 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000583198301 325126133 /nfs/dbraw/zinc/12/61/33/325126133.db2.gz ASMHRZOWWGVINR-UHFFFAOYSA-N 1 0 295.339 1.214 20 5 CDBDRO CN(c1ncc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@H+](C)C1 ZINC000583486595 325185052 /nfs/dbraw/zinc/18/50/52/325185052.db2.gz OLXZBUZRYMTHHC-SECBINFHSA-N 1 0 268.292 1.659 20 5 CDBDRO COC[C@H](C)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000584167687 327054971 /nfs/dbraw/zinc/05/49/71/327054971.db2.gz DGXXTELXRFRFDO-DGCLKSJQSA-N 1 0 298.339 1.207 20 5 CDBDRO CC(C)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000273620247 482739571 /nfs/dbraw/zinc/73/95/71/482739571.db2.gz OJDNENLXJLLIFV-UHFFFAOYSA-N 1 0 279.344 1.917 20 5 CDBDRO COc1cc([N+](=O)[O-])c(-n2ccnc2C(N)=[NH2+])cc1F ZINC001168417592 1161037318 /nfs/dbraw/zinc/03/73/18/1161037318.db2.gz JUMJNMCSHYNXDY-UHFFFAOYSA-N 1 0 279.231 1.212 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]3C[C@H]32)nc1C1C[NH2+]C1 ZINC001157151738 1162046999 /nfs/dbraw/zinc/04/69/99/1162046999.db2.gz MNBJVUONQDJFDP-WCBMZHEXSA-N 1 0 275.312 1.060 20 5 CDBDRO CC(C)[C@@H](CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000184371551 519795933 /nfs/dbraw/zinc/79/59/33/519795933.db2.gz BDSLSPOGBXLBJH-CHWSQXEVSA-N 1 0 268.313 1.235 20 5 CDBDRO CCOCC[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000062367564 519922113 /nfs/dbraw/zinc/92/21/13/519922113.db2.gz HUYOPCWLLOFJGX-UHFFFAOYSA-N 1 0 293.367 1.749 20 5 CDBDRO CC[NH+](CC)CCCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000055420255 520619420 /nfs/dbraw/zinc/61/94/20/520619420.db2.gz JXXQDADIGQFFCB-UHFFFAOYSA-N 1 0 294.355 1.639 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000148773005 522029741 /nfs/dbraw/zinc/02/97/41/522029741.db2.gz GXOAEUAEUHICLU-SNVBAGLBSA-N 1 0 265.313 1.109 20 5 CDBDRO COC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000279011087 522354531 /nfs/dbraw/zinc/35/45/31/522354531.db2.gz FICGJIYTUCBRMP-HUUCEWRRSA-N 1 0 294.351 1.921 20 5 CDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC(O)C1 ZINC000337313482 522680938 /nfs/dbraw/zinc/68/09/38/522680938.db2.gz GYBQEQKJGZKBFD-UHFFFAOYSA-N 1 0 293.323 1.379 20 5 CDBDRO CC[C@H]([NH2+][C@H]1CCC(=O)NC1)c1cccc([N+](=O)[O-])c1 ZINC000111018590 522751289 /nfs/dbraw/zinc/75/12/89/522751289.db2.gz IGWSPPRNDWICLV-AAEUAGOBSA-N 1 0 277.324 1.914 20 5 CDBDRO C[NH+]1CCC(CCNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000156424435 523760467 /nfs/dbraw/zinc/76/04/67/523760467.db2.gz XTDFBYUCZTYEIP-UHFFFAOYSA-N 1 0 281.312 1.650 20 5 CDBDRO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000235662077 524523948 /nfs/dbraw/zinc/52/39/48/524523948.db2.gz HNAVCVHCUPPTQD-CPCISQLKSA-N 1 0 267.260 1.153 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000235364365 524854308 /nfs/dbraw/zinc/85/43/08/524854308.db2.gz HNAVCVHCUPPTQD-HQJQHLMTSA-N 1 0 267.260 1.153 20 5 CDBDRO C[C@@H]([NH3+])C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000157857691 524985866 /nfs/dbraw/zinc/98/58/66/524985866.db2.gz DCIIBVFBAPDWGU-SECBINFHSA-N 1 0 263.297 1.433 20 5 CDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCC[NH2+]C1 ZINC000050162349 525333656 /nfs/dbraw/zinc/33/36/56/525333656.db2.gz SWXKRWZMTCVSGA-BDAKNGLRSA-N 1 0 266.301 1.041 20 5 CDBDRO CSCC[C@H]([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943172 525580655 /nfs/dbraw/zinc/58/06/55/525580655.db2.gz DCGJNAWGHMTULG-NSHDSACASA-N 1 0 283.353 1.291 20 5 CDBDRO Cc1c(C[NH2+]C[C@H]2CN(C)CCN2C)cccc1[N+](=O)[O-] ZINC000068804020 525726018 /nfs/dbraw/zinc/72/60/18/525726018.db2.gz BEBAGZMBHNTAEF-AWEZNQCLSA-N 1 0 292.383 1.239 20 5 CDBDRO NC(=O)C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000367983298 526910124 /nfs/dbraw/zinc/91/01/24/526910124.db2.gz OKVODQLLPMXIPG-LLVKDONJSA-N 1 0 263.297 1.292 20 5 CDBDRO O=C(NCC1=CC[NH2+]CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000189293030 527587555 /nfs/dbraw/zinc/58/75/55/527587555.db2.gz OLGQLZIPCIBFEP-UHFFFAOYSA-N 1 0 295.726 1.898 20 5 CDBDRO CC(C)([NH3+])CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000261977973 535199688 /nfs/dbraw/zinc/19/96/88/535199688.db2.gz QYHVHIRBULPNPH-UHFFFAOYSA-N 1 0 278.356 1.454 20 5 CDBDRO CCCN(C(=O)c1[nH]nc(C)c1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000269237718 535243388 /nfs/dbraw/zinc/24/33/88/535243388.db2.gz LPDYOMICJYIRAH-UHFFFAOYSA-N 1 0 295.343 1.231 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000423984675 535426972 /nfs/dbraw/zinc/42/69/72/535426972.db2.gz UQICAFPQAUWRRN-JOYOIKCWSA-N 1 0 293.323 1.413 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000422776339 535428327 /nfs/dbraw/zinc/42/83/27/535428327.db2.gz ADSQIOLLZDSPNJ-JTQLQIEISA-N 1 0 293.323 1.475 20 5 CDBDRO CC[NH+](CC)C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176271231 535584892 /nfs/dbraw/zinc/58/48/92/535584892.db2.gz YFAXXXNVAORBNX-ZDUSSCGKSA-N 1 0 295.387 1.455 20 5 CDBDRO CCc1[nH]nc(-c2nc(C3([NH3+])CCC3)no2)c1[N+](=O)[O-] ZINC000414628766 535997283 /nfs/dbraw/zinc/99/72/83/535997283.db2.gz OWWLYPAJUKMZDB-UHFFFAOYSA-N 1 0 278.272 1.268 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423730256 536461575 /nfs/dbraw/zinc/46/15/75/536461575.db2.gz WEBFMRGHTMHYCG-NSHDSACASA-N 1 0 291.351 1.941 20 5 CDBDRO CC[NH+](CC)CCOC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000772076734 575658942 /nfs/dbraw/zinc/65/89/42/575658942.db2.gz SNXQWHWAMQXQNI-UHFFFAOYSA-N 1 0 298.343 1.411 20 5 CDBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)OCC[NH+]1CCCCC1 ZINC000763289969 576729427 /nfs/dbraw/zinc/72/94/27/576729427.db2.gz YANKGHYURZTGET-UHFFFAOYSA-N 1 0 293.323 1.820 20 5 CDBDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000746384314 576773974 /nfs/dbraw/zinc/77/39/74/576773974.db2.gz YHWIZPARDKVUFS-CYBMUJFWSA-N 1 0 293.371 1.413 20 5 CDBDRO C[C@@H]1COCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750117450 576976457 /nfs/dbraw/zinc/97/64/57/576976457.db2.gz WCBLSUDOLFXBKK-BXUZGUMPSA-N 1 0 280.324 1.739 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2c([N+](=O)[O-])cnn2C)C1 ZINC000892119907 617492037 /nfs/dbraw/zinc/49/20/37/617492037.db2.gz HVRDNCUZPWCNFX-NSHDSACASA-N 1 0 281.360 1.861 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782637110 617536255 /nfs/dbraw/zinc/53/62/55/617536255.db2.gz ZUDGSZRUICEEPA-UHIISALHSA-N 1 0 262.309 1.970 20 5 CDBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000893329418 617583274 /nfs/dbraw/zinc/58/32/74/617583274.db2.gz QOZHIBZJJCFLTN-PWSUYJOCSA-N 1 0 298.364 1.508 20 5 CDBDRO CO[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591230 617689261 /nfs/dbraw/zinc/68/92/61/617689261.db2.gz HTZOENVAZMZTLF-STQMWFEESA-N 1 0 266.297 1.349 20 5 CDBDRO C[C@H](COC(=O)C12CCC[NH+](CCC1)C2)[N+](=O)[O-] ZINC000893045590 618093765 /nfs/dbraw/zinc/09/37/65/618093765.db2.gz YHIVNDYFGORKPY-SNVBAGLBSA-N 1 0 256.302 1.071 20 5 CDBDRO CC(=O)OC[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000893067144 618119018 /nfs/dbraw/zinc/11/90/18/618119018.db2.gz LDXKKMHTMVGLOL-SNVBAGLBSA-N 1 0 266.297 1.679 20 5 CDBDRO C[N@@H+]1C[C@H]2CCN(c3ncc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000893935600 618195744 /nfs/dbraw/zinc/19/57/44/618195744.db2.gz RDJJWBKWVWSIHN-KCJUWKMLSA-N 1 0 266.276 1.269 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@H]2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000894041462 618284497 /nfs/dbraw/zinc/28/44/97/618284497.db2.gz CEXPDVSCJKPHOI-ONGXEEELSA-N 1 0 296.323 1.824 20 5 CDBDRO C[C@@H]1CC[N@H+](CCNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000826721992 618609068 /nfs/dbraw/zinc/60/90/68/618609068.db2.gz MITVWISEXCJMCK-LLVKDONJSA-N 1 0 271.361 1.280 20 5 CDBDRO CCC(CC)[NH2+]CCNc1c([N+](=O)[O-])cnn1C ZINC000894414750 618872688 /nfs/dbraw/zinc/87/26/88/618872688.db2.gz VFVRUHUTVPWVHG-UHFFFAOYSA-N 1 0 255.322 1.518 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000894521153 618934470 /nfs/dbraw/zinc/93/44/70/618934470.db2.gz TVBJCQNCJCCPMN-JTQLQIEISA-N 1 0 282.296 1.578 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CCCC[N@H+](C)C1 ZINC000894728385 619031977 /nfs/dbraw/zinc/03/19/77/619031977.db2.gz HUZZHRPHIXGOOE-JTQLQIEISA-N 1 0 267.333 1.472 20 5 CDBDRO C[C@H](Nc1sccc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC000895246683 619492172 /nfs/dbraw/zinc/49/21/72/619492172.db2.gz PBKSSZDKBGQNOW-ONGXEEELSA-N 1 0 284.385 1.703 20 5 CDBDRO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000895317454 619545406 /nfs/dbraw/zinc/54/54/06/619545406.db2.gz OJMMTPCHDDHQCG-LLVKDONJSA-N 1 0 297.742 1.862 20 5 CDBDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000895518010 619707217 /nfs/dbraw/zinc/70/72/17/619707217.db2.gz NHFNJBMGKZMXGH-GFCCVEGCSA-N 1 0 297.742 1.959 20 5 CDBDRO CC[C@H](CN1CCOCC1)Nc1ccc([N+](=O)[O-])cn1 ZINC000895800614 619850921 /nfs/dbraw/zinc/85/09/21/619850921.db2.gz DDVQSKYSWWFDKB-LLVKDONJSA-N 1 0 280.328 1.513 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@@H]2COC[C@@H]2C)c1[N+](=O)[O-] ZINC000896733875 620217045 /nfs/dbraw/zinc/21/70/45/620217045.db2.gz SRPCRIYXCDTRSS-WCBMZHEXSA-N 1 0 282.296 1.434 20 5 CDBDRO CC[C@H]([NH2+]CCCON)c1cccc([N+](=O)[O-])c1 ZINC000902418328 624784114 /nfs/dbraw/zinc/78/41/14/624784114.db2.gz DMIXPZHZMNSIFW-LBPRGKRZSA-N 1 0 253.302 1.916 20 5 CDBDRO [NH3+]C1(CNCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000904449562 626300136 /nfs/dbraw/zinc/30/01/36/626300136.db2.gz KMYQDKMULMJQLR-UHFFFAOYSA-N 1 0 255.705 1.829 20 5 CDBDRO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[N+](=O)[O-] ZINC000905274705 626730754 /nfs/dbraw/zinc/73/07/54/626730754.db2.gz PWXAVLZOGBIKOF-SNVBAGLBSA-N 1 0 275.349 1.546 20 5 CDBDRO Cc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1[N+](=O)[O-] ZINC000911906411 629639485 /nfs/dbraw/zinc/63/94/85/629639485.db2.gz DSSUXEGGWFWNJV-MVWJERBFSA-N 1 0 275.308 1.982 20 5 CDBDRO COc1ccccc1C[C@H](C)[N@H+](C)CC[N+](=O)[O-] ZINC000929726201 630712810 /nfs/dbraw/zinc/71/28/10/630712810.db2.gz QGGXSQOBQJYGIG-NSHDSACASA-N 1 0 252.314 1.835 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]CC2OCCO2)c([N+](=O)[O-])c1 ZINC001170304234 1162329105 /nfs/dbraw/zinc/32/91/05/1162329105.db2.gz AADUSAOSIKUERQ-JTQLQIEISA-N 1 0 296.323 1.497 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]CC(=O)CCO)c([N+](=O)[O-])c1 ZINC001170315959 1162335853 /nfs/dbraw/zinc/33/58/53/1162335853.db2.gz ZQMGVAIRYFWIJQ-JTQLQIEISA-N 1 0 296.323 1.076 20 5 CDBDRO Cc1c(C)c(-n2cc3c(n2)CC[C@H]([NH3+])C3)ncc1[N+](=O)[O-] ZINC001157990832 1162660202 /nfs/dbraw/zinc/66/02/02/1162660202.db2.gz YWBMJNZUSOKCQY-NSHDSACASA-N 1 0 287.323 1.608 20 5 CDBDRO COC(=O)c1cc(C)nc(N[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001167275326 1158554654 /nfs/dbraw/zinc/55/46/54/1158554654.db2.gz MNTSSFQJBPGLSJ-VIFPVBQESA-N 1 0 294.311 1.201 20 5 CDBDRO [NH3+]CCN(c1cccnc1)c1cc([N+](=O)[O-])c2nncn2c1 ZINC001168836940 1161990012 /nfs/dbraw/zinc/99/00/12/1161990012.db2.gz BORASRCTCHVATG-UHFFFAOYSA-N 1 0 299.294 1.129 20 5 CDBDRO COc1cc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)ccc1O ZINC001168967395 1161996496 /nfs/dbraw/zinc/99/64/96/1161996496.db2.gz PPCQZKSRJOEANX-NEPJUHHUSA-N 1 0 280.324 1.936 20 5 CDBDRO CC[C@H]1COCCN1CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000873189794 1165520272 /nfs/dbraw/zinc/52/02/72/1165520272.db2.gz YUVIWOCUWUIHJU-AWEZNQCLSA-N 1 0 293.367 1.795 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000876836706 1165925733 /nfs/dbraw/zinc/92/57/33/1165925733.db2.gz HSEQYYGKEABTSS-SNVBAGLBSA-N 1 0 279.340 1.939 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1N1C[C@H]([NH3+])Cc2ccccc21 ZINC001155307071 1167122873 /nfs/dbraw/zinc/12/28/73/1167122873.db2.gz PNXOIHHKFPIQSP-SNVBAGLBSA-N 1 0 285.307 1.594 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(N[C@@H]2COC[C@@H]2[NH3+])nc1Cl ZINC001155346185 1167136308 /nfs/dbraw/zinc/13/63/08/1167136308.db2.gz WPDSTPHBWUESNI-NKWVEPMBSA-N 1 0 272.692 1.090 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001155635264 1167270987 /nfs/dbraw/zinc/27/09/87/1167270987.db2.gz HUGGFMUUIYWVQX-WEDXCCLWSA-N 1 0 284.703 1.184 20 5 CDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)CN ZINC001575923731 1171297461 /nfs/dbraw/zinc/29/74/61/1171297461.db2.gz OEMANRHIPRAFHW-JTQLQIEISA-N 1 0 294.355 1.639 20 5 CDBDRO C[C@H](N[C@@H](C)[C@@H]1C[NH2+]CCO1)c1ccccc1[N+](=O)[O-] ZINC001576252236 1171371858 /nfs/dbraw/zinc/37/18/58/1171371858.db2.gz QHPSWQDZMXXWPP-MJVIPROJSA-N 1 0 279.340 1.622 20 5 CDBDRO Cc1cc(NC(=O)NCC23CC(C2)C[NH2+]3)cc([N+](=O)[O-])c1 ZINC001579631410 1172229229 /nfs/dbraw/zinc/22/92/29/1172229229.db2.gz RGSJWZVPEHITQL-UHFFFAOYSA-N 1 0 290.323 1.777 20 5 CDBDRO CCN(CC[NH2+]CC1CCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001754045569 1185441447 /nfs/dbraw/zinc/44/14/47/1185441447.db2.gz TYTXJBUDFUXJBB-CHWSQXEVSA-N 1 0 283.372 1.280 20 5 CDBDRO [NH3+][C@@H]1C[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000404468621 1186520223 /nfs/dbraw/zinc/52/02/23/1186520223.db2.gz CHTIZUKGJHJFBP-NEPJUHHUSA-N 1 0 275.308 1.595 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC000304553482 1186631887 /nfs/dbraw/zinc/63/18/87/1186631887.db2.gz PEZZJVJCLMVVDP-SSDOTTSWSA-N 1 0 257.677 1.726 20 5 CDBDRO [NH3+]C[C@@H](NCc1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000886839409 697681067 /nfs/dbraw/zinc/68/10/67/697681067.db2.gz DLAPSHYKHAWQJG-CYBMUJFWSA-N 1 0 278.356 1.987 20 5 CDBDRO CO[C@@H](CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000877522248 697812043 /nfs/dbraw/zinc/81/20/43/697812043.db2.gz MLAJGVJVVQLXQX-AWEZNQCLSA-N 1 0 279.340 1.785 20 5 CDBDRO CCN(C)C(=O)[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819257564 697814104 /nfs/dbraw/zinc/81/41/04/697814104.db2.gz DQBRFWKLHZLGNP-GXFFZTMASA-N 1 0 295.339 1.085 20 5 CDBDRO CS(=O)(=O)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848525652 697818123 /nfs/dbraw/zinc/81/81/23/697818123.db2.gz OXTGIKXAIOSOGP-NSHDSACASA-N 1 0 284.337 1.216 20 5 CDBDRO CO[C@H]1CCN(Cn2nc(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000840126539 697843006 /nfs/dbraw/zinc/84/30/06/697843006.db2.gz PNOQEBYELSNRHW-SKDRFNHKSA-N 1 0 282.344 1.722 20 5 CDBDRO COc1cccc(N2CCC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000135050241 697845273 /nfs/dbraw/zinc/84/52/73/697845273.db2.gz ZGPKAETVMIEMJW-SNVBAGLBSA-N 1 0 265.313 1.779 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](CO)C[C@@H]1CCCO1 ZINC000886229076 697849676 /nfs/dbraw/zinc/84/96/76/697849676.db2.gz KUSFWESHZZESKQ-OLZOCXBDSA-N 1 0 280.324 1.614 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000886279221 697912594 /nfs/dbraw/zinc/91/25/94/697912594.db2.gz STUOIRKIPIRUQT-AWEZNQCLSA-N 1 0 277.324 1.727 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000886310003 697948497 /nfs/dbraw/zinc/94/84/97/697948497.db2.gz ASFPDMAWAVECSP-YPMHNXCESA-N 1 0 263.297 1.791 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC[C@H]1O ZINC000850474135 697979902 /nfs/dbraw/zinc/97/99/02/697979902.db2.gz JIBUXUNMVNYEMV-XXILOJSOSA-N 1 0 266.297 1.777 20 5 CDBDRO Cc1c(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000873119861 698023806 /nfs/dbraw/zinc/02/38/06/698023806.db2.gz QFMHPMNOIPRSEP-KBPBESRZSA-N 1 0 294.351 1.638 20 5 CDBDRO Cc1c(C[NH2+]C[C@@]2(O)CCSC2)cccc1[N+](=O)[O-] ZINC000702312601 698037254 /nfs/dbraw/zinc/03/72/54/698037254.db2.gz YCHFRKJYYCOMDQ-ZDUSSCGKSA-N 1 0 282.365 1.861 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923357096 698053811 /nfs/dbraw/zinc/05/38/11/698053811.db2.gz WBBLLIAAKNHJSL-KGLIPLIRSA-N 1 0 279.340 1.299 20 5 CDBDRO CO[C@H](C)C[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796642021 698078708 /nfs/dbraw/zinc/07/87/08/698078708.db2.gz WFMOGVMOZCJAKQ-ZWNOBZJWSA-N 1 0 268.313 1.595 20 5 CDBDRO CO[C@@]1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000819235624 698205910 /nfs/dbraw/zinc/20/59/10/698205910.db2.gz RBCZWWMDEOPJHR-ZIAGYGMSSA-N 1 0 296.323 1.023 20 5 CDBDRO Cc1c(C[NH2+]C[C@H](CO)[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000873119863 698229196 /nfs/dbraw/zinc/22/91/96/698229196.db2.gz QFMHPMNOIPRSEP-UONOGXRCSA-N 1 0 294.351 1.638 20 5 CDBDRO CC[S@@](=O)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848532133 698290919 /nfs/dbraw/zinc/29/09/19/698290919.db2.gz ZVLBZXCZAWVZFQ-CWTRNNRKSA-N 1 0 282.365 1.940 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](CF)C1 ZINC000880238462 698291144 /nfs/dbraw/zinc/29/11/44/698291144.db2.gz HIHJFASBZKZUSQ-NSHDSACASA-N 1 0 270.308 1.781 20 5 CDBDRO CC[NH2+]Cc1cn(Cc2cc(F)ccc2[N+](=O)[O-])nn1 ZINC000090296327 698446243 /nfs/dbraw/zinc/44/62/43/698446243.db2.gz GHRMBMBHGJNUBN-UHFFFAOYSA-N 1 0 279.275 1.483 20 5 CDBDRO O=C(OCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000787971745 698473124 /nfs/dbraw/zinc/47/31/24/698473124.db2.gz BUKDWYWNMIWURR-UHFFFAOYSA-N 1 0 268.269 1.831 20 5 CDBDRO Cc1nn(CN2CC[C@@H]([NH+]3CC=CC3)C2)c(C)c1[N+](=O)[O-] ZINC000172933299 698630687 /nfs/dbraw/zinc/63/06/87/698630687.db2.gz RGWMYEXPHPTQRZ-CYBMUJFWSA-N 1 0 291.355 1.312 20 5 CDBDRO CCc1cc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)on1 ZINC000819094222 698752062 /nfs/dbraw/zinc/75/20/62/698752062.db2.gz ILLCLIHTUUYMAP-CQSZACIVSA-N 1 0 291.307 1.968 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(Cn3nccc3[N+](=O)[O-])CC[C@@H]21 ZINC000164754314 698754747 /nfs/dbraw/zinc/75/47/47/698754747.db2.gz HBHNNMFBTHPEDP-RYUDHWBXSA-N 1 0 279.344 1.165 20 5 CDBDRO C[C@H]1COC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000710893378 698779082 /nfs/dbraw/zinc/77/90/82/698779082.db2.gz PTATWYIHCYPRAE-QPUJVOFHSA-N 1 0 254.261 1.858 20 5 CDBDRO C[C@H]1CC[C@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000877832033 698797210 /nfs/dbraw/zinc/79/72/10/698797210.db2.gz FHHHEDBFUDAQGF-OBCWZRDOSA-N 1 0 294.351 1.767 20 5 CDBDRO C[C@H]([NH2+]CCN1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000775188264 698801081 /nfs/dbraw/zinc/80/10/81/698801081.db2.gz YLDVAZAVPKFJST-JTQLQIEISA-N 1 0 279.296 1.698 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCN1C ZINC000928557715 698802140 /nfs/dbraw/zinc/80/21/40/698802140.db2.gz QGYCDTADGOONBW-GFCCVEGCSA-N 1 0 291.351 1.954 20 5 CDBDRO C[C@]([NH3+])(C(=O)NCC1(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000867953164 698806732 /nfs/dbraw/zinc/80/67/32/698806732.db2.gz OZURSLJTFZFPFA-CQSZACIVSA-N 1 0 277.324 1.685 20 5 CDBDRO CC[NH+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000062351032 698814227 /nfs/dbraw/zinc/81/42/27/698814227.db2.gz STWVAHDWEXJRST-CQSZACIVSA-N 1 0 279.340 1.266 20 5 CDBDRO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@]1(C)CO ZINC000852702187 698825111 /nfs/dbraw/zinc/82/51/11/698825111.db2.gz HXLGALBLARMVQO-BYCMXARLSA-N 1 0 294.351 1.579 20 5 CDBDRO O=[N+]([O-])CC[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000798196684 698839388 /nfs/dbraw/zinc/83/93/88/698839388.db2.gz MCGVDWPTSLQCQI-CYBMUJFWSA-N 1 0 272.345 1.313 20 5 CDBDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]CC[N+](=O)[O-])ccc2NC1=O ZINC000791054527 698866114 /nfs/dbraw/zinc/86/61/14/698866114.db2.gz KARFJJDGADNJKF-JOYOIKCWSA-N 1 0 293.323 1.723 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000882487192 698917642 /nfs/dbraw/zinc/91/76/42/698917642.db2.gz BKJNJNARRVPOLE-CYBMUJFWSA-N 1 0 277.324 1.348 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(Cl)nn2)c1 ZINC000877095662 698956705 /nfs/dbraw/zinc/95/67/05/698956705.db2.gz SKPXKQPEHMZBGO-UHFFFAOYSA-N 1 0 282.691 1.025 20 5 CDBDRO Cc1c(C[NH2+][C@H](C)C(=O)NCCF)cccc1[N+](=O)[O-] ZINC000873121526 698970051 /nfs/dbraw/zinc/97/00/51/698970051.db2.gz JCMMYJQZXJIEAE-SNVBAGLBSA-N 1 0 283.303 1.467 20 5 CDBDRO CCC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)COC1 ZINC000819356969 698970970 /nfs/dbraw/zinc/97/09/70/698970970.db2.gz OBZSSNDBEDSANO-ZDUSSCGKSA-N 1 0 280.324 1.644 20 5 CDBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886130176 699004632 /nfs/dbraw/zinc/00/46/32/699004632.db2.gz XMWUSICQSORWON-ZJUUUORDSA-N 1 0 281.312 1.667 20 5 CDBDRO Cc1nn(CN(C)C[C@H]2CCC[N@@H+]2C)c(C)c1[N+](=O)[O-] ZINC000817374653 704818872 /nfs/dbraw/zinc/81/88/72/704818872.db2.gz UOCVNDOXMMZWKG-GFCCVEGCSA-N 1 0 281.360 1.392 20 5 CDBDRO COC(=O)N(C)CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000850389700 704837531 /nfs/dbraw/zinc/83/75/31/704837531.db2.gz DZUBRVFTEIBKQB-FNORWQNLSA-N 1 0 293.323 1.896 20 5 CDBDRO CNc1c(C(=O)NC[C@H]2CCN2C)cccc1[N+](=O)[O-] ZINC000712599534 704848590 /nfs/dbraw/zinc/84/85/90/704848590.db2.gz ULXSXHUSANKAIX-SECBINFHSA-N 1 0 278.312 1.070 20 5 CDBDRO C[NH2+]Cc1cn(Cc2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000714049495 704863265 /nfs/dbraw/zinc/86/32/65/704863265.db2.gz SDCPZOSWZFITEI-UHFFFAOYSA-N 1 0 261.285 1.262 20 5 CDBDRO CCN1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1=O ZINC000873132856 704887047 /nfs/dbraw/zinc/88/70/47/704887047.db2.gz IHMCPRABRMYGJH-LBPRGKRZSA-N 1 0 291.351 1.861 20 5 CDBDRO CCN(CC)C(=O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000228808321 704998318 /nfs/dbraw/zinc/99/83/18/704998318.db2.gz VCOUOWPXQVWYCM-UHFFFAOYSA-N 1 0 279.340 1.861 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2nc(Cl)ncc2[N+](=O)[O-])C1 ZINC000234259154 721885703 /nfs/dbraw/zinc/88/57/03/721885703.db2.gz HRYDTFIAKKIQFX-MRVPVSSYSA-N 1 0 285.735 1.569 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001164634363 719221929 /nfs/dbraw/zinc/22/19/29/719221929.db2.gz GOUAKPHYEVVEQX-VHSXEESVSA-N 1 0 289.339 2.000 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601110710 721887841 /nfs/dbraw/zinc/88/78/41/721887841.db2.gz LCHPYIWQWPVUOQ-SNVBAGLBSA-N 1 0 268.292 1.659 20 5 CDBDRO [NH3+]C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000087383995 848071487 /nfs/dbraw/zinc/07/14/87/848071487.db2.gz FALZSZVZOUFGMC-NSHDSACASA-N 1 0 264.285 1.454 20 5 CDBDRO COC[C@@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000850466437 848099631 /nfs/dbraw/zinc/09/96/31/848099631.db2.gz HDWHOUVRLQEBKO-KOLCDFICSA-N 1 0 284.312 1.261 20 5 CDBDRO C[C@]([NH3+])(C(=O)N[C@H]1C=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000867984431 848108630 /nfs/dbraw/zinc/10/86/30/848108630.db2.gz PHRLZXZFSTZCEE-SMDDNHRTSA-N 1 0 275.308 1.604 20 5 CDBDRO Cc1c(C[NH2+][C@@H]2CCOC[C@H]2O)cccc1[N+](=O)[O-] ZINC000706976670 848177850 /nfs/dbraw/zinc/17/78/50/848177850.db2.gz MOWMSQRKPHXKFI-DGCLKSJQSA-N 1 0 266.297 1.143 20 5 CDBDRO O=[N+]([O-])c1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000107571265 848206364 /nfs/dbraw/zinc/20/63/64/848206364.db2.gz URGNPGPYUPCIBJ-DTORHVGOSA-N 1 0 267.716 1.904 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CSC3)CC2)cn1 ZINC000877634346 848584520 /nfs/dbraw/zinc/58/45/20/848584520.db2.gz NHBVPQLSXUKRED-UHFFFAOYSA-N 1 0 294.380 1.664 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000886229015 848612655 /nfs/dbraw/zinc/61/26/55/848612655.db2.gz JMEWSLGRIXQEMD-KGLIPLIRSA-N 1 0 294.351 1.923 20 5 CDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000887930289 848659564 /nfs/dbraw/zinc/65/95/64/848659564.db2.gz AZSGJKUYIQQKMW-YGRLFVJLSA-N 1 0 290.323 1.014 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@]3(CCOC3)C2)cc1 ZINC000776590384 848715814 /nfs/dbraw/zinc/71/58/14/848715814.db2.gz DFRRDJSHYHWWDV-CABCVRRESA-N 1 0 292.335 1.741 20 5 CDBDRO CN1CC[C@@H]1CNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000928570584 848742290 /nfs/dbraw/zinc/74/22/90/848742290.db2.gz WOWUAHGWOORFEA-SNVBAGLBSA-N 1 0 295.364 1.507 20 5 CDBDRO C[N@@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C(C)(C)C1 ZINC000828145298 848838194 /nfs/dbraw/zinc/83/81/94/848838194.db2.gz BBDRRJWPRWSGEQ-UHFFFAOYSA-N 1 0 271.361 1.375 20 5 CDBDRO C[C@@H]([NH2+][C@H](CO)CCF)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846210613 848856143 /nfs/dbraw/zinc/85/61/43/848856143.db2.gz ZQUAVZNPHQEGRN-SCZZXKLOSA-N 1 0 271.292 1.548 20 5 CDBDRO COCCC[N@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000066371346 848857499 /nfs/dbraw/zinc/85/74/99/848857499.db2.gz VCXOSVZWTNIQBY-UHFFFAOYSA-N 1 0 278.312 1.870 20 5 CDBDRO COCC[N@H+](C)CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804422361 848860783 /nfs/dbraw/zinc/86/07/83/848860783.db2.gz OCROBWJPTFAIHF-UHFFFAOYSA-N 1 0 298.299 1.493 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000070172214 848865555 /nfs/dbraw/zinc/86/55/55/848865555.db2.gz HMSXMGLWYCCHMM-ZJUUUORDSA-N 1 0 280.328 1.133 20 5 CDBDRO Cc1cc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000841867743 848909588 /nfs/dbraw/zinc/90/95/88/848909588.db2.gz WVNWKORYHHXFEF-CQSZACIVSA-N 1 0 290.323 1.460 20 5 CDBDRO O=C(OCC[NH+]1CCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000861385930 848972805 /nfs/dbraw/zinc/97/28/05/848972805.db2.gz FJWMYVPLSHEYJZ-UHFFFAOYSA-N 1 0 289.291 1.939 20 5 CDBDRO C[N@@H+](Cc1cccnc1[N+](=O)[O-])CC1CCOCC1 ZINC000886100517 849006709 /nfs/dbraw/zinc/00/67/09/849006709.db2.gz PDCGZMWFXFJBCH-UHFFFAOYSA-N 1 0 265.313 1.848 20 5 CDBDRO Cc1cc(F)cc(C(=O)NCC2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000837303844 849009700 /nfs/dbraw/zinc/00/97/00/849009700.db2.gz XLOAHIPPENJJGM-UHFFFAOYSA-N 1 0 295.314 1.772 20 5 CDBDRO C[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000886279395 849136393 /nfs/dbraw/zinc/13/63/93/849136393.db2.gz XVPPWWUZCFRAPS-IAZYJMLFSA-N 1 0 265.313 1.439 20 5 CDBDRO C[NH+]1CCC(C)(CNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000828076603 849142806 /nfs/dbraw/zinc/14/28/06/849142806.db2.gz BBMXVRCMXHQVEA-UHFFFAOYSA-N 1 0 285.388 1.670 20 5 CDBDRO COC[C@H](C)NC(=[NH2+])NCc1cccc([N+](=O)[O-])c1C ZINC000849021820 849410488 /nfs/dbraw/zinc/41/04/88/849410488.db2.gz KTNRERCWECXXQJ-VIFPVBQESA-N 1 0 280.328 1.552 20 5 CDBDRO O=[N+]([O-])c1ncccc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000134497487 849469298 /nfs/dbraw/zinc/46/92/98/849469298.db2.gz IRLPPLVZJJZTDZ-GHMZBOCLSA-N 1 0 278.312 1.265 20 5 CDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000831944505 849630597 /nfs/dbraw/zinc/63/05/97/849630597.db2.gz XQUJNLQERIHUAH-LBPRGKRZSA-N 1 0 285.388 1.813 20 5 CDBDRO CC(=O)NCCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866220006 849712180 /nfs/dbraw/zinc/71/21/80/849712180.db2.gz CCKFYNPRMAMMTH-JTQLQIEISA-N 1 0 297.330 1.781 20 5 CDBDRO CON(C)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000850478164 849800127 /nfs/dbraw/zinc/80/01/27/849800127.db2.gz OXLYUDLJCCHJPY-GFCCVEGCSA-N 1 0 265.313 1.665 20 5 CDBDRO C[C@@H]1C[C@H](O)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832717335 849847936 /nfs/dbraw/zinc/84/79/36/849847936.db2.gz FNGRPGGVCBKKQC-DDTOSNHZSA-N 1 0 280.324 1.331 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000877007430 849879516 /nfs/dbraw/zinc/87/95/16/849879516.db2.gz PRENVAYCEWPFLF-UHFFFAOYSA-N 1 0 269.276 1.463 20 5 CDBDRO CC(C)=CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001001398913 849896050 /nfs/dbraw/zinc/89/60/50/849896050.db2.gz GIYPOOGZYSNKGF-ZIAGYGMSSA-N 1 0 295.383 1.446 20 5 CDBDRO C[C@@H]([NH3+])CN(C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000311066738 850154348 /nfs/dbraw/zinc/15/43/48/850154348.db2.gz YFJCILDWGXFOTM-SSDOTTSWSA-N 1 0 255.249 1.153 20 5 CDBDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](O)[C@@H](O)CC2)cc1[N+](=O)[O-] ZINC000886257984 850182089 /nfs/dbraw/zinc/18/20/89/850182089.db2.gz QYSGXBBQJVHZSY-YOWGUQMCSA-N 1 0 294.351 1.657 20 5 CDBDRO Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)cc1[N+](=O)[O-] ZINC000714035034 850213803 /nfs/dbraw/zinc/21/38/03/850213803.db2.gz DYDSEPNIFQAYHY-JSGCOSHPSA-N 1 0 280.324 1.221 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2COCC[NH2+]2)c1 ZINC000863483647 850218216 /nfs/dbraw/zinc/21/82/16/850218216.db2.gz PBAAYMOJZNAFTR-SNVBAGLBSA-N 1 0 285.731 1.326 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)C[C@@H]2C1 ZINC000812344326 850266424 /nfs/dbraw/zinc/26/64/24/850266424.db2.gz ULSYDYZILBURCC-ZJUUUORDSA-N 1 0 295.364 1.680 20 5 CDBDRO CO[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886123309 850372574 /nfs/dbraw/zinc/37/25/74/850372574.db2.gz WPFCXRYLPMJELD-GFCCVEGCSA-N 1 0 265.313 1.991 20 5 CDBDRO C[NH2+]C(C)(C)c1cn(Cc2ccc([N+](=O)[O-])c(F)c2)nn1 ZINC000881213350 850447742 /nfs/dbraw/zinc/44/77/42/850447742.db2.gz NUOIVASSSMKGLO-UHFFFAOYSA-N 1 0 293.302 1.828 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC2(COC2)C1 ZINC001173223523 912312084 /nfs/dbraw/zinc/31/20/84/912312084.db2.gz AQFWGJDJXUMDCX-LLVKDONJSA-N 1 0 262.309 1.858 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]1C(N)=O ZINC001173229886 912322708 /nfs/dbraw/zinc/32/27/08/912322708.db2.gz VZCCHPCJPGXWJK-MFKMUULPSA-N 1 0 277.324 1.476 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCOC1=O ZINC001173232713 912327580 /nfs/dbraw/zinc/32/75/80/912327580.db2.gz FTSYAFMUNVXRHU-LLVKDONJSA-N 1 0 293.323 1.568 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(C)CC1 ZINC001173230456 912329371 /nfs/dbraw/zinc/32/93/71/912329371.db2.gz YFJPBHHQFDMBEM-LBPRGKRZSA-N 1 0 263.341 1.773 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC(O)C1 ZINC001173209561 912331125 /nfs/dbraw/zinc/33/11/25/912331125.db2.gz DCGIYJBIAXAMHM-CBZQXFMTSA-N 1 0 250.298 1.639 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(C(N)=O)CCCC1 ZINC001173214241 912335693 /nfs/dbraw/zinc/33/56/93/912335693.db2.gz NSCGQRNRMOYXOB-NSHDSACASA-N 1 0 291.351 1.914 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC(=O)N1 ZINC001173213152 912337970 /nfs/dbraw/zinc/33/79/70/912337970.db2.gz FXFBXUDQRHJISQ-ZYHUDNBSSA-N 1 0 277.324 1.394 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)[N+](=O)[O-])n2C)C[C@@H]1C ZINC001121298556 912954680 /nfs/dbraw/zinc/95/46/80/912954680.db2.gz ZIAUBABBGJJHMC-GARJFASQSA-N 1 0 296.375 1.072 20 5 CDBDRO COc1nc(C)c(-n2ccc(C[NH3+])cc2=N)cc1[N+](=O)[O-] ZINC001167690139 898208654 /nfs/dbraw/zinc/20/86/54/898208654.db2.gz PEFXNLMPVCRKHO-UHFFFAOYSA-N 1 0 289.295 1.036 20 5 CDBDRO [NH3+]CCc1ccn(-c2c(Cl)nccc2[N+](=O)[O-])n1 ZINC001167728263 899465015 /nfs/dbraw/zinc/46/50/15/899465015.db2.gz NFKIWGUDHOUBDR-UHFFFAOYSA-N 1 0 267.676 1.330 20 5 CDBDRO CSc1nc2nc(C)cc(O[C@@H](C)C[N+](C)(C)C)n2n1 ZINC001225540655 902900976 /nfs/dbraw/zinc/90/09/76/902900976.db2.gz LLGNXBNEULCCEB-JTQLQIEISA-N 1 0 296.420 1.628 20 5 CDBDRO O=[N+]([O-])c1cc2c(nc1N[C@H]1C[NH2+]CC[C@H]1F)CCCC2 ZINC001168227851 907946479 /nfs/dbraw/zinc/94/64/79/907946479.db2.gz YUCVYDXQGUGEPU-PWSUYJOCSA-N 1 0 294.330 1.981 20 5 CDBDRO [NH3+]C[C@H]1COc2ccccc2N1c1cccnc1[N+](=O)[O-] ZINC001171401120 909669950 /nfs/dbraw/zinc/66/99/50/909669950.db2.gz RYLDMRZSXKPBPY-JTQLQIEISA-N 1 0 286.291 1.848 20 5 CDBDRO C[N+](C)(C)CCOC[C@@H]1COc2cscc2O1 ZINC001224776026 910705053 /nfs/dbraw/zinc/70/50/53/910705053.db2.gz RJZRWGHBNCVSEE-SNVBAGLBSA-N 1 0 258.363 1.611 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCOCCO)CC2 ZINC001172898257 912038155 /nfs/dbraw/zinc/03/81/55/912038155.db2.gz JTAQLAGNJVDOPW-AWEZNQCLSA-N 1 0 294.351 1.441 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CC1(O)COC1)CC2 ZINC001172899767 912039307 /nfs/dbraw/zinc/03/93/07/912039307.db2.gz PJOUWVVABPXTJW-CYBMUJFWSA-N 1 0 292.335 1.193 20 5 CDBDRO C[C@H]1CC[C@@H](C[NH3+])CN1c1ccc([N+](=O)[O-])c(N)n1 ZINC000094261969 915729203 /nfs/dbraw/zinc/72/92/03/915729203.db2.gz QQXOFFRGJOQRCD-IUCAKERBSA-N 1 0 265.317 1.136 20 5 CDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC=CC1 ZINC001125135193 936352828 /nfs/dbraw/zinc/35/28/28/936352828.db2.gz IHOBNEYKJCZUEB-UHFFFAOYSA-N 1 0 289.335 1.767 20 5 CDBDRO C[NH+]1CCN(C(=N)Nc2nc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001168737375 921896277 /nfs/dbraw/zinc/89/62/77/921896277.db2.gz SRNATLCWHCOJDT-UHFFFAOYSA-N 1 0 298.734 1.237 20 5 CDBDRO Cc1c(C)c([N+](=O)[O-])cnc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001155637234 927007666 /nfs/dbraw/zinc/00/76/66/927007666.db2.gz RQUFITFHVLJQLE-SCVCMEIPSA-N 1 0 278.312 1.148 20 5 CDBDRO COc1ccnc(-n2cnc3ccc(C[NH3+])cc32)c1[N+](=O)[O-] ZINC001168841338 927485426 /nfs/dbraw/zinc/48/54/26/927485426.db2.gz SNEOYRCEZZSJTQ-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)nn1 ZINC001168976597 927563916 /nfs/dbraw/zinc/56/39/16/927563916.db2.gz DTFSFHGRVSCLEP-NXEZZACHSA-N 1 0 266.301 1.020 20 5 CDBDRO O=C(CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)Nc1nccs1 ZINC001168978161 927565591 /nfs/dbraw/zinc/56/55/91/927565591.db2.gz PASCCOXFJURYER-VHSXEESVSA-N 1 0 298.368 1.507 20 5 CDBDRO COc1ccccc1C(=O)C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168980236 927569321 /nfs/dbraw/zinc/56/93/21/927569321.db2.gz CJOGSEITSZVSBX-RYUDHWBXSA-N 1 0 292.335 1.913 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H](CO)Cc2ccccc2)C1 ZINC001168983291 927570478 /nfs/dbraw/zinc/57/04/78/927570478.db2.gz JICDMSHAUOBZPA-BZUAXINKSA-N 1 0 292.379 1.873 20 5 CDBDRO O=c1ccc2c([nH]1)CC[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001168956875 927576780 /nfs/dbraw/zinc/57/67/80/927576780.db2.gz CIPRPKMXGFBLNI-RTXFEEFZSA-N 1 0 291.351 1.680 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccco2)C1 ZINC001168956246 927578243 /nfs/dbraw/zinc/57/82/43/927578243.db2.gz ALRGMKGWDWKINL-VWYCJHECSA-N 1 0 254.286 1.348 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCN2CCCCO2)C1 ZINC001168964806 927586265 /nfs/dbraw/zinc/58/62/65/927586265.db2.gz WJHRAVCAAVSQHS-NWDGAFQWSA-N 1 0 257.334 1.049 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCN2CCSCC2)C1 ZINC001168969552 927591760 /nfs/dbraw/zinc/59/17/60/927591760.db2.gz FFLXXSRYIXOCGK-NEPJUHHUSA-N 1 0 273.402 1.070 20 5 CDBDRO COC(=O)CCCCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168973277 927596245 /nfs/dbraw/zinc/59/62/45/927596245.db2.gz NRYOFEJQTAPZAH-NEPJUHHUSA-N 1 0 272.345 1.755 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CC3(C2)CCCCO3)C1 ZINC001169012857 927619536 /nfs/dbraw/zinc/61/95/36/927619536.db2.gz SJJHYZZFIPERHR-NEPJUHHUSA-N 1 0 254.330 1.687 20 5 CDBDRO Cc1nc2c(n1[C@H]1CC[C@H](C[N+](=O)[O-])C1)CC[NH2+]CC2 ZINC001169014448 927619884 /nfs/dbraw/zinc/61/98/84/927619884.db2.gz ZWIYVVUXGVDOOI-RYUDHWBXSA-N 1 0 278.356 1.498 20 5 CDBDRO CN(C)C(=O)N1CCC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168987287 927621946 /nfs/dbraw/zinc/62/19/46/927621946.db2.gz HYBXLMNMJBENOH-AGIUHOORSA-N 1 0 298.387 1.167 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c(OC)n1 ZINC001168987327 927623090 /nfs/dbraw/zinc/62/30/90/927623090.db2.gz IGTOSYWUIVGTGQ-PWSUYJOCSA-N 1 0 295.339 1.634 20 5 CDBDRO [NH3+]C[C@@H]1COc2ccccc2N1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168988146 927625222 /nfs/dbraw/zinc/62/52/22/927625222.db2.gz OKLDMYZOMOHWAA-FRRDWIJNSA-N 1 0 291.351 1.658 20 5 CDBDRO CO[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169033023 927640738 /nfs/dbraw/zinc/64/07/38/927640738.db2.gz BCNUPRDGEYWLDI-YNEHKIRRSA-N 1 0 256.346 1.933 20 5 CDBDRO CCNC(=O)OC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169035156 927643495 /nfs/dbraw/zinc/64/34/95/927643495.db2.gz ASGVHUFIIGJFHQ-VXGBXAGGSA-N 1 0 299.371 1.642 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2CN2CCCC2)C1 ZINC001169037773 927646858 /nfs/dbraw/zinc/64/68/58/927646858.db2.gz UEGYUCDWKFWRQN-RBSFLKMASA-N 1 0 281.400 1.992 20 5 CDBDRO COC(=O)CC[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169037525 927647586 /nfs/dbraw/zinc/64/75/86/927647586.db2.gz SBJLCBZMCRIBQN-FRRDWIJNSA-N 1 0 284.356 1.707 20 5 CDBDRO O=C1NCC2(CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)O1 ZINC001169039173 927650864 /nfs/dbraw/zinc/65/08/64/927650864.db2.gz NYHZDHPZRSYPMZ-GHMZBOCLSA-N 1 0 283.328 1.006 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CC3(C2)C[C@H](F)CS3)C1 ZINC001169038857 927651300 /nfs/dbraw/zinc/65/13/00/927651300.db2.gz LAJQNONPDSRIGO-VWYCJHECSA-N 1 0 274.361 1.961 20 5 CDBDRO CC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169040240 927652555 /nfs/dbraw/zinc/65/25/55/927652555.db2.gz ZBGOGPPVEKEVJZ-UPJWGTAASA-N 1 0 254.330 1.733 20 5 CDBDRO COC[C@]12COC[C@H]1C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169018905 927658921 /nfs/dbraw/zinc/65/89/21/927658921.db2.gz DHZSSMHDVGRRLU-REWJHTLYSA-N 1 0 284.356 1.027 20 5 CDBDRO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169023903 927663381 /nfs/dbraw/zinc/66/33/81/927663381.db2.gz GLKDBPMTQWDTSI-CSHRUCKSSA-N 1 0 284.356 1.310 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC001169026592 927667167 /nfs/dbraw/zinc/66/71/67/927667167.db2.gz NBPWODJYOLMJBK-KFWWJZLASA-N 1 0 297.399 1.228 20 5 CDBDRO CCC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169057460 927674779 /nfs/dbraw/zinc/67/47/79/927674779.db2.gz VLILBBRUUOQJKE-XQQFMLRXSA-N 1 0 283.372 1.422 20 5 CDBDRO COC(=O)c1ncc([N+](=O)[O-])cc1NCC[C@H]1CCC[NH2+]1 ZINC001169568934 928185947 /nfs/dbraw/zinc/18/59/47/928185947.db2.gz GINXOZUIRKMVJS-SECBINFHSA-N 1 0 294.311 1.330 20 5 CDBDRO O=[N+]([O-])c1ccc(NCC23CC[NH+](CC2)CC3)nc1 ZINC001169792754 928442348 /nfs/dbraw/zinc/44/23/48/928442348.db2.gz BPDUEQWQEDPPPU-UHFFFAOYSA-N 1 0 262.313 1.888 20 5 CDBDRO COc1ccnc(NCC23CC[NH+](CC2)CC3)c1[N+](=O)[O-] ZINC001169792810 928443196 /nfs/dbraw/zinc/44/31/96/928443196.db2.gz DXLNNKYFIKVXJG-UHFFFAOYSA-N 1 0 292.339 1.896 20 5 CDBDRO CCOCC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001154336927 937533380 /nfs/dbraw/zinc/53/33/80/937533380.db2.gz NIEBWMNBYCXPET-UHFFFAOYSA-N 1 0 295.339 1.227 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CCCC[NH2+]1 ZINC001171335309 932755831 /nfs/dbraw/zinc/75/58/31/932755831.db2.gz VRXDPCWOEZLOEO-JTQLQIEISA-N 1 0 293.323 1.935 20 5 CDBDRO O=[N+]([O-])c1cccc(NC[C@@]2(F)CCCC[NH2+]C2)n1 ZINC001155116316 937637124 /nfs/dbraw/zinc/63/71/24/937637124.db2.gz XRPJBDFWBIBYLQ-GFCCVEGCSA-N 1 0 268.292 1.884 20 5 CDBDRO [NH3+]Cc1ccnn1-c1nccc(Cl)c1[N+](=O)[O-] ZINC001155123779 937638403 /nfs/dbraw/zinc/63/84/03/937638403.db2.gz ITQCHBPRGAHMIU-UHFFFAOYSA-N 1 0 253.649 1.288 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2ccc(N[C@H]3C[NH+]4CCC3CC4)nc21 ZINC001155668044 937662281 /nfs/dbraw/zinc/66/22/81/937662281.db2.gz SXDRCFVJXFVMTF-NSHDSACASA-N 1 0 287.323 1.977 20 5 CDBDRO CN(Cc1cc(F)ccc1[N+](=O)[O-])CC(C)(C)[NH3+] ZINC000692061478 934238971 /nfs/dbraw/zinc/23/89/71/934238971.db2.gz VIFIVZUFAPKKQR-UHFFFAOYSA-N 1 0 255.293 1.903 20 5 CDBDRO C[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC001120488454 937802810 /nfs/dbraw/zinc/80/28/10/937802810.db2.gz BLHNWOZNLFEMOY-BXUZGUMPSA-N 1 0 281.356 1.416 20 5 CDBDRO C[C@@H](NC(=O)CCC1C[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001122165999 937909857 /nfs/dbraw/zinc/90/98/57/937909857.db2.gz DNYZSJNYIQNXKS-SNVBAGLBSA-N 1 0 277.324 1.772 20 5 CDBDRO [NH3+][C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001122575909 937943108 /nfs/dbraw/zinc/94/31/08/937943108.db2.gz PGUUVDUMKZMALC-WFFHOREQSA-N 1 0 275.308 1.304 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC001122579831 937943560 /nfs/dbraw/zinc/94/35/60/937943560.db2.gz VZACJQAOMVVJSM-MGCOHNPYSA-N 1 0 263.297 1.431 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001156038482 938312663 /nfs/dbraw/zinc/31/26/63/938312663.db2.gz UJQWQSVMLITRKH-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001156850248 938425784 /nfs/dbraw/zinc/42/57/84/938425784.db2.gz GVBKWMMQZHXEDY-UHFFFAOYSA-N 1 0 295.302 1.872 20 5 CDBDRO [NH3+]C[C@@]1(F)CCN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)C1 ZINC001157818085 938551428 /nfs/dbraw/zinc/55/14/28/938551428.db2.gz QHLDKYDCXCFHJT-LBPRGKRZSA-N 1 0 279.275 1.348 20 5 CDBDRO COc1cnc(N2C[C@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001158177322 938591408 /nfs/dbraw/zinc/59/14/08/938591408.db2.gz SVXSJFGNPUDUBK-IUCAKERBSA-N 1 0 266.301 1.185 20 5 CDBDRO C[C@H]([NH3+])c1ccn(-c2ncnc3cc([N+](=O)[O-])ccc32)n1 ZINC001158349946 938611930 /nfs/dbraw/zinc/61/19/30/938611930.db2.gz WTCMQGGUDJOFSD-QMMMGPOBSA-N 1 0 284.279 1.743 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(N2CC[N@@H+]3CC[C@H]3C2)nc1Cl ZINC001158423928 938622498 /nfs/dbraw/zinc/62/24/98/938622498.db2.gz OSEPADWPKJKZJL-VIFPVBQESA-N 1 0 282.731 1.846 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[NH2+]C2(CC2)C1 ZINC001158936830 938680473 /nfs/dbraw/zinc/68/04/73/938680473.db2.gz SDRXKVJAPZJFJK-UHFFFAOYSA-N 1 0 285.307 1.480 20 5 CDBDRO OC[C@@H]1C[NH2+]C[C@@H]1Nc1ccc2ccc3cccnc3c2n1 ZINC001159670462 938743651 /nfs/dbraw/zinc/74/36/51/938743651.db2.gz FNPVHNYJBFQHLN-KBPBESRZSA-N 1 0 294.358 1.775 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1-n1cc2ccc(C[NH3+])cc2n1 ZINC001160140699 938770507 /nfs/dbraw/zinc/77/05/07/938770507.db2.gz SASKJXNYYVPTHD-UHFFFAOYSA-N 1 0 284.279 1.370 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1NC[C@@H](O)c1ccco1)C[NH2+]C2 ZINC001162261063 938968737 /nfs/dbraw/zinc/96/87/37/938968737.db2.gz KWOYMOLGZSSJJJ-CYBMUJFWSA-N 1 0 289.291 1.937 20 5 CDBDRO CCOc1cnc(-n2cnc(C[NH3+])c2)c([N+](=O)[O-])c1 ZINC001162296674 938972676 /nfs/dbraw/zinc/97/26/76/938972676.db2.gz JDDIIGQFXSDQKJ-UHFFFAOYSA-N 1 0 263.257 1.033 20 5 CDBDRO C[C@@]1([NH3+])C[C@H](Nc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C1 ZINC001162328481 939024368 /nfs/dbraw/zinc/02/43/68/939024368.db2.gz CXWFGVPZLVDZOG-XGAOUMNUSA-N 1 0 272.692 1.173 20 5 CDBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1nccc(N)c1[N+](=O)[O-] ZINC001162457633 939060488 /nfs/dbraw/zinc/06/04/88/939060488.db2.gz QAPCXNBYZUVCDS-NXEZZACHSA-N 1 0 279.344 1.620 20 5 CDBDRO C[C@@H]1C[C@@H](CNc2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])C[NH2+]1 ZINC001162555331 939086753 /nfs/dbraw/zinc/08/67/53/939086753.db2.gz QPFZGYKRSPEWPO-HTQZYQBOSA-N 1 0 286.719 1.292 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@]2(F)CCCC[NH2+]C2)cn1 ZINC001162583799 939094393 /nfs/dbraw/zinc/09/43/93/939094393.db2.gz SHZGSCNBOZDRPN-NSHDSACASA-N 1 0 269.280 1.279 20 5 CDBDRO CN(C)c1ccc(-n2nccc2C[NH3+])c([N+](=O)[O-])c1 ZINC001162597466 939098457 /nfs/dbraw/zinc/09/84/57/939098457.db2.gz HAIZYFUIWCPJIB-UHFFFAOYSA-N 1 0 261.285 1.305 20 5 CDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@@H]1CC[NH2+][C@@H]1C ZINC001162677266 939112888 /nfs/dbraw/zinc/11/28/88/939112888.db2.gz DMHWMLHKKKXLAH-MWLCHTKSSA-N 1 0 293.323 1.934 20 5 CDBDRO Cn1cccc1CNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001162709493 939125702 /nfs/dbraw/zinc/12/57/02/939125702.db2.gz MOPAZMFDUWDDAE-UHFFFAOYSA-N 1 0 288.311 1.022 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N[C@@H]1C=C[C@@H]2C[NH2+]C[C@H]12 ZINC001162791920 939141301 /nfs/dbraw/zinc/14/13/01/939141301.db2.gz FEWPDHHUFWTJNE-JIMOISOXSA-N 1 0 297.318 1.724 20 5 CDBDRO COc1cnc(N(C(C)C)C(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC001163187921 939222181 /nfs/dbraw/zinc/22/21/81/939222181.db2.gz FAMPFFMOGCZRPE-UHFFFAOYSA-N 1 0 282.344 1.951 20 5 CDBDRO O=[N+]([O-])c1ncccc1NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163277622 939238632 /nfs/dbraw/zinc/23/86/32/939238632.db2.gz FIAXBUSUTQWVPA-RISCZKNCSA-N 1 0 292.339 1.560 20 5 CDBDRO CC[N@@H+]1CCCN(c2cc([N+](=O)[O-])ccn2)CC1 ZINC001163771493 939326781 /nfs/dbraw/zinc/32/67/81/939326781.db2.gz ZIYCYLDMCAWUMA-UHFFFAOYSA-N 1 0 250.302 1.522 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC([NH+](C)C)C2)n1 ZINC001163933558 939357073 /nfs/dbraw/zinc/35/70/73/939357073.db2.gz IRDPGCPPERNJMK-UHFFFAOYSA-N 1 0 271.708 1.097 20 5 CDBDRO O=[N+]([O-])c1c(NC[C@H]2CCCCO2)ncnc1C1C[NH2+]C1 ZINC001164689220 939503743 /nfs/dbraw/zinc/50/37/43/939503743.db2.gz GQKONWMBPTWTLA-SNVBAGLBSA-N 1 0 293.327 1.053 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(F)(C[NH3+])CC1 ZINC001165260753 939535602 /nfs/dbraw/zinc/53/56/02/939535602.db2.gz ZRQXDDXPGOBYLA-UHFFFAOYSA-N 1 0 268.292 1.565 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(F)(C[NH3+])CC2)n1 ZINC001165263296 939536067 /nfs/dbraw/zinc/53/60/67/939536067.db2.gz MWIROOBQPQXUQF-UHFFFAOYSA-N 1 0 282.319 1.874 20 5 CDBDRO Cc1nc2c(n1-c1ccc([N+](=O)[O-])c(C)n1)CC[NH2+]CC2 ZINC001165352513 939549859 /nfs/dbraw/zinc/54/98/59/939549859.db2.gz WZXRKTBKPVGSMC-UHFFFAOYSA-N 1 0 287.323 1.481 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)nc1Cl ZINC001165382607 939553384 /nfs/dbraw/zinc/55/33/84/939553384.db2.gz AVPQPKLFBNNOCT-SRSLHRDFSA-N 1 0 268.704 1.345 20 5 CDBDRO Cc1cnc(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)c([N+](=O)[O-])c1 ZINC001165427505 939563463 /nfs/dbraw/zinc/56/34/63/939563463.db2.gz PTFASBOOFHHLLI-WDEREUQCSA-N 1 0 294.330 1.811 20 5 CDBDRO Cc1ccc(O[C@H]2CNCC2(F)F)c([N+](=O)[O-])c1 ZINC001218241112 941048579 /nfs/dbraw/zinc/04/85/79/941048579.db2.gz WRFQWVMISFSMNQ-JTQLQIEISA-N 1 0 258.224 1.889 20 5 CDBDRO C[NH2+]CCNC(=O)c1ccnc2c1ccc1cccnc12 ZINC001220062024 941410372 /nfs/dbraw/zinc/41/03/72/941410372.db2.gz JQTOJWFRGKYVLB-UHFFFAOYSA-N 1 0 280.331 1.732 20 5 CDBDRO COC(=O)c1ncccc1CO[C@H](C)C[N+](C)(C)C ZINC001222747769 941630866 /nfs/dbraw/zinc/63/08/66/941630866.db2.gz ZQDJXVFKDIXCHW-LLVKDONJSA-N 1 0 267.349 1.480 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOCc2ccccc2[N+](=O)[O-])C1 ZINC001222761396 941632543 /nfs/dbraw/zinc/63/25/43/941632543.db2.gz PWHXJEJSZBQKLE-CYBMUJFWSA-N 1 0 280.324 1.832 20 5 CDBDRO COC(=O)[C@H](O[C@H]1CC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC001223638876 941689166 /nfs/dbraw/zinc/68/91/66/941689166.db2.gz ABWVCUZTILHDEE-GXFFZTMASA-N 1 0 294.307 1.530 20 5 CDBDRO COC(=O)c1cccc(CO[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001223665553 941690461 /nfs/dbraw/zinc/69/04/61/941690461.db2.gz UNEXYZSNSZZBPX-NSHDSACASA-N 1 0 294.307 1.602 20 5 CDBDRO CCOC(=O)c1cnc(CO[C@@H](C)C[N+](C)(C)C)s1 ZINC001224119656 941721908 /nfs/dbraw/zinc/72/19/08/941721908.db2.gz BJAJJOZIWXJQPW-JTQLQIEISA-N 1 0 287.405 1.931 20 5 CDBDRO COC(=O)C1CCC(OCCC[N+](C)(C)C)CC1 ZINC001224619771 941776761 /nfs/dbraw/zinc/77/67/61/941776761.db2.gz QIHLVAVBHPVVEX-UHFFFAOYSA-N 1 0 258.382 1.831 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(Cl)c1 ZINC001225229580 941832469 /nfs/dbraw/zinc/83/24/69/941832469.db2.gz CKNWKCNXADMLQX-LLVKDONJSA-N 1 0 272.752 1.703 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1nccc(C(F)(F)F)n1 ZINC001225711407 941902772 /nfs/dbraw/zinc/90/27/72/941902772.db2.gz WHNZWUAFQSNXLU-QMMMGPOBSA-N 1 0 264.271 1.969 20 5 CDBDRO CC(=O)Nc1ncccc1O[C@@H](C)C[N+](C)(C)C ZINC001226150961 941957832 /nfs/dbraw/zinc/95/78/32/941957832.db2.gz NJYCEQVFWFYDKK-JTQLQIEISA-O 1 0 252.338 1.514 20 5 CDBDRO CC[N@@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])cn2)C1 ZINC001226733077 942059907 /nfs/dbraw/zinc/05/99/07/942059907.db2.gz GTUMFXNNMMYTER-JTQLQIEISA-N 1 0 252.274 1.248 20 5 CDBDRO C[N@@H+]1[C@@H]2C[C@H](Oc3cccc([N+](=O)[O-])c3)[C@H]1CC(=O)C2 ZINC001226763702 942064577 /nfs/dbraw/zinc/06/45/77/942064577.db2.gz ZWEIZSWNGAIAQN-GDLCADMTSA-N 1 0 276.292 1.778 20 5 CDBDRO CCOC(=O)c1ccc(O[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001227297226 942165382 /nfs/dbraw/zinc/16/53/82/942165382.db2.gz NNDLJDNWASSWRH-NSHDSACASA-N 1 0 294.307 1.854 20 5 CDBDRO COC(=O)c1sc([N+](=O)[O-])cc1O[C@H](C)C[NH+](C)C ZINC001227541907 942186246 /nfs/dbraw/zinc/18/62/46/942186246.db2.gz QJKMEEOOEQLUPC-SSDOTTSWSA-N 1 0 288.325 1.772 20 5 CDBDRO CN1CCO[C@@H](COc2ccnc(Cl)c2[N+](=O)[O-])C1 ZINC001228056593 942263592 /nfs/dbraw/zinc/26/35/92/942263592.db2.gz DDVYVTMMTJMYSF-MRVPVSSYSA-N 1 0 287.703 1.353 20 5 CDBDRO COC(=O)c1c(O[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC001229045430 942412093 /nfs/dbraw/zinc/41/20/93/942412093.db2.gz NCVDFIFWYBQGME-VIFPVBQESA-N 1 0 282.296 1.710 20 5 CDBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc[n+]([O-])cc1[N+](=O)[O-])C2 ZINC001229455163 942476817 /nfs/dbraw/zinc/47/68/17/942476817.db2.gz WKFCDBDDUDQMCH-JGPRNRPPSA-N 1 0 279.296 1.232 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2c1CCNC2=O ZINC001229521424 942487485 /nfs/dbraw/zinc/48/74/85/942487485.db2.gz FYGITFSBZLBFGM-LLVKDONJSA-O 1 0 263.361 1.446 20 5 CDBDRO CC(=O)Nc1ccc(O)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001229720983 942517185 /nfs/dbraw/zinc/51/71/85/942517185.db2.gz SBOLFFIVWPEZRJ-JTQLQIEISA-O 1 0 267.349 1.824 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc([C@H]2NC(=O)NC2=O)cc1 ZINC001229789027 942531369 /nfs/dbraw/zinc/53/13/69/942531369.db2.gz YGGQNXSGNBAQMY-ZWNOBZJWSA-O 1 0 292.359 1.041 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc2n[nH]cc2c(F)c1 ZINC001230931212 942736986 /nfs/dbraw/zinc/73/69/86/942736986.db2.gz MLDRCNMZPVFBDC-SECBINFHSA-N 1 0 296.322 1.065 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001254551825 947521425 /nfs/dbraw/zinc/52/14/25/947521425.db2.gz GGWMTGBBRAUKCP-OSAQELSMSA-N 1 0 294.351 1.201 20 5 CDBDRO CCOC(=O)CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254569530 947530291 /nfs/dbraw/zinc/53/02/91/947530291.db2.gz ZDLWGXNMCFLLDE-GFCCVEGCSA-N 1 0 278.308 1.605 20 5 CDBDRO CN1C[C@@H](C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1=O ZINC001254575602 947535227 /nfs/dbraw/zinc/53/52/27/947535227.db2.gz RGUNSHAUCYNMLW-MFKMUULPSA-N 1 0 289.335 1.130 20 5 CDBDRO [NH3+][C@H]1CCc2nn([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)cc2C1 ZINC001254576132 947536036 /nfs/dbraw/zinc/53/60/36/947536036.db2.gz UTMGJOWWYIGELK-ZFWWWQNUSA-N 1 0 298.346 1.947 20 5 CDBDRO CN1CC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1=O ZINC001254584154 947540982 /nfs/dbraw/zinc/54/09/82/947540982.db2.gz QLRNWPIYOJEJLR-STQMWFEESA-N 1 0 289.335 1.272 20 5 CDBDRO O=C1C[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCCN1 ZINC001254589599 947542105 /nfs/dbraw/zinc/54/21/05/947542105.db2.gz PTDPCOVYMBVKSZ-CHWSQXEVSA-N 1 0 289.335 1.320 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@H](O)c1ccncc1)C2 ZINC001254589858 947542542 /nfs/dbraw/zinc/54/25/42/947542542.db2.gz SKAGVJVURHYLNE-ZBFHGGJFSA-N 1 0 299.330 1.780 20 5 CDBDRO COc1ccc(C[C@@H](C)N2CC[C@@H]([NH3+])[C@H]2C)c([N+](=O)[O-])c1 ZINC001246552832 948258922 /nfs/dbraw/zinc/25/89/22/948258922.db2.gz ZZZGGYLTTRUSJY-JTNHKYCSSA-N 1 0 293.367 1.956 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246635620 948372691 /nfs/dbraw/zinc/37/26/91/948372691.db2.gz DUYZOBPZHDQGSB-NILFDRSVSA-N 1 0 275.352 1.962 20 5 CDBDRO CC[C@H]([NH3+])CN(C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246972638 948550643 /nfs/dbraw/zinc/55/06/43/948550643.db2.gz CPENMYDWIZOUEG-GXTWGEPZSA-N 1 0 263.341 1.731 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC001248310172 949004894 /nfs/dbraw/zinc/00/48/94/949004894.db2.gz JVEFOCVDUMGSTF-QMSLJYSESA-N 1 0 291.242 1.112 20 5 CDBDRO CC(C)C[NH2+]CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001326243517 954281832 /nfs/dbraw/zinc/28/18/32/954281832.db2.gz BMZPASDFAKFHLP-UHFFFAOYSA-N 1 0 294.355 1.369 20 5 CDBDRO O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001326612061 954455002 /nfs/dbraw/zinc/45/50/02/954455002.db2.gz MZHWJOKMLGWLTL-HONMWMINSA-N 1 0 287.319 1.230 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC001327087682 954698438 /nfs/dbraw/zinc/69/84/38/954698438.db2.gz RLSQYSWZGXZUBW-SNVBAGLBSA-N 1 0 280.328 1.121 20 5 CDBDRO CN1CCCC[C@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335368965 959748757 /nfs/dbraw/zinc/74/87/57/959748757.db2.gz TWQCLRIBZLMTQE-LSDHHAIUSA-N 1 0 293.367 1.702 20 5 CDBDRO C[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC001335883152 960078564 /nfs/dbraw/zinc/07/85/64/960078564.db2.gz XDQBTPRGRYXISR-ZWNOBZJWSA-N 1 0 267.329 1.168 20 5 CDBDRO COCC[NH+]1CCC(Nc2c(C)cncc2[N+](=O)[O-])CC1 ZINC001322677226 960294039 /nfs/dbraw/zinc/29/40/39/960294039.db2.gz ICESXQPBQWTBIE-UHFFFAOYSA-N 1 0 294.355 1.243 20 5 CDBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001336514366 960377208 /nfs/dbraw/zinc/37/72/08/960377208.db2.gz VAAZOSATZTXVTL-WDEREUQCSA-N 1 0 279.344 1.857 20 5 CDBDRO CCC(O)(CC)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001336763118 960555905 /nfs/dbraw/zinc/55/59/05/960555905.db2.gz MXCKVGGOJSGGLG-ZDUSSCGKSA-N 1 0 282.340 1.769 20 5 CDBDRO C[C@@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC001337788138 961419671 /nfs/dbraw/zinc/41/96/71/961419671.db2.gz MQMBRUJAAAULMS-BDAKNGLRSA-N 1 0 265.317 1.467 20 5 CDBDRO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cc(F)cc([N+](=O)[O-])c1 ZINC001339139396 962195899 /nfs/dbraw/zinc/19/58/99/962195899.db2.gz CZULSMTZWCTGMS-CYBMUJFWSA-N 1 0 293.298 1.558 20 5 CDBDRO CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)CC1 ZINC001339669717 962482057 /nfs/dbraw/zinc/48/20/57/962482057.db2.gz USDNNMKFOSUQLJ-SNVBAGLBSA-N 1 0 296.375 1.120 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001341740181 963525297 /nfs/dbraw/zinc/52/52/97/963525297.db2.gz MRYDCSSXFQMGTM-SKDRFNHKSA-N 1 0 277.324 1.770 20 5 CDBDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C1 ZINC001342134915 963649945 /nfs/dbraw/zinc/64/99/45/963649945.db2.gz GQTDUMNCFNQWOD-JSGCOSHPSA-N 1 0 293.323 1.609 20 5 CDBDRO Cc1cc(NC(=O)[C@H](C)[C@@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC001342136091 963651574 /nfs/dbraw/zinc/65/15/74/963651574.db2.gz SXXMMOSYGQKEEK-RKDXNWHRSA-N 1 0 251.286 1.825 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001342594175 963773146 /nfs/dbraw/zinc/77/31/46/963773146.db2.gz ZWEPHQWLDZINGI-GIPNMCIBSA-N 1 0 277.324 1.770 20 5 CDBDRO C[C@H](NC(=O)[C@]1(F)CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001342592380 963773713 /nfs/dbraw/zinc/77/37/13/963773713.db2.gz RXLYQUBBCKCOHY-ZANVPECISA-N 1 0 281.287 1.474 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]([NH3+])C(C)C ZINC001345811213 964823318 /nfs/dbraw/zinc/82/33/18/964823318.db2.gz ZTYCEDSSZQWPNQ-NSHDSACASA-N 1 0 280.328 1.350 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001353632862 968116153 /nfs/dbraw/zinc/11/61/53/968116153.db2.gz GWPWPHLTAOCXHA-KPXOXKRLSA-N 1 0 263.297 1.162 20 5 CDBDRO CCC[NH+]1CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001354058105 968444027 /nfs/dbraw/zinc/44/40/27/968444027.db2.gz AVLBXOPYFQHGCX-UHFFFAOYSA-N 1 0 265.317 1.104 20 5 CDBDRO CO[C@H](C)[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001357127117 969536963 /nfs/dbraw/zinc/53/69/63/969536963.db2.gz SVECBMPDSBAEIW-OPQQBVKSSA-N 1 0 268.313 1.641 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC001357173330 969544624 /nfs/dbraw/zinc/54/46/24/969544624.db2.gz ONXZEKCKHSEVQB-WFASDCNBSA-N 1 0 289.335 1.553 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC2(C[NH2+]C2)CC1 ZINC001357811353 969658603 /nfs/dbraw/zinc/65/86/03/969658603.db2.gz QLBQZUXWCRTOBC-UHFFFAOYSA-N 1 0 275.308 1.420 20 5 CDBDRO Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001517936939 970001512 /nfs/dbraw/zinc/00/15/12/970001512.db2.gz OUNWJPMXVPULGO-NSHDSACASA-N 1 0 292.339 1.976 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCCC[NH2+]1 ZINC001523524684 970728184 /nfs/dbraw/zinc/72/81/84/970728184.db2.gz DWBVBOHZLMOVHQ-CYBMUJFWSA-N 1 0 291.351 1.786 20 5 CDBDRO Cc1c(C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])cccc1[N+](=O)[O-] ZINC001514529874 976296414 /nfs/dbraw/zinc/29/64/14/976296414.db2.gz KOLKGOFECMOZGA-NHYWBVRUSA-N 1 0 289.335 1.857 20 5 CDBDRO C[C@]1(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC001573622347 1170710825 /nfs/dbraw/zinc/71/08/25/1170710825.db2.gz NEVGXVJLRUODQZ-LBPRGKRZSA-N 1 0 299.277 1.555 20 5 CDBDRO CC(C)(CF)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001575307984 1171148632 /nfs/dbraw/zinc/14/86/32/1171148632.db2.gz XRCRCFMBCPZHAH-ZDUSSCGKSA-N 1 0 283.303 1.633 20 5 CDBDRO Cc1ccnc(N2CC[N@@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000601187693 342488093 /nfs/dbraw/zinc/48/80/93/342488093.db2.gz VPDWWMSIDUXNKU-UHFFFAOYSA-N 1 0 264.329 1.829 20 5 CDBDRO Cc1cc(N[C@H](CO)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000589101430 342496895 /nfs/dbraw/zinc/49/68/95/342496895.db2.gz DFTYVDQCIYAUFI-NSHDSACASA-N 1 0 253.302 1.238 20 5 CDBDRO CC[C@H](C)[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000273049466 192031045 /nfs/dbraw/zinc/03/10/45/192031045.db2.gz HOVYEBDSLQQNMM-JTQLQIEISA-N 1 0 267.333 1.249 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000262793852 361761897 /nfs/dbraw/zinc/76/18/97/361761897.db2.gz DKVYDGOYQBHHAT-DTWKUNHWSA-N 1 0 295.343 1.141 20 5 CDBDRO C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000031100395 342074576 /nfs/dbraw/zinc/07/45/76/342074576.db2.gz RIGIEMRYHXKADX-VIFPVBQESA-N 1 0 266.301 1.666 20 5 CDBDRO C[NH+]1CC2(C1)CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2 ZINC000618921279 349557044 /nfs/dbraw/zinc/55/70/44/349557044.db2.gz UNTBEYLSKUAERN-UHFFFAOYSA-N 1 0 289.335 1.301 20 5 CDBDRO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000047745626 342119198 /nfs/dbraw/zinc/11/91/98/342119198.db2.gz HDWKZPDNSNNFTE-CYBMUJFWSA-N 1 0 291.351 1.753 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](C)[NH3+] ZINC000591288587 342625494 /nfs/dbraw/zinc/62/54/94/342625494.db2.gz LBHRDRZGAFOQEW-QMMMGPOBSA-N 1 0 266.301 1.680 20 5 CDBDRO Cc1nc(N2CC[C@@H]3CC[NH2+][C@H]3C2)ccc1[N+](=O)[O-] ZINC000591437357 342631866 /nfs/dbraw/zinc/63/18/66/342631866.db2.gz GQAJCWSGKBMDLZ-QWRGUYRKSA-N 1 0 262.313 1.486 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000591354623 342627332 /nfs/dbraw/zinc/62/73/32/342627332.db2.gz FYDQQUMARPOQEP-VHSXEESVSA-N 1 0 280.328 1.611 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3CC[NH2+][C@@H]3C2)c(F)c1 ZINC000591438680 342631966 /nfs/dbraw/zinc/63/19/66/342631966.db2.gz PJLSUGDIONGKFY-LDYMZIIASA-N 1 0 266.276 1.317 20 5 CDBDRO COc1ccc(CNC(=O)[C@H]2[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000591669239 342641316 /nfs/dbraw/zinc/64/13/16/342641316.db2.gz KOOCSQSTTSXVHT-GFCCVEGCSA-N 1 0 293.323 1.218 20 5 CDBDRO CO[C@H](C)CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591734235 342644684 /nfs/dbraw/zinc/64/46/84/342644684.db2.gz KTTTZJMCVGZCSO-VXGBXAGGSA-N 1 0 298.339 1.349 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000592475666 342698983 /nfs/dbraw/zinc/69/89/83/342698983.db2.gz SJPOCSNGXSFLSB-FZMZJTMJSA-N 1 0 295.339 1.022 20 5 CDBDRO CC1([NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000592543855 342708661 /nfs/dbraw/zinc/70/86/61/342708661.db2.gz QTGTVKNDQLQWFC-UHFFFAOYSA-N 1 0 253.258 1.141 20 5 CDBDRO CC(C)O[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000593055311 342760137 /nfs/dbraw/zinc/76/01/37/342760137.db2.gz JQEFTMRGORRQBK-ZDUSSCGKSA-N 1 0 282.344 1.681 20 5 CDBDRO CCO[C@@H]1COC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000451937471 361879671 /nfs/dbraw/zinc/87/96/71/361879671.db2.gz LWIMVSKCYWGVSM-ZIAGYGMSSA-N 1 0 296.323 1.367 20 5 CDBDRO C[C@@H](O)C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594056836 342869246 /nfs/dbraw/zinc/86/92/46/342869246.db2.gz ZGZSTACDEVWDFR-LLVKDONJSA-N 1 0 280.324 1.819 20 5 CDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1COCCN1 ZINC000600677940 342241850 /nfs/dbraw/zinc/24/18/50/342241850.db2.gz LSWAARQDTXZDSX-GXTWGEPZSA-N 1 0 293.367 1.494 20 5 CDBDRO C[NH2+]C[C@H](C)CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000133235908 342235535 /nfs/dbraw/zinc/23/55/35/342235535.db2.gz JRGRCNXJTKOMSN-QMMMGPOBSA-N 1 0 291.311 1.099 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248654858 282167604 /nfs/dbraw/zinc/16/76/04/282167604.db2.gz VZMFKBBOEOIPAX-TVYUQYBPSA-N 1 0 290.323 1.108 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000092952510 342270542 /nfs/dbraw/zinc/27/05/42/342270542.db2.gz IDALORYTIDCUDF-ONGXEEELSA-N 1 0 263.297 1.840 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000295204119 529443845 /nfs/dbraw/zinc/44/38/45/529443845.db2.gz KODQJROJZBXERB-JTQLQIEISA-N 1 0 281.312 1.217 20 5 CDBDRO COc1ccc(CNCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000594738641 342951277 /nfs/dbraw/zinc/95/12/77/342951277.db2.gz KGWYTBYFFSJCAF-UHFFFAOYSA-N 1 0 279.340 1.965 20 5 CDBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000594964905 342990507 /nfs/dbraw/zinc/99/05/07/342990507.db2.gz CTEUHPCZXVFXCE-SNVBAGLBSA-N 1 0 250.298 1.845 20 5 CDBDRO CO[C@H](C)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594971342 342991938 /nfs/dbraw/zinc/99/19/38/342991938.db2.gz FUIBQKLBEZDUKQ-SECBINFHSA-N 1 0 282.296 1.491 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000418086454 529562751 /nfs/dbraw/zinc/56/27/51/529562751.db2.gz ZZUBGIHCQSLGKE-LLVKDONJSA-N 1 0 280.328 1.440 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)CC(N)=O ZINC000595021572 342996304 /nfs/dbraw/zinc/99/63/04/342996304.db2.gz PRNLUOICUOFMFS-RKDXNWHRSA-N 1 0 281.312 1.518 20 5 CDBDRO Cc1noc(CN(C)C[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000595333899 343037732 /nfs/dbraw/zinc/03/77/32/343037732.db2.gz UVSLGJOTMLKRTL-NSHDSACASA-N 1 0 282.344 1.665 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCc1c[nH]nn1)C1CC1 ZINC000595388907 343053045 /nfs/dbraw/zinc/05/30/45/343053045.db2.gz YQRHOKKHZIYMDP-UHFFFAOYSA-N 1 0 287.323 1.920 20 5 CDBDRO C[C@H](O)CC[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000075782617 342317490 /nfs/dbraw/zinc/31/74/90/342317490.db2.gz MZRVDHSXIFOWEX-NSHDSACASA-N 1 0 268.313 1.676 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCCO)C1CC1 ZINC000619531605 349792644 /nfs/dbraw/zinc/79/26/44/349792644.db2.gz NJZXYXCKYWPNOC-UHFFFAOYSA-N 1 0 280.324 1.950 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000235723263 362039544 /nfs/dbraw/zinc/03/95/44/362039544.db2.gz VRJZFRWGWMGQFV-WDEREUQCSA-N 1 0 277.324 1.774 20 5 CDBDRO Cc1noc(CN(CCOCCO)C2CCC2)c1[N+](=O)[O-] ZINC000595595760 343113654 /nfs/dbraw/zinc/11/36/54/343113654.db2.gz MELUXPTVZYKUJQ-UHFFFAOYSA-N 1 0 299.327 1.255 20 5 CDBDRO CC[C@@H](C)[N@H+](CC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000595598461 343115291 /nfs/dbraw/zinc/11/52/91/343115291.db2.gz DJJQIVIGZVEZBL-LLVKDONJSA-N 1 0 267.329 1.877 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000079403894 342344237 /nfs/dbraw/zinc/34/42/37/342344237.db2.gz MZCRMMJVKICFDB-NSHDSACASA-N 1 0 292.339 1.623 20 5 CDBDRO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000595769047 343146518 /nfs/dbraw/zinc/14/65/18/343146518.db2.gz IVHNOVIDECDNOA-GXFFZTMASA-N 1 0 250.298 1.940 20 5 CDBDRO C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1CCO ZINC000595697456 343124963 /nfs/dbraw/zinc/12/49/63/343124963.db2.gz LISWWRLKZFGVPN-DGCLKSJQSA-N 1 0 282.344 1.274 20 5 CDBDRO CC[N@H+](C)C[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000078583754 342338595 /nfs/dbraw/zinc/33/85/95/342338595.db2.gz KBRNUDREWJQWGN-NSHDSACASA-N 1 0 264.329 1.768 20 5 CDBDRO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000595875581 343178276 /nfs/dbraw/zinc/17/82/76/343178276.db2.gz QYWYJWGUMGKSMG-IUODEOHRSA-N 1 0 294.351 1.924 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000595961453 343197108 /nfs/dbraw/zinc/19/71/08/343197108.db2.gz LYJDDGNVUKLDKH-UHFFFAOYSA-N 1 0 295.339 1.559 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])CCCC1 ZINC000595941377 343203679 /nfs/dbraw/zinc/20/36/79/343203679.db2.gz NIHWVOJZIAXCND-UHFFFAOYSA-N 1 0 277.324 1.905 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000595981953 343210671 /nfs/dbraw/zinc/21/06/71/343210671.db2.gz HOYHDZHBOUIYSN-VIFPVBQESA-N 1 0 251.286 1.241 20 5 CDBDRO Nc1c(F)c(N[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596087193 343232867 /nfs/dbraw/zinc/23/28/67/343232867.db2.gz GGLYUGJURDWRDP-QMMMGPOBSA-N 1 0 280.303 1.965 20 5 CDBDRO CC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000596270203 343281455 /nfs/dbraw/zinc/28/14/55/343281455.db2.gz WDDDDDWUTWFPLQ-SNVBAGLBSA-N 1 0 265.317 1.305 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NCCN1C[C@@H](C)OC[C@@H]1C ZINC000596434014 343320272 /nfs/dbraw/zinc/32/02/72/343320272.db2.gz WKLPJLRGMCPBQG-NWDGAFQWSA-N 1 0 294.355 1.241 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000596483304 343328349 /nfs/dbraw/zinc/32/83/49/343328349.db2.gz YOLNKFJBKGHVBJ-SNVBAGLBSA-N 1 0 280.328 1.147 20 5 CDBDRO CCc1nn(C)c(N(C)C[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000094159985 342430095 /nfs/dbraw/zinc/43/00/95/342430095.db2.gz BMKGOPHSUIWMAF-NSHDSACASA-N 1 0 295.387 1.669 20 5 CDBDRO CCOC(=O)[C@](C)(O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000274676848 362236356 /nfs/dbraw/zinc/23/63/56/362236356.db2.gz VDUSOKUDAZAMCZ-IINYFYTJSA-N 1 0 296.323 1.560 20 5 CDBDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000597218647 343483396 /nfs/dbraw/zinc/48/33/96/343483396.db2.gz QVTDYWWKLWODGV-TXEJJXNPSA-N 1 0 278.308 1.944 20 5 CDBDRO C[C@@H](NC(=O)N[C@]1(C)CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000597434040 343536003 /nfs/dbraw/zinc/53/60/03/343536003.db2.gz OBFQTUQGMQMHTE-QMTHXVAHSA-N 1 0 292.339 1.707 20 5 CDBDRO C[NH+](C)CC1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000597707305 343605764 /nfs/dbraw/zinc/60/57/64/343605764.db2.gz CYIRKDIUSKCQDW-UHFFFAOYSA-N 1 0 277.324 1.157 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000597859707 343648696 /nfs/dbraw/zinc/64/86/96/343648696.db2.gz FZSIALSWNLCZQD-SECBINFHSA-N 1 0 295.343 1.168 20 5 CDBDRO C[C@@H](CCNC(=O)COc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000597995056 343684269 /nfs/dbraw/zinc/68/42/69/343684269.db2.gz DVNHBTZNYQPFPC-NSHDSACASA-N 1 0 295.339 1.430 20 5 CDBDRO NC(=O)C[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000598618326 343844140 /nfs/dbraw/zinc/84/41/40/343844140.db2.gz WDVHRXPCYNBESV-SECBINFHSA-N 1 0 281.287 1.431 20 5 CDBDRO [NH3+][C@]12CCC[C@H]1CN(CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000598682869 343864396 /nfs/dbraw/zinc/86/43/96/343864396.db2.gz POIYGBWWYNCEMJ-WFASDCNBSA-N 1 0 291.351 1.787 20 5 CDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000598668472 343871367 /nfs/dbraw/zinc/87/13/67/343871367.db2.gz UHBYHSQVDAJIHP-BXUZGUMPSA-N 1 0 275.308 1.548 20 5 CDBDRO C[NH2+]CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598916606 343920488 /nfs/dbraw/zinc/92/04/88/343920488.db2.gz FBUNFBYGQYDKLD-UHFFFAOYSA-N 1 0 286.719 1.979 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000599587435 344093683 /nfs/dbraw/zinc/09/36/83/344093683.db2.gz LMTDUJFNYAMDRU-SNVBAGLBSA-N 1 0 294.311 1.013 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000599605480 344101275 /nfs/dbraw/zinc/10/12/75/344101275.db2.gz XZCHEKMWYVHNEX-JTQLQIEISA-N 1 0 294.311 1.013 20 5 CDBDRO O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)c1ccc([N+](=O)[O-])s1 ZINC000601974155 344301275 /nfs/dbraw/zinc/30/12/75/344301275.db2.gz MULPSQRVVKWOKO-PELKAZGASA-N 1 0 281.337 1.528 20 5 CDBDRO C[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000602433583 344424929 /nfs/dbraw/zinc/42/49/29/344424929.db2.gz MOHRPLRTLIHRPZ-WPRPVWTQSA-N 1 0 281.287 1.543 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000602596511 344502856 /nfs/dbraw/zinc/50/28/56/344502856.db2.gz PIMXDIWPHKTTQL-ZJUUUORDSA-N 1 0 263.297 1.465 20 5 CDBDRO CCc1ccc(C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000602597090 344503245 /nfs/dbraw/zinc/50/32/45/344503245.db2.gz UOEGHVUBTUQPTI-CABZTGNLSA-N 1 0 277.324 1.719 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000602597107 344503290 /nfs/dbraw/zinc/50/32/90/344503290.db2.gz UTVWLRLOCLZOGX-SCZZXKLOSA-N 1 0 297.742 1.739 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000602598957 344503951 /nfs/dbraw/zinc/50/39/51/344503951.db2.gz MAVDGFIZUJEENK-IONNQARKSA-N 1 0 283.715 1.810 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000602600291 344505025 /nfs/dbraw/zinc/50/50/25/344505025.db2.gz VEPSHQJYPKLZBX-KOLCDFICSA-N 1 0 263.297 1.085 20 5 CDBDRO CCN(CCO)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602619326 344498873 /nfs/dbraw/zinc/49/88/73/344498873.db2.gz MMKDNGRYBRSWCH-UHFFFAOYSA-N 1 0 281.356 1.041 20 5 CDBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])n1 ZINC000602623519 344500914 /nfs/dbraw/zinc/50/09/14/344500914.db2.gz HLLGHNJMZFIVMF-GXSJLCMTSA-N 1 0 250.302 1.703 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCOCCF)cc1 ZINC000602717500 344556254 /nfs/dbraw/zinc/55/62/54/344556254.db2.gz ZWRRUDJPYBCKGX-UHFFFAOYSA-N 1 0 256.277 1.713 20 5 CDBDRO CC[C@@H](CO)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000437097450 362439456 /nfs/dbraw/zinc/43/94/56/362439456.db2.gz PUWZCSSDGZIHHV-MNOVXSKESA-N 1 0 295.339 1.672 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@H]1CCCOC1 ZINC000602775329 344578286 /nfs/dbraw/zinc/57/82/86/344578286.db2.gz HUXHFWAAWPKVOG-GFCCVEGCSA-N 1 0 282.344 1.458 20 5 CDBDRO CC[C@@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602786195 344599138 /nfs/dbraw/zinc/59/91/38/344599138.db2.gz CRCFELYHHCIWPU-LLVKDONJSA-N 1 0 252.318 1.832 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000129026231 362485026 /nfs/dbraw/zinc/48/50/26/362485026.db2.gz DVSXCARHLDGZAY-SNVBAGLBSA-N 1 0 267.260 1.216 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000602838934 344620811 /nfs/dbraw/zinc/62/08/11/344620811.db2.gz CNSDXJKCGSBGPJ-CYZMBNFOSA-N 1 0 294.355 1.503 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000602914143 344647381 /nfs/dbraw/zinc/64/73/81/344647381.db2.gz RUFIPKOTGPJKOE-CMPLNLGQSA-N 1 0 282.344 1.050 20 5 CDBDRO C[NH+](C)CCc1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000603199903 344732254 /nfs/dbraw/zinc/73/22/54/344732254.db2.gz ZBTFHMAUEUUIRW-UHFFFAOYSA-N 1 0 289.339 1.533 20 5 CDBDRO C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000057715816 347084624 /nfs/dbraw/zinc/08/46/24/347084624.db2.gz JHJROUOOVYYEIC-JTQLQIEISA-N 1 0 277.324 1.807 20 5 CDBDRO C[C@H]1C[NH+](CCCNc2ncc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000273241092 192084271 /nfs/dbraw/zinc/08/42/71/192084271.db2.gz YTAXEKUOJPCANP-QWRGUYRKSA-N 1 0 295.343 1.296 20 5 CDBDRO CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)C1CC[NH+](C)CC1 ZINC000052929593 345308126 /nfs/dbraw/zinc/30/81/26/345308126.db2.gz WTCPQROZCYZKES-UHFFFAOYSA-N 1 0 266.301 1.089 20 5 CDBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000052954935 345309282 /nfs/dbraw/zinc/30/92/82/345309282.db2.gz YFPYSCIRSMLPMA-LLVKDONJSA-N 1 0 294.355 1.917 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000609548190 345631058 /nfs/dbraw/zinc/63/10/58/345631058.db2.gz UTBBQEXTEXTCRQ-CYBMUJFWSA-N 1 0 277.324 1.695 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](CO)C1 ZINC000265796586 362613062 /nfs/dbraw/zinc/61/30/62/362613062.db2.gz HJHWQYXMAXKEAN-LLVKDONJSA-N 1 0 266.297 1.288 20 5 CDBDRO CCOc1ccc(C(=O)N(C)CC[NH2+]C)cc1[N+](=O)[O-] ZINC000120618020 362622666 /nfs/dbraw/zinc/62/26/66/362622666.db2.gz FHVLBJIPPKOVIW-UHFFFAOYSA-N 1 0 281.312 1.285 20 5 CDBDRO CC1(C)CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000273268892 192094337 /nfs/dbraw/zinc/09/43/37/192094337.db2.gz GZZMZGLKDWRWSX-JTQLQIEISA-N 1 0 252.318 1.960 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000235644942 290771065 /nfs/dbraw/zinc/77/10/65/290771065.db2.gz FDABIRCZEWEYLB-OIBJUYFYSA-N 1 0 267.260 1.153 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCN1CCC1)OCCO2 ZINC000611039956 346590107 /nfs/dbraw/zinc/59/01/07/346590107.db2.gz RYBSEGQPBPBCGZ-UHFFFAOYSA-N 1 0 293.323 1.161 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CO)CC2CC2)c1 ZINC000611108201 346610173 /nfs/dbraw/zinc/61/01/73/346610173.db2.gz DNANNMUJCOVROP-GFCCVEGCSA-N 1 0 250.298 1.845 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000068469722 347564912 /nfs/dbraw/zinc/56/49/12/347564912.db2.gz OZOSKGGPSOLFOA-QMMMGPOBSA-N 1 0 255.274 1.258 20 5 CDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000122183311 347613760 /nfs/dbraw/zinc/61/37/60/347613760.db2.gz PQZLCMKZCHOACP-LBPRGKRZSA-N 1 0 268.317 1.037 20 5 CDBDRO C[N@@H+](Cc1ccsc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304344195 347615033 /nfs/dbraw/zinc/61/50/33/347615033.db2.gz QARQCLVYWJTCKX-GFCCVEGCSA-N 1 0 296.352 1.346 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC2CC2)CC1 ZINC000055668708 347849485 /nfs/dbraw/zinc/84/94/85/347849485.db2.gz SCOYWINREHQARY-UHFFFAOYSA-N 1 0 289.335 1.763 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H](n2cncn2)C1 ZINC000614420517 348106772 /nfs/dbraw/zinc/10/67/72/348106772.db2.gz XXNVDNREJFAIHS-SNVBAGLBSA-N 1 0 291.286 1.772 20 5 CDBDRO O=C([C@@H]1CCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000073783362 348287761 /nfs/dbraw/zinc/28/77/61/348287761.db2.gz AHSBAMSMYCIYNP-NSHDSACASA-N 1 0 261.281 1.236 20 5 CDBDRO Cc1nc(N2CCC[C@H](CC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000124129552 362892158 /nfs/dbraw/zinc/89/21/58/362892158.db2.gz ZREWYHCTNRRMND-LLVKDONJSA-N 1 0 264.329 1.863 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000273428515 192147857 /nfs/dbraw/zinc/14/78/57/192147857.db2.gz WVHWKDWLFYHOQE-QMTHXVAHSA-N 1 0 290.323 1.713 20 5 CDBDRO C[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000033093194 348697025 /nfs/dbraw/zinc/69/70/25/348697025.db2.gz LBIDDLNFYOZGQE-JTQLQIEISA-N 1 0 297.380 1.753 20 5 CDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000046954164 348802229 /nfs/dbraw/zinc/80/22/29/348802229.db2.gz WBZLLASSTRUARF-MNOVXSKESA-N 1 0 294.355 1.773 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000066137351 348974719 /nfs/dbraw/zinc/97/47/19/348974719.db2.gz PPESNMKYJFNQKT-LBPRGKRZSA-N 1 0 293.367 1.984 20 5 CDBDRO C[N@H+](CCN1CCCC1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000067412010 349023815 /nfs/dbraw/zinc/02/38/15/349023815.db2.gz HUZBAFUIMMVMLO-UHFFFAOYSA-N 1 0 277.324 1.649 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344554117 362937370 /nfs/dbraw/zinc/93/73/70/362937370.db2.gz GBFNNRANRPQVAM-SECBINFHSA-N 1 0 283.303 1.804 20 5 CDBDRO CC(C)[N@@H+]1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000068916289 349083836 /nfs/dbraw/zinc/08/38/36/349083836.db2.gz XVKZVUWULYXGRJ-UHFFFAOYSA-N 1 0 264.329 1.910 20 5 CDBDRO CCC[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000069091542 349089559 /nfs/dbraw/zinc/08/95/59/349089559.db2.gz LHQDXNSMTHDECD-GFCCVEGCSA-N 1 0 268.313 1.676 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000295156986 199376808 /nfs/dbraw/zinc/37/68/08/199376808.db2.gz DHCJLZATXLUTGU-SECBINFHSA-N 1 0 283.353 1.784 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000109066247 186242326 /nfs/dbraw/zinc/24/23/26/186242326.db2.gz NUDXEAXHOVKCDM-NXEZZACHSA-N 1 0 263.297 1.417 20 5 CDBDRO C[C@H]([NH3+])C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000110646420 186309338 /nfs/dbraw/zinc/30/93/38/186309338.db2.gz UFDIMMCJXULMKI-JTQLQIEISA-N 1 0 277.324 1.794 20 5 CDBDRO COc1ccc(C(=O)NCC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000110796361 186325023 /nfs/dbraw/zinc/32/50/23/186325023.db2.gz TVFDJEWCCOWNHT-SNVBAGLBSA-N 1 0 293.323 1.333 20 5 CDBDRO C[NH2+]CCCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000121139137 186953163 /nfs/dbraw/zinc/95/31/63/186953163.db2.gz IOGPBBMBDAVQIW-JTQLQIEISA-N 1 0 297.380 1.801 20 5 CDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000123215702 187078349 /nfs/dbraw/zinc/07/83/49/187078349.db2.gz WNZMAYUTDMGQGF-JTQLQIEISA-N 1 0 295.343 1.122 20 5 CDBDRO COc1ccc(NC(=O)[C@H]2CC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000136478225 363112051 /nfs/dbraw/zinc/11/20/51/363112051.db2.gz XKVOPOZDGMJBSH-SCZZXKLOSA-N 1 0 279.296 1.540 20 5 CDBDRO CO[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)[C@@H](C[NH3+])C1 ZINC000167342052 363157454 /nfs/dbraw/zinc/15/74/54/363157454.db2.gz QQBYZFYJBKRKTE-ZIAGYGMSSA-N 1 0 293.367 1.841 20 5 CDBDRO C[C@@H](CCCC[NH3+])NC(=O)c1ccccc1[N+](=O)[O-] ZINC000292039258 198142063 /nfs/dbraw/zinc/14/20/63/198142063.db2.gz HZKKAVXKIGMKJF-JTQLQIEISA-N 1 0 265.313 1.842 20 5 CDBDRO CCOC[C@@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292045322 198144705 /nfs/dbraw/zinc/14/47/05/198144705.db2.gz AXLVOOIEDLENJO-NSHDSACASA-N 1 0 282.340 1.817 20 5 CDBDRO C[C@H](CCCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000292065711 198151250 /nfs/dbraw/zinc/15/12/50/198151250.db2.gz KQQKHWKJGLZGNP-MRVPVSSYSA-N 1 0 271.342 1.904 20 5 CDBDRO C[NH+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152516763 188025447 /nfs/dbraw/zinc/02/54/47/188025447.db2.gz FJJPGDYMWQQVNC-UHFFFAOYSA-N 1 0 271.704 1.540 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000152562810 188029076 /nfs/dbraw/zinc/02/90/76/188029076.db2.gz RENYGGQQMJCMSZ-SECBINFHSA-N 1 0 297.742 1.930 20 5 CDBDRO COc1cc(C(=O)NCC(C)(C)[NH3+])ccc1[N+](=O)[O-] ZINC000156739377 188279137 /nfs/dbraw/zinc/27/91/37/188279137.db2.gz RFIRMZVWXWCUKG-UHFFFAOYSA-N 1 0 267.285 1.071 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000157209974 188304213 /nfs/dbraw/zinc/30/42/13/188304213.db2.gz GCBHYTAFKXTFOB-LBPRGKRZSA-N 1 0 297.380 1.786 20 5 CDBDRO C[NH+](C)CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000151753526 363237373 /nfs/dbraw/zinc/23/73/73/363237373.db2.gz VACOJVTZZORWJP-UHFFFAOYSA-N 1 0 265.313 1.205 20 5 CDBDRO Cc1c(NC(=O)[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000037029855 363316158 /nfs/dbraw/zinc/31/61/58/363316158.db2.gz QCUFPJNUEOGUSV-NSHDSACASA-N 1 0 251.286 1.825 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000293561676 198684136 /nfs/dbraw/zinc/68/41/36/198684136.db2.gz AHKOXZIRFPDXIG-VIFPVBQESA-N 1 0 280.328 1.105 20 5 CDBDRO C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000558747638 356043167 /nfs/dbraw/zinc/04/31/67/356043167.db2.gz HOBYDXLTEFYLQO-QMMMGPOBSA-N 1 0 283.332 1.024 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000379677568 357213761 /nfs/dbraw/zinc/21/37/61/357213761.db2.gz HNOCPBVLWZGCJO-KRZKBDHCSA-N 1 0 275.308 1.558 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290694546 357286379 /nfs/dbraw/zinc/28/63/79/357286379.db2.gz UZTIJMBNGVTIQA-SECBINFHSA-N 1 0 295.343 1.231 20 5 CDBDRO COc1cc(C(=O)NCC(C)(C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000159081362 357249964 /nfs/dbraw/zinc/24/99/64/357249964.db2.gz LUSXPEDUVOLGJJ-UHFFFAOYSA-N 1 0 295.339 1.673 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000566247830 357439516 /nfs/dbraw/zinc/43/95/16/357439516.db2.gz WBZIDCIYLRGKCY-GWCFXTLKSA-N 1 0 291.351 1.944 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000365809920 357487470 /nfs/dbraw/zinc/48/74/70/357487470.db2.gz HWHFVXYFNPLWCW-UHFFFAOYSA-N 1 0 294.355 1.721 20 5 CDBDRO CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CCC[N@H+](C)C1 ZINC000610187374 357490200 /nfs/dbraw/zinc/49/02/00/357490200.db2.gz AZKFWUQYHSZTRI-JTQLQIEISA-N 1 0 280.328 1.100 20 5 CDBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000264660159 357750776 /nfs/dbraw/zinc/75/07/76/357750776.db2.gz SQRHXEXOWFWZAT-NSHDSACASA-N 1 0 289.335 1.809 20 5 CDBDRO O=C(N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])s1 ZINC000361093895 357797896 /nfs/dbraw/zinc/79/78/96/357797896.db2.gz DFRWJFJUIKKAII-NXEZZACHSA-N 1 0 295.364 1.774 20 5 CDBDRO C[C@@H](NC(=O)[C@H]1C[C@H](F)C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000188359379 357884471 /nfs/dbraw/zinc/88/44/71/357884471.db2.gz CDQBCPCZRSOHII-UBHAPETDSA-N 1 0 281.287 1.472 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000286889653 358023788 /nfs/dbraw/zinc/02/37/88/358023788.db2.gz GBFYFIKJKVBJIA-VIFPVBQESA-N 1 0 299.758 1.857 20 5 CDBDRO CCOc1ccc(C(=O)N[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000126818338 358068478 /nfs/dbraw/zinc/06/84/78/358068478.db2.gz XUFVZOYKJXZOFZ-SNVBAGLBSA-N 1 0 279.296 1.085 20 5 CDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000192495571 358208914 /nfs/dbraw/zinc/20/89/14/358208914.db2.gz ZURLJSUXKOJDSA-AOOOYVTPSA-N 1 0 281.337 1.290 20 5 CDBDRO C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294780972 199180012 /nfs/dbraw/zinc/18/00/12/199180012.db2.gz NVDYXMFIOVEEMH-RNCFNFMXSA-N 1 0 297.380 1.696 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000193552238 358302966 /nfs/dbraw/zinc/30/29/66/358302966.db2.gz YDQJHWJTJAKBED-WPRPVWTQSA-N 1 0 278.312 1.047 20 5 CDBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000193580990 358305805 /nfs/dbraw/zinc/30/58/05/358305805.db2.gz WEIVIIZUAMWZGY-MFKMUULPSA-N 1 0 293.323 1.088 20 5 CDBDRO C[C@@H]([NH2+]C1CC1)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000294854906 199215527 /nfs/dbraw/zinc/21/55/27/199215527.db2.gz VGKCMQIXVKCXQT-SNVBAGLBSA-N 1 0 292.339 1.263 20 5 CDBDRO Cc1ccc(NC(=O)C2=CC[C@H]([NH3+])C2)c(N)c1[N+](=O)[O-] ZINC001579716019 1172247840 /nfs/dbraw/zinc/24/78/40/1172247840.db2.gz ZDBJWMPRWNZENB-VIFPVBQESA-N 1 0 276.296 1.471 20 5 CDBDRO CC[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000595403535 358644753 /nfs/dbraw/zinc/64/47/53/358644753.db2.gz CNMLKPXCYCHULH-RNCFNFMXSA-N 1 0 268.288 1.937 20 5 CDBDRO Cc1ncc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1C ZINC000566927112 358594659 /nfs/dbraw/zinc/59/46/59/358594659.db2.gz UZPHIOSVILFQDK-UHFFFAOYSA-N 1 0 274.324 1.969 20 5 CDBDRO CC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000058100281 358671116 /nfs/dbraw/zinc/67/11/16/358671116.db2.gz OHGXGZICMYLDCY-VIFPVBQESA-N 1 0 251.286 1.921 20 5 CDBDRO C[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000063159411 358812229 /nfs/dbraw/zinc/81/22/29/358812229.db2.gz OIJIIXZOBPCOHP-UHFFFAOYSA-N 1 0 280.328 1.005 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000186696053 358817364 /nfs/dbraw/zinc/81/73/64/358817364.db2.gz ULXRDGGVLABGFP-UFBFGSQYSA-N 1 0 281.287 1.462 20 5 CDBDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000341702436 358791898 /nfs/dbraw/zinc/79/18/98/358791898.db2.gz XDLXDPKQLCCHSH-AAEUAGOBSA-N 1 0 291.351 1.751 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@](C)(O)C[NH+](C)C ZINC000132923475 366494183 /nfs/dbraw/zinc/49/41/83/366494183.db2.gz KGIZDVZLJUQOGJ-ZDUSSCGKSA-N 1 0 267.329 1.628 20 5 CDBDRO CC(C)[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(N)=O ZINC000051477216 358833972 /nfs/dbraw/zinc/83/39/72/358833972.db2.gz XDRNIRPJYDVBBD-UHFFFAOYSA-N 1 0 281.312 1.169 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000408279392 358880117 /nfs/dbraw/zinc/88/01/17/358880117.db2.gz ZTFBREXPQHMAGY-SNVBAGLBSA-N 1 0 280.328 1.479 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000381507011 359056049 /nfs/dbraw/zinc/05/60/49/359056049.db2.gz UFIYLWFJGJLJLX-RNFRBKRXSA-N 1 0 271.704 1.714 20 5 CDBDRO C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000381507009 359056153 /nfs/dbraw/zinc/05/61/53/359056153.db2.gz UFIYLWFJGJLJLX-NKWVEPMBSA-N 1 0 271.704 1.714 20 5 CDBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000569689979 359255619 /nfs/dbraw/zinc/25/56/19/359255619.db2.gz CIXNNEIAUIYTHI-STQMWFEESA-N 1 0 277.324 1.599 20 5 CDBDRO O=C1NCCC[C@@H]1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000569806869 359263681 /nfs/dbraw/zinc/26/36/81/359263681.db2.gz IGBGZVSWKBHWGS-GFCCVEGCSA-N 1 0 289.335 1.479 20 5 CDBDRO C[N@H+](CCNc1ncnc2cccc([N+](=O)[O-])c21)C1CC1 ZINC000347403499 359349982 /nfs/dbraw/zinc/34/99/82/359349982.db2.gz WBKDHGPLJOROHW-UHFFFAOYSA-N 1 0 287.323 1.466 20 5 CDBDRO Cc1nn(C)c(NC[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000114709002 359494423 /nfs/dbraw/zinc/49/44/23/359494423.db2.gz CWDMPEKXMDFXCI-SECBINFHSA-N 1 0 253.306 1.143 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C1CC[NH2+]CC1 ZINC000049840668 359503370 /nfs/dbraw/zinc/50/33/70/359503370.db2.gz SCGIYJCACSWVLL-UHFFFAOYSA-N 1 0 281.287 1.558 20 5 CDBDRO CC[NH+](CC)CCCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290492755 366534715 /nfs/dbraw/zinc/53/47/15/366534715.db2.gz JNZOODMQXLINNG-UHFFFAOYSA-N 1 0 295.343 1.233 20 5 CDBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000050162586 359599553 /nfs/dbraw/zinc/59/95/53/359599553.db2.gz VOJWTCUKGODAEZ-WCQYABFASA-N 1 0 291.351 1.642 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCC1CC[NH2+]CC1 ZINC000297316540 200145667 /nfs/dbraw/zinc/14/56/67/200145667.db2.gz WNGMGLZVEYDDSM-UHFFFAOYSA-N 1 0 291.351 1.643 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C[C@@H]21 ZINC000408461716 359803739 /nfs/dbraw/zinc/80/37/39/359803739.db2.gz BBYCPHRZNCYWPH-PWSUYJOCSA-N 1 0 291.307 1.077 20 5 CDBDRO CC(C)[C@](C)([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000297654977 200254007 /nfs/dbraw/zinc/25/40/07/200254007.db2.gz NNAIDZIYGDZKNB-AWEZNQCLSA-N 1 0 295.339 1.463 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000548085121 360092961 /nfs/dbraw/zinc/09/29/61/360092961.db2.gz DVJSNUAXHSXIQK-JTQLQIEISA-N 1 0 295.343 1.168 20 5 CDBDRO CSC[C@@](C)(O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000217842626 360110050 /nfs/dbraw/zinc/11/00/50/360110050.db2.gz UYILOPXHORACPC-JTQLQIEISA-N 1 0 276.383 1.860 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000063020280 360132338 /nfs/dbraw/zinc/13/23/38/360132338.db2.gz JBWDAVXOIRABMV-VMPITWQZSA-N 1 0 263.297 1.462 20 5 CDBDRO [NH3+]C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCO1 ZINC000165586075 363733084 /nfs/dbraw/zinc/73/30/84/363733084.db2.gz GDJBVXMVZCDRKO-NSHDSACASA-N 1 0 299.714 1.048 20 5 CDBDRO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C1CCCC1 ZINC000348114237 360432037 /nfs/dbraw/zinc/43/20/37/360432037.db2.gz HIRXAGCIKXGKTM-UHFFFAOYSA-N 1 0 294.355 1.869 20 5 CDBDRO CC[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000177807549 189071289 /nfs/dbraw/zinc/07/12/89/189071289.db2.gz HWKPNSTWEWUSHZ-LBPRGKRZSA-N 1 0 279.340 1.893 20 5 CDBDRO COC[C@H](CCO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000219142358 360806488 /nfs/dbraw/zinc/80/64/88/360806488.db2.gz RBYICZMBYQPVCD-NSHDSACASA-N 1 0 284.312 1.090 20 5 CDBDRO CNC(=O)C1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000179822678 189222560 /nfs/dbraw/zinc/22/25/60/189222560.db2.gz NGPFXZFFMBKLDI-UHFFFAOYSA-N 1 0 291.351 1.861 20 5 CDBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCOCC1 ZINC000179837914 189223138 /nfs/dbraw/zinc/22/31/38/189223138.db2.gz BDFCNIDDBGSZDZ-SNVBAGLBSA-N 1 0 268.317 1.196 20 5 CDBDRO O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H](CO)C3)nc2c1 ZINC000267560360 361051201 /nfs/dbraw/zinc/05/12/01/361051201.db2.gz HBCRICVIRZZBGE-SNVBAGLBSA-N 1 0 291.307 1.940 20 5 CDBDRO Cn1c(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000345616675 361264778 /nfs/dbraw/zinc/26/47/78/361264778.db2.gz HCMDIMYFRAWLLW-JTQLQIEISA-N 1 0 292.339 1.147 20 5 CDBDRO COc1ccc(CN2CC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000168626721 361337383 /nfs/dbraw/zinc/33/73/83/361337383.db2.gz UPVSAEPPTGQZFF-CMPLNLGQSA-N 1 0 279.340 1.773 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000053202629 283658675 /nfs/dbraw/zinc/65/86/75/283658675.db2.gz WFUGNRMVCGSLRJ-SNVBAGLBSA-N 1 0 263.297 1.419 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000519599544 361423319 /nfs/dbraw/zinc/42/33/19/361423319.db2.gz NQHCIWVNLQOIGB-JQWIXIFHSA-N 1 0 277.324 1.252 20 5 CDBDRO C[NH2+]CCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000036280088 361418841 /nfs/dbraw/zinc/41/88/41/361418841.db2.gz LQNUCRNNUAZKBV-UHFFFAOYSA-N 1 0 271.704 1.588 20 5 CDBDRO COc1ccc(C[NH2+]C[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000223448999 361450899 /nfs/dbraw/zinc/45/08/99/361450899.db2.gz BUUULEGVJXKSQW-SNVBAGLBSA-N 1 0 294.229 1.616 20 5 CDBDRO CC[NH+]1CCC(Nc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000037998790 361516242 /nfs/dbraw/zinc/51/62/42/361516242.db2.gz VKQYLADDOSDKAZ-UHFFFAOYSA-N 1 0 267.333 1.533 20 5 CDBDRO C[C@H]1C[C@H](O)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000340914504 363946482 /nfs/dbraw/zinc/94/64/82/363946482.db2.gz RWSAKWUNSXXSCG-AAEUAGOBSA-N 1 0 280.324 1.819 20 5 CDBDRO CC[C@@H](COC)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000581998239 364060483 /nfs/dbraw/zinc/06/04/83/364060483.db2.gz AQVDQIAQEIWOIQ-NWDGAFQWSA-N 1 0 298.339 1.349 20 5 CDBDRO COC(=O)[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413492145 364068307 /nfs/dbraw/zinc/06/83/07/364068307.db2.gz CJTZCAWDVNCWEV-NSHDSACASA-N 1 0 293.323 1.136 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000366964253 364422035 /nfs/dbraw/zinc/42/20/35/364422035.db2.gz SQFHTPYQYNWHJG-YUMQZZPRSA-N 1 0 287.316 1.428 20 5 CDBDRO CNC(=O)[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000042342014 364563208 /nfs/dbraw/zinc/56/32/08/364563208.db2.gz LVHZWGQKAADEQD-VIFPVBQESA-N 1 0 251.286 1.127 20 5 CDBDRO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000270871994 366940025 /nfs/dbraw/zinc/94/00/25/366940025.db2.gz JIBJUMBNILWFCC-DGCLKSJQSA-N 1 0 250.298 1.798 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CO)[C@H]1C ZINC000386324502 366969657 /nfs/dbraw/zinc/96/96/57/366969657.db2.gz UOXGOCPQJPLTKL-GHMZBOCLSA-N 1 0 280.324 1.806 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000414657023 241306423 /nfs/dbraw/zinc/30/64/23/241306423.db2.gz JFRIWONKWKLFCQ-LLVKDONJSA-N 1 0 294.311 1.095 20 5 CDBDRO Cc1c(NC(=O)N[C@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000414706775 241343419 /nfs/dbraw/zinc/34/34/19/241343419.db2.gz OMPKUGJWOZIEHN-SSDOTTSWSA-N 1 0 252.274 1.372 20 5 CDBDRO COc1ccc(CNC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000414844001 367223510 /nfs/dbraw/zinc/22/35/10/367223510.db2.gz KKBIPUUQGSNREL-LLVKDONJSA-N 1 0 265.313 1.445 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417127284 242329270 /nfs/dbraw/zinc/32/92/70/242329270.db2.gz FRROTNATRVTYMD-IUCAKERBSA-N 1 0 266.301 1.302 20 5 CDBDRO C[C@H](NC(=O)N1CC[C@@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417128348 242330137 /nfs/dbraw/zinc/33/01/37/242330137.db2.gz IFEGHJLGNRGDLP-QWRGUYRKSA-N 1 0 292.339 1.646 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272539888 367750984 /nfs/dbraw/zinc/75/09/84/367750984.db2.gz XTJAQWSYXXMTKM-SECBINFHSA-N 1 0 278.312 1.001 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418619475 243283775 /nfs/dbraw/zinc/28/37/75/243283775.db2.gz OWZHWNSUXHORKM-JTQLQIEISA-N 1 0 292.339 1.616 20 5 CDBDRO COc1ccc(CN2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000330617372 203044976 /nfs/dbraw/zinc/04/49/76/203044976.db2.gz WLHAINLATCFZGB-NSHDSACASA-N 1 0 279.340 1.739 20 5 CDBDRO [NH3+]C1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC001580189142 1172370989 /nfs/dbraw/zinc/37/09/89/1172370989.db2.gz HZCZGXLMNACWOD-UHFFFAOYSA-N 1 0 269.276 1.154 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000089091476 368827248 /nfs/dbraw/zinc/82/72/48/368827248.db2.gz MXPHRZFCOCPTKC-NWDGAFQWSA-N 1 0 277.324 1.760 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000089090817 368856447 /nfs/dbraw/zinc/85/64/47/368856447.db2.gz CKYVEOLAVILGQZ-IONNQARKSA-N 1 0 269.326 1.514 20 5 CDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000420287705 244028945 /nfs/dbraw/zinc/02/89/45/244028945.db2.gz RKZWJJPBZKWFFI-RKDXNWHRSA-N 1 0 293.327 1.018 20 5 CDBDRO C[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000420333544 244098388 /nfs/dbraw/zinc/09/83/88/244098388.db2.gz HRLNJQQUZJPRBO-NSHDSACASA-N 1 0 292.339 1.217 20 5 CDBDRO C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000420378743 244173108 /nfs/dbraw/zinc/17/31/08/244173108.db2.gz QPCRWCNDHPUNDY-ZWNOBZJWSA-N 1 0 265.313 1.253 20 5 CDBDRO C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000420387954 244187159 /nfs/dbraw/zinc/18/71/59/244187159.db2.gz GPAKQQSNPDZJAP-RYUDHWBXSA-N 1 0 279.340 1.656 20 5 CDBDRO C[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420403576 244206521 /nfs/dbraw/zinc/20/65/21/244206521.db2.gz LEDRXPWLFXSCKU-QWHCGFSZSA-N 1 0 293.367 1.890 20 5 CDBDRO C[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420403574 244206978 /nfs/dbraw/zinc/20/69/78/244206978.db2.gz LEDRXPWLFXSCKU-OLZOCXBDSA-N 1 0 293.367 1.890 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC1CCC([NH+](C)C)CC1 ZINC000420623096 244289007 /nfs/dbraw/zinc/28/90/07/244289007.db2.gz HGYFLZSOTQEREC-UHFFFAOYSA-N 1 0 267.333 1.613 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420635830 244300737 /nfs/dbraw/zinc/30/07/37/244300737.db2.gz MLDYAEHNXUTGCM-NSHDSACASA-N 1 0 281.360 1.650 20 5 CDBDRO CC(C)C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000075624174 369437454 /nfs/dbraw/zinc/43/74/54/369437454.db2.gz PYKCDUAOLOSRLE-CYBMUJFWSA-N 1 0 282.344 1.273 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+]1C ZINC000330898251 203368170 /nfs/dbraw/zinc/36/81/70/203368170.db2.gz IBTXZQBZDOINAY-BDAKNGLRSA-N 1 0 266.301 1.135 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000351831235 369750003 /nfs/dbraw/zinc/75/00/03/369750003.db2.gz VZAMZZYAGBUMEA-MNOVXSKESA-N 1 0 293.323 1.169 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000295257717 369779632 /nfs/dbraw/zinc/77/96/32/369779632.db2.gz RAUCEOYAFRDADQ-SNVBAGLBSA-N 1 0 294.355 1.518 20 5 CDBDRO [NH3+]C1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000037669319 369786041 /nfs/dbraw/zinc/78/60/41/369786041.db2.gz NWUJVYZFKLYIEC-UHFFFAOYSA-N 1 0 267.260 1.297 20 5 CDBDRO Cc1cc(NCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000037760132 370078504 /nfs/dbraw/zinc/07/85/04/370078504.db2.gz YUYILZCMAYQRST-UHFFFAOYSA-N 1 0 278.356 1.563 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ccccc1[N+](=O)[O-] ZINC000036977106 296155356 /nfs/dbraw/zinc/15/53/56/296155356.db2.gz AMYJIYQGIMKNHQ-ZYHUDNBSSA-N 1 0 277.324 1.914 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000414926480 371107090 /nfs/dbraw/zinc/10/70/90/371107090.db2.gz NHCYHWVBVGETMW-VXGBXAGGSA-N 1 0 279.340 1.963 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000170914182 372025499 /nfs/dbraw/zinc/02/54/99/372025499.db2.gz MCILQCANJNDOOT-MRVPVSSYSA-N 1 0 269.326 1.338 20 5 CDBDRO CNC(=O)c1ccc(N2C[C@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000212662830 373020890 /nfs/dbraw/zinc/02/08/90/373020890.db2.gz RUVCFMWFZSRQLR-UWVGGRQHSA-N 1 0 292.339 1.128 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H]2CO)c1 ZINC000269638120 373241630 /nfs/dbraw/zinc/24/16/30/373241630.db2.gz IECOTFYYDJRBAZ-QWHCGFSZSA-N 1 0 266.297 1.085 20 5 CDBDRO Cc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000161389830 373515068 /nfs/dbraw/zinc/51/50/68/373515068.db2.gz RRNLPTUESBXZOC-NEPJUHHUSA-N 1 0 277.324 1.903 20 5 CDBDRO [NH3+]CCCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000272952107 373603136 /nfs/dbraw/zinc/60/31/36/373603136.db2.gz MDODCJFTXKYNNT-UHFFFAOYSA-N 1 0 277.280 1.810 20 5 CDBDRO Nc1ccc(C(=O)N[C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000368376221 373832297 /nfs/dbraw/zinc/83/22/97/373832297.db2.gz LOCKSVRBRCRNSF-LBPRGKRZSA-N 1 0 290.323 1.049 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000168983347 373852004 /nfs/dbraw/zinc/85/20/04/373852004.db2.gz DYWBUMPJNMBZBQ-QMMMGPOBSA-N 1 0 266.301 1.056 20 5 CDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000123180915 373987709 /nfs/dbraw/zinc/98/77/09/373987709.db2.gz FPSWUWGZTQZCQT-GFCCVEGCSA-N 1 0 291.351 1.975 20 5 CDBDRO CC[N@H+](CCCO)CCOc1ccccc1[N+](=O)[O-] ZINC000266594441 374179234 /nfs/dbraw/zinc/17/92/34/374179234.db2.gz VAPYFLUJIPYESG-UHFFFAOYSA-N 1 0 268.313 1.678 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000311624914 374261241 /nfs/dbraw/zinc/26/12/41/374261241.db2.gz XWWGRQIQRCOHLM-VIFPVBQESA-N 1 0 266.301 1.844 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000418491748 374263180 /nfs/dbraw/zinc/26/31/80/374263180.db2.gz ORKMCCJQCDFXPL-JTQLQIEISA-N 1 0 294.355 1.724 20 5 CDBDRO C[C@@H]1[N@H+](CCn2ccc([N+](=O)[O-])n2)CCC12CCOCC2 ZINC000368834066 374331980 /nfs/dbraw/zinc/33/19/80/374331980.db2.gz MDJRNTFPPDYGRK-LBPRGKRZSA-N 1 0 294.355 1.682 20 5 CDBDRO Cc1cc(C(=O)N(C)CC(C)(C)C[NH3+])ccc1[N+](=O)[O-] ZINC000093873373 374342924 /nfs/dbraw/zinc/34/29/24/374342924.db2.gz AKDMHJWLJCKHGX-UHFFFAOYSA-N 1 0 279.340 1.960 20 5 CDBDRO O=C1NC[C@@H]2[C@H]1CCCN2Cc1ccc([N+](=O)[O-])cc1 ZINC000369603549 374357866 /nfs/dbraw/zinc/35/78/66/374357866.db2.gz MGFPNLDQOFWXAP-CHWSQXEVSA-N 1 0 275.308 1.305 20 5 CDBDRO O=C1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCCN12 ZINC000313798908 374359786 /nfs/dbraw/zinc/35/97/86/374359786.db2.gz LJCNQRHMELAMOS-KBPBESRZSA-N 1 0 289.335 1.838 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(n3cccn3)CC2)c1 ZINC000370001489 374374044 /nfs/dbraw/zinc/37/40/44/374374044.db2.gz IHVYYMDOZKRMPO-UHFFFAOYSA-N 1 0 290.327 1.325 20 5 CDBDRO COc1cccc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c1[N+](=O)[O-] ZINC000423440651 374381437 /nfs/dbraw/zinc/38/14/37/374381437.db2.gz AUHOBYBNQAKHRI-NXEZZACHSA-N 1 0 293.323 1.413 20 5 CDBDRO CSc1ccc(C(=O)N(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000424002709 246282842 /nfs/dbraw/zinc/28/28/42/246282842.db2.gz JJXPPTOFWBSPFQ-UHFFFAOYSA-N 1 0 269.326 1.347 20 5 CDBDRO CCOc1ccc(C(=O)NC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000429192677 374570128 /nfs/dbraw/zinc/57/01/28/374570128.db2.gz IMPKZNHGHGLHIY-NSHDSACASA-N 1 0 295.339 1.707 20 5 CDBDRO Cc1ccoc1C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000429379196 374583561 /nfs/dbraw/zinc/58/35/61/374583561.db2.gz JBHYMKSIORVRQH-UHFFFAOYSA-N 1 0 264.285 1.825 20 5 CDBDRO [NH3+][C@@H]1C[C@@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000424199421 246384516 /nfs/dbraw/zinc/38/45/16/246384516.db2.gz YRUUGPALKYQFEP-QWHCGFSZSA-N 1 0 275.308 1.433 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H](CO)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000447968769 374728012 /nfs/dbraw/zinc/72/80/12/374728012.db2.gz RUMWOOKKIILYHD-GXTWGEPZSA-N 1 0 280.324 1.533 20 5 CDBDRO CCOCC[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000093311918 374741152 /nfs/dbraw/zinc/74/11/52/374741152.db2.gz OOTDWUWJOVXZDQ-CYBMUJFWSA-N 1 0 298.339 1.303 20 5 CDBDRO [NH3+]C1CCN(c2cnc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000095072386 374864441 /nfs/dbraw/zinc/86/44/41/374864441.db2.gz CQWKBWMCLYRLRM-UHFFFAOYSA-N 1 0 273.296 1.466 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000277510689 374956017 /nfs/dbraw/zinc/95/60/17/374956017.db2.gz KKELBAOSFSRWDP-VKNKMKLNSA-N 1 0 289.335 1.722 20 5 CDBDRO CC1=C(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000280488708 374998234 /nfs/dbraw/zinc/99/82/34/374998234.db2.gz BAIQFYAOXPAZQH-ZDUSSCGKSA-N 1 0 280.328 1.194 20 5 CDBDRO CCOCC[C@@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282495910 375090411 /nfs/dbraw/zinc/09/04/11/375090411.db2.gz QIJXPJFZPYRWPS-OAHLLOKOSA-N 1 0 296.367 1.857 20 5 CDBDRO Cc1ccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000097092618 375146213 /nfs/dbraw/zinc/14/62/13/375146213.db2.gz ROSQAAFMNHIJDS-NXEZZACHSA-N 1 0 263.297 1.969 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000162240101 375299470 /nfs/dbraw/zinc/29/94/70/375299470.db2.gz AUBFDWBFCQAYNK-JGVFFNPUSA-N 1 0 269.326 1.656 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000131840908 375361901 /nfs/dbraw/zinc/36/19/01/375361901.db2.gz TZDGCLPBILENDI-UWVGGRQHSA-N 1 0 263.297 1.404 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000131933458 375385652 /nfs/dbraw/zinc/38/56/52/375385652.db2.gz CUGVLIDOGYILAW-YUMQZZPRSA-N 1 0 269.326 1.466 20 5 CDBDRO C[C@@H]1CSC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000352797200 375541261 /nfs/dbraw/zinc/54/12/61/375541261.db2.gz IFCDJJZXNPQLNG-BDAKNGLRSA-N 1 0 256.331 1.132 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132791710 375593935 /nfs/dbraw/zinc/59/39/35/375593935.db2.gz SECCOVLCHHRBMD-NOZJJQNGSA-N 1 0 295.314 1.981 20 5 CDBDRO Cc1nc(NC[C@@](C)(O)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000132993430 375658914 /nfs/dbraw/zinc/65/89/14/375658914.db2.gz QSQSPFJTHIVICH-GFCCVEGCSA-N 1 0 268.317 1.023 20 5 CDBDRO [NH3+]CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C(F)F ZINC000383456593 375707436 /nfs/dbraw/zinc/70/74/36/375707436.db2.gz IPFUMVLFUYHNAD-SECBINFHSA-N 1 0 291.229 1.446 20 5 CDBDRO CNC(=O)CCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000228484473 375767302 /nfs/dbraw/zinc/76/73/02/375767302.db2.gz NGYCDWNQJHPSJL-UHFFFAOYSA-N 1 0 288.307 1.999 20 5 CDBDRO C[C@](CO)([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000355335785 375790656 /nfs/dbraw/zinc/79/06/56/375790656.db2.gz PASVEIRLDCTUDB-CQSZACIVSA-N 1 0 296.371 1.712 20 5 CDBDRO CNc1ccc(C(=O)NCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000058954762 375848890 /nfs/dbraw/zinc/84/88/90/375848890.db2.gz GKJGOVXNSGFZPJ-UHFFFAOYSA-N 1 0 292.339 1.461 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCCN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357090203 375883318 /nfs/dbraw/zinc/88/33/18/375883318.db2.gz ZWTACKXNDVMEPD-OLZOCXBDSA-N 1 0 291.351 1.515 20 5 CDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C1C[NH2+]C1 ZINC000357101124 375885373 /nfs/dbraw/zinc/88/53/73/375885373.db2.gz GHRLHOKZYBAXNU-UHFFFAOYSA-N 1 0 279.340 1.786 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000261750684 190043764 /nfs/dbraw/zinc/04/37/64/190043764.db2.gz NITRQZWOMPKEKF-MRVPVSSYSA-N 1 0 277.280 1.679 20 5 CDBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000347385059 376072787 /nfs/dbraw/zinc/07/27/87/376072787.db2.gz ZMFNBVAGOMOXBK-LLVKDONJSA-N 1 0 292.339 1.670 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000433057071 247978677 /nfs/dbraw/zinc/97/86/77/247978677.db2.gz KBMDHLVKPINWDE-VQXHTEKXSA-N 1 0 264.329 1.997 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435245577 248161795 /nfs/dbraw/zinc/16/17/95/248161795.db2.gz CSFQBWSCXDLPGU-AWEZNQCLSA-N 1 0 291.351 1.930 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000189307292 377229457 /nfs/dbraw/zinc/22/94/57/377229457.db2.gz RFSTZBHJZDSMNS-MFKMUULPSA-N 1 0 277.324 1.394 20 5 CDBDRO Cc1c(NC(=O)C[NH2+]C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000232742122 377407924 /nfs/dbraw/zinc/40/79/24/377407924.db2.gz BGSWDOSOGLZHNJ-NSHDSACASA-N 1 0 293.323 1.610 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000221460849 284666944 /nfs/dbraw/zinc/66/69/44/284666944.db2.gz LSMYWEOGHJLETC-WCQYABFASA-N 1 0 275.308 1.419 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000129553712 377718321 /nfs/dbraw/zinc/71/83/21/377718321.db2.gz MJEAXRNQAKFHIU-QWHCGFSZSA-N 1 0 280.324 1.852 20 5 CDBDRO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000385671947 377844488 /nfs/dbraw/zinc/84/44/88/377844488.db2.gz HPXUCFDNXBFCGN-JQWIXIFHSA-N 1 0 250.298 1.798 20 5 CDBDRO Cc1cccc(NC[C@@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000218853345 377846575 /nfs/dbraw/zinc/84/65/75/377846575.db2.gz MJLIVNUCEGYLGZ-GFCCVEGCSA-N 1 0 278.356 1.561 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000449639814 250945990 /nfs/dbraw/zinc/94/59/90/250945990.db2.gz QRUOLTLCZUGYLX-RKDXNWHRSA-N 1 0 266.301 1.170 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000449643418 250947505 /nfs/dbraw/zinc/94/75/05/250947505.db2.gz YXNVWSNAPIYCDR-STQMWFEESA-N 1 0 291.351 1.771 20 5 CDBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])c[nH]1 ZINC000449680518 250966289 /nfs/dbraw/zinc/96/62/89/250966289.db2.gz BYYZLNGYSUISJO-SECBINFHSA-N 1 0 266.301 1.185 20 5 CDBDRO CC[N@H+](CCNc1ncc([N+](=O)[O-])c(C)n1)C(C)C ZINC000450303478 251215723 /nfs/dbraw/zinc/21/57/23/251215723.db2.gz JKZPLEWSLGUFOB-UHFFFAOYSA-N 1 0 267.333 1.257 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000450289591 251210576 /nfs/dbraw/zinc/21/05/76/251210576.db2.gz PBSVWWFKNJFXBJ-NSHDSACASA-N 1 0 279.344 1.259 20 5 CDBDRO CCc1nn(C)c(N2CC[NH+]([C@H](C)CC)CC2)c1[N+](=O)[O-] ZINC000450858695 251513065 /nfs/dbraw/zinc/51/30/65/251513065.db2.gz LTUZLENGBGUXHC-LLVKDONJSA-N 1 0 295.387 1.811 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@H]2C[C@@H](O)C2)n1 ZINC000453347313 285170383 /nfs/dbraw/zinc/17/03/83/285170383.db2.gz BOIDMBNMNTWNTJ-KXNHARMFSA-N 1 0 280.328 1.388 20 5 CDBDRO Cc1n[nH]c(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1[N+](=O)[O-] ZINC000288538830 197105900 /nfs/dbraw/zinc/10/59/00/197105900.db2.gz AEGFOHZFRWVQSZ-MGCOHNPYSA-N 1 0 295.343 1.121 20 5 CDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCC[NH2+]1 ZINC000080998316 177752215 /nfs/dbraw/zinc/75/22/15/177752215.db2.gz AHNNUBWPVUMTIL-CQSZACIVSA-N 1 0 291.351 1.786 20 5 CDBDRO C[NH+](C)C1(CNc2ccc(N)cc2[N+](=O)[O-])CCOCC1 ZINC000286643003 196665456 /nfs/dbraw/zinc/66/54/56/196665456.db2.gz BXEJJNNMJSCAED-UHFFFAOYSA-N 1 0 294.355 1.700 20 5 CDBDRO CC[C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1OC)[NH+](C)C ZINC000157618836 390188090 /nfs/dbraw/zinc/18/80/90/390188090.db2.gz MBIKKSYCSSSWBA-GFCCVEGCSA-N 1 0 295.339 1.560 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000285930124 390188192 /nfs/dbraw/zinc/18/81/92/390188192.db2.gz FLRIKKWYSWFZMV-JRKPZEMJSA-N 1 0 292.339 1.293 20 5 CDBDRO Cc1nc(N(C)C[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000420636325 390588550 /nfs/dbraw/zinc/58/85/50/390588550.db2.gz NAZXOKKVXOAHEV-NSHDSACASA-N 1 0 264.329 1.829 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000451479235 390625628 /nfs/dbraw/zinc/62/56/28/390625628.db2.gz MIJPZOGGYMARRD-JLLWLGSASA-N 1 0 294.355 1.622 20 5 CDBDRO CC[C@@]1(CO)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000187581412 390859047 /nfs/dbraw/zinc/85/90/47/390859047.db2.gz CJDOAODOYIVGCW-CYBMUJFWSA-N 1 0 282.344 1.276 20 5 CDBDRO Cc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000395388500 390882507 /nfs/dbraw/zinc/88/25/07/390882507.db2.gz VOBVKPASJWIGTA-RNCFNFMXSA-N 1 0 265.288 1.840 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCN(C)C1 ZINC000449243588 390821885 /nfs/dbraw/zinc/82/18/85/390821885.db2.gz LWHCOSQRDKBWLE-IUODEOHRSA-N 1 0 293.367 1.182 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000452121337 391067604 /nfs/dbraw/zinc/06/76/04/391067604.db2.gz SPDPDTYRXRRORJ-GFCCVEGCSA-N 1 0 281.360 1.206 20 5 CDBDRO C[C@H]1[NH2+]CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000436070031 391176368 /nfs/dbraw/zinc/17/63/68/391176368.db2.gz ZQYPAJJDEOBKIX-VXGBXAGGSA-N 1 0 279.340 1.656 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH2+]C[C@@H]1C(F)F ZINC000518535144 391190970 /nfs/dbraw/zinc/19/09/70/391190970.db2.gz YUXKIRSTFLNYFH-GFCCVEGCSA-N 1 0 285.294 1.942 20 5 CDBDRO CC(C)[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000413256244 391186586 /nfs/dbraw/zinc/18/65/86/391186586.db2.gz BUUAZTFPVTVFSC-GFCCVEGCSA-N 1 0 282.319 1.905 20 5 CDBDRO C[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000412395519 391281943 /nfs/dbraw/zinc/28/19/43/391281943.db2.gz SCRLHIODVQGIBA-NSHDSACASA-N 1 0 293.367 1.939 20 5 CDBDRO CC(C)(C[NH3+])C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000150755118 391432694 /nfs/dbraw/zinc/43/26/94/391432694.db2.gz FUNTZHSMRKJPEM-UHFFFAOYSA-N 1 0 280.328 1.108 20 5 CDBDRO CNc1ccc(C(=O)NC(C)(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000520585370 391466691 /nfs/dbraw/zinc/46/66/91/391466691.db2.gz NYGSUBMASAIWAI-UHFFFAOYSA-N 1 0 294.355 1.884 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415629927 391469427 /nfs/dbraw/zinc/46/94/27/391469427.db2.gz JJCJLCJIMPIXIX-NSHDSACASA-N 1 0 284.291 1.839 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415628935 391469638 /nfs/dbraw/zinc/46/96/38/391469638.db2.gz HCFFMCRJECFPRV-SCZZXKLOSA-N 1 0 296.302 1.983 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CC[NH3+] ZINC000415659202 391470856 /nfs/dbraw/zinc/47/08/56/391470856.db2.gz ONODAIURUAVXGG-VIFPVBQESA-N 1 0 296.327 1.852 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[NH3+] ZINC000415768845 391471223 /nfs/dbraw/zinc/47/12/23/391471223.db2.gz VZDKSSIPPMZMLT-UHFFFAOYSA-N 1 0 266.301 1.580 20 5 CDBDRO CCOC[C@@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268973552 391476408 /nfs/dbraw/zinc/47/64/08/391476408.db2.gz INSZDWGWWQRORQ-YPMHNXCESA-N 1 0 282.340 1.951 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH3+])c1 ZINC000237280853 391578382 /nfs/dbraw/zinc/57/83/82/391578382.db2.gz UDGKLLFGCYSKTK-QMMMGPOBSA-N 1 0 283.353 1.641 20 5 CDBDRO CC(C)C(=O)NCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449065523 391676819 /nfs/dbraw/zinc/67/68/19/391676819.db2.gz ZQRVBYNZBJJTFS-GFCCVEGCSA-N 1 0 293.367 1.888 20 5 CDBDRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000184796224 391750973 /nfs/dbraw/zinc/75/09/73/391750973.db2.gz NMOAFCIQMBZVPA-RYUDHWBXSA-N 1 0 277.324 1.729 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000191733029 130290035 /nfs/dbraw/zinc/29/00/35/130290035.db2.gz DDOBPDXNGPJMIM-PWSUYJOCSA-N 1 0 250.298 1.655 20 5 CDBDRO CC(C)[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000487122180 391991591 /nfs/dbraw/zinc/99/15/91/391991591.db2.gz UVRNWOIBALKVBU-NSHDSACASA-N 1 0 265.317 1.161 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH3+])c1 ZINC000237280716 131020263 /nfs/dbraw/zinc/02/02/63/131020263.db2.gz YDKBQAYPVOEEOE-UHFFFAOYSA-N 1 0 283.353 1.784 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@@H](C)C2)c1 ZINC000237333101 131024781 /nfs/dbraw/zinc/02/47/81/131024781.db2.gz IEUXWFWEHXXQIU-VIFPVBQESA-N 1 0 295.364 1.751 20 5 CDBDRO C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000248962002 131120117 /nfs/dbraw/zinc/12/01/17/131120117.db2.gz RCWCPIRHAWWVRJ-FZMZJTMJSA-N 1 0 264.325 1.840 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261770374 131167822 /nfs/dbraw/zinc/16/78/22/131167822.db2.gz VZNINCFRCIJCEW-ZJUUUORDSA-N 1 0 293.298 1.415 20 5 CDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261795616 131169418 /nfs/dbraw/zinc/16/94/18/131169418.db2.gz YGZBAQXHEVLJJH-JOYOIKCWSA-N 1 0 293.298 1.558 20 5 CDBDRO Cc1sc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000262721523 131255865 /nfs/dbraw/zinc/25/58/65/131255865.db2.gz FVBDCNFIMMVOIO-APPZFPTMSA-N 1 0 283.353 1.693 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000262816431 131264801 /nfs/dbraw/zinc/26/48/01/131264801.db2.gz PCVVYDWXQDHOTQ-LDYMZIIASA-N 1 0 297.742 1.976 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000262827316 131265069 /nfs/dbraw/zinc/26/50/69/131265069.db2.gz PZTITRFTDHVFBG-GHMZBOCLSA-N 1 0 292.339 1.121 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000262840786 131266677 /nfs/dbraw/zinc/26/66/77/131266677.db2.gz RHDYYFRICVLAPC-XVKPBYJWSA-N 1 0 296.302 1.044 20 5 CDBDRO COC(=O)c1cnc(NC[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000488975064 392842785 /nfs/dbraw/zinc/84/27/85/392842785.db2.gz DILRSTQPNDUBLU-VIFPVBQESA-N 1 0 296.327 1.386 20 5 CDBDRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000419804400 392897833 /nfs/dbraw/zinc/89/78/33/392897833.db2.gz DALXGDFQPYVECV-QWHCGFSZSA-N 1 0 268.313 1.206 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420583779 392919276 /nfs/dbraw/zinc/91/92/76/392919276.db2.gz LAKCICJQCITPJM-SNVBAGLBSA-N 1 0 294.355 1.836 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417759057 392874570 /nfs/dbraw/zinc/87/45/70/392874570.db2.gz DFXNLKLTJLJAFJ-LLVKDONJSA-N 1 0 294.355 1.292 20 5 CDBDRO CCC[C@@H]([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269144883 132119890 /nfs/dbraw/zinc/11/98/90/132119890.db2.gz ZTRDZOHCKOUDCT-LLVKDONJSA-N 1 0 285.731 1.992 20 5 CDBDRO [NH3+]C[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000269178807 132126241 /nfs/dbraw/zinc/12/62/41/132126241.db2.gz ZXDQZGJXRGBSIO-SECBINFHSA-N 1 0 289.291 1.762 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000269217168 132134087 /nfs/dbraw/zinc/13/40/87/132134087.db2.gz RCXDAYBKFFXMHN-VIFPVBQESA-N 1 0 297.742 1.978 20 5 CDBDRO Cc1cc(NC[C@H]2CN3CCN2CC3)ccc1[N+](=O)[O-] ZINC000269461747 132174130 /nfs/dbraw/zinc/17/41/30/132174130.db2.gz HDFINVIWGBJKDZ-ZDUSSCGKSA-N 1 0 276.340 1.315 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000423607538 392965559 /nfs/dbraw/zinc/96/55/59/392965559.db2.gz MWSNVSIDKMBMJC-SNVBAGLBSA-N 1 0 279.340 1.560 20 5 CDBDRO C[N@@H+]1CC[C@H]2CCN(c3ncccc3[N+](=O)[O-])[C@H]2C1 ZINC000272190777 393013320 /nfs/dbraw/zinc/01/33/20/393013320.db2.gz MHOYBHZSEGEQHT-JQWIXIFHSA-N 1 0 262.313 1.520 20 5 CDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000429772575 393085279 /nfs/dbraw/zinc/08/52/79/393085279.db2.gz JKYMBWGCHGHRDH-KGLIPLIRSA-N 1 0 291.351 1.642 20 5 CDBDRO CC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430201966 393090830 /nfs/dbraw/zinc/09/08/30/393090830.db2.gz KZLGFHTXTVLDFI-UHFFFAOYSA-N 1 0 279.340 1.741 20 5 CDBDRO C[C@@H]([NH3+])CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000430428815 393099513 /nfs/dbraw/zinc/09/95/13/393099513.db2.gz TXHNFZRYQHICFO-SECBINFHSA-N 1 0 265.313 1.683 20 5 CDBDRO [NH3+]C[C@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000430580464 393100878 /nfs/dbraw/zinc/10/08/78/393100878.db2.gz HNGKAVDZPZGKLL-LLVKDONJSA-N 1 0 265.313 1.397 20 5 CDBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000081527266 393064547 /nfs/dbraw/zinc/06/45/47/393064547.db2.gz LKVLBWRSQHHVAC-SNVBAGLBSA-N 1 0 295.339 1.417 20 5 CDBDRO CC[C@@H](O)C[NH+]1CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000275531136 393113431 /nfs/dbraw/zinc/11/34/31/393113431.db2.gz YBVIQTISHFDZHI-CYBMUJFWSA-N 1 0 293.367 1.796 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000449641162 393137851 /nfs/dbraw/zinc/13/78/51/393137851.db2.gz UNVUTCVYAOYSTI-RKDXNWHRSA-N 1 0 283.353 1.904 20 5 CDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000302155422 393197217 /nfs/dbraw/zinc/19/72/17/393197217.db2.gz MKCHSKWJSGGQNY-NSHDSACASA-N 1 0 265.317 1.161 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351943446 393207455 /nfs/dbraw/zinc/20/74/55/393207455.db2.gz GEPWLQBVVBACJQ-BREBYQMCSA-N 1 0 250.298 1.968 20 5 CDBDRO Cc1cccc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)c1[N+](=O)[O-] ZINC000132028412 393211086 /nfs/dbraw/zinc/21/10/86/393211086.db2.gz JVXQSESDZOTNJB-MNOVXSKESA-N 1 0 277.324 1.713 20 5 CDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000165952927 139927544 /nfs/dbraw/zinc/92/75/44/139927544.db2.gz NJABOQXEIDUHHA-AOOOYVTPSA-N 1 0 279.271 1.025 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2CC[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000178582347 140005733 /nfs/dbraw/zinc/00/57/33/140005733.db2.gz WOSONAOVRSOKPN-VIFPVBQESA-N 1 0 281.287 1.463 20 5 CDBDRO C[C@@H]([NH2+]C[C@H](O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000224472633 140174045 /nfs/dbraw/zinc/17/40/45/140174045.db2.gz CMYPPVYYOJQTDB-XCBNKYQSSA-N 1 0 260.240 1.871 20 5 CDBDRO Cc1c(CNC(=O)C2([NH3+])CCCC2)cccc1[N+](=O)[O-] ZINC000231855966 140220111 /nfs/dbraw/zinc/22/01/11/140220111.db2.gz NANPEBHUILZKLU-UHFFFAOYSA-N 1 0 277.324 1.791 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000232231757 140220818 /nfs/dbraw/zinc/22/08/18/140220818.db2.gz MCPDXPUUSRBWJN-NSHDSACASA-N 1 0 263.297 1.467 20 5 CDBDRO Cn1c(C(=O)N[C@H](C[NH3+])C(C)(C)C)ccc1[N+](=O)[O-] ZINC000261559928 140348243 /nfs/dbraw/zinc/34/82/43/140348243.db2.gz ZUSPJSLUCKRUKC-SECBINFHSA-N 1 0 268.317 1.037 20 5 CDBDRO C[C@]1(C[NH3+])CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000261566039 140348830 /nfs/dbraw/zinc/34/88/30/140348830.db2.gz IBTKUPLAGGTHIV-LLVKDONJSA-N 1 0 270.720 1.818 20 5 CDBDRO C[C@]1(C[NH3+])CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000261574395 140352351 /nfs/dbraw/zinc/35/23/51/140352351.db2.gz BBKQVKFITDVDJD-LLVKDONJSA-N 1 0 281.341 1.479 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CC[C@@]3(CC[NH2+]C3)C2)c(F)c1 ZINC000261696779 140376828 /nfs/dbraw/zinc/37/68/28/140376828.db2.gz IBXASHVMQYQJEE-CQSZACIVSA-N 1 0 279.315 1.919 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261827000 140395308 /nfs/dbraw/zinc/39/53/08/140395308.db2.gz IBZDLHXEVWIIIU-CQSZACIVSA-N 1 0 293.323 1.414 20 5 CDBDRO CCc1ccc(C(=O)N[C@@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000349962317 397603544 /nfs/dbraw/zinc/60/35/44/397603544.db2.gz NEORFLCQIBFKJY-VIFPVBQESA-N 1 0 265.313 1.624 20 5 CDBDRO C[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)[NH+](C)C ZINC000286107426 397757768 /nfs/dbraw/zinc/75/77/68/397757768.db2.gz LLQHITHBISLWFT-SSDOTTSWSA-N 1 0 281.341 1.962 20 5 CDBDRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000036257886 397923478 /nfs/dbraw/zinc/92/34/78/397923478.db2.gz GWWGCPHPIIMRCB-VIFPVBQESA-N 1 0 278.312 1.327 20 5 CDBDRO Cc1nn(C)c(N(C)CC(C)(C)C[NH3+])c1[N+](=O)[O-] ZINC000093874560 147072047 /nfs/dbraw/zinc/07/20/47/147072047.db2.gz MOOVBKRAPZUJLF-UHFFFAOYSA-N 1 0 255.322 1.058 20 5 CDBDRO Cc1c(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000168697935 147760124 /nfs/dbraw/zinc/76/01/24/147760124.db2.gz CQJJFRGFXGRACW-GHMZBOCLSA-N 1 0 277.324 1.713 20 5 CDBDRO C[C@H]([NH3+])C1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000178824473 148093270 /nfs/dbraw/zinc/09/32/70/148093270.db2.gz HCRBGRCLPADEOU-VIFPVBQESA-N 1 0 292.339 1.376 20 5 CDBDRO COCC[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000311471640 149214645 /nfs/dbraw/zinc/21/46/45/149214645.db2.gz YOBVGKOHTYYOIH-JTQLQIEISA-N 1 0 272.276 1.221 20 5 CDBDRO [NH3+]C1(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000342593397 151864760 /nfs/dbraw/zinc/86/47/60/151864760.db2.gz QPXJLUIANPTFKM-UHFFFAOYSA-N 1 0 295.364 1.685 20 5 CDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000343082023 152025154 /nfs/dbraw/zinc/02/51/54/152025154.db2.gz WBZLLASSTRUARF-GHMZBOCLSA-N 1 0 294.355 1.773 20 5 CDBDRO CCc1nn(C)c(N[C@H]2CCC[N@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000343604885 152241133 /nfs/dbraw/zinc/24/11/33/152241133.db2.gz NYINBAOQLJUXJO-KOLCDFICSA-N 1 0 281.360 1.785 20 5 CDBDRO Cc1c(NC(=O)CCOC2C[NH2+]C2)cccc1[N+](=O)[O-] ZINC000349029355 154033899 /nfs/dbraw/zinc/03/38/99/154033899.db2.gz QOLWJELGBBMABP-UHFFFAOYSA-N 1 0 279.296 1.220 20 5 CDBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000349243390 154073153 /nfs/dbraw/zinc/07/31/53/154073153.db2.gz BWETXKMRWGIZLX-ZJUUUORDSA-N 1 0 295.339 1.908 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2cnccn2)c(F)c1 ZINC000350244907 154353967 /nfs/dbraw/zinc/35/39/67/154353967.db2.gz HDUOCVKTYVMUMC-UHFFFAOYSA-N 1 0 276.271 1.856 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000353422695 155842614 /nfs/dbraw/zinc/84/26/14/155842614.db2.gz OZAPJHGSGONJJU-LLVKDONJSA-N 1 0 292.339 1.385 20 5 CDBDRO COC1(C[NH2+]CCn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000359671902 158330909 /nfs/dbraw/zinc/33/09/09/158330909.db2.gz AWIQXCXHSWEPHJ-UHFFFAOYSA-N 1 0 282.344 1.730 20 5 CDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@]1(CO)CCOC1 ZINC000359809531 158385252 /nfs/dbraw/zinc/38/52/52/158385252.db2.gz OJKXYOLOGFPVFW-CQSZACIVSA-N 1 0 296.323 1.057 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(C(F)F)CC2)c1 ZINC000361693180 158963443 /nfs/dbraw/zinc/96/34/43/158963443.db2.gz QSVXQDZDUZGZDO-UHFFFAOYSA-N 1 0 274.271 1.768 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](CO)C(C)C ZINC000362183570 159093013 /nfs/dbraw/zinc/09/30/13/159093013.db2.gz SKYBCJQPSMFEIC-LLVKDONJSA-N 1 0 295.339 1.448 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000363618958 159334177 /nfs/dbraw/zinc/33/41/77/159334177.db2.gz GBIKYIODKKXGMD-STQMWFEESA-N 1 0 289.335 1.951 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[NH2+]CC1 ZINC000368720699 159702154 /nfs/dbraw/zinc/70/21/54/159702154.db2.gz AHHGDMUZQVXTPH-CYBMUJFWSA-N 1 0 291.351 1.786 20 5 CDBDRO CC(C)C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000020125425 171008265 /nfs/dbraw/zinc/00/82/65/171008265.db2.gz UXOZBSUEGMMZPF-UHFFFAOYSA-N 1 0 265.313 1.457 20 5 CDBDRO CCOc1cc(C[N@H+](C)[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000284941485 196160439 /nfs/dbraw/zinc/16/04/39/196160439.db2.gz WQFIJQGDHXWKGA-SNVBAGLBSA-N 1 0 268.313 1.806 20 5 CDBDRO CN1CCO[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000285016085 196178164 /nfs/dbraw/zinc/17/81/64/196178164.db2.gz ZKOWXRBNKOVXMW-GJZGRUSLSA-N 1 0 291.351 1.500 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000038049810 174060925 /nfs/dbraw/zinc/06/09/25/174060925.db2.gz OKUYQADCHJHHHI-VXGBXAGGSA-N 1 0 278.312 1.986 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2COCCO2)cc1 ZINC000038061621 174073225 /nfs/dbraw/zinc/07/32/25/174073225.db2.gz BYXQAQOEYDSANG-ZDUSSCGKSA-N 1 0 266.297 1.142 20 5 CDBDRO C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000038083127 174092714 /nfs/dbraw/zinc/09/27/14/174092714.db2.gz CADCGNUADFRKET-QWRGUYRKSA-N 1 0 298.364 1.680 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000040595034 174348439 /nfs/dbraw/zinc/34/84/39/174348439.db2.gz XCFYBUYIENATLG-SECBINFHSA-N 1 0 283.353 1.728 20 5 CDBDRO O=[N+]([O-])c1cccc(-c2noc(C[C@H]3CCC[NH2+]3)n2)c1 ZINC000042164133 174647096 /nfs/dbraw/zinc/64/70/96/174647096.db2.gz IXGSJKIRXGBLDB-SNVBAGLBSA-N 1 0 274.280 1.939 20 5 CDBDRO O=C(NCC1CC[NH2+]CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000044503653 175186701 /nfs/dbraw/zinc/18/67/01/175186701.db2.gz QLJFVMOPVJSZRX-UHFFFAOYSA-N 1 0 281.287 1.463 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH2+]CC1 ZINC000044503667 175186770 /nfs/dbraw/zinc/18/67/70/175186770.db2.gz GWQGTYUBGLLNEI-UHFFFAOYSA-N 1 0 277.324 1.633 20 5 CDBDRO [NH3+]C[C@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000044528466 175193124 /nfs/dbraw/zinc/19/31/24/175193124.db2.gz HNOHCBHYYBACSX-LLVKDONJSA-N 1 0 277.324 1.335 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000044530339 175194762 /nfs/dbraw/zinc/19/47/62/175194762.db2.gz AJWNJAUZBJKIKX-JTQLQIEISA-N 1 0 267.304 1.905 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000044541852 175201732 /nfs/dbraw/zinc/20/17/32/175201732.db2.gz RZBOLIJYXMRRLC-MRZGDXHCSA-N 1 0 289.335 1.948 20 5 CDBDRO CC[NH+](CC)C[C@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000044572500 175209939 /nfs/dbraw/zinc/20/99/39/175209939.db2.gz OGEDXCWGUHZPFK-JTQLQIEISA-N 1 0 294.355 1.836 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(O)CC2)c1 ZINC000046056626 175391321 /nfs/dbraw/zinc/39/13/21/175391321.db2.gz KBWBWLWBYVGIAL-UHFFFAOYSA-N 1 0 266.297 1.430 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C)C1 ZINC000071147803 176044150 /nfs/dbraw/zinc/04/41/50/176044150.db2.gz KUIUDAJNMBBGBG-JTQLQIEISA-N 1 0 250.302 1.344 20 5 CDBDRO CCCN(c1ccc([N+](=O)[O-])cn1)[C@H]1CC[NH2+]C1 ZINC000071332354 176125562 /nfs/dbraw/zinc/12/55/62/176125562.db2.gz QNPIFSCFELWQCW-JTQLQIEISA-N 1 0 250.302 1.568 20 5 CDBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000078542603 177352017 /nfs/dbraw/zinc/35/20/17/177352017.db2.gz VRMNWWWQXXRLOC-LLVKDONJSA-N 1 0 250.302 1.742 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000070079124 260151464 /nfs/dbraw/zinc/15/14/64/260151464.db2.gz WKAIVEBDCJGETJ-VIFPVBQESA-N 1 0 297.742 1.930 20 5 CDBDRO CCOc1ccc(C(=O)N[C@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000516928195 260292509 /nfs/dbraw/zinc/29/25/09/260292509.db2.gz KUNROIFVBWHXFS-VHSXEESVSA-N 1 0 295.339 1.849 20 5 CDBDRO Cc1cnc(N2CC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000127340266 264249534 /nfs/dbraw/zinc/24/95/34/264249534.db2.gz WFEUESCFOZIRKI-NXEZZACHSA-N 1 0 250.302 1.472 20 5 CDBDRO CC(C)(CCC[NH3+])NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000293780672 424591630 /nfs/dbraw/zinc/59/16/30/424591630.db2.gz ZITWNMSFMQNFMN-UHFFFAOYSA-N 1 0 279.340 1.771 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(c2ncc([N+](=O)[O-])c(C)n2)C[C@H]1C ZINC000514580992 266004126 /nfs/dbraw/zinc/00/41/26/266004126.db2.gz GUNCDEFJLKWOJY-NXEZZACHSA-N 1 0 279.344 1.612 20 5 CDBDRO Cc1cccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000037894997 270224682 /nfs/dbraw/zinc/22/46/82/270224682.db2.gz DALROYPTCFZWJD-CQSZACIVSA-N 1 0 290.323 1.250 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000397190991 270346875 /nfs/dbraw/zinc/34/68/75/270346875.db2.gz OPAHLHNKOMUXAQ-UHFFFAOYSA-N 1 0 265.313 1.381 20 5 CDBDRO CNc1ccc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000516925438 270498360 /nfs/dbraw/zinc/49/83/60/270498360.db2.gz QAWMBZKCOFTSOP-MWLCHTKSSA-N 1 0 292.339 1.507 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000521101449 270546289 /nfs/dbraw/zinc/54/62/89/270546289.db2.gz LFTIQGQJENERDJ-RYUDHWBXSA-N 1 0 293.371 1.650 20 5 CDBDRO CC[C@@H](O)C[NH+]1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000268042670 273724338 /nfs/dbraw/zinc/72/43/38/273724338.db2.gz OXUNYEZFIGVYRR-CYBMUJFWSA-N 1 0 293.367 1.796 20 5 CDBDRO COC[C@@H](CCO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447541588 274042696 /nfs/dbraw/zinc/04/26/96/274042696.db2.gz MZXFBXVYMXGTCF-DOMZBBRYSA-N 1 0 294.351 1.959 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000186753164 274306468 /nfs/dbraw/zinc/30/64/68/274306468.db2.gz OGMDNQZIFHIEHI-PELKAZGASA-N 1 0 297.742 1.976 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1COCCO1)CCC2 ZINC000447533420 275038316 /nfs/dbraw/zinc/03/83/16/275038316.db2.gz RJNILEZTGARVJH-UKRRQHHQSA-N 1 0 292.335 1.977 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c(Cl)c1 ZINC000261656293 275041305 /nfs/dbraw/zinc/04/13/05/275041305.db2.gz YTQYOFJJIRTNFR-KWQFWETISA-N 1 0 282.731 1.831 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3ccc(F)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000278758464 277199075 /nfs/dbraw/zinc/19/90/75/277199075.db2.gz NIPLOCDMAYYMJX-AOOOYVTPSA-N 1 0 265.288 1.732 20 5 CDBDRO C[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc([N+](=O)[O-])cc1 ZINC000453418673 278262746 /nfs/dbraw/zinc/26/27/46/278262746.db2.gz YQIRXOGIQVWHKN-IINYFYTJSA-N 1 0 277.324 1.914 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000127337457 278314459 /nfs/dbraw/zinc/31/44/59/278314459.db2.gz BDDIMYMYDNKCGT-HTQZYQBOSA-N 1 0 281.341 1.478 20 5 CDBDRO Cc1cnc(N2CCC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000090692652 279015052 /nfs/dbraw/zinc/01/50/52/279015052.db2.gz SLAZWPNJQOVSPT-GHMZBOCLSA-N 1 0 264.329 1.862 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000297290194 279113805 /nfs/dbraw/zinc/11/38/05/279113805.db2.gz CZONRAAEVUXVCT-BXKDBHETSA-N 1 0 263.297 1.547 20 5 CDBDRO C[C@@](CO)([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000177026695 279148968 /nfs/dbraw/zinc/14/89/68/279148968.db2.gz KUBUSOMWFPHBNU-AWEZNQCLSA-N 1 0 296.371 1.712 20 5 CDBDRO O=C(COc1ccccc1[N+](=O)[O-])NCC[NH+]1CCCC1 ZINC000052851462 279182410 /nfs/dbraw/zinc/18/24/10/279182410.db2.gz KFTRAYTXCBUHCH-UHFFFAOYSA-N 1 0 293.323 1.186 20 5 CDBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000129630610 279610269 /nfs/dbraw/zinc/61/02/69/279610269.db2.gz VZHAZAIIMJFTCP-STQMWFEESA-N 1 0 280.324 1.723 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H]1C ZINC000262849323 280050195 /nfs/dbraw/zinc/05/01/95/280050195.db2.gz ZECQFTMSRZWJDW-RKDXNWHRSA-N 1 0 281.287 1.556 20 5 CDBDRO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000226775133 280102112 /nfs/dbraw/zinc/10/21/12/280102112.db2.gz QGPLRCWKRCOMGW-SFYZADRCSA-N 1 0 256.331 1.946 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000237327105 280171512 /nfs/dbraw/zinc/17/15/12/280171512.db2.gz YLIJGUACUZIRII-SECBINFHSA-N 1 0 297.380 1.902 20 5 CDBDRO C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000420402890 288208382 /nfs/dbraw/zinc/20/83/82/288208382.db2.gz QXRLHPLIHORFTO-NXEZZACHSA-N 1 0 267.304 1.916 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000422720034 280397894 /nfs/dbraw/zinc/39/78/94/280397894.db2.gz ZKNORCIGKKXTOR-LLVKDONJSA-N 1 0 277.324 1.693 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000518241453 281016894 /nfs/dbraw/zinc/01/68/94/281016894.db2.gz VUBVCBIGJBKMNI-VXGBXAGGSA-N 1 0 292.339 1.290 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000053253766 281257622 /nfs/dbraw/zinc/25/76/22/281257622.db2.gz RAINRFAWZWIMQR-SNVBAGLBSA-N 1 0 263.297 1.385 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000261607326 289040759 /nfs/dbraw/zinc/04/07/59/289040759.db2.gz RSQPALOXYINIKB-GMSGAONNSA-N 1 0 267.260 1.296 20 5 CDBDRO [NH3+][C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000261963301 289394897 /nfs/dbraw/zinc/39/48/97/289394897.db2.gz SGEMGZFNXQWMQG-CYBMUJFWSA-N 1 0 277.324 1.381 20 5 CDBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000551981887 290036337 /nfs/dbraw/zinc/03/63/37/290036337.db2.gz RGODCTFQNPZOMF-UHFFFAOYSA-N 1 0 295.343 1.264 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000567248150 293746077 /nfs/dbraw/zinc/74/60/77/293746077.db2.gz IEZSRLORGKKWJH-SNVBAGLBSA-N 1 0 292.339 1.400 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@]1(C)CO ZINC000571210948 294389959 /nfs/dbraw/zinc/38/99/59/294389959.db2.gz RNCPMIZXRCMTMN-CQSZACIVSA-N 1 0 280.324 1.950 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000574990335 295085246 /nfs/dbraw/zinc/08/52/46/295085246.db2.gz UGLNCYJOPRUGKW-MGCOHNPYSA-N 1 0 280.328 1.418 20 5 CDBDRO Cc1ccnc(N2CCC3(CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000576213136 317096841 /nfs/dbraw/zinc/09/68/41/317096841.db2.gz BKCWUUBOXQOGRV-UHFFFAOYSA-N 1 0 276.340 1.878 20 5 CDBDRO Cc1c(CC(=O)N[C@H](C)C[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000576228826 317100729 /nfs/dbraw/zinc/10/07/29/317100729.db2.gz DQWBYGMJEGNDDW-NXEZZACHSA-N 1 0 279.340 1.688 20 5 CDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCC2CC[NH2+]CC2)cc1 ZINC000380317012 323612966 /nfs/dbraw/zinc/61/29/66/323612966.db2.gz YAZWFQPSGNCMDC-UHFFFAOYSA-N 1 0 298.364 1.758 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000382531832 323644876 /nfs/dbraw/zinc/64/48/76/323644876.db2.gz WGSNXWBJMSUNTL-ONGXEEELSA-N 1 0 263.297 1.452 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000578750737 324013137 /nfs/dbraw/zinc/01/31/37/324013137.db2.gz ZDEMNMIIXCBQEK-UWVGGRQHSA-N 1 0 275.308 1.482 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000578980756 324071016 /nfs/dbraw/zinc/07/10/16/324071016.db2.gz PNUQFVSCKARUCK-ZJUUUORDSA-N 1 0 292.339 1.398 20 5 CDBDRO COc1cc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc([N+](=O)[O-])c1C ZINC000579356783 324166574 /nfs/dbraw/zinc/16/65/74/324166574.db2.gz OKCWNMCWLBLGPW-RKDXNWHRSA-N 1 0 295.339 1.767 20 5 CDBDRO CNc1ccc(C(=O)NC2(C[NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000579593812 324229230 /nfs/dbraw/zinc/22/92/30/324229230.db2.gz AUCJBCDWWFQJNS-UHFFFAOYSA-N 1 0 292.339 1.638 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000580631808 324516331 /nfs/dbraw/zinc/51/63/31/324516331.db2.gz MAXXSVXECGFMBW-ZYHUDNBSSA-N 1 0 292.339 1.535 20 5 CDBDRO CC[C@@H]1C[C@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000583747877 325232779 /nfs/dbraw/zinc/23/27/79/325232779.db2.gz IJKKDPXFIVTBGR-DYEKYZERSA-N 1 0 294.351 1.970 20 5 CDBDRO Cc1c(CNC(=O)N[C@H](C)CCC[NH3+])cccc1[N+](=O)[O-] ZINC000418079530 533860657 /nfs/dbraw/zinc/86/06/57/533860657.db2.gz KXUTYERPYJKICA-SNVBAGLBSA-N 1 0 294.355 1.830 20 5 CDBDRO CC1(C)CN(c2c(Cl)cncc2[N+](=O)[O-])CC[NH2+]1 ZINC000310693532 1186672706 /nfs/dbraw/zinc/67/27/06/1186672706.db2.gz SKKJQAKTMJLMEM-UHFFFAOYSA-N 1 0 270.720 1.831 20 5 CDBDRO CC(C)(C)[NH2+]CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000156916316 518757129 /nfs/dbraw/zinc/75/71/29/518757129.db2.gz ZIFVUBXUYDIJNK-UHFFFAOYSA-N 1 0 295.339 1.478 20 5 CDBDRO CC(C)C[C@H]([NH3+])c1noc(Cn2cc([N+](=O)[O-])cn2)n1 ZINC000339386886 519378379 /nfs/dbraw/zinc/37/83/79/519378379.db2.gz DGYMDFAAKAUAHE-VIFPVBQESA-N 1 0 280.288 1.269 20 5 CDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](C)CC1 ZINC000153030348 521793666 /nfs/dbraw/zinc/79/36/66/521793666.db2.gz QJDJKWMKTSOSDJ-UHFFFAOYSA-N 1 0 292.339 1.461 20 5 CDBDRO Cc1ccc(C[NH2+]CCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000034994580 524574859 /nfs/dbraw/zinc/57/48/59/524574859.db2.gz QYEWCYJHIWPVAQ-UHFFFAOYSA-N 1 0 293.367 1.715 20 5 CDBDRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037782719 524600408 /nfs/dbraw/zinc/60/04/08/524600408.db2.gz FSCQNNSUJXEDKB-VIFPVBQESA-N 1 0 283.353 1.757 20 5 CDBDRO C[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000068803092 525506530 /nfs/dbraw/zinc/50/65/30/525506530.db2.gz DMCHJNBQTLJVMV-DOMZBBRYSA-N 1 0 292.383 1.491 20 5 CDBDRO COc1cc(C(=O)N[C@@H](C)CC[NH3+])cc([N+](=O)[O-])c1C ZINC000423534684 536497022 /nfs/dbraw/zinc/49/70/22/536497022.db2.gz WNZCSINLVNXEHP-QMMMGPOBSA-N 1 0 281.312 1.379 20 5 CDBDRO [NH3+]C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)C1CCCC1 ZINC000236267021 527227606 /nfs/dbraw/zinc/22/76/06/527227606.db2.gz ANLRLMPGBLWNTR-VIFPVBQESA-N 1 0 283.353 1.904 20 5 CDBDRO [NH3+]C[C@H](Nc1ncc([N+](=O)[O-])s1)C1CCCC1 ZINC000236239859 527228654 /nfs/dbraw/zinc/22/86/54/527228654.db2.gz SWEKSKBIKORZKO-QMMMGPOBSA-N 1 0 256.331 1.981 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000423984676 535427597 /nfs/dbraw/zinc/42/75/97/535427597.db2.gz UQICAFPQAUWRRN-SKDRFNHKSA-N 1 0 293.323 1.413 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC1(C)CC[NH2+]CC1 ZINC000261703318 535970279 /nfs/dbraw/zinc/97/02/79/535970279.db2.gz IQVGNVCXAWNCAG-UHFFFAOYSA-N 1 0 281.360 1.921 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000422763984 536357083 /nfs/dbraw/zinc/35/70/83/536357083.db2.gz JMLHXJPCIRXJPZ-CYBMUJFWSA-N 1 0 291.351 1.656 20 5 CDBDRO CNc1nc(-c2nc(C[C@H](C)[NH2+]C)no2)ccc1[N+](=O)[O-] ZINC000414638441 536422607 /nfs/dbraw/zinc/42/26/07/536422607.db2.gz DASODRDCLMPNST-ZETCQYMHSA-N 1 0 292.299 1.232 20 5 CDBDRO COc1cc(C(=O)N[C@H](C)CCC[NH3+])cc([N+](=O)[O-])c1C ZINC000423697384 536513411 /nfs/dbraw/zinc/51/34/11/536513411.db2.gz ZPGZXNHYYVEPRG-SECBINFHSA-N 1 0 295.339 1.769 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000195114388 536950688 /nfs/dbraw/zinc/95/06/88/536950688.db2.gz QSCLTBFRZLFKSR-VIFPVBQESA-N 1 0 279.296 1.167 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](CCO)C1CC1 ZINC000741258539 575000298 /nfs/dbraw/zinc/00/02/98/575000298.db2.gz NTFOLRHEMDBQAO-LBPRGKRZSA-N 1 0 250.298 1.845 20 5 CDBDRO C[NH+](C)C[C@H](O)CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000732566128 575091403 /nfs/dbraw/zinc/09/14/03/575091403.db2.gz BMNJGBOVYCODPF-SNVBAGLBSA-N 1 0 290.323 1.477 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](C(F)(F)F)C2)n1 ZINC000761058867 576539106 /nfs/dbraw/zinc/53/91/06/576539106.db2.gz UKLPHXPLOMXQDN-MRVPVSSYSA-N 1 0 278.234 1.676 20 5 CDBDRO C[NH+](C)C1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000762980494 576698676 /nfs/dbraw/zinc/69/86/76/576698676.db2.gz YXBYOPXZYXAQMF-UHFFFAOYSA-N 1 0 277.324 1.695 20 5 CDBDRO C[NH+](C)CCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000773110301 575783655 /nfs/dbraw/zinc/78/36/55/575783655.db2.gz IPSWDGIGACTARM-UHFFFAOYSA-N 1 0 292.339 1.343 20 5 CDBDRO COC[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749650087 576956648 /nfs/dbraw/zinc/95/66/48/576956648.db2.gz ZHBBJUZVTHFMLS-CABZTGNLSA-N 1 0 254.286 1.253 20 5 CDBDRO COCCC[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749948212 576969525 /nfs/dbraw/zinc/96/95/25/576969525.db2.gz VUHHQONRPSALDK-UHFFFAOYSA-N 1 0 293.327 1.574 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](CCCCO)CC1 ZINC000750178785 576980537 /nfs/dbraw/zinc/98/05/37/576980537.db2.gz JUGOYHWEHKMKGG-UHFFFAOYSA-N 1 0 293.367 1.798 20 5 CDBDRO COc1cccc(N2CC[C@@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000135060567 617407132 /nfs/dbraw/zinc/40/71/32/617407132.db2.gz UYLQQQBVGNDUMS-VHSXEESVSA-N 1 0 265.313 1.777 20 5 CDBDRO C[NH+](C)CC1(c2nc(-c3ccc([N+](=O)[O-])o3)no2)CC1 ZINC000924093797 617415888 /nfs/dbraw/zinc/41/58/88/617415888.db2.gz WMJJMDMJHVFIHI-UHFFFAOYSA-N 1 0 278.268 1.831 20 5 CDBDRO CCC(CC)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000950056139 614553485 /nfs/dbraw/zinc/55/34/85/614553485.db2.gz UNJCCIOMASXKJA-ZIAGYGMSSA-N 1 0 297.399 1.621 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@H](CNc2c([N+](=O)[O-])cnn2C)C1 ZINC000892119905 617492061 /nfs/dbraw/zinc/49/20/61/617492061.db2.gz HVRDNCUZPWCNFX-LLVKDONJSA-N 1 0 281.360 1.861 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000892555158 617500715 /nfs/dbraw/zinc/50/07/15/617500715.db2.gz QVMJYPUQRBSYJN-LLVKDONJSA-N 1 0 294.355 1.776 20 5 CDBDRO CCOC[C@H](C)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893710196 617912742 /nfs/dbraw/zinc/91/27/42/617912742.db2.gz HCEWFSBRZQCXFO-VIFPVBQESA-N 1 0 284.312 1.824 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000893871298 618113370 /nfs/dbraw/zinc/11/33/70/618113370.db2.gz JENKVCTWVWDNLF-PODYEWJSSA-N 1 0 289.335 1.818 20 5 CDBDRO C[N@@H+]1C[C@H]2CCN(c3ncc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000893935603 618195536 /nfs/dbraw/zinc/19/55/36/618195536.db2.gz RDJJWBKWVWSIHN-LDYMZIIASA-N 1 0 266.276 1.269 20 5 CDBDRO Cc1cc(N2CC[C@H]3C[N@@H+](C)C[C@H]32)ncc1[N+](=O)[O-] ZINC000893940333 618203461 /nfs/dbraw/zinc/20/34/61/618203461.db2.gz MVXLZKUUIRJNAO-CMPLNLGQSA-N 1 0 262.313 1.439 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000818011252 618493492 /nfs/dbraw/zinc/49/34/92/618493492.db2.gz XBXKMPICQZRLJK-KOLCDFICSA-N 1 0 292.339 1.234 20 5 CDBDRO O=C1NCCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894867702 619110084 /nfs/dbraw/zinc/11/00/84/619110084.db2.gz WOVYZKAETRHJRZ-JTQLQIEISA-N 1 0 297.742 1.864 20 5 CDBDRO Cc1c(C[NH2+]C[C@H]2COCO2)cccc1[N+](=O)[O-] ZINC000894888988 619124336 /nfs/dbraw/zinc/12/43/36/619124336.db2.gz MSRYQATUECJGKA-NSHDSACASA-N 1 0 252.270 1.366 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@H]2COC[C@@H]2C)c1[N+](=O)[O-] ZINC000896733876 620216927 /nfs/dbraw/zinc/21/69/27/620216927.db2.gz SRPCRIYXCDTRSS-WPRPVWTQSA-N 1 0 282.296 1.434 20 5 CDBDRO CC[N@@H+]1CCN(c2cc(N)ccc2[N+](=O)[O-])C[C@H]1C ZINC000800861553 620889686 /nfs/dbraw/zinc/88/96/86/620889686.db2.gz SVPICLRSNHSJPT-SNVBAGLBSA-N 1 0 264.329 1.707 20 5 CDBDRO C[C@H](C[NH2+]CC[N+](=O)[O-])N1CCc2sccc2C1 ZINC000899869895 622496083 /nfs/dbraw/zinc/49/60/83/622496083.db2.gz JKOFMUSRJAJNAF-SNVBAGLBSA-N 1 0 269.370 1.361 20 5 CDBDRO COc1ccc(CN2CC[C@H]3CC[C@]32C[NH3+])cc1[N+](=O)[O-] ZINC000903858349 626119563 /nfs/dbraw/zinc/11/95/63/626119563.db2.gz XQFMEOBJKIMUGO-DOMZBBRYSA-N 1 0 291.351 1.917 20 5 CDBDRO CC[C@H](C[NH2+]CC[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000905271375 626727541 /nfs/dbraw/zinc/72/75/41/626727541.db2.gz CAJRLRLGLARQIQ-SECBINFHSA-N 1 0 261.322 1.156 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905381554 626777693 /nfs/dbraw/zinc/77/76/93/626777693.db2.gz NJJHYJTZGHCMOJ-SNVBAGLBSA-N 1 0 279.123 1.893 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000905366741 626785757 /nfs/dbraw/zinc/78/57/57/626785757.db2.gz HRIGZANCORMCJG-SECBINFHSA-N 1 0 292.257 1.121 20 5 CDBDRO COc1cc(CNC2CC([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000906510772 627298209 /nfs/dbraw/zinc/29/82/09/627298209.db2.gz WOQVIQABECAGFV-UHFFFAOYSA-N 1 0 281.312 1.191 20 5 CDBDRO O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCC[NH2+]CC1 ZINC000911656802 629402536 /nfs/dbraw/zinc/40/25/36/629402536.db2.gz UYFGRCRNJUTAQH-KGLIPLIRSA-N 1 0 289.335 1.520 20 5 CDBDRO CSCC[C@@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000912182854 629834406 /nfs/dbraw/zinc/83/44/06/629834406.db2.gz JMFQJDCMPKWHCZ-LLVKDONJSA-N 1 0 295.364 1.564 20 5 CDBDRO Cc1nn(CN2CCC[C@H]([NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000152331724 630994317 /nfs/dbraw/zinc/99/43/17/630994317.db2.gz IMQDGYMQGMWRNX-LBPRGKRZSA-N 1 0 281.360 1.392 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2(O)CCCCC2)cc1 ZINC000109121371 1158476860 /nfs/dbraw/zinc/47/68/60/1158476860.db2.gz CNQXHDAISTWLJD-CQSZACIVSA-N 1 0 294.351 1.913 20 5 CDBDRO CC[C@@H](O)C[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170297423 1162328068 /nfs/dbraw/zinc/32/80/68/1162328068.db2.gz NZLOYKDYPUYTBW-ZYHUDNBSSA-N 1 0 282.340 1.895 20 5 CDBDRO [NH3+]C[C@@]1(F)CCN(c2cc(Cl)cc([N+](=O)[O-])n2)C1 ZINC001157812739 1162444009 /nfs/dbraw/zinc/44/40/09/1162444009.db2.gz GZVFMWOXCXXUPG-JTQLQIEISA-N 1 0 274.683 1.520 20 5 CDBDRO CN(CC[NH3+])CCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC001170505191 1162669436 /nfs/dbraw/zinc/66/94/36/1162669436.db2.gz QFJWKYNDJTWQCR-UHFFFAOYSA-N 1 0 289.339 1.445 20 5 CDBDRO COC(=O)c1ccc(C[NH3+])n1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168999013 1161996896 /nfs/dbraw/zinc/99/68/96/1161996896.db2.gz QZSAAIFBALEWQR-NXEZZACHSA-N 1 0 281.312 1.351 20 5 CDBDRO CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168998573 1161997206 /nfs/dbraw/zinc/99/72/06/1161997206.db2.gz OSMZYOSZJXFKJI-XDQVBPFNSA-N 1 0 283.372 1.469 20 5 CDBDRO CCC1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001169000835 1161997414 /nfs/dbraw/zinc/99/74/14/1161997414.db2.gz YUJIARCETYFTAJ-RYUDHWBXSA-N 1 0 256.346 1.981 20 5 CDBDRO O=[N+]([O-])c1c(N[C@@H]2C[NH+]3CCC2CC3)nc2sccn21 ZINC000035099614 1165639279 /nfs/dbraw/zinc/63/92/79/1165639279.db2.gz DLMAXTOWEGHLGP-SECBINFHSA-N 1 0 293.352 1.810 20 5 CDBDRO Cc1c(C)c(N[C@@H]2COCCC23C[NH2+]C3)ncc1[N+](=O)[O-] ZINC001155469320 1167183921 /nfs/dbraw/zinc/18/39/21/1167183921.db2.gz NTLUZOXURZDRAD-GFCCVEGCSA-N 1 0 292.339 1.397 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001155514947 1167205432 /nfs/dbraw/zinc/20/54/32/1167205432.db2.gz NLKJQAGRNZJJIE-RTXFEEFZSA-N 1 0 292.339 1.335 20 5 CDBDRO CC(=O)c1ccc(NCCOCCC[NH3+])c([N+](=O)[O-])c1 ZINC001575040863 1171094095 /nfs/dbraw/zinc/09/40/95/1171094095.db2.gz ZXXKUENKRTWFJD-UHFFFAOYSA-N 1 0 281.312 1.575 20 5 CDBDRO CCOc1cc(CN2CC[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC001578166405 1171825407 /nfs/dbraw/zinc/82/54/07/1171825407.db2.gz YCJDHASGGCFTBA-LLVKDONJSA-N 1 0 279.340 1.787 20 5 CDBDRO CCc1n[nH]c(C(=O)N(C)CCCCCC[NH3+])c1[N+](=O)[O-] ZINC001578243638 1171849193 /nfs/dbraw/zinc/84/91/93/1171849193.db2.gz UISVBUFKFYGUET-UHFFFAOYSA-N 1 0 297.359 1.471 20 5 CDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001578478722 1171929569 /nfs/dbraw/zinc/92/95/69/1171929569.db2.gz POQQOFUXBVQKBQ-FPMFFAJLSA-N 1 0 289.335 1.204 20 5 CDBDRO [NH3+]C[C@@]12CN(c3ncc([N+](=O)[O-])cn3)C[C@H]1CCCC2 ZINC001580256477 1172388072 /nfs/dbraw/zinc/38/80/72/1172388072.db2.gz VGSQEPTYKXKJTB-MFKMUULPSA-N 1 0 277.328 1.340 20 5 CDBDRO [NH3+][C@@H]1CC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC001580387010 1172420560 /nfs/dbraw/zinc/42/05/60/1172420560.db2.gz DLRREJQIZMKUMH-WDEREUQCSA-N 1 0 293.323 1.217 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCOC12CC[NH2+]CC2 ZINC001580822433 1172550028 /nfs/dbraw/zinc/55/00/28/1172550028.db2.gz UKBHVNLQBRNVCF-UHFFFAOYSA-N 1 0 291.307 1.147 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000154628219 1178147011 /nfs/dbraw/zinc/14/70/11/1178147011.db2.gz XAGAAXQFHYTWGY-QMMMGPOBSA-N 1 0 296.283 1.088 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CCN(C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178657905 1182170086 /nfs/dbraw/zinc/17/00/86/1182170086.db2.gz AHAUNYWSHLGNCH-BXKDBHETSA-N 1 0 263.297 1.476 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000313029789 705307947 /nfs/dbraw/zinc/30/79/47/705307947.db2.gz DSWHEDIEZYZBEZ-NSHDSACASA-N 1 0 286.303 1.814 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CCC(CO)CC1 ZINC000885953934 705440644 /nfs/dbraw/zinc/44/06/44/705440644.db2.gz JTSRVSNMHBEAJU-UHFFFAOYSA-N 1 0 251.286 1.194 20 5 CDBDRO C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000094340663 705467291 /nfs/dbraw/zinc/46/72/91/705467291.db2.gz HTXRVURZGYIMJB-CABZTGNLSA-N 1 0 278.312 1.796 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H]2CCCC[NH2+]2)c(N)c([N+](=O)[O-])c1 ZINC000130610789 705676936 /nfs/dbraw/zinc/67/69/36/705676936.db2.gz CQYFBRUOIPDCJM-JTQLQIEISA-N 1 0 292.339 1.357 20 5 CDBDRO C[NH+](C)C1(CNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000841454884 705688229 /nfs/dbraw/zinc/68/82/29/705688229.db2.gz MQDSQGJPJOVINR-UHFFFAOYSA-N 1 0 257.334 1.032 20 5 CDBDRO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000930066324 705700858 /nfs/dbraw/zinc/70/08/58/705700858.db2.gz DSGIFSRXHDTYCP-KGLIPLIRSA-N 1 0 282.315 1.990 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc(CC[NH2+]C3CC3)n2)o1 ZINC000848630512 705721805 /nfs/dbraw/zinc/72/18/05/705721805.db2.gz NGMPVWVVQMPYBQ-UHFFFAOYSA-N 1 0 264.241 1.532 20 5 CDBDRO CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001000149518 705747899 /nfs/dbraw/zinc/74/78/99/705747899.db2.gz MMRFUVREHXVNNT-VXGBXAGGSA-N 1 0 281.356 1.032 20 5 CDBDRO [NH3+]C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000702065441 705761366 /nfs/dbraw/zinc/76/13/66/705761366.db2.gz JHGWYRCCSXEPEH-JTQLQIEISA-N 1 0 283.715 1.715 20 5 CDBDRO CC(=O)c1c(N(C)CC2CN(C)C2)cccc1[N+](=O)[O-] ZINC000882616330 705779222 /nfs/dbraw/zinc/77/92/22/705779222.db2.gz KAJPQDOLEMYCDO-UHFFFAOYSA-N 1 0 277.324 1.795 20 5 CDBDRO Cn1c(C(=O)N2CCCC[C@@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000604467879 705846445 /nfs/dbraw/zinc/84/64/45/705846445.db2.gz KSKAMQUXMUAQNS-LLVKDONJSA-N 1 0 294.355 1.490 20 5 CDBDRO CC(C)(O)[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591496 705866266 /nfs/dbraw/zinc/86/62/66/705866266.db2.gz QYHWMUIILAFTMU-UONOGXRCSA-N 1 0 294.351 1.864 20 5 CDBDRO CON1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819373862 706061821 /nfs/dbraw/zinc/06/18/21/706061821.db2.gz LIFGZDHGAXFIPX-CQSZACIVSA-N 1 0 295.339 1.244 20 5 CDBDRO [NH3+][C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000261945411 706069536 /nfs/dbraw/zinc/06/95/36/706069536.db2.gz OGPDTMBPVLWWLG-JTQLQIEISA-N 1 0 283.715 1.715 20 5 CDBDRO [NH3+][C@@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000700608941 706159752 /nfs/dbraw/zinc/15/97/52/706159752.db2.gz PWYSNWOOPKBOFB-JTQLQIEISA-N 1 0 283.715 1.715 20 5 CDBDRO C[NH+](C)CC1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000823302459 706160646 /nfs/dbraw/zinc/16/06/46/706160646.db2.gz YZZXMDFAZMOLFO-UHFFFAOYSA-N 1 0 285.388 1.622 20 5 CDBDRO COCC[C@H](C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819367621 706162074 /nfs/dbraw/zinc/16/20/74/706162074.db2.gz ARVMJHFSVGMSEI-FZMZJTMJSA-N 1 0 282.340 1.890 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[NH+]1CCCC1 ZINC000874110803 706198316 /nfs/dbraw/zinc/19/83/16/706198316.db2.gz OJSDGTXLIFLZKB-UHFFFAOYSA-N 1 0 293.323 1.315 20 5 CDBDRO C[C@H](NC[C@H]1CCCC[NH2+]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817949873 706220499 /nfs/dbraw/zinc/22/04/99/706220499.db2.gz OOSKNVDVRXPIBB-CMPLNLGQSA-N 1 0 278.356 1.970 20 5 CDBDRO Cc1nn(CN2CCOC[C@@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000793740460 706228290 /nfs/dbraw/zinc/22/82/90/706228290.db2.gz DCGJAVHAQKGFLT-ZDUSSCGKSA-N 1 0 294.355 1.806 20 5 CDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000930577344 706245401 /nfs/dbraw/zinc/24/54/01/706245401.db2.gz SLFRIJHIAOMVSC-SNVBAGLBSA-N 1 0 278.287 1.939 20 5 CDBDRO [NH3+]CCCCCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015913 706253209 /nfs/dbraw/zinc/25/32/09/706253209.db2.gz VAZHKFFEXDGNTB-UHFFFAOYSA-N 1 0 265.313 1.730 20 5 CDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826063311 709689313 /nfs/dbraw/zinc/68/93/13/709689313.db2.gz JYGRLSPCUOYJDX-NWDGAFQWSA-N 1 0 285.388 1.621 20 5 CDBDRO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839687124 709716644 /nfs/dbraw/zinc/71/66/44/709716644.db2.gz WCDPRHBSRWKXOE-ZIAGYGMSSA-N 1 0 297.399 1.622 20 5 CDBDRO Cc1cc(Cc2noc(COCC[NH3+])n2)ccc1[N+](=O)[O-] ZINC000843192099 709777528 /nfs/dbraw/zinc/77/75/28/709777528.db2.gz QHNVZKFBBNPDSP-UHFFFAOYSA-N 1 0 292.295 1.352 20 5 CDBDRO [NH3+]CCCN(CCn1ccc([N+](=O)[O-])n1)CC(F)(F)F ZINC000883443834 709790723 /nfs/dbraw/zinc/79/07/23/709790723.db2.gz JKMPHWWJZRNACY-UHFFFAOYSA-N 1 0 295.265 1.004 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815576563 709830765 /nfs/dbraw/zinc/83/07/65/709830765.db2.gz SUOJCBMBYIRXGR-GXSJLCMTSA-N 1 0 264.329 1.532 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCO[C@H]2CCOC2)c1 ZINC000724999934 709832021 /nfs/dbraw/zinc/83/20/21/709832021.db2.gz UZYNMDJTQKXMPO-ZDUSSCGKSA-N 1 0 266.297 1.490 20 5 CDBDRO C[C@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])[NH+](C)C ZINC000864828207 709879410 /nfs/dbraw/zinc/87/94/10/709879410.db2.gz OSYZPJZTIAIRHO-SECBINFHSA-N 1 0 283.303 1.343 20 5 CDBDRO CC[C@H](CCO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843079631 709898937 /nfs/dbraw/zinc/89/89/37/709898937.db2.gz ZYUWXCGICIPUHS-YPMHNXCESA-N 1 0 268.313 1.379 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000882959733 709899664 /nfs/dbraw/zinc/89/96/64/709899664.db2.gz OLMRTWTUPHPXMA-SECBINFHSA-N 1 0 294.311 1.283 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1COCO1 ZINC000894874065 709904768 /nfs/dbraw/zinc/90/47/68/709904768.db2.gz VPXFHEFVBLGRNJ-JTQLQIEISA-N 1 0 272.688 1.711 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424021607 710067944 /nfs/dbraw/zinc/06/79/44/710067944.db2.gz BRJMZGOABAQBLS-HNNXBMFYSA-N 1 0 289.335 1.492 20 5 CDBDRO [NH3+]CC[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886838138 710235733 /nfs/dbraw/zinc/23/57/33/710235733.db2.gz RPRMMNALGSOKIW-NSHDSACASA-N 1 0 264.329 1.551 20 5 CDBDRO O=C(NCC1C[NH2+]C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000261883748 710266169 /nfs/dbraw/zinc/26/61/69/710266169.db2.gz AUUJCWBAEODFEA-UHFFFAOYSA-N 1 0 291.332 1.759 20 5 CDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[NH+](C)C ZINC000843766043 710347395 /nfs/dbraw/zinc/34/73/95/710347395.db2.gz WIHCGIXMTNLGRM-MRVPVSSYSA-N 1 0 283.303 1.722 20 5 CDBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000864359658 710395393 /nfs/dbraw/zinc/39/53/93/710395393.db2.gz XHMYIPJJUKMAIN-BQBZGAKWSA-N 1 0 271.679 1.938 20 5 CDBDRO CC[NH+](CC)CCCOC(=O)c1ccc([N+](=O)[O-])n1C ZINC000800123135 710401171 /nfs/dbraw/zinc/40/11/71/710401171.db2.gz HNBJONMABVNNJV-UHFFFAOYSA-N 1 0 283.328 1.822 20 5 CDBDRO CC[NH2+][C@H](C)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817971113 710446788 /nfs/dbraw/zinc/44/67/88/710446788.db2.gz APQHSBHCVDSMBU-NXEZZACHSA-N 1 0 266.345 1.826 20 5 CDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 ZINC000930205606 710464430 /nfs/dbraw/zinc/46/44/30/710464430.db2.gz CQKZRMXWNIEZGR-JTQLQIEISA-N 1 0 292.339 1.898 20 5 CDBDRO COC[C@@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788822025 710470929 /nfs/dbraw/zinc/47/09/29/710470929.db2.gz HXJHEMWVSVMUKX-RKDXNWHRSA-N 1 0 253.302 1.863 20 5 CDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923301493 710519290 /nfs/dbraw/zinc/51/92/90/710519290.db2.gz JUSFFGMRDCBOMK-XDTLVQLUSA-N 1 0 299.758 1.531 20 5 CDBDRO CC(C)(CCC(=O)NCC1CC[NH+](C2CC2)CC1)[N+](=O)[O-] ZINC000830609742 710532644 /nfs/dbraw/zinc/53/26/44/710532644.db2.gz NIQAIYBOFYZMAC-UHFFFAOYSA-N 1 0 297.399 1.813 20 5 CDBDRO CCN1CC[C@H]1CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000882489130 710534465 /nfs/dbraw/zinc/53/44/65/710534465.db2.gz MIELDGQRDOKZPF-QMMMGPOBSA-N 1 0 299.277 1.697 20 5 CDBDRO COCC[NH2+]CCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841047644 710545735 /nfs/dbraw/zinc/54/57/35/710545735.db2.gz GJKCEYUSGNMPFP-UHFFFAOYSA-N 1 0 287.747 1.574 20 5 CDBDRO COC[C@](C)(O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815579839 710547200 /nfs/dbraw/zinc/54/72/00/710547200.db2.gz WLHJBWFVKJZAMG-NOZJJQNGSA-N 1 0 283.328 1.225 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(CCO)CC2)cc1 ZINC000776581956 710576988 /nfs/dbraw/zinc/57/69/88/710576988.db2.gz JUAKNWAPSXKWJZ-OAHLLOKOSA-N 1 0 294.351 1.723 20 5 CDBDRO CCc1nncn1CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873064752 710584588 /nfs/dbraw/zinc/58/45/88/710584588.db2.gz HMCTVGLZZZIGBH-UHFFFAOYSA-N 1 0 289.339 1.847 20 5 CDBDRO CC(C)(CCC(=O)N1CCC(C)([NH+]2CCC2)CC1)[N+](=O)[O-] ZINC000882508301 710659070 /nfs/dbraw/zinc/65/90/70/710659070.db2.gz ACMCZQDXWAHTLW-UHFFFAOYSA-N 1 0 297.399 1.909 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000856073737 710689764 /nfs/dbraw/zinc/68/97/64/710689764.db2.gz WITWYHSBUQPYHO-LLVKDONJSA-N 1 0 271.361 1.422 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000885983805 710727090 /nfs/dbraw/zinc/72/70/90/710727090.db2.gz PVLUKBUFMBEUKZ-GFCCVEGCSA-N 1 0 293.323 1.575 20 5 CDBDRO [NH3+][C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000050244017 710750233 /nfs/dbraw/zinc/75/02/33/710750233.db2.gz WVGXNCHBNZJEDI-SECBINFHSA-N 1 0 255.705 1.781 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)CC2 ZINC000843494166 710789658 /nfs/dbraw/zinc/78/96/58/710789658.db2.gz IGFARFISSUUFEU-YABSGUDNSA-N 1 0 287.319 1.258 20 5 CDBDRO Cc1c(C(=O)NC[C@H]2C[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000715142506 710844813 /nfs/dbraw/zinc/84/48/13/710844813.db2.gz VTSHFUQBVCJRBI-MGCOHNPYSA-N 1 0 263.297 1.370 20 5 CDBDRO COC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000886918188 711450806 /nfs/dbraw/zinc/45/08/06/711450806.db2.gz TZLFDHMJEXTXRT-STQMWFEESA-N 1 0 295.339 1.521 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000884009256 711515829 /nfs/dbraw/zinc/51/58/29/711515829.db2.gz QRWJMBXBQKIEJY-NSHDSACASA-N 1 0 277.324 1.646 20 5 CDBDRO CC[NH2+]CCNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000876520631 711557232 /nfs/dbraw/zinc/55/72/32/711557232.db2.gz CODPRCIBAXANQC-UHFFFAOYSA-N 1 0 265.313 1.551 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000718991232 711574368 /nfs/dbraw/zinc/57/43/68/711574368.db2.gz ZWMBQTYGFWIGJT-NSHDSACASA-N 1 0 296.298 1.929 20 5 CDBDRO O=C(NC[C@@H]1CC[NH2+]C1)Nc1cccc([N+](=O)[O-])c1 ZINC000133706724 711586605 /nfs/dbraw/zinc/58/66/05/711586605.db2.gz RNBZIPZSGZZTRL-SECBINFHSA-N 1 0 264.285 1.326 20 5 CDBDRO CO[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000819333053 711667046 /nfs/dbraw/zinc/66/70/46/711667046.db2.gz FRVKHVYCUZHAQV-ZIAGYGMSSA-N 1 0 280.324 1.643 20 5 CDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cn1cc([N+](=O)[O-])cn1 ZINC000808191086 711701270 /nfs/dbraw/zinc/70/12/70/711701270.db2.gz KKNRVYRDKINNRE-DGCLKSJQSA-N 1 0 279.344 1.307 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804454164 711741526 /nfs/dbraw/zinc/74/15/26/711741526.db2.gz MLEYIGDYQCYFCI-JTQLQIEISA-N 1 0 294.311 1.891 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CC12CCC2 ZINC000872249766 711761374 /nfs/dbraw/zinc/76/13/74/711761374.db2.gz CHVBXKGIGOTCAY-SMDDNHRTSA-N 1 0 292.335 1.867 20 5 CDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826063312 711763419 /nfs/dbraw/zinc/76/34/19/711763419.db2.gz JYGRLSPCUOYJDX-RYUDHWBXSA-N 1 0 285.388 1.621 20 5 CDBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000776582229 711766801 /nfs/dbraw/zinc/76/68/01/711766801.db2.gz MQTBNZMVRAEEBA-STQMWFEESA-N 1 0 266.297 1.349 20 5 CDBDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000710893371 711777630 /nfs/dbraw/zinc/77/76/30/711777630.db2.gz PTATWYIHCYPRAE-PELKAZGASA-N 1 0 254.261 1.858 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H]1CCCNC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840825968 711795761 /nfs/dbraw/zinc/79/57/61/711795761.db2.gz NXDGNJURSHDSLL-KOLCDFICSA-N 1 0 292.339 1.354 20 5 CDBDRO CC(C)[NH2+]CCc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000843238307 711816381 /nfs/dbraw/zinc/81/63/81/711816381.db2.gz OWKXBNVINOZWPG-UHFFFAOYSA-N 1 0 266.257 1.778 20 5 CDBDRO CC(C)([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000129616675 711817786 /nfs/dbraw/zinc/81/77/86/711817786.db2.gz MLMJMNQESCXBJN-UHFFFAOYSA-N 1 0 252.274 1.454 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC3CC2(C[NH3+])C3)c1C ZINC000884408515 711833514 /nfs/dbraw/zinc/83/35/14/711833514.db2.gz KGHGKHZXVXSZMG-UHFFFAOYSA-N 1 0 289.335 1.775 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC001164629415 719153683 /nfs/dbraw/zinc/15/36/83/719153683.db2.gz ASMNMVPDCMYWHE-GHMZBOCLSA-N 1 0 264.329 1.827 20 5 CDBDRO C[N@@H+]1CCO[C@@H]2CN(c3cc(Cl)cc([N+](=O)[O-])n3)C[C@@H]21 ZINC001164664976 719386097 /nfs/dbraw/zinc/38/60/97/719386097.db2.gz DFPGDJFSTOSHHP-VHSXEESVSA-N 1 0 298.730 1.162 20 5 CDBDRO Cc1nc(Cl)nc(N2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000234274739 721885486 /nfs/dbraw/zinc/88/54/86/721885486.db2.gz OHUIHSRIGUJIIM-VIFPVBQESA-N 1 0 299.762 1.877 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)nc1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001155583566 1167242819 /nfs/dbraw/zinc/24/28/19/1167242819.db2.gz NRZPNKARBNCQLN-CSMHCCOUSA-N 1 0 283.719 1.448 20 5 CDBDRO [NH3+][C@H](CNCCOc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC001580132441 1167711542 /nfs/dbraw/zinc/71/15/42/1167711542.db2.gz PAYKFHGFNFDRQR-VIFPVBQESA-N 1 0 289.282 1.546 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]1CO ZINC001173221755 912307364 /nfs/dbraw/zinc/30/73/64/912307364.db2.gz LUHRQYXRGLOQCI-BXUZGUMPSA-N 1 0 264.325 1.983 20 5 CDBDRO COC(=O)C1C[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173221890 912307586 /nfs/dbraw/zinc/30/75/86/912307586.db2.gz NDQPYFXKRSTIAQ-JTQLQIEISA-N 1 0 278.308 1.631 20 5 CDBDRO CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173229889 912319506 /nfs/dbraw/zinc/31/95/06/912319506.db2.gz BNYQIBIQZNHWQG-BXUZGUMPSA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCNC(=O)C1 ZINC001173231122 912328907 /nfs/dbraw/zinc/32/89/07/912328907.db2.gz XSLVGTLRDPDTJU-AAEUAGOBSA-N 1 0 291.351 1.784 20 5 CDBDRO C[C@@H](CO)C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214629 912335914 /nfs/dbraw/zinc/33/59/14/912335914.db2.gz CZSGCWMMAGOOAV-MNOVXSKESA-N 1 0 252.314 1.744 20 5 CDBDRO Cn1cc(NCC(C)(C)C[NH+](C)C)cc([N+](=O)[O-])c1=O ZINC001168767525 912524474 /nfs/dbraw/zinc/52/44/74/912524474.db2.gz CAHNEXBYVBJTAC-UHFFFAOYSA-N 1 0 282.344 1.293 20 5 CDBDRO CCn1nc(C(C)=O)c(O[C@@H](C)C[N+](C)(C)C)c1C ZINC001233659247 912943696 /nfs/dbraw/zinc/94/36/96/912943696.db2.gz DMKIOYZTYNIOHY-JTQLQIEISA-N 1 0 268.381 1.888 20 5 CDBDRO C[NH2+]Cc1c(C)nn(-c2ncc(OC)cc2[N+](=O)[O-])c1C ZINC001167099164 894500118 /nfs/dbraw/zinc/50/01/18/894500118.db2.gz NKRBERNBBATBNM-UHFFFAOYSA-N 1 0 291.311 1.520 20 5 CDBDRO CC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCC[NH2+]C1 ZINC001218281888 898592547 /nfs/dbraw/zinc/59/25/47/898592547.db2.gz MEJOCENXYYGOFJ-LLVKDONJSA-N 1 0 264.281 1.928 20 5 CDBDRO C[C@@H]1COC[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000699804215 914281354 /nfs/dbraw/zinc/28/13/54/914281354.db2.gz HGQJMLBNNXHZKM-WQAKAFBOSA-N 1 0 266.297 1.253 20 5 CDBDRO C[NH2+]CCNc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001167723017 899346098 /nfs/dbraw/zinc/34/60/98/899346098.db2.gz IGDHWEDCBBYTKC-UHFFFAOYSA-N 1 0 265.248 1.308 20 5 CDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1cc([N+](=O)[O-])cc(C)c1F ZINC001167901837 901904519 /nfs/dbraw/zinc/90/45/19/901904519.db2.gz WTSRGZMSFPUVEZ-SNVBAGLBSA-N 1 0 299.302 1.735 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cn2)C1 ZINC001225634669 903458241 /nfs/dbraw/zinc/45/82/41/903458241.db2.gz LLDJLJBKPWOHFZ-LLVKDONJSA-N 1 0 267.285 1.089 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(O)cc2oc(=O)ccc12 ZINC001229136702 907987415 /nfs/dbraw/zinc/98/74/15/907987415.db2.gz YGQXLXOKBMDCTQ-JTQLQIEISA-O 1 0 278.328 1.972 20 5 CDBDRO CC[N@@H+]1CC[C@@H](OCc2ccc([N+](=O)[O-])nc2)C1 ZINC001224109072 909165370 /nfs/dbraw/zinc/16/53/70/909165370.db2.gz MXOOLHGPRQCJII-LLVKDONJSA-N 1 0 251.286 1.601 20 5 CDBDRO COC(=O)[C@@H]1CCC[C@H](OCCC[N+](C)(C)C)C1 ZINC001224623384 909987231 /nfs/dbraw/zinc/98/72/31/909987231.db2.gz NCIWQVWMKPMTCV-OLZOCXBDSA-N 1 0 258.382 1.831 20 5 CDBDRO CC(C)(C)OC(=O)N1C[C@H](OCC[N+](C)(C)C)CC1=O ZINC001224775525 910704524 /nfs/dbraw/zinc/70/45/24/910704524.db2.gz MHFMUNOBZBDXCA-LLVKDONJSA-N 1 0 287.380 1.245 20 5 CDBDRO CNC(=O)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900491 912038656 /nfs/dbraw/zinc/03/86/56/912038656.db2.gz UJJWFCNATUUSSJ-GFCCVEGCSA-N 1 0 277.324 1.178 20 5 CDBDRO [NH3+]CC[C@H]1CN(c2nccnc2[N+](=O)[O-])c2ccccc21 ZINC001168546571 919012412 /nfs/dbraw/zinc/01/24/12/919012412.db2.gz VYRVXLMVIUJQLR-JTQLQIEISA-N 1 0 285.307 1.969 20 5 CDBDRO O=C(NCC1CC[NH2+]CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700625863 922254532 /nfs/dbraw/zinc/25/45/32/922254532.db2.gz JDQKCGUKMVEFGT-UHFFFAOYSA-N 1 0 297.742 1.978 20 5 CDBDRO O=[N+]([O-])c1c(NCCC2CCC2)ncnc1C1C[NH2+]C1 ZINC001168888610 927512805 /nfs/dbraw/zinc/51/28/05/927512805.db2.gz IXFRFOYPFNZPDF-UHFFFAOYSA-N 1 0 277.328 1.674 20 5 CDBDRO COC1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168977771 927566502 /nfs/dbraw/zinc/56/65/02/927566502.db2.gz LTSMWPDSGNHJQM-IGJPJIBNSA-N 1 0 256.346 1.979 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCN2CCCCCC2)C1 ZINC001168968131 927590681 /nfs/dbraw/zinc/59/06/81/927590681.db2.gz WKIIKBRFVFDUAI-UONOGXRCSA-N 1 0 269.389 1.897 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccnc2F)C1 ZINC001168970295 927595187 /nfs/dbraw/zinc/59/51/87/927595187.db2.gz GXTYNZTUZQFZID-ONGXEEELSA-N 1 0 253.277 1.756 20 5 CDBDRO O=C(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)Nc1ccc(F)cc1 ZINC001168995032 927601386 /nfs/dbraw/zinc/60/13/86/927601386.db2.gz RBMBVUJAPRGCEN-GXFFZTMASA-N 1 0 295.314 1.799 20 5 CDBDRO COCC1(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168998053 927602647 /nfs/dbraw/zinc/60/26/47/927602647.db2.gz HSBCZZBSSXWLOP-QWHCGFSZSA-N 1 0 286.372 1.465 20 5 CDBDRO CC(C)N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169007120 927611389 /nfs/dbraw/zinc/61/13/89/927611389.db2.gz LIFHQXCXZXYBQA-STQMWFEESA-N 1 0 255.362 1.458 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(c3cccnc3)CC2)C1 ZINC001169011092 927618124 /nfs/dbraw/zinc/61/81/24/927618124.db2.gz IGRFTIADUFBNGU-KGLIPLIRSA-N 1 0 290.367 1.649 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@H](O)CO3)CC2)C1 ZINC001169013806 927619160 /nfs/dbraw/zinc/61/91/60/927619160.db2.gz WMGIWGUITWFFFF-UPJWGTAASA-N 1 0 284.356 1.048 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)C1 ZINC001169013818 927619715 /nfs/dbraw/zinc/61/97/15/927619715.db2.gz WNGPAPGEACYJSZ-OUAUKWLOSA-N 1 0 296.289 1.679 20 5 CDBDRO COC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169013108 927620023 /nfs/dbraw/zinc/62/00/23/927620023.db2.gz TZWMYADQQYVCQV-TUAOUCFPSA-N 1 0 270.329 1.459 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccccn2)C1 ZINC001168986560 927622298 /nfs/dbraw/zinc/62/22/98/927622298.db2.gz XJYPTGMQBCMBIX-WZRBSPASSA-N 1 0 265.313 1.150 20 5 CDBDRO CCCCC[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)NC ZINC001168988175 927624646 /nfs/dbraw/zinc/62/46/46/927624646.db2.gz OSLYAHZQGSSKTG-AVGNSLFASA-N 1 0 285.388 1.716 20 5 CDBDRO CC(C)(C(N)=O)C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169034926 927640273 /nfs/dbraw/zinc/64/02/73/927640273.db2.gz IQUPKGCIWBSXNL-DGCLKSJQSA-N 1 0 297.399 1.655 20 5 CDBDRO COC(=O)[C@H]1CC[C@@H](C)[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169033303 927642339 /nfs/dbraw/zinc/64/23/39/927642339.db2.gz BSRCZECEYYJWGV-VOAKCMCISA-N 1 0 284.356 1.705 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(n3cccn3)CC2)C1 ZINC001169037116 927647522 /nfs/dbraw/zinc/64/75/22/927647522.db2.gz JBOWHZNXKSQAKQ-GXTWGEPZSA-N 1 0 278.356 1.965 20 5 CDBDRO C[N@H+](CCN1CCCC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039832 927652604 /nfs/dbraw/zinc/65/26/04/927652604.db2.gz UPXPTCALFROYDR-QWHCGFSZSA-N 1 0 255.362 1.459 20 5 CDBDRO CC[N@H+](CCN1CCOCC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039883 927654739 /nfs/dbraw/zinc/65/47/39/927654739.db2.gz VIIGUQZHZDPZDO-KGLIPLIRSA-N 1 0 285.388 1.086 20 5 CDBDRO Cc1cnc(C[NH3+])n1-c1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001169021139 927660337 /nfs/dbraw/zinc/66/03/37/927660337.db2.gz YGQOWDMRCKUCKP-UHFFFAOYSA-N 1 0 272.268 1.424 20 5 CDBDRO CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCOCC1 ZINC001169026947 927665932 /nfs/dbraw/zinc/66/59/32/927665932.db2.gz ONXLDMPITKSUJJ-DGCLKSJQSA-N 1 0 256.346 1.933 20 5 CDBDRO CCOC(=O)C[N@H+](C1CC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169050442 927670160 /nfs/dbraw/zinc/67/01/60/927670160.db2.gz ZQXIUBXMBVJFSL-ZYHUDNBSSA-N 1 0 270.329 1.459 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CC[C@@H](Oc3cccnc3)C2)C1 ZINC001169053906 927671865 /nfs/dbraw/zinc/67/18/65/927671865.db2.gz KFKKIJZEFJABLK-GZBFAFLISA-N 1 0 291.351 1.980 20 5 CDBDRO COc1cc([N+](=O)[O-])c(-n2ccc([C@@H](C)[NH3+])n2)cc1F ZINC001169232224 927842692 /nfs/dbraw/zinc/84/26/92/927842692.db2.gz BBQFARMLYLFJJS-SSDOTTSWSA-N 1 0 280.259 1.948 20 5 CDBDRO C[C@H]([NH3+])c1ccn(-c2ccc(N(C)C)cc2[N+](=O)[O-])n1 ZINC001169232253 927846196 /nfs/dbraw/zinc/84/61/96/927846196.db2.gz BVRNKZUNNAXQSM-VIFPVBQESA-N 1 0 275.312 1.866 20 5 CDBDRO [NH3+][C@H]1C[C@@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000693353560 937243987 /nfs/dbraw/zinc/24/39/87/937243987.db2.gz ZWCSLRVNFLODCH-DTORHVGOSA-N 1 0 260.253 1.850 20 5 CDBDRO [NH3+]Cc1cccn1-c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001156723989 928946999 /nfs/dbraw/zinc/94/69/99/928946999.db2.gz QUVJNOYIZMHJNF-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO N=C(Nc1cc([N+](=O)[O-])cc(Cl)n1)SCC[NH3+] ZINC001157128657 929207594 /nfs/dbraw/zinc/20/75/94/929207594.db2.gz QNPHIEUBFGISEF-UHFFFAOYSA-N 1 0 275.721 1.682 20 5 CDBDRO CN(c1ccc([N+](=O)[O-])c2c1CNC2=O)C(C)(C)C[NH3+] ZINC001170060607 929253174 /nfs/dbraw/zinc/25/31/74/929253174.db2.gz SYCZOLLTPCSHMG-UHFFFAOYSA-N 1 0 278.312 1.012 20 5 CDBDRO Cc1ccc(CNC(=O)[C@H]2C[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000884468621 930574923 /nfs/dbraw/zinc/57/49/23/930574923.db2.gz IGXYRESHLIDHQU-GFCCVEGCSA-N 1 0 291.351 1.765 20 5 CDBDRO CC[C@@H]1CN(C)CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000818972464 930748160 /nfs/dbraw/zinc/74/81/60/930748160.db2.gz WCDUYLKDMOQELY-LLVKDONJSA-N 1 0 295.314 1.900 20 5 CDBDRO C[C@@H](CO)[N@@H+](Cc1cccnc1[N+](=O)[O-])CC1CCC1 ZINC000886183412 930822907 /nfs/dbraw/zinc/82/29/07/930822907.db2.gz DBVBNZYPGKMXTR-NSHDSACASA-N 1 0 279.340 1.973 20 5 CDBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CCn1cc([N+](=O)[O-])cn1 ZINC000844221666 931557504 /nfs/dbraw/zinc/55/75/04/931557504.db2.gz ROAIYTDUAVHDPV-YOGCLGLASA-N 1 0 279.344 1.136 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@@H](C[NH3+])C(C)(C)C)n1 ZINC001160913593 932221731 /nfs/dbraw/zinc/22/17/31/932221731.db2.gz TVVMMXRLQYNFHW-QMMMGPOBSA-N 1 0 283.332 1.487 20 5 CDBDRO [NH3+]Cc1cn(-c2cc([N+](=O)[O-])c3cc[nH]c3n2)cn1 ZINC001154908699 937602819 /nfs/dbraw/zinc/60/28/19/937602819.db2.gz FTHPRUZITULWIM-UHFFFAOYSA-N 1 0 258.241 1.116 20 5 CDBDRO Cc1noc(CN2CC[C@@](O)(C3CC3)C2)c1[N+](=O)[O-] ZINC001118497405 937633715 /nfs/dbraw/zinc/63/37/15/937633715.db2.gz SOBHTCFHXFLHSV-LBPRGKRZSA-N 1 0 267.285 1.238 20 5 CDBDRO [NH3+]Cc1ccnn1-c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001155124778 937638297 /nfs/dbraw/zinc/63/82/97/937638297.db2.gz MOSWMUXFKAGVJL-UHFFFAOYSA-N 1 0 258.241 1.116 20 5 CDBDRO [NH3+]Cc1ccnn1-c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001155125179 937638973 /nfs/dbraw/zinc/63/89/73/937638973.db2.gz KXAVICTVZDZDHP-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N1CC[NH+](CC2CC2)CC1 ZINC001120013143 937773667 /nfs/dbraw/zinc/77/36/67/937773667.db2.gz AOXJZZIDLQODHB-UHFFFAOYSA-N 1 0 292.339 1.530 20 5 CDBDRO C[C@H](CNc1cc(N)c([N+](=O)[O-])cn1)C[NH+](C)C ZINC001120848193 937841434 /nfs/dbraw/zinc/84/14/34/937841434.db2.gz BUEYAAMRGNJCIO-MRVPVSSYSA-N 1 0 253.306 1.182 20 5 CDBDRO O=C(NCC[C@H]1CSCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001122084142 937904397 /nfs/dbraw/zinc/90/43/97/937904397.db2.gz WWSNOOSUIHAQCQ-JTQLQIEISA-N 1 0 295.364 1.420 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001122244677 937915418 /nfs/dbraw/zinc/91/54/18/937915418.db2.gz DRCOGYWMRGYISF-IACUBPJLSA-N 1 0 289.335 1.648 20 5 CDBDRO [NH3+]Cc1cnc2c(ccn2-c2ncc(F)cc2[N+](=O)[O-])c1 ZINC001156594257 938390765 /nfs/dbraw/zinc/39/07/65/938390765.db2.gz XBKVRIRITZOCLY-UHFFFAOYSA-N 1 0 287.254 1.927 20 5 CDBDRO N=C(Nc1nccc(Cl)c1[N+](=O)[O-])SCC[NH3+] ZINC001157128373 938457305 /nfs/dbraw/zinc/45/73/05/938457305.db2.gz JTDPRQZWIPMYQR-UHFFFAOYSA-N 1 0 275.721 1.682 20 5 CDBDRO CCC1(Nc2ncc([N+](=O)[O-])c(C)c2C)C[NH2+]C1 ZINC001157784659 938545124 /nfs/dbraw/zinc/54/51/24/938545124.db2.gz HOVUQDOWFAZCFB-UHFFFAOYSA-N 1 0 250.302 1.771 20 5 CDBDRO Cc1nc(Cl)nc(-n2cc(CC[NH3+])cn2)c1[N+](=O)[O-] ZINC001158096502 938582643 /nfs/dbraw/zinc/58/26/43/938582643.db2.gz YWTGGAFJWGURFX-UHFFFAOYSA-N 1 0 282.691 1.034 20 5 CDBDRO CCN(c1c(C)c([N+](=O)[O-])cc[n+]1[O-])[C@@H]1CCC[NH2+]C1 ZINC001158204632 938595197 /nfs/dbraw/zinc/59/51/97/938595197.db2.gz HOIUGKPOBJVGPC-LLVKDONJSA-N 1 0 280.328 1.115 20 5 CDBDRO Cc1ccc(NC(=O)[C@H]2CC[N@@H+](C)C2)c(N)c1[N+](=O)[O-] ZINC001158225041 938597330 /nfs/dbraw/zinc/59/73/30/938597330.db2.gz UDTNBQGRIUDOCC-VIFPVBQESA-N 1 0 278.312 1.376 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1-n1cc(CC[NH3+])c2ncccc21 ZINC001158751207 938660138 /nfs/dbraw/zinc/66/01/38/938660138.db2.gz FQMJTODUEHDYJP-UHFFFAOYSA-N 1 0 298.306 1.412 20 5 CDBDRO COc1cc(N(C)C(C)(C)C[NH3+])ncc1[N+](=O)[O-] ZINC001159054527 938698368 /nfs/dbraw/zinc/69/83/68/938698368.db2.gz MUBNFKWFEFNZSH-UHFFFAOYSA-N 1 0 254.290 1.172 20 5 CDBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cc([N+](=O)[O-])ccn2)O1 ZINC001159238534 938714708 /nfs/dbraw/zinc/71/47/08/938714708.db2.gz NDVIICJAUOWQPP-NQBHXWOUSA-N 1 0 296.327 1.127 20 5 CDBDRO O=[N+]([O-])c1ccc2ccnc(N[C@H]3C[NH2+]C[C@@H]3CO)c2c1 ZINC001159683316 938745367 /nfs/dbraw/zinc/74/53/67/938745367.db2.gz VBGVMBGNDWSLNE-MFKMUULPSA-N 1 0 288.307 1.135 20 5 CDBDRO COc1nc(-n2ccc3cccc(C[NH3+])c32)ncc1[N+](=O)[O-] ZINC001160453827 938787904 /nfs/dbraw/zinc/78/79/04/938787904.db2.gz QHRNZPZJIOKBMC-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO Cn1cc(NCCCC[NH+](C)C)cc([N+](=O)[O-])c1=O ZINC001161730973 938927675 /nfs/dbraw/zinc/92/76/75/938927675.db2.gz MQCDAJCCVSWUPK-UHFFFAOYSA-N 1 0 268.317 1.047 20 5 CDBDRO COCCC1([NH3+])CCN(c2nc(C)ncc2[N+](=O)[O-])CC1 ZINC001162042060 938953820 /nfs/dbraw/zinc/95/38/20/938953820.db2.gz WVPRUZCRCSYBJI-UHFFFAOYSA-N 1 0 295.343 1.027 20 5 CDBDRO Cc1ccnc(-n2c(C[NH3+])nc3cnccc32)c1[N+](=O)[O-] ZINC001162215363 938962342 /nfs/dbraw/zinc/96/23/42/938962342.db2.gz VZSUPFGXAPSFOW-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N[C@H]1COCCC12C[NH2+]C2 ZINC001163073755 939191271 /nfs/dbraw/zinc/19/12/71/939191271.db2.gz QTGFWGMSVRSMCM-LBPRGKRZSA-N 1 0 277.324 1.694 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2nc(NC[C@@]34C[NH2+][C@@H](CO3)C4)ccc12 ZINC001163191591 939222581 /nfs/dbraw/zinc/22/25/81/939222581.db2.gz PDZMHYMAUBAMML-AMIZOPFISA-N 1 0 289.295 1.014 20 5 CDBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001163342601 939251731 /nfs/dbraw/zinc/25/17/31/939251731.db2.gz AXFRBYMKVLJANF-NRUUGDAUSA-N 1 0 289.295 1.012 20 5 CDBDRO CN(CCC[NH+](C)C)c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001163597730 939291584 /nfs/dbraw/zinc/29/15/84/939291584.db2.gz IWEUAKVCKVRYIW-UHFFFAOYSA-N 1 0 277.328 1.859 20 5 CDBDRO COc1nc(N2C[C@H](C)CC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC001164071550 939404952 /nfs/dbraw/zinc/40/49/52/939404952.db2.gz UEZYMFOLFAJUKW-NXEZZACHSA-N 1 0 280.328 1.562 20 5 CDBDRO COc1cc(C)nc(N2CCC[C@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC001165072877 939506702 /nfs/dbraw/zinc/50/67/02/939506702.db2.gz PKTCDQATTKFCCT-NSHDSACASA-N 1 0 294.355 1.837 20 5 CDBDRO C[NH+]1C[C@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)C[C@@H]2C1 ZINC001165150582 939519084 /nfs/dbraw/zinc/51/90/84/939519084.db2.gz RXOMZPKXMKQQES-QWRGUYRKSA-N 1 0 299.334 1.536 20 5 CDBDRO Nc1nc(N2CCC3(CC([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001165243792 939532148 /nfs/dbraw/zinc/53/21/48/939532148.db2.gz PQQIGUNHKPWPNO-UHFFFAOYSA-N 1 0 277.328 1.280 20 5 CDBDRO [NH3+][C@]12C[C@H]1CN(c1ccc3ccc([N+](=O)[O-])cc3n1)C2 ZINC001165312615 939544383 /nfs/dbraw/zinc/54/43/83/939544383.db2.gz BPBHKJICBYFGHO-HZMBPMFUSA-N 1 0 270.292 1.680 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]3[NH2+]C[C@H]32)c(F)c1 ZINC001165388683 939556752 /nfs/dbraw/zinc/55/67/52/939556752.db2.gz CRNQSOOXLILQNR-VHSXEESVSA-N 1 0 252.249 1.070 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]3[NH2+]C[C@@H]32)c(F)c1 ZINC001165388685 939556829 /nfs/dbraw/zinc/55/68/29/939556829.db2.gz CRNQSOOXLILQNR-ZJUUUORDSA-N 1 0 252.249 1.070 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001166900541 939647305 /nfs/dbraw/zinc/64/73/05/939647305.db2.gz PTCGTOJMKWYQHG-CYBMUJFWSA-N 1 0 291.355 1.540 20 5 CDBDRO O=[N+]([O-])c1cc(F)cc([N+](=O)[O-])c1O[C@H]1CC[NH2+]C1 ZINC001218176681 941041857 /nfs/dbraw/zinc/04/18/57/941041857.db2.gz IUEHBPZOVKCOFJ-ZETCQYMHSA-N 1 0 271.204 1.383 20 5 CDBDRO [NH3+]C[C@H](O)CC(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979478 941296483 /nfs/dbraw/zinc/29/64/83/941296483.db2.gz NAFAMTZOIDZIIG-LLVKDONJSA-N 1 0 296.330 1.431 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC001524168554 970813412 /nfs/dbraw/zinc/81/34/12/970813412.db2.gz MMIUAEXZQJMBIZ-XYPYZODXSA-N 1 0 277.324 1.740 20 5 CDBDRO C[C@H](C[NH+](C)C)Oc1c(Cl)nccc1[N+](=O)[O-] ZINC001225430823 941858843 /nfs/dbraw/zinc/85/88/43/941858843.db2.gz HBDMRDDQCSTADJ-SSDOTTSWSA-N 1 0 259.693 1.972 20 5 CDBDRO CCOC(=O)c1c(O)cc(C)nc1O[C@@H](C)C[N+](C)(C)C ZINC001226023513 941942737 /nfs/dbraw/zinc/94/27/37/941942737.db2.gz PIXICFVEPFOPIA-NSHDSACASA-O 1 0 297.375 1.746 20 5 CDBDRO C[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC001226166990 941961616 /nfs/dbraw/zinc/96/16/16/941961616.db2.gz BMNLGBYDCWRAQE-NSHDSACASA-N 1 0 293.323 1.557 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2c1OCCO2 ZINC001226627664 942037849 /nfs/dbraw/zinc/03/78/49/942037849.db2.gz KQBUYLBQVUXYGM-LLVKDONJSA-N 1 0 252.334 1.931 20 5 CDBDRO COc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(OC)c1 ZINC001226829323 942080319 /nfs/dbraw/zinc/08/03/19/942080319.db2.gz WINSXFYTZMSSCE-LLVKDONJSA-N 1 0 298.359 1.066 20 5 CDBDRO CN1CCO[C@H](COc2cc(Cl)c([N+](=O)[O-])cn2)C1 ZINC001226914976 942093029 /nfs/dbraw/zinc/09/30/29/942093029.db2.gz CMWFADRJJJAEJY-QMMMGPOBSA-N 1 0 287.703 1.353 20 5 CDBDRO CCc1c[nH]c(=S)nc1O[C@@H](C)C[N+](C)(C)C ZINC001227062085 942123916 /nfs/dbraw/zinc/12/39/16/942123916.db2.gz RSZWLESMJVZJPC-VIFPVBQESA-O 1 0 256.395 1.801 20 5 CDBDRO O=[N+]([O-])c1cnc(O[C@@H]2C[NH+]3CCC2CC3)c2[nH]cnc21 ZINC001227690973 942205493 /nfs/dbraw/zinc/20/54/93/942205493.db2.gz LLUGHGOCGSDMIC-SNVBAGLBSA-N 1 0 289.295 1.339 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOc2cnccc2[N+](=O)[O-])C1 ZINC001228882902 942387504 /nfs/dbraw/zinc/38/75/04/942387504.db2.gz SKSXWXJAMYIKNJ-SNVBAGLBSA-N 1 0 267.285 1.089 20 5 CDBDRO CC(=O)Nc1ccc(O[C@H](C)C[N+](C)(C)C)cn1 ZINC001229103497 942419451 /nfs/dbraw/zinc/41/94/51/942419451.db2.gz XSRPOEOLDGCSTL-SNVBAGLBSA-O 1 0 252.338 1.514 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cc[n+]([O-])cc2[N+](=O)[O-])C1 ZINC001229451988 942476836 /nfs/dbraw/zinc/47/68/36/942476836.db2.gz LOSVGGGERQSBGG-SNVBAGLBSA-N 1 0 267.285 1.090 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2ncn(C)c(=O)c2c1 ZINC001233773217 943655199 /nfs/dbraw/zinc/65/51/99/943655199.db2.gz IWRHVKWNRKEHBW-LLVKDONJSA-N 1 0 276.360 1.407 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](Oc2ccnc([N+](=O)[O-])c2)C1 ZINC001233857489 943674384 /nfs/dbraw/zinc/67/43/84/943674384.db2.gz NAPCHQFIVGCCQM-LLVKDONJSA-N 1 0 251.286 1.853 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001233860513 943675835 /nfs/dbraw/zinc/67/58/35/943675835.db2.gz ANEFOPSHYLKFBH-SNVBAGLBSA-N 1 0 295.295 1.249 20 5 CDBDRO COC(=O)c1ccc2[nH]nc(O[C@H](C)C[N+](C)(C)C)c2c1 ZINC001234033280 943721446 /nfs/dbraw/zinc/72/14/46/943721446.db2.gz UTPQHZUPAIKDSH-SNVBAGLBSA-O 1 0 292.359 1.823 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(O[C@H]2CCC[N@H+](C)CC2)n1 ZINC001234877886 943964357 /nfs/dbraw/zinc/96/43/57/943964357.db2.gz DMYKNHYRHYCLTR-JTQLQIEISA-N 1 0 281.312 1.862 20 5 CDBDRO COC(=O)[C@@H]1C[C@@H]1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254548484 947520384 /nfs/dbraw/zinc/52/03/84/947520384.db2.gz MOUBDZLRWCXFNP-RAIGVLPGSA-N 1 0 292.335 1.925 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCOC[C@@](C)(O)C1 ZINC001254552605 947520501 /nfs/dbraw/zinc/52/05/01/947520501.db2.gz NJYPLBPYXRUXMQ-DOMZBBRYSA-N 1 0 294.351 1.609 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CNC(=O)C1(C)C ZINC001254550306 947523128 /nfs/dbraw/zinc/52/31/28/947523128.db2.gz HLVBXKAAOCVTJJ-MFKMUULPSA-N 1 0 291.351 1.640 20 5 CDBDRO CC(C)NC(=O)C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254571790 947530610 /nfs/dbraw/zinc/53/06/10/947530610.db2.gz BUYDOVFTKUYMBR-LBPRGKRZSA-N 1 0 277.324 1.176 20 5 CDBDRO [NH3+]CCN(c1ccccn1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573512 947533601 /nfs/dbraw/zinc/53/36/01/947533601.db2.gz BDWOIRMUFKSZDK-HNNXBMFYSA-N 1 0 298.346 1.922 20 5 CDBDRO CN1CC(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254578059 947535459 /nfs/dbraw/zinc/53/54/59/947535459.db2.gz ITSSRFCRJNCLAB-CYBMUJFWSA-N 1 0 261.325 1.213 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCc1ncccn1)C2 ZINC001254577012 947535700 /nfs/dbraw/zinc/53/57/00/947535700.db2.gz BHNXTEPYPCGMTG-CYBMUJFWSA-N 1 0 284.319 1.684 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H](CO)C1CC1)C2 ZINC001254581198 947537690 /nfs/dbraw/zinc/53/76/90/947537690.db2.gz MEVZDIZUZYBEKY-JSGCOSHPSA-N 1 0 262.309 1.423 20 5 CDBDRO CC(C)[C@@](C)([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254581024 947538276 /nfs/dbraw/zinc/53/82/76/947538276.db2.gz IENJSHDXSYEWJY-SWLSCSKDSA-N 1 0 291.351 1.552 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CNCCC1=O ZINC001246295643 948090148 /nfs/dbraw/zinc/09/01/48/948090148.db2.gz URCCWINXHHNVQC-ZWNOBZJWSA-N 1 0 277.324 1.046 20 5 CDBDRO C[C@H](C(=O)NCC[NH+]1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC001255847799 948114171 /nfs/dbraw/zinc/11/41/71/948114171.db2.gz XHQLVIPZSBSOIP-LBPRGKRZSA-N 1 0 289.335 1.686 20 5 CDBDRO CC(C)[C@@H]1C[NH2+]CCN1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246695962 948406286 /nfs/dbraw/zinc/40/62/86/948406286.db2.gz OICXXTJPPWYYQN-HOTGVXAUSA-N 1 0 289.379 1.992 20 5 CDBDRO CN(C[C@@H]1CCC[NH2+]1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246890121 948504398 /nfs/dbraw/zinc/50/43/98/948504398.db2.gz SPRFTHWXOXFDIS-DZGCQCFKSA-N 1 0 275.352 1.746 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(C)C[C@H](C)[NH3+] ZINC001246980828 948558937 /nfs/dbraw/zinc/55/89/37/948558937.db2.gz LQTXPVSWDZWRSE-WDEREUQCSA-N 1 0 251.330 1.805 20 5 CDBDRO C[NH+](C)CCCc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247431782 948630442 /nfs/dbraw/zinc/63/04/42/948630442.db2.gz BBGKHANUXQGLFP-UHFFFAOYSA-N 1 0 295.274 1.673 20 5 CDBDRO O=[N+]([O-])c1ccc(OC[C@H]2CCC[NH2+]C2)cc1CO ZINC001326017744 954184454 /nfs/dbraw/zinc/18/44/54/954184454.db2.gz IKXFIYXUKWUQHK-JTQLQIEISA-N 1 0 266.297 1.466 20 5 CDBDRO Cn1cc([N+](=O)[O-])c(NC2CC[NH+](C3CC3)CC2)n1 ZINC001306924471 956349025 /nfs/dbraw/zinc/34/90/25/956349025.db2.gz FGSHYBPZILLCRN-UHFFFAOYSA-N 1 0 265.317 1.367 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC([NH2+]C3CCOCC3)C2)c1 ZINC001307207978 956379986 /nfs/dbraw/zinc/37/99/86/956379986.db2.gz BVXNBCFQGIUGAX-UHFFFAOYSA-N 1 0 291.351 1.860 20 5 CDBDRO C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001307884941 956452082 /nfs/dbraw/zinc/45/20/82/956452082.db2.gz WQHMCSTYYBVWGD-FOGDFJRCSA-N 1 0 292.339 1.464 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001330625563 956525603 /nfs/dbraw/zinc/52/56/03/956525603.db2.gz PKVSFOXVFMJULW-AOOOYVTPSA-N 1 0 290.323 1.213 20 5 CDBDRO COCc1n[nH]c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC001308854773 956589099 /nfs/dbraw/zinc/58/90/99/956589099.db2.gz PSFIIKLDNYAWDC-UHFFFAOYSA-N 1 0 291.311 1.192 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001318672726 958224485 /nfs/dbraw/zinc/22/44/85/958224485.db2.gz VAPQVVGZUILOQE-NEPJUHHUSA-N 1 0 294.355 1.536 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CCn1ncc([N+](=O)[O-])c1N ZINC001334797136 959373042 /nfs/dbraw/zinc/37/30/42/959373042.db2.gz OVQQEBQTRBXMKT-VIFPVBQESA-N 1 0 253.306 1.248 20 5 CDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001335252880 959665068 /nfs/dbraw/zinc/66/50/68/959665068.db2.gz QOACPEWFPCBFGP-CYBMUJFWSA-N 1 0 290.323 1.324 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001336684560 960465320 /nfs/dbraw/zinc/46/53/20/960465320.db2.gz JHIZGMFOCQNGIM-ZJUUUORDSA-N 1 0 265.317 1.367 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001323175997 960504751 /nfs/dbraw/zinc/50/47/51/960504751.db2.gz XSLVUUGPRVSOCY-PHIMTYICSA-N 1 0 262.313 1.296 20 5 CDBDRO Cn1ccnc1C[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC001336736722 960523722 /nfs/dbraw/zinc/52/37/22/960523722.db2.gz MQNPCRYGKNSUQY-ZDUSSCGKSA-N 1 0 274.324 1.570 20 5 CDBDRO Cc1cnc(N2CCC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001323204249 960536406 /nfs/dbraw/zinc/53/64/06/960536406.db2.gz CMADCHXANAQJGL-LBPRGKRZSA-N 1 0 276.340 1.973 20 5 CDBDRO [NH3+]Cc1nccnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001337066518 960905591 /nfs/dbraw/zinc/90/55/91/960905591.db2.gz IOBDMRXKVJQVIY-UHFFFAOYSA-N 1 0 285.307 1.406 20 5 CDBDRO CO[C@@]1(C)C[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001338566561 961882919 /nfs/dbraw/zinc/88/29/19/961882919.db2.gz JNTRLMGXYBYNMC-HONMWMINSA-N 1 0 296.323 1.102 20 5 CDBDRO C[C@@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC001341741447 963527481 /nfs/dbraw/zinc/52/74/81/963527481.db2.gz QELWRVWOYGNLLY-KMLBCRHOSA-N 1 0 275.308 1.237 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341776918 963538683 /nfs/dbraw/zinc/53/86/83/963538683.db2.gz CVMVMRNUUDFWAW-HONMWMINSA-N 1 0 291.351 1.942 20 5 CDBDRO Cc1c(CC(=O)N2CC[C@H](CC[NH3+])C2)cccc1[N+](=O)[O-] ZINC001341874620 963567286 /nfs/dbraw/zinc/56/72/86/963567286.db2.gz XEWJBBIQMPBGFB-LBPRGKRZSA-N 1 0 291.351 1.643 20 5 CDBDRO C[C@@H]1C[C@H](C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]1 ZINC001343317100 963948824 /nfs/dbraw/zinc/94/88/24/963948824.db2.gz RNKIYNYQOWFSIZ-GHMZBOCLSA-N 1 0 289.335 1.825 20 5 CDBDRO Cc1c(CC(=O)N[C@H]2C[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC001346406647 965087199 /nfs/dbraw/zinc/08/71/99/965087199.db2.gz AGMNYVYSCIGGLB-XYPYZODXSA-N 1 0 263.297 1.052 20 5 CDBDRO CO[C@@]1(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCOC1 ZINC001352840165 967510837 /nfs/dbraw/zinc/51/08/37/967510837.db2.gz VVZXWVYLSPZPRU-OAHLLOKOSA-N 1 0 292.335 1.758 20 5 CDBDRO COc1ccc(C[C@@H](C)[N@H+](C)CC[N+](=O)[O-])cc1 ZINC001354403366 968699801 /nfs/dbraw/zinc/69/98/01/968699801.db2.gz ALUAVYPEGSHAJD-LLVKDONJSA-N 1 0 252.314 1.835 20 5 CDBDRO CC(C)(NC(=O)[C@H]1C[C@@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC001573485343 1170670772 /nfs/dbraw/zinc/67/07/72/1170670772.db2.gz YRUCJLVQBPHAKQ-AOOOYVTPSA-N 1 0 277.324 1.683 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC001575460387 1171178116 /nfs/dbraw/zinc/17/81/16/1171178116.db2.gz RELSAGJKKCWFFB-JTQLQIEISA-N 1 0 271.292 1.621 20 5 CDBDRO CCN(C(=O)c1cc([N+](=O)[O-])ccc1OC)[C@@H]1CC[NH2+]C1 ZINC001577644022 1171711196 /nfs/dbraw/zinc/71/11/96/1171711196.db2.gz WNYLBHGRWKYZKH-LLVKDONJSA-N 1 0 293.323 1.427 20 5 CDBDRO CCOC(=O)c1ccnc(N2C[C@@H]([NH3+])C[C@@H]2C)c1[N+](=O)[O-] ZINC001578060982 1171797152 /nfs/dbraw/zinc/79/71/52/1171797152.db2.gz JBFVUODTHQJRGQ-IUCAKERBSA-N 1 0 294.311 1.092 20 5 CDBDRO CN(Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578485515 1171932351 /nfs/dbraw/zinc/93/23/51/1171932351.db2.gz GZNFMMYYTCCLTC-PJXYFTJBSA-N 1 0 281.743 1.898 20 5 CDBDRO O=C(NCC[NH+]1CCCCC1)c1csc([N+](=O)[O-])c1 ZINC000044529639 341978545 /nfs/dbraw/zinc/97/85/45/341978545.db2.gz YVNMVBVQZMYYTK-UHFFFAOYSA-N 1 0 283.353 1.872 20 5 CDBDRO Cc1cc(NC[C@H]2CCCC[NH2+]2)ncc1[N+](=O)[O-] ZINC000092027569 342516851 /nfs/dbraw/zinc/51/68/51/342516851.db2.gz RIHXJXXOZIZICV-SNVBAGLBSA-N 1 0 250.302 1.852 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000320669366 341993826 /nfs/dbraw/zinc/99/38/26/341993826.db2.gz JHPLWUNUEACPNY-YUMQZZPRSA-N 1 0 269.276 1.590 20 5 CDBDRO CC[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000601291028 342549645 /nfs/dbraw/zinc/54/96/45/342549645.db2.gz DYQHDAGOIQMETC-UPJWGTAASA-N 1 0 266.297 1.395 20 5 CDBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC[C@H](O)C2)cc1 ZINC000599202604 343980849 /nfs/dbraw/zinc/98/08/49/343980849.db2.gz QYMAZQAKGATCOK-LBPRGKRZSA-N 1 0 251.286 1.073 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@H]([NH3+])C[C@@H]1C ZINC000601330385 342554659 /nfs/dbraw/zinc/55/46/59/342554659.db2.gz SNZCONCYBIBXKY-GXSJLCMTSA-N 1 0 265.313 1.525 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000070170032 361739465 /nfs/dbraw/zinc/73/94/65/361739465.db2.gz MGSOMRCDVHLUAP-SNVBAGLBSA-N 1 0 280.328 1.134 20 5 CDBDRO [NH3+]CCC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000070187769 361772482 /nfs/dbraw/zinc/77/24/82/361772482.db2.gz NXTSRLDMGYFHFP-UHFFFAOYSA-N 1 0 267.285 1.389 20 5 CDBDRO COCCOC[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000234732836 342046914 /nfs/dbraw/zinc/04/69/14/342046914.db2.gz YKKHIZZJTQDWOF-ZDUSSCGKSA-N 1 0 298.339 1.017 20 5 CDBDRO COC[C@H](C)OC[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000234841292 342047478 /nfs/dbraw/zinc/04/74/78/342047478.db2.gz SGEFOXGNHLWPDI-SMDDNHRTSA-N 1 0 298.339 1.097 20 5 CDBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000590578148 342577324 /nfs/dbraw/zinc/57/73/24/342577324.db2.gz NPRJVSZQWWRZHJ-SNVBAGLBSA-N 1 0 279.344 1.350 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000591063318 342614844 /nfs/dbraw/zinc/61/48/44/342614844.db2.gz OVKSQLXRFXXAFT-ZDUSSCGKSA-N 1 0 291.351 1.879 20 5 CDBDRO CC(C)NC(=O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000036781777 342618218 /nfs/dbraw/zinc/61/82/18/342618218.db2.gz CRWFGMUYLBHPDU-UHFFFAOYSA-N 1 0 265.313 1.252 20 5 CDBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2CCCC[NH2+]2)c(F)c1 ZINC000591275657 342623893 /nfs/dbraw/zinc/62/38/93/342623893.db2.gz PQVCPWTWJJMMCN-NSHDSACASA-N 1 0 267.304 1.966 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3CC[NH2+][C@@H]3C2)s1 ZINC000591437335 342631858 /nfs/dbraw/zinc/63/18/58/342631858.db2.gz GMWZERTVXMIUQB-RKDXNWHRSA-N 1 0 253.327 1.845 20 5 CDBDRO Cc1nn(C)c(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000591444686 342632547 /nfs/dbraw/zinc/63/25/47/342632547.db2.gz FELBPRMLUTXCQA-NEPJUHHUSA-N 1 0 293.371 1.463 20 5 CDBDRO O=[N+]([O-])c1ccc(CCN2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000591448637 342633015 /nfs/dbraw/zinc/63/30/15/342633015.db2.gz KUVFBTHDAIWWDJ-UKRRQHHQSA-N 1 0 275.352 1.821 20 5 CDBDRO CC1(C)C[NH2+][C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000591672220 342641368 /nfs/dbraw/zinc/64/13/68/342641368.db2.gz CUSPUOCZXAKJNS-GFCCVEGCSA-N 1 0 293.323 1.088 20 5 CDBDRO CC(C)c1ccc(C(=O)NC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000592333856 342685653 /nfs/dbraw/zinc/68/56/53/342685653.db2.gz VQAVLZREHSCFOG-SECBINFHSA-N 1 0 265.313 1.795 20 5 CDBDRO Cn1c(-c2nc([C@H]3CCC[NH2+]3)no2)ccc1[N+](=O)[O-] ZINC000592356748 342687927 /nfs/dbraw/zinc/68/79/27/342687927.db2.gz HUMARRNNQCCCOK-SSDOTTSWSA-N 1 0 263.257 1.408 20 5 CDBDRO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CC1C[NH2+]C1 ZINC000592158788 342670847 /nfs/dbraw/zinc/67/08/47/342670847.db2.gz SPPDQCFXMZSFFT-UHFFFAOYSA-N 1 0 286.291 1.038 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000592544923 342709078 /nfs/dbraw/zinc/70/90/78/342709078.db2.gz KBEHKCRIXDGFRJ-VXGBXAGGSA-N 1 0 289.335 1.727 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](N)CC[NH+](C)C ZINC000593902598 342853873 /nfs/dbraw/zinc/85/38/73/342853873.db2.gz BHKCGNICJAROAY-LLVKDONJSA-N 1 0 280.328 1.121 20 5 CDBDRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000125533672 187190083 /nfs/dbraw/zinc/19/00/83/187190083.db2.gz ACLVHKNKBCKLRA-MGNBDDOMSA-N 1 0 270.354 1.842 20 5 CDBDRO CC(C)[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000125578564 187191727 /nfs/dbraw/zinc/19/17/27/187191727.db2.gz WUGUOVXCJBBSMU-CYBMUJFWSA-N 1 0 279.340 1.797 20 5 CDBDRO C[NH2+]C[C@@H](C)CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000133236017 342235515 /nfs/dbraw/zinc/23/55/15/342235515.db2.gz JRGRCNXJTKOMSN-MRVPVSSYSA-N 1 0 291.311 1.099 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000092954244 342270425 /nfs/dbraw/zinc/27/04/25/342270425.db2.gz YDOOCJNJFBPXOX-CMPLNLGQSA-N 1 0 277.324 1.551 20 5 CDBDRO CN(CCC[NH3+])C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000158740165 342301907 /nfs/dbraw/zinc/30/19/07/342301907.db2.gz WAIYTRMTJIZLPJ-UHFFFAOYSA-N 1 0 280.328 1.204 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCO ZINC000595006134 342989257 /nfs/dbraw/zinc/98/92/57/342989257.db2.gz HXASBMWPWPQVCW-SECBINFHSA-N 1 0 254.286 1.636 20 5 CDBDRO COC[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)OC ZINC000595035679 342997450 /nfs/dbraw/zinc/99/74/50/342997450.db2.gz ZSUOBTATZBPPMD-PWSUYJOCSA-N 1 0 298.339 1.915 20 5 CDBDRO Cc1noc(CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595408716 343050936 /nfs/dbraw/zinc/05/09/36/343050936.db2.gz SDTSNUZKQUXVRZ-BDAKNGLRSA-N 1 0 268.317 1.416 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235729225 362040459 /nfs/dbraw/zinc/04/04/59/362040459.db2.gz IUAHAHKVIOSWGX-GXSJLCMTSA-N 1 0 263.297 1.465 20 5 CDBDRO C[NH+](C)CC(C)(C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000457209949 365708150 /nfs/dbraw/zinc/70/81/50/365708150.db2.gz PLJAWVUYLICNMF-UHFFFAOYSA-N 1 0 283.303 1.804 20 5 CDBDRO CC(C)[C@H]1C[N@H+](C)CCN1c1ncccc1[N+](=O)[O-] ZINC000078022586 342333015 /nfs/dbraw/zinc/33/30/15/342333015.db2.gz WSQDAEQDYITALQ-GFCCVEGCSA-N 1 0 264.329 1.766 20 5 CDBDRO CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000290116991 362105855 /nfs/dbraw/zinc/10/58/55/362105855.db2.gz KIYJYLPSNXNCJW-BPNCWPANSA-N 1 0 280.324 1.968 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000595930916 343184420 /nfs/dbraw/zinc/18/44/20/343184420.db2.gz RVFNRDGAYXTKGB-VIFPVBQESA-N 1 0 251.286 1.840 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000595973841 343201229 /nfs/dbraw/zinc/20/12/29/343201229.db2.gz PZLIGBDMPKUDOM-NXEZZACHSA-N 1 0 295.343 1.298 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000595983741 343211219 /nfs/dbraw/zinc/21/12/19/343211219.db2.gz RMJGRIZKSCUIBK-SECBINFHSA-N 1 0 251.286 1.241 20 5 CDBDRO CC(C)(C)[NH2+]CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596106035 343228596 /nfs/dbraw/zinc/22/85/96/343228596.db2.gz SDZVYRXLVVIBQX-UHFFFAOYSA-N 1 0 272.736 1.865 20 5 CDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccc(N)c([N+](=O)[O-])n1 ZINC000596138242 343240999 /nfs/dbraw/zinc/24/09/99/343240999.db2.gz HDOHWDQHVVFBOY-NSHDSACASA-N 1 0 293.371 1.883 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000596246638 343286284 /nfs/dbraw/zinc/28/62/84/343286284.db2.gz XLBKEMCWHZVZKU-ONGXEEELSA-N 1 0 281.360 1.648 20 5 CDBDRO CC(C)[NH2+]C1(CO)CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000596251704 343274777 /nfs/dbraw/zinc/27/47/77/343274777.db2.gz WXEMKMNEQOZMKO-UHFFFAOYSA-N 1 0 294.355 1.319 20 5 CDBDRO C[NH+](C)C1CCC(Nc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596279038 343296818 /nfs/dbraw/zinc/29/68/18/343296818.db2.gz UCXOIPZWJJWDHF-UHFFFAOYSA-N 1 0 279.344 1.279 20 5 CDBDRO Cc1ncc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])n1C ZINC000597128728 343452935 /nfs/dbraw/zinc/45/29/35/343452935.db2.gz YIHYHYVHHGVRKC-UHFFFAOYSA-N 1 0 289.339 1.602 20 5 CDBDRO COc1cc(C(=O)N2CC(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000597709539 343606573 /nfs/dbraw/zinc/60/65/73/343606573.db2.gz XHKCAOUEEYFCRD-UHFFFAOYSA-N 1 0 293.323 1.237 20 5 CDBDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598646901 343856178 /nfs/dbraw/zinc/85/61/78/343856178.db2.gz DNKAXPLWSFCPOF-LLVKDONJSA-N 1 0 297.742 1.959 20 5 CDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000598666874 343862141 /nfs/dbraw/zinc/86/21/41/343862141.db2.gz AOUIZQIZFGSRPX-SMDDNHRTSA-N 1 0 275.308 1.548 20 5 CDBDRO CCC(CC)[NH2+]CCNc1ncc([N+](=O)[O-])s1 ZINC000599097941 343954099 /nfs/dbraw/zinc/95/40/99/343954099.db2.gz NUMQZGZKWSOMAF-UHFFFAOYSA-N 1 0 258.347 1.663 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCOC[C@H]1O ZINC000599080048 343956638 /nfs/dbraw/zinc/95/66/38/343956638.db2.gz JJPNTXJIOPSAOW-OUCADQQQSA-N 1 0 278.308 1.322 20 5 CDBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC[C@@H](O)C2)s1 ZINC000599175515 343965581 /nfs/dbraw/zinc/96/55/81/343965581.db2.gz DSQJLXISBQDDLN-MRVPVSSYSA-N 1 0 257.315 1.135 20 5 CDBDRO CC[C@]1(C(C)C)C[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515467586 362318538 /nfs/dbraw/zinc/31/85/38/362318538.db2.gz DQIGZTALYYAZFF-BFHYXJOUSA-N 1 0 296.371 1.567 20 5 CDBDRO CCN(CC[NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000599590842 344087489 /nfs/dbraw/zinc/08/74/89/344087489.db2.gz RMQPGBDENBNZIS-UHFFFAOYSA-N 1 0 282.300 1.416 20 5 CDBDRO CCN(CC[NH3+])C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000599604601 344101320 /nfs/dbraw/zinc/10/13/20/344101320.db2.gz PJHPZINPWUZCQD-UHFFFAOYSA-N 1 0 282.300 1.416 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000599605481 344101397 /nfs/dbraw/zinc/10/13/97/344101397.db2.gz XZCHEKMWYVHNEX-SNVBAGLBSA-N 1 0 294.311 1.013 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC=CCC1 ZINC000612121911 347031452 /nfs/dbraw/zinc/03/14/52/347031452.db2.gz SYGIZLJQXUDRBZ-GFCCVEGCSA-N 1 0 278.308 1.596 20 5 CDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000051423363 344284082 /nfs/dbraw/zinc/28/40/82/344284082.db2.gz RCFCYZDWLSKIIU-ZDUSSCGKSA-N 1 0 280.324 1.676 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1(C[NH+](C)C)CC1 ZINC000602055929 344325438 /nfs/dbraw/zinc/32/54/38/344325438.db2.gz JMABGLFGYGMDDK-UHFFFAOYSA-N 1 0 291.351 1.895 20 5 CDBDRO O=C(NCC[NH2+]C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000602428460 344422216 /nfs/dbraw/zinc/42/22/16/344422216.db2.gz NVWHSHARCVQFQJ-UHFFFAOYSA-N 1 0 267.260 1.216 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602431147 344423668 /nfs/dbraw/zinc/42/36/68/344423668.db2.gz CFFGPVBWIBCTDC-VIFPVBQESA-N 1 0 283.303 1.981 20 5 CDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602599176 344503895 /nfs/dbraw/zinc/50/38/95/344503895.db2.gz FVOPHYSVFCVVCY-ONGXEEELSA-N 1 0 293.348 1.260 20 5 CDBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000602483711 344448123 /nfs/dbraw/zinc/44/81/23/344448123.db2.gz KLBGXSPFJOGUBL-CQSZACIVSA-N 1 0 293.298 1.560 20 5 CDBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000602529616 344455592 /nfs/dbraw/zinc/45/55/92/344455592.db2.gz QKFVJWFEHZYUJX-LLVKDONJSA-N 1 0 280.328 1.003 20 5 CDBDRO CO[C@@H](C[NH2+]CCc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000602557011 344467132 /nfs/dbraw/zinc/46/71/32/344467132.db2.gz IPUPOBIURXVXNC-ZFWWWQNUSA-N 1 0 294.351 1.778 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000602535482 344471065 /nfs/dbraw/zinc/47/10/65/344471065.db2.gz ODJLPUXGWNHHMF-UHFFFAOYSA-N 1 0 283.353 1.738 20 5 CDBDRO CC[C@](C)(C[NH2+]CCn1cc([N+](=O)[O-])cn1)OC ZINC000602566672 344483462 /nfs/dbraw/zinc/48/34/62/344483462.db2.gz AOLRXNIOGNTHRZ-LLVKDONJSA-N 1 0 256.306 1.196 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCO[C@H]2CCOC2)cc1 ZINC000602566390 344483470 /nfs/dbraw/zinc/48/34/70/344483470.db2.gz CNNRTECJRNYADM-HNNXBMFYSA-N 1 0 294.351 1.923 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000154649211 529981523 /nfs/dbraw/zinc/98/15/23/529981523.db2.gz CGCKJOTVLAMKHU-SECBINFHSA-N 1 0 299.758 1.762 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccoc1 ZINC000602764994 344572390 /nfs/dbraw/zinc/57/23/90/344572390.db2.gz SOJCOIOOJGPSHM-UHFFFAOYSA-N 1 0 264.285 1.825 20 5 CDBDRO CO[C@]1(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000602658093 344518848 /nfs/dbraw/zinc/51/88/48/344518848.db2.gz JBJCZHYCUKWRQO-HNNXBMFYSA-N 1 0 294.351 1.875 20 5 CDBDRO CCO[C@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1C ZINC000602684080 344530225 /nfs/dbraw/zinc/53/02/25/344530225.db2.gz FNBSWTOMOPDGOB-JQWIXIFHSA-N 1 0 282.344 1.575 20 5 CDBDRO COCC(C)(C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602772913 344576769 /nfs/dbraw/zinc/57/67/69/344576769.db2.gz NANWUBCQTQKZLP-UHFFFAOYSA-N 1 0 256.306 1.114 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C(C)C)C1CC1 ZINC000602763226 344583897 /nfs/dbraw/zinc/58/38/97/344583897.db2.gz OJPOSLHEZIFQRH-UHFFFAOYSA-N 1 0 252.318 1.973 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CSC[C@H]1C ZINC000602834420 344617632 /nfs/dbraw/zinc/61/76/32/344617632.db2.gz ZDLNSKCPOOETOP-SCZZXKLOSA-N 1 0 270.358 1.441 20 5 CDBDRO COC[C@@](C)(CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602933694 344663055 /nfs/dbraw/zinc/66/30/55/344663055.db2.gz XDWOFSTWCBGTKP-GFCCVEGCSA-N 1 0 288.731 1.735 20 5 CDBDRO [NH3+]CCSCc1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000603186953 344728260 /nfs/dbraw/zinc/72/82/60/344728260.db2.gz NHDGQFFIYVQYNL-UHFFFAOYSA-N 1 0 293.352 1.427 20 5 CDBDRO O=C(N[C@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000604431607 344890409 /nfs/dbraw/zinc/89/04/09/344890409.db2.gz BFSRFVNWDHSQTC-QMMMGPOBSA-N 1 0 281.337 1.623 20 5 CDBDRO COc1cc(C[NH2+]C[C@H](OC)C2CC2)c([N+](=O)[O-])cc1O ZINC000292928225 362518658 /nfs/dbraw/zinc/51/86/58/362518658.db2.gz GRBOJXZTDVILFZ-AWEZNQCLSA-N 1 0 296.323 1.824 20 5 CDBDRO COc1cc(C[NH2+]C[C@@H](OC)C2CC2)c([N+](=O)[O-])cc1O ZINC000292928229 362519550 /nfs/dbraw/zinc/51/95/50/362519550.db2.gz GRBOJXZTDVILFZ-CQSZACIVSA-N 1 0 296.323 1.824 20 5 CDBDRO C[C@]1(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000129312855 362575494 /nfs/dbraw/zinc/57/54/94/362575494.db2.gz MJUQCAUXNQQLMH-AWEZNQCLSA-N 1 0 292.339 1.495 20 5 CDBDRO [NH3+]CCC1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000159767049 345264382 /nfs/dbraw/zinc/26/43/82/345264382.db2.gz SFHWUOCVPJNMLY-UHFFFAOYSA-N 1 0 295.314 1.935 20 5 CDBDRO C[C@@H](O)CC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000072712801 345355299 /nfs/dbraw/zinc/35/52/99/345355299.db2.gz OXRGEBCPMXDMSP-LLVKDONJSA-N 1 0 295.339 1.626 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000033092965 345441172 /nfs/dbraw/zinc/44/11/72/345441172.db2.gz HVWGBRCWNJVECL-SNVBAGLBSA-N 1 0 265.313 1.583 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000221456354 346366512 /nfs/dbraw/zinc/36/65/12/346366512.db2.gz JMTNPTIFASJPBB-SMDDNHRTSA-N 1 0 289.335 1.727 20 5 CDBDRO CC(C)(C)[C@@H](CN)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000420354956 535041316 /nfs/dbraw/zinc/04/13/16/535041316.db2.gz DRROPLAFWWCILZ-CYBMUJFWSA-N 1 0 281.356 1.937 20 5 CDBDRO CN1CCC([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000038079435 346377534 /nfs/dbraw/zinc/37/75/34/346377534.db2.gz ILDHTJGEQVRCJQ-UHFFFAOYSA-N 1 0 279.340 1.657 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(c2c([N+](=O)[O-])ncn2C)C[C@@H]1C ZINC000611222065 346696549 /nfs/dbraw/zinc/69/65/49/346696549.db2.gz SPGUALKHMHUFKA-VHSXEESVSA-N 1 0 267.333 1.247 20 5 CDBDRO C[NH+](C)C[C@](C)(O)CNc1sccc1[N+](=O)[O-] ZINC000611414772 346781616 /nfs/dbraw/zinc/78/16/16/346781616.db2.gz XYRQRFVPXYXVOQ-SNVBAGLBSA-N 1 0 259.331 1.381 20 5 CDBDRO C[C@H](CCCO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000094943600 347799860 /nfs/dbraw/zinc/79/98/60/347799860.db2.gz XTYZNKFMBQQSCC-LLVKDONJSA-N 1 0 252.314 1.888 20 5 CDBDRO C[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000086467313 179296947 /nfs/dbraw/zinc/29/69/47/179296947.db2.gz BJDSNBBMQMHUGV-BRQSLIGTSA-N 1 0 289.335 1.817 20 5 CDBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])s2)CC[N@@H+]1CC(C)(C)O ZINC000614832329 348244163 /nfs/dbraw/zinc/24/41/63/348244163.db2.gz QWGGCFWJVYMECP-JTQLQIEISA-N 1 0 299.396 1.938 20 5 CDBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000056240463 348814838 /nfs/dbraw/zinc/81/48/38/348814838.db2.gz HMIOTLKDPACFRN-WDEREUQCSA-N 1 0 294.355 1.773 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000089107087 179703303 /nfs/dbraw/zinc/70/33/03/179703303.db2.gz HUOMLEQXIFGXBD-DTWKUNHWSA-N 1 0 267.285 1.435 20 5 CDBDRO CC(C)[N@H+](C)CCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000063782463 348932588 /nfs/dbraw/zinc/93/25/88/348932588.db2.gz WSWMHZZQBUOSPM-UHFFFAOYSA-N 1 0 297.359 1.028 20 5 CDBDRO COCCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000066380203 348982992 /nfs/dbraw/zinc/98/29/92/348982992.db2.gz FEPOQQITQTVJRP-LLVKDONJSA-N 1 0 295.339 1.890 20 5 CDBDRO COC[C@@](C)(O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000069911837 349110778 /nfs/dbraw/zinc/11/07/78/349110778.db2.gz GBQNDGRIIXBTTQ-DYLGSBMWSA-N 1 0 280.324 1.595 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(CN3C[C@H]4C[NH2+]C[C@H]4C3)nc2c1 ZINC000618275870 349424173 /nfs/dbraw/zinc/42/41/73/349424173.db2.gz DTCPOTZWUCXGQF-AOOOYVTPSA-N 1 0 287.323 1.122 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(CN3C[C@@H]4C[NH2+]C[C@H]4C3)nc2c1 ZINC000618275872 349424458 /nfs/dbraw/zinc/42/44/58/349424458.db2.gz DTCPOTZWUCXGQF-UWVGGRQHSA-N 1 0 287.323 1.122 20 5 CDBDRO Cc1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000161389577 362948677 /nfs/dbraw/zinc/94/86/77/362948677.db2.gz RRNLPTUESBXZOC-RYUDHWBXSA-N 1 0 277.324 1.903 20 5 CDBDRO CSC1(C[NH2+]CCn2cc([N+](=O)[O-])cn2)CCC1 ZINC000290962351 197872153 /nfs/dbraw/zinc/87/21/53/197872153.db2.gz WLIOVOFMIOAJRM-UHFFFAOYSA-N 1 0 270.358 1.667 20 5 CDBDRO COC[C@H](CCO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515669950 362957280 /nfs/dbraw/zinc/95/72/80/362957280.db2.gz FSSJOAGDGMBUHS-GWCFXTLKSA-N 1 0 280.324 1.569 20 5 CDBDRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000110646811 186308593 /nfs/dbraw/zinc/30/85/93/186308593.db2.gz UTLGDAWCOPGVSQ-VIFPVBQESA-N 1 0 280.328 1.133 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCC[C@@H]1CCC[NH2+]C1 ZINC000110791977 186324657 /nfs/dbraw/zinc/32/46/57/186324657.db2.gz UVCJCIQYONCFSQ-LBPRGKRZSA-N 1 0 291.351 1.643 20 5 CDBDRO CC[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000341027557 365993353 /nfs/dbraw/zinc/99/33/53/365993353.db2.gz LQGWTVZCKBKACN-ZANVPECISA-N 1 0 268.288 1.937 20 5 CDBDRO CC(C)NC(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000036781488 363012672 /nfs/dbraw/zinc/01/26/72/363012672.db2.gz UUUBXAIRPAOKFT-SNVBAGLBSA-N 1 0 265.313 1.770 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000156444514 351492287 /nfs/dbraw/zinc/49/22/87/351492287.db2.gz VYLGLXODFPUFQK-SKDRFNHKSA-N 1 0 294.311 1.175 20 5 CDBDRO C[C@@H](NC(=O)NC[C@H](C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000454353617 252344189 /nfs/dbraw/zinc/34/41/89/252344189.db2.gz CFCMSAIXVXHZGT-WDEREUQCSA-N 1 0 294.355 1.905 20 5 CDBDRO CC[NH+](CC)CCCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000516376028 363093774 /nfs/dbraw/zinc/09/37/74/363093774.db2.gz PGZKMQDHHMKXFA-UHFFFAOYSA-N 1 0 282.344 1.395 20 5 CDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000122121898 187015821 /nfs/dbraw/zinc/01/58/21/187015821.db2.gz BMTNSOMPTWATRI-ZDUSSCGKSA-N 1 0 265.313 1.698 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000122523505 187036557 /nfs/dbraw/zinc/03/65/57/187036557.db2.gz QFQAHFGCVXJSHE-UHFFFAOYSA-N 1 0 254.290 1.170 20 5 CDBDRO COc1ccc(NC(=O)[C@@H]2CC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000136478143 363112212 /nfs/dbraw/zinc/11/22/12/363112212.db2.gz XKVOPOZDGMJBSH-PSASIEDQSA-N 1 0 279.296 1.540 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2COCC[NH2+]2)c2ccncc21 ZINC000236421789 363171331 /nfs/dbraw/zinc/17/13/31/363171331.db2.gz OJECVEZUHUSHKB-SNVBAGLBSA-N 1 0 288.307 1.543 20 5 CDBDRO [NH3+]CC1(NC(=O)Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000135230377 187809275 /nfs/dbraw/zinc/80/92/75/187809275.db2.gz GOWIDPSGOJTJIR-UHFFFAOYSA-N 1 0 277.324 1.525 20 5 CDBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000292260968 198221973 /nfs/dbraw/zinc/22/19/73/198221973.db2.gz YNMDCMWJRABHRC-CYBMUJFWSA-N 1 0 280.324 1.475 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000156736803 188278885 /nfs/dbraw/zinc/27/88/85/188278885.db2.gz XVTGDRJDJVLAQU-VHSXEESVSA-N 1 0 265.313 1.237 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000295186927 199394439 /nfs/dbraw/zinc/39/44/39/199394439.db2.gz IIQOMTVQBSUWSH-LLVKDONJSA-N 1 0 294.355 1.640 20 5 CDBDRO C[NH2+]CC1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000063159445 363236931 /nfs/dbraw/zinc/23/69/31/363236931.db2.gz PVIMNUMMPMCRRR-UHFFFAOYSA-N 1 0 291.351 1.975 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000516917556 363256249 /nfs/dbraw/zinc/25/62/49/363256249.db2.gz POASUOJJFHPEHT-QWRGUYRKSA-N 1 0 279.344 1.154 20 5 CDBDRO Nc1c(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cccc1[N+](=O)[O-] ZINC000365244564 363299892 /nfs/dbraw/zinc/29/98/92/363299892.db2.gz JUMHJYTZYCSWPH-ONGXEEELSA-N 1 0 290.323 1.001 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000411981068 363392202 /nfs/dbraw/zinc/39/22/02/363392202.db2.gz IJAYEVSXNFKMCA-OLZOCXBDSA-N 1 0 280.324 1.472 20 5 CDBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000332715709 356061912 /nfs/dbraw/zinc/06/19/12/356061912.db2.gz PXABQXXSFYCKDK-NSHDSACASA-N 1 0 281.360 1.102 20 5 CDBDRO C[C@@H]([NH3+])CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000336787959 356261577 /nfs/dbraw/zinc/26/15/77/356261577.db2.gz NMKGMEQJUCJGEO-ZCFIWIBFSA-N 1 0 267.314 1.749 20 5 CDBDRO CCC[C@H]([NH3+])c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000229926546 356313260 /nfs/dbraw/zinc/31/32/60/356313260.db2.gz FTVIKZNZNGXWPT-NSHDSACASA-N 1 0 261.285 1.975 20 5 CDBDRO C[C@@H](Cn1ccnc1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000336849402 356386047 /nfs/dbraw/zinc/38/60/47/356386047.db2.gz RKPIDTDNDJWXJR-VIFPVBQESA-N 1 0 292.270 1.749 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000134654576 356370765 /nfs/dbraw/zinc/37/07/65/356370765.db2.gz BBIBIGNMZZGDAO-SECBINFHSA-N 1 0 297.742 1.930 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000037766494 356530378 /nfs/dbraw/zinc/53/03/78/356530378.db2.gz UONZUQCMNNUBHP-ZYHUDNBSSA-N 1 0 277.324 1.772 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000163532125 356811597 /nfs/dbraw/zinc/81/15/97/356811597.db2.gz RCRAJSCGPCGJLB-NWDGAFQWSA-N 1 0 291.351 1.960 20 5 CDBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1F)N1CC[NH+](C)CC1 ZINC000572848203 356967910 /nfs/dbraw/zinc/96/79/10/356967910.db2.gz YMXHPPMWUHJGGI-JTQLQIEISA-N 1 0 297.334 1.177 20 5 CDBDRO COc1cccc(N[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000135052636 357241122 /nfs/dbraw/zinc/24/11/22/357241122.db2.gz GMLRWJLYBMFKFC-SECBINFHSA-N 1 0 251.286 1.767 20 5 CDBDRO CC[C@@H](O)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000135046500 357252080 /nfs/dbraw/zinc/25/20/80/357252080.db2.gz DZHHEOUDCGIOKT-CYBMUJFWSA-N 1 0 252.314 1.888 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCOCCO)C1CC1 ZINC000159097943 357268536 /nfs/dbraw/zinc/26/85/36/357268536.db2.gz DKJXQXWCEITWBA-CQSZACIVSA-N 1 0 294.351 1.514 20 5 CDBDRO COc1ccc(C[NH2+][C@@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000120208431 357326107 /nfs/dbraw/zinc/32/61/07/357326107.db2.gz KVERULIPBIDQAC-ZDUSSCGKSA-N 1 0 266.297 1.872 20 5 CDBDRO CN(C[C@@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000566118377 357396940 /nfs/dbraw/zinc/39/69/40/357396940.db2.gz UZTPPNVCBMEJDE-AWEZNQCLSA-N 1 0 293.367 1.182 20 5 CDBDRO CSC[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000188217815 357861205 /nfs/dbraw/zinc/86/12/05/357861205.db2.gz AEJMJBCGNPJMSR-CABZTGNLSA-N 1 0 270.354 1.969 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c1 ZINC000188827839 357942699 /nfs/dbraw/zinc/94/26/99/357942699.db2.gz FMFLDFAAIAFBFS-DGCLKSJQSA-N 1 0 250.298 1.845 20 5 CDBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCC1 ZINC000361480637 358229978 /nfs/dbraw/zinc/22/99/78/358229978.db2.gz DHCYIZKKRLYRQW-ZDUSSCGKSA-N 1 0 282.344 1.274 20 5 CDBDRO C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294780985 199179125 /nfs/dbraw/zinc/17/91/25/199179125.db2.gz NVDYXMFIOVEEMH-ZANVPECISA-N 1 0 297.380 1.696 20 5 CDBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000193580966 358305423 /nfs/dbraw/zinc/30/54/23/358305423.db2.gz WEIVIIZUAMWZGY-ZWNOBZJWSA-N 1 0 293.323 1.088 20 5 CDBDRO Cc1cccc(N[C@H](C)CN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000302510916 358355375 /nfs/dbraw/zinc/35/53/75/358355375.db2.gz SMBNLKLUXLGYAI-CYBMUJFWSA-N 1 0 292.383 1.951 20 5 CDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567576082 358702649 /nfs/dbraw/zinc/70/26/49/358702649.db2.gz UTCQEHFLJQRUEM-NWDGAFQWSA-N 1 0 293.323 1.282 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000236891985 358754944 /nfs/dbraw/zinc/75/49/44/358754944.db2.gz IJVOSLVZPJQJDB-LLVKDONJSA-N 1 0 295.339 1.607 20 5 CDBDRO NC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000541801978 358784446 /nfs/dbraw/zinc/78/44/46/358784446.db2.gz RBLYHXUXQIRFCC-HNNXBMFYSA-N 1 0 299.330 1.781 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262496752 358841594 /nfs/dbraw/zinc/84/15/94/358841594.db2.gz WTNXCLPNUJCWNA-MRVPVSSYSA-N 1 0 285.731 1.976 20 5 CDBDRO C[C@H](O)C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000291250955 358901872 /nfs/dbraw/zinc/90/18/72/358901872.db2.gz NWINCQYCDWXZEZ-QMMMGPOBSA-N 1 0 265.269 1.549 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000342412259 359047388 /nfs/dbraw/zinc/04/73/88/359047388.db2.gz DIHVEOHQOWVNDX-ZYHUDNBSSA-N 1 0 298.364 1.426 20 5 CDBDRO Cc1nc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000450787066 359003961 /nfs/dbraw/zinc/00/39/61/359003961.db2.gz BJLOAMGGGLWVJF-PHIMTYICSA-N 1 0 294.355 1.190 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569825879 359265132 /nfs/dbraw/zinc/26/51/32/359265132.db2.gz XLZMBIDYTQWOTB-MBNYWOFBSA-N 1 0 278.308 1.586 20 5 CDBDRO CC(C)C[C@@H]([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015947 359275743 /nfs/dbraw/zinc/27/57/43/359275743.db2.gz ILIACEHECNEWQG-LLVKDONJSA-N 1 0 265.313 1.584 20 5 CDBDRO COC[C@@]1(C)CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296837939 200011439 /nfs/dbraw/zinc/01/14/39/200011439.db2.gz SOECYUQTLYMMEH-CABCVRRESA-N 1 0 294.351 1.987 20 5 CDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000050162885 359600615 /nfs/dbraw/zinc/60/06/15/359600615.db2.gz KKTYRDXSGMNGGZ-PWSUYJOCSA-N 1 0 277.324 1.713 20 5 CDBDRO CC[N@H+](C)C[C@@H](O)COc1cc(C)c([N+](=O)[O-])cc1F ZINC000383755616 359611365 /nfs/dbraw/zinc/61/13/65/359611365.db2.gz NKLAXOVLBZIEQP-SNVBAGLBSA-N 1 0 286.303 1.734 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000571921755 359676336 /nfs/dbraw/zinc/67/63/36/359676336.db2.gz BSIYPCOZIMCFHJ-QWRGUYRKSA-N 1 0 279.340 1.769 20 5 CDBDRO CSc1cccc(C(=O)N2CC([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000362422128 359800106 /nfs/dbraw/zinc/80/01/06/359800106.db2.gz JPLNUXPDHXGDLF-UHFFFAOYSA-N 1 0 295.364 1.703 20 5 CDBDRO Cc1nc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000297629613 200246592 /nfs/dbraw/zinc/24/65/92/200246592.db2.gz WYQFUGTYZYKTRQ-LDYMZIIASA-N 1 0 265.317 1.080 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000062114354 359956929 /nfs/dbraw/zinc/95/69/29/359956929.db2.gz WXWLXDVHGAXHRS-MWLCHTKSSA-N 1 0 263.297 1.382 20 5 CDBDRO O=[N+]([O-])c1nn(C[C@@H]2CC[NH2+]C2)cc1Br ZINC000051890505 359980258 /nfs/dbraw/zinc/98/02/58/359980258.db2.gz LBJQTDHNIYNRKN-ZCFIWIBFSA-N 1 0 275.106 1.163 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000054264013 360066640 /nfs/dbraw/zinc/06/66/40/360066640.db2.gz WBCAQJIELMUHBW-UHFFFAOYSA-N 1 0 265.313 1.633 20 5 CDBDRO CC(C)OCC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000169331689 360322121 /nfs/dbraw/zinc/32/21/21/360322121.db2.gz SGJBWWVOKGQHNY-LBPRGKRZSA-N 1 0 298.339 1.349 20 5 CDBDRO CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCS1 ZINC000177508022 189054794 /nfs/dbraw/zinc/05/47/94/189054794.db2.gz HLSUJSQZUKKSEM-UHFFFAOYSA-N 1 0 270.358 1.619 20 5 CDBDRO [NH3+]CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178346706 189109362 /nfs/dbraw/zinc/10/93/62/189109362.db2.gz SRANHFOAMFXPDX-UHFFFAOYSA-N 1 0 279.321 1.888 20 5 CDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]1 ZINC000178758348 189143420 /nfs/dbraw/zinc/14/34/20/189143420.db2.gz VCHJSUBMCYBSQT-NSHDSACASA-N 1 0 293.323 1.232 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000575114055 360804831 /nfs/dbraw/zinc/80/48/31/360804831.db2.gz IKHLOJFMDDFHBL-HUBLWGQQSA-N 1 0 294.351 1.639 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)C[NH3+] ZINC000179186671 189175824 /nfs/dbraw/zinc/17/58/24/189175824.db2.gz GXAQCVKWUPGRGW-VIFPVBQESA-N 1 0 251.286 1.322 20 5 CDBDRO Cc1cc(C(=O)N(C)[C@@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000179195294 189176364 /nfs/dbraw/zinc/17/63/64/189176364.db2.gz HTKYSSJVMXUROB-VIFPVBQESA-N 1 0 251.286 1.322 20 5 CDBDRO Cc1c(NC(=O)NCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000180604897 189265328 /nfs/dbraw/zinc/26/53/28/189265328.db2.gz BFGMOHMWBFTOKW-UHFFFAOYSA-N 1 0 266.301 1.586 20 5 CDBDRO C[C@@H](Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000381752284 361274523 /nfs/dbraw/zinc/27/45/23/361274523.db2.gz NQILJZYNTZDGFN-JGVFFNPUSA-N 1 0 287.341 1.146 20 5 CDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cn1 ZINC000301509254 201036328 /nfs/dbraw/zinc/03/63/28/201036328.db2.gz AVPVWFBOUPCEIW-JQWIXIFHSA-N 1 0 264.329 1.766 20 5 CDBDRO Cc1cnc(N(C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000302042662 201315971 /nfs/dbraw/zinc/31/59/71/201315971.db2.gz WZVVVFLRBNTWEB-UHFFFAOYSA-N 1 0 252.318 1.686 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000302169557 201378756 /nfs/dbraw/zinc/37/87/56/201378756.db2.gz TXFQJSJHKKUGSL-VHSXEESVSA-N 1 0 265.317 1.670 20 5 CDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000581924841 364057798 /nfs/dbraw/zinc/05/77/98/364057798.db2.gz NTOXZWAZEAMLJQ-JTQLQIEISA-N 1 0 293.323 1.372 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000237181624 364189704 /nfs/dbraw/zinc/18/97/04/364189704.db2.gz HSDKLMMOYJQCHD-SNVBAGLBSA-N 1 0 279.340 1.802 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCC(=O)NC ZINC000175168032 364633002 /nfs/dbraw/zinc/63/30/02/364633002.db2.gz JXDXWJCLVIPQKU-UHFFFAOYSA-N 1 0 295.339 1.561 20 5 CDBDRO C[C@H]([NH3+])C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000104134118 364798725 /nfs/dbraw/zinc/79/87/25/364798725.db2.gz AFZNHANUWBPKIN-QMMMGPOBSA-N 1 0 266.301 1.122 20 5 CDBDRO C[NH2+]C[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000092027672 364778742 /nfs/dbraw/zinc/77/87/42/364778742.db2.gz BAFRHYNGSYTJJC-SNVBAGLBSA-N 1 0 250.302 1.344 20 5 CDBDRO Cc1nn(C)c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000107830646 364887429 /nfs/dbraw/zinc/88/74/29/364887429.db2.gz ARGUKYFTKHOYME-WDEREUQCSA-N 1 0 279.344 1.675 20 5 CDBDRO COc1cccc(C(=O)NC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000412392919 240191356 /nfs/dbraw/zinc/19/13/56/240191356.db2.gz GOBPSLSCKRFFIO-VIFPVBQESA-N 1 0 281.312 1.283 20 5 CDBDRO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000414484267 241224832 /nfs/dbraw/zinc/22/48/32/241224832.db2.gz GIWXCZSNVAODSP-STQMWFEESA-N 1 0 280.324 1.485 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000414664626 241309499 /nfs/dbraw/zinc/30/94/99/241309499.db2.gz TWOLJJQGPKBKQI-NSHDSACASA-N 1 0 292.339 1.976 20 5 CDBDRO [NH3+]C[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000414814059 241398945 /nfs/dbraw/zinc/39/89/45/241398945.db2.gz YXJVWHGZDSOVGH-DXTPNHAXSA-N 1 0 261.325 1.935 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090321773 367031159 /nfs/dbraw/zinc/03/11/59/367031159.db2.gz WEAYRIUCXJWNRJ-AOOOYVTPSA-N 1 0 276.296 1.278 20 5 CDBDRO Cc1cc(N2CC[NH+](C[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000275004810 367032020 /nfs/dbraw/zinc/03/20/20/367032020.db2.gz HKKAIXCBESUHSE-LBPRGKRZSA-N 1 0 279.340 1.406 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000094340487 367159322 /nfs/dbraw/zinc/15/93/22/367159322.db2.gz IQHNXCQMPIJUAW-PWSUYJOCSA-N 1 0 277.324 1.713 20 5 CDBDRO C[NH2+]CCN(C)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000415443067 241683925 /nfs/dbraw/zinc/68/39/25/241683925.db2.gz QNFMMJJDPDSWKZ-UHFFFAOYSA-N 1 0 282.300 1.287 20 5 CDBDRO Cc1occc1C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090519210 367568427 /nfs/dbraw/zinc/56/84/27/367568427.db2.gz FSOIJZHIBGITLZ-UHFFFAOYSA-N 1 0 291.307 1.790 20 5 CDBDRO C[C@H](NC(=O)NC[C@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000417145708 242336878 /nfs/dbraw/zinc/33/68/78/242336878.db2.gz XHPSUQGQUWAYLE-ZANVPECISA-N 1 0 292.339 1.692 20 5 CDBDRO C[NH+]1CCC(C)(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000272495028 367743012 /nfs/dbraw/zinc/74/30/12/367743012.db2.gz CWNCOGYYZNVEQG-UHFFFAOYSA-N 1 0 280.328 1.385 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000089107088 368976538 /nfs/dbraw/zinc/97/65/38/368976538.db2.gz HUOMLEQXIFGXBD-IUCAKERBSA-N 1 0 267.285 1.435 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420633506 244299036 /nfs/dbraw/zinc/29/90/36/244299036.db2.gz JIFJOUNSSBGTIM-JTQLQIEISA-N 1 0 292.339 1.224 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCSC[C@@H]2CO)cc1 ZINC000330812456 203265347 /nfs/dbraw/zinc/26/53/47/203265347.db2.gz CCPCNEJVMKJQFZ-ZDUSSCGKSA-N 1 0 282.365 1.547 20 5 CDBDRO NC(=O)CC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000421354975 244661466 /nfs/dbraw/zinc/66/14/66/244661466.db2.gz YDUUNBRYJACOMS-UHFFFAOYSA-N 1 0 263.297 1.340 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000295227641 369718714 /nfs/dbraw/zinc/71/87/14/369718714.db2.gz NMCNXWQVXJBTIX-MRVPVSSYSA-N 1 0 296.283 1.360 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000295226560 369718845 /nfs/dbraw/zinc/71/88/45/369718845.db2.gz NHKXKURPSKTKDK-SECBINFHSA-N 1 0 283.353 1.540 20 5 CDBDRO CCS(=O)(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668555 369785361 /nfs/dbraw/zinc/78/53/61/369785361.db2.gz ARBPUHVQBOJUHW-UHFFFAOYSA-N 1 0 272.326 1.119 20 5 CDBDRO [NH3+]CCCCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000037714419 369983305 /nfs/dbraw/zinc/98/33/05/369983305.db2.gz CFWLRHSFBSEXIP-UHFFFAOYSA-N 1 0 255.249 1.203 20 5 CDBDRO C[C@@H]([NH2+]CCC(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000037751832 370055959 /nfs/dbraw/zinc/05/59/59/370055959.db2.gz YUCBBFSMQLEATO-SNVBAGLBSA-N 1 0 265.313 1.724 20 5 CDBDRO CC[C@@H](CO)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000295693995 370571572 /nfs/dbraw/zinc/57/15/72/370571572.db2.gz LXUNHFMTIFFBHZ-NSHDSACASA-N 1 0 268.313 1.676 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC([NH3+])CC1 ZINC000422683590 245154846 /nfs/dbraw/zinc/15/48/46/245154846.db2.gz CYBYRJUPOIDKGV-UHFFFAOYSA-N 1 0 277.324 1.775 20 5 CDBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000269635523 373249405 /nfs/dbraw/zinc/24/94/05/373249405.db2.gz HGUFBRHZDGWUIY-BXUZGUMPSA-N 1 0 280.324 1.597 20 5 CDBDRO [NH3+]C1(CO)CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000301287924 373482340 /nfs/dbraw/zinc/48/23/40/373482340.db2.gz OYNVBKIDGYZKFG-UHFFFAOYSA-N 1 0 269.276 1.024 20 5 CDBDRO Cc1c(NC(=O)NC[C@@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000298401738 373518181 /nfs/dbraw/zinc/51/81/81/373518181.db2.gz RKVLROBFESUSSO-SECBINFHSA-N 1 0 280.328 1.975 20 5 CDBDRO CC[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272951090 373603914 /nfs/dbraw/zinc/60/39/14/373603914.db2.gz PYHRNCBBXOLKMT-JTQLQIEISA-N 1 0 286.353 1.757 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091135054 373747902 /nfs/dbraw/zinc/74/79/02/373747902.db2.gz MEHHQTDBVWJZIH-SNVBAGLBSA-N 1 0 295.364 1.937 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[NH2+]C ZINC000415764963 373845396 /nfs/dbraw/zinc/84/53/96/373845396.db2.gz QDGUUAOHCPLYQH-UHFFFAOYSA-N 1 0 280.328 1.888 20 5 CDBDRO CCc1nn(C)c(N[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000091562317 374040467 /nfs/dbraw/zinc/04/04/67/374040467.db2.gz KWMIDWPEXQUDCP-SECBINFHSA-N 1 0 279.344 1.539 20 5 CDBDRO CCOC(=O)c1cc(N2CC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420156892 374289228 /nfs/dbraw/zinc/28/92/28/374289228.db2.gz AORZQVWZASLKIX-VIFPVBQESA-N 1 0 279.296 1.309 20 5 CDBDRO CN(CC(=O)NC(C)(C)CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000424044869 374400596 /nfs/dbraw/zinc/40/05/96/374400596.db2.gz GBWGBVYLIFJVHK-UHFFFAOYSA-N 1 0 294.355 1.275 20 5 CDBDRO COc1ccc(CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000079796364 374426502 /nfs/dbraw/zinc/42/65/02/374426502.db2.gz MHCIITVQWFEPPD-UHFFFAOYSA-N 1 0 265.313 1.351 20 5 CDBDRO Cc1c(CC(=O)NC(C)(C)CC[NH3+])cccc1[N+](=O)[O-] ZINC000424049524 246307345 /nfs/dbraw/zinc/30/73/45/246307345.db2.gz WGGOQPGKMSPLBI-UHFFFAOYSA-N 1 0 279.340 1.689 20 5 CDBDRO COc1ccc(C[N@H+](C)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000429264581 374577209 /nfs/dbraw/zinc/57/72/09/374577209.db2.gz CPRPVEOLFXRBKI-UHFFFAOYSA-N 1 0 280.324 1.950 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424188937 246377217 /nfs/dbraw/zinc/37/72/17/246377217.db2.gz MILWYQJRDXACGZ-GFCCVEGCSA-N 1 0 291.351 1.861 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000070145539 374650219 /nfs/dbraw/zinc/65/02/19/374650219.db2.gz AZBWVGZISDHVFE-KOLCDFICSA-N 1 0 263.297 1.404 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000070172562 374654055 /nfs/dbraw/zinc/65/40/55/374654055.db2.gz VIOAPSPGLWZCBC-BDAKNGLRSA-N 1 0 266.301 1.122 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000070447257 374662091 /nfs/dbraw/zinc/66/20/91/374662091.db2.gz MZJBVXRROGJAGK-JTQLQIEISA-N 1 0 285.731 1.961 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000070447279 374662166 /nfs/dbraw/zinc/66/21/66/374662166.db2.gz FPGMXXZUMBDBRS-NSHDSACASA-N 1 0 266.301 1.700 20 5 CDBDRO CC(C)[C@H](CCO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000274638254 374677626 /nfs/dbraw/zinc/67/76/26/374677626.db2.gz YIHIEARDUBDYIY-UONOGXRCSA-N 1 0 282.340 1.625 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)[C@@H]2CCCO2)cs1 ZINC000447919666 374723350 /nfs/dbraw/zinc/72/33/50/374723350.db2.gz FLCUOOQPQLXXLE-ZJUUUORDSA-N 1 0 272.326 1.286 20 5 CDBDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@@H](C)O ZINC000449532959 374817790 /nfs/dbraw/zinc/81/77/90/374817790.db2.gz AUOSSXQWHGQCTK-MWLCHTKSSA-N 1 0 298.339 1.861 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000277203611 374778702 /nfs/dbraw/zinc/77/87/02/374778702.db2.gz PWGAYGAGLLBOED-SNVBAGLBSA-N 1 0 265.317 1.305 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCCN1CC[NH+](C(C)C)CC1 ZINC000331338424 374934550 /nfs/dbraw/zinc/93/45/50/374934550.db2.gz JLOUPIDGPHDBCU-UHFFFAOYSA-N 1 0 295.387 1.516 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351754327 375327140 /nfs/dbraw/zinc/32/71/40/375327140.db2.gz IYBIOVLIWMKDDY-ZJUUUORDSA-N 1 0 293.323 1.413 20 5 CDBDRO CN(C(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000132182858 375407943 /nfs/dbraw/zinc/40/79/43/375407943.db2.gz LEBJDAZCSNDKHW-NSHDSACASA-N 1 0 295.314 1.900 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)C[NH+](C)C ZINC000293894468 375410566 /nfs/dbraw/zinc/41/05/66/375410566.db2.gz QTVLMRCSYPYVMU-SNVBAGLBSA-N 1 0 279.340 1.831 20 5 CDBDRO COc1ccc(-c2ccc(C[NH2+]CCO)o2)c([N+](=O)[O-])c1 ZINC000304237213 375418672 /nfs/dbraw/zinc/41/86/72/375418672.db2.gz QJPXGUAKJUMKFP-UHFFFAOYSA-N 1 0 292.291 1.945 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C1CC(O)C1 ZINC000353498213 375619692 /nfs/dbraw/zinc/61/96/92/375619692.db2.gz UIQCILYRWFFGKU-UHFFFAOYSA-N 1 0 293.323 1.297 20 5 CDBDRO C[C@H](O)CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000227724010 375598836 /nfs/dbraw/zinc/59/88/36/375598836.db2.gz ZOKKFWANZQUHJJ-NSHDSACASA-N 1 0 252.314 1.888 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H]3CCC[C@H]32)n1 ZINC000426459511 247026975 /nfs/dbraw/zinc/02/69/75/247026975.db2.gz KXUIIPFCDLOKGM-GHMZBOCLSA-N 1 0 250.302 1.666 20 5 CDBDRO C[C@@H](CC(N)=O)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000344888936 375649343 /nfs/dbraw/zinc/64/93/43/375649343.db2.gz OJPOXGDEEISQGX-OAQKJQOQSA-N 1 0 263.297 1.462 20 5 CDBDRO C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])cn2)CCC[N@@H+]1C ZINC000354558233 375725970 /nfs/dbraw/zinc/72/59/70/375725970.db2.gz ASFWUQQBEMYNRY-SCZZXKLOSA-N 1 0 251.290 1.279 20 5 CDBDRO C[NH+](C)[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])C1CC1 ZINC000354426235 375707718 /nfs/dbraw/zinc/70/77/18/375707718.db2.gz UGACEXXPJHVYLJ-GFCCVEGCSA-N 1 0 292.339 1.247 20 5 CDBDRO CC[C@@](C)(NCc1ccc(Cl)cc1[N+](=O)[O-])C(N)=O ZINC000133183652 375716315 /nfs/dbraw/zinc/71/63/15/375716315.db2.gz QNHBSXZAPGCQIW-GFCCVEGCSA-N 1 0 285.731 1.992 20 5 CDBDRO COc1c(C(=O)NC[C@@H]2CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000354781890 375750666 /nfs/dbraw/zinc/75/06/66/375750666.db2.gz HQVTVAQVCLOXGB-JTQLQIEISA-N 1 0 293.323 1.285 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCCN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428041001 247233584 /nfs/dbraw/zinc/23/35/84/247233584.db2.gz YWUVKZQLHLUMKR-QWHCGFSZSA-N 1 0 291.351 1.657 20 5 CDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000357075144 375881256 /nfs/dbraw/zinc/88/12/56/375881256.db2.gz VIXIHUIUWQKDOO-CHWSQXEVSA-N 1 0 293.367 1.998 20 5 CDBDRO [NH3+]CC[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(F)F ZINC000383463525 375890972 /nfs/dbraw/zinc/89/09/72/375890972.db2.gz KFVQWWQIWJDOLM-UUSYTGMJSA-N 1 0 299.277 1.707 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C[NH2+]CC[C@@H]21 ZINC001580715148 1172521036 /nfs/dbraw/zinc/52/10/36/1172521036.db2.gz LBWKZFARDMLLRX-XQQFMLRXSA-N 1 0 275.308 1.067 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@]2(CCO)CCOC2)c1 ZINC000278550402 194039138 /nfs/dbraw/zinc/03/91/38/194039138.db2.gz ZBONXJVQZSEVAY-CYBMUJFWSA-N 1 0 266.297 1.226 20 5 CDBDRO CCCN(CC[NH+](C)C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000444961475 250201126 /nfs/dbraw/zinc/20/11/26/250201126.db2.gz RYBZJZPDRSCVHS-UHFFFAOYSA-N 1 0 296.327 1.109 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCN2CCC2)n1 ZINC000447585537 250389622 /nfs/dbraw/zinc/38/96/22/250389622.db2.gz JQHSKELOALDQFM-CHWSQXEVSA-N 1 0 293.371 1.570 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCN(C=O)CC1 ZINC000278889913 194198156 /nfs/dbraw/zinc/19/81/56/194198156.db2.gz YMLHMTBTFILVNY-UHFFFAOYSA-N 1 0 293.323 1.314 20 5 CDBDRO CC1(C)[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@@H]2CCCO[C@H]21 ZINC000245825102 379341539 /nfs/dbraw/zinc/34/15/39/379341539.db2.gz ARVUNWRYQDDPFM-YNEHKIRRSA-N 1 0 294.355 1.585 20 5 CDBDRO COC(=O)C1(NCCn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000174856406 379592733 /nfs/dbraw/zinc/59/27/33/379592733.db2.gz UPWNHKFNXKVJDX-UHFFFAOYSA-N 1 0 296.327 1.257 20 5 CDBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000188121843 284895908 /nfs/dbraw/zinc/89/59/08/284895908.db2.gz SZDCKENFONTNAT-UHFFFAOYSA-N 1 0 295.343 1.266 20 5 CDBDRO Cc1nc(N(C)CC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000450314747 251220183 /nfs/dbraw/zinc/22/01/83/251220183.db2.gz NIWHEAMTVGDXFI-UHFFFAOYSA-N 1 0 265.317 1.225 20 5 CDBDRO C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000452572892 252099354 /nfs/dbraw/zinc/09/93/54/252099354.db2.gz LBWNESAKAWZVMN-MJVIPROJSA-N 1 0 291.351 1.970 20 5 CDBDRO COc1ccc(CNC(=O)/C=C\C[NH+](C)C)cc1[N+](=O)[O-] ZINC000491903748 253116862 /nfs/dbraw/zinc/11/68/62/253116862.db2.gz IAMXQPWPUIZXIM-PLNGDYQASA-N 1 0 293.323 1.337 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261780814 285095732 /nfs/dbraw/zinc/09/57/32/285095732.db2.gz WVXCZSTVOOFWND-GFCCVEGCSA-N 1 0 294.330 1.218 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC([NH2+]C3CC3)CC2)nc1 ZINC000273999601 285172357 /nfs/dbraw/zinc/17/23/57/285172357.db2.gz SVUQXMFQQVIJAB-UHFFFAOYSA-N 1 0 263.301 1.106 20 5 CDBDRO CCC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000451442314 390620233 /nfs/dbraw/zinc/62/02/33/390620233.db2.gz VJXCRFJCQSKWOM-CHWSQXEVSA-N 1 0 298.387 1.957 20 5 CDBDRO CC(C)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@@H](CO)C(C)C ZINC000451604417 390633212 /nfs/dbraw/zinc/63/32/12/390633212.db2.gz YVBHZKORWGESLY-GXTWGEPZSA-N 1 0 298.387 1.670 20 5 CDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCCO ZINC000494452878 390603585 /nfs/dbraw/zinc/60/35/85/390603585.db2.gz OYKLZHRELUJRGX-NSHDSACASA-N 1 0 295.339 1.674 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000135882360 390884573 /nfs/dbraw/zinc/88/45/73/390884573.db2.gz SXQHRNFIFLFFKO-BDAKNGLRSA-N 1 0 281.287 1.543 20 5 CDBDRO [NH3+]CC1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000238027914 390899657 /nfs/dbraw/zinc/89/96/57/390899657.db2.gz XARKMRWDOMEZPN-UHFFFAOYSA-N 1 0 291.351 1.725 20 5 CDBDRO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000235658829 390905998 /nfs/dbraw/zinc/90/59/98/390905998.db2.gz VKDSJXHHKYAXGP-GXFFZTMASA-N 1 0 277.324 1.794 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000415437131 391431401 /nfs/dbraw/zinc/43/14/01/391431401.db2.gz KPJWKFMTSUEAEC-SECBINFHSA-N 1 0 296.327 1.723 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH3+])C[C@H]1C ZINC000129146345 391637205 /nfs/dbraw/zinc/63/72/05/391637205.db2.gz XFUISRLVXLLZQS-PWSUYJOCSA-N 1 0 279.340 1.915 20 5 CDBDRO C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000189725711 130015426 /nfs/dbraw/zinc/01/54/26/130015426.db2.gz WRWNJOPTJRYZSN-ZWNOBZJWSA-N 1 0 250.298 1.798 20 5 CDBDRO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)CCS1 ZINC000192181252 130387866 /nfs/dbraw/zinc/38/78/66/130387866.db2.gz SJECEBLKWGEHSF-SNVBAGLBSA-N 1 0 270.358 1.619 20 5 CDBDRO CC[C@]1(O)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000495200007 391906220 /nfs/dbraw/zinc/90/62/20/391906220.db2.gz HITOJMFGEWNVMN-AWEZNQCLSA-N 1 0 280.324 1.820 20 5 CDBDRO CC[C@]1(O)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000495209152 391906485 /nfs/dbraw/zinc/90/64/85/391906485.db2.gz AFGXXYQTFPMXPV-ZDUSSCGKSA-N 1 0 250.298 1.942 20 5 CDBDRO CO[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1OC ZINC000487985020 391928870 /nfs/dbraw/zinc/92/88/70/391928870.db2.gz GBSDLBFEOBVIFG-CHWSQXEVSA-N 1 0 266.297 1.440 20 5 CDBDRO CCOc1cccc(N2CC[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC000122720634 391992850 /nfs/dbraw/zinc/99/28/50/391992850.db2.gz GBKLAXZVSWGCPI-SNVBAGLBSA-N 1 0 265.313 1.792 20 5 CDBDRO Cc1cnc(N2CCC([C@@H](C)[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000090692622 392100018 /nfs/dbraw/zinc/10/00/18/392100018.db2.gz JZMQOGWFZCQHBU-SNVBAGLBSA-N 1 0 264.329 1.862 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000237451469 131032017 /nfs/dbraw/zinc/03/20/17/131032017.db2.gz DITXJQQWVBDSSE-YVFTVSHDSA-N 1 0 263.297 1.414 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)C(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000237541234 131039964 /nfs/dbraw/zinc/03/99/64/131039964.db2.gz WPHYWFWNSJHIFD-VIFPVBQESA-N 1 0 265.313 1.818 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000238060419 131075405 /nfs/dbraw/zinc/07/54/05/131075405.db2.gz QWLOVUMUNXWAJD-CYBMUJFWSA-N 1 0 277.324 1.381 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261595103 131155107 /nfs/dbraw/zinc/15/51/07/131155107.db2.gz NWTMVTMATUGPQM-DTWKUNHWSA-N 1 0 281.337 1.338 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261607430 131156180 /nfs/dbraw/zinc/15/61/80/131156180.db2.gz DGXGRDFPULNRDK-QWHCGFSZSA-N 1 0 289.335 1.348 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000261765091 131167945 /nfs/dbraw/zinc/16/79/45/131167945.db2.gz VIXRTOWGXIWZHB-ZETOZRRWSA-N 1 0 291.351 1.640 20 5 CDBDRO O=C(C[NH2+]CC1CC1)NCCc1ccccc1[N+](=O)[O-] ZINC000262333531 131211769 /nfs/dbraw/zinc/21/17/69/131211769.db2.gz BLRLAVUNUYVVGR-UHFFFAOYSA-N 1 0 277.324 1.253 20 5 CDBDRO Cc1ccc(C(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262735293 131257439 /nfs/dbraw/zinc/25/74/39/131257439.db2.gz CHLLICAQVAZUHA-GHMZBOCLSA-N 1 0 277.324 1.726 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H]1C ZINC000262840763 131267182 /nfs/dbraw/zinc/26/71/82/131267182.db2.gz RFRNKBGSPNCRAA-SFYZADRCSA-N 1 0 253.258 1.010 20 5 CDBDRO Cc1nc(N[C@H](C[NH3+])CC(C)C)ncc1[N+](=O)[O-] ZINC000420179889 392900582 /nfs/dbraw/zinc/90/05/82/392900582.db2.gz CMFRTVXCIKCZLP-VIFPVBQESA-N 1 0 253.306 1.479 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420583778 392919470 /nfs/dbraw/zinc/91/94/70/392919470.db2.gz LAKCICJQCITPJM-JTQLQIEISA-N 1 0 294.355 1.836 20 5 CDBDRO CC[C@@H]1C[N@H+](CC)CCN1c1c([N+](=O)[O-])ncn1C ZINC000521788066 392870615 /nfs/dbraw/zinc/87/06/15/392870615.db2.gz HWOWZGLGLVEHGH-SNVBAGLBSA-N 1 0 267.333 1.249 20 5 CDBDRO [NH3+]CCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418298627 392879087 /nfs/dbraw/zinc/87/90/87/392879087.db2.gz QKMKCZBTPFVDMO-LBPRGKRZSA-N 1 0 292.339 1.443 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000269197412 132129046 /nfs/dbraw/zinc/12/90/46/132129046.db2.gz JCQLWBYVLOGLRG-KOLCDFICSA-N 1 0 292.339 1.295 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000269265276 132146869 /nfs/dbraw/zinc/14/68/69/132146869.db2.gz KKZVZWNLWFWRQZ-LLVKDONJSA-N 1 0 294.355 1.496 20 5 CDBDRO CC[NH2+][C@H](C)CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423389660 392961650 /nfs/dbraw/zinc/96/16/50/392961650.db2.gz VKQMCUSCLMANOD-FRRDWIJNSA-N 1 0 295.387 1.863 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000194855807 392973577 /nfs/dbraw/zinc/97/35/77/392973577.db2.gz HUKKCBDBXWMMFC-RKDXNWHRSA-N 1 0 283.353 1.539 20 5 CDBDRO CC[C@H](CO)[NH+]1CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000225459344 392987764 /nfs/dbraw/zinc/98/77/64/392987764.db2.gz PCBWIYGNDQQUPR-CYBMUJFWSA-N 1 0 293.367 1.796 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1CO ZINC000430222590 393092855 /nfs/dbraw/zinc/09/28/55/393092855.db2.gz WIHLKLOSRBLANM-LBPRGKRZSA-N 1 0 266.297 1.560 20 5 CDBDRO CC[N@H+](CCOCCO)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000282173414 393173255 /nfs/dbraw/zinc/17/32/55/393173255.db2.gz VFBJYNUSEXHRSS-GFCCVEGCSA-N 1 0 282.340 1.987 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000449112808 393129229 /nfs/dbraw/zinc/12/92/29/393129229.db2.gz SUQXSYPDVHMRIV-ZYHUDNBSSA-N 1 0 277.324 1.346 20 5 CDBDRO CCN(C)C(=O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449259862 393132217 /nfs/dbraw/zinc/13/22/17/393132217.db2.gz VJUKAIBDIMKHNM-LLVKDONJSA-N 1 0 279.340 1.594 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCOC1 ZINC000449215900 393132245 /nfs/dbraw/zinc/13/22/45/393132245.db2.gz ZJDOTYIWTMQVCV-SMDDNHRTSA-N 1 0 280.324 1.267 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCCO ZINC000449288783 393133794 /nfs/dbraw/zinc/13/37/94/393133794.db2.gz OCNPXDJERKGHCN-NSHDSACASA-N 1 0 252.314 1.888 20 5 CDBDRO COc1cc(C[NH2+]C[C@@H](O)C2CCC2)c([N+](=O)[O-])cc1O ZINC000449739415 393139912 /nfs/dbraw/zinc/13/99/12/393139912.db2.gz KULCKDXWOQTFLB-CYBMUJFWSA-N 1 0 296.323 1.560 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCCF ZINC000281917159 393163795 /nfs/dbraw/zinc/16/37/95/393163795.db2.gz AIOHMIYJVSBEIM-VHSXEESVSA-N 1 0 283.303 1.720 20 5 CDBDRO Cc1cc(NC(=O)NCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000193515214 393362759 /nfs/dbraw/zinc/36/27/59/393362759.db2.gz KEOUMUUYHKAJJP-UHFFFAOYSA-N 1 0 266.301 1.586 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132503557 139852735 /nfs/dbraw/zinc/85/27/35/139852735.db2.gz VWEDHVMNIBQWEO-ZJUUUORDSA-N 1 0 282.731 1.974 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180744218 140017305 /nfs/dbraw/zinc/01/73/05/140017305.db2.gz CEBCHGOZJYRNSK-JTQLQIEISA-N 1 0 292.339 1.343 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000185106024 140035731 /nfs/dbraw/zinc/03/57/31/140035731.db2.gz DTZKHGHKNUCWKY-XQQFMLRXSA-N 1 0 289.335 1.713 20 5 CDBDRO CC(C)c1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000187670664 140082512 /nfs/dbraw/zinc/08/25/12/140082512.db2.gz IVCABRLYLDITEP-STQMWFEESA-N 1 0 294.351 1.646 20 5 CDBDRO C[NH+](C)CCOCCNc1ccc([N+](=O)[O-])cc1F ZINC000226738395 140181474 /nfs/dbraw/zinc/18/14/74/140181474.db2.gz DQCJGWKCGNDTMM-UHFFFAOYSA-N 1 0 271.292 1.724 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000232232535 140221536 /nfs/dbraw/zinc/22/15/36/140221536.db2.gz AKWWRJGKMLKVAM-SNVBAGLBSA-N 1 0 281.287 1.606 20 5 CDBDRO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1[N+](=O)[O-] ZINC000252854497 140327088 /nfs/dbraw/zinc/32/70/88/140327088.db2.gz HAMHQYIUDNXMHV-SGMGOOAPSA-N 1 0 292.335 1.806 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1 ZINC000252883739 140328911 /nfs/dbraw/zinc/32/89/11/140328911.db2.gz VMJBHCXTINQJST-FPMFFAJLSA-N 1 0 262.309 1.798 20 5 CDBDRO COc1ccc(NC(=O)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000261545585 140344874 /nfs/dbraw/zinc/34/48/74/140344874.db2.gz FJDKVFJTDDSAJL-SSDOTTSWSA-N 1 0 253.258 1.279 20 5 CDBDRO Cc1nc(N2CC[C@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000261585245 140356435 /nfs/dbraw/zinc/35/64/35/140356435.db2.gz SWQRIKMWRIEVJV-GFCCVEGCSA-N 1 0 250.302 1.473 20 5 CDBDRO O=[N+]([O-])c1cc(CN2CC[C@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000261585864 140356884 /nfs/dbraw/zinc/35/68/84/140356884.db2.gz UAAHJYOMHBHWFT-QWRGUYRKSA-N 1 0 267.354 1.698 20 5 CDBDRO [NH3+][C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)C1CC1 ZINC000261589726 140358173 /nfs/dbraw/zinc/35/81/73/140358173.db2.gz KWKZSRIOQCUVNN-MRVPVSSYSA-N 1 0 279.325 1.749 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000261735145 140382255 /nfs/dbraw/zinc/38/22/55/140382255.db2.gz RRLOOUHDCXWTFR-OAHLLOKOSA-N 1 0 290.367 1.074 20 5 CDBDRO COc1cc(N2CC[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000261802792 140391476 /nfs/dbraw/zinc/39/14/76/140391476.db2.gz RMADNFVLKIGVMJ-AWEZNQCLSA-N 1 0 277.324 1.793 20 5 CDBDRO COc1cc(N2CC[C@]3(CC[NH2+]C3)C2)c(F)cc1[N+](=O)[O-] ZINC000261804566 140391886 /nfs/dbraw/zinc/39/18/86/140391886.db2.gz ZDOKSTCBCVNEQT-AWEZNQCLSA-N 1 0 295.314 1.932 20 5 CDBDRO [NH3+][C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000129184092 147617837 /nfs/dbraw/zinc/61/78/37/147617837.db2.gz ZCXXXELLEKJAEA-JTQLQIEISA-N 1 0 283.715 1.715 20 5 CDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1(C(N)=O)CC1 ZINC000191486850 148514467 /nfs/dbraw/zinc/51/44/67/148514467.db2.gz OFBDRKAGNNXWEF-JTQLQIEISA-N 1 0 277.324 1.523 20 5 CDBDRO CO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C[NH3+])C1 ZINC000167195192 286055481 /nfs/dbraw/zinc/05/54/81/286055481.db2.gz RSFWHUZTKDPMEF-BDAKNGLRSA-N 1 0 299.352 1.235 20 5 CDBDRO CCC1(CO)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000305698177 149141572 /nfs/dbraw/zinc/14/15/72/149141572.db2.gz CJUVJHNUCDUHNL-UHFFFAOYSA-N 1 0 282.344 1.276 20 5 CDBDRO CN1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000312050715 149226024 /nfs/dbraw/zinc/22/60/24/149226024.db2.gz BYBBNTDHKWKHFN-SECBINFHSA-N 1 0 283.715 1.569 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[N@@H+]1CCCC[C@H]1C ZINC000343069698 152019678 /nfs/dbraw/zinc/01/96/78/152019678.db2.gz ZYDQRUKXCRJRLX-MNOVXSKESA-N 1 0 294.355 1.916 20 5 CDBDRO [NH3+][C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000346056631 153037935 /nfs/dbraw/zinc/03/79/35/153037935.db2.gz BYJLFFKPKHZOBG-LLVKDONJSA-N 1 0 265.313 1.397 20 5 CDBDRO [NH3+][C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000346064205 153040913 /nfs/dbraw/zinc/04/09/13/153040913.db2.gz KOOLZWOKTDPHNZ-LLVKDONJSA-N 1 0 292.339 1.347 20 5 CDBDRO [NH3+][C@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000346085684 153047158 /nfs/dbraw/zinc/04/71/58/153047158.db2.gz UGDWZZMUXOTJCP-NSHDSACASA-N 1 0 292.339 1.347 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000346139217 153068242 /nfs/dbraw/zinc/06/82/42/153068242.db2.gz NXAWNNYQFJZPBL-VIFPVBQESA-N 1 0 290.323 1.756 20 5 CDBDRO COc1cc(C(=O)N[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000346228527 153105282 /nfs/dbraw/zinc/10/52/82/153105282.db2.gz REEQAPYYXAEJGQ-SECBINFHSA-N 1 0 281.312 1.283 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[NH2+]CC1 ZINC000346688404 153272962 /nfs/dbraw/zinc/27/29/62/153272962.db2.gz NZVPGGCGBDLPMS-UHFFFAOYSA-N 1 0 279.340 1.789 20 5 CDBDRO C[C@H](CO)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000349299889 154084585 /nfs/dbraw/zinc/08/45/85/154084585.db2.gz RTOZNFQEENFOJP-JPVGGKMYSA-N 1 0 250.298 1.921 20 5 CDBDRO C[NH2+][C@H](C)Cc1noc(-c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000349917894 154271248 /nfs/dbraw/zinc/27/12/48/154271248.db2.gz BVLYZKZCAZDAIR-SSDOTTSWSA-N 1 0 280.259 1.934 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CC[C@H](CO)O1 ZINC000353702091 156024615 /nfs/dbraw/zinc/02/46/15/156024615.db2.gz IAKVVIVLBWFMDA-ZIAGYGMSSA-N 1 0 280.324 1.533 20 5 CDBDRO CCC[N@H+](C)CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000355585008 157129861 /nfs/dbraw/zinc/12/98/61/157129861.db2.gz LEUPHYVBEPMVFU-UHFFFAOYSA-N 1 0 277.324 1.826 20 5 CDBDRO COc1c(C(=O)N[C@@H](C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000356086252 157348738 /nfs/dbraw/zinc/34/87/38/157348738.db2.gz BWHHJRXQWLGUMM-JTQLQIEISA-N 1 0 295.339 1.673 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000359025477 158102683 /nfs/dbraw/zinc/10/26/83/158102683.db2.gz DXNQQXMEQRFYBJ-NXEZZACHSA-N 1 0 293.327 1.016 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCOCC2)c1 ZINC000363379845 159322894 /nfs/dbraw/zinc/32/28/94/159322894.db2.gz YEPKELMFTVEHNP-ZDUSSCGKSA-N 1 0 296.323 1.057 20 5 CDBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccc([N+](=O)[O-])cc1F ZINC000366605995 159387298 /nfs/dbraw/zinc/38/72/98/159387298.db2.gz UQSANDRRUJGPCL-LBPRGKRZSA-N 1 0 293.298 1.606 20 5 CDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000373428778 160200123 /nfs/dbraw/zinc/20/01/23/160200123.db2.gz ZMENROANZZHDRQ-ZFWWWQNUSA-N 1 0 289.335 1.253 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000374401631 160283032 /nfs/dbraw/zinc/28/30/32/160283032.db2.gz RFWJIVIZDOWYLT-NEPJUHHUSA-N 1 0 280.328 1.150 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000375065782 160342233 /nfs/dbraw/zinc/34/22/33/160342233.db2.gz PZQVVPOYTHZUOM-IUCAKERBSA-N 1 0 287.316 1.428 20 5 CDBDRO C[C@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284859066 196145855 /nfs/dbraw/zinc/14/58/55/196145855.db2.gz AMAZWACTMKCEJB-QMMMGPOBSA-N 1 0 280.328 1.339 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCC1(O)CCOCC1 ZINC000285365559 196261780 /nfs/dbraw/zinc/26/17/80/196261780.db2.gz BVRUIFWCSOQJQB-UHFFFAOYSA-N 1 0 280.324 1.616 20 5 CDBDRO COC[C@](C)([NH3+])CNc1c(F)cccc1[N+](=O)[O-] ZINC000286025659 196474419 /nfs/dbraw/zinc/47/44/19/196474419.db2.gz ATOASOAQUVCCBQ-LLVKDONJSA-N 1 0 257.265 1.510 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2COCCO2)cc1[N+](=O)[O-] ZINC000038060680 174071670 /nfs/dbraw/zinc/07/16/70/174071670.db2.gz SHMTVRIEENEFSZ-YPMHNXCESA-N 1 0 280.324 1.969 20 5 CDBDRO CCOC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000286088583 196493270 /nfs/dbraw/zinc/49/32/70/196493270.db2.gz KNNJBEIRFLZNAI-CYBMUJFWSA-N 1 0 297.355 1.407 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000040596156 174348995 /nfs/dbraw/zinc/34/89/95/174348995.db2.gz KHRZKMAZMHLTOW-GFCCVEGCSA-N 1 0 291.351 1.975 20 5 CDBDRO [NH3+]CCNc1ccc([N+](=O)[O-])cc1Br ZINC000043596407 175076639 /nfs/dbraw/zinc/07/66/39/175076639.db2.gz RAUOMUHTQCUGTE-UHFFFAOYSA-N 1 0 260.091 1.728 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000044528507 175193078 /nfs/dbraw/zinc/19/30/78/175193078.db2.gz LUPPFYMTDZALEZ-QMMMGPOBSA-N 1 0 269.326 1.467 20 5 CDBDRO [NH3+]C[C@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000044530658 175195489 /nfs/dbraw/zinc/19/54/89/175195489.db2.gz QVVZAGBNJGRPQP-LLVKDONJSA-N 1 0 292.339 1.204 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000044558866 175203742 /nfs/dbraw/zinc/20/37/42/175203742.db2.gz BDLAYHRTQZUQGF-LLVKDONJSA-N 1 0 292.339 1.347 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000044747934 175243487 /nfs/dbraw/zinc/24/34/87/175243487.db2.gz PKITULBFHIVXGT-NSHDSACASA-N 1 0 277.324 1.633 20 5 CDBDRO NC(=O)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000044937691 175281652 /nfs/dbraw/zinc/28/16/52/175281652.db2.gz NCRQMFUMGIMGPR-UHFFFAOYSA-N 1 0 293.323 1.171 20 5 CDBDRO C[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000045107541 175308292 /nfs/dbraw/zinc/30/82/92/175308292.db2.gz XMCTXFXCHZGEOZ-LLVKDONJSA-N 1 0 251.330 1.677 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000071143721 176041232 /nfs/dbraw/zinc/04/12/32/176041232.db2.gz ZPEZFQIGBDPJOB-LVDDQXARSA-N 1 0 289.335 1.676 20 5 CDBDRO C[C@H](C1CC1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000078723319 177375752 /nfs/dbraw/zinc/37/57/52/177375752.db2.gz ZUFBBMXSONLZDT-SECBINFHSA-N 1 0 277.324 1.924 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163716767 292583567 /nfs/dbraw/zinc/58/35/67/292583567.db2.gz ZHRPKFQHOKDGMF-ZYHUDNBSSA-N 1 0 291.351 1.960 20 5 CDBDRO C[C@H](NC(=O)[C@H]([NH3+])C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000399016702 270366244 /nfs/dbraw/zinc/36/62/44/270366244.db2.gz GFRZPZPMIIVNRR-TVQRCGJNSA-N 1 0 277.324 1.899 20 5 CDBDRO C[NH2+]CCCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000515342109 270432898 /nfs/dbraw/zinc/43/28/98/270432898.db2.gz UTIFTSYHHGINTE-UHFFFAOYSA-N 1 0 292.339 1.272 20 5 CDBDRO CC(C)(O)C[NH+]1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000070980294 273507987 /nfs/dbraw/zinc/50/79/87/273507987.db2.gz WNJXQXRWTXGSSR-UHFFFAOYSA-N 1 0 297.330 1.627 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CCC([NH2+]CCO)CC2)c1 ZINC000290901009 274117938 /nfs/dbraw/zinc/11/79/38/274117938.db2.gz FDTBIVWNGAAWJV-UHFFFAOYSA-N 1 0 295.339 1.154 20 5 CDBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)C[C@H]1[NH+](C)C ZINC000271025699 274182531 /nfs/dbraw/zinc/18/25/31/274182531.db2.gz GLCXSXYBEHOPQO-VXGBXAGGSA-N 1 0 296.396 1.780 20 5 CDBDRO C[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CC[NH2+]1 ZINC000420209275 274371494 /nfs/dbraw/zinc/37/14/94/274371494.db2.gz ROLIAWRVXNVDEL-SECBINFHSA-N 1 0 273.296 1.336 20 5 CDBDRO Cc1cc(N2CCC[C@@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000092027575 274704976 /nfs/dbraw/zinc/70/49/76/274704976.db2.gz NDJUGMAAIHNZOU-JTQLQIEISA-N 1 0 250.302 1.473 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000078571705 274724343 /nfs/dbraw/zinc/72/43/43/274724343.db2.gz GJONRIFMCJTWRZ-LBPRGKRZSA-N 1 0 276.340 1.973 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000261841539 274952643 /nfs/dbraw/zinc/95/26/43/274952643.db2.gz VATVDEWGUHORMQ-GHMZBOCLSA-N 1 0 289.335 1.859 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000158065020 274962025 /nfs/dbraw/zinc/96/20/25/274962025.db2.gz BICZSCFSESAYPS-VIFPVBQESA-N 1 0 294.267 1.066 20 5 CDBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CCC[NH2+]C2)s1 ZINC000261576839 275034336 /nfs/dbraw/zinc/03/43/36/275034336.db2.gz CHKJCCHYJDUWJV-ZETCQYMHSA-N 1 0 279.325 1.763 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000070496543 277031789 /nfs/dbraw/zinc/03/17/89/277031789.db2.gz LYIDYGBFCLXKDM-LLVKDONJSA-N 1 0 264.329 1.734 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CCN(c3ncc([N+](=O)[O-])s3)[C@H]2C1 ZINC000249297882 277147802 /nfs/dbraw/zinc/14/78/02/277147802.db2.gz RKPYPBKRCVOAKY-BDAKNGLRSA-N 1 0 268.342 1.582 20 5 CDBDRO C[NH2+]CCN(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000070304483 277270916 /nfs/dbraw/zinc/27/09/16/277270916.db2.gz KJAXIEBPXSOEBY-UHFFFAOYSA-N 1 0 260.297 1.799 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000129434705 277282313 /nfs/dbraw/zinc/28/23/13/277282313.db2.gz NEJJIIIMPNXIFH-VIFPVBQESA-N 1 0 265.313 1.489 20 5 CDBDRO C[NH2+]C[C@H](C)CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000420215351 277282860 /nfs/dbraw/zinc/28/28/60/277282860.db2.gz VZLZGEBRZVGMMM-VIFPVBQESA-N 1 0 264.329 1.830 20 5 CDBDRO COC[C@]1(CNc2c(F)cccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261778610 277609688 /nfs/dbraw/zinc/60/96/88/277609688.db2.gz PJRRWFJRWRUASK-CYBMUJFWSA-N 1 0 283.303 1.914 20 5 CDBDRO COc1cccc(N2CC[C@H]([NH3+])[C@H](C)C2)c1[N+](=O)[O-] ZINC000135057751 278016823 /nfs/dbraw/zinc/01/68/23/278016823.db2.gz FXKHBIPYBYSVEM-ZJUUUORDSA-N 1 0 265.313 1.777 20 5 CDBDRO C[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000286037147 278287687 /nfs/dbraw/zinc/28/76/87/278287687.db2.gz BIUWCHLJXHJEJD-NSHDSACASA-N 1 0 294.355 1.557 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000449595075 278311039 /nfs/dbraw/zinc/31/10/39/278311039.db2.gz ZRYCQDHBGLDPRX-HTQZYQBOSA-N 1 0 277.280 1.807 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000186864076 278564791 /nfs/dbraw/zinc/56/47/91/278564791.db2.gz LTYSHJJWSJXMOG-SFYZADRCSA-N 1 0 269.326 1.384 20 5 CDBDRO C[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000261581080 278798716 /nfs/dbraw/zinc/79/87/16/278798716.db2.gz QJWNEIREQGAYTE-SCZZXKLOSA-N 1 0 253.277 1.907 20 5 CDBDRO C[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000086471225 278813449 /nfs/dbraw/zinc/81/34/49/278813449.db2.gz YDGUZZMXFCNKKA-SFYZADRCSA-N 1 0 281.341 1.491 20 5 CDBDRO Cc1cccc(N2CCO[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000235927642 278923194 /nfs/dbraw/zinc/92/31/94/278923194.db2.gz KZJKKBOLZHWSOM-JTQLQIEISA-N 1 0 251.286 1.067 20 5 CDBDRO Cc1cnc(N2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000090692650 279014525 /nfs/dbraw/zinc/01/45/25/279014525.db2.gz XZNUCRGWWRBWTB-NSHDSACASA-N 1 0 264.329 1.863 20 5 CDBDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000227968167 279055308 /nfs/dbraw/zinc/05/53/08/279055308.db2.gz FKWRTYOUMZGVQS-GWCFXTLKSA-N 1 0 266.297 1.224 20 5 CDBDRO C[C@@H]1[C@@H]([NH3+])CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420258492 279086503 /nfs/dbraw/zinc/08/65/03/279086503.db2.gz XQEMVIKMKWWBHI-KCJUWKMLSA-N 1 0 289.295 1.571 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000216175851 280088049 /nfs/dbraw/zinc/08/80/49/280088049.db2.gz SWWPNAINXAKPCF-HTQZYQBOSA-N 1 0 281.341 1.478 20 5 CDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]C1 ZINC000217463253 280088955 /nfs/dbraw/zinc/08/89/55/280088955.db2.gz NFACHTSSCCITNK-KRZKBDHCSA-N 1 0 289.335 1.724 20 5 CDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000286492587 280116193 /nfs/dbraw/zinc/11/61/93/280116193.db2.gz RLSDFNLWVCXKQF-VHSXEESVSA-N 1 0 292.343 1.030 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[NH2+]CC1 ZINC000422711038 280400225 /nfs/dbraw/zinc/40/02/25/280400225.db2.gz MSNKELLPIOFJPZ-UHFFFAOYSA-N 1 0 277.324 1.647 20 5 CDBDRO Cc1cc(NC2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000073000250 280626119 /nfs/dbraw/zinc/62/61/19/280626119.db2.gz QTPHGULJWUOXNF-UHFFFAOYSA-N 1 0 250.302 1.804 20 5 CDBDRO COc1cc(C(=O)N2CC[C@H]([NH3+])C2)cc([N+](=O)[O-])c1C ZINC000422758540 280751681 /nfs/dbraw/zinc/75/16/81/280751681.db2.gz FCLGTNSEGXPCBJ-JTQLQIEISA-N 1 0 279.296 1.085 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)n1 ZINC000302843612 281014765 /nfs/dbraw/zinc/01/47/65/281014765.db2.gz FETLZINIJBWBSY-PHIMTYICSA-N 1 0 262.313 1.296 20 5 CDBDRO C[NH+](C)C(C)(C)CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000065857893 282014728 /nfs/dbraw/zinc/01/47/28/282014728.db2.gz BIRAGHPGQUCMTN-UHFFFAOYSA-N 1 0 294.355 1.463 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@]1(C)CO ZINC000562374445 293146324 /nfs/dbraw/zinc/14/63/24/293146324.db2.gz QFEMGJNUEJGIPO-CQSZACIVSA-N 1 0 280.324 1.950 20 5 CDBDRO COc1cccc(C(=O)N2CCC[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000564567811 293372645 /nfs/dbraw/zinc/37/26/45/293372645.db2.gz SLFJZRDIPBYPJP-JTQLQIEISA-N 1 0 293.323 1.414 20 5 CDBDRO CC1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000571158567 294378617 /nfs/dbraw/zinc/37/86/17/294378617.db2.gz NKKWSRWKVAEMQH-NSHDSACASA-N 1 0 280.324 1.724 20 5 CDBDRO COc1cccc(C(=O)N[C@@H](C[NH3+])CC(C)C)c1[N+](=O)[O-] ZINC000577947214 317436511 /nfs/dbraw/zinc/43/65/11/317436511.db2.gz BDOQFTJRRJJIEG-SNVBAGLBSA-N 1 0 295.339 1.707 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])CCCCC1 ZINC000380466385 323615265 /nfs/dbraw/zinc/61/52/65/323615265.db2.gz QDZZCNRAPOXGGO-UHFFFAOYSA-N 1 0 280.328 1.325 20 5 CDBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000386961203 323755571 /nfs/dbraw/zinc/75/55/71/323755571.db2.gz YZKRSPJXOHAWNZ-ZJUUUORDSA-N 1 0 254.286 1.333 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@@H](C)O ZINC000386957685 323755971 /nfs/dbraw/zinc/75/59/71/323755971.db2.gz YFCOWLVMGDWOTH-RKDXNWHRSA-N 1 0 254.286 1.462 20 5 CDBDRO C[NH+](C)C[C@H]1CCCN1c1ccc([N+](=O)[O-])c(N)n1 ZINC000167823935 1159230304 /nfs/dbraw/zinc/23/03/04/1159230304.db2.gz YQWWNIILMPUNHL-SECBINFHSA-N 1 0 265.317 1.102 20 5 CDBDRO [NH3+][C@@H](CC(F)F)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000312735251 482836442 /nfs/dbraw/zinc/83/64/42/482836442.db2.gz WVOQDJZPYAMCCP-JTQLQIEISA-N 1 0 287.266 1.236 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000148866414 522032774 /nfs/dbraw/zinc/03/27/74/522032774.db2.gz QKCHYMBYFTZLOO-SECBINFHSA-N 1 0 251.286 1.180 20 5 CDBDRO C[NH2+][C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000234486884 522499096 /nfs/dbraw/zinc/49/90/96/522499096.db2.gz XXJVRYHLIFBMJD-QMMMGPOBSA-N 1 0 270.720 1.831 20 5 CDBDRO CC(C)Oc1nc(NCC2([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000565783461 517452848 /nfs/dbraw/zinc/45/28/48/517452848.db2.gz AKSRNYXYYZFDGA-UHFFFAOYSA-N 1 0 294.355 1.705 20 5 CDBDRO CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000385250686 517893868 /nfs/dbraw/zinc/89/38/68/517893868.db2.gz WYXGZNUQMCCUDQ-UHFFFAOYSA-N 1 0 283.715 1.810 20 5 CDBDRO CC(C)(C(=O)N[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000269124788 534372539 /nfs/dbraw/zinc/37/25/39/534372539.db2.gz CBQXYFSDGZEXFZ-NSHDSACASA-N 1 0 277.324 1.351 20 5 CDBDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000156671494 519625438 /nfs/dbraw/zinc/62/54/38/519625438.db2.gz KOSGUEXSWPAOFT-CYBMUJFWSA-N 1 0 291.351 1.895 20 5 CDBDRO C[NH+](C)CCO[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000337020861 521796024 /nfs/dbraw/zinc/79/60/24/521796024.db2.gz RBLJPPRNYCOJEE-VIFPVBQESA-N 1 0 286.357 1.208 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000053202167 522494814 /nfs/dbraw/zinc/49/48/14/522494814.db2.gz SZAUCSOHHPUDKL-NSHDSACASA-N 1 0 277.324 1.727 20 5 CDBDRO COc1cc(NC[C@H]([NH3+])C2CC2)c(F)cc1[N+](=O)[O-] ZINC000227860863 522746093 /nfs/dbraw/zinc/74/60/93/522746093.db2.gz RUDVVMJQISGJSL-VIFPVBQESA-N 1 0 269.276 1.892 20 5 CDBDRO CO[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000161039071 523998951 /nfs/dbraw/zinc/99/89/51/523998951.db2.gz HHSSWDWAWXAFCS-QWRGUYRKSA-N 1 0 285.369 1.594 20 5 CDBDRO CNC(=O)[C@H](C)C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000081525819 524095167 /nfs/dbraw/zinc/09/51/67/524095167.db2.gz ZVVQHWCDGKJQBU-LLVKDONJSA-N 1 0 295.339 1.288 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000157350921 524802100 /nfs/dbraw/zinc/80/21/00/524802100.db2.gz BQZBOHNXPVCRQS-UWVGGRQHSA-N 1 0 292.339 1.390 20 5 CDBDRO C[C@@H]([NH3+])CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000261898250 524992684 /nfs/dbraw/zinc/99/26/84/524992684.db2.gz YFLDBOCXXBYHGK-SNVBAGLBSA-N 1 0 277.324 1.823 20 5 CDBDRO C[C@@H](NC(=O)[C@H](C)C1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000164123251 525279440 /nfs/dbraw/zinc/27/94/40/525279440.db2.gz XWVFJAPESWOZDV-NXEZZACHSA-N 1 0 277.324 1.628 20 5 CDBDRO C[C@@H]1C[C@H](O)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000340935285 525453809 /nfs/dbraw/zinc/45/38/09/525453809.db2.gz WVUYNIGECCNQGX-PWSUYJOCSA-N 1 0 266.297 1.429 20 5 CDBDRO C[C@@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000069136979 525679265 /nfs/dbraw/zinc/67/92/65/525679265.db2.gz SDXDCQCJQZMINU-PWSUYJOCSA-N 1 0 298.364 1.823 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000261555857 525831753 /nfs/dbraw/zinc/83/17/53/525831753.db2.gz QDCLJQWYLXVLRV-NSHDSACASA-N 1 0 255.343 1.827 20 5 CDBDRO [NH3+]CCCCCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943207 527171881 /nfs/dbraw/zinc/17/18/81/527171881.db2.gz CBEFVMHJFUGMAY-UHFFFAOYSA-N 1 0 265.313 1.730 20 5 CDBDRO O=[N+]([O-])c1c(NC[C@@H]2C[NH2+]CCO2)ccc2ncccc21 ZINC000157410019 527321872 /nfs/dbraw/zinc/32/18/72/527321872.db2.gz BNVWWQCOIRSCGN-JTQLQIEISA-N 1 0 288.307 1.543 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(n3cccn3)CC2)n1 ZINC000365845892 527406705 /nfs/dbraw/zinc/40/67/05/527406705.db2.gz WISRJHSIJUOFLS-UHFFFAOYSA-N 1 0 290.327 1.325 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000307853301 527793127 /nfs/dbraw/zinc/79/31/27/527793127.db2.gz AIBAZBNSLJFHPN-NSHDSACASA-N 1 0 263.297 1.465 20 5 CDBDRO CC(C)C[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304306262 528381165 /nfs/dbraw/zinc/38/11/65/528381165.db2.gz KBGJUPRWLNAJEP-GXTWGEPZSA-N 1 0 296.371 1.663 20 5 CDBDRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000218842965 535819304 /nfs/dbraw/zinc/81/93/04/535819304.db2.gz CULFTAKDMFNZQI-MRVWCRGKSA-N 1 0 296.371 1.711 20 5 CDBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000261740720 536346195 /nfs/dbraw/zinc/34/61/95/536346195.db2.gz KZXYEQCPXSNDKQ-ZETCQYMHSA-N 1 0 277.284 1.377 20 5 CDBDRO CC1CC[NH+](CCCNc2c([N+](=O)[O-])cnn2C)CC1 ZINC000891594974 617496902 /nfs/dbraw/zinc/49/69/02/617496902.db2.gz OUXFRJUBGGUXSL-UHFFFAOYSA-N 1 0 281.360 1.862 20 5 CDBDRO C[C@@H](Cc1cccnc1)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000934232795 617502421 /nfs/dbraw/zinc/50/24/21/617502421.db2.gz GYAYGVMKDUFSGO-NSHDSACASA-N 1 0 275.312 1.407 20 5 CDBDRO CC(=O)OC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000893327297 617579393 /nfs/dbraw/zinc/57/93/93/617579393.db2.gz AKNLDJSBBAWZAL-VIFPVBQESA-N 1 0 252.270 1.636 20 5 CDBDRO C[C@@H](C[NH+]1CCCCC1)Nc1c([N+](=O)[O-])cnn1C ZINC000891792779 617593069 /nfs/dbraw/zinc/59/30/69/617593069.db2.gz LUFPFAPTKJSYAV-JTQLQIEISA-N 1 0 267.333 1.615 20 5 CDBDRO CC(C)(CCC(=O)N[C@]1(C)C[NH+]2CCC1CC2)[N+](=O)[O-] ZINC000892766269 617717630 /nfs/dbraw/zinc/71/76/30/617717630.db2.gz NFWDBBJBYXALOG-CQSZACIVSA-N 1 0 283.372 1.422 20 5 CDBDRO CC(C)(CCC(=O)N[C@@]1(C)C[NH+]2CCC1CC2)[N+](=O)[O-] ZINC000892766268 617718385 /nfs/dbraw/zinc/71/83/85/617718385.db2.gz NFWDBBJBYXALOG-AWEZNQCLSA-N 1 0 283.372 1.422 20 5 CDBDRO C[N@@H+]1C[C@@H]2CCN(c3nc4ccccn4c3[N+](=O)[O-])[C@@H]2C1 ZINC000893939185 618200832 /nfs/dbraw/zinc/20/08/32/618200832.db2.gz IHHGWIVJCFCMSI-WDEREUQCSA-N 1 0 287.323 1.383 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000893990755 618234055 /nfs/dbraw/zinc/23/40/55/618234055.db2.gz OLXVQQGLISFBAR-AOOOYVTPSA-N 1 0 280.328 1.527 20 5 CDBDRO Cc1c(Cc2nc(CC[NH3+])no2)cccc1[N+](=O)[O-] ZINC000843129370 618693858 /nfs/dbraw/zinc/69/38/58/618693858.db2.gz WPKQQCAJEVRSCR-UHFFFAOYSA-N 1 0 262.269 1.378 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000894428531 618882232 /nfs/dbraw/zinc/88/22/32/618882232.db2.gz XOBZLYYDYYJJNF-DTORHVGOSA-N 1 0 253.306 1.080 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000894654574 619005963 /nfs/dbraw/zinc/00/59/63/619005963.db2.gz DNBYTIXSBKZRPQ-GFCCVEGCSA-N 1 0 293.371 1.862 20 5 CDBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CC[C@@H](C)O2)c1[N+](=O)[O-] ZINC000894815949 619072110 /nfs/dbraw/zinc/07/21/10/619072110.db2.gz BUAOGNMFFGQGLH-KOLCDFICSA-N 1 0 296.323 1.966 20 5 CDBDRO Cc1ccc(N2CCC(O)(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000894957035 619159858 /nfs/dbraw/zinc/15/98/58/619159858.db2.gz UBEKDIKPCDLWRA-UHFFFAOYSA-N 1 0 293.367 1.796 20 5 CDBDRO CCC[C@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[NH2+]1 ZINC000895057560 619242213 /nfs/dbraw/zinc/24/22/13/619242213.db2.gz GBTAKUMYACGOBV-VIFPVBQESA-N 1 0 266.301 1.274 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)n1 ZINC000895246324 619491857 /nfs/dbraw/zinc/49/18/57/619491857.db2.gz MYMWFGPOLLPAAN-YPMHNXCESA-N 1 0 293.371 1.344 20 5 CDBDRO C[C@@H]1COC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000925194830 620545921 /nfs/dbraw/zinc/54/59/21/620545921.db2.gz PXNFOSYUVITEKL-MWLCHTKSSA-N 1 0 279.296 1.158 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841010880 620936891 /nfs/dbraw/zinc/93/68/91/620936891.db2.gz JXUJLKYRYKGKTB-ZCFIWIBFSA-N 1 0 272.692 1.717 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000923890707 621662898 /nfs/dbraw/zinc/66/28/98/621662898.db2.gz SQOKSXIQBHGEKT-LLVKDONJSA-N 1 0 296.327 1.207 20 5 CDBDRO C[C@H]([NH2+]CCO[C@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927081087 621690437 /nfs/dbraw/zinc/69/04/37/621690437.db2.gz NNQQCGNPFZNMSK-JQWIXIFHSA-N 1 0 295.339 1.633 20 5 CDBDRO COc1cc(CNCC2([NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000904449824 626300191 /nfs/dbraw/zinc/30/01/91/626300191.db2.gz OXANRMQZPLUZMY-UHFFFAOYSA-N 1 0 281.312 1.193 20 5 CDBDRO CC(C)(CCc1noc([C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)n1)[N+](=O)[O-] ZINC000904721917 626335746 /nfs/dbraw/zinc/33/57/46/626335746.db2.gz PRQMWOWVFAFTHB-IVZWLZJFSA-N 1 0 280.328 1.665 20 5 CDBDRO O=[N+]([O-])CCN[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000905090943 626605609 /nfs/dbraw/zinc/60/56/09/626605609.db2.gz WGVBRFCIITVUTG-OLZOCXBDSA-N 1 0 250.298 1.773 20 5 CDBDRO CC[NH+]1CCN(c2ccc(NCC[N+](=O)[O-])cc2)CC1 ZINC000905297618 626725367 /nfs/dbraw/zinc/72/53/67/626725367.db2.gz AQTOMGXYWOHISD-UHFFFAOYSA-N 1 0 278.356 1.517 20 5 CDBDRO C[C@@H](C[NH2+]CC[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000905404500 626798395 /nfs/dbraw/zinc/79/83/95/626798395.db2.gz KNQDNWMDPMBCBS-JTQLQIEISA-N 1 0 286.353 1.060 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](CO)c1ccc(Cl)cc1 ZINC000905415744 626804486 /nfs/dbraw/zinc/80/44/86/626804486.db2.gz OMINBPKAJFZALX-JTQLQIEISA-N 1 0 258.705 1.282 20 5 CDBDRO CCC[C@@H](O)CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000905588812 626879857 /nfs/dbraw/zinc/87/98/57/626879857.db2.gz MDJMBXJMLXYWJF-ZIAGYGMSSA-N 1 0 282.340 1.769 20 5 CDBDRO C[NH+]1CC(CNc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001170251898 1162325349 /nfs/dbraw/zinc/32/53/49/1162325349.db2.gz FRNLQUOJAMXUIO-UHFFFAOYSA-N 1 0 291.286 1.651 20 5 CDBDRO CNC(=O)[C@H](C)[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170315863 1162335790 /nfs/dbraw/zinc/33/57/90/1162335790.db2.gz YTGDJXMSICNKPC-UWVGGRQHSA-N 1 0 295.339 1.259 20 5 CDBDRO CNC(=O)CN(C)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170327203 1162337770 /nfs/dbraw/zinc/33/77/70/1162337770.db2.gz FRCRNCKTCTTZNJ-JTQLQIEISA-N 1 0 295.339 1.212 20 5 CDBDRO CC(C)(C)[NH2+]CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000051377340 1166711821 /nfs/dbraw/zinc/71/18/21/1166711821.db2.gz YQYRCIMDDIRHLT-UHFFFAOYSA-N 1 0 279.340 1.642 20 5 CDBDRO CC(C)(C)[NH2+]CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000051376087 1166712071 /nfs/dbraw/zinc/71/20/71/1166712071.db2.gz DJCQBEMZLRVIRM-UHFFFAOYSA-N 1 0 265.313 1.599 20 5 CDBDRO CC(C)CNC(=O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052942761 1166829799 /nfs/dbraw/zinc/82/97/99/1166829799.db2.gz YLRLMAKLTCZHTH-UHFFFAOYSA-N 1 0 265.313 1.457 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N[C@@]23CCC[C@@H]2[NH2+]CC3)n1 ZINC001155402824 1167159644 /nfs/dbraw/zinc/15/96/44/1167159644.db2.gz UVHRUPPZYDJREO-CMPLNLGQSA-N 1 0 263.301 1.390 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)cc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001155503199 1167201150 /nfs/dbraw/zinc/20/11/50/1167201150.db2.gz XAMPYPOKZHHULF-FTLITQJKSA-N 1 0 284.703 1.042 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c(F)c1 ZINC001155618519 1167260580 /nfs/dbraw/zinc/26/05/80/1167260580.db2.gz MIGMCCHXAZPHOG-RNCFNFMXSA-N 1 0 296.302 1.452 20 5 CDBDRO O=C(NC1C[NH2+]C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001574311572 1170946246 /nfs/dbraw/zinc/94/62/46/1170946246.db2.gz LHLFOLSBUFLDQT-UHFFFAOYSA-N 1 0 289.213 1.315 20 5 CDBDRO Cc1cc(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc([N+](=O)[O-])c1 ZINC001579631383 1172229473 /nfs/dbraw/zinc/22/94/73/1172229473.db2.gz QELXBDNYQQGFKT-PHIMTYICSA-N 1 0 290.323 1.586 20 5 CDBDRO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH2+][C@H]2C[C@H]21 ZINC001580569608 1172471056 /nfs/dbraw/zinc/47/10/56/1172471056.db2.gz LHEWCXWUIMMCMG-CMPLNLGQSA-N 1 0 295.726 1.363 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N(C1CCC1)C1C[NH2+]C1 ZINC001580574097 1172472253 /nfs/dbraw/zinc/47/22/53/1172472253.db2.gz UAUGMPOJGBAHMZ-UHFFFAOYSA-N 1 0 289.335 1.490 20 5 CDBDRO O=[N+]([O-])c1ccc2oc(CN3CC4(C3)CC[NH2+]C4)nc2c1 ZINC001580875616 1172557916 /nfs/dbraw/zinc/55/79/16/1172557916.db2.gz OTLSWICBUBKWOH-UHFFFAOYSA-N 1 0 288.307 1.531 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CN3CCC2CC3)cc1 ZINC000158615667 1178225214 /nfs/dbraw/zinc/22/52/14/1178225214.db2.gz VOXJVZORHGZDLO-LSDHHAIUSA-N 1 0 291.351 1.312 20 5 CDBDRO CC(C)C[C@@H](CO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158627928 1178225976 /nfs/dbraw/zinc/22/59/76/1178225976.db2.gz UDQWHXDLJQZSTB-JSGCOSHPSA-N 1 0 282.340 1.625 20 5 CDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877165911 711839656 /nfs/dbraw/zinc/83/96/56/711839656.db2.gz MRYKXJRNXPKOOD-QDZHIHTESA-N 1 0 273.292 1.181 20 5 CDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cn1cc([N+](=O)[O-])cn1 ZINC000795706010 711848108 /nfs/dbraw/zinc/84/81/08/711848108.db2.gz KFWBFBBBHNZZRR-NEPJUHHUSA-N 1 0 279.344 1.307 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000827706285 711874803 /nfs/dbraw/zinc/87/48/03/711874803.db2.gz KRTACKUDXPPUSS-SNVBAGLBSA-N 1 0 295.314 1.758 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702055534 711875600 /nfs/dbraw/zinc/87/56/00/711875600.db2.gz LXXSMLQIOZPRNG-UHFFFAOYSA-N 1 0 271.704 1.715 20 5 CDBDRO CC(C)([NH3+])Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000843191752 711880999 /nfs/dbraw/zinc/88/09/99/711880999.db2.gz MADIZIHJGFRIDE-UHFFFAOYSA-N 1 0 277.284 1.243 20 5 CDBDRO C[C@@H]([NH2+][C@@H](CO)CC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815598461 711896328 /nfs/dbraw/zinc/89/63/28/711896328.db2.gz VYAHRASCUXVPQZ-BXKDBHETSA-N 1 0 279.340 1.989 20 5 CDBDRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC000930372373 711908848 /nfs/dbraw/zinc/90/88/48/711908848.db2.gz KWCUZMPRSNUFNT-WCQYABFASA-N 1 0 280.324 1.273 20 5 CDBDRO C[C@@H]([NH2+]C[C@H]1COCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815561842 711921196 /nfs/dbraw/zinc/92/11/96/711921196.db2.gz RAXVJPJRFOKSRM-KOLCDFICSA-N 1 0 281.312 1.243 20 5 CDBDRO C[C@H](CCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[NH+](C)C ZINC000823921012 711954488 /nfs/dbraw/zinc/95/44/88/711954488.db2.gz LDISCMOFNNTDQG-SECBINFHSA-N 1 0 295.343 1.639 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC12CC[NH+](C)CC2 ZINC000889225912 711963887 /nfs/dbraw/zinc/96/38/87/711963887.db2.gz KNGBYBPEOYPLLB-UHFFFAOYSA-N 1 0 292.339 1.244 20 5 CDBDRO C[NH+](C)CCONC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000820989824 711967977 /nfs/dbraw/zinc/96/79/77/711967977.db2.gz BUWITVRYOLMBBF-QWHCGFSZSA-N 1 0 293.323 1.308 20 5 CDBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000159787138 711973309 /nfs/dbraw/zinc/97/33/09/711973309.db2.gz JJORARTZVJNIJG-GFCCVEGCSA-N 1 0 263.297 1.404 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000843454966 711983643 /nfs/dbraw/zinc/98/36/43/711983643.db2.gz DOYQRSSBPUNKLC-SECBINFHSA-N 1 0 280.328 1.128 20 5 CDBDRO C[C@H]([NH3+])CN(C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000863566166 711988684 /nfs/dbraw/zinc/98/86/84/711988684.db2.gz CZOZPQCGUFBPKZ-UWVGGRQHSA-N 1 0 280.328 1.201 20 5 CDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000715125753 712036351 /nfs/dbraw/zinc/03/63/51/712036351.db2.gz OBTJDXFMAMSVBI-WRXNHJIOSA-N 1 0 255.299 1.123 20 5 CDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000843345090 712041888 /nfs/dbraw/zinc/04/18/88/712041888.db2.gz RJBCDKXKBXVYIF-ZETCQYMHSA-N 1 0 296.283 1.231 20 5 CDBDRO CO[C@@H](C[NH3+])Cc1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000822723126 712067861 /nfs/dbraw/zinc/06/78/61/712067861.db2.gz QQCOEBUGSLOEDC-SNVBAGLBSA-N 1 0 292.295 1.469 20 5 CDBDRO CC(C)(CCO)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000227947380 712090523 /nfs/dbraw/zinc/09/05/23/712090523.db2.gz XHOAIXZDTIZNOE-ZDUSSCGKSA-N 1 0 282.340 1.626 20 5 CDBDRO C[C@@H](NC[C@@H]1CCCC[NH2+]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817949876 712142023 /nfs/dbraw/zinc/14/20/23/712142023.db2.gz OOSKNVDVRXPIBB-PWSUYJOCSA-N 1 0 278.356 1.970 20 5 CDBDRO C[C@@H](NC(=O)N(C)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000925236578 712152810 /nfs/dbraw/zinc/15/28/10/712152810.db2.gz GKOFDWCVXNHGPJ-LLVKDONJSA-N 1 0 294.355 1.859 20 5 CDBDRO O=[N+]([O-])CCN1CC[NH+](CCc2cccs2)CC1 ZINC000929336489 712214369 /nfs/dbraw/zinc/21/43/69/712214369.db2.gz BFGSNZQOQDQREM-UHFFFAOYSA-N 1 0 269.370 1.185 20 5 CDBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839711167 712226384 /nfs/dbraw/zinc/22/63/84/712226384.db2.gz ZYAQRPSAQLQDAA-YNEHKIRRSA-N 1 0 283.372 1.136 20 5 CDBDRO CC(C)(CCC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)[N+](=O)[O-] ZINC000847257755 712245618 /nfs/dbraw/zinc/24/56/18/712245618.db2.gz ZBICPNLGXSOHMV-STQMWFEESA-N 1 0 297.399 1.955 20 5 CDBDRO CCO[C@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819361774 712259204 /nfs/dbraw/zinc/25/92/04/712259204.db2.gz RUTXDIROYBAOOQ-YUTCNCBUSA-N 1 0 280.324 1.785 20 5 CDBDRO CC[N@H+](C)C[C@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886032686 712297704 /nfs/dbraw/zinc/29/77/04/712297704.db2.gz LNGUZTKFMDWFNX-GFCCVEGCSA-N 1 0 278.356 1.763 20 5 CDBDRO CC[N@@H+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000776276886 712307204 /nfs/dbraw/zinc/30/72/04/712307204.db2.gz KZPSQSBGVMEPHZ-WFASDCNBSA-N 1 0 293.367 1.654 20 5 CDBDRO C[NH+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000308676613 712339157 /nfs/dbraw/zinc/33/91/57/712339157.db2.gz PFFQWFQHCYIABZ-UHFFFAOYSA-N 1 0 283.303 1.804 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000931998794 712348474 /nfs/dbraw/zinc/34/84/74/712348474.db2.gz OYFQXNGALBPBHY-LLVKDONJSA-N 1 0 279.296 1.185 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702658031 712352349 /nfs/dbraw/zinc/35/23/49/712352349.db2.gz FMWRIGUOZUZKRF-APPZFPTMSA-N 1 0 283.715 1.810 20 5 CDBDRO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)cc1[N+](=O)[O-] ZINC000714035040 712389581 /nfs/dbraw/zinc/38/95/81/712389581.db2.gz DYDSEPNIFQAYHY-TZMCWYRMSA-N 1 0 280.324 1.221 20 5 CDBDRO C[NH+](C)CC1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000854724665 712403404 /nfs/dbraw/zinc/40/34/04/712403404.db2.gz YFCHKEXHPCXBJC-YVMONPNESA-N 1 0 289.335 1.628 20 5 CDBDRO COc1cc(C)c([C@H](C)[NH2+]CC[N+](=O)[O-])cc1OC ZINC000930197837 712409338 /nfs/dbraw/zinc/40/93/38/712409338.db2.gz WAMYHEOYVFVENR-JTQLQIEISA-N 1 0 268.313 1.940 20 5 CDBDRO C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000086470816 712443144 /nfs/dbraw/zinc/44/31/44/712443144.db2.gz ZFBNXFUBDZKWGV-NXEZZACHSA-N 1 0 267.304 1.916 20 5 CDBDRO C[C@H](CCCO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843079710 712452383 /nfs/dbraw/zinc/45/23/83/712452383.db2.gz LXOSGLJQSNSKHW-ZWNOBZJWSA-N 1 0 268.313 1.379 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886839382 712478420 /nfs/dbraw/zinc/47/84/20/712478420.db2.gz CTDMOUQRVDGLGU-FOGDFJRCSA-N 1 0 264.329 1.466 20 5 CDBDRO Cc1c(CNC[C@]2(O)CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000702587217 712479784 /nfs/dbraw/zinc/47/97/84/712479784.db2.gz MEHFAEIOYPCWNG-CQSZACIVSA-N 1 0 279.340 1.059 20 5 CDBDRO C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccccc1 ZINC000839460237 712510697 /nfs/dbraw/zinc/51/06/97/712510697.db2.gz DHGSTDSHTKMQLM-JHJVBQTASA-N 1 0 277.324 1.071 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1Cc1cccnc1[N+](=O)[O-] ZINC000923436883 712516133 /nfs/dbraw/zinc/51/61/33/712516133.db2.gz SXHDGOLQQTXPJJ-OUAUKWLOSA-N 1 0 264.329 1.561 20 5 CDBDRO C[C@H]([NH3+])CN(C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000861562386 712519129 /nfs/dbraw/zinc/51/91/29/712519129.db2.gz PUPSAIXMKYTIMS-UWVGGRQHSA-N 1 0 280.328 1.644 20 5 CDBDRO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000794711367 712709340 /nfs/dbraw/zinc/70/93/40/712709340.db2.gz MFINTGNBQDLMCK-MFKMUULPSA-N 1 0 268.313 1.331 20 5 CDBDRO C[C@]([NH3+])(C(=O)N[C@@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000867948489 1164886865 /nfs/dbraw/zinc/88/68/65/1164886865.db2.gz XKTZUMMHAYHDCP-ZWNOBZJWSA-N 1 0 295.364 1.390 20 5 CDBDRO CC(C)(O)[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000879963175 1166430962 /nfs/dbraw/zinc/43/09/62/1166430962.db2.gz YIEXQPBHOPKDAT-NSHDSACASA-N 1 0 282.344 1.274 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)C1CC1 ZINC000059490879 1167304605 /nfs/dbraw/zinc/30/46/05/1167304605.db2.gz FMAKBHHBQGUOFP-UHFFFAOYSA-N 1 0 292.339 1.461 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC001325427071 1167463198 /nfs/dbraw/zinc/46/31/98/1167463198.db2.gz ITLNODCUIBCQQL-SNVBAGLBSA-N 1 0 292.339 1.447 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)[C@@H]1CCOC1 ZINC001173215908 912297390 /nfs/dbraw/zinc/29/73/90/912297390.db2.gz AYPGYVYTOUUULV-KYOSRNDESA-N 1 0 294.351 1.513 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC1OCCO1 ZINC001173216308 912297042 /nfs/dbraw/zinc/29/70/42/912297042.db2.gz IQLDXTOHACIEFC-LLVKDONJSA-N 1 0 280.324 1.878 20 5 CDBDRO O=C(CC1CCC1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001125276282 893992555 /nfs/dbraw/zinc/99/25/55/893992555.db2.gz AFDDSNFVDMWQGD-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001021742832 895735112 /nfs/dbraw/zinc/73/51/12/895735112.db2.gz IZHOCOFDJSDULJ-TXEJJXNPSA-N 1 0 277.324 1.742 20 5 CDBDRO CCC[NH2+]CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000054266075 906550639 /nfs/dbraw/zinc/55/06/39/906550639.db2.gz CPULYTDTDQFZTA-UHFFFAOYSA-N 1 0 266.301 1.716 20 5 CDBDRO CC1(C)[C@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000128462856 909578965 /nfs/dbraw/zinc/57/89/65/909578965.db2.gz OTLLJEMWFUZVGC-NEPJUHHUSA-N 1 0 268.288 1.983 20 5 CDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000715122403 909810229 /nfs/dbraw/zinc/81/02/29/909810229.db2.gz POAUWGCMWZXBNW-OTSSQURYSA-N 1 0 283.715 1.715 20 5 CDBDRO CSc1ccc(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000715141170 909841432 /nfs/dbraw/zinc/84/14/32/909841432.db2.gz KWGORVPYHGMWTK-WAAGHKOSSA-N 1 0 295.364 1.784 20 5 CDBDRO CN1CC[C@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000922574476 921676277 /nfs/dbraw/zinc/67/62/77/921676277.db2.gz NWFDTLISHWSKQP-AGLBCWCQSA-N 1 0 261.325 1.902 20 5 CDBDRO CN1CC([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172897979 912034866 /nfs/dbraw/zinc/03/48/66/912034866.db2.gz FPXGZDMIOVXMPN-ZDUSSCGKSA-N 1 0 275.352 1.746 20 5 CDBDRO NC(=O)C1C[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172914851 912052300 /nfs/dbraw/zinc/05/23/00/912052300.db2.gz KLBZHJWVEPYUCR-CYBMUJFWSA-N 1 0 289.335 1.259 20 5 CDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc[nH]c1 ZINC001127896892 918966390 /nfs/dbraw/zinc/96/63/90/918966390.db2.gz JJXWESIBJAZNAU-UHFFFAOYSA-N 1 0 288.307 1.443 20 5 CDBDRO CN(CCC[NH3+])C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700608117 922250132 /nfs/dbraw/zinc/25/01/32/922250132.db2.gz FJJGJMZXDHDEFX-UHFFFAOYSA-N 1 0 271.704 1.669 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](Nc2c(F)c([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001162390099 922462807 /nfs/dbraw/zinc/46/28/07/922462807.db2.gz CBQGHBUWCVBEAQ-JGVFFNPUSA-N 1 0 270.264 1.049 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702051152 922465436 /nfs/dbraw/zinc/46/54/36/922465436.db2.gz RJZOGGZKVOKNMK-ZCFIWIBFSA-N 1 0 257.677 1.325 20 5 CDBDRO O=C(N[C@H]1CC[C@H]([NH2+]CC2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034642999 922700936 /nfs/dbraw/zinc/70/09/36/922700936.db2.gz IWXWYLKZMURCGW-FDYHWXHSSA-N 1 0 281.356 1.079 20 5 CDBDRO COc1cc([N+](=O)[O-])c(-n2nccc2C[NH3+])cc1F ZINC001162593844 922793746 /nfs/dbraw/zinc/79/37/46/922793746.db2.gz RORASTYWLOKCJQ-UHFFFAOYSA-N 1 0 266.232 1.387 20 5 CDBDRO CC(C)[C@@H]([NH3+])CCN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923296382 923720492 /nfs/dbraw/zinc/72/04/92/923720492.db2.gz GWAXZXKZOZZAEP-GJZGRUSLSA-N 1 0 295.383 1.933 20 5 CDBDRO [NH3+]C1CCN(c2cnc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001166661470 925217541 /nfs/dbraw/zinc/21/75/41/925217541.db2.gz CKRXMYQJTGJGKN-UHFFFAOYSA-N 1 0 273.296 1.466 20 5 CDBDRO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1 ZINC000842615312 937065034 /nfs/dbraw/zinc/06/50/34/937065034.db2.gz LMQLQJWZPQLWGQ-WCQYABFASA-N 1 0 280.328 1.640 20 5 CDBDRO C[C@H](C[C@H](C)O)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843078489 937110428 /nfs/dbraw/zinc/11/04/28/937110428.db2.gz BEIJRKWVEWPNSI-NRUUGDAUSA-N 1 0 268.313 1.377 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCCCCC[NH3+])c1 ZINC000843509928 937157708 /nfs/dbraw/zinc/15/77/08/937157708.db2.gz BVSBONGNEOOJED-UHFFFAOYSA-N 1 0 295.339 1.852 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN(C)OC ZINC000850478034 927436107 /nfs/dbraw/zinc/43/61/07/927436107.db2.gz MUULDTPRTVLEEH-SNVBAGLBSA-N 1 0 283.328 1.747 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1-n1nnnc1C[NH3+] ZINC001168922816 927542734 /nfs/dbraw/zinc/54/27/34/927542734.db2.gz BFELVILDTAYAFP-UHFFFAOYSA-N 1 0 292.299 1.125 20 5 CDBDRO [NH3+]CCN(c1cccnc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168976999 927562734 /nfs/dbraw/zinc/56/27/34/927562734.db2.gz GRJKQYRXMCZKNL-RYUDHWBXSA-N 1 0 264.329 1.292 20 5 CDBDRO [NH3+]C[C@@H]1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc21 ZINC001168985328 927575121 /nfs/dbraw/zinc/57/51/21/927575121.db2.gz DHZFOYWUIJDCNH-YNEHKIRRSA-N 1 0 275.352 1.994 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2nccs2)C1 ZINC001168958750 927580219 /nfs/dbraw/zinc/58/02/19/927580219.db2.gz OZVJSIJYEFGFMA-VHSXEESVSA-N 1 0 255.343 1.721 20 5 CDBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1nnc2ccccn21 ZINC001168960709 927582985 /nfs/dbraw/zinc/58/29/85/927582985.db2.gz GJAJNTZBSODOKK-SRVKXCTJSA-N 1 0 289.339 1.825 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cnc3ccccn23)C1 ZINC001168962847 927585114 /nfs/dbraw/zinc/58/51/14/927585114.db2.gz NDQMTPULRLXODT-VXGBXAGGSA-N 1 0 274.324 1.869 20 5 CDBDRO CC(C)C(=O)N1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168968102 927591970 /nfs/dbraw/zinc/59/19/70/927591970.db2.gz VUTULSIYXHVLNO-JSGCOSHPSA-N 1 0 297.399 1.668 20 5 CDBDRO CSCC[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)(C)O ZINC001168972391 927596094 /nfs/dbraw/zinc/59/60/94/927596094.db2.gz MTYHPEFRZROBTF-GRYCIOLGSA-N 1 0 290.429 1.914 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](CO)c2cccs2)C1 ZINC001168972709 927597077 /nfs/dbraw/zinc/59/70/77/927597077.db2.gz AUGRVJMEHPTTHO-VWYCJHECSA-N 1 0 270.354 1.817 20 5 CDBDRO COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)nc1 ZINC001168991377 927598825 /nfs/dbraw/zinc/59/88/25/927598825.db2.gz GMZHJQDFDYOKJA-ZYHUDNBSSA-N 1 0 293.323 1.403 20 5 CDBDRO CN(C)C(=O)C1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1 ZINC001169002292 927605205 /nfs/dbraw/zinc/60/52/05/927605205.db2.gz KFCCHEGWMLVTMN-WDEREUQCSA-N 1 0 269.345 1.032 20 5 CDBDRO CN(C)C(=O)C1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1 ZINC001169002291 927605438 /nfs/dbraw/zinc/60/54/38/927605438.db2.gz KFCCHEGWMLVTMN-QWRGUYRKSA-N 1 0 269.345 1.032 20 5 CDBDRO CCN(CC)CC[N@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006022 927608971 /nfs/dbraw/zinc/60/89/71/927608971.db2.gz FJTVKSDQABLALB-OLZOCXBDSA-N 1 0 257.378 1.705 20 5 CDBDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@@]1(C)O ZINC001169006955 927610872 /nfs/dbraw/zinc/61/08/72/927610872.db2.gz KOLVKFYOMRLKSJ-XJFOESAGSA-N 1 0 270.373 1.915 20 5 CDBDRO COCC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169007221 927610933 /nfs/dbraw/zinc/61/09/33/927610933.db2.gz LWVCWIMJJSNFHE-STQMWFEESA-N 1 0 256.346 1.790 20 5 CDBDRO CCOc1nccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168990002 927629387 /nfs/dbraw/zinc/62/93/87/927629387.db2.gz ALYBHCOPUHLMFH-MNOVXSKESA-N 1 0 280.328 1.410 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](CCO)C2)C1 ZINC001169034981 927642354 /nfs/dbraw/zinc/64/23/54/927642354.db2.gz JLZVXPFOTAZVDK-JHJVBQTASA-N 1 0 256.346 1.526 20 5 CDBDRO CCOC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039889 927653509 /nfs/dbraw/zinc/65/35/09/927653509.db2.gz VJQGJFYWLCCTAO-WOPDTQHZSA-N 1 0 270.329 1.459 20 5 CDBDRO CC(C)(O)CCN1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169042811 927656897 /nfs/dbraw/zinc/65/68/97/927656897.db2.gz GALPFZQHVHJFSQ-KBPBESRZSA-N 1 0 299.415 1.210 20 5 CDBDRO O=C1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]12 ZINC001169057948 927676041 /nfs/dbraw/zinc/67/60/41/927676041.db2.gz ZIBRYQDQRMZTER-LOWDOPEQSA-N 1 0 266.341 1.733 20 5 CDBDRO COC(=O)[C@H](C)C[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579243 927754068 /nfs/dbraw/zinc/75/40/68/927754068.db2.gz KGBNIQBQIZFRTI-ZWNOBZJWSA-N 1 0 296.323 1.369 20 5 CDBDRO C[NH+](C)CC1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000853651939 928066940 /nfs/dbraw/zinc/06/69/40/928066940.db2.gz VEDBODQPWWVNGD-UHFFFAOYSA-N 1 0 280.284 1.501 20 5 CDBDRO COc1ccc(NCC[C@H]2CCC[NH2+]2)nc1[N+](=O)[O-] ZINC001169558714 928173744 /nfs/dbraw/zinc/17/37/44/928173744.db2.gz ORQVIFSXSFWGFK-SECBINFHSA-N 1 0 266.301 1.552 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1N[C@H]1CCCOC1)C[NH2+]C2 ZINC001169665422 928313962 /nfs/dbraw/zinc/31/39/62/928313962.db2.gz CCIVSSOOFHMEMD-NSHDSACASA-N 1 0 263.297 1.789 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ncnc1NCC12CC[NH+](CC1)CC2 ZINC001169793644 928443166 /nfs/dbraw/zinc/44/31/66/928443166.db2.gz VQGUDZUWSQWCIS-UHFFFAOYSA-N 1 0 297.746 1.936 20 5 CDBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000804364623 928826656 /nfs/dbraw/zinc/82/66/56/928826656.db2.gz VZCKUNSCFBGZNK-RKDXNWHRSA-N 1 0 278.268 1.159 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000783745303 937279754 /nfs/dbraw/zinc/27/97/54/937279754.db2.gz VJPGZOBSIHKTGG-YQRAZLAVSA-N 1 0 274.320 1.922 20 5 CDBDRO O=[N+]([O-])c1cc(NC[C@H]2COCC[NH2+]2)cc2cccnc21 ZINC001170044034 929133167 /nfs/dbraw/zinc/13/31/67/929133167.db2.gz JOEDPAWVIPMXDP-LBPRGKRZSA-N 1 0 288.307 1.543 20 5 CDBDRO CC[N@H+](C)C[C@H]1CCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882034361 929935580 /nfs/dbraw/zinc/93/55/80/929935580.db2.gz RNMRKXWHSWUSJM-SNVBAGLBSA-N 1 0 282.319 1.907 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@@H]2C[NH2+]C[C@@H]2CO)cc2cc[nH]c21 ZINC001170777423 929944100 /nfs/dbraw/zinc/94/41/00/929944100.db2.gz CHKGJAYIESXHMN-MWLCHTKSSA-N 1 0 276.296 1.068 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000882483384 930010542 /nfs/dbraw/zinc/01/05/42/930010542.db2.gz ZFGOXLKOWXDMCE-GFCCVEGCSA-N 1 0 293.323 1.184 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2C[NH2+]C2)c1C ZINC000884241699 930495144 /nfs/dbraw/zinc/49/51/44/930495144.db2.gz YPAOPFSXZPBJLA-UHFFFAOYSA-N 1 0 263.297 1.161 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001170866324 930525219 /nfs/dbraw/zinc/52/52/19/930525219.db2.gz VKWNUCCYRVTLQX-LBPRGKRZSA-N 1 0 264.285 1.545 20 5 CDBDRO C[C@@H](N[C@H](C[NH3+])C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817959741 930646002 /nfs/dbraw/zinc/64/60/02/930646002.db2.gz IBRQXXBMRTWSMK-PRHODGIISA-N 1 0 264.329 1.565 20 5 CDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1NCC[C@@H](C)[NH3+] ZINC001170890934 930685624 /nfs/dbraw/zinc/68/56/24/930685624.db2.gz MACCULSFQLITTE-SSDOTTSWSA-N 1 0 282.300 1.234 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818358366 930709394 /nfs/dbraw/zinc/70/93/94/930709394.db2.gz XTIIGSHHSVHLOV-HNBZJPLGSA-N 1 0 251.286 1.351 20 5 CDBDRO C[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)O1 ZINC000819359475 930793759 /nfs/dbraw/zinc/79/37/59/930793759.db2.gz VWDGIHBDHNIGCJ-LERXQTSPSA-N 1 0 280.324 1.785 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(Cc3cccnc3[N+](=O)[O-])CC[C@@H]21 ZINC000886044533 930795532 /nfs/dbraw/zinc/79/55/32/930795532.db2.gz ZFKJWNMVPJHFDG-JSGCOSHPSA-N 1 0 290.367 1.906 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886218021 930829725 /nfs/dbraw/zinc/82/97/25/930829725.db2.gz MMFMGXMDEUQALX-LBPRGKRZSA-N 1 0 264.329 1.516 20 5 CDBDRO CC[C@H]1C[N@H+](CC)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886234602 930833865 /nfs/dbraw/zinc/83/38/65/930833865.db2.gz QYDCOYAPMHXVQC-ZDUSSCGKSA-N 1 0 278.356 1.906 20 5 CDBDRO COC1([C@@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])CCOCC1 ZINC000886252085 930839379 /nfs/dbraw/zinc/83/93/79/930839379.db2.gz SNXAQDHBLSUUJQ-LLVKDONJSA-N 1 0 295.339 1.664 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000886568391 930906567 /nfs/dbraw/zinc/90/65/67/930906567.db2.gz IVGNNTJGOIBTTJ-MBNYWOFBSA-N 1 0 294.376 1.923 20 5 CDBDRO CC1(C)C[NH2+]CC[C@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886839958 930972968 /nfs/dbraw/zinc/97/29/68/930972968.db2.gz PPFWIIDQWKTKTP-LLVKDONJSA-N 1 0 264.329 1.468 20 5 CDBDRO C[NH+](C)C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000749391186 931501391 /nfs/dbraw/zinc/50/13/91/931501391.db2.gz BJVRUMFSSVHPMH-NSHDSACASA-N 1 0 264.329 1.768 20 5 CDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](C)C[NH+](C)C ZINC000843895964 931515737 /nfs/dbraw/zinc/51/57/37/931515737.db2.gz YGQLKMYPOQUWSM-VIFPVBQESA-N 1 0 297.330 1.970 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001155033250 937623946 /nfs/dbraw/zinc/62/39/46/937623946.db2.gz FFMTWPPLVDDMFH-IUCAKERBSA-N 1 0 291.286 1.650 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NCCc1ccccc1[N+](=O)[O-] ZINC000925517103 932897028 /nfs/dbraw/zinc/89/70/28/932897028.db2.gz YVVBQPJNJXEWRL-WCQYABFASA-N 1 0 263.341 1.867 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001155188219 937646457 /nfs/dbraw/zinc/64/64/57/937646457.db2.gz WQWCXMDVFJDNHY-HTQZYQBOSA-N 1 0 261.285 1.633 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)nc2[nH]ccc21 ZINC001155638073 937657737 /nfs/dbraw/zinc/65/77/37/937657737.db2.gz APILRHMKGOVHDY-PTRXPTGYSA-N 1 0 289.295 1.012 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000158624024 934297112 /nfs/dbraw/zinc/29/71/12/934297112.db2.gz BFELAESUXCESDZ-FZMZJTMJSA-N 1 0 280.324 1.644 20 5 CDBDRO C[C@@]1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000158663473 934297747 /nfs/dbraw/zinc/29/77/47/934297747.db2.gz QLMNMESFXQVUIG-KGLIPLIRSA-N 1 0 280.324 1.787 20 5 CDBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000796201208 934983234 /nfs/dbraw/zinc/98/32/34/934983234.db2.gz GCZPHOHFAJUSPM-KBPBESRZSA-N 1 0 280.324 1.739 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(F)(F)CC2)n1 ZINC000796549978 935341112 /nfs/dbraw/zinc/34/11/12/935341112.db2.gz JPQCTGDTCHDPPZ-UHFFFAOYSA-N 1 0 260.244 1.522 20 5 CDBDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)OCCC[N+](=O)[O-] ZINC001123001607 936101541 /nfs/dbraw/zinc/10/15/41/936101541.db2.gz YGMXWSIFDNCGQO-LLVKDONJSA-N 1 0 258.318 1.461 20 5 CDBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[NH+](C(C)C)CC1 ZINC001121697902 937880440 /nfs/dbraw/zinc/88/04/40/937880440.db2.gz DNYHGDFTSYJIDK-LLVKDONJSA-N 1 0 296.375 1.166 20 5 CDBDRO CC(C)[N@H+](C)[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001157022195 938446658 /nfs/dbraw/zinc/44/66/58/938446658.db2.gz VTTKNEGXXCYCFI-SNVBAGLBSA-N 1 0 279.344 1.491 20 5 CDBDRO Cc1nc(NC(=N)SCC[NH3+])ccc1[N+](=O)[O-] ZINC001157128493 938457142 /nfs/dbraw/zinc/45/71/42/938457142.db2.gz PDPGAUYNTIPFBO-UHFFFAOYSA-N 1 0 255.303 1.337 20 5 CDBDRO O=[N+]([O-])c1cc(-n2ccc3c2CC[NH2+]C3)nc2[nH]ccc21 ZINC001157449513 938493490 /nfs/dbraw/zinc/49/34/90/938493490.db2.gz QQVVKYOWEPYBAX-UHFFFAOYSA-N 1 0 283.291 1.908 20 5 CDBDRO CCC1(Nc2nc(C)cc(C)c2[N+](=O)[O-])C[NH2+]C1 ZINC001157784704 938545208 /nfs/dbraw/zinc/54/52/08/938545208.db2.gz KFQCKAIRFPLYFH-UHFFFAOYSA-N 1 0 250.302 1.771 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@](F)(C[NH3+])C1 ZINC001157808394 938549031 /nfs/dbraw/zinc/54/90/31/938549031.db2.gz FXCKUNWFCWMRQU-LLVKDONJSA-N 1 0 254.265 1.175 20 5 CDBDRO Cc1ccnc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)c1[N+](=O)[O-] ZINC001157980528 938571553 /nfs/dbraw/zinc/57/15/53/938571553.db2.gz XWAQIMMSQCWPLG-SNVBAGLBSA-N 1 0 273.296 1.300 20 5 CDBDRO COc1nc(N(C(C)C)[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001158021757 938575415 /nfs/dbraw/zinc/57/54/15/938575415.db2.gz KOVCFIKEFMCMGW-JTQLQIEISA-N 1 0 280.328 1.575 20 5 CDBDRO CC(C)N(c1ncc([N+](=O)[O-])cc1F)[C@H]1CC[NH2+]C1 ZINC001158025288 938576095 /nfs/dbraw/zinc/57/60/95/938576095.db2.gz JYQXOJIQGXYJKA-VIFPVBQESA-N 1 0 268.292 1.706 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001158129039 938585558 /nfs/dbraw/zinc/58/55/58/938585558.db2.gz LSEBNPOAKGSQRR-UHFFFAOYSA-N 1 0 282.691 1.034 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1nccc2ccc([N+](=O)[O-])cc21 ZINC001158131565 938586181 /nfs/dbraw/zinc/58/61/81/938586181.db2.gz XZLDRFJAXNYHCM-UHFFFAOYSA-N 1 0 298.306 1.533 20 5 CDBDRO CSc1nc(Cl)nc(NCC[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC001159773021 938750725 /nfs/dbraw/zinc/75/07/25/938750725.db2.gz RAPFBLBAFHMDTQ-RXMQYKEDSA-N 1 0 291.764 1.909 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1Nc1ccc(C[NH3+])nc1 ZINC001160402499 938784613 /nfs/dbraw/zinc/78/46/13/938784613.db2.gz RXYCRMKQTUKZCF-UHFFFAOYSA-N 1 0 275.268 1.134 20 5 CDBDRO [NH3+]C1(c2cccnc2)CCN(c2cc([N+](=O)[O-])ccn2)CC1 ZINC001161581532 938914183 /nfs/dbraw/zinc/91/41/83/938914183.db2.gz VDXIRCMNVCDHNC-UHFFFAOYSA-N 1 0 299.334 1.839 20 5 CDBDRO CC[N+](C)(C)Cc1ccccc1NCCNC(C)=O ZINC001161658299 938917813 /nfs/dbraw/zinc/91/78/13/938917813.db2.gz RAVDHFAIGAIUQD-UHFFFAOYSA-O 1 0 264.393 1.831 20 5 CDBDRO CC(C)(C)[NH+]1CC(Nc2cccc([N+](=O)[O-])n2)C1 ZINC001162221717 938963826 /nfs/dbraw/zinc/96/38/26/938963826.db2.gz SUJAZDBZEJCOTD-UHFFFAOYSA-N 1 0 250.302 1.884 20 5 CDBDRO [NH3+]Cc1cn(-c2c(Cl)nccc2[N+](=O)[O-])cn1 ZINC001162297204 938973142 /nfs/dbraw/zinc/97/31/42/938973142.db2.gz WNPUUIWKCZLUAM-UHFFFAOYSA-N 1 0 253.649 1.288 20 5 CDBDRO CCOc1nc(N[C@H]2C[C@@](C)([NH3+])C2)ccc1[N+](=O)[O-] ZINC001162328582 939024789 /nfs/dbraw/zinc/02/47/89/939024789.db2.gz GIVCPKQHANEBGE-LYWQIFSTSA-N 1 0 266.301 1.680 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](Nc2cc([N+](=O)[O-])c3nncn3c2)C1 ZINC001162399519 939045289 /nfs/dbraw/zinc/04/52/89/939045289.db2.gz BLMYYTFEGKSXJZ-BDAKNGLRSA-N 1 0 276.300 1.319 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ncc1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162476234 939063800 /nfs/dbraw/zinc/06/38/00/939063800.db2.gz SMDABUZSEREINS-BQBZGAKWSA-N 1 0 274.683 1.755 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001162666587 939110470 /nfs/dbraw/zinc/11/04/70/939110470.db2.gz IBXASAFYFYRVKP-RNFRBKRXSA-N 1 0 272.692 1.044 20 5 CDBDRO CCOC(=O)c1ccc(N[C@@H]2CC[NH2+][C@@H]2C)c([N+](=O)[O-])c1 ZINC001162676803 939113095 /nfs/dbraw/zinc/11/30/95/939113095.db2.gz WDKMRROMEMJDPA-MWLCHTKSSA-N 1 0 293.323 1.934 20 5 CDBDRO Cc1ccnc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)c1[N+](=O)[O-] ZINC001162792214 939141197 /nfs/dbraw/zinc/14/11/97/939141197.db2.gz GIJRCDMLHJSCCG-OUAUKWLOSA-N 1 0 260.297 1.484 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1N[C@@H]1C=C[C@H]2C[NH2+]C[C@H]21 ZINC001162795338 939142913 /nfs/dbraw/zinc/14/29/13/939142913.db2.gz VCMUOVBSIJNDFI-FXBDTBDDSA-N 1 0 264.260 1.315 20 5 CDBDRO [NH3+][C@H]1COC[C@H]1Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001162921400 939162032 /nfs/dbraw/zinc/16/20/32/939162032.db2.gz ZTRFUXIQSIYGED-WCBMZHEXSA-N 1 0 291.229 1.752 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)nc1N[C@@H]1COCCC12C[NH2+]C2 ZINC001163074381 939191122 /nfs/dbraw/zinc/19/11/22/939191122.db2.gz VHENYLRTQTYTCU-SECBINFHSA-N 1 0 298.730 1.434 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)cnc1F ZINC001163328808 939249192 /nfs/dbraw/zinc/24/91/92/939249192.db2.gz RVBFKMPKSQAITJ-TVQRCGJNSA-N 1 0 296.302 1.452 20 5 CDBDRO CC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001163771103 939326227 /nfs/dbraw/zinc/32/62/27/939326227.db2.gz FBSLXGFTCGSHLT-UHFFFAOYSA-N 1 0 295.299 1.430 20 5 CDBDRO COc1nc(N[C@@H](C)C[NH+](C)C)nc(C)c1[N+](=O)[O-] ZINC001163774095 939328184 /nfs/dbraw/zinc/32/81/84/939328184.db2.gz YPNLBPOJNXAZDS-ZETCQYMHSA-N 1 0 269.305 1.064 20 5 CDBDRO Cc1cnc(N2C[C@H](C)CC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001164062555 939403278 /nfs/dbraw/zinc/40/32/78/939403278.db2.gz MFDLSGOIANCAII-KOLCDFICSA-N 1 0 264.329 1.862 20 5 CDBDRO CCOc1nc(-n2cnc3c2C[NH2+]CC3)ccc1[N+](=O)[O-] ZINC001164316704 939453414 /nfs/dbraw/zinc/45/34/14/939453414.db2.gz NCHNGJLIBUOCJV-UHFFFAOYSA-N 1 0 289.295 1.220 20 5 CDBDRO [NH3+]CCONc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001164423686 939472613 /nfs/dbraw/zinc/47/26/13/939472613.db2.gz JERPWYAKLPNZAP-UHFFFAOYSA-N 1 0 294.080 1.799 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)n1 ZINC001165182367 939521222 /nfs/dbraw/zinc/52/12/22/939521222.db2.gz BRXLWGPLRPOPIA-WFASDCNBSA-N 1 0 290.367 1.995 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1-n1ncc2c1CC[NH2+]C2 ZINC001165218194 939526057 /nfs/dbraw/zinc/52/60/57/939526057.db2.gz JNQOATYFAVRPFJ-UHFFFAOYSA-N 1 0 279.687 1.475 20 5 CDBDRO O=[N+]([O-])c1cc(-n2ncc3c2CC[NH2+]C3)nc2[nH]ccc21 ZINC001165220721 939527245 /nfs/dbraw/zinc/52/72/45/939527245.db2.gz ZAHNQPCSJSCVLC-UHFFFAOYSA-N 1 0 284.279 1.303 20 5 CDBDRO Cc1nc(N2CCC(F)(C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001165258993 939535188 /nfs/dbraw/zinc/53/51/88/939535188.db2.gz AKATVFIICSPCKL-UHFFFAOYSA-N 1 0 268.292 1.565 20 5 CDBDRO Cc1cc(Cl)nc(N2CCOCC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001165286435 939540262 /nfs/dbraw/zinc/54/02/62/939540262.db2.gz QFLLKIHIRJFWSZ-UHFFFAOYSA-N 1 0 298.730 1.130 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(N2CC[C@@H]3[NH2+]CC[C@H]32)nc1Cl ZINC001165296860 939542452 /nfs/dbraw/zinc/54/24/52/939542452.db2.gz YAHGJAXRIMPBJQ-DTWKUNHWSA-N 1 0 282.731 1.892 20 5 CDBDRO CCOc1nc(N2CC[C@@H]3[NH2+]CC[C@H]32)ccc1[N+](=O)[O-] ZINC001165300047 939542959 /nfs/dbraw/zinc/54/29/59/939542959.db2.gz WZYJNYIYXKHPCY-VHSXEESVSA-N 1 0 278.312 1.329 20 5 CDBDRO [NH3+][C@H]1[C@H]2CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)C[C@@H]12 ZINC001165386095 939555582 /nfs/dbraw/zinc/55/55/82/939555582.db2.gz ZQMZALFNVJJSJG-QHBPRCKVSA-N 1 0 297.318 1.445 20 5 CDBDRO O=[N+]([O-])c1ccc2ncc(N3CCC[C@H]4[NH2+]C[C@H]43)nc2c1 ZINC001165389224 939556808 /nfs/dbraw/zinc/55/68/08/939556808.db2.gz FRUDZNHTALSSIY-DGCLKSJQSA-N 1 0 285.307 1.479 20 5 CDBDRO CC(C)[NH+]1CCC(CNc2nccnc2[N+](=O)[O-])CC1 ZINC001166594467 939617374 /nfs/dbraw/zinc/61/73/74/939617374.db2.gz PGRVUWXTTLNZBJ-UHFFFAOYSA-N 1 0 279.344 1.917 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N(C)C[C@@H]1CC[NH2+]C1 ZINC001166955253 939658869 /nfs/dbraw/zinc/65/88/69/939658869.db2.gz TXOZQGLOZQTQPD-SNVBAGLBSA-N 1 0 250.302 1.344 20 5 CDBDRO Cc1cnc(N2CC[C@H]([NH3+])C(F)(F)C2)c([N+](=O)[O-])c1 ZINC001166959484 939660385 /nfs/dbraw/zinc/66/03/85/939660385.db2.gz HWMCOJDJUYEVHS-VIFPVBQESA-N 1 0 272.255 1.471 20 5 CDBDRO CCN(c1ncc(C)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000090692630 940689112 /nfs/dbraw/zinc/68/91/12/940689112.db2.gz JSVVZMSLWFNLGO-LLVKDONJSA-N 1 0 264.329 1.877 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401222259 940865656 /nfs/dbraw/zinc/86/56/56/940865656.db2.gz VGQXUVRUWPEMFJ-DTWKUNHWSA-N 1 0 254.265 1.811 20 5 CDBDRO [NH3+][C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C12CCC2 ZINC000404622431 940966258 /nfs/dbraw/zinc/96/62/58/940966258.db2.gz ATCXLNFXCDVGPG-RKDXNWHRSA-N 1 0 281.337 1.656 20 5 CDBDRO C[N@@H+]1[C@@H]2C[C@@H](OCc3ccc([N+](=O)[O-])cc3)[C@H]1CC(=O)C2 ZINC001222790806 941634824 /nfs/dbraw/zinc/63/48/24/941634824.db2.gz CUQIHOLXSHXRPL-NWANDNLSSA-N 1 0 290.319 1.916 20 5 CDBDRO C[N@@H+]1CCC[C@@H](OCc2ccc([N+](=O)[O-])nc2)C1 ZINC001224108717 941720579 /nfs/dbraw/zinc/72/05/79/941720579.db2.gz JWNYICPVVVOWFA-LLVKDONJSA-N 1 0 251.286 1.601 20 5 CDBDRO COC(=O)[C@@H](Cc1ccc(F)cc1)OCC[N+](C)(C)C ZINC001224771574 941790267 /nfs/dbraw/zinc/79/02/67/941790267.db2.gz OERYTQYUSBQQBF-CQSZACIVSA-N 1 0 284.351 1.633 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccnc(C(F)(F)F)n1 ZINC001225834332 941918589 /nfs/dbraw/zinc/91/85/89/941918589.db2.gz VTBFWNQKSKCQCW-MRVPVSSYSA-N 1 0 264.271 1.969 20 5 CDBDRO Cc1ccc(F)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225985213 941937448 /nfs/dbraw/zinc/93/74/48/941937448.db2.gz AVKIPORHFRRUHS-GFCCVEGCSA-N 1 0 270.324 1.497 20 5 CDBDRO COC(=O)c1ccccc1O[C@H](C)C[N+](C)(C)C ZINC001227600282 942193195 /nfs/dbraw/zinc/19/31/95/942193195.db2.gz ODOGFHOUWJYQSA-LLVKDONJSA-N 1 0 252.334 1.947 20 5 CDBDRO COCC[NH+]1CCC(Oc2cncc([N+](=O)[O-])c2)CC1 ZINC001227990388 942253337 /nfs/dbraw/zinc/25/33/37/942253337.db2.gz LRHXHMANCIVFAI-UHFFFAOYSA-N 1 0 281.312 1.479 20 5 CDBDRO COC(=O)Cc1ccccc1O[C@@H](C)C[N+](C)(C)C ZINC001228268210 942286684 /nfs/dbraw/zinc/28/66/84/942286684.db2.gz AYJMIENLBFKTRJ-LBPRGKRZSA-N 1 0 266.361 1.876 20 5 CDBDRO COC(=O)c1cc(O[C@@H](C)C[N+](C)(C)C)cc([N+](=O)[O-])c1 ZINC001228772191 942374288 /nfs/dbraw/zinc/37/42/88/942374288.db2.gz VSUNESGVRJOKTG-JTQLQIEISA-N 1 0 297.331 1.855 20 5 CDBDRO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@H](C)C[NH+](C)C ZINC001230246497 942595022 /nfs/dbraw/zinc/59/50/22/942595022.db2.gz MQFMLWPKMYGUKM-SECBINFHSA-N 1 0 281.312 1.882 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(C2CC2)cc1 ZINC001230255899 942595693 /nfs/dbraw/zinc/59/56/93/942595693.db2.gz OJCLQZIJUGNPQM-CQSZACIVSA-N 1 0 278.372 1.927 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cc2n[nH]cc2cc1[N+](=O)[O-] ZINC001230601645 942655353 /nfs/dbraw/zinc/65/53/53/942655353.db2.gz PHXDRHJTUOVAGC-SECBINFHSA-N 1 0 279.320 1.945 20 5 CDBDRO Cc1ccnc([N+](=O)[O-])c1O[C@H]1C[NH+]2CCC1CC2 ZINC001233556444 943616077 /nfs/dbraw/zinc/61/60/77/943616077.db2.gz MIVRPJZWDPMYSC-NSHDSACASA-N 1 0 263.297 1.771 20 5 CDBDRO C[C@H](C[NH+]1CCCCC1)Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001262678874 943666999 /nfs/dbraw/zinc/66/69/99/943666999.db2.gz QPUKHZNRMXGPHY-SNVBAGLBSA-N 1 0 279.344 1.858 20 5 CDBDRO C[N@@H+]1CCC[C@@]2(CCN(c3cc(N)c([N+](=O)[O-])cn3)C2)C1 ZINC001262697608 943673741 /nfs/dbraw/zinc/67/37/41/943673741.db2.gz SMPXLNCMWNQTKG-CQSZACIVSA-N 1 0 291.355 1.494 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[C@@H]1C[NH3+] ZINC001263214898 943791925 /nfs/dbraw/zinc/79/19/25/943791925.db2.gz XULXPERYNMXLOI-VHSXEESVSA-N 1 0 295.314 1.791 20 5 CDBDRO Cc1nc(Cl)nc(O[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000380730462 943875973 /nfs/dbraw/zinc/87/59/73/943875973.db2.gz IYHXRHZAKRMETK-LURJTMIESA-N 1 0 274.708 1.676 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC001261460871 946128290 /nfs/dbraw/zinc/12/82/90/946128290.db2.gz RGKHVNCIKNWJNK-SNVBAGLBSA-N 1 0 292.339 1.508 20 5 CDBDRO Cc1nnc(C[NH3+])n1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254551061 947522849 /nfs/dbraw/zinc/52/28/49/947522849.db2.gz WPLOPEFPROMKFR-SECBINFHSA-N 1 0 275.312 1.757 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(C)(CO)C1 ZINC001254553088 947523177 /nfs/dbraw/zinc/52/31/77/947523177.db2.gz RWYRPEXYYNYADD-LLVKDONJSA-N 1 0 264.325 1.840 20 5 CDBDRO CNC(=O)CC[N@H+](C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254563268 947525111 /nfs/dbraw/zinc/52/51/11/947525111.db2.gz VTUPPYISDCZZGD-LLVKDONJSA-N 1 0 279.340 1.594 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)C2 ZINC001254585360 947540146 /nfs/dbraw/zinc/54/01/46/947540146.db2.gz VVPFDTFEHQMEQX-CFVMTHIKSA-N 1 0 276.336 1.955 20 5 CDBDRO Cn1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254584928 947540556 /nfs/dbraw/zinc/54/05/56/947540556.db2.gz UNCOBXIUDKSWQE-CYBMUJFWSA-N 1 0 272.308 1.585 20 5 CDBDRO Cn1ccnc1CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599746 947551343 /nfs/dbraw/zinc/55/13/43/947551343.db2.gz PSOMTXRWRSLDNP-ZDUSSCGKSA-N 1 0 286.335 1.628 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCNC[C@H]1F ZINC001246086766 947936881 /nfs/dbraw/zinc/93/68/81/947936881.db2.gz MBBGAUUIACURRE-RAIGVLPGSA-N 1 0 281.331 1.815 20 5 CDBDRO CCOC(=O)[C@H](N)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001246416991 948164721 /nfs/dbraw/zinc/16/47/21/948164721.db2.gz LIFQTJMVHKPOKS-CMPLNLGQSA-N 1 0 295.339 1.006 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CC[C@@H]1F ZINC001246475482 948195221 /nfs/dbraw/zinc/19/52/21/948195221.db2.gz GZCPRFPFHGTNED-KGYLQXTDSA-N 1 0 281.331 1.815 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001248246124 948981453 /nfs/dbraw/zinc/98/14/53/948981453.db2.gz GMLQYPFKECFFJP-HTQZYQBOSA-N 1 0 293.258 1.774 20 5 CDBDRO C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC001325743535 954053988 /nfs/dbraw/zinc/05/39/88/954053988.db2.gz NQBDDDFMXHBMOP-UWVGGRQHSA-N 1 0 266.345 1.683 20 5 CDBDRO CC(C)([NH3+])CCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001326395132 954358086 /nfs/dbraw/zinc/35/80/86/954358086.db2.gz UFYXWIUTYGYYFG-UHFFFAOYSA-N 1 0 291.351 1.997 20 5 CDBDRO Cc1n[nH]c(=O)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001319830985 958743493 /nfs/dbraw/zinc/74/34/93/958743493.db2.gz DYBLSEWTXVGQII-UHFFFAOYSA-N 1 0 288.307 1.997 20 5 CDBDRO COCn1ncc(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001336656241 960443453 /nfs/dbraw/zinc/44/34/53/960443453.db2.gz UVKFYUJNCNLTHR-UHFFFAOYSA-N 1 0 290.323 1.993 20 5 CDBDRO Cc1cc(NC(=O)NCC[NH+]2CC=CC2)ccc1[N+](=O)[O-] ZINC001338208522 961692910 /nfs/dbraw/zinc/69/29/10/961692910.db2.gz JBEYZPLFSSRJEC-UHFFFAOYSA-N 1 0 290.323 1.897 20 5 CDBDRO [NH3+]C1CC2(C1)CC(NC(=O)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001341989442 963603495 /nfs/dbraw/zinc/60/34/95/963603495.db2.gz RMXCFHFLNFFEEJ-UHFFFAOYSA-N 1 0 289.335 1.523 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[NH+]4CCC3CC4)no2)[nH]1 ZINC001342543219 963760902 /nfs/dbraw/zinc/76/09/02/963760902.db2.gz CDROTGKRGISKPP-VIFPVBQESA-N 1 0 289.295 1.782 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[NH+]4CCC3CC4)no2)[nH]1 ZINC001342543217 963761052 /nfs/dbraw/zinc/76/10/52/963761052.db2.gz CDROTGKRGISKPP-SECBINFHSA-N 1 0 289.295 1.782 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1cc([N+](=O)[O-])ccc1SC ZINC001344128387 964238663 /nfs/dbraw/zinc/23/86/63/964238663.db2.gz PNRABEXITPWERD-UHFFFAOYSA-N 1 0 283.353 1.738 20 5 CDBDRO [NH3+]CC[C@@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001344998532 964526721 /nfs/dbraw/zinc/52/67/21/964526721.db2.gz KHHWDEVRHLRWSN-LLVKDONJSA-N 1 0 293.323 1.171 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]([NH3+])C(C)C ZINC001345811212 964822559 /nfs/dbraw/zinc/82/25/59/964822559.db2.gz ZTYCEDSSZQWPNQ-LLVKDONJSA-N 1 0 280.328 1.350 20 5 CDBDRO Cc1nc(N[C@@H]2CCCC[C@@H]2[NH+](C)C)ncc1[N+](=O)[O-] ZINC001347827012 965714694 /nfs/dbraw/zinc/71/46/94/965714694.db2.gz OJJGHAIJQVKFHR-MNOVXSKESA-N 1 0 279.344 1.978 20 5 CDBDRO CO[C@H](C)[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001353340351 967912144 /nfs/dbraw/zinc/91/21/44/967912144.db2.gz RIQZVZDPKFEEPM-TUAOUCFPSA-N 1 0 298.339 1.348 20 5 CDBDRO COCC[NH2+]CC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001355317288 969121380 /nfs/dbraw/zinc/12/13/80/969121380.db2.gz WXZJLRUELCXPNK-NSHDSACASA-N 1 0 295.339 1.051 20 5 CDBDRO CN(c1cc(N)c([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001515753285 969914510 /nfs/dbraw/zinc/91/45/10/969914510.db2.gz NCNZTWWACJUVBW-ZACCUICWSA-N 1 0 291.355 1.633 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccncc2)cc1 ZINC000105909046 1163694526 /nfs/dbraw/zinc/69/45/26/1163694526.db2.gz SFWPPQFJNIRTPS-CQSZACIVSA-N 1 0 273.292 1.813 20 5 CDBDRO CC[N@@H+]1CCCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601116821 342470967 /nfs/dbraw/zinc/47/09/67/342470967.db2.gz XZZFMKBSZOCVPJ-UHFFFAOYSA-N 1 0 268.292 1.661 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000601139543 342479670 /nfs/dbraw/zinc/47/96/70/342479670.db2.gz FEJBXJMNIKUUHW-PHIMTYICSA-N 1 0 266.297 1.464 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000590573649 342577150 /nfs/dbraw/zinc/57/71/50/342577150.db2.gz FKXHHSWIOFMOTL-JTQLQIEISA-N 1 0 279.344 1.138 20 5 CDBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000590579898 342577527 /nfs/dbraw/zinc/57/75/27/342577527.db2.gz XXRUTUMMTHTASX-SNVBAGLBSA-N 1 0 279.344 1.280 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000046998051 342093036 /nfs/dbraw/zinc/09/30/36/342093036.db2.gz CKOCKDYPASWOIX-ZIAGYGMSSA-N 1 0 289.335 1.951 20 5 CDBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCC(N)=O ZINC000286529805 342094948 /nfs/dbraw/zinc/09/49/48/342094948.db2.gz RFOYPRZIDBVHHD-UHFFFAOYSA-N 1 0 281.312 1.171 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591437028 342631734 /nfs/dbraw/zinc/63/17/34/342631734.db2.gz DWWVBPXUGSRWKE-GHMZBOCLSA-N 1 0 279.344 1.308 20 5 CDBDRO Cc1cc(NC(=O)NC[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000591296468 342624428 /nfs/dbraw/zinc/62/44/28/342624428.db2.gz RACZYUKGYWPNTL-MRVPVSSYSA-N 1 0 252.274 1.372 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[NH2+]CC1 ZINC000591348264 342626896 /nfs/dbraw/zinc/62/68/96/342626896.db2.gz ILYOJXAXVLLLSS-LBPRGKRZSA-N 1 0 292.339 1.536 20 5 CDBDRO C[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[C@@H]1[NH3+] ZINC000591428595 342629879 /nfs/dbraw/zinc/62/98/79/342629879.db2.gz SWBVRTKLQWYZQL-ONGXEEELSA-N 1 0 276.340 1.736 20 5 CDBDRO C[NH+](C)C1CN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611712665 346856223 /nfs/dbraw/zinc/85/62/23/346856223.db2.gz NMIGTAAFHTXULN-UHFFFAOYSA-N 1 0 273.296 1.288 20 5 CDBDRO [NH3+]CCOCC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000592153885 342669846 /nfs/dbraw/zinc/66/98/46/342669846.db2.gz LBGHWPVRGGTJBK-UHFFFAOYSA-N 1 0 295.339 1.009 20 5 CDBDRO CC(C)[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000592467980 342697777 /nfs/dbraw/zinc/69/77/77/342697777.db2.gz IZKIHBDDYJEAKM-UHFFFAOYSA-N 1 0 268.317 1.051 20 5 CDBDRO Cc1nc(N2CCC(CC[NH3+])CC2)ncc1[N+](=O)[O-] ZINC000593234842 342779986 /nfs/dbraw/zinc/77/99/86/342779986.db2.gz JCMFZEXADWRRSW-UHFFFAOYSA-N 1 0 265.317 1.258 20 5 CDBDRO COc1cc(CN(C)CC[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000289932220 361903623 /nfs/dbraw/zinc/90/36/23/361903623.db2.gz WLXQSDIYDAOAHW-UHFFFAOYSA-N 1 0 297.355 1.605 20 5 CDBDRO O=C1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000573732968 361925269 /nfs/dbraw/zinc/92/52/69/361925269.db2.gz ZNOLEONJSTWCIQ-LLVKDONJSA-N 1 0 289.335 1.695 20 5 CDBDRO C[NH2+]CCn1cc(-c2cc([N+](=O)[O-])ccc2CO)cn1 ZINC000600782047 342249124 /nfs/dbraw/zinc/24/91/24/342249124.db2.gz IFQKCYHQUCAWEI-UHFFFAOYSA-N 1 0 276.296 1.170 20 5 CDBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])CC(C)(C)O ZINC000092982056 342274900 /nfs/dbraw/zinc/27/49/00/342274900.db2.gz PCQLDYNDXLLGEV-UHFFFAOYSA-N 1 0 270.333 1.193 20 5 CDBDRO [NH3+]CCSCc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000594651952 342933371 /nfs/dbraw/zinc/93/33/71/342933371.db2.gz PYQPKBKLHGCRLY-UHFFFAOYSA-N 1 0 293.352 1.427 20 5 CDBDRO CC(C)[C@H]([NH3+])c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594651758 342933439 /nfs/dbraw/zinc/93/34/39/342933439.db2.gz GSWVUHXTZJJEFF-LBPRGKRZSA-N 1 0 277.284 1.537 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C[C@H]21 ZINC000125688717 187196052 /nfs/dbraw/zinc/19/60/52/187196052.db2.gz BXQJZQUOECFVGO-FBIMIBRVSA-N 1 0 278.312 1.122 20 5 CDBDRO CC[C@@H]([NH3+])c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594653691 342934638 /nfs/dbraw/zinc/93/46/38/342934638.db2.gz XWVBHIIPXHHGCA-MRVPVSSYSA-N 1 0 263.257 1.291 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000192789111 282188099 /nfs/dbraw/zinc/18/80/99/282188099.db2.gz ONPGDSVSTYJOEO-LLVKDONJSA-N 1 0 264.329 1.707 20 5 CDBDRO CC[C@H](COC)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594924166 342988464 /nfs/dbraw/zinc/98/84/64/342988464.db2.gz WWGVJRRXLKCQBH-LLVKDONJSA-N 1 0 296.323 1.881 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@@H+](CCCO)C2CC2)cc1 ZINC000404253230 349769815 /nfs/dbraw/zinc/76/98/15/349769815.db2.gz CQEUNPADKODUHH-UHFFFAOYSA-N 1 0 264.325 1.984 20 5 CDBDRO COCCO[C@@H]1CCCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595391720 343046519 /nfs/dbraw/zinc/04/65/19/343046519.db2.gz OMYJSDUVJPVELI-LLVKDONJSA-N 1 0 299.327 1.519 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595415750 343054233 /nfs/dbraw/zinc/05/42/33/343054233.db2.gz SHTZSOZDWKDLNU-IUODEOHRSA-N 1 0 295.383 1.947 20 5 CDBDRO O=C1CCCN1CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000405350987 349784702 /nfs/dbraw/zinc/78/47/02/349784702.db2.gz BZGHMADJDKAVIA-UHFFFAOYSA-N 1 0 263.297 1.307 20 5 CDBDRO C[C@@H](O)C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H](C)CO ZINC000595458645 343069047 /nfs/dbraw/zinc/06/90/47/343069047.db2.gz LHVJTXXZOGFQTQ-NXEZZACHSA-N 1 0 286.303 1.298 20 5 CDBDRO CC[N@@H+]1CCCN(CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000595536888 343091933 /nfs/dbraw/zinc/09/19/33/343091933.db2.gz WMBYDKLHKNVERS-LBPRGKRZSA-N 1 0 281.360 1.207 20 5 CDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1COCCO1 ZINC000595735567 343135283 /nfs/dbraw/zinc/13/52/83/343135283.db2.gz BBDSEAHDJKETDC-LBPRGKRZSA-N 1 0 296.323 1.321 20 5 CDBDRO CC(C)CC1([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000595831388 343168555 /nfs/dbraw/zinc/16/85/55/343168555.db2.gz MXMAEKVTFTVVAC-UHFFFAOYSA-N 1 0 252.318 1.960 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000600966364 342354793 /nfs/dbraw/zinc/35/47/93/342354793.db2.gz NDVINMSLRKILHG-PHIMTYICSA-N 1 0 276.296 1.563 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000595983475 343211172 /nfs/dbraw/zinc/21/11/72/343211172.db2.gz OZRYMIBYVKVCPF-ZETCQYMHSA-N 1 0 255.249 1.072 20 5 CDBDRO Cc1cc(N(C)CCN2CCOCC2)c([N+](=O)[O-])s1 ZINC000596105920 343228614 /nfs/dbraw/zinc/22/86/14/343228614.db2.gz QOGWSGKGLJGVSO-UHFFFAOYSA-N 1 0 285.369 1.733 20 5 CDBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000081554625 342370280 /nfs/dbraw/zinc/37/02/80/342370280.db2.gz POOWKAPNFQYQQB-VIFPVBQESA-N 1 0 283.303 1.548 20 5 CDBDRO CCOC(=O)[C@](C)(O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000274676850 362145221 /nfs/dbraw/zinc/14/52/21/362145221.db2.gz VDUSOKUDAZAMCZ-QMTHXVAHSA-N 1 0 296.323 1.560 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000596120602 343247856 /nfs/dbraw/zinc/24/78/56/343247856.db2.gz IUTCEUFIPLOHPE-CYBMUJFWSA-N 1 0 278.312 1.777 20 5 CDBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000596241813 343285049 /nfs/dbraw/zinc/28/50/49/343285049.db2.gz LMNIGMWZQRUICE-JTQLQIEISA-N 1 0 281.360 1.526 20 5 CDBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000596269602 343281296 /nfs/dbraw/zinc/28/12/96/343281296.db2.gz UXOJZONZFBHDNB-LLVKDONJSA-N 1 0 264.329 1.910 20 5 CDBDRO Cc1ccnc(NCCN2C[C@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000596434021 343320309 /nfs/dbraw/zinc/32/03/09/343320309.db2.gz WOZKIGVNFZRKKS-NEPJUHHUSA-N 1 0 294.355 1.819 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NCC[C@H](C)[NH+](C)C ZINC000596434483 343320788 /nfs/dbraw/zinc/32/07/88/343320788.db2.gz WZEVOFDWXXRMFT-JTQLQIEISA-N 1 0 252.318 1.472 20 5 CDBDRO CNC(=O)c1ccc(NCC[C@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596428041 343312411 /nfs/dbraw/zinc/31/24/11/343312411.db2.gz CZSDWOWBTSISPL-JTQLQIEISA-N 1 0 294.355 1.707 20 5 CDBDRO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000090551261 342396456 /nfs/dbraw/zinc/39/64/56/342396456.db2.gz JDUNVIREARACLX-PHIMTYICSA-N 1 0 265.313 1.344 20 5 CDBDRO CCC(C)(C)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090554330 342396618 /nfs/dbraw/zinc/39/66/18/342396618.db2.gz CWFRFQGCVQGTHK-UHFFFAOYSA-N 1 0 267.329 1.877 20 5 CDBDRO COCc1cc([N+](=O)[O-])ccc1NCC[NH+](C)C ZINC000090998382 342398158 /nfs/dbraw/zinc/39/81/58/342398158.db2.gz HPYPPVNRKSXTGM-UHFFFAOYSA-N 1 0 253.302 1.715 20 5 CDBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCC[NH+](C)C ZINC000090998447 342398191 /nfs/dbraw/zinc/39/81/91/342398191.db2.gz ZSDKXZYQDBKJHE-UHFFFAOYSA-N 1 0 299.302 1.884 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000588977176 342446471 /nfs/dbraw/zinc/44/64/71/342446471.db2.gz GXKKUZKKAFQAKT-WDEREUQCSA-N 1 0 277.324 1.853 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cncn1C ZINC000289949340 342409827 /nfs/dbraw/zinc/40/98/27/342409827.db2.gz UUPVHLHDTAJKIP-UHFFFAOYSA-N 1 0 260.297 1.927 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[NH2+]CC3)n2)cc1 ZINC000051640352 362249908 /nfs/dbraw/zinc/24/99/08/362249908.db2.gz HJHZSSWFVWQFHW-UHFFFAOYSA-N 1 0 289.295 1.050 20 5 CDBDRO C[C@H](CCNC(=O)CNc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000597993944 343683818 /nfs/dbraw/zinc/68/38/18/343683818.db2.gz WJHGPRZFEJSROH-LLVKDONJSA-N 1 0 294.355 1.463 20 5 CDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000598343782 343771580 /nfs/dbraw/zinc/77/15/80/343771580.db2.gz XSFNAPGLCWEXOT-LBPRGKRZSA-N 1 0 277.324 1.809 20 5 CDBDRO C[C@H]([NH2+]CCN1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599093250 343952587 /nfs/dbraw/zinc/95/25/87/343952587.db2.gz NJSRDGBWUWFUDJ-FZMZJTMJSA-N 1 0 279.340 1.312 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000599082955 343957653 /nfs/dbraw/zinc/95/76/53/343957653.db2.gz FYZZXOSOXGBCAQ-IAZYJMLFSA-N 1 0 279.344 1.116 20 5 CDBDRO COc1cc(C[NH2+]C[C@@H]2CC[C@H](C)O2)c([N+](=O)[O-])cc1O ZINC000453635836 252330106 /nfs/dbraw/zinc/33/01/06/252330106.db2.gz VKGXMVBCYGNWMB-ONGXEEELSA-N 1 0 296.323 1.966 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(NCCC[NH2+]C3CC3)c21 ZINC000601983261 344307208 /nfs/dbraw/zinc/30/72/08/344307208.db2.gz MHXFNCUOUCZBQC-UHFFFAOYSA-N 1 0 287.323 1.514 20 5 CDBDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000602431704 344424203 /nfs/dbraw/zinc/42/42/03/344424203.db2.gz KCWMIOMEUUKYMK-AAEUAGOBSA-N 1 0 279.296 1.300 20 5 CDBDRO CC(C)CC[C@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000602439306 344417447 /nfs/dbraw/zinc/41/74/47/344417447.db2.gz JNEJGWMVHZKQFX-ZDUSSCGKSA-N 1 0 279.340 1.975 20 5 CDBDRO CC[NH2+][C@H](C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000602457573 344438027 /nfs/dbraw/zinc/43/80/27/344438027.db2.gz GWGVRHYSCJCEOQ-SNVBAGLBSA-N 1 0 265.313 1.252 20 5 CDBDRO CC1(C)CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000602496570 344441912 /nfs/dbraw/zinc/44/19/12/344441912.db2.gz NASWZTZDQNWGTI-UHFFFAOYSA-N 1 0 281.287 1.558 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602593255 344481325 /nfs/dbraw/zinc/48/13/25/344481325.db2.gz WJHZQVGPFGUVQK-TXEJJXNPSA-N 1 0 275.308 1.100 20 5 CDBDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000602637196 344510700 /nfs/dbraw/zinc/51/07/00/344510700.db2.gz MSDANLKVQSDVQQ-IUCAKERBSA-N 1 0 278.312 1.984 20 5 CDBDRO CO[C@@H]1COCC[C@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602676419 344525879 /nfs/dbraw/zinc/52/58/79/344525879.db2.gz PKJFCAWTNYVJPQ-DZGCQCFKSA-N 1 0 294.351 1.778 20 5 CDBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)NC ZINC000602684965 344530656 /nfs/dbraw/zinc/53/06/56/344530656.db2.gz CEALNUMJZAMXOQ-LBPRGKRZSA-N 1 0 265.313 1.252 20 5 CDBDRO CCOC1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602764295 344584701 /nfs/dbraw/zinc/58/47/01/344584701.db2.gz PEMOHESQNMGUPQ-UHFFFAOYSA-N 1 0 282.344 1.601 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000602810899 344602990 /nfs/dbraw/zinc/60/29/90/344602990.db2.gz IMRPCQZNATXJGM-VXGBXAGGSA-N 1 0 264.329 1.974 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000602818201 344608312 /nfs/dbraw/zinc/60/83/12/344608312.db2.gz CGQOONOGQUYYHL-VXGBXAGGSA-N 1 0 282.344 1.240 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)CCC[NH+](C)C ZINC000602954922 344672072 /nfs/dbraw/zinc/67/20/72/344672072.db2.gz WUWITALRZQKYQH-UHFFFAOYSA-N 1 0 295.343 1.136 20 5 CDBDRO CC[C@]1(O)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000602982622 344674555 /nfs/dbraw/zinc/67/45/55/344674555.db2.gz VPCINWDRWFYTHI-LBPRGKRZSA-N 1 0 268.317 1.028 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000602836736 344618934 /nfs/dbraw/zinc/61/89/34/344618934.db2.gz HLLWKKAVGGITRY-GFCCVEGCSA-N 1 0 290.327 1.243 20 5 CDBDRO CO[C@@]1(C)C[C@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])C1(C)C ZINC000602838279 344620033 /nfs/dbraw/zinc/62/00/33/344620033.db2.gz BAJZDCBGJHYEHP-FZMZJTMJSA-N 1 0 296.371 1.893 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000602838937 344620632 /nfs/dbraw/zinc/62/06/32/344620632.db2.gz CNSDXJKCGSBGPJ-UHTWSYAYSA-N 1 0 294.355 1.503 20 5 CDBDRO C[NH2+][C@H](C)c1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000603203737 344734716 /nfs/dbraw/zinc/73/47/16/344734716.db2.gz RRURWQTVCJYGEI-MRVPVSSYSA-N 1 0 279.275 1.654 20 5 CDBDRO CC1(F)CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000602992992 344682516 /nfs/dbraw/zinc/68/25/16/344682516.db2.gz MSVHRIGFRHGKKQ-UHFFFAOYSA-N 1 0 256.281 1.615 20 5 CDBDRO C[NH+](C)CCN1CCC(Nc2cccnc2[N+](=O)[O-])CC1 ZINC000603850702 344840111 /nfs/dbraw/zinc/84/01/11/344840111.db2.gz VSEILUZMESNEJN-UHFFFAOYSA-N 1 0 293.371 1.428 20 5 CDBDRO C[N@@H+]1CCC[C@]2(CCN(c3ncc([N+](=O)[O-])cn3)C2)C1 ZINC000292913304 362517660 /nfs/dbraw/zinc/51/76/60/362517660.db2.gz XSHBUQCHTUHWCR-ZDUSSCGKSA-N 1 0 277.328 1.307 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000129182337 362533998 /nfs/dbraw/zinc/53/39/98/362533998.db2.gz LWHJTQZHYGWYJJ-LBPRGKRZSA-N 1 0 263.297 1.370 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000344048920 362539602 /nfs/dbraw/zinc/53/96/02/362539602.db2.gz ZHHUCHGNYBCBSJ-IMSIIYSGSA-N 1 0 280.299 1.937 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H]([NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000129215074 362540276 /nfs/dbraw/zinc/54/02/76/362540276.db2.gz YUXWVZIEMFTYKH-LLVKDONJSA-N 1 0 263.297 1.370 20 5 CDBDRO CN(CCCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000610473680 346288019 /nfs/dbraw/zinc/28/80/19/346288019.db2.gz YWPPPZXLJRMUOE-UHFFFAOYSA-N 1 0 268.317 1.337 20 5 CDBDRO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000042860694 346530602 /nfs/dbraw/zinc/53/06/02/346530602.db2.gz UWXHWGMSLFTCIB-BZPMIXESSA-N 1 0 296.371 1.568 20 5 CDBDRO Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000089091320 179698861 /nfs/dbraw/zinc/69/88/61/179698861.db2.gz VMOIXJMUNSITKX-NEPJUHHUSA-N 1 0 277.324 1.760 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000067703138 349033305 /nfs/dbraw/zinc/03/33/05/349033305.db2.gz JVYZKQLIXKCMST-JTQLQIEISA-N 1 0 275.308 1.561 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN(C)[C@@H](C)C[NH3+] ZINC000383013952 362937064 /nfs/dbraw/zinc/93/70/64/362937064.db2.gz FUJGONUMKVEXMK-VIFPVBQESA-N 1 0 253.302 1.382 20 5 CDBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000383013709 362937310 /nfs/dbraw/zinc/93/73/10/362937310.db2.gz FDRMJEORFSJQIO-MRVPVSSYSA-N 1 0 279.296 1.682 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000068342254 349063001 /nfs/dbraw/zinc/06/30/01/349063001.db2.gz DZZVEAVVKCHURH-AWEZNQCLSA-N 1 0 291.351 1.690 20 5 CDBDRO COC[C@@](C)(O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000069911831 349110961 /nfs/dbraw/zinc/11/09/61/349110961.db2.gz QBRKBFSZKSFZMZ-JTQLQIEISA-N 1 0 260.315 1.143 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC(C)(C)O ZINC000072636547 349127349 /nfs/dbraw/zinc/12/73/49/349127349.db2.gz HUIHRQHMDVADRN-UHFFFAOYSA-N 1 0 295.339 1.544 20 5 CDBDRO CCc1n[nH]c(C(=O)N(C)CCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000618216063 349404028 /nfs/dbraw/zinc/40/40/28/349404028.db2.gz YVWXSRQYPPFNCN-UHFFFAOYSA-N 1 0 297.359 1.294 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H](C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000091543830 180185169 /nfs/dbraw/zinc/18/51/69/180185169.db2.gz LLFHCYZOAYOZKP-MWLCHTKSSA-N 1 0 263.297 1.338 20 5 CDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000110794886 186325079 /nfs/dbraw/zinc/32/50/79/186325079.db2.gz AAXHZMZNUIVHKN-JTQLQIEISA-N 1 0 263.297 1.324 20 5 CDBDRO O=[N+]([O-])c1cc2c(ncnc2N2C[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000312517684 350783432 /nfs/dbraw/zinc/78/34/32/350783432.db2.gz BEELKSFZHQZYRJ-HTQZYQBOSA-N 1 0 291.336 1.255 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000156443615 351491510 /nfs/dbraw/zinc/49/15/10/351491510.db2.gz NTMNSKFGODJHMA-JOYOIKCWSA-N 1 0 294.311 1.175 20 5 CDBDRO CC[C@@]1(C(=O)NCc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000122043219 187012194 /nfs/dbraw/zinc/01/21/94/187012194.db2.gz HYBUCQUUBKDNNC-AWEZNQCLSA-N 1 0 277.324 1.743 20 5 CDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000122145737 187017786 /nfs/dbraw/zinc/01/77/86/187017786.db2.gz BZNXLGZBHWNQLO-NSHDSACASA-N 1 0 255.274 1.291 20 5 CDBDRO C[C@]1(O)CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000123888403 187113428 /nfs/dbraw/zinc/11/34/28/187113428.db2.gz KDKLPUPMEIDIHV-AWEZNQCLSA-N 1 0 280.324 1.820 20 5 CDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[NH2+]C1 ZINC000131849730 187591720 /nfs/dbraw/zinc/59/17/20/187591720.db2.gz SQOQKHVQHDSOGF-MJRJWQSSSA-N 1 0 275.308 1.334 20 5 CDBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000155104536 188183200 /nfs/dbraw/zinc/18/32/00/188183200.db2.gz FYHPNXLQCQPYRD-GHMZBOCLSA-N 1 0 293.323 1.548 20 5 CDBDRO Cc1c(C(=O)N[C@H](C)CCC[NH3+])cccc1[N+](=O)[O-] ZINC000295172392 199386717 /nfs/dbraw/zinc/38/67/17/199386717.db2.gz GHXBSBZMHFJKLL-SECBINFHSA-N 1 0 265.313 1.760 20 5 CDBDRO CC[NH+](CC)CCSCCn1cc([N+](=O)[O-])ccc1=O ZINC000160151567 188457889 /nfs/dbraw/zinc/45/78/89/188457889.db2.gz IWUXMGPFGHKJOY-UHFFFAOYSA-N 1 0 299.396 1.832 20 5 CDBDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000411944799 363384278 /nfs/dbraw/zinc/38/42/78/363384278.db2.gz RFWZDJJWMACZRZ-GFCCVEGCSA-N 1 0 277.324 1.505 20 5 CDBDRO CO[C@](C)([C@@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000411959163 363388254 /nfs/dbraw/zinc/38/82/54/363388254.db2.gz YBQCHUYHJIJSMP-ZWNOBZJWSA-N 1 0 282.344 1.585 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000411981070 363391899 /nfs/dbraw/zinc/39/18/99/363391899.db2.gz IJAYEVSXNFKMCA-STQMWFEESA-N 1 0 280.324 1.472 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH2+]C(C)C ZINC000577868485 356080432 /nfs/dbraw/zinc/08/04/32/356080432.db2.gz XYFZXBDMEWTIEV-UHFFFAOYSA-N 1 0 295.339 1.721 20 5 CDBDRO CC1(C)CN(CCNc2ccc(N)cc2[N+](=O)[O-])CCO1 ZINC000286183005 356229516 /nfs/dbraw/zinc/22/95/16/356229516.db2.gz JIXQMGCDZBHXQS-UHFFFAOYSA-N 1 0 294.355 1.700 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358422267 356209214 /nfs/dbraw/zinc/20/92/14/356209214.db2.gz MYBPNYJWEOZPQS-UHFFFAOYSA-N 1 0 283.303 1.296 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000358540337 356304688 /nfs/dbraw/zinc/30/46/88/356304688.db2.gz GTJWFAXOKYQIQL-AWEZNQCLSA-N 1 0 291.351 1.548 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NCC1([NH+](C)C)CCC1 ZINC000097934347 356957479 /nfs/dbraw/zinc/95/74/79/356957479.db2.gz KJMCNXBKPQWIMA-UHFFFAOYSA-N 1 0 253.306 1.225 20 5 CDBDRO CCOc1cccc(N[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000135050827 357239748 /nfs/dbraw/zinc/23/97/48/357239748.db2.gz RTSXZNYPKQDVRU-SECBINFHSA-N 1 0 251.286 1.767 20 5 CDBDRO CCC[N@H+](CC)CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290529871 357212367 /nfs/dbraw/zinc/21/23/67/357212367.db2.gz DCSPLLKPNWWYHP-UHFFFAOYSA-N 1 0 295.343 1.233 20 5 CDBDRO COc1ccc(CN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000019232186 357349031 /nfs/dbraw/zinc/34/90/31/357349031.db2.gz ZDNJFUFJDNPHCP-UHFFFAOYSA-N 1 0 251.286 1.009 20 5 CDBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000365772742 357359329 /nfs/dbraw/zinc/35/93/29/357359329.db2.gz RBTLYHVUFXKUGI-ZIAGYGMSSA-N 1 0 295.383 1.565 20 5 CDBDRO CC[NH2+]CCCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000566202606 357435450 /nfs/dbraw/zinc/43/54/50/357435450.db2.gz MSCFFGVIEKKNBM-UHFFFAOYSA-N 1 0 281.312 1.089 20 5 CDBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000185615362 357560057 /nfs/dbraw/zinc/56/00/57/357560057.db2.gz GFROVFBPSCTIQP-WDEREUQCSA-N 1 0 252.318 1.912 20 5 CDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCC1=CC[NH2+]CC1 ZINC000186292718 357634673 /nfs/dbraw/zinc/63/46/73/357634673.db2.gz KGPVMKWHNQTNPZ-UHFFFAOYSA-N 1 0 290.323 1.043 20 5 CDBDRO O=[N+]([O-])c1ccn(CCN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000584460323 357726529 /nfs/dbraw/zinc/72/65/29/357726529.db2.gz WYSZISGQFAKXPY-QWHCGFSZSA-N 1 0 293.371 1.398 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H](C[N@H+](C)CC)C1 ZINC000360990405 357767015 /nfs/dbraw/zinc/76/70/15/357767015.db2.gz LFBKUOPAGLXWLA-GFCCVEGCSA-N 1 0 295.387 1.898 20 5 CDBDRO Cc1cc(C(=O)NC[C@H]2CCCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000135221152 357792463 /nfs/dbraw/zinc/79/24/63/357792463.db2.gz OZFMNSGQHCWTTJ-GFCCVEGCSA-N 1 0 277.324 1.775 20 5 CDBDRO C[C@@H](O)C[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000189339438 357997702 /nfs/dbraw/zinc/99/77/02/357997702.db2.gz UMMGFDDIMHAMBV-GFCCVEGCSA-N 1 0 279.340 1.093 20 5 CDBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC(C)(C)O ZINC000361257251 358018836 /nfs/dbraw/zinc/01/88/36/358018836.db2.gz GBEYPZZOFIBIQQ-UHFFFAOYSA-N 1 0 278.312 1.674 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000286880190 358021082 /nfs/dbraw/zinc/02/10/82/358021082.db2.gz FDWUPZKMOFRCPN-QMMMGPOBSA-N 1 0 285.731 1.928 20 5 CDBDRO Nc1c(C(=O)NCCC[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000294816816 199196071 /nfs/dbraw/zinc/19/60/71/199196071.db2.gz JZJXOVIYQBPPDJ-JTQLQIEISA-N 1 0 292.339 1.439 20 5 CDBDRO O=[N+]([O-])c1ccc(CCN2CCOC[C@@]23CCOC3)cc1 ZINC000193716624 358319419 /nfs/dbraw/zinc/31/94/19/358319419.db2.gz FILGGUDDMLYGBA-HNNXBMFYSA-N 1 0 292.335 1.629 20 5 CDBDRO O=[N+]([O-])c1cccnc1N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000294862982 199220278 /nfs/dbraw/zinc/22/02/78/199220278.db2.gz CIWBQFRLXMLMPD-LLVKDONJSA-N 1 0 280.328 1.249 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000294934148 199258530 /nfs/dbraw/zinc/25/85/30/199258530.db2.gz URZJAONZOKYGLY-JTQLQIEISA-N 1 0 292.339 1.439 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000294948612 199265644 /nfs/dbraw/zinc/26/56/44/199265644.db2.gz VVNDLBZTVCAZSI-AOOOYVTPSA-N 1 0 256.689 1.861 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000186699063 358817127 /nfs/dbraw/zinc/81/71/27/358817127.db2.gz NPOXBDLXMNVIMX-LDYMZIIASA-N 1 0 281.287 1.462 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC3(CCOCC3)C2)c1 ZINC000365723481 366469968 /nfs/dbraw/zinc/46/99/68/366469968.db2.gz PALZRWGZMXAYEB-UHFFFAOYSA-N 1 0 294.355 1.684 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(OC[C@@H](O)C[N@@H+](C)C(C)C)c1 ZINC000380765657 358892646 /nfs/dbraw/zinc/89/26/46/358892646.db2.gz YRSXBSHXUOHGKN-LBPRGKRZSA-N 1 0 282.340 1.983 20 5 CDBDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000159334214 358973919 /nfs/dbraw/zinc/97/39/19/358973919.db2.gz XCGMKDOKRYMMKW-UWVGGRQHSA-N 1 0 281.312 1.234 20 5 CDBDRO O=[N+]([O-])c1cccc(CN2C[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC000299921952 358975812 /nfs/dbraw/zinc/97/58/12/358975812.db2.gz RFWPXWRGQDVVNH-JSGCOSHPSA-N 1 0 261.325 1.779 20 5 CDBDRO Cc1ccnc(N2C[C@@H](C)N(CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000450799757 359006243 /nfs/dbraw/zinc/00/62/43/359006243.db2.gz XKSOAGYPONZGFE-TXEJJXNPSA-N 1 0 294.355 1.190 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000340312560 359637608 /nfs/dbraw/zinc/63/76/08/359637608.db2.gz NVPGESVNBJPKGG-ZDUSSCGKSA-N 1 0 291.351 1.973 20 5 CDBDRO CC[NH+](CC)[C@H]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000297160951 200102058 /nfs/dbraw/zinc/10/20/58/200102058.db2.gz OYWFFGRWVYUUAN-NSHDSACASA-N 1 0 279.344 1.614 20 5 CDBDRO O=[N+]([O-])c1cccnc1NCCC[NH+]1CCCC1 ZINC000058340835 359928039 /nfs/dbraw/zinc/92/80/39/359928039.db2.gz FYKCEHKSHPPVLW-UHFFFAOYSA-N 1 0 250.302 1.888 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000187338828 359924892 /nfs/dbraw/zinc/92/48/92/359924892.db2.gz FKAKDJBPBYWERL-JTQLQIEISA-N 1 0 294.355 1.637 20 5 CDBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000298053845 200324697 /nfs/dbraw/zinc/32/46/97/200324697.db2.gz FPGJLUTVXXVPNO-NSHDSACASA-N 1 0 295.339 1.626 20 5 CDBDRO C[C@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000062853126 360011151 /nfs/dbraw/zinc/01/11/51/360011151.db2.gz LGKLKKIMAYHUTP-ZDUSSCGKSA-N 1 0 263.297 1.923 20 5 CDBDRO [NH3+]C1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCCC1 ZINC000262334312 360050990 /nfs/dbraw/zinc/05/09/90/360050990.db2.gz BMBHMWBCYVGBFI-UHFFFAOYSA-N 1 0 277.324 1.525 20 5 CDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000178344650 189108941 /nfs/dbraw/zinc/10/89/41/189108941.db2.gz VWZAKHINNCNAPL-GFCCVEGCSA-N 1 0 280.324 1.942 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000147939132 360735612 /nfs/dbraw/zinc/73/56/12/360735612.db2.gz UQNMYAXFHCNRSD-LLVKDONJSA-N 1 0 263.297 1.337 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000130331918 360943199 /nfs/dbraw/zinc/94/31/99/360943199.db2.gz YDEUXHVPUDFZBT-MRVPVSSYSA-N 1 0 254.290 1.170 20 5 CDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000367128294 360926172 /nfs/dbraw/zinc/92/61/72/360926172.db2.gz ZCZGBWQLQYTEGW-CHWSQXEVSA-N 1 0 293.371 1.350 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[NH+]1CCCC1 ZINC000345543439 361182475 /nfs/dbraw/zinc/18/24/75/361182475.db2.gz HZTKTHSWUVZNIG-UHFFFAOYSA-N 1 0 277.324 1.729 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000408466209 361183387 /nfs/dbraw/zinc/18/33/87/361183387.db2.gz LTFQPCQWARHPRI-RISCZKNCSA-N 1 0 289.335 1.679 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000070075759 361237425 /nfs/dbraw/zinc/23/74/25/361237425.db2.gz BELLVBZRYAUGNK-PHIMTYICSA-N 1 0 277.324 1.726 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@@H](C)[NH2+]1 ZINC000070076267 361238257 /nfs/dbraw/zinc/23/82/57/361238257.db2.gz LRTNERUJYWONOA-ZOUVEMKTSA-N 1 0 289.335 1.817 20 5 CDBDRO Cc1nn(C)c(N2CCC([NH2+]C3CC3)CC2)c1[N+](=O)[O-] ZINC000301731417 201163846 /nfs/dbraw/zinc/16/38/46/201163846.db2.gz SPPPRQJPSKMUEZ-UHFFFAOYSA-N 1 0 279.344 1.358 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])n1C)C1CC[NH+](C)CC1 ZINC000345764491 361522105 /nfs/dbraw/zinc/52/21/05/361522105.db2.gz VYPWWODWJLHWGI-UHFFFAOYSA-N 1 0 280.328 1.100 20 5 CDBDRO O=c1c2ccc([N+](=O)[O-])cc2ncn1CC[C@@H]1CC[NH2+]C1 ZINC000580832033 363947666 /nfs/dbraw/zinc/94/76/66/363947666.db2.gz NUSHFUCVAXQVNG-JTQLQIEISA-N 1 0 288.307 1.304 20 5 CDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000581924842 364058121 /nfs/dbraw/zinc/05/81/21/364058121.db2.gz NTOXZWAZEAMLJQ-SNVBAGLBSA-N 1 0 293.323 1.372 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000237242190 364580657 /nfs/dbraw/zinc/58/06/57/364580657.db2.gz ZKXJNENRSKIBOW-JTQLQIEISA-N 1 0 293.323 1.475 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1csc([N+](=O)[O-])c1 ZINC000144287957 364609847 /nfs/dbraw/zinc/60/98/47/364609847.db2.gz MCJFEVZGFSZSPU-VIFPVBQESA-N 1 0 281.337 1.623 20 5 CDBDRO CC[C@H]([NH2+]C[C@@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000181731206 365036995 /nfs/dbraw/zinc/03/69/95/365036995.db2.gz KSNITOHQSQVYJT-KBPBESRZSA-N 1 0 280.324 1.787 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000133674092 365257729 /nfs/dbraw/zinc/25/77/29/365257729.db2.gz DCPHEACZHQIGPY-SNVBAGLBSA-N 1 0 263.297 1.243 20 5 CDBDRO Cn1c(C(=O)NC(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000457040503 365278207 /nfs/dbraw/zinc/27/82/07/365278207.db2.gz UGNVHUPCADIFPM-UHFFFAOYSA-N 1 0 294.355 1.538 20 5 CDBDRO CC(C)(O)C1C[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000275540132 193071312 /nfs/dbraw/zinc/07/13/12/193071312.db2.gz CVMHWKGXTASNGI-CYBMUJFWSA-N 1 0 280.324 1.331 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+](CCO)CCCO ZINC000093323831 365364192 /nfs/dbraw/zinc/36/41/92/365364192.db2.gz OVYYPZMPJJCVHZ-ZZXKWVIFSA-N 1 0 280.324 1.285 20 5 CDBDRO CC[C@@]1(C)CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075999183 366946275 /nfs/dbraw/zinc/94/62/75/366946275.db2.gz ZBRDXYAIRHOLFD-KBPBESRZSA-N 1 0 296.371 1.664 20 5 CDBDRO Cc1ccc(NC(=O)N2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000414665728 241312175 /nfs/dbraw/zinc/31/21/75/241312175.db2.gz VHZRCYZRNXWXQA-SNVBAGLBSA-N 1 0 278.312 1.729 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CC[C@@H]2C2CC2)c1 ZINC000348382431 367240902 /nfs/dbraw/zinc/24/09/02/367240902.db2.gz NZJFGAIUTPNSHR-VXGBXAGGSA-N 1 0 250.302 1.570 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CC[C@@H]2C2CC2)c1 ZINC000348382426 367241164 /nfs/dbraw/zinc/24/11/64/367241164.db2.gz NZJFGAIUTPNSHR-NEPJUHHUSA-N 1 0 250.302 1.570 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[NH3+] ZINC000415477257 241698090 /nfs/dbraw/zinc/69/80/90/241698090.db2.gz AWNGLIHOKPPBLN-UHFFFAOYSA-N 1 0 252.274 1.292 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCC[C@@H]2OC(F)F)n1 ZINC000348520243 367456597 /nfs/dbraw/zinc/45/65/97/367456597.db2.gz ISRQITHAIBJYIY-BDAKNGLRSA-N 1 0 290.270 1.541 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](C)C[NH2+]C ZINC000414848419 367567737 /nfs/dbraw/zinc/56/77/37/367567737.db2.gz WYIRJTFEVBQAKS-NSHDSACASA-N 1 0 281.356 1.939 20 5 CDBDRO C[NH2+]CCCNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000414857988 370897105 /nfs/dbraw/zinc/89/71/05/370897105.db2.gz HAFKGZGGWBIJFL-UHFFFAOYSA-N 1 0 283.328 1.311 20 5 CDBDRO CN(CC[NH+]1CCCC1)c1ncccc1[N+](=O)[O-] ZINC000301202357 368379111 /nfs/dbraw/zinc/37/91/11/368379111.db2.gz PXMYWMVOFJMMRX-UHFFFAOYSA-N 1 0 250.302 1.522 20 5 CDBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330590142 203010881 /nfs/dbraw/zinc/01/08/81/203010881.db2.gz XYUDATUJGMMHSU-UHFFFAOYSA-N 1 0 280.328 1.337 20 5 CDBDRO Cc1nc(NCCC[C@@H]2CCC[NH2+]2)ncc1[N+](=O)[O-] ZINC000420294406 244038208 /nfs/dbraw/zinc/03/82/08/244038208.db2.gz ZFSUTFFEPHOJBB-JTQLQIEISA-N 1 0 265.317 1.059 20 5 CDBDRO C[NH2+]CCN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420331830 244097551 /nfs/dbraw/zinc/09/75/51/244097551.db2.gz AQHIVUKRULGXBY-SNVBAGLBSA-N 1 0 280.328 1.073 20 5 CDBDRO C[NH2+]CCN(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420334815 244102380 /nfs/dbraw/zinc/10/23/80/244102380.db2.gz HWCCZLPUBODQHO-UHFFFAOYSA-N 1 0 280.328 1.075 20 5 CDBDRO C[NH2+]CCCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000037610674 369335140 /nfs/dbraw/zinc/33/51/40/369335140.db2.gz LYCDJNRWULUGJA-UHFFFAOYSA-N 1 0 251.286 1.841 20 5 CDBDRO Cc1c(NC(=O)C[NH2+]CC2CC2)cccc1[N+](=O)[O-] ZINC000037613150 369336325 /nfs/dbraw/zinc/33/63/25/369336325.db2.gz MRWSHZVXTPUMOC-UHFFFAOYSA-N 1 0 263.297 1.841 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000330907247 203378603 /nfs/dbraw/zinc/37/86/03/203378603.db2.gz NRQKSBWSTPSNNV-IUCAKERBSA-N 1 0 283.353 1.869 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000036932562 296147684 /nfs/dbraw/zinc/14/76/84/296147684.db2.gz HRBJMJIUIWMAON-QWHCGFSZSA-N 1 0 293.367 1.966 20 5 CDBDRO C[C@H](NC(=O)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000295296829 369892797 /nfs/dbraw/zinc/89/27/97/369892797.db2.gz JACWDBWIIVESPU-VIFPVBQESA-N 1 0 251.286 1.334 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000089153897 370135185 /nfs/dbraw/zinc/13/51/85/370135185.db2.gz HOKCFOOWFCQPIB-GJZGRUSLSA-N 1 0 292.335 1.975 20 5 CDBDRO [NH3+]CCCCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001580295269 1172396420 /nfs/dbraw/zinc/39/64/20/1172396420.db2.gz WKKGNAQDRMXLDO-UHFFFAOYSA-N 1 0 295.343 1.045 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000422719423 245174955 /nfs/dbraw/zinc/17/49/55/245174955.db2.gz RDDGMNLUCILLRW-GXFFZTMASA-N 1 0 279.340 1.820 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCCC[NH3+] ZINC000422716921 245175669 /nfs/dbraw/zinc/17/56/69/245175669.db2.gz UWTLMWYGFUJYMI-UHFFFAOYSA-N 1 0 267.285 1.072 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000422766842 245231512 /nfs/dbraw/zinc/23/15/12/245231512.db2.gz MJUHFGUMNVSXRI-LLVKDONJSA-N 1 0 277.324 1.632 20 5 CDBDRO COc1ccc(CN[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414920660 371097208 /nfs/dbraw/zinc/09/72/08/371097208.db2.gz YIUCSPWBXKDUMZ-LBPRGKRZSA-N 1 0 279.340 1.835 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC[C@H]3CCCO3)CC2)n1 ZINC000331598705 204002162 /nfs/dbraw/zinc/00/21/62/204002162.db2.gz AOYVUPSTWNJBRV-CYBMUJFWSA-N 1 0 294.355 1.997 20 5 CDBDRO Cc1c(CC(=O)NC[C@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000422849070 245327197 /nfs/dbraw/zinc/32/71/97/245327197.db2.gz LHEWRINYWUTJGI-LBPRGKRZSA-N 1 0 279.340 1.545 20 5 CDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000332733487 204936553 /nfs/dbraw/zinc/93/65/53/204936553.db2.gz WTPLWNHKJIBLOX-SNVBAGLBSA-N 1 0 295.343 1.183 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000049095773 372908517 /nfs/dbraw/zinc/90/85/17/372908517.db2.gz IAHDDIDJGXMOKR-SECBINFHSA-N 1 0 269.326 1.480 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC3(CC3)C2)c1 ZINC000187002256 373183643 /nfs/dbraw/zinc/18/36/43/373183643.db2.gz ATQNICIBCPAFGG-LBPRGKRZSA-N 1 0 280.328 1.028 20 5 CDBDRO Cn1cc(C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000269644782 373302357 /nfs/dbraw/zinc/30/23/57/373302357.db2.gz DNHKHIQYBAAKNO-CQSZACIVSA-N 1 0 290.323 1.494 20 5 CDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2CCCC2)cc1 ZINC000272949222 373602191 /nfs/dbraw/zinc/60/21/91/373602191.db2.gz PQEFDTYSGLKGFR-UHFFFAOYSA-N 1 0 298.364 1.901 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000441618388 373715140 /nfs/dbraw/zinc/71/51/40/373715140.db2.gz XRAQLOZUBMDSBR-ZJUUUORDSA-N 1 0 297.380 1.786 20 5 CDBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000298502494 373740239 /nfs/dbraw/zinc/74/02/39/373740239.db2.gz ZGSRYCPFDCYWJV-NSHDSACASA-N 1 0 289.335 1.809 20 5 CDBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2ncc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000488759067 373761312 /nfs/dbraw/zinc/76/13/12/373761312.db2.gz KBPUEAUDWHSBTN-DMDPSCGWSA-N 1 0 291.355 1.551 20 5 CDBDRO CCc1nn(C)c(N[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000168956825 373847609 /nfs/dbraw/zinc/84/76/09/373847609.db2.gz ASEASXLYDDASSS-QMMMGPOBSA-N 1 0 255.322 1.253 20 5 CDBDRO CCc1nn(C)c(N[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000168956906 373847796 /nfs/dbraw/zinc/84/77/96/373847796.db2.gz ASEASXLYDDASSS-MRVPVSSYSA-N 1 0 255.322 1.253 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000168996740 373853172 /nfs/dbraw/zinc/85/31/72/373853172.db2.gz BYXKUXZAUXRJKV-VIFPVBQESA-N 1 0 275.312 1.900 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000423606134 245933980 /nfs/dbraw/zinc/93/39/80/245933980.db2.gz KWTPGWXFBCHEMB-SECBINFHSA-N 1 0 295.339 1.640 20 5 CDBDRO CCC[NH2+][C@@H](C)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000423726345 246006480 /nfs/dbraw/zinc/00/64/80/246006480.db2.gz PSNLYLQUHHYBHA-VIFPVBQESA-N 1 0 281.312 1.930 20 5 CDBDRO Cc1c(CC(=O)N[C@H]2CC[NH2+]C2(C)C)cccc1[N+](=O)[O-] ZINC000423744782 246020201 /nfs/dbraw/zinc/02/02/01/246020201.db2.gz WSVLJHQFGNOVSJ-ZDUSSCGKSA-N 1 0 291.351 1.702 20 5 CDBDRO Cc1c(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)cccc1[N+](=O)[O-] ZINC000423793204 246086241 /nfs/dbraw/zinc/08/62/41/246086241.db2.gz CKXGBRFBQXHDLR-WDEREUQCSA-N 1 0 281.287 1.219 20 5 CDBDRO [NH3+]C[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000420250850 374293636 /nfs/dbraw/zinc/29/36/36/374293636.db2.gz ZOIRBXCXLIKJCM-LBPRGKRZSA-N 1 0 288.307 1.307 20 5 CDBDRO [NH3+]C[C@H]1CCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420290204 374294431 /nfs/dbraw/zinc/29/44/31/374294431.db2.gz LOCNYLXXQPEAPL-CYBMUJFWSA-N 1 0 292.339 1.347 20 5 CDBDRO CC[C@@H](O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000421874231 374338598 /nfs/dbraw/zinc/33/85/98/374338598.db2.gz IOHCGQXJWWBRQT-ZYHUDNBSSA-N 1 0 252.314 1.886 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000372961491 374458892 /nfs/dbraw/zinc/45/88/92/374458892.db2.gz SGONQPNNZKZQQT-LBPRGKRZSA-N 1 0 281.360 1.207 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000349983487 374493416 /nfs/dbraw/zinc/49/34/16/374493416.db2.gz BHIVSEPHAWSQEY-UWVGGRQHSA-N 1 0 297.380 1.929 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000424028548 246297279 /nfs/dbraw/zinc/29/72/79/246297279.db2.gz DGPQWPBZOHKVAQ-UHFFFAOYSA-N 1 0 281.312 1.042 20 5 CDBDRO CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000429160543 374570324 /nfs/dbraw/zinc/57/03/24/374570324.db2.gz HMQJCWVNAOFXMJ-UHFFFAOYSA-N 1 0 281.312 1.171 20 5 CDBDRO O=C([C@@H]1CCC[NH2+]C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000178132189 284478065 /nfs/dbraw/zinc/47/80/65/284478065.db2.gz GCLTUJDXGREFOY-SNVBAGLBSA-N 1 0 275.308 1.484 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)COC ZINC000117946158 374611776 /nfs/dbraw/zinc/61/17/76/374611776.db2.gz KRJMUFIVEOKWHN-GFCCVEGCSA-N 1 0 284.312 1.090 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000070172537 374654411 /nfs/dbraw/zinc/65/44/11/374654411.db2.gz WAIGWQVNUIVJHC-UWVGGRQHSA-N 1 0 295.314 1.933 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000070447204 374662602 /nfs/dbraw/zinc/66/26/02/374662602.db2.gz KHEFPYCTCLXZMH-MRVPVSSYSA-N 1 0 257.315 1.369 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000070446917 374662893 /nfs/dbraw/zinc/66/28/93/374662893.db2.gz BWIAXRLFZJFKJC-LLVKDONJSA-N 1 0 251.286 1.308 20 5 CDBDRO Cc1nc(N2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000124130083 374736410 /nfs/dbraw/zinc/73/64/10/374736410.db2.gz DYDJQWSOUZGFAP-KOLCDFICSA-N 1 0 264.329 1.862 20 5 CDBDRO COC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000277054730 374767793 /nfs/dbraw/zinc/76/77/93/374767793.db2.gz QSHRNNORBLHXRN-UHFFFAOYSA-N 1 0 294.351 1.923 20 5 CDBDRO O=C(NCC[N@H+]1CC=CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000279904824 374974215 /nfs/dbraw/zinc/97/42/15/374974215.db2.gz QVVMEYWPFZJZOX-UHFFFAOYSA-N 1 0 290.323 1.978 20 5 CDBDRO CCN(Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCNC1=O ZINC000282449595 375085569 /nfs/dbraw/zinc/08/55/69/375085569.db2.gz SIKZWZQNSAQAPM-ZDUSSCGKSA-N 1 0 277.324 1.614 20 5 CDBDRO C[C@H](C[NH+]1CCCCCC1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000302485833 375207270 /nfs/dbraw/zinc/20/72/70/375207270.db2.gz YWOXWJIXVLJHHD-SNVBAGLBSA-N 1 0 294.359 1.643 20 5 CDBDRO COc1ccc(OCC[N@H+](C)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000132150150 375406550 /nfs/dbraw/zinc/40/65/50/375406550.db2.gz NTHAEOCDNQIZMU-SNVBAGLBSA-N 1 0 284.312 1.295 20 5 CDBDRO Cn1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000425967334 246955618 /nfs/dbraw/zinc/95/56/18/246955618.db2.gz NQZLCYZOACICRG-UHFFFAOYSA-N 1 0 289.339 1.967 20 5 CDBDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000162746174 375503910 /nfs/dbraw/zinc/50/39/10/375503910.db2.gz PHQBKLXCQYAFMM-CMPLNLGQSA-N 1 0 250.298 1.798 20 5 CDBDRO COC[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)OC ZINC000227705877 375595145 /nfs/dbraw/zinc/59/51/45/375595145.db2.gz YODCLDHTVALPMO-SECBINFHSA-N 1 0 260.315 1.407 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CC1 ZINC000132799336 375595927 /nfs/dbraw/zinc/59/59/27/375595927.db2.gz GXUKTWZFRCTMFF-LLVKDONJSA-N 1 0 283.715 1.715 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](CO)C1CC1 ZINC000353071410 375573629 /nfs/dbraw/zinc/57/36/29/375573629.db2.gz JMCBYUBSFQNKCG-LBPRGKRZSA-N 1 0 250.298 1.703 20 5 CDBDRO [NH3+]C1(CC(=O)NCCc2ccccc2[N+](=O)[O-])CCC1 ZINC000237812924 375651332 /nfs/dbraw/zinc/65/13/32/375651332.db2.gz JXSHOBDWYCMTRX-UHFFFAOYSA-N 1 0 277.324 1.525 20 5 CDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000357048365 375672879 /nfs/dbraw/zinc/67/28/79/375672879.db2.gz ZSMKCSHJXXDZKD-QWHCGFSZSA-N 1 0 293.367 1.998 20 5 CDBDRO COc1ccc(C(=O)NC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000133118800 375691437 /nfs/dbraw/zinc/69/14/37/375691437.db2.gz RFZXVDJFMDJJOM-SNVBAGLBSA-N 1 0 279.296 1.071 20 5 CDBDRO Cc1cnc(NC[C@@](C)(O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000228669770 375793502 /nfs/dbraw/zinc/79/35/02/375793502.db2.gz WYNWAFKOEBWKKI-GFCCVEGCSA-N 1 0 268.317 1.023 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CCC[NH3+] ZINC000133750180 375820431 /nfs/dbraw/zinc/82/04/31/375820431.db2.gz KEAGORNEKXXJGF-UHFFFAOYSA-N 1 0 251.286 1.324 20 5 CDBDRO C[C@@](CO)([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000355335783 375790753 /nfs/dbraw/zinc/79/07/53/375790753.db2.gz PASVEIRLDCTUDB-AWEZNQCLSA-N 1 0 296.371 1.712 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCCN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357090205 375884305 /nfs/dbraw/zinc/88/43/05/375884305.db2.gz ZWTACKXNDVMEPD-STQMWFEESA-N 1 0 291.351 1.515 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C1C[NH2+]C1 ZINC000357078168 375884339 /nfs/dbraw/zinc/88/43/39/375884339.db2.gz BJLMRJOHSLFPNE-UHFFFAOYSA-N 1 0 292.339 1.135 20 5 CDBDRO O=C(NCc1ncc[nH]1)c1csc([N+](=O)[O-])c1 ZINC000357556243 375916107 /nfs/dbraw/zinc/91/61/07/375916107.db2.gz IKBGUEDTLHWCCR-UHFFFAOYSA-N 1 0 252.255 1.309 20 5 CDBDRO CC(C)[N@@H+]1CCCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000357916260 375939827 /nfs/dbraw/zinc/93/98/27/375939827.db2.gz QHIDGRMDZHXRKU-UHFFFAOYSA-N 1 0 281.360 1.207 20 5 CDBDRO Cc1nc(NCC[N@H+]2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000296453040 376156774 /nfs/dbraw/zinc/15/67/74/376156774.db2.gz ITDYYZIIUYIFER-SNVBAGLBSA-N 1 0 279.344 1.837 20 5 CDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000262424625 190055073 /nfs/dbraw/zinc/05/50/73/190055073.db2.gz RMDJLYVTRXJLEZ-LBPRGKRZSA-N 1 0 277.324 1.253 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435249660 248162555 /nfs/dbraw/zinc/16/25/55/248162555.db2.gz VGKPRRFJKXUQMX-LLVKDONJSA-N 1 0 293.298 1.700 20 5 CDBDRO Cc1nc(N2CC[C@@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000228164870 376949305 /nfs/dbraw/zinc/94/93/05/376949305.db2.gz HULYLOACBARXNH-WCBMZHEXSA-N 1 0 250.302 1.472 20 5 CDBDRO CC(C)OCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173473899 378470827 /nfs/dbraw/zinc/47/08/27/378470827.db2.gz CQZRJZLIDQYFPF-LBPRGKRZSA-N 1 0 294.355 1.901 20 5 CDBDRO CN(CC[NH+](C)C)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000278508746 194018326 /nfs/dbraw/zinc/01/83/26/194018326.db2.gz XYDSZQOCJLOTKK-UHFFFAOYSA-N 1 0 264.329 1.561 20 5 CDBDRO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000245959583 379368193 /nfs/dbraw/zinc/36/81/93/379368193.db2.gz UPDWYDZJAYOLCM-NWDGAFQWSA-N 1 0 279.340 1.734 20 5 CDBDRO CN(CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCC[N@H+](C)C1 ZINC000174864975 379596134 /nfs/dbraw/zinc/59/61/34/379596134.db2.gz HKIHRNUYQSMHRF-GFCCVEGCSA-N 1 0 281.360 1.065 20 5 CDBDRO COC[C@@](C)(O)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449387079 250833981 /nfs/dbraw/zinc/83/39/81/250833981.db2.gz VUCUSMQXSLCMBA-DOMZBBRYSA-N 1 0 296.367 1.903 20 5 CDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000449727925 250988550 /nfs/dbraw/zinc/98/85/50/250988550.db2.gz SIXAYDKEKXLDMI-QWHCGFSZSA-N 1 0 291.351 1.771 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC=CCC1 ZINC000280261015 194770765 /nfs/dbraw/zinc/77/07/65/194770765.db2.gz OLMJLJJFDGMVRT-UHFFFAOYSA-N 1 0 290.323 1.169 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC(C)(C)C1 ZINC000459745304 252772107 /nfs/dbraw/zinc/77/21/07/252772107.db2.gz SJXBHGGVRLSMMJ-UHFFFAOYSA-N 1 0 252.318 1.912 20 5 CDBDRO C[NH+](C)C/C=C/C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000492019283 253140510 /nfs/dbraw/zinc/14/05/10/253140510.db2.gz ODKUGSRBLVLRNE-ONEGZZNKSA-N 1 0 267.260 1.790 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2O)cc1 ZINC000037691590 285115206 /nfs/dbraw/zinc/11/52/06/285115206.db2.gz MDSTXVZXGKBJLO-OLZOCXBDSA-N 1 0 250.298 1.988 20 5 CDBDRO CCC1([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000394560249 390187032 /nfs/dbraw/zinc/18/70/32/390187032.db2.gz HQLYPBJPSIAGEW-LBPRGKRZSA-N 1 0 282.344 1.465 20 5 CDBDRO COCC[C@@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000281804037 195388914 /nfs/dbraw/zinc/38/89/14/195388914.db2.gz YMVGTJSKVMVXKO-PWSUYJOCSA-N 1 0 268.313 1.643 20 5 CDBDRO CC1(C)CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cn1 ZINC000450953707 390582847 /nfs/dbraw/zinc/58/28/47/390582847.db2.gz ZIPCTSMHXFTWLW-UHFFFAOYSA-N 1 0 264.329 1.698 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000135239051 390621896 /nfs/dbraw/zinc/62/18/96/390621896.db2.gz IIWINTMLZQNLSU-MFKMUULPSA-N 1 0 277.324 1.760 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)n1 ZINC000451496848 390626557 /nfs/dbraw/zinc/62/65/57/390626557.db2.gz KNLFAXWHMYRXJF-RTXFEEFZSA-N 1 0 292.339 1.339 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](C)CC1 ZINC000127640545 390668933 /nfs/dbraw/zinc/66/89/33/390668933.db2.gz MNADGIQDMPMQLY-UHFFFAOYSA-N 1 0 291.351 1.975 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000111302955 390671916 /nfs/dbraw/zinc/67/19/16/390671916.db2.gz BVLVLXGGAVVYNE-LURJTMIESA-N 1 0 257.677 1.325 20 5 CDBDRO CC(C)[C@H]([NH3+])C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000517014423 390967766 /nfs/dbraw/zinc/96/77/66/390967766.db2.gz TUAYHRNHMPIAIY-LBPRGKRZSA-N 1 0 281.312 1.073 20 5 CDBDRO C[N@H+](CCNc1ncc([N+](=O)[O-])cc1F)C1CC1 ZINC000413067768 391154071 /nfs/dbraw/zinc/15/40/71/391154071.db2.gz FKAPTNZVCNPGJW-UHFFFAOYSA-N 1 0 254.265 1.635 20 5 CDBDRO Cc1nn(C)c(NC[C@@]2([NH+](C)C)CCSC2)c1[N+](=O)[O-] ZINC000267141362 391230728 /nfs/dbraw/zinc/23/07/28/391230728.db2.gz XYFSZNVPNDDSRW-LBPRGKRZSA-N 1 0 299.400 1.486 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000449668682 391237479 /nfs/dbraw/zinc/23/74/79/391237479.db2.gz WUQGQHUWGXQKKU-NSHDSACASA-N 1 0 299.277 1.251 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000237565969 391252823 /nfs/dbraw/zinc/25/28/23/391252823.db2.gz CGKGCYAVBANIDQ-SSDOTTSWSA-N 1 0 271.704 1.573 20 5 CDBDRO [NH3+]CC[C@@H](NCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000415057253 391253208 /nfs/dbraw/zinc/25/32/08/391253208.db2.gz PKYOAJRXBIMSCE-SNVBAGLBSA-N 1 0 277.246 1.964 20 5 CDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CNCCO1 ZINC000415092523 391256905 /nfs/dbraw/zinc/25/69/05/391256905.db2.gz GIXLNBSLAQWJNI-GXTWGEPZSA-N 1 0 293.367 1.494 20 5 CDBDRO C[C@H](O)CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000438997904 391375379 /nfs/dbraw/zinc/37/53/79/391375379.db2.gz IKEVEWLAGFPWNZ-LBPRGKRZSA-N 1 0 279.340 1.488 20 5 CDBDRO C[N@H+](CCn1cccc([N+](=O)[O-])c1=O)Cc1ccccc1 ZINC000278537029 391382707 /nfs/dbraw/zinc/38/27/07/391382707.db2.gz JGAQDSCJTHAXRL-UHFFFAOYSA-N 1 0 287.319 1.889 20 5 CDBDRO [NH3+]CCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415443333 391440764 /nfs/dbraw/zinc/44/07/64/391440764.db2.gz QXKKNXLQBLNNCX-UHFFFAOYSA-N 1 0 292.217 1.694 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](C)C[NH3+] ZINC000415587843 391467773 /nfs/dbraw/zinc/46/77/73/391467773.db2.gz XDJPOAKAMHYQCX-QMMMGPOBSA-N 1 0 280.328 1.928 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000415664567 391471733 /nfs/dbraw/zinc/47/17/33/391471733.db2.gz UGFPSLRAPZMMPN-VIFPVBQESA-N 1 0 296.327 1.804 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000521101444 391618916 /nfs/dbraw/zinc/61/89/16/391618916.db2.gz LFTIQGQJENERDJ-NEPJUHHUSA-N 1 0 293.371 1.650 20 5 CDBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000290904735 391568621 /nfs/dbraw/zinc/56/86/21/391568621.db2.gz LEJZZKWZHBMSIZ-NSHDSACASA-N 1 0 297.359 1.028 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc([N+](=O)[O-])c1 ZINC000189312807 129952095 /nfs/dbraw/zinc/95/20/95/129952095.db2.gz GANFRRPXCABOPC-GWCFXTLKSA-N 1 0 277.324 1.774 20 5 CDBDRO C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000189739036 130018098 /nfs/dbraw/zinc/01/80/98/130018098.db2.gz RCWCPIRHAWWVRJ-BXUZGUMPSA-N 1 0 264.325 1.840 20 5 CDBDRO COCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000054353678 391830655 /nfs/dbraw/zinc/83/06/55/391830655.db2.gz VDYPAHWNFGVEIR-UHFFFAOYSA-N 1 0 295.339 1.810 20 5 CDBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000266577034 391996547 /nfs/dbraw/zinc/99/65/47/391996547.db2.gz UMDFOFSKKNWJET-WDEREUQCSA-N 1 0 292.339 1.622 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C(C)(C)C[NH+]1CCCC1 ZINC000416333979 392010493 /nfs/dbraw/zinc/01/04/93/392010493.db2.gz OJGAQMQWSPSOJV-UHFFFAOYSA-N 1 0 294.355 1.869 20 5 CDBDRO C[C@]1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000237758105 131056204 /nfs/dbraw/zinc/05/62/04/131056204.db2.gz KMELFTYVDNKFDO-AWEZNQCLSA-N 1 0 292.339 1.123 20 5 CDBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]C1 ZINC000238006854 131072203 /nfs/dbraw/zinc/07/22/03/131072203.db2.gz VJJYDOMBYKHFTO-LLVKDONJSA-N 1 0 293.323 1.089 20 5 CDBDRO C[C@@H](O)C[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000245799859 131088896 /nfs/dbraw/zinc/08/88/96/131088896.db2.gz PETHYBJMNMLEFF-NXEZZACHSA-N 1 0 281.312 1.234 20 5 CDBDRO C[C@@H]1[NH2+]CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000262749837 131258941 /nfs/dbraw/zinc/25/89/41/131258941.db2.gz GKHFSSJAIAOTGH-QWRGUYRKSA-N 1 0 293.323 1.182 20 5 CDBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000090794988 392521491 /nfs/dbraw/zinc/52/14/91/392521491.db2.gz WBVRYKBRKXHOMC-NXEZZACHSA-N 1 0 250.302 1.884 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000459778504 392504655 /nfs/dbraw/zinc/50/46/55/392504655.db2.gz LTGKCEVVZTVLFT-VWYCJHECSA-N 1 0 250.302 1.570 20 5 CDBDRO C[NH+](C)C1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000273305521 392720430 /nfs/dbraw/zinc/72/04/30/392720430.db2.gz MNOCHDVPLRWAEG-UHFFFAOYSA-N 1 0 272.308 1.893 20 5 CDBDRO C[C@H](NC(=O)NC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000418227170 392879186 /nfs/dbraw/zinc/87/91/86/392879186.db2.gz BRWHEUCYEQSUFV-JQWIXIFHSA-N 1 0 292.339 1.707 20 5 CDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000420967953 392922379 /nfs/dbraw/zinc/92/23/79/392922379.db2.gz VBCNWWOADKKFPB-BJHJDKERSA-N 1 0 264.325 1.840 20 5 CDBDRO COCC[N@@H+]1CC[C@@H](Nc2nc(C)ccc2[N+](=O)[O-])C1 ZINC000268779576 132065086 /nfs/dbraw/zinc/06/50/86/132065086.db2.gz BRFTXPRBQNYPLF-LLVKDONJSA-N 1 0 280.328 1.431 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421708213 392944139 /nfs/dbraw/zinc/94/41/39/392944139.db2.gz ZSORRPGNMAGQMD-ZDUSSCGKSA-N 1 0 277.324 1.761 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1CCO ZINC000430223256 393095453 /nfs/dbraw/zinc/09/54/53/393095453.db2.gz URKHRCCCSVTKRH-GFCCVEGCSA-N 1 0 280.324 1.950 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430644396 393102269 /nfs/dbraw/zinc/10/22/69/393102269.db2.gz NGSYPQUURXSGSX-ZDUSSCGKSA-N 1 0 293.367 1.905 20 5 CDBDRO C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000430964993 393108067 /nfs/dbraw/zinc/10/80/67/393108067.db2.gz HFIWJSYUFQRHFW-RYUDHWBXSA-N 1 0 279.340 1.656 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1COCCO1 ZINC000449092450 393129634 /nfs/dbraw/zinc/12/96/34/393129634.db2.gz SPCXEJPJEIQZGR-WCQYABFASA-N 1 0 280.324 1.531 20 5 CDBDRO CCN1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000391634209 393149992 /nfs/dbraw/zinc/14/99/92/393149992.db2.gz MFJLWKIIUDWVQR-ZYHUDNBSSA-N 1 0 277.324 1.866 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000132525422 393226182 /nfs/dbraw/zinc/22/61/82/393226182.db2.gz JQWBOSYKKSLGGI-SECBINFHSA-N 1 0 281.337 1.247 20 5 CDBDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000186338859 140059525 /nfs/dbraw/zinc/05/95/25/140059525.db2.gz VBCNEZKWRVLFTK-CHWSQXEVSA-N 1 0 296.371 1.975 20 5 CDBDRO Cc1ccc(C(=O)NC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000189328784 140112397 /nfs/dbraw/zinc/11/23/97/140112397.db2.gz FQGFNIPVORWDPF-UHFFFAOYSA-N 1 0 277.324 1.775 20 5 CDBDRO COC1CC([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000221108187 140168702 /nfs/dbraw/zinc/16/87/02/140168702.db2.gz PFCZUNSPKRSNOA-UHFFFAOYSA-N 1 0 250.298 1.904 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1 ZINC000228099660 140190890 /nfs/dbraw/zinc/19/08/90/140190890.db2.gz VMJBHCXTINQJST-IACUBPJLSA-N 1 0 262.309 1.798 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]CC1 ZINC000231488731 140215836 /nfs/dbraw/zinc/21/58/36/140215836.db2.gz GHICXRFQFGNAMN-LBPRGKRZSA-N 1 0 277.324 1.809 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CCC[NH2+]CC1 ZINC000231481436 140215970 /nfs/dbraw/zinc/21/59/70/140215970.db2.gz SFDIXTUAAIZQBI-SNVBAGLBSA-N 1 0 280.328 1.147 20 5 CDBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2CCC[NH2+]2)s1 ZINC000261576132 140353640 /nfs/dbraw/zinc/35/36/40/140353640.db2.gz BWWAYTKQHPWJAN-ZETCQYMHSA-N 1 0 279.325 1.763 20 5 CDBDRO COc1ccc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000261604217 140362299 /nfs/dbraw/zinc/36/22/99/140362299.db2.gz CLWCSGLFQQCJLM-OLZOCXBDSA-N 1 0 291.351 1.787 20 5 CDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C[C@H]12 ZINC000261655200 140370694 /nfs/dbraw/zinc/37/06/94/140370694.db2.gz JZSUFSIUQCNVLW-AQUOVQTQSA-N 1 0 293.298 1.543 20 5 CDBDRO O=[N+]([O-])c1ccc2oc(C[N@H+](CCO)CC3CC3)nc2c1 ZINC000352448864 155195230 /nfs/dbraw/zinc/19/52/30/155195230.db2.gz JJHNTHVDGRUHRR-UHFFFAOYSA-N 1 0 291.307 1.940 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000262075348 149010993 /nfs/dbraw/zinc/01/09/93/149010993.db2.gz SSNSJYQMTZYPEE-HNNXBMFYSA-N 1 0 291.351 1.725 20 5 CDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000262475167 149068417 /nfs/dbraw/zinc/06/84/17/149068417.db2.gz YTSSGPJBNYOEJA-LLVKDONJSA-N 1 0 292.339 1.391 20 5 CDBDRO COc1cc(CN2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000346079788 153045306 /nfs/dbraw/zinc/04/53/06/153045306.db2.gz RCRUWTJZAYNVMD-NSHDSACASA-N 1 0 295.339 1.535 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCOCC2(CCC2)C1 ZINC000375182513 160351665 /nfs/dbraw/zinc/35/16/65/160351665.db2.gz KOHMDSPQFKCDEV-UHFFFAOYSA-N 1 0 280.328 1.331 20 5 CDBDRO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@H](C)O ZINC000352214510 155028885 /nfs/dbraw/zinc/02/88/85/155028885.db2.gz ZSMHFZFZMWOOBP-JTQLQIEISA-N 1 0 268.313 1.806 20 5 CDBDRO COC(=O)COc1ccc(C[NH2+]CC2CC2)cc1[N+](=O)[O-] ZINC000353741775 156055379 /nfs/dbraw/zinc/05/53/79/156055379.db2.gz VGWYUQNXQUPQBN-UHFFFAOYSA-N 1 0 294.307 1.646 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC3(CC3)CC2)c1 ZINC000368424774 159647027 /nfs/dbraw/zinc/64/70/27/159647027.db2.gz NTNKBIZWLQLRGE-GFCCVEGCSA-N 1 0 280.328 1.028 20 5 CDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000374912239 160326674 /nfs/dbraw/zinc/32/66/74/160326674.db2.gz NVTHVDTZMUJCMV-FZMZJTMJSA-N 1 0 289.335 1.761 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000007960752 170309887 /nfs/dbraw/zinc/30/98/87/170309887.db2.gz NPKOIUBWEGZBEA-ZDUSSCGKSA-N 1 0 277.324 1.809 20 5 CDBDRO Cc1cc(C(=O)N2CCC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000020479259 171221957 /nfs/dbraw/zinc/22/19/57/171221957.db2.gz MMXYHZQHQFADGL-UHFFFAOYSA-N 1 0 277.324 1.681 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285089513 196194495 /nfs/dbraw/zinc/19/44/95/196194495.db2.gz JYEBFPJKSPGDEV-BDAKNGLRSA-N 1 0 298.318 1.302 20 5 CDBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285159037 196210530 /nfs/dbraw/zinc/21/05/30/196210530.db2.gz YEXPLAVJQNWRDL-JTQLQIEISA-N 1 0 295.343 1.312 20 5 CDBDRO COc1ccc(C[NH2+]C(C)(C)CO)cc1[N+](=O)[O-] ZINC000035603967 172291540 /nfs/dbraw/zinc/29/15/40/172291540.db2.gz ZGUQGVOLFIQVHZ-UHFFFAOYSA-N 1 0 254.286 1.464 20 5 CDBDRO CC[C@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285411597 196276321 /nfs/dbraw/zinc/27/63/21/196276321.db2.gz UVFVTZANNIMFOQ-LBPRGKRZSA-N 1 0 252.314 1.840 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000285426478 196281384 /nfs/dbraw/zinc/28/13/84/196281384.db2.gz DXZHETHQMJHHSU-ZLKJLUDKSA-N 1 0 280.324 1.656 20 5 CDBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCC1OCCO1 ZINC000285455127 196289723 /nfs/dbraw/zinc/28/97/23/196289723.db2.gz YVUHKJQJRQMJSZ-UHFFFAOYSA-N 1 0 280.324 1.832 20 5 CDBDRO Cc1noc(C)c1C(C)(C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000285618923 196345826 /nfs/dbraw/zinc/34/58/26/196345826.db2.gz KQJRZPFUXFRXMD-UHFFFAOYSA-N 1 0 293.327 1.921 20 5 CDBDRO C[C@H]([NH2+]CCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037177111 173010845 /nfs/dbraw/zinc/01/08/45/173010845.db2.gz SHJNKIKQFSAHFX-ZDUSSCGKSA-N 1 0 293.367 1.968 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCC[NH2+]1 ZINC000037810221 173753987 /nfs/dbraw/zinc/75/39/87/173753987.db2.gz GAFTYUJMZXUFNZ-GFCCVEGCSA-N 1 0 277.324 1.695 20 5 CDBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])n[nH]1)[NH+]1CCCCC1 ZINC000286037484 196477488 /nfs/dbraw/zinc/47/74/88/196477488.db2.gz KIJFAISJXKEJNP-SNVBAGLBSA-N 1 0 295.343 1.312 20 5 CDBDRO CC[C@H](CO)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000038079440 174089071 /nfs/dbraw/zinc/08/90/71/174089071.db2.gz OATWJYMFPIRZLK-SNVBAGLBSA-N 1 0 254.286 1.334 20 5 CDBDRO CC[NH+]1CCC(CNc2c([N+](=O)[O-])ncn2C)CC1 ZINC000044411736 175171752 /nfs/dbraw/zinc/17/17/52/175171752.db2.gz WERDJMUTUQVZJW-UHFFFAOYSA-N 1 0 267.333 1.472 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000044491942 175180989 /nfs/dbraw/zinc/18/09/89/175180989.db2.gz INVLCODPDSJYPA-LLVKDONJSA-N 1 0 277.324 1.775 20 5 CDBDRO NC(=O)c1ccc(NC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000044502885 175186124 /nfs/dbraw/zinc/18/61/24/175186124.db2.gz SPEHLNIOBXSNPL-SECBINFHSA-N 1 0 278.312 1.105 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000044723132 175237389 /nfs/dbraw/zinc/23/73/89/175237389.db2.gz DEPVNZUTPUZGBX-GFCCVEGCSA-N 1 0 291.351 1.930 20 5 CDBDRO Cc1c(C[NH2+]C[C@@H](C)N(C)C)cccc1[N+](=O)[O-] ZINC000045107538 175307899 /nfs/dbraw/zinc/30/78/99/175307899.db2.gz MTTNHEJNVPCPGB-SNVBAGLBSA-N 1 0 251.330 1.943 20 5 CDBDRO COc1ccc(CN2CCCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000313331459 260284237 /nfs/dbraw/zinc/28/42/37/260284237.db2.gz BQGGRUUKZUTMMW-LBPRGKRZSA-N 1 0 295.339 1.153 20 5 CDBDRO [NH3+]C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000313359774 260287627 /nfs/dbraw/zinc/28/76/27/260287627.db2.gz VQMWTNYFTSSVEO-LBPRGKRZSA-N 1 0 283.303 1.284 20 5 CDBDRO Cc1c(C[NH2+][C@H](C)CC(N)=O)cccc1[N+](=O)[O-] ZINC000136122422 424183731 /nfs/dbraw/zinc/18/37/31/424183731.db2.gz ASYYNBXCSUXHFV-MRVPVSSYSA-N 1 0 251.286 1.257 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000519601119 265497934 /nfs/dbraw/zinc/49/79/34/265497934.db2.gz ASYLDZCNNMUGEF-VIFPVBQESA-N 1 0 278.312 1.001 20 5 CDBDRO C[C@H](c1cccc(-c2nn[nH]n2)c1)[N@H+](C)CC[N+](=O)[O-] ZINC001590047351 1173240398 /nfs/dbraw/zinc/24/03/98/1173240398.db2.gz WKVRVRRFQSUPJE-SECBINFHSA-N 1 0 276.300 1.136 20 5 CDBDRO CC(C)[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000399718128 270375098 /nfs/dbraw/zinc/37/50/98/270375098.db2.gz HGOHWJSGXVYOCC-GWCFXTLKSA-N 1 0 279.340 1.830 20 5 CDBDRO O=C1[C@H]([NH+]2CCCC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067374446 275029101 /nfs/dbraw/zinc/02/91/01/275029101.db2.gz AIDQRQZQUIYNDA-CYBMUJFWSA-N 1 0 275.308 1.796 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000422779620 276382026 /nfs/dbraw/zinc/38/20/26/276382026.db2.gz GAZVTTJDXHVBIU-SNVBAGLBSA-N 1 0 293.323 1.475 20 5 CDBDRO CCOC(=O)c1ccnc(N2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420129744 276445431 /nfs/dbraw/zinc/44/54/31/276445431.db2.gz XHRVXZKXENTXKV-VIFPVBQESA-N 1 0 294.311 1.094 20 5 CDBDRO C[NH+](C)C1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000271724670 276774336 /nfs/dbraw/zinc/77/43/36/276774336.db2.gz LRBLADNUAYOYKH-UHFFFAOYSA-N 1 0 283.715 1.634 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000375930251 276832262 /nfs/dbraw/zinc/83/22/62/276832262.db2.gz HCPNNUPVLWIEFL-LLVKDONJSA-N 1 0 264.329 1.910 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297151702 277232810 /nfs/dbraw/zinc/23/28/10/277232810.db2.gz CKDJSVZHZNASIM-UWVGGRQHSA-N 1 0 265.313 1.770 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000148833548 277281610 /nfs/dbraw/zinc/28/16/10/277281610.db2.gz HWAQOTVALFWZRX-JTQLQIEISA-N 1 0 265.313 1.109 20 5 CDBDRO COC(=O)COC[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000295475043 277323704 /nfs/dbraw/zinc/32/37/04/277323704.db2.gz RUJJBFWKZOCRPF-GHMZBOCLSA-N 1 0 296.323 1.824 20 5 CDBDRO COc1cccc(N2CCC[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000135050268 278015687 /nfs/dbraw/zinc/01/56/87/278015687.db2.gz ZGPKAETVMIEMJW-JTQLQIEISA-N 1 0 265.313 1.779 20 5 CDBDRO C[C@H](CC(N)=O)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447582012 278166006 /nfs/dbraw/zinc/16/60/06/278166006.db2.gz XCDUDEHXPRTEHH-OUAUKWLOSA-N 1 0 295.343 1.129 20 5 CDBDRO C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1C[NH2+]C1 ZINC000262592553 278197327 /nfs/dbraw/zinc/19/73/27/278197327.db2.gz WLFVXAHRSQUJBQ-SNVBAGLBSA-N 1 0 289.335 1.335 20 5 CDBDRO C[C@@]1(F)C[NH2+]CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000420344390 279167264 /nfs/dbraw/zinc/16/72/64/279167264.db2.gz YBPNXPFMPHYKJY-CQSZACIVSA-N 1 0 281.331 1.771 20 5 CDBDRO CC(C)C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000049442374 279175127 /nfs/dbraw/zinc/17/51/27/279175127.db2.gz WGTHBQRQUGCPBO-UHFFFAOYSA-N 1 0 265.313 1.782 20 5 CDBDRO CCC[NH2+]CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000054264195 279184120 /nfs/dbraw/zinc/18/41/20/279184120.db2.gz NUTCLQQWTVSYDO-VOTSOKGWSA-N 1 0 277.324 1.724 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000044541460 279647866 /nfs/dbraw/zinc/64/78/66/279647866.db2.gz ISZAOILZXVOTRY-CYBMUJFWSA-N 1 0 277.324 1.477 20 5 CDBDRO CC(C)(C[NH3+])C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000236608284 280130353 /nfs/dbraw/zinc/13/03/53/280130353.db2.gz LVYAQZOXFWUGAF-UHFFFAOYSA-N 1 0 280.328 1.108 20 5 CDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261756831 280186969 /nfs/dbraw/zinc/18/69/69/280186969.db2.gz UMJXYXDCSDBNEH-UWVGGRQHSA-N 1 0 293.298 1.415 20 5 CDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554856886 290195274 /nfs/dbraw/zinc/19/52/74/290195274.db2.gz CXWDWMHPDRLQBN-JTQLQIEISA-N 1 0 295.343 1.264 20 5 CDBDRO CC[C@H](COC)[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000568883759 294120050 /nfs/dbraw/zinc/12/00/50/294120050.db2.gz SVANKCWYYCLUQS-SNVBAGLBSA-N 1 0 284.312 1.824 20 5 CDBDRO CC[C@H]1CN(C)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000570715605 294295413 /nfs/dbraw/zinc/29/54/13/294295413.db2.gz ZHJHPUNWKPOOBN-VIFPVBQESA-N 1 0 283.353 1.823 20 5 CDBDRO CC(C)=CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000571158881 294378410 /nfs/dbraw/zinc/37/84/10/294378410.db2.gz ZFKRLGYDAQGFMN-CYBMUJFWSA-N 1 0 280.324 1.890 20 5 CDBDRO CN1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000572497412 294635384 /nfs/dbraw/zinc/63/53/84/294635384.db2.gz OHAKCKZJUBBUQI-QWHCGFSZSA-N 1 0 289.335 1.793 20 5 CDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC2CCC2)cc1 ZINC000572677275 294671552 /nfs/dbraw/zinc/67/15/52/294671552.db2.gz BLBHHPXCVBYLEL-UHFFFAOYSA-N 1 0 298.364 1.758 20 5 CDBDRO Cc1cnc(N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000272255906 302352725 /nfs/dbraw/zinc/35/27/25/302352725.db2.gz ZEWGPTDUEZJBEF-YPMHNXCESA-N 1 0 276.340 1.829 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)C2CCOCC2)cc1 ZINC000359581591 304802225 /nfs/dbraw/zinc/80/22/25/304802225.db2.gz NDKDPCRSRDJPSM-HNNXBMFYSA-N 1 0 294.351 1.862 20 5 CDBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCO1 ZINC000182296094 323272898 /nfs/dbraw/zinc/27/28/98/323272898.db2.gz SKBSNMYKPRNJLS-VXGBXAGGSA-N 1 0 268.317 1.339 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183632976 323344176 /nfs/dbraw/zinc/34/41/76/323344176.db2.gz KEGFJFMHSWGDNQ-SNVBAGLBSA-N 1 0 293.327 1.453 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000387684980 323776713 /nfs/dbraw/zinc/77/67/13/323776713.db2.gz TVMBSPOQWYIDAV-SKVAFPRGSA-N 1 0 277.324 1.722 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000387705901 323776926 /nfs/dbraw/zinc/77/69/26/323776926.db2.gz YALUJNNMZKAUBC-MRVPVSSYSA-N 1 0 285.731 1.976 20 5 CDBDRO CC(C)[C@]1(C)C[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000397150298 323861623 /nfs/dbraw/zinc/86/16/23/323861623.db2.gz LRKZBACJXQTOTM-AGIUHOORSA-N 1 0 282.344 1.176 20 5 CDBDRO CC1CC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000580947332 324605707 /nfs/dbraw/zinc/60/57/07/324605707.db2.gz QUKKUDAQPGEADW-XIVSLSHWSA-N 1 0 280.324 1.723 20 5 CDBDRO Cc1cc(Cl)nc(-n2cc(C[NH3+])cnc2=N)c1[N+](=O)[O-] ZINC001161415341 1159411807 /nfs/dbraw/zinc/41/18/07/1159411807.db2.gz RBFXESILPOGJSD-UHFFFAOYSA-N 1 0 294.702 1.075 20 5 CDBDRO [NH3+][C@@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000420123147 482832214 /nfs/dbraw/zinc/83/22/14/482832214.db2.gz AYDYRXKSCLSQGF-SNVBAGLBSA-N 1 0 258.281 1.680 20 5 CDBDRO NC(=O)C1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCCC1 ZINC001168966600 1161996480 /nfs/dbraw/zinc/99/64/80/1161996480.db2.gz JQNXGJLWJKICHU-GHMZBOCLSA-N 1 0 269.345 1.210 20 5 CDBDRO [NH3+]CC[C@@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(F)F ZINC000383463527 518197391 /nfs/dbraw/zinc/19/73/91/518197391.db2.gz KFVQWWQIWJDOLM-ZTYXWKCZSA-N 1 0 299.277 1.707 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000338428644 519623774 /nfs/dbraw/zinc/62/37/74/519623774.db2.gz XBIAEQSQEMTWKC-UHFFFAOYSA-N 1 0 265.313 1.665 20 5 CDBDRO CCC[NH2+]CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000236770452 519915578 /nfs/dbraw/zinc/91/55/78/519915578.db2.gz JTOJLZADHNKDSU-UHFFFAOYSA-N 1 0 299.758 1.907 20 5 CDBDRO COC[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000181580440 522738234 /nfs/dbraw/zinc/73/82/34/522738234.db2.gz LVSJTKLWNCPKJS-AWEZNQCLSA-N 1 0 280.324 1.988 20 5 CDBDRO CCc1ccc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000366566744 523891347 /nfs/dbraw/zinc/89/13/47/523891347.db2.gz LHGWRYCOALGZPU-RYUDHWBXSA-N 1 0 295.314 1.587 20 5 CDBDRO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C[NH3+] ZINC000163712802 524270288 /nfs/dbraw/zinc/27/02/88/524270288.db2.gz FFDFRYXNOCXQAX-UWVGGRQHSA-N 1 0 295.314 1.791 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000070175054 525022610 /nfs/dbraw/zinc/02/26/10/525022610.db2.gz PEQGDQOHQSJHDT-ZJUUUORDSA-N 1 0 250.302 1.553 20 5 CDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CCC[NH2+]C1 ZINC000050162320 525201282 /nfs/dbraw/zinc/20/12/82/525201282.db2.gz PCDIYDQCIZZNKL-IUCAKERBSA-N 1 0 266.301 1.041 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000052812809 525578829 /nfs/dbraw/zinc/57/88/29/525578829.db2.gz AKWUXRGVMYAMQD-SNVBAGLBSA-N 1 0 262.313 1.947 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000069142280 525635338 /nfs/dbraw/zinc/63/53/38/525635338.db2.gz RBWQIKGNCUIHCY-ZYHUDNBSSA-N 1 0 298.364 1.823 20 5 CDBDRO C[C@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000050163977 525683605 /nfs/dbraw/zinc/68/36/05/525683605.db2.gz KUWGGCJRMZLXJW-VHSXEESVSA-N 1 0 250.302 1.790 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000237200702 536454007 /nfs/dbraw/zinc/45/40/07/536454007.db2.gz JUDRLPSLZCYSPN-JTQLQIEISA-N 1 0 292.339 1.249 20 5 CDBDRO O=C(N[C@@H]1CC[NH2+]C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000052092999 526930748 /nfs/dbraw/zinc/93/07/48/526930748.db2.gz PGQRYLJZCVUJRU-MRVPVSSYSA-N 1 0 269.688 1.340 20 5 CDBDRO O=C(N[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000058233226 526933000 /nfs/dbraw/zinc/93/30/00/526933000.db2.gz GHLFOQFBOVZUOH-SSDOTTSWSA-N 1 0 269.688 1.340 20 5 CDBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000262712518 536507183 /nfs/dbraw/zinc/50/71/83/536507183.db2.gz CXKHNDNNSJYBOY-GXSJLCMTSA-N 1 0 293.323 1.331 20 5 CDBDRO [NH3+]C[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000050246368 527238452 /nfs/dbraw/zinc/23/84/52/527238452.db2.gz IDPUOHMHXXGOBL-SECBINFHSA-N 1 0 264.285 1.407 20 5 CDBDRO Cc1nn(C)c(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000049568880 527678945 /nfs/dbraw/zinc/67/89/45/527678945.db2.gz ZRDDQAKGZIGYRS-GHMZBOCLSA-N 1 0 279.344 1.675 20 5 CDBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000423718085 535925657 /nfs/dbraw/zinc/92/56/57/535925657.db2.gz BSWWKVAHDJFHNP-QWRGUYRKSA-N 1 0 293.323 1.930 20 5 CDBDRO C[NH2+][C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261669915 536362763 /nfs/dbraw/zinc/36/27/63/536362763.db2.gz ZWKIFNPJQXAWEG-LLVKDONJSA-N 1 0 267.304 1.918 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+](C)C(C)C ZINC000426953134 536886233 /nfs/dbraw/zinc/88/62/33/536886233.db2.gz FNAQJHALOUYGTD-UHFFFAOYSA-N 1 0 295.339 1.673 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[NH2+]CC2)c1 ZINC000237240837 536949065 /nfs/dbraw/zinc/94/90/65/536949065.db2.gz VWVYWNJAINYYKV-UHFFFAOYSA-N 1 0 279.296 1.039 20 5 CDBDRO COc1cccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000423594879 537086224 /nfs/dbraw/zinc/08/62/24/537086224.db2.gz PDQQYSZNPJJLNW-VHSXEESVSA-N 1 0 293.323 1.603 20 5 CDBDRO C[C@@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cn1 ZINC000742428009 574421279 /nfs/dbraw/zinc/42/12/79/574421279.db2.gz XPNQVEXTBIUAQN-SNVBAGLBSA-N 1 0 250.302 1.886 20 5 CDBDRO C[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000768528298 576293596 /nfs/dbraw/zinc/29/35/96/576293596.db2.gz XMKOYOANBBOYAS-MNOVXSKESA-N 1 0 289.339 1.771 20 5 CDBDRO C[C@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC000891752352 617569210 /nfs/dbraw/zinc/56/92/10/617569210.db2.gz ZOAMMTKEEDZZTL-DCAQKATOSA-N 1 0 290.323 1.412 20 5 CDBDRO CCC[N@H+](CC)CCNc1c([N+](=O)[O-])cnn1C ZINC000892772220 617727116 /nfs/dbraw/zinc/72/71/16/617727116.db2.gz UHOFDEMISTVXEY-UHFFFAOYSA-N 1 0 255.322 1.472 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NCC[N@@H+]1CCCC1(C)C ZINC000894130885 618608959 /nfs/dbraw/zinc/60/89/59/618608959.db2.gz LKWHOGBEDFOGQI-UHFFFAOYSA-N 1 0 267.333 1.615 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000894427824 618881650 /nfs/dbraw/zinc/88/16/50/618881650.db2.gz OKNYBOASOVUUCJ-AOOOYVTPSA-N 1 0 280.328 1.751 20 5 CDBDRO C[N@@H+]1CC[C@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000928557104 619368773 /nfs/dbraw/zinc/36/87/73/619368773.db2.gz ZWNFLRLBHDHHFX-JTQLQIEISA-N 1 0 281.287 1.097 20 5 CDBDRO CC(C)Oc1nc(NC[C@H]2CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000895769568 619836000 /nfs/dbraw/zinc/83/60/00/619836000.db2.gz UFOVIGCIQKDFDL-SNVBAGLBSA-N 1 0 280.328 1.893 20 5 CDBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cn(C)nn1 ZINC000902859155 625547958 /nfs/dbraw/zinc/54/79/58/625547958.db2.gz CROYIIHQOLNKBA-JTQLQIEISA-N 1 0 291.311 1.453 20 5 CDBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCC[N+](=O)[O-])C1 ZINC000899873986 622499996 /nfs/dbraw/zinc/49/99/96/622499996.db2.gz XAIXMSPGGFDYNE-JSGCOSHPSA-N 1 0 263.341 1.688 20 5 CDBDRO COc1cc(N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c([N+](=O)[O-])cc1OC ZINC000900427602 623038606 /nfs/dbraw/zinc/03/86/06/623038606.db2.gz CBMSYULHTWSSSX-KXUCPTDWSA-N 1 0 293.323 1.917 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000905036329 626378074 /nfs/dbraw/zinc/37/80/74/626378074.db2.gz RJIDRRVOBQXMHI-CQSZACIVSA-N 1 0 263.341 1.517 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000905171991 626678112 /nfs/dbraw/zinc/67/81/12/626678112.db2.gz WONRJGAFXQPFIO-UHFFFAOYSA-N 1 0 279.218 1.346 20 5 CDBDRO CCO[C@@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H]1Oc1ccccc1 ZINC000905216815 626696628 /nfs/dbraw/zinc/69/66/28/626696628.db2.gz HSQHSNISWAYLLH-MCIONIFRSA-N 1 0 280.324 1.478 20 5 CDBDRO COC(=O)Nc1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905258089 626708764 /nfs/dbraw/zinc/70/87/64/626708764.db2.gz WIKOYXPTWKUOQE-UHFFFAOYSA-N 1 0 253.258 1.231 20 5 CDBDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000905867812 627010332 /nfs/dbraw/zinc/01/03/32/627010332.db2.gz OPRKNLYNJCKGNI-OUJBWJOFSA-N 1 0 293.323 1.546 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](C)([NH3+])C1 ZINC000906636311 627351315 /nfs/dbraw/zinc/35/13/15/627351315.db2.gz SVUIYCWYUXRBTN-ZDUSSCGKSA-N 1 0 295.364 1.880 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@]12CC[C@H]1C[NH2+]C2 ZINC000912272717 629881082 /nfs/dbraw/zinc/88/10/82/629881082.db2.gz WLGZIKGDXNWUIH-FZMZJTMJSA-N 1 0 275.308 1.211 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@H](O)C[NH+]1CCCC1 ZINC000914795128 631574208 /nfs/dbraw/zinc/57/42/08/631574208.db2.gz HLYYEGRPLQSHNL-AWEZNQCLSA-N 1 0 293.367 1.483 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000917483251 632221810 /nfs/dbraw/zinc/22/18/10/632221810.db2.gz CDXMAEINFIUJMV-SNVBAGLBSA-N 1 0 250.302 1.763 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]C2(CO)CC2)c([N+](=O)[O-])c1 ZINC001170310995 1162333575 /nfs/dbraw/zinc/33/35/75/1162333575.db2.gz YCIDVHOOQNGLFP-JTQLQIEISA-N 1 0 280.324 1.649 20 5 CDBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1ncccc1[N+](=O)[O-] ZINC001170515704 1162721621 /nfs/dbraw/zinc/72/16/21/1162721621.db2.gz MUXAIXYVYCMKQU-UHFFFAOYSA-N 1 0 292.295 1.212 20 5 CDBDRO Cc1c(F)cnc(N[C@H](C)[C@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001170564323 1162929198 /nfs/dbraw/zinc/92/91/98/1162929198.db2.gz PWPQHAQZMQHNCC-PSASIEDQSA-N 1 0 284.291 1.226 20 5 CDBDRO O=C(COc1c(Cl)cccc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000236049105 1159438069 /nfs/dbraw/zinc/43/80/69/1159438069.db2.gz JLWABIYJWKHBLP-UHFFFAOYSA-N 1 0 299.714 1.059 20 5 CDBDRO [NH3+][C@H]1CCc2nn(-c3cc([N+](=O)[O-])c4nccn4c3)cc2C1 ZINC001168821601 1161988825 /nfs/dbraw/zinc/98/88/25/1161988825.db2.gz QTGAUQPJWXYLNX-JTQLQIEISA-N 1 0 298.306 1.244 20 5 CDBDRO CCC[N@H+]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@H]2C1 ZINC001157691423 1162287300 /nfs/dbraw/zinc/28/73/00/1162287300.db2.gz PMJLUQIPXBVYLY-PHIMTYICSA-N 1 0 294.330 1.907 20 5 CDBDRO CC[NH2+]CC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000867995994 1164896099 /nfs/dbraw/zinc/89/60/99/1164896099.db2.gz MLOZDWBMHMTQKW-UHFFFAOYSA-N 1 0 251.286 1.129 20 5 CDBDRO C[NH+](C)CCCOC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000869897379 1165119875 /nfs/dbraw/zinc/11/98/75/1165119875.db2.gz RTAXEUSDDDQWRM-UHFFFAOYSA-N 1 0 270.260 1.842 20 5 CDBDRO CC[C@@H]1COCCN1CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000872772443 1165477890 /nfs/dbraw/zinc/47/78/90/1165477890.db2.gz VFYGUPUSIHPQLG-GFCCVEGCSA-N 1 0 294.355 1.821 20 5 CDBDRO COC[C@@](C)(O)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873051681 1165507111 /nfs/dbraw/zinc/50/71/11/1165507111.db2.gz MRHJORVJNYKQSA-AWEZNQCLSA-N 1 0 282.340 1.699 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000876527802 1165864241 /nfs/dbraw/zinc/86/42/41/1165864241.db2.gz FNDWIWYESUPFES-NSHDSACASA-N 1 0 277.324 1.646 20 5 CDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000058233901 1167219459 /nfs/dbraw/zinc/21/94/59/1167219459.db2.gz RSRGHXDQVOLJSY-GFCCVEGCSA-N 1 0 263.297 1.419 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC12C[NH2+]C2 ZINC001579577340 1172216850 /nfs/dbraw/zinc/21/68/50/1172216850.db2.gz ORMMUCXQLBACBE-UHFFFAOYSA-N 1 0 289.335 1.708 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)Oc2cccc(C[NH3+])c2)n1 ZINC001579642552 1172233102 /nfs/dbraw/zinc/23/31/02/1172233102.db2.gz KVQMFCXYHVTRSH-UHFFFAOYSA-N 1 0 287.275 1.976 20 5 CDBDRO Cc1ccc(CNC(=O)[C@H](F)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC001579691872 1172242048 /nfs/dbraw/zinc/24/20/48/1172242048.db2.gz LPOWLCNFIBIZPZ-GFCCVEGCSA-N 1 0 281.287 1.077 20 5 CDBDRO CN(CC[NH+](C)C)c1nc(Cl)ncc1[N+](=O)[O-] ZINC000234231184 1178215729 /nfs/dbraw/zinc/21/57/29/1178215729.db2.gz UUCVQUUWRQLOKF-UHFFFAOYSA-N 1 0 259.697 1.036 20 5 CDBDRO C[NH2+]C[C@H](C)CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000379958335 1187261759 /nfs/dbraw/zinc/26/17/59/1187261759.db2.gz KHXYMXKUCQULOC-ZETCQYMHSA-N 1 0 258.709 1.333 20 5 CDBDRO C[C@@H]1CN(c2cccc([N+](=O)[O-])n2)[C@@H](C)C[N@@H+]1C ZINC001164640731 719169902 /nfs/dbraw/zinc/16/99/02/719169902.db2.gz VQKICMSQCNPADU-ZJUUUORDSA-N 1 0 250.302 1.519 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)n1 ZINC000865905646 1164706957 /nfs/dbraw/zinc/70/69/57/1164706957.db2.gz RASVIEIAACSTEQ-NEPJUHHUSA-N 1 0 276.340 1.686 20 5 CDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H](C)[NH3+] ZINC000877098144 1165975215 /nfs/dbraw/zinc/97/52/15/1165975215.db2.gz OCRSWIOFJCNYLK-VHSXEESVSA-N 1 0 297.380 1.881 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000877592056 1166063879 /nfs/dbraw/zinc/06/38/79/1166063879.db2.gz KRQHCYIZIVQFKQ-IUODEOHRSA-N 1 0 294.351 1.387 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000878812590 1166253089 /nfs/dbraw/zinc/25/30/89/1166253089.db2.gz QYCZHVNGPAWXSA-DTORHVGOSA-N 1 0 272.255 1.297 20 5 CDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[NH2+]C1 ZINC000110939965 1166537338 /nfs/dbraw/zinc/53/73/38/1166537338.db2.gz PDSNPDDJSGIVBI-LLVKDONJSA-N 1 0 295.314 1.948 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1COCCO1 ZINC001173218661 912300623 /nfs/dbraw/zinc/30/06/23/912300623.db2.gz RKVCIEJLBNTSAO-FZMZJTMJSA-N 1 0 280.324 1.531 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)NC1CC1 ZINC001173217111 912302302 /nfs/dbraw/zinc/30/23/02/912302302.db2.gz PEDNHRCVYIHSLA-JTQLQIEISA-N 1 0 277.324 1.394 20 5 CDBDRO CC[NH+](CC)C[C@@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173432847 912459228 /nfs/dbraw/zinc/45/92/28/912459228.db2.gz MRUWVHDKIKRLHQ-LBPRGKRZSA-N 1 0 281.360 1.413 20 5 CDBDRO COc1ncc(Nc2c(C)[nH+]cn2C)cc1[N+](=O)[O-] ZINC001210137548 895089535 /nfs/dbraw/zinc/08/95/35/895089535.db2.gz XMJLSYSZFKKXKE-UHFFFAOYSA-N 1 0 263.257 1.784 20 5 CDBDRO [NH3+][C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000050244016 895564459 /nfs/dbraw/zinc/56/44/59/895564459.db2.gz WVGXNCHBNZJEDI-VIFPVBQESA-N 1 0 255.705 1.781 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CCC(=O)NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000089754207 895756781 /nfs/dbraw/zinc/75/67/81/895756781.db2.gz JFYGTWLRZAEOAG-LDYMZIIASA-N 1 0 277.280 1.051 20 5 CDBDRO [NH3+][C@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000261929513 896032966 /nfs/dbraw/zinc/03/29/66/896032966.db2.gz LJASWPAZMJKAMK-VIFPVBQESA-N 1 0 255.705 1.781 20 5 CDBDRO C[C@@H]1C[C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000235366390 897978018 /nfs/dbraw/zinc/97/80/18/897978018.db2.gz QYVZNJCAGOJYCS-ZYHUDNBSSA-N 1 0 277.324 1.599 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1COC[C@H]1C ZINC000699805434 914291021 /nfs/dbraw/zinc/29/10/21/914291021.db2.gz KWXCZONBRPKAQD-BXKDBHETSA-N 1 0 266.297 1.728 20 5 CDBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000300423829 902307873 /nfs/dbraw/zinc/30/78/73/902307873.db2.gz VYVBPFWSVBPVKF-LEWSCRJBSA-N 1 0 280.324 1.785 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840826727 906399540 /nfs/dbraw/zinc/39/95/40/906399540.db2.gz UFBXUAQSMDPGKN-YDEJPDAXSA-N 1 0 281.312 1.241 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000054264130 906530493 /nfs/dbraw/zinc/53/04/93/906530493.db2.gz OIEFYXIZXDMRSR-UHFFFAOYSA-N 1 0 285.731 1.978 20 5 CDBDRO Cn1c(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000089106374 906956859 /nfs/dbraw/zinc/95/68/59/906956859.db2.gz SQSXEUDYEDLDFO-ZJUUUORDSA-N 1 0 280.328 1.181 20 5 CDBDRO Cc1nc([N+](=O)[O-])c(-c2noc(CC[NH2+]C(C)C)n2)n1C ZINC000843221769 921292861 /nfs/dbraw/zinc/29/28/61/921292861.db2.gz LVKUVMOBBBPGLP-UHFFFAOYSA-N 1 0 294.315 1.227 20 5 CDBDRO C[C@@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000127643346 907749362 /nfs/dbraw/zinc/74/93/62/907749362.db2.gz SNFZVHMSUGBMSA-NSHDSACASA-N 1 0 279.340 1.534 20 5 CDBDRO COc1cc(N[C@H]2C[NH2+]CC[C@H]2F)cnc1[N+](=O)[O-] ZINC001168231845 907954934 /nfs/dbraw/zinc/95/49/34/907954934.db2.gz SIQLFKZAOKTHHC-BDAKNGLRSA-N 1 0 270.264 1.110 20 5 CDBDRO CC(C)([NH3+])Cc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000843233654 921376928 /nfs/dbraw/zinc/37/69/28/921376928.db2.gz MUSFEQJPXJKMFQ-UHFFFAOYSA-N 1 0 256.306 1.337 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000715065441 909795563 /nfs/dbraw/zinc/79/55/63/909795563.db2.gz HGZFHOHMTHQJPT-AOOOYVTPSA-N 1 0 263.297 1.370 20 5 CDBDRO C[NH+](C)C[C@H](CO)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000716783585 910685877 /nfs/dbraw/zinc/68/58/77/910685877.db2.gz VQGROUHNGWINMA-SECBINFHSA-N 1 0 273.720 1.583 20 5 CDBDRO CC(C)[C@@H](CCO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000227011893 911730690 /nfs/dbraw/zinc/73/06/90/911730690.db2.gz NICZYAMAOLKMRB-KGLIPLIRSA-N 1 0 282.340 1.625 20 5 CDBDRO CSC[C@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000229362368 912116982 /nfs/dbraw/zinc/11/69/82/912116982.db2.gz SOAMLIJDAKVUBW-CABZTGNLSA-N 1 0 270.354 1.969 20 5 CDBDRO CN(C)c1cc[nH+]c(NC(=O)CCC(C)(C)[N+](=O)[O-])c1 ZINC000828281512 936368710 /nfs/dbraw/zinc/36/87/10/936368710.db2.gz SXSLCPXAJZFGOD-UHFFFAOYSA-N 1 0 280.328 1.922 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000070075831 917120232 /nfs/dbraw/zinc/12/02/32/917120232.db2.gz APGRIKIPUMGOPD-AOOOYVTPSA-N 1 0 263.297 1.417 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1cnc(CC[NH3+])n1 ZINC001254537027 936404618 /nfs/dbraw/zinc/40/46/18/936404618.db2.gz VTESBYGHCHMZAN-SNVBAGLBSA-N 1 0 275.312 1.491 20 5 CDBDRO COC[C@]1(C)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830530383 936462926 /nfs/dbraw/zinc/46/29/26/936462926.db2.gz ZHKMEFURPFEYRQ-LSDHHAIUSA-N 1 0 294.351 1.987 20 5 CDBDRO CC(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001050519908 936560799 /nfs/dbraw/zinc/56/07/99/936560799.db2.gz LVVOYNOOADLEGA-CHWSQXEVSA-N 1 0 295.383 1.232 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000827674468 936603323 /nfs/dbraw/zinc/60/33/23/936603323.db2.gz IUIOZIGCIREYMN-WDEREUQCSA-N 1 0 271.361 1.373 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000702057677 922464270 /nfs/dbraw/zinc/46/42/70/922464270.db2.gz YPPKLDJRIRRNMN-VIFPVBQESA-N 1 0 283.715 1.812 20 5 CDBDRO CC(C)([NH3+])CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702057822 922465955 /nfs/dbraw/zinc/46/59/55/922465955.db2.gz ZMEAOICSWPZLQO-UHFFFAOYSA-N 1 0 271.704 1.715 20 5 CDBDRO CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001035707835 923033670 /nfs/dbraw/zinc/03/36/70/923033670.db2.gz RKUXCYRUARZOKY-CHWSQXEVSA-N 1 0 295.383 1.376 20 5 CDBDRO CCN1CC[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000708691191 923192748 /nfs/dbraw/zinc/19/27/48/923192748.db2.gz YPVQFWZKPADNLL-ZWNOBZJWSA-N 1 0 277.324 1.866 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000923006784 923436134 /nfs/dbraw/zinc/43/61/34/923436134.db2.gz FEJBXJMNIKUUHW-XYPYZODXSA-N 1 0 266.297 1.464 20 5 CDBDRO CC(C)[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000923344856 923768000 /nfs/dbraw/zinc/76/80/00/923768000.db2.gz GIHVJTXIQJEXSH-CABCVRRESA-N 1 0 293.367 1.558 20 5 CDBDRO C[N@@H+]1CCC[C@]2(CCN(Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000840087492 936937375 /nfs/dbraw/zinc/93/73/75/936937375.db2.gz SZOSFUIZPVXYIC-ZDUSSCGKSA-N 1 0 279.344 1.167 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000841232591 936985733 /nfs/dbraw/zinc/98/57/33/936985733.db2.gz DQRLVKPKSRROJK-ZETCQYMHSA-N 1 0 284.703 1.813 20 5 CDBDRO CCn1cncc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000841888359 937021075 /nfs/dbraw/zinc/02/10/75/937021075.db2.gz XDLHUXHQDUOGJV-UHFFFAOYSA-N 1 0 289.339 1.777 20 5 CDBDRO COc1nc(N[C@H]2CCC[C@H]([NH3+])C2)nc(OC)c1[N+](=O)[O-] ZINC001154987940 926315054 /nfs/dbraw/zinc/31/50/54/926315054.db2.gz ZHLFGWAVZLBWDK-YUMQZZPRSA-N 1 0 297.315 1.084 20 5 CDBDRO COc1nc(NC[C@@H]2C[C@H](F)C[NH2+]2)ccc1[N+](=O)[O-] ZINC001155033686 926430897 /nfs/dbraw/zinc/43/08/97/926430897.db2.gz MBZVEOCFWBZWSA-YUMQZZPRSA-N 1 0 270.264 1.110 20 5 CDBDRO CC[N@@H+]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776277725 926525639 /nfs/dbraw/zinc/52/56/39/926525639.db2.gz OGXXHUYJPIEVGQ-HNNXBMFYSA-N 1 0 293.367 1.656 20 5 CDBDRO CC(C)(CCc1noc(C[C@H]([NH3+])C2CC2)n1)[N+](=O)[O-] ZINC000843232706 937124695 /nfs/dbraw/zinc/12/46/95/937124695.db2.gz AMMBRMDHVDTZAD-VIFPVBQESA-N 1 0 268.317 1.337 20 5 CDBDRO CN1CC[C@@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000712310455 927271432 /nfs/dbraw/zinc/27/14/32/927271432.db2.gz MGCJMLWYZZDGJQ-SECBINFHSA-N 1 0 267.260 1.168 20 5 CDBDRO CC1(Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CCC1 ZINC001156069558 927289427 /nfs/dbraw/zinc/28/94/27/927289427.db2.gz IXVQPLFAYGFHBF-UHFFFAOYSA-N 1 0 292.343 1.149 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000850729789 927457193 /nfs/dbraw/zinc/45/71/93/927457193.db2.gz IGHPEVLHDKXSRC-SSDOTTSWSA-N 1 0 286.719 1.978 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N(CC[NH3+])c2cccnc2)n1 ZINC001168832362 927478479 /nfs/dbraw/zinc/47/84/79/927478479.db2.gz QLBAQQQQUSDCKQ-UHFFFAOYSA-N 1 0 289.295 1.490 20 5 CDBDRO [NH3+][C@H]1CCN(c2ccc(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000062202278 927487577 /nfs/dbraw/zinc/48/75/77/927487577.db2.gz MGRXOYGSEVZQGP-NSHDSACASA-N 1 0 285.307 1.589 20 5 CDBDRO COc1nccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168979460 927567389 /nfs/dbraw/zinc/56/73/89/927567389.db2.gz YFJLUGZYVWKNSI-UWVGGRQHSA-N 1 0 266.301 1.020 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](O)C2)C1 ZINC001168985550 927575221 /nfs/dbraw/zinc/57/52/21/927575221.db2.gz STXLUGFDKNILNS-FVCCEPFGSA-N 1 0 256.346 1.573 20 5 CDBDRO COC(=O)C1CC(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168985404 927575495 /nfs/dbraw/zinc/57/54/95/927575495.db2.gz FBDRDMJOAZYXCE-YYJSSNLHSA-N 1 0 270.329 1.221 20 5 CDBDRO O=C1CCCN1CCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168958274 927579150 /nfs/dbraw/zinc/57/91/50/927579150.db2.gz MFNYEGQFSIFHGA-NEPJUHHUSA-N 1 0 269.345 1.034 20 5 CDBDRO CCOC(=O)CC(C)(C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168962851 927584835 /nfs/dbraw/zinc/58/48/35/927584835.db2.gz NEWHSIVYGRGULF-MNOVXSKESA-N 1 0 272.345 1.753 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2nccnc2Cl)C1 ZINC001168963642 927587928 /nfs/dbraw/zinc/58/79/28/927587928.db2.gz PIIGNAOJLRWUIX-BDAKNGLRSA-N 1 0 270.720 1.665 20 5 CDBDRO O=C(C1CC1)N1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168995022 927600361 /nfs/dbraw/zinc/60/03/61/927600361.db2.gz RAUUUNIPJUJPEM-DRZSPHRISA-N 1 0 281.356 1.032 20 5 CDBDRO CCOc1cc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)ncn1 ZINC001168997002 927602876 /nfs/dbraw/zinc/60/28/76/927602876.db2.gz AWHNJNAJIBJFLO-MNOVXSKESA-N 1 0 280.328 1.410 20 5 CDBDRO CC(C)n1cncc1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168997477 927602949 /nfs/dbraw/zinc/60/29/49/927602949.db2.gz ZTFPDZABCBBJQS-NEPJUHHUSA-N 1 0 266.345 1.999 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2(O)CCCCC2)C1 ZINC001169001003 927605530 /nfs/dbraw/zinc/60/55/30/927605530.db2.gz CDUNCDVXWDHPRG-VXGBXAGGSA-N 1 0 256.346 1.717 20 5 CDBDRO COC(=O)C12CCC([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)(CC1)C2 ZINC001169006519 927611570 /nfs/dbraw/zinc/61/15/70/927611570.db2.gz YITVBMKTNJFZLW-RMNLLRHXSA-N 1 0 296.367 1.897 20 5 CDBDRO COC[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011941 927616639 /nfs/dbraw/zinc/61/66/39/927616639.db2.gz NUTKESCHIWKQJE-UPJWGTAASA-N 1 0 256.346 1.933 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCCC3(COC3)C2)C1 ZINC001169012552 927620720 /nfs/dbraw/zinc/62/07/20/927620720.db2.gz RAQPCCLJYVVTMD-VXGBXAGGSA-N 1 0 254.330 1.544 20 5 CDBDRO [NH3+]C[C@@H]1COc2ccccc2N1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168988149 927624621 /nfs/dbraw/zinc/62/46/21/927624621.db2.gz OKLDMYZOMOHWAA-YNEHKIRRSA-N 1 0 291.351 1.658 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2N2CCOCC2)C1 ZINC001168989914 927629691 /nfs/dbraw/zinc/62/96/91/927629691.db2.gz XSIPJHGGSYAZHJ-QPSCCSFWSA-N 1 0 297.399 1.275 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H](N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001169038607 927646463 /nfs/dbraw/zinc/64/64/63/927646463.db2.gz JGDRMUSJRLIXKV-IHRRRGAJSA-N 1 0 267.373 1.602 20 5 CDBDRO CC[N@H+](CCn1cccn1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039069 927651219 /nfs/dbraw/zinc/65/12/19/927651219.db2.gz MWVVHUFGHFXRMJ-OLZOCXBDSA-N 1 0 266.345 1.650 20 5 CDBDRO CN(C1CC1)[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169044517 927656473 /nfs/dbraw/zinc/65/64/73/927656473.db2.gz HZNRPXLGRSYUFJ-IACUBPJLSA-N 1 0 267.373 1.600 20 5 CDBDRO COC[C@]12COC[C@H]1C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169018904 927660580 /nfs/dbraw/zinc/66/05/80/927660580.db2.gz DHZSSMHDVGRRLU-AAVRWANBSA-N 1 0 284.356 1.027 20 5 CDBDRO CC(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169021446 927663173 /nfs/dbraw/zinc/66/31/73/927663173.db2.gz KWUJRGSANJDKIF-MEBFFEOJSA-N 1 0 295.383 1.134 20 5 CDBDRO COC(=O)CC[N@H+](C1CC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046877 927666178 /nfs/dbraw/zinc/66/61/78/927666178.db2.gz OCQSDGULMJZLQW-CMPLNLGQSA-N 1 0 270.329 1.459 20 5 CDBDRO CCOC(=O)C[N@H+](C1CC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169050441 927668517 /nfs/dbraw/zinc/66/85/17/927668517.db2.gz ZQXIUBXMBVJFSL-PWSUYJOCSA-N 1 0 270.329 1.459 20 5 CDBDRO COc1ccc(-n2ccc([C@@H](C)[NH3+])n2)nc1[N+](=O)[O-] ZINC001169228052 927827298 /nfs/dbraw/zinc/82/72/98/927827298.db2.gz LGEWBDMJFSWYQY-SSDOTTSWSA-N 1 0 263.257 1.204 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1N[C@H]1CCC[C@@H](O)C1)C[NH2+]C2 ZINC001169251675 927892801 /nfs/dbraw/zinc/89/28/01/927892801.db2.gz SOJIAYXNRDKKDM-NWDGAFQWSA-N 1 0 277.324 1.913 20 5 CDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000853646452 928065533 /nfs/dbraw/zinc/06/55/33/928065533.db2.gz SJVMEPPPIUDCDE-QWRGUYRKSA-N 1 0 289.339 1.771 20 5 CDBDRO C[C@](CO)([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000782174980 937241620 /nfs/dbraw/zinc/24/16/20/937241620.db2.gz ADJQHYLVDYAGFR-CQSZACIVSA-N 1 0 264.325 1.888 20 5 CDBDRO CON(C)C(=O)[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000858318794 928838370 /nfs/dbraw/zinc/83/83/70/928838370.db2.gz RQHCEDRBFARULO-JTQLQIEISA-N 1 0 281.312 1.401 20 5 CDBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)C1CC1 ZINC000786798345 929274630 /nfs/dbraw/zinc/27/46/30/929274630.db2.gz AFCSVIMYHHHMEF-ZDUSSCGKSA-N 1 0 292.339 1.247 20 5 CDBDRO Cc1c(NC(=O)CCN(C)C[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000863569064 929573219 /nfs/dbraw/zinc/57/32/19/929573219.db2.gz PLJDIJKUWOEBNO-SNVBAGLBSA-N 1 0 294.355 1.511 20 5 CDBDRO O=[N+]([O-])c1c(F)nccc1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000881868882 929909993 /nfs/dbraw/zinc/90/99/93/929909993.db2.gz QVOYCANKLZYCOV-VHSXEESVSA-N 1 0 296.302 1.404 20 5 CDBDRO O=[N+]([O-])c1c(F)nccc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000881868880 929911089 /nfs/dbraw/zinc/91/10/89/929911089.db2.gz QVOYCANKLZYCOV-NXEZZACHSA-N 1 0 296.302 1.404 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@@H]2C[NH2+]C[C@@H]2CO)cc2cccnc21 ZINC001170781307 929973030 /nfs/dbraw/zinc/97/30/30/929973030.db2.gz JXOQURZBDALIFR-ZYHUDNBSSA-N 1 0 288.307 1.135 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000882479327 930008874 /nfs/dbraw/zinc/00/88/74/930008874.db2.gz STYMTLLVEQWZCB-GFCCVEGCSA-N 1 0 263.297 1.419 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000882478683 930011181 /nfs/dbraw/zinc/01/11/81/930011181.db2.gz BLAGIVNHSDZCKV-LLVKDONJSA-N 1 0 293.323 1.184 20 5 CDBDRO O=C1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CN1CC1CC1 ZINC000883403986 930194674 /nfs/dbraw/zinc/19/46/74/930194674.db2.gz KYDNUMVLECAGMK-ZDUSSCGKSA-N 1 0 289.335 1.695 20 5 CDBDRO CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000884139980 930456701 /nfs/dbraw/zinc/45/67/01/930456701.db2.gz HKTBMOGOYWWQQW-LLVKDONJSA-N 1 0 289.335 1.730 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](C[NH3+])C2)c1C ZINC000884252499 930499506 /nfs/dbraw/zinc/49/95/06/930499506.db2.gz MAJOYQQJKKMQQM-LLVKDONJSA-N 1 0 293.323 1.011 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1cc([N+](=O)[O-])cc(F)c1C ZINC001170866687 930524796 /nfs/dbraw/zinc/52/47/96/930524796.db2.gz WLXLTFIGQFXESE-LLVKDONJSA-N 1 0 257.265 1.512 20 5 CDBDRO C[C@@H](NC[C@@H]1CCC[NH2+]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817952452 930645149 /nfs/dbraw/zinc/64/51/49/930645149.db2.gz QANSBZPZNZRPDW-KOLCDFICSA-N 1 0 264.329 1.580 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCC2(O)CCC2)c1 ZINC000819298692 930779027 /nfs/dbraw/zinc/77/90/27/930779027.db2.gz LSWZSNGDQNOXKA-ZDUSSCGKSA-N 1 0 280.324 1.523 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000885981456 930781311 /nfs/dbraw/zinc/78/13/11/930781311.db2.gz GEKQPYMZQXTSAS-CYBMUJFWSA-N 1 0 276.340 1.660 20 5 CDBDRO C[C@@H]1C[C@H](N(C)Cc2cccnc2[N+](=O)[O-])CC[N@@H+]1C ZINC000886032563 930791544 /nfs/dbraw/zinc/79/15/44/930791544.db2.gz JCRQZXCNWZTOFX-DGCLKSJQSA-N 1 0 278.356 1.904 20 5 CDBDRO CC(C)[NH2+][C@@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886065085 930797499 /nfs/dbraw/zinc/79/74/99/930797499.db2.gz PAJXVZJODKGZHQ-CYBMUJFWSA-N 1 0 278.356 1.952 20 5 CDBDRO CC(C)[C@@H](CCO)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886125070 930810616 /nfs/dbraw/zinc/81/06/16/930810616.db2.gz IWPIKDHEPOIUNI-LLVKDONJSA-N 1 0 253.302 1.486 20 5 CDBDRO CO[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886123310 930811130 /nfs/dbraw/zinc/81/11/30/930811130.db2.gz WPFCXRYLPMJELD-LBPRGKRZSA-N 1 0 265.313 1.991 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@H]([NH3+])C1CC1 ZINC000137319268 930819437 /nfs/dbraw/zinc/81/94/37/930819437.db2.gz RDEPZWUEGFAYHO-LBPRGKRZSA-N 1 0 277.324 1.681 20 5 CDBDRO CC1(C)[C@@H](O)CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886213188 930827569 /nfs/dbraw/zinc/82/75/69/930827569.db2.gz NPXHOSCUHLDKQJ-JTQLQIEISA-N 1 0 251.286 1.335 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](CO)C[C@@H]2CCCO2)c1 ZINC000886232247 930834826 /nfs/dbraw/zinc/83/48/26/930834826.db2.gz STAISZFXWOFUNR-JSGCOSHPSA-N 1 0 280.324 1.614 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000886232226 930834919 /nfs/dbraw/zinc/83/49/19/930834919.db2.gz SICNTAQZSJVIAF-UONOGXRCSA-N 1 0 291.351 1.877 20 5 CDBDRO CN(CC[NH+]1CCCCC1)Cc1cccnc1[N+](=O)[O-] ZINC000886269134 930845523 /nfs/dbraw/zinc/84/55/23/930845523.db2.gz MUCRVTAXPATOJG-UHFFFAOYSA-N 1 0 278.356 1.908 20 5 CDBDRO C[NH+](C)C[C@@H](O)CNc1ccc([N+](=O)[O-])cc1F ZINC000717392682 930847930 /nfs/dbraw/zinc/84/79/30/930847930.db2.gz LOSUGWUXNONQDR-VIFPVBQESA-N 1 0 257.265 1.068 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886571758 930909704 /nfs/dbraw/zinc/90/97/04/930909704.db2.gz HRPOXLFHBOZINF-PHIMTYICSA-N 1 0 282.369 1.395 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)nc1NC[C@H]1CCCC[NH2+]1 ZINC001160145505 931213003 /nfs/dbraw/zinc/21/30/03/931213003.db2.gz RPAHXIRPLGZJJH-SSDOTTSWSA-N 1 0 271.708 1.592 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000822863986 931216715 /nfs/dbraw/zinc/21/67/15/931216715.db2.gz WFMZLGQZJCZRLU-JGVFFNPUSA-N 1 0 277.284 1.414 20 5 CDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@]2(C)C1 ZINC000887925927 931258615 /nfs/dbraw/zinc/25/86/15/931258615.db2.gz VIPBAYBASXNIJH-RISCZKNCSA-N 1 0 283.372 1.232 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000843504894 931503852 /nfs/dbraw/zinc/50/38/52/931503852.db2.gz DFYZNQJGQOJVST-RKDXNWHRSA-N 1 0 299.302 1.355 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC(C)(C[NH3+])C1 ZINC001246596951 932048661 /nfs/dbraw/zinc/04/86/61/932048661.db2.gz KVQLQLSHJVVMRA-NSHDSACASA-N 1 0 263.341 1.806 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118131908 937594530 /nfs/dbraw/zinc/59/45/30/937594530.db2.gz ONYRMCNWAFEPAZ-RKDXNWHRSA-N 1 0 263.297 1.420 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](Nc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C1 ZINC001154986060 937616809 /nfs/dbraw/zinc/61/68/09/937616809.db2.gz QVROCZZWVASYAL-HTQZYQBOSA-N 1 0 286.719 1.563 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2ccc(NC[C@@H]3C[C@H](F)C[NH2+]3)nc21 ZINC001155038015 937624603 /nfs/dbraw/zinc/62/46/03/937624603.db2.gz HKHVQOHECOZFGC-YUMQZZPRSA-N 1 0 279.275 1.583 20 5 CDBDRO COc1ncnc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)c1[N+](=O)[O-] ZINC001155026538 937623095 /nfs/dbraw/zinc/62/30/95/937623095.db2.gz ULZUBOOBZNSHDM-UWVGGRQHSA-N 1 0 295.343 1.441 20 5 CDBDRO COc1ncnc(NC[C@@]2(F)CCCC[NH2+]C2)c1[N+](=O)[O-] ZINC001155115922 937637162 /nfs/dbraw/zinc/63/71/62/937637162.db2.gz CUEHYBNLTMLUDL-GFCCVEGCSA-N 1 0 299.306 1.287 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1C[C@H](CO)C1 ZINC000927145072 933047768 /nfs/dbraw/zinc/04/77/68/933047768.db2.gz NKFGOTTXGFOCCM-GIPNMCIBSA-N 1 0 262.309 1.943 20 5 CDBDRO C[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000928566036 933159389 /nfs/dbraw/zinc/15/93/89/933159389.db2.gz DCFGBTNUKDMKBQ-JTQLQIEISA-N 1 0 288.307 1.510 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+](C)C ZINC000929163095 933210099 /nfs/dbraw/zinc/21/00/99/933210099.db2.gz WBLSLJKOPYMTPD-UHFFFAOYSA-N 1 0 283.353 1.608 20 5 CDBDRO C[C@H]1COC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000932499692 933722494 /nfs/dbraw/zinc/72/24/94/933722494.db2.gz JRPIHAUJMGGSJK-WDEREUQCSA-N 1 0 266.297 1.598 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CCCCCCC2)c1 ZINC000037876914 934830814 /nfs/dbraw/zinc/83/08/14/934830814.db2.gz QMMKPXYOYATVKR-AWEZNQCLSA-N 1 0 296.371 1.855 20 5 CDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cn1nccc1[N+](=O)[O-] ZINC000795700781 934916469 /nfs/dbraw/zinc/91/64/69/934916469.db2.gz LKJQXWRSSMJOCJ-RYUDHWBXSA-N 1 0 279.344 1.307 20 5 CDBDRO O=[N+]([O-])c1ccnn1C[NH+](CC1CC1)CC1CC1 ZINC000115514308 935663131 /nfs/dbraw/zinc/66/31/31/935663131.db2.gz XRYBQDSFMKZWOQ-UHFFFAOYSA-N 1 0 250.302 1.871 20 5 CDBDRO C[C@@H](CNC(=O)CC1([NH3+])CC1)c1ccccc1[N+](=O)[O-] ZINC001122354180 937924393 /nfs/dbraw/zinc/92/43/93/937924393.db2.gz ORUSUHKFMUHFFT-JTQLQIEISA-N 1 0 277.324 1.696 20 5 CDBDRO [NH3+][C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001122575908 937943201 /nfs/dbraw/zinc/94/32/01/937943201.db2.gz PGUUVDUMKZMALC-UKJIMTQDSA-N 1 0 275.308 1.304 20 5 CDBDRO COC(=O)C1(Nc2ncc(C)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001156529458 938379482 /nfs/dbraw/zinc/37/94/82/938379482.db2.gz SFQJGGBZJOMNIA-UHFFFAOYSA-N 1 0 294.311 1.005 20 5 CDBDRO C[N@@H+]1CC[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001156581239 938389041 /nfs/dbraw/zinc/38/90/41/938389041.db2.gz GHLJFZOMRVZONJ-VIFPVBQESA-N 1 0 273.296 1.654 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001156849854 938425541 /nfs/dbraw/zinc/42/55/41/938425541.db2.gz HFYOGWJKUVLQBW-UHFFFAOYSA-N 1 0 279.687 1.372 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NC(=N)SCC[NH3+] ZINC001157129305 938457831 /nfs/dbraw/zinc/45/78/31/938457831.db2.gz XBNKUZHHDBTANQ-UHFFFAOYSA-N 1 0 255.303 1.337 20 5 CDBDRO C[NH+](C)CC(C)(C)CNc1ncc([N+](=O)[O-])cc1N ZINC001157944091 938567486 /nfs/dbraw/zinc/56/74/86/938567486.db2.gz ARAIFLYFTJWSIY-UHFFFAOYSA-N 1 0 267.333 1.572 20 5 CDBDRO C[C@@H]1CN(c2ncnc3cc([N+](=O)[O-])ccc32)C[C@H](C)[NH2+]1 ZINC001158177324 938591453 /nfs/dbraw/zinc/59/14/53/938591453.db2.gz SWXWFFYDNKTVMM-AOOOYVTPSA-N 1 0 287.323 1.725 20 5 CDBDRO C[C@@H]([NH3+])c1ccn(-c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])n1 ZINC001158351195 938613128 /nfs/dbraw/zinc/61/31/28/938613128.db2.gz XBWNMRLVLYXAJX-ZCFIWIBFSA-N 1 0 283.675 1.087 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC[N@@H+]4CC[C@@H]4C3)nc21 ZINC001158431650 938625070 /nfs/dbraw/zinc/62/50/70/938625070.db2.gz FPTVQQINRPOLHD-SECBINFHSA-N 1 0 273.296 1.365 20 5 CDBDRO COc1cnc(N2CC3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001159019348 938691385 /nfs/dbraw/zinc/69/13/85/938691385.db2.gz HKRICFRCBTZIKJ-UHFFFAOYSA-N 1 0 278.312 1.188 20 5 CDBDRO CN(C)/C=C/c1cc(NCC2C[NH+](C)C2)ncc1[N+](=O)[O-] ZINC001159219380 938713098 /nfs/dbraw/zinc/71/30/98/938713098.db2.gz HOLWKPWWMQLKNI-SNAWJCMRSA-N 1 0 291.355 1.496 20 5 CDBDRO C[C@H](Nc1cc([N+](=O)[O-])c2cc[nH]c2n1)[C@H]1C[NH2+]CCO1 ZINC001159496741 938733705 /nfs/dbraw/zinc/73/37/05/938733705.db2.gz FLUKAMYZFUWCLT-GZMMTYOYSA-N 1 0 291.311 1.260 20 5 CDBDRO CCOc1nc(N[C@@H](C)[C@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC001159498231 938734467 /nfs/dbraw/zinc/73/44/67/938734467.db2.gz KXRFHRCPPYDSHA-GXSJLCMTSA-N 1 0 296.327 1.177 20 5 CDBDRO O=[N+]([O-])c1ccc2ccc(N[C@H]3C[NH2+]C[C@@H]3CO)nc2c1 ZINC001159673066 938744350 /nfs/dbraw/zinc/74/43/50/938744350.db2.gz UMUBABQCTFPMCN-MFKMUULPSA-N 1 0 288.307 1.135 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1NC[C@H]1CCCC[NH2+]1 ZINC001160147034 938771341 /nfs/dbraw/zinc/77/13/41/938771341.db2.gz GZKJCPHMYFUYGV-MRVPVSSYSA-N 1 0 286.719 1.436 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC[C@H]1CCCC[NH2+]1 ZINC001160148695 938771785 /nfs/dbraw/zinc/77/17/85/938771785.db2.gz VHWVTYDGVUUUFP-SNVBAGLBSA-N 1 0 266.301 1.091 20 5 CDBDRO C[NH+](C)CC(C)(C)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001160841803 938832695 /nfs/dbraw/zinc/83/26/95/938832695.db2.gz VPSBHQOOYAXNNP-UHFFFAOYSA-N 1 0 289.723 1.041 20 5 CDBDRO COc1nc(N[C@@H](C[NH3+])C(C)(C)C)ncc1[N+](=O)[O-] ZINC001160912823 938842466 /nfs/dbraw/zinc/84/24/66/938842466.db2.gz VECFPWMZAWDBIK-QMMMGPOBSA-N 1 0 269.305 1.179 20 5 CDBDRO CC(=O)N1CCc2cc(NCC[NH+](C)C)cc([N+](=O)[O-])c21 ZINC001161671727 938918884 /nfs/dbraw/zinc/91/88/84/938918884.db2.gz WWKRKNJOAXTMRL-UHFFFAOYSA-N 1 0 292.339 1.477 20 5 CDBDRO COc1nc(NCCCC[NH+](C)C)nc(C)c1[N+](=O)[O-] ZINC001161724306 938926504 /nfs/dbraw/zinc/92/65/04/938926504.db2.gz GOYRXRHBFATDQC-UHFFFAOYSA-N 1 0 283.332 1.456 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ccnc1N[C@@H]1C=C[C@@H]2C[NH2+]C[C@@H]12 ZINC001162789322 939139466 /nfs/dbraw/zinc/13/94/66/939139466.db2.gz CIIBNBNWXBROSQ-NQMVMOMDSA-N 1 0 280.715 1.829 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(NC[C@]23C[NH2+]C[C@H]2COC3)c1 ZINC001163154490 939214916 /nfs/dbraw/zinc/21/49/16/939214916.db2.gz VCOAORHXLCGNHG-ZANVPECISA-N 1 0 297.742 1.896 20 5 CDBDRO [NH3+]C1(CNc2cc(Cl)ncc2[N+](=O)[O-])CCC1 ZINC001163321047 939246376 /nfs/dbraw/zinc/24/63/76/939246376.db2.gz KRTJMJUJYJWHSH-UHFFFAOYSA-N 1 0 256.693 1.937 20 5 CDBDRO [NH3+]C1(CNc2cc(Cl)cc([N+](=O)[O-])n2)CCC1 ZINC001163320995 939246424 /nfs/dbraw/zinc/24/64/24/939246424.db2.gz IBQXABISMBXPHW-UHFFFAOYSA-N 1 0 256.693 1.937 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)n1 ZINC001163322432 939246820 /nfs/dbraw/zinc/24/68/20/939246820.db2.gz ICXRCKYBRFOHCE-FZMZJTMJSA-N 1 0 292.339 1.621 20 5 CDBDRO [NH3+]C1(CNc2nccc(Cl)c2[N+](=O)[O-])CCC1 ZINC001163322740 939247161 /nfs/dbraw/zinc/24/71/61/939247161.db2.gz ZLTOQTUZSVJZSR-UHFFFAOYSA-N 1 0 256.693 1.937 20 5 CDBDRO COc1cc(C)nc(-n2cnc3c2C[NH2+]CC3)c1[N+](=O)[O-] ZINC001164313986 939452659 /nfs/dbraw/zinc/45/26/59/939452659.db2.gz YJJXTGLUFIPFOI-UHFFFAOYSA-N 1 0 289.295 1.138 20 5 CDBDRO C[C@H]1CC[C@@H](C[NH3+])CN1c1cccc([N+](=O)[O-])n1 ZINC001164463179 939475859 /nfs/dbraw/zinc/47/58/59/939475859.db2.gz XQTAMXGHZSCCQW-UWVGGRQHSA-N 1 0 250.302 1.553 20 5 CDBDRO Cc1cnc(-n2ncc3c2CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001165218958 939526495 /nfs/dbraw/zinc/52/64/95/939526495.db2.gz SWQCDNMQNLEGOK-UHFFFAOYSA-N 1 0 259.269 1.130 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1N1CCC(C2C[NH2+]C2)CC1 ZINC001165409292 939559971 /nfs/dbraw/zinc/55/99/71/939559971.db2.gz AERGDTJBOOQKIU-UHFFFAOYSA-N 1 0 277.328 1.008 20 5 CDBDRO Cc1cnc(N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)c([N+](=O)[O-])c1 ZINC001165427503 939563398 /nfs/dbraw/zinc/56/33/98/939563398.db2.gz PTFASBOOFHHLLI-MNOVXSKESA-N 1 0 294.330 1.811 20 5 CDBDRO COc1cc(C)c([N+](=O)[O-])cc1-n1ccnc1CC[NH3+] ZINC001166369376 939606364 /nfs/dbraw/zinc/60/63/64/939606364.db2.gz CGLVBVIXCYIMOH-UHFFFAOYSA-N 1 0 276.296 1.599 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(N2C[C@@H]([NH3+])[C@@H](F)C2)nc1Cl ZINC001166928744 939651070 /nfs/dbraw/zinc/65/10/70/939651070.db2.gz ODJUEPOANBRLJE-NKWVEPMBSA-N 1 0 274.683 1.437 20 5 CDBDRO O=[N+]([O-])c1ccc2ncccc2c1O[C@H]1CC[NH2+]C1 ZINC001218183953 941043580 /nfs/dbraw/zinc/04/35/80/941043580.db2.gz VWPPACNGPJNRKC-VIFPVBQESA-N 1 0 259.265 1.884 20 5 CDBDRO O=[N+]([O-])c1cccc(O[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001218286812 941052099 /nfs/dbraw/zinc/05/20/99/941052099.db2.gz VCVNFQTVUXGJDF-MRVPVSSYSA-N 1 0 267.241 1.634 20 5 CDBDRO C[NH2+]CCC(=O)Nc1cc2nc3ccccc3nc2cc1N ZINC001218857665 941280214 /nfs/dbraw/zinc/28/02/14/941280214.db2.gz NPTXREGMMPIYRB-UHFFFAOYSA-N 1 0 295.346 1.913 20 5 CDBDRO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@H](C)C[NH+](C)C ZINC001222772410 941632812 /nfs/dbraw/zinc/63/28/12/941632812.db2.gz BTJRIWGDWAMCJE-SNVBAGLBSA-N 1 0 296.323 1.848 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCc1ccc([N+](=O)[O-])nc1 ZINC001224115975 941722069 /nfs/dbraw/zinc/72/20/69/941722069.db2.gz XTXGLOSDSOMGAD-SNVBAGLBSA-N 1 0 254.310 1.601 20 5 CDBDRO C[C@@H](OCCN1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC001224549083 941768791 /nfs/dbraw/zinc/76/87/91/941768791.db2.gz JMSWCTKHPFXKOD-CYBMUJFWSA-N 1 0 293.367 1.920 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CO[C@@H](C[N+](=O)[O-])c1cccnc1 ZINC001224701385 941784453 /nfs/dbraw/zinc/78/44/53/941784453.db2.gz FKPUOVRVUMXBJF-KGLIPLIRSA-N 1 0 279.340 1.900 20 5 CDBDRO C[N+](C)(C)CCOC1CCN(c2ccnc(Cl)n2)CC1 ZINC001224772674 941790159 /nfs/dbraw/zinc/79/01/59/941790159.db2.gz BKGNHTFLISPANQ-UHFFFAOYSA-N 1 0 299.826 1.822 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2c(c1)C(=O)CC2 ZINC001225362103 941848837 /nfs/dbraw/zinc/84/88/37/941848837.db2.gz ZXDGWFASGNVGRE-GFCCVEGCSA-N 1 0 292.355 1.178 20 5 CDBDRO O=[N+]([O-])c1ccc(O[C@H]2CCc3nccn3C2)nc1 ZINC001225634736 941892486 /nfs/dbraw/zinc/89/24/86/941892486.db2.gz NLZBFENLHIKRLA-JTQLQIEISA-N 1 0 260.253 1.580 20 5 CDBDRO COc1cc(O[C@H]2CCC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC001226581319 942030023 /nfs/dbraw/zinc/03/00/23/942030023.db2.gz NWGCOGQSOZWNAJ-VIFPVBQESA-N 1 0 267.285 1.471 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(O[C@H]2CCC[N@@H+](C)C2)n1 ZINC001227062139 942123970 /nfs/dbraw/zinc/12/39/70/942123970.db2.gz GOLFXRPGQHWSQK-JTQLQIEISA-N 1 0 251.286 1.771 20 5 CDBDRO COCC[NH+]1CCC(Oc2ccc(C)nc2[N+](=O)[O-])CC1 ZINC001227222530 942152019 /nfs/dbraw/zinc/15/20/19/942152019.db2.gz QFFCDGZZRYAIFD-UHFFFAOYSA-N 1 0 295.339 1.788 20 5 CDBDRO CC/C=C/CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001227258870 942159024 /nfs/dbraw/zinc/15/90/24/942159024.db2.gz WGVNHQVAVZRGAO-LSMGEYOZSA-N 1 0 295.383 1.589 20 5 CDBDRO Cc1cc(C)c(OC[C@H]2CN(C)CCO2)c([N+](=O)[O-])c1 ZINC001228238508 942283937 /nfs/dbraw/zinc/28/39/37/942283937.db2.gz WDPAENCGCDKJHT-GFCCVEGCSA-N 1 0 280.324 1.921 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1n[nH]c(=O)c2c1CCCC2 ZINC001229221706 942435483 /nfs/dbraw/zinc/43/54/83/942435483.db2.gz WQTTVAOYIZZOAM-JTQLQIEISA-O 1 0 266.365 1.535 20 5 CDBDRO COCC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001229741742 942523819 /nfs/dbraw/zinc/52/38/19/942523819.db2.gz PZZMSIJVYPHIAJ-GFCCVEGCSA-N 1 0 266.361 1.989 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(Cl)ncc1F ZINC001233911047 943688715 /nfs/dbraw/zinc/68/87/15/943688715.db2.gz GTDLUSWAJFFDJO-MRVPVSSYSA-N 1 0 291.730 1.237 20 5 CDBDRO CNC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001233982618 943707847 /nfs/dbraw/zinc/70/78/47/943707847.db2.gz MPOZEVHIMXRBBZ-NSHDSACASA-O 1 0 251.350 1.520 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(S(C)(=O)=O)c1 ZINC001234543407 943887879 /nfs/dbraw/zinc/88/78/79/943887879.db2.gz HZBLYWYFBNFPQH-LLVKDONJSA-N 1 0 272.390 1.564 20 5 CDBDRO CCc1cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1OC ZINC001234644139 943924006 /nfs/dbraw/zinc/92/40/06/943924006.db2.gz INCWHMPVTSKOLE-CYBMUJFWSA-N 1 0 296.387 1.620 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(O[C@H](C)C[NH+](C)C)n1 ZINC001234880249 943965244 /nfs/dbraw/zinc/96/52/44/943965244.db2.gz ZGHXUZQQQHURRQ-MRVPVSSYSA-N 1 0 255.274 1.327 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1ccnc1C(N)=[NH2+] ZINC001254536082 947516275 /nfs/dbraw/zinc/51/62/75/947516275.db2.gz AHCVATCGSZNEPS-SECBINFHSA-N 1 0 273.296 1.879 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC(=O)NC1 ZINC001254537911 947516582 /nfs/dbraw/zinc/51/65/82/947516582.db2.gz JPWVBFCXWLNMGQ-VXGBXAGGSA-N 1 0 291.351 1.642 20 5 CDBDRO CO[C@@H]1C[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC001254550480 947523021 /nfs/dbraw/zinc/52/30/21/947523021.db2.gz KPZQRDRPUGRRAR-DFBGVHRSSA-N 1 0 294.351 1.871 20 5 CDBDRO Cn1cnc(CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254566359 947528677 /nfs/dbraw/zinc/52/86/77/947528677.db2.gz JONNIXMVNIOBDO-CQSZACIVSA-N 1 0 286.335 1.628 20 5 CDBDRO COCCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254569499 947530430 /nfs/dbraw/zinc/53/04/30/947530430.db2.gz YTULMDYRTAHJJZ-GFCCVEGCSA-N 1 0 250.298 1.688 20 5 CDBDRO CCN(CC)CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254568468 947531465 /nfs/dbraw/zinc/53/14/65/947531465.db2.gz ULBKFXXIJJCOLN-AWEZNQCLSA-N 1 0 277.368 1.993 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCCn1ccnc1)C2 ZINC001254568392 947531715 /nfs/dbraw/zinc/53/17/15/947531715.db2.gz UEMYLOCMDRDLSR-CQSZACIVSA-N 1 0 286.335 1.938 20 5 CDBDRO CC1(CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)OCCO1 ZINC001254576856 947533192 /nfs/dbraw/zinc/53/31/92/947533192.db2.gz AENCMPBHEFQDQD-ZDUSSCGKSA-N 1 0 292.335 1.805 20 5 CDBDRO C[C@@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@H]1O ZINC001254593962 947544936 /nfs/dbraw/zinc/54/49/36/947544936.db2.gz OKACKFJKESWSKR-WKPIXPDZSA-N 1 0 276.336 1.765 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001246524531 948227240 /nfs/dbraw/zinc/22/72/40/948227240.db2.gz GNCCSQKSOIASNI-BIMULSAOSA-N 1 0 267.304 1.507 20 5 CDBDRO N[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@H]1F ZINC001246568758 948288625 /nfs/dbraw/zinc/28/86/25/948288625.db2.gz AYWFSTOODOXAEO-RBSFLKMASA-N 1 0 293.342 1.823 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@H]2C[NH2+]C[C@@H]21 ZINC001246923730 948522840 /nfs/dbraw/zinc/52/28/40/948522840.db2.gz ZAQBMBFHSRAOCE-QKCSRTOESA-N 1 0 261.325 1.429 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(OC[C@H]2CCC[NH2+]C2)n1 ZINC001326052062 954198813 /nfs/dbraw/zinc/19/88/13/954198813.db2.gz KYXWDXVDDLFYMZ-NSHDSACASA-N 1 0 265.313 1.985 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N(C)C[C@@H]1CCC[N@@H+]1C ZINC001326197882 954262076 /nfs/dbraw/zinc/26/20/76/954262076.db2.gz FLJJOJFGQWOJGW-NSHDSACASA-N 1 0 264.329 1.829 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)OCCC[NH+](C)C ZINC001327717100 955013430 /nfs/dbraw/zinc/01/34/30/955013430.db2.gz UJAOFECHJYLJQP-UHFFFAOYSA-N 1 0 281.312 1.745 20 5 CDBDRO O=c1c2cc([N+](=O)[O-])ccc2ncn1C[C@H]1CCC[NH2+]C1 ZINC001328182273 955215934 /nfs/dbraw/zinc/21/59/34/955215934.db2.gz WQMPUDNEKQIYPE-JTQLQIEISA-N 1 0 288.307 1.304 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC001329464970 955930540 /nfs/dbraw/zinc/93/05/40/955930540.db2.gz DNFXYASMPLXHQM-JTQLQIEISA-N 1 0 278.312 1.070 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001331273654 956934338 /nfs/dbraw/zinc/93/43/38/956934338.db2.gz BPQFHDLXVHVHIN-UHFFFAOYSA-N 1 0 296.302 1.903 20 5 CDBDRO Cc1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001321672307 959899805 /nfs/dbraw/zinc/89/98/05/959899805.db2.gz IRCMIKWSFSPWCR-UHFFFAOYSA-N 1 0 276.296 1.795 20 5 CDBDRO C[C@@H](CC(C)(C)O)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001336781746 960581394 /nfs/dbraw/zinc/58/13/94/960581394.db2.gz VRTKAFJGQFVCNN-GWCFXTLKSA-N 1 0 282.340 1.767 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC001337357525 961135881 /nfs/dbraw/zinc/13/58/81/961135881.db2.gz OWPGTDHSXHKKAI-AWEZNQCLSA-N 1 0 289.335 1.727 20 5 CDBDRO Nc1cc(N2CC[C@H]([NH+]3CC=CC3)C2)ncc1[N+](=O)[O-] ZINC001337787856 961420254 /nfs/dbraw/zinc/42/02/54/961420254.db2.gz KKAHMOVGHZKEQC-JTQLQIEISA-N 1 0 275.312 1.023 20 5 CDBDRO [NH3+][C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001340262529 962846900 /nfs/dbraw/zinc/84/69/00/962846900.db2.gz QOZBNGDWEFJGNR-BFHYXJOUSA-N 1 0 289.335 1.552 20 5 CDBDRO CC1(c2nc(-c3ccc([N+](=O)[O-])s3)no2)C[NH2+]C1 ZINC001345669000 964776912 /nfs/dbraw/zinc/77/69/12/964776912.db2.gz IQXNWRIVMNXYLX-UHFFFAOYSA-N 1 0 266.282 1.567 20 5 CDBDRO Cc1noc(CN2CCC[C@@](C)(CO)C2)c1[N+](=O)[O-] ZINC001347104975 965372911 /nfs/dbraw/zinc/37/29/11/965372911.db2.gz RQXOKMRXTZBFNQ-GFCCVEGCSA-N 1 0 269.301 1.486 20 5 CDBDRO Cc1nc(N2CC[N@@H+](C)C[C@@H]2CC(C)C)ncc1[N+](=O)[O-] ZINC001352087455 967091426 /nfs/dbraw/zinc/09/14/26/967091426.db2.gz AHQGGLFJXHKYGE-LBPRGKRZSA-N 1 0 293.371 1.860 20 5 CDBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001353498026 968019676 /nfs/dbraw/zinc/01/96/76/968019676.db2.gz MTHPVAHEZRPBTH-SECBINFHSA-N 1 0 283.332 1.168 20 5 CDBDRO CN(C(=[NH2+])NCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000848982720 969376867 /nfs/dbraw/zinc/37/68/67/969376867.db2.gz FVXQCYILCIFJBE-UHFFFAOYSA-N 1 0 277.328 1.625 20 5 CDBDRO CC[NH2+][C@@H](C)C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001523389384 970706767 /nfs/dbraw/zinc/70/67/67/970706767.db2.gz NPOKKJIDDWNZEZ-MNOVXSKESA-N 1 0 279.340 1.813 20 5 CDBDRO Cc1nc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])[nH]c1C ZINC000600162125 341981627 /nfs/dbraw/zinc/98/16/27/341981627.db2.gz SYDNCPVGZKKGIB-UHFFFAOYSA-N 1 0 289.339 1.900 20 5 CDBDRO CC[N@@H+]1CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601131504 342474617 /nfs/dbraw/zinc/47/46/17/342474617.db2.gz ZLFSKVYAFUKWOQ-UHFFFAOYSA-N 1 0 295.314 1.902 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1CN1C[C@@H]3C[C@@H]3C1)OCCO2 ZINC000600193171 341984429 /nfs/dbraw/zinc/98/44/29/341984429.db2.gz WQSCLTGCOXVSHH-AOOOYVTPSA-N 1 0 276.292 1.818 20 5 CDBDRO [NH3+]CC1(CC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000564824285 365527885 /nfs/dbraw/zinc/52/78/85/365527885.db2.gz CEZXMDGSRUIMTF-UHFFFAOYSA-N 1 0 263.297 1.340 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000070172063 361738351 /nfs/dbraw/zinc/73/83/51/361738351.db2.gz ABLCTXDXRCSQPB-WCQYABFASA-N 1 0 291.351 1.723 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC000262793855 361762642 /nfs/dbraw/zinc/76/26/42/361762642.db2.gz DKVYDGOYQBHHAT-RKDXNWHRSA-N 1 0 295.343 1.141 20 5 CDBDRO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000235310423 342049146 /nfs/dbraw/zinc/04/91/46/342049146.db2.gz QIZAXAVTZOMEIR-YRGRVCCFSA-N 1 0 296.371 1.711 20 5 CDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])nc1 ZINC000590693294 342583360 /nfs/dbraw/zinc/58/33/60/342583360.db2.gz QUSKTRYFHJSZSA-CMPLNLGQSA-N 1 0 264.329 1.766 20 5 CDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000590696093 342583564 /nfs/dbraw/zinc/58/35/64/342583564.db2.gz YXYUNAJEUWPJDV-NXEZZACHSA-N 1 0 250.302 1.519 20 5 CDBDRO C[NH+](C)C(C)(C)CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000041297323 342102687 /nfs/dbraw/zinc/10/26/87/342102687.db2.gz ONWLOKQBRVLNJE-UHFFFAOYSA-N 1 0 295.339 1.430 20 5 CDBDRO CNc1ccc(C(=O)N[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000565479437 365664617 /nfs/dbraw/zinc/66/46/17/365664617.db2.gz ANRYARYZXKHOSS-NSHDSACASA-N 1 0 278.312 1.104 20 5 CDBDRO C[C@H](C(=O)NC[C@H](C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000591085288 342616846 /nfs/dbraw/zinc/61/68/46/342616846.db2.gz XJSKLKBSMRGKFE-QWRGUYRKSA-N 1 0 279.340 1.765 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000591444753 342632582 /nfs/dbraw/zinc/63/25/82/342632582.db2.gz NXMVPTACOKNUQR-UWVGGRQHSA-N 1 0 282.369 1.877 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1cccnc1 ZINC000611572225 346828922 /nfs/dbraw/zinc/82/89/22/346828922.db2.gz DNNBPXIYTRXMOH-SNVBAGLBSA-N 1 0 275.312 1.846 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3CC[NH2+][C@@H]3C2)c(Cl)c1 ZINC000591439308 342632081 /nfs/dbraw/zinc/63/20/81/342632081.db2.gz SNRWHPXOPFXBBC-LDYMZIIASA-N 1 0 282.731 1.831 20 5 CDBDRO Cc1nc([N+](=O)[O-])cn1CCc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592356709 342688087 /nfs/dbraw/zinc/68/80/87/342688087.db2.gz FYYKRMKLYUHOCY-VIFPVBQESA-N 1 0 292.299 1.150 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000209449303 342169445 /nfs/dbraw/zinc/16/94/45/342169445.db2.gz OGUDLFFHTKJGJM-SKDRFNHKSA-N 1 0 276.296 1.420 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C)CCC[NH+](C)C)n1 ZINC000166768355 362000443 /nfs/dbraw/zinc/00/04/43/362000443.db2.gz BKGTVOBEYDZSEV-UHFFFAOYSA-N 1 0 296.327 1.164 20 5 CDBDRO Cn1c(C(=O)NCCC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000593919003 342851416 /nfs/dbraw/zinc/85/14/16/342851416.db2.gz LSRYWEVPJBUMLS-UHFFFAOYSA-N 1 0 280.328 1.053 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000209509547 342224517 /nfs/dbraw/zinc/22/45/17/342224517.db2.gz SZDKTWORUNNZBL-PELKAZGASA-N 1 0 251.261 1.532 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1COCCN1)CCC2 ZINC000600707683 342243296 /nfs/dbraw/zinc/24/32/96/342243296.db2.gz ACVNCAAGWGEEPX-DOMZBBRYSA-N 1 0 291.351 1.550 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN(C)CCC[NH3+] ZINC000123327503 342264208 /nfs/dbraw/zinc/26/42/08/342264208.db2.gz IRFZQVKDXVDGRJ-UHFFFAOYSA-N 1 0 253.302 1.384 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C/C=C/CO ZINC000594974579 342992936 /nfs/dbraw/zinc/99/29/36/342992936.db2.gz MLKLWTFXFBVOPJ-ONEGZZNKSA-N 1 0 266.297 1.632 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2C[C@]2(C)OC)cc1[N+](=O)[O-] ZINC000594997016 342994913 /nfs/dbraw/zinc/99/49/13/342994913.db2.gz XDJLHEZEYPUWNN-OLZOCXBDSA-N 1 0 266.297 1.870 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000595275183 343021511 /nfs/dbraw/zinc/02/15/11/343021511.db2.gz IRWFLKDFSOJQBP-SNVBAGLBSA-N 1 0 294.355 1.737 20 5 CDBDRO CC(C)(C)[NH2+]CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000075652025 342314108 /nfs/dbraw/zinc/31/41/08/342314108.db2.gz PWQOYCZCKIYCNZ-UHFFFAOYSA-N 1 0 295.339 1.478 20 5 CDBDRO CC[NH+]1CCN(CCNc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000269963199 190576791 /nfs/dbraw/zinc/57/67/91/190576791.db2.gz VQRPWXZGXZDCKN-UHFFFAOYSA-N 1 0 292.383 1.953 20 5 CDBDRO C[C@@H]1[C@@H](C)[S@@](=O)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000076824314 342323612 /nfs/dbraw/zinc/32/36/12/342323612.db2.gz UWXZKZWLCQLEHE-FKANQGBASA-N 1 0 296.392 1.979 20 5 CDBDRO C[C@H]1CCC[N@H+](CCNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000079914731 342348393 /nfs/dbraw/zinc/34/83/93/342348393.db2.gz XFHLBMWBDYLYNW-VIFPVBQESA-N 1 0 280.332 1.111 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000595929574 343184110 /nfs/dbraw/zinc/18/41/10/343184110.db2.gz KPUDATQPFAYQCE-NSHDSACASA-N 1 0 295.295 1.318 20 5 CDBDRO O=C1CC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1 ZINC000595744313 343150373 /nfs/dbraw/zinc/15/03/73/343150373.db2.gz VTZTVUGCJBMUKO-JSGCOSHPSA-N 1 0 289.335 1.695 20 5 CDBDRO CN1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000595780937 343154116 /nfs/dbraw/zinc/15/41/16/343154116.db2.gz DPTRMCVGBHXYHI-UHFFFAOYSA-N 1 0 277.324 1.301 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000595985112 343212022 /nfs/dbraw/zinc/21/20/22/343212022.db2.gz WZRWRUPVJLHEBD-JTQLQIEISA-N 1 0 265.313 1.549 20 5 CDBDRO CN(CCOc1cccc([N+](=O)[O-])c1)CC(C)(C)[NH3+] ZINC000595898188 343186411 /nfs/dbraw/zinc/18/64/11/343186411.db2.gz GEPJEOGOAKSRLF-UHFFFAOYSA-N 1 0 267.329 1.643 20 5 CDBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc(N)c([N+](=O)[O-])n1 ZINC000596129445 343238014 /nfs/dbraw/zinc/23/80/14/343238014.db2.gz PZPMWWZJDJGECV-JTQLQIEISA-N 1 0 279.344 1.350 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087356826 342385055 /nfs/dbraw/zinc/38/50/55/342385055.db2.gz GTHKOBVTONRFBU-GFCCVEGCSA-N 1 0 293.367 1.984 20 5 CDBDRO CC(C)[NH2+]C1(CO)CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000596250575 343274470 /nfs/dbraw/zinc/27/44/70/343274470.db2.gz GEFCHCXYCQJRQT-UHFFFAOYSA-N 1 0 299.396 1.986 20 5 CDBDRO CC[C@H](C)[NH+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596259199 343277560 /nfs/dbraw/zinc/27/75/60/343277560.db2.gz UOSFHFPKEDVOKB-JTQLQIEISA-N 1 0 280.328 1.616 20 5 CDBDRO Cc1c(C(=O)N2CC(C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000597709559 343606565 /nfs/dbraw/zinc/60/65/65/343606565.db2.gz XXSLDQAISVEXSZ-UHFFFAOYSA-N 1 0 277.324 1.537 20 5 CDBDRO C[C@@H](CCNC(=O)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000597997131 343684842 /nfs/dbraw/zinc/68/48/42/343684842.db2.gz MBAYLYGKDNMKSF-JTQLQIEISA-N 1 0 265.313 1.665 20 5 CDBDRO Cc1cccc(C(=O)NCC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000597997611 343685221 /nfs/dbraw/zinc/68/52/21/343685221.db2.gz NRWJLUOFMXDNMK-NSHDSACASA-N 1 0 279.340 1.973 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000598341631 343770448 /nfs/dbraw/zinc/77/04/48/343770448.db2.gz FBZXEXOXLXAJAM-CYBMUJFWSA-N 1 0 291.351 1.738 20 5 CDBDRO COC(=O)c1ccnc(SCC[NH+](C)C)c1[N+](=O)[O-] ZINC000598604441 343851508 /nfs/dbraw/zinc/85/15/08/343851508.db2.gz RJCAKCKPVYAYDA-UHFFFAOYSA-N 1 0 285.325 1.430 20 5 CDBDRO C[NH2+]C1(CNc2ccc([N+](=O)[O-])c(OC(C)C)n2)CCC1 ZINC000598635246 343862717 /nfs/dbraw/zinc/86/27/17/343862717.db2.gz WOINUPVVULCSOX-UHFFFAOYSA-N 1 0 294.355 1.753 20 5 CDBDRO O=C(NCC[C@H]1CC[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915986 343919988 /nfs/dbraw/zinc/91/99/88/343919988.db2.gz SAJRUNHSIHJAOR-SECBINFHSA-N 1 0 296.302 1.855 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598916280 343920032 /nfs/dbraw/zinc/92/00/32/343920032.db2.gz WPDVPTYJJRPMFN-ZETCQYMHSA-N 1 0 286.719 1.978 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000127189133 187288211 /nfs/dbraw/zinc/28/82/11/187288211.db2.gz YFRQYBHDJSBATP-NSHDSACASA-N 1 0 263.297 1.385 20 5 CDBDRO CC1(C)C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000601964759 344297709 /nfs/dbraw/zinc/29/77/09/344297709.db2.gz TWBZCDVKGULRCY-JTQLQIEISA-N 1 0 268.317 1.339 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602424929 344421721 /nfs/dbraw/zinc/42/17/21/344421721.db2.gz NEYYTIAQAOFOKA-UHFFFAOYSA-N 1 0 269.276 1.463 20 5 CDBDRO C[C@@H](CN1CCCC1=O)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602519148 344451969 /nfs/dbraw/zinc/45/19/69/344451969.db2.gz WLOIAGMVWYJYNG-LBPRGKRZSA-N 1 0 291.351 1.738 20 5 CDBDRO CC[C@@](C)(C[NH2+]CCn1cc([N+](=O)[O-])cn1)OC ZINC000602566674 344483342 /nfs/dbraw/zinc/48/33/42/344483342.db2.gz AOLRXNIOGNTHRZ-NSHDSACASA-N 1 0 256.306 1.196 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C1 ZINC000052093227 362402188 /nfs/dbraw/zinc/40/21/88/362402188.db2.gz FCXBWJRBJFACML-SECBINFHSA-N 1 0 250.258 1.078 20 5 CDBDRO O=C1NCCC[C@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602688411 344532646 /nfs/dbraw/zinc/53/26/46/344532646.db2.gz WDUYAJGEXXEWQE-LBPRGKRZSA-N 1 0 277.324 1.253 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN(C)CCC[NH+]1CCCC1 ZINC000602824558 344610882 /nfs/dbraw/zinc/61/08/82/344610882.db2.gz IPJHMRBDUNAXHE-UHFFFAOYSA-N 1 0 295.387 1.517 20 5 CDBDRO CS[C@@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602837752 344619418 /nfs/dbraw/zinc/61/94/18/344619418.db2.gz ZTEPEBNIEXEBEW-SNVBAGLBSA-N 1 0 270.358 1.537 20 5 CDBDRO Cc1ccc(C(=O)N[C@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000127290733 187295252 /nfs/dbraw/zinc/29/52/52/187295252.db2.gz QOWQDVFEYOUHGU-CQSZACIVSA-N 1 0 277.324 1.760 20 5 CDBDRO CCNC(=O)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000292755437 362503347 /nfs/dbraw/zinc/50/33/47/362503347.db2.gz BMHSQDMINSFNCV-ZDUSSCGKSA-N 1 0 279.340 1.845 20 5 CDBDRO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)cs1 ZINC000344080350 362542994 /nfs/dbraw/zinc/54/29/94/362542994.db2.gz ZBCMXDTUYYBBJA-DCAQKATOSA-N 1 0 268.338 1.859 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000320257260 345120768 /nfs/dbraw/zinc/12/07/68/345120768.db2.gz QUWACRYAAVZLIF-UWVGGRQHSA-N 1 0 265.313 1.379 20 5 CDBDRO CC[C@@]1(C)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000344212424 362555527 /nfs/dbraw/zinc/55/55/27/362555527.db2.gz CNJPUGWQURYZNL-LBPRGKRZSA-N 1 0 252.318 1.913 20 5 CDBDRO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000293380239 362555622 /nfs/dbraw/zinc/55/56/22/362555622.db2.gz JUOKVEUQSSWQHV-NSHDSACASA-N 1 0 295.339 1.260 20 5 CDBDRO Cc1ccc(C[NH2+][C@H](C)C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000228928129 140197905 /nfs/dbraw/zinc/19/79/05/140197905.db2.gz YEBQJBYWLNALHP-LLVKDONJSA-N 1 0 279.340 1.906 20 5 CDBDRO CN(CCCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000610473579 346288042 /nfs/dbraw/zinc/28/80/42/346288042.db2.gz IANFUEQMVSJCHG-UHFFFAOYSA-N 1 0 282.344 1.347 20 5 CDBDRO CC(C)[NH2+][C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000610485051 346290778 /nfs/dbraw/zinc/29/07/78/346290778.db2.gz GAJBHMPIQDRAJV-GFCCVEGCSA-N 1 0 281.360 1.254 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000085374121 179042917 /nfs/dbraw/zinc/04/29/17/179042917.db2.gz FEGVIYYPNGJWLC-NWDGAFQWSA-N 1 0 263.297 1.338 20 5 CDBDRO CCn1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000404462304 347162847 /nfs/dbraw/zinc/16/28/47/347162847.db2.gz KODXSSUAAONMEA-UHFFFAOYSA-N 1 0 275.312 1.539 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122615386 347668699 /nfs/dbraw/zinc/66/86/99/347668699.db2.gz KKQPKDHBIRYOJG-MFKMUULPSA-N 1 0 277.324 1.794 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000086467399 179297333 /nfs/dbraw/zinc/29/73/33/179297333.db2.gz FPCOZYXVIWAJCB-MNOVXSKESA-N 1 0 277.324 1.726 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C)C[NH2+]1 ZINC000086467681 179298250 /nfs/dbraw/zinc/29/82/50/179298250.db2.gz PUTFTGPIVWFMBE-YUMQZZPRSA-N 1 0 253.258 1.010 20 5 CDBDRO Cc1c(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000086467874 179299056 /nfs/dbraw/zinc/29/90/56/179299056.db2.gz RIUULCSXCJMKIE-UWVGGRQHSA-N 1 0 277.324 1.726 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000086467984 179299133 /nfs/dbraw/zinc/29/91/33/179299133.db2.gz AWLSUBUXYWPUPR-JGVFFNPUSA-N 1 0 269.326 1.479 20 5 CDBDRO CC1(C)CCCC[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000094325099 365940076 /nfs/dbraw/zinc/94/00/76/365940076.db2.gz LRTKRCMZCNDNDA-QWHCGFSZSA-N 1 0 296.371 1.711 20 5 CDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000090538422 180000395 /nfs/dbraw/zinc/00/03/95/180000395.db2.gz ITUVCLPVGWEUHJ-SNVBAGLBSA-N 1 0 252.318 1.960 20 5 CDBDRO CC1(C)[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@@H]21 ZINC000090550757 180003090 /nfs/dbraw/zinc/00/30/90/180003090.db2.gz LMCWYMWZGXLOFW-TXEJJXNPSA-N 1 0 277.324 1.344 20 5 CDBDRO Cc1cnc(NCC[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000090692326 180025461 /nfs/dbraw/zinc/02/54/61/180025461.db2.gz OMFIRYAITVMEGU-UHFFFAOYSA-N 1 0 250.302 1.804 20 5 CDBDRO COc1cccc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2F)c1[N+](=O)[O-] ZINC001579260288 1172127952 /nfs/dbraw/zinc/12/79/52/1172127952.db2.gz ZAYRUBYTKHQDFS-NXEZZACHSA-N 1 0 297.286 1.033 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H](C[NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000113451037 186578388 /nfs/dbraw/zinc/57/83/88/186578388.db2.gz OKJURVHQFFECMI-GFCCVEGCSA-N 1 0 291.351 1.927 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000262821126 290939174 /nfs/dbraw/zinc/93/91/74/290939174.db2.gz POBYAODLLSZJOH-GZMMTYOYSA-N 1 0 297.742 1.976 20 5 CDBDRO O=C(NC1CC[NH2+]CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000123067649 187069500 /nfs/dbraw/zinc/06/95/00/187069500.db2.gz QSRNNYRUNBWWBT-UHFFFAOYSA-N 1 0 283.715 1.730 20 5 CDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000122836957 187054993 /nfs/dbraw/zinc/05/49/93/187054993.db2.gz MNKJGVBVUBKNFC-SNVBAGLBSA-N 1 0 295.343 1.122 20 5 CDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CCC[NH2+]C1 ZINC000123855757 187111454 /nfs/dbraw/zinc/11/14/54/187111454.db2.gz SSGLFVLNEQUXEB-NSHDSACASA-N 1 0 293.323 1.232 20 5 CDBDRO CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)CO ZINC000292144216 198180618 /nfs/dbraw/zinc/18/06/18/198180618.db2.gz JRJOGJPUJGWLKB-MFKMUULPSA-N 1 0 268.313 1.331 20 5 CDBDRO C[NH+](C)C1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273507481 192179038 /nfs/dbraw/zinc/17/90/38/192179038.db2.gz WGKFUXOOPKQKJG-UHFFFAOYSA-N 1 0 282.275 1.512 20 5 CDBDRO C[C@@H](O)C[C@@H]1COCCN1Cc1ccccc1[N+](=O)[O-] ZINC000157282349 188307822 /nfs/dbraw/zinc/30/78/22/188307822.db2.gz FIHNZNGXTTVEOU-DGCLKSJQSA-N 1 0 280.324 1.567 20 5 CDBDRO COc1cc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000156722348 188278003 /nfs/dbraw/zinc/27/80/03/188278003.db2.gz CUOIKGYITCGOAQ-GXSJLCMTSA-N 1 0 293.323 1.413 20 5 CDBDRO CCc1ccc(C(=O)N2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000158502591 188379075 /nfs/dbraw/zinc/37/90/75/188379075.db2.gz QHLCJUVRFDLRQJ-LBPRGKRZSA-N 1 0 277.324 1.721 20 5 CDBDRO COC[C@@H]1C[C@H](O)C[N@@H+]1[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000411927168 363381379 /nfs/dbraw/zinc/38/13/79/363381379.db2.gz XSQKIWSFIZGPBC-BPNCWPANSA-N 1 0 280.324 1.737 20 5 CDBDRO CN(C)C(=O)[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000411939093 363382408 /nfs/dbraw/zinc/38/24/08/363382408.db2.gz NIJAGYFDVVNCFY-ZDUSSCGKSA-N 1 0 291.351 1.547 20 5 CDBDRO Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000361819201 358493416 /nfs/dbraw/zinc/49/34/16/358493416.db2.gz ZCEUWMGUXSMLEE-LLVKDONJSA-N 1 0 292.339 1.976 20 5 CDBDRO CC[NH+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H](C)C1 ZINC000578025156 356114485 /nfs/dbraw/zinc/11/44/85/356114485.db2.gz NMUULWRRVHHWNG-UWVGGRQHSA-N 1 0 280.328 1.478 20 5 CDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[NH2+]C1 ZINC000273026662 192024520 /nfs/dbraw/zinc/02/45/20/192024520.db2.gz LYBDHXIYBQMUGM-JTQLQIEISA-N 1 0 295.364 1.413 20 5 CDBDRO C[NH2+][C@@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000578247083 356301352 /nfs/dbraw/zinc/30/13/52/356301352.db2.gz LMERVBKIYDBEPN-ZETCQYMHSA-N 1 0 271.704 1.472 20 5 CDBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cn1 ZINC000273659660 192250852 /nfs/dbraw/zinc/25/08/52/192250852.db2.gz VVBZDHICHWPFSN-MNOVXSKESA-N 1 0 279.344 1.917 20 5 CDBDRO CC(C)(CO)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609845856 356457160 /nfs/dbraw/zinc/45/71/60/356457160.db2.gz JUTRCTXYGWGFRP-UHFFFAOYSA-N 1 0 293.367 1.483 20 5 CDBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000290575610 357224838 /nfs/dbraw/zinc/22/48/38/357224838.db2.gz LEJZZKWZHBMSIZ-LLVKDONJSA-N 1 0 297.359 1.028 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC3(CC3)C2)c1 ZINC000186993939 357716737 /nfs/dbraw/zinc/71/67/37/357716737.db2.gz KZLYIWGHQPNZSC-UHFFFAOYSA-N 1 0 250.302 1.667 20 5 CDBDRO O=C(N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])o1 ZINC000361116972 357807285 /nfs/dbraw/zinc/80/72/85/357807285.db2.gz GWUWQONPDVRDTD-NXEZZACHSA-N 1 0 279.296 1.306 20 5 CDBDRO Cc1sc(C(=O)N2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000188416156 357893830 /nfs/dbraw/zinc/89/38/30/357893830.db2.gz GNMGMGCSTDCWHY-SSDOTTSWSA-N 1 0 269.326 1.399 20 5 CDBDRO C[C@@H](CCCO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000584530119 358115787 /nfs/dbraw/zinc/11/57/87/358115787.db2.gz MJCCRFKSEBGMDM-NSHDSACASA-N 1 0 295.339 1.674 20 5 CDBDRO CS(=O)(=O)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000610763203 358148814 /nfs/dbraw/zinc/14/88/14/358148814.db2.gz TXTVCHZLWWDTRO-UHFFFAOYSA-N 1 0 298.364 1.604 20 5 CDBDRO CC[NH+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000033317259 358224158 /nfs/dbraw/zinc/22/41/58/358224158.db2.gz UACONXXWPQMFNU-YVMONPNESA-N 1 0 289.335 1.772 20 5 CDBDRO COc1cc(C[NH2+]C[C@@H](C)CCCO)c([N+](=O)[O-])cc1O ZINC000294774364 199176287 /nfs/dbraw/zinc/17/62/87/199176287.db2.gz KNIOSSUMLUMQNC-JTQLQIEISA-N 1 0 298.339 1.807 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@]1(O)CCOC1)CCC2 ZINC000193050348 358260808 /nfs/dbraw/zinc/26/08/08/358260808.db2.gz QODHPLZDAQBZNC-CABCVRRESA-N 1 0 292.335 1.713 20 5 CDBDRO COc1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000193625271 358310308 /nfs/dbraw/zinc/31/03/08/358310308.db2.gz TYAARXYCTPKGAF-BETUJISGSA-N 1 0 291.351 1.597 20 5 CDBDRO Cc1ccc(C[NH2+]CCN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000294820420 199199002 /nfs/dbraw/zinc/19/90/02/199199002.db2.gz KNVIDNQYTJPJPS-UHFFFAOYSA-N 1 0 293.367 1.450 20 5 CDBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000408206899 358399359 /nfs/dbraw/zinc/39/93/59/358399359.db2.gz UXEWRTKQQINVAW-GFCCVEGCSA-N 1 0 294.355 1.346 20 5 CDBDRO CC(C)[NH2+]CCCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000567164933 358637706 /nfs/dbraw/zinc/63/77/06/358637706.db2.gz FIYQKWSONSGBDD-UHFFFAOYSA-N 1 0 280.328 1.295 20 5 CDBDRO COCC(COC)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567486882 358688076 /nfs/dbraw/zinc/68/80/76/358688076.db2.gz XGDRZFKDLITJAR-CYBMUJFWSA-N 1 0 280.324 1.833 20 5 CDBDRO CC1(C)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176242921 358750428 /nfs/dbraw/zinc/75/04/28/358750428.db2.gz MTKJZJWMYDGDFZ-UHFFFAOYSA-N 1 0 252.318 1.913 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264947817 358788750 /nfs/dbraw/zinc/78/87/50/358788750.db2.gz XKJNBEDCJKQUQZ-UHFFFAOYSA-N 1 0 290.323 1.758 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000186850950 358833330 /nfs/dbraw/zinc/83/33/30/358833330.db2.gz IYICNDUOBDUKSQ-MFKMUULPSA-N 1 0 277.324 1.252 20 5 CDBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000153953431 358854347 /nfs/dbraw/zinc/85/43/47/358854347.db2.gz RQBGGNGCDPQFTP-JTQLQIEISA-N 1 0 295.343 1.026 20 5 CDBDRO CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H](C)OC ZINC000291117991 358878797 /nfs/dbraw/zinc/87/87/97/358878797.db2.gz APRQQXXFURTTEW-SNVBAGLBSA-N 1 0 295.339 1.551 20 5 CDBDRO COC[C@H](O)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539060758 358949443 /nfs/dbraw/zinc/94/94/43/358949443.db2.gz QUHMIVJMDANMTL-WCQYABFASA-N 1 0 282.340 1.951 20 5 CDBDRO C[C@H]([C@H](C)Nc1ccc(N)cc1[N+](=O)[O-])N1CCOCC1 ZINC000287790203 359121171 /nfs/dbraw/zinc/12/11/71/359121171.db2.gz IVXFNMIAHGDSMN-WDEREUQCSA-N 1 0 294.355 1.698 20 5 CDBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])c(N)n2)CCCCC1 ZINC000338379351 359126101 /nfs/dbraw/zinc/12/61/01/359126101.db2.gz BOEQKWCAIMRSRE-UHFFFAOYSA-N 1 0 294.359 1.474 20 5 CDBDRO Cc1cc(N2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000314098148 359158226 /nfs/dbraw/zinc/15/82/26/359158226.db2.gz IOIUUSZVMQQZSW-CQSZACIVSA-N 1 0 290.367 1.387 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[NH2+]C2)c1 ZINC000569802798 359262009 /nfs/dbraw/zinc/26/20/09/359262009.db2.gz GFJSYAJXUMUSPB-JTQLQIEISA-N 1 0 293.323 1.427 20 5 CDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CCC[NH2+]C1 ZINC000050162324 359352706 /nfs/dbraw/zinc/35/27/06/359352706.db2.gz JPZZHXUEKNTSSA-UWVGGRQHSA-N 1 0 280.328 1.051 20 5 CDBDRO CC[NH+]1CCC(Nc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000296648002 199957754 /nfs/dbraw/zinc/95/77/54/199957754.db2.gz XEBKOOKAJMLIEO-UHFFFAOYSA-N 1 0 265.317 1.589 20 5 CDBDRO C[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000347849792 359861298 /nfs/dbraw/zinc/86/12/98/359861298.db2.gz NJUSFIBWMPOXON-ZJUUUORDSA-N 1 0 297.330 1.904 20 5 CDBDRO COc1cc(C[NH2+]CCC[C@H](C)CO)c([N+](=O)[O-])cc1O ZINC000270238906 359935839 /nfs/dbraw/zinc/93/58/39/359935839.db2.gz CEZAQMBAGSPVFU-JTQLQIEISA-N 1 0 298.339 1.807 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000235330403 360024376 /nfs/dbraw/zinc/02/43/76/360024376.db2.gz RJMYUDRYGWHAEM-MNOVXSKESA-N 1 0 277.324 1.794 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000235445540 360120697 /nfs/dbraw/zinc/12/06/97/360120697.db2.gz VPXOZNGDXKKDBE-PSASIEDQSA-N 1 0 281.287 1.604 20 5 CDBDRO O=C(NCC1=CC[NH2+]CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000169272323 360200677 /nfs/dbraw/zinc/20/06/77/360200677.db2.gz HTARPQIKUMPRHO-UHFFFAOYSA-N 1 0 279.271 1.383 20 5 CDBDRO COc1ccc(C[NH2+]C[C@@]2(O)CCSC2)cc1[N+](=O)[O-] ZINC000176751784 189007644 /nfs/dbraw/zinc/00/76/44/189007644.db2.gz FYHHYLCDLHFCRA-ZDUSSCGKSA-N 1 0 298.364 1.561 20 5 CDBDRO NC(=O)C1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000177122003 189030029 /nfs/dbraw/zinc/03/00/29/189030029.db2.gz XZJLHIFIYMVHND-UHFFFAOYSA-N 1 0 291.351 1.915 20 5 CDBDRO C[C@]1(O)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000178008996 189084738 /nfs/dbraw/zinc/08/47/38/189084738.db2.gz PGCKFOMNZQLWTF-ZDUSSCGKSA-N 1 0 266.297 1.430 20 5 CDBDRO Cc1c([C@@H](C)[NH2+]CCS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000178135698 189092598 /nfs/dbraw/zinc/09/25/98/189092598.db2.gz POGPTLYUDDEEHF-SNVBAGLBSA-N 1 0 286.353 1.598 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000439157165 360656548 /nfs/dbraw/zinc/65/65/48/360656548.db2.gz FLKXPNGGXYBXRK-SNVBAGLBSA-N 1 0 292.339 1.224 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[NH2+]1 ZINC000238067438 360718299 /nfs/dbraw/zinc/71/82/99/360718299.db2.gz URBLZBLQRBTCRL-CYBMUJFWSA-N 1 0 291.351 1.786 20 5 CDBDRO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000178772479 189144650 /nfs/dbraw/zinc/14/46/50/189144650.db2.gz JNFXBVMXASGKBA-JTQLQIEISA-N 1 0 293.323 1.162 20 5 CDBDRO CN1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000572497410 360981856 /nfs/dbraw/zinc/98/18/56/360981856.db2.gz OHAKCKZJUBBUQI-CHWSQXEVSA-N 1 0 289.335 1.793 20 5 CDBDRO CC(C)[C@@H](CO)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000180605706 189265093 /nfs/dbraw/zinc/26/50/93/189265093.db2.gz LTGYPRCXXUTSQK-CYBMUJFWSA-N 1 0 295.339 1.164 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000301435506 201008886 /nfs/dbraw/zinc/00/88/86/201008886.db2.gz JKFHGBKVQTUNMI-ZDUSSCGKSA-N 1 0 292.383 1.951 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000382421623 361350397 /nfs/dbraw/zinc/35/03/97/361350397.db2.gz KIGJCVYWZMYHIX-RXVTVFCNSA-N 1 0 289.335 1.852 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000289796221 361369455 /nfs/dbraw/zinc/36/94/55/361369455.db2.gz YVOWSRVTDOOONB-NWDGAFQWSA-N 1 0 277.324 1.599 20 5 CDBDRO C[C@H]1C[C@H](O)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000340905701 363761007 /nfs/dbraw/zinc/76/10/07/363761007.db2.gz OKFQJADMWGNXMO-JQWIXIFHSA-N 1 0 266.297 1.429 20 5 CDBDRO [NH3+][C@@H](CC(F)F)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000345692205 361398872 /nfs/dbraw/zinc/39/88/72/361398872.db2.gz MSNFSHPEGXXKQJ-QMMMGPOBSA-N 1 0 285.250 1.466 20 5 CDBDRO [NH3+][C@H](CC(F)F)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000345693776 361399268 /nfs/dbraw/zinc/39/92/68/361399268.db2.gz OTIIVIYQBJEIDU-SECBINFHSA-N 1 0 287.266 1.236 20 5 CDBDRO Nc1ccc([N+](=O)[O-])c(N2CC[NH+](C3CCC3)CC2)c1 ZINC000282234137 283667274 /nfs/dbraw/zinc/66/72/74/283667274.db2.gz PJKFYDXDONNNCE-UHFFFAOYSA-N 1 0 276.340 1.852 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000237191082 361443271 /nfs/dbraw/zinc/44/32/71/361443271.db2.gz ZQDCVYVMILSOMJ-JTQLQIEISA-N 1 0 293.323 1.475 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1 ZINC000280204138 239101020 /nfs/dbraw/zinc/10/10/20/239101020.db2.gz FCBMZVJVHXIFNJ-CHWSQXEVSA-N 1 0 280.324 1.329 20 5 CDBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000340914506 363946739 /nfs/dbraw/zinc/94/67/39/363946739.db2.gz RWSAKWUNSXXSCG-DGCLKSJQSA-N 1 0 280.324 1.819 20 5 CDBDRO C[C@H]1CC[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000582460639 364091735 /nfs/dbraw/zinc/09/17/35/364091735.db2.gz SQDGIGFYRKDGSV-LBPRGKRZSA-N 1 0 291.351 1.595 20 5 CDBDRO C[C@@H]([NH3+])C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000110651835 364939420 /nfs/dbraw/zinc/93/94/20/364939420.db2.gz OIWUUKKXKGJHOG-SECBINFHSA-N 1 0 250.302 1.553 20 5 CDBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2cc([N+](=O)[O-])nn2C)n1 ZINC000414614503 241276917 /nfs/dbraw/zinc/27/69/17/241276917.db2.gz HDQIUOXCAQVRQN-SSDOTTSWSA-N 1 0 280.288 1.424 20 5 CDBDRO Cc1c(NC(=O)N[C@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000414716651 241348970 /nfs/dbraw/zinc/34/89/70/241348970.db2.gz XKWYTVQYGOEJEV-LLVKDONJSA-N 1 0 278.312 1.762 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320424 367030911 /nfs/dbraw/zinc/03/09/11/367030911.db2.gz JBENYCSBCMSASW-UTUOFQBUSA-N 1 0 261.325 1.807 20 5 CDBDRO COc1ccc(CN[C@@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000414956950 241482587 /nfs/dbraw/zinc/48/25/87/241482587.db2.gz QKNNLXLMYSFBAM-CMPLNLGQSA-N 1 0 279.340 1.834 20 5 CDBDRO C[C@H](NC(=O)NCC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417146128 242336380 /nfs/dbraw/zinc/33/63/80/242336380.db2.gz XRVHJDRCINECGA-VIFPVBQESA-N 1 0 280.328 1.692 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[NH2+]C1 ZINC000414863733 370917279 /nfs/dbraw/zinc/91/72/79/370917279.db2.gz IWJBIISDZUSFEN-GFCCVEGCSA-N 1 0 279.340 1.835 20 5 CDBDRO C[C@H]1C[NH2+]CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420287938 244027641 /nfs/dbraw/zinc/02/76/41/244027641.db2.gz GSTBSERABDHDGA-NSHDSACASA-N 1 0 292.339 1.217 20 5 CDBDRO C[C@H]1C[N@H+](C)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000330666383 203094557 /nfs/dbraw/zinc/09/45/57/203094557.db2.gz ICGYTYMESLPDPQ-LBPRGKRZSA-N 1 0 279.340 1.610 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCO[C@H](C[NH3+])C1 ZINC000420299378 244046414 /nfs/dbraw/zinc/04/64/14/244046414.db2.gz BADGEXGCVMMVOS-DGCLKSJQSA-N 1 0 279.340 1.624 20 5 CDBDRO Cc1c(C[N@@H+](C[C@H](O)CO)C(C)C)cccc1[N+](=O)[O-] ZINC000421005957 244555854 /nfs/dbraw/zinc/55/58/54/244555854.db2.gz VNRAKQXFWMLBBH-ZDUSSCGKSA-N 1 0 282.340 1.467 20 5 CDBDRO C[C@@H](C[NH3+])CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414874109 370963543 /nfs/dbraw/zinc/96/35/43/370963543.db2.gz IBRHHTLAXGHMMN-QMMMGPOBSA-N 1 0 289.282 1.881 20 5 CDBDRO CC[C@@H]1C[N@H+](CC)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000577706451 317384993 /nfs/dbraw/zinc/38/49/93/317384993.db2.gz YKLQGKZDAYMYGF-SNVBAGLBSA-N 1 0 265.317 1.305 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000037668444 369783828 /nfs/dbraw/zinc/78/38/28/369783828.db2.gz CQRPDCXZPXATSD-UHFFFAOYSA-N 1 0 263.297 1.211 20 5 CDBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000331989009 204365733 /nfs/dbraw/zinc/36/57/33/204365733.db2.gz NNWYTAFQCUHWJG-GHMZBOCLSA-N 1 0 292.339 1.622 20 5 CDBDRO CCC[N@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000266229014 371344420 /nfs/dbraw/zinc/34/44/20/371344420.db2.gz SXXNWTUEGDTYHR-SNVBAGLBSA-N 1 0 294.359 1.135 20 5 CDBDRO CCC(CC)(CC)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000086642540 371946722 /nfs/dbraw/zinc/94/67/22/371946722.db2.gz UWRGUEXWPPBOCT-GFCCVEGCSA-N 1 0 284.360 1.711 20 5 CDBDRO COc1ccc(CN(C2CC2)C2COC2)cc1[N+](=O)[O-] ZINC000296029461 372240291 /nfs/dbraw/zinc/24/02/91/372240291.db2.gz NAOXCSSQUCKTAX-UHFFFAOYSA-N 1 0 278.308 1.967 20 5 CDBDRO COc1ccc(NC(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000272889982 372319027 /nfs/dbraw/zinc/31/90/27/372319027.db2.gz YIGHCZXZOUFFOG-UHFFFAOYSA-N 1 0 282.300 1.287 20 5 CDBDRO Cc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)o1 ZINC000151267272 372778259 /nfs/dbraw/zinc/77/82/59/372778259.db2.gz WEBAQKZQJPSGEJ-UHFFFAOYSA-N 1 0 250.258 1.483 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000356765596 373054697 /nfs/dbraw/zinc/05/46/97/373054697.db2.gz KXJKXYALYFUWFT-SNVBAGLBSA-N 1 0 282.344 1.392 20 5 CDBDRO Cc1c(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000368424465 373831350 /nfs/dbraw/zinc/83/13/50/373831350.db2.gz KLPLUJNLVNRSJV-QMTHXVAHSA-N 1 0 275.308 1.841 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C(N)=O)CC1 ZINC000266534389 373961848 /nfs/dbraw/zinc/96/18/48/373961848.db2.gz NJGQJHCXSARAOR-JTQLQIEISA-N 1 0 277.324 1.853 20 5 CDBDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000289541361 197395367 /nfs/dbraw/zinc/39/53/67/197395367.db2.gz JTZDDXIYFWFYHC-OCCSQVGLSA-N 1 0 291.351 1.845 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH+](C2CCCC2)CC1 ZINC000298891093 374252726 /nfs/dbraw/zinc/25/27/26/374252726.db2.gz ZGBQVUBKQDKPDM-UHFFFAOYSA-N 1 0 292.339 1.623 20 5 CDBDRO C[C@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000417762907 374252955 /nfs/dbraw/zinc/25/29/55/374252955.db2.gz JHFZKJKPIONEGU-NSHDSACASA-N 1 0 292.339 1.141 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000113515846 374261162 /nfs/dbraw/zinc/26/11/62/374261162.db2.gz XJIRWMSTDVGKFI-GFCCVEGCSA-N 1 0 263.341 1.978 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CCC[NH2+]CC2)c1[N+](=O)[O-] ZINC000368532975 374318042 /nfs/dbraw/zinc/31/80/42/374318042.db2.gz SQZPCVUARQUEHF-VIFPVBQESA-N 1 0 295.343 1.142 20 5 CDBDRO CCC[C@]1(CO)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000368584247 374320271 /nfs/dbraw/zinc/32/02/71/374320271.db2.gz VTDWFKBIJNQQAI-ZDUSSCGKSA-N 1 0 282.344 1.276 20 5 CDBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000368647160 374322038 /nfs/dbraw/zinc/32/20/38/374322038.db2.gz MKJFCZQZZNSYQY-LBPRGKRZSA-N 1 0 275.308 1.467 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[NH2+]1 ZINC000423855355 246146586 /nfs/dbraw/zinc/14/65/86/246146586.db2.gz WOFLNSNQANWBBS-SNVBAGLBSA-N 1 0 269.688 1.226 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@](O)(C3CC3)C2)cc1 ZINC000370082153 374378458 /nfs/dbraw/zinc/37/84/58/374378458.db2.gz LUNMRYHHVSDRSC-OAHLLOKOSA-N 1 0 276.336 1.984 20 5 CDBDRO Cc1ccc([C@@H](C)NC[C@@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000423511228 374388360 /nfs/dbraw/zinc/38/83/60/374388360.db2.gz KDHPCUKDRRLSHG-OCCSQVGLSA-N 1 0 293.367 1.932 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](C3CC3)C2)n1 ZINC000371309576 374414206 /nfs/dbraw/zinc/41/42/06/374414206.db2.gz YLPDGVXCYCKJDA-NSHDSACASA-N 1 0 250.302 1.523 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCOC3CCC3)CC2)n1 ZINC000376504089 374562088 /nfs/dbraw/zinc/56/20/88/374562088.db2.gz CMAJXCMBPVYMSY-UHFFFAOYSA-N 1 0 294.355 1.997 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](C3CC3)C2)n1 ZINC000377582725 374610506 /nfs/dbraw/zinc/61/05/06/374610506.db2.gz KDKQCYWVEMVSKX-GFCCVEGCSA-N 1 0 264.329 1.913 20 5 CDBDRO CC(C)([NH3+])CCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000070088344 374648479 /nfs/dbraw/zinc/64/84/79/374648479.db2.gz PJIRXYDEWGDNBP-UHFFFAOYSA-N 1 0 265.313 1.729 20 5 CDBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000070149108 374650166 /nfs/dbraw/zinc/65/01/66/374650166.db2.gz DMXWHEZYKGTNTQ-SECBINFHSA-N 1 0 267.285 1.531 20 5 CDBDRO C[C@H](CC(N)=O)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447582108 374703694 /nfs/dbraw/zinc/70/36/94/374703694.db2.gz XZECIVWUHIUWNP-RNCFNFMXSA-N 1 0 277.324 1.826 20 5 CDBDRO Cc1ccc(NC(=O)[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000019477066 374736839 /nfs/dbraw/zinc/73/68/39/374736839.db2.gz BCHZBOOFCMWHPM-NSHDSACASA-N 1 0 251.286 1.825 20 5 CDBDRO C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000330982167 374877770 /nfs/dbraw/zinc/87/77/70/374877770.db2.gz FFZUNMKHAJLXLR-HBNTYKKESA-N 1 0 268.317 1.245 20 5 CDBDRO C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000330382914 374848408 /nfs/dbraw/zinc/84/84/08/374848408.db2.gz JGOPGUFOTYLGOU-OLZOCXBDSA-N 1 0 293.367 1.966 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000331566503 374974526 /nfs/dbraw/zinc/97/45/26/374974526.db2.gz UPJLLXCBKZXTEQ-NSHDSACASA-N 1 0 289.335 1.870 20 5 CDBDRO C[S@](=O)C1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000282194293 375071324 /nfs/dbraw/zinc/07/13/24/375071324.db2.gz CEMHDGAOPBKWHA-SFHVURJKSA-N 1 0 268.338 1.596 20 5 CDBDRO Cc1n[nH]c(C(=O)NCC[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000299445560 375172308 /nfs/dbraw/zinc/17/23/08/375172308.db2.gz NAPBSOXSDNJKNI-VIFPVBQESA-N 1 0 295.343 1.088 20 5 CDBDRO NC(=O)c1c[nH+]ccc1NCCc1ccc([N+](=O)[O-])cc1 ZINC000302224041 375116268 /nfs/dbraw/zinc/11/62/68/375116268.db2.gz NWJYCTYRCDOZJW-UHFFFAOYSA-N 1 0 286.291 1.743 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000351096150 375271114 /nfs/dbraw/zinc/27/11/14/375271114.db2.gz GTUAIKJOJXBDAY-SECBINFHSA-N 1 0 266.301 1.666 20 5 CDBDRO C[NH+](C)Cc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000343175868 375463946 /nfs/dbraw/zinc/46/39/46/375463946.db2.gz WRQIOIHTPHWKPP-UHFFFAOYSA-N 1 0 289.295 1.632 20 5 CDBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000352770726 375536748 /nfs/dbraw/zinc/53/67/48/375536748.db2.gz TZYWLGMZHKWOJX-MFKMUULPSA-N 1 0 280.324 1.806 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000237811537 375591205 /nfs/dbraw/zinc/59/12/05/375591205.db2.gz GEQBZSONGMGOSP-VIFPVBQESA-N 1 0 297.742 1.978 20 5 CDBDRO CCC[C@@](C)([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000353442476 375609284 /nfs/dbraw/zinc/60/92/84/375609284.db2.gz RQBRLQQWFAIMBX-CQSZACIVSA-N 1 0 295.339 1.737 20 5 CDBDRO COc1ccc(CNC(=O)C[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000427348838 247128756 /nfs/dbraw/zinc/12/87/56/247128756.db2.gz XRXOJKJAHGJMKH-NSHDSACASA-N 1 0 293.323 1.219 20 5 CDBDRO CC[C@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000294158033 375720482 /nfs/dbraw/zinc/72/04/82/375720482.db2.gz QNHAZIJPFDKICL-SNVBAGLBSA-N 1 0 256.277 1.937 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCN2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428040577 247234774 /nfs/dbraw/zinc/23/47/74/247234774.db2.gz WRUOGAWMRXUPRG-IUODEOHRSA-N 1 0 291.351 1.657 20 5 CDBDRO C[C@@H]1COCCN1CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000355074195 375771591 /nfs/dbraw/zinc/77/15/91/375771591.db2.gz BQSZFSHXQIFWHG-LLVKDONJSA-N 1 0 293.323 1.045 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000171157214 376310537 /nfs/dbraw/zinc/31/05/37/376310537.db2.gz JKZOIXIYLMSAND-UHFFFAOYSA-N 1 0 294.355 1.734 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCN(C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000435239890 248159919 /nfs/dbraw/zinc/15/99/19/248159919.db2.gz YCLLQYRFNOXKAV-AWEZNQCLSA-N 1 0 291.351 1.800 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000189313602 377229490 /nfs/dbraw/zinc/22/94/90/377229490.db2.gz QXTFYOZKNSXHCA-CABZTGNLSA-N 1 0 263.297 1.465 20 5 CDBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000266945310 378880833 /nfs/dbraw/zinc/88/08/33/378880833.db2.gz RMAXLOYZIYACOU-JTQLQIEISA-N 1 0 252.318 1.912 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC23C[NH2+]C3)cc1OC(F)F ZINC001580874834 1172557034 /nfs/dbraw/zinc/55/70/34/1172557034.db2.gz LGQKWWVMMRQKJO-UHFFFAOYSA-N 1 0 285.250 1.748 20 5 CDBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000173787623 379219778 /nfs/dbraw/zinc/21/97/78/379219778.db2.gz DNIYENRKJPWZBD-LLVKDONJSA-N 1 0 296.323 1.296 20 5 CDBDRO CC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)NC ZINC000449779602 251016794 /nfs/dbraw/zinc/01/67/94/251016794.db2.gz UFQZOPROEMBXPW-PWSUYJOCSA-N 1 0 279.340 1.640 20 5 CDBDRO Cc1nc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000450251542 251192456 /nfs/dbraw/zinc/19/24/56/251192456.db2.gz BKKISZUOISEUSM-WDEREUQCSA-N 1 0 277.328 1.732 20 5 CDBDRO C[C@@]1(O)CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000280143496 194722012 /nfs/dbraw/zinc/72/20/12/194722012.db2.gz REFVGCFWBYSEOR-LSDHHAIUSA-N 1 0 294.351 1.865 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417936878 532960394 /nfs/dbraw/zinc/96/03/94/532960394.db2.gz HZYHRNSYQICWMB-GFCCVEGCSA-N 1 0 292.339 1.141 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000459771060 252776742 /nfs/dbraw/zinc/77/67/42/252776742.db2.gz HEXFEBUQLAZOBA-USWWRNFRSA-N 1 0 250.302 1.570 20 5 CDBDRO C[C@@]1(C(N)=O)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000280870264 195010006 /nfs/dbraw/zinc/01/00/06/195010006.db2.gz ZMPXNKBBAOPLFU-CQSZACIVSA-N 1 0 293.323 1.171 20 5 CDBDRO C[NH+](C)C/C=C\C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000492303475 253194324 /nfs/dbraw/zinc/19/43/24/253194324.db2.gz GHUMQAVRLXOPGQ-ARJAWSKDSA-N 1 0 289.295 1.527 20 5 CDBDRO CCOc1cc(C[NH2+][C@@](C)(CC)C(N)=O)ccc1[N+](=O)[O-] ZINC000492723812 253280904 /nfs/dbraw/zinc/28/09/04/253280904.db2.gz QRXAPEKEWXVMBS-AWEZNQCLSA-N 1 0 295.339 1.737 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289351473 197307504 /nfs/dbraw/zinc/30/75/04/197307504.db2.gz YBYNSPAGYWQQIU-HNNXBMFYSA-N 1 0 289.335 1.811 20 5 CDBDRO COCCOCC[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000289062600 197224963 /nfs/dbraw/zinc/22/49/63/197224963.db2.gz RHAFVTJJFOUQPL-CQSZACIVSA-N 1 0 298.339 1.223 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000072089515 285166448 /nfs/dbraw/zinc/16/64/48/285166448.db2.gz AFGOTSNCQHMIBJ-NSHDSACASA-N 1 0 262.313 1.664 20 5 CDBDRO CN(C)CC[N@H+](C)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000288848458 197178492 /nfs/dbraw/zinc/17/84/92/197178492.db2.gz JRBIGTPALHWUJA-UHFFFAOYSA-N 1 0 280.372 1.890 20 5 CDBDRO CCN(c1ncnc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[NH2+]C1 ZINC000081590573 177827241 /nfs/dbraw/zinc/82/72/41/177827241.db2.gz AATUXWDRKUQGCX-LLVKDONJSA-N 1 0 287.323 1.726 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000094340165 184784340 /nfs/dbraw/zinc/78/43/40/184784340.db2.gz RHTDJTIQEPSROH-LDYMZIIASA-N 1 0 281.287 1.543 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000394551320 390186367 /nfs/dbraw/zinc/18/63/67/390186367.db2.gz HZKQYJHURVKGNH-GOPXOUGQSA-N 1 0 263.297 1.460 20 5 CDBDRO CO[C@@H]1C[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000451513784 390628708 /nfs/dbraw/zinc/62/87/08/390628708.db2.gz YWDYGKZJEPQCPX-NXEZZACHSA-N 1 0 268.317 1.194 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)c1 ZINC000451595128 390634028 /nfs/dbraw/zinc/63/40/28/390634028.db2.gz BVWQMVMOLUEQEO-KBPBESRZSA-N 1 0 294.355 1.178 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000423679181 390833589 /nfs/dbraw/zinc/83/35/89/390833589.db2.gz LSRFWMHAYNYKQA-WDEREUQCSA-N 1 0 279.340 1.986 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@H]1CC[NH2+]C1 ZINC000582487661 390974280 /nfs/dbraw/zinc/97/42/80/390974280.db2.gz QRJOACAPPUNNBJ-LBPRGKRZSA-N 1 0 292.339 1.135 20 5 CDBDRO CC(C)[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1F ZINC000413110776 391157888 /nfs/dbraw/zinc/15/78/88/391157888.db2.gz OQSDGNPIEBVQPE-UHFFFAOYSA-N 1 0 256.281 1.881 20 5 CDBDRO [NH3+]CC[C@H](NCc1ccc([N+](=O)[O-])cc1F)C(F)F ZINC000414991878 391236189 /nfs/dbraw/zinc/23/61/89/391236189.db2.gz PXNUNVGDADVKTQ-JTQLQIEISA-N 1 0 277.246 1.806 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\CNC[C@@H]1C[NH2+]CCCO1 ZINC000415043573 391249672 /nfs/dbraw/zinc/24/96/72/391249672.db2.gz RSDQLCVOADVTKD-JHAQOBCDSA-N 1 0 291.351 1.576 20 5 CDBDRO O=[N+]([O-])c1cc(CNCCC[NH2+]C2CC2)cs1 ZINC000415064291 391253990 /nfs/dbraw/zinc/25/39/90/391253990.db2.gz CHOOVMYTNGCMCZ-UHFFFAOYSA-N 1 0 255.343 1.888 20 5 CDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ncc([N+](=O)[O-])s1 ZINC000190333782 391374990 /nfs/dbraw/zinc/37/49/90/391374990.db2.gz WYGVPARGQQQKDT-BDAKNGLRSA-N 1 0 270.358 1.828 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[NH2+]CC1 ZINC000415577082 391467262 /nfs/dbraw/zinc/46/72/62/391467262.db2.gz GVUXXYZTJAXJJA-UHFFFAOYSA-N 1 0 278.312 1.649 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415629020 391469783 /nfs/dbraw/zinc/46/97/83/391469783.db2.gz HIICDGQPTKANGN-VIFPVBQESA-N 1 0 296.302 1.807 20 5 CDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 ZINC000292261408 391570927 /nfs/dbraw/zinc/57/09/27/391570927.db2.gz PNCZZPOOUKLYHX-CYBMUJFWSA-N 1 0 279.296 1.356 20 5 CDBDRO COc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000192567901 391683216 /nfs/dbraw/zinc/68/32/16/391683216.db2.gz IFJBRMUKYKHXPG-SNVBAGLBSA-N 1 0 293.323 1.427 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000053253543 391709900 /nfs/dbraw/zinc/70/99/00/391709900.db2.gz AATBMDQTNBPJFZ-SECBINFHSA-N 1 0 283.715 1.730 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000191721318 130285997 /nfs/dbraw/zinc/28/59/97/130285997.db2.gz UCJXVNAEDVYOTG-PWSUYJOCSA-N 1 0 250.298 1.655 20 5 CDBDRO C[C@H](NC(=O)NCC[NH+]1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000458889295 392005743 /nfs/dbraw/zinc/00/57/43/392005743.db2.gz MVGNITFCUWAFNC-NSHDSACASA-N 1 0 292.339 1.661 20 5 CDBDRO CC(C)[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000488053064 392212886 /nfs/dbraw/zinc/21/28/86/392212886.db2.gz OEHCYGKERJEMKV-ZDUSSCGKSA-N 1 0 281.360 1.063 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000235379054 130949192 /nfs/dbraw/zinc/94/91/92/130949192.db2.gz DBWDFCUGDBQBCQ-MNOVXSKESA-N 1 0 277.324 1.774 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)CC[NH2+]1 ZINC000235685534 130952958 /nfs/dbraw/zinc/95/29/58/130952958.db2.gz VSDZOPGJDFAXRV-YUMQZZPRSA-N 1 0 253.258 1.058 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000237312672 131023128 /nfs/dbraw/zinc/02/31/28/131023128.db2.gz JUDRLPSLZCYSPN-SNVBAGLBSA-N 1 0 292.339 1.249 20 5 CDBDRO Cc1sc(C(=O)N2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237696923 131052585 /nfs/dbraw/zinc/05/25/85/131052585.db2.gz ZXXQVLIUYCATAA-QMMMGPOBSA-N 1 0 269.326 1.528 20 5 CDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246625756 131096069 /nfs/dbraw/zinc/09/60/69/131096069.db2.gz VWVQYXQPPZGNNI-GIPNMCIBSA-N 1 0 293.323 1.230 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261806098 131170256 /nfs/dbraw/zinc/17/02/56/131170256.db2.gz ZHAPZFGPRKOEFF-ZANVPECISA-N 1 0 293.298 1.558 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000262303514 131209644 /nfs/dbraw/zinc/20/96/44/131209644.db2.gz BVECKBKOJUVLEM-NXEZZACHSA-N 1 0 265.313 1.675 20 5 CDBDRO Cc1ccc(C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262735294 131257195 /nfs/dbraw/zinc/25/71/95/131257195.db2.gz CHLLICAQVAZUHA-MNOVXSKESA-N 1 0 277.324 1.726 20 5 CDBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2c([N+](=O)[O-])ncn2C)C[C@@H](C)C1 ZINC000488774457 392726299 /nfs/dbraw/zinc/72/62/99/392726299.db2.gz YNMAHYSWSOVYKC-TUAOUCFPSA-N 1 0 293.371 1.495 20 5 CDBDRO C[C@H]1C[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000488570210 392697902 /nfs/dbraw/zinc/69/79/02/392697902.db2.gz CYMYJSNRUVTBEG-WDEREUQCSA-N 1 0 298.364 1.614 20 5 CDBDRO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000266945311 131802130 /nfs/dbraw/zinc/80/21/30/131802130.db2.gz RMAXLOYZIYACOU-SNVBAGLBSA-N 1 0 252.318 1.912 20 5 CDBDRO CC(C)NC(=O)c1ccc(NCCCC[NH3+])c([N+](=O)[O-])c1 ZINC000420235669 392910322 /nfs/dbraw/zinc/91/03/22/392910322.db2.gz OWUHJAQITHTRBG-UHFFFAOYSA-N 1 0 294.355 1.884 20 5 CDBDRO C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2F)[C@@H](C[NH3+])C1 ZINC000420256068 392915239 /nfs/dbraw/zinc/91/52/39/392915239.db2.gz GRTJOHLNASWCGG-RKDXNWHRSA-N 1 0 268.292 1.693 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417843929 392874575 /nfs/dbraw/zinc/87/45/75/392874575.db2.gz HDJMQLNAAFMFDC-CMPLNLGQSA-N 1 0 292.339 1.625 20 5 CDBDRO Cc1cc(C(=O)NCC[N@H+]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000524720438 392917855 /nfs/dbraw/zinc/91/78/55/392917855.db2.gz QNGOOSYWFRVHNS-NSHDSACASA-N 1 0 291.351 1.975 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)[C@]23C[C@H]2CC[NH2+]3)cc1[N+](=O)[O-] ZINC000423278397 392961214 /nfs/dbraw/zinc/96/12/14/392961214.db2.gz PUQUTEKMMJZWOW-HCKVZZMMSA-N 1 0 289.335 1.832 20 5 CDBDRO CCOc1ccc([C@H](C)N[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000423340178 392962762 /nfs/dbraw/zinc/96/27/62/392962762.db2.gz XFVWFOCBJAGAKC-ZJUUUORDSA-N 1 0 267.329 1.991 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423607443 392966065 /nfs/dbraw/zinc/96/60/65/392966065.db2.gz MPYMCWXRWIVJBV-TXEJJXNPSA-N 1 0 289.335 1.503 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000423631784 392966107 /nfs/dbraw/zinc/96/61/07/392966107.db2.gz MZSAJDPUBBCSFE-SNVBAGLBSA-N 1 0 265.313 1.549 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423703953 392967174 /nfs/dbraw/zinc/96/71/74/392967174.db2.gz CXNZWFDPSSTNIV-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO CN(CC[NH3+])C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000424003200 392968633 /nfs/dbraw/zinc/96/86/33/392968633.db2.gz KCMGSVXITANISS-UHFFFAOYSA-N 1 0 279.321 1.840 20 5 CDBDRO C[C@@H]1CC[C@@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000429577722 393083217 /nfs/dbraw/zinc/08/32/17/393083217.db2.gz GICFPEYMBWNJFB-WZRBSPASSA-N 1 0 282.344 1.273 20 5 CDBDRO CC[N@@H+]1CC[C@H](N(C)Cc2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000429793168 393086399 /nfs/dbraw/zinc/08/63/99/393086399.db2.gz VHUKCJQMKUIVGC-RYUDHWBXSA-N 1 0 295.387 1.490 20 5 CDBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430273232 393094745 /nfs/dbraw/zinc/09/47/45/393094745.db2.gz MHHYOVISPZXUGY-CQSZACIVSA-N 1 0 295.314 1.692 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCCN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430574051 393101172 /nfs/dbraw/zinc/10/11/72/393101172.db2.gz SDWZATYTCUZTQA-OLZOCXBDSA-N 1 0 291.351 1.800 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000430646890 393104929 /nfs/dbraw/zinc/10/49/29/393104929.db2.gz PKSUPJKSLUQLAB-LBPRGKRZSA-N 1 0 279.340 1.787 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@H]1O ZINC000426220513 393040400 /nfs/dbraw/zinc/04/04/00/393040400.db2.gz QJNKOXAEMZZRIN-VXGBXAGGSA-N 1 0 268.317 1.027 20 5 CDBDRO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000430932137 393105451 /nfs/dbraw/zinc/10/54/51/393105451.db2.gz FRAQRCZPVKOAFX-RISCZKNCSA-N 1 0 279.340 1.643 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)ccc1[N+](=O)[O-] ZINC000449657767 393137683 /nfs/dbraw/zinc/13/76/83/393137683.db2.gz QQXLRIYZOXQHLL-LLVKDONJSA-N 1 0 299.277 1.630 20 5 CDBDRO Cc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000278734247 393142558 /nfs/dbraw/zinc/14/25/58/393142558.db2.gz LCMVESWHAWOCQM-TXEJJXNPSA-N 1 0 261.325 1.901 20 5 CDBDRO CCN1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000391563192 393150207 /nfs/dbraw/zinc/15/02/07/393150207.db2.gz BBRHFVBKKPLNGY-ZYHUDNBSSA-N 1 0 277.324 1.866 20 5 CDBDRO C[NH+](C)C1(CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000493759749 393220116 /nfs/dbraw/zinc/22/01/16/393220116.db2.gz UKXCFJUNXZJRCY-BQYQJAHWSA-N 1 0 289.335 1.818 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132456270 139853478 /nfs/dbraw/zinc/85/34/78/139853478.db2.gz DGEABGMCGGZXTO-MNOVXSKESA-N 1 0 262.313 1.629 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](O)C(F)F)cs1 ZINC000226576281 140180820 /nfs/dbraw/zinc/18/08/20/140180820.db2.gz PRMICWLNYNCGFN-LURJTMIESA-N 1 0 252.242 1.372 20 5 CDBDRO COc1cc(N2CC[C@H](C[NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000227859991 140187833 /nfs/dbraw/zinc/18/78/33/140187833.db2.gz IMNHKAMIFFAXMW-MRVPVSSYSA-N 1 0 269.276 1.528 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000229591461 140202077 /nfs/dbraw/zinc/20/20/77/140202077.db2.gz NZLIGVOMTJLYDG-SKDRFNHKSA-N 1 0 299.352 1.014 20 5 CDBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000232976949 140225459 /nfs/dbraw/zinc/22/54/59/140225459.db2.gz GNAXCLKRYGUEOU-JTQLQIEISA-N 1 0 280.328 1.431 20 5 CDBDRO CCc1nn(C)c(N2CC[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC000261583982 140355582 /nfs/dbraw/zinc/35/55/82/140355582.db2.gz HPPCGNBQBGQGHJ-GFCCVEGCSA-N 1 0 267.333 1.066 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000261596929 140360467 /nfs/dbraw/zinc/36/04/67/140360467.db2.gz YAIVXIOQERKZHJ-NSHDSACASA-N 1 0 283.303 1.837 20 5 CDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000261596785 140360540 /nfs/dbraw/zinc/36/05/40/140360540.db2.gz UFRMPGOMUBJOLP-LLVKDONJSA-N 1 0 283.303 1.837 20 5 CDBDRO Cn1c(-c2nc(C3([NH3+])CCCC3)no2)ccc1[N+](=O)[O-] ZINC000261685689 140375450 /nfs/dbraw/zinc/37/54/50/140375450.db2.gz HDNHYOWEBSKQGU-UHFFFAOYSA-N 1 0 277.284 1.711 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261746670 140383427 /nfs/dbraw/zinc/38/34/27/140383427.db2.gz SQTYKNYNEMGGLU-VXGBXAGGSA-N 1 0 289.335 1.727 20 5 CDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000261785845 140389460 /nfs/dbraw/zinc/38/94/60/140389460.db2.gz XICWYGKPXORGFU-TVYUQYBPSA-N 1 0 290.323 1.796 20 5 CDBDRO COc1cc(N2CC[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000261802794 140391837 /nfs/dbraw/zinc/39/18/37/140391837.db2.gz RMADNFVLKIGVMJ-CQSZACIVSA-N 1 0 277.324 1.793 20 5 CDBDRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000036257844 397923451 /nfs/dbraw/zinc/92/34/51/397923451.db2.gz SGUOAPFWYMRTMD-VIFPVBQESA-N 1 0 278.312 1.327 20 5 CDBDRO Cc1cnc(N2CC[C@@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000094342501 292913015 /nfs/dbraw/zinc/91/30/15/292913015.db2.gz ITUFXVAJGRWRPL-NXEZZACHSA-N 1 0 250.302 1.472 20 5 CDBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000178824485 148093914 /nfs/dbraw/zinc/09/39/14/148093914.db2.gz HCRBGRCLPADEOU-SECBINFHSA-N 1 0 292.339 1.376 20 5 CDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC000262061307 149006561 /nfs/dbraw/zinc/00/65/61/149006561.db2.gz RQXGJLXLXKAHBA-ZDUSSCGKSA-N 1 0 295.343 1.081 20 5 CDBDRO Cc1nc(NC[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000311100743 149210510 /nfs/dbraw/zinc/21/05/10/149210510.db2.gz KDLULRIKFVNSFR-VIFPVBQESA-N 1 0 252.318 1.908 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)C2=O)cc1[N+](=O)[O-] ZINC000178688870 292247894 /nfs/dbraw/zinc/24/78/94/292247894.db2.gz DUGDXSOJKRNQGR-CMPLNLGQSA-N 1 0 277.324 1.785 20 5 CDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@H]1O ZINC000352665605 155336414 /nfs/dbraw/zinc/33/64/14/155336414.db2.gz FTWWAAKYSUNIRL-WCQYABFASA-N 1 0 280.324 1.819 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000343455655 152185834 /nfs/dbraw/zinc/18/58/34/152185834.db2.gz USHUZRDKAWLDSJ-ZWNOBZJWSA-N 1 0 292.339 1.511 20 5 CDBDRO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])[nH]1)[NH+]1CCCCC1 ZINC000344941036 152692328 /nfs/dbraw/zinc/69/23/28/152692328.db2.gz KDPZIUJUPIAZEO-NSHDSACASA-N 1 0 294.355 1.917 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000346258388 153115050 /nfs/dbraw/zinc/11/50/50/153115050.db2.gz JWFIRUZBALYZCC-MRVPVSSYSA-N 1 0 295.295 1.003 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000261657194 292288489 /nfs/dbraw/zinc/28/84/89/292288489.db2.gz KFWJACIWWJBCCE-ZDUSSCGKSA-N 1 0 290.367 1.387 20 5 CDBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H](C)O ZINC000352203365 155019867 /nfs/dbraw/zinc/01/98/67/155019867.db2.gz REYIKICUORPUAA-LLVKDONJSA-N 1 0 268.313 1.676 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CC[C@@H](CO)O2)cs1 ZINC000353701847 156025100 /nfs/dbraw/zinc/02/51/00/156025100.db2.gz HSHCHSYWOFQRPX-UWVGGRQHSA-N 1 0 272.326 1.286 20 5 CDBDRO CCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)CC1CC1 ZINC000355784298 157232847 /nfs/dbraw/zinc/23/28/47/157232847.db2.gz JGXLKZCRSBPQGI-UHFFFAOYSA-N 1 0 252.318 1.950 20 5 CDBDRO Cc1cccc(C(=O)N2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000041028597 292415927 /nfs/dbraw/zinc/41/59/27/292415927.db2.gz HWIONIQTIJUHGZ-JTQLQIEISA-N 1 0 263.297 1.467 20 5 CDBDRO C[C@@H]([NH2+]CCC(C)(C)O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285351144 196257717 /nfs/dbraw/zinc/25/77/17/196257717.db2.gz VGFLRVINDZBHJJ-SECBINFHSA-N 1 0 267.329 1.989 20 5 CDBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000285600956 196339275 /nfs/dbraw/zinc/33/92/75/196339275.db2.gz BQAZFRQCNHAGNI-SECBINFHSA-N 1 0 280.328 1.280 20 5 CDBDRO CS(=O)(=O)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000038047404 174058157 /nfs/dbraw/zinc/05/81/57/174058157.db2.gz ZMJGSSGTPQAJPP-UHFFFAOYSA-N 1 0 272.326 1.119 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000040596008 174349023 /nfs/dbraw/zinc/34/90/23/174349023.db2.gz RCRHATSVCOLSIK-JTQLQIEISA-N 1 0 280.328 1.005 20 5 CDBDRO C[NH+]1CCC(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000044526411 175191501 /nfs/dbraw/zinc/19/15/01/175191501.db2.gz QJVNWJDSIPBSRY-UHFFFAOYSA-N 1 0 295.314 1.806 20 5 CDBDRO Cc1cccc(C(=O)N[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000071397123 176150740 /nfs/dbraw/zinc/15/07/40/176150740.db2.gz MNIDIGMLCCMPJH-JTQLQIEISA-N 1 0 263.297 1.385 20 5 CDBDRO C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000235346529 296908700 /nfs/dbraw/zinc/90/87/00/296908700.db2.gz NDQQHVLTWFUCJO-APPZFPTMSA-N 1 0 283.715 1.667 20 5 CDBDRO CCC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000324708575 270332159 /nfs/dbraw/zinc/33/21/59/270332159.db2.gz COVZWBJYKZOCTQ-UONOGXRCSA-N 1 0 296.371 1.711 20 5 CDBDRO CNC(=O)c1ccc(NCC2([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000397832430 270351859 /nfs/dbraw/zinc/35/18/59/270351859.db2.gz ZFAIUQHSXJSJOW-UHFFFAOYSA-N 1 0 292.339 1.461 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000178734587 274981745 /nfs/dbraw/zinc/98/17/45/274981745.db2.gz GNOVOQFSFBKOQG-QMMMGPOBSA-N 1 0 283.715 1.730 20 5 CDBDRO CC(C)C[C@H]([NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676247 275915537 /nfs/dbraw/zinc/91/55/37/275915537.db2.gz NHKRCKWGNRXRJB-ZDUSSCGKSA-N 1 0 279.340 1.627 20 5 CDBDRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000359033532 276107641 /nfs/dbraw/zinc/10/76/41/276107641.db2.gz TTZHCXPMXAOTMH-JTQLQIEISA-N 1 0 295.343 1.264 20 5 CDBDRO CC[NH2+][C@H](C)CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423389661 276270493 /nfs/dbraw/zinc/27/04/93/276270493.db2.gz VKQMCUSCLMANOD-JHJVBQTASA-N 1 0 295.387 1.863 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)CC[NH+](C)C ZINC000091550048 276722627 /nfs/dbraw/zinc/72/26/27/276722627.db2.gz GBEMEBBYESOCQV-SECBINFHSA-N 1 0 269.349 1.872 20 5 CDBDRO C[NH+]1CCC([C@H]2CCN(c3ncc([N+](=O)[O-])cn3)C2)CC1 ZINC000364858650 277034964 /nfs/dbraw/zinc/03/49/64/277034964.db2.gz RUBGZLJSVLQYJN-LBPRGKRZSA-N 1 0 291.355 1.553 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000147925498 277042600 /nfs/dbraw/zinc/04/26/00/277042600.db2.gz YJOWINGMSGYCCI-JTQLQIEISA-N 1 0 263.297 1.337 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000298560213 277231364 /nfs/dbraw/zinc/23/13/64/277231364.db2.gz IOAYJZYAWUSSHT-SECBINFHSA-N 1 0 251.286 1.209 20 5 CDBDRO C[NH2+][C@@H]1CCN(c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000129171416 277296482 /nfs/dbraw/zinc/29/64/82/277296482.db2.gz UPQRXTQOFWCXGX-SECBINFHSA-N 1 0 251.286 1.402 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000124765395 279458455 /nfs/dbraw/zinc/45/84/55/279458455.db2.gz DYPFNCLIGXHIQA-KOLCDFICSA-N 1 0 263.297 1.547 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000129253536 279595014 /nfs/dbraw/zinc/59/50/14/279595014.db2.gz AOHZWMGGUYXBNO-BCMFZCSUSA-N 1 0 289.335 1.946 20 5 CDBDRO CC1(C)CC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000132494288 279707521 /nfs/dbraw/zinc/70/75/21/279707521.db2.gz SOLNSINTXRZWFI-PWSUYJOCSA-N 1 0 282.344 1.321 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000195316706 280078391 /nfs/dbraw/zinc/07/83/91/280078391.db2.gz JDUOMCCSUFFGRB-GFCCVEGCSA-N 1 0 277.324 1.727 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000216997360 280088024 /nfs/dbraw/zinc/08/80/24/280088024.db2.gz RPQZIIDBCUARHS-FMFIFOJESA-N 1 0 277.324 1.708 20 5 CDBDRO C[C@H]1[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343418132 280105924 /nfs/dbraw/zinc/10/59/24/280105924.db2.gz BCNMMORPJRQPQP-JQWIXIFHSA-N 1 0 277.324 1.807 20 5 CDBDRO O=C([C@H]1CCCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000237996914 280195975 /nfs/dbraw/zinc/19/59/75/280195975.db2.gz ZQVIIGGXGXEELW-CQSZACIVSA-N 1 0 289.335 1.622 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423969976 280397842 /nfs/dbraw/zinc/39/78/42/280397842.db2.gz FLFGZPXGFNRBNI-ZYHUDNBSSA-N 1 0 291.351 1.939 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000264355785 280539171 /nfs/dbraw/zinc/53/91/71/280539171.db2.gz AJHMZOLOCBOMRX-JTQLQIEISA-N 1 0 283.353 1.823 20 5 CDBDRO CC(C)c1ccc(C(=O)N[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000423586399 280756973 /nfs/dbraw/zinc/75/69/73/280756973.db2.gz CRNHLDKZHAEDBS-VIFPVBQESA-N 1 0 265.313 1.795 20 5 CDBDRO COc1cc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000154149912 289196065 /nfs/dbraw/zinc/19/60/65/289196065.db2.gz KLLNUOVNUQAXLI-GXSJLCMTSA-N 1 0 293.323 1.555 20 5 CDBDRO CC1(C)CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000255512508 289374378 /nfs/dbraw/zinc/37/43/78/289374378.db2.gz GKRHLVNBKPHCHD-SREVYHEPSA-N 1 0 289.335 1.818 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1C2CCC1CC2 ZINC000542208761 289536367 /nfs/dbraw/zinc/53/63/67/289536367.db2.gz ANKWQZSIYQFFPE-BPCQOVAHSA-N 1 0 292.335 1.961 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCO[C@@H](C[NH+](C)C)C1 ZINC000266504197 290266792 /nfs/dbraw/zinc/26/67/92/290266792.db2.gz BIEZTYPYOLOCND-OLZOCXBDSA-N 1 0 293.367 1.918 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000320290664 292929633 /nfs/dbraw/zinc/92/96/33/292929633.db2.gz YQNCDYIVQUXPKT-NXEZZACHSA-N 1 0 265.313 1.759 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000562294282 293128647 /nfs/dbraw/zinc/12/86/47/293128647.db2.gz CLNQALXRFOCSAG-JTQLQIEISA-N 1 0 280.328 1.344 20 5 CDBDRO Cc1nc(N2CC[C@@H]([NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000568355974 294019303 /nfs/dbraw/zinc/01/93/03/294019303.db2.gz WDRRJPXZXDKNAM-LLVKDONJSA-N 1 0 277.328 1.368 20 5 CDBDRO COc1cccc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC000261710405 295306131 /nfs/dbraw/zinc/30/61/31/295306131.db2.gz JIZZTWGUEGJMQA-WDEREUQCSA-N 1 0 277.324 1.649 20 5 CDBDRO C[C@H](CCN1CCOCC1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000124243715 298430505 /nfs/dbraw/zinc/43/05/05/298430505.db2.gz SCSQLIZCIZAMGV-CYBMUJFWSA-N 1 0 293.367 1.795 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000566071088 316466261 /nfs/dbraw/zinc/46/62/61/316466261.db2.gz GMJRCZMDBDSTQR-ONGXEEELSA-N 1 0 290.323 1.001 20 5 CDBDRO CNc1ccc(C(=O)N[C@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000566246815 316528587 /nfs/dbraw/zinc/52/85/87/316528587.db2.gz BJNZYDSKAZLUOR-CQSZACIVSA-N 1 0 292.339 1.494 20 5 CDBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000576441174 317138058 /nfs/dbraw/zinc/13/80/58/317138058.db2.gz FSPXTWLLIFPSFR-SECBINFHSA-N 1 0 283.332 1.168 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000389762308 323810099 /nfs/dbraw/zinc/81/00/99/323810099.db2.gz YRYPDVOVZSSUKB-WPRPVWTQSA-N 1 0 297.742 1.976 20 5 CDBDRO CC[N@H+](C)CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000579104051 324104188 /nfs/dbraw/zinc/10/41/88/324104188.db2.gz JMJVQQOUEYYVNN-NSHDSACASA-N 1 0 279.340 1.766 20 5 CDBDRO [NH3+]C[C@H](Cn1nccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000583320138 325151232 /nfs/dbraw/zinc/15/12/32/325151232.db2.gz DGGNCFVVVSPFKI-SNVBAGLBSA-N 1 0 264.260 1.673 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000036282046 329506232 /nfs/dbraw/zinc/50/62/32/329506232.db2.gz TZXCUQJERVGDJB-UHFFFAOYSA-N 1 0 265.313 1.633 20 5 CDBDRO [NH3+]CCCCCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000698104625 1160915502 /nfs/dbraw/zinc/91/55/02/1160915502.db2.gz KLQOPOKBCWORQZ-UHFFFAOYSA-N 1 0 265.313 1.844 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417937262 533864739 /nfs/dbraw/zinc/86/47/39/533864739.db2.gz IBXGVRDIWNWNAM-LLVKDONJSA-N 1 0 294.355 1.564 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]3C[C@@H]32)nc1C1C[NH2+]C1 ZINC001157151737 1162046531 /nfs/dbraw/zinc/04/65/31/1162046531.db2.gz MNBJVUONQDJFDP-SCZZXKLOSA-N 1 0 275.312 1.060 20 5 CDBDRO C[NH+](C)C[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000132916707 517906736 /nfs/dbraw/zinc/90/67/36/517906736.db2.gz WISCGFJLEMFYPJ-GFCCVEGCSA-N 1 0 287.747 1.973 20 5 CDBDRO CC(C)([NH3+])CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000405876620 1186580489 /nfs/dbraw/zinc/58/04/89/1186580489.db2.gz FLLPNLJJJSCDRA-UHFFFAOYSA-N 1 0 265.313 1.381 20 5 CDBDRO CC(C)(C(=O)NC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000269158185 534347529 /nfs/dbraw/zinc/34/75/29/534347529.db2.gz ZMRSACGAMPULBZ-GFCCVEGCSA-N 1 0 291.351 1.741 20 5 CDBDRO CC(C)(NC(=O)[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000236669250 519312804 /nfs/dbraw/zinc/31/28/04/519312804.db2.gz SBNVUUIJLGIPOB-SNVBAGLBSA-N 1 0 277.324 1.556 20 5 CDBDRO O=C(Nc1cccc(F)c1)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000791054692 1162187307 /nfs/dbraw/zinc/18/73/07/1162187307.db2.gz PCLMFOAIKSBOOA-UHFFFAOYSA-N 1 0 295.314 1.753 20 5 CDBDRO CC[NH+](CC)CCCn1cc([N+](=O)[O-])ccc1=O ZINC000188203413 520639204 /nfs/dbraw/zinc/63/92/04/520639204.db2.gz KGEVLZLOMCGUMS-UHFFFAOYSA-N 1 0 253.302 1.488 20 5 CDBDRO CCNC(=O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000339327507 521746692 /nfs/dbraw/zinc/74/66/92/521746692.db2.gz IZHPBXQDGDUFJJ-CYBMUJFWSA-N 1 0 279.340 1.845 20 5 CDBDRO O=C(C[NH2+]CC1CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000157471485 534590408 /nfs/dbraw/zinc/59/04/08/534590408.db2.gz GADOJEYOJHLIMN-UHFFFAOYSA-N 1 0 289.335 1.479 20 5 CDBDRO C[N@@H+]1CCC[C@@]2(CCN(CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339431796 523837260 /nfs/dbraw/zinc/83/72/60/523837260.db2.gz VYSAMLCWYHBXJX-CQSZACIVSA-N 1 0 293.371 1.209 20 5 CDBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000188384823 524796815 /nfs/dbraw/zinc/79/68/15/524796815.db2.gz PPNMZUBLUPXFCO-SECBINFHSA-N 1 0 297.742 1.611 20 5 CDBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235723215 524812962 /nfs/dbraw/zinc/81/29/62/524812962.db2.gz AQNXCJJIPLGKIY-UWVGGRQHSA-N 1 0 299.352 1.014 20 5 CDBDRO O=C1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CN1 ZINC000111021103 526994289 /nfs/dbraw/zinc/99/42/89/526994289.db2.gz CFKBMLOOBKJPDJ-VIFPVBQESA-N 1 0 283.715 1.616 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCOC2)cc1 ZINC000070069991 527347785 /nfs/dbraw/zinc/34/77/85/527347785.db2.gz OJAUUUHEWHTKRI-LBPRGKRZSA-N 1 0 250.298 1.906 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCCCO)CC2)n1 ZINC000365871065 527406797 /nfs/dbraw/zinc/40/67/97/527406797.db2.gz IVKIZPJIFVEQSP-UHFFFAOYSA-N 1 0 282.344 1.591 20 5 CDBDRO Nc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000058402197 527470229 /nfs/dbraw/zinc/47/02/29/527470229.db2.gz ATMHNILAXKAMDW-UHFFFAOYSA-N 1 0 292.339 1.393 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000135444178 535171661 /nfs/dbraw/zinc/17/16/61/535171661.db2.gz CWBCLIADWLKBAM-UHFFFAOYSA-N 1 0 265.313 1.633 20 5 CDBDRO CC[NH2+]CC1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000269203682 535456858 /nfs/dbraw/zinc/45/68/58/535456858.db2.gz YSZMYYSNPBYTNY-UHFFFAOYSA-N 1 0 295.343 1.088 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417147021 535514052 /nfs/dbraw/zinc/51/40/52/535514052.db2.gz YXDOMENULGHGMX-MNOVXSKESA-N 1 0 294.355 1.953 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261811541 536144422 /nfs/dbraw/zinc/14/44/22/536144422.db2.gz SGNLLIKPTUOOBB-ZDUSSCGKSA-N 1 0 279.344 1.309 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@](C)(C[NH3+])C2)c1 ZINC000262134926 536950351 /nfs/dbraw/zinc/95/03/51/536950351.db2.gz WUJHKXGITCXEKM-AWEZNQCLSA-N 1 0 293.323 1.414 20 5 CDBDRO CCc1n[nH]c(C(=O)N[C@@H](C[NH+](C)C)C(C)C)c1[N+](=O)[O-] ZINC000767922479 576239181 /nfs/dbraw/zinc/23/91/81/576239181.db2.gz PXCLRBHVYNOLRA-JTQLQIEISA-N 1 0 297.359 1.196 20 5 CDBDRO Cc1cc(C(=O)NOC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000773548443 575823395 /nfs/dbraw/zinc/82/33/95/575823395.db2.gz BPMYRDJJHXESSX-UHFFFAOYSA-N 1 0 293.323 1.659 20 5 CDBDRO COC[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749650091 576956722 /nfs/dbraw/zinc/95/67/22/576956722.db2.gz ZHBBJUZVTHFMLS-SKDRFNHKSA-N 1 0 254.286 1.253 20 5 CDBDRO C[N@@H+]1CC[C@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756997981 577019429 /nfs/dbraw/zinc/01/94/29/577019429.db2.gz JEGGTMZFATWEIX-VIFPVBQESA-N 1 0 297.742 1.816 20 5 CDBDRO Cc1cc(F)cc(C(=O)NC[C@@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000758413497 577106723 /nfs/dbraw/zinc/10/67/23/577106723.db2.gz ZSWSVIWPCHQVCM-SECBINFHSA-N 1 0 283.303 1.722 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000124084198 1175294775 /nfs/dbraw/zinc/29/47/75/1175294775.db2.gz WMAAHQOPGIUVSP-NSHDSACASA-N 1 0 264.329 1.734 20 5 CDBDRO CCN(c1ccc([N+](=O)[O-])c(C)n1)[C@H]1CCC[NH2+]C1 ZINC000124123734 1175296852 /nfs/dbraw/zinc/29/68/52/1175296852.db2.gz MEOLICSAPCOHLW-NSHDSACASA-N 1 0 264.329 1.877 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891447382 617400311 /nfs/dbraw/zinc/40/03/11/617400311.db2.gz UZJTWDXWKLQVCI-TXEJJXNPSA-N 1 0 290.323 1.241 20 5 CDBDRO O=[N+]([O-])c1ccccc1CCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925514471 617421290 /nfs/dbraw/zinc/42/12/90/617421290.db2.gz ONOULVFHUTXLLZ-XNHWPECASA-N 1 0 287.363 1.723 20 5 CDBDRO COCCOC[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000892609304 617533059 /nfs/dbraw/zinc/53/30/59/617533059.db2.gz ZZUYSVKJFNKLPI-NSHDSACASA-N 1 0 268.313 1.736 20 5 CDBDRO C[C@@H]1C[C@H](Nc2c([N+](=O)[O-])cnn2C)CC[N@@H+]1C ZINC000892674493 617581025 /nfs/dbraw/zinc/58/10/25/617581025.db2.gz WBWBOKZSYOUOPH-RKDXNWHRSA-N 1 0 253.306 1.223 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000934011510 617840832 /nfs/dbraw/zinc/84/08/32/617840832.db2.gz MTCAROMIPYNQNL-KGLIPLIRSA-N 1 0 291.351 1.718 20 5 CDBDRO C[C@]1(NC(=O)c2csc([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC000892793825 617755946 /nfs/dbraw/zinc/75/59/46/617755946.db2.gz VBYZZODZZZCZRD-ZDUSSCGKSA-N 1 0 295.364 1.870 20 5 CDBDRO C[N@@H+]1C[C@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])[C@@H]2C1 ZINC000893941942 618206234 /nfs/dbraw/zinc/20/62/34/618206234.db2.gz XPBGCGXBULUPAU-RKDXNWHRSA-N 1 0 293.352 1.444 20 5 CDBDRO C[N@@H+]1C[C@@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])[C@@H]2C1 ZINC000893941935 618206242 /nfs/dbraw/zinc/20/62/42/618206242.db2.gz XPBGCGXBULUPAU-DTWKUNHWSA-N 1 0 293.352 1.444 20 5 CDBDRO [NH3+]C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000841100671 618682625 /nfs/dbraw/zinc/68/26/25/618682625.db2.gz LCNHPSQDSPIMNN-GFCCVEGCSA-N 1 0 299.758 1.798 20 5 CDBDRO CC1=NO[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000895305607 619532817 /nfs/dbraw/zinc/53/28/17/619532817.db2.gz UZZJJHRWKJOCFD-CYBMUJFWSA-N 1 0 263.297 1.892 20 5 CDBDRO CN1CC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000903317081 625970567 /nfs/dbraw/zinc/97/05/67/625970567.db2.gz JHVKVRMSZITSFF-FRRDWIJNSA-N 1 0 293.371 1.569 20 5 CDBDRO O=C(c1ccccc1F)N1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905051124 626387099 /nfs/dbraw/zinc/38/70/99/626387099.db2.gz ZGYSEYRUVYDDEN-UHFFFAOYSA-N 1 0 295.314 1.297 20 5 CDBDRO Cc1ccc(C[NH2+]CC[N+](=O)[O-])c(N2CCOCC2)c1 ZINC000905159120 626641853 /nfs/dbraw/zinc/64/18/53/626641853.db2.gz KHTAYKBDEXNGLU-UHFFFAOYSA-N 1 0 279.340 1.198 20 5 CDBDRO CO[C@@H](C[NH2+]CC[N+](=O)[O-])c1ccccc1Cl ZINC000905163935 626674253 /nfs/dbraw/zinc/67/42/53/626674253.db2.gz DNAYGNLUWDNBKD-NSHDSACASA-N 1 0 258.705 1.894 20 5 CDBDRO C[N@H+](Cc1ccccc1)[C@H](CNCC[N+](=O)[O-])C1CC1 ZINC000905219940 626698418 /nfs/dbraw/zinc/69/84/18/626698418.db2.gz VHJJMDUILKFCQL-OAHLLOKOSA-N 1 0 277.368 1.763 20 5 CDBDRO C[C@@H](CCOCc1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000905264232 626713032 /nfs/dbraw/zinc/71/30/32/626713032.db2.gz ZVOOAYLWLPSTPA-LBPRGKRZSA-N 1 0 252.314 1.848 20 5 CDBDRO O=[N+]([O-])CC[NH2+]Cc1ccnc(N2CCSCC2)c1 ZINC000905405087 626798108 /nfs/dbraw/zinc/79/81/08/626798108.db2.gz QBQIRZAMAHPVEC-UHFFFAOYSA-N 1 0 282.369 1.001 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911828793 629558050 /nfs/dbraw/zinc/55/80/50/629558050.db2.gz CMDFHVWSUOGTSW-BFHYXJOUSA-N 1 0 291.351 1.798 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911906627 629639778 /nfs/dbraw/zinc/63/97/78/629639778.db2.gz IKVKJSOXOUXCGJ-MVWJERBFSA-N 1 0 275.308 1.982 20 5 CDBDRO C[N@@H+]1CCC[C@H]1Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000917321975 632197684 /nfs/dbraw/zinc/19/76/84/632197684.db2.gz XHLJETXLHQKOGO-VIFPVBQESA-N 1 0 271.704 1.504 20 5 CDBDRO COc1ccc(C[C@@H](C)NOCC[NH3+])c([N+](=O)[O-])c1 ZINC001170295689 1162327658 /nfs/dbraw/zinc/32/76/58/1162327658.db2.gz DTBXLYYNHLUBPO-SECBINFHSA-N 1 0 269.301 1.014 20 5 CDBDRO COc1ccc(C[C@@H](C)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001170328307 1162338248 /nfs/dbraw/zinc/33/82/48/1162338248.db2.gz JNCAJIZBYUBLSD-GFCCVEGCSA-N 1 0 293.367 1.782 20 5 CDBDRO Cc1c(C)c(N2CCC[C@H]([NH3+])[C@@H]2C)ncc1[N+](=O)[O-] ZINC001157744833 1162385849 /nfs/dbraw/zinc/38/58/49/1162385849.db2.gz YMSDYQCKLCPDMK-QWRGUYRKSA-N 1 0 264.329 1.923 20 5 CDBDRO [NH3+]C[C@@]1(F)CCN(c2cc([N+](=O)[O-])cc(Cl)n2)C1 ZINC001157809777 1162440883 /nfs/dbraw/zinc/44/08/83/1162440883.db2.gz SVIXMIJOMHVOSC-JTQLQIEISA-N 1 0 274.683 1.520 20 5 CDBDRO [NH3+]Cc1ccc2ncn(-c3ncc([N+](=O)[O-])cc3F)c2c1 ZINC001158006233 1162672044 /nfs/dbraw/zinc/67/20/44/1162672044.db2.gz ORKOACZMPBHFJH-UHFFFAOYSA-N 1 0 287.254 1.927 20 5 CDBDRO CCOc1nc(N(CC)[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001158203982 1162781074 /nfs/dbraw/zinc/78/10/74/1162781074.db2.gz BYYMAKVGWFRKRA-NSHDSACASA-N 1 0 294.355 1.967 20 5 CDBDRO Cc1cc(C(=O)NOC2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000808024532 1162800686 /nfs/dbraw/zinc/80/06/86/1162800686.db2.gz LOYFCQNOIBPXNG-UHFFFAOYSA-N 1 0 293.323 1.659 20 5 CDBDRO Cn1cnc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000808387992 1162849495 /nfs/dbraw/zinc/84/94/95/1162849495.db2.gz AINVHKHMIHVYSZ-UHFFFAOYSA-N 1 0 276.296 1.497 20 5 CDBDRO [NH3+]Cc1cnnn1-c1ccc2ccc3cccnc3c2n1 ZINC001158420723 1162968613 /nfs/dbraw/zinc/96/86/13/1162968613.db2.gz XRNSTSJTTQYDOI-UHFFFAOYSA-N 1 0 276.303 1.822 20 5 CDBDRO C[C@@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(F)F ZINC000698681063 1161063381 /nfs/dbraw/zinc/06/33/81/1161063381.db2.gz YKNWBDPJWKUIPE-LLVKDONJSA-N 1 0 260.240 1.701 20 5 CDBDRO Cc1cnc(N2CC([N@@H+](C)[C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001158726938 1163493934 /nfs/dbraw/zinc/49/39/34/1163493934.db2.gz VBSSLKZMPYSMNO-NSHDSACASA-N 1 0 292.339 1.208 20 5 CDBDRO C[C@H]([NH2+]CCCn1cncn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815605100 1164127352 /nfs/dbraw/zinc/12/73/52/1164127352.db2.gz LELAHYSDZQNFAE-JTQLQIEISA-N 1 0 290.327 1.509 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000866678749 1164806636 /nfs/dbraw/zinc/80/66/36/1164806636.db2.gz XCTWKEICLDQLAG-QWRGUYRKSA-N 1 0 251.261 1.280 20 5 CDBDRO C[C@@]([NH3+])(C(=O)N[C@@H]1C=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000867984430 1164892760 /nfs/dbraw/zinc/89/27/60/1164892760.db2.gz PHRLZXZFSTZCEE-RISCZKNCSA-N 1 0 275.308 1.604 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1C[C@H](O)C1 ZINC000873177499 1165518727 /nfs/dbraw/zinc/51/87/27/1165518727.db2.gz PTOGYRIVWIUSMC-WASLNJNHSA-N 1 0 262.309 1.969 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[NH+](C)CC1 ZINC000876510734 1165860036 /nfs/dbraw/zinc/86/00/36/1165860036.db2.gz ZDGQEEZIOLPXEI-UHFFFAOYSA-N 1 0 263.341 1.959 20 5 CDBDRO CCOc1ccc(C(=O)N(C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000877098539 1165974793 /nfs/dbraw/zinc/97/47/93/1165974793.db2.gz VTCZGMLWRCKTOT-SECBINFHSA-N 1 0 281.312 1.413 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000877174606 1165988346 /nfs/dbraw/zinc/98/83/46/1165988346.db2.gz GZALCDBUTSWEIN-BDAKNGLRSA-N 1 0 297.286 1.061 20 5 CDBDRO Cc1c(C[NH2+]C2([C@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000877637435 1166070778 /nfs/dbraw/zinc/07/07/78/1166070778.db2.gz HVFXZHULTYPKER-JTQLQIEISA-N 1 0 250.298 1.906 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1NCc1ccc2c(c1)CC[NH2+]C2 ZINC001155271787 1167112801 /nfs/dbraw/zinc/11/28/01/1167112801.db2.gz BYFHKRNMMQPAEL-UHFFFAOYSA-N 1 0 299.334 1.830 20 5 CDBDRO [NH3+][C@H]1COC[C@H]1Nc1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001155345897 1167136152 /nfs/dbraw/zinc/13/61/52/1167136152.db2.gz MVJMRPWZCBQJFP-NTSWFWBYSA-N 1 0 293.110 1.435 20 5 CDBDRO Cc1nc(N[C@H]2COCCC23C[NH2+]C3)ccc1[N+](=O)[O-] ZINC001155463140 1167179987 /nfs/dbraw/zinc/17/99/87/1167179987.db2.gz VYQBEXIPLYIBAA-NSHDSACASA-N 1 0 278.312 1.089 20 5 CDBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC/C=C\C[NH3+] ZINC001577095943 1171600293 /nfs/dbraw/zinc/60/02/93/1171600293.db2.gz BCWOKNPRGCSTFH-DHCBQETCSA-N 1 0 291.351 1.795 20 5 CDBDRO NC(=O)c1ccc(N2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000070171335 1171645767 /nfs/dbraw/zinc/64/57/67/1171645767.db2.gz PTINUXKKMIHDQH-JTQLQIEISA-N 1 0 292.339 1.259 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2C[C@H]([NH3+])C23CCC3)n1 ZINC001579642502 1172232324 /nfs/dbraw/zinc/23/23/24/1172232324.db2.gz IQNCAUNHQVJECE-RYUDHWBXSA-N 1 0 290.323 1.298 20 5 CDBDRO [NH3+]C1(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])CCC1 ZINC001580152948 1172362775 /nfs/dbraw/zinc/36/27/75/1172362775.db2.gz YPPVYMUNWFVFMJ-UHFFFAOYSA-N 1 0 290.298 1.997 20 5 CDBDRO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1F ZINC001580251777 1172384587 /nfs/dbraw/zinc/38/45/87/1172384587.db2.gz NOOYOZHIHSCANL-OTYXRUKQSA-N 1 0 293.298 1.687 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001580654329 1172499311 /nfs/dbraw/zinc/49/93/11/1172499311.db2.gz HXMNOIQGFDECPS-FPMFFAJLSA-N 1 0 289.335 1.567 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000133331243 1175803768 /nfs/dbraw/zinc/80/37/68/1175803768.db2.gz UMIXIGJWDFEOEE-SNVBAGLBSA-N 1 0 250.302 1.486 20 5 CDBDRO Cc1nc(NC2(C)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000229630347 1178131574 /nfs/dbraw/zinc/13/15/74/1178131574.db2.gz CVYDIBAKSZSCBK-UHFFFAOYSA-N 1 0 250.302 1.852 20 5 CDBDRO C[NH+](C)C[C@H]1CCCN1c1nc(Cl)ncc1[N+](=O)[O-] ZINC000234245690 1178215368 /nfs/dbraw/zinc/21/53/68/1178215368.db2.gz KTQFTUJWXQCQLM-MRVPVSSYSA-N 1 0 285.735 1.569 20 5 CDBDRO CC(C)CC[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000236738224 1178400167 /nfs/dbraw/zinc/40/01/67/1178400167.db2.gz VJAMUXKTFKJWRZ-ZIAGYGMSSA-N 1 0 282.340 1.625 20 5 CDBDRO [NH3+][C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000404475847 1186519870 /nfs/dbraw/zinc/51/98/70/1186519870.db2.gz GVJRHUIGINHQAN-RYUDHWBXSA-N 1 0 275.308 1.595 20 5 CDBDRO [NH3+][C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000404489130 1186521728 /nfs/dbraw/zinc/52/17/28/1186521728.db2.gz OUNWMZQFDFWCGE-RYUDHWBXSA-N 1 0 275.308 1.595 20 5 CDBDRO CCC[NH2+]CCNc1nccc(C(=O)OCC)c1[N+](=O)[O-] ZINC000420217568 1186697493 /nfs/dbraw/zinc/69/74/93/1186697493.db2.gz JTQQNYRUFLUSPM-UHFFFAOYSA-N 1 0 296.327 1.578 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2C[C@H](O)C2)c1F ZINC001173188891 912287421 /nfs/dbraw/zinc/28/74/21/912287421.db2.gz MAFWDIZMNIEPGH-GUBZILKMSA-N 1 0 298.314 1.786 20 5 CDBDRO CCn1nc(C(C)=O)c(O[C@H](C)C[N+](C)(C)C)c1C ZINC001233659248 912944049 /nfs/dbraw/zinc/94/40/49/912944049.db2.gz DMKIOYZTYNIOHY-SNVBAGLBSA-N 1 0 268.381 1.888 20 5 CDBDRO [NH3+][C@H]1C[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000692990195 894570973 /nfs/dbraw/zinc/57/09/73/894570973.db2.gz RMUPJDYMVUCKGO-KYZUINATSA-N 1 0 260.253 1.850 20 5 CDBDRO COc1ccc(N[C@H]2CC[N@H+](C)C2)nc1[N+](=O)[O-] ZINC001167270403 895008107 /nfs/dbraw/zinc/00/81/07/895008107.db2.gz TXOGGJFGWMOHKW-QMMMGPOBSA-N 1 0 252.274 1.114 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1O[C@@H](C)CN1CCOCC1 ZINC001226760522 905581019 /nfs/dbraw/zinc/58/10/19/905581019.db2.gz AZYPKQBHSYQEDJ-NSHDSACASA-N 1 0 281.312 1.398 20 5 CDBDRO O=C(NCC[NH2+]Cc1cccc(Cl)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936833 909932856 /nfs/dbraw/zinc/93/28/56/909932856.db2.gz TTWQKTNIAGUBBV-VXGBXAGGSA-N 1 0 297.742 1.211 20 5 CDBDRO COc1cc(Nc2nccnc2C[NH3+])cc([N+](=O)[O-])c1C ZINC001171448233 910655040 /nfs/dbraw/zinc/65/50/40/910655040.db2.gz VTOKMZGIMHJBKX-UHFFFAOYSA-N 1 0 289.295 1.904 20 5 CDBDRO COC[C@H](C)OC[C@H](C)OC[C@@H](C)OCC[N+](C)(C)C ZINC001224771963 910663069 /nfs/dbraw/zinc/66/30/69/910663069.db2.gz VBGMYFMUGAMWEW-ZNMIVQPWSA-N 1 0 292.440 1.554 20 5 CDBDRO CN(C)CC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899389 912037406 /nfs/dbraw/zinc/03/74/06/912037406.db2.gz WMTRTQQFPCZUEM-CQSZACIVSA-N 1 0 277.368 1.993 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N[C@@H](C)C[N@@H+](C)C(C)C ZINC001117647356 921937516 /nfs/dbraw/zinc/93/75/16/921937516.db2.gz BLTYMJSVHFYNKA-NSHDSACASA-N 1 0 266.345 1.861 20 5 CDBDRO [NH3+]C[C@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000704329985 922870580 /nfs/dbraw/zinc/87/05/80/922870580.db2.gz IFCVXYJIHFWKFR-MRVPVSSYSA-N 1 0 283.715 1.669 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3C[C@@]3([NH3+])C2)n1 ZINC001165326235 925017697 /nfs/dbraw/zinc/01/76/97/925017697.db2.gz ACNNVHAROGDDRP-QPUJVOFHSA-N 1 0 282.731 1.879 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N(CCC[NH3+])C(C)C ZINC001156118541 927314622 /nfs/dbraw/zinc/31/46/22/927314622.db2.gz PKVCDSMHJDNNGE-UHFFFAOYSA-N 1 0 252.318 1.862 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1-n1cc2c(n1)CC[C@@H]([NH3+])C2 ZINC001168813000 927466709 /nfs/dbraw/zinc/46/67/09/927466709.db2.gz UNFJBOGQORNTJJ-SECBINFHSA-N 1 0 288.311 1.033 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C23CCC(O)(CC2)CC3)C1 ZINC001168976282 927563097 /nfs/dbraw/zinc/56/30/97/927563097.db2.gz CHMYFFSAURJXHO-KBHBFKLGSA-N 1 0 268.357 1.859 20 5 CDBDRO COc1ccccc1C(=O)C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168980235 927569291 /nfs/dbraw/zinc/56/92/91/927569291.db2.gz CJOGSEITSZVSBX-NWDGAFQWSA-N 1 0 292.335 1.913 20 5 CDBDRO Cc1ncc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)s1 ZINC001168961902 927583096 /nfs/dbraw/zinc/58/30/96/927583096.db2.gz LDVPPRNXDUJSOC-NXEZZACHSA-N 1 0 255.343 1.987 20 5 CDBDRO Cn1cc2c(n1)[C@H](C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)OCC2 ZINC001168964691 927586137 /nfs/dbraw/zinc/58/61/37/927586137.db2.gz VHORXTZLLBMDHL-UHTWSYAYSA-N 1 0 294.355 1.069 20 5 CDBDRO Cc1ccn2c(c1)nnc2C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168965299 927589791 /nfs/dbraw/zinc/58/97/91/927589791.db2.gz ZEUZDNWWYREJLW-RYUDHWBXSA-N 1 0 289.339 1.573 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc(CO)c2)C1 ZINC001168971381 927594048 /nfs/dbraw/zinc/59/40/48/927594048.db2.gz JYRDZGMIIKTZJH-OCCSQVGLSA-N 1 0 264.325 1.714 20 5 CDBDRO CC(C)N1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168972375 927596421 /nfs/dbraw/zinc/59/64/21/927596421.db2.gz MTSHDGDKUCKOEN-AVGNSLFASA-N 1 0 255.362 1.504 20 5 CDBDRO COc1ccc(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001168972512 927596542 /nfs/dbraw/zinc/59/65/42/927596542.db2.gz ABTFDRFUUNEZJA-CHWSQXEVSA-N 1 0 279.340 1.668 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1O ZINC001168997481 927602892 /nfs/dbraw/zinc/60/28/92/927602892.db2.gz ZWYBKUXFKWGZKZ-NEPJUHHUSA-N 1 0 280.324 1.936 20 5 CDBDRO CO[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169007204 927612194 /nfs/dbraw/zinc/61/21/94/927612194.db2.gz LTSMWPDSGNHJQM-NDBYEHHHSA-N 1 0 256.346 1.979 20 5 CDBDRO Cc1ncc2n1CCN([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169010241 927614652 /nfs/dbraw/zinc/61/46/52/927614652.db2.gz BRMAYLZVDWKPBD-VXGBXAGGSA-N 1 0 264.329 1.453 20 5 CDBDRO O=C1N[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc21 ZINC001168987020 927622029 /nfs/dbraw/zinc/62/20/29/927622029.db2.gz HDUVQZWKKWPFLF-KWBADKCTSA-N 1 0 275.308 1.464 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001168987433 927624188 /nfs/dbraw/zinc/62/41/88/927624188.db2.gz PCAFCCJJXBLXKK-UHFFFAOYSA-N 1 0 286.295 1.466 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CC(N3CC[C@H](F)C3)C2)C1 ZINC001169036107 927645234 /nfs/dbraw/zinc/64/52/34/927645234.db2.gz MZWSXSKLYRVKQF-SDDRHHMPSA-N 1 0 271.336 1.160 20 5 CDBDRO CC(=O)N(C)C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169037113 927646346 /nfs/dbraw/zinc/64/63/46/927646346.db2.gz JBHNYNWODLZTFE-OCCSQVGLSA-N 1 0 283.372 1.375 20 5 CDBDRO CC(C)[C@H]1COCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169041634 927653027 /nfs/dbraw/zinc/65/30/27/927653027.db2.gz BSDNSWHOFIBNET-RWMBFGLXSA-N 1 0 256.346 1.789 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CC(c3cccnc3)C2)C1 ZINC001169040140 927653292 /nfs/dbraw/zinc/65/32/92/927653292.db2.gz YFPADRQLOGUODS-RISCZKNCSA-N 1 0 261.325 1.926 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3OCCC[C@@H]3C2)C1 ZINC001169054266 927671813 /nfs/dbraw/zinc/67/18/13/927671813.db2.gz LKHSZSHRFHZMNS-REWJHTLYSA-N 1 0 268.357 1.933 20 5 CDBDRO O=[N+]([O-])c1cc(NCC[C@H]2CCC[NH2+]2)cnc1F ZINC001169568201 928184072 /nfs/dbraw/zinc/18/40/72/928184072.db2.gz UDVAVEYAFABNGO-MRVPVSSYSA-N 1 0 254.265 1.683 20 5 CDBDRO Cc1cc(Cl)c(NC[C@H]2COCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001170050009 929174247 /nfs/dbraw/zinc/17/42/47/929174247.db2.gz GGYMCKGBLBOZJV-VIFPVBQESA-N 1 0 285.731 1.957 20 5 CDBDRO COC(=O)c1cc(N(C)C(C)(C)C[NH3+])cc([N+](=O)[O-])c1 ZINC001170059479 929238449 /nfs/dbraw/zinc/23/84/49/929238449.db2.gz LDFXNMYQKKIYOZ-UHFFFAOYSA-N 1 0 281.312 1.555 20 5 CDBDRO CC1(C)C[NH2+]C[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000884064980 930427125 /nfs/dbraw/zinc/42/71/25/930427125.db2.gz ZQYHHYQALQUTBH-LBPRGKRZSA-N 1 0 289.335 1.730 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1cc(F)c(OC)cc1[N+](=O)[O-] ZINC001170863676 930506169 /nfs/dbraw/zinc/50/61/69/930506169.db2.gz CTYGHUMFZDMFGF-NSHDSACASA-N 1 0 273.264 1.212 20 5 CDBDRO CON(C)C(=O)CC[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000819191530 930769539 /nfs/dbraw/zinc/76/95/39/930769539.db2.gz RTJQIWNICHSIKZ-UHFFFAOYSA-N 1 0 281.312 1.137 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC001118204891 937602991 /nfs/dbraw/zinc/60/29/91/937602991.db2.gz QJCASDNPVIQRGM-ZJUUUORDSA-N 1 0 292.339 1.446 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001154977804 937615482 /nfs/dbraw/zinc/61/54/82/937615482.db2.gz OUWPDCLRPLXZEW-RKDXNWHRSA-N 1 0 294.311 1.458 20 5 CDBDRO Cc1noc(CN2CC[C@](O)(C3CC3)C2)c1[N+](=O)[O-] ZINC001118497404 937633566 /nfs/dbraw/zinc/63/35/66/937633566.db2.gz SOBHTCFHXFLHSV-GFCCVEGCSA-N 1 0 267.285 1.238 20 5 CDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001119067616 937693331 /nfs/dbraw/zinc/69/33/31/937693331.db2.gz LBMJBJNKYVVSLF-VIRWGQHYSA-N 1 0 295.726 1.472 20 5 CDBDRO CO[C@@H]1CCOC[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000934038475 933889091 /nfs/dbraw/zinc/88/90/91/933889091.db2.gz AUHUURLLFAKHBL-HZSPNIEDSA-N 1 0 296.323 1.022 20 5 CDBDRO C[C@@H](CC[NH+]1CCCC1)OC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC001123463196 936165350 /nfs/dbraw/zinc/16/53/50/936165350.db2.gz HCHNXEYAKZDKPN-NSHDSACASA-N 1 0 296.327 1.209 20 5 CDBDRO Nc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC001120798697 937836781 /nfs/dbraw/zinc/83/67/81/937836781.db2.gz OVCDUPLPSCRWKQ-SECBINFHSA-N 1 0 277.328 1.468 20 5 CDBDRO C[C@@H](Nc1cc(N)ccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001120959048 937850020 /nfs/dbraw/zinc/85/00/20/937850020.db2.gz FBZFNKQSLRNOPE-QMTHXVAHSA-N 1 0 293.371 1.223 20 5 CDBDRO CSCC[C@H]([NH3+])C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001122106548 937905641 /nfs/dbraw/zinc/90/56/41/937905641.db2.gz PXUPUPUJTWHDER-SKDRFNHKSA-N 1 0 297.380 1.852 20 5 CDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001122108645 937906082 /nfs/dbraw/zinc/90/60/82/937906082.db2.gz RRVRSYSWAJVVPJ-PCGAWMICSA-N 1 0 289.335 1.552 20 5 CDBDRO Cc1nc(Cl)nc(N(C)C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001156169882 938327418 /nfs/dbraw/zinc/32/74/18/938327418.db2.gz WLASBGOFGDYRHQ-UHFFFAOYSA-N 1 0 285.735 1.535 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[N@@H+](C)CC1(C)C ZINC001156591041 938390546 /nfs/dbraw/zinc/39/05/46/938390546.db2.gz RYGFWHZOXFEXCE-LBPRGKRZSA-N 1 0 291.351 1.973 20 5 CDBDRO [NH3+]Cc1cccn1-c1ncc(Cl)cc1[N+](=O)[O-] ZINC001156723865 938410838 /nfs/dbraw/zinc/41/08/38/938410838.db2.gz LGOAHSCAXRKCFP-UHFFFAOYSA-N 1 0 252.661 1.893 20 5 CDBDRO CCOc1nc(-n2cccc2C[NH3+])ccc1[N+](=O)[O-] ZINC001156730755 938411270 /nfs/dbraw/zinc/41/12/70/938411270.db2.gz IRZSCPSLGYIXJM-UHFFFAOYSA-N 1 0 262.269 1.638 20 5 CDBDRO Cc1ncc(C[NH3+])c(=N)n1-c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001156829026 938423290 /nfs/dbraw/zinc/42/32/90/938423290.db2.gz GWDMUHGCPXLZDQ-UHFFFAOYSA-N 1 0 294.702 1.075 20 5 CDBDRO COc1cc(N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001157266646 938472635 /nfs/dbraw/zinc/47/26/35/938472635.db2.gz VRSGURSMRGHPQM-CMPLNLGQSA-N 1 0 292.339 1.529 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCCN1c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001157731727 938537207 /nfs/dbraw/zinc/53/72/07/938537207.db2.gz FLFCACSMLZBDKQ-MWLCHTKSSA-N 1 0 287.323 1.854 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCCN1c1cc(Cl)ncc1[N+](=O)[O-] ZINC001157732242 938537222 /nfs/dbraw/zinc/53/72/22/938537222.db2.gz IQPBZRQUVQDYNA-HTQZYQBOSA-N 1 0 270.720 1.959 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1cnc2ccc(C[NH3+])cc21 ZINC001158008439 938574774 /nfs/dbraw/zinc/57/47/74/938574774.db2.gz DLLPSSXTNKVRBA-UHFFFAOYSA-N 1 0 299.290 1.334 20 5 CDBDRO C[C@@H]1CN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001158180759 938591938 /nfs/dbraw/zinc/59/19/38/938591938.db2.gz ZOXWVRZEBFGGPA-OCAPTIKFSA-N 1 0 286.719 1.068 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC4(C3)CCC[NH2+]C4)c21 ZINC001159025264 938692387 /nfs/dbraw/zinc/69/23/87/938692387.db2.gz QEFDQWSVVDGDDK-UHFFFAOYSA-N 1 0 299.334 1.728 20 5 CDBDRO COc1nc(NC[C@@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC001160146100 938771414 /nfs/dbraw/zinc/77/14/14/938771414.db2.gz ZZLHKSXUYPRWQX-VIFPVBQESA-N 1 0 266.301 1.552 20 5 CDBDRO [NH3+]C/C=C/CNc1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001160982024 938853419 /nfs/dbraw/zinc/85/34/19/938853419.db2.gz ALYFYTAFDACTFB-OWOJBTEDSA-N 1 0 285.307 1.979 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@]2(C)CCC[N@H+](C)C2)n1 ZINC001162341179 939030720 /nfs/dbraw/zinc/03/07/20/939030720.db2.gz JOULPQZECDGZBT-CYBMUJFWSA-N 1 0 295.343 1.598 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1ccc([N+](=O)[O-])c2c1CCN(C)C2 ZINC001162676497 939112339 /nfs/dbraw/zinc/11/23/39/939112339.db2.gz QPGXCNFDKHTOOR-ZWNOBZJWSA-N 1 0 290.367 1.745 20 5 CDBDRO CCOc1nc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)ccc1[N+](=O)[O-] ZINC001162797370 939144538 /nfs/dbraw/zinc/14/45/38/939144538.db2.gz MHPVIKWUJRPSPM-HBNTYKKESA-N 1 0 290.323 1.574 20 5 CDBDRO [NH3+][C@H]1COC[C@H]1Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001162921133 939161697 /nfs/dbraw/zinc/16/16/97/939161697.db2.gz LDQVJLMZOHSXFZ-JGVFFNPUSA-N 1 0 292.217 1.147 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ncnc1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001162977868 939168016 /nfs/dbraw/zinc/16/80/16/939168016.db2.gz JZJSDHIPVZOPCN-WRWORJQWSA-N 1 0 283.719 1.735 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC001163254072 939233603 /nfs/dbraw/zinc/23/36/03/939233603.db2.gz KNMWJIRVICDXNJ-UTLUCORTSA-N 1 0 278.312 1.408 20 5 CDBDRO C[NH2+]CCN(C)c1nc(Cl)nc(SC)c1[N+](=O)[O-] ZINC001163721189 939314763 /nfs/dbraw/zinc/31/47/63/939314763.db2.gz UESWBCIIABASBM-UHFFFAOYSA-N 1 0 291.764 1.416 20 5 CDBDRO C[C@@H]1CC[C@H](C[NH3+])N(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC001164066849 939403784 /nfs/dbraw/zinc/40/37/84/939403784.db2.gz APYIDPGZLSHROS-PSASIEDQSA-N 1 0 268.292 1.693 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N(CCC[NH3+])C(C)C)n1 ZINC001164122813 939413800 /nfs/dbraw/zinc/41/38/00/939413800.db2.gz PVLWDKVSKXPOAT-UHFFFAOYSA-N 1 0 252.318 1.862 20 5 CDBDRO C[NH+](C)C1(C)CN(c2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001165117202 939511854 /nfs/dbraw/zinc/51/18/54/939511854.db2.gz BTXIBUHFHPVFDL-UHFFFAOYSA-N 1 0 287.323 1.678 20 5 CDBDRO CN(CC[NH+]1CCCC1)c1cc(N)c([N+](=O)[O-])cn1 ZINC001165140950 939516738 /nfs/dbraw/zinc/51/67/38/939516738.db2.gz QXLQDXXSNNLENJ-UHFFFAOYSA-N 1 0 265.317 1.104 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(-n3ncc4c3CC[NH2+]C4)c2c1 ZINC001165218674 939526398 /nfs/dbraw/zinc/52/63/98/939526398.db2.gz INZQRVIBQJZBAU-UHFFFAOYSA-N 1 0 296.290 1.369 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(-n3ncc4c3CC[NH2+]C4)c21 ZINC001165223639 939527688 /nfs/dbraw/zinc/52/76/88/939527688.db2.gz PZYJVHKRVQNYKO-UHFFFAOYSA-N 1 0 296.290 1.369 20 5 CDBDRO COc1cc(N2CC[C@@]3(C2)CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001165236112 939530525 /nfs/dbraw/zinc/53/05/25/939530525.db2.gz FMESLUZEYGTHFU-AWEZNQCLSA-N 1 0 292.339 1.578 20 5 CDBDRO C[N@@H+]1CCC[C@H](CCNc2c[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001165278951 939539680 /nfs/dbraw/zinc/53/96/80/939539680.db2.gz OEOYZDNPLIFFRV-LLVKDONJSA-N 1 0 280.328 1.372 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cc(N2CCC[C@@H]3[NH2+]C[C@H]32)n1 ZINC001165392420 939557390 /nfs/dbraw/zinc/55/73/90/939557390.db2.gz POBJVGSCIQSNQK-DTWKUNHWSA-N 1 0 268.704 1.584 20 5 CDBDRO [NH3+]C1([C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@H]2CF)CC1 ZINC001165432104 939564228 /nfs/dbraw/zinc/56/42/28/939564228.db2.gz SYLKACNCODROIA-PSASIEDQSA-N 1 0 298.293 1.642 20 5 CDBDRO Cc1ccc(O[C@@H]2CNCC2(F)F)c([N+](=O)[O-])c1 ZINC001218241113 941048853 /nfs/dbraw/zinc/04/88/53/941048853.db2.gz WRFQWVMISFSMNQ-SNVBAGLBSA-N 1 0 258.224 1.889 20 5 CDBDRO COC(=O)c1csc(CO[C@@H](C)C[N+](C)(C)C)n1 ZINC001223011587 941649038 /nfs/dbraw/zinc/64/90/38/941649038.db2.gz BBXBVALJMGZNQA-VIFPVBQESA-N 1 0 273.378 1.541 20 5 CDBDRO COC(=O)c1cncc(CO[C@@H](C)C[N+](C)(C)C)c1 ZINC001223491643 941682047 /nfs/dbraw/zinc/68/20/47/941682047.db2.gz HDPIPFDKLIDOAR-NSHDSACASA-N 1 0 267.349 1.480 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C)OCC1CC[NH+](C)CC1 ZINC001224455762 941756505 /nfs/dbraw/zinc/75/65/05/941756505.db2.gz VWAKFEPMNDMNHK-NSHDSACASA-N 1 0 296.371 1.847 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OC/C=C/c1ccccc1 ZINC001224681311 941782553 /nfs/dbraw/zinc/78/25/53/941782553.db2.gz FHABZMWCHSKQCH-JOZWUWCOSA-N 1 0 278.372 1.700 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCc1cccs1 ZINC001224782230 941791142 /nfs/dbraw/zinc/79/11/42/941791142.db2.gz AZNBEIRHVGRDBZ-LLVKDONJSA-N 1 0 272.390 1.291 20 5 CDBDRO C[NH+]1CCC(Oc2[nH]ccc(=O)c2[N+](=O)[O-])CC1 ZINC001225663027 941896254 /nfs/dbraw/zinc/89/62/54/941896254.db2.gz XGVAPKNDJZXQPG-UHFFFAOYSA-N 1 0 253.258 1.168 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cnccc1NC(=O)C(C)(C)C ZINC001226096123 941950298 /nfs/dbraw/zinc/95/02/98/941950298.db2.gz JXQACRNTUQQQDK-GFCCVEGCSA-O 1 0 294.419 1.962 20 5 CDBDRO COC(=O)c1cncc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001226319617 941985147 /nfs/dbraw/zinc/98/51/47/941985147.db2.gz HAXJFCQFLFDTTC-JTQLQIEISA-N 1 0 253.322 1.342 20 5 CDBDRO COC(=O)c1cccc([N+](=O)[O-])c1O[C@H](C)C[NH+](C)C ZINC001227121882 942136231 /nfs/dbraw/zinc/13/62/31/942136231.db2.gz GYNNIDDNESEFKB-SECBINFHSA-N 1 0 282.296 1.710 20 5 CDBDRO Cc1nc(Cl)nc(O[C@H](C)C[N+](C)(C)C)c1[N+](=O)[O-] ZINC001227340957 942167971 /nfs/dbraw/zinc/16/79/71/942167971.db2.gz SBBMMULKIXIVGF-SSDOTTSWSA-N 1 0 289.743 1.820 20 5 CDBDRO CCOC(=O)c1cc(O)c(O[C@@H](C)C[N+](C)(C)C)c(O)c1 ZINC001227395552 942172493 /nfs/dbraw/zinc/17/24/93/942172493.db2.gz PSRKMHFNDVDGJZ-JTQLQIEISA-O 1 0 298.359 1.748 20 5 CDBDRO Cc1cc(O)ccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227451646 942178228 /nfs/dbraw/zinc/17/82/28/942178228.db2.gz JUBOXYJRWUDRNI-GFCCVEGCSA-O 1 0 268.333 1.063 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ncc([N+](=O)[O-])c2nc[nH]c21 ZINC001227690464 942204762 /nfs/dbraw/zinc/20/47/62/942204762.db2.gz HHQPPCNAVPKFMB-MRVPVSSYSA-N 1 0 280.308 1.340 20 5 CDBDRO COC(=O)c1cccc(O[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC001227894814 942240993 /nfs/dbraw/zinc/24/09/93/942240993.db2.gz QCKSVQOVGREBTG-SECBINFHSA-N 1 0 282.296 1.710 20 5 CDBDRO COC(=O)c1cccc(O[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001227894238 942241306 /nfs/dbraw/zinc/24/13/06/942241306.db2.gz LQJOEPNKHIMKDL-JTQLQIEISA-N 1 0 294.307 1.854 20 5 CDBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cnccc1[N+](=O)[O-])C2 ZINC001228879499 942387629 /nfs/dbraw/zinc/38/76/29/942387629.db2.gz HEOXTBBMSOBHNC-URLYPYJESA-N 1 0 263.297 1.994 20 5 CDBDRO Cc1nc2nc[nH]c2c(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001229438879 942473569 /nfs/dbraw/zinc/47/35/69/942473569.db2.gz YSEHJLFBQVGIFH-QMMMGPOBSA-N 1 0 250.326 1.135 20 5 CDBDRO COC(=O)c1c(C)cc(O)cc1O[C@H](C)C[N+](C)(C)C ZINC001230875600 942719674 /nfs/dbraw/zinc/71/96/74/942719674.db2.gz WYNJGZCZLNSHHV-LLVKDONJSA-O 1 0 282.360 1.961 20 5 CDBDRO [NH3+]C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001263235052 943797176 /nfs/dbraw/zinc/79/71/76/943797176.db2.gz WCBBJXBAFOZSIN-UHFFFAOYSA-N 1 0 283.715 1.398 20 5 CDBDRO Cc1nccc([N+](=O)[O-])c1O[C@@H]1CCc2nccn2C1 ZINC001234905519 943970468 /nfs/dbraw/zinc/97/04/68/943970468.db2.gz PIMATWWZZNIUEJ-SNVBAGLBSA-N 1 0 274.280 1.889 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCCF ZINC001262566368 946717478 /nfs/dbraw/zinc/71/74/78/946717478.db2.gz OCGBWUWUEYDGTH-SNVBAGLBSA-N 1 0 272.276 1.284 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(C)OCCO1 ZINC001254538122 947516362 /nfs/dbraw/zinc/51/63/62/947516362.db2.gz PEGDADPLWPSGFK-NSHDSACASA-N 1 0 280.324 1.878 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CC[C@@H](O)C1 ZINC001254540431 947519078 /nfs/dbraw/zinc/51/90/78/947519078.db2.gz TVKMBGWTNGHDFK-TZMCWYRMSA-N 1 0 293.367 1.182 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)C2 ZINC001254565197 947527975 /nfs/dbraw/zinc/52/79/75/947527975.db2.gz CFGBXAZYVKSYRL-UMVBOHGHSA-N 1 0 276.336 1.955 20 5 CDBDRO O=C1C[C@H](C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1 ZINC001254569522 947530810 /nfs/dbraw/zinc/53/08/10/947530810.db2.gz ZAOBLDGGQVIXGV-ZWNOBZJWSA-N 1 0 289.335 1.178 20 5 CDBDRO O=C1CC[C@H](C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CN1 ZINC001254574719 947532178 /nfs/dbraw/zinc/53/21/78/947532178.db2.gz KNIYNXYBSWDTQR-MFKMUULPSA-N 1 0 289.335 1.178 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)C2 ZINC001254574185 947532429 /nfs/dbraw/zinc/53/24/29/947532429.db2.gz GQDZPPFKTMBNFE-GAJTVXKRSA-N 1 0 262.309 1.423 20 5 CDBDRO COCC(COC)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254576612 947536150 /nfs/dbraw/zinc/53/61/50/947536150.db2.gz YVDHCDTXDLSBCW-GFCCVEGCSA-N 1 0 280.324 1.313 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cccnn1)C2 ZINC001254580274 947538720 /nfs/dbraw/zinc/53/87/20/947538720.db2.gz BWFHRDMDECGLRM-CYBMUJFWSA-N 1 0 270.292 1.642 20 5 CDBDRO CC1(C)C(=O)NC[C@@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254589571 947543226 /nfs/dbraw/zinc/54/32/26/947543226.db2.gz PEPOKDOOPBAJEA-AAEUAGOBSA-N 1 0 289.335 1.176 20 5 CDBDRO N=c1ncc(C[NH3+])cn1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254586723 947543607 /nfs/dbraw/zinc/54/36/07/947543607.db2.gz RVRMMNZCSAQFRH-CYBMUJFWSA-N 1 0 285.307 1.069 20 5 CDBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329281634 955795670 /nfs/dbraw/zinc/79/56/70/955795670.db2.gz HHMITKPVEGTUOW-KGLIPLIRSA-N 1 0 289.335 1.825 20 5 CDBDRO Cn1cc([N+](=O)[O-])c(N2CCC3(CC2)CC[NH+](C)CC3)n1 ZINC001307182357 956375651 /nfs/dbraw/zinc/37/56/51/956375651.db2.gz MBEZLTLKHWCACB-UHFFFAOYSA-N 1 0 293.371 1.641 20 5 CDBDRO CC(C)[C@H](CO)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001308988618 956615476 /nfs/dbraw/zinc/61/54/76/956615476.db2.gz RMMYSELVDUNPOC-CBINBANVSA-N 1 0 268.317 1.101 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001318102623 957919737 /nfs/dbraw/zinc/91/97/37/957919737.db2.gz GHNTYHHOUQZILV-SNVBAGLBSA-N 1 0 278.312 1.233 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001318672730 958223892 /nfs/dbraw/zinc/22/38/92/958223892.db2.gz VAPQVVGZUILOQE-RYUDHWBXSA-N 1 0 294.355 1.536 20 5 CDBDRO C[NH+](C)C1CN(c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC001320377276 959132762 /nfs/dbraw/zinc/13/27/62/959132762.db2.gz VUBXWYJAOPDPRV-UHFFFAOYSA-N 1 0 278.337 1.955 20 5 CDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC001335362164 959744405 /nfs/dbraw/zinc/74/44/05/959744405.db2.gz XEJZGFACPIGFBM-VIFPVBQESA-N 1 0 263.297 1.499 20 5 CDBDRO CC(C)[C@](C)(O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335421779 959791840 /nfs/dbraw/zinc/79/18/40/959791840.db2.gz MDSRTRRXUIQYHG-UONOGXRCSA-N 1 0 282.340 1.625 20 5 CDBDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CO1 ZINC001335969387 960128017 /nfs/dbraw/zinc/12/80/17/960128017.db2.gz SVRPVFGDKZNVHJ-MDZLAQPJSA-N 1 0 296.323 1.102 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001337067293 960909342 /nfs/dbraw/zinc/90/93/42/960909342.db2.gz XGEPMHKAYBSPSC-NXEZZACHSA-N 1 0 279.344 1.857 20 5 CDBDRO Nc1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)ncc1[N+](=O)[O-] ZINC001337787857 961421095 /nfs/dbraw/zinc/42/10/95/961421095.db2.gz KKAHMOVGHZKEQC-SNVBAGLBSA-N 1 0 275.312 1.023 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001339548103 962414861 /nfs/dbraw/zinc/41/48/61/962414861.db2.gz UORJZLXAPDTGIU-SECBINFHSA-N 1 0 267.333 1.714 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341664757 963503878 /nfs/dbraw/zinc/50/38/78/963503878.db2.gz FOZGBGCWZUEJHN-SWHYSGLUSA-N 1 0 291.351 1.813 20 5 CDBDRO Cc1cc(NC(=O)[C@@H]([NH3+])C2CCC2)cc([N+](=O)[O-])c1 ZINC001342243955 963684617 /nfs/dbraw/zinc/68/46/17/963684617.db2.gz XUSAIZHNLJCSCG-LBPRGKRZSA-N 1 0 263.297 1.969 20 5 CDBDRO Cc1c(CC(=O)NCC2([NH3+])CC2)cccc1[N+](=O)[O-] ZINC001342815907 963832465 /nfs/dbraw/zinc/83/24/65/963832465.db2.gz VHJYTUDERCHUJL-UHFFFAOYSA-N 1 0 263.297 1.053 20 5 CDBDRO C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001345329356 964670284 /nfs/dbraw/zinc/67/02/84/964670284.db2.gz XVWLBZRQXNMCDW-GXSJLCMTSA-N 1 0 263.297 1.176 20 5 CDBDRO C[NH+](C)C[C@H](NCC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001346226932 964997330 /nfs/dbraw/zinc/99/73/30/964997330.db2.gz YPHFELJUMRXQQP-LBPRGKRZSA-N 1 0 271.748 1.809 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1CC[NH2+][C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001358144254 969701347 /nfs/dbraw/zinc/70/13/47/969701347.db2.gz ZWEPHQWLDZINGI-OUJBWJOFSA-N 1 0 277.324 1.770 20 5 CDBDRO C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC001358141925 969701444 /nfs/dbraw/zinc/70/14/44/969701444.db2.gz HOVOVDJURIBDRM-IEBDPFPHSA-N 1 0 263.297 1.509 20 5 CDBDRO C[C@@](N)(C(=O)N1C[C@@H](F)[C@@H](F)C1)c1cccc([N+](=O)[O-])c1 ZINC001358429779 969735891 /nfs/dbraw/zinc/73/58/91/969735891.db2.gz ZBVUHQPOWMDGOO-LOWVWBTDSA-N 1 0 299.277 1.287 20 5 CDBDRO Cc1cc(COC(=O)CCC[NH3+])ccc1[N+](=O)[O-] ZINC001574135440 1170893432 /nfs/dbraw/zinc/89/34/32/1170893432.db2.gz TZMNMRSZJPMEID-UHFFFAOYSA-N 1 0 252.270 1.685 20 5 CDBDRO CC(C)(CF)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001575307983 1171148796 /nfs/dbraw/zinc/14/87/96/1171148796.db2.gz XRCRCFMBCPZHAH-CYBMUJFWSA-N 1 0 283.303 1.633 20 5 CDBDRO C[C@H]([NH3+])CONC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001576159514 1171344190 /nfs/dbraw/zinc/34/41/90/1171344190.db2.gz QUQYHCCSYZDTEP-KPXOXKRLSA-N 1 0 279.296 1.093 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])nc3)C[C@@H]2C1 ZINC000601184701 342489295 /nfs/dbraw/zinc/48/92/95/342489295.db2.gz MECWFQKFYGARPP-MNOVXSKESA-N 1 0 262.313 1.378 20 5 CDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1c([N+](=O)[O-])ncn1C ZINC000588085491 342492345 /nfs/dbraw/zinc/49/23/45/342492345.db2.gz LFPQBBJQDIMNKL-QWRGUYRKSA-N 1 0 279.344 1.391 20 5 CDBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000601150943 342482505 /nfs/dbraw/zinc/48/25/05/342482505.db2.gz JJFKWFJUYHQEFA-OIBJUYFYSA-N 1 0 278.230 1.996 20 5 CDBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F ZINC000601151364 342482607 /nfs/dbraw/zinc/48/26/07/342482607.db2.gz XULFXWLCTPNEOY-OIBJUYFYSA-N 1 0 278.230 1.996 20 5 CDBDRO CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000124425193 187137054 /nfs/dbraw/zinc/13/70/54/187137054.db2.gz YDPRTOAJBUAQDI-NSHDSACASA-N 1 0 251.286 1.874 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000269119996 190469345 /nfs/dbraw/zinc/46/93/45/190469345.db2.gz JBLISOJCRZCQDR-LLVKDONJSA-N 1 0 292.339 1.217 20 5 CDBDRO Cc1cnc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000589879181 342516069 /nfs/dbraw/zinc/51/60/69/342516069.db2.gz DMEVRYDVVKWKKX-CQSZACIVSA-N 1 0 276.340 1.830 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000074772812 341998980 /nfs/dbraw/zinc/99/89/80/341998980.db2.gz YDNCVFVGSBGARA-LBPRGKRZSA-N 1 0 293.371 1.496 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CCC([NH2+]CCO)CC2)c(F)c1 ZINC000601328804 342554427 /nfs/dbraw/zinc/55/44/27/342554427.db2.gz ZSOGPPIMTHSPOE-UHFFFAOYSA-N 1 0 297.330 1.280 20 5 CDBDRO COC(=O)c1cc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000564989804 365562681 /nfs/dbraw/zinc/56/26/81/365562681.db2.gz FDKLKUBIKWDNSX-OTSSQURYSA-N 1 0 293.279 1.057 20 5 CDBDRO C[N@H+](CCc1c[nH]nn1)Cc1ccccc1[N+](=O)[O-] ZINC000590602684 342577942 /nfs/dbraw/zinc/57/79/42/342577942.db2.gz NEZOOLNDKQGWTN-UHFFFAOYSA-N 1 0 261.285 1.387 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000237495346 342060438 /nfs/dbraw/zinc/06/04/38/342060438.db2.gz HNMIRPFJOCCJLS-QWRGUYRKSA-N 1 0 293.323 1.312 20 5 CDBDRO Cc1nn(C)c(NCC(C)(C)N2CCOCC2)c1[N+](=O)[O-] ZINC000047331001 342098208 /nfs/dbraw/zinc/09/82/08/342098208.db2.gz FTARUESASJCGOV-UHFFFAOYSA-N 1 0 297.359 1.159 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1N1CC[C@@H]3CC[NH2+][C@H]3C1)CCN2 ZINC000591436914 342631736 /nfs/dbraw/zinc/63/17/36/342631736.db2.gz COSGHAIFIFLIIP-GWCFXTLKSA-N 1 0 288.351 1.751 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[NH3+] ZINC000591271680 342623664 /nfs/dbraw/zinc/62/36/64/342623664.db2.gz PZWUVLVSGCYZSU-MRVPVSSYSA-N 1 0 252.274 1.372 20 5 CDBDRO Cc1cc(NC(=O)NC[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000591296699 342624430 /nfs/dbraw/zinc/62/44/30/342624430.db2.gz RACZYUKGYWPNTL-QMMMGPOBSA-N 1 0 252.274 1.372 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000591442854 342632549 /nfs/dbraw/zinc/63/25/49/342632549.db2.gz AZCOPBFQJPNZSG-SNVBAGLBSA-N 1 0 282.369 1.877 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1C[NH2+]CCC1(F)F ZINC000591668551 342641090 /nfs/dbraw/zinc/64/10/90/342641090.db2.gz FDWACSTUQNUFCN-NSHDSACASA-N 1 0 299.277 1.456 20 5 CDBDRO COc1cccc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)c1[N+](=O)[O-] ZINC000591686644 342643253 /nfs/dbraw/zinc/64/32/53/342643253.db2.gz CYJXDNKKMCGZPE-LLVKDONJSA-N 1 0 293.323 1.474 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592475255 342698916 /nfs/dbraw/zinc/69/89/16/342698916.db2.gz FRYNSPYUUYWZNA-BXUZGUMPSA-N 1 0 295.339 1.022 20 5 CDBDRO CC(C)([NH3+])CCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000592558161 342709627 /nfs/dbraw/zinc/70/96/27/342709627.db2.gz IWTMNMZDOUDURK-UHFFFAOYSA-N 1 0 291.311 1.927 20 5 CDBDRO C[C@]1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCC(=O)N1 ZINC000453594130 252328224 /nfs/dbraw/zinc/32/82/24/252328224.db2.gz WOYLXDPTJIEPKU-ZDTYVGOBSA-N 1 0 289.335 1.866 20 5 CDBDRO C[C@@H](NC(=O)[C@@H](N)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000593902428 342853594 /nfs/dbraw/zinc/85/35/94/342853594.db2.gz SWINMJKILKDOAC-MFKMUULPSA-N 1 0 294.355 1.051 20 5 CDBDRO C[NH+](C)CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000600891001 342254772 /nfs/dbraw/zinc/25/47/72/342254772.db2.gz QXJBUUPWMUEMAH-UHFFFAOYSA-N 1 0 255.249 1.025 20 5 CDBDRO O=[N+]([O-])c1cc2c(ncnc2N2C[C@@H]3C[C@H]2C[NH2+]3)s1 ZINC000600961194 342288454 /nfs/dbraw/zinc/28/84/54/342288454.db2.gz JUPWAGQCYBMBSU-BQBZGAKWSA-N 1 0 277.309 1.150 20 5 CDBDRO Cc1noc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1[N+](=O)[O-] ZINC000595513715 343082662 /nfs/dbraw/zinc/08/26/62/343082662.db2.gz ZXNCMUYOMSTRHX-ZWKOPEQDSA-N 1 0 293.323 1.938 20 5 CDBDRO C[C@]1(C(N)=O)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000235743401 362075787 /nfs/dbraw/zinc/07/57/87/362075787.db2.gz ARVKNBSGWAWQJG-ZDUSSCGKSA-N 1 0 297.742 1.946 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(O)(CO)CC1 ZINC000595736507 343135607 /nfs/dbraw/zinc/13/56/07/343135607.db2.gz MDKBHKAXXOGQOE-LLVKDONJSA-N 1 0 280.324 1.475 20 5 CDBDRO COC1CC[NH+](CCNc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000080250369 342351248 /nfs/dbraw/zinc/35/12/48/342351248.db2.gz NVXCYFCAAMAACG-UHFFFAOYSA-N 1 0 294.355 1.821 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000126469312 187242402 /nfs/dbraw/zinc/24/24/02/187242402.db2.gz QPYVZLOJOWFPFI-ZWNOBZJWSA-N 1 0 277.324 1.599 20 5 CDBDRO COc1cc(C(=O)N(C)CC(C)(C)[NH3+])cc([N+](=O)[O-])c1C ZINC000595934580 343185768 /nfs/dbraw/zinc/18/57/68/343185768.db2.gz OYBQQGXMSNBKRZ-UHFFFAOYSA-N 1 0 295.339 1.721 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000595987458 343212230 /nfs/dbraw/zinc/21/22/30/343212230.db2.gz WOSBHRRJYVLGQT-CQSZACIVSA-N 1 0 277.324 1.693 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCN1CCC(O)CC1 ZINC000294984183 199284344 /nfs/dbraw/zinc/28/43/44/199284344.db2.gz YMHKEGDWMURCDL-UHFFFAOYSA-N 1 0 279.340 1.141 20 5 CDBDRO C[NH2+]C[C@@H](C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000596031783 343217293 /nfs/dbraw/zinc/21/72/93/343217293.db2.gz GACBDXFYYSYBAB-SECBINFHSA-N 1 0 260.297 1.585 20 5 CDBDRO C[C@@H]1CCCN(c2ccc(N)c([N+](=O)[O-])n2)[C@@H]1CCC[NH3+] ZINC000596014415 343218859 /nfs/dbraw/zinc/21/88/59/343218859.db2.gz PJNVPDDCXRYGAT-ZYHUDNBSSA-N 1 0 293.371 1.916 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000595924003 343192569 /nfs/dbraw/zinc/19/25/69/343192569.db2.gz FADOQPAZKHOZLJ-LLVKDONJSA-N 1 0 251.286 1.209 20 5 CDBDRO Cc1ccc(NC(=O)[C@H]2CCO[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000595925039 343193145 /nfs/dbraw/zinc/19/31/45/343193145.db2.gz TYWVNKARMLITFU-CMPLNLGQSA-N 1 0 279.296 1.206 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@H](C)C[NH2+]C ZINC000596105308 343228367 /nfs/dbraw/zinc/22/83/67/343228367.db2.gz JXBVMPFAYUQLFC-SNVBAGLBSA-N 1 0 267.329 1.691 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596093140 343234525 /nfs/dbraw/zinc/23/45/25/343234525.db2.gz SJGLFWYMXYMDHZ-SNVBAGLBSA-N 1 0 280.328 1.838 20 5 CDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc(N)c([N+](=O)[O-])n1 ZINC000596231943 343261738 /nfs/dbraw/zinc/26/17/38/343261738.db2.gz NDDKSPMMPXNFGL-WDEREUQCSA-N 1 0 291.355 1.635 20 5 CDBDRO CC[NH+](CC)CCOCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596196998 343262811 /nfs/dbraw/zinc/26/28/11/343262811.db2.gz ZYMRXGOTMIRBLN-UHFFFAOYSA-N 1 0 298.343 1.466 20 5 CDBDRO Cc1cc(N2CCN(CCO)C(C)(C)C2)c([N+](=O)[O-])s1 ZINC000596220989 343270573 /nfs/dbraw/zinc/27/05/73/343270573.db2.gz GHRCNOFMNAIJFJ-UHFFFAOYSA-N 1 0 299.396 1.858 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596571736 343352707 /nfs/dbraw/zinc/35/27/07/343352707.db2.gz ZKWXFHKSXHSBHH-GFCCVEGCSA-N 1 0 293.371 1.862 20 5 CDBDRO Cc1cc(N2CCC([NH3+])(CO)CC2)ccc1[N+](=O)[O-] ZINC000092654479 342416164 /nfs/dbraw/zinc/41/61/64/342416164.db2.gz RSNFTNPXXCHRTK-UHFFFAOYSA-N 1 0 265.313 1.193 20 5 CDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000598666873 343862151 /nfs/dbraw/zinc/86/21/51/343862151.db2.gz AOUIZQIZFGSRPX-RISCZKNCSA-N 1 0 275.308 1.548 20 5 CDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1ccc(F)cc1[N+](=O)[O-])C2 ZINC000598670297 343872481 /nfs/dbraw/zinc/87/24/81/343872481.db2.gz UCHHNLQGJXYVFA-LKFCYVNXSA-N 1 0 293.298 1.687 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915466 343919495 /nfs/dbraw/zinc/91/94/95/343919495.db2.gz MJEPCFWTKAMJFS-SSDOTTSWSA-N 1 0 286.719 1.965 20 5 CDBDRO CC[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000599085027 343951109 /nfs/dbraw/zinc/95/11/09/343951109.db2.gz JJILAKJWWLUDRV-CABCVRRESA-N 1 0 293.367 1.702 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000599530913 344076301 /nfs/dbraw/zinc/07/63/01/344076301.db2.gz CMFITBVRBLAGKG-WOPDTQHZSA-N 1 0 280.324 1.188 20 5 CDBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@H]1[NH+](C)C ZINC000270411798 190675546 /nfs/dbraw/zinc/67/55/46/190675546.db2.gz XPJHRHLQVXKTGG-MNOVXSKESA-N 1 0 282.369 1.472 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c(F)c1 ZINC000601976928 344305658 /nfs/dbraw/zinc/30/56/58/344305658.db2.gz QKFKPIVYXGQQNR-PHIMTYICSA-N 1 0 266.272 1.812 20 5 CDBDRO C[NH2+]CCCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602424789 344421227 /nfs/dbraw/zinc/42/12/27/344421227.db2.gz LXFDPIZAWXMHDY-UHFFFAOYSA-N 1 0 255.249 1.073 20 5 CDBDRO CN(CC(C)(C)C[NH3+])C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602431837 344424389 /nfs/dbraw/zinc/42/43/89/344424389.db2.gz DYVFDPCQXBRJEG-UHFFFAOYSA-N 1 0 283.303 1.791 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602488771 344450338 /nfs/dbraw/zinc/45/03/38/344450338.db2.gz ZUZSMTOPRUCWAE-IUCAKERBSA-N 1 0 281.287 1.734 20 5 CDBDRO CCn1ncnc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000602557585 344467310 /nfs/dbraw/zinc/46/73/10/344467310.db2.gz LLMQMCNTINWWNE-UHFFFAOYSA-N 1 0 275.312 1.539 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2(CO)CCOCC2)cc1 ZINC000602581724 344475945 /nfs/dbraw/zinc/47/59/45/344475945.db2.gz KRVJWVIUOFUYFZ-UHFFFAOYSA-N 1 0 294.351 1.516 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]CCC2CCOCC2)c1 ZINC000602567984 344484103 /nfs/dbraw/zinc/48/41/03/344484103.db2.gz HKZCEJNXYNZAEG-UHFFFAOYSA-N 1 0 268.317 1.198 20 5 CDBDRO C[C@H]1[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343516068 362491432 /nfs/dbraw/zinc/49/14/32/362491432.db2.gz KNIUTDNPKHPKBK-WCQYABFASA-N 1 0 291.351 1.736 20 5 CDBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602813418 344604874 /nfs/dbraw/zinc/60/48/74/344604874.db2.gz XKJCQOVQUWCISW-ZJUUUORDSA-N 1 0 298.343 1.277 20 5 CDBDRO C[NH2+][C@@H](C)c1cn(Cc2c(F)cc([N+](=O)[O-])cc2F)nn1 ZINC000603249600 344751599 /nfs/dbraw/zinc/75/15/99/344751599.db2.gz ZPEXFGMDRCXVQI-ZETCQYMHSA-N 1 0 297.265 1.793 20 5 CDBDRO COc1ccc(CN2CCO[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000128574620 344684202 /nfs/dbraw/zinc/68/42/02/344684202.db2.gz ZWQFJAJNGWSVBO-HZMBPMFUSA-N 1 0 295.339 1.151 20 5 CDBDRO Cc1cnc(NC[C@H]2CSCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000603420389 344799965 /nfs/dbraw/zinc/79/99/65/344799965.db2.gz UHHVUKGMIGAZNK-VIFPVBQESA-N 1 0 268.342 1.415 20 5 CDBDRO CC[NH+]1CCC(CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000604546774 344901680 /nfs/dbraw/zinc/90/16/80/344901680.db2.gz BDRSBSFDJHEYDO-UHFFFAOYSA-N 1 0 295.343 1.088 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000537610118 282374355 /nfs/dbraw/zinc/37/43/55/282374355.db2.gz DPTUMYVCPHMXLB-MFKMUULPSA-N 1 0 292.339 1.100 20 5 CDBDRO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000159802727 362529242 /nfs/dbraw/zinc/52/92/42/362529242.db2.gz XMCKDMIRDRNFDO-CYBMUJFWSA-N 1 0 277.324 1.333 20 5 CDBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000344284339 362562342 /nfs/dbraw/zinc/56/23/42/362562342.db2.gz CNXBYRZMSTWOIM-ZMLRMANQSA-N 1 0 282.344 1.440 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000537944268 282391222 /nfs/dbraw/zinc/39/12/22/282391222.db2.gz UUQHAWNOYFWCSC-NXEZZACHSA-N 1 0 286.353 1.679 20 5 CDBDRO C[C@H](O)CC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000072712798 345355503 /nfs/dbraw/zinc/35/55/03/345355503.db2.gz OXRGEBCPMXDMSP-NSHDSACASA-N 1 0 295.339 1.626 20 5 CDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000609833559 346004834 /nfs/dbraw/zinc/00/48/34/346004834.db2.gz NBVPDPPUSPNUSY-JTQLQIEISA-N 1 0 281.312 1.792 20 5 CDBDRO CN(C(=O)C[N@H+](C)C(C)(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000609894940 346037276 /nfs/dbraw/zinc/03/72/76/346037276.db2.gz QRAGLMAYLWKLIF-UHFFFAOYSA-N 1 0 295.339 1.260 20 5 CDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)C1CC[NH+](C)CC1 ZINC000610773165 346404270 /nfs/dbraw/zinc/40/42/70/346404270.db2.gz TYJMRPZHHCJHFU-JTQLQIEISA-N 1 0 292.339 1.450 20 5 CDBDRO C[NH+](C)CCCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000611151902 346622471 /nfs/dbraw/zinc/62/24/71/346622471.db2.gz ALKMWYGSGOWLQE-UHFFFAOYSA-N 1 0 294.355 1.388 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccco1 ZINC000611442700 346788160 /nfs/dbraw/zinc/78/81/60/346788160.db2.gz HPWILCHTORWUND-UHFFFAOYSA-N 1 0 264.285 1.825 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C[NH2+]1 ZINC000086468168 179298701 /nfs/dbraw/zinc/29/87/01/179298701.db2.gz MIMCCLWJKDYJST-IUCAKERBSA-N 1 0 281.287 1.556 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@H](n2cncn2)C1 ZINC000614420516 348106827 /nfs/dbraw/zinc/10/68/27/348106827.db2.gz XXNVDNREJFAIHS-JTQLQIEISA-N 1 0 291.286 1.772 20 5 CDBDRO CC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000020448593 348532808 /nfs/dbraw/zinc/53/28/08/348532808.db2.gz IVOGDGYCXJIQRW-UHFFFAOYSA-N 1 0 267.285 1.402 20 5 CDBDRO COc1ccc(CC(=O)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000067906123 349041087 /nfs/dbraw/zinc/04/10/87/349041087.db2.gz LVVGDRSMIOWUSI-JTQLQIEISA-N 1 0 295.339 1.212 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[NH+](C)C ZINC000067161963 349015483 /nfs/dbraw/zinc/01/54/83/349015483.db2.gz HNQHMWWTAJXKOI-JTQLQIEISA-N 1 0 265.313 1.583 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000067547508 349028672 /nfs/dbraw/zinc/02/86/72/349028672.db2.gz JUFCROTWKCTPQF-VIFPVBQESA-N 1 0 281.312 1.283 20 5 CDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1CC1 ZINC000090548926 180001529 /nfs/dbraw/zinc/00/15/29/180001529.db2.gz DAFFSBHRIRPEGL-UHFFFAOYSA-N 1 0 265.313 1.488 20 5 CDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CC(O)C1 ZINC000091490858 180169962 /nfs/dbraw/zinc/16/99/62/180169962.db2.gz CABVSYVRMWVKND-UHFFFAOYSA-N 1 0 264.325 1.840 20 5 CDBDRO O=C1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCCN1 ZINC000111826650 350500302 /nfs/dbraw/zinc/50/03/02/350500302.db2.gz VYATYROPROWOBB-LLVKDONJSA-N 1 0 263.297 1.353 20 5 CDBDRO O=C(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)NC1CC1 ZINC000111158463 186363112 /nfs/dbraw/zinc/36/31/12/186363112.db2.gz GBEGNWTXWSDHBQ-UHFFFAOYSA-N 1 0 283.353 1.805 20 5 CDBDRO C[C@@H](NC(=O)[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000062114356 363010163 /nfs/dbraw/zinc/01/01/63/363010163.db2.gz WXWLXDVHGAXHRS-KOLCDFICSA-N 1 0 263.297 1.382 20 5 CDBDRO Cc1c(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000113451973 186577909 /nfs/dbraw/zinc/57/79/09/186577909.db2.gz DZBZQLFXMUSQKN-LBPRGKRZSA-N 1 0 291.351 1.927 20 5 CDBDRO CC(C)[NH+]1CCN(CCCn2nccc2[N+](=O)[O-])CC1 ZINC000412992379 363035618 /nfs/dbraw/zinc/03/56/18/363035618.db2.gz MBDIFYMNGOXTES-UHFFFAOYSA-N 1 0 281.360 1.207 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000156444752 351492204 /nfs/dbraw/zinc/49/22/04/351492204.db2.gz VYLGLXODFPUFQK-BXKDBHETSA-N 1 0 294.311 1.175 20 5 CDBDRO C[C@@H]1CC[C@H]([N@H+](CCO)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000351628244 366056481 /nfs/dbraw/zinc/05/64/81/366056481.db2.gz LUNCFKARVJTYDY-NEPJUHHUSA-N 1 0 282.344 1.274 20 5 CDBDRO Cc1cc(NC[C@@H](O)CO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000122211058 187021017 /nfs/dbraw/zinc/02/10/17/187021017.db2.gz WDBYLQDDEFPUIG-SNVBAGLBSA-N 1 0 277.280 1.217 20 5 CDBDRO CCc1nn(C)c(NC[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000291987310 198125946 /nfs/dbraw/zinc/12/59/46/198125946.db2.gz XRKRJNDAUXMZQF-SECBINFHSA-N 1 0 269.349 1.500 20 5 CDBDRO COc1ccc(NC(=O)C[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000136482306 363110656 /nfs/dbraw/zinc/11/06/56/363110656.db2.gz UZCXCXNRRGMIIQ-VIFPVBQESA-N 1 0 279.296 1.684 20 5 CDBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000292026139 198137808 /nfs/dbraw/zinc/13/78/08/198137808.db2.gz XDBRSXHAPAVOLX-LLVKDONJSA-N 1 0 297.359 1.026 20 5 CDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC1=CC[NH2+]CC1 ZINC000384811656 366084090 /nfs/dbraw/zinc/08/40/90/366084090.db2.gz GBQAADKFGWWEGE-UTCJRWHESA-N 1 0 287.319 1.644 20 5 CDBDRO C[C@H](CCCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000292216149 198205233 /nfs/dbraw/zinc/20/52/33/198205233.db2.gz ZJCDTTRUEDKTIE-MRVPVSSYSA-N 1 0 254.290 1.170 20 5 CDBDRO CC(C)C(=O)NCCN(C)Cc1csc([N+](=O)[O-])c1 ZINC000157330094 188311145 /nfs/dbraw/zinc/31/11/45/188311145.db2.gz RLCUZJHTEONIPA-UHFFFAOYSA-N 1 0 285.369 1.860 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000268862753 366096168 /nfs/dbraw/zinc/09/61/68/366096168.db2.gz VYRAKNFAXQYCEY-VIFPVBQESA-N 1 0 281.312 1.218 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1[N+](=O)[O-] ZINC000248640436 363261329 /nfs/dbraw/zinc/26/13/29/363261329.db2.gz RETUBBALKJXZKQ-AVGNSLFASA-N 1 0 289.335 1.713 20 5 CDBDRO CCOc1ccc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000516928193 363265131 /nfs/dbraw/zinc/26/51/31/363265131.db2.gz KUNROIFVBWHXFS-NXEZZACHSA-N 1 0 295.339 1.849 20 5 CDBDRO CN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000493427362 356267201 /nfs/dbraw/zinc/26/72/01/356267201.db2.gz QWZWRLFAOSQFJB-HYXAFXHYSA-N 1 0 293.298 1.695 20 5 CDBDRO CC(C)[C@@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000219416870 356340796 /nfs/dbraw/zinc/34/07/96/356340796.db2.gz JPLGSQLGGDKKKT-GFCCVEGCSA-N 1 0 297.311 2.000 20 5 CDBDRO Cc1cc(NC[C@@]2(O)CC[N@@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000360047312 356476193 /nfs/dbraw/zinc/47/61/93/356476193.db2.gz LANIVWDKOSOVMP-ZDUSSCGKSA-N 1 0 283.303 1.521 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000048336238 356547027 /nfs/dbraw/zinc/54/70/27/356547027.db2.gz DGSHZIVYDKFVHS-JTQLQIEISA-N 1 0 262.313 1.886 20 5 CDBDRO COc1cccc(C(=O)NC[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000341283188 357220926 /nfs/dbraw/zinc/22/09/26/357220926.db2.gz WSVCDONUQCBZMR-JTQLQIEISA-N 1 0 295.339 1.531 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]CCC2CC(O)C2)cs1 ZINC000432369798 357253043 /nfs/dbraw/zinc/25/30/43/357253043.db2.gz XEHNRUDFXOLFLX-UHFFFAOYSA-N 1 0 256.327 1.907 20 5 CDBDRO C[C@@H](O)C[NH+]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000189356165 358000043 /nfs/dbraw/zinc/00/00/43/358000043.db2.gz QXYCQZRZVDKONL-CHWSQXEVSA-N 1 0 293.367 1.654 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCC[NH2+]CC2)n1 ZINC001579642798 1172232230 /nfs/dbraw/zinc/23/22/30/1172232230.db2.gz WIUQPAYOQLWORB-LLVKDONJSA-N 1 0 292.339 1.418 20 5 CDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCC[NH+]1CCC1 ZINC000337572789 358085508 /nfs/dbraw/zinc/08/55/08/358085508.db2.gz DOCKYBWFMWZOSD-UHFFFAOYSA-N 1 0 292.339 1.219 20 5 CDBDRO COC(=O)c1cc(NC(=O)[C@@H](C)[C@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000192005162 358167574 /nfs/dbraw/zinc/16/75/74/358167574.db2.gz WBIHWASALJLFQB-YUMQZZPRSA-N 1 0 295.295 1.303 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000192463143 358204787 /nfs/dbraw/zinc/20/47/87/358204787.db2.gz ZNDZQZBJQTXYBH-BETUJISGSA-N 1 0 289.335 1.537 20 5 CDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000193419969 358293540 /nfs/dbraw/zinc/29/35/40/358293540.db2.gz OPDNWCQNJHFXQH-LLVKDONJSA-N 1 0 293.371 1.225 20 5 CDBDRO O=[N+]([O-])c1cnn(CCN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000584354024 366387413 /nfs/dbraw/zinc/38/74/13/366387413.db2.gz YXTFYBKHCYBKFT-KBPBESRZSA-N 1 0 293.371 1.398 20 5 CDBDRO Nc1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000287225418 358338475 /nfs/dbraw/zinc/33/84/75/358338475.db2.gz IYPACLCILIDSPR-LBPRGKRZSA-N 1 0 274.324 1.628 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNc1ncc([N+](=O)[O-])cn1 ZINC000230873352 358796486 /nfs/dbraw/zinc/79/64/86/358796486.db2.gz RXKCRSLTFSSALK-VIFPVBQESA-N 1 0 253.306 1.527 20 5 CDBDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000162836179 358837950 /nfs/dbraw/zinc/83/79/50/358837950.db2.gz FYFUVYQAAYWIFJ-WDEREUQCSA-N 1 0 250.298 1.798 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000262491607 358841489 /nfs/dbraw/zinc/84/14/89/358841489.db2.gz VDCYTLILKYJFGK-SNVBAGLBSA-N 1 0 295.339 1.721 20 5 CDBDRO CO[C@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000451847987 359085128 /nfs/dbraw/zinc/08/51/28/359085128.db2.gz JJAMOIOZLIEJPY-OLZOCXBDSA-N 1 0 294.355 1.681 20 5 CDBDRO CC[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000338198804 359097918 /nfs/dbraw/zinc/09/79/18/359097918.db2.gz IWJSTOWHCMIEGP-CYBMUJFWSA-N 1 0 294.355 1.463 20 5 CDBDRO COC(=O)[C@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000048335489 359200737 /nfs/dbraw/zinc/20/07/37/359200737.db2.gz UODODWGFXBQRNT-SNVBAGLBSA-N 1 0 296.323 1.844 20 5 CDBDRO Cc1ccc(C[NH2+]CCn2cccn2)cc1[N+](=O)[O-] ZINC000048449460 359207129 /nfs/dbraw/zinc/20/71/29/359207129.db2.gz WKHIZQAGJPMDID-UHFFFAOYSA-N 1 0 260.297 1.890 20 5 CDBDRO CC[N@H+](C)CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000112926514 359366763 /nfs/dbraw/zinc/36/67/63/359366763.db2.gz SKUWGGLMQNMROZ-CMDGGOBGSA-N 1 0 277.324 1.676 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000130319315 359369385 /nfs/dbraw/zinc/36/93/85/359369385.db2.gz PFRDWDWHJUPDDF-NSHDSACASA-N 1 0 265.313 1.842 20 5 CDBDRO CN1CCN(C)[C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000227652019 359580989 /nfs/dbraw/zinc/58/09/89/359580989.db2.gz VRSQBUIXQIKNSI-JTQLQIEISA-N 1 0 299.762 1.301 20 5 CDBDRO Nc1ccc(C(=O)N2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237847414 283457978 /nfs/dbraw/zinc/45/79/78/283457978.db2.gz XUYSKCUUVZVFHQ-JTQLQIEISA-N 1 0 278.312 1.130 20 5 CDBDRO C[C@H]1[C@@H](CO)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000385753001 359916335 /nfs/dbraw/zinc/91/63/35/359916335.db2.gz DHSARZXIEJGSJE-WCQYABFASA-N 1 0 264.325 1.840 20 5 CDBDRO C[N@@H+]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000297976306 200311619 /nfs/dbraw/zinc/31/16/19/200311619.db2.gz VTYUCRKYHGKFRI-UHFFFAOYSA-N 1 0 279.340 1.611 20 5 CDBDRO C[NH+](C)CC(C)(C)CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000298315834 200393229 /nfs/dbraw/zinc/39/32/29/200393229.db2.gz QKTYSAPBUYQLLD-UHFFFAOYSA-N 1 0 295.343 1.088 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000063020102 360228659 /nfs/dbraw/zinc/22/86/59/360228659.db2.gz QJQBKVOOKAEASL-UHFFFAOYSA-N 1 0 255.249 1.201 20 5 CDBDRO NC(=O)[C@H]1CCCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000162001553 360442533 /nfs/dbraw/zinc/44/25/33/360442533.db2.gz QRRSADKPYAQDBE-HZRUHFOJSA-N 1 0 289.335 1.948 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](C)N2CC[NH+](C)CC2)n1 ZINC000178208064 189097643 /nfs/dbraw/zinc/09/76/43/189097643.db2.gz BKHAWNQCIGOVKN-LBPRGKRZSA-N 1 0 293.371 1.346 20 5 CDBDRO C[NH+](C)CCC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000299085554 200603866 /nfs/dbraw/zinc/60/38/66/200603866.db2.gz SKEICDUOYKKFDH-UHFFFAOYSA-N 1 0 295.339 1.992 20 5 CDBDRO CCc1nn(C)c(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000575155314 360972278 /nfs/dbraw/zinc/97/22/78/360972278.db2.gz ILSOLKSMEJJRCY-ZJUUUORDSA-N 1 0 293.371 1.928 20 5 CDBDRO COc1ccc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000070075884 361238800 /nfs/dbraw/zinc/23/88/00/361238800.db2.gz XFCRFINMFMJWGT-NXEZZACHSA-N 1 0 293.323 1.426 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000168710115 361414566 /nfs/dbraw/zinc/41/45/66/361414566.db2.gz ZRFPMTAHYWXBDA-BDAKNGLRSA-N 1 0 281.287 1.543 20 5 CDBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000137107903 363798852 /nfs/dbraw/zinc/79/88/52/363798852.db2.gz OKIOVYOIAHKAHY-UHFFFAOYSA-N 1 0 295.343 1.311 20 5 CDBDRO CNc1ccc(C(=O)N2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000580283538 363898445 /nfs/dbraw/zinc/89/84/45/363898445.db2.gz BWIZMETTWLVYSK-JTQLQIEISA-N 1 0 292.339 1.447 20 5 CDBDRO CC(C)[N@H+](C)CCCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000063738527 363943756 /nfs/dbraw/zinc/94/37/56/363943756.db2.gz IMXTWPMSYXQATC-UHFFFAOYSA-N 1 0 294.355 1.637 20 5 CDBDRO O=C(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])NCC(F)F ZINC000580569887 363924342 /nfs/dbraw/zinc/92/43/42/363924342.db2.gz IOMJVPVYESEVHX-SNVBAGLBSA-N 1 0 299.277 1.553 20 5 CDBDRO Cc1c(C[N@@H+]2C[C@H](O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000351795637 364010078 /nfs/dbraw/zinc/01/00/78/364010078.db2.gz OCGROWQYHJWIAX-ZANVPECISA-N 1 0 250.298 1.716 20 5 CDBDRO CN(C)C(=O)CCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000581080487 363964269 /nfs/dbraw/zinc/96/42/69/363964269.db2.gz UMBMVRQIMOJWQA-UHFFFAOYSA-N 1 0 293.367 1.938 20 5 CDBDRO C[C@@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000545397651 364071009 /nfs/dbraw/zinc/07/10/09/364071009.db2.gz QYIJHWVVUUIUBO-ZDUSSCGKSA-N 1 0 250.298 1.942 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000581896812 364051878 /nfs/dbraw/zinc/05/18/78/364051878.db2.gz ZOTDWFHDAGTFCN-NSHDSACASA-N 1 0 292.339 1.623 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000366719637 364068343 /nfs/dbraw/zinc/06/83/43/364068343.db2.gz HUISSQNJXJAUKL-KGYLQXTDSA-N 1 0 280.324 1.392 20 5 CDBDRO Cc1nc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000582527515 364141277 /nfs/dbraw/zinc/14/12/77/364141277.db2.gz BWMBEOOBFXOPNO-WCBMZHEXSA-N 1 0 265.317 1.588 20 5 CDBDRO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000261588433 291304865 /nfs/dbraw/zinc/30/48/65/291304865.db2.gz KDXYLQSXSKOHIC-OIBJUYFYSA-N 1 0 283.715 1.810 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000088147741 364265244 /nfs/dbraw/zinc/26/52/44/364265244.db2.gz JGBHWXVHQSELLR-NSHDSACASA-N 1 0 277.324 1.585 20 5 CDBDRO COc1cc(CN2CC[C@@H](O)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000249599885 364972183 /nfs/dbraw/zinc/97/21/83/364972183.db2.gz XVUUAJDKNAPCHY-NOZJJQNGSA-N 1 0 298.314 1.945 20 5 CDBDRO C[C@H](CC[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1F ZINC000413092298 240515795 /nfs/dbraw/zinc/51/57/95/240515795.db2.gz FUDNRFKGMPTRKP-MRVPVSSYSA-N 1 0 256.281 1.881 20 5 CDBDRO CC[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000270957391 366946033 /nfs/dbraw/zinc/94/60/33/366946033.db2.gz UNRJPBJVANXONS-MFKMUULPSA-N 1 0 250.298 1.798 20 5 CDBDRO C[N@@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000270971880 366947583 /nfs/dbraw/zinc/94/75/83/366947583.db2.gz AVSDCGGDRQYRIZ-UHFFFAOYSA-N 1 0 293.367 2.000 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000414654915 241303106 /nfs/dbraw/zinc/30/31/06/241303106.db2.gz KBQZXVYMLWLETD-JTQLQIEISA-N 1 0 294.311 1.462 20 5 CDBDRO CN(CC[NH3+])c1ccc(Br)cc1[N+](=O)[O-] ZINC000054419573 367188218 /nfs/dbraw/zinc/18/82/18/367188218.db2.gz LQXNQBCGOIQWBG-UHFFFAOYSA-N 1 0 274.118 1.752 20 5 CDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CNCCO1 ZINC000415092527 241558785 /nfs/dbraw/zinc/55/87/85/241558785.db2.gz GIXLNBSLAQWJNI-OCCSQVGLSA-N 1 0 293.367 1.494 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000094340106 367247133 /nfs/dbraw/zinc/24/71/33/367247133.db2.gz IVMPHAPKGBCOTF-CMPLNLGQSA-N 1 0 277.324 1.713 20 5 CDBDRO Nc1c(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000269132857 367357323 /nfs/dbraw/zinc/35/73/23/367357323.db2.gz MVEGFSVFPJQMEL-NXEZZACHSA-N 1 0 278.312 1.177 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H](CO)C1 ZINC000348569935 367534490 /nfs/dbraw/zinc/53/44/90/367534490.db2.gz IKVXSSDGVDLPLE-NSHDSACASA-N 1 0 293.323 1.156 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000272312641 367677478 /nfs/dbraw/zinc/67/74/78/367677478.db2.gz SBNALNQRDAPMIN-UWVGGRQHSA-N 1 0 293.323 1.413 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC([NH+](C)C)C1 ZINC000272543098 367760890 /nfs/dbraw/zinc/76/08/90/367760890.db2.gz HGMRBOYHPUZGJP-UHFFFAOYSA-N 1 0 292.339 1.989 20 5 CDBDRO C[NH+](C)C(C)(C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000121693849 368155027 /nfs/dbraw/zinc/15/50/27/368155027.db2.gz CBCPENGXJVSLLN-UHFFFAOYSA-N 1 0 298.318 1.386 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000418388771 243017868 /nfs/dbraw/zinc/01/78/68/243017868.db2.gz NRIIDHOXKBBVME-LLVKDONJSA-N 1 0 294.355 1.592 20 5 CDBDRO COCC[NH2+]CCNCc1ccc([N+](=O)[O-])cc1F ZINC000414869236 370919069 /nfs/dbraw/zinc/91/90/69/370919069.db2.gz FUBUHBZFQYSNEL-UHFFFAOYSA-N 1 0 271.292 1.060 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000089106912 368977212 /nfs/dbraw/zinc/97/72/12/368977212.db2.gz TUPWGFIQHIIRKR-STQMWFEESA-N 1 0 291.351 1.771 20 5 CDBDRO C[NH2+]CCN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420331829 244096367 /nfs/dbraw/zinc/09/63/67/244096367.db2.gz AQHIVUKRULGXBY-JTQLQIEISA-N 1 0 280.328 1.073 20 5 CDBDRO C[N@@H+]1CC[C@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000037647674 369496555 /nfs/dbraw/zinc/49/65/55/369496555.db2.gz MMXDWXFLTFTTDP-MRVPVSSYSA-N 1 0 281.341 1.668 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000295233363 369718723 /nfs/dbraw/zinc/71/87/23/369718723.db2.gz OGCVIQBSJLVIAE-NSHDSACASA-N 1 0 294.355 1.640 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000295243020 369720391 /nfs/dbraw/zinc/72/03/91/369720391.db2.gz PJWSYVJNNLKDDN-VIFPVBQESA-N 1 0 280.328 1.128 20 5 CDBDRO C[C@H]([NH2+]CCC(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000037751776 370055970 /nfs/dbraw/zinc/05/59/70/370055970.db2.gz OLANFALRJAQMRQ-JTQLQIEISA-N 1 0 265.313 1.724 20 5 CDBDRO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766538 370079397 /nfs/dbraw/zinc/07/93/97/370079397.db2.gz YXMFVAFOOVEBCS-JOYOIKCWSA-N 1 0 265.313 1.899 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)CC[NH3+] ZINC000422558435 245113277 /nfs/dbraw/zinc/11/32/77/245113277.db2.gz OEGPBDOZKNLODC-UHFFFAOYSA-N 1 0 296.327 1.852 20 5 CDBDRO [NH3+]C[C@H]1C[C@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC001580332423 1172406449 /nfs/dbraw/zinc/40/64/49/1172406449.db2.gz GJXHGUQEUZBFTG-CZMCAQCFSA-N 1 0 299.277 1.540 20 5 CDBDRO CC[C@H]([NH3+])CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000414972249 371196821 /nfs/dbraw/zinc/19/68/21/371196821.db2.gz AQEPFVDZLLSRGX-JTQLQIEISA-N 1 0 283.328 1.439 20 5 CDBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000352121157 371218406 /nfs/dbraw/zinc/21/84/06/371218406.db2.gz OIKDTJFHNOYCSU-CQSZACIVSA-N 1 0 295.339 1.027 20 5 CDBDRO [NH3+]Cc1cccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)c1 ZINC001580342764 1172410096 /nfs/dbraw/zinc/41/00/96/1172410096.db2.gz HFDSYWGXUPHKHW-UHFFFAOYSA-N 1 0 295.686 1.682 20 5 CDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000236632746 189835783 /nfs/dbraw/zinc/83/57/83/189835783.db2.gz UTSBSIIXVQFMRI-NSHDSACASA-N 1 0 295.339 1.463 20 5 CDBDRO CS[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000296038652 372493007 /nfs/dbraw/zinc/49/30/07/372493007.db2.gz AJYZQOTUAOPHAF-SECBINFHSA-N 1 0 256.331 1.229 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000289796231 197487038 /nfs/dbraw/zinc/48/70/38/197487038.db2.gz YVOWSRVTDOOONB-VXGBXAGGSA-N 1 0 277.324 1.599 20 5 CDBDRO C[C@]1(O)CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269637984 373231273 /nfs/dbraw/zinc/23/12/73/373231273.db2.gz HYOSVBUZWVVLDA-OLZOCXBDSA-N 1 0 266.297 1.085 20 5 CDBDRO CCC[C@H]([NH3+])C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810247 373400326 /nfs/dbraw/zinc/40/03/26/373400326.db2.gz MPDQLAZZSHFZTO-NSHDSACASA-N 1 0 265.313 1.681 20 5 CDBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CC(O)C1 ZINC000091491232 374001217 /nfs/dbraw/zinc/00/12/17/374001217.db2.gz XYDYTSZSGVLOOQ-UHFFFAOYSA-N 1 0 250.298 1.798 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418240819 374259522 /nfs/dbraw/zinc/25/95/22/374259522.db2.gz ZUPUVWJLJGBFAL-ONGXEEELSA-N 1 0 280.328 1.692 20 5 CDBDRO CC1CC[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000298859332 374241296 /nfs/dbraw/zinc/24/12/96/374241296.db2.gz GNJBGUSXZQNYBW-UHFFFAOYSA-N 1 0 294.355 1.775 20 5 CDBDRO C[C@@H]1C[C@@H](CO)C[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000420943745 374308014 /nfs/dbraw/zinc/30/80/14/374308014.db2.gz QEPHQHMBOBXDCL-CHWSQXEVSA-N 1 0 294.351 1.924 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCCC[C@H]1C[NH3+] ZINC000115341087 374401177 /nfs/dbraw/zinc/40/11/77/374401177.db2.gz ABTOHOJRDARZRD-IUCAKERBSA-N 1 0 253.306 1.258 20 5 CDBDRO CCOc1ccc([C@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000423431834 374381215 /nfs/dbraw/zinc/38/12/15/374381215.db2.gz LZBIMNDIAUVQHL-APAOZMKASA-N 1 0 291.351 1.862 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)CC[NH3+] ZINC000423502856 374386395 /nfs/dbraw/zinc/38/63/95/374386395.db2.gz FGKHENBGEGSQHH-JTQLQIEISA-N 1 0 265.313 1.679 20 5 CDBDRO C[C@H]1COCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000371100579 374408536 /nfs/dbraw/zinc/40/85/36/374408536.db2.gz PGJKUTQLCBCQEN-BXUZGUMPSA-N 1 0 280.324 1.597 20 5 CDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[NH3+] ZINC000424013147 246288476 /nfs/dbraw/zinc/28/84/76/246288476.db2.gz VNUGSAAVDXOMQG-SECBINFHSA-N 1 0 283.353 1.493 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000424011977 246288836 /nfs/dbraw/zinc/28/88/36/246288836.db2.gz NWSKCOXFMBTPRC-UHFFFAOYSA-N 1 0 281.312 1.042 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423990749 246273694 /nfs/dbraw/zinc/27/36/94/246273694.db2.gz ZMWHSVGOQMUKIP-ZYHUDNBSSA-N 1 0 277.324 1.631 20 5 CDBDRO C[C@@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000081907673 374561600 /nfs/dbraw/zinc/56/16/00/374561600.db2.gz NNRRRARIALDXAY-UWVGGRQHSA-N 1 0 286.353 1.679 20 5 CDBDRO Cc1c(NC(=O)CC[N@H+](C)CCO)cccc1[N+](=O)[O-] ZINC000299236898 374585324 /nfs/dbraw/zinc/58/53/24/374585324.db2.gz SKMMHWWSBNCDBK-UHFFFAOYSA-N 1 0 281.312 1.156 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000070172298 374654071 /nfs/dbraw/zinc/65/40/71/374654071.db2.gz GGGZQYNMFZRDJM-PWSUYJOCSA-N 1 0 277.324 1.794 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000449341255 374801604 /nfs/dbraw/zinc/80/16/04/374801604.db2.gz SNMHBGBVXRTLLG-YUTCNCBUSA-N 1 0 294.351 1.655 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000124553332 374822785 /nfs/dbraw/zinc/82/27/85/374822785.db2.gz DCOQSSFICPLWAO-UHFFFAOYSA-N 1 0 285.731 1.930 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000124764989 374846470 /nfs/dbraw/zinc/84/64/70/374846470.db2.gz DYPFNCLIGXHIQA-MWLCHTKSSA-N 1 0 263.297 1.547 20 5 CDBDRO Cc1cc(NC(=O)N2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000332353024 375028931 /nfs/dbraw/zinc/02/89/31/375028931.db2.gz RUFZROKXHDVGII-UHFFFAOYSA-N 1 0 278.312 1.730 20 5 CDBDRO COC[C@H](O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000282722558 375100450 /nfs/dbraw/zinc/10/04/50/375100450.db2.gz RXLLPMNPHSWIHW-FVOPLDGLSA-N 1 0 266.297 1.205 20 5 CDBDRO COc1ccc(C[NH2+]CC2(O)CCCC2)cc1[N+](=O)[O-] ZINC000096479187 375104254 /nfs/dbraw/zinc/10/42/54/375104254.db2.gz ZIYKIMIIWXQPPP-UHFFFAOYSA-N 1 0 280.324 1.998 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000282946031 375107675 /nfs/dbraw/zinc/10/76/75/375107675.db2.gz ASGCIOJSYLELGF-UHFFFAOYSA-N 1 0 298.318 1.388 20 5 CDBDRO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1O ZINC000283268145 375112100 /nfs/dbraw/zinc/11/21/00/375112100.db2.gz WLAZCQBLSXRQRG-GXFFZTMASA-N 1 0 268.288 1.937 20 5 CDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000162148581 375281000 /nfs/dbraw/zinc/28/10/00/375281000.db2.gz SVWVXLNXXOYKHW-CYBMUJFWSA-N 1 0 296.327 1.029 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000162040494 375261716 /nfs/dbraw/zinc/26/17/16/375261716.db2.gz UMWKDXKIGGTHQK-GHMZBOCLSA-N 1 0 293.323 1.360 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493554471 375463921 /nfs/dbraw/zinc/46/39/21/375463921.db2.gz MCLVELRTEUJJNJ-CJHWANRJSA-N 1 0 279.271 1.307 20 5 CDBDRO C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000057308098 375413989 /nfs/dbraw/zinc/41/39/89/375413989.db2.gz AOCVPNXQSZWWML-LLVKDONJSA-N 1 0 277.324 1.809 20 5 CDBDRO COc1cc(C[NH2+]C[C@H](O)C(F)F)c([N+](=O)[O-])cc1O ZINC000344766334 375430787 /nfs/dbraw/zinc/43/07/87/375430787.db2.gz XMOZYTRPEXQRRS-VIFPVBQESA-N 1 0 292.238 1.025 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000305166786 375563266 /nfs/dbraw/zinc/56/32/66/375563266.db2.gz HWZIAXUXUGYZPZ-LSDHHAIUSA-N 1 0 292.335 1.741 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@H+](C)C1CC1 ZINC000057703183 375564562 /nfs/dbraw/zinc/56/45/62/375564562.db2.gz IOPNLXVWWBNXDY-VIFPVBQESA-N 1 0 295.314 1.946 20 5 CDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(CCO)CC1 ZINC000353363697 375601734 /nfs/dbraw/zinc/60/17/34/375601734.db2.gz KXZVYLUXTLDWMU-UHFFFAOYSA-N 1 0 293.367 1.483 20 5 CDBDRO CC[C@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000294046968 375654941 /nfs/dbraw/zinc/65/49/41/375654941.db2.gz JCJSHTZOXUWXKO-SNVBAGLBSA-N 1 0 256.277 1.937 20 5 CDBDRO COc1c(C(=O)NC[C@@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000354431975 375709898 /nfs/dbraw/zinc/70/98/98/375709898.db2.gz SZWHRFAJPLPTHT-SECBINFHSA-N 1 0 281.312 1.283 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000347353779 375811855 /nfs/dbraw/zinc/81/18/55/375811855.db2.gz HJRYCEMNVBFPRB-YLBKJLTLSA-N 1 0 289.335 1.805 20 5 CDBDRO C[C@@H](C1CCC1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000357024359 375876232 /nfs/dbraw/zinc/87/62/32/375876232.db2.gz MVJWTFATJBQJQG-JTQLQIEISA-N 1 0 252.318 1.912 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357086953 375884067 /nfs/dbraw/zinc/88/40/67/375884067.db2.gz RWTLJLHVNAVZIV-GFCCVEGCSA-N 1 0 293.371 1.150 20 5 CDBDRO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000358248957 375958423 /nfs/dbraw/zinc/95/84/23/375958423.db2.gz IQIJVDXEAHNOFK-ZJUUUORDSA-N 1 0 286.353 1.679 20 5 CDBDRO CC(C)[NH+](CCNC(=O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000032245188 375922603 /nfs/dbraw/zinc/92/26/03/375922603.db2.gz LDSLSZHQFBIDFV-UHFFFAOYSA-N 1 0 297.359 1.026 20 5 CDBDRO CC[NH+](CC)CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347403033 376092358 /nfs/dbraw/zinc/09/23/58/376092358.db2.gz HVRGPUZSBHBDNO-UHFFFAOYSA-N 1 0 289.339 1.714 20 5 CDBDRO CCC(CC)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000262049949 190047951 /nfs/dbraw/zinc/04/79/51/190047951.db2.gz HGFSBQYRUQJBCF-UHFFFAOYSA-N 1 0 280.328 1.424 20 5 CDBDRO C[NH+](C)C(C)(C)CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347435582 376143613 /nfs/dbraw/zinc/14/36/13/376143613.db2.gz SWZSALKJRGQTKF-UHFFFAOYSA-N 1 0 289.339 1.712 20 5 CDBDRO Cc1cccc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1[N+](=O)[O-] ZINC000262827286 190063247 /nfs/dbraw/zinc/06/32/47/190063247.db2.gz PZHZSOLWZNVETA-JQWIXIFHSA-N 1 0 277.324 1.631 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000262969197 190065372 /nfs/dbraw/zinc/06/53/72/190065372.db2.gz XJBFBAXXWJPCEK-MNOVXSKESA-N 1 0 293.323 1.230 20 5 CDBDRO COc1ccc(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000487034740 376568778 /nfs/dbraw/zinc/56/87/78/376568778.db2.gz FJOYSEMZAVEERQ-GXSJLCMTSA-N 1 0 293.323 1.740 20 5 CDBDRO C[NH2+][C@@H](C)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000054075095 376576954 /nfs/dbraw/zinc/57/69/54/376576954.db2.gz NWAFZUJBAPBRND-VIFPVBQESA-N 1 0 251.286 1.161 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000264458506 190111081 /nfs/dbraw/zinc/11/10/81/190111081.db2.gz XMEXMDGIJUCHFD-SECBINFHSA-N 1 0 283.353 1.823 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000127352385 377077898 /nfs/dbraw/zinc/07/78/98/377077898.db2.gz PNOJPFVJSYNVAV-DTWKUNHWSA-N 1 0 253.277 1.907 20 5 CDBDRO COCC[C@](C)(O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000172072152 377240212 /nfs/dbraw/zinc/24/02/12/377240212.db2.gz WOJBXAVPROUTPN-NSHDSACASA-N 1 0 274.342 1.533 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264913862 190143853 /nfs/dbraw/zinc/14/38/53/190143853.db2.gz NYISGZDBNOUQKZ-SNVBAGLBSA-N 1 0 265.313 1.665 20 5 CDBDRO CC1(C)C[NH+](CCn2ccc([N+](=O)[O-])n2)CC(C)(C)O1 ZINC000190524513 377757025 /nfs/dbraw/zinc/75/70/25/377757025.db2.gz BCTFNTAYUFYPAJ-UHFFFAOYSA-N 1 0 282.344 1.681 20 5 CDBDRO C[NH+](C)CC(C)(C)CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000172978633 377792626 /nfs/dbraw/zinc/79/26/26/377792626.db2.gz VXVHSHHQNHCFKE-UHFFFAOYSA-N 1 0 293.367 1.841 20 5 CDBDRO CC(C)[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173057458 377846617 /nfs/dbraw/zinc/84/66/17/377846617.db2.gz MZJIRNIPUNGQOD-UHFFFAOYSA-N 1 0 291.351 1.690 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCC[NH+]1CCCCC1 ZINC000173100216 377921694 /nfs/dbraw/zinc/92/16/94/377921694.db2.gz LIMFGTWVBPKVSB-UHFFFAOYSA-N 1 0 291.351 1.739 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266156871 190235587 /nfs/dbraw/zinc/23/55/87/190235587.db2.gz OGVDHKAGFDWGKS-CYBMUJFWSA-N 1 0 277.324 1.348 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000441618385 249892166 /nfs/dbraw/zinc/89/21/66/249892166.db2.gz XRAQLOZUBMDSBR-UWVGGRQHSA-N 1 0 297.380 1.786 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NCC[N@@H+]1CCCC(C)(C)C1 ZINC000443963133 250065920 /nfs/dbraw/zinc/06/59/20/250065920.db2.gz OCCVAACZHIQPFL-UHFFFAOYSA-N 1 0 281.360 1.862 20 5 CDBDRO COCC[C@@]1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000447085298 250339777 /nfs/dbraw/zinc/33/97/77/250339777.db2.gz HXBVPTMZEWPRHF-CQSZACIVSA-N 1 0 280.324 1.880 20 5 CDBDRO CCOC[C@H](O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447538393 250383483 /nfs/dbraw/zinc/38/34/83/250383483.db2.gz BXISFNQHQXYXFI-UKRRQHHQSA-N 1 0 294.351 1.959 20 5 CDBDRO C[C@@H](O)C[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000245773554 379327589 /nfs/dbraw/zinc/32/75/89/379327589.db2.gz KYPQJGCOJGOEEG-MFKMUULPSA-N 1 0 293.323 1.013 20 5 CDBDRO CCC[N@H+](CC)CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000174643550 379548250 /nfs/dbraw/zinc/54/82/50/379548250.db2.gz LXBARIKSADIFDB-UHFFFAOYSA-N 1 0 297.359 1.030 20 5 CDBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)cccc1[N+](=O)[O-] ZINC000268812989 190435905 /nfs/dbraw/zinc/43/59/05/190435905.db2.gz HOQNPRKLUVOZGM-GHMZBOCLSA-N 1 0 277.324 1.785 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000299918200 285160961 /nfs/dbraw/zinc/16/09/61/285160961.db2.gz JZBMEQDLOLOZKJ-AAEUAGOBSA-N 1 0 261.325 1.779 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000288318258 197050630 /nfs/dbraw/zinc/05/06/30/197050630.db2.gz AAQBNVPLRJENLI-LLVKDONJSA-N 1 0 298.364 1.509 20 5 CDBDRO CO[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000281819789 195395743 /nfs/dbraw/zinc/39/57/43/195395743.db2.gz WUPZKWAOPDTHKE-PWSUYJOCSA-N 1 0 268.317 1.291 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)n1 ZINC000451424969 390619193 /nfs/dbraw/zinc/61/91/93/390619193.db2.gz SYYAZAAFDRUDRI-YNEHKIRRSA-N 1 0 294.355 1.417 20 5 CDBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000451501658 390627789 /nfs/dbraw/zinc/62/77/89/390627789.db2.gz OUXYPRJYFUOEMI-ZMLRMANQSA-N 1 0 282.344 1.440 20 5 CDBDRO Cc1c(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000435237336 390607715 /nfs/dbraw/zinc/60/77/15/390607715.db2.gz XFKWTTWGVULVRG-LBPRGKRZSA-N 1 0 289.335 1.870 20 5 CDBDRO Cc1ccc(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000435235801 390607802 /nfs/dbraw/zinc/60/78/02/390607802.db2.gz OXNACYNPCXTDBR-ZDUSSCGKSA-N 1 0 289.335 1.870 20 5 CDBDRO C[C@H]([NH2+]CCNC(=O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000135794475 390873355 /nfs/dbraw/zinc/87/33/55/390873355.db2.gz PGDYDKLDHAFDMJ-JTQLQIEISA-N 1 0 277.324 1.772 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@H]1C[NH2+]CCC1(F)F ZINC000415009381 391240274 /nfs/dbraw/zinc/24/02/74/391240274.db2.gz XFDCKZJPKVIBQS-LBPRGKRZSA-N 1 0 285.294 1.990 20 5 CDBDRO O=[N+]([O-])c1cnc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(F)c1 ZINC000413309575 391196594 /nfs/dbraw/zinc/19/65/94/391196594.db2.gz BQLBFRSMZNLYSM-PHIMTYICSA-N 1 0 296.302 1.404 20 5 CDBDRO CSc1ccc(C(=O)NC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000194853847 391371312 /nfs/dbraw/zinc/37/13/12/391371312.db2.gz XKFXMUKNTBFAGU-SSDOTTSWSA-N 1 0 269.326 1.394 20 5 CDBDRO CC[C@@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000128875154 391374908 /nfs/dbraw/zinc/37/49/08/391374908.db2.gz CXDFDWHDRVUSKM-AWEZNQCLSA-N 1 0 277.324 1.743 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000186714823 391438753 /nfs/dbraw/zinc/43/87/53/391438753.db2.gz KWTQMVOEMQUYDU-MFKMUULPSA-N 1 0 293.323 1.088 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000415503505 391467882 /nfs/dbraw/zinc/46/78/82/391467882.db2.gz OJVGSMUTQQJNRG-SNVBAGLBSA-N 1 0 294.311 1.462 20 5 CDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@@H]1CC[NH2+]C1 ZINC000415634213 391470439 /nfs/dbraw/zinc/47/04/39/391470439.db2.gz RZGKGBUEIFYSII-MRVPVSSYSA-N 1 0 268.248 1.217 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH3+] ZINC000415756317 391471358 /nfs/dbraw/zinc/47/13/58/391471358.db2.gz DULJRIWIQCNCCV-UHFFFAOYSA-N 1 0 252.274 1.237 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000266326215 391714051 /nfs/dbraw/zinc/71/40/51/391714051.db2.gz GEPXAZYZRAKUQV-NWDGAFQWSA-N 1 0 294.355 1.190 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CNCC1([NH3+])CCC1 ZINC000342153606 130344974 /nfs/dbraw/zinc/34/49/74/130344974.db2.gz ZNJLHKKTIHPPKW-UHFFFAOYSA-N 1 0 279.340 1.965 20 5 CDBDRO C[C@H]([N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O)C1(C)CC1 ZINC000090552066 391911765 /nfs/dbraw/zinc/91/17/65/391911765.db2.gz FPDLZFSRDWMYPR-NSHDSACASA-N 1 0 279.340 1.877 20 5 CDBDRO CCC[NH2+][C@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000449152286 391981176 /nfs/dbraw/zinc/98/11/76/391981176.db2.gz DLTIQZLEPCQYGH-LLVKDONJSA-N 1 0 291.351 1.868 20 5 CDBDRO C[NH2+]CCN(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000237277280 131020054 /nfs/dbraw/zinc/02/00/54/131020054.db2.gz BGXQKAOOFWQMBP-UHFFFAOYSA-N 1 0 265.313 1.205 20 5 CDBDRO CC(C)c1ccc(C[NH2+][C@H](CO)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000419810096 392896974 /nfs/dbraw/zinc/89/69/74/392896974.db2.gz LFAFBAWHZAVLDQ-ZWNOBZJWSA-N 1 0 282.340 1.550 20 5 CDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000524720012 392918028 /nfs/dbraw/zinc/91/80/28/392918028.db2.gz UPONKAMDMOZIEF-SNVBAGLBSA-N 1 0 280.328 1.005 20 5 CDBDRO COC[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000525270918 392926394 /nfs/dbraw/zinc/92/63/94/392926394.db2.gz LPKAPMVNBQNVJU-LLVKDONJSA-N 1 0 280.328 1.147 20 5 CDBDRO Cc1cc(N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)ncc1[N+](=O)[O-] ZINC000272188311 393014074 /nfs/dbraw/zinc/01/40/74/393014074.db2.gz LQHAAXULGDHQDB-WCQYABFASA-N 1 0 276.340 1.829 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H](C)C[NH3+] ZINC000430936101 393105051 /nfs/dbraw/zinc/10/50/51/393105051.db2.gz XDJTZORIZFCUMU-LLVKDONJSA-N 1 0 294.355 1.511 20 5 CDBDRO Cc1nc(N2CCc3c[nH+]ccc32)ncc1[N+](=O)[O-] ZINC000297505950 393079595 /nfs/dbraw/zinc/07/95/95/393079595.db2.gz NIUQRNFCSZKREN-UHFFFAOYSA-N 1 0 257.253 1.782 20 5 CDBDRO CCOC[C@H](O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449165800 393131161 /nfs/dbraw/zinc/13/11/61/393131161.db2.gz XMGJSBIEPJALIL-WCQYABFASA-N 1 0 282.340 1.513 20 5 CDBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1csc([N+](=O)[O-])c1 ZINC000449660082 393137036 /nfs/dbraw/zinc/13/70/36/393137036.db2.gz DYPJIJZNGJABHL-ZETCQYMHSA-N 1 0 291.279 1.383 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493749727 393220106 /nfs/dbraw/zinc/22/01/06/393220106.db2.gz SPQKZCFCWKKHSN-RRAVTNDYSA-N 1 0 295.314 1.989 20 5 CDBDRO CC(C)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000304324418 393213584 /nfs/dbraw/zinc/21/35/84/393213584.db2.gz RUTOHSZRHSFUCS-AWEZNQCLSA-N 1 0 296.371 1.805 20 5 CDBDRO Cc1cc(N2C[C@@H](C)[NH2+]C[C@H]2C)ncc1[N+](=O)[O-] ZINC000252639087 393315834 /nfs/dbraw/zinc/31/58/34/393315834.db2.gz JLLYEORFQJFMSZ-NXEZZACHSA-N 1 0 250.302 1.485 20 5 CDBDRO COc1cc(N2CC[NH+](C[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000275058969 135103246 /nfs/dbraw/zinc/10/32/46/135103246.db2.gz VPYZFQGKSHPPOS-NSHDSACASA-N 1 0 295.339 1.106 20 5 CDBDRO COc1ccc(NC(=O)[C@@H](C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000136477885 139893980 /nfs/dbraw/zinc/89/39/80/139893980.db2.gz VWWXKYMCFZBJRB-JTQLQIEISA-N 1 0 281.312 1.773 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000221398959 140169096 /nfs/dbraw/zinc/16/90/96/140169096.db2.gz JZBMEQDLOLOZKJ-DGCLKSJQSA-N 1 0 261.325 1.779 20 5 CDBDRO Cc1ccnc(N2CC[C@@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000228162157 140190807 /nfs/dbraw/zinc/19/08/07/140190807.db2.gz JPZKVQZMLZYVJN-VHSXEESVSA-N 1 0 250.302 1.472 20 5 CDBDRO Cc1c(CNC(=O)[C@@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000231856295 140219941 /nfs/dbraw/zinc/21/99/41/140219941.db2.gz DEEYWXCIOMOPBA-QMMMGPOBSA-N 1 0 251.286 1.114 20 5 CDBDRO Cc1ccc(C(=O)N[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000232233459 140221085 /nfs/dbraw/zinc/22/10/85/140221085.db2.gz POMYPYMCOHDXFY-LBPRGKRZSA-N 1 0 277.324 1.775 20 5 CDBDRO CCCC[C@@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000236724395 140243008 /nfs/dbraw/zinc/24/30/08/140243008.db2.gz GCJMEUJQYPRDSU-CQSZACIVSA-N 1 0 291.351 1.997 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000251890654 140313632 /nfs/dbraw/zinc/31/36/32/140313632.db2.gz XAIUYSPUMBHSSP-ZWNOBZJWSA-N 1 0 250.298 1.798 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCC[C@H]1C[NH3+] ZINC000261578352 140354924 /nfs/dbraw/zinc/35/49/24/140354924.db2.gz DEUBAOCOEBTBQX-VHSXEESVSA-N 1 0 267.333 1.659 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000261622798 140364721 /nfs/dbraw/zinc/36/47/21/140364721.db2.gz AIFWVDDYVBAXSU-YPMHNXCESA-N 1 0 291.351 1.723 20 5 CDBDRO COC[C@@]1(CNc2ncc([N+](=O)[O-])cc2C)CCC[NH2+]1 ZINC000261708356 140378723 /nfs/dbraw/zinc/37/87/23/140378723.db2.gz JFTUWLZSOBPVJP-ZDUSSCGKSA-N 1 0 280.328 1.479 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000261841128 140396676 /nfs/dbraw/zinc/39/66/76/140396676.db2.gz VQNMXXIBBCPWFL-MWLCHTKSSA-N 1 0 299.352 1.013 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000261874016 140402844 /nfs/dbraw/zinc/40/28/44/140402844.db2.gz SSFLGDMDSPSIFR-GHMZBOCLSA-N 1 0 293.323 1.169 20 5 CDBDRO O=[N+]([O-])c1ccc(CCCCNC2=[NH+]CCCN2)cc1 ZINC000304272751 140525018 /nfs/dbraw/zinc/52/50/18/140525018.db2.gz HVCLMPWPJUUSBB-UHFFFAOYSA-N 1 0 276.340 1.856 20 5 CDBDRO CC(C)[NH2+]C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176229504 148030890 /nfs/dbraw/zinc/03/08/90/148030890.db2.gz WLUYAVRYQIBVLX-UHFFFAOYSA-N 1 0 281.360 1.254 20 5 CDBDRO C[C@@H](NC(=O)[C@]1(F)CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000178401314 148058507 /nfs/dbraw/zinc/05/85/07/148058507.db2.gz ZJNLKIMTVSURFU-RNCFNFMXSA-N 1 0 281.287 1.474 20 5 CDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H]1O ZINC000352668281 155342293 /nfs/dbraw/zinc/34/22/93/155342293.db2.gz QSPVNNXZDLJYDG-OLZOCXBDSA-N 1 0 250.298 1.940 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000343785423 152302146 /nfs/dbraw/zinc/30/21/46/152302146.db2.gz ATSHJIIXWDYINB-MRVPVSSYSA-N 1 0 266.301 1.056 20 5 CDBDRO CCOC(=O)CC(C)(C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000343886056 152340242 /nfs/dbraw/zinc/34/02/42/152340242.db2.gz ILYGJSSVEXZZMI-UHFFFAOYSA-N 1 0 298.343 1.455 20 5 CDBDRO CCc1n[nH]c(C(=O)N[C@H](C)C[NH+](CC)CC)c1[N+](=O)[O-] ZINC000345587528 152884757 /nfs/dbraw/zinc/88/47/57/152884757.db2.gz HAJUAHZSEGRWBW-SECBINFHSA-N 1 0 297.359 1.340 20 5 CDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@H]1O ZINC000352700803 155376809 /nfs/dbraw/zinc/37/68/09/155376809.db2.gz UYIZHFVVPWEJRQ-UONOGXRCSA-N 1 0 264.325 1.983 20 5 CDBDRO CSc1cccc(C(=O)N[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000346176671 153084520 /nfs/dbraw/zinc/08/45/20/153084520.db2.gz KOUMCWCJTZTJEQ-VIFPVBQESA-N 1 0 297.380 1.997 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000346224292 153103510 /nfs/dbraw/zinc/10/35/10/153103510.db2.gz NHPJGBDWYQVRFN-JTQLQIEISA-N 1 0 281.312 1.040 20 5 CDBDRO C[C@H]1[NH2+]CCN(Cc2csc([N+](=O)[O-])c2)[C@@H]1C ZINC000346633517 153251056 /nfs/dbraw/zinc/25/10/56/153251056.db2.gz FCQIEWMEQBMYMW-RKDXNWHRSA-N 1 0 255.343 1.839 20 5 CDBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C[C@H](C)O ZINC000352186318 155005040 /nfs/dbraw/zinc/00/50/40/155005040.db2.gz KZQVRQSNIIDSOF-JTQLQIEISA-N 1 0 268.313 1.806 20 5 CDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000354006127 156220285 /nfs/dbraw/zinc/22/02/85/156220285.db2.gz KRYRSVMFHPFFJV-LBPRGKRZSA-N 1 0 291.351 1.690 20 5 CDBDRO C[NH+](C)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000359298174 158205018 /nfs/dbraw/zinc/20/50/18/158205018.db2.gz SMDMNVWPMRCLNR-AWEZNQCLSA-N 1 0 291.351 1.594 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359472444 158257221 /nfs/dbraw/zinc/25/72/21/158257221.db2.gz LSURVESSMXGPPC-VDKLAZJHSA-N 1 0 273.336 1.759 20 5 CDBDRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000361077847 158721205 /nfs/dbraw/zinc/72/12/05/158721205.db2.gz DBJWAWRYRHKRDP-WDEREUQCSA-N 1 0 278.312 1.041 20 5 CDBDRO C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000362980688 159283086 /nfs/dbraw/zinc/28/30/86/159283086.db2.gz QUTWWGVKCLBHKQ-MDZLAQPJSA-N 1 0 291.351 1.970 20 5 CDBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284226004 196006850 /nfs/dbraw/zinc/00/68/50/196006850.db2.gz UULXXZYKIBCALQ-GFCCVEGCSA-N 1 0 297.311 2.000 20 5 CDBDRO C[NH+](C)CC(C)(C)CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000035084480 171972162 /nfs/dbraw/zinc/97/21/62/171972162.db2.gz GEQRDNNPCMTFTR-UHFFFAOYSA-N 1 0 294.355 1.693 20 5 CDBDRO CN1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000035677756 172348796 /nfs/dbraw/zinc/34/87/96/172348796.db2.gz MBLWNALJEFWODX-UHFFFAOYSA-N 1 0 263.341 1.821 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H](C)C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000037267718 173078826 /nfs/dbraw/zinc/07/88/26/173078826.db2.gz WNDCRTKXCVKENN-JTQLQIEISA-N 1 0 265.313 1.470 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000285945609 196448609 /nfs/dbraw/zinc/44/86/09/196448609.db2.gz GCFWHMLSXWXHRC-JRKPZEMJSA-N 1 0 292.339 1.293 20 5 CDBDRO Cc1cc(C(=O)NC[C@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000044491655 175181091 /nfs/dbraw/zinc/18/10/91/175181091.db2.gz YVUBEENFJUMUFC-GFCCVEGCSA-N 1 0 277.324 1.775 20 5 CDBDRO CC[C@H]([NH2+]C[C@@H](O)COC)c1cccc([N+](=O)[O-])c1 ZINC000071270549 176103898 /nfs/dbraw/zinc/10/38/98/176103898.db2.gz VLCDRUIJLIRHQL-OLZOCXBDSA-N 1 0 268.313 1.643 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000320761204 265027488 /nfs/dbraw/zinc/02/74/88/265027488.db2.gz BLRLEFIRACAMML-IJUHFESZSA-N 1 0 277.324 1.850 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C[C@@H](O)C[NH3+] ZINC000420362083 424584809 /nfs/dbraw/zinc/58/48/09/424584809.db2.gz YWZRNKUXVNYNSC-JQWIXIFHSA-N 1 0 267.329 1.216 20 5 CDBDRO CC[NH+]1CCN([C@H](C)CNc2ncc([N+](=O)[O-])s2)CC1 ZINC000190316561 270283230 /nfs/dbraw/zinc/28/32/30/270283230.db2.gz OFTKOECNBSTDAG-SNVBAGLBSA-N 1 0 299.400 1.489 20 5 CDBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H](C)O ZINC000395446626 270343281 /nfs/dbraw/zinc/34/32/81/270343281.db2.gz XNVWVDKTRCXDNY-PELKAZGASA-N 1 0 256.277 1.983 20 5 CDBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1C[NH3+] ZINC000397376066 270349931 /nfs/dbraw/zinc/34/99/31/270349931.db2.gz IPOHUBBTTBJJFD-OPRDCNLKSA-N 1 0 280.328 1.368 20 5 CDBDRO [NH3+][C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000399163185 270369805 /nfs/dbraw/zinc/36/98/05/270369805.db2.gz DETSADQWATUUHA-GFCCVEGCSA-N 1 0 263.297 1.338 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000266445746 274118430 /nfs/dbraw/zinc/11/84/30/274118430.db2.gz WRUIMRUVIZZUEG-LBPRGKRZSA-N 1 0 295.339 1.370 20 5 CDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ncc([N+](=O)[O-])cn1 ZINC000273559802 274335220 /nfs/dbraw/zinc/33/52/20/274335220.db2.gz BIZCKMONUAWHGO-MWLCHTKSSA-N 1 0 265.317 1.161 20 5 CDBDRO [NH3+][C@@H]1Cc2ccccc2N(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000420402325 274960588 /nfs/dbraw/zinc/96/05/88/274960588.db2.gz LZBRVRVTMNHFFP-GFCCVEGCSA-N 1 0 287.323 1.181 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH+]3CCCC3)CC2)nc1 ZINC000273612624 275040865 /nfs/dbraw/zinc/04/08/65/275040865.db2.gz MJBBFZIFXBHCDD-LBPRGKRZSA-N 1 0 291.355 1.840 20 5 CDBDRO CC[N@@H+]1CCCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000265148789 276165266 /nfs/dbraw/zinc/16/52/66/276165266.db2.gz AVISKPHKCDLGOS-UHFFFAOYSA-N 1 0 264.329 1.830 20 5 CDBDRO CCC(CC)(C[NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000165301009 276208727 /nfs/dbraw/zinc/20/87/27/276208727.db2.gz YOBWWMZNUFFVQH-UHFFFAOYSA-N 1 0 279.340 1.976 20 5 CDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC000192482539 277197546 /nfs/dbraw/zinc/19/75/46/277197546.db2.gz WRIOSURLNVDMHE-AOOOYVTPSA-N 1 0 293.298 1.368 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000127698795 277285013 /nfs/dbraw/zinc/28/50/13/277285013.db2.gz UHPDVEPCZXFRAF-GFCCVEGCSA-N 1 0 277.324 1.727 20 5 CDBDRO C[NH2+][C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000053204774 277295192 /nfs/dbraw/zinc/29/51/92/277295192.db2.gz HYLMKSASHIWCPJ-SNVBAGLBSA-N 1 0 253.277 1.922 20 5 CDBDRO C[NH2+][C@@H]1CCCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000070496589 277295368 /nfs/dbraw/zinc/29/53/68/277295368.db2.gz LQUDMTCOBFAMOK-SNVBAGLBSA-N 1 0 250.302 1.486 20 5 CDBDRO CO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000167218922 277742131 /nfs/dbraw/zinc/74/21/31/277742131.db2.gz GHXHGIJXPNSKSB-OLZOCXBDSA-N 1 0 293.323 1.173 20 5 CDBDRO C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000400457711 278348817 /nfs/dbraw/zinc/34/88/17/278348817.db2.gz SXIWMFSTNYSQPZ-RISCZKNCSA-N 1 0 263.341 1.867 20 5 CDBDRO CC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)COC1 ZINC000447536827 278463366 /nfs/dbraw/zinc/46/33/66/278463366.db2.gz QHVRAGQJHXCPPL-NWDGAFQWSA-N 1 0 294.355 1.901 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H](C[NH3+])C1 ZINC000235315501 278541578 /nfs/dbraw/zinc/54/15/78/278541578.db2.gz SOSQDORLZQMOPB-BDAKNGLRSA-N 1 0 266.301 1.122 20 5 CDBDRO Cc1cc(N2CC([NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000292612442 278706756 /nfs/dbraw/zinc/70/67/56/278706756.db2.gz MZRSNVBOXYVDHU-UHFFFAOYSA-N 1 0 253.277 1.793 20 5 CDBDRO CC[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090552107 279279334 /nfs/dbraw/zinc/27/93/34/279279334.db2.gz ULPOUZVRMIHGGA-LLVKDONJSA-N 1 0 265.313 1.488 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417764062 279287820 /nfs/dbraw/zinc/28/78/20/279287820.db2.gz LQZKUOKFBYFTNA-SNVBAGLBSA-N 1 0 280.328 1.031 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@H]2CO)cc1 ZINC000230677932 280118020 /nfs/dbraw/zinc/11/80/20/280118020.db2.gz VIHFRWVTBSCTGN-AAEUAGOBSA-N 1 0 250.298 1.845 20 5 CDBDRO CCN1C[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000391563184 280681217 /nfs/dbraw/zinc/68/12/17/280681217.db2.gz BBRHFVBKKPLNGY-JQWIXIFHSA-N 1 0 277.324 1.866 20 5 CDBDRO COC[C@](C)(O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532498939 281991600 /nfs/dbraw/zinc/99/16/00/281991600.db2.gz WBXVNNIPVRWVJS-BXUZGUMPSA-N 1 0 282.340 1.951 20 5 CDBDRO CNC(=O)CCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000564341343 293346902 /nfs/dbraw/zinc/34/69/02/293346902.db2.gz BGBKMAVKNRYNJX-UHFFFAOYSA-N 1 0 279.340 1.595 20 5 CDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1c([N+](=O)[O-])ncn1C ZINC000568309880 294014770 /nfs/dbraw/zinc/01/47/70/294014770.db2.gz ZEJKOCPRSPOQPP-QWRGUYRKSA-N 1 0 279.344 1.391 20 5 CDBDRO O=c1c2cc([N+](=O)[O-])sc2ncn1CC[C@H]1CC[NH2+]C1 ZINC000571204412 294389450 /nfs/dbraw/zinc/38/94/50/294389450.db2.gz VKPKRBLPJMFONT-MRVPVSSYSA-N 1 0 294.336 1.366 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H](C[NH3+])C2)n1 ZINC000572348420 294603583 /nfs/dbraw/zinc/60/35/83/294603583.db2.gz HSDKONPWNWKCHU-NSHDSACASA-N 1 0 264.329 1.782 20 5 CDBDRO C[C@@H](O)CCC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000574204778 294964505 /nfs/dbraw/zinc/96/45/05/294964505.db2.gz MPNJQDYPOBALDA-NEPJUHHUSA-N 1 0 298.339 1.085 20 5 CDBDRO CS[C@@H]1CN(c2nc(C)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270375188 295651170 /nfs/dbraw/zinc/65/11/70/295651170.db2.gz NVVQYJXICAPWPL-VXGBXAGGSA-N 1 0 296.396 1.780 20 5 CDBDRO C[N@@H+]1CC[C@@H](c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)C1 ZINC000350160105 316150476 /nfs/dbraw/zinc/15/04/76/316150476.db2.gz LJKCVNSQHJPGDR-SECBINFHSA-N 1 0 289.295 1.383 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000569689974 316828175 /nfs/dbraw/zinc/82/81/75/316828175.db2.gz CIXNNEIAUIYTHI-CHWSQXEVSA-N 1 0 277.324 1.599 20 5 CDBDRO C[C@H](C[S@](C)=O)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000185122186 323383338 /nfs/dbraw/zinc/38/33/38/323383338.db2.gz KSGJAMAUXNEQMV-WYRIXSBYSA-N 1 0 284.381 1.836 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000382381956 323638270 /nfs/dbraw/zinc/63/82/70/323638270.db2.gz RMUDQFDJMIOZRC-JTQLQIEISA-N 1 0 265.313 1.381 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H]2C[NH2+]CCCO2)ccc1[N+](=O)[O-] ZINC000389969960 323814078 /nfs/dbraw/zinc/81/40/78/323814078.db2.gz HKGVXSGHTHPYBJ-LBPRGKRZSA-N 1 0 293.323 1.012 20 5 CDBDRO CC(C)Oc1nc(NCC2([NH3+])CCC2)ccc1[N+](=O)[O-] ZINC000579608562 324234477 /nfs/dbraw/zinc/23/44/77/324234477.db2.gz WKZDCDDYZBMMSQ-UHFFFAOYSA-N 1 0 280.328 1.492 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000580047976 324350211 /nfs/dbraw/zinc/35/02/11/324350211.db2.gz FVJCFYQLSSVGPX-KCJUWKMLSA-N 1 0 266.276 1.269 20 5 CDBDRO C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000580143463 324377142 /nfs/dbraw/zinc/37/71/42/324377142.db2.gz XIKYARVMXARTEY-RYUDHWBXSA-N 1 0 291.351 1.766 20 5 CDBDRO CNc1ccc(C(=O)NC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000580773071 324557139 /nfs/dbraw/zinc/55/71/39/324557139.db2.gz VUSSMUPCJYBWPE-SNVBAGLBSA-N 1 0 280.328 1.350 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(C[NH+](C)C)CC1 ZINC000582760367 325037431 /nfs/dbraw/zinc/03/74/31/325037431.db2.gz LETWNUAMAAMJAU-UHFFFAOYSA-N 1 0 295.387 1.898 20 5 CDBDRO CC[NH2+]CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000584102279 326955581 /nfs/dbraw/zinc/95/55/81/326955581.db2.gz MAQQYQDXTIOILW-UHFFFAOYSA-N 1 0 266.301 1.004 20 5 CDBDRO COc1ccc(C(=O)NCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000036263081 329508700 /nfs/dbraw/zinc/50/87/00/329508700.db2.gz AWPIQUPTMHOJKQ-UHFFFAOYSA-N 1 0 293.323 1.475 20 5 CDBDRO CCOc1ccc(C(=O)N2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000236902115 520897407 /nfs/dbraw/zinc/89/74/07/520897407.db2.gz HXCVUDGDDHIBAS-JTQLQIEISA-N 1 0 293.323 1.427 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000148849882 522073328 /nfs/dbraw/zinc/07/33/28/522073328.db2.gz ZMBMSFFEPAOZIQ-QMMMGPOBSA-N 1 0 269.276 1.319 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000237579132 524307007 /nfs/dbraw/zinc/30/70/07/524307007.db2.gz FHWYPBGKVMJZKH-SECBINFHSA-N 1 0 292.339 1.494 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000235509406 524848316 /nfs/dbraw/zinc/84/83/16/524848316.db2.gz ZAGMXZSWXHIPQS-JGVFFNPUSA-N 1 0 270.720 1.817 20 5 CDBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000070149053 527191814 /nfs/dbraw/zinc/19/18/14/527191814.db2.gz OPRKHUIAOGRQNW-ZDUSSCGKSA-N 1 0 291.351 1.867 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC1C[NH2+]C1 ZINC000415655743 535429352 /nfs/dbraw/zinc/42/93/52/535429352.db2.gz KMIYXXSHPWLVOU-UHFFFAOYSA-N 1 0 294.311 1.334 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261699224 535968902 /nfs/dbraw/zinc/96/89/02/535968902.db2.gz IJEDCRMQPLGICI-GHMZBOCLSA-N 1 0 279.344 1.165 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C1 ZINC000422715546 536373777 /nfs/dbraw/zinc/37/37/77/536373777.db2.gz SJZWCIOTCJDLAK-LLVKDONJSA-N 1 0 293.323 1.346 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)CC[NH3+] ZINC000417169034 536954151 /nfs/dbraw/zinc/95/41/51/536954151.db2.gz BHYWNTQSSPSPTG-VIFPVBQESA-N 1 0 296.327 1.140 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](CO)C2CC2)cc1 ZINC000771813444 575617664 /nfs/dbraw/zinc/61/76/64/575617664.db2.gz PIEKKMLXYJHLHY-ZDUSSCGKSA-N 1 0 266.297 1.334 20 5 CDBDRO CC1(CO)CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000762626474 576659147 /nfs/dbraw/zinc/65/91/47/576659147.db2.gz WDOVJMOFSHQSBR-CQSZACIVSA-N 1 0 294.351 1.723 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2cccnc2)c1 ZINC000749644972 576956638 /nfs/dbraw/zinc/95/66/38/576956638.db2.gz GHYDQXBHDZYGRJ-AWEZNQCLSA-N 1 0 273.292 1.813 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2COCO2)cc1 ZINC000894880344 619116448 /nfs/dbraw/zinc/11/64/48/619116448.db2.gz CAFJVJCEHKVJJG-LBPRGKRZSA-N 1 0 252.270 1.100 20 5 CDBDRO CCC[C@@H]1CN(c2c([N+](=O)[O-])c(C)nn2CC)CC[NH2+]1 ZINC000895058217 619242812 /nfs/dbraw/zinc/24/28/12/619242812.db2.gz KBBUWQBLZCEMAV-LLVKDONJSA-N 1 0 281.360 1.698 20 5 CDBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)[C@@H]1C[N@H+](C)CCN1C ZINC000895250051 619490866 /nfs/dbraw/zinc/49/08/66/619490866.db2.gz ZVCSEJRMWFXSEU-SKDRFNHKSA-N 1 0 297.334 1.175 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2C(=O)NCC2(C)C)cc1[N+](=O)[O-] ZINC000895317842 619550127 /nfs/dbraw/zinc/55/01/27/619550127.db2.gz ZAYUUTDAPTXYRF-LBPRGKRZSA-N 1 0 293.323 1.218 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@H]2C[C@H](CO)C2)n1 ZINC000927148635 621877410 /nfs/dbraw/zinc/87/74/10/621877410.db2.gz TUBZERHQBNUBFG-LPWJVIDDSA-N 1 0 294.355 1.636 20 5 CDBDRO Cc1cc(=O)n(C[C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000899630678 622337910 /nfs/dbraw/zinc/33/79/10/622337910.db2.gz TZWOBQFFDPSBLQ-NSHDSACASA-N 1 0 265.313 1.455 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCc1ccc(F)c(Br)c1 ZINC000899873309 622503014 /nfs/dbraw/zinc/50/30/14/622503014.db2.gz MMFBAAFGMCSODV-UHFFFAOYSA-N 1 0 291.120 1.997 20 5 CDBDRO Cc1nc2ccccc2n1CCC[NH2+]CC[N+](=O)[O-] ZINC000905047856 626385354 /nfs/dbraw/zinc/38/53/54/626385354.db2.gz HLAKIBZHUKGXCP-UHFFFAOYSA-N 1 0 262.313 1.601 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNCC[N+](=O)[O-])[C@H]1c1cccs1 ZINC000905133055 626647361 /nfs/dbraw/zinc/64/73/61/626647361.db2.gz OTWUDNPJIBABAE-AAEUAGOBSA-N 1 0 283.397 1.997 20 5 CDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000905133641 626647974 /nfs/dbraw/zinc/64/79/74/626647974.db2.gz QXSHEIHIBAHEEM-UKRRQHHQSA-N 1 0 293.367 1.142 20 5 CDBDRO COc1cccc(O[C@@H](C)C[NH2+]CC[N+](=O)[O-])c1 ZINC000905137400 626651269 /nfs/dbraw/zinc/65/12/69/626651269.db2.gz MURCCWVVVRSIAD-JTQLQIEISA-N 1 0 254.286 1.329 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)c1cc2ccccc2s1 ZINC000905352432 626764457 /nfs/dbraw/zinc/76/44/57/626764457.db2.gz ZHHGDBNIOMZMAR-SNVBAGLBSA-N 1 0 266.322 1.801 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000911734814 629455821 /nfs/dbraw/zinc/45/58/21/629455821.db2.gz PCPHEJDAZVVJGW-VIFPVBQESA-N 1 0 295.364 1.738 20 5 CDBDRO [NH3+][C@@H](CC1CC1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000311859832 679567217 /nfs/dbraw/zinc/56/72/17/679567217.db2.gz QHAXZVXPQMHLKB-NSHDSACASA-N 1 0 263.297 1.338 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000818006996 677757905 /nfs/dbraw/zinc/75/79/05/677757905.db2.gz UOMOEJNIYXLQEJ-NSHDSACASA-N 1 0 280.328 1.280 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)c2ccc(F)cc2)c1 ZINC000819178011 677903685 /nfs/dbraw/zinc/90/36/85/677903685.db2.gz YMYOWKXAZPLNMJ-ZDUSSCGKSA-N 1 0 294.286 1.254 20 5 CDBDRO C[NH+](C)C[C@@H](O)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000031576074 677868698 /nfs/dbraw/zinc/86/86/98/677868698.db2.gz HHJBUEKMKKWJRF-VIFPVBQESA-N 1 0 273.720 1.583 20 5 CDBDRO CC1CC(CNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870958417 677879146 /nfs/dbraw/zinc/87/91/46/677879146.db2.gz BWPOUQQEQMNRMD-QKFMDRJYSA-N 1 0 291.351 1.931 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]([NH3+])CC1CC1)CC2 ZINC000884331471 677933225 /nfs/dbraw/zinc/93/32/25/677933225.db2.gz OMDIZSQWRFHWBN-GFCCVEGCSA-N 1 0 289.335 1.920 20 5 CDBDRO CC[NH2+]CCCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817943186 678017314 /nfs/dbraw/zinc/01/73/14/678017314.db2.gz KRJAWIVSZZFPQN-SNVBAGLBSA-N 1 0 266.345 1.827 20 5 CDBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839561757 678065710 /nfs/dbraw/zinc/06/57/10/678065710.db2.gz XGGVCYNVOLOJMP-QJPTWQEYSA-N 1 0 271.361 1.278 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000700608563 678068790 /nfs/dbraw/zinc/06/87/90/678068790.db2.gz KAIKIWKCJJWDCF-SNVBAGLBSA-N 1 0 283.715 1.715 20 5 CDBDRO Cn1ccc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819226144 678111959 /nfs/dbraw/zinc/11/19/59/678111959.db2.gz AMCSADWMZRUNSV-CQSZACIVSA-N 1 0 290.323 1.194 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886838310 678121538 /nfs/dbraw/zinc/12/15/38/678121538.db2.gz VHJFDDZYLFQANG-VHSXEESVSA-N 1 0 250.302 1.172 20 5 CDBDRO Cc1c(-c2noc(C3(C[NH3+])CC3)n2)cccc1[N+](=O)[O-] ZINC000843237807 678126601 /nfs/dbraw/zinc/12/66/01/678126601.db2.gz HPDQEAHJLREYNK-UHFFFAOYSA-N 1 0 274.280 1.944 20 5 CDBDRO Cc1c(C[NH2+][C@@H](C)C(=O)NCCF)cccc1[N+](=O)[O-] ZINC000873121525 678128983 /nfs/dbraw/zinc/12/89/83/678128983.db2.gz JCMMYJQZXJIEAE-JTQLQIEISA-N 1 0 283.303 1.467 20 5 CDBDRO C[C@H]1CCN(Cc2cccnc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000886840124 678156269 /nfs/dbraw/zinc/15/62/69/678156269.db2.gz UDAGYMLULVZYCF-JQWIXIFHSA-N 1 0 264.329 1.407 20 5 CDBDRO CON1CCC([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000817588357 678157392 /nfs/dbraw/zinc/15/73/92/678157392.db2.gz OFQIJSGQINWJDK-JTQLQIEISA-N 1 0 294.355 1.853 20 5 CDBDRO C[C@@H]1COC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000932499689 678191302 /nfs/dbraw/zinc/19/13/02/678191302.db2.gz JRPIHAUJMGGSJK-GHMZBOCLSA-N 1 0 266.297 1.598 20 5 CDBDRO COc1cccc(C2([NH2+]CC[N+](=O)[O-])CCC2)c1 ZINC000931064143 679679946 /nfs/dbraw/zinc/67/99/46/679679946.db2.gz NAPGJSTWOVVAOK-UHFFFAOYSA-N 1 0 250.298 1.941 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1F ZINC000718175907 677724107 /nfs/dbraw/zinc/72/41/07/677724107.db2.gz YHODJMJJKAUAHA-PHIMTYICSA-N 1 0 266.272 1.812 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000923381977 677793358 /nfs/dbraw/zinc/79/33/58/677793358.db2.gz WQDXNWRXOOONGE-GJZGRUSLSA-N 1 0 291.351 1.456 20 5 CDBDRO C[N@@H+]1C[C@H]2CCN(Cc3cccnc3[N+](=O)[O-])[C@@H]2C1 ZINC000886216175 677845612 /nfs/dbraw/zinc/84/56/12/677845612.db2.gz YOBIZMFKPFXBOL-ZYHUDNBSSA-N 1 0 262.313 1.126 20 5 CDBDRO [NH2+]=C(NCCOc1ccc([N+](=O)[O-])cc1)NC1CCC1 ZINC000849007585 678036574 /nfs/dbraw/zinc/03/65/74/678036574.db2.gz YTCHWYJUGCVMCI-UHFFFAOYSA-N 1 0 278.312 1.640 20 5 CDBDRO CC[C@H](CO)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830348432 678047609 /nfs/dbraw/zinc/04/76/09/678047609.db2.gz GDGPACGPJBMAQG-DGCLKSJQSA-N 1 0 268.313 1.331 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCCC[C@@H]2CO)cc1 ZINC000776579262 678102660 /nfs/dbraw/zinc/10/26/60/678102660.db2.gz LGVQOERTMXKKCC-ZIAGYGMSSA-N 1 0 280.324 1.475 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(Cn3nccc3[N+](=O)[O-])CC[C@@H]21 ZINC000164754456 678157842 /nfs/dbraw/zinc/15/78/42/678157842.db2.gz HBHNNMFBTHPEDP-NEPJUHHUSA-N 1 0 279.344 1.165 20 5 CDBDRO O=C1NCCN1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000886323689 678235884 /nfs/dbraw/zinc/23/58/84/678235884.db2.gz FROXHOQTRDVWNY-UHFFFAOYSA-N 1 0 298.730 1.363 20 5 CDBDRO Nc1ccc(-c2noc(C[C@@H]3CCC[NH2+]3)n2)cc1[N+](=O)[O-] ZINC000843169398 678274450 /nfs/dbraw/zinc/27/44/50/678274450.db2.gz FONULLOOPXZYOS-VIFPVBQESA-N 1 0 289.295 1.522 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)n1 ZINC000879529504 678295160 /nfs/dbraw/zinc/29/51/60/678295160.db2.gz QCBMEJJXJKNTEO-TXEJJXNPSA-N 1 0 262.313 1.689 20 5 CDBDRO O=[N+]([O-])c1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000107571270 678348954 /nfs/dbraw/zinc/34/89/54/678348954.db2.gz URGNPGPYUPCIBJ-RKDXNWHRSA-N 1 0 267.716 1.904 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819059958 678350880 /nfs/dbraw/zinc/35/08/80/678350880.db2.gz JGFAEQPIMGZECP-SMDDNHRTSA-N 1 0 281.356 1.558 20 5 CDBDRO CN(CC[NH3+])Cc1cc([N+](=O)[O-])ccc1Br ZINC000923380541 678362543 /nfs/dbraw/zinc/36/25/43/678362543.db2.gz XWPHGOAFPXYJNJ-UHFFFAOYSA-N 1 0 288.145 1.748 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCSC2)c1 ZINC000819117287 678387730 /nfs/dbraw/zinc/38/77/30/678387730.db2.gz DLGYPSJASXSBFX-ZYHUDNBSSA-N 1 0 268.338 1.723 20 5 CDBDRO O=[N+]([O-])c1c(F)nccc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000881845178 678395955 /nfs/dbraw/zinc/39/59/55/678395955.db2.gz GYVBJSVYCJYCHC-QMMMGPOBSA-N 1 0 266.276 1.778 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000825196380 678406481 /nfs/dbraw/zinc/40/64/81/678406481.db2.gz FOVFRHHYELDIQE-ONGXEEELSA-N 1 0 295.314 1.900 20 5 CDBDRO Nc1ccc(C(=O)N[C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000818002240 678437896 /nfs/dbraw/zinc/43/78/96/678437896.db2.gz XNOMMTBIQPKPJT-GFCCVEGCSA-N 1 0 292.339 1.424 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+]1C ZINC000158930579 678469389 /nfs/dbraw/zinc/46/93/89/678469389.db2.gz FITRANKWPVMWEN-VHSXEESVSA-N 1 0 292.339 1.390 20 5 CDBDRO CC(C)(CCC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)[N+](=O)[O-] ZINC000823185961 678495297 /nfs/dbraw/zinc/49/52/97/678495297.db2.gz SPICPWNCCGPATG-CYBMUJFWSA-N 1 0 297.399 1.909 20 5 CDBDRO Cn1cc([C@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000877072823 678545781 /nfs/dbraw/zinc/54/57/81/678545781.db2.gz WETDGKULUCOIGI-CQSZACIVSA-N 1 0 290.323 1.194 20 5 CDBDRO CC(=O)c1ccc(N2CC[NH2+]C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000842312397 678553692 /nfs/dbraw/zinc/55/36/92/678553692.db2.gz ISWAIIQRCZLIKH-UHFFFAOYSA-N 1 0 277.324 1.986 20 5 CDBDRO C[C@H](CC(N)=O)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788631843 678564561 /nfs/dbraw/zinc/56/45/61/678564561.db2.gz OBORSKGQCMSTAN-SFYZADRCSA-N 1 0 266.301 1.092 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000839200938 678588980 /nfs/dbraw/zinc/58/89/80/678588980.db2.gz KXHNVDVGRZYLIK-CMPLNLGQSA-N 1 0 270.260 1.237 20 5 CDBDRO C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000886839721 678589397 /nfs/dbraw/zinc/58/93/97/678589397.db2.gz KZNUUPUVEPGJHH-NXEZZACHSA-N 1 0 250.302 1.172 20 5 CDBDRO [NH3+]CCCCCC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000829125519 678697009 /nfs/dbraw/zinc/69/70/09/678697009.db2.gz PJFWVOUXTXINMG-UHFFFAOYSA-N 1 0 295.339 1.609 20 5 CDBDRO C[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000823055719 678732949 /nfs/dbraw/zinc/73/29/49/678732949.db2.gz RQUZINXSMLIZDI-SNVBAGLBSA-N 1 0 271.361 1.421 20 5 CDBDRO O=[N+]([O-])c1cccc(-c2noc([C@]3(F)CC[NH2+]C3)n2)c1 ZINC000842568528 678733963 /nfs/dbraw/zinc/73/39/63/678733963.db2.gz RXSYJWJTEWCXHG-LBPRGKRZSA-N 1 0 278.243 1.803 20 5 CDBDRO O=C(N[C@H]1CC[NH2+]C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000058233131 678831303 /nfs/dbraw/zinc/83/13/03/678831303.db2.gz BRRPLIOWDUREQG-QMMMGPOBSA-N 1 0 269.688 1.340 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000886833337 678871243 /nfs/dbraw/zinc/87/12/43/678871243.db2.gz WYSVKFWWWMTMNV-LBPRGKRZSA-N 1 0 262.313 1.316 20 5 CDBDRO CCOCC[N@H+](CC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583129 678912370 /nfs/dbraw/zinc/91/23/70/678912370.db2.gz XFSTVHLIXRWMBE-CQSZACIVSA-N 1 0 282.340 1.987 20 5 CDBDRO C[NH2+]CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841855656 678925335 /nfs/dbraw/zinc/92/53/35/678925335.db2.gz LFVHQCOVNAFOHD-UHFFFAOYSA-N 1 0 286.719 1.267 20 5 CDBDRO CCCN(CC[NH+](C)C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823124630 678930096 /nfs/dbraw/zinc/93/00/96/678930096.db2.gz OFCHFOCGRLKMJU-UHFFFAOYSA-N 1 0 273.377 1.622 20 5 CDBDRO C[C@H]1C[C@@H](C(=O)N(C)c2ccc([N+](=O)[O-])nc2)CC[N@@H+]1C ZINC000890343180 678940979 /nfs/dbraw/zinc/94/09/79/678940979.db2.gz PNEQDLXUTWOYDQ-QWRGUYRKSA-N 1 0 292.339 1.683 20 5 CDBDRO C[C@@H](C[NH3+])N(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843349985 678959257 /nfs/dbraw/zinc/95/92/57/678959257.db2.gz BKJDLDOWOIIRJT-VIFPVBQESA-N 1 0 298.318 1.342 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3ncncc3C2)cc1 ZINC000880595656 678962524 /nfs/dbraw/zinc/96/25/24/678962524.db2.gz UBYJUYCKXMEKAR-UHFFFAOYSA-N 1 0 284.319 1.986 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3C[C@@H]3[NH3+])n2)c1 ZINC000823089812 678978180 /nfs/dbraw/zinc/97/81/80/678978180.db2.gz ZBFHBSWVXSXBQS-ZJUUUORDSA-N 1 0 290.279 1.392 20 5 CDBDRO C[NH+](C)CCOCCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804596676 678985339 /nfs/dbraw/zinc/98/53/39/678985339.db2.gz QVDPKVHRJDQKFM-UHFFFAOYSA-N 1 0 298.299 1.493 20 5 CDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000832008205 679009282 /nfs/dbraw/zinc/00/92/82/679009282.db2.gz XUKPSZWLRVXSKS-QWHCGFSZSA-N 1 0 297.399 1.907 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CC[C@H](CO)CC2)c1 ZINC000843078104 679045958 /nfs/dbraw/zinc/04/59/58/679045958.db2.gz LJOLXRJXHMHIDF-UXIGCNINSA-N 1 0 294.351 1.769 20 5 CDBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@](C)(O)C[NH+](C)C ZINC000808005732 679074522 /nfs/dbraw/zinc/07/45/22/679074522.db2.gz RZBORFUXMKVPDT-AWEZNQCLSA-N 1 0 295.339 1.522 20 5 CDBDRO C[C@H](NCC1C[NH2+]C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817964524 679080278 /nfs/dbraw/zinc/08/02/78/679080278.db2.gz BSWGVBDPLYJUIP-QMMMGPOBSA-N 1 0 250.302 1.047 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H](C)[NH3+] ZINC000706053198 679101724 /nfs/dbraw/zinc/10/17/24/679101724.db2.gz KYDHAKGWTWCVOJ-QMMMGPOBSA-N 1 0 267.285 1.023 20 5 CDBDRO C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000088059335 679103857 /nfs/dbraw/zinc/10/38/57/679103857.db2.gz WGLFUDKLYMALNY-SECBINFHSA-N 1 0 264.285 1.420 20 5 CDBDRO C[NH+](C)C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(F)cc1 ZINC000839771994 679135602 /nfs/dbraw/zinc/13/56/02/679135602.db2.gz YASXUJVSJMCHKD-FRRDWIJNSA-N 1 0 295.314 1.210 20 5 CDBDRO COC[C@](C)(CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000716812818 679139583 /nfs/dbraw/zinc/13/95/83/679139583.db2.gz RNMNZXJQFMOEEO-LBPRGKRZSA-N 1 0 288.731 1.735 20 5 CDBDRO O=C(NC1CN(CCC2=CCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001030294155 679173463 /nfs/dbraw/zinc/17/34/63/679173463.db2.gz YRZCIKKIAHDFBV-ZIAGYGMSSA-N 1 0 293.367 1.343 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@H](C)[NH3+] ZINC000859676613 679179247 /nfs/dbraw/zinc/17/92/47/679179247.db2.gz LJTQOPHBDIOIEJ-VIFPVBQESA-N 1 0 266.301 1.714 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000812328508 679182182 /nfs/dbraw/zinc/18/21/82/679182182.db2.gz DLWLGGROFPOWTD-OLZOCXBDSA-N 1 0 289.335 1.619 20 5 CDBDRO CC[NH+]1CCN(CCNc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881797489 679361125 /nfs/dbraw/zinc/36/11/25/679361125.db2.gz YFANQRNLWLTTIA-UHFFFAOYSA-N 1 0 297.334 1.178 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=S)NCC[NH+](C)C ZINC000007522098 679382472 /nfs/dbraw/zinc/38/24/72/679382472.db2.gz ZVUIVAVSKIWDOW-UHFFFAOYSA-N 1 0 298.368 1.451 20 5 CDBDRO [NH3+][C@H](CNc1nc2sccn2c1[N+](=O)[O-])C1CC1 ZINC000129302706 679386315 /nfs/dbraw/zinc/38/63/15/679386315.db2.gz BUENSJRCZXQUNN-SSDOTTSWSA-N 1 0 267.314 1.453 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876504652 679390604 /nfs/dbraw/zinc/39/06/04/679390604.db2.gz RWPAZAPVGFNJTQ-NSHDSACASA-N 1 0 277.324 1.646 20 5 CDBDRO C[C@@H]([NH3+])CN(C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000861562385 679409419 /nfs/dbraw/zinc/40/94/19/679409419.db2.gz PUPSAIXMKYTIMS-NXEZZACHSA-N 1 0 280.328 1.644 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000786980979 679419710 /nfs/dbraw/zinc/41/97/10/679419710.db2.gz ISVDGIQLCJOGJT-SNVBAGLBSA-N 1 0 292.339 1.201 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000706507251 679427098 /nfs/dbraw/zinc/42/70/98/679427098.db2.gz UQEFXEGXDYYNLO-UHFFFAOYSA-N 1 0 285.731 1.978 20 5 CDBDRO C[N@H+](CCCF)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000887136503 679434986 /nfs/dbraw/zinc/43/49/86/679434986.db2.gz VPHOZYNUBKPBEJ-LBPRGKRZSA-N 1 0 286.303 1.626 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000812331195 679448879 /nfs/dbraw/zinc/44/88/79/679448879.db2.gz CWLPTYFLHVPXJG-OLZOCXBDSA-N 1 0 289.335 1.619 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@H]1[NH3+] ZINC000818004356 679450335 /nfs/dbraw/zinc/45/03/35/679450335.db2.gz IAPVIZPLGFRKDT-BXKDBHETSA-N 1 0 292.339 1.080 20 5 CDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000930204325 679462383 /nfs/dbraw/zinc/46/23/83/679462383.db2.gz PWBCCFAVIASGJF-SNVBAGLBSA-N 1 0 277.324 1.962 20 5 CDBDRO CSCCCNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867956671 679483648 /nfs/dbraw/zinc/48/36/48/679483648.db2.gz WGJLBCOARRGTGG-ZDUSSCGKSA-N 1 0 297.380 1.638 20 5 CDBDRO C[C@@H]([NH3+])CN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000863565609 679494109 /nfs/dbraw/zinc/49/41/09/679494109.db2.gz OPUDYMFNFHOMFM-ZJUUUORDSA-N 1 0 280.328 1.201 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923412685 679501211 /nfs/dbraw/zinc/50/12/11/679501211.db2.gz KVDXPGRWKUIUFE-MBNYWOFBSA-N 1 0 277.324 1.064 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000931040547 679502161 /nfs/dbraw/zinc/50/21/61/679502161.db2.gz DWGITKTVYPAKEH-DFBGVHRSSA-N 1 0 293.367 1.653 20 5 CDBDRO COC(=O)CC(C)(C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178872505 679574366 /nfs/dbraw/zinc/57/43/66/679574366.db2.gz AFXALVCTLSMMCA-LBPRGKRZSA-N 1 0 296.323 1.560 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000818564833 679607946 /nfs/dbraw/zinc/60/79/46/679607946.db2.gz NTZSLODJVBOXNS-UWVGGRQHSA-N 1 0 295.314 1.852 20 5 CDBDRO C[C@]1(O)CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000791632748 679634245 /nfs/dbraw/zinc/63/42/45/679634245.db2.gz RDRVAZGHNFOKAN-CABCVRRESA-N 1 0 294.351 1.865 20 5 CDBDRO CC(C)(CCC(=O)N1CC[NH2+]C(C)(C)C1)[N+](=O)[O-] ZINC000826805149 679649477 /nfs/dbraw/zinc/64/94/77/679649477.db2.gz NHULIMJVCVPZBN-UHFFFAOYSA-N 1 0 257.334 1.032 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)CNCc2ccon2)c1 ZINC000819129493 679656200 /nfs/dbraw/zinc/65/62/00/679656200.db2.gz KCXMWBHLGZFXOI-LBPRGKRZSA-N 1 0 263.253 1.406 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H](C)CO)c([N+](=O)[O-])c1 ZINC001170308120 1162339755 /nfs/dbraw/zinc/33/97/55/1162339755.db2.gz KOUWAILVKZGWAH-QWRGUYRKSA-N 1 0 282.340 1.752 20 5 CDBDRO [NH3+]C[C@]1(F)CCN(c2cc(Cl)cc([N+](=O)[O-])n2)C1 ZINC001157812740 1162444311 /nfs/dbraw/zinc/44/43/11/1162444311.db2.gz GZVFMWOXCXXUPG-SNVBAGLBSA-N 1 0 274.683 1.520 20 5 CDBDRO COc1ccc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)nc1[N+](=O)[O-] ZINC001168809817 1161988958 /nfs/dbraw/zinc/98/89/58/1161988958.db2.gz VUQIZPFDZZDFRA-SECBINFHSA-N 1 0 289.295 1.000 20 5 CDBDRO [NH3+]CCc1nccn1-c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001156478038 1162023429 /nfs/dbraw/zinc/02/34/29/1162023429.db2.gz ABHRHGZZUNFKBP-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(-n2cc(C[NH3+])cn2)nc1Cl ZINC001157471561 1162107061 /nfs/dbraw/zinc/10/70/61/1162107061.db2.gz JQODEQXNVCMREB-UHFFFAOYSA-N 1 0 267.676 1.596 20 5 CDBDRO C[NH+]1CC2(CN(c3ccc4c(cccc4[N+](=O)[O-])n3)C2)C1 ZINC001158863810 1163726557 /nfs/dbraw/zinc/72/65/57/1163726557.db2.gz HFYWJLWTAUQXCO-UHFFFAOYSA-N 1 0 284.319 1.895 20 5 CDBDRO CN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC001159054515 1164037036 /nfs/dbraw/zinc/03/70/36/1164037036.db2.gz MJXZZHFDMAQURO-UHFFFAOYSA-N 1 0 269.261 1.072 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CO[C@H]1CCC[NH2+]C1 ZINC000051787239 1166744707 /nfs/dbraw/zinc/74/47/07/1166744707.db2.gz LCPLPFGULNLHGO-LBPRGKRZSA-N 1 0 266.297 1.872 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC12CC[NH2+]CC2 ZINC001573845203 1170801151 /nfs/dbraw/zinc/80/11/51/1170801151.db2.gz XLVOQEVKJZLDKD-UHFFFAOYSA-N 1 0 279.344 1.452 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC001573911112 1170825225 /nfs/dbraw/zinc/82/52/25/1170825225.db2.gz ZBJPKATVKYZSIJ-QMTHXVAHSA-N 1 0 290.323 1.575 20 5 CDBDRO C[C@@H](C(=O)N[C@@H]1C[NH2+]CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC001575071408 1171102428 /nfs/dbraw/zinc/10/24/28/1171102428.db2.gz XXXAJUNFLFQYFN-ZWNOBZJWSA-N 1 0 289.335 1.567 20 5 CDBDRO Cc1nc(NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001579864607 1172284259 /nfs/dbraw/zinc/28/42/59/1172284259.db2.gz YRRWTVNQGHLRIU-KWQFWETISA-N 1 0 282.275 1.184 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(OC[C@@H]2C[NH2+]C[C@H]2C)c1C ZINC001579877428 1172288440 /nfs/dbraw/zinc/28/84/40/1172288440.db2.gz NCCRPMLIWHZGBP-KCJUWKMLSA-N 1 0 265.313 1.841 20 5 CDBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2[C@H]3C[NH2+]C[C@H]32)s1 ZINC001580875102 1172558367 /nfs/dbraw/zinc/55/83/67/1172558367.db2.gz YIZRTHJOUIKRGX-BRPSZJMVSA-N 1 0 291.336 1.477 20 5 CDBDRO C[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@H]1C ZINC001590309857 1173347952 /nfs/dbraw/zinc/34/79/52/1173347952.db2.gz QVNNCAJMPHSFCR-IUCAKERBSA-N 1 0 288.311 1.615 20 5 CDBDRO Cc1cnc(NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000133778980 1175807774 /nfs/dbraw/zinc/80/77/74/1175807774.db2.gz WGDZUUQGKDTWAU-SNVBAGLBSA-N 1 0 250.302 1.852 20 5 CDBDRO Cc1ccc(C(=O)NCCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000405888320 1186580271 /nfs/dbraw/zinc/58/02/71/1186580271.db2.gz LEJIQJQNQMIPOX-UHFFFAOYSA-N 1 0 265.313 1.760 20 5 CDBDRO CO[C@H]1C[NH2+][C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000312061836 1186694712 /nfs/dbraw/zinc/69/47/12/1186694712.db2.gz BONFIMXQYKGEMU-KCJUWKMLSA-N 1 0 283.259 1.049 20 5 CDBDRO COc1cc(N2CCC[C@H]([NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC001165040558 721889932 /nfs/dbraw/zinc/88/99/32/721889932.db2.gz YYAWRONROVGMDL-JTQLQIEISA-N 1 0 280.328 1.529 20 5 CDBDRO C[C@H](CC[NH+](C)C)Nc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865477019 1164652631 /nfs/dbraw/zinc/65/26/31/1164652631.db2.gz MVMCLARMQROMQV-SECBINFHSA-N 1 0 285.319 1.978 20 5 CDBDRO O=[N+]([O-])c1cccc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)n1 ZINC001155523367 1167211971 /nfs/dbraw/zinc/21/19/71/1167211971.db2.gz PRXWGVHSWSUMDR-MXWKQRLJSA-N 1 0 278.312 1.026 20 5 CDBDRO Cc1cc(C(=O)N2CC[NH2+][C@H]3C[C@H]32)cc([N+](=O)[O-])c1 ZINC001579558208 1167704970 /nfs/dbraw/zinc/70/49/70/1167704970.db2.gz SRGQMLZXGDLLAB-NWDGAFQWSA-N 1 0 261.281 1.090 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCCO)c1F ZINC001173175608 912281886 /nfs/dbraw/zinc/28/18/86/912281886.db2.gz PVSKXCYTOMOEMM-SECBINFHSA-N 1 0 286.303 1.646 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001173223574 912310350 /nfs/dbraw/zinc/31/03/50/912310350.db2.gz AZHHJAAXSSAXJO-WCQYABFASA-N 1 0 291.351 1.723 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C(N)=O ZINC001173225051 912316199 /nfs/dbraw/zinc/31/61/99/912316199.db2.gz BDJNBCKMCZHNRM-FZMZJTMJSA-N 1 0 291.351 1.866 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC001173227642 912319703 /nfs/dbraw/zinc/31/97/03/912319703.db2.gz RPYZSVLKRRAKPL-ZYHUDNBSSA-N 1 0 277.324 1.333 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1COCCN1C ZINC001173232629 912324308 /nfs/dbraw/zinc/32/43/08/912324308.db2.gz FCVGBTQRICEJSM-IUODEOHRSA-N 1 0 293.367 1.446 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1NCC(C)(C)C[NH+](C)C ZINC001168767655 912803464 /nfs/dbraw/zinc/80/34/64/912803464.db2.gz HMDJESXTROYIKG-UHFFFAOYSA-N 1 0 282.344 1.998 20 5 CDBDRO CN(CCOCC[NH3+])Cc1cc(F)ccc1[N+](=O)[O-] ZINC000699260888 913650359 /nfs/dbraw/zinc/65/03/59/913650359.db2.gz QEGFADDBARCYTF-UHFFFAOYSA-N 1 0 271.292 1.141 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@@H]1CCC[NH2+]C1 ZINC001218279089 898586345 /nfs/dbraw/zinc/58/63/45/898586345.db2.gz MSSOERNRTPMACB-SNVBAGLBSA-N 1 0 280.280 1.512 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000169048940 919275382 /nfs/dbraw/zinc/27/53/82/919275382.db2.gz NCMLVSQIQUTQHI-LURJTMIESA-N 1 0 259.697 1.400 20 5 CDBDRO COc1ccnc(NCCCC[NH+](C)C)c1[N+](=O)[O-] ZINC001161724287 921435028 /nfs/dbraw/zinc/43/50/28/921435028.db2.gz FQTUDAWNNKZRES-UHFFFAOYSA-N 1 0 268.317 1.752 20 5 CDBDRO CC(C)N1CC(Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)C1 ZINC001168314374 908985356 /nfs/dbraw/zinc/98/53/56/908985356.db2.gz MKQRUDWJKSYRKT-UHFFFAOYSA-N 1 0 276.340 1.703 20 5 CDBDRO CCOC(=O)[C@@H]1CC[C@@H](OCCC[N+](C)(C)C)CO1 ZINC001224622702 909980329 /nfs/dbraw/zinc/98/03/29/909980329.db2.gz IXONLSMBHRSAJP-OLZOCXBDSA-N 1 0 274.381 1.210 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)c1cc([N+](=O)[O-])ccc1NC ZINC001328219100 936632128 /nfs/dbraw/zinc/63/21/28/936632128.db2.gz DDLMQNWRNOPSCN-UHFFFAOYSA-N 1 0 294.355 1.884 20 5 CDBDRO CN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])C1C[NH2+]C1 ZINC001166978122 925384734 /nfs/dbraw/zinc/38/47/34/925384734.db2.gz LCJBKOOXDIWKOR-UHFFFAOYSA-N 1 0 277.111 1.705 20 5 CDBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001155020649 926403336 /nfs/dbraw/zinc/40/33/36/926403336.db2.gz NESLHXBLROWYEA-QWRGUYRKSA-N 1 0 280.328 1.276 20 5 CDBDRO C[C@@H]1C[C@@H](CNc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C[NH2+]1 ZINC001155101242 926534761 /nfs/dbraw/zinc/53/47/61/926534761.db2.gz RMVFIRWNTGICDG-HTQZYQBOSA-N 1 0 281.272 1.308 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001155468184 926849383 /nfs/dbraw/zinc/84/93/83/926849383.db2.gz BYXNBRKEAZCFRH-SECBINFHSA-N 1 0 296.302 1.309 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccccc2F)C1 ZINC001168977026 927563652 /nfs/dbraw/zinc/56/36/52/927563652.db2.gz GZAADHHKTKMHBC-JTNHKYCSSA-N 1 0 282.315 1.894 20 5 CDBDRO COc1ccc(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1O ZINC001168966064 927589631 /nfs/dbraw/zinc/58/96/31/927589631.db2.gz GAUDYDGQPBVNOX-OLZOCXBDSA-N 1 0 294.351 1.978 20 5 CDBDRO Cc1ncc(CO)c(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1O ZINC001168973452 927595909 /nfs/dbraw/zinc/59/59/09/927595909.db2.gz OTRYQGIZXHUXIV-JQWIXIFHSA-N 1 0 295.339 1.123 20 5 CDBDRO COC(=O)c1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)nc1 ZINC001168991375 927599309 /nfs/dbraw/zinc/59/93/09/927599309.db2.gz GMZHJQDFDYOKJA-PWSUYJOCSA-N 1 0 293.323 1.403 20 5 CDBDRO O=C(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)Nc1ccc(F)cc1 ZINC001168995030 927600228 /nfs/dbraw/zinc/60/02/28/927600228.db2.gz RBMBVUJAPRGCEN-GWCFXTLKSA-N 1 0 295.314 1.799 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H]2CCN(c3cnccn3)C2)C1 ZINC001168996618 927602489 /nfs/dbraw/zinc/60/24/89/927602489.db2.gz WLGVYYYZNLNBTH-YNEHKIRRSA-N 1 0 291.355 1.090 20 5 CDBDRO COc1ccccc1[C@@H](CO)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169002744 927606372 /nfs/dbraw/zinc/60/63/72/927606372.db2.gz MCWVOSJAMFRICE-OUCADQQQSA-N 1 0 294.351 1.764 20 5 CDBDRO C[N@H+](Cc1ncccn1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169008072 927612653 /nfs/dbraw/zinc/61/26/53/927612653.db2.gz RKJOHHCILYGVNQ-MNOVXSKESA-N 1 0 250.302 1.354 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(CCOC3)C2)C1 ZINC001169011511 927616565 /nfs/dbraw/zinc/61/65/65/927616565.db2.gz KMRUYXSOIKUPIW-AGIUHOORSA-N 1 0 254.330 1.544 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](CO)CC2)C1 ZINC001169011312 927617054 /nfs/dbraw/zinc/61/70/54/927617054.db2.gz JRCPHYXPRFTGKI-UPJWGTAASA-N 1 0 256.346 1.526 20 5 CDBDRO COC(=O)N1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169014437 927619110 /nfs/dbraw/zinc/61/91/10/927619110.db2.gz ZPLTVBCLVLSWQA-VXGBXAGGSA-N 1 0 285.344 1.206 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c(OC)n1 ZINC001168987326 927622077 /nfs/dbraw/zinc/62/20/77/927622077.db2.gz IGTOSYWUIVGTGQ-JQWIXIFHSA-N 1 0 295.339 1.634 20 5 CDBDRO Nc1ccc([C@H](CCO)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168990935 927629167 /nfs/dbraw/zinc/62/91/67/927629167.db2.gz FQSCSIQQMBMFHT-CQDKDKBSSA-N 1 0 293.367 1.727 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@]3(CCO3)C2)C1 ZINC001169035599 927643933 /nfs/dbraw/zinc/64/39/33/927643933.db2.gz KTNQXUKSQCTHHL-UPJWGTAASA-N 1 0 254.330 1.687 20 5 CDBDRO CCC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169057459 927675670 /nfs/dbraw/zinc/67/56/70/927675670.db2.gz VLILBBRUUOQJKE-UPJWGTAASA-N 1 0 283.372 1.422 20 5 CDBDRO COCCCCN1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169057902 927675758 /nfs/dbraw/zinc/67/57/58/927675758.db2.gz YUSTVEHWSDJWFN-LSDHHAIUSA-N 1 0 299.415 1.476 20 5 CDBDRO CCN(C(C)=O)C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169057968 927676140 /nfs/dbraw/zinc/67/61/40/927676140.db2.gz ZPSPWISZBQGDPZ-HIFRSBDPSA-N 1 0 297.399 1.765 20 5 CDBDRO C[C@H]([NH3+])c1ccn(-c2ccc3ncc([N+](=O)[O-])n3c2)n1 ZINC001169234617 927848041 /nfs/dbraw/zinc/84/80/41/927848041.db2.gz ZKMSQSLKBPYKKE-QMMMGPOBSA-N 1 0 272.268 1.448 20 5 CDBDRO CCOc1cc(-n2nncc2C[NH3+])ccc1[N+](=O)[O-] ZINC001169312197 927917724 /nfs/dbraw/zinc/91/77/24/927917724.db2.gz RFRDIEJCOINLRA-UHFFFAOYSA-N 1 0 263.257 1.033 20 5 CDBDRO COC(=O)c1cc(C)nc(-n2ccc(C[NH3+])c2)c1[N+](=O)[O-] ZINC001169726012 928347929 /nfs/dbraw/zinc/34/79/29/928347929.db2.gz RRVPBKJPIFPQIG-UHFFFAOYSA-N 1 0 290.279 1.334 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)C[C@H]21 ZINC001157263355 929402351 /nfs/dbraw/zinc/40/23/51/929402351.db2.gz AOGXRSFPPHCAPB-JOYOIKCWSA-N 1 0 277.328 1.102 20 5 CDBDRO Cc1c(C)c([N+](=O)[O-])cnc1N[C@H](C)[C@H]1C[NH2+]CCO1 ZINC001159498457 930307392 /nfs/dbraw/zinc/30/73/92/930307392.db2.gz LULVCUJUIMPXBJ-ZYHUDNBSSA-N 1 0 280.328 1.395 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1cnc(Cl)cc1[N+](=O)[O-] ZINC001170857521 930464990 /nfs/dbraw/zinc/46/49/90/930464990.db2.gz JVZZPFACYOGPCG-SECBINFHSA-N 1 0 260.681 1.112 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@](O)(C3CC3)C2)cc1 ZINC001116823128 937474379 /nfs/dbraw/zinc/47/43/79/937474379.db2.gz AHVWZEGNJGHTJC-LSDHHAIUSA-N 1 0 292.335 1.475 20 5 CDBDRO C[C@]1([NH3+])CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246533956 931622558 /nfs/dbraw/zinc/62/25/58/931622558.db2.gz FCNVKNGBJSKEHV-KBPBESRZSA-N 1 0 261.325 1.485 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000845733446 931891027 /nfs/dbraw/zinc/89/10/27/931891027.db2.gz BCVHKLMTFQLGLM-JTQLQIEISA-N 1 0 296.327 1.207 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C/C=C/C1CC1 ZINC001118156123 937597107 /nfs/dbraw/zinc/59/71/07/937597107.db2.gz QZACFGVBZLNUIF-OOPCZODUSA-N 1 0 292.335 1.890 20 5 CDBDRO CC(C)Oc1nc(-n2cnc(C[NH3+])c2)ccc1[N+](=O)[O-] ZINC001154911117 937604377 /nfs/dbraw/zinc/60/43/77/937604377.db2.gz UYIKBFMICSEIEN-UHFFFAOYSA-N 1 0 277.284 1.421 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1-n1cc2ccc(C[NH3+])cc2n1 ZINC001171319840 932648165 /nfs/dbraw/zinc/64/81/65/932648165.db2.gz FENPMUUIHHVRHL-UHFFFAOYSA-N 1 0 298.306 1.829 20 5 CDBDRO CN1Cc2cc(NC[C@H]3CCCC[NH2+]3)cc([N+](=O)[O-])c2N1 ZINC001171340894 932800061 /nfs/dbraw/zinc/80/00/61/932800061.db2.gz UWTNSCQWVSNWSH-LLVKDONJSA-N 1 0 291.355 1.921 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000692018828 934187897 /nfs/dbraw/zinc/18/78/97/934187897.db2.gz KGKYNYPSIIYYGX-TWGQIWQCSA-N 1 0 277.324 1.804 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCC[N@@H+]1C ZINC001120972280 937850696 /nfs/dbraw/zinc/85/06/96/937850696.db2.gz PRCNUQAQCABDAG-JTQLQIEISA-N 1 0 280.328 1.895 20 5 CDBDRO CC(C)Oc1nc(-n2cc(C[NH3+])cn2)ccc1[N+](=O)[O-] ZINC001157478010 938499349 /nfs/dbraw/zinc/49/93/49/938499349.db2.gz JDQKDMVXIZNBEJ-UHFFFAOYSA-N 1 0 277.284 1.421 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCCN1c1c([N+](=O)[O-])cc[n+]([O-])c1Cl ZINC001157741631 938538608 /nfs/dbraw/zinc/53/86/08/938538608.db2.gz MCUXKJBVKSFYRO-YUMQZZPRSA-N 1 0 286.719 1.198 20 5 CDBDRO CCC1(Nc2nc(Cl)ncc2[N+](=O)[O-])C[NH2+]C1 ZINC001157777868 938544754 /nfs/dbraw/zinc/54/47/54/938544754.db2.gz XEFOPOGPKQKVTN-UHFFFAOYSA-N 1 0 257.681 1.202 20 5 CDBDRO COc1nc(N2C[C@@H](C)[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001158174985 938590357 /nfs/dbraw/zinc/59/03/57/938590357.db2.gz ALFCLCAOXCTHSU-DTORHVGOSA-N 1 0 266.301 1.185 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC(C)(C)CC[NH+](C)C ZINC001158760705 938659989 /nfs/dbraw/zinc/65/99/89/938659989.db2.gz KDFRQCZHXMWLCN-UHFFFAOYSA-N 1 0 282.344 1.679 20 5 CDBDRO Cc1nc(NC(C)(C)CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001158760291 938660417 /nfs/dbraw/zinc/66/04/17/938660417.db2.gz OMSISXIUEDVDTB-UHFFFAOYSA-N 1 0 267.333 1.835 20 5 CDBDRO Cc1c(C)c(N(C)C(C)(C)C[NH3+])ncc1[N+](=O)[O-] ZINC001159055198 938698126 /nfs/dbraw/zinc/69/81/26/938698126.db2.gz HIFBFNHEYROQHG-UHFFFAOYSA-N 1 0 252.318 1.780 20 5 CDBDRO COc1nc(N(C)C(C)(C)C[NH3+])ccc1[N+](=O)[O-] ZINC001159054043 938698381 /nfs/dbraw/zinc/69/83/81/938698381.db2.gz DLIAPLVDMQGMGE-UHFFFAOYSA-N 1 0 254.290 1.172 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)[C@@H]2C[NH2+]CCO2)n1 ZINC001159498690 938734662 /nfs/dbraw/zinc/73/46/62/938734662.db2.gz MEFSCDOAAUJACY-MNOVXSKESA-N 1 0 280.328 1.395 20 5 CDBDRO [NH3+]Cc1cn(-c2ccc3cc([N+](=O)[O-])ccc3n2)cn1 ZINC001162296832 938973319 /nfs/dbraw/zinc/97/33/19/938973319.db2.gz NWKSEGVCXCHGOF-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO Cc1c(F)cnc(NC[C@H]2C[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC001162552446 939086024 /nfs/dbraw/zinc/08/60/24/939086024.db2.gz GSRYLBKAPUQBDO-VXNVDRBHSA-N 1 0 268.292 1.847 20 5 CDBDRO CC(=O)Nc1ccc(-n2nccc2C[NH3+])cc1[N+](=O)[O-] ZINC001162598385 939100207 /nfs/dbraw/zinc/10/02/07/939100207.db2.gz WTWBSVXZXIEYSM-UHFFFAOYSA-N 1 0 275.268 1.198 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1cnc(Cl)cc1[N+](=O)[O-] ZINC001162670559 939111736 /nfs/dbraw/zinc/11/17/36/939111736.db2.gz QZCAFWIDCHIOFK-RNFRBKRXSA-N 1 0 256.693 1.806 20 5 CDBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001162765382 939134938 /nfs/dbraw/zinc/13/49/38/939134938.db2.gz FKNZSSWYTBVYLK-VIFPVBQESA-N 1 0 299.290 1.587 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)nc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)c1 ZINC001162789966 939140192 /nfs/dbraw/zinc/14/01/92/939140192.db2.gz OXOLOPZAMOTQAR-FXBDTBDDSA-N 1 0 280.715 1.829 20 5 CDBDRO [NH3+][C@H]1COC[C@H]1Nc1cc2ccccc2c([N+](=O)[O-])c1 ZINC001162925793 939162164 /nfs/dbraw/zinc/16/21/64/939162164.db2.gz BLBWWRCKBQZEFX-QWHCGFSZSA-N 1 0 273.292 1.886 20 5 CDBDRO COc1ccnc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c1[N+](=O)[O-] ZINC001162978412 939167979 /nfs/dbraw/zinc/16/79/79/939167979.db2.gz ZFQSVDZJEAWHLH-GXFFZTMASA-N 1 0 278.312 1.695 20 5 CDBDRO Cc1c(F)cc([N+](=O)[O-])cc1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001163111911 939203585 /nfs/dbraw/zinc/20/35/85/939203585.db2.gz ZTKZVCSDIYYHSY-GLXFQSAKSA-N 1 0 295.314 1.689 20 5 CDBDRO O=[N+]([O-])c1ncccc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163171658 939219269 /nfs/dbraw/zinc/21/92/69/939219269.db2.gz MOAGEBDAXAQXPX-CKYFFXLPSA-N 1 0 278.312 1.026 20 5 CDBDRO Cc1ccc(-c2ccc(N(C)CC[NH3+])nn2)cc1[N+](=O)[O-] ZINC001163687977 939308701 /nfs/dbraw/zinc/30/87/01/939308701.db2.gz GDCWAWNVTYBXOT-UHFFFAOYSA-N 1 0 287.323 1.755 20 5 CDBDRO COc1cc(C)c([N+](=O)[O-])cc1-n1nc(C[NH3+])cc1C ZINC001163984803 939371352 /nfs/dbraw/zinc/37/13/52/939371352.db2.gz BPNXVVYIJFWXDL-UHFFFAOYSA-N 1 0 276.296 1.865 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ccnc1-n1ncc2c1CC[NH2+]C2 ZINC001165218212 939526018 /nfs/dbraw/zinc/52/60/18/939526018.db2.gz KNKWRHSAFMJDRV-UHFFFAOYSA-N 1 0 279.687 1.475 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2ccc(-n3ncc4c3CC[NH2+]C4)nc21 ZINC001165219045 939526319 /nfs/dbraw/zinc/52/63/19/939526319.db2.gz OVYLVGUHVKCJDL-UHFFFAOYSA-N 1 0 284.279 1.303 20 5 CDBDRO [NH3+][C@H]1[C@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C[C@@H]12 ZINC001165382999 939553676 /nfs/dbraw/zinc/55/36/76/939553676.db2.gz LINAMDVRERXFTG-ZXFHETKHSA-N 1 0 290.110 1.085 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC[C@H]3[NH2+]C[C@@H]32)n1 ZINC001165394709 939558232 /nfs/dbraw/zinc/55/82/32/939558232.db2.gz XPBXGJFKYCRZKT-ZJUUUORDSA-N 1 0 282.731 1.892 20 5 CDBDRO [NH3+][C@@H]1CN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])C[C@@H]1F ZINC001166928936 939649781 /nfs/dbraw/zinc/64/97/81/939649781.db2.gz ZEUHNSNGKGPTBF-NTSWFWBYSA-N 1 0 295.101 1.782 20 5 CDBDRO CN(C[C@@H]1CC[NH2+]C1)c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001166956089 939659384 /nfs/dbraw/zinc/65/93/84/939659384.db2.gz VHHILQWPDRDQBC-SNVBAGLBSA-N 1 0 287.323 1.584 20 5 CDBDRO [NH3+][C@@H]1CCN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1(F)F ZINC001166959053 939660552 /nfs/dbraw/zinc/66/05/52/939660552.db2.gz QATJGFUYMCUSDN-SECBINFHSA-N 1 0 297.265 1.644 20 5 CDBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1ccc(N)c([N+](=O)[O-])c1 ZINC001218031117 941035931 /nfs/dbraw/zinc/03/59/31/941035931.db2.gz MWPCRUSDEZGINT-NOZJJQNGSA-N 1 0 265.313 1.944 20 5 CDBDRO Cc1cc(O[C@@H]2CN3C[C@H]2[NH2+]CC3)c(C)c(C)c1[N+](=O)[O-] ZINC001218111441 941040429 /nfs/dbraw/zinc/04/04/29/941040429.db2.gz BHYFTVGDXOVXFO-TZMCWYRMSA-N 1 0 291.351 1.555 20 5 CDBDRO O=[N+]([O-])c1ccnc(Cl)c1O[C@@H]1CCC[NH2+]C1 ZINC001218278503 941050825 /nfs/dbraw/zinc/05/08/25/941050825.db2.gz OJGQYBLDFUREAK-SSDOTTSWSA-N 1 0 257.677 1.774 20 5 CDBDRO CC(=O)Cc1c(F)c(O[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001218285345 941052022 /nfs/dbraw/zinc/05/20/22/941052022.db2.gz KMSURVOEPIVEIO-SNVBAGLBSA-N 1 0 296.298 1.996 20 5 CDBDRO C[C@H](OCCN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001224548746 941767812 /nfs/dbraw/zinc/76/78/12/941767812.db2.gz FMFYEWCXEWWDFK-ZDUSSCGKSA-N 1 0 293.367 1.920 20 5 CDBDRO CC(=O)N1CCC[C@H](CO[C@H](C)C[N+](C)(C)C)C1 ZINC001225171911 941827238 /nfs/dbraw/zinc/82/72/38/941827238.db2.gz AUJFUAPIJGFLCS-OCCSQVGLSA-N 1 0 257.398 1.356 20 5 CDBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncccc1[N+](=O)[O-])C2 ZINC001225592892 941885564 /nfs/dbraw/zinc/88/55/64/941885564.db2.gz JJVSBFOPXWJHIV-URLYPYJESA-N 1 0 263.297 1.994 20 5 CDBDRO O=[N+]([O-])c1ncccc1OC1CC[NH+](C2CC2)CC1 ZINC001225629260 941891474 /nfs/dbraw/zinc/89/14/74/941891474.db2.gz IFHKWIHIEQSATG-UHFFFAOYSA-N 1 0 263.297 1.995 20 5 CDBDRO C[C@@H](C[NH+](C)C)Oc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001227109096 942134730 /nfs/dbraw/zinc/13/47/30/942134730.db2.gz RYWGWOKBFTTZRL-ZETCQYMHSA-N 1 0 270.245 1.227 20 5 CDBDRO COc1cc(O)cc(OC)c1O[C@@H](C)C[N+](C)(C)C ZINC001227250930 942157485 /nfs/dbraw/zinc/15/74/85/942157485.db2.gz ASPGMLLWBWRPOC-JTQLQIEISA-O 1 0 270.349 1.883 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2cccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC001227894892 942241295 /nfs/dbraw/zinc/24/12/95/942241295.db2.gz RAYCVQWPTHIXOJ-JTQLQIEISA-N 1 0 294.307 1.854 20 5 CDBDRO CCCOc1nnc(O[C@@H](C)C[N+](C)(C)C)n1C ZINC001228457810 942319963 /nfs/dbraw/zinc/31/99/63/942319963.db2.gz VASYOPAYLLIMNC-JTQLQIEISA-N 1 0 257.358 1.077 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC001228769318 942373200 /nfs/dbraw/zinc/37/32/00/942373200.db2.gz QCTVALOOHDJECR-GFCCVEGCSA-N 1 0 294.307 1.854 20 5 CDBDRO COC(=O)c1cc(OC2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC001228769782 942373220 /nfs/dbraw/zinc/37/32/20/942373220.db2.gz ZWNNCRSCARMGOD-UHFFFAOYSA-N 1 0 294.307 1.854 20 5 CDBDRO C[N@@H+]1CCC[C@@H](Oc2cnccc2[N+](=O)[O-])CC1 ZINC001228880319 942387817 /nfs/dbraw/zinc/38/78/17/942387817.db2.gz UDBBDRVONFCYBP-SNVBAGLBSA-N 1 0 251.286 1.853 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001228935857 942396506 /nfs/dbraw/zinc/39/65/06/942396506.db2.gz JIMYKPVDJXSWCP-SSDOTTSWSA-N 1 0 257.677 1.726 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)C1 ZINC001230231456 942593061 /nfs/dbraw/zinc/59/30/61/942593061.db2.gz KEYDXEPCGHEOQV-SECBINFHSA-N 1 0 291.311 1.729 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001262652768 943657586 /nfs/dbraw/zinc/65/75/86/943657586.db2.gz PKYHSENXQMTHFQ-SNVBAGLBSA-N 1 0 280.328 1.147 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001263197536 943783828 /nfs/dbraw/zinc/78/38/28/943783828.db2.gz ZGKQDZWYLGHUBA-SKDRFNHKSA-N 1 0 263.297 1.524 20 5 CDBDRO COCc1ncc(F)c(O[C@H](C)C[N+](C)(C)C)n1 ZINC001234880745 943965501 /nfs/dbraw/zinc/96/55/01/943965501.db2.gz JVYQZDBFQYVKJE-SECBINFHSA-N 1 0 258.317 1.236 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COC(=O)C1 ZINC001254539726 947519267 /nfs/dbraw/zinc/51/92/67/947519267.db2.gz KEGRZBGURTXOAL-KOLCDFICSA-N 1 0 264.281 1.431 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC001254563529 947525774 /nfs/dbraw/zinc/52/57/74/947525774.db2.gz YDANHCBDMCTMSS-ZYHUDNBSSA-N 1 0 277.324 1.333 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CCOCC1)C2 ZINC001254565612 947528923 /nfs/dbraw/zinc/52/89/23/947528923.db2.gz DUGYVWGCVGKXQV-ZDUSSCGKSA-N 1 0 262.309 1.831 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC2(C1)C[NH+](C)C2 ZINC001254571650 947531150 /nfs/dbraw/zinc/53/11/50/947531150.db2.gz ZTCNKIWAYIIXGJ-LBPRGKRZSA-N 1 0 275.352 1.773 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1OCCO1)C2 ZINC001254575485 947535178 /nfs/dbraw/zinc/53/51/78/947535178.db2.gz QXVOKROEYFNDPC-NSHDSACASA-N 1 0 264.281 1.025 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCCOCCO)C2 ZINC001254581225 947538560 /nfs/dbraw/zinc/53/85/60/947538560.db2.gz MPYGCUJARXLIIR-ZDUSSCGKSA-N 1 0 280.324 1.051 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@H](CO)C1)C2 ZINC001254599481 947549419 /nfs/dbraw/zinc/54/94/19/947549419.db2.gz MDFOAGWGJQMGRG-HZMBPMFUSA-N 1 0 262.309 1.376 20 5 CDBDRO CN1CC[C@H]([N@H+](C)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601243 947550105 /nfs/dbraw/zinc/55/01/05/947550105.db2.gz WNYYDXZJZLUHIL-GJZGRUSLSA-N 1 0 275.352 1.698 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1F)C2 ZINC001246477291 948194675 /nfs/dbraw/zinc/19/46/75/948194675.db2.gz NOUPEKWVSKPZRZ-FPMFFAJLSA-N 1 0 279.315 1.352 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001325681523 954023261 /nfs/dbraw/zinc/02/32/61/954023261.db2.gz SGDRVJZXYDCHGM-SNVBAGLBSA-N 1 0 292.339 1.476 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[NH3+])c1C ZINC001333177604 958131442 /nfs/dbraw/zinc/13/14/42/958131442.db2.gz FRHJMHLFQQPHHT-UHFFFAOYSA-N 1 0 265.313 1.680 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001336542614 960389777 /nfs/dbraw/zinc/38/97/77/960389777.db2.gz IODIDOKADGPWAN-KCJUWKMLSA-N 1 0 277.328 1.467 20 5 CDBDRO CN(CC1([NH+](C)C)CCC1)c1cc(N)c([N+](=O)[O-])cn1 ZINC001337130463 960961983 /nfs/dbraw/zinc/96/19/83/960961983.db2.gz DJNZMVCGCGGABS-UHFFFAOYSA-N 1 0 279.344 1.493 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001340118728 962756179 /nfs/dbraw/zinc/75/61/79/962756179.db2.gz MBOBRCTVEBTUJS-SECBINFHSA-N 1 0 283.303 1.378 20 5 CDBDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](CC[N+](=O)[O-])C1 ZINC001341392958 963394974 /nfs/dbraw/zinc/39/49/74/963394974.db2.gz NKPDKCUSNDIAFG-GFCCVEGCSA-N 1 0 258.318 1.174 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H]([NH3+])C2)c1 ZINC001342173510 963662839 /nfs/dbraw/zinc/66/28/39/963662839.db2.gz UDGWNEWLWLCLJL-OCAPTIKFSA-N 1 0 281.337 1.536 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC001342649266 963787717 /nfs/dbraw/zinc/78/77/17/963787717.db2.gz OETGCPPDHIEOKS-VXGBXAGGSA-N 1 0 291.351 1.960 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001343338116 963954308 /nfs/dbraw/zinc/95/43/08/963954308.db2.gz ZFPMMRXGXALOOQ-NEPJUHHUSA-N 1 0 276.340 1.971 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NCC(C)(C)[NH+](C)C ZINC001344129462 964241290 /nfs/dbraw/zinc/24/12/90/964241290.db2.gz MVGHDVUNUCZHLB-UHFFFAOYSA-N 1 0 252.318 1.472 20 5 CDBDRO O=C(C[C@@H]1CCC[NH2+]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001345781490 964814246 /nfs/dbraw/zinc/81/42/46/964814246.db2.gz URJKRALLPXWJQV-LBPRGKRZSA-N 1 0 275.308 1.579 20 5 CDBDRO CCC(C)(C)[NH+]1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000848495672 969133891 /nfs/dbraw/zinc/13/38/91/969133891.db2.gz NKCWMXPQQODYTJ-UHFFFAOYSA-N 1 0 281.360 1.555 20 5 CDBDRO COC(=O)COC[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000294952195 199268019 /nfs/dbraw/zinc/26/80/19/199268019.db2.gz DHXWJNPRVAFPEG-NSHDSACASA-N 1 0 296.323 1.305 20 5 CDBDRO CN(C)CC[N@H+](C)CCCNc1ccsc1[N+](=O)[O-] ZINC000601166922 342485260 /nfs/dbraw/zinc/48/52/60/342485260.db2.gz UNDVTPVQKTVMHU-UHFFFAOYSA-N 1 0 286.401 1.952 20 5 CDBDRO Cc1ccc(C[N@@H+](C)[C@@]2(CO)CCOC2)cc1[N+](=O)[O-] ZINC000600179035 341983527 /nfs/dbraw/zinc/98/35/27/341983527.db2.gz RNOSUZWJDWOXLR-CQSZACIVSA-N 1 0 280.324 1.486 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1C[C@@H](CO)C1)OCCO2 ZINC000601139393 342479693 /nfs/dbraw/zinc/47/96/93/342479693.db2.gz CJCDIPCEUJPKSF-JGZJWPJOSA-N 1 0 294.307 1.227 20 5 CDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1CCC[NH2+]C1 ZINC000269173056 190473944 /nfs/dbraw/zinc/47/39/44/190473944.db2.gz FZIRAJPIMZTHBV-ZJUUUORDSA-N 1 0 292.339 1.295 20 5 CDBDRO CC(C)[N@H+](C)CCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000041926861 342000655 /nfs/dbraw/zinc/00/06/55/342000655.db2.gz ZIWYNNUKNJJONB-UHFFFAOYSA-N 1 0 293.367 1.984 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1COCC[C@H]1O ZINC000601306403 342551234 /nfs/dbraw/zinc/55/12/34/342551234.db2.gz IAAQAWPIBXTCHN-ZLKJLUDKSA-N 1 0 280.324 1.704 20 5 CDBDRO CC(C)(O)CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564872938 365540784 /nfs/dbraw/zinc/54/07/84/365540784.db2.gz JRERTEULCVFHBD-GFCCVEGCSA-N 1 0 298.339 1.085 20 5 CDBDRO Cc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000382435514 361744540 /nfs/dbraw/zinc/74/45/40/361744540.db2.gz VLRAFQNEKTZPJR-ZJUUUORDSA-N 1 0 250.302 1.980 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000590566944 342576073 /nfs/dbraw/zinc/57/60/73/342576073.db2.gz TWBOOLUTLIVEJU-RISCZKNCSA-N 1 0 291.351 1.688 20 5 CDBDRO NC(=O)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000026467101 342055374 /nfs/dbraw/zinc/05/53/74/342055374.db2.gz PSOCFNAWHKPTPB-UHFFFAOYSA-N 1 0 263.297 1.292 20 5 CDBDRO COCCC[NH+]1CCC(Nc2cccnc2[N+](=O)[O-])CC1 ZINC000608885799 342082843 /nfs/dbraw/zinc/08/28/43/342082843.db2.gz NNNIJAJNWSKORR-UHFFFAOYSA-N 1 0 294.355 1.903 20 5 CDBDRO O=C1NCCC[C@@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000590971825 342612387 /nfs/dbraw/zinc/61/23/87/342612387.db2.gz OHASDIFWITWNAT-VUUYWXRKSA-N 1 0 289.335 1.724 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c(Cl)c1 ZINC000591439305 342632079 /nfs/dbraw/zinc/63/20/79/342632079.db2.gz SNRWHPXOPFXBBC-GZMMTYOYSA-N 1 0 282.731 1.831 20 5 CDBDRO Cc1c(CC(=O)NCCC[NH2+]C(C)C)cccc1[N+](=O)[O-] ZINC000592296687 342684078 /nfs/dbraw/zinc/68/40/78/342684078.db2.gz BCDWWCXOXDEPOZ-UHFFFAOYSA-N 1 0 293.367 1.950 20 5 CDBDRO CC1([NH3+])CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000592331169 342685317 /nfs/dbraw/zinc/68/53/17/342685317.db2.gz MHQAPGVDMRCKTI-UHFFFAOYSA-N 1 0 296.302 1.270 20 5 CDBDRO CN(CCC[NH+](C)C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611713876 346856211 /nfs/dbraw/zinc/85/62/11/346856211.db2.gz JVAIYLJTYQWERA-UHFFFAOYSA-N 1 0 289.339 1.926 20 5 CDBDRO CC(=O)c1ccc(OCC2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000592163405 342671159 /nfs/dbraw/zinc/67/11/59/342671159.db2.gz TYCJPWKGSHLVRU-UHFFFAOYSA-N 1 0 250.254 1.396 20 5 CDBDRO COC[C@H]1C[C@@H](O)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000593065733 342761647 /nfs/dbraw/zinc/76/16/47/342761647.db2.gz AJUOOLBLNZIDFT-CHWSQXEVSA-N 1 0 296.323 1.055 20 5 CDBDRO [NH3+]CCOCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000592965776 342750881 /nfs/dbraw/zinc/75/08/81/342750881.db2.gz KXOIWAJEMNBVCO-UHFFFAOYSA-N 1 0 293.323 1.061 20 5 CDBDRO Cc1cccc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000382466379 361937426 /nfs/dbraw/zinc/93/74/26/361937426.db2.gz MJQADHCQEAMVGH-WDEREUQCSA-N 1 0 277.324 1.760 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000092953220 342270345 /nfs/dbraw/zinc/27/03/45/342270345.db2.gz LLLNTMZZCISPNQ-CABZTGNLSA-N 1 0 263.297 1.209 20 5 CDBDRO Cc1c(NC(=O)[C@H]2CC[NH2+][C@@H]2C)cccc1[N+](=O)[O-] ZINC000092952528 342270591 /nfs/dbraw/zinc/27/05/91/342270591.db2.gz DZTHWNKCZFTCBV-ZJUUUORDSA-N 1 0 263.297 1.840 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(NC3CC[NH2+]CC3)c21 ZINC000600961530 342292790 /nfs/dbraw/zinc/29/27/90/342292790.db2.gz SDDLVHNCBVXHRG-UHFFFAOYSA-N 1 0 273.296 1.702 20 5 CDBDRO COCc1csc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000594931454 342975218 /nfs/dbraw/zinc/97/52/18/342975218.db2.gz OPZUIGRGRXCWHY-UHFFFAOYSA-N 1 0 296.352 1.789 20 5 CDBDRO Cc1c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000107578044 349707652 /nfs/dbraw/zinc/70/76/52/349707652.db2.gz UKOHDNCKNUQIFE-CHWSQXEVSA-N 1 0 261.325 1.554 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](C)O ZINC000595005290 342995724 /nfs/dbraw/zinc/99/57/24/342995724.db2.gz BHPIEXKEGAYDJQ-IUCAKERBSA-N 1 0 254.286 1.635 20 5 CDBDRO C[C@@H](C1CC1)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000075637562 342314059 /nfs/dbraw/zinc/31/40/59/342314059.db2.gz BXAFWWOYLUYBQE-IINYFYTJSA-N 1 0 294.355 1.415 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595415748 343054270 /nfs/dbraw/zinc/05/42/70/343054270.db2.gz SHTZSOZDWKDLNU-DOMZBBRYSA-N 1 0 295.383 1.947 20 5 CDBDRO CC1(C)CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075768057 342317103 /nfs/dbraw/zinc/31/71/03/342317103.db2.gz GCWIJBWJGJCYEX-CYBMUJFWSA-N 1 0 296.371 1.664 20 5 CDBDRO Cc1noc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000595504753 343079433 /nfs/dbraw/zinc/07/94/33/343079433.db2.gz INFJRHXRAMZDSI-AWEZNQCLSA-N 1 0 294.355 1.809 20 5 CDBDRO Cc1noc(CN2CC[N@@H+](C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000595507148 343080028 /nfs/dbraw/zinc/08/00/28/343080028.db2.gz KNNVBQDWEBGOFH-SNVBAGLBSA-N 1 0 294.355 1.807 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342929714 362088442 /nfs/dbraw/zinc/08/84/42/362088442.db2.gz RAAMDEPARXIIOL-UHFFFAOYSA-N 1 0 290.323 1.710 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000079403898 342344151 /nfs/dbraw/zinc/34/41/51/342344151.db2.gz MZCRMMJVKICFDB-LLVKDONJSA-N 1 0 292.339 1.623 20 5 CDBDRO COC1CC[NH+](CCNc2ncccc2[N+](=O)[O-])CC1 ZINC000080250155 342351340 /nfs/dbraw/zinc/35/13/40/342351340.db2.gz MCWUTPDUHRHOFN-UHFFFAOYSA-N 1 0 280.328 1.513 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596048724 343218506 /nfs/dbraw/zinc/21/85/06/343218506.db2.gz CNNKCSLNRPNIFC-NSHDSACASA-N 1 0 292.339 1.590 20 5 CDBDRO C[NH2+]C[C@H](C)N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000596107156 343229028 /nfs/dbraw/zinc/22/90/28/343229028.db2.gz SBBKRTUUHLWEGW-MNOVXSKESA-N 1 0 294.355 1.509 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000596120603 343247694 /nfs/dbraw/zinc/24/76/94/343247694.db2.gz IUTCEUFIPLOHPE-ZDUSSCGKSA-N 1 0 278.312 1.777 20 5 CDBDRO CC[NH+]1CCC(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596063165 343223913 /nfs/dbraw/zinc/22/39/13/343223913.db2.gz UDXKPNJHWBRINE-UHFFFAOYSA-N 1 0 266.301 1.592 20 5 CDBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ccc(N)c([N+](=O)[O-])n3)C2)C1 ZINC000596244391 343285684 /nfs/dbraw/zinc/28/56/84/343285684.db2.gz QUSDPEPSEIKWAV-CQSZACIVSA-N 1 0 291.355 1.494 20 5 CDBDRO C[NH+](C)C1(CNc2cc[nH]c(=O)c2[N+](=O)[O-])CCC1 ZINC000596223974 343271422 /nfs/dbraw/zinc/27/14/22/343271422.db2.gz VNXZTLSIMYXZEI-UHFFFAOYSA-N 1 0 266.301 1.592 20 5 CDBDRO CCc1nn(C)c(NCC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000596427953 343312430 /nfs/dbraw/zinc/31/24/30/343312430.db2.gz CIDIIAMFCCHSAZ-VIFPVBQESA-N 1 0 269.349 1.643 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](CO)C(C)(C)C ZINC000090564435 342396463 /nfs/dbraw/zinc/39/64/63/342396463.db2.gz AYFBJPVCFHMFJG-GFCCVEGCSA-N 1 0 297.355 1.095 20 5 CDBDRO CCc1nn(C)c(N2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000092828479 342419470 /nfs/dbraw/zinc/41/94/70/342419470.db2.gz FVKAOYBXPKRQMP-UHFFFAOYSA-N 1 0 281.360 1.421 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2CCC2)c1 ZINC000571277251 362228607 /nfs/dbraw/zinc/22/86/07/362228607.db2.gz DCWRPRXRJRILQI-GFCCVEGCSA-N 1 0 266.297 1.477 20 5 CDBDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000597244306 343481439 /nfs/dbraw/zinc/48/14/39/343481439.db2.gz QVTDYWWKLWODGV-HAQNSBGRSA-N 1 0 278.308 1.944 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000598341450 343770219 /nfs/dbraw/zinc/77/02/19/343770219.db2.gz BTTKPOQOTLURJJ-SECBINFHSA-N 1 0 266.301 1.137 20 5 CDBDRO [NH3+][C@@]12CCC[C@H]1CN(CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000598684978 343865001 /nfs/dbraw/zinc/86/50/01/343865001.db2.gz ZOCLMFSDJGTVEZ-DZGCQCFKSA-N 1 0 275.352 1.951 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](CO)C(C)(C)C ZINC000269669197 529939717 /nfs/dbraw/zinc/93/97/17/529939717.db2.gz QWGDNGMJLYGGIX-NSHDSACASA-N 1 0 270.333 1.130 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598913563 343919112 /nfs/dbraw/zinc/91/91/12/343919112.db2.gz MHYREAUTFCZCPM-HTQZYQBOSA-N 1 0 284.291 1.981 20 5 CDBDRO C[C@@](C[NH3+])(NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000598915818 343920140 /nfs/dbraw/zinc/92/01/40/343920140.db2.gz QILKRYIHWACOEE-ZDUSSCGKSA-N 1 0 296.302 1.983 20 5 CDBDRO CC[C@@H]([NH2+]CCN1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000599092513 343952802 /nfs/dbraw/zinc/95/28/02/343952802.db2.gz JJILAKJWWLUDRV-LSDHHAIUSA-N 1 0 293.367 1.702 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000128912251 362276548 /nfs/dbraw/zinc/27/65/48/362276548.db2.gz SMQKOZLZQDDODE-SNVBAGLBSA-N 1 0 263.297 1.337 20 5 CDBDRO Cc1nc(NC[C@H]2CCCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000599141005 343960036 /nfs/dbraw/zinc/96/00/36/343960036.db2.gz XQJDATNAWSGYFA-GFCCVEGCSA-N 1 0 278.356 1.864 20 5 CDBDRO Cc1cc(NCC[N@@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000599176301 343966047 /nfs/dbraw/zinc/96/60/47/343966047.db2.gz QFKGVUURKMZFMQ-GFCCVEGCSA-N 1 0 265.313 1.382 20 5 CDBDRO Cc1ccc(NCC[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000599176758 343968309 /nfs/dbraw/zinc/96/83/09/343968309.db2.gz WTHGBIPUSGGOLC-LLVKDONJSA-N 1 0 265.313 1.382 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CCOCC[NH3+] ZINC000599604656 344101374 /nfs/dbraw/zinc/10/13/74/344101374.db2.gz QUGJOFNLQGFHBY-UHFFFAOYSA-N 1 0 296.327 1.342 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000599989155 344160332 /nfs/dbraw/zinc/16/03/32/344160332.db2.gz UAPBNQNFUDDXEP-PJXYFTJBSA-N 1 0 275.308 1.227 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000599998868 344163038 /nfs/dbraw/zinc/16/30/38/344163038.db2.gz ASFPTKTVFWOCDL-WDNDVIMCSA-N 1 0 289.335 1.535 20 5 CDBDRO COc1ccc(CC(=O)N2C[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000602596620 344502555 /nfs/dbraw/zinc/50/25/55/344502555.db2.gz QOOHKPASZYMOBD-KOLCDFICSA-N 1 0 293.323 1.094 20 5 CDBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000602492184 344450664 /nfs/dbraw/zinc/45/06/64/344450664.db2.gz URPSGGQSYUWLCA-GXSJLCMTSA-N 1 0 293.298 1.558 20 5 CDBDRO Cc1cc(C(=O)N2CC[NH2+]C[C@H]2C(C)C)cc([N+](=O)[O-])c1 ZINC000602526241 344454250 /nfs/dbraw/zinc/45/42/50/344454250.db2.gz GDYSZUIJTLOXLL-AWEZNQCLSA-N 1 0 291.351 1.973 20 5 CDBDRO CC(C)N1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000602551351 344464743 /nfs/dbraw/zinc/46/47/43/344464743.db2.gz CHYOQRHIQGMLGP-CYBMUJFWSA-N 1 0 291.351 1.736 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)C1CC1 ZINC000602761139 344582768 /nfs/dbraw/zinc/58/27/68/344582768.db2.gz RHZZMMAYRXMDAD-VIFPVBQESA-N 1 0 252.318 1.830 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000265120296 344999678 /nfs/dbraw/zinc/99/96/78/344999678.db2.gz FKYRLUVGUBOJGR-GFCCVEGCSA-N 1 0 266.297 1.430 20 5 CDBDRO CCOCC(C)(C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000293363636 362549638 /nfs/dbraw/zinc/54/96/38/362549638.db2.gz UTILZHANJKJYJE-UHFFFAOYSA-N 1 0 283.328 1.161 20 5 CDBDRO Cc1c(C(=O)NCC(C)(C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000041297491 345107350 /nfs/dbraw/zinc/10/73/50/345107350.db2.gz RBZCTRRPWPNIGX-UHFFFAOYSA-N 1 0 279.340 1.973 20 5 CDBDRO CC[C@@]1(C)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000344240982 362558354 /nfs/dbraw/zinc/55/83/54/362558354.db2.gz RMIFFORLEAJDCN-OLZOCXBDSA-N 1 0 282.344 1.274 20 5 CDBDRO C[NH+](C)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000129347041 345317996 /nfs/dbraw/zinc/31/79/96/345317996.db2.gz BNPXKLMKGGNUNS-UHFFFAOYSA-N 1 0 271.704 1.540 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000129215318 345277199 /nfs/dbraw/zinc/27/71/99/345277199.db2.gz LQECAKDTEFZQCZ-CMPLNLGQSA-N 1 0 277.324 1.476 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000037881813 346369768 /nfs/dbraw/zinc/36/97/68/346369768.db2.gz SGKKPUJQTAIZQA-CQSZACIVSA-N 1 0 290.323 1.250 20 5 CDBDRO CC(C)OC[C@H](CO)N(C)Cc1csc([N+](=O)[O-])c1 ZINC000584681921 346402346 /nfs/dbraw/zinc/40/23/46/346402346.db2.gz ADXYRYOQIURDPE-NSHDSACASA-N 1 0 288.369 1.874 20 5 CDBDRO C[C@@H](C(=O)NCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000584832632 346449006 /nfs/dbraw/zinc/44/90/06/346449006.db2.gz XQFYHLRVDHPTQV-SNVBAGLBSA-N 1 0 265.313 1.376 20 5 CDBDRO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[C@H]1[NH3+] ZINC000122547048 347655614 /nfs/dbraw/zinc/65/56/14/347655614.db2.gz HEZZFUBAXHJKIR-VHSXEESVSA-N 1 0 280.328 1.133 20 5 CDBDRO CON(CC[NH3+])C(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC001579104704 1172097026 /nfs/dbraw/zinc/09/70/26/1172097026.db2.gz CIVSXHPMCHYGCW-UHFFFAOYSA-N 1 0 267.285 1.174 20 5 CDBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000046878692 348799504 /nfs/dbraw/zinc/79/95/04/348799504.db2.gz VZHIQNPEIVAFSP-JTQLQIEISA-N 1 0 280.328 1.385 20 5 CDBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000067701872 349033828 /nfs/dbraw/zinc/03/38/28/349033828.db2.gz ODQIVCHTFAQDMY-UHFFFAOYSA-N 1 0 263.297 1.419 20 5 CDBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000266089660 362938779 /nfs/dbraw/zinc/93/87/79/362938779.db2.gz DNLNTTMJMYYXED-UHFFFAOYSA-N 1 0 287.266 1.948 20 5 CDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000054773807 349410951 /nfs/dbraw/zinc/41/09/51/349410951.db2.gz WBUURCCFKGLSOT-SNVBAGLBSA-N 1 0 295.314 1.948 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCC[NH+](C)C ZINC000091557570 180190975 /nfs/dbraw/zinc/19/09/75/180190975.db2.gz RGOOLEDIJJSBRV-UHFFFAOYSA-N 1 0 255.322 1.483 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000104961525 186035049 /nfs/dbraw/zinc/03/50/49/186035049.db2.gz DEJOTEFGBSFSTH-ZDUSSCGKSA-N 1 0 280.324 1.820 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000091545861 180186646 /nfs/dbraw/zinc/18/66/46/180186646.db2.gz QGBGRJBJROTXRR-WCQGTBRESA-N 1 0 277.324 1.899 20 5 CDBDRO Cc1c(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000091548075 180187657 /nfs/dbraw/zinc/18/76/57/180187657.db2.gz SEHGOEKEYQYIFJ-UWVGGRQHSA-N 1 0 263.297 1.969 20 5 CDBDRO Cc1nccn1CCC[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000136307683 362968720 /nfs/dbraw/zinc/96/87/20/362968720.db2.gz KOWAYKVVWCWDLV-UHFFFAOYSA-N 1 0 292.343 1.318 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)cn1 ZINC000078246745 350789655 /nfs/dbraw/zinc/78/96/55/350789655.db2.gz KLHAAVFNCQGYSI-ZDUSSCGKSA-N 1 0 292.339 1.291 20 5 CDBDRO COC1CC[NH+](CCNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000079683440 350958633 /nfs/dbraw/zinc/95/86/33/350958633.db2.gz SZENBBQIBARNMN-UHFFFAOYSA-N 1 0 297.311 1.028 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCOCC1 ZINC000364649160 363083962 /nfs/dbraw/zinc/08/39/62/363083962.db2.gz SOGKPFOBFPBRCI-LBPRGKRZSA-N 1 0 296.323 1.057 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)CCC[NH3+] ZINC000295160284 199378746 /nfs/dbraw/zinc/37/87/46/199378746.db2.gz DTKPREBADFBUAW-SNVBAGLBSA-N 1 0 265.313 1.760 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000122539762 187037712 /nfs/dbraw/zinc/03/77/12/187037712.db2.gz UEAQEKHDNNRIHM-UHFFFAOYSA-N 1 0 271.342 1.904 20 5 CDBDRO COCCN(C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000122888499 187057878 /nfs/dbraw/zinc/05/78/78/187057878.db2.gz GCQLIYWPWDTHOD-UHFFFAOYSA-N 1 0 254.286 1.682 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000124192915 187126103 /nfs/dbraw/zinc/12/61/03/187126103.db2.gz NSEFTJLYPQYACY-VIFPVBQESA-N 1 0 279.296 1.085 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000133751403 187705133 /nfs/dbraw/zinc/70/51/33/187705133.db2.gz BYZCJBQKZRNSDZ-VIFPVBQESA-N 1 0 283.353 1.789 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000271590323 191230030 /nfs/dbraw/zinc/23/00/30/191230030.db2.gz YFCDVQJNCCWGDX-SNVBAGLBSA-N 1 0 265.313 1.252 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000147902184 187915257 /nfs/dbraw/zinc/91/52/57/187915257.db2.gz GIUMDCYBYWPXPV-SNVBAGLBSA-N 1 0 263.297 1.337 20 5 CDBDRO C[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000292245178 198215278 /nfs/dbraw/zinc/21/52/78/198215278.db2.gz DHSOMOJYORYEGM-LLVKDONJSA-N 1 0 295.339 1.288 20 5 CDBDRO Cn1nccc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000289888137 282865900 /nfs/dbraw/zinc/86/59/00/282865900.db2.gz SOTQGQOGJGOYRJ-UHFFFAOYSA-N 1 0 275.312 1.294 20 5 CDBDRO CC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000154192656 188128722 /nfs/dbraw/zinc/12/87/22/188128722.db2.gz PORWHBZIYBZSDS-UHFFFAOYSA-N 1 0 265.313 1.488 20 5 CDBDRO C[NH2+]CC1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000063159265 363237018 /nfs/dbraw/zinc/23/70/18/363237018.db2.gz FUOGTJPDMOKLQL-UHFFFAOYSA-N 1 0 295.314 1.806 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCN1CC=CCC1 ZINC000279671249 363248335 /nfs/dbraw/zinc/24/83/35/363248335.db2.gz HVGKRNLDCFWHEK-UHFFFAOYSA-N 1 0 261.325 1.946 20 5 CDBDRO CC(C)([NH3+])CNc1c(Br)cncc1[N+](=O)[O-] ZINC000232569713 140223289 /nfs/dbraw/zinc/22/32/89/140223289.db2.gz VBANZIKVMXGWDU-UHFFFAOYSA-N 1 0 289.133 1.902 20 5 CDBDRO Cc1nc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ncc1[N+](=O)[O-] ZINC000295721010 199634720 /nfs/dbraw/zinc/63/47/20/199634720.db2.gz UFDLSOYPDQNOTP-FOSCPWQOSA-N 1 0 291.355 1.755 20 5 CDBDRO Cc1nc(NCCC[N@@H+](C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000341046550 366310872 /nfs/dbraw/zinc/31/08/72/366310872.db2.gz RWEUBOSFILSOJG-UHFFFAOYSA-N 1 0 295.387 1.016 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000072622023 357354444 /nfs/dbraw/zinc/35/44/44/357354444.db2.gz ZQBHXXCELWKWOO-AWEZNQCLSA-N 1 0 291.351 1.738 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1CC[NH2+]C1 ZINC000149459186 357462289 /nfs/dbraw/zinc/46/22/89/357462289.db2.gz BYAYCMWBYLISHO-ZETCQYMHSA-N 1 0 256.693 1.665 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)cc1 ZINC000360767341 357684565 /nfs/dbraw/zinc/68/45/65/357684565.db2.gz UJPQHKQSMQXYBZ-QWHCGFSZSA-N 1 0 280.324 1.329 20 5 CDBDRO Cc1sc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000186767622 357687069 /nfs/dbraw/zinc/68/70/69/357687069.db2.gz OMYIMEYRIOAZNP-CBAPKCEASA-N 1 0 283.353 1.693 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000186837658 357697908 /nfs/dbraw/zinc/69/79/08/357697908.db2.gz NEJMAODOMMWKIV-QWRGUYRKSA-N 1 0 293.323 1.088 20 5 CDBDRO COc1cc(C[NH2+][C@H](C)C[C@H](C)O)c([N+](=O)[O-])cc1O ZINC000361030265 357769162 /nfs/dbraw/zinc/76/91/62/357769162.db2.gz JYOGQXAJDCGWAR-BDAKNGLRSA-N 1 0 284.312 1.558 20 5 CDBDRO Cc1cc(C(=O)N[C@](C)(C[NH3+])C2CC2)cc([N+](=O)[O-])c1 ZINC000135231120 357799134 /nfs/dbraw/zinc/79/91/34/357799134.db2.gz AWTIROKJBBXQQK-CQSZACIVSA-N 1 0 277.324 1.760 20 5 CDBDRO C[C@H](NC(=O)[C@@]1(C)CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000062894161 357979999 /nfs/dbraw/zinc/97/99/99/357979999.db2.gz IVTXQCPHEPNYED-HZMBPMFUSA-N 1 0 277.324 1.772 20 5 CDBDRO C[C@H](C(=O)NC[C@H](C)[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000347849790 295962695 /nfs/dbraw/zinc/96/26/95/295962695.db2.gz NJUSFIBWMPOXON-UWVGGRQHSA-N 1 0 297.330 1.904 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[NH+](C)C ZINC000191377469 358129776 /nfs/dbraw/zinc/12/97/76/358129776.db2.gz DQWWJUCPIUVXCE-UHFFFAOYSA-N 1 0 280.328 1.895 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344561821 363598773 /nfs/dbraw/zinc/59/87/73/363598773.db2.gz UKFAGRZWOPPVBH-UHFFFAOYSA-N 1 0 269.276 1.415 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271859590 283337169 /nfs/dbraw/zinc/33/71/69/283337169.db2.gz ZCDJLVADYKEPHL-VHSXEESVSA-N 1 0 265.313 1.770 20 5 CDBDRO CC(C)(C)[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000109330123 358166785 /nfs/dbraw/zinc/16/67/85/358166785.db2.gz DEHIWAIZNQZOKZ-GFCCVEGCSA-N 1 0 295.339 1.463 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000193556243 358302855 /nfs/dbraw/zinc/30/28/55/358302855.db2.gz FQPAUXUFENSHLZ-WDEREUQCSA-N 1 0 292.339 1.263 20 5 CDBDRO CCC[C@@H]([NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000236949930 358418330 /nfs/dbraw/zinc/41/83/30/358418330.db2.gz ZPWVCCOPBXBYOM-LLVKDONJSA-N 1 0 265.313 1.381 20 5 CDBDRO [NH3+][C@H]1CC[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000150758049 358595694 /nfs/dbraw/zinc/59/56/94/358595694.db2.gz DSMCBLMNGOTCCF-QWRGUYRKSA-N 1 0 292.339 1.250 20 5 CDBDRO C[C@H]([NH2+]CCN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000341569025 358661271 /nfs/dbraw/zinc/66/12/71/358661271.db2.gz CDXUBWSYDHFGFG-NSHDSACASA-N 1 0 277.324 1.868 20 5 CDBDRO C[C@@H]1OCC[C@@]1(O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567486431 358687819 /nfs/dbraw/zinc/68/78/19/358687819.db2.gz JPRVGFHMFHOPTH-VZJVUDMVSA-N 1 0 292.335 1.712 20 5 CDBDRO Cc1ncc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)n1C ZINC000567628026 358709810 /nfs/dbraw/zinc/70/98/10/358709810.db2.gz HFSYBACPAGWCAC-UHFFFAOYSA-N 1 0 290.323 1.805 20 5 CDBDRO C[C@@H](O)C[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567876625 358742407 /nfs/dbraw/zinc/74/24/07/358742407.db2.gz VKQLSPVBLSDGGO-WDEREUQCSA-N 1 0 295.339 1.672 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC([NH+](C)C)C1 ZINC000120357509 358790498 /nfs/dbraw/zinc/79/04/98/358790498.db2.gz UOLBFOCYJLVFKO-UHFFFAOYSA-N 1 0 292.339 1.989 20 5 CDBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000290987172 358802798 /nfs/dbraw/zinc/80/27/98/358802798.db2.gz PYBFIBSEZCKCKJ-LLVKDONJSA-N 1 0 297.359 1.028 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000186847893 358832427 /nfs/dbraw/zinc/83/24/27/358832427.db2.gz XBRKLEWVQJYKQT-GZMMTYOYSA-N 1 0 281.287 1.462 20 5 CDBDRO CC[N@H+](C)C[C@@H](O)COc1ccc(F)cc1[N+](=O)[O-] ZINC000388712113 366516533 /nfs/dbraw/zinc/51/65/33/366516533.db2.gz IKMXRXBBBHFVBF-SNVBAGLBSA-N 1 0 272.276 1.425 20 5 CDBDRO CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H](C)OC ZINC000291117989 358878450 /nfs/dbraw/zinc/87/84/50/358878450.db2.gz APRQQXXFURTTEW-JTQLQIEISA-N 1 0 295.339 1.551 20 5 CDBDRO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000450686481 358978553 /nfs/dbraw/zinc/97/85/53/358978553.db2.gz URTMBMAFCNCQID-MPKXVKKWSA-N 1 0 280.324 1.968 20 5 CDBDRO C[C@@H](C[NH+](C)C)NCc1ccc([N+](=O)[O-])cc1F ZINC000342217283 358967132 /nfs/dbraw/zinc/96/71/32/358967132.db2.gz QPDHZHLYMRWIEF-VIFPVBQESA-N 1 0 255.293 1.774 20 5 CDBDRO CC(C)[C@@H](CO)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000342238493 358973664 /nfs/dbraw/zinc/97/36/64/358973664.db2.gz SRJMOZOHGGWOPT-GFCCVEGCSA-N 1 0 252.314 1.949 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CNCC1([NH3+])CCC1 ZINC000342137155 358945589 /nfs/dbraw/zinc/94/55/89/358945589.db2.gz OSQDXSLWGAKOBJ-UHFFFAOYSA-N 1 0 292.339 1.313 20 5 CDBDRO Cc1nccn1CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000051634449 358948901 /nfs/dbraw/zinc/94/89/01/358948901.db2.gz HLRXRAVEFXWQFO-UHFFFAOYSA-N 1 0 260.297 1.890 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000087383912 359032948 /nfs/dbraw/zinc/03/29/48/359032948.db2.gz RFUJMMANPJQGND-ZHAHRWAOSA-N 1 0 275.308 1.462 20 5 CDBDRO C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CCC[N@@H+]1C ZINC000342361264 359018073 /nfs/dbraw/zinc/01/80/73/359018073.db2.gz SKTCJSSCKDBDIF-WPRPVWTQSA-N 1 0 266.301 1.135 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN(C)C[C@H](C)O ZINC000051837836 359134636 /nfs/dbraw/zinc/13/46/36/359134636.db2.gz AORRDVHWSIZWCB-VIFPVBQESA-N 1 0 254.286 1.416 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000569945837 359275348 /nfs/dbraw/zinc/27/53/48/359275348.db2.gz OLSYPNXSOFXTKQ-LBPRGKRZSA-N 1 0 294.355 1.912 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](CC3CC3)C2)c1 ZINC000339671972 359426421 /nfs/dbraw/zinc/42/64/21/359426421.db2.gz KNGHZMTVAFWYGG-LBPRGKRZSA-N 1 0 264.329 1.913 20 5 CDBDRO CN(C(=O)CSCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000339742074 359431723 /nfs/dbraw/zinc/43/17/23/359431723.db2.gz ZICHDGWTOBTPCI-UHFFFAOYSA-N 1 0 297.380 1.852 20 5 CDBDRO Cc1c(C(=O)N2CC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000050246301 359407612 /nfs/dbraw/zinc/40/76/12/359407612.db2.gz LFDNOXSBTNRIQI-JTQLQIEISA-N 1 0 263.297 1.324 20 5 CDBDRO COc1ccc(CN2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000050243857 359407824 /nfs/dbraw/zinc/40/78/24/359407824.db2.gz FRLNDSZUZKHGOA-SNVBAGLBSA-N 1 0 251.286 1.136 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000289557473 359619217 /nfs/dbraw/zinc/61/92/17/359619217.db2.gz KUHNRKLEAUUJCF-QWHCGFSZSA-N 1 0 277.324 1.599 20 5 CDBDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000221389209 359662347 /nfs/dbraw/zinc/66/23/47/359662347.db2.gz ZPHDYFMTNLDDJS-OWTLIXCDSA-N 1 0 296.371 1.567 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000572118737 359848244 /nfs/dbraw/zinc/84/82/44/359848244.db2.gz LLFSPDYMJSZSSE-GHMZBOCLSA-N 1 0 294.355 1.862 20 5 CDBDRO CCNC(=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135721397 359950939 /nfs/dbraw/zinc/95/09/39/359950939.db2.gz NUKKNZCOPUWNHZ-JTQLQIEISA-N 1 0 265.313 1.772 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000385817865 360117579 /nfs/dbraw/zinc/11/75/79/360117579.db2.gz WNNOINZGIRVKKO-YXZYKRAASA-N 1 0 289.335 1.865 20 5 CDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000177942312 189080796 /nfs/dbraw/zinc/08/07/96/189080796.db2.gz IXPAHXYPYZFEDO-LLVKDONJSA-N 1 0 292.339 1.123 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]C[C@H]1C ZINC000054371969 360660154 /nfs/dbraw/zinc/66/01/54/360660154.db2.gz BUKBEWNROHNOAS-SNVBAGLBSA-N 1 0 265.313 1.397 20 5 CDBDRO [NH3+]CCCc1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000229830844 360932979 /nfs/dbraw/zinc/93/29/79/360932979.db2.gz LAGXVMAQMARSHG-UHFFFAOYSA-N 1 0 261.285 1.126 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000162948565 360949860 /nfs/dbraw/zinc/94/98/60/360949860.db2.gz AHRHDHBPKQEZJN-SNVBAGLBSA-N 1 0 297.359 1.160 20 5 CDBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000180445111 189256046 /nfs/dbraw/zinc/25/60/46/189256046.db2.gz WZNCCCWILJEIKS-RISCZKNCSA-N 1 0 290.323 1.503 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000168610366 361322966 /nfs/dbraw/zinc/32/29/66/361322966.db2.gz VGZWTIQAPZKSCW-MNOVXSKESA-N 1 0 292.339 1.202 20 5 CDBDRO [NH3+][C@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000137420215 361363581 /nfs/dbraw/zinc/36/35/81/361363581.db2.gz YGOAXVPQLYRZPZ-LLVKDONJSA-N 1 0 293.323 1.217 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000519599550 361423361 /nfs/dbraw/zinc/42/33/61/361423361.db2.gz NQHCIWVNLQOIGB-ZYHUDNBSSA-N 1 0 277.324 1.252 20 5 CDBDRO COC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000183484640 189360043 /nfs/dbraw/zinc/36/00/43/189360043.db2.gz PPWCNHFWEGCASW-UONOGXRCSA-N 1 0 280.324 1.643 20 5 CDBDRO C[C@@H]1CCCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000248570536 361650880 /nfs/dbraw/zinc/65/08/80/361650880.db2.gz QRTNPWLICXQDBZ-DGCLKSJQSA-N 1 0 282.344 1.274 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000186727568 189448741 /nfs/dbraw/zinc/44/87/41/189448741.db2.gz LLXZKEYJQIXUBB-MFKMUULPSA-N 1 0 293.323 1.088 20 5 CDBDRO Cn1cc([N+](=O)[O-])c(SCCCCCC[NH3+])n1 ZINC001579970203 1172311574 /nfs/dbraw/zinc/31/15/74/1172311574.db2.gz RSNBWFCFERIHAB-UHFFFAOYSA-N 1 0 258.347 1.940 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000580523802 363917613 /nfs/dbraw/zinc/91/76/13/363917613.db2.gz VSWGKUSMFUDBCT-LLVKDONJSA-N 1 0 294.355 1.395 20 5 CDBDRO CC(C)[NH+](CCNC(=O)c1c([N+](=O)[O-])cnn1C)C(C)C ZINC000160488253 363928784 /nfs/dbraw/zinc/92/87/84/363928784.db2.gz DNZJGOURXKXFOI-UHFFFAOYSA-N 1 0 297.359 1.177 20 5 CDBDRO C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000237429218 363955548 /nfs/dbraw/zinc/95/55/48/363955548.db2.gz HRZJTUSJWVOFLH-MNOVXSKESA-N 1 0 293.323 1.182 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)C[NH3+])c1 ZINC000575376028 364093945 /nfs/dbraw/zinc/09/39/45/364093945.db2.gz MLGCWLILQQAYOK-UHFFFAOYSA-N 1 0 267.285 1.071 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCn3ccnc3)CC2)n1 ZINC000365517572 364304065 /nfs/dbraw/zinc/30/40/65/364304065.db2.gz TZKIEGSGZIRFBG-UHFFFAOYSA-N 1 0 290.327 1.325 20 5 CDBDRO CC[NH+](CC)CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000193365511 189641525 /nfs/dbraw/zinc/64/15/25/189641525.db2.gz BDKJIFOKCOFPAW-UHFFFAOYSA-N 1 0 252.318 1.931 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000193552189 189645359 /nfs/dbraw/zinc/64/53/59/189645359.db2.gz YDQJHWJTJAKBED-PSASIEDQSA-N 1 0 278.312 1.047 20 5 CDBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000193622593 189647269 /nfs/dbraw/zinc/64/72/69/189647269.db2.gz HCKAEFPJNNKAJV-ZWNOBZJWSA-N 1 0 277.324 1.252 20 5 CDBDRO Cc1cc(C(=O)NC[C@H]2C[NH2+]CCCO2)cc([N+](=O)[O-])c1 ZINC000389979922 365505702 /nfs/dbraw/zinc/50/57/02/365505702.db2.gz KGJMUTPODZAVKA-CYBMUJFWSA-N 1 0 293.323 1.012 20 5 CDBDRO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C1 ZINC000270577221 366906696 /nfs/dbraw/zinc/90/66/96/366906696.db2.gz PPMMQKHWPQMHPU-LLVKDONJSA-N 1 0 279.340 1.877 20 5 CDBDRO Cc1ccc(C[N@@H+]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000271025502 366958062 /nfs/dbraw/zinc/95/80/62/366958062.db2.gz WHOQGDVSBSUXHQ-LBPRGKRZSA-N 1 0 250.298 1.860 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)C[NH3+] ZINC000414662996 241309388 /nfs/dbraw/zinc/30/93/88/241309388.db2.gz RTYYLYIHQKAQHJ-UHFFFAOYSA-N 1 0 266.301 1.762 20 5 CDBDRO C[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094340164 367134717 /nfs/dbraw/zinc/13/47/17/367134717.db2.gz RHTDJTIQEPSROH-KWQFWETISA-N 1 0 281.287 1.543 20 5 CDBDRO [NH3+]C[C@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417232468 242370446 /nfs/dbraw/zinc/37/04/46/242370446.db2.gz MISOXEQBEDJOOG-GFCCVEGCSA-N 1 0 292.339 1.128 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417234158 242372517 /nfs/dbraw/zinc/37/25/17/242372517.db2.gz PKNWRQWRSVUKAY-LBPRGKRZSA-N 1 0 292.339 1.141 20 5 CDBDRO C[C@@H]([NH3+])CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269160255 367672792 /nfs/dbraw/zinc/67/27/92/367672792.db2.gz LNTAZEVVPMXAOD-MRVPVSSYSA-N 1 0 277.280 1.808 20 5 CDBDRO C[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000272471895 367739499 /nfs/dbraw/zinc/73/94/99/367739499.db2.gz ABHGYYFPJWGENV-QWRGUYRKSA-N 1 0 292.339 1.216 20 5 CDBDRO COc1ccc(NC(=O)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000272785921 368157517 /nfs/dbraw/zinc/15/75/17/368157517.db2.gz FQSBCALCLFZDTH-VIFPVBQESA-N 1 0 296.327 1.675 20 5 CDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@H](C)C1 ZINC000420342666 244114321 /nfs/dbraw/zinc/11/43/21/244114321.db2.gz XSHVHWNDSWIDAM-GHMZBOCLSA-N 1 0 292.339 1.216 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000420393990 244195358 /nfs/dbraw/zinc/19/53/58/244195358.db2.gz KHDJFMUHORRPLH-NWDGAFQWSA-N 1 0 279.340 1.656 20 5 CDBDRO C[C@H](CO)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331012982 203465275 /nfs/dbraw/zinc/46/52/75/203465275.db2.gz NUYTVSIOYCPITI-GMTAPVOTSA-N 1 0 268.317 1.245 20 5 CDBDRO CC[NH+](CC)CCn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000272821977 370195068 /nfs/dbraw/zinc/19/50/68/370195068.db2.gz NCIAORLYQIAYHI-UHFFFAOYSA-N 1 0 273.720 1.752 20 5 CDBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CCCCCC1 ZINC000422733220 245190751 /nfs/dbraw/zinc/19/07/51/245190751.db2.gz QKYWAOMMKRSIDV-UHFFFAOYSA-N 1 0 281.316 1.099 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000168704708 371067348 /nfs/dbraw/zinc/06/73/48/371067348.db2.gz CGIVWJCHYFTOCS-CMPLNLGQSA-N 1 0 277.324 1.713 20 5 CDBDRO C[C@H](NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000422797120 245267792 /nfs/dbraw/zinc/26/77/92/245267792.db2.gz ZWIMJSWQZVDBMF-AAEUAGOBSA-N 1 0 263.341 1.867 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]([NH3+])C(C)C ZINC000422856321 245339236 /nfs/dbraw/zinc/33/92/36/245339236.db2.gz WVXAQKPGKDFFQB-JTQLQIEISA-N 1 0 295.339 1.707 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH3+] ZINC000422885299 245372106 /nfs/dbraw/zinc/37/21/06/245372106.db2.gz UCJKEZAHHCNABE-UHFFFAOYSA-N 1 0 265.313 1.679 20 5 CDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000236812879 189846612 /nfs/dbraw/zinc/84/66/12/189846612.db2.gz NAPUTFSYYXUMBN-CQSZACIVSA-N 1 0 295.339 1.463 20 5 CDBDRO C[C@@H]([NH2+]CCN1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000296092787 373752669 /nfs/dbraw/zinc/75/26/69/373752669.db2.gz YHABCUJCYDATSX-GFCCVEGCSA-N 1 0 293.367 1.702 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368368931 373832613 /nfs/dbraw/zinc/83/26/13/373832613.db2.gz FKRNAGMKAJXQDV-UWVGGRQHSA-N 1 0 281.287 1.333 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000168942387 373842889 /nfs/dbraw/zinc/84/28/89/373842889.db2.gz IHTASLDXKBSOAY-SSDOTTSWSA-N 1 0 269.330 1.666 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000114486084 374313797 /nfs/dbraw/zinc/31/37/97/374313797.db2.gz UOTNYVQIMHAYFV-LLVKDONJSA-N 1 0 252.270 1.040 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423844070 246137174 /nfs/dbraw/zinc/13/71/74/246137174.db2.gz LLFZMGNVDQYTMB-HTQZYQBOSA-N 1 0 285.731 1.848 20 5 CDBDRO CCOc1ccc([C@@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000423431838 374381003 /nfs/dbraw/zinc/38/10/03/374381003.db2.gz LZBIMNDIAUVQHL-NYMYIZQJSA-N 1 0 291.351 1.862 20 5 CDBDRO C[C@H](NC[C@@H]1C[NH2+]CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000423500867 374386575 /nfs/dbraw/zinc/38/65/75/374386575.db2.gz DCIACILLTGYZSC-FZMZJTMJSA-N 1 0 279.340 1.624 20 5 CDBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299147817 374454506 /nfs/dbraw/zinc/45/45/06/374454506.db2.gz RJTSGSZZSPBVLY-QWRGUYRKSA-N 1 0 294.355 1.773 20 5 CDBDRO Cc1ccc(C[NH2+]CCC[S@@](C)=O)cc1[N+](=O)[O-] ZINC000116918369 374491517 /nfs/dbraw/zinc/49/15/17/374491517.db2.gz YBVDTGVJJRKNQJ-SFHVURJKSA-N 1 0 270.354 1.761 20 5 CDBDRO CS(=O)(=O)CCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000424173077 246368822 /nfs/dbraw/zinc/36/88/22/246368822.db2.gz OXLQRPMVMMCTAP-UHFFFAOYSA-N 1 0 292.382 1.571 20 5 CDBDRO NC(=O)C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000377554718 374607462 /nfs/dbraw/zinc/60/74/62/374607462.db2.gz OBOOURBDBBPLND-GFCCVEGCSA-N 1 0 277.324 1.335 20 5 CDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)CN(C)C ZINC000154393145 374700303 /nfs/dbraw/zinc/70/03/03/374700303.db2.gz MPPDUWPLIJBVGR-GXTWGEPZSA-N 1 0 295.383 1.428 20 5 CDBDRO [NH3+]CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070231862 374656613 /nfs/dbraw/zinc/65/66/13/374656613.db2.gz HDJPEUMOBLLOHP-UHFFFAOYSA-N 1 0 257.677 1.327 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000447818775 374715904 /nfs/dbraw/zinc/71/59/04/374715904.db2.gz YSCVESGFYNFAFB-JTQLQIEISA-N 1 0 281.360 1.861 20 5 CDBDRO CCN1C[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000449523664 374816332 /nfs/dbraw/zinc/81/63/32/374816332.db2.gz YYKVNIBJSGYQIR-WCQYABFASA-N 1 0 291.351 1.736 20 5 CDBDRO CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@H](C)O ZINC000449532960 374818740 /nfs/dbraw/zinc/81/87/40/374818740.db2.gz AUOSSXQWHGQCTK-ONGXEEELSA-N 1 0 298.339 1.861 20 5 CDBDRO CCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000330580916 374865430 /nfs/dbraw/zinc/86/54/30/374865430.db2.gz UIOGWWYGWIWZOT-UHFFFAOYSA-N 1 0 294.355 1.917 20 5 CDBDRO CO[C@]1(C)CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000279398839 374897474 /nfs/dbraw/zinc/89/74/74/374897474.db2.gz UXXDBRNVVZIFRD-CQSZACIVSA-N 1 0 295.339 1.257 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[C@H]1CCCC[N@H+]1C ZINC000330500271 374857663 /nfs/dbraw/zinc/85/76/63/374857663.db2.gz NWCACTBAGDSDDV-LLVKDONJSA-N 1 0 252.318 1.974 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[NH2+]2)c1 ZINC000155921370 374991790 /nfs/dbraw/zinc/99/17/90/374991790.db2.gz YMCTXPTWQMWPTK-SECBINFHSA-N 1 0 251.286 1.767 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000332112197 375006390 /nfs/dbraw/zinc/00/63/90/375006390.db2.gz GLQCABUSNRAUDE-GFCCVEGCSA-N 1 0 293.371 1.389 20 5 CDBDRO C[C@H](CO)[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H](C)O ZINC000282524238 375092250 /nfs/dbraw/zinc/09/22/50/375092250.db2.gz PTICZNOYCOVWNS-ZJUUUORDSA-N 1 0 286.303 1.298 20 5 CDBDRO Cc1n[nH]c(C(=O)NC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000299434249 375169847 /nfs/dbraw/zinc/16/98/47/375169847.db2.gz FZYJZPKIKKYSBJ-UHFFFAOYSA-N 1 0 295.343 1.229 20 5 CDBDRO COc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000161846029 375191263 /nfs/dbraw/zinc/19/12/63/375191263.db2.gz ALZJYNJUFXAFQQ-WDEREUQCSA-N 1 0 293.323 1.603 20 5 CDBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)C1CC1 ZINC000055718820 375211558 /nfs/dbraw/zinc/21/15/58/375211558.db2.gz OVXGMSOBVYGDFA-SECBINFHSA-N 1 0 267.285 1.258 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+](C)C2CC2)n1 ZINC000162621845 375391217 /nfs/dbraw/zinc/39/12/17/375391217.db2.gz GQJXAMJTJGCATA-UHFFFAOYSA-N 1 0 250.302 1.804 20 5 CDBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])s2)CCC1 ZINC000226777735 375395438 /nfs/dbraw/zinc/39/54/38/375395438.db2.gz FINHZFWPCUBSOP-UHFFFAOYSA-N 1 0 256.331 1.948 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000132289072 375439764 /nfs/dbraw/zinc/43/97/64/375439764.db2.gz UCWRDNLJKJJBNQ-UWVGGRQHSA-N 1 0 278.312 1.796 20 5 CDBDRO C[N@H+](CCCCCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000227113535 375446138 /nfs/dbraw/zinc/44/61/38/375446138.db2.gz RTYCPMWVKAOJFC-UHFFFAOYSA-N 1 0 295.339 1.628 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428053967 247236030 /nfs/dbraw/zinc/23/60/30/247236030.db2.gz MWJQLTDQAXIXIU-MFKMUULPSA-N 1 0 279.315 1.918 20 5 CDBDRO COc1ccc(C[NH2+][C@@H](C)C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000229010677 375827025 /nfs/dbraw/zinc/82/70/25/375827025.db2.gz YBQAXEYHBZGEED-JTQLQIEISA-N 1 0 295.339 1.606 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C2(C)C)cc([N+](=O)[O-])c1 ZINC000307909562 375895712 /nfs/dbraw/zinc/89/57/12/375895712.db2.gz FWRSLVYGYWPIPS-LBPRGKRZSA-N 1 0 277.324 1.774 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@@H+]1C ZINC000357415010 375907404 /nfs/dbraw/zinc/90/74/04/375907404.db2.gz NIBCPGSBRBLTKW-DTWKUNHWSA-N 1 0 266.301 1.135 20 5 CDBDRO C[NH+](C)CCN(C(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000356871095 375866652 /nfs/dbraw/zinc/86/66/52/375866652.db2.gz GPHVZWIWEXCNAU-UHFFFAOYSA-N 1 0 277.324 1.761 20 5 CDBDRO CN(CC(C)(C)C[NH3+])C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000262570584 190057555 /nfs/dbraw/zinc/05/75/55/190057555.db2.gz AJLWCGQJNFMEEJ-UHFFFAOYSA-N 1 0 294.355 1.450 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[NH2+]1 ZINC000262821765 190063676 /nfs/dbraw/zinc/06/36/76/190063676.db2.gz GVBBOXPKRJKSOR-IONNQARKSA-N 1 0 296.302 1.186 20 5 CDBDRO O=[N+]([O-])c1ccn(CCN2CC[NH2+]CC23CCCCC3)n1 ZINC000431075359 247758109 /nfs/dbraw/zinc/75/81/09/247758109.db2.gz DEUSHQBTUIOTFY-UHFFFAOYSA-N 1 0 293.371 1.399 20 5 CDBDRO C[C@H]([NH2+]C1CC1)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000296577901 376526445 /nfs/dbraw/zinc/52/64/45/376526445.db2.gz WNUCADAZZZGPGW-JTQLQIEISA-N 1 0 277.324 1.694 20 5 CDBDRO O=C1CCC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)N1 ZINC000433188707 248005058 /nfs/dbraw/zinc/00/50/58/248005058.db2.gz CSALHVHTBLRQTE-LLVKDONJSA-N 1 0 263.297 1.353 20 5 CDBDRO CCOC[C@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000172188487 377339558 /nfs/dbraw/zinc/33/95/58/377339558.db2.gz QQEZOXWKRWPASU-GFCCVEGCSA-N 1 0 268.313 1.424 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000331585921 284665853 /nfs/dbraw/zinc/66/58/53/284665853.db2.gz KFAKEKGCJUDOFF-JQWIXIFHSA-N 1 0 292.339 1.527 20 5 CDBDRO O=[N+]([O-])c1ccc(CCN[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC001580874963 1172556581 /nfs/dbraw/zinc/55/65/81/1172556581.db2.gz QWEXSUIMAOALRG-KWCYVHTRSA-N 1 0 261.325 1.620 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001580875012 1172556650 /nfs/dbraw/zinc/55/66/50/1172556650.db2.gz UGQKSMWURWIYJR-BDAKNGLRSA-N 1 0 282.731 1.689 20 5 CDBDRO O=[N+]([O-])c1cc(CO)c(NC[C@H]2CCC[NH2+]2)cc1F ZINC001580875066 1172557924 /nfs/dbraw/zinc/55/79/24/1172557924.db2.gz WQURXVWQJDGSRL-SECBINFHSA-N 1 0 269.276 1.390 20 5 CDBDRO Cc1ccc(C[NH2+][C@H](CO)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000447968772 250459822 /nfs/dbraw/zinc/45/98/22/250459822.db2.gz RUMWOOKKIILYHD-TZMCWYRMSA-N 1 0 280.324 1.533 20 5 CDBDRO C[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000266863367 190285210 /nfs/dbraw/zinc/28/52/10/190285210.db2.gz LSMWYUAZLUDMPW-OLZOCXBDSA-N 1 0 293.367 1.966 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCCOC1 ZINC000174853194 379592872 /nfs/dbraw/zinc/59/28/72/379592872.db2.gz DAXCGZOSJURJRI-LLVKDONJSA-N 1 0 268.317 1.150 20 5 CDBDRO C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267032836 190298377 /nfs/dbraw/zinc/29/83/77/190298377.db2.gz NEDSRRYVNFYVFL-UHFFFAOYSA-N 1 0 253.277 1.481 20 5 CDBDRO O=C1C[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1 ZINC000414195984 284840788 /nfs/dbraw/zinc/84/07/88/284840788.db2.gz JNRJDALRCQFOPG-QMTHXVAHSA-N 1 0 289.335 1.698 20 5 CDBDRO COC[C@](C)([NH3+])CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450334736 251230176 /nfs/dbraw/zinc/23/01/76/251230176.db2.gz UNCQUFPPMLJZKB-CQSZACIVSA-N 1 0 290.323 1.919 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@H]2C[C@@H](O)C2)n1 ZINC000453347314 252303809 /nfs/dbraw/zinc/30/38/09/252303809.db2.gz BOIDMBNMNTWNTJ-USZNOCQGSA-N 1 0 280.328 1.388 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000288946528 197197819 /nfs/dbraw/zinc/19/78/19/197197819.db2.gz SBGZOHYOEXESLR-LBPRGKRZSA-N 1 0 291.355 1.570 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCc3occc3C2)c1 ZINC000288680120 197143617 /nfs/dbraw/zinc/14/36/17/197143617.db2.gz CPHUTORXBARDRF-UHFFFAOYSA-N 1 0 276.296 1.833 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000288565653 197114234 /nfs/dbraw/zinc/11/42/34/197114234.db2.gz HARNMUXEVMUKHP-ZWNOBZJWSA-N 1 0 277.324 1.599 20 5 CDBDRO CC[C@H](C)[N@H+](CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000287389213 196847800 /nfs/dbraw/zinc/84/78/00/196847800.db2.gz NIWZYKXQNNXTOR-NSHDSACASA-N 1 0 295.339 1.626 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000163377772 390232543 /nfs/dbraw/zinc/23/25/43/390232543.db2.gz CCMDIJDIUXPFFM-GXSJLCMTSA-N 1 0 263.297 1.404 20 5 CDBDRO C[NH+]1CCC(NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000048609127 390450428 /nfs/dbraw/zinc/45/04/28/390450428.db2.gz RXMQZPRHQPDSGJ-UHFFFAOYSA-N 1 0 269.326 1.480 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000381250540 390589126 /nfs/dbraw/zinc/58/91/26/390589126.db2.gz BSYRMUFTYPGYEZ-IQQGHNRFSA-N 1 0 277.324 1.852 20 5 CDBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000451501657 390627729 /nfs/dbraw/zinc/62/77/29/390627729.db2.gz OUXYPRJYFUOEMI-YUSALJHKSA-N 1 0 282.344 1.440 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CNCCO1 ZINC000415091915 391014720 /nfs/dbraw/zinc/01/47/20/391014720.db2.gz DLYHQJSEOQURBX-LQPUYASZSA-N 1 0 277.324 1.186 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000520213525 391251965 /nfs/dbraw/zinc/25/19/65/391251965.db2.gz NBCVASIKKLJZGS-SNVBAGLBSA-N 1 0 292.339 1.447 20 5 CDBDRO Cc1n[nH]c(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449230392 391408772 /nfs/dbraw/zinc/40/87/72/391408772.db2.gz KJXDRDWDKRQARN-JTQLQIEISA-N 1 0 289.339 1.785 20 5 CDBDRO [NH3+]C1(CNC(=O)Nc2ccncc2[N+](=O)[O-])CCCCC1 ZINC000415377673 391376430 /nfs/dbraw/zinc/37/64/30/391376430.db2.gz BGFORGFFPBBFCI-UHFFFAOYSA-N 1 0 293.327 1.195 20 5 CDBDRO COc1ccc(NC(=O)N2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000415451988 391458799 /nfs/dbraw/zinc/45/87/99/391458799.db2.gz XTGRVRVVTIDVEE-SECBINFHSA-N 1 0 294.311 1.429 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCCC[NH3+] ZINC000415506480 391468447 /nfs/dbraw/zinc/46/84/47/391468447.db2.gz RSZKZLHXSUPWCF-UHFFFAOYSA-N 1 0 266.301 1.764 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[NH2+]1 ZINC000269220214 391593730 /nfs/dbraw/zinc/59/37/30/391593730.db2.gz REUSLPJSVUCKJX-MRVPVSSYSA-N 1 0 283.715 1.682 20 5 CDBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000189718333 391792532 /nfs/dbraw/zinc/79/25/32/391792532.db2.gz MDHFIZDETZNMER-GXFFZTMASA-N 1 0 250.298 1.798 20 5 CDBDRO CCC[C@H](C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438842878 391933452 /nfs/dbraw/zinc/93/34/52/391933452.db2.gz PWTYTXWALSRRLX-JQWIXIFHSA-N 1 0 270.333 1.273 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000353939055 391909470 /nfs/dbraw/zinc/90/94/70/391909470.db2.gz LUKKQUOMYOGARF-UHFFFAOYSA-N 1 0 279.340 1.594 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000449164120 391998814 /nfs/dbraw/zinc/99/88/14/391998814.db2.gz XZGSZHUEKSIEQJ-AAEUAGOBSA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@H]([NH2+]C[C@@H]1CCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000459395421 392431018 /nfs/dbraw/zinc/43/10/18/392431018.db2.gz PJIBOZVGJPRRDM-JQWIXIFHSA-N 1 0 277.324 1.772 20 5 CDBDRO CC(=O)c1ccc(NCCCC[NH3+])c([N+](=O)[O-])c1 ZINC000420226894 392908867 /nfs/dbraw/zinc/90/88/67/392908867.db2.gz AXZXOWYXHSAXQA-UHFFFAOYSA-N 1 0 251.286 1.948 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)N[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000417857223 392874478 /nfs/dbraw/zinc/87/44/78/392874478.db2.gz UAGZRGKBORZZIG-ZJUUUORDSA-N 1 0 280.328 1.611 20 5 CDBDRO Cc1ccnc(NCCC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000420268210 392917841 /nfs/dbraw/zinc/91/78/41/392917841.db2.gz HJLWHUSZRGVCAB-LLVKDONJSA-N 1 0 264.329 1.664 20 5 CDBDRO CC(C)[C@](C)(C[NH3+])NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000430550465 393101313 /nfs/dbraw/zinc/10/13/13/393101313.db2.gz GJESTUCPBISFRL-AWEZNQCLSA-N 1 0 294.355 1.157 20 5 CDBDRO C[NH2+][C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000430606103 393102320 /nfs/dbraw/zinc/10/23/20/393102320.db2.gz UFGKBJJZAOGDKN-LLVKDONJSA-N 1 0 292.339 1.135 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[NH2+]CC1 ZINC000430619351 393103024 /nfs/dbraw/zinc/10/30/24/393103024.db2.gz AOGPFSBDJSZYTR-UHFFFAOYSA-N 1 0 253.277 1.529 20 5 CDBDRO C[NH+](C)[C@]1(CNc2ncc([N+](=O)[O-])s2)CCSC1 ZINC000282006577 393166994 /nfs/dbraw/zinc/16/69/94/393166994.db2.gz UROZLNJQBPJCPN-JTQLQIEISA-N 1 0 288.398 1.901 20 5 CDBDRO CCOC[C@H](O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449165799 393131190 /nfs/dbraw/zinc/13/11/90/393131190.db2.gz XMGJSBIEPJALIL-DGCLKSJQSA-N 1 0 282.340 1.513 20 5 CDBDRO [NH3+]C1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000449177802 393132394 /nfs/dbraw/zinc/13/23/94/393132394.db2.gz QJBIHIANWZTIJQ-UHFFFAOYSA-N 1 0 278.312 1.004 20 5 CDBDRO CO[C@@H]1C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000449575090 393135381 /nfs/dbraw/zinc/13/53/81/393135381.db2.gz ZXWVJGLSRASVEP-XBJHSPDSSA-N 1 0 292.335 1.690 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000449665943 393137853 /nfs/dbraw/zinc/13/78/53/393137853.db2.gz RMEIGTRPUNKYGC-LLVKDONJSA-N 1 0 299.277 1.630 20 5 CDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000449707165 393139471 /nfs/dbraw/zinc/13/94/71/393139471.db2.gz CVLJZJIZUPOOAE-WDEREUQCSA-N 1 0 293.323 1.217 20 5 CDBDRO C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@H](C)[NH3+] ZINC000493903830 393224585 /nfs/dbraw/zinc/22/45/85/393224585.db2.gz BCIHCVOHFOYUDE-ZJUUUORDSA-N 1 0 277.324 1.463 20 5 CDBDRO C[C@@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000493625986 393216118 /nfs/dbraw/zinc/21/61/18/393216118.db2.gz PCERJPMHMCIOQP-PWWFUAJNSA-N 1 0 291.351 1.922 20 5 CDBDRO Cc1cc(N2CCC([C@@H](C)[NH3+])CC2)ncc1[N+](=O)[O-] ZINC000092027695 139689035 /nfs/dbraw/zinc/68/90/35/139689035.db2.gz PHWMVLWOVFTZMC-SNVBAGLBSA-N 1 0 264.329 1.862 20 5 CDBDRO O=C(C[C@H]1CCC[NH2+]1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000178567653 140005697 /nfs/dbraw/zinc/00/56/97/140005697.db2.gz YSKOEPOQLKWJOC-SNVBAGLBSA-N 1 0 275.308 1.626 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[C@H]1CC[NH2+]C1 ZINC000261580156 140354691 /nfs/dbraw/zinc/35/46/91/140354691.db2.gz FFQKDPNDXILXFY-SNVBAGLBSA-N 1 0 267.333 1.531 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000261587696 140356836 /nfs/dbraw/zinc/35/68/36/140356836.db2.gz VCXOUJDPWLGDCE-SSDOTTSWSA-N 1 0 255.249 1.072 20 5 CDBDRO CC(C)([NH3+])CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000261586561 140357305 /nfs/dbraw/zinc/35/73/05/140357305.db2.gz ULKKZCAEGZUVEO-UHFFFAOYSA-N 1 0 267.314 1.749 20 5 CDBDRO COc1ccc(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000261598894 140360945 /nfs/dbraw/zinc/36/09/45/140360945.db2.gz BAHGSBPVWGMSNH-QWHCGFSZSA-N 1 0 291.351 1.645 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261705834 140378010 /nfs/dbraw/zinc/37/80/10/140378010.db2.gz IXNYUOBEVYLKHB-ONGXEEELSA-N 1 0 281.360 1.683 20 5 CDBDRO COC[C@@]1(CNc2nccc(C)c2[N+](=O)[O-])CCC[NH2+]1 ZINC000261823064 140394633 /nfs/dbraw/zinc/39/46/33/140394633.db2.gz UEBPOQVNYVOWPQ-ZDUSSCGKSA-N 1 0 280.328 1.479 20 5 CDBDRO COc1ccc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)cc1[N+](=O)[O-] ZINC000261830268 140395674 /nfs/dbraw/zinc/39/56/74/140395674.db2.gz USQMVRYYRRIANC-SCZZXKLOSA-N 1 0 279.296 1.165 20 5 CDBDRO C[C@@H]([NH3+])CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000261877555 140402810 /nfs/dbraw/zinc/40/28/10/140402810.db2.gz SKUZGUURXAXIEJ-ZCFIWIBFSA-N 1 0 263.257 1.147 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000168690558 147761106 /nfs/dbraw/zinc/76/11/06/147761106.db2.gz CYVXOPYVWDHUEC-QMMMGPOBSA-N 1 0 285.731 1.928 20 5 CDBDRO CCO[C@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000182036562 148237185 /nfs/dbraw/zinc/23/71/85/148237185.db2.gz GTGWNUPCACJNFS-STQMWFEESA-N 1 0 294.355 1.729 20 5 CDBDRO O=[N+]([O-])c1ccc(CNC2=[NH+]CCCN2)c(Cl)c1 ZINC000184814186 148373682 /nfs/dbraw/zinc/37/36/82/148373682.db2.gz IRHBYKGRFGSELV-UHFFFAOYSA-N 1 0 268.704 1.687 20 5 CDBDRO Cc1c(NC(=O)[C@@H]([NH3+])CC(F)F)cccc1[N+](=O)[O-] ZINC000311393865 149212637 /nfs/dbraw/zinc/21/26/37/149212637.db2.gz NWUOKSXZTMQUJA-ZETCQYMHSA-N 1 0 273.239 1.824 20 5 CDBDRO O=C1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H]2CCCCN12 ZINC000314010466 149250630 /nfs/dbraw/zinc/25/06/30/149250630.db2.gz FFVNWECHTPNZHU-TZMCWYRMSA-N 1 0 289.335 1.838 20 5 CDBDRO COc1ccc(OC[C@H](O)C[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000314905051 149257215 /nfs/dbraw/zinc/25/72/15/149257215.db2.gz IUVGVBYLDGONLX-LLVKDONJSA-N 1 0 296.323 1.437 20 5 CDBDRO [NH3+]CCN(CCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000342411590 151827929 /nfs/dbraw/zinc/82/79/29/151827929.db2.gz GTWXOKMPQVAQDE-UHFFFAOYSA-N 1 0 273.720 1.001 20 5 CDBDRO CO[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000343545647 152218691 /nfs/dbraw/zinc/21/86/91/152218691.db2.gz ZAMKFAZQBRJVNL-NWDGAFQWSA-N 1 0 296.323 1.055 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)C[NH+](C)C)n1 ZINC000343798821 152306931 /nfs/dbraw/zinc/30/69/31/152306931.db2.gz WPLANEXSZCLHRA-SNVBAGLBSA-N 1 0 252.318 1.969 20 5 CDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCOC1 ZINC000348263739 153838185 /nfs/dbraw/zinc/83/81/85/153838185.db2.gz UWTDZHSOGFTHBY-NWDGAFQWSA-N 1 0 295.339 1.161 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@]2(O)CCSC2)c(F)c1 ZINC000350289555 154360851 /nfs/dbraw/zinc/36/08/51/154360851.db2.gz RBBWGIQTGSKVRB-GFCCVEGCSA-N 1 0 286.328 1.692 20 5 CDBDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@@H](CO)O2)cc1[N+](=O)[O-] ZINC000353702654 156024663 /nfs/dbraw/zinc/02/46/63/156024663.db2.gz JYTBYIAQYDHDBA-RYUDHWBXSA-N 1 0 296.323 1.233 20 5 CDBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(C)(CO)CO ZINC000353858737 156127453 /nfs/dbraw/zinc/12/74/53/156127453.db2.gz UOKXLHSCHWCORM-ALCCZGGFSA-N 1 0 294.351 1.531 20 5 CDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000359296055 158203876 /nfs/dbraw/zinc/20/38/76/158203876.db2.gz QTVUBMZVEAUEQZ-LBPRGKRZSA-N 1 0 291.351 1.690 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCN2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359298067 158204917 /nfs/dbraw/zinc/20/49/17/158204917.db2.gz YXJFZCSEGSRREB-TXEJJXNPSA-N 1 0 277.324 1.125 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[NH2+]CC1 ZINC000368720700 159702005 /nfs/dbraw/zinc/70/20/05/159702005.db2.gz AHHGDMUZQVXTPH-ZDUSSCGKSA-N 1 0 291.351 1.786 20 5 CDBDRO CN1CCO[C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000284319803 196029118 /nfs/dbraw/zinc/02/91/18/196029118.db2.gz AYCDDYYFCHXWRH-HUUCEWRRSA-N 1 0 291.351 1.500 20 5 CDBDRO CN1CCO[C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000284319809 196029264 /nfs/dbraw/zinc/02/92/64/196029264.db2.gz AYCDDYYFCHXWRH-LSDHHAIUSA-N 1 0 291.351 1.500 20 5 CDBDRO C[C@H]([NH2+]CCCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000020142068 171028294 /nfs/dbraw/zinc/02/82/94/171028294.db2.gz DBNGOLHJEAVESZ-ZDUSSCGKSA-N 1 0 293.367 1.968 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C(N)=O ZINC000284789836 196131467 /nfs/dbraw/zinc/13/14/67/196131467.db2.gz IXDSWWZCAHSJLO-LDYMZIIASA-N 1 0 281.287 1.287 20 5 CDBDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284897656 196152216 /nfs/dbraw/zinc/15/22/16/196152216.db2.gz CBTMLSOGBYYJHF-JBLDHEPKSA-N 1 0 279.340 1.989 20 5 CDBDRO CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285029433 196181784 /nfs/dbraw/zinc/18/17/84/196181784.db2.gz HQMKUTJDGCHDIJ-WPRPVWTQSA-N 1 0 253.302 1.599 20 5 CDBDRO CC[C@@H](O)CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285274989 196238403 /nfs/dbraw/zinc/23/84/03/196238403.db2.gz QZVMAGPDIPXAAK-MWLCHTKSSA-N 1 0 267.329 1.989 20 5 CDBDRO Cc1ccc(C[NH2+]CCC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000285430050 196282161 /nfs/dbraw/zinc/28/21/61/196282161.db2.gz HLLKUEZJMSLUOF-UHFFFAOYSA-N 1 0 294.351 1.924 20 5 CDBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])n1C)C1CC[NH2+]CC1 ZINC000037537731 173257717 /nfs/dbraw/zinc/25/77/17/173257717.db2.gz VTUMEBMVFOIHOU-UHFFFAOYSA-N 1 0 294.355 1.538 20 5 CDBDRO C[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2N)CCC[NH2+]C1 ZINC000285998289 196466066 /nfs/dbraw/zinc/46/60/66/196466066.db2.gz IOOCXZXRDJBEAN-AWEZNQCLSA-N 1 0 292.339 1.297 20 5 CDBDRO C[C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])[NH+](C)C ZINC000038108658 174122220 /nfs/dbraw/zinc/12/22/20/174122220.db2.gz ZUBQWDOVGIGUJW-QMMMGPOBSA-N 1 0 269.276 1.414 20 5 CDBDRO CCNC(=O)[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040676116 174373696 /nfs/dbraw/zinc/37/36/96/174373696.db2.gz HONPAPXINUSWCB-SNVBAGLBSA-N 1 0 265.313 1.252 20 5 CDBDRO O=C(NCC1CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000044503856 175186551 /nfs/dbraw/zinc/18/65/51/175186551.db2.gz JXOVRRRUZBWLTH-UHFFFAOYSA-N 1 0 278.312 1.716 20 5 CDBDRO O=C(C[C@@H]1CCC[NH2+]1)NCc1ccccc1[N+](=O)[O-] ZINC000050015975 175506467 /nfs/dbraw/zinc/50/64/67/175506467.db2.gz WOIRPOLATJURBL-NSHDSACASA-N 1 0 263.297 1.353 20 5 CDBDRO CC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000058100140 175607632 /nfs/dbraw/zinc/60/76/32/175607632.db2.gz GYSZNIFJGZCDDR-VIFPVBQESA-N 1 0 251.286 1.921 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000071143691 176040951 /nfs/dbraw/zinc/04/09/51/176040951.db2.gz YSBZIHVYXMQHQB-VIFPVBQESA-N 1 0 297.742 1.930 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000071143907 176041263 /nfs/dbraw/zinc/04/12/63/176041263.db2.gz OCUQVHSAWCEPJZ-NSHDSACASA-N 1 0 277.324 1.585 20 5 CDBDRO C[NH2+]C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000071147419 176043578 /nfs/dbraw/zinc/04/35/78/176043578.db2.gz DJQBJDXIXWHNIY-LLVKDONJSA-N 1 0 279.340 1.645 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[NH2+]C1 ZINC000071311461 176118412 /nfs/dbraw/zinc/11/84/12/176118412.db2.gz OUIFVZDGVITIBN-GFCCVEGCSA-N 1 0 265.313 1.397 20 5 CDBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CC[NH2+]C1 ZINC000071315490 176121690 /nfs/dbraw/zinc/12/16/90/176121690.db2.gz NOJDDOYFYLFOAZ-SNVBAGLBSA-N 1 0 280.328 1.147 20 5 CDBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[NH2+]C1 ZINC000071315115 176121699 /nfs/dbraw/zinc/12/16/99/176121699.db2.gz ZBKOIKXBWGONTL-LLVKDONJSA-N 1 0 295.314 1.948 20 5 CDBDRO C[C@H](C[NH3+])Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000235465060 260427587 /nfs/dbraw/zinc/42/75/87/260427587.db2.gz KMRFGIBARQFLML-RXMQYKEDSA-N 1 0 264.207 1.768 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000322757698 262358785 /nfs/dbraw/zinc/35/87/85/262358785.db2.gz FPAHGSQFGFULKU-SNVBAGLBSA-N 1 0 265.313 1.517 20 5 CDBDRO C[C@H](O)C[NH+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000189290135 270275841 /nfs/dbraw/zinc/27/58/41/270275841.db2.gz SLMUNYONMCQRRH-NSHDSACASA-N 1 0 297.330 1.232 20 5 CDBDRO [NH3+][C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000399029037 270367176 /nfs/dbraw/zinc/36/71/76/270367176.db2.gz KZGXKZUDYNKWMV-CYBMUJFWSA-N 1 0 277.324 1.381 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000237459416 274215245 /nfs/dbraw/zinc/21/52/45/274215245.db2.gz YYWPTOPUUJKVAE-ZETCQYMHSA-N 1 0 271.704 1.667 20 5 CDBDRO C[C@@](C[NH3+])(NCc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000430564081 274447941 /nfs/dbraw/zinc/44/79/41/274447941.db2.gz YHSGFOOJSYIGAM-ZDUSSCGKSA-N 1 0 267.304 1.951 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000261865416 274507720 /nfs/dbraw/zinc/50/77/20/274507720.db2.gz YLWHKDSAPHGOAQ-YUMQZZPRSA-N 1 0 293.352 1.773 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+]([C@@H]3COC[C@H]3O)C2)cc1 ZINC000451543202 275037366 /nfs/dbraw/zinc/03/73/66/275037366.db2.gz BHJHYQNKTYGGAU-BPLDGKMQSA-N 1 0 292.335 1.534 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CNCCO1)CCC2 ZINC000423543176 275037839 /nfs/dbraw/zinc/03/78/39/275037839.db2.gz BOIFUCFWTUPEJA-HIFRSBDPSA-N 1 0 291.351 1.550 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC000261658354 275041206 /nfs/dbraw/zinc/04/12/06/275041206.db2.gz YTQYOFJJIRTNFR-LDYMZIIASA-N 1 0 282.731 1.831 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](C3CCCC3)C2)nc1 ZINC000302174339 275041488 /nfs/dbraw/zinc/04/14/88/275041488.db2.gz WHXUXYAVQMKSBM-JTQLQIEISA-N 1 0 277.328 1.814 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000262487064 276270485 /nfs/dbraw/zinc/27/04/85/276270485.db2.gz SSYPBTOQRJKLQU-SECBINFHSA-N 1 0 251.286 1.323 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[NH2+]C ZINC000423646746 276382118 /nfs/dbraw/zinc/38/21/18/276382118.db2.gz ZPXKNHJNYXUOCH-SECBINFHSA-N 1 0 281.312 1.331 20 5 CDBDRO CC(=O)NCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178642445 277031930 /nfs/dbraw/zinc/03/19/30/277031930.db2.gz HEXRSLGGXNMLAM-JTQLQIEISA-N 1 0 265.313 1.772 20 5 CDBDRO C[NH2+]CC1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000162858234 277265413 /nfs/dbraw/zinc/26/54/13/277265413.db2.gz GHGVNNHWLMDBAT-UHFFFAOYSA-N 1 0 264.329 1.734 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000262811880 277936924 /nfs/dbraw/zinc/93/69/24/277936924.db2.gz OUTLSVOFLLOYLZ-SKDRFNHKSA-N 1 0 293.323 1.331 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000191993950 278309679 /nfs/dbraw/zinc/30/96/79/278309679.db2.gz DUVNZWWDBWFNIM-NXEZZACHSA-N 1 0 280.328 1.106 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000235327644 278542734 /nfs/dbraw/zinc/54/27/34/278542734.db2.gz GRQLENLEATVSJH-MFKMUULPSA-N 1 0 277.324 1.794 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000274399502 279297119 /nfs/dbraw/zinc/29/71/19/279297119.db2.gz GIBFBEUYBCXMJU-SSDOTTSWSA-N 1 0 279.321 1.887 20 5 CDBDRO C[C@H](Cn1cc(Cl)cc([N+](=O)[O-])c1=O)[NH+](C)C ZINC000331069046 279385657 /nfs/dbraw/zinc/38/56/57/279385657.db2.gz BGPIENNMCFGCNJ-SSDOTTSWSA-N 1 0 259.693 1.360 20 5 CDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N[C@H]1CCC[NH2+]C1 ZINC000214327567 280087417 /nfs/dbraw/zinc/08/74/17/280087417.db2.gz BOMBZVHWPQFNJW-DGMVEKRQSA-N 1 0 275.308 1.476 20 5 CDBDRO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000226775137 280101966 /nfs/dbraw/zinc/10/19/66/280101966.db2.gz QGPLRCWKRCOMGW-YUMQZZPRSA-N 1 0 256.331 1.946 20 5 CDBDRO CC(C)([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000236783326 280138734 /nfs/dbraw/zinc/13/87/34/280138734.db2.gz DWJWJJUQEPVDAH-UHFFFAOYSA-N 1 0 263.297 1.217 20 5 CDBDRO CCc1ccc(C(=O)NC[C@@H](C)C[NH2+]C)cc1[N+](=O)[O-] ZINC000236963803 280149942 /nfs/dbraw/zinc/14/99/42/280149942.db2.gz CPJRDPGRZLRKFX-JTQLQIEISA-N 1 0 279.340 1.743 20 5 CDBDRO O=C([C@@H]1CCCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000237938017 280194145 /nfs/dbraw/zinc/19/41/45/280194145.db2.gz ZQVIIGGXGXEELW-AWEZNQCLSA-N 1 0 289.335 1.622 20 5 CDBDRO CC[C@@H]1CCC[C@@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515166476 280880674 /nfs/dbraw/zinc/88/06/74/280880674.db2.gz RCNATGDGBNATQS-BZPMIXESSA-N 1 0 296.371 1.568 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000229098629 281013010 /nfs/dbraw/zinc/01/30/10/281013010.db2.gz ZFGJLGOHOUGJQT-KOLCDFICSA-N 1 0 264.329 1.719 20 5 CDBDRO COc1ccc(CC(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000524445383 281110938 /nfs/dbraw/zinc/11/09/38/281110938.db2.gz IFHQMLSVEXQGNR-UHFFFAOYSA-N 1 0 295.339 1.214 20 5 CDBDRO C[C@H](CCO)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447527917 289496578 /nfs/dbraw/zinc/49/65/78/289496578.db2.gz HJPGKTOKNLUKES-FRRDWIJNSA-N 1 0 296.371 1.883 20 5 CDBDRO C[C@@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+]1CC(C)C1 ZINC000561337202 293079879 /nfs/dbraw/zinc/07/98/79/293079879.db2.gz LQWGKJBNIBBCKV-LBPRGKRZSA-N 1 0 291.351 1.594 20 5 CDBDRO CC[NH2+]CCCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000572760291 294687363 /nfs/dbraw/zinc/68/73/63/294687363.db2.gz MAFREFQJNLEFHQ-UHFFFAOYSA-N 1 0 281.312 1.089 20 5 CDBDRO COc1cccc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1[N+](=O)[O-] ZINC000261848968 295306137 /nfs/dbraw/zinc/30/61/37/295306137.db2.gz WOGXHJZZNUFVKV-QWRGUYRKSA-N 1 0 277.324 1.792 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCSC2)c1 ZINC000563806109 316373005 /nfs/dbraw/zinc/37/30/05/316373005.db2.gz OBLZSPWNWMTDFV-JQWIXIFHSA-N 1 0 298.364 1.430 20 5 CDBDRO Cc1nc(N2CCc3ccccc3[C@@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000570211439 316932953 /nfs/dbraw/zinc/93/29/53/316932953.db2.gz DPEGZVUTLRAKMH-ZDUSSCGKSA-N 1 0 299.334 1.756 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000576347146 317122572 /nfs/dbraw/zinc/12/25/72/317122572.db2.gz KQVVRDDQRILJEU-UWVGGRQHSA-N 1 0 292.339 1.376 20 5 CDBDRO COc1ccc(CC(=O)NC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000577868247 317423139 /nfs/dbraw/zinc/42/31/39/317423139.db2.gz CWVDXWXNLDHJPX-LLVKDONJSA-N 1 0 295.339 1.245 20 5 CDBDRO COc1ccc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000381473129 323627695 /nfs/dbraw/zinc/62/76/95/323627695.db2.gz LTRUGUWNVNHKJZ-SFYZADRCSA-N 1 0 267.285 1.069 20 5 CDBDRO Cc1ccc(C(=O)N(C)C2(C[NH3+])CCC2)cc1[N+](=O)[O-] ZINC000385427019 323706210 /nfs/dbraw/zinc/70/62/10/323706210.db2.gz CVBPYZSLFHUOAQ-UHFFFAOYSA-N 1 0 277.324 1.857 20 5 CDBDRO CC(C)CC[C@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000580183084 324390035 /nfs/dbraw/zinc/39/00/35/324390035.db2.gz SCGOJJPKDUIADD-LBPRGKRZSA-N 1 0 270.333 1.178 20 5 CDBDRO COc1cc(CN[C@@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000582965644 325080057 /nfs/dbraw/zinc/08/00/57/325080057.db2.gz UGARTLALVHCYDT-ZJUUUORDSA-N 1 0 297.355 1.827 20 5 CDBDRO COC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001227560960 1160333342 /nfs/dbraw/zinc/33/33/42/1160333342.db2.gz FAYFXBRZQURETI-NSHDSACASA-N 1 0 252.334 1.947 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000287455613 533733953 /nfs/dbraw/zinc/73/39/53/533733953.db2.gz GTUAIKJOJXBDAY-VIFPVBQESA-N 1 0 266.301 1.666 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)COc2ccccc2)C1 ZINC001168967144 1161996234 /nfs/dbraw/zinc/99/62/34/1161996234.db2.gz NRNSTLSAPYXGQG-MCIONIFRSA-N 1 0 294.351 1.461 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000186869972 534090575 /nfs/dbraw/zinc/09/05/75/534090575.db2.gz QUAQQORBGLVFII-FKULILBMSA-N 1 0 289.335 1.722 20 5 CDBDRO C[NH2+]CCNc1ncnc2cc(OC)c([N+](=O)[O-])cc21 ZINC001156891922 1162038188 /nfs/dbraw/zinc/03/81/88/1162038188.db2.gz GMHQVVAKKMBVOP-UHFFFAOYSA-N 1 0 277.284 1.178 20 5 CDBDRO CC1(C)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000159406366 520431501 /nfs/dbraw/zinc/43/15/01/520431501.db2.gz ARPSYXXNQZRXTR-UHFFFAOYSA-N 1 0 295.314 1.487 20 5 CDBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCC(=O)OC ZINC000064570070 521150575 /nfs/dbraw/zinc/15/05/75/521150575.db2.gz UZFCZDVWJWWSMO-UHFFFAOYSA-N 1 0 296.323 1.859 20 5 CDBDRO CCNC(=O)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000339333805 521746257 /nfs/dbraw/zinc/74/62/57/521746257.db2.gz APMHMJNXEYZLFS-CQSZACIVSA-N 1 0 293.367 1.888 20 5 CDBDRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196784 524078268 /nfs/dbraw/zinc/07/82/68/524078268.db2.gz GDJVQJGXFHMXIH-IUCAKERBSA-N 1 0 294.311 1.090 20 5 CDBDRO C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C1C[NH2+]C1 ZINC000164104991 524209950 /nfs/dbraw/zinc/20/99/50/524209950.db2.gz RXTUIXHDDPVOSL-SECBINFHSA-N 1 0 263.297 1.067 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH3+] ZINC000235354286 524869406 /nfs/dbraw/zinc/86/94/06/524869406.db2.gz PIPCPFUSFVMAIL-HQJQHLMTSA-N 1 0 267.260 1.153 20 5 CDBDRO C[C@@H]([NH2+]CCOCCO)c1cccc([N+](=O)[O-])c1 ZINC000020199270 525452605 /nfs/dbraw/zinc/45/26/05/525452605.db2.gz FXVKXYLAXKDYIC-SNVBAGLBSA-N 1 0 254.286 1.254 20 5 CDBDRO CC(=O)c1ccc(NC[C@@H]2C[NH2+]CCN2C)c([N+](=O)[O-])c1 ZINC000420275619 534868619 /nfs/dbraw/zinc/86/86/19/534868619.db2.gz OGZVUYSRUMOLLU-LBPRGKRZSA-N 1 0 292.339 1.113 20 5 CDBDRO C[NH2+]CCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423731844 536443563 /nfs/dbraw/zinc/44/35/63/536443563.db2.gz YPGQDJAFBHPZEY-UHFFFAOYSA-N 1 0 277.324 1.695 20 5 CDBDRO O=C(N[C@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000052093004 527052698 /nfs/dbraw/zinc/05/26/98/527052698.db2.gz NGTMGGDATMODPE-ZETCQYMHSA-N 1 0 269.688 1.340 20 5 CDBDRO CCc1[nH]nc(-c2nc(C3([NH3+])CCCC3)no2)c1[N+](=O)[O-] ZINC000414622825 535998281 /nfs/dbraw/zinc/99/82/81/535998281.db2.gz CNJMFXQXVXXKPA-UHFFFAOYSA-N 1 0 292.299 1.658 20 5 CDBDRO C[NH2+][C@H](C)Cc1noc(-c2cc(C)cc([N+](=O)[O-])c2N)n1 ZINC000261737024 536404879 /nfs/dbraw/zinc/40/48/79/536404879.db2.gz KRRKHQOSGBBGAX-MRVPVSSYSA-N 1 0 291.311 1.686 20 5 CDBDRO C[NH+](C)C[C@H](O)CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000731208396 575038007 /nfs/dbraw/zinc/03/80/07/575038007.db2.gz FMVIRPQPYNMDAC-SECBINFHSA-N 1 0 296.352 1.539 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](CO)C1CC1 ZINC000734165034 575161404 /nfs/dbraw/zinc/16/14/04/575161404.db2.gz SKCBTJXAXAIUBG-HSBHDXMMSA-N 1 0 262.309 1.969 20 5 CDBDRO CN1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000774165667 575186072 /nfs/dbraw/zinc/18/60/72/575186072.db2.gz QOCJQQWBHCOWTE-XQQFMLRXSA-N 1 0 293.371 1.569 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](CCO)C2CC2)c1 ZINC000771807441 575615805 /nfs/dbraw/zinc/61/58/05/575615805.db2.gz ZMWJYYDIGBODEG-KBPBESRZSA-N 1 0 280.324 1.379 20 5 CDBDRO CC[N@@H+](CCc1ccccn1)CCn1ccc([N+](=O)[O-])n1 ZINC000747958760 576890367 /nfs/dbraw/zinc/89/03/67/576890367.db2.gz CEDFEZGIDRNQMK-UHFFFAOYSA-N 1 0 289.339 1.751 20 5 CDBDRO C[C@@H]1OCC[C@]1(C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000755170497 576934134 /nfs/dbraw/zinc/93/41/34/576934134.db2.gz SKJCKJVXLYYCKR-BPNCWPANSA-N 1 0 280.324 1.785 20 5 CDBDRO Cc1nccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000749678447 576957327 /nfs/dbraw/zinc/95/73/27/576957327.db2.gz SADPNWHIJNZQGI-CQSZACIVSA-N 1 0 288.307 1.516 20 5 CDBDRO C[NH+]1CCC([C@@H]2CCN(Cn3nccc3[N+](=O)[O-])C2)CC1 ZINC000755780514 576960740 /nfs/dbraw/zinc/96/07/40/576960740.db2.gz NWLUOKPZZREOFZ-CYBMUJFWSA-N 1 0 293.371 1.413 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000892123101 617493499 /nfs/dbraw/zinc/49/34/99/617493499.db2.gz IAVLGZZWEQVJCW-UHFFFAOYSA-N 1 0 281.360 1.639 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1COC(C)(C)O1 ZINC000892939499 617932894 /nfs/dbraw/zinc/93/28/94/617932894.db2.gz QVPBHCHVKDSDCF-LBPRGKRZSA-N 1 0 296.323 1.845 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000931044369 617588856 /nfs/dbraw/zinc/58/88/56/617588856.db2.gz APRWGLZBZLRDIA-DOMZBBRYSA-N 1 0 293.367 1.998 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000604467892 617699626 /nfs/dbraw/zinc/69/96/26/617699626.db2.gz SFVQFDZOHKBMLH-LLVKDONJSA-N 1 0 294.355 1.490 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1COCO1 ZINC000894891090 619125996 /nfs/dbraw/zinc/12/59/96/619125996.db2.gz YGHUYBKEADXUHM-NSHDSACASA-N 1 0 266.297 1.674 20 5 CDBDRO C[C@H](Nc1ncccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895246888 619493765 /nfs/dbraw/zinc/49/37/65/619493765.db2.gz QXOUJWOLVXHDEZ-CMPLNLGQSA-N 1 0 279.344 1.036 20 5 CDBDRO COc1c(O)ccc(C[NH2+]CCOCCF)c1[N+](=O)[O-] ZINC000895479242 619688406 /nfs/dbraw/zinc/68/84/06/619688406.db2.gz NTSURAADLABTLJ-UHFFFAOYSA-N 1 0 288.275 1.385 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+]CCCON)cc1[N+](=O)[O-] ZINC000902432247 624803251 /nfs/dbraw/zinc/80/32/51/624803251.db2.gz OYKMSKSKVGZTBN-SNVBAGLBSA-N 1 0 253.302 1.834 20 5 CDBDRO O=[N+]([O-])CCNCc1ccnc(OCC(F)(F)F)c1 ZINC000905050924 626387049 /nfs/dbraw/zinc/38/70/49/626387049.db2.gz XMIHZRFIFWEOBI-UHFFFAOYSA-N 1 0 279.218 1.389 20 5 CDBDRO COc1ccccc1OC[C@H](C)C[NH2+]CC[N+](=O)[O-] ZINC000905191770 626669482 /nfs/dbraw/zinc/66/94/82/626669482.db2.gz QOPWUJPRIRCQCU-LLVKDONJSA-N 1 0 268.313 1.576 20 5 CDBDRO CC(C)(C)OC(=O)N1CC=C(C[NH2+]CC[N+](=O)[O-])CC1 ZINC000905220364 626698475 /nfs/dbraw/zinc/69/84/75/626698475.db2.gz XZOZZAFGMSABNE-UHFFFAOYSA-N 1 0 285.344 1.420 20 5 CDBDRO CC(C)(C)OC(=O)N1CC=C(CC[NH2+]CC[N+](=O)[O-])CC1 ZINC000905247165 626702725 /nfs/dbraw/zinc/70/27/25/626702725.db2.gz HFGYKDUMLQEHDJ-UHFFFAOYSA-N 1 0 299.371 1.810 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000905271252 626727250 /nfs/dbraw/zinc/72/72/50/626727250.db2.gz BKNYPIUTRCNHQC-UHFFFAOYSA-N 1 0 296.396 1.920 20 5 CDBDRO C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]CC[N+](=O)[O-] ZINC000905363831 626783900 /nfs/dbraw/zinc/78/39/00/626783900.db2.gz GUKRPHQJLPFQIZ-CABZTGNLSA-N 1 0 256.277 1.504 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000911734179 629455812 /nfs/dbraw/zinc/45/58/12/629455812.db2.gz JWNXVKXMFKODRO-BPNCWPANSA-N 1 0 289.335 1.506 20 5 CDBDRO CC[NH+](CC)CCOC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000914709852 631549694 /nfs/dbraw/zinc/54/96/94/631549694.db2.gz IEZOJIGQGZKVPN-UHFFFAOYSA-N 1 0 296.323 1.859 20 5 CDBDRO C[NH+]1CCC2(CCN2C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000889225757 679751895 /nfs/dbraw/zinc/75/18/95/679751895.db2.gz DUZPUQIDFJSUQT-UHFFFAOYSA-N 1 0 289.335 1.905 20 5 CDBDRO O=C1[C@@H]([N@@H+]2C[C@@H]3C[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000886345419 679752491 /nfs/dbraw/zinc/75/24/91/679752491.db2.gz ZSQKEBJLWJEFMM-WDMOLILDSA-N 1 0 287.319 1.652 20 5 CDBDRO Cc1cnc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000252513116 679760685 /nfs/dbraw/zinc/76/06/85/679760685.db2.gz KRBCUDIMASFGPW-RYUDHWBXSA-N 1 0 292.339 1.573 20 5 CDBDRO COc1cc(N2CC[C@@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000127388445 679769356 /nfs/dbraw/zinc/76/93/56/679769356.db2.gz QSJAATWLPGYZDA-VHSXEESVSA-N 1 0 265.313 1.777 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])s1)C1CCC([NH3+])CC1 ZINC000091845694 679771864 /nfs/dbraw/zinc/77/18/64/679771864.db2.gz NTZAFAMCZQYKOJ-UHFFFAOYSA-N 1 0 283.353 1.998 20 5 CDBDRO [NH3+]C1(Cc2nc(Cc3ccc([N+](=O)[O-])cn3)no2)CCC1 ZINC000843191570 679775311 /nfs/dbraw/zinc/77/53/11/679775311.db2.gz JMVFGQCIFGKPFN-UHFFFAOYSA-N 1 0 289.295 1.388 20 5 CDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCC2CCCC2)C1 ZINC001042710800 679797553 /nfs/dbraw/zinc/79/75/53/679797553.db2.gz JNRZOVVYUKTZHW-ZIAGYGMSSA-N 1 0 295.383 1.375 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818015545 679799295 /nfs/dbraw/zinc/79/92/95/679799295.db2.gz SAECFZCNABYFGN-CQSZACIVSA-N 1 0 275.308 1.563 20 5 CDBDRO CC[N@H+](CCNc1cc[nH]c(=O)c1[N+](=O)[O-])C(C)C ZINC000853253754 679806984 /nfs/dbraw/zinc/80/69/84/679806984.db2.gz RVCPUHAMJIRQML-UHFFFAOYSA-N 1 0 268.317 1.838 20 5 CDBDRO COc1cc(N[C@H]2CC[N@H+](C)C2)cnc1[N+](=O)[O-] ZINC001167278569 1158556067 /nfs/dbraw/zinc/55/60/67/1158556067.db2.gz MSEWASKGNUCMMK-QMMMGPOBSA-N 1 0 252.274 1.114 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc(C[C@H]3C[NH2+]CCO3)n2)cc1 ZINC000091294952 679830862 /nfs/dbraw/zinc/83/08/62/679830862.db2.gz BQLFAUUVMSHHTM-NSHDSACASA-N 1 0 290.279 1.176 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000818582409 681692409 /nfs/dbraw/zinc/69/24/09/681692409.db2.gz ODSJCBAOFVIQIE-SECBINFHSA-N 1 0 299.302 1.227 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H](CO)C1CC1)OCCO2 ZINC000883002789 681704041 /nfs/dbraw/zinc/70/40/41/681704041.db2.gz OUMGBJRUNYHQRF-NSHDSACASA-N 1 0 294.307 1.227 20 5 CDBDRO C[N@H+](CCO)CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000884825142 681718821 /nfs/dbraw/zinc/71/88/21/681718821.db2.gz HPFPHVMQVMAORO-UHFFFAOYSA-N 1 0 290.323 1.479 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886172179 681845248 /nfs/dbraw/zinc/84/52/48/681845248.db2.gz XSJBVTDQHRSQNH-CYBMUJFWSA-N 1 0 278.356 1.906 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000876510094 681930070 /nfs/dbraw/zinc/93/00/70/681930070.db2.gz OQEFFDWMESEHRM-UHFFFAOYSA-N 1 0 279.340 1.941 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000843509524 681957929 /nfs/dbraw/zinc/95/79/29/681957929.db2.gz ZEFMYYCPEVLNJQ-IUCAKERBSA-N 1 0 283.303 1.898 20 5 CDBDRO O=[N+]([O-])c1cccc(OCCN2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000420410662 682041125 /nfs/dbraw/zinc/04/11/25/682041125.db2.gz WUUBTTMGNGCAMV-HNNXBMFYSA-N 1 0 291.351 1.802 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000127672986 682068135 /nfs/dbraw/zinc/06/81/35/682068135.db2.gz CVGZPOAUGSERCU-UHFFFAOYSA-N 1 0 283.303 1.981 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000228959851 682128925 /nfs/dbraw/zinc/12/89/25/682128925.db2.gz FSWJWDDATIIWPS-ZJUUUORDSA-N 1 0 277.324 1.913 20 5 CDBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CNCCOC2)cc1 ZINC000925569946 682176264 /nfs/dbraw/zinc/17/62/64/682176264.db2.gz BPVVKPAWQMAQRN-CQSZACIVSA-N 1 0 293.367 1.496 20 5 CDBDRO Cc1c(C[NH2+]C[C@H]2CCCS2(=O)=O)cccc1[N+](=O)[O-] ZINC000134067139 682239213 /nfs/dbraw/zinc/23/92/13/682239213.db2.gz ZIHCWSAIXHMDPA-GFCCVEGCSA-N 1 0 298.364 1.570 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000702055544 682266311 /nfs/dbraw/zinc/26/63/11/682266311.db2.gz MEQUZOWTHZNDET-MRVPVSSYSA-N 1 0 269.688 1.421 20 5 CDBDRO [NH2+]=C(NCCc1cccc([N+](=O)[O-])c1)N1CCSCC1 ZINC000849001491 682564950 /nfs/dbraw/zinc/56/49/50/682564950.db2.gz KEOFHJCIBYUVIJ-UHFFFAOYSA-N 1 0 294.380 1.710 20 5 CDBDRO Nc1ccc(OCC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000818617772 682568575 /nfs/dbraw/zinc/56/85/75/682568575.db2.gz JJXNVXZJFCXVQO-SECBINFHSA-N 1 0 251.286 1.555 20 5 CDBDRO Cn1ccnc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000105909062 682604872 /nfs/dbraw/zinc/60/48/72/682604872.db2.gz VFMVDVBFMLTTGG-LBPRGKRZSA-N 1 0 276.296 1.152 20 5 CDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CC2CCC2)CC1 ZINC000996428433 682610328 /nfs/dbraw/zinc/61/03/28/682610328.db2.gz CQDXSHLBFRKBEP-CHWSQXEVSA-N 1 0 281.356 1.032 20 5 CDBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000886076344 682643769 /nfs/dbraw/zinc/64/37/69/682643769.db2.gz NEJYTLMVMDVINZ-UHFFFAOYSA-N 1 0 279.340 1.973 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000843056417 682698863 /nfs/dbraw/zinc/69/88/63/682698863.db2.gz JGQHJXNWGROUFH-RNCFNFMXSA-N 1 0 299.758 1.796 20 5 CDBDRO C[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850579460 682705986 /nfs/dbraw/zinc/70/59/86/682705986.db2.gz XSHBRFZDXDXNHF-SZEHBUNVSA-N 1 0 251.286 1.351 20 5 CDBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1F)[C@H]1CCC[N@H+](C)C1 ZINC000053245463 682797588 /nfs/dbraw/zinc/79/75/88/682797588.db2.gz GXRIACAJHIGRTP-NSHDSACASA-N 1 0 295.314 1.900 20 5 CDBDRO C[C@H](O)[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000930140534 682828702 /nfs/dbraw/zinc/82/87/02/682828702.db2.gz CIMOXRDFLVYKCM-IINYFYTJSA-N 1 0 280.324 1.301 20 5 CDBDRO COC(=O)CC[N@H+](Cc1cccnc1[N+](=O)[O-])C(C)C ZINC000886009943 682832087 /nfs/dbraw/zinc/83/20/87/682832087.db2.gz BLLXKQNLHGTSAS-UHFFFAOYSA-N 1 0 281.312 1.763 20 5 CDBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000884355202 682834557 /nfs/dbraw/zinc/83/45/57/682834557.db2.gz IKVAEIPWPWYOJR-STQMWFEESA-N 1 0 291.351 1.769 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2CC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000237657721 682853587 /nfs/dbraw/zinc/85/35/87/682853587.db2.gz YIEWIBXDSXAGKJ-SECBINFHSA-N 1 0 267.260 1.216 20 5 CDBDRO O=[N+]([O-])CCN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000930442504 683068934 /nfs/dbraw/zinc/06/89/34/683068934.db2.gz RLTZJGKYMPGPAQ-UHFFFAOYSA-N 1 0 286.335 1.634 20 5 CDBDRO Cc1ccc(C[NH2+]CCc2ccnn2C)cc1[N+](=O)[O-] ZINC000231032861 683069978 /nfs/dbraw/zinc/06/99/78/683069978.db2.gz LIVBUUSQNPQZBN-UHFFFAOYSA-N 1 0 274.324 1.969 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(Cc3cccnc3[N+](=O)[O-])CC[C@@H]21 ZINC000886310509 683096936 /nfs/dbraw/zinc/09/69/36/683096936.db2.gz MQHPBXBKBXQFLV-YPMHNXCESA-N 1 0 276.340 1.516 20 5 CDBDRO O=C(CO[C@H]1CCC[NH2+]C1)Nc1cccc([N+](=O)[O-])c1 ZINC000843357497 683149868 /nfs/dbraw/zinc/14/98/68/683149868.db2.gz NTRYPXKDQBKPDX-LBPRGKRZSA-N 1 0 279.296 1.302 20 5 CDBDRO C[C@H](CCNc1nc2ccccn2c1[N+](=O)[O-])[NH+](C)C ZINC000853798715 683210834 /nfs/dbraw/zinc/21/08/34/683210834.db2.gz JGDGQURSVXBYOA-SNVBAGLBSA-N 1 0 277.328 1.995 20 5 CDBDRO C[NH2+]CCCNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000121647012 683228432 /nfs/dbraw/zinc/22/84/32/683228432.db2.gz QMAJMKONVBYDOJ-UHFFFAOYSA-N 1 0 269.276 1.382 20 5 CDBDRO C[N@H+](CCNc1cc(F)c([N+](=O)[O-])cc1CO)C1CC1 ZINC000865464834 683304436 /nfs/dbraw/zinc/30/44/36/683304436.db2.gz PFMVEDHHUQETBO-UHFFFAOYSA-N 1 0 283.303 1.732 20 5 CDBDRO CCCCNC(=O)C1([NH2+]CC[N+](=O)[O-])CCCCC1 ZINC000930024288 683317501 /nfs/dbraw/zinc/31/75/01/683317501.db2.gz QQERFFCGYVKHQI-UHFFFAOYSA-N 1 0 271.361 1.472 20 5 CDBDRO [NH2+]=C(NCc1ccccc1[N+](=O)[O-])NCC(F)F ZINC000887348676 683330961 /nfs/dbraw/zinc/33/09/61/683330961.db2.gz SRVXVJVMRAMISL-UHFFFAOYSA-N 1 0 258.228 1.474 20 5 CDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC[C@H]1O ZINC000872141081 683338113 /nfs/dbraw/zinc/33/81/13/683338113.db2.gz KRAWRQLKDNAQIK-NJZAAPMLSA-N 1 0 294.351 1.655 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000261776188 683356188 /nfs/dbraw/zinc/35/61/88/683356188.db2.gz PCCUWPMMBJECRA-ZDUSSCGKSA-N 1 0 278.312 1.797 20 5 CDBDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178861433 683381874 /nfs/dbraw/zinc/38/18/74/683381874.db2.gz IXUKYMIFTCHEDL-CQDKDKBSSA-N 1 0 294.351 1.864 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN(C)C ZINC000866357721 683383863 /nfs/dbraw/zinc/38/38/63/683383863.db2.gz VOEOKWCLKBOZDM-JTQLQIEISA-N 1 0 269.320 1.816 20 5 CDBDRO [NH3+][C@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843346742 683526802 /nfs/dbraw/zinc/52/68/02/683526802.db2.gz YNDNCSLWUZMPJY-QMMMGPOBSA-N 1 0 298.730 1.220 20 5 CDBDRO CSCC[C@@H]([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000130906286 683570703 /nfs/dbraw/zinc/57/07/03/683570703.db2.gz QRALNXKECJYOFA-SNVBAGLBSA-N 1 0 283.353 1.922 20 5 CDBDRO O=[N+]([O-])c1ccc(Br)c(OCC2C[NH2+]C2)c1 ZINC000304569761 683648398 /nfs/dbraw/zinc/64/83/98/683648398.db2.gz ZUDFZMOEADGMIJ-UHFFFAOYSA-N 1 0 287.113 1.956 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000882959734 683667827 /nfs/dbraw/zinc/66/78/27/683667827.db2.gz OLMRTWTUPHPXMA-VIFPVBQESA-N 1 0 294.311 1.283 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000700627945 683739346 /nfs/dbraw/zinc/73/93/46/683739346.db2.gz SWDSVKCBXHMVLD-VIFPVBQESA-N 1 0 297.742 1.930 20 5 CDBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886300475 683740035 /nfs/dbraw/zinc/74/00/35/683740035.db2.gz ITQFZGZSCZTSIJ-GUDRVLHUSA-N 1 0 265.313 1.891 20 5 CDBDRO C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000886100626 683839228 /nfs/dbraw/zinc/83/92/28/683839228.db2.gz SWWCAARCEKWXJZ-MNOVXSKESA-N 1 0 264.329 1.514 20 5 CDBDRO C[NH2+]CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841232127 683855709 /nfs/dbraw/zinc/85/57/09/683855709.db2.gz AVVQUWVFEPBJQY-UHFFFAOYSA-N 1 0 272.692 1.589 20 5 CDBDRO CC[C@H]1CC[C@H]1[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877830444 683874795 /nfs/dbraw/zinc/87/47/95/683874795.db2.gz HJPOHCFZVLGOEE-CJYSPXJISA-N 1 0 294.351 1.767 20 5 CDBDRO C[NH2+]CCCN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923381020 683877191 /nfs/dbraw/zinc/87/71/91/683877191.db2.gz ZIIVXSGREPAVEL-ZDUSSCGKSA-N 1 0 267.329 1.170 20 5 CDBDRO CC1(C)C[NH2+][C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000818433112 683885257 /nfs/dbraw/zinc/88/52/57/683885257.db2.gz MGQYNTYUCOSZKU-LLVKDONJSA-N 1 0 297.742 1.862 20 5 CDBDRO C[C@H](CN1CCOCC1)Nc1cccc(F)c1[N+](=O)[O-] ZINC000048805690 683990847 /nfs/dbraw/zinc/99/08/47/683990847.db2.gz QGFZHLZJANKYBG-SNVBAGLBSA-N 1 0 283.303 1.867 20 5 CDBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)[C@@H](C)O ZINC000929338079 684012416 /nfs/dbraw/zinc/01/24/16/684012416.db2.gz PJGBUHZMMNIKQK-RISCZKNCSA-N 1 0 282.340 1.547 20 5 CDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001021760326 684072478 /nfs/dbraw/zinc/07/24/78/684072478.db2.gz BHJLRSHXHQBTEV-BETUJISGSA-N 1 0 289.335 1.742 20 5 CDBDRO CC(C)[C@H]([NH3+])c1noc(-c2cc([N+](=O)[O-])cn2C)n1 ZINC000843148350 684074398 /nfs/dbraw/zinc/07/43/98/684074398.db2.gz QHDAJYICSLXBEE-VIFPVBQESA-N 1 0 265.273 1.639 20 5 CDBDRO Cc1nn(C)c(N2CCC(C)([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC000882964553 684179812 /nfs/dbraw/zinc/17/98/12/684179812.db2.gz HOAAXIPJGOFHRQ-UHFFFAOYSA-N 1 0 293.371 1.701 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000261753486 684283361 /nfs/dbraw/zinc/28/33/61/684283361.db2.gz CHZRVHCZTHXMQQ-PHIMTYICSA-N 1 0 281.743 1.899 20 5 CDBDRO CCOC(=O)c1ccc(NCC2C[NH+](C)C2)c([N+](=O)[O-])c1 ZINC001170256497 1162318455 /nfs/dbraw/zinc/31/84/55/1162318455.db2.gz OZLKWKBJNHJQFQ-UHFFFAOYSA-N 1 0 293.323 1.745 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]CCCCO)c([N+](=O)[O-])c1 ZINC001170294818 1162328078 /nfs/dbraw/zinc/32/80/78/1162328078.db2.gz CXUOQQUOGPYSLX-LLVKDONJSA-N 1 0 282.340 1.897 20 5 CDBDRO COc1cc(C)nc(N2CCC[C@@H]([NH3+])[C@@H]2C)c1[N+](=O)[O-] ZINC001157742923 1162380230 /nfs/dbraw/zinc/38/02/30/1162380230.db2.gz SLHILMVZBQLIRA-VHSXEESVSA-N 1 0 280.328 1.623 20 5 CDBDRO Cc1cccc(NCCN(C)CC[NH3+])c1[N+](=O)[O-] ZINC001170502044 1162664335 /nfs/dbraw/zinc/66/43/35/1162664335.db2.gz JTRNGBRMAVOCMH-UHFFFAOYSA-N 1 0 252.318 1.206 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[N@@H+]3CC[C@H]3C2)n1 ZINC001158424694 1162981946 /nfs/dbraw/zinc/98/19/46/1162981946.db2.gz XLGGUFDVBJLZAX-VIFPVBQESA-N 1 0 282.731 1.846 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C)CC1 ZINC000048176507 1166440005 /nfs/dbraw/zinc/44/00/05/1166440005.db2.gz GGFFEBPDZFGTPR-UHFFFAOYSA-N 1 0 292.339 1.414 20 5 CDBDRO O=[N+]([O-])c1ccnc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001155592811 1167249535 /nfs/dbraw/zinc/24/95/35/1167249535.db2.gz SIEUZDPLDQKPMD-RISCZKNCSA-N 1 0 292.339 1.560 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@@H]([NH3+])[C@@H]2C[C@@H]21 ZINC001578760314 1171996612 /nfs/dbraw/zinc/99/66/12/1171996612.db2.gz NKMRUODAADVSMU-ZRUFSTJUSA-N 1 0 290.323 1.558 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001579178715 1172110635 /nfs/dbraw/zinc/11/06/35/1172110635.db2.gz AYNOJBNPWSEDFI-AOOOYVTPSA-N 1 0 291.307 1.180 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC001579242632 1172125395 /nfs/dbraw/zinc/12/53/95/1172125395.db2.gz UYDZQCSKWLJOJG-RKDXNWHRSA-N 1 0 294.311 1.557 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC1([NH3+])CC1 ZINC001579577359 1172216328 /nfs/dbraw/zinc/21/63/28/1172216328.db2.gz QGQVBSSCONAVRB-UHFFFAOYSA-N 1 0 278.312 1.824 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)n1 ZINC001579642697 1172232954 /nfs/dbraw/zinc/23/29/54/1172232954.db2.gz QYNXQNKFWJAVSX-NSHDSACASA-N 1 0 280.328 1.401 20 5 CDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)C12CCC(CC1)[NH2+]2 ZINC001580699641 1172516597 /nfs/dbraw/zinc/51/65/97/1172516597.db2.gz UDQMEMOMPUHBGM-UHFFFAOYSA-N 1 0 289.335 1.538 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(N3CC4(C3)CC[NH2+]C4)c2c1 ZINC001580875243 1172557994 /nfs/dbraw/zinc/55/79/94/1172557994.db2.gz GEUISMHBSSMJFU-UHFFFAOYSA-N 1 0 285.307 1.338 20 5 CDBDRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CCC1 ZINC001591137094 1173577530 /nfs/dbraw/zinc/57/75/30/1173577530.db2.gz REMHHTBJJSFRFN-UHFFFAOYSA-N 1 0 288.311 1.759 20 5 CDBDRO C[C@H]1C[C@H](C)[NH+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603847628 1175653614 /nfs/dbraw/zinc/65/36/14/1175653614.db2.gz RMYMWCZIXVXRDF-IUCAKERBSA-N 1 0 288.311 1.758 20 5 CDBDRO CC(C)C[C@@H](CO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158628207 1178226011 /nfs/dbraw/zinc/22/60/11/1178226011.db2.gz UDQWHXDLJQZSTB-GXTWGEPZSA-N 1 0 282.340 1.625 20 5 CDBDRO Cc1cc(C(=O)NCCC(C)(C)[NH3+])cc([N+](=O)[O-])c1 ZINC000405908791 1186581986 /nfs/dbraw/zinc/58/19/86/1186581986.db2.gz SWNLMKOOYIYGSI-UHFFFAOYSA-N 1 0 265.313 1.760 20 5 CDBDRO CC(C)C[NH+]1CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001164652418 719328860 /nfs/dbraw/zinc/32/88/60/719328860.db2.gz LTPVSIMXVZJGNW-UHFFFAOYSA-N 1 0 280.328 1.006 20 5 CDBDRO C[C@@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)[NH+](C)C ZINC000865437173 1164646313 /nfs/dbraw/zinc/64/63/13/1164646313.db2.gz BSFBXHXZIUEYGA-QMMMGPOBSA-N 1 0 271.292 1.588 20 5 CDBDRO Cc1nn(C)c(N[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000036749289 1165753530 /nfs/dbraw/zinc/75/35/30/1165753530.db2.gz AOPHYKFVPREDAJ-JTQLQIEISA-N 1 0 265.317 1.143 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+][C@H]2C[C@H]21 ZINC001580821682 1167724039 /nfs/dbraw/zinc/72/40/39/1167724039.db2.gz ADHVLEFXBJMSIW-WDEREUQCSA-N 1 0 281.699 1.435 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC(C)([NH3+])C2)c1F ZINC001173181388 912280932 /nfs/dbraw/zinc/28/09/32/912280932.db2.gz VFVGKRMULVNGCO-SECBINFHSA-N 1 0 297.330 1.707 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC(=O)N(C)CC1 ZINC001173228639 912321524 /nfs/dbraw/zinc/32/15/24/912321524.db2.gz YJZDHRJICFWGHY-GFCCVEGCSA-N 1 0 291.351 1.690 20 5 CDBDRO CC(=O)OCC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173229618 912322490 /nfs/dbraw/zinc/32/24/90/912322490.db2.gz OASHTJUOPXUUFZ-JTQLQIEISA-N 1 0 266.297 1.679 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(C)(CO)C1 ZINC001173229827 912323608 /nfs/dbraw/zinc/32/36/08/912323608.db2.gz VMTKMMFDCHVHEN-LLVKDONJSA-N 1 0 264.325 1.840 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC2(CC(O)C2)C1 ZINC001173229929 912326494 /nfs/dbraw/zinc/32/64/94/912326494.db2.gz WFGBIXRQXSHILP-LLVKDONJSA-N 1 0 276.336 1.983 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1COC1 ZINC001173213570 912336299 /nfs/dbraw/zinc/33/62/99/912336299.db2.gz GIASVPHCURAWCS-SNVBAGLBSA-N 1 0 250.298 1.762 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC2(CN(C)C2)C1 ZINC001173237503 912366313 /nfs/dbraw/zinc/36/63/13/912366313.db2.gz KQFNLGXIANEYOO-GFCCVEGCSA-N 1 0 275.352 1.773 20 5 CDBDRO Nc1cc(-n2ccnc2[C@@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001167057978 894088857 /nfs/dbraw/zinc/08/88/57/894088857.db2.gz YVGIZDYCAQOLIY-SECBINFHSA-N 1 0 288.311 1.225 20 5 CDBDRO COc1ccc(CO[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001217859976 897941260 /nfs/dbraw/zinc/94/12/60/897941260.db2.gz KMUZLCNIIRSMGA-LBPRGKRZSA-N 1 0 266.297 1.872 20 5 CDBDRO C[C@@H]1COC[C@@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000699804213 914279921 /nfs/dbraw/zinc/27/99/21/914279921.db2.gz HGQJMLBNNXHZKM-JIMOISOXSA-N 1 0 266.297 1.253 20 5 CDBDRO [NH3+]CCc1ccn(-c2ccc([N+](=O)[O-])c3cnccc32)n1 ZINC001167731114 899496170 /nfs/dbraw/zinc/49/61/70/899496170.db2.gz ZYDVYTQYKGGMAJ-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO CON1CCC([NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000692192962 900194380 /nfs/dbraw/zinc/19/43/80/900194380.db2.gz XBWBNICYHDKSEX-UHFFFAOYSA-N 1 0 279.340 1.753 20 5 CDBDRO N=C(Nc1nc(Cl)ccc1[N+](=O)[O-])SCC[NH3+] ZINC001167914462 901185761 /nfs/dbraw/zinc/18/57/61/901185761.db2.gz LTLBJGATLHUDBP-UHFFFAOYSA-N 1 0 275.721 1.682 20 5 CDBDRO CCOc1cc(-n2cc(C[NH3+])cn2)ccc1[N+](=O)[O-] ZINC001168259311 908003811 /nfs/dbraw/zinc/00/38/11/908003811.db2.gz PFBOCZMXSNJUDU-UHFFFAOYSA-N 1 0 262.269 1.638 20 5 CDBDRO COc1cc(-n2cc(C[NH3+])cn2)cc([N+](=O)[O-])c1C ZINC001168259706 908009951 /nfs/dbraw/zinc/00/99/51/908009951.db2.gz SWJOCDFAKCWYAF-UHFFFAOYSA-N 1 0 262.269 1.556 20 5 CDBDRO CCOC(=O)[C@H]1CC[C@H](OCC[N+](C)(C)C)CC1 ZINC001224776309 910703402 /nfs/dbraw/zinc/70/34/02/910703402.db2.gz VBKCAEXGJJLYAR-JOCQHMNTSA-N 1 0 258.382 1.831 20 5 CDBDRO C[NH+](C)CCC(=O)NCCCNc1ccccc1[N+](=O)[O-] ZINC001094752267 910758585 /nfs/dbraw/zinc/75/85/85/910758585.db2.gz JJFDYBCFBPDUJQ-UHFFFAOYSA-N 1 0 294.355 1.465 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N[C@@H](C)C[NH+](C)C)n1 ZINC000168935019 915798760 /nfs/dbraw/zinc/79/87/60/915798760.db2.gz YTMLKQISRMAJGV-QMMMGPOBSA-N 1 0 254.290 1.360 20 5 CDBDRO Nc1nc(N[C@H]2CC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC001161177413 936411400 /nfs/dbraw/zinc/41/14/00/936411400.db2.gz NQAVBJDZANCDSA-VIFPVBQESA-N 1 0 277.328 1.611 20 5 CDBDRO CCC1(Nc2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])C[NH2+]C1 ZINC001168580405 919270999 /nfs/dbraw/zinc/27/09/99/919270999.db2.gz ISLALHLCZPDRCN-UHFFFAOYSA-N 1 0 272.692 1.046 20 5 CDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1NC1(CC)C[NH2+]C1 ZINC001168582861 919287133 /nfs/dbraw/zinc/28/71/33/919287133.db2.gz AEZAZKRCRLFFJX-UHFFFAOYSA-N 1 0 293.323 1.935 20 5 CDBDRO CCC1(Nc2cnc(Cl)cc2[N+](=O)[O-])C[NH2+]C1 ZINC001168583970 919297444 /nfs/dbraw/zinc/29/74/44/919297444.db2.gz UWWCOLCAIYNCQF-UHFFFAOYSA-N 1 0 256.693 1.807 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2C[C@@](C)([NH3+])C2)n1 ZINC001162328760 922309851 /nfs/dbraw/zinc/30/98/51/922309851.db2.gz ZQSOAFBNYPRELU-WVSHTKLVSA-N 1 0 250.302 1.898 20 5 CDBDRO COc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)cnc1[N+](=O)[O-] ZINC001162400970 922506439 /nfs/dbraw/zinc/50/64/39/922506439.db2.gz JQSPPHPEMZGSBD-RKDXNWHRSA-N 1 0 266.301 1.680 20 5 CDBDRO Cc1nccn1CCCCNc1nn(C)cc1[N+](=O)[O-] ZINC001162598107 922801127 /nfs/dbraw/zinc/80/11/27/922801127.db2.gz NPMLHVJJWYKIFQ-UHFFFAOYSA-N 1 0 278.316 1.726 20 5 CDBDRO COc1nc(C)nc(NCC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC001168762976 923956327 /nfs/dbraw/zinc/95/63/27/923956327.db2.gz CNVJREFEMYTQQM-UHFFFAOYSA-N 1 0 297.359 1.702 20 5 CDBDRO COc1nc(N[C@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001154979256 926273067 /nfs/dbraw/zinc/27/30/67/926273067.db2.gz XRROBDWYEYKFFO-IUCAKERBSA-N 1 0 266.301 1.680 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC001154986284 926309841 /nfs/dbraw/zinc/30/98/41/926309841.db2.gz QWLCUGOAKYCUJL-RKDXNWHRSA-N 1 0 281.316 1.384 20 5 CDBDRO Cc1ncn(-c2nccnc2[N+](=O)[O-])c1CSCC[NH3+] ZINC001168783737 927411402 /nfs/dbraw/zinc/41/14/02/927411402.db2.gz OCCAQZKKIFKJQI-UHFFFAOYSA-N 1 0 294.340 1.071 20 5 CDBDRO O=C(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)Cc1ccc(F)cc1 ZINC001168985307 927573771 /nfs/dbraw/zinc/57/37/71/927573771.db2.gz DGGDIDALILYCCM-JSGCOSHPSA-N 1 0 294.326 1.972 20 5 CDBDRO [NH3+]C[C@@H]1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc21 ZINC001168985324 927574507 /nfs/dbraw/zinc/57/45/07/927574507.db2.gz DHZFOYWUIJDCNH-JHJVBQTASA-N 1 0 275.352 1.994 20 5 CDBDRO O=C1CCCCN1CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168959158 927579102 /nfs/dbraw/zinc/57/91/02/927579102.db2.gz UHDYXDAUHQEWSX-RYUDHWBXSA-N 1 0 269.345 1.034 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H]2CCN(c3ccncn3)C2)C1 ZINC001168992443 927601026 /nfs/dbraw/zinc/60/10/26/927601026.db2.gz JWBQOBMOUWPPDV-YNEHKIRRSA-N 1 0 291.355 1.090 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC3(C2)OCCO3)C1 ZINC001168993300 927601236 /nfs/dbraw/zinc/60/12/36/927601236.db2.gz MIMXTUZCPBRXBD-JHJVBQTASA-N 1 0 284.356 1.707 20 5 CDBDRO O=C1Nc2ccccc2[C@@H]1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169001702 927605210 /nfs/dbraw/zinc/60/52/10/927605210.db2.gz HPPRVLJFHULFFI-WZRBSPASSA-N 1 0 289.335 1.757 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2(O)CCCCC2)C1 ZINC001169001001 927605786 /nfs/dbraw/zinc/60/57/86/927605786.db2.gz CDUNCDVXWDHPRG-NWDGAFQWSA-N 1 0 256.346 1.717 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CN(CC(F)(F)F)C2)C1 ZINC001169002000 927606380 /nfs/dbraw/zinc/60/63/80/927606380.db2.gz IYGXGBALISCNKW-RKDXNWHRSA-N 1 0 281.278 1.268 20 5 CDBDRO O=C(NCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccs1 ZINC001169001418 927606627 /nfs/dbraw/zinc/60/66/27/927606627.db2.gz FUXIAONUOVFZQV-MNOVXSKESA-N 1 0 297.380 1.513 20 5 CDBDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@]1(C)O ZINC001169006953 927612367 /nfs/dbraw/zinc/61/23/67/927612367.db2.gz KOLVKFYOMRLKSJ-RQJABVFESA-N 1 0 270.373 1.915 20 5 CDBDRO [NH2+]=C(N[C@H]1CC[C@H](C[N+](=O)[O-])C1)n1nnc2ccccc21 ZINC001169007374 927612542 /nfs/dbraw/zinc/61/25/42/927612542.db2.gz MYQYCHPXBLJTAY-UWVGGRQHSA-N 1 0 288.311 1.249 20 5 CDBDRO CC[N@H+](CCCC(=O)OC)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169013367 927620321 /nfs/dbraw/zinc/62/03/21/927620321.db2.gz UJTCDPMGEDUEHY-NWDGAFQWSA-N 1 0 272.345 1.707 20 5 CDBDRO CCOC(=O)C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169014404 927620875 /nfs/dbraw/zinc/62/08/75/927620875.db2.gz ZJCIEGPRAHZYDW-WCQYABFASA-N 1 0 284.356 1.707 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(CO)Cc3ccccc3C2)C1 ZINC001168988157 927624488 /nfs/dbraw/zinc/62/44/88/927624488.db2.gz OMKXAHXJWZYJTG-WFASDCNBSA-N 1 0 290.363 1.551 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1ccnc2c1cccc2[N+](=O)[O-] ZINC001168988769 927627037 /nfs/dbraw/zinc/62/70/37/927627037.db2.gz BACNWXGVKFVMIW-UHFFFAOYSA-N 1 0 298.306 1.533 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2N2CCOCC2)C1 ZINC001168989908 927629638 /nfs/dbraw/zinc/62/96/38/927629638.db2.gz XSIPJHGGSYAZHJ-BARDWOONSA-N 1 0 297.399 1.275 20 5 CDBDRO CCOCC[NH+](CCOCC)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169034569 927642314 /nfs/dbraw/zinc/64/23/14/927642314.db2.gz HYKUJBRQJZRNEB-KBPBESRZSA-N 1 0 288.388 1.807 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]23CCOC3)C1 ZINC001169040038 927654497 /nfs/dbraw/zinc/65/44/97/927654497.db2.gz XEFYPJLVPKCIRC-AGIUHOORSA-N 1 0 254.330 1.687 20 5 CDBDRO CN1CC2(C1)CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169044662 927656677 /nfs/dbraw/zinc/65/66/77/927656677.db2.gz INCHBZCYXBWOSD-VXGBXAGGSA-N 1 0 253.346 1.069 20 5 CDBDRO COC[C@]12COC[C@H]1C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169018906 927659216 /nfs/dbraw/zinc/65/92/16/927659216.db2.gz DHZSSMHDVGRRLU-RFQIPJPRSA-N 1 0 284.356 1.027 20 5 CDBDRO CCN1CCO[C@@H]2C[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169024820 927663441 /nfs/dbraw/zinc/66/34/41/927663441.db2.gz RAYVDGHUDXGOFW-ZQDZILKHSA-N 1 0 297.399 1.084 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCOC[C@@H]2C2CC2)C1 ZINC001169047858 927666049 /nfs/dbraw/zinc/66/60/49/927666049.db2.gz RXPBESVLJRKDPF-RAIGVLPGSA-N 1 0 254.330 1.543 20 5 CDBDRO CO[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H](C)C1 ZINC001169050644 927670209 /nfs/dbraw/zinc/67/02/09/927670209.db2.gz CCWINVLXRIEISI-UMSGYPCISA-N 1 0 256.346 1.931 20 5 CDBDRO [NH3+]Cc1cnnn1-c1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001169308423 927944305 /nfs/dbraw/zinc/94/43/05/927944305.db2.gz MKXDZNZVDCQOFR-UHFFFAOYSA-N 1 0 296.290 1.696 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)C[C@@H]21 ZINC001157263356 929400814 /nfs/dbraw/zinc/40/08/14/929400814.db2.gz AOGXRSFPPHCAPB-SKDRFNHKSA-N 1 0 277.328 1.102 20 5 CDBDRO CC[C@H](C)[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(N)=O ZINC000887053865 931008895 /nfs/dbraw/zinc/00/88/95/931008895.db2.gz GHLXFMDZUSWIFX-ZANVPECISA-N 1 0 279.340 1.893 20 5 CDBDRO COc1cnc(NCC[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC001160963094 932251455 /nfs/dbraw/zinc/25/14/55/932251455.db2.gz AEVIDCWGRLAQOP-SNVBAGLBSA-N 1 0 280.328 1.895 20 5 CDBDRO COc1ccc(C[C@H](C)[N@H+](C)CCO)c([N+](=O)[O-])c1 ZINC001246910812 932417939 /nfs/dbraw/zinc/41/79/39/932417939.db2.gz DIDHICGNWDKWIM-JTQLQIEISA-N 1 0 268.313 1.459 20 5 CDBDRO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118198997 937601225 /nfs/dbraw/zinc/60/12/25/937601225.db2.gz CSWUTNYZFUHAEM-DZGCQCFKSA-N 1 0 287.319 1.437 20 5 CDBDRO COC(=O)c1ncc([N+](=O)[O-])cc1NC[C@H]1CCCC[NH2+]1 ZINC001171337834 932787922 /nfs/dbraw/zinc/78/79/22/932787922.db2.gz BDVHIVIDKGBXEJ-SECBINFHSA-N 1 0 294.311 1.330 20 5 CDBDRO CN1Cc2cc(NC[C@@H]3CCCC[NH2+]3)cc([N+](=O)[O-])c2N1 ZINC001171340895 932800057 /nfs/dbraw/zinc/80/00/57/932800057.db2.gz UWTNSCQWVSNWSH-NSHDSACASA-N 1 0 291.355 1.921 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001155187377 937646000 /nfs/dbraw/zinc/64/60/00/937646000.db2.gz ABAMULDEXPNZCH-PSASIEDQSA-N 1 0 273.296 1.700 20 5 CDBDRO Cc1cnc(N(c2ncccn2)C2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC001155862309 937683062 /nfs/dbraw/zinc/68/30/62/937683062.db2.gz NHNFENFLIZNSDR-UHFFFAOYSA-N 1 0 286.295 1.198 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001155915914 937688370 /nfs/dbraw/zinc/68/83/70/937688370.db2.gz JUCPWECRZGJPIA-SSDOTTSWSA-N 1 0 274.708 1.244 20 5 CDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCCC2CCC2)C1 ZINC001042711475 935827698 /nfs/dbraw/zinc/82/76/98/935827698.db2.gz UIBMVPPLNZHEPM-ZIAGYGMSSA-N 1 0 295.383 1.375 20 5 CDBDRO CC(C)=CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001122984385 936098191 /nfs/dbraw/zinc/09/81/91/936098191.db2.gz LMZTYVIMMQPPSJ-UHFFFAOYSA-N 1 0 277.324 1.767 20 5 CDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccon1 ZINC001124186923 936294706 /nfs/dbraw/zinc/29/47/06/936294706.db2.gz TVZSLVQCYWZWHI-UHFFFAOYSA-N 1 0 290.279 1.102 20 5 CDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001122108648 937905977 /nfs/dbraw/zinc/90/59/77/937905977.db2.gz RRVRSYSWAJVVPJ-QEGRKFQGSA-N 1 0 289.335 1.552 20 5 CDBDRO COc1cc(C)nc(-n2nc(C[NH3+])cc2C)c1[N+](=O)[O-] ZINC001156038593 938312882 /nfs/dbraw/zinc/31/28/82/938312882.db2.gz DEYPDNWEDKHGHJ-UHFFFAOYSA-N 1 0 277.284 1.260 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(c3cccc([N+](=O)[O-])n3)C[C@H]21 ZINC001157261594 938470732 /nfs/dbraw/zinc/47/07/32/938470732.db2.gz SCABSFFFQNKKRW-GHMZBOCLSA-N 1 0 262.313 1.520 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)nc(N2C[C@@H]3C[NH2+][C@@H]3C2)c1 ZINC001157619158 938521205 /nfs/dbraw/zinc/52/12/05/938521205.db2.gz YEDYVKXGKZGUJX-POYBYMJQSA-N 1 0 254.677 1.051 20 5 CDBDRO C[C@@H]1[C@@H]([NH3+])CCCN1c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001157731726 938537522 /nfs/dbraw/zinc/53/75/22/938537522.db2.gz FLFCACSMLZBDKQ-KOLCDFICSA-N 1 0 287.323 1.854 20 5 CDBDRO O=C(NCCC[NH2+]CCC1=CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157766822 938543095 /nfs/dbraw/zinc/54/30/95/938543095.db2.gz ADPPGBHOANYGAL-ZIAGYGMSSA-N 1 0 295.383 1.638 20 5 CDBDRO COc1nc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)ccc1[N+](=O)[O-] ZINC001157980516 938571676 /nfs/dbraw/zinc/57/16/76/938571676.db2.gz XJAFGMJRSOVREU-SECBINFHSA-N 1 0 289.295 1.000 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cc(N2CC[N@@H+]3CC[C@H]3C2)n1 ZINC001158423769 938621635 /nfs/dbraw/zinc/62/16/35/938621635.db2.gz NFDOPOZAIDEERD-VIFPVBQESA-N 1 0 268.704 1.538 20 5 CDBDRO [NH3+]Cc1cnnn1-c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001158427346 938623212 /nfs/dbraw/zinc/62/32/12/938623212.db2.gz QOBDDHPOTGRYOT-UHFFFAOYSA-N 1 0 296.290 1.696 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[N@@H+]4CC[C@@H]4C3)c21 ZINC001158430323 938623624 /nfs/dbraw/zinc/62/36/24/938623624.db2.gz DEABCDRJIGGWAM-SNVBAGLBSA-N 1 0 285.307 1.432 20 5 CDBDRO CN(c1nc(Cl)ncc1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC001159050992 938697528 /nfs/dbraw/zinc/69/75/28/938697528.db2.gz ARUJVLCATWLAIF-UHFFFAOYSA-N 1 0 259.697 1.212 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N(C)C(C)(C)C[NH3+])n1 ZINC001159054226 938698269 /nfs/dbraw/zinc/69/82/69/938698269.db2.gz ICVCUIDQJFJSNY-UHFFFAOYSA-N 1 0 273.724 1.520 20 5 CDBDRO [NH3+]Cc1cc2ccncc2n1-c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001160959019 938849588 /nfs/dbraw/zinc/84/95/88/938849588.db2.gz FRMROJXBTGRCSB-UHFFFAOYSA-N 1 0 285.263 1.026 20 5 CDBDRO Nc1nc(-n2c(C[NH3+])cc3ccncc32)ccc1[N+](=O)[O-] ZINC001160960128 938850859 /nfs/dbraw/zinc/85/08/59/938850859.db2.gz OSKBBARPPJMXDQ-UHFFFAOYSA-N 1 0 284.279 1.370 20 5 CDBDRO Cc1nc(-n2c(C[NH3+])nc3cnccc32)ccc1[N+](=O)[O-] ZINC001162214520 938962389 /nfs/dbraw/zinc/96/23/89/938962389.db2.gz IXFHXRJKCQGCQL-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO Cc1c(C)c(-n2c(C[NH3+])nc3cnccc32)ncc1[N+](=O)[O-] ZINC001162215894 938962650 /nfs/dbraw/zinc/96/26/50/938962650.db2.gz SNGJYFBUYRIJBB-UHFFFAOYSA-N 1 0 298.306 1.799 20 5 CDBDRO CC(C)(C)[NH+]1CC(Nc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001162221112 938964031 /nfs/dbraw/zinc/96/40/31/938964031.db2.gz IFIMTZTUWNKMFQ-UHFFFAOYSA-N 1 0 265.317 1.467 20 5 CDBDRO Cc1nc(Cl)nc(N[C@H]2C[C@@](C)([NH3+])C2)c1[N+](=O)[O-] ZINC001162325021 939024168 /nfs/dbraw/zinc/02/41/68/939024168.db2.gz MBHPIFDYKCVCRU-XGAOUMNUSA-N 1 0 271.708 1.638 20 5 CDBDRO COc1cnc(N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001162391848 939042616 /nfs/dbraw/zinc/04/26/16/939042616.db2.gz CSOQEJNCFRBINA-RKDXNWHRSA-N 1 0 266.301 1.680 20 5 CDBDRO [NH3+]Cc1ccnn1-c1nccc(Br)c1[N+](=O)[O-] ZINC001162598334 939099824 /nfs/dbraw/zinc/09/98/24/939099824.db2.gz UKHICYXHXIYTFP-UHFFFAOYSA-N 1 0 298.100 1.397 20 5 CDBDRO Cc1cccc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)c1[N+](=O)[O-] ZINC001163168415 939218597 /nfs/dbraw/zinc/21/85/97/939218597.db2.gz WYSZZSRRLKGRNZ-BZPMIXESSA-N 1 0 291.351 1.940 20 5 CDBDRO O=[N+]([O-])c1cc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)cnc1F ZINC001163176793 939220560 /nfs/dbraw/zinc/22/05/60/939220560.db2.gz XAYOISVZXAXAFI-UISBYWKRSA-N 1 0 296.302 1.165 20 5 CDBDRO C[C@@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)c1ccno1 ZINC001163214635 939227236 /nfs/dbraw/zinc/22/72/36/939227236.db2.gz GKHBZNNMXOQNRS-SSDOTTSWSA-N 1 0 290.283 1.233 20 5 CDBDRO Cc1cc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC001163313515 939244799 /nfs/dbraw/zinc/24/47/99/939244799.db2.gz BQLDYRVTWNQLJD-FZMZJTMJSA-N 1 0 292.339 1.621 20 5 CDBDRO Cc1nnc(C[NH3+])n1-c1ncc([N+](=O)[O-])c2ccccc21 ZINC001163348854 939254102 /nfs/dbraw/zinc/25/41/02/939254102.db2.gz WXDKEZIUYHSLOW-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO COc1nc(N[C@H]2C[NH+]3CCC2CC3)nc(C)c1[N+](=O)[O-] ZINC001163386693 939260495 /nfs/dbraw/zinc/26/04/95/939260495.db2.gz WLDGSZSFWOBINV-JTQLQIEISA-N 1 0 293.327 1.208 20 5 CDBDRO COC(=O)c1cc(N[C@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001163782796 939330692 /nfs/dbraw/zinc/33/06/92/939330692.db2.gz RFEPBZIHGKVUFE-SECBINFHSA-N 1 0 281.312 1.743 20 5 CDBDRO O=[N+]([O-])c1cc2ccccc2nc1-n1cnc2c1C[NH2+]CC2 ZINC001164315928 939452439 /nfs/dbraw/zinc/45/24/39/939452439.db2.gz AVNMJZGFPMJJNQ-UHFFFAOYSA-N 1 0 295.302 1.974 20 5 CDBDRO CC(C)(C)[NH+]1CCN(c2cccc([N+](=O)[O-])n2)CC1 ZINC001165087386 939508217 /nfs/dbraw/zinc/50/82/17/939508217.db2.gz BOPAMUUGTVPNNW-UHFFFAOYSA-N 1 0 264.329 1.910 20 5 CDBDRO COc1cc(C)nc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001165152564 939520238 /nfs/dbraw/zinc/52/02/38/939520238.db2.gz YPQYXZHEOHCKPC-PHIMTYICSA-N 1 0 292.339 1.305 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001165286685 939540730 /nfs/dbraw/zinc/54/07/30/939540730.db2.gz GXWLMBZIRMMXNP-DGCLKSJQSA-N 1 0 292.339 1.113 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cc(N2CCC[C@H]3[NH2+]C[C@@H]32)n1 ZINC001165392419 939557415 /nfs/dbraw/zinc/55/74/15/939557415.db2.gz POBJVGSCIQSNQK-BDAKNGLRSA-N 1 0 268.704 1.584 20 5 CDBDRO C[C@@H]1[C@@H](C)CCCN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001166613645 939619716 /nfs/dbraw/zinc/61/97/16/939619716.db2.gz GTMBTPQFOSNOQO-VHSXEESVSA-N 1 0 291.355 1.696 20 5 CDBDRO Cc1c(C)c(N2CCC([NH3+])CC2)ncc1[N+](=O)[O-] ZINC001166662148 939623990 /nfs/dbraw/zinc/62/39/90/939623990.db2.gz KHJKIZXYKBXUNA-UHFFFAOYSA-N 1 0 250.302 1.534 20 5 CDBDRO Cc1nc(N2CC[C@H]([NH3+])C(F)(F)C2)ccc1[N+](=O)[O-] ZINC001166960318 939661108 /nfs/dbraw/zinc/66/11/08/939661108.db2.gz OPQPMISJOATUEL-VIFPVBQESA-N 1 0 272.255 1.471 20 5 CDBDRO CN(c1ccc2ccc([N+](=O)[O-])cc2n1)C1C[NH2+]C1 ZINC001166978099 939666053 /nfs/dbraw/zinc/66/60/53/939666053.db2.gz KUMQNQWDBNFJGX-UHFFFAOYSA-N 1 0 258.281 1.551 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OC[C@@H]1CCC[NH2+]C1 ZINC001217872851 941024947 /nfs/dbraw/zinc/02/49/47/941024947.db2.gz VRUAMJRPQSQNEF-ZYHUDNBSSA-N 1 0 282.344 1.504 20 5 CDBDRO COC(=O)c1cccc(O[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001218282744 941051246 /nfs/dbraw/zinc/05/12/46/941051246.db2.gz BBNAKFSLMBZJQC-VIFPVBQESA-N 1 0 280.280 1.512 20 5 CDBDRO [NH3+]CCNC(=O)c1ccnc2c1ccc1cccnc12 ZINC001219878117 941392897 /nfs/dbraw/zinc/39/28/97/941392897.db2.gz OGEIVFMFJKYEIX-UHFFFAOYSA-N 1 0 266.304 1.472 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](O)C2CCC2)cc1 ZINC000316240833 941478258 /nfs/dbraw/zinc/47/82/58/941478258.db2.gz DTOCFQRKFAXBII-UONOGXRCSA-N 1 0 280.324 1.379 20 5 CDBDRO Cc1cc(NC(=O)C[NH2+]CC2CC2)cc([N+](=O)[O-])c1 ZINC001524231830 970825254 /nfs/dbraw/zinc/82/52/54/970825254.db2.gz NVSJKGYUYNPGMN-UHFFFAOYSA-N 1 0 263.297 1.841 20 5 CDBDRO CCOC(=O)/C=C(/CO[C@H](C)C[N+](C)(C)C)OCC ZINC001225029464 941817407 /nfs/dbraw/zinc/81/74/07/941817407.db2.gz SWCMGZWOYGBPAX-FNWMBBJUSA-N 1 0 274.381 1.581 20 5 CDBDRO C[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226168841 941962234 /nfs/dbraw/zinc/96/22/34/941962234.db2.gz VLBHIPWLNKKLJR-SNVBAGLBSA-N 1 0 279.296 1.167 20 5 CDBDRO COc1cc2c(O[C@@H](C)C[N+](C)(C)C)nc[nH]c-2cc1=O ZINC001227800832 942227883 /nfs/dbraw/zinc/22/78/83/942227883.db2.gz HYFGVQRDACJRLJ-JTQLQIEISA-O 1 0 292.359 1.818 20 5 CDBDRO C[NH+](C)[C@H]1CC[C@H](Oc2nc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001228139266 942273800 /nfs/dbraw/zinc/27/38/00/942273800.db2.gz ABLATDLAMWRPOG-KYZUINATSA-N 1 0 282.300 1.342 20 5 CDBDRO Cc1[nH]c(=O)cc(O[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC001228687344 942357249 /nfs/dbraw/zinc/35/72/49/942357249.db2.gz VWFVJQKHTVFBJB-SSDOTTSWSA-N 1 0 255.274 1.333 20 5 CDBDRO CN(C)c1ccccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228875237 942387076 /nfs/dbraw/zinc/38/70/76/942387076.db2.gz PFOLMHVRMHNZFK-GFCCVEGCSA-N 1 0 281.376 1.115 20 5 CDBDRO Cc1cc(O)c(O[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC001229750144 942527102 /nfs/dbraw/zinc/52/71/02/942527102.db2.gz KPJWHSWUWRKIOF-SECBINFHSA-N 1 0 254.286 1.938 20 5 CDBDRO Cc1ccnc([N+](=O)[O-])c1O[C@H]1CCC[N@@H+](C)C1 ZINC001233548940 943615242 /nfs/dbraw/zinc/61/52/42/943615242.db2.gz ANFVVFQMRCUYNQ-JTQLQIEISA-N 1 0 251.286 1.771 20 5 CDBDRO CCOC(=O)c1cn(C(C)=O)nc1O[C@H](C)C[N+](C)(C)C ZINC001234837969 943957316 /nfs/dbraw/zinc/95/73/16/943957316.db2.gz SHEYJSNHBUMKRQ-SNVBAGLBSA-N 1 0 298.363 1.193 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(O[C@@H](C)C[NH+](C)C)n1 ZINC001234880252 943966129 /nfs/dbraw/zinc/96/61/29/943966129.db2.gz ZGHXUZQQQHURRQ-QMMMGPOBSA-N 1 0 255.274 1.327 20 5 CDBDRO Cc1nccc([N+](=O)[O-])c1O[C@@H]1CCC[N@@H+](C)C1 ZINC001234904054 943970373 /nfs/dbraw/zinc/97/03/73/943970373.db2.gz WHIOKULSIPIWMH-SNVBAGLBSA-N 1 0 251.286 1.771 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261377435 946085401 /nfs/dbraw/zinc/08/54/01/946085401.db2.gz RZUUQELMJMIIRB-SNVBAGLBSA-N 1 0 292.339 1.747 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC001262564890 946714538 /nfs/dbraw/zinc/71/45/38/946714538.db2.gz WLCTUOXFYCDVEX-UHFFFAOYSA-N 1 0 278.337 1.614 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC(=O)N1C ZINC001254538756 947515415 /nfs/dbraw/zinc/51/54/15/947515415.db2.gz AKYIBOYVYFKACU-DGCLKSJQSA-N 1 0 291.351 1.736 20 5 CDBDRO O=C1C[C@@H](C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1 ZINC001254569519 947530320 /nfs/dbraw/zinc/53/03/20/947530320.db2.gz ZAOBLDGGQVIXGV-GXFFZTMASA-N 1 0 289.335 1.178 20 5 CDBDRO [NH3+]CCN(c1ncccn1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572149 947531062 /nfs/dbraw/zinc/53/10/62/947531062.db2.gz IKZZGNICAMJATR-AWEZNQCLSA-N 1 0 299.334 1.317 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1(CO)CCC1)C2 ZINC001254573346 947533635 /nfs/dbraw/zinc/53/36/35/947533635.db2.gz YBFJUPLDPJDTEL-CYBMUJFWSA-N 1 0 276.336 1.814 20 5 CDBDRO CC(C)(C)[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254578428 947535645 /nfs/dbraw/zinc/53/56/45/947535645.db2.gz LKQLMYQIYWODGQ-WCQYABFASA-N 1 0 291.351 1.552 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(C)(C)O ZINC001254590707 947542412 /nfs/dbraw/zinc/54/24/12/947542412.db2.gz YZMOOBYQKIXDEU-BXKDBHETSA-N 1 0 264.325 1.811 20 5 CDBDRO C[C@]1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCOC1 ZINC001254590666 947542674 /nfs/dbraw/zinc/54/26/74/947542674.db2.gz YHZZXZGSVCJRIS-OCCSQVGLSA-N 1 0 262.309 1.831 20 5 CDBDRO Cc1ncncc1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254590388 947543419 /nfs/dbraw/zinc/54/34/19/947543419.db2.gz WOWKEROKALDVLY-CQSZACIVSA-N 1 0 284.319 1.950 20 5 CDBDRO COCC[N@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254595937 947545873 /nfs/dbraw/zinc/54/58/73/947545873.db2.gz AKLRLJPMKATDEE-CYBMUJFWSA-N 1 0 250.298 1.640 20 5 CDBDRO C[NH+](C)C1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254596703 947546476 /nfs/dbraw/zinc/54/64/76/947546476.db2.gz FIZIUZTXZQMROF-CYBMUJFWSA-N 1 0 261.325 1.308 20 5 CDBDRO Cn1cnc2c1C[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254605257 947553546 /nfs/dbraw/zinc/55/35/46/947553546.db2.gz ASZQAABXTFFUBG-AWEZNQCLSA-N 1 0 298.346 1.854 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@]13CCOC3)C2 ZINC001254610522 947557074 /nfs/dbraw/zinc/55/70/74/947557074.db2.gz KLMCZAXJRWGMGT-CABCVRRESA-N 1 0 274.320 1.927 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCNC[C@@H]1F ZINC001246086764 947937024 /nfs/dbraw/zinc/93/70/24/947937024.db2.gz MBBGAUUIACURRE-KGYLQXTDSA-N 1 0 281.331 1.815 20 5 CDBDRO COC(=O)COc1ccc(C[NH2+]C2(C)CC2)cc1[N+](=O)[O-] ZINC001255649199 948052233 /nfs/dbraw/zinc/05/22/33/948052233.db2.gz NUKGGTLOYVQZBZ-UHFFFAOYSA-N 1 0 294.307 1.789 20 5 CDBDRO C[C@@H]1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H](C)[NH2+]1 ZINC001246963414 948543414 /nfs/dbraw/zinc/54/34/14/948543414.db2.gz HCKDRMLZVNDXAA-JRPNMDOOSA-N 1 0 275.352 1.744 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CC[NH2+]C2)n1 ZINC001247792784 948778896 /nfs/dbraw/zinc/77/88/96/948778896.db2.gz BDQRYEBHKIPSPL-ZCFIWIBFSA-N 1 0 279.231 1.256 20 5 CDBDRO Cc1nc(N2CCC[N@@H+]3CCC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001326491494 954405439 /nfs/dbraw/zinc/40/54/39/954405439.db2.gz GPPXVLCXDCIZJC-LLVKDONJSA-N 1 0 277.328 1.368 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2C[NH+]3CCC2CC3)cc([N+](=O)[O-])c1 ZINC001336628507 960427523 /nfs/dbraw/zinc/42/75/23/960427523.db2.gz MJNXDBAAQOYERE-AWEZNQCLSA-N 1 0 289.335 1.727 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001336684559 960464550 /nfs/dbraw/zinc/46/45/50/960464550.db2.gz JHIZGMFOCQNGIM-VHSXEESVSA-N 1 0 265.317 1.367 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001515986015 969925274 /nfs/dbraw/zinc/92/52/74/969925274.db2.gz BJMJNDHPIRJHHU-WFASDCNBSA-N 1 0 292.383 1.949 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([NH3+])CC1 ZINC001574159840 1170899982 /nfs/dbraw/zinc/89/99/82/1170899982.db2.gz WIUZAEGXJJGEPR-UHFFFAOYSA-N 1 0 278.312 1.858 20 5 CDBDRO [NH3+]CC[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000070171305 1171646643 /nfs/dbraw/zinc/64/66/43/1171646643.db2.gz IZRANDINAAYLRN-JTQLQIEISA-N 1 0 250.302 1.555 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001578656657 1171973288 /nfs/dbraw/zinc/97/32/88/1171973288.db2.gz LTPWXLJMSUCYKO-SNVBAGLBSA-N 1 0 292.339 1.249 20 5 CDBDRO Cc1ccc(-c2cnn3c2C[NH2+]CC3)cc1[N+](=O)[O-] ZINC000675076033 539085350 /nfs/dbraw/zinc/08/53/50/539085350.db2.gz IYGJFVYRWVITBD-UHFFFAOYSA-N 1 0 258.281 1.870 20 5 CDBDRO O=[N+]([O-])c1ccc2nccc(NCCOCCF)c2c1 ZINC000601199033 342489867 /nfs/dbraw/zinc/48/98/67/342489867.db2.gz LJRWFLVJLPNPIS-UHFFFAOYSA-N 1 0 279.271 1.963 20 5 CDBDRO Cc1cc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000320642206 341993913 /nfs/dbraw/zinc/99/39/13/341993913.db2.gz DUWHQCPTSSOBGR-NXEZZACHSA-N 1 0 265.313 1.759 20 5 CDBDRO O=[N+]([O-])c1ccccc1NCC[N@H+]1CC[C@H](O)C1 ZINC000599201202 343979595 /nfs/dbraw/zinc/97/95/95/343979595.db2.gz GEQLBHUVSYFOIL-JTQLQIEISA-N 1 0 251.286 1.073 20 5 CDBDRO Cc1ccc(NCCC[NH2+]C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000564854239 365527902 /nfs/dbraw/zinc/52/79/02/365527902.db2.gz MQJGLJRPHZKOCJ-NSHDSACASA-N 1 0 267.329 1.676 20 5 CDBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1COCCO1 ZINC000590702364 342582395 /nfs/dbraw/zinc/58/23/95/342582395.db2.gz PBUUUTDZKPWRPX-CYBMUJFWSA-N 1 0 266.297 1.442 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000237475576 342060309 /nfs/dbraw/zinc/06/03/09/342060309.db2.gz DHFJBGILWHQHPI-MNOVXSKESA-N 1 0 292.339 1.345 20 5 CDBDRO [NH3+]CCC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000165918771 342073954 /nfs/dbraw/zinc/07/39/54/342073954.db2.gz COIOYCVBGDQQLQ-UHFFFAOYSA-N 1 0 295.314 1.935 20 5 CDBDRO Cc1ccc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)nc1 ZINC000590754563 342587896 /nfs/dbraw/zinc/58/78/96/342587896.db2.gz LGCJRHPUFCJKCH-UHFFFAOYSA-N 1 0 275.312 1.627 20 5 CDBDRO CCCc1n[nH]c(C(=O)NCCC[NH2+]C(C)C)c1[N+](=O)[O-] ZINC000151814981 342102457 /nfs/dbraw/zinc/10/24/57/342102457.db2.gz VEQSPWVQVUHMRN-UHFFFAOYSA-N 1 0 297.359 1.388 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)c(F)c1 ZINC000591447887 342632755 /nfs/dbraw/zinc/63/27/55/342632755.db2.gz CFWIITKALDYKSJ-IINYFYTJSA-N 1 0 279.315 1.918 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000591448947 342632898 /nfs/dbraw/zinc/63/28/98/342632898.db2.gz RNNCACSLNGXHEA-GXTWGEPZSA-N 1 0 261.325 1.779 20 5 CDBDRO CNc1ccc(C(=O)NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000592293086 342683860 /nfs/dbraw/zinc/68/38/60/342683860.db2.gz QSUIYFBBPHSQPS-LLVKDONJSA-N 1 0 292.339 1.508 20 5 CDBDRO COc1cc(C(=O)N2CCC(C)([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000592331597 342685498 /nfs/dbraw/zinc/68/54/98/342685498.db2.gz XKVKUPJQJVDMEO-UHFFFAOYSA-N 1 0 293.323 1.557 20 5 CDBDRO CN1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000340576723 361851943 /nfs/dbraw/zinc/85/19/43/361851943.db2.gz VQKNPACROJVYRE-UHFFFAOYSA-N 1 0 271.267 1.620 20 5 CDBDRO [NH3+][C@H]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000322419124 342185830 /nfs/dbraw/zinc/18/58/30/342185830.db2.gz LEORSBKBJXVYTC-HAQNSBGRSA-N 1 0 277.324 1.523 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000322460244 342185918 /nfs/dbraw/zinc/18/59/18/342185918.db2.gz XKCJZAFJUKJWEL-XYPYZODXSA-N 1 0 277.324 1.903 20 5 CDBDRO CCN1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593688240 342823140 /nfs/dbraw/zinc/82/31/40/342823140.db2.gz NVTJMPVRVCBEHV-GFCCVEGCSA-N 1 0 277.324 1.553 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCCC1CC[NH2+]CC1 ZINC000593918198 342851182 /nfs/dbraw/zinc/85/11/82/342851182.db2.gz CCSZLMCSYKMZOR-UHFFFAOYSA-N 1 0 291.351 1.643 20 5 CDBDRO CCC(C)(C)[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000594020659 342867100 /nfs/dbraw/zinc/86/71/00/342867100.db2.gz KQNHFOXYVPRFKM-UHFFFAOYSA-N 1 0 295.387 1.598 20 5 CDBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000092954245 342270437 /nfs/dbraw/zinc/27/04/37/342270437.db2.gz YDOOCJNJFBPXOX-PWSUYJOCSA-N 1 0 277.324 1.551 20 5 CDBDRO CCC[C@@H]([NH3+])c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594653701 342934640 /nfs/dbraw/zinc/93/46/40/342934640.db2.gz YBOVZIYKJCUNSK-SECBINFHSA-N 1 0 277.284 1.681 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000609406063 342293152 /nfs/dbraw/zinc/29/31/52/342293152.db2.gz GQRRIHZJEGOBIT-NSHDSACASA-N 1 0 287.323 1.623 20 5 CDBDRO COC[C@@H](O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595035945 342997829 /nfs/dbraw/zinc/99/78/29/342997829.db2.gz NSXSZFFXPPFALC-JQWIXIFHSA-N 1 0 298.339 1.651 20 5 CDBDRO CC[NH+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595291610 343024814 /nfs/dbraw/zinc/02/48/14/343024814.db2.gz KHPYZWDNNRJOLM-UHFFFAOYSA-N 1 0 267.304 1.871 20 5 CDBDRO Cc1ccsc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000091436498 349756334 /nfs/dbraw/zinc/75/63/34/349756334.db2.gz HCCNPZSQIMXBFC-LLVKDONJSA-N 1 0 296.352 1.312 20 5 CDBDRO Cc1noc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000595504754 343079386 /nfs/dbraw/zinc/07/93/86/343079386.db2.gz INFJRHXRAMZDSI-CQSZACIVSA-N 1 0 294.355 1.809 20 5 CDBDRO CC(C)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000042626715 342341715 /nfs/dbraw/zinc/34/17/15/342341715.db2.gz QZWMAKYELSBELO-UHFFFAOYSA-N 1 0 294.355 1.773 20 5 CDBDRO CC[NH+]1CCC(NC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000600964796 342352148 /nfs/dbraw/zinc/35/21/48/342352148.db2.gz GKHGIHGEQVYVCL-UHFFFAOYSA-N 1 0 295.314 1.948 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C[NH+](C)C)C2)n1 ZINC000268813190 365738949 /nfs/dbraw/zinc/73/89/49/365738949.db2.gz MSXMPSRDRKFZIS-LLVKDONJSA-N 1 0 264.329 1.686 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000595983064 343211048 /nfs/dbraw/zinc/21/10/48/343211048.db2.gz NEMHWAYQXQYGFB-SECBINFHSA-N 1 0 251.286 1.241 20 5 CDBDRO CN(CC1CC[NH+](C)CC1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596107207 343228912 /nfs/dbraw/zinc/22/89/12/343228912.db2.gz KFHFBOMYTNKCAK-UHFFFAOYSA-N 1 0 280.328 1.473 20 5 CDBDRO CNC(=O)[C@H](C)C[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000081576149 342370663 /nfs/dbraw/zinc/37/06/63/342370663.db2.gz FNAHROGCHPOXCJ-MNOVXSKESA-N 1 0 279.340 1.970 20 5 CDBDRO Nc1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)nc1[N+](=O)[O-] ZINC000596298619 343291867 /nfs/dbraw/zinc/29/18/67/343291867.db2.gz YXEIUGGHOIVMCL-RYUDHWBXSA-N 1 0 291.355 1.423 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596277503 343296116 /nfs/dbraw/zinc/29/61/16/343296116.db2.gz GVKURAHPZYSUTA-VIFPVBQESA-N 1 0 266.301 1.226 20 5 CDBDRO CO[C@]1(C)C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000090538910 342396280 /nfs/dbraw/zinc/39/62/80/342396280.db2.gz MHDCEYVMTGKKID-WCQYABFASA-N 1 0 282.344 1.585 20 5 CDBDRO CCc1nn(C)c(N2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000094154329 342430021 /nfs/dbraw/zinc/43/00/21/342430021.db2.gz KJIPLSQKXHCFEQ-JTQLQIEISA-N 1 0 281.360 1.421 20 5 CDBDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000597243457 343480859 /nfs/dbraw/zinc/48/08/59/343480859.db2.gz JZDJFNLCSOWFKP-KYZUINATSA-N 1 0 270.310 1.698 20 5 CDBDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000597245245 343481391 /nfs/dbraw/zinc/48/13/91/343481391.db2.gz YPAFBRWTJMNYAK-XYPYZODXSA-N 1 0 264.281 1.636 20 5 CDBDRO Cc1nn(C)c(N2CC[C@@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000368305728 282272510 /nfs/dbraw/zinc/27/25/10/282272510.db2.gz ZFBIJPUMCGLTFN-CYBMUJFWSA-N 1 0 279.344 1.169 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCC(CO)CC1 ZINC000120178503 365753767 /nfs/dbraw/zinc/75/37/67/365753767.db2.gz SRVXRQAFPLZAAN-UHFFFAOYSA-N 1 0 282.344 1.274 20 5 CDBDRO Cc1nn(C)c(N[C@@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000357551942 282274289 /nfs/dbraw/zinc/27/42/89/282274289.db2.gz UONYPGBNGFAKJS-VIFPVBQESA-N 1 0 269.349 1.777 20 5 CDBDRO C[NH+](C)CC1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000597709442 343606620 /nfs/dbraw/zinc/60/66/20/343606620.db2.gz VMFCFNSGSABIJP-UHFFFAOYSA-N 1 0 297.742 1.882 20 5 CDBDRO [NH3+]CC1(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CCCC1 ZINC000111831785 365796906 /nfs/dbraw/zinc/79/69/06/365796906.db2.gz UQVUATLEDQBVNY-BQYQJAHWSA-N 1 0 289.335 1.996 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598668276 343871327 /nfs/dbraw/zinc/87/13/27/343871327.db2.gz RRGSGUASMGGNTJ-SWLSCSKDSA-N 1 0 289.335 1.857 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NCC[C@H]2CCC[NH2+]2)n1 ZINC000166875655 362264830 /nfs/dbraw/zinc/26/48/30/362264830.db2.gz QJJFFLWYZUNVFH-SNVBAGLBSA-N 1 0 250.302 1.852 20 5 CDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000598915769 343919575 /nfs/dbraw/zinc/91/95/75/343919575.db2.gz ONYMQTZAZMOYQA-IINYFYTJSA-N 1 0 290.323 1.940 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598914500 343919671 /nfs/dbraw/zinc/91/96/71/343919671.db2.gz GOSYOYNETMJIPS-DTWKUNHWSA-N 1 0 296.302 1.948 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000612108273 347023323 /nfs/dbraw/zinc/02/33/23/347023323.db2.gz VHAQYTPGSCOXRN-XQQFMLRXSA-N 1 0 292.335 1.819 20 5 CDBDRO O=C(CC[NH+]1CCC(O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000026227984 344158802 /nfs/dbraw/zinc/15/88/02/344158802.db2.gz CNCPUEQXUYWLFV-UHFFFAOYSA-N 1 0 293.323 1.380 20 5 CDBDRO CO[C@@H](C[NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000602557009 344467030 /nfs/dbraw/zinc/46/70/30/344467030.db2.gz IPUPOBIURXVXNC-HIFRSBDPSA-N 1 0 294.351 1.778 20 5 CDBDRO CO[C@H](C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602626530 344520147 /nfs/dbraw/zinc/52/01/47/344520147.db2.gz KVJQRHAIRIMKMM-LLVKDONJSA-N 1 0 294.355 1.583 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000602805298 344593293 /nfs/dbraw/zinc/59/32/93/344593293.db2.gz OJBUMWJYAQGKJG-KGLIPLIRSA-N 1 0 294.355 1.647 20 5 CDBDRO C[C@]1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCC[NH2+]C1 ZINC000128957983 362409423 /nfs/dbraw/zinc/40/94/23/362409423.db2.gz RQOBSVAEFZDTEC-LBPRGKRZSA-N 1 0 266.301 1.042 20 5 CDBDRO Cc1ccnc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000292415084 362470638 /nfs/dbraw/zinc/47/06/38/362470638.db2.gz WCEBZEBXWKZIQJ-CQSZACIVSA-N 1 0 276.340 1.830 20 5 CDBDRO O=[N+]([O-])c1ccc(CCN2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000221938832 344603549 /nfs/dbraw/zinc/60/35/49/344603549.db2.gz FXGGHOYJZKWCBX-DZGCQCFKSA-N 1 0 275.352 1.821 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@H]1CCC[N@@H+]1C ZINC000602846661 344624619 /nfs/dbraw/zinc/62/46/19/344624619.db2.gz QEKHDVKXETVRGI-GFCCVEGCSA-N 1 0 281.360 1.126 20 5 CDBDRO CC[C@@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])[C@H](CC)CO1 ZINC000602864172 344637825 /nfs/dbraw/zinc/63/78/25/344637825.db2.gz NDWRGFXUYIFNEL-CHWSQXEVSA-N 1 0 296.371 1.989 20 5 CDBDRO COc1ccc(CN[C@@H]2C[C@@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000603430549 344802948 /nfs/dbraw/zinc/80/29/48/344802948.db2.gz AFDOKMRKSROPFH-CHWSQXEVSA-N 1 0 279.340 1.819 20 5 CDBDRO O=[N+]([O-])c1ncccc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000159329497 344839318 /nfs/dbraw/zinc/83/93/18/344839318.db2.gz ZMRSQRXAEZGDOJ-SNVBAGLBSA-N 1 0 262.313 1.886 20 5 CDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC[NH+](C)CC1 ZINC000604552382 344902926 /nfs/dbraw/zinc/90/29/26/344902926.db2.gz LMKNKRFGZWUMAI-VIFPVBQESA-N 1 0 280.328 1.383 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000129239375 362542602 /nfs/dbraw/zinc/54/26/02/362542602.db2.gz OBRCZFNGUKPTNC-JTQLQIEISA-N 1 0 263.297 1.370 20 5 CDBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H](C)CO ZINC000293505405 362571859 /nfs/dbraw/zinc/57/18/59/362571859.db2.gz UTFOERUUMIKWOR-JTQLQIEISA-N 1 0 268.313 1.806 20 5 CDBDRO CC(C)(CC(N)=O)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000120882187 534994859 /nfs/dbraw/zinc/99/48/59/534994859.db2.gz KGYPEPZHKWFAJQ-UHFFFAOYSA-N 1 0 285.731 1.992 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000230733152 345441039 /nfs/dbraw/zinc/44/10/39/345441039.db2.gz SNXNRRHAVBFOLE-CYBMUJFWSA-N 1 0 263.297 1.385 20 5 CDBDRO CC1(C)CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000273268894 192093950 /nfs/dbraw/zinc/09/39/50/192093950.db2.gz GZZMZGLKDWRWSX-SNVBAGLBSA-N 1 0 252.318 1.960 20 5 CDBDRO Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000085357291 179031017 /nfs/dbraw/zinc/03/10/17/179031017.db2.gz QTHZLXTVFLAZFP-MNOVXSKESA-N 1 0 263.297 1.969 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000382991975 362710972 /nfs/dbraw/zinc/71/09/72/362710972.db2.gz BOXYMOQLQIEYAN-ZETCQYMHSA-N 1 0 255.249 1.153 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CCCCCC2)c1 ZINC000037885843 346369561 /nfs/dbraw/zinc/36/95/61/346369561.db2.gz HFEXRYIYMRTVDV-ZDUSSCGKSA-N 1 0 282.344 1.465 20 5 CDBDRO NC(=O)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000052826687 346486058 /nfs/dbraw/zinc/48/60/58/346486058.db2.gz CAMQVIRISWDBOJ-UHFFFAOYSA-N 1 0 291.351 1.867 20 5 CDBDRO O=[N+]([O-])c1ncccc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611165702 346626687 /nfs/dbraw/zinc/62/66/87/346626687.db2.gz BBYBIVLRDBXVKW-GFCCVEGCSA-N 1 0 292.339 1.655 20 5 CDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1ncccc1[N+](=O)[O-] ZINC000611299019 346740855 /nfs/dbraw/zinc/74/08/55/346740855.db2.gz IJIJFJWTXGARBX-UWVGGRQHSA-N 1 0 250.302 1.519 20 5 CDBDRO O=[N+]([O-])c1cccc(-c2ncn(C[C@H]3CC[NH2+]C3)n2)c1 ZINC000122458650 347648282 /nfs/dbraw/zinc/64/82/82/347648282.db2.gz YXYALTDZHXRDJK-JTQLQIEISA-N 1 0 273.296 1.463 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(N3C[C@H]4C[NH2+]C[C@H]4C3)c2c1 ZINC000090322989 347653197 /nfs/dbraw/zinc/65/31/97/347653197.db2.gz FSMHDJFOECCNCG-AOOOYVTPSA-N 1 0 285.307 1.194 20 5 CDBDRO C[NH2+]CCCn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000122543256 347655502 /nfs/dbraw/zinc/65/55/02/347655502.db2.gz VOURPEKELAUJCZ-UHFFFAOYSA-N 1 0 261.285 1.463 20 5 CDBDRO CNC(=O)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000054171918 347817069 /nfs/dbraw/zinc/81/70/69/347817069.db2.gz HUGVTTWBTPMOCV-UHFFFAOYSA-N 1 0 277.324 1.553 20 5 CDBDRO C[C@@H]1CN(c2cccnc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000614832278 348244214 /nfs/dbraw/zinc/24/42/14/348244214.db2.gz IZVLCQVMTVCWIZ-LLVKDONJSA-N 1 0 294.355 1.271 20 5 CDBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000273428516 192147636 /nfs/dbraw/zinc/14/76/36/192147636.db2.gz WVHWKDWLFYHOQE-YGRLFVJLSA-N 1 0 290.323 1.713 20 5 CDBDRO C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCC[NH2+]C1 ZINC000128929416 187399798 /nfs/dbraw/zinc/39/97/98/187399798.db2.gz MSZILAUFOAXEHH-GFCCVEGCSA-N 1 0 283.353 1.776 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[NH+](C)C ZINC000067161962 349015385 /nfs/dbraw/zinc/01/53/85/349015385.db2.gz HNQHMWWTAJXKOI-SNVBAGLBSA-N 1 0 265.313 1.583 20 5 CDBDRO [NH3+]CCCCNc1ncc([N+](=O)[O-])cc1Br ZINC000086481877 362937354 /nfs/dbraw/zinc/93/73/54/362937354.db2.gz VFCSWRBEXZNLFH-UHFFFAOYSA-N 1 0 289.133 1.903 20 5 CDBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000074313433 349211604 /nfs/dbraw/zinc/21/16/04/349211604.db2.gz UAIYCJBWBVHHTO-NSHDSACASA-N 1 0 293.323 1.298 20 5 CDBDRO COCC[N@H+](C)CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000090692321 180025587 /nfs/dbraw/zinc/02/55/87/180025587.db2.gz YUMGMPFKRWOLDF-UHFFFAOYSA-N 1 0 268.317 1.288 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[NH+](CC)CC ZINC000091558030 180190864 /nfs/dbraw/zinc/19/08/64/180190864.db2.gz DJTLQQZQMKIEDT-UHFFFAOYSA-N 1 0 269.349 1.873 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091546654 180187201 /nfs/dbraw/zinc/18/72/01/180187201.db2.gz AESFQYBGUXRNFM-NXEZZACHSA-N 1 0 263.297 1.969 20 5 CDBDRO C[C@@H](c1ccncc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000091990557 180300024 /nfs/dbraw/zinc/30/00/24/180300024.db2.gz NGODLPRNWCFWGN-NSHDSACASA-N 1 0 275.312 1.879 20 5 CDBDRO CC(C)(C)[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000109331479 186248803 /nfs/dbraw/zinc/24/88/03/186248803.db2.gz PSWUXCWWKMDZLT-LBPRGKRZSA-N 1 0 295.339 1.463 20 5 CDBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000110646422 186308598 /nfs/dbraw/zinc/30/85/98/186308598.db2.gz UFDIMMCJXULMKI-SNVBAGLBSA-N 1 0 277.324 1.794 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC[C@H]1CC[NH2+]C1 ZINC000110795257 186325149 /nfs/dbraw/zinc/32/51/49/186325149.db2.gz WMCXFFCIDPTDCD-GFCCVEGCSA-N 1 0 277.324 1.253 20 5 CDBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])o1 ZINC000110792126 186324694 /nfs/dbraw/zinc/32/46/94/186324694.db2.gz DRVNQDCQHVNYOR-VIFPVBQESA-N 1 0 267.285 1.307 20 5 CDBDRO COc1cc(N(C)[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000111051927 186348609 /nfs/dbraw/zinc/34/86/09/186348609.db2.gz AWFVKWJRJVPWOG-SNVBAGLBSA-N 1 0 251.286 1.402 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000111303681 186393974 /nfs/dbraw/zinc/39/39/74/186393974.db2.gz RILWJQJHKIICQH-AYLMVEPYSA-N 1 0 263.297 1.462 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000113452162 186577997 /nfs/dbraw/zinc/57/79/97/186577997.db2.gz AKXGEWFEWXKHKP-NSHDSACASA-N 1 0 277.324 1.619 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000122298659 187025409 /nfs/dbraw/zinc/02/54/09/187025409.db2.gz CNBDLWHPGGKOAP-NSHDSACASA-N 1 0 263.297 1.087 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135239632 187810799 /nfs/dbraw/zinc/81/07/99/187810799.db2.gz FPMXTILPLDYPBH-GXTWGEPZSA-N 1 0 291.351 1.771 20 5 CDBDRO C[C@@H]([N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)O ZINC000295163286 199380760 /nfs/dbraw/zinc/38/07/60/199380760.db2.gz NNCVTNLMUDWADU-SECBINFHSA-N 1 0 295.339 1.285 20 5 CDBDRO CNC(=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153259208 188073698 /nfs/dbraw/zinc/07/36/98/188073698.db2.gz GSBSINOYMGTKSE-UHFFFAOYSA-N 1 0 277.324 1.695 20 5 CDBDRO CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000295174315 199387650 /nfs/dbraw/zinc/38/76/50/199387650.db2.gz GPTJBTPNFPBVCU-UHFFFAOYSA-N 1 0 294.267 1.065 20 5 CDBDRO CC(C)[NH+](CCNC(=O)c1[nH]ncc1[N+](=O)[O-])C(C)C ZINC000158892224 188398607 /nfs/dbraw/zinc/39/86/07/188398607.db2.gz MGNBKTSXUCAFLU-UHFFFAOYSA-N 1 0 283.332 1.167 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000382443021 363250799 /nfs/dbraw/zinc/25/07/99/363250799.db2.gz HBOJOVSTDUHVDY-PWSUYJOCSA-N 1 0 277.324 1.381 20 5 CDBDRO C[N@H+]1CC=C(CNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000271801209 191335627 /nfs/dbraw/zinc/33/56/27/191335627.db2.gz DLDMQOXYWCUHRC-UHFFFAOYSA-N 1 0 289.335 1.515 20 5 CDBDRO Cc1c(C(=O)N[C@@H](C)CC[NH3+])cccc1[N+](=O)[O-] ZINC000336788397 356263727 /nfs/dbraw/zinc/26/37/27/356263727.db2.gz GXMSSRYJGKMAAR-QMMMGPOBSA-N 1 0 251.286 1.370 20 5 CDBDRO CCC[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000273590430 192219464 /nfs/dbraw/zinc/21/94/64/192219464.db2.gz HETRMTDNJNEVMR-SNVBAGLBSA-N 1 0 265.317 1.529 20 5 CDBDRO CC[N@@H+]1CCN(c2ncccc2[N+](=O)[O-])[C@H](C)C1 ZINC000286430864 356386140 /nfs/dbraw/zinc/38/61/40/356386140.db2.gz RUWYGLHNJLKUJT-SNVBAGLBSA-N 1 0 250.302 1.520 20 5 CDBDRO CNc1c(C(=O)NC[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000336848210 356386810 /nfs/dbraw/zinc/38/68/10/356386810.db2.gz IEVDXKYZSWTZJF-SNVBAGLBSA-N 1 0 294.355 1.564 20 5 CDBDRO C[NH+](C)C1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000134907203 356459957 /nfs/dbraw/zinc/45/99/57/356459957.db2.gz KWCGXKYYRCZDHM-UHFFFAOYSA-N 1 0 295.364 1.459 20 5 CDBDRO C[C@@H](CNc1ncc([N+](=O)[O-])s1)[N@H+](C)C1CC1 ZINC000193856481 363531105 /nfs/dbraw/zinc/53/11/05/363531105.db2.gz VSDJNKSAUAOXNC-ZETCQYMHSA-N 1 0 256.331 1.946 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])s1 ZINC000053253757 357287811 /nfs/dbraw/zinc/28/78/11/357287811.db2.gz KGTLSCWFCFOFMQ-ZETCQYMHSA-N 1 0 255.299 1.138 20 5 CDBDRO [NH3+]C1(c2noc(-c3cc([N+](=O)[O-])c[nH]3)n2)CCCC1 ZINC000261899111 357339191 /nfs/dbraw/zinc/33/91/91/357339191.db2.gz YKALXVBKJQHLQO-UHFFFAOYSA-N 1 0 263.257 1.701 20 5 CDBDRO C[C@]1(C[NH3+])CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000262004812 357352433 /nfs/dbraw/zinc/35/24/33/357352433.db2.gz NTGHOAWTMODTBS-CYBMUJFWSA-N 1 0 296.302 1.127 20 5 CDBDRO C[NH2+]CCSCCOc1ccc([N+](=O)[O-])cc1 ZINC000566182582 357429182 /nfs/dbraw/zinc/42/91/82/357429182.db2.gz LMYPXFGTCMINGK-UHFFFAOYSA-N 1 0 256.327 1.926 20 5 CDBDRO C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(=O)NCCF ZINC000282779248 357474069 /nfs/dbraw/zinc/47/40/69/357474069.db2.gz VPBKSQLRYDVROW-DUMNWFOQSA-N 1 0 295.314 1.672 20 5 CDBDRO CC(C)NC(=O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284113284 357643056 /nfs/dbraw/zinc/64/30/56/357643056.db2.gz NLJRPKQTXKTQFZ-SECBINFHSA-N 1 0 280.328 1.352 20 5 CDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)C[NH+](C)C ZINC000293776287 357669997 /nfs/dbraw/zinc/66/99/97/357669997.db2.gz NWHYVCDKNYIYDP-VIFPVBQESA-N 1 0 280.328 1.105 20 5 CDBDRO O=C(N[C@H]1C[C@@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000361079565 357793235 /nfs/dbraw/zinc/79/32/35/357793235.db2.gz LLSCBWMUFRCDLP-KGLIPLIRSA-N 1 0 289.335 1.713 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000135227396 357798465 /nfs/dbraw/zinc/79/84/65/357798465.db2.gz OCNOVIYGFDGUNK-GFCCVEGCSA-N 1 0 277.324 1.205 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135238919 357802494 /nfs/dbraw/zinc/80/24/94/357802494.db2.gz FWWFNDITRBZMRO-AAEUAGOBSA-N 1 0 277.324 1.381 20 5 CDBDRO CC(C)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(N)=O ZINC000566476286 357822530 /nfs/dbraw/zinc/82/25/30/357822530.db2.gz VWGDXTPGFTVDAN-NSHDSACASA-N 1 0 277.324 1.683 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1NCC[N@@H+]1CCCOCC1 ZINC000188490072 357903570 /nfs/dbraw/zinc/90/35/70/357903570.db2.gz PFNHVQMGZRQNEC-UHFFFAOYSA-N 1 0 283.303 1.868 20 5 CDBDRO COCCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCO ZINC000188933519 357954258 /nfs/dbraw/zinc/95/42/58/357954258.db2.gz ZRZLRACXYUBSDT-QPJJXVBHSA-N 1 0 294.351 1.939 20 5 CDBDRO Cc1cc(NC(=O)N2CCO[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC001579629949 1172228192 /nfs/dbraw/zinc/22/81/92/1172228192.db2.gz DOLWTPIIWXRNOB-LBPRGKRZSA-N 1 0 294.311 1.095 20 5 CDBDRO C[C@@H]([NH2+]CCN1CCCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000361349760 358165698 /nfs/dbraw/zinc/16/56/98/358165698.db2.gz XXAYZOBYTRRILN-CYBMUJFWSA-N 1 0 293.367 1.968 20 5 CDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000192462232 358204839 /nfs/dbraw/zinc/20/48/39/358204839.db2.gz ZGJXKHQEKADVAQ-AOOOYVTPSA-N 1 0 293.298 1.368 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000192465187 358205823 /nfs/dbraw/zinc/20/58/23/358205823.db2.gz URSDRDJDDFVJHX-TXEJJXNPSA-N 1 0 289.335 1.537 20 5 CDBDRO COc1cc(C[NH2+]C[C@H](C)CCCO)c([N+](=O)[O-])cc1O ZINC000294774368 199175943 /nfs/dbraw/zinc/17/59/43/199175943.db2.gz KNIOSSUMLUMQNC-SNVBAGLBSA-N 1 0 298.339 1.807 20 5 CDBDRO Cc1sc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000193559291 358303809 /nfs/dbraw/zinc/30/38/09/358303809.db2.gz DHQXAQRLJUAYQN-APPZFPTMSA-N 1 0 283.353 1.835 20 5 CDBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000193631724 358310673 /nfs/dbraw/zinc/31/06/73/358310673.db2.gz UNOXACGCEUHTSR-ZWNOBZJWSA-N 1 0 293.323 1.088 20 5 CDBDRO Cc1cccc(C(=O)N[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000287245887 358351059 /nfs/dbraw/zinc/35/10/59/358351059.db2.gz QITNPBXULFUUNY-JTQLQIEISA-N 1 0 265.313 1.583 20 5 CDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000287228189 358334915 /nfs/dbraw/zinc/33/49/15/358334915.db2.gz QOHMGUOTRRSVFY-VHSXEESVSA-N 1 0 293.327 1.017 20 5 CDBDRO CC(C)[C@@H](CO)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294940891 199261696 /nfs/dbraw/zinc/26/16/96/199261696.db2.gz XXZAOOVGAXNHJQ-BXKDBHETSA-N 1 0 267.329 1.845 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185197629 358774240 /nfs/dbraw/zinc/77/42/40/358774240.db2.gz AZJPNALJTAIQQA-GDLCADMTSA-N 1 0 289.335 1.713 20 5 CDBDRO CC(C)(CC(N)=O)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000186223169 358791962 /nfs/dbraw/zinc/79/19/62/358791962.db2.gz FZFNABSPJIYZRZ-UHFFFAOYSA-N 1 0 265.313 1.381 20 5 CDBDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000162836268 358835853 /nfs/dbraw/zinc/83/58/53/358835853.db2.gz FYFUVYQAAYWIFJ-GHMZBOCLSA-N 1 0 250.298 1.798 20 5 CDBDRO CCOc1cc(C[N@H+](C)C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000291126648 358881290 /nfs/dbraw/zinc/88/12/90/358881290.db2.gz BKOSGCVSXYOMSA-SNVBAGLBSA-N 1 0 268.313 1.806 20 5 CDBDRO C[C@H]1CSC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000352815749 358940590 /nfs/dbraw/zinc/94/05/90/358940590.db2.gz NFGRUSVZIFRBKZ-ONGXEEELSA-N 1 0 283.353 1.098 20 5 CDBDRO Cc1cc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450800587 359008178 /nfs/dbraw/zinc/00/81/78/359008178.db2.gz ZFYCKPJJQVQYOX-TXEJJXNPSA-N 1 0 294.355 1.190 20 5 CDBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccncc1F ZINC000338357430 359118793 /nfs/dbraw/zinc/11/87/93/359118793.db2.gz QAHGYCGZSHLGTA-VIFPVBQESA-N 1 0 279.275 1.676 20 5 CDBDRO Cc1cc(=O)n(CC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000569598867 359251650 /nfs/dbraw/zinc/25/16/50/359251650.db2.gz CSGZDIXUJKPNPX-JTQLQIEISA-N 1 0 251.286 1.065 20 5 CDBDRO COC[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])OC ZINC000569941168 359270182 /nfs/dbraw/zinc/27/01/82/359270182.db2.gz LRZYLGGNRPVWKU-MFKMUULPSA-N 1 0 280.324 1.833 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000570038739 359274175 /nfs/dbraw/zinc/27/41/75/359274175.db2.gz GWPIUAPLGOOTCQ-GXFFZTMASA-N 1 0 292.339 1.121 20 5 CDBDRO CCCN(CCn1c(C)ncc1[N+](=O)[O-])CC(=O)OCC ZINC000050052273 359281146 /nfs/dbraw/zinc/28/11/46/359281146.db2.gz VRJPUYVIFBTSHG-UHFFFAOYSA-N 1 0 298.343 1.375 20 5 CDBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCNC1=O ZINC000340225150 359612164 /nfs/dbraw/zinc/61/21/64/359612164.db2.gz GPKJKKYAXJMTSR-CYBMUJFWSA-N 1 0 293.323 1.184 20 5 CDBDRO CC(C)[C@](C)([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000297674421 200259407 /nfs/dbraw/zinc/25/94/07/200259407.db2.gz OUOKOKZRAPHRSN-OCCSQVGLSA-N 1 0 295.339 1.118 20 5 CDBDRO CCOc1ccc(C(=O)NC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000342728126 359994930 /nfs/dbraw/zinc/99/49/30/359994930.db2.gz WTUDUXIEXKEOOS-SNVBAGLBSA-N 1 0 293.323 1.333 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235374970 360065292 /nfs/dbraw/zinc/06/52/92/360065292.db2.gz WNNOINZGIRVKKO-VKYBYORPSA-N 1 0 289.335 1.865 20 5 CDBDRO O=C(NCC[NH2+]C1CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000054265623 360066093 /nfs/dbraw/zinc/06/60/93/360066093.db2.gz NXKAHKSSTWUBLL-UHFFFAOYSA-N 1 0 283.715 1.730 20 5 CDBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000027758864 360345474 /nfs/dbraw/zinc/34/54/74/360345474.db2.gz YCPXTFIPRRBAEX-NSHDSACASA-N 1 0 294.355 1.538 20 5 CDBDRO [NH3+]CCC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000178117350 189091720 /nfs/dbraw/zinc/09/17/20/189091720.db2.gz SFEDIBBVZXPRHK-UHFFFAOYSA-N 1 0 265.313 1.383 20 5 CDBDRO C[C@H]([NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000178341880 189108523 /nfs/dbraw/zinc/10/85/23/189108523.db2.gz AVTPOZPRUAIYQJ-COLVAYQJSA-N 1 0 294.351 1.767 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000147903156 360730103 /nfs/dbraw/zinc/73/01/03/360730103.db2.gz RNLXNLJFPPHDMT-VIFPVBQESA-N 1 0 283.715 1.682 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000178525678 189124054 /nfs/dbraw/zinc/12/40/54/189124054.db2.gz VCQSOZIUMLQBTC-SECBINFHSA-N 1 0 279.296 1.024 20 5 CDBDRO O=C(Nc1ccncc1O)c1csc([N+](=O)[O-])c1 ZINC000358343542 360973480 /nfs/dbraw/zinc/97/34/80/360973480.db2.gz VIWLYUDBOATLPR-UHFFFAOYSA-N 1 0 265.250 1.431 20 5 CDBDRO Cc1cc(NC[C@]2(O)CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000358356433 360976012 /nfs/dbraw/zinc/97/60/12/360976012.db2.gz REYWWDIGBCRWRL-CYBMUJFWSA-N 1 0 265.313 1.382 20 5 CDBDRO C[NH2+]CC1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000237350808 361306415 /nfs/dbraw/zinc/30/64/15/361306415.db2.gz LUIQEWDHWLZLJN-UHFFFAOYSA-N 1 0 292.339 1.249 20 5 CDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCCC[NH2+]C1CC1 ZINC000036267347 361373133 /nfs/dbraw/zinc/37/31/33/361373133.db2.gz TWFUBOUYIFIVRP-UHFFFAOYSA-N 1 0 299.352 1.015 20 5 CDBDRO CC(C)(C)[C@H]([NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000236692901 361360044 /nfs/dbraw/zinc/36/00/44/361360044.db2.gz XGKAPMLWNNWNFT-GFCCVEGCSA-N 1 0 279.340 1.627 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000053253301 361403324 /nfs/dbraw/zinc/40/33/24/361403324.db2.gz ZUFWJXHOEHZGDV-NSHDSACASA-N 1 0 263.297 1.385 20 5 CDBDRO C[NH2+]CCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000036280116 361419196 /nfs/dbraw/zinc/41/91/96/361419196.db2.gz XIYLKPJKOAFVAR-VMPITWQZSA-N 1 0 263.297 1.334 20 5 CDBDRO O=[N+]([O-])c1ccsc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000302022980 201303958 /nfs/dbraw/zinc/30/39/58/201303958.db2.gz OUCYEUXUQDRADG-NSHDSACASA-N 1 0 297.380 1.815 20 5 CDBDRO Cc1cc(C(=O)NCC2=CC[NH2+]CC2)c(N)c([N+](=O)[O-])c1 ZINC000186271341 189434761 /nfs/dbraw/zinc/43/47/61/189434761.db2.gz FKWMTMWYFRCYTE-UHFFFAOYSA-N 1 0 290.323 1.135 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCCO)CC2)n1 ZINC000365506321 363812647 /nfs/dbraw/zinc/81/26/47/363812647.db2.gz DYFNIFJTRGULAV-UHFFFAOYSA-N 1 0 268.317 1.201 20 5 CDBDRO CCOc1ccc(C(=O)NC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000074533163 364439579 /nfs/dbraw/zinc/43/95/79/364439579.db2.gz ILGIWKKEOQFWOG-MRVPVSSYSA-N 1 0 267.285 1.071 20 5 CDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000340974907 365062832 /nfs/dbraw/zinc/06/28/32/365062832.db2.gz JDMXOROOXZGHIP-GFCCVEGCSA-N 1 0 293.323 1.045 20 5 CDBDRO Cc1cc(C(=O)NC[C@H](C2CC2)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000122099934 366888460 /nfs/dbraw/zinc/88/84/60/366888460.db2.gz XOJBEMWRINYHQA-CQSZACIVSA-N 1 0 291.351 1.973 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357586414 367082239 /nfs/dbraw/zinc/08/22/39/367082239.db2.gz XTGJFBLHEYSGGS-SECBINFHSA-N 1 0 295.343 1.229 20 5 CDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)[C@H]2C1 ZINC000272437757 367732628 /nfs/dbraw/zinc/73/26/28/367732628.db2.gz IFVOUKAZDJMLSK-ONGXEEELSA-N 1 0 278.312 1.089 20 5 CDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[NH2+]1 ZINC000130633297 368058528 /nfs/dbraw/zinc/05/85/28/368058528.db2.gz YJDGHQRETFITIM-LLVKDONJSA-N 1 0 292.339 1.265 20 5 CDBDRO CCc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000269265305 368094250 /nfs/dbraw/zinc/09/42/50/368094250.db2.gz KLURQETUHOKSAV-GXFFZTMASA-N 1 0 291.351 1.967 20 5 CDBDRO COC[C@@]1(CNCc2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000414947431 370937474 /nfs/dbraw/zinc/93/74/74/370937474.db2.gz VBYHOEIIGAAMGA-AWEZNQCLSA-N 1 0 279.340 1.453 20 5 CDBDRO Cc1nc(N2CCC([NH2+]CC3CC3)CC2)ncc1[N+](=O)[O-] ZINC000420203439 243926212 /nfs/dbraw/zinc/92/62/12/243926212.db2.gz QPHPIRFJARHVKY-UHFFFAOYSA-N 1 0 291.355 1.662 20 5 CDBDRO COC(=O)Cc1ccc(NC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000420180856 243905561 /nfs/dbraw/zinc/90/55/61/243905561.db2.gz DJRUHOJKHCFVTL-LLVKDONJSA-N 1 0 295.339 1.706 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000420239985 243964048 /nfs/dbraw/zinc/96/40/48/243964048.db2.gz PSVLBVCVIUMQNR-IUCAKERBSA-N 1 0 294.311 1.458 20 5 CDBDRO C[NH2+]CCCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000037611244 369336319 /nfs/dbraw/zinc/33/63/19/369336319.db2.gz DHTVXFKFJBONGY-UHFFFAOYSA-N 1 0 251.286 1.841 20 5 CDBDRO Cc1ccc([C@@H](C)NC[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000330870406 203335425 /nfs/dbraw/zinc/33/54/25/203335425.db2.gz FTDDNISZJAMOJE-DOMZBBRYSA-N 1 0 293.367 1.620 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[C@H]1[NH3+] ZINC000422711409 245168519 /nfs/dbraw/zinc/16/85/19/245168519.db2.gz GYIHPRGYJMHUIC-NEPJUHHUSA-N 1 0 265.313 1.573 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000422736285 245195272 /nfs/dbraw/zinc/19/52/72/245195272.db2.gz VUHONMJHXLROFM-NSHDSACASA-N 1 0 277.324 1.693 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCCC2)c1 ZINC000194246752 372176146 /nfs/dbraw/zinc/17/61/46/372176146.db2.gz QRRRMDCZGUEDJF-UHFFFAOYSA-N 1 0 293.323 1.429 20 5 CDBDRO COCc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)o1 ZINC000151261291 372778724 /nfs/dbraw/zinc/77/87/24/372778724.db2.gz SYQMTKLOIAYDBJ-UHFFFAOYSA-N 1 0 280.284 1.321 20 5 CDBDRO Cc1cnc(OC[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000187691647 373220598 /nfs/dbraw/zinc/22/05/98/373220598.db2.gz PCCNCMHYWUJKKG-SNVBAGLBSA-N 1 0 251.286 1.629 20 5 CDBDRO COC[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269647254 373301920 /nfs/dbraw/zinc/30/19/20/373301920.db2.gz LDXRCDSKLBLJJS-DOMZBBRYSA-N 1 0 294.351 1.987 20 5 CDBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000520554973 373549906 /nfs/dbraw/zinc/54/99/06/373549906.db2.gz WMMLBXQLTBXBDC-UHFFFAOYSA-N 1 0 296.371 1.593 20 5 CDBDRO COc1cc(N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000214130331 373673741 /nfs/dbraw/zinc/67/37/41/373673741.db2.gz JGRAHKYIZVQKPV-VIFPVBQESA-N 1 0 283.328 1.974 20 5 CDBDRO C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000352150925 373723819 /nfs/dbraw/zinc/72/38/19/373723819.db2.gz YZCMMGIWVFZJDV-NSHDSACASA-N 1 0 293.367 1.939 20 5 CDBDRO CNc1c(C(=O)NC[C@@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000161461427 373756235 /nfs/dbraw/zinc/75/62/35/373756235.db2.gz GWBZWMAWORNUGD-SECBINFHSA-N 1 0 280.328 1.316 20 5 CDBDRO COc1cc(N[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000168996023 373852342 /nfs/dbraw/zinc/85/23/42/373852342.db2.gz CFGZJFJFZAEBIJ-SECBINFHSA-N 1 0 253.302 1.965 20 5 CDBDRO C[C@@H]1C[NH+](CCCNc2ccc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000253602344 373938045 /nfs/dbraw/zinc/93/80/45/373938045.db2.gz ACTFHCOOOFBNNC-VXGBXAGGSA-N 1 0 294.355 1.901 20 5 CDBDRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000289541366 197395639 /nfs/dbraw/zinc/39/56/39/197395639.db2.gz JTZDDXIYFWFYHC-TZMCWYRMSA-N 1 0 291.351 1.845 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C[NH+](C)C)C1 ZINC000113513337 374261765 /nfs/dbraw/zinc/26/17/65/374261765.db2.gz ZRXLBPFPCCFLHL-GFCCVEGCSA-N 1 0 293.367 1.987 20 5 CDBDRO C[NH+](C)CCOCCNc1c(F)cccc1[N+](=O)[O-] ZINC000311684851 374263514 /nfs/dbraw/zinc/26/35/14/374263514.db2.gz NRYMPWNWGBFBDM-UHFFFAOYSA-N 1 0 271.292 1.724 20 5 CDBDRO CC(C)[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298951876 374274364 /nfs/dbraw/zinc/27/43/64/374274364.db2.gz KSIPZIBJCAIOHR-UHFFFAOYSA-N 1 0 268.317 1.383 20 5 CDBDRO Cc1nccn1CCC[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000130930665 374238936 /nfs/dbraw/zinc/23/89/36/374238936.db2.gz POURDZWHLCKPNY-UHFFFAOYSA-N 1 0 292.343 1.318 20 5 CDBDRO Cc1ccc(C[NH2+]CCC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000078893053 374360014 /nfs/dbraw/zinc/36/00/14/374360014.db2.gz WHGRETLTOCHIBI-UHFFFAOYSA-N 1 0 279.340 1.908 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000115341084 374400806 /nfs/dbraw/zinc/40/08/06/374400806.db2.gz ABTOHOJRDARZRD-DTWKUNHWSA-N 1 0 253.306 1.258 20 5 CDBDRO NC(=O)C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000377554719 374607162 /nfs/dbraw/zinc/60/71/62/374607162.db2.gz OBOOURBDBBPLND-LBPRGKRZSA-N 1 0 277.324 1.335 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000331410242 374950113 /nfs/dbraw/zinc/95/01/13/374950113.db2.gz PFZPPMIVUQKHLO-SECBINFHSA-N 1 0 293.327 1.065 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CC=CCC1 ZINC000280364179 374993976 /nfs/dbraw/zinc/99/39/76/374993976.db2.gz YIIGZWRFVZRDKJ-UHFFFAOYSA-N 1 0 289.335 1.515 20 5 CDBDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332669046 375042898 /nfs/dbraw/zinc/04/28/98/375042898.db2.gz QHIIHOHCHBLQSG-JTQLQIEISA-N 1 0 252.318 1.949 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H](C)C(=O)NCCF)cc1[N+](=O)[O-] ZINC000282685201 375098201 /nfs/dbraw/zinc/09/82/01/375098201.db2.gz NSDGFEVJXQYLNV-JTQLQIEISA-N 1 0 283.303 1.467 20 5 CDBDRO CCc1ccc(C(=O)N2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000471946520 375059384 /nfs/dbraw/zinc/05/93/84/375059384.db2.gz MUSAWKWMHGPGOL-NSHDSACASA-N 1 0 291.351 1.933 20 5 CDBDRO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284139879 375130226 /nfs/dbraw/zinc/13/02/26/375130226.db2.gz ORMNAKNGKXGTFE-IINYFYTJSA-N 1 0 297.355 1.615 20 5 CDBDRO C[NH+]1CCN(CCCNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000299434536 375170523 /nfs/dbraw/zinc/17/05/23/375170523.db2.gz ODLSFVRCZIWIRK-UHFFFAOYSA-N 1 0 296.346 1.783 20 5 CDBDRO Cn1ncc2c1nc(NCc1ccccc1[N+](=O)[O-])nc2N ZINC000302848660 375260253 /nfs/dbraw/zinc/26/02/53/375260253.db2.gz OYHNPDRFBGCZPQ-UHFFFAOYSA-N 1 0 299.294 1.466 20 5 CDBDRO C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000057308095 375413666 /nfs/dbraw/zinc/41/36/66/375413666.db2.gz AOCVPNXQSZWWML-NSHDSACASA-N 1 0 277.324 1.809 20 5 CDBDRO CCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000049480651 375447613 /nfs/dbraw/zinc/44/76/13/375447613.db2.gz NKILCQCZHQFIJN-UHFFFAOYSA-N 1 0 281.312 1.884 20 5 CDBDRO CO[C@H](C)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000353223039 375589053 /nfs/dbraw/zinc/58/90/53/375589053.db2.gz VTFCMDKOGDNKSV-LLVKDONJSA-N 1 0 295.339 1.890 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132792140 375594369 /nfs/dbraw/zinc/59/43/69/375594369.db2.gz SECCOVLCHHRBMD-TVQRCGJNSA-N 1 0 295.314 1.981 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC(=O)N(C)C1 ZINC000344830139 375550507 /nfs/dbraw/zinc/55/05/07/375550507.db2.gz RBGYOILXVFERHE-GXJZLWQJSA-N 1 0 289.335 1.818 20 5 CDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@H+](C)C1CC1 ZINC000057703189 375564323 /nfs/dbraw/zinc/56/43/23/375564323.db2.gz IOPNLXVWWBNXDY-SECBINFHSA-N 1 0 295.314 1.946 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000132750994 375584136 /nfs/dbraw/zinc/58/41/36/375584136.db2.gz LPMMYAVARDKJCV-PRHODGIISA-N 1 0 281.287 1.543 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000426811229 247065871 /nfs/dbraw/zinc/06/58/71/247065871.db2.gz SGDFQQFWICFFMZ-QWRGUYRKSA-N 1 0 264.329 1.950 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357076612 375705444 /nfs/dbraw/zinc/70/54/44/375705444.db2.gz KDGBIVXCZPPUON-QWRGUYRKSA-N 1 0 279.315 1.775 20 5 CDBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]CCc1nnc[nH]1 ZINC000345044401 375731937 /nfs/dbraw/zinc/73/19/37/375731937.db2.gz PAPVJYOPQIXSKJ-YRNVUSSQSA-N 1 0 287.323 1.949 20 5 CDBDRO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C1CC1 ZINC000357433091 375908817 /nfs/dbraw/zinc/90/88/17/375908817.db2.gz CPWRDUMRRPUSOH-STQMWFEESA-N 1 0 294.355 1.273 20 5 CDBDRO CCC[NH2+][C@@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000296471077 376178246 /nfs/dbraw/zinc/17/82/46/376178246.db2.gz PNGWJDTUJKZAHV-JTQLQIEISA-N 1 0 265.313 1.599 20 5 CDBDRO CCc1ccc(C(=O)NC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000262494717 190056319 /nfs/dbraw/zinc/05/63/19/190056319.db2.gz BSEPXHKPFXRQBL-UHFFFAOYSA-N 1 0 277.324 1.639 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000262974557 190065380 /nfs/dbraw/zinc/06/53/80/190065380.db2.gz XXTPVKLSWNWDAC-MNOVXSKESA-N 1 0 292.339 1.263 20 5 CDBDRO CC(C)[C@H]([NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000262699292 190060650 /nfs/dbraw/zinc/06/06/50/190060650.db2.gz GPXDFQYUJQRZBZ-LBPRGKRZSA-N 1 0 265.313 1.237 20 5 CDBDRO C[C@@H]1[NH2+]CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@H]1C ZINC000262757517 190062522 /nfs/dbraw/zinc/06/25/22/190062522.db2.gz HWALFZYFLVCMFS-YUMQZZPRSA-N 1 0 269.326 1.479 20 5 CDBDRO COc1ccc(C[NH2+]C[C@H]2CCCC(=O)N2)cc1[N+](=O)[O-] ZINC000433195330 248007394 /nfs/dbraw/zinc/00/73/94/248007394.db2.gz UBQBVMUTHFNPDN-LLVKDONJSA-N 1 0 293.323 1.362 20 5 CDBDRO O=C1CCC[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)N1 ZINC000433202604 248010802 /nfs/dbraw/zinc/01/08/02/248010802.db2.gz RVWBCTOTTZRBJE-VIFPVBQESA-N 1 0 269.326 1.415 20 5 CDBDRO COCC[C@@](C)(O)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000172069875 377239599 /nfs/dbraw/zinc/23/95/99/377239599.db2.gz ZRCKCZGNGJHINA-CQSZACIVSA-N 1 0 298.339 1.481 20 5 CDBDRO CC[N@H+](CCOC)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266510168 190262539 /nfs/dbraw/zinc/26/25/39/190262539.db2.gz DFYAMVJYCINIBX-UHFFFAOYSA-N 1 0 298.339 1.951 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([NH3+])C1 ZINC000041029160 379249925 /nfs/dbraw/zinc/24/99/25/379249925.db2.gz MKUNZLGYIKJFRS-LLVKDONJSA-N 1 0 265.313 1.527 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC3(CCCC3)C2)c1 ZINC000174275001 379432892 /nfs/dbraw/zinc/43/28/92/379432892.db2.gz CWQCUHQWUIWZGY-ZDUSSCGKSA-N 1 0 294.355 1.418 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cccs1 ZINC000267049987 190299577 /nfs/dbraw/zinc/29/95/77/190299577.db2.gz FZQSOAWRZKNQBR-UHFFFAOYSA-N 1 0 266.326 1.985 20 5 CDBDRO CCn1c(CC[NH3+])nnc1Sc1ccccc1[N+](=O)[O-] ZINC000267158211 190307647 /nfs/dbraw/zinc/30/76/47/190307647.db2.gz YLAHLZLJBRJJJG-UHFFFAOYSA-N 1 0 293.352 1.859 20 5 CDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000268206097 190386266 /nfs/dbraw/zinc/38/62/66/190386266.db2.gz JSBBNXVKPXSPGV-HZMBPMFUSA-N 1 0 289.335 1.807 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000449591407 250921052 /nfs/dbraw/zinc/92/10/52/250921052.db2.gz QGCBBBKSHCHGHH-UWVGGRQHSA-N 1 0 281.312 1.216 20 5 CDBDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279219984 194338539 /nfs/dbraw/zinc/33/85/39/194338539.db2.gz HZMLTXWWNNHZGE-CABZTGNLSA-N 1 0 277.324 1.972 20 5 CDBDRO CCC[C@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450557895 251339486 /nfs/dbraw/zinc/33/94/86/251339486.db2.gz BZAICDLEPHMVPN-YPMHNXCESA-N 1 0 294.355 1.637 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000491739607 253096708 /nfs/dbraw/zinc/09/67/08/253096708.db2.gz KIPOPJRBCQXGJD-IRBQFCFKSA-N 1 0 289.335 1.676 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)/C=C\C[NH+](C)C ZINC000492426454 253216428 /nfs/dbraw/zinc/21/64/28/253216428.db2.gz NGLCJHIUUSASKG-PLNGDYQASA-N 1 0 293.323 1.337 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(N3CCC[NH2+]CC3)ccc2c1 ZINC000029339890 285148539 /nfs/dbraw/zinc/14/85/39/285148539.db2.gz DKLQZCAIKFJPKG-UHFFFAOYSA-N 1 0 272.308 1.943 20 5 in-vivo CDBDRO CC(C)(CCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000336796601 390199210 /nfs/dbraw/zinc/19/92/10/390199210.db2.gz UMVLCIOWWUCYGA-UHFFFAOYSA-N 1 0 254.290 1.170 20 5 CDBDRO CC(C)[C@@H](C[NH3+])C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000433140582 390495778 /nfs/dbraw/zinc/49/57/78/390495778.db2.gz IIQMWKHHWCYNFM-CYBMUJFWSA-N 1 0 294.355 1.354 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000150272820 390477937 /nfs/dbraw/zinc/47/79/37/390477937.db2.gz NFRIPIBTKLCMMN-SECBINFHSA-N 1 0 283.303 1.981 20 5 CDBDRO CC(C)O[C@@H]1C[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000451492043 390626965 /nfs/dbraw/zinc/62/69/65/390626965.db2.gz FLCJOZMLWRAQMQ-NWDGAFQWSA-N 1 0 296.371 1.973 20 5 CDBDRO COc1cccc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c1[N+](=O)[O-] ZINC000517234585 390968619 /nfs/dbraw/zinc/96/86/19/390968619.db2.gz LLJGDWNQAXDMAH-GXSJLCMTSA-N 1 0 293.323 1.413 20 5 CDBDRO COC[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000452037374 390982096 /nfs/dbraw/zinc/98/20/96/390982096.db2.gz LGEKYGVRVUZIRE-LLVKDONJSA-N 1 0 268.317 1.292 20 5 CDBDRO COc1cc(C(=O)NCCCC[NH3+])ccc1[N+](=O)[O-] ZINC000167003724 533533121 /nfs/dbraw/zinc/53/31/21/533533121.db2.gz KHIQMOIZSYTOHU-UHFFFAOYSA-N 1 0 267.285 1.072 20 5 CDBDRO CC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000413573735 391241205 /nfs/dbraw/zinc/24/12/05/391241205.db2.gz SPMOPSVGTAJBID-VIFPVBQESA-N 1 0 251.290 1.199 20 5 CDBDRO O=[N+]([O-])c1ccc(CNCCC[NH2+]C2CC2)c(F)c1 ZINC000415065852 391253862 /nfs/dbraw/zinc/25/38/62/391253862.db2.gz HVRWHZCVAXCMJK-UHFFFAOYSA-N 1 0 267.304 1.966 20 5 CDBDRO Cc1nc(NCC[C@H]2CCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC000413435606 391214073 /nfs/dbraw/zinc/21/40/73/391214073.db2.gz HJNUGVOWKUQFBG-LLVKDONJSA-N 1 0 279.344 1.259 20 5 CDBDRO C[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[NH2+]1 ZINC000052783513 391334647 /nfs/dbraw/zinc/33/46/47/391334647.db2.gz DGPYAGRGPJKNJB-JTQLQIEISA-N 1 0 272.308 1.941 20 5 CDBDRO CCNC(=O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449223725 391341863 /nfs/dbraw/zinc/34/18/63/391341863.db2.gz YRKSAOSZVXEEBW-JTQLQIEISA-N 1 0 265.313 1.252 20 5 CDBDRO Cc1cnc(N2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000266184628 391477819 /nfs/dbraw/zinc/47/78/19/391477819.db2.gz DNTYUNIVGOGZHP-UHFFFAOYSA-N 1 0 276.340 1.973 20 5 CDBDRO Cc1cc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)ncc1[N+](=O)[O-] ZINC000292396847 391630165 /nfs/dbraw/zinc/63/01/65/391630165.db2.gz UPGRYJDRXAFVHU-CQSZACIVSA-N 1 0 276.340 1.830 20 5 CDBDRO CC/C=C/C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000574311955 391596903 /nfs/dbraw/zinc/59/69/03/391596903.db2.gz FDKXWIGIZQZEIO-MJRJWQSSSA-N 1 0 280.324 1.890 20 5 CDBDRO Cc1cnc(N2CC[C@@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000229099954 391711252 /nfs/dbraw/zinc/71/12/52/391711252.db2.gz XJRJPOXMAKGDNM-MNOVXSKESA-N 1 0 264.329 1.719 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000320788710 392002928 /nfs/dbraw/zinc/00/29/28/392002928.db2.gz FQSJBOOXRNJFJO-BDAKNGLRSA-N 1 0 266.301 1.842 20 5 CDBDRO CC1(C)C[NH2+][C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000591675124 391981075 /nfs/dbraw/zinc/98/10/75/391981075.db2.gz SXJYQPBPFLGYGX-LLVKDONJSA-N 1 0 263.297 1.209 20 5 CDBDRO CN(C)CC(C)(C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000459539025 392459628 /nfs/dbraw/zinc/45/96/28/392459628.db2.gz OQPOVVIKDFZDRU-UHFFFAOYSA-N 1 0 281.356 1.903 20 5 CDBDRO CN(CC[NH+]1CCCCC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000593882090 392619113 /nfs/dbraw/zinc/61/91/13/392619113.db2.gz BQQQCGOADZKYAR-UHFFFAOYSA-N 1 0 281.312 1.746 20 5 CDBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000488803936 392728063 /nfs/dbraw/zinc/72/80/63/392728063.db2.gz ZGSRCYVWIQSKKE-VXGBXAGGSA-N 1 0 280.324 1.676 20 5 CDBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ncc([N+](=O)[O-])c(C)n1 ZINC000297418928 392897122 /nfs/dbraw/zinc/89/71/22/392897122.db2.gz HAVGIXQGNBJJDN-RYUDHWBXSA-N 1 0 291.355 1.756 20 5 CDBDRO Cc1nc(N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000420245571 392913466 /nfs/dbraw/zinc/91/34/66/392913466.db2.gz QVLNWTPTQPZXBS-QWHCGFSZSA-N 1 0 299.334 1.624 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000417857221 392874049 /nfs/dbraw/zinc/87/40/49/392874049.db2.gz UAGZRGKBORZZIG-VHSXEESVSA-N 1 0 280.328 1.611 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1nc2sccn2c1[N+](=O)[O-] ZINC000420636397 392921020 /nfs/dbraw/zinc/92/10/20/392921020.db2.gz NJNNUMBTAKWVAQ-VIFPVBQESA-N 1 0 295.368 1.834 20 5 CDBDRO COc1cc(C(=O)N2CCC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1C ZINC000422688473 392956775 /nfs/dbraw/zinc/95/67/75/392956775.db2.gz KPYJEXHFEVOQBA-LLVKDONJSA-N 1 0 293.323 1.475 20 5 CDBDRO [NH3+][C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CCC1 ZINC000423180168 392959388 /nfs/dbraw/zinc/95/93/88/392959388.db2.gz IIINJQDBEQOMRE-AWEZNQCLSA-N 1 0 289.335 1.607 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)[C@]23C[C@H]2CC[NH2+]3)cc1[N+](=O)[O-] ZINC000423278398 392961277 /nfs/dbraw/zinc/96/12/77/392961277.db2.gz PUQUTEKMMJZWOW-NVBFEUDRSA-N 1 0 289.335 1.832 20 5 CDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])n1 ZINC000423687990 392967129 /nfs/dbraw/zinc/96/71/29/392967129.db2.gz WFJNCSGZRWDSTE-NXEZZACHSA-N 1 0 295.343 1.011 20 5 CDBDRO CCOc1ccc(C(=O)N[C@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000449590238 393135567 /nfs/dbraw/zinc/13/55/67/393135567.db2.gz KYSFRJGIBKTEFD-RKDXNWHRSA-N 1 0 281.312 1.459 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000449593537 393136135 /nfs/dbraw/zinc/13/61/35/393136135.db2.gz PGNSDDDPVBVBJF-MNOVXSKESA-N 1 0 294.355 1.639 20 5 CDBDRO CC[N@H+](CCOCCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000281914890 393163603 /nfs/dbraw/zinc/16/36/03/393163603.db2.gz CKMYWJADUTUHSV-UHFFFAOYSA-N 1 0 298.339 1.304 20 5 CDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N[C@H]1CC[NH2+]C1 ZINC000493757103 393220130 /nfs/dbraw/zinc/22/01/30/393220130.db2.gz NUVBAIGSCIJWEZ-MORRKMRCSA-N 1 0 279.271 1.225 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000215964896 393207414 /nfs/dbraw/zinc/20/74/14/393207414.db2.gz GOLWEDCHKQFWOL-MRJODMTISA-N 1 0 289.335 1.817 20 5 CDBDRO C[NH+](C)C/C=C\C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000491861325 393208820 /nfs/dbraw/zinc/20/88/20/393208820.db2.gz ABFOQQMKBRWPDV-DAXSKMNVSA-N 1 0 275.308 1.602 20 5 CDBDRO Cc1cc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000275431948 135106930 /nfs/dbraw/zinc/10/69/30/135106930.db2.gz VLHNSDWKNXXYJO-STQMWFEESA-N 1 0 293.367 1.795 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000229591483 140202122 /nfs/dbraw/zinc/20/21/22/140202122.db2.gz NZLIGVOMTJLYDG-BXKDBHETSA-N 1 0 299.352 1.014 20 5 CDBDRO O=[N+]([O-])c1cncc(Br)c1N[C@@H]1CC[NH2+]C1 ZINC000232479789 140223060 /nfs/dbraw/zinc/22/30/60/140223060.db2.gz OGBPKEJLCCYCQO-ZCFIWIBFSA-N 1 0 287.117 1.526 20 5 CDBDRO CCc1nn(C)c(N2CC[C@@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000252776267 140325593 /nfs/dbraw/zinc/32/55/93/140325593.db2.gz KIZXPEFLASPMBP-DTWKUNHWSA-N 1 0 267.333 1.064 20 5 CDBDRO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1[N+](=O)[O-] ZINC000252854496 140326637 /nfs/dbraw/zinc/32/66/37/140326637.db2.gz HAMHQYIUDNXMHV-OBJOEFQTSA-N 1 0 292.335 1.806 20 5 CDBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH3+] ZINC000261581012 140355160 /nfs/dbraw/zinc/35/51/60/140355160.db2.gz QHARAPJLKFVNET-UFBFGSQYSA-N 1 0 253.277 1.513 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261586759 140357373 /nfs/dbraw/zinc/35/73/73/140357373.db2.gz JBVUJYHBNJVYGS-GXTWGEPZSA-N 1 0 261.325 1.779 20 5 CDBDRO [NH3+][C@@H]1CC[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000261602088 140360974 /nfs/dbraw/zinc/36/09/74/140360974.db2.gz QHSMHPXMUBWXED-IACUBPJLSA-N 1 0 261.325 1.764 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(F)c1 ZINC000261856044 140398962 /nfs/dbraw/zinc/39/89/62/140398962.db2.gz XEWOWHQEDZWCQY-RISCZKNCSA-N 1 0 279.315 1.918 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000129439597 147625180 /nfs/dbraw/zinc/62/51/80/147625180.db2.gz XKMJLNLQKZHKBH-VIFPVBQESA-N 1 0 266.301 1.572 20 5 CDBDRO C[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000262591840 149079565 /nfs/dbraw/zinc/07/95/65/149079565.db2.gz WIKQWHHHQFZZTO-SNVBAGLBSA-N 1 0 277.324 1.109 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)CO ZINC000305431137 149129737 /nfs/dbraw/zinc/12/97/37/149129737.db2.gz FALSFOAOHZPULH-NSHDSACASA-N 1 0 295.339 1.544 20 5 CDBDRO C[C@H](O)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000310918323 149204429 /nfs/dbraw/zinc/20/44/29/149204429.db2.gz GRDMKISSMRBSPB-IUCAKERBSA-N 1 0 256.277 1.983 20 5 CDBDRO Cc1ccc(C(=O)N[C@@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000311049072 149207787 /nfs/dbraw/zinc/20/77/87/149207787.db2.gz WUKCEVCUFWZRFT-VIFPVBQESA-N 1 0 251.286 1.370 20 5 CDBDRO COCC[N@@H+]1CC[C@@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000328442719 149268831 /nfs/dbraw/zinc/26/88/31/149268831.db2.gz BAGLZRXLCRKPFT-SNVBAGLBSA-N 1 0 283.303 1.867 20 5 CDBDRO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)CCC[N@@H+]1C ZINC000343561367 152225149 /nfs/dbraw/zinc/22/51/49/152225149.db2.gz QAFCSVZZOWIHAN-RKDXNWHRSA-N 1 0 267.285 1.400 20 5 CDBDRO C[C@@H]1[C@H](Nc2ncccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343571683 152228037 /nfs/dbraw/zinc/22/80/37/152228037.db2.gz ZXDSEHXYCOFGHG-NXEZZACHSA-N 1 0 250.302 1.884 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000346169319 153080639 /nfs/dbraw/zinc/08/06/39/153080639.db2.gz QDLYOABGADIPCL-VXGBXAGGSA-N 1 0 281.360 1.206 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000261631270 292282819 /nfs/dbraw/zinc/28/28/19/292282819.db2.gz WAJPKIPGGMUFIW-KOLCDFICSA-N 1 0 263.297 1.465 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2C2CCOCC2)n1 ZINC000348948223 154012683 /nfs/dbraw/zinc/01/26/83/154012683.db2.gz LUAPTHNBPREQHV-ZDUSSCGKSA-N 1 0 294.355 1.682 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CC[C@@H](CO)O1 ZINC000353709806 156032120 /nfs/dbraw/zinc/03/21/20/156032120.db2.gz SGWRIOSHRFCDRS-DWMAKUKJSA-N 1 0 292.335 1.738 20 5 CDBDRO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1C[NH2+]C1 ZINC000357083996 157652095 /nfs/dbraw/zinc/65/20/95/157652095.db2.gz JDTAOMDCDQPRHL-UHFFFAOYSA-N 1 0 289.295 1.048 20 5 CDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000359195283 158158424 /nfs/dbraw/zinc/15/84/24/158158424.db2.gz KFMSBJPKKGVQNZ-VIFPVBQESA-N 1 0 267.285 1.402 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](CO)c2ccc(F)cc2)c1 ZINC000359617216 158313937 /nfs/dbraw/zinc/31/39/37/158313937.db2.gz LQLBAGQLCUSEDS-CYBMUJFWSA-N 1 0 294.286 1.254 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000372961876 160161248 /nfs/dbraw/zinc/16/12/48/160161248.db2.gz UZKNXGWAMCLDAP-DGCLKSJQSA-N 1 0 289.335 1.348 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000020501373 171227478 /nfs/dbraw/zinc/22/74/78/171227478.db2.gz DFJDWLPOHJPCTM-UHFFFAOYSA-N 1 0 277.324 1.301 20 5 CDBDRO CCOc1cc(C[N@H+](C)C2(CO)CC2)ccc1[N+](=O)[O-] ZINC000285355449 196259378 /nfs/dbraw/zinc/25/93/78/196259378.db2.gz BEMRLKBDVNBGLZ-UHFFFAOYSA-N 1 0 280.324 1.950 20 5 CDBDRO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000044381281 413710630 /nfs/dbraw/zinc/71/06/30/413710630.db2.gz ZJZDCDGSODZOKN-CYBMUJFWSA-N 1 0 280.324 1.819 20 5 CDBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000044492252 175180844 /nfs/dbraw/zinc/18/08/44/175180844.db2.gz YEYMZHIMYGMUIF-LLVKDONJSA-N 1 0 263.297 1.467 20 5 CDBDRO Cc1ccc(C(=O)NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000044492022 175180982 /nfs/dbraw/zinc/18/09/82/175180982.db2.gz RNBUJZNYVIRXJK-GFCCVEGCSA-N 1 0 277.324 1.775 20 5 CDBDRO C[NH+]1CCC(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000044526315 175191666 /nfs/dbraw/zinc/19/16/66/175191666.db2.gz IEHKNZRXDVQDAA-UHFFFAOYSA-N 1 0 292.339 1.447 20 5 CDBDRO CNC(=O)c1ccc(NC[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000071185865 176059993 /nfs/dbraw/zinc/05/99/93/176059993.db2.gz VGBIXVOCRBLCDQ-SNVBAGLBSA-N 1 0 292.339 1.318 20 5 CDBDRO Cc1nn(CC[NH+]2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000071799161 176265492 /nfs/dbraw/zinc/26/54/92/176265492.db2.gz LXIQFLHBQAERKI-UHFFFAOYSA-N 1 0 252.318 1.894 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCO)C(C)C ZINC000078686420 177371389 /nfs/dbraw/zinc/37/13/89/177371389.db2.gz GCLZSTOWGWQZOG-UHFFFAOYSA-N 1 0 295.339 1.544 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417933474 227222823 /nfs/dbraw/zinc/22/28/23/227222823.db2.gz DXCZINPTXKDFTB-JTQLQIEISA-N 1 0 280.328 1.174 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000322994537 260119344 /nfs/dbraw/zinc/11/93/44/260119344.db2.gz DIAKYMSLBOBKSJ-MRVPVSSYSA-N 1 0 269.276 1.348 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000214355128 260287892 /nfs/dbraw/zinc/28/78/92/260287892.db2.gz CCAIPJGYBQZFQN-GFVADAIESA-N 1 0 263.297 1.462 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[NH2+]CCCO2)c1 ZINC000390017776 262076474 /nfs/dbraw/zinc/07/64/74/262076474.db2.gz VLEWZEKYESSSCA-LLVKDONJSA-N 1 0 293.323 1.012 20 5 CDBDRO CC[N@H+](CCO)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000184588998 270253946 /nfs/dbraw/zinc/25/39/46/270253946.db2.gz IDQQXZQNYPYYKH-UHFFFAOYSA-N 1 0 296.327 1.031 20 5 CDBDRO C[C@]1(C[NH3+])CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000314827184 270326290 /nfs/dbraw/zinc/32/62/90/270326290.db2.gz RQLZDINVWGZWGU-IJVDHGTGSA-N 1 0 289.335 1.805 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1C[NH2+]CCN1C ZINC000394717243 270338747 /nfs/dbraw/zinc/33/87/47/270338747.db2.gz ABIFZPSJVSVNFL-GFCCVEGCSA-N 1 0 264.329 1.219 20 5 CDBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H](C)O ZINC000395446644 270342859 /nfs/dbraw/zinc/34/28/59/270342859.db2.gz XNVWVDKTRCXDNY-UFBFGSQYSA-N 1 0 256.277 1.983 20 5 CDBDRO [NH3+]CC1(O)CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000397101235 270346352 /nfs/dbraw/zinc/34/63/52/270346352.db2.gz MVSWUWJVIJUYKP-UHFFFAOYSA-N 1 0 299.758 1.534 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000397206637 270346954 /nfs/dbraw/zinc/34/69/54/270346954.db2.gz ZVRQLPNTPDLQAJ-UHFFFAOYSA-N 1 0 269.276 1.591 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000524337738 270598511 /nfs/dbraw/zinc/59/85/11/270598511.db2.gz XWSWRTYKVVDWLV-NSHDSACASA-N 1 0 294.355 1.734 20 5 CDBDRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000219070206 274179019 /nfs/dbraw/zinc/17/90/19/274179019.db2.gz HQLMGGWYMUQMKO-CABZTGNLSA-N 1 0 270.354 1.797 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CNCCN1C ZINC000423507191 274231393 /nfs/dbraw/zinc/23/13/93/274231393.db2.gz HTFBPFRNYOUJMQ-JSGCOSHPSA-N 1 0 292.383 1.019 20 5 CDBDRO C[NH+](C)C1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000270850534 276774875 /nfs/dbraw/zinc/77/48/75/276774875.db2.gz PUYAUDAIOLKZPG-UHFFFAOYSA-N 1 0 289.291 1.727 20 5 CDBDRO C[NH+](C)CC1(Nc2ccc([N+](=O)[O-])cn2)CCC1 ZINC000282021741 276782442 /nfs/dbraw/zinc/78/24/42/276782442.db2.gz XPOMUYNMKALZPV-UHFFFAOYSA-N 1 0 250.302 1.886 20 5 CDBDRO CNC(=O)[C@H](C)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000291936634 277249060 /nfs/dbraw/zinc/24/90/60/277249060.db2.gz PHJCVGLJBBSERY-GWCFXTLKSA-N 1 0 291.351 1.640 20 5 CDBDRO C[C@H]([NH3+])C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000110651506 278224473 /nfs/dbraw/zinc/22/44/73/278224473.db2.gz BENJMVKIJAXFEZ-VIFPVBQESA-N 1 0 250.302 1.553 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262826384 279105201 /nfs/dbraw/zinc/10/52/01/279105201.db2.gz UBXCPCZQTHICPH-VHSXEESVSA-N 1 0 263.297 1.417 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000108344914 279306169 /nfs/dbraw/zinc/30/61/69/279306169.db2.gz ZXIKDLXQOXDJNR-JTQLQIEISA-N 1 0 295.314 1.806 20 5 CDBDRO C[C@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000057700940 279345064 /nfs/dbraw/zinc/34/50/64/279345064.db2.gz LFHXABDKAHWRRJ-SECBINFHSA-N 1 0 295.314 1.946 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000070177037 279664607 /nfs/dbraw/zinc/66/46/07/279664607.db2.gz MADDKKHAJYPTAE-GWCFXTLKSA-N 1 0 277.324 1.794 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCC[C@H]2CO)c1 ZINC000230679391 280117958 /nfs/dbraw/zinc/11/79/58/280117958.db2.gz YPGBQMDXMCXQQH-AAEUAGOBSA-N 1 0 250.298 1.845 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289118005 280190615 /nfs/dbraw/zinc/19/06/15/280190615.db2.gz DGJRVWJGBOWLFS-HNNXBMFYSA-N 1 0 289.335 1.811 20 5 CDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCCC[NH2+]C1CC1 ZINC000517568265 281003201 /nfs/dbraw/zinc/00/32/01/281003201.db2.gz AQUFBOAWTNYYIF-UHFFFAOYSA-N 1 0 292.339 1.265 20 5 CDBDRO CC(C)COC[C@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000521228198 281070380 /nfs/dbraw/zinc/07/03/80/281070380.db2.gz PAZKJDTXKHWMNX-OAHLLOKOSA-N 1 0 296.367 1.760 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000531389722 281759475 /nfs/dbraw/zinc/75/94/75/281759475.db2.gz ZEEPNZLTOVLIJC-MNOVXSKESA-N 1 0 294.355 1.536 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255627976 289380530 /nfs/dbraw/zinc/38/05/30/289380530.db2.gz DDDPXFNCKIETER-LJTDUEICSA-N 1 0 289.335 1.818 20 5 CDBDRO CNc1ccc(C(=O)NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000564945052 293466058 /nfs/dbraw/zinc/46/60/58/293466058.db2.gz KKVZBIOKLJUSNA-UHFFFAOYSA-N 1 0 266.301 1.104 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CCSCC1CC[NH2+]CC1 ZINC000568507424 294048695 /nfs/dbraw/zinc/04/86/95/294048695.db2.gz XLUBMILLBYLJJU-UHFFFAOYSA-N 1 0 297.380 1.489 20 5 CDBDRO CNc1ccc(C(=O)N[C@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000569224476 294177623 /nfs/dbraw/zinc/17/76/23/294177623.db2.gz GQMDDNXSVWBRKP-DTWKUNHWSA-N 1 0 280.328 1.492 20 5 CDBDRO COc1cccc(C(=O)N2CCC(C[NH3+])CC2)c1[N+](=O)[O-] ZINC000570927007 294334826 /nfs/dbraw/zinc/33/48/26/294334826.db2.gz RZGMNWQKZAYZML-UHFFFAOYSA-N 1 0 293.323 1.414 20 5 CDBDRO CC(C)Oc1nc(NC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000574823125 295061115 /nfs/dbraw/zinc/06/11/15/295061115.db2.gz QWOWOXWFXOOPKP-JTQLQIEISA-N 1 0 282.344 1.561 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000275186783 301850612 /nfs/dbraw/zinc/85/06/12/301850612.db2.gz YJDUSZGKJPSTRJ-PWSUYJOCSA-N 1 0 277.324 1.631 20 5 CDBDRO Cc1cnc(N2CC[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000227076420 302352541 /nfs/dbraw/zinc/35/25/41/302352541.db2.gz ITUFXVAJGRWRPL-UWVGGRQHSA-N 1 0 250.302 1.472 20 5 CDBDRO O=c1c2cc([N+](=O)[O-])ccc2ncn1CC[C@H]1CC[NH2+]C1 ZINC000566183423 316504614 /nfs/dbraw/zinc/50/46/14/316504614.db2.gz DVHZVCHDDQQTNA-SNVBAGLBSA-N 1 0 288.307 1.304 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000381334405 323625364 /nfs/dbraw/zinc/62/53/64/323625364.db2.gz CJSJRIPYJXCAGB-RNFRBKRXSA-N 1 0 255.249 1.199 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000382454712 323641648 /nfs/dbraw/zinc/64/16/48/323641648.db2.gz PMUHXWGGLOMVJL-NXEZZACHSA-N 1 0 299.352 1.001 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000389804589 323810752 /nfs/dbraw/zinc/81/07/52/323810752.db2.gz ZEERGBAZMVEWMU-PRHODGIISA-N 1 0 281.287 1.462 20 5 CDBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])nc3)C2)C1 ZINC000579663956 324244451 /nfs/dbraw/zinc/24/44/51/324244451.db2.gz KARMLIAXETVIBP-CYBMUJFWSA-N 1 0 262.313 1.522 20 5 CDBDRO C[NH2+]C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000234413037 522092415 /nfs/dbraw/zinc/09/24/15/522092415.db2.gz HOQZMOUHDZMQCP-MRVPVSSYSA-N 1 0 270.720 1.689 20 5 CDBDRO CC(C)C[C@@H]([NH3+])c1noc(Cn2cc([N+](=O)[O-])cn2)n1 ZINC000339386884 519236159 /nfs/dbraw/zinc/23/61/59/519236159.db2.gz DGYMDFAAKAUAHE-SECBINFHSA-N 1 0 280.288 1.269 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000067044961 522038914 /nfs/dbraw/zinc/03/89/14/522038914.db2.gz SIJPQXBEWOKSBE-LLVKDONJSA-N 1 0 295.314 1.900 20 5 CDBDRO C[NH2+][C@@H](C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000054074576 522322041 /nfs/dbraw/zinc/32/20/41/522322041.db2.gz HBJGKOADKGHKQV-BDAKNGLRSA-N 1 0 251.286 1.380 20 5 CDBDRO CNc1c(C(=O)NC[C@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000161461305 522540054 /nfs/dbraw/zinc/54/00/54/522540054.db2.gz GWBZWMAWORNUGD-VIFPVBQESA-N 1 0 280.328 1.316 20 5 CDBDRO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CCC1 ZINC000111297147 523218133 /nfs/dbraw/zinc/21/81/33/523218133.db2.gz JSBGMEFGLVJTCM-UHFFFAOYSA-N 1 0 277.324 1.926 20 5 CDBDRO COc1ccc(NC(=O)[C@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000157077222 524607544 /nfs/dbraw/zinc/60/75/44/524607544.db2.gz PVBTXPYSWIHZHR-SFYZADRCSA-N 1 0 267.285 1.525 20 5 CDBDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235671650 524930808 /nfs/dbraw/zinc/93/08/08/524930808.db2.gz AQNXCJJIPLGKIY-VHSXEESVSA-N 1 0 299.352 1.014 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000070172830 525021984 /nfs/dbraw/zinc/02/19/84/525021984.db2.gz NLPHXALZEHOCOF-BDAKNGLRSA-N 1 0 267.285 1.387 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2(CO)CCOCC2)cc1 ZINC000069247013 527373179 /nfs/dbraw/zinc/37/31/79/527373179.db2.gz WZESKCZOZHNXKI-UHFFFAOYSA-N 1 0 296.323 1.105 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)c1 ZINC000069137728 527386763 /nfs/dbraw/zinc/38/67/63/527386763.db2.gz DOOWXCOISHYOMT-NSHDSACASA-N 1 0 284.337 1.262 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000261694101 535971751 /nfs/dbraw/zinc/97/17/51/535971751.db2.gz HSSRKZMTYMTBLD-KOLCDFICSA-N 1 0 281.360 1.920 20 5 CDBDRO CN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000423943823 535977940 /nfs/dbraw/zinc/97/79/40/535977940.db2.gz GPHPQKXHGSOHCX-AWEZNQCLSA-N 1 0 291.351 1.723 20 5 CDBDRO COc1cc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)ccc1[N+](=O)[O-] ZINC000261595897 536500803 /nfs/dbraw/zinc/50/08/03/536500803.db2.gz IQEIJAFQWNSNAG-LBPRGKRZSA-N 1 0 295.339 1.707 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCCC[NH3+] ZINC000420236419 536587482 /nfs/dbraw/zinc/58/74/82/536587482.db2.gz PQLMNTBQIUGNLR-UHFFFAOYSA-N 1 0 281.312 1.841 20 5 CDBDRO COc1ccc(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000423717217 536808828 /nfs/dbraw/zinc/80/88/28/536808828.db2.gz ACVGAFLUMGFRHA-QMTHXVAHSA-N 1 0 291.307 1.542 20 5 CDBDRO O=C(CC[NH2+][C@H](CO)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000771806115 575615090 /nfs/dbraw/zinc/61/50/90/575615090.db2.gz IAYWQBPMTOJTCB-CYBMUJFWSA-N 1 0 293.323 1.284 20 5 CDBDRO C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000766184443 576084365 /nfs/dbraw/zinc/08/43/65/576084365.db2.gz PIPQNKCOZMHWRC-HZMBPMFUSA-N 1 0 290.323 1.713 20 5 CDBDRO COC[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000739868066 576391957 /nfs/dbraw/zinc/39/19/57/576391957.db2.gz DIVXXMKKUPGPTJ-LLVKDONJSA-N 1 0 290.323 1.870 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](Nc2c([N+](=O)[O-])cnn2C)C1 ZINC000892035227 617429092 /nfs/dbraw/zinc/42/90/92/617429092.db2.gz BKBUMFUNVPXTCG-SECBINFHSA-N 1 0 253.306 1.223 20 5 CDBDRO COc1c(O)ccc(CNCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000893319113 617565411 /nfs/dbraw/zinc/56/54/11/617565411.db2.gz FHUVJCANVMDEQE-UHFFFAOYSA-N 1 0 295.339 1.494 20 5 CDBDRO C[C@H]1C[C@@H](Nc2c([N+](=O)[O-])cnn2C)CC[N@@H+]1C ZINC000892674492 617581148 /nfs/dbraw/zinc/58/11/48/617581148.db2.gz WBWBOKZSYOUOPH-IUCAKERBSA-N 1 0 253.306 1.223 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CCO1 ZINC000128537490 618123842 /nfs/dbraw/zinc/12/38/42/618123842.db2.gz MPISHWJTBBKNKA-TVQRCGJNSA-N 1 0 283.303 1.282 20 5 CDBDRO COc1c(O)ccc(CNCC(C)(C)[NH+](C)C)c1[N+](=O)[O-] ZINC000892431932 618195186 /nfs/dbraw/zinc/19/51/86/618195186.db2.gz YXQZGHBGRJIYIN-UHFFFAOYSA-N 1 0 297.355 1.739 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2c1ccc([N+](=O)[O-])cn1 ZINC000895191268 619442267 /nfs/dbraw/zinc/44/22/67/619442267.db2.gz MHVDUHYDDNBXGO-CMPLNLGQSA-N 1 0 262.313 1.663 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+](C)C)c1C ZINC000895470459 619683024 /nfs/dbraw/zinc/68/30/24/619683024.db2.gz ZSUNXZBRNIKZOB-UHFFFAOYSA-N 1 0 265.313 1.503 20 5 CDBDRO C[N@@H+]1CC[C@H]1CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000895767380 619834269 /nfs/dbraw/zinc/83/42/69/619834269.db2.gz LZFUAKIRECLJSQ-VIFPVBQESA-N 1 0 269.276 1.342 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000899871001 622496110 /nfs/dbraw/zinc/49/61/10/622496110.db2.gz PXYRPDYEGYPWTD-UHFFFAOYSA-N 1 0 273.402 1.214 20 5 CDBDRO O=[N+]([O-])c1ccccc1-c1cc(CN2CC[NH2+]CC2)on1 ZINC000901396479 624220546 /nfs/dbraw/zinc/22/05/46/624220546.db2.gz TYRURVOLHMDUAU-UHFFFAOYSA-N 1 0 288.307 1.655 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCc1ccc(Br)cc1F ZINC000905102993 626621120 /nfs/dbraw/zinc/62/11/20/626621120.db2.gz WFTCSWHVMGMXBP-UHFFFAOYSA-N 1 0 291.120 1.997 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1SCCc2ccccc21 ZINC000905156551 626640245 /nfs/dbraw/zinc/64/02/45/626640245.db2.gz SWCMSIKPYWHEOT-GFCCVEGCSA-N 1 0 252.339 1.883 20 5 CDBDRO C[C@H]1[C@@H]([NH2+]CC[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000905259930 626710147 /nfs/dbraw/zinc/71/01/47/626710147.db2.gz IRRDQSVXBHWBSE-JSGCOSHPSA-N 1 0 263.341 1.516 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000905367766 626786208 /nfs/dbraw/zinc/78/62/08/626786208.db2.gz VCRQLSVGCKWKKY-QWHCGFSZSA-N 1 0 268.288 1.158 20 5 CDBDRO C[C@H]([NH2+][C@@H]1COC[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000905867809 627010567 /nfs/dbraw/zinc/01/05/67/627010567.db2.gz OPRKNLYNJCKGNI-GBIKHYSHSA-N 1 0 293.323 1.546 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911623374 629369879 /nfs/dbraw/zinc/36/98/79/629369879.db2.gz MGKJUMLLUFIPLT-SECBINFHSA-N 1 0 295.364 1.880 20 5 CDBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000911647052 629392340 /nfs/dbraw/zinc/39/23/40/629392340.db2.gz NIQQECBSQYYADL-CHWSQXEVSA-N 1 0 275.308 1.130 20 5 CDBDRO O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000911647053 629392666 /nfs/dbraw/zinc/39/26/66/629392666.db2.gz NIQQECBSQYYADL-OLZOCXBDSA-N 1 0 275.308 1.130 20 5 CDBDRO C[NH2+]CCCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911676828 629407986 /nfs/dbraw/zinc/40/79/86/629407986.db2.gz LTGSZIQDGWJHDK-STQMWFEESA-N 1 0 277.324 1.424 20 5 CDBDRO O=C(NCC[NH2+]C1CC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911752975 629471737 /nfs/dbraw/zinc/47/17/37/629471737.db2.gz VNCPFOFCSQCUBQ-UONOGXRCSA-N 1 0 289.335 1.567 20 5 CDBDRO C[NH+](C)C1(CNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000915090178 631648119 /nfs/dbraw/zinc/64/81/19/631648119.db2.gz SSLZMANCHLAMAE-UHFFFAOYSA-N 1 0 292.339 1.488 20 5 CDBDRO CC(=O)c1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000916741752 632070661 /nfs/dbraw/zinc/07/06/61/632070661.db2.gz KOGJZHHHKPYVRT-VXGBXAGGSA-N 1 0 275.308 1.453 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cnnn1C ZINC000866359188 685264212 /nfs/dbraw/zinc/26/42/12/685264212.db2.gz OEGQEHPLWORLQC-SECBINFHSA-N 1 0 293.302 1.583 20 5 CDBDRO C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000868010431 685306393 /nfs/dbraw/zinc/30/63/93/685306393.db2.gz UTWXBZDABJYZAC-NSHDSACASA-N 1 0 291.351 1.642 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2COCCO2)cc1Cl ZINC000783595833 685324594 /nfs/dbraw/zinc/32/45/94/685324594.db2.gz DOCBLRUFDCQKOM-SNVBAGLBSA-N 1 0 286.715 1.753 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2C[NH2+]CCO2)c1 ZINC000841098454 685338080 /nfs/dbraw/zinc/33/80/80/685338080.db2.gz FBNAMKUDCMACMO-LLVKDONJSA-N 1 0 285.731 1.326 20 5 CDBDRO CC1(C)[C@H](NCc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000883442043 685408213 /nfs/dbraw/zinc/40/82/13/685408213.db2.gz DDEJZJDGWMFWIW-NWDGAFQWSA-N 1 0 267.304 1.949 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCCCCCCC2)c1 ZINC000831932961 685424116 /nfs/dbraw/zinc/42/41/16/685424116.db2.gz OJMXGJUYRIWFNX-AWEZNQCLSA-N 1 0 296.371 1.808 20 5 CDBDRO C=Cn1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cn1 ZINC000809734896 685438511 /nfs/dbraw/zinc/43/85/11/685438511.db2.gz NLGUBTMPONRLIE-UHFFFAOYSA-N 1 0 287.323 1.857 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](O)C(F)(F)F)c1 ZINC000843062396 686610068 /nfs/dbraw/zinc/61/00/68/686610068.db2.gz IGGXSHQTYSSAEI-VHSXEESVSA-N 1 0 294.229 1.141 20 5 CDBDRO C[N@H+](C[C@@H]1CCOC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000176093005 685652304 /nfs/dbraw/zinc/65/23/04/685652304.db2.gz JMOQJRYNVPTYQS-NSHDSACASA-N 1 0 290.323 1.870 20 5 CDBDRO [NH3+][C@@H]1Cc2ccccc2N(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886839984 684327378 /nfs/dbraw/zinc/32/73/78/684327378.db2.gz QCJWZDNRFXKKBD-CYBMUJFWSA-N 1 0 284.319 1.880 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877187739 684331724 /nfs/dbraw/zinc/33/17/24/684331724.db2.gz FUVHUBDSSKWZIX-UHFFFAOYSA-N 1 0 289.335 1.999 20 5 CDBDRO CCc1nn(C)c(N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000091559554 684357815 /nfs/dbraw/zinc/35/78/15/684357815.db2.gz DNUNISHVIHPHLC-VHSXEESVSA-N 1 0 281.360 1.691 20 5 CDBDRO NC(=O)C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000808774964 684376260 /nfs/dbraw/zinc/37/62/60/684376260.db2.gz HSSRNIBXMJJWFO-VIFPVBQESA-N 1 0 297.742 1.946 20 5 CDBDRO CCOc1ccc(C(=O)N2CC[C@@](C)([NH3+])C2)cc1[N+](=O)[O-] ZINC000868073479 684476586 /nfs/dbraw/zinc/47/65/86/684476586.db2.gz NUVQPMJPVWESSA-CQSZACIVSA-N 1 0 293.323 1.557 20 5 CDBDRO Cc1c(CC(=O)N(C)C[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000877106313 684712845 /nfs/dbraw/zinc/71/28/45/684712845.db2.gz QOKNJNUSGXHSQB-VIFPVBQESA-N 1 0 265.313 1.251 20 5 CDBDRO CC(C)[N@@H+]1CCCC[C@H]1Cn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000840210013 684738521 /nfs/dbraw/zinc/73/85/21/684738521.db2.gz KOGWXEDRLONUFJ-JTQLQIEISA-N 1 0 297.315 1.962 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](CF)C1 ZINC000880236946 684799445 /nfs/dbraw/zinc/79/94/45/684799445.db2.gz MLXOPWVLGJEJOK-NSHDSACASA-N 1 0 283.303 1.438 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2C[NH2+]CCOC2)c1 ZINC000925581227 684802240 /nfs/dbraw/zinc/80/22/40/684802240.db2.gz QSNHISPLXRUZPX-SNVBAGLBSA-N 1 0 285.731 1.326 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC([NH2+]CCO)CC1 ZINC000866683275 684804491 /nfs/dbraw/zinc/80/44/91/684804491.db2.gz WFSQOTBQLDFDHH-UHFFFAOYSA-N 1 0 297.330 1.280 20 5 CDBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839676136 684849223 /nfs/dbraw/zinc/84/92/23/684849223.db2.gz UZLVVKCNPZAEKE-ZLDLUXBVSA-N 1 0 294.351 1.721 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889835682 684851422 /nfs/dbraw/zinc/85/14/22/684851422.db2.gz UXPRYIPYJXZAKR-UHFFFAOYSA-N 1 0 292.339 1.670 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000838149868 684852317 /nfs/dbraw/zinc/85/23/17/684852317.db2.gz QEALHNUTHOCCJN-LBPRGKRZSA-N 1 0 285.388 1.670 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CCO1 ZINC000128537055 684875522 /nfs/dbraw/zinc/87/55/22/684875522.db2.gz MPISHWJTBBKNKA-ZANVPECISA-N 1 0 283.303 1.282 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000886821923 684890532 /nfs/dbraw/zinc/89/05/32/684890532.db2.gz JSYXBIXPLOMFJX-YPMHNXCESA-N 1 0 280.328 1.292 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000054132588 684898446 /nfs/dbraw/zinc/89/84/46/684898446.db2.gz IQHVBLOALUVLNQ-UHFFFAOYSA-N 1 0 280.328 1.247 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCCC[C@@H]2CCO)cc1 ZINC000062350990 684955235 /nfs/dbraw/zinc/95/52/35/684955235.db2.gz QQOSCEATMZWJIW-UKRRQHHQSA-N 1 0 294.351 1.865 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886827800 685007687 /nfs/dbraw/zinc/00/76/87/685007687.db2.gz RQMMPHCHQXSUIO-JTQLQIEISA-N 1 0 250.302 1.031 20 5 CDBDRO C[C@@H](NC(=O)N[C@@H](C)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000922479253 685036144 /nfs/dbraw/zinc/03/61/44/685036144.db2.gz SNRLUTBMCONZTD-WDEREUQCSA-N 1 0 294.355 1.905 20 5 CDBDRO CCn1cc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000819305174 685089528 /nfs/dbraw/zinc/08/95/28/685089528.db2.gz HDOQBIRSNBLVQW-AWEZNQCLSA-N 1 0 290.323 1.634 20 5 CDBDRO CC(C)[N@@H+]1CCCC[C@@H]1Cn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000840210014 685094156 /nfs/dbraw/zinc/09/41/56/685094156.db2.gz KOGWXEDRLONUFJ-SNVBAGLBSA-N 1 0 297.315 1.962 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923357095 685751187 /nfs/dbraw/zinc/75/11/87/685751187.db2.gz WBBLLIAAKNHJSL-KBPBESRZSA-N 1 0 279.340 1.299 20 5 CDBDRO Cc1c(CC(=O)NC[C@H]2CC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000928560132 685768153 /nfs/dbraw/zinc/76/81/53/685768153.db2.gz SMEOTSYSUAUGFF-GFCCVEGCSA-N 1 0 277.324 1.266 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702065928 685804084 /nfs/dbraw/zinc/80/40/84/685804084.db2.gz LWSSRCDQRFYLKJ-SNVBAGLBSA-N 1 0 285.731 1.961 20 5 CDBDRO O=C1NCCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839195343 685869222 /nfs/dbraw/zinc/86/92/22/685869222.db2.gz HDYPYZQXUFIBNZ-VIFPVBQESA-N 1 0 297.742 1.864 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CCC[NH2+]1)CC2 ZINC000818608501 685925678 /nfs/dbraw/zinc/92/56/78/685925678.db2.gz FYAODHMCIRBXNP-NSHDSACASA-N 1 0 275.308 1.544 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000704349943 685941054 /nfs/dbraw/zinc/94/10/54/685941054.db2.gz IAAQTHFYOQWGJR-MRVPVSSYSA-N 1 0 285.731 1.976 20 5 CDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C2 ZINC000857008596 685958616 /nfs/dbraw/zinc/95/86/16/685958616.db2.gz NRFXAHVRHNGADF-LKFCYVNXSA-N 1 0 293.298 1.687 20 5 CDBDRO C[C@@H]([NH2+]CCC1(CO)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834896223 685968983 /nfs/dbraw/zinc/96/89/83/685968983.db2.gz HRMXLYYTXDAQIQ-SNVBAGLBSA-N 1 0 279.340 1.990 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC000133799673 685981475 /nfs/dbraw/zinc/98/14/75/685981475.db2.gz GJYQVNDHDYKPNN-JTQLQIEISA-N 1 0 292.339 1.309 20 5 CDBDRO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000776582938 686023148 /nfs/dbraw/zinc/02/31/48/686023148.db2.gz DKUJOACPYSNVED-ZDUSSCGKSA-N 1 0 282.340 1.721 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765038 686063794 /nfs/dbraw/zinc/06/37/94/686063794.db2.gz IUMXCNSQARNYLD-SSDOTTSWSA-N 1 0 289.238 1.030 20 5 CDBDRO CCc1cc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)on1 ZINC000819094220 686064043 /nfs/dbraw/zinc/06/40/43/686064043.db2.gz ILLCLIHTUUYMAP-AWEZNQCLSA-N 1 0 291.307 1.968 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702065927 686197869 /nfs/dbraw/zinc/19/78/69/686197869.db2.gz LWSSRCDQRFYLKJ-JTQLQIEISA-N 1 0 285.731 1.961 20 5 CDBDRO C[C@@]1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000819060661 686493531 /nfs/dbraw/zinc/49/35/31/686493531.db2.gz KHVUECCSQQXHRG-KGLIPLIRSA-N 1 0 280.324 1.644 20 5 CDBDRO [NH3+][C@H]1C[C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000715147335 686577999 /nfs/dbraw/zinc/57/79/99/686577999.db2.gz UYEFODHCKGSQGT-XWEPSHTISA-N 1 0 267.260 1.201 20 5 CDBDRO O=[N+]([O-])c1ccnn1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000172512026 686769714 /nfs/dbraw/zinc/76/97/14/686769714.db2.gz OHJWDQXYHYQBCX-UHFFFAOYSA-N 1 0 293.371 1.699 20 5 CDBDRO CC(C)([NH3+])CCc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000843170027 686847762 /nfs/dbraw/zinc/84/77/62/686847762.db2.gz YFGBZDDWMHSHJE-UHFFFAOYSA-N 1 0 291.311 1.897 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000262493013 686876332 /nfs/dbraw/zinc/87/63/32/686876332.db2.gz VNFIELCMGSZUSZ-LLVKDONJSA-N 1 0 295.339 1.478 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@]1(C)CC[NH2+]C1)CC2 ZINC000818608605 687150068 /nfs/dbraw/zinc/15/00/68/687150068.db2.gz IZWPAOCUICVXFL-OAHLLOKOSA-N 1 0 289.335 1.792 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000090360256 687186596 /nfs/dbraw/zinc/18/65/96/687186596.db2.gz XDCCLPBDLGXOIU-QWRGUYRKSA-N 1 0 292.295 1.154 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818017421 687365501 /nfs/dbraw/zinc/36/55/01/687365501.db2.gz HFPBNHOTCDQYEN-OAHLLOKOSA-N 1 0 289.335 1.871 20 5 CDBDRO CO[C@@H](C)[C@@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819324209 687629516 /nfs/dbraw/zinc/62/95/16/687629516.db2.gz VXYKMGJEUAXMJA-NRUUGDAUSA-N 1 0 268.313 1.641 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH3+])C2)c1 ZINC000134354877 687642704 /nfs/dbraw/zinc/64/27/04/687642704.db2.gz BJSHPJSPILJCSQ-JTQLQIEISA-N 1 0 279.296 1.309 20 5 CDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000715114426 687662664 /nfs/dbraw/zinc/66/26/64/687662664.db2.gz RELWRBSJOOWKAO-OCAPTIKFSA-N 1 0 283.715 1.715 20 5 CDBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000884355200 687673034 /nfs/dbraw/zinc/67/30/34/687673034.db2.gz IKVAEIPWPWYOJR-OLZOCXBDSA-N 1 0 291.351 1.769 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H](CO)CC2)cc1 ZINC000815272746 687701080 /nfs/dbraw/zinc/70/10/80/687701080.db2.gz VWKZREXMNVFYDU-IUODEOHRSA-N 1 0 294.351 1.723 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCC[C@@H](O)C2)c1 ZINC000843068095 687787383 /nfs/dbraw/zinc/78/73/83/687787383.db2.gz DJDFCQSMYVPWTD-KCPJHIHWSA-N 1 0 294.351 1.769 20 5 CDBDRO CC[N@H+](C[C@@H](C)OC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000812909288 687794728 /nfs/dbraw/zinc/79/47/28/687794728.db2.gz VZYDRVPTBYYYOF-RISCZKNCSA-N 1 0 282.340 1.985 20 5 CDBDRO O=[N+]([O-])c1cnn(C[NH+](CC2CC2)CC2CC2)c1 ZINC000115514135 687816546 /nfs/dbraw/zinc/81/65/46/687816546.db2.gz JDKMXHOJMZIYDQ-UHFFFAOYSA-N 1 0 250.302 1.871 20 5 CDBDRO Cc1cc(NC(=O)N(C)C[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000859672874 687832692 /nfs/dbraw/zinc/83/26/92/687832692.db2.gz VBNONSWLSHHXKK-SECBINFHSA-N 1 0 266.301 1.714 20 5 CDBDRO C[NH2+]CCCc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000843233376 687866404 /nfs/dbraw/zinc/86/64/04/687866404.db2.gz IMRAAAWRSDVKDN-UHFFFAOYSA-N 1 0 256.306 1.210 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(CO)CC2)cc1 ZINC000776579349 687864321 /nfs/dbraw/zinc/86/43/21/687864321.db2.gz NSSOIDMRZIXWKD-CQSZACIVSA-N 1 0 280.324 1.333 20 5 CDBDRO [NH3+][C@H]1C[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000715110126 687884740 /nfs/dbraw/zinc/88/47/40/687884740.db2.gz POAUWGCMWZXBNW-XWEPSHTISA-N 1 0 283.715 1.715 20 5 CDBDRO C/C=C/C[C@H](CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843077034 687895478 /nfs/dbraw/zinc/89/54/78/687895478.db2.gz KQLCTZLFAZULJU-VJTBZZIASA-N 1 0 280.324 1.545 20 5 CDBDRO O=[N+]([O-])c1cccc(-c2noc(C[C@H]3C[NH2+]CCO3)n2)c1 ZINC000091294956 688000701 /nfs/dbraw/zinc/00/07/01/688000701.db2.gz BHTXCDYIIXWGLV-NSHDSACASA-N 1 0 290.279 1.176 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H]2CO)cc1 ZINC000776581396 688038025 /nfs/dbraw/zinc/03/80/25/688038025.db2.gz DGBMBZPQSGZUPQ-STQMWFEESA-N 1 0 266.297 1.085 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCC[C@@H]2CCO)c1 ZINC000062351222 688047880 /nfs/dbraw/zinc/04/78/80/688047880.db2.gz WSJQFUPXSPNJIQ-HIFRSBDPSA-N 1 0 294.351 1.865 20 5 CDBDRO C[NH+](C)C1(CNc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000842047057 688107324 /nfs/dbraw/zinc/10/73/24/688107324.db2.gz OVXDAMQIUJVJTK-UHFFFAOYSA-N 1 0 250.302 1.683 20 5 CDBDRO Cc1cc(N[C@H]2C[NH+]3CCC2CC3)ncc1[N+](=O)[O-] ZINC000092026738 1158923770 /nfs/dbraw/zinc/92/37/70/1158923770.db2.gz UOLXZKOYRFEJJM-NSHDSACASA-N 1 0 262.313 1.804 20 5 CDBDRO COc1ccc(C[C@H](C)n2nncc2C[NH3+])c([N+](=O)[O-])c1 ZINC001170305636 1162330156 /nfs/dbraw/zinc/33/01/56/1162330156.db2.gz OJPGDMDSFVHERG-VIFPVBQESA-N 1 0 291.311 1.457 20 5 CDBDRO COc1ccc(C[C@@H](C)n2nncc2C[NH3+])c([N+](=O)[O-])c1 ZINC001170305635 1162330178 /nfs/dbraw/zinc/33/01/78/1162330178.db2.gz OJPGDMDSFVHERG-SECBINFHSA-N 1 0 291.311 1.457 20 5 CDBDRO Cc1c(C)c(N2CCC[C@@H]([NH3+])[C@H]2C)ncc1[N+](=O)[O-] ZINC001157744831 1162385821 /nfs/dbraw/zinc/38/58/21/1162385821.db2.gz YMSDYQCKLCPDMK-GHMZBOCLSA-N 1 0 264.329 1.923 20 5 CDBDRO CCC1(Nc2ccc([N+](=O)[O-])c(OC)n2)C[NH2+]C1 ZINC001157779194 1162415859 /nfs/dbraw/zinc/41/58/59/1162415859.db2.gz JUVBSAQPOKLBQL-UHFFFAOYSA-N 1 0 252.274 1.162 20 5 CDBDRO COC(C)(CNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)OC ZINC001170438313 1162444905 /nfs/dbraw/zinc/44/49/05/1162444905.db2.gz ZIKCQVJZUQFRCH-UHFFFAOYSA-N 1 0 281.312 1.619 20 5 CDBDRO COc1cc(C)c([N+](=O)[O-])cc1NCCN(C)CC[NH3+] ZINC001170502777 1162665427 /nfs/dbraw/zinc/66/54/27/1162665427.db2.gz NICFPGORTIUVKN-UHFFFAOYSA-N 1 0 282.344 1.214 20 5 CDBDRO COc1cc(C)nc(N2C[C@@H](C)[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC001158176605 1162756911 /nfs/dbraw/zinc/75/69/11/1162756911.db2.gz NBPNGRCKXLRHBN-NXEZZACHSA-N 1 0 280.328 1.493 20 5 CDBDRO Cc1cc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)ncc1[N+](=O)[O-] ZINC001170566059 1162931499 /nfs/dbraw/zinc/93/14/99/1162931499.db2.gz DMOHFSGWEDHZLX-ONGXEEELSA-N 1 0 266.301 1.087 20 5 CDBDRO COc1nc(C)nc(NC2(C)CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001168182012 1160523179 /nfs/dbraw/zinc/52/31/79/1160523179.db2.gz IMPRVLXXQAKTQW-UHFFFAOYSA-N 1 0 281.316 1.256 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N(c1ncccn1)C1C[NH2+]C1 ZINC001155862911 1161978781 /nfs/dbraw/zinc/97/87/81/1161978781.db2.gz WGJIAWVQQOGAIX-UHFFFAOYSA-N 1 0 286.295 1.198 20 5 CDBDRO Cc1nccnc1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168998449 1161997020 /nfs/dbraw/zinc/99/70/20/1161997020.db2.gz NCTYOEFTHRVGIY-QWRGUYRKSA-N 1 0 250.302 1.320 20 5 CDBDRO COc1cc(C)[nH]c(=O)c1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168998250 1161997118 /nfs/dbraw/zinc/99/71/18/1161997118.db2.gz KMRIPHDYNMUGDS-WDEREUQCSA-N 1 0 295.339 1.639 20 5 CDBDRO [NH3+]Cc1cnn(-c2ccc(-c3ccccc3[N+](=O)[O-])nn2)c1 ZINC001157477865 1162110328 /nfs/dbraw/zinc/11/03/28/1162110328.db2.gz GZVXDZJUXKLUQC-UHFFFAOYSA-N 1 0 296.290 1.696 20 5 CDBDRO Cc1cc(=O)n(C[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000057836602 1167183381 /nfs/dbraw/zinc/18/33/81/1167183381.db2.gz OYQFHSDZQIYBMZ-JTQLQIEISA-N 1 0 251.286 1.065 20 5 CDBDRO Cc1c(C)c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)ncc1[N+](=O)[O-] ZINC001155483006 1167191130 /nfs/dbraw/zinc/19/11/30/1167191130.db2.gz GIDHITJUKGTOSA-NQBHXWOUSA-N 1 0 292.339 1.253 20 5 CDBDRO O=[N+]([O-])c1cccc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)n1 ZINC001155523366 1167212682 /nfs/dbraw/zinc/21/26/82/1167212682.db2.gz PRXWGVHSWSUMDR-GMTAPVOTSA-N 1 0 278.312 1.026 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC001579242631 1172124654 /nfs/dbraw/zinc/12/46/54/1172124654.db2.gz UYDZQCSKWLJOJG-IUCAKERBSA-N 1 0 294.311 1.557 20 5 CDBDRO Cc1c(NC(=O)C[C@]2(O)CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC001579540389 1172209058 /nfs/dbraw/zinc/20/90/58/1172209058.db2.gz TWPOFGXYALVZBN-CQSZACIVSA-N 1 0 293.323 1.346 20 5 CDBDRO Cn1cc([N+](=O)[O-])c(N2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC001579970154 1172312376 /nfs/dbraw/zinc/31/23/76/1172312376.db2.gz PYGRPMXRPHQNTD-LLVKDONJSA-N 1 0 279.344 1.154 20 5 CDBDRO [NH3+][C@@H]1C[C@@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001580398589 1172424166 /nfs/dbraw/zinc/42/41/66/1172424166.db2.gz HXMNJAMGSIMUFC-VHSXEESVSA-N 1 0 287.279 1.271 20 5 CDBDRO O=C(NC1CC[NH2+]CC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001580613934 1172483812 /nfs/dbraw/zinc/48/38/12/1172483812.db2.gz SCECRPDEWCUNOS-UONOGXRCSA-N 1 0 289.335 1.567 20 5 CDBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C(F)F ZINC001753165782 1182222439 /nfs/dbraw/zinc/22/24/39/1182222439.db2.gz SXZMRSAHOIYFIP-UHFFFAOYSA-N 1 0 287.266 1.408 20 5 CDBDRO CO[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000300582131 1186385523 /nfs/dbraw/zinc/38/55/23/1186385523.db2.gz AODSRHXPMMZDHJ-YUTCNCBUSA-N 1 0 280.324 1.785 20 5 CDBDRO Nc1cc(N2CC[NH+](C3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC001165027917 721856979 /nfs/dbraw/zinc/85/69/79/721856979.db2.gz CFQWFGBLDQGZMX-UHFFFAOYSA-N 1 0 291.355 1.637 20 5 CDBDRO Cc1nc(Cl)nc(N2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000234259086 721885658 /nfs/dbraw/zinc/88/56/58/721885658.db2.gz OHUIHSRIGUJIIM-SECBINFHSA-N 1 0 299.762 1.877 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2CN(C)C2)c1F ZINC001173175263 912279987 /nfs/dbraw/zinc/27/99/87/912279987.db2.gz BGFHDBHGVPNYLP-VIFPVBQESA-N 1 0 297.330 1.577 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC([NH3+])C2)c1F ZINC001173176376 912283149 /nfs/dbraw/zinc/28/31/49/912283149.db2.gz GWIBTLCXVJGLER-MRVPVSSYSA-N 1 0 283.303 1.316 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](CO)C1 ZINC001173226825 912319833 /nfs/dbraw/zinc/31/98/33/912319833.db2.gz LUUYRFIUOPRREA-WCQYABFASA-N 1 0 264.325 1.840 20 5 CDBDRO O=C(CC1CCC1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001125270882 893948506 /nfs/dbraw/zinc/94/85/06/893948506.db2.gz UDMLBXZIRBYABH-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1-n1ccc2cc(C[NH3+])cnc21 ZINC001167311496 895216927 /nfs/dbraw/zinc/21/69/27/895216927.db2.gz NNGBBKGMTULBRT-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO [NH3+]Cc1cnc2c(ccn2-c2ncccc2[N+](=O)[O-])c1 ZINC001167311456 895218154 /nfs/dbraw/zinc/21/81/54/895218154.db2.gz MHCWRQYQVLKOFK-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO [NH3+]Cc1cccn1-c1cc([N+](=O)[O-])c2nccn2c1 ZINC001167593011 896945696 /nfs/dbraw/zinc/94/56/96/896945696.db2.gz HKPLSRKBMUZFHD-UHFFFAOYSA-N 1 0 257.253 1.492 20 5 CDBDRO [NH3+]Cc1cccn1-c1nc(Cl)ccc1[N+](=O)[O-] ZINC001167593240 896950012 /nfs/dbraw/zinc/95/00/12/896950012.db2.gz OAFFAESFLRGOSD-UHFFFAOYSA-N 1 0 252.661 1.893 20 5 CDBDRO CC(=O)Nc1ccc(NC(=N)SCC[NH3+])cc1[N+](=O)[O-] ZINC001167912723 897130565 /nfs/dbraw/zinc/13/05/65/897130565.db2.gz RIKNZEHEFZHVRX-UHFFFAOYSA-N 1 0 297.340 1.592 20 5 CDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1NCC[NH2+]C ZINC001167724538 899395353 /nfs/dbraw/zinc/39/53/53/899395353.db2.gz PHDRJKXRSFATKH-UHFFFAOYSA-N 1 0 267.285 1.403 20 5 CDBDRO C[C@H]1COC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000692682813 899852321 /nfs/dbraw/zinc/85/23/21/899852321.db2.gz ZZVRQUHHFOAJPW-KWQFWETISA-N 1 0 254.261 1.858 20 5 CDBDRO Cc1cc(N)nc(N(C)CCc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000893715881 901972947 /nfs/dbraw/zinc/97/29/47/901972947.db2.gz BCAZEQSZXNHBKI-UHFFFAOYSA-N 1 0 287.323 1.954 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cncc(Cl)c1 ZINC001225286726 902659879 /nfs/dbraw/zinc/65/98/79/902659879.db2.gz LDOIQHYRYVJQGW-SNVBAGLBSA-N 1 0 273.740 1.098 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(Cl)cc1F ZINC001225717335 904010274 /nfs/dbraw/zinc/01/02/74/904010274.db2.gz NIWZQPCCKBHNIE-SNVBAGLBSA-N 1 0 290.742 1.842 20 5 CDBDRO CC[N@@H+]1CCC[C@H](Oc2ncncc2[N+](=O)[O-])C1 ZINC001228655043 907536174 /nfs/dbraw/zinc/53/61/74/907536174.db2.gz OYYBMZBYFAJWMS-VIFPVBQESA-N 1 0 252.274 1.248 20 5 CDBDRO [NH3+]Cc1cnn(-c2cc3cccnc3c([N+](=O)[O-])c2)c1 ZINC001168259007 908006451 /nfs/dbraw/zinc/00/64/51/908006451.db2.gz IXPOSUKRUMOYFS-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO CCOC(=O)c1ccc(-n2cc(C[NH3+])cn2)c([N+](=O)[O-])c1 ZINC001168259612 908009186 /nfs/dbraw/zinc/00/91/86/908009186.db2.gz RLPLNINFKVAMLU-UHFFFAOYSA-N 1 0 290.279 1.416 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCN1C ZINC000922573454 921677908 /nfs/dbraw/zinc/67/79/08/921677908.db2.gz AQUBOKVQBDGRTD-CYBMUJFWSA-N 1 0 279.340 1.787 20 5 CDBDRO Cc1cccc(CN2CC[C@H]([NH2+]CC[N+](=O)[O-])C2)c1 ZINC001120524498 912037948 /nfs/dbraw/zinc/03/79/48/912037948.db2.gz KSUGTGYVFOINFJ-AWEZNQCLSA-N 1 0 263.341 1.436 20 5 CDBDRO CC[C@H](CO)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254564852 936407716 /nfs/dbraw/zinc/40/77/16/936407716.db2.gz AXPCQJQPIRUZTJ-VXGBXAGGSA-N 1 0 250.298 1.423 20 5 CDBDRO COc1cccc(NC(=[NH2+])N2CCN(C)CC2)c1[N+](=O)[O-] ZINC001168736794 921885332 /nfs/dbraw/zinc/88/53/32/921885332.db2.gz KLRVRGMHRHUUSO-UHFFFAOYSA-N 1 0 293.327 1.197 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702057400 922464893 /nfs/dbraw/zinc/46/48/93/922464893.db2.gz UYELXVQYQNENEL-SECBINFHSA-N 1 0 283.715 1.730 20 5 CDBDRO COc1ccnc(NCC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC001168764044 924071414 /nfs/dbraw/zinc/07/14/14/924071414.db2.gz NXANPZPDWNJWRN-UHFFFAOYSA-N 1 0 282.344 1.998 20 5 CDBDRO COc1cnc(N[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC001163771651 924168669 /nfs/dbraw/zinc/16/86/69/924168669.db2.gz DVTBXUMKELZYHL-QMMMGPOBSA-N 1 0 254.290 1.360 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2CC[NH3+])c1 ZINC001166382792 925071907 /nfs/dbraw/zinc/07/19/07/925071907.db2.gz JOKSBJVOQOIGDV-UHFFFAOYSA-N 1 0 290.279 1.068 20 5 CDBDRO O=[N+]([O-])c1cnc(NCC2C[NH+](Cc3ccccc3)C2)nc1 ZINC000716221026 925929922 /nfs/dbraw/zinc/92/99/22/925929922.db2.gz JDHVRHBEEGJMPI-UHFFFAOYSA-N 1 0 299.334 1.929 20 5 CDBDRO COc1ncnc(NC[C@@H]2CCC[NH2+]C[C@H]2C)c1[N+](=O)[O-] ZINC001155026540 926426822 /nfs/dbraw/zinc/42/68/22/926426822.db2.gz ULZUBOOBZNSHDM-ZJUUUORDSA-N 1 0 295.343 1.441 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC001168976291 927562933 /nfs/dbraw/zinc/56/29/33/927562933.db2.gz CJARPENLTNUREW-ZIAGYGMSSA-N 1 0 298.383 1.955 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(O)cc2)C1 ZINC001168976202 927563691 /nfs/dbraw/zinc/56/36/91/927563691.db2.gz ZJGPATLIBVDTPJ-QKCSRTOESA-N 1 0 280.324 1.461 20 5 CDBDRO NC(=O)c1cccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168978303 927565902 /nfs/dbraw/zinc/56/59/02/927565902.db2.gz QZAKGRMLSGVTKT-WCQYABFASA-N 1 0 277.324 1.321 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CCC3(CC2)OCCO3)C1 ZINC001168981152 927569141 /nfs/dbraw/zinc/56/91/41/927569141.db2.gz GNIJBTKWCAGQMX-AAEUAGOBSA-N 1 0 284.356 1.707 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ncc(F)cn1 ZINC001168985117 927573140 /nfs/dbraw/zinc/57/31/40/927573140.db2.gz DDFAGJMOQDHSSY-WCABBAIRSA-N 1 0 268.292 1.712 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CCC(CCO)CC2)C1 ZINC001168984971 927573581 /nfs/dbraw/zinc/57/35/81/927573581.db2.gz BXSXXWXPLXMVMT-YIOUJQMASA-N 1 0 270.373 1.963 20 5 CDBDRO Cc1nc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c(C)o1 ZINC001168959039 927580069 /nfs/dbraw/zinc/58/00/69/927580069.db2.gz SQTDZOCBDJKVHU-MNOVXSKESA-N 1 0 253.302 1.826 20 5 CDBDRO [NH3+][C@@H]1Cc2ccccc2N([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168962369 927584176 /nfs/dbraw/zinc/58/41/76/927584176.db2.gz LXPASIRKXNSVSX-BNOWGMLFSA-N 1 0 275.352 1.822 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ncc(F)cn2)C1 ZINC001168964516 927586691 /nfs/dbraw/zinc/58/66/91/927586691.db2.gz ULVJYNANXXKMGG-WPRPVWTQSA-N 1 0 254.265 1.151 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001168968769 927591467 /nfs/dbraw/zinc/59/14/67/927591467.db2.gz AIOZTKCSDMJQNT-ZYHUDNBSSA-N 1 0 265.313 1.625 20 5 CDBDRO NC(=[NH2+])N(c1ccc(F)cc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168969888 927592620 /nfs/dbraw/zinc/59/26/20/927592620.db2.gz GFKQDHUFKMFSST-CABZTGNLSA-N 1 0 280.303 1.971 20 5 CDBDRO COc1ccc(CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001168972521 927596314 /nfs/dbraw/zinc/59/63/14/927596314.db2.gz ABTFDRFUUNEZJA-QWHCGFSZSA-N 1 0 279.340 1.668 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(c3ccncn3)C2)C1 ZINC001168992433 927600268 /nfs/dbraw/zinc/60/02/68/927600268.db2.gz JWBQOBMOUWPPDV-FRRDWIJNSA-N 1 0 291.355 1.090 20 5 CDBDRO COCC1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168993585 927601473 /nfs/dbraw/zinc/60/14/73/927601473.db2.gz NKZORWBUILDLSQ-NWDGAFQWSA-N 1 0 272.345 1.217 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccn(CCF)n2)C1 ZINC001168995828 927602436 /nfs/dbraw/zinc/60/24/36/927602436.db2.gz TYQZGFLUMJKLSS-MNOVXSKESA-N 1 0 270.308 1.388 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cnc(Cl)cn2)C1 ZINC001169001932 927605184 /nfs/dbraw/zinc/60/51/84/927605184.db2.gz IQHGSCNGOAGPDR-RKDXNWHRSA-N 1 0 270.720 1.665 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2C[C@H](F)C[C@@H](CO)C2)C1 ZINC001169006005 927608999 /nfs/dbraw/zinc/60/89/99/927608999.db2.gz FDNANJPNVGNLMU-KKOKHZNYSA-N 1 0 260.309 1.084 20 5 CDBDRO C[N@H+](CC1CCOCC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169010036 927614335 /nfs/dbraw/zinc/61/43/35/927614335.db2.gz AJYFIYPOKDNIHM-QWHCGFSZSA-N 1 0 256.346 1.790 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@]3(CCOC3)C2)C1 ZINC001169010611 927616480 /nfs/dbraw/zinc/61/64/80/927616480.db2.gz FDPYJUQYZAYGMO-MCIONIFRSA-N 1 0 268.357 1.934 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCCC3(COC3)C2)C1 ZINC001169012551 927619589 /nfs/dbraw/zinc/61/95/89/927619589.db2.gz RAQPCCLJYVVTMD-RYUDHWBXSA-N 1 0 254.330 1.544 20 5 CDBDRO CCOC(=O)C(C)(C)C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168988229 927624110 /nfs/dbraw/zinc/62/41/10/927624110.db2.gz PJNADCOUVKDSGY-MNOVXSKESA-N 1 0 272.345 1.611 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCN2CCC[C@H](F)C2)C1 ZINC001168990251 927629175 /nfs/dbraw/zinc/62/91/75/927629175.db2.gz ZBMZTXPNRGHWEE-AGIUHOORSA-N 1 0 273.352 1.455 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2c(C)cnc2C[NH3+])c1 ZINC001169029140 927636085 /nfs/dbraw/zinc/63/60/85/927636085.db2.gz MDZMMXNNOTYDSV-UHFFFAOYSA-N 1 0 290.279 1.334 20 5 CDBDRO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035787 927643843 /nfs/dbraw/zinc/64/38/43/927643843.db2.gz CHTKHZXAXONUSS-CYDGBPFRSA-N 1 0 286.372 1.951 20 5 CDBDRO N=c1sc2c(n1[C@H]1CC[C@H](C[N+](=O)[O-])C1)CC[NH2+]C2 ZINC001169035927 927643891 /nfs/dbraw/zinc/64/38/91/927643891.db2.gz MGNCBJWUCFQXON-IUCAKERBSA-N 1 0 282.369 1.293 20 5 CDBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036514 927644345 /nfs/dbraw/zinc/64/43/45/927644345.db2.gz GHPIIHXTQFQFOX-SRVKXCTJSA-N 1 0 256.346 1.667 20 5 CDBDRO COC(=O)CC[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169037524 927646745 /nfs/dbraw/zinc/64/67/45/927646745.db2.gz SBJLCBZMCRIBQN-AGIUHOORSA-N 1 0 284.356 1.707 20 5 CDBDRO CC(=O)[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039103 927649954 /nfs/dbraw/zinc/64/99/54/927649954.db2.gz NBNCSICQZRUVLF-AVGNSLFASA-N 1 0 254.330 1.875 20 5 CDBDRO Cc1noc([C@@H]2CCC[N@@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001169039249 927650051 /nfs/dbraw/zinc/65/00/51/927650051.db2.gz OPONELLQOCUNIQ-TUAOUCFPSA-N 1 0 280.328 1.960 20 5 CDBDRO CCOC(=O)[C@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169042131 927656791 /nfs/dbraw/zinc/65/67/91/927656791.db2.gz CZFWEROHJHMMQO-WOPDTQHZSA-N 1 0 270.329 1.317 20 5 CDBDRO O=C1CC[C@]2(CCC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)O1 ZINC001169044817 927657454 /nfs/dbraw/zinc/65/74/54/927657454.db2.gz IYQWWZJJRLTGOV-OBJOEFQTSA-N 1 0 282.340 1.603 20 5 CDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC(=O)O1 ZINC000852019341 927690035 /nfs/dbraw/zinc/69/00/35/927690035.db2.gz YJKVSWSUVRIKFB-ZDUSSCGKSA-N 1 0 278.308 1.775 20 5 CDBDRO [NH3+]CCON=c1ccc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001156294668 927948814 /nfs/dbraw/zinc/94/88/14/927948814.db2.gz QEUZJKBBGGFBPH-UHFFFAOYSA-N 1 0 275.268 1.354 20 5 CDBDRO C[NH+](C)CCC(C)(C)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC001169711339 928365203 /nfs/dbraw/zinc/36/52/03/928365203.db2.gz JSYRBZOOQZYVDG-UHFFFAOYSA-N 1 0 295.343 1.231 20 5 CDBDRO [NH3+]Cc1ccn(-c2ncnc3cc(F)c([N+](=O)[O-])cc32)c1 ZINC001169722985 928378625 /nfs/dbraw/zinc/37/86/25/928378625.db2.gz JOYDWMKQSSFOGZ-UHFFFAOYSA-N 1 0 287.254 1.927 20 5 CDBDRO CC(C)(C)c1cnc(NC[C@@H]2COCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001170035632 929092517 /nfs/dbraw/zinc/09/25/17/929092517.db2.gz NLBYLYWULFQAFF-LLVKDONJSA-N 1 0 294.355 1.688 20 5 CDBDRO CC(C)[N@H+](C)CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116136336 937432790 /nfs/dbraw/zinc/43/27/90/937432790.db2.gz YDKNCEBBVGRTAQ-UHFFFAOYSA-N 1 0 277.324 1.777 20 5 CDBDRO CC(C)(C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001116242510 937437989 /nfs/dbraw/zinc/43/79/89/937437989.db2.gz QTGTXKRGNIQIME-UHFFFAOYSA-N 1 0 291.351 1.868 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1cc(Cl)ncc1[N+](=O)[O-] ZINC001159743996 930792843 /nfs/dbraw/zinc/79/28/43/930792843.db2.gz PKLUWNWKSPBASV-SECBINFHSA-N 1 0 260.681 1.112 20 5 CDBDRO O=C(N[C@H]1CC[NH2+]C1)c1cccc2nc3ccccc3nc21 ZINC001153871854 937479351 /nfs/dbraw/zinc/47/93/51/937479351.db2.gz WGRVAYMHTFSWMP-NSHDSACASA-N 1 0 292.342 1.875 20 5 CDBDRO [NH3+][C@H]1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1F ZINC001246526281 931585192 /nfs/dbraw/zinc/58/51/92/931585192.db2.gz AFMYCBJNJSHOAW-UPJWGTAASA-N 1 0 265.288 1.043 20 5 CDBDRO CN(C)c1ccc(NCC(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC001171193282 931853720 /nfs/dbraw/zinc/85/37/20/931853720.db2.gz WTTNDFCEMWQIAV-UHFFFAOYSA-N 1 0 252.318 1.810 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C/C=C\C1CC1 ZINC001118156121 937596925 /nfs/dbraw/zinc/59/69/25/937596925.db2.gz QZACFGVBZLNUIF-DHCBQETCSA-N 1 0 292.335 1.890 20 5 CDBDRO [NH3+]Cc1cn(-c2cnc3ccc([N+](=O)[O-])cc3n2)cn1 ZINC001154906646 937602914 /nfs/dbraw/zinc/60/29/14/937602914.db2.gz LWJMQVFOEUCWPT-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO COc1cnc(N[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001154986334 937616834 /nfs/dbraw/zinc/61/68/34/937616834.db2.gz RJZOQIFIPCTUED-IUCAKERBSA-N 1 0 266.301 1.680 20 5 CDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCCF)cc1 ZINC001120495674 937803850 /nfs/dbraw/zinc/80/38/50/937803850.db2.gz RPYSBUXJANCRNB-UHFFFAOYSA-N 1 0 290.316 1.318 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@H]1CCCC[N@@H+]1C ZINC001120972281 937850759 /nfs/dbraw/zinc/85/07/59/937850759.db2.gz PRCNUQAQCABDAG-SNVBAGLBSA-N 1 0 280.328 1.895 20 5 CDBDRO [NH2+]=C(NCCCC[NH3+])Nc1cc(Cl)ncc1[N+](=O)[O-] ZINC001157093448 938453061 /nfs/dbraw/zinc/45/30/61/938453061.db2.gz AVNPIHBKEREOIK-UHFFFAOYSA-N 1 0 286.723 1.318 20 5 CDBDRO COc1cc(NC(=N)SCC[NH3+])ncc1[N+](=O)[O-] ZINC001157128546 938457362 /nfs/dbraw/zinc/45/73/62/938457362.db2.gz PZKBMBWCRVGDME-UHFFFAOYSA-N 1 0 271.302 1.037 20 5 CDBDRO COc1cc(N2C[C@H]3CCC[N@H+](C)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001157266648 938472666 /nfs/dbraw/zinc/47/26/66/938472666.db2.gz VRSGURSMRGHPQM-PWSUYJOCSA-N 1 0 292.339 1.529 20 5 CDBDRO CCC[NH+]1C[C@H]2CN(c3cc([N+](=O)[O-])ccn3)C[C@@H]2C1 ZINC001157689379 938532151 /nfs/dbraw/zinc/53/21/51/938532151.db2.gz MZURCRYMXQDSAY-RYUDHWBXSA-N 1 0 276.340 1.768 20 5 CDBDRO CCC[NH+]1C[C@@H]2CN(c3ccc([N+](=O)[O-])c(N)n3)C[C@H]2C1 ZINC001157691319 938532697 /nfs/dbraw/zinc/53/26/97/938532697.db2.gz IJQYLZVDDPOSNE-GHMZBOCLSA-N 1 0 291.355 1.350 20 5 CDBDRO Nc1cc(-n2ncc3c2cccc3C[NH3+])ncc1[N+](=O)[O-] ZINC001158311514 938608158 /nfs/dbraw/zinc/60/81/58/938608158.db2.gz WFADCYYOONMCJU-UHFFFAOYSA-N 1 0 284.279 1.370 20 5 CDBDRO CC(C)[N@@H+]1CCN(c2cccc([N+](=O)[O-])n2)C[C@@H]1C ZINC001158494130 938629907 /nfs/dbraw/zinc/62/99/07/938629907.db2.gz CUUREQKTQUXVPG-NSHDSACASA-N 1 0 264.329 1.909 20 5 CDBDRO O=[N+]([O-])c1ccc2ncc(N3CC[NH2+]C4(CC4)C3)nc2c1 ZINC001158933631 938680263 /nfs/dbraw/zinc/68/02/63/938680263.db2.gz QJOVPKVQBXEUMI-UHFFFAOYSA-N 1 0 285.307 1.480 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC3(C2)CCC[NH2+]C3)c(F)c1 ZINC001159019377 938691349 /nfs/dbraw/zinc/69/13/49/938691349.db2.gz ICXBSBJDNJYCOR-UHFFFAOYSA-N 1 0 266.276 1.319 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CCC2(C[NH2+]C2)CC1 ZINC001159039730 938694772 /nfs/dbraw/zinc/69/47/72/938694772.db2.gz LFQXGQBAUDYSBZ-UHFFFAOYSA-N 1 0 283.719 1.228 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(NC[C@@H]2COCC[NH2+]2)n1 ZINC001159043971 938696262 /nfs/dbraw/zinc/69/62/62/938696262.db2.gz ZPBVXNIAUJUMEQ-MRVPVSSYSA-N 1 0 286.719 1.352 20 5 CDBDRO CN(c1ncnc2cccc([N+](=O)[O-])c21)C(C)(C)C[NH3+] ZINC001159059576 938698629 /nfs/dbraw/zinc/69/86/29/938698629.db2.gz IVAUILRZDYXMJK-UHFFFAOYSA-N 1 0 275.312 1.712 20 5 CDBDRO O=C(NCCC1=CC[N@H+](CC2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160097894 938768751 /nfs/dbraw/zinc/76/87/51/938768751.db2.gz ORVDGPLHYTXTFJ-ZIAGYGMSSA-N 1 0 293.367 1.200 20 5 CDBDRO COc1cnc(Nc2ccc(C[NH3+])nc2)c([N+](=O)[O-])c1 ZINC001160402175 938784365 /nfs/dbraw/zinc/78/43/65/938784365.db2.gz MRFUOYCHMYTJHA-UHFFFAOYSA-N 1 0 275.268 1.596 20 5 CDBDRO CC(C)(C)CNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001161639603 938916610 /nfs/dbraw/zinc/91/66/10/938916610.db2.gz XDJAIIZAZHFFMO-UHFFFAOYSA-N 1 0 265.317 1.530 20 5 CDBDRO COC(=O)c1ccc(C[NH3+])n1-c1cccc([N+](=O)[O-])n1 ZINC001161935294 938944668 /nfs/dbraw/zinc/94/46/68/938944668.db2.gz WOJOQWCZOWHHSK-UHFFFAOYSA-N 1 0 276.252 1.026 20 5 CDBDRO O=[N+]([O-])c1cc2c(nc1NC[C@@H]1C[C@H](F)C[NH2+]1)CCCC2 ZINC001162475781 939064102 /nfs/dbraw/zinc/06/41/02/939064102.db2.gz FHSCJZDSCOGANS-QWRGUYRKSA-N 1 0 294.330 1.981 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1C=C[C@H]2C[NH2+]C[C@@H]21 ZINC001162791061 939140514 /nfs/dbraw/zinc/14/05/14/939140514.db2.gz YMVVUWGSCPDJKB-UJNFCWOMSA-N 1 0 280.715 1.829 20 5 CDBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163203298 939224729 /nfs/dbraw/zinc/22/47/29/939224729.db2.gz HIXHOEZWLQDSQU-AMIZOPFISA-N 1 0 289.295 1.014 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1ccc2ncc([N+](=O)[O-])n2c1 ZINC001163985365 939371991 /nfs/dbraw/zinc/37/19/91/939371991.db2.gz NVZRFHSZDGFYLW-UHFFFAOYSA-N 1 0 272.268 1.195 20 5 CDBDRO Cc1nc(Cl)nc(N2C[C@@H](C)CC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC001164062652 939403158 /nfs/dbraw/zinc/40/31/58/939403158.db2.gz MRXKJSCHHWEBFO-CBAPKCEASA-N 1 0 299.762 1.910 20 5 CDBDRO C[C@H]1CC[C@H](C[NH3+])N(c2cccc([N+](=O)[O-])n2)C1 ZINC001164070954 939404989 /nfs/dbraw/zinc/40/49/89/939404989.db2.gz QVMQHXNAMGDZTI-VHSXEESVSA-N 1 0 250.302 1.553 20 5 CDBDRO COc1nc(C)nc(N(CCC[NH3+])C(C)C)c1[N+](=O)[O-] ZINC001164122437 939413442 /nfs/dbraw/zinc/41/34/42/939413442.db2.gz HWBYCYYYNKFULQ-UHFFFAOYSA-N 1 0 283.332 1.265 20 5 CDBDRO O=[N+]([O-])c1cccc2nc(-n3cnc4c3C[NH2+]CC4)ccc21 ZINC001164313221 939452144 /nfs/dbraw/zinc/45/21/44/939452144.db2.gz BIDQWMVADMFIRD-UHFFFAOYSA-N 1 0 295.302 1.974 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NOCC[NH3+] ZINC001164438789 939473415 /nfs/dbraw/zinc/47/34/15/939473415.db2.gz IESYIVKMLFVZPU-UHFFFAOYSA-N 1 0 269.301 1.993 20 5 CDBDRO COc1cc(C)nc(N2C[C@@H](C[NH3+])CC[C@H]2C)c1[N+](=O)[O-] ZINC001164462735 939475557 /nfs/dbraw/zinc/47/55/57/939475557.db2.gz TXXCWJRNBRWUOT-GHMZBOCLSA-N 1 0 294.355 1.870 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2CCC[C@@H]2C[NH+](C)C)n1 ZINC001165072432 939506784 /nfs/dbraw/zinc/50/67/84/939506784.db2.gz LQBSSTDXQXZAPP-SNVBAGLBSA-N 1 0 265.317 1.224 20 5 CDBDRO COCCC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC001165094507 939509733 /nfs/dbraw/zinc/50/97/33/939509733.db2.gz OSDHZBGXHFLWCK-UHFFFAOYSA-N 1 0 294.355 1.457 20 5 CDBDRO CCOc1nc(N(C)CC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001165141421 939516370 /nfs/dbraw/zinc/51/63/70/939516370.db2.gz LGXBRYRKAHUMHT-UHFFFAOYSA-N 1 0 294.355 1.921 20 5 CDBDRO C[NH+]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)C[C@@H]2C1 ZINC001165145716 939517650 /nfs/dbraw/zinc/51/76/50/939517650.db2.gz VRUFDTIEYRNXCW-IUCAKERBSA-N 1 0 282.731 1.641 20 5 CDBDRO C[NH+]1C[C@@H]2CN(c3cc(Cl)ncc3[N+](=O)[O-])C[C@H]2C1 ZINC001165149409 939519069 /nfs/dbraw/zinc/51/90/69/939519069.db2.gz PFDLFPPBWOPJCR-RKDXNWHRSA-N 1 0 282.731 1.641 20 5 CDBDRO [NH3+]C1CC2(C1)CCN(c1ncc([N+](=O)[O-])cc1F)CC2 ZINC001165243691 939532367 /nfs/dbraw/zinc/53/23/67/939532367.db2.gz OSHMHYCASYEYFH-UHFFFAOYSA-N 1 0 280.303 1.837 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001165296322 939542173 /nfs/dbraw/zinc/54/21/73/939542173.db2.gz CJBXAEBTFYQMGF-DTWKUNHWSA-N 1 0 252.249 1.070 20 5 CDBDRO [NH3+]C1CCN(c2cc([N+](=O)[O-])cc(Cl)n2)CC1 ZINC001166661688 939623693 /nfs/dbraw/zinc/62/36/93/939623693.db2.gz ONSVBPZJILNBHA-UHFFFAOYSA-N 1 0 256.693 1.571 20 5 CDBDRO [NH3+][C@@H]1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)C[C@@H]1F ZINC001166928482 939650615 /nfs/dbraw/zinc/65/06/15/939650615.db2.gz ZAMKKYSQDBZRML-DTWKUNHWSA-N 1 0 277.259 1.023 20 5 CDBDRO [NH3+][C@@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)C[C@@H]1F ZINC001166928734 939651063 /nfs/dbraw/zinc/65/10/63/939651063.db2.gz NJWGYIGPTBMEIJ-WDEREUQCSA-N 1 0 276.271 1.628 20 5 CDBDRO [NH3+][C@@H]1CN(c2ccc3cccc([N+](=O)[O-])c3n2)C[C@@H]1F ZINC001166928921 939651136 /nfs/dbraw/zinc/65/11/36/939651136.db2.gz YNAMESKPHVYYDM-VHSXEESVSA-N 1 0 276.271 1.628 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1nc2ccccc2[nH]1 ZINC001205809590 939938600 /nfs/dbraw/zinc/93/86/00/939938600.db2.gz GUTJMRUHQGCVES-LLVKDONJSA-N 1 0 292.359 1.063 20 5 CDBDRO Cc1ccc(CCOC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001206407384 940032495 /nfs/dbraw/zinc/03/24/95/940032495.db2.gz IXCVFMKXGYNKII-OAHLLOKOSA-N 1 0 280.388 1.538 20 5 CDBDRO COc1ncc(Nc2c[nH+]c(C)n2C)cc1[N+](=O)[O-] ZINC001210137425 940666148 /nfs/dbraw/zinc/66/61/48/940666148.db2.gz YSBAUMOJBJXJDM-UHFFFAOYSA-N 1 0 263.257 1.784 20 5 CDBDRO CC[C@H](C)C[C@@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000400987675 940862397 /nfs/dbraw/zinc/86/23/97/940862397.db2.gz ZHKZXKFDGZUEFF-GXFFZTMASA-N 1 0 279.340 1.975 20 5 CDBDRO CC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CC[NH2+]C2)c1 ZINC001218178201 941042475 /nfs/dbraw/zinc/04/24/75/941042475.db2.gz VOGBXMGEZSPUNK-JTQLQIEISA-N 1 0 250.254 1.538 20 5 CDBDRO CC(=O)Cc1c(F)c(O[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001218183086 941042998 /nfs/dbraw/zinc/04/29/98/941042998.db2.gz SORWBYQULSQLEM-VIFPVBQESA-N 1 0 282.271 1.606 20 5 CDBDRO CCc1ccc(C(=O)N[C@H]2C[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001524168103 970812914 /nfs/dbraw/zinc/81/29/14/970812914.db2.gz ISAHBBMJEXEDQL-XYPYZODXSA-N 1 0 263.297 1.377 20 5 CDBDRO C[C@]([NH3+])(C(=O)NCCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC001524181214 970817125 /nfs/dbraw/zinc/81/71/25/970817125.db2.gz GNPVDJKIEMWYDZ-GFCCVEGCSA-N 1 0 287.266 1.540 20 5 CDBDRO COC(=O)c1ccc(CO[C@@H](C)C[N+](C)(C)C)nc1 ZINC001222969415 941646053 /nfs/dbraw/zinc/64/60/53/941646053.db2.gz RASXIPGECNDHPZ-NSHDSACASA-N 1 0 267.349 1.480 20 5 CDBDRO CCCCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001223114912 941658807 /nfs/dbraw/zinc/65/88/07/941658807.db2.gz WXLGNVHOEWKIFE-ZIAGYGMSSA-N 1 0 297.399 1.670 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCc1ccc(-n2ccnn2)cc1 ZINC001224190095 941728984 /nfs/dbraw/zinc/72/89/84/941728984.db2.gz AMTFRNGHSFZCTI-ZDUSSCGKSA-N 1 0 275.376 1.879 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCc1nc(-c2cnccn2)no1 ZINC001224255772 941734791 /nfs/dbraw/zinc/73/47/91/941734791.db2.gz AKGDENUALOUVGK-JTQLQIEISA-N 1 0 278.336 1.138 20 5 CDBDRO CCOC(=O)C(F)(F)[C@H](CC)OCC[N+](C)(C)C ZINC001224771031 941790454 /nfs/dbraw/zinc/79/04/54/941790454.db2.gz FHSDWJNWBDIUEH-JTQLQIEISA-N 1 0 268.324 1.686 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1OCC[N@H+]1CC[C@@H](OC)C1 ZINC001225616894 941888372 /nfs/dbraw/zinc/88/83/72/941888372.db2.gz YZIKYRJFRPQPNI-GFCCVEGCSA-N 1 0 296.323 1.703 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2cc[nH]c2c1 ZINC001225655108 941894310 /nfs/dbraw/zinc/89/43/10/941894310.db2.gz HVPWGWSPKNVFRW-GFCCVEGCSA-N 1 0 277.344 1.531 20 5 CDBDRO C[C@@H](C[NH+](C)C)Oc1ncc([N+](=O)[O-])cc1Cl ZINC001226255932 941976173 /nfs/dbraw/zinc/97/61/73/941976173.db2.gz QEZLMSPLCYYRLC-ZETCQYMHSA-N 1 0 259.693 1.972 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2c(O)cccc2[N+](=O)[O-])C1 ZINC001226334531 941988675 /nfs/dbraw/zinc/98/86/75/941988675.db2.gz WGIVHXMUBRQIBM-VIFPVBQESA-N 1 0 252.270 1.773 20 5 CDBDRO C[NH+]1CCC(Oc2c(O)cccc2[N+](=O)[O-])CC1 ZINC001226334949 941989433 /nfs/dbraw/zinc/98/94/33/941989433.db2.gz CDRGRWOVAQDQGC-UHFFFAOYSA-N 1 0 252.270 1.773 20 5 CDBDRO COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CCC[N@H+](C)C1 ZINC001227121687 942135881 /nfs/dbraw/zinc/13/58/81/942135881.db2.gz FGIUUZXWFRAZTJ-SNVBAGLBSA-N 1 0 294.307 1.854 20 5 CDBDRO CCCCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001227257821 942159537 /nfs/dbraw/zinc/15/95/37/942159537.db2.gz FSACXGVLWZVJPC-ZIAGYGMSSA-N 1 0 297.399 1.813 20 5 CDBDRO Cc1cc(Cl)ncc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228532736 942331975 /nfs/dbraw/zinc/33/19/75/942331975.db2.gz JGJZASHUWJFIOX-SNVBAGLBSA-N 1 0 287.767 1.406 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](Oc1n[nH]cc3nncc1-3)C2 ZINC001230894529 942726751 /nfs/dbraw/zinc/72/67/51/942726751.db2.gz ALGDERWMDUIKLH-LLVKDONJSA-N 1 0 297.274 1.807 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001263197104 943783158 /nfs/dbraw/zinc/78/31/58/943783158.db2.gz MSPONVYYZXPIOM-MFKMUULPSA-N 1 0 277.324 1.914 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@@H]2CC[C@H](OC)C2)c1[N+](=O)[O-] ZINC001262365978 946612715 /nfs/dbraw/zinc/61/27/15/946612715.db2.gz QSCKJADKFILUMK-MNOVXSKESA-N 1 0 296.323 1.966 20 5 CDBDRO [NH3+]CCONC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465915 947450716 /nfs/dbraw/zinc/45/07/16/947450716.db2.gz ODLRCWMDERNPMR-UHFFFAOYSA-N 1 0 280.328 1.044 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCNC(=O)C1 ZINC001254533189 947514039 /nfs/dbraw/zinc/51/40/39/947514039.db2.gz XTRKSKFNSPZTDG-NEPJUHHUSA-N 1 0 291.351 1.642 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](CO)C1 ZINC001254538483 947515445 /nfs/dbraw/zinc/51/54/45/947515445.db2.gz VZNBYSAILXCALQ-NQBHXWOUSA-N 1 0 264.325 1.886 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N1CCCC1 ZINC001254534740 947515824 /nfs/dbraw/zinc/51/58/24/947515824.db2.gz CIKPEBHINJTPOQ-LBPRGKRZSA-N 1 0 291.351 1.738 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(CO)CCOCC1 ZINC001254537084 947516513 /nfs/dbraw/zinc/51/65/13/947516513.db2.gz WSGTXRWEPAIJRT-LBPRGKRZSA-N 1 0 294.351 1.657 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](O)C1 ZINC001254550325 947522703 /nfs/dbraw/zinc/52/27/03/947522703.db2.gz HRFWQIPIVFJXPP-DGCLKSJQSA-N 1 0 264.325 1.983 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@H]1O)C2 ZINC001254568918 947530535 /nfs/dbraw/zinc/53/05/35/947530535.db2.gz WMHNBDSLCPGADD-MRVWCRGKSA-N 1 0 262.309 1.565 20 5 CDBDRO Cc1ncc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001254574969 947533328 /nfs/dbraw/zinc/53/33/28/947533328.db2.gz MIQJKWUDRREBCT-CQSZACIVSA-N 1 0 284.319 1.950 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCOC[C@H]1F)C2 ZINC001254579560 947537382 /nfs/dbraw/zinc/53/73/82/947537382.db2.gz STPBXVJSEFVAPU-MRVWCRGKSA-N 1 0 280.299 1.779 20 5 CDBDRO O=C1C[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCCN1 ZINC001254589600 947542650 /nfs/dbraw/zinc/54/26/50/947542650.db2.gz PTDPCOVYMBVKSZ-OLZOCXBDSA-N 1 0 289.335 1.320 20 5 CDBDRO COCC1C[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254597824 947544966 /nfs/dbraw/zinc/54/49/66/947544966.db2.gz HVHCZYIXWYWEND-AWEZNQCLSA-N 1 0 262.309 1.640 20 5 CDBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599282 947548478 /nfs/dbraw/zinc/54/84/78/947548478.db2.gz NCJDCVLJGNEGQG-OWYVNGRQSA-N 1 0 262.309 1.517 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001327830470 955067267 /nfs/dbraw/zinc/06/72/67/955067267.db2.gz QXRCINPHOVNJHZ-SNVBAGLBSA-N 1 0 292.339 1.270 20 5 CDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCn2nc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001328047576 955171843 /nfs/dbraw/zinc/17/18/43/955171843.db2.gz XRAJEQFCLPLTAB-AOOOYVTPSA-N 1 0 297.315 1.677 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC001328693186 955421130 /nfs/dbraw/zinc/42/11/30/955421130.db2.gz SOYSCKULRDMFEZ-VIFPVBQESA-N 1 0 296.327 1.723 20 5 CDBDRO C[NH+](C)CCCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331255527 956922337 /nfs/dbraw/zinc/92/23/37/956922337.db2.gz WMZQZYHLYOTWOD-UHFFFAOYSA-N 1 0 292.339 1.572 20 5 CDBDRO CCN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC001333749297 958565720 /nfs/dbraw/zinc/56/57/20/958565720.db2.gz HLCYDIQKWOMRSN-AWEZNQCLSA-N 1 0 291.351 1.738 20 5 CDBDRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CC[N+](=O)[O-])C12CCC2 ZINC001336837861 960646491 /nfs/dbraw/zinc/64/64/91/960646491.db2.gz BODLZTLDAZWJNU-WDEREUQCSA-N 1 0 299.371 1.689 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001337483344 961224837 /nfs/dbraw/zinc/22/48/37/961224837.db2.gz YWYNUPPKXIYINA-CYBMUJFWSA-N 1 0 277.324 1.809 20 5 CDBDRO C[C@H](CNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)[NH+](C)C ZINC001337678700 961357393 /nfs/dbraw/zinc/35/73/93/961357393.db2.gz MLIVWNDXRGYJGN-MRVPVSSYSA-N 1 0 284.291 1.806 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)CC[C@H]21 ZINC001339629618 962455529 /nfs/dbraw/zinc/45/55/29/962455529.db2.gz PFSQVYGDERNHHH-ZYHUDNBSSA-N 1 0 291.355 1.493 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H](O)C[NH+]1CCCC1)C2 ZINC001339643356 962462228 /nfs/dbraw/zinc/46/22/28/962462228.db2.gz ORXAIMQVRDFSKP-HNNXBMFYSA-N 1 0 291.351 1.367 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1NC ZINC001346027946 964893664 /nfs/dbraw/zinc/89/36/64/964893664.db2.gz CSRMUEWLDCJYJH-SECBINFHSA-N 1 0 280.328 1.364 20 5 CDBDRO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]CC[N+](=O)[O-])cc1 ZINC001351163786 966874915 /nfs/dbraw/zinc/87/49/15/966874915.db2.gz GSDBKGAPQGFCEP-OAHLLOKOSA-N 1 0 293.367 1.235 20 5 CDBDRO C[C@@H](NC(=O)C[C@H]([NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001358141769 969700562 /nfs/dbraw/zinc/70/05/62/969700562.db2.gz FURXRYFREYMMPL-RNCFNFMXSA-N 1 0 277.324 1.899 20 5 CDBDRO CCC(=O)c1ccc(N2CC3(C[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001576931226 1171564465 /nfs/dbraw/zinc/56/44/65/1171564465.db2.gz FPHOCNOHNOJTTO-UHFFFAOYSA-N 1 0 275.308 1.597 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000320669365 341993846 /nfs/dbraw/zinc/99/38/46/341993846.db2.gz JHPLWUNUEACPNY-SFYZADRCSA-N 1 0 269.276 1.590 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000127633536 187321518 /nfs/dbraw/zinc/32/15/18/187321518.db2.gz DAIMDDYLUMWKBR-ZJUUUORDSA-N 1 0 293.298 1.700 20 5 CDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000590403660 342543992 /nfs/dbraw/zinc/54/39/92/342543992.db2.gz LWIMDZYEFQNDKD-IUCAKERBSA-N 1 0 283.353 1.821 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1C[C@@H](CO)C1 ZINC000601291769 342549817 /nfs/dbraw/zinc/54/98/17/342549817.db2.gz NKFGOTTXGFOCCM-GBIKHYSHSA-N 1 0 262.309 1.943 20 5 CDBDRO CC(C)C[NH+]1CCC(Nc2c([N+](=O)[O-])ncn2C)CC1 ZINC000042633404 342000005 /nfs/dbraw/zinc/00/00/05/342000005.db2.gz VHPLKOHOUVYPHZ-UHFFFAOYSA-N 1 0 281.360 1.861 20 5 CDBDRO CC[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000611564952 346818649 /nfs/dbraw/zinc/81/86/49/346818649.db2.gz VNPHNAPLPFWDIV-UHFFFAOYSA-N 1 0 287.323 1.680 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000601330899 342554804 /nfs/dbraw/zinc/55/48/04/342554804.db2.gz YYPOEFWJAGLRDI-IUCAKERBSA-N 1 0 253.277 1.655 20 5 CDBDRO CC(C)[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000564980932 365559942 /nfs/dbraw/zinc/55/99/42/365559942.db2.gz LJFXMJQCJGCKTQ-UHFFFAOYSA-N 1 0 254.290 1.041 20 5 CDBDRO COC[C@H](C)OC[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000234743058 342046729 /nfs/dbraw/zinc/04/67/29/342046729.db2.gz SGEFOXGNHLWPDI-FZMZJTMJSA-N 1 0 298.339 1.097 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H](C1CC1)[NH+](C)C ZINC000609287472 342100305 /nfs/dbraw/zinc/10/03/05/342100305.db2.gz RATWXPWUXPJBBC-SECBINFHSA-N 1 0 253.306 1.080 20 5 CDBDRO CC[NH+](CC)CCSCCn1cc([N+](=O)[O-])cn1 ZINC000083093312 178338396 /nfs/dbraw/zinc/33/83/96/178338396.db2.gz WEFHCPBMGALLKL-UHFFFAOYSA-N 1 0 272.374 1.866 20 5 CDBDRO [NH3+][C@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000591278203 342623992 /nfs/dbraw/zinc/62/39/92/342623992.db2.gz CNKRVARQFIZJRX-LLVKDONJSA-N 1 0 293.323 1.193 20 5 CDBDRO C[C@H](CC[NH3+])NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591278221 342624141 /nfs/dbraw/zinc/62/41/41/342624141.db2.gz YXXRWCRNQOECKG-SECBINFHSA-N 1 0 281.312 1.193 20 5 CDBDRO Cc1nc(N2CC[C@H]3CC[NH2+][C@H]3C2)ccc1[N+](=O)[O-] ZINC000591437355 342631949 /nfs/dbraw/zinc/63/19/49/342631949.db2.gz GQAJCWSGKBMDLZ-MNOVXSKESA-N 1 0 262.313 1.486 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H]4CC[NH2+][C@@H]4C3)c2c1 ZINC000591439884 342632141 /nfs/dbraw/zinc/63/21/41/342632141.db2.gz ZRLLJIJKMJUDDQ-IINYFYTJSA-N 1 0 299.334 1.726 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000592333597 342685731 /nfs/dbraw/zinc/68/57/31/342685731.db2.gz LAJKMGIHVGYBMH-VIFPVBQESA-N 1 0 265.313 1.336 20 5 CDBDRO COC(=O)c1cc(OC[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000592158860 342670848 /nfs/dbraw/zinc/67/08/48/342670848.db2.gz XLCLULWINHPNDG-SECBINFHSA-N 1 0 280.280 1.370 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592438935 342693023 /nfs/dbraw/zinc/69/30/23/342693023.db2.gz WGGFWWKBEVAOQN-UWVGGRQHSA-N 1 0 295.339 1.581 20 5 CDBDRO COc1ccc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000592558304 342709532 /nfs/dbraw/zinc/70/95/32/342709532.db2.gz RWMVDDQLVWHILO-GDGBQDQQSA-N 1 0 277.280 1.007 20 5 CDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCC[NH+]1CCC1 ZINC000593548332 342810768 /nfs/dbraw/zinc/81/07/68/342810768.db2.gz XCKPGMXBHZYJTI-UHFFFAOYSA-N 1 0 281.287 1.098 20 5 CDBDRO C[C@@H](O)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594054894 342872805 /nfs/dbraw/zinc/87/28/05/342872805.db2.gz HFYFJKXXZQZKCN-LLVKDONJSA-N 1 0 280.324 1.819 20 5 CDBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])o1 ZINC000594201685 342879901 /nfs/dbraw/zinc/87/99/01/342879901.db2.gz PGFQPJJAORTTFO-QWRGUYRKSA-N 1 0 293.323 1.935 20 5 CDBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000609382342 342263841 /nfs/dbraw/zinc/26/38/41/342263841.db2.gz AOIPJMGGOHCTHI-SNVBAGLBSA-N 1 0 278.312 1.137 20 5 CDBDRO C[NH2+]C(C)(C)c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000594652481 342933805 /nfs/dbraw/zinc/93/38/05/342933805.db2.gz QRAGJGFOZWDTIK-UHFFFAOYSA-N 1 0 275.312 1.689 20 5 CDBDRO [NH3+]CCOCc1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000594654644 342934971 /nfs/dbraw/zinc/93/49/71/342934971.db2.gz ZPLKDNPIGZFYNC-UHFFFAOYSA-N 1 0 297.702 1.304 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000127820198 342286183 /nfs/dbraw/zinc/28/61/83/342286183.db2.gz ZIQALHXXWVLFKE-MFKMUULPSA-N 1 0 293.323 1.091 20 5 CDBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000594964904 342990525 /nfs/dbraw/zinc/99/05/25/342990525.db2.gz CTEUHPCZXVFXCE-JTQLQIEISA-N 1 0 250.298 1.845 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)Cn1cncn1 ZINC000595015159 343001133 /nfs/dbraw/zinc/00/11/33/343001133.db2.gz YVWIXPWAVVUESY-SNVBAGLBSA-N 1 0 291.311 1.373 20 5 CDBDRO CC[C@@H](O)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000595077799 343003009 /nfs/dbraw/zinc/00/30/09/343003009.db2.gz XDMNWVUKYGIQCG-UTUOFQBUSA-N 1 0 282.344 1.636 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000595229379 343009335 /nfs/dbraw/zinc/00/93/35/343009335.db2.gz WCTRVSPWBABPDJ-SKDRFNHKSA-N 1 0 293.323 1.413 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000595230337 343009683 /nfs/dbraw/zinc/00/96/83/343009683.db2.gz PVDSLKPSWNFCQU-VIFPVBQESA-N 1 0 266.301 1.633 20 5 CDBDRO CCN1CC[C@@H]([N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000595477186 343064782 /nfs/dbraw/zinc/06/47/82/343064782.db2.gz RQGLLPMBTXDUHJ-CQSZACIVSA-N 1 0 291.351 1.690 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595810271 343160701 /nfs/dbraw/zinc/16/07/01/343160701.db2.gz LLBBJZMKKSPZSL-JHJVBQTASA-N 1 0 292.335 1.676 20 5 CDBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])o2)CCCC1 ZINC000595966706 343198514 /nfs/dbraw/zinc/19/85/14/343198514.db2.gz MEPPLJRMGDZOCT-UHFFFAOYSA-N 1 0 253.258 1.189 20 5 CDBDRO C[NH+](C)CC(C)(C)CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596055655 343222143 /nfs/dbraw/zinc/22/21/43/343222143.db2.gz JWNRSVJCNMKGSE-UHFFFAOYSA-N 1 0 294.355 1.693 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000595983082 343211277 /nfs/dbraw/zinc/21/12/77/343211277.db2.gz NOJJWKRXVPMAAG-SSDOTTSWSA-N 1 0 271.704 1.586 20 5 CDBDRO C[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000596110603 343229986 /nfs/dbraw/zinc/22/99/86/343229986.db2.gz QPAVXFQNYPFAIZ-QMMMGPOBSA-N 1 0 266.301 1.590 20 5 CDBDRO C[C@H](Nc1ccc(N)c([N+](=O)[O-])n1)C(C)(C)C[NH+](C)C ZINC000596144500 343242874 /nfs/dbraw/zinc/24/28/74/343242874.db2.gz FVKYGFXBMKUNSC-VIFPVBQESA-N 1 0 281.360 1.382 20 5 CDBDRO CC(C)Oc1nc(N2CC(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000596247190 343286522 /nfs/dbraw/zinc/28/65/22/343286522.db2.gz MFDFUKSRZJZWMX-UHFFFAOYSA-N 1 0 294.355 1.775 20 5 CDBDRO CC(C)[NH2+]C1(CO)CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000596251295 343274774 /nfs/dbraw/zinc/27/47/74/343274774.db2.gz PLWMKHMTUQKQRH-UHFFFAOYSA-N 1 0 294.355 1.319 20 5 CDBDRO Cc1cc(NCC[NH+]2CCC(O)CC2)c([N+](=O)[O-])s1 ZINC000596258283 343276815 /nfs/dbraw/zinc/27/68/15/343276815.db2.gz IOQAYQLDINOGRI-UHFFFAOYSA-N 1 0 285.369 1.833 20 5 CDBDRO C[C@@H](CC[S@](C)=O)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000128276886 342448789 /nfs/dbraw/zinc/44/87/89/342448789.db2.gz SMXWRKYGGXPUSP-JEOXALJRSA-N 1 0 284.381 1.884 20 5 CDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000597696094 343614333 /nfs/dbraw/zinc/61/43/33/343614333.db2.gz BGHIXCOEQMGWJE-WCBMZHEXSA-N 1 0 266.301 1.088 20 5 CDBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000111828898 365797134 /nfs/dbraw/zinc/79/71/34/365797134.db2.gz JCZHMCHYBQRGEF-SECBINFHSA-N 1 0 283.303 1.837 20 5 CDBDRO C[C@H](CCNC(=O)Cc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000597995888 343684588 /nfs/dbraw/zinc/68/45/88/343684588.db2.gz HAEZMFXHUGOKQB-LLVKDONJSA-N 1 0 279.340 1.594 20 5 CDBDRO CC(=O)N1CC[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000598648453 343857177 /nfs/dbraw/zinc/85/71/77/343857177.db2.gz SAROHXIYOHDFBZ-KXQLTZBTSA-N 1 0 289.335 1.818 20 5 CDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)CO ZINC000612077731 347004380 /nfs/dbraw/zinc/00/43/80/347004380.db2.gz KXDYZAMBMIMTLT-NSHDSACASA-N 1 0 298.339 1.037 20 5 CDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000598915206 343919638 /nfs/dbraw/zinc/91/96/38/343919638.db2.gz KPDJUPIVHVMTJM-WPRPVWTQSA-N 1 0 282.275 1.416 20 5 CDBDRO CCN(CC[NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000599597886 344089192 /nfs/dbraw/zinc/08/91/92/344089192.db2.gz ZFCUSZGRVBKKGJ-UHFFFAOYSA-N 1 0 266.301 1.716 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601645863 344211434 /nfs/dbraw/zinc/21/14/34/344211434.db2.gz SGIUZOKMHKVYOW-UHFFFAOYSA-N 1 0 281.287 1.558 20 5 CDBDRO COC[C@@](C)(CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000602014750 344313879 /nfs/dbraw/zinc/31/38/79/344313879.db2.gz WIRUKCSDTLOPNI-CYBMUJFWSA-N 1 0 268.313 1.390 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000602599904 344504356 /nfs/dbraw/zinc/50/43/56/344504356.db2.gz TUTCNUSNWBSOLB-SFYZADRCSA-N 1 0 283.715 1.810 20 5 CDBDRO CC[NH2+][C@H](C)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000602459122 344438571 /nfs/dbraw/zinc/43/85/71/344438571.db2.gz OZMZNSKTTCEPOV-SECBINFHSA-N 1 0 263.297 1.482 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(CO)cc2)c1 ZINC000602566834 344483641 /nfs/dbraw/zinc/48/36/41/344483641.db2.gz BWIHRFUFSIAJIM-UHFFFAOYSA-N 1 0 276.296 1.073 20 5 CDBDRO C[C@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CS1 ZINC000602567417 344483742 /nfs/dbraw/zinc/48/37/42/344483742.db2.gz DFXQBQHYYKFIEK-IUCAKERBSA-N 1 0 256.331 1.275 20 5 CDBDRO C[C@H](O)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602636504 344510059 /nfs/dbraw/zinc/51/00/59/344510059.db2.gz IWEPRYBGRATSNK-NSHDSACASA-N 1 0 294.355 1.319 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000602772009 344576322 /nfs/dbraw/zinc/57/63/22/344576322.db2.gz FNFHRNGGVSHPND-CYBMUJFWSA-N 1 0 293.371 1.270 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000602780791 344596455 /nfs/dbraw/zinc/59/64/55/344596455.db2.gz LRRNTNBFVCHLHI-VHSXEESVSA-N 1 0 284.385 1.926 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]([NH+](C)C)C1 ZINC000602773820 344577723 /nfs/dbraw/zinc/57/77/23/344577723.db2.gz WQGUKZKJJMNQHU-GFCCVEGCSA-N 1 0 281.360 1.126 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000602795319 344586686 /nfs/dbraw/zinc/58/66/86/344586686.db2.gz AIBMAMAPOXRDCQ-WDEREUQCSA-N 1 0 281.360 1.124 20 5 CDBDRO C[C@H]1OCC[C@H]1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000602819619 344608537 /nfs/dbraw/zinc/60/85/37/344608537.db2.gz UDQOOZYXJHSSMD-NEPJUHHUSA-N 1 0 294.355 1.853 20 5 CDBDRO C[NH2+][C@@H](C)c1cn(CCOc2cccc([N+](=O)[O-])c2)nn1 ZINC000603202732 344734180 /nfs/dbraw/zinc/73/41/80/344734180.db2.gz XSBVWVHYJUUZTE-JTQLQIEISA-N 1 0 291.311 1.546 20 5 CDBDRO CC1(C)C[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000604282929 344872305 /nfs/dbraw/zinc/87/23/05/344872305.db2.gz NTCFHZYIOVWWHS-WCQYABFASA-N 1 0 280.324 1.723 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000129128690 345265616 /nfs/dbraw/zinc/26/56/16/345265616.db2.gz OXIJPGJDOBKMBU-GHMZBOCLSA-N 1 0 292.339 1.345 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000129585124 345640740 /nfs/dbraw/zinc/64/07/40/345640740.db2.gz BPCGYPLCVYFEHK-STQMWFEESA-N 1 0 280.324 1.852 20 5 CDBDRO COc1ccc(C[NH2+]Cc2cnn(C)c2C)cc1[N+](=O)[O-] ZINC000161205511 362629822 /nfs/dbraw/zinc/62/98/22/362629822.db2.gz KKDJAUIYRHZPEB-UHFFFAOYSA-N 1 0 290.323 1.935 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)C[NH3+])c1 ZINC000088147718 346013050 /nfs/dbraw/zinc/01/30/50/346013050.db2.gz BTBJSFICCBZJDJ-UHFFFAOYSA-N 1 0 251.286 1.370 20 5 CDBDRO CCC[N@H+](C)C[C@@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000610282674 346243294 /nfs/dbraw/zinc/24/32/94/346243294.db2.gz IUAPRINHJMYLJS-NSHDSACASA-N 1 0 281.360 1.496 20 5 CDBDRO C[NH+](C)[C@]1(CNc2cccnc2[N+](=O)[O-])CCSC1 ZINC000610489116 346293086 /nfs/dbraw/zinc/29/30/86/346293086.db2.gz JKNCOWWMZOPJFY-LBPRGKRZSA-N 1 0 282.369 1.839 20 5 CDBDRO Cc1cnc(N2CC[N@@H+](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000611299101 346740719 /nfs/dbraw/zinc/74/07/19/346740719.db2.gz OAHJPMUUPFPWNU-GHMZBOCLSA-N 1 0 264.329 1.827 20 5 CDBDRO O=[N+]([O-])c1ccsc1N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000611412055 346779267 /nfs/dbraw/zinc/77/92/67/346779267.db2.gz FQCZWVJSZWRBRD-ZYHUDNBSSA-N 1 0 297.380 1.692 20 5 CDBDRO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[C@@H]1[NH3+] ZINC000122433597 347646262 /nfs/dbraw/zinc/64/62/62/347646262.db2.gz CAMZVKWCSWTURA-ZANVPECISA-N 1 0 295.314 1.933 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2CC[NH2+]CC2)c1 ZINC000088147691 179556794 /nfs/dbraw/zinc/55/67/94/179556794.db2.gz MGTPGGPSYPFBGH-UHFFFAOYSA-N 1 0 277.324 1.633 20 5 CDBDRO COCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000066380197 348982738 /nfs/dbraw/zinc/98/27/38/348982738.db2.gz UVWMZFNPIPNTKI-NSHDSACASA-N 1 0 295.339 1.890 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000067703510 349033448 /nfs/dbraw/zinc/03/34/48/349033448.db2.gz QCNIRHOUHCIQRN-GFCCVEGCSA-N 1 0 289.335 1.870 20 5 CDBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000111829056 349232683 /nfs/dbraw/zinc/23/26/83/349232683.db2.gz YYRCTBDUGVEYHY-SECBINFHSA-N 1 0 268.317 1.037 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@H+](C)C1CC1 ZINC000091549822 180189111 /nfs/dbraw/zinc/18/91/11/180189111.db2.gz JUVUMXYPGPOHMN-UHFFFAOYSA-N 1 0 267.333 1.626 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000109546875 186261675 /nfs/dbraw/zinc/26/16/75/186261675.db2.gz DWZTZQOPTYTCMT-LLVKDONJSA-N 1 0 266.297 1.872 20 5 CDBDRO O=C(NCC[C@H]1CC[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000110796690 186325736 /nfs/dbraw/zinc/32/57/36/186325736.db2.gz PBSSPNJHOHNSJG-SNVBAGLBSA-N 1 0 278.312 1.716 20 5 CDBDRO CC[C@H]1C[N@H+](CC)CCN1c1ncccc1[N+](=O)[O-] ZINC000515986920 362980049 /nfs/dbraw/zinc/98/00/49/362980049.db2.gz VEFNQQHAMYXQCN-NSHDSACASA-N 1 0 264.329 1.910 20 5 CDBDRO CC[N@@H+]1CCN(c2ccc(N)c([N+](=O)[O-])n2)C[C@@H]1C ZINC000311916215 350732338 /nfs/dbraw/zinc/73/23/38/350732338.db2.gz FXLYUKHOMWZHDM-VIFPVBQESA-N 1 0 265.317 1.102 20 5 CDBDRO Cc1cc(C(=O)N2CCCO[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000313332221 350832987 /nfs/dbraw/zinc/83/29/87/350832987.db2.gz CTRYYTDICWZAHP-ZDUSSCGKSA-N 1 0 293.323 1.093 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000111303512 186393436 /nfs/dbraw/zinc/39/34/36/186393436.db2.gz JKWZMGMJIMDXNN-AEZGRPFRSA-N 1 0 263.297 1.462 20 5 CDBDRO [NH3+]CC1(NC(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000111831701 186462372 /nfs/dbraw/zinc/46/23/72/186462372.db2.gz ZLYNHDUZBWVPKF-UHFFFAOYSA-N 1 0 263.297 1.596 20 5 CDBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCO ZINC000115698667 350959547 /nfs/dbraw/zinc/95/95/47/350959547.db2.gz FOEMRVAWHGJTJJ-UHFFFAOYSA-N 1 0 264.203 1.696 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000156095415 351451008 /nfs/dbraw/zinc/45/10/08/351451008.db2.gz BYCDPVXNUBSGCG-ZJUUUORDSA-N 1 0 278.312 1.938 20 5 CDBDRO C[C@](C[NH3+])(NC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000133734571 366043487 /nfs/dbraw/zinc/04/34/87/366043487.db2.gz PCPFYVJCMSAWGK-CYBMUJFWSA-N 1 0 278.312 1.844 20 5 CDBDRO CC(C)(C[NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000122968281 187062840 /nfs/dbraw/zinc/06/28/40/187062840.db2.gz BRYOKEUHWVJZRC-UHFFFAOYSA-N 1 0 251.286 1.196 20 5 CDBDRO CC[C@H]([NH3+])C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000136481636 363110941 /nfs/dbraw/zinc/11/09/41/363110941.db2.gz QJUZMZPQAYGGBO-QMMMGPOBSA-N 1 0 253.258 1.279 20 5 CDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1(CO)CCC1 ZINC000292074023 198153259 /nfs/dbraw/zinc/15/32/59/198153259.db2.gz DYRYAZPENMVENU-UHFFFAOYSA-N 1 0 280.324 1.820 20 5 CDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC([NH+](C)C)C1 ZINC000135641426 187845446 /nfs/dbraw/zinc/84/54/46/187845446.db2.gz QIGWXOQTDPEIJK-UHFFFAOYSA-N 1 0 292.339 1.047 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000153468080 188084759 /nfs/dbraw/zinc/08/47/59/188084759.db2.gz NMVDJJSJOLDVJX-CYBMUJFWSA-N 1 0 277.324 1.761 20 5 CDBDRO Cc1cc(C(=O)NC[C@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000292496883 198310064 /nfs/dbraw/zinc/31/00/64/198310064.db2.gz WZOKWXOGTIJMHV-NSHDSACASA-N 1 0 279.340 1.831 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000158277105 188367118 /nfs/dbraw/zinc/36/71/18/188367118.db2.gz YLBJTBBSMNENLH-OAHLLOKOSA-N 1 0 289.335 1.729 20 5 CDBDRO CSc1ccc(C(=O)N2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000158303815 188369287 /nfs/dbraw/zinc/36/92/87/188369287.db2.gz WQIBPFJATUULHM-SNVBAGLBSA-N 1 0 295.364 1.880 20 5 CDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000382443016 363251401 /nfs/dbraw/zinc/25/14/01/363251401.db2.gz HBOJOVSTDUHVDY-CMPLNLGQSA-N 1 0 277.324 1.381 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](CCO)c2ccccc2)c1 ZINC000271717092 191288391 /nfs/dbraw/zinc/28/83/91/191288391.db2.gz WAVSLPZXNKJQCM-AWEZNQCLSA-N 1 0 290.323 1.505 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000063192683 363382594 /nfs/dbraw/zinc/38/25/94/363382594.db2.gz DEEHCZZNDCVXTJ-ZYHUDNBSSA-N 1 0 277.324 1.937 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC[C@@H]21 ZINC000269000351 366306571 /nfs/dbraw/zinc/30/65/71/366306571.db2.gz JNPVXPJJVKRTJP-JQWIXIFHSA-N 1 0 292.339 1.479 20 5 CDBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000119040297 357223562 /nfs/dbraw/zinc/22/35/62/357223562.db2.gz VKLOVJKRAMLEKR-VXGBXAGGSA-N 1 0 280.324 1.988 20 5 CDBDRO C[NH2+][C@@H]1CCN(c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000135058627 357312157 /nfs/dbraw/zinc/31/21/57/357312157.db2.gz YSWFZXWUWCZHGR-SECBINFHSA-N 1 0 251.286 1.402 20 5 CDBDRO COc1cc(CN2C[C@@H](C)[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000262041120 357355337 /nfs/dbraw/zinc/35/53/37/357355337.db2.gz PDIKVTUGEAHVEA-MWLCHTKSSA-N 1 0 295.339 1.391 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000182213011 357420683 /nfs/dbraw/zinc/42/06/83/357420683.db2.gz HMHBMEPRZQIXQO-LLVKDONJSA-N 1 0 298.364 1.383 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000360554583 357446520 /nfs/dbraw/zinc/44/65/20/357446520.db2.gz XNNOVOCXEKYVFZ-AWEZNQCLSA-N 1 0 279.315 1.919 20 5 CDBDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000185794843 357577249 /nfs/dbraw/zinc/57/72/49/357577249.db2.gz OBOVPEWPBBHVIN-LBPRGKRZSA-N 1 0 293.323 1.915 20 5 CDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000283374564 357554642 /nfs/dbraw/zinc/55/46/42/357554642.db2.gz RFNUCHWTAONBSK-CQSZACIVSA-N 1 0 291.351 1.690 20 5 CDBDRO O=C(N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000361079567 357793573 /nfs/dbraw/zinc/79/35/73/357793573.db2.gz LLSCBWMUFRCDLP-ZIAGYGMSSA-N 1 0 289.335 1.713 20 5 CDBDRO O=C(N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)c1csc([N+](=O)[O-])c1 ZINC000361096569 357797993 /nfs/dbraw/zinc/79/79/93/357797993.db2.gz MHTZIQNTJVXCFW-GHMZBOCLSA-N 1 0 295.364 1.774 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCC[NH2+]C1CC1 ZINC000135224927 357800110 /nfs/dbraw/zinc/80/01/10/357800110.db2.gz YHQLAITUDGKROQ-UHFFFAOYSA-N 1 0 263.297 1.006 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000135236927 357801178 /nfs/dbraw/zinc/80/11/78/357801178.db2.gz NPPCDQJHZCSYDS-NXEZZACHSA-N 1 0 295.314 1.933 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000188833714 357943262 /nfs/dbraw/zinc/94/32/62/357943262.db2.gz STNINQOWCIWBDE-PWSUYJOCSA-N 1 0 250.298 1.845 20 5 CDBDRO CC(C)OC1CC([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000189548182 358024098 /nfs/dbraw/zinc/02/40/98/358024098.db2.gz IXBSSNFUPUVTPJ-UHFFFAOYSA-N 1 0 268.317 1.337 20 5 CDBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000189549215 358025271 /nfs/dbraw/zinc/02/52/71/358025271.db2.gz HCKCNYSJRFAAEY-CHWSQXEVSA-N 1 0 293.367 1.482 20 5 CDBDRO COC(=O)c1cnc(NCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000190164815 358056498 /nfs/dbraw/zinc/05/64/98/358056498.db2.gz UKDOBVRHQTVEQG-UHFFFAOYSA-N 1 0 294.311 1.284 20 5 CDBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC(C)(C)C1 ZINC000361472400 358219769 /nfs/dbraw/zinc/21/97/69/358219769.db2.gz XFUSYYLTHBIMRD-AAEUAGOBSA-N 1 0 296.371 1.663 20 5 CDBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000193631755 358310304 /nfs/dbraw/zinc/31/03/04/358310304.db2.gz UNOXACGCEUHTSR-MFKMUULPSA-N 1 0 293.323 1.088 20 5 CDBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000294898491 199238401 /nfs/dbraw/zinc/23/84/01/199238401.db2.gz RJYYIXWTXUACLT-NSHDSACASA-N 1 0 277.324 1.857 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000567048750 358622822 /nfs/dbraw/zinc/62/28/22/358622822.db2.gz PNSDBVKEWZGACJ-DTWKUNHWSA-N 1 0 296.327 1.851 20 5 CDBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176262178 358764290 /nfs/dbraw/zinc/76/42/90/358764290.db2.gz CSZXWNOYANGEHE-WDEREUQCSA-N 1 0 252.318 1.912 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000186865444 358833311 /nfs/dbraw/zinc/83/33/11/358833311.db2.gz ZJUQZXHZVAGQEQ-GWCFXTLKSA-N 1 0 277.324 1.252 20 5 CDBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000251607938 366516397 /nfs/dbraw/zinc/51/63/97/366516397.db2.gz DJABZBXMZMYFME-ZWNOBZJWSA-N 1 0 278.308 1.836 20 5 CDBDRO Cc1nc(N2CC[N@@H+](C)CC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000450330750 358891890 /nfs/dbraw/zinc/89/18/90/358891890.db2.gz POCVDBASTFIYAP-VIFPVBQESA-N 1 0 265.317 1.224 20 5 CDBDRO CC[N@H+](C[C@H](C)OC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000291317002 358929251 /nfs/dbraw/zinc/92/92/51/358929251.db2.gz UGVPAQWBRIMNEW-SMDDNHRTSA-N 1 0 282.340 1.985 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(O)CCOC1 ZINC000539044173 358943242 /nfs/dbraw/zinc/94/32/42/358943242.db2.gz KFSLDTSDOGXKLH-SMDDNHRTSA-N 1 0 280.324 1.705 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000132616280 358945928 /nfs/dbraw/zinc/94/59/28/358945928.db2.gz RAOLHMGRPYIZPB-ZETCQYMHSA-N 1 0 271.704 1.715 20 5 CDBDRO Cc1c(C(=O)NC[C@@H]2CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000104189544 358949698 /nfs/dbraw/zinc/94/96/98/358949698.db2.gz LUKLDAIVPDNMJU-NSHDSACASA-N 1 0 277.324 1.585 20 5 CDBDRO C[C@@H]([NH2+]C[C@H]1CN(C)C(=O)O1)c1ccccc1[N+](=O)[O-] ZINC000496250480 358958618 /nfs/dbraw/zinc/95/86/18/358958618.db2.gz AQUQWPZPJRNOGX-ZJUUUORDSA-N 1 0 279.296 1.696 20 5 CDBDRO C[N@H+](CC[C@H]1CCCO1)CCn1cc([N+](=O)[O-])cn1 ZINC000342590405 359125481 /nfs/dbraw/zinc/12/54/81/359125481.db2.gz CNDVWNSWOFXTOK-GFCCVEGCSA-N 1 0 268.317 1.292 20 5 CDBDRO C[C@@H](Cn1cccn1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000049075683 359249627 /nfs/dbraw/zinc/24/96/27/359249627.db2.gz LYOSBMKCJZYROS-LBPRGKRZSA-N 1 0 290.323 1.848 20 5 CDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1csc([N+](=O)[O-])c1 ZINC000111828961 359267027 /nfs/dbraw/zinc/26/70/27/359267027.db2.gz HNFUNBSHGUJCAF-VIFPVBQESA-N 1 0 271.342 1.760 20 5 CDBDRO C[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000050163908 359352469 /nfs/dbraw/zinc/35/24/69/359352469.db2.gz DWYRDJVVWROAEW-KOLCDFICSA-N 1 0 292.339 1.494 20 5 CDBDRO Cn1c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000339671733 359425903 /nfs/dbraw/zinc/42/59/03/359425903.db2.gz QARJZKMUYUOZNU-MNOVXSKESA-N 1 0 292.339 1.290 20 5 CDBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000353190644 359581123 /nfs/dbraw/zinc/58/11/23/359581123.db2.gz OLRNCPLZCPRLGA-ZIAGYGMSSA-N 1 0 280.324 1.878 20 5 CDBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCSCC2)nc1 ZINC000226230540 359663953 /nfs/dbraw/zinc/66/39/53/359663953.db2.gz WDGACRIQMLEZCH-UHFFFAOYSA-N 1 0 268.342 1.451 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000089091363 283517389 /nfs/dbraw/zinc/51/73/89/283517389.db2.gz XFOIRGXGPVPNAO-ZYHUDNBSSA-N 1 0 263.297 1.452 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235430229 360103709 /nfs/dbraw/zinc/10/37/09/360103709.db2.gz FIWUXKJEGWIOLV-ZYHUDNBSSA-N 1 0 277.324 1.394 20 5 CDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[NH2+]1 ZINC000237891357 360087863 /nfs/dbraw/zinc/08/78/63/360087863.db2.gz DYLRFOZZAHYPPA-LBPRGKRZSA-N 1 0 277.324 1.396 20 5 CDBDRO [NH3+]CCCC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000237914500 360125093 /nfs/dbraw/zinc/12/50/93/360125093.db2.gz XNOXVZGWRCUVRD-UHFFFAOYSA-N 1 0 279.340 1.773 20 5 CDBDRO COC[C@H](O)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000153739974 360221945 /nfs/dbraw/zinc/22/19/45/360221945.db2.gz CELVQQPGRLASOC-LLVKDONJSA-N 1 0 254.286 1.082 20 5 CDBDRO Cn1c(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000487447296 360371000 /nfs/dbraw/zinc/37/10/00/360371000.db2.gz VLVYCEJGEGEVFZ-WDEREUQCSA-N 1 0 294.355 1.536 20 5 CDBDRO Cc1cnn([C@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000289709515 360371139 /nfs/dbraw/zinc/37/11/39/360371139.db2.gz CFKGISHMQMGDLX-LBPRGKRZSA-N 1 0 290.327 1.243 20 5 CDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccccc1C[NH3+] ZINC001579869126 1172285254 /nfs/dbraw/zinc/28/52/54/1172285254.db2.gz SCVZLUVIOQGPMK-UHFFFAOYSA-N 1 0 289.295 1.197 20 5 CDBDRO Cc1nn(C)c(NC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000047331239 361028953 /nfs/dbraw/zinc/02/89/53/361028953.db2.gz ILWHWKKQTADXIA-UHFFFAOYSA-N 1 0 279.344 1.675 20 5 CDBDRO COc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)cc1[N+](=O)[O-] ZINC000168368199 361166267 /nfs/dbraw/zinc/16/62/67/361166267.db2.gz CLIFASQEWXSLJQ-CMPLNLGQSA-N 1 0 280.324 1.806 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1[nH]nc(CCC)c1[N+](=O)[O-] ZINC000236877054 361389432 /nfs/dbraw/zinc/38/94/32/361389432.db2.gz SGXXCDYQOHZKHB-VIFPVBQESA-N 1 0 297.359 1.518 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000053253056 361403274 /nfs/dbraw/zinc/40/32/74/361403274.db2.gz SSZRDIVLMIQUAU-SNVBAGLBSA-N 1 0 263.297 1.385 20 5 CDBDRO C[C@H]([N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000295211001 239304311 /nfs/dbraw/zinc/30/43/11/239304311.db2.gz UQWBUFKBMFAJNQ-GWCFXTLKSA-N 1 0 282.340 1.719 20 5 CDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[NH+](C)C ZINC000037985606 363963018 /nfs/dbraw/zinc/96/30/18/363963018.db2.gz JRXWXQYZQIFOMB-QMMMGPOBSA-N 1 0 285.731 1.928 20 5 CDBDRO O=C(CC[C@@H]1CCC[NH2+]1)NCCc1ccccc1[N+](=O)[O-] ZINC000292077095 283790095 /nfs/dbraw/zinc/79/00/95/283790095.db2.gz LTLRHFWNBCKUKJ-ZDUSSCGKSA-N 1 0 291.351 1.786 20 5 CDBDRO C[NH2+]CCCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000121473921 365198184 /nfs/dbraw/zinc/19/81/84/365198184.db2.gz JRKZQVPIVAIHAF-UHFFFAOYSA-N 1 0 294.355 1.513 20 5 CDBDRO CC[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000270827370 366934455 /nfs/dbraw/zinc/93/44/55/366934455.db2.gz CCEPHEFGYCCQRQ-OCCSQVGLSA-N 1 0 264.325 1.840 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000414661463 241307019 /nfs/dbraw/zinc/30/70/19/241307019.db2.gz XIXOMRYAKXPKCP-VIFPVBQESA-N 1 0 294.311 1.429 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1C[NH2+]C1 ZINC000414660974 241307943 /nfs/dbraw/zinc/30/79/43/241307943.db2.gz PHNWXSJZXBCOJQ-UHFFFAOYSA-N 1 0 264.285 1.244 20 5 CDBDRO Cc1c(NC(=O)N(C)C2C[NH2+]C2)cccc1[N+](=O)[O-] ZINC000414718625 241350600 /nfs/dbraw/zinc/35/06/00/241350600.db2.gz ZMIQOSAEECNFCQ-UHFFFAOYSA-N 1 0 264.285 1.339 20 5 CDBDRO C[N@H+]1CC=C(CNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000271927704 367036556 /nfs/dbraw/zinc/03/65/56/367036556.db2.gz LUZFWJFURZPGNE-UHFFFAOYSA-N 1 0 290.323 1.169 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCC[NH2+]1 ZINC000414854191 241420262 /nfs/dbraw/zinc/42/02/62/241420262.db2.gz YTDRIJGYXSXRGE-LBPRGKRZSA-N 1 0 279.340 1.835 20 5 CDBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000166697651 283963744 /nfs/dbraw/zinc/96/37/44/283963744.db2.gz WJWATXPSYFLWDL-LLVKDONJSA-N 1 0 263.297 1.467 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000272311579 367676565 /nfs/dbraw/zinc/67/65/65/367676565.db2.gz RZVMIZITDXSZCZ-WDEREUQCSA-N 1 0 293.323 1.169 20 5 CDBDRO CC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C[C@H](C)O ZINC000348710273 367697444 /nfs/dbraw/zinc/69/74/44/367697444.db2.gz OIONMODJAPMKTF-JTQLQIEISA-N 1 0 298.339 1.815 20 5 CDBDRO CC[NH+]1CCC(NC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272428158 367731487 /nfs/dbraw/zinc/73/14/87/367731487.db2.gz KZTPHRULYOBVRT-UHFFFAOYSA-N 1 0 292.339 1.391 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\CN[C@H]1CCC[NH2+]C1 ZINC000414861092 370897920 /nfs/dbraw/zinc/89/79/20/370897920.db2.gz DXMPMRUOQOJAAL-RJNRQISESA-N 1 0 261.325 1.950 20 5 CDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1[N+](=O)[O-] ZINC000269302131 368253837 /nfs/dbraw/zinc/25/38/37/368253837.db2.gz XZSKTHOUTIKPKK-BDAKNGLRSA-N 1 0 295.343 1.080 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000418532805 243187072 /nfs/dbraw/zinc/18/70/72/243187072.db2.gz UDUAOHVMMCCHDP-JTQLQIEISA-N 1 0 294.355 1.866 20 5 CDBDRO O=C(CC[NH2+]C1CC1)NCCNc1ccccc1[N+](=O)[O-] ZINC000564226324 368503383 /nfs/dbraw/zinc/50/33/83/368503383.db2.gz UUZMGJBKCYEKSM-UHFFFAOYSA-N 1 0 292.339 1.265 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000420294327 244038171 /nfs/dbraw/zinc/03/81/71/244038171.db2.gz ZAUFNRSGWNKEFY-VHSXEESVSA-N 1 0 250.302 1.341 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+][C@H](C)C1 ZINC000420332078 244096888 /nfs/dbraw/zinc/09/68/88/244096888.db2.gz FXSKJOGIDIGPNC-LLVKDONJSA-N 1 0 292.339 1.135 20 5 CDBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330928834 203397076 /nfs/dbraw/zinc/39/70/76/203397076.db2.gz MANFAGLJZYOULL-OLZOCXBDSA-N 1 0 296.371 1.663 20 5 CDBDRO COc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000351836722 369782346 /nfs/dbraw/zinc/78/23/46/369782346.db2.gz WYMHDTRBZSWPJN-GXFFZTMASA-N 1 0 296.323 1.295 20 5 CDBDRO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668578 369784962 /nfs/dbraw/zinc/78/49/62/369784962.db2.gz SPIJCBVIGAPDJO-SNVBAGLBSA-N 1 0 265.313 1.598 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000161315581 369888742 /nfs/dbraw/zinc/88/87/42/369888742.db2.gz WOCUIMKJEGBHDC-IUCAKERBSA-N 1 0 281.287 1.734 20 5 CDBDRO C[NH2+]CCCC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766550 370079270 /nfs/dbraw/zinc/07/92/70/370079270.db2.gz UKPPYGAGKDWFNZ-JTQLQIEISA-N 1 0 265.313 1.772 20 5 CDBDRO O=C(N[C@H]1CC[NH2+]C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178455561 284205102 /nfs/dbraw/zinc/20/51/02/284205102.db2.gz FDZAMOYKLFBHBV-VIFPVBQESA-N 1 0 291.332 1.901 20 5 CDBDRO [NH3+]C[C@@H]1C[C@@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001580323968 1172402379 /nfs/dbraw/zinc/40/23/79/1172402379.db2.gz VPZQVWIKUJJODK-ONGXEEELSA-N 1 0 297.742 1.502 20 5 CDBDRO Cc1c(CC(=O)NCC[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000422799898 245268999 /nfs/dbraw/zinc/26/89/99/245268999.db2.gz AGYBWLJBGBKFHQ-GFCCVEGCSA-N 1 0 291.351 1.562 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235690595 189830127 /nfs/dbraw/zinc/83/01/27/189830127.db2.gz JYPMFWCQHACUOH-CBAPKCEASA-N 1 0 269.326 1.527 20 5 CDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000368200423 371907633 /nfs/dbraw/zinc/90/76/33/371907633.db2.gz JHCNQYHWUAWKLE-UWVGGRQHSA-N 1 0 267.260 1.025 20 5 CDBDRO Cc1c(CC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC000237613112 371933523 /nfs/dbraw/zinc/93/35/23/371933523.db2.gz FRZNGFPPCFDMPY-WDEREUQCSA-N 1 0 291.351 1.655 20 5 CDBDRO COc1c(C(=O)NCCN2CCC2)cccc1[N+](=O)[O-] ZINC000356521443 372929301 /nfs/dbraw/zinc/92/93/01/372929301.db2.gz SZNXPLWVOMRIJG-UHFFFAOYSA-N 1 0 279.296 1.039 20 5 CDBDRO CCc1nn(C)c(NCC(C)(C)[NH+](C)C)c1[N+](=O)[O-] ZINC000091561278 374042883 /nfs/dbraw/zinc/04/28/83/374042883.db2.gz JMSFTXOJFHRWAZ-UHFFFAOYSA-N 1 0 269.349 1.643 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@H+](C)C(C)C ZINC000311688630 374263427 /nfs/dbraw/zinc/26/34/27/374263427.db2.gz KMCFEGYCESDSNN-UHFFFAOYSA-N 1 0 269.349 1.872 20 5 CDBDRO Cc1nn(C)c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000301722974 374249402 /nfs/dbraw/zinc/24/94/02/374249402.db2.gz RXWNYEIDPBRKND-NWDGAFQWSA-N 1 0 293.371 1.557 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H]3C[C@@H](O)C3)C2)nc1 ZINC000420935033 374304034 /nfs/dbraw/zinc/30/40/34/374304034.db2.gz LEOJALYIZPAQCF-WZRBSPASSA-N 1 0 292.339 1.247 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000313641552 374351548 /nfs/dbraw/zinc/35/15/48/374351548.db2.gz IDZCUDGFUGPZOC-DHHDDZJSSA-N 1 0 277.324 1.852 20 5 CDBDRO COc1ccc(NC(=O)CN2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000299683814 374403125 /nfs/dbraw/zinc/40/31/25/374403125.db2.gz WNHHRQLAYTVYGV-SNVBAGLBSA-N 1 0 293.323 1.884 20 5 CDBDRO Cc1c(CC(=O)N(C)[C@@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000423947367 246244580 /nfs/dbraw/zinc/24/45/80/246244580.db2.gz KOJJXXXJSZDICF-AWEZNQCLSA-N 1 0 291.351 1.641 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)[C@]2(F)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000376694461 374566955 /nfs/dbraw/zinc/56/69/55/374566955.db2.gz HNANICHNXRXGGD-YGRLFVJLSA-N 1 0 295.314 1.782 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000377503918 374605481 /nfs/dbraw/zinc/60/54/81/374605481.db2.gz GWDUANYQLKLCKN-SNVBAGLBSA-N 1 0 293.323 1.301 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)OCCO ZINC000449327759 374799526 /nfs/dbraw/zinc/79/95/26/374799526.db2.gz GAJAUBHKKBTLRD-GFCCVEGCSA-N 1 0 296.367 1.903 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000331418598 374949905 /nfs/dbraw/zinc/94/99/05/374949905.db2.gz QYRIWNBUPMAOGM-JTQLQIEISA-N 1 0 292.339 1.670 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H]3CCOC3)C2)nc1 ZINC000331422509 374950191 /nfs/dbraw/zinc/95/01/91/374950191.db2.gz LCGKAYOYEWLTFN-RYUDHWBXSA-N 1 0 292.339 1.513 20 5 CDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CC[NH2+]C[C@H]1F ZINC001580570146 1172470092 /nfs/dbraw/zinc/47/00/92/1172470092.db2.gz OIZGMVPNUSMZEI-MNOVXSKESA-N 1 0 299.277 1.093 20 5 CDBDRO CC[C@](C)(O)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000096478761 375105069 /nfs/dbraw/zinc/10/50/69/375105069.db2.gz NCCXENMDUPAOJC-ZDUSSCGKSA-N 1 0 268.313 1.854 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCO ZINC000347336611 375573857 /nfs/dbraw/zinc/57/38/57/375573857.db2.gz BDJPAWBIDOODPY-FLIBITNWSA-N 1 0 250.298 1.922 20 5 CDBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000353159210 375581873 /nfs/dbraw/zinc/58/18/73/375581873.db2.gz XLMIWYNIDSILSQ-GHMZBOCLSA-N 1 0 286.353 1.940 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217361519 375622777 /nfs/dbraw/zinc/62/27/77/375622777.db2.gz WMFBHWQZAYYNMT-ZJUUUORDSA-N 1 0 265.317 1.367 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CCC[N@H+](C)C1 ZINC000356816182 375862956 /nfs/dbraw/zinc/86/29/56/375862956.db2.gz PKJCYVJYFLTCPC-JTQLQIEISA-N 1 0 280.328 1.100 20 5 CDBDRO C[C@@H]1[C@H](C)N(CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000357064872 375881526 /nfs/dbraw/zinc/88/15/26/375881526.db2.gz JREOIKJIRWOQNM-OLZOCXBDSA-N 1 0 293.367 1.998 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[NH2+]CCO2)c1 ZINC000134272841 375946409 /nfs/dbraw/zinc/94/64/09/375946409.db2.gz CXLPJHOWBYYRDB-JTQLQIEISA-N 1 0 251.286 1.304 20 5 CDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261795619 190044776 /nfs/dbraw/zinc/04/47/76/190044776.db2.gz YGZBAQXHEVLJJH-SKDRFNHKSA-N 1 0 293.298 1.558 20 5 CDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCC[C@@H]1CC[NH2+]C1 ZINC000262592528 190058141 /nfs/dbraw/zinc/05/81/41/190058141.db2.gz SBINCRYPRHZGJZ-NSHDSACASA-N 1 0 292.339 1.123 20 5 CDBDRO COc1ccc(C[NH2+]CCOCC(F)F)cc1[N+](=O)[O-] ZINC000190902198 376758046 /nfs/dbraw/zinc/75/80/46/376758046.db2.gz DIUBSSAKLOXODP-UHFFFAOYSA-N 1 0 290.266 1.975 20 5 CDBDRO O=C1CCC[C@@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])N1 ZINC000433189852 248005302 /nfs/dbraw/zinc/00/53/02/248005302.db2.gz DZEMHLSFRZVQAM-BPJJOFIESA-N 1 0 289.335 1.866 20 5 CDBDRO COc1ccc(C[NH2+]C[C@H]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000188857762 377097378 /nfs/dbraw/zinc/09/73/78/377097378.db2.gz MGYJPAHNCZBRGA-JQWIXIFHSA-N 1 0 280.324 1.854 20 5 CDBDRO Cc1cccc(C(=O)N[C@@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000264916052 190144156 /nfs/dbraw/zinc/14/41/56/190144156.db2.gz ONYYXJKEMIDURZ-NSHDSACASA-N 1 0 279.340 1.973 20 5 CDBDRO COC[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000265737097 190203247 /nfs/dbraw/zinc/20/32/47/190203247.db2.gz BFEWXJDXDJAWML-SNVBAGLBSA-N 1 0 293.323 1.162 20 5 CDBDRO CC(C)S(=O)(=O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000232789922 377925032 /nfs/dbraw/zinc/92/50/32/377925032.db2.gz UVPIARXZILTQQG-UHFFFAOYSA-N 1 0 286.353 1.508 20 5 CDBDRO CN(c1ncccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000265969487 190219372 /nfs/dbraw/zinc/21/93/72/190219372.db2.gz AWSNWGHNIXQJNO-JTQLQIEISA-N 1 0 250.302 1.520 20 5 CDBDRO C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000173329039 378164828 /nfs/dbraw/zinc/16/48/28/378164828.db2.gz ZDWJIKSZJKTTIF-SECBINFHSA-N 1 0 265.313 1.757 20 5 CDBDRO O=C(Oc1cccc([N+](=O)[O-])c1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC001580804494 1172544763 /nfs/dbraw/zinc/54/47/63/1172544763.db2.gz SGWUTCZDXZNVLM-TZMCWYRMSA-N 1 0 276.292 1.890 20 5 CDBDRO COc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000278785590 194154003 /nfs/dbraw/zinc/15/40/03/194154003.db2.gz PUEWFYZRWWAKTA-AOOOYVTPSA-N 1 0 295.314 1.740 20 5 CDBDRO COc1ccc(C(=O)N2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000041028663 379249396 /nfs/dbraw/zinc/24/93/96/379249396.db2.gz RIBCLGXACRJLHL-JTQLQIEISA-N 1 0 279.296 1.167 20 5 CDBDRO NC(=O)C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000266997019 190296279 /nfs/dbraw/zinc/29/62/79/190296279.db2.gz BLCOQRGVYFTASI-SNVBAGLBSA-N 1 0 295.314 1.821 20 5 CDBDRO CSc1ccc(C(=O)N(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000267158076 190307678 /nfs/dbraw/zinc/30/76/78/190307678.db2.gz YFCRQIXLZZMROA-UHFFFAOYSA-N 1 0 297.380 1.950 20 5 CDBDRO CCNC(=O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449223726 250753062 /nfs/dbraw/zinc/75/30/62/250753062.db2.gz YRKSAOSZVXEEBW-SNVBAGLBSA-N 1 0 265.313 1.252 20 5 CDBDRO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000268188901 190384845 /nfs/dbraw/zinc/38/48/45/190384845.db2.gz RYAZWFCAHGDRPA-SECBINFHSA-N 1 0 283.353 1.823 20 5 CDBDRO CCC[C@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450557882 251338712 /nfs/dbraw/zinc/33/87/12/251338712.db2.gz BZAICDLEPHMVPN-AAEUAGOBSA-N 1 0 294.355 1.637 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000491637272 253093892 /nfs/dbraw/zinc/09/38/92/253093892.db2.gz IHEOUHDHUUQTLD-URWSZGRFSA-N 1 0 289.335 1.676 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC[NH2+]CC2)c2ccncc21 ZINC000035332256 285122891 /nfs/dbraw/zinc/12/28/91/285122891.db2.gz VCTVNNCCSNRHSR-UHFFFAOYSA-N 1 0 272.308 1.943 20 5 CDBDRO C[C@@H](NC[C@H](O)C[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000289312479 197293290 /nfs/dbraw/zinc/29/32/90/197293290.db2.gz FDQZDDXJNJIVKM-ABAIWWIYSA-N 1 0 293.367 1.701 20 5 CDBDRO C[N@H+](C[C@H](O)CN1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000289309305 197292070 /nfs/dbraw/zinc/29/20/70/197292070.db2.gz DUHQGYSDYKADOC-LBPRGKRZSA-N 1 0 291.351 1.412 20 5 CDBDRO CSCCC[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000281323819 195197601 /nfs/dbraw/zinc/19/76/01/195197601.db2.gz IXOTWVDVKQTLNB-UHFFFAOYSA-N 1 0 258.347 1.476 20 5 CDBDRO COc1ccc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000094339356 184783617 /nfs/dbraw/zinc/78/36/17/184783617.db2.gz OAIPZDGFZFCBNB-ONGXEEELSA-N 1 0 293.323 1.413 20 5 CDBDRO COc1ccc(OCC[N@@H+](C)C[C@H](C)OC)c([N+](=O)[O-])c1 ZINC000285874501 390186334 /nfs/dbraw/zinc/18/63/34/390186334.db2.gz YJVDQKVDBDFJNL-NSHDSACASA-N 1 0 298.339 1.949 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NCC[N@H+](C)C1CCCC1 ZINC000071377608 390487566 /nfs/dbraw/zinc/48/75/66/390487566.db2.gz VFRASDJMXBLDQL-UHFFFAOYSA-N 1 0 267.333 1.615 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](N(C)c2ncccc2[N+](=O)[O-])C1 ZINC000450953094 390581831 /nfs/dbraw/zinc/58/18/31/390581831.db2.gz WYWQNIHRGUGUTB-NSHDSACASA-N 1 0 264.329 1.909 20 5 CDBDRO C[C@H]1COCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000371100583 390536983 /nfs/dbraw/zinc/53/69/83/390536983.db2.gz PGJKUTQLCBCQEN-RISCZKNCSA-N 1 0 280.324 1.597 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000338421962 390662518 /nfs/dbraw/zinc/66/25/18/390662518.db2.gz FMHNAWAXSUIFQB-UHFFFAOYSA-N 1 0 265.313 1.665 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000178567589 390660385 /nfs/dbraw/zinc/66/03/85/390660385.db2.gz KOSGGHVLBPYABG-SECBINFHSA-N 1 0 263.297 1.339 20 5 CDBDRO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000517556300 391165414 /nfs/dbraw/zinc/16/54/14/391165414.db2.gz IYZSKCCDFROJJP-TZMCWYRMSA-N 1 0 296.371 1.877 20 5 CDBDRO O=[N+]([O-])c1cccc(CNC[C@H]2C[NH2+]CCCO2)c1 ZINC000415030066 391247672 /nfs/dbraw/zinc/24/76/72/391247672.db2.gz BSDJQFYRYWQZFZ-CYBMUJFWSA-N 1 0 265.313 1.063 20 5 CDBDRO Cc1cc(NCC[C@@H]2CCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC000413433881 391214063 /nfs/dbraw/zinc/21/40/63/391214063.db2.gz FJQAWMIKVQXHQI-LBPRGKRZSA-N 1 0 278.356 1.864 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000415378184 391377495 /nfs/dbraw/zinc/37/74/95/391377495.db2.gz BYSSDWNFLGZNEI-ZJUUUORDSA-N 1 0 293.327 1.051 20 5 CDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@@H]1CCCC[NH2+]C1 ZINC000415637236 391470162 /nfs/dbraw/zinc/47/01/62/391470162.db2.gz ZYRDHPHYKUZTQK-SNVBAGLBSA-N 1 0 296.302 1.998 20 5 CDBDRO C[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000415634259 391470268 /nfs/dbraw/zinc/47/02/68/391470268.db2.gz SDWFNBOVWWCFQW-PELKAZGASA-N 1 0 296.302 1.935 20 5 CDBDRO Cc1cc(S(=O)(=O)N2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000237782104 391490225 /nfs/dbraw/zinc/49/02/25/391490225.db2.gz YPBFSFLFLIMBFJ-UHFFFAOYSA-N 1 0 299.352 1.015 20 5 CDBDRO Cn1c2ccccc2nc1CCn1ccc(=O)c([N+](=O)[O-])c1 ZINC000345625252 391643029 /nfs/dbraw/zinc/64/30/29/391643029.db2.gz HHUMDVQASIBOPM-UHFFFAOYSA-N 1 0 298.302 1.886 20 5 CDBDRO O=C1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000568040989 391572759 /nfs/dbraw/zinc/57/27/59/391572759.db2.gz JUEUOSQSDXYYOR-GFCCVEGCSA-N 1 0 289.335 1.695 20 5 CDBDRO C[C@@H](CO)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)CC1CCC1 ZINC000361502102 391693202 /nfs/dbraw/zinc/69/32/02/391693202.db2.gz VLFIVELYEFSXDD-JTQLQIEISA-N 1 0 282.344 1.311 20 5 CDBDRO C[C@@H](NCC1([NH3+])CCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000342121939 130279511 /nfs/dbraw/zinc/27/95/11/130279511.db2.gz HAPUOKRQZYKAQO-SNVBAGLBSA-N 1 0 292.339 1.393 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000238061800 391862136 /nfs/dbraw/zinc/86/21/36/391862136.db2.gz SQFNSNBUJCNFNR-NSHDSACASA-N 1 0 293.323 1.171 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357043539 391937376 /nfs/dbraw/zinc/93/73/76/391937376.db2.gz GMHZJUMUNDLYBG-TZMCWYRMSA-N 1 0 275.352 1.945 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H]1CN(C)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000495790594 391914621 /nfs/dbraw/zinc/91/46/21/391914621.db2.gz AKTICZJQYVTGHP-BXKDBHETSA-N 1 0 279.296 1.696 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000416305118 391985207 /nfs/dbraw/zinc/98/52/07/391985207.db2.gz WGWQXIBMJXEKGP-UHFFFAOYSA-N 1 0 269.326 1.480 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235666573 130952505 /nfs/dbraw/zinc/95/25/05/130952505.db2.gz FIWUXKJEGWIOLV-JQWIXIFHSA-N 1 0 277.324 1.394 20 5 CDBDRO CC(C)[N@H+](C)CCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420578702 392919787 /nfs/dbraw/zinc/91/97/87/392919787.db2.gz BJQCWEDCIAMRLF-UHFFFAOYSA-N 1 0 280.328 1.446 20 5 CDBDRO [NH3+][C@H]1Cc2ccccc2N(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000420402327 392917808 /nfs/dbraw/zinc/91/78/08/392917808.db2.gz LZBRVRVTMNHFFP-LBPRGKRZSA-N 1 0 287.323 1.181 20 5 CDBDRO CC(C)(NC(=O)NCC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000418301397 392879103 /nfs/dbraw/zinc/87/91/03/392879103.db2.gz YICFSHSQGYUDFN-UHFFFAOYSA-N 1 0 266.301 1.088 20 5 CDBDRO [NH3+]CCOCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000420370714 392917938 /nfs/dbraw/zinc/91/79/38/392917938.db2.gz YYKPIQBKSQQSGX-UHFFFAOYSA-N 1 0 279.340 1.535 20 5 CDBDRO COc1ccc(C[NH2+]CC2(CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000421349800 392931326 /nfs/dbraw/zinc/93/13/26/392931326.db2.gz JLWXKDLEDJJDQQ-UHFFFAOYSA-N 1 0 293.323 1.349 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH3+])c1 ZINC000423586304 392964025 /nfs/dbraw/zinc/96/40/25/392964025.db2.gz CIDQWKINTGOFDN-QMMMGPOBSA-N 1 0 267.285 1.071 20 5 CDBDRO CCOc1ccc([C@H](C)NCC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000423307399 392960055 /nfs/dbraw/zinc/96/00/55/392960055.db2.gz VXMHUKHGUGGLGE-JTQLQIEISA-N 1 0 279.340 1.864 20 5 CDBDRO C[C@@H]1CC[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000429587338 393082847 /nfs/dbraw/zinc/08/28/47/393082847.db2.gz FRVACHFIVNPEKH-MNOVXSKESA-N 1 0 252.318 1.912 20 5 CDBDRO COc1ccc(CNC(=O)C(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000429912405 393088919 /nfs/dbraw/zinc/08/89/19/393088919.db2.gz ABFGUYMCKZUQJL-UHFFFAOYSA-N 1 0 281.312 1.205 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C[C@H](C)O)[C@H](C)CO ZINC000430198146 393090623 /nfs/dbraw/zinc/09/06/23/393090623.db2.gz YBSMTTRBDJPWLV-MNOVXSKESA-N 1 0 298.339 1.167 20 5 CDBDRO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H](C)[NH2+]1 ZINC000430932990 393105539 /nfs/dbraw/zinc/10/55/39/393105539.db2.gz IHHRPDNOLFTTCX-AOOOYVTPSA-N 1 0 290.323 1.918 20 5 CDBDRO C[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000532214820 393069148 /nfs/dbraw/zinc/06/91/48/393069148.db2.gz NEJRZSQNRPEVAZ-CHWSQXEVSA-N 1 0 293.367 1.966 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC1 ZINC000449196223 393131732 /nfs/dbraw/zinc/13/17/32/393131732.db2.gz WXXHJABZYPKJTF-ZYHUDNBSSA-N 1 0 250.298 1.904 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000449567806 393135613 /nfs/dbraw/zinc/13/56/13/393135613.db2.gz VZUYHKCCOKMWMW-SSDOTTSWSA-N 1 0 284.291 1.173 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000449636973 393137847 /nfs/dbraw/zinc/13/78/47/393137847.db2.gz FPZAVUZLNQOFAO-PWSUYJOCSA-N 1 0 277.324 1.842 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000449750389 393140999 /nfs/dbraw/zinc/14/09/99/393140999.db2.gz IWYMZOWOTYNMKK-GFCCVEGCSA-N 1 0 293.323 1.230 20 5 CDBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1CC(C)(C)O ZINC000275644464 135110573 /nfs/dbraw/zinc/11/05/73/135110573.db2.gz WVGJDEZOVPDINL-NSHDSACASA-N 1 0 294.355 1.271 20 5 CDBDRO Cc1c(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000132003230 139846979 /nfs/dbraw/zinc/84/69/79/139846979.db2.gz VNPTVXWHYUQRBQ-GXSJLCMTSA-N 1 0 277.324 1.713 20 5 CDBDRO C[NH+]1CCC(CNc2ncc([N+](=O)[O-])s2)CC1 ZINC000189685169 140120783 /nfs/dbraw/zinc/12/07/83/140120783.db2.gz ZVTYMSVQYIHLDH-UHFFFAOYSA-N 1 0 256.331 1.805 20 5 CDBDRO Cc1c(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000193600134 140147202 /nfs/dbraw/zinc/14/72/02/140147202.db2.gz UWYQKRDEKLJNFP-OKILXGFUSA-N 1 0 275.352 1.897 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000217315948 140162899 /nfs/dbraw/zinc/16/28/99/140162899.db2.gz MBHXJDDVFTYFBJ-NSHDSACASA-N 1 0 293.323 1.467 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)cccc1[N+](=O)[O-] ZINC000231856049 140219460 /nfs/dbraw/zinc/21/94/60/140219460.db2.gz FYDLMXPOUORDEG-GWCFXTLKSA-N 1 0 291.351 1.908 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])s1 ZINC000232237259 140222284 /nfs/dbraw/zinc/22/22/84/140222284.db2.gz BLEIZNLLVUQMSL-MRVPVSSYSA-N 1 0 269.326 1.528 20 5 CDBDRO C[NH2+]C[C@H](C)CNc1ncc([N+](=O)[O-])cc1Cl ZINC000234396033 140229156 /nfs/dbraw/zinc/22/91/56/140229156.db2.gz HGXWYYOAKZVFRW-ZETCQYMHSA-N 1 0 258.709 1.911 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@H](CO)C1 ZINC000255845699 140336116 /nfs/dbraw/zinc/33/61/16/140336116.db2.gz NHGOUUOXSARHRP-FHMRSRPSSA-N 1 0 262.309 1.922 20 5 CDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000261596207 140360583 /nfs/dbraw/zinc/36/05/83/140360583.db2.gz DLHLQNDWZNDDMA-GFCCVEGCSA-N 1 0 279.340 1.627 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000129439800 147625310 /nfs/dbraw/zinc/62/53/10/147625310.db2.gz XKMJLNLQKZHKBH-SECBINFHSA-N 1 0 266.301 1.572 20 5 CDBDRO CSc1ccc(C(=O)NCC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000178673283 148071646 /nfs/dbraw/zinc/07/16/46/148071646.db2.gz IPDXBOCROQOXNL-MRVPVSSYSA-N 1 0 283.353 1.784 20 5 CDBDRO C[C@@H]1[NH2+]CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000262763070 149111512 /nfs/dbraw/zinc/11/15/12/149111512.db2.gz IULFBGWWZARNJO-QWRGUYRKSA-N 1 0 292.339 1.216 20 5 CDBDRO C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000305769029 149158413 /nfs/dbraw/zinc/15/84/13/149158413.db2.gz VSBNXKPUPPBVPH-SMDDNHRTSA-N 1 0 280.324 1.676 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000313971631 149249992 /nfs/dbraw/zinc/24/99/92/149249992.db2.gz UDYYFMXCWUIAKM-NSHDSACASA-N 1 0 295.314 1.900 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000334041756 149305845 /nfs/dbraw/zinc/30/58/45/149305845.db2.gz BQUJAPHEJRRLOR-KOLCDFICSA-N 1 0 292.339 1.511 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000459493551 286249616 /nfs/dbraw/zinc/24/96/16/286249616.db2.gz ZKZXGLAFEWHNBY-CQSZACIVSA-N 1 0 295.339 1.593 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000343419340 152165454 /nfs/dbraw/zinc/16/54/54/152165454.db2.gz QAHHQDWDWDQIED-WCQYABFASA-N 1 0 291.351 1.941 20 5 CDBDRO COc1ccc(CN2CC[NH2+][C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000346684194 153271932 /nfs/dbraw/zinc/27/19/32/153271932.db2.gz RJIINFYZSLPBDA-GHMZBOCLSA-N 1 0 279.340 1.786 20 5 CDBDRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000347045501 153391884 /nfs/dbraw/zinc/39/18/84/153391884.db2.gz NSPAZBGALTWQPD-ZWNOBZJWSA-N 1 0 278.308 1.978 20 5 CDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000354006126 156220026 /nfs/dbraw/zinc/22/00/26/156220026.db2.gz KRYRSVMFHPFFJV-GFCCVEGCSA-N 1 0 291.351 1.690 20 5 CDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@]12CC[NH2+]C2 ZINC000376245506 160464076 /nfs/dbraw/zinc/46/40/76/160464076.db2.gz RWEWZGPSEAETJB-WFASDCNBSA-N 1 0 289.335 1.253 20 5 CDBDRO CC(C)[C@H](CO)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000359809362 158385265 /nfs/dbraw/zinc/38/52/65/158385265.db2.gz NOGHYGKFGXYZCM-ZDUSSCGKSA-N 1 0 268.313 1.580 20 5 CDBDRO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000362083891 159065639 /nfs/dbraw/zinc/06/56/39/159065639.db2.gz BVGWHCLFODJPOA-VXGBXAGGSA-N 1 0 280.324 1.534 20 5 CDBDRO CCOc1cc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000362683740 159213174 /nfs/dbraw/zinc/21/31/74/159213174.db2.gz MJAMCAMLHXVWSB-RYUDHWBXSA-N 1 0 291.351 1.991 20 5 CDBDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000362861808 159255364 /nfs/dbraw/zinc/25/53/64/159255364.db2.gz GDPPLFZMJVMQOR-AAEUAGOBSA-N 1 0 291.351 1.451 20 5 CDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000367791470 159536988 /nfs/dbraw/zinc/53/69/88/159536988.db2.gz JKCVYLFYXGVUDL-NWDGAFQWSA-N 1 0 293.371 1.387 20 5 CDBDRO Cc1cccc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)c1[N+](=O)[O-] ZINC000189314489 292427761 /nfs/dbraw/zinc/42/77/61/292427761.db2.gz KTYZBEQYXKTDNX-JQWIXIFHSA-N 1 0 277.324 1.774 20 5 CDBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000036793811 287063292 /nfs/dbraw/zinc/06/32/92/287063292.db2.gz ZSICAPYZPVIKEX-NXEZZACHSA-N 1 0 265.313 1.722 20 5 CDBDRO CC(C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285101958 196197212 /nfs/dbraw/zinc/19/72/12/196197212.db2.gz KJBVLZHKFPLCKE-ZANVPECISA-N 1 0 267.329 1.845 20 5 CDBDRO Cc1c(CNCCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000035648776 172325113 /nfs/dbraw/zinc/32/51/13/172325113.db2.gz ZNODPBLISGFCFE-UHFFFAOYSA-N 1 0 251.330 1.945 20 5 CDBDRO Cc1ccc(C[NH2+][C@H]2CCCCNC2=O)cc1[N+](=O)[O-] ZINC000037282667 173090026 /nfs/dbraw/zinc/09/00/26/173090026.db2.gz IXYREXJSNAAGAU-LBPRGKRZSA-N 1 0 277.324 1.662 20 5 CDBDRO C[C@@H]([NH3+])CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766553 173695724 /nfs/dbraw/zinc/69/57/24/173695724.db2.gz AIUJRNQJPORILS-BDAKNGLRSA-N 1 0 251.286 1.509 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000041028752 174453625 /nfs/dbraw/zinc/45/36/25/174453625.db2.gz WBBNDOKAZKYYTH-SECBINFHSA-N 1 0 264.285 1.550 20 5 CDBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CC[NH2+]C1 ZINC000071330195 176124328 /nfs/dbraw/zinc/12/43/28/176124328.db2.gz LNVGQCNVDPZXRP-VIFPVBQESA-N 1 0 267.285 1.402 20 5 CDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@H]1CCC[NH2+]C1 ZINC000071397183 176150750 /nfs/dbraw/zinc/15/07/50/176150750.db2.gz ALNPZNLBRQNNEM-GUOLPTJISA-N 1 0 275.308 1.476 20 5 CDBDRO C[C@H]1C[N@H+](C)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000071889230 176290957 /nfs/dbraw/zinc/29/09/57/176290957.db2.gz XNWQXQOWROTARO-LBPRGKRZSA-N 1 0 263.341 1.773 20 5 CDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000078543539 177352355 /nfs/dbraw/zinc/35/23/55/177352355.db2.gz XLLMNRXJDLYOAL-GFCCVEGCSA-N 1 0 278.356 1.643 20 5 CDBDRO COc1ccc(CN2C[C@@H](C)[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000070078705 260151633 /nfs/dbraw/zinc/15/16/33/260151633.db2.gz DFZVRPSMTVKFMB-GHMZBOCLSA-N 1 0 279.340 1.786 20 5 CDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCC1=CC[NH2+]CC1 ZINC000313518100 260300130 /nfs/dbraw/zinc/30/01/30/260300130.db2.gz IELONOVNRYWFLY-WAYWQWQTSA-N 1 0 287.319 1.644 20 5 CDBDRO C[N@@H+]1CC[C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000518358329 260382438 /nfs/dbraw/zinc/38/24/38/260382438.db2.gz IROXHGCNSUWWCE-NSHDSACASA-N 1 0 263.297 1.163 20 5 CDBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)[C@H](C)C[NH2+]1 ZINC000261548489 274369614 /nfs/dbraw/zinc/36/96/14/274369614.db2.gz BYBJJHRLYRUXBD-HTQZYQBOSA-N 1 0 270.720 1.830 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000156601303 273964533 /nfs/dbraw/zinc/96/45/33/273964533.db2.gz LIQUBARUUXPHRP-LBPRGKRZSA-N 1 0 278.312 1.811 20 5 CDBDRO COc1cc(N2C[C@@H](C)[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000086471008 274097010 /nfs/dbraw/zinc/09/70/10/274097010.db2.gz MUYVLTBKISMVJG-NXEZZACHSA-N 1 0 265.313 1.790 20 5 CDBDRO C[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[NH2+]1 ZINC000420191214 274368803 /nfs/dbraw/zinc/36/88/03/274368803.db2.gz HLCPNHOFBQSGIH-SNVBAGLBSA-N 1 0 272.308 1.941 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000192055423 274504960 /nfs/dbraw/zinc/50/49/60/274504960.db2.gz AIAWIXLNWYLOGQ-IUCAKERBSA-N 1 0 263.297 1.467 20 5 CDBDRO Cc1cnc(N2C[C@H]3C[NH+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000362680425 274826596 /nfs/dbraw/zinc/82/65/96/274826596.db2.gz IOEGCBSEZMRGGR-GHMZBOCLSA-N 1 0 262.313 1.296 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000347245599 276104142 /nfs/dbraw/zinc/10/41/42/276104142.db2.gz WXRBRXIYIDQLGP-SECBINFHSA-N 1 0 268.317 1.383 20 5 CDBDRO CC[N@@H+]1CCCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000125227776 276165424 /nfs/dbraw/zinc/16/54/24/276165424.db2.gz JLVQOVRVFYYPQU-UHFFFAOYSA-N 1 0 264.329 1.830 20 5 CDBDRO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CC[NH2+]C1 ZINC000269148454 276736795 /nfs/dbraw/zinc/73/67/95/276736795.db2.gz KRFYCSRNFMRIFH-LLVKDONJSA-N 1 0 289.291 1.775 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1c1ccc([N+](=O)[O-])c(OC)c1 ZINC000133334000 277033080 /nfs/dbraw/zinc/03/30/80/277033080.db2.gz QUHATISJCQOZJA-LLVKDONJSA-N 1 0 265.313 1.792 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000020479006 277051026 /nfs/dbraw/zinc/05/10/26/277051026.db2.gz CADIXLCFFYUAMY-UHFFFAOYSA-N 1 0 263.297 1.373 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])s3)CC[C@@H]21 ZINC000192493964 277084970 /nfs/dbraw/zinc/08/49/70/277084970.db2.gz NHCKMWPNOUVQQO-UWVGGRQHSA-N 1 0 282.369 1.972 20 5 CDBDRO C[NH2+][C@@H]1CCCN(c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000155920999 277295247 /nfs/dbraw/zinc/29/52/47/277295247.db2.gz UWSKYPQCGYWUER-SNVBAGLBSA-N 1 0 265.313 1.792 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000459756987 277303502 /nfs/dbraw/zinc/30/35/02/277303502.db2.gz OQLAIHNGHVAWIY-SCDSUCTJSA-N 1 0 280.324 1.529 20 5 CDBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH3+])cc1SC ZINC000262551298 277389256 /nfs/dbraw/zinc/38/92/56/277389256.db2.gz YIQUWSLFEWTGHZ-ZETCQYMHSA-N 1 0 299.352 1.402 20 5 CDBDRO COCCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459521677 277497777 /nfs/dbraw/zinc/49/77/77/277497777.db2.gz ZUVNZEXGBBCQSM-UHFFFAOYSA-N 1 0 280.328 1.148 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000104215688 278184031 /nfs/dbraw/zinc/18/40/31/278184031.db2.gz VKYRYMFMWBCMBG-ZCFIWIBFSA-N 1 0 257.677 1.325 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000063192939 278317048 /nfs/dbraw/zinc/31/70/48/278317048.db2.gz JJNBJNKIMGKREL-NXEZZACHSA-N 1 0 280.328 1.275 20 5 CDBDRO C[C@@H]([NH2+][C@H]1CCC(=O)NC1)c1ccc([N+](=O)[O-])cc1 ZINC000111015477 278381108 /nfs/dbraw/zinc/38/11/08/278381108.db2.gz IEWKTEFDDQFKSC-KOLCDFICSA-N 1 0 263.297 1.524 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261664944 278571093 /nfs/dbraw/zinc/57/10/93/278571093.db2.gz FKVQBIQLIRCYIJ-GIPNMCIBSA-N 1 0 277.324 1.711 20 5 CDBDRO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000261574470 279086018 /nfs/dbraw/zinc/08/60/18/279086018.db2.gz BEKMWENSVXZEAX-HQJQHLMTSA-N 1 0 267.260 1.296 20 5 CDBDRO C[NH+](C)C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000041297306 279143407 /nfs/dbraw/zinc/14/34/07/279143407.db2.gz RYCMLZDWHWJKMQ-UHFFFAOYSA-N 1 0 255.274 1.258 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)COCC2CC2)c1 ZINC000051634451 279180966 /nfs/dbraw/zinc/18/09/66/279180966.db2.gz VSVYQZNHOZLHKZ-AWEZNQCLSA-N 1 0 280.324 1.472 20 5 CDBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000356253774 279305842 /nfs/dbraw/zinc/30/58/42/279305842.db2.gz NBPHFEQMXFWQOD-LLVKDONJSA-N 1 0 294.355 1.917 20 5 CDBDRO [NH3+]C1(CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CCC1 ZINC000230065922 280114230 /nfs/dbraw/zinc/11/42/30/280114230.db2.gz SUVFWRDITALZBL-VOTSOKGWSA-N 1 0 275.308 1.606 20 5 CDBDRO CC(C)C1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000232670752 280122113 /nfs/dbraw/zinc/12/21/13/280122113.db2.gz ALZCOFWNAOKOHU-GFCCVEGCSA-N 1 0 282.344 1.178 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000237960925 280194709 /nfs/dbraw/zinc/19/47/09/280194709.db2.gz BQJUBZMXYHGOJB-FUEXJSSKSA-N 1 0 293.298 1.697 20 5 CDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH3+] ZINC000423591356 280757357 /nfs/dbraw/zinc/75/73/57/280757357.db2.gz JHDGWPMUNSKWLD-QMMMGPOBSA-N 1 0 283.353 1.784 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c1 ZINC000277899876 281012218 /nfs/dbraw/zinc/01/22/18/281012218.db2.gz XOELGJLFATVJFR-STQMWFEESA-N 1 0 293.367 1.795 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000520977279 281062564 /nfs/dbraw/zinc/06/25/64/281062564.db2.gz GKMSKQKOGNPNRU-SNVBAGLBSA-N 1 0 295.314 1.806 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261588741 281260491 /nfs/dbraw/zinc/26/04/91/281260491.db2.gz KINUSMFNXNLMBS-NEPJUHHUSA-N 1 0 261.325 1.949 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000086467556 288327765 /nfs/dbraw/zinc/32/77/65/288327765.db2.gz OFIOEXIBSHLNBX-DTWKUNHWSA-N 1 0 281.287 1.556 20 5 CDBDRO CC(C)(C)C(C)(C)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000314949084 289433614 /nfs/dbraw/zinc/43/36/14/289433614.db2.gz QAIOLLPTSZBTMV-LBPRGKRZSA-N 1 0 298.387 1.814 20 5 CDBDRO C[C@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000556829512 290305568 /nfs/dbraw/zinc/30/55/68/290305568.db2.gz AGCXPXYEWKATHG-RNZFLTOJSA-N 1 0 261.325 1.902 20 5 CDBDRO CCC[NH+](CCC)CCCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000562749711 293190927 /nfs/dbraw/zinc/19/09/27/293190927.db2.gz VCTJESQVEKRZHM-UHFFFAOYSA-N 1 0 297.359 1.560 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC2CC[NH2+]CC2)cc1CO ZINC000572598900 294654215 /nfs/dbraw/zinc/65/42/15/294654215.db2.gz DEAACEUTWUZXHX-UHFFFAOYSA-N 1 0 266.297 1.466 20 5 CDBDRO [NH3+]C[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCO1 ZINC000274815715 295276243 /nfs/dbraw/zinc/27/62/43/295276243.db2.gz RRKQHQTVLNEZER-QMMMGPOBSA-N 1 0 299.714 1.048 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000235357467 301849439 /nfs/dbraw/zinc/84/94/39/301849439.db2.gz VVHZYACHWUKLDD-MWLCHTKSSA-N 1 0 263.297 1.322 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261605006 302038168 /nfs/dbraw/zinc/03/81/68/302038168.db2.gz CSQVMTRTBSCVPO-VXGBXAGGSA-N 1 0 289.335 1.585 20 5 CDBDRO O=C(N1CCc2c1cccc2[N+](=O)[O-])[C@]12C[C@H]1CC[NH2+]2 ZINC000569958377 316883801 /nfs/dbraw/zinc/88/38/01/316883801.db2.gz HOBIMONVQLFBMI-OTYXRUKQSA-N 1 0 273.292 1.236 20 5 CDBDRO C[NH2+]CCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000570098738 316911386 /nfs/dbraw/zinc/91/13/86/316911386.db2.gz WGVCYIVBBUDAKH-UHFFFAOYSA-N 1 0 277.324 1.695 20 5 CDBDRO CCC[NH2+][C@@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000576700689 317189687 /nfs/dbraw/zinc/18/96/87/317189687.db2.gz PSPJNFMOWSGKJV-JTQLQIEISA-N 1 0 265.313 1.599 20 5 CDBDRO Cc1ccc(C(=O)N[C@@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000383518025 323670082 /nfs/dbraw/zinc/67/00/82/323670082.db2.gz UNIVQZSBXPFLTA-VIFPVBQESA-N 1 0 287.266 1.616 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000387683406 323777008 /nfs/dbraw/zinc/77/70/08/323777008.db2.gz SRLHCEFBFHQYGD-TYBABMIJSA-N 1 0 277.324 1.722 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000583094948 325106884 /nfs/dbraw/zinc/10/68/84/325106884.db2.gz RZDUSUKHYWDNIW-VXGBXAGGSA-N 1 0 279.340 1.963 20 5 CDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCn2cc([N+](=O)[O-])cc(F)c2=O)C1 ZINC000584242649 327125992 /nfs/dbraw/zinc/12/59/92/327125992.db2.gz BFUSHESPUSLLKA-GHMZBOCLSA-N 1 0 297.330 1.874 20 5 CDBDRO CC(C)OC[C@@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000584378624 329307014 /nfs/dbraw/zinc/30/70/14/329307014.db2.gz QPRGZVOJYBEOOM-CQSZACIVSA-N 1 0 282.340 1.813 20 5 CDBDRO Nc1ccc(O[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC001218452448 1159536045 /nfs/dbraw/zinc/53/60/45/1159536045.db2.gz KNBUDQLDPLIDRO-JTQLQIEISA-N 1 0 273.239 1.553 20 5 CDBDRO [NH3+][C@H]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000214051133 1160705157 /nfs/dbraw/zinc/70/51/57/1160705157.db2.gz YOEBDKRGUNMNMY-VIFPVBQESA-N 1 0 258.281 1.680 20 5 CDBDRO CC[N@H+](CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000071969741 521119294 /nfs/dbraw/zinc/11/92/94/521119294.db2.gz XQJGBWCFECLYJR-UHFFFAOYSA-N 1 0 254.286 1.288 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2cccc(O)c2)C1 ZINC001168967540 1161996207 /nfs/dbraw/zinc/99/62/07/1161996207.db2.gz QJNNIXUEJBDTIP-STQMWFEESA-N 1 0 264.325 1.970 20 5 CDBDRO COc1cc(C(=O)NCC2([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000416305407 518130368 /nfs/dbraw/zinc/13/03/68/518130368.db2.gz XGQNPNHSNLQXAA-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000046464853 520685081 /nfs/dbraw/zinc/68/50/81/520685081.db2.gz HDLGRFLXYGKOFM-UHFFFAOYSA-N 1 0 279.340 1.975 20 5 CDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000078727821 522923162 /nfs/dbraw/zinc/92/31/62/522923162.db2.gz LRZWMDAIFCWELU-UHFFFAOYSA-N 1 0 268.313 1.676 20 5 CDBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000035272176 524954334 /nfs/dbraw/zinc/95/43/34/524954334.db2.gz MGMYKUYNAZWSFU-NSHDSACASA-N 1 0 260.297 1.970 20 5 CDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCC[NH2+]C1 ZINC000050162639 525332863 /nfs/dbraw/zinc/33/28/63/525332863.db2.gz JLJMRJZZPRLJRO-RKDXNWHRSA-N 1 0 283.353 1.774 20 5 CDBDRO C[S@@](=O)CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000116918433 525366560 /nfs/dbraw/zinc/36/65/60/525366560.db2.gz IQTRUDMDCNIYAS-INIZCTEOSA-N 1 0 262.356 1.515 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000188449631 525455002 /nfs/dbraw/zinc/45/50/02/525455002.db2.gz JEVDKQHOHZNBAC-SECBINFHSA-N 1 0 279.296 1.037 20 5 CDBDRO [NH3+]C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000236262126 527227382 /nfs/dbraw/zinc/22/73/82/527227382.db2.gz JWVNDQGULVCZOL-ZDUSSCGKSA-N 1 0 295.314 1.981 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000226781345 527233283 /nfs/dbraw/zinc/23/32/83/527233283.db2.gz YAZDNHQLBTTXEL-HTQZYQBOSA-N 1 0 256.331 1.981 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CCC[NH3+])c1 ZINC000423691073 535428275 /nfs/dbraw/zinc/42/82/75/535428275.db2.gz PAQNFYVOPOZXAB-JTQLQIEISA-N 1 0 295.339 1.851 20 5 CDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)n1 ZINC000427378450 536093809 /nfs/dbraw/zinc/09/38/09/536093809.db2.gz CKBGWQCQEOEUEF-NXEZZACHSA-N 1 0 295.343 1.024 20 5 CDBDRO C[NH2+][C@@H](C)Cc1noc(CNc2ccccc2[N+](=O)[O-])n1 ZINC000261612367 536349096 /nfs/dbraw/zinc/34/90/96/536349096.db2.gz AWIURLATVVRRNS-VIFPVBQESA-N 1 0 291.311 1.740 20 5 CDBDRO C[NH2+][C@@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000261577506 536378500 /nfs/dbraw/zinc/37/85/00/536378500.db2.gz CTCGCCZYEJAHLD-SSDOTTSWSA-N 1 0 279.325 1.398 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000422722664 536955848 /nfs/dbraw/zinc/95/58/48/536955848.db2.gz YKSPKDMEDKZGMG-UWVGGRQHSA-N 1 0 267.329 1.819 20 5 CDBDRO COc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000261775660 538363057 /nfs/dbraw/zinc/36/30/57/538363057.db2.gz WLNLNCRCTDDACX-YNEHKIRRSA-N 1 0 291.351 1.773 20 5 CDBDRO CCN(CC)Cc1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864641806 692430029 /nfs/dbraw/zinc/43/00/29/692430029.db2.gz BVIQFMOOTFVTBJ-UHFFFAOYSA-N 1 0 255.322 1.175 20 5 CDBDRO COc1cc(C[NH2+][C@H]2CCN(C)C2)c([N+](=O)[O-])cc1OC ZINC000729681621 574820511 /nfs/dbraw/zinc/82/05/11/574820511.db2.gz FPRLFYHMIATBDJ-NSHDSACASA-N 1 0 295.339 1.406 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](CO)C3CC3)nc2c1 ZINC000769794062 575385356 /nfs/dbraw/zinc/38/53/56/575385356.db2.gz GACYZWNDRTZRPA-LBPRGKRZSA-N 1 0 276.296 1.332 20 5 CDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)OCC[NH+]1CCCCC1 ZINC000770360774 575440874 /nfs/dbraw/zinc/44/08/74/575440874.db2.gz HVPHRDXOLPZNAC-UHFFFAOYSA-N 1 0 296.327 1.211 20 5 CDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000771463804 575581399 /nfs/dbraw/zinc/58/13/99/575581399.db2.gz ZKSZMMDTSCRQED-LALPHHSUSA-N 1 0 293.367 1.653 20 5 CDBDRO CC[C@@H](CO)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000742424505 576602100 /nfs/dbraw/zinc/60/21/00/576602100.db2.gz HQTPUWOLDNUILD-LBPRGKRZSA-N 1 0 279.340 1.488 20 5 CDBDRO CC[N@@H+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000749694339 576958382 /nfs/dbraw/zinc/95/83/82/576958382.db2.gz VYDGFMHPHFPFGG-DOMZBBRYSA-N 1 0 293.367 1.654 20 5 CDBDRO COc1c(O)ccc(C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000891447331 617400053 /nfs/dbraw/zinc/40/00/53/617400053.db2.gz QIOUSBGOVAULKK-UHFFFAOYSA-N 1 0 252.270 1.905 20 5 CDBDRO C[C@@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000840882621 617517638 /nfs/dbraw/zinc/51/76/38/617517638.db2.gz QDGOEIIOXWPQSE-SNVBAGLBSA-N 1 0 298.364 1.823 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CCC(C[NH+]2CCCC2)CC1 ZINC000891871976 617695139 /nfs/dbraw/zinc/69/51/39/617695139.db2.gz GTLAMUHQAMDCDJ-UHFFFAOYSA-N 1 0 293.371 1.641 20 5 CDBDRO Cc1cc(N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)ncc1[N+](=O)[O-] ZINC000893940335 618203891 /nfs/dbraw/zinc/20/38/91/618203891.db2.gz MVXLZKUUIRJNAO-PWSUYJOCSA-N 1 0 262.313 1.439 20 5 CDBDRO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H]1C[NH3+] ZINC000818009376 618491823 /nfs/dbraw/zinc/49/18/23/618491823.db2.gz QNPALQVAIDLMDM-VHSXEESVSA-N 1 0 292.339 1.234 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1COCO1 ZINC000894872380 619112922 /nfs/dbraw/zinc/11/29/22/619112922.db2.gz IRKHYPBJRULAMT-LBPRGKRZSA-N 1 0 282.296 1.456 20 5 CDBDRO CCC[C@@H]1CN(c2c([N+](=O)[O-])nc(C)n2CC)CC[NH2+]1 ZINC000895058893 619242964 /nfs/dbraw/zinc/24/29/64/619242964.db2.gz PFBDPVVLBLFZCD-LLVKDONJSA-N 1 0 281.360 1.698 20 5 CDBDRO C[C@H](Nc1cccnc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895245503 619486856 /nfs/dbraw/zinc/48/68/56/619486856.db2.gz BAMVJGXOQCLNEY-JQWIXIFHSA-N 1 0 279.344 1.036 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@H]2COC[C@H]2C)c1[N+](=O)[O-] ZINC000896733874 620216791 /nfs/dbraw/zinc/21/67/91/620216791.db2.gz SRPCRIYXCDTRSS-SCZZXKLOSA-N 1 0 282.296 1.434 20 5 CDBDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000897890045 621194754 /nfs/dbraw/zinc/19/47/54/621194754.db2.gz FYVBSZIUROSMGR-GZBFAFLISA-N 1 0 292.335 1.976 20 5 CDBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cn(C)nn1 ZINC000902859156 625547416 /nfs/dbraw/zinc/54/74/16/625547416.db2.gz CROYIIHQOLNKBA-SNVBAGLBSA-N 1 0 291.311 1.453 20 5 CDBDRO CO[C@](C)(C[NH2+]CC[N+](=O)[O-])COCc1ccccc1 ZINC000899893929 622515325 /nfs/dbraw/zinc/51/53/25/622515325.db2.gz XDSXZHULZHMRKG-CQSZACIVSA-N 1 0 282.340 1.475 20 5 CDBDRO CC(C)NC(=O)Nc1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905048985 626385847 /nfs/dbraw/zinc/38/58/47/626385847.db2.gz MZDIWANIALSWDL-UHFFFAOYSA-N 1 0 280.328 1.583 20 5 CDBDRO CN(CCC[NH2+]CC[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000905055806 626605594 /nfs/dbraw/zinc/60/55/94/626605594.db2.gz SPCXCFCXLKMQQL-UHFFFAOYSA-N 1 0 261.322 1.110 20 5 CDBDRO Cc1cc(F)ccc1N1CCC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905123720 626634345 /nfs/dbraw/zinc/63/43/45/626634345.db2.gz LSBMSLGSERRBJR-CYBMUJFWSA-N 1 0 281.331 1.969 20 5 CDBDRO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]CC[N+](=O)[O-] ZINC000905240918 626719926 /nfs/dbraw/zinc/71/99/26/626719926.db2.gz BODYDVIVUVIFSZ-SNVBAGLBSA-N 1 0 275.349 1.498 20 5 CDBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NCC[N+](=O)[O-] ZINC000905298375 626723837 /nfs/dbraw/zinc/72/38/37/626723837.db2.gz ARRHAJQBYCYTFQ-UHFFFAOYSA-N 1 0 278.356 1.435 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912921467 630290823 /nfs/dbraw/zinc/29/08/23/630290823.db2.gz DOOQLJAONZDLHQ-JTQLQIEISA-N 1 0 281.337 1.577 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@@H+]1C ZINC000157694475 630609369 /nfs/dbraw/zinc/60/93/69/630609369.db2.gz HOOXQJYSIYLOFH-NXEZZACHSA-N 1 0 295.314 1.946 20 5 CDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000918693746 632422702 /nfs/dbraw/zinc/42/27/02/632422702.db2.gz NSOCRGZNOQVSQL-SNVBAGLBSA-N 1 0 285.369 1.972 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]1C[NH3+] ZINC000261575570 1158541661 /nfs/dbraw/zinc/54/16/61/1158541661.db2.gz NFXSNCXXTFZKEL-VIFPVBQESA-N 1 0 253.306 1.047 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000877493637 693873053 /nfs/dbraw/zinc/87/30/53/693873053.db2.gz NDDDXJVEVFHUPW-HNNXBMFYSA-N 1 0 291.351 1.909 20 5 CDBDRO CC(C)NC(=O)OC[C@H]1CCCCN1CC[N+](=O)[O-] ZINC000930481903 693873456 /nfs/dbraw/zinc/87/34/56/693873456.db2.gz UATAAQKUDLRVOY-LLVKDONJSA-N 1 0 273.333 1.252 20 5 CDBDRO C[C@@H]([NH3+])CN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000863569562 693891523 /nfs/dbraw/zinc/89/15/23/693891523.db2.gz WDCDGEPEIZHUKN-MRVPVSSYSA-N 1 0 264.285 1.515 20 5 CDBDRO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])c(F)c1 ZINC000839826539 693970765 /nfs/dbraw/zinc/97/07/65/693970765.db2.gz LVVIZGCQDJHQKP-BXKDBHETSA-N 1 0 281.287 1.491 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1Cc1cccnc1[N+](=O)[O-] ZINC000923436885 694088600 /nfs/dbraw/zinc/08/86/00/694088600.db2.gz SXHDGOLQQTXPJJ-VWYCJHECSA-N 1 0 264.329 1.561 20 5 CDBDRO Cc1c(C[NH2+][C@@H](C)C[S@](C)=O)cccc1[N+](=O)[O-] ZINC000168922317 694191239 /nfs/dbraw/zinc/19/12/39/694191239.db2.gz ZCNMUXYJMJQLKK-NIVTXAMTSA-N 1 0 270.354 1.760 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)c1 ZINC000886232248 688343429 /nfs/dbraw/zinc/34/34/29/688343429.db2.gz STAISZFXWOFUNR-OCCSQVGLSA-N 1 0 280.324 1.614 20 5 CDBDRO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)c1csc([N+](=O)[O-])c1 ZINC000711600704 688360970 /nfs/dbraw/zinc/36/09/70/688360970.db2.gz LIJNCNDSSJUALR-SKDRFNHKSA-N 1 0 281.337 1.671 20 5 CDBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000872784686 688389279 /nfs/dbraw/zinc/38/92/79/688389279.db2.gz PTPNIRFPBGFSOL-TXEJJXNPSA-N 1 0 288.307 1.480 20 5 CDBDRO Cc1c(C[NH2+][C@H](CO)C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000886220303 688397933 /nfs/dbraw/zinc/39/79/33/688397933.db2.gz GGCJMGLGKAHRLP-KBPBESRZSA-N 1 0 294.351 1.923 20 5 CDBDRO Cn1cc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000105909042 688399503 /nfs/dbraw/zinc/39/95/03/688399503.db2.gz DXCZTXJDAHZHGD-ZDUSSCGKSA-N 1 0 276.296 1.152 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000886171409 688406029 /nfs/dbraw/zinc/40/60/29/688406029.db2.gz GSPCVBZUKPNXKI-GFCCVEGCSA-N 1 0 285.303 1.952 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923392164 688412827 /nfs/dbraw/zinc/41/28/27/688412827.db2.gz HKAHQXOUFRIKON-MPKXVKKWSA-N 1 0 279.340 1.440 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843470222 688424148 /nfs/dbraw/zinc/42/41/48/688424148.db2.gz XQFBFXSVHKIBGM-LURJTMIESA-N 1 0 289.694 1.393 20 5 CDBDRO C[C@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000887402531 688464614 /nfs/dbraw/zinc/46/46/14/688464614.db2.gz DQNUCLABLSJJIE-GFCCVEGCSA-N 1 0 291.351 1.910 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000715065456 688541410 /nfs/dbraw/zinc/54/14/10/688541410.db2.gz HSUBVUIJZIRIMA-AOOOYVTPSA-N 1 0 263.297 1.370 20 5 CDBDRO COc1cc(OCc2nc(CC[NH3+])no2)ccc1[N+](=O)[O-] ZINC000843131173 688572801 /nfs/dbraw/zinc/57/28/01/688572801.db2.gz NGGGWSMYUQXPNG-UHFFFAOYSA-N 1 0 294.267 1.067 20 5 CDBDRO C[NH+](C)[C@H](CNc1ccnc(F)c1[N+](=O)[O-])C1CC1 ZINC000881925622 688610229 /nfs/dbraw/zinc/61/02/29/688610229.db2.gz YSVPAJDZBAUECG-SNVBAGLBSA-N 1 0 268.292 1.881 20 5 CDBDRO Cc1c(CNC[C@@](C)(O)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000227972633 688702254 /nfs/dbraw/zinc/70/22/54/688702254.db2.gz UJZJOKDSQQNSGD-CQSZACIVSA-N 1 0 281.356 1.305 20 5 CDBDRO CCN(CC)C(=O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000049832775 688742666 /nfs/dbraw/zinc/74/26/66/688742666.db2.gz VSYWVVUCNHQUEC-UHFFFAOYSA-N 1 0 265.313 1.553 20 5 CDBDRO CC(C)COC[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000049592665 694278522 /nfs/dbraw/zinc/27/85/22/694278522.db2.gz ZFFRWVDDSXFFFF-CQSZACIVSA-N 1 0 282.340 1.718 20 5 CDBDRO C[C@@H](C[NH3+])c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000822791052 694323049 /nfs/dbraw/zinc/32/30/49/694323049.db2.gz NYBCCEXQEOWIHB-VIFPVBQESA-N 1 0 291.311 1.695 20 5 CDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3C[C@H]4C[C@H]4[NH2+]3)n2)n1C ZINC000823094390 694386294 /nfs/dbraw/zinc/38/62/94/694386294.db2.gz QUWZZBDKWPWXTG-PRJMDXOYSA-N 1 0 290.283 1.110 20 5 CDBDRO C[C@@H]1CN(CC[N+](=O)[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000931178515 694397542 /nfs/dbraw/zinc/39/75/42/694397542.db2.gz UPPGYEPTQZJGFG-GHMZBOCLSA-N 1 0 272.345 1.563 20 5 CDBDRO CC(C)(C)[C@@H]([NH3+])CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000136854039 694452411 /nfs/dbraw/zinc/45/24/11/694452411.db2.gz RHJOIGYOPHRIQF-LBPRGKRZSA-N 1 0 279.340 1.975 20 5 CDBDRO COc1ccc(CNC(=O)C[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000827476856 694462848 /nfs/dbraw/zinc/46/28/48/694462848.db2.gz DKQVXYSLHMNGSD-LLVKDONJSA-N 1 0 293.323 1.347 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701068474 692167703 /nfs/dbraw/zinc/16/77/03/692167703.db2.gz WJVHEIJZPAUQLG-SSDOTTSWSA-N 1 0 271.704 1.715 20 5 CDBDRO CCOc1cc(C[NH2+][C@@H](CC)CO)ccc1[N+](=O)[O-] ZINC000931774711 692244372 /nfs/dbraw/zinc/24/43/72/692244372.db2.gz MDPLKCXKJSKRDT-NSHDSACASA-N 1 0 268.313 1.854 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CCCC[C@H]1CCO ZINC000885985291 692255742 /nfs/dbraw/zinc/25/57/42/692255742.db2.gz DJEBIJIFRDMQCW-LBPRGKRZSA-N 1 0 265.313 1.727 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CCn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829842496 692338023 /nfs/dbraw/zinc/33/80/23/692338023.db2.gz MZNMVKKUNXVNKM-VIFPVBQESA-N 1 0 283.288 1.574 20 5 CDBDRO Cc1coc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000886026385 692410997 /nfs/dbraw/zinc/41/09/97/692410997.db2.gz VLWLVIWPDRDICS-UHFFFAOYSA-N 1 0 250.258 1.483 20 5 CDBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000049918486 692449364 /nfs/dbraw/zinc/44/93/64/692449364.db2.gz QEQAUCBLQQFBEI-JTQLQIEISA-N 1 0 294.355 1.637 20 5 CDBDRO C[NH+](C)CCCOC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000844260085 692472609 /nfs/dbraw/zinc/47/26/09/692472609.db2.gz TUPILGOMCFKCPI-UHFFFAOYSA-N 1 0 266.297 1.632 20 5 CDBDRO CO[C@@H](C)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819001402 692548984 /nfs/dbraw/zinc/54/89/84/692548984.db2.gz MQFLSIFVVOKIGR-GXFFZTMASA-N 1 0 268.313 1.643 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000886833308 692570716 /nfs/dbraw/zinc/57/07/16/692570716.db2.gz WKNWYEIJJFYOLW-GXTWGEPZSA-N 1 0 290.367 1.954 20 5 CDBDRO CN[C@@H](C)c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000848622111 692639554 /nfs/dbraw/zinc/63/95/54/692639554.db2.gz RPLVYVOESWBGSY-VIFPVBQESA-N 1 0 291.311 1.913 20 5 CDBDRO C[N@H+]1CC=C(CNc2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000775698700 692647589 /nfs/dbraw/zinc/64/75/89/692647589.db2.gz QXSNCIOGMWENAT-UHFFFAOYSA-N 1 0 287.323 1.916 20 5 CDBDRO [NH3+][C@@H](CC(=O)NCCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000825985289 692651202 /nfs/dbraw/zinc/65/12/02/692651202.db2.gz GBQXLKHRDJYYRD-NSHDSACASA-N 1 0 292.339 1.250 20 5 CDBDRO CC(C)(CO)[C@H]([NH2+]CC[N+](=O)[O-])c1cccs1 ZINC000930497583 694546294 /nfs/dbraw/zinc/54/62/94/694546294.db2.gz NEXOZHAUYIZHTD-SNVBAGLBSA-N 1 0 258.343 1.674 20 5 CDBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886144813 692934154 /nfs/dbraw/zinc/93/41/54/692934154.db2.gz HWVRXRIZEPRNIL-RYUDHWBXSA-N 1 0 281.312 1.273 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@H]1O ZINC000866378996 692940519 /nfs/dbraw/zinc/94/05/19/692940519.db2.gz GCKQVHMYGVYIPQ-XTWCZFFVSA-N 1 0 268.288 1.778 20 5 CDBDRO Cc1cccc(C(=O)NC[C@H]2C[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000715145481 693005834 /nfs/dbraw/zinc/00/58/34/693005834.db2.gz AYPOOPXYJHWBOO-MGCOHNPYSA-N 1 0 263.297 1.370 20 5 CDBDRO C[N@@H+]1CC[C@](O)(CNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000702594035 693025471 /nfs/dbraw/zinc/02/54/71/693025471.db2.gz SCDACHMTLQMBTJ-ZDUSSCGKSA-N 1 0 299.758 1.404 20 5 CDBDRO O=C(CC[NH2+]CC1CC1)NCc1ccccc1[N+](=O)[O-] ZINC000717164963 693044879 /nfs/dbraw/zinc/04/48/79/693044879.db2.gz KAZKISKISYBVJE-UHFFFAOYSA-N 1 0 277.324 1.601 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702057401 693305804 /nfs/dbraw/zinc/30/58/04/693305804.db2.gz UYELXVQYQNENEL-VIFPVBQESA-N 1 0 283.715 1.730 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000886568392 693326833 /nfs/dbraw/zinc/32/68/33/693326833.db2.gz IVGNNTJGOIBTTJ-SCRDCRAPSA-N 1 0 294.376 1.923 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000129246926 693339527 /nfs/dbraw/zinc/33/95/27/693339527.db2.gz CCKNIXWYYGGKHO-SCZZXKLOSA-N 1 0 281.287 1.686 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(CC[C@@H]2CCC[NH2+]2)n1 ZINC000843222074 693344126 /nfs/dbraw/zinc/34/41/26/693344126.db2.gz CPOXGBUCKVFBCQ-QMMMGPOBSA-N 1 0 292.299 1.063 20 5 CDBDRO CC(C)[C@@H]([NH3+])CCN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923296386 693371161 /nfs/dbraw/zinc/37/11/61/693371161.db2.gz GWAXZXKZOZZAEP-LSDHHAIUSA-N 1 0 295.383 1.933 20 5 CDBDRO C[C@@H]1CC[C@@H]1[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000783246941 693402606 /nfs/dbraw/zinc/40/26/06/693402606.db2.gz UYPJJRWPAWSQKV-GJQVQUKXSA-N 1 0 280.324 1.377 20 5 CDBDRO Cc1c(C(=O)N[C@@H](C)[C@H](C)[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000834821408 694693342 /nfs/dbraw/zinc/69/33/42/694693342.db2.gz PNGLRMIXPLRYCA-YUMQZZPRSA-N 1 0 296.283 1.277 20 5 CDBDRO CN(CC[NH+](C)C)c1cc(F)c([N+](=O)[O-])cc1CO ZINC000865578099 693428805 /nfs/dbraw/zinc/42/88/05/693428805.db2.gz WWXQUNIBNBTGQP-UHFFFAOYSA-N 1 0 271.292 1.224 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884081621 693480385 /nfs/dbraw/zinc/48/03/85/693480385.db2.gz DTLAFGPYBGEVRP-LBPRGKRZSA-N 1 0 291.351 1.799 20 5 CDBDRO Cc1c(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cccc1[N+](=O)[O-] ZINC000261669987 694756396 /nfs/dbraw/zinc/75/63/96/694756396.db2.gz ZYZNTJXAEMEZAD-GXSJLCMTSA-N 1 0 263.297 1.465 20 5 CDBDRO [NH3+][C@@H](CC1CC1)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000884140092 694808731 /nfs/dbraw/zinc/80/87/31/694808731.db2.gz KFPAFPZOYKBEKW-NSHDSACASA-N 1 0 275.308 1.611 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2CC[C@H]1C2 ZINC000905134037 694809616 /nfs/dbraw/zinc/80/96/16/694809616.db2.gz CIFJYVXFULKYDN-LBPRGKRZSA-N 1 0 276.296 1.517 20 5 CDBDRO Cc1c(CNC(=O)N(C)C[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000861625875 694691435 /nfs/dbraw/zinc/69/14/35/694691435.db2.gz PCGWSZVOPIZOIB-VIFPVBQESA-N 1 0 280.328 1.392 20 5 CDBDRO C[C@H](NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817976609 694811726 /nfs/dbraw/zinc/81/17/26/694811726.db2.gz PCHXQFARKKKXBW-LSJOCFKGSA-N 1 0 282.319 1.528 20 5 CDBDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231851895 694835769 /nfs/dbraw/zinc/83/57/69/694835769.db2.gz YHOZZXFWMQTWDA-NSHDSACASA-N 1 0 279.340 1.860 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[NH2+]CC1 ZINC000876505175 694843131 /nfs/dbraw/zinc/84/31/31/694843131.db2.gz OFPYOHAIVVHCSQ-UHFFFAOYSA-N 1 0 263.297 1.257 20 5 CDBDRO C[NH2+]CCNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000884023206 694851760 /nfs/dbraw/zinc/85/17/60/694851760.db2.gz FMSKPNJANIYVBH-UHFFFAOYSA-N 1 0 251.286 1.161 20 5 CDBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000796205268 694851949 /nfs/dbraw/zinc/85/19/49/694851949.db2.gz XCFZZDOPHNRUNA-KBPBESRZSA-N 1 0 280.324 1.739 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000886264331 694856823 /nfs/dbraw/zinc/85/68/23/694856823.db2.gz WXNNPATUZIVLON-PWSUYJOCSA-N 1 0 263.297 1.601 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877168562 694861616 /nfs/dbraw/zinc/86/16/16/694861616.db2.gz ODNDGYBADVRTCV-QWRGUYRKSA-N 1 0 275.308 1.398 20 5 CDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3CC[NH2+][C@@H]3C)n2)n1C ZINC000823093972 694864574 /nfs/dbraw/zinc/86/45/74/694864574.db2.gz LUUYBFJJKMAWIJ-HTRCEHHLSA-N 1 0 292.299 1.152 20 5 CDBDRO NC(=O)c1ccc(NC2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000051693826 694865288 /nfs/dbraw/zinc/86/52/88/694865288.db2.gz PGZBCDVUJRYWMK-UHFFFAOYSA-N 1 0 278.312 1.376 20 5 CDBDRO CC[N@H+](CCNC(=O)CCC(C)(C)[N+](=O)[O-])C1CC1 ZINC000823075583 694896370 /nfs/dbraw/zinc/89/63/70/694896370.db2.gz PRLPLCRZYWLGJL-UHFFFAOYSA-N 1 0 271.361 1.422 20 5 CDBDRO [NH3+][C@H](CC(=O)NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000137386868 695087335 /nfs/dbraw/zinc/08/73/35/695087335.db2.gz RQPKKSPFSFGDFD-LLVKDONJSA-N 1 0 263.297 1.338 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(C(C)(C)O)CC1 ZINC000879629113 695112623 /nfs/dbraw/zinc/11/26/23/695112623.db2.gz HEHYTXQSRGYEBT-UHFFFAOYSA-N 1 0 296.371 1.583 20 5 CDBDRO COc1ccc(C[C@@H](C)N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001170295214 1162328025 /nfs/dbraw/zinc/32/80/25/1162328025.db2.gz BBOGUZNRSZYHFD-ZYHUDNBSSA-N 1 0 279.340 1.567 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]C2CN(C)C2)c([N+](=O)[O-])c1 ZINC001170309974 1162339928 /nfs/dbraw/zinc/33/99/28/1162339928.db2.gz UXYGKLGUXZHURK-JTQLQIEISA-N 1 0 279.340 1.438 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@H]([NH3+])[C@H]2C)n1 ZINC001157742095 1162376397 /nfs/dbraw/zinc/37/63/97/1162376397.db2.gz PGSWNNWCLAAATJ-RKDXNWHRSA-N 1 0 281.316 1.018 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N(C(C)C)[C@H]2CC[NH2+]C2)n1 ZINC001158025089 1162684753 /nfs/dbraw/zinc/68/47/53/1162684753.db2.gz DLZXOTPTMUUUEU-JTQLQIEISA-N 1 0 265.317 1.270 20 5 CDBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001158178216 1162760020 /nfs/dbraw/zinc/76/00/20/1162760020.db2.gz ZOSQJWKRUUGZBR-OCAPTIKFSA-N 1 0 281.272 1.085 20 5 CDBDRO Cc1c(N[C@H](C)[C@@H]2C[NH2+]CCO2)cc(F)cc1[N+](=O)[O-] ZINC001170567780 1162950837 /nfs/dbraw/zinc/95/08/37/1162950837.db2.gz LUWBTGQVDZWAQN-RNCFNFMXSA-N 1 0 283.303 1.831 20 5 CDBDRO [NH3+]Cc1cnn(-c2cc3cc[nH]c3c([N+](=O)[O-])c2)c1 ZINC001168262614 1160568682 /nfs/dbraw/zinc/56/86/82/1160568682.db2.gz VOXNJYRTHUBIMC-UHFFFAOYSA-N 1 0 257.253 1.721 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)c2c1 ZINC001155583196 1167241693 /nfs/dbraw/zinc/24/16/93/1167241693.db2.gz GXSDJARFKNQYLN-LQJRIPTKSA-N 1 0 299.334 1.948 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[NH2+]2)c1C ZINC001579734844 1172250595 /nfs/dbraw/zinc/25/05/95/1172250595.db2.gz OZELXXDRXIBSIZ-SNVBAGLBSA-N 1 0 263.297 1.303 20 5 CDBDRO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1F ZINC001580251776 1172385386 /nfs/dbraw/zinc/38/53/86/1172385386.db2.gz NOOYOZHIHSCANL-LKFCYVNXSA-N 1 0 293.298 1.687 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CC[NH2+]1 ZINC001580569970 1172470506 /nfs/dbraw/zinc/47/05/06/1172470506.db2.gz JHHWFWRFKQSFSX-SECBINFHSA-N 1 0 283.715 1.269 20 5 CDBDRO O=C(NC[C@H]1CC[NH2+]1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC001580661720 1172504838 /nfs/dbraw/zinc/50/48/38/1172504838.db2.gz SDAYKGASQVOMBN-MRVPVSSYSA-N 1 0 274.280 1.168 20 5 CDBDRO O=C(Oc1c(F)cc(F)cc1[N+](=O)[O-])OC1C[NH2+]C1 ZINC001580802921 1172545619 /nfs/dbraw/zinc/54/56/19/1172545619.db2.gz FOKKELKVOYJPAJ-UHFFFAOYSA-N 1 0 274.179 1.360 20 5 CDBDRO O=[N+]([O-])c1c(N2C[C@H]3CC[NH2+]C[C@H]3C2)nc2sccn21 ZINC001580875050 1172558775 /nfs/dbraw/zinc/55/87/75/1172558775.db2.gz VWIIDTBZRIJQJN-BDAKNGLRSA-N 1 0 293.352 1.350 20 5 CDBDRO C[C@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)[NH+](C)C ZINC001589876756 1173191949 /nfs/dbraw/zinc/19/19/49/1173191949.db2.gz PMUAPRLXUWIUIX-MRVPVSSYSA-N 1 0 291.315 1.137 20 5 CDBDRO [NH3+]CCNC(=O)c1cccc2nc3ccccc3nc21 ZINC000218939950 1177896180 /nfs/dbraw/zinc/89/61/80/1177896180.db2.gz WAVCMNOWYXJGFH-UHFFFAOYSA-N 1 0 266.304 1.472 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC000155792657 1178166942 /nfs/dbraw/zinc/16/69/42/1178166942.db2.gz SGVIAYOMAQGCMI-AOOOYVTPSA-N 1 0 265.313 1.790 20 5 CDBDRO Cc1nc(Cl)nc(N(C)CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000234306172 1178217239 /nfs/dbraw/zinc/21/72/39/1178217239.db2.gz MXAZVHZHYQSEEL-UHFFFAOYSA-N 1 0 299.762 1.879 20 5 CDBDRO Cc1cccc(C[N@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001753049238 1185018538 /nfs/dbraw/zinc/01/85/38/1185018538.db2.gz WEHYARAILOATOD-ZIAGYGMSSA-N 1 0 291.351 1.208 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000401211993 1186406662 /nfs/dbraw/zinc/40/66/62/1186406662.db2.gz AMGBLAVWOPPNHM-VWYCJHECSA-N 1 0 277.324 1.806 20 5 CDBDRO C[NH2+]C1(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CCC1 ZINC000312555681 1186700454 /nfs/dbraw/zinc/70/04/54/1186700454.db2.gz MLWSQBBCJYVRNS-UHFFFAOYSA-N 1 0 279.296 1.684 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@]1(O)CCO[C@@H]1C ZINC000873116527 723091469 /nfs/dbraw/zinc/09/14/69/723091469.db2.gz IUJHKASXMAYCDY-IUODEOHRSA-N 1 0 294.351 1.841 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2(CO)CCCCC2)c1 ZINC000776592096 723101280 /nfs/dbraw/zinc/10/12/80/723101280.db2.gz YMZCRIWARLYIEQ-AWEZNQCLSA-N 1 0 294.351 1.913 20 5 CDBDRO Cc1cnc(NCCN2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000721986391 723117812 /nfs/dbraw/zinc/11/78/12/723117812.db2.gz NJAJZCDXJAZZCJ-UHFFFAOYSA-N 1 0 279.344 1.133 20 5 CDBDRO C[C@H](CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000855417162 723171011 /nfs/dbraw/zinc/17/10/11/723171011.db2.gz CZDUTACZSFYKSZ-MFKMUULPSA-N 1 0 295.339 1.085 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCOC2)c1 ZINC000819187206 723226998 /nfs/dbraw/zinc/22/69/98/723226998.db2.gz DDMZZSNWTKYJJP-ZYHUDNBSSA-N 1 0 252.270 1.007 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](c2ccccn2)C2CC2)n1 ZINC000932378028 723260064 /nfs/dbraw/zinc/26/00/64/723260064.db2.gz KGUTZFNRROWIET-AWEZNQCLSA-N 1 0 287.323 1.927 20 5 CDBDRO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000886004184 723323717 /nfs/dbraw/zinc/32/37/17/723323717.db2.gz UWUYMOLAWQANLF-NSHDSACASA-N 1 0 265.313 1.848 20 5 CDBDRO O=C(NCC1C[NH2+]C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000261924665 723521247 /nfs/dbraw/zinc/52/12/47/723521247.db2.gz ASHAXMNWUOGYTP-UHFFFAOYSA-N 1 0 269.688 1.197 20 5 CDBDRO CON(C)C(=O)[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000877659163 723582460 /nfs/dbraw/zinc/58/24/60/723582460.db2.gz KOQVTNNHKMOXJX-JTQLQIEISA-N 1 0 281.312 1.135 20 5 CDBDRO COCC[C@@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000230236871 723618443 /nfs/dbraw/zinc/61/84/43/723618443.db2.gz MRBUAEVXGMLNSP-CQSZACIVSA-N 1 0 282.340 1.780 20 5 CDBDRO O=C(CN1C[C@@H]2C[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000886340930 723668772 /nfs/dbraw/zinc/66/87/72/723668772.db2.gz NHGAYSMLVGESRK-TXEJJXNPSA-N 1 0 287.319 1.436 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[NH2+]C2)c1C ZINC000884017471 723682551 /nfs/dbraw/zinc/68/25/51/723682551.db2.gz XWVYLNCOLRRMFJ-GFCCVEGCSA-N 1 0 291.351 1.941 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2CC[NH+](C3CCCC3)CC2)n1 ZINC001165028001 721855525 /nfs/dbraw/zinc/85/55/25/721855525.db2.gz HAOAPYWZUFNVCV-UHFFFAOYSA-N 1 0 291.355 1.758 20 5 CDBDRO C[S@](=O)CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000229235537 723062694 /nfs/dbraw/zinc/06/26/94/723062694.db2.gz ZPVJSPPACUSTKT-SFHVURJKSA-N 1 0 270.354 1.496 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CCC([NH2+]CC2CC2)CC1 ZINC000886829815 723112283 /nfs/dbraw/zinc/11/22/83/723112283.db2.gz HKHXIIAZGLXVDB-UHFFFAOYSA-N 1 0 290.367 1.954 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3cc(F)c([N+](=O)[O-])cc3CO)C[C@H]21 ZINC000865856215 723422436 /nfs/dbraw/zinc/42/24/36/723422436.db2.gz NMUOQDKPDABAMJ-MSRIBSCDSA-N 1 0 295.314 1.222 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C)C1 ZINC000866258955 723427697 /nfs/dbraw/zinc/42/76/97/723427697.db2.gz DSWJVKMLBYFNCJ-ZWNOBZJWSA-N 1 0 281.331 1.959 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[N@@H+](C)CC1 ZINC000873748652 723449517 /nfs/dbraw/zinc/44/95/17/723449517.db2.gz AJLBUSDVRYUAEO-UHFFFAOYSA-N 1 0 291.351 1.989 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865503116 723560561 /nfs/dbraw/zinc/56/05/61/723560561.db2.gz SEPWYVJFFLAYMG-LLVKDONJSA-N 1 0 297.330 1.757 20 5 CDBDRO [NH2+]=C(NCCc1cccc([N+](=O)[O-])c1)NCC(F)F ZINC000887356815 723579877 /nfs/dbraw/zinc/57/98/77/723579877.db2.gz RCYWMMZGHNPITH-UHFFFAOYSA-N 1 0 272.255 1.516 20 5 CDBDRO CCN1C[C@H]([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1=O ZINC000873131878 723597645 /nfs/dbraw/zinc/59/76/45/723597645.db2.gz YJOOBQIREOLOIJ-GFCCVEGCSA-N 1 0 291.351 1.922 20 5 CDBDRO C[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C[NH+](C)C ZINC000832560181 723662717 /nfs/dbraw/zinc/66/27/17/723662717.db2.gz WSSYNTZWCXADDJ-SNVBAGLBSA-N 1 0 259.350 1.136 20 5 CDBDRO C[C@@H]1C[C@H](CO)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000817277303 723674232 /nfs/dbraw/zinc/67/42/32/723674232.db2.gz HKNSPBQKAWUCNX-TYNCELHUSA-N 1 0 294.351 1.579 20 5 CDBDRO COC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000126724488 1166106060 /nfs/dbraw/zinc/10/60/60/1166106060.db2.gz OUPKSZADVHGXEC-UONOGXRCSA-N 1 0 282.340 1.889 20 5 CDBDRO CC[NH2+][C@H](C)CNCc1cccc([N+](=O)[O-])c1C ZINC001577887218 1167681211 /nfs/dbraw/zinc/68/12/11/1167681211.db2.gz UTKMRPZSHHVFLO-SNVBAGLBSA-N 1 0 251.330 1.991 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2CC(=O)C2)c1F ZINC001173176475 912280669 /nfs/dbraw/zinc/28/06/69/912280669.db2.gz HKLFWNSHHYNFKA-MRVPVSSYSA-N 1 0 296.298 1.995 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCO)c1F ZINC001173175254 912280945 /nfs/dbraw/zinc/28/09/45/912280945.db2.gz MITFGWIPPTWXNF-QMMMGPOBSA-N 1 0 272.276 1.255 20 5 CDBDRO CC[C@@H](O)C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215190 912297427 /nfs/dbraw/zinc/29/74/27/912297427.db2.gz UFILVKFSQOQPGX-GXFFZTMASA-N 1 0 252.314 1.886 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCN(C)C1=O ZINC001173218758 912300170 /nfs/dbraw/zinc/30/01/70/912300170.db2.gz LQEMIEHNZACTIE-RISCZKNCSA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CN(C)CCO1 ZINC001173209780 912331207 /nfs/dbraw/zinc/33/12/07/912331207.db2.gz GCJIWRDMXPJKSS-IUODEOHRSA-N 1 0 293.367 1.446 20 5 CDBDRO CN1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)CCC1=O ZINC001167246938 894954904 /nfs/dbraw/zinc/95/49/04/894954904.db2.gz RBPAUFAPZMJHON-LLVKDONJSA-N 1 0 290.323 1.231 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(-n2ccc3cc(C[NH3+])cnc32)n1 ZINC001167301375 895168703 /nfs/dbraw/zinc/16/87/03/895168703.db2.gz CJSREBDTMXJGFG-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO CC(C)[N@H+](CCO)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000050103709 896881983 /nfs/dbraw/zinc/88/19/83/896881983.db2.gz ZJADWMMVPOGKJW-UHFFFAOYSA-N 1 0 256.277 1.937 20 5 CDBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001167624628 897085751 /nfs/dbraw/zinc/08/57/51/897085751.db2.gz CAKMSTKCLCZPCN-UHFFFAOYSA-N 1 0 294.355 1.713 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1ccc(N)c([N+](=O)[O-])c1 ZINC001218046090 898323746 /nfs/dbraw/zinc/32/37/46/898323746.db2.gz RTXDYMSZIFVXIJ-PRHODGIISA-N 1 0 251.286 1.554 20 5 CDBDRO COc1cc(-n2nc(C[NH3+])c3ccccc32)cnc1[N+](=O)[O-] ZINC001167697738 898579032 /nfs/dbraw/zinc/57/90/32/898579032.db2.gz DIVNDXBCAXYDAG-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO C[NH2+]CCNc1nc2cc([N+](=O)[O-])ccc2nc1Cl ZINC001167723491 899359242 /nfs/dbraw/zinc/35/92/42/899359242.db2.gz XRXVXBMFZKEYIV-UHFFFAOYSA-N 1 0 281.703 1.823 20 5 CDBDRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000313450783 900414548 /nfs/dbraw/zinc/41/45/48/900414548.db2.gz BZQNVAIMGTXDDU-ZYHUDNBSSA-N 1 0 277.324 1.742 20 5 CDBDRO COC(=O)c1c(CO[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC001223294070 901171549 /nfs/dbraw/zinc/17/15/49/901171549.db2.gz HAYGLGJCKXRPML-SNVBAGLBSA-N 1 0 296.323 1.848 20 5 CDBDRO COC(=O)c1ccc(OC)cc1O[C@@H](C)C[N+](C)(C)C ZINC001225599069 903219308 /nfs/dbraw/zinc/21/93/08/903219308.db2.gz QXCXZITYOSCPMT-NSHDSACASA-N 1 0 282.360 1.955 20 5 CDBDRO O=C(NCC[NH2+]Cc1ccccc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936684 909938840 /nfs/dbraw/zinc/93/88/40/909938840.db2.gz QKXHDDYIHHCZJV-ZYHUDNBSSA-N 1 0 297.742 1.211 20 5 CDBDRO CCOC(=O)[C@@H]1CC[C@H](OCCC[N+](C)(C)C)CO1 ZINC001224622704 909980191 /nfs/dbraw/zinc/98/01/91/909980191.db2.gz IXONLSMBHRSAJP-STQMWFEESA-N 1 0 274.381 1.210 20 5 CDBDRO CC(=O)CC(C)(C)Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001171498247 910792867 /nfs/dbraw/zinc/79/28/67/910792867.db2.gz JGZLACWTWZXPIR-UHFFFAOYSA-N 1 0 293.327 1.241 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CC(O)C1)CC2 ZINC001172909155 912038038 /nfs/dbraw/zinc/03/80/38/912038038.db2.gz PIWMOGQZQJJNRB-GFCCVEGCSA-N 1 0 262.309 1.519 20 5 CDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc[nH]c1 ZINC001127901720 918985821 /nfs/dbraw/zinc/98/58/21/918985821.db2.gz CEGSXZGKVUWNMY-UHFFFAOYSA-N 1 0 288.307 1.443 20 5 CDBDRO Cc1cc(Cl)nc(N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)c1[N+](=O)[O-] ZINC001165383158 925021182 /nfs/dbraw/zinc/02/11/82/925021182.db2.gz PLNMTYQOXNOSCJ-SRSLHRDFSA-N 1 0 268.704 1.345 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001165391490 925022480 /nfs/dbraw/zinc/02/24/80/925022480.db2.gz NZTNIUQMSDCOKQ-WPRPVWTQSA-N 1 0 252.249 1.070 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000843480405 937154475 /nfs/dbraw/zinc/15/44/75/937154475.db2.gz WTUXEZUVWCDVSN-KKFJDGPESA-N 1 0 292.339 1.293 20 5 CDBDRO [NH3+][C@H]1CCc2nn(-c3ccc4c([N+](=O)[O-])c[nH]c4n3)cc2C1 ZINC001168808232 927461892 /nfs/dbraw/zinc/46/18/92/927461892.db2.gz LRGXPOBBNCPBKB-VIFPVBQESA-N 1 0 298.306 1.473 20 5 CDBDRO [NH3+]CCc1cnn(-c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC001168946642 927551483 /nfs/dbraw/zinc/55/14/83/927551483.db2.gz OKBASZSTYFATFC-UHFFFAOYSA-N 1 0 266.688 1.935 20 5 CDBDRO CC(C)NC(=O)[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)C ZINC001168977403 927562384 /nfs/dbraw/zinc/56/23/84/927562384.db2.gz BFTBQJCQCMMAAM-AVGNSLFASA-N 1 0 285.388 1.571 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C[C@@H](O)c2cccnc2)C1 ZINC001168979161 927564867 /nfs/dbraw/zinc/56/48/67/927564867.db2.gz WQYJHAVSGLDDBH-CYZMBNFOSA-N 1 0 265.313 1.150 20 5 CDBDRO O=C1CCCCCN1CCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168979889 927569109 /nfs/dbraw/zinc/56/91/09/927569109.db2.gz BWOSSSBWHSKBJV-KBPBESRZSA-N 1 0 297.399 1.814 20 5 CDBDRO CC(C)[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)N1CCCC1 ZINC001168984928 927572666 /nfs/dbraw/zinc/57/26/66/927572666.db2.gz RFELXKVNUWDKGP-RDBSUJKOSA-N 1 0 297.399 1.668 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C1 ZINC001168956316 927577717 /nfs/dbraw/zinc/57/77/17/927577717.db2.gz DKTZCXOPZBWTTE-LERXQTSPSA-N 1 0 282.315 1.894 20 5 CDBDRO NC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168962368 927584359 /nfs/dbraw/zinc/58/43/59/927584359.db2.gz LVRAYOHUOFCMNW-RDBSUJKOSA-N 1 0 291.351 1.118 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CN3CCC2CC3)C1 ZINC001168963906 927586234 /nfs/dbraw/zinc/58/62/34/927586234.db2.gz QMTUTVQQCOPWPU-UHTWSYAYSA-N 1 0 253.346 1.116 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC001168965331 927588769 /nfs/dbraw/zinc/58/87/69/927588769.db2.gz ZUJDBGBWQXHOEX-QWHCGFSZSA-N 1 0 256.346 1.838 20 5 CDBDRO CCOC(=O)CCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168971958 927594020 /nfs/dbraw/zinc/59/40/20/927594020.db2.gz MAWBTHVLZMTTRK-MNOVXSKESA-N 1 0 258.318 1.365 20 5 CDBDRO O=C(C1CC1)N1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168995023 927600860 /nfs/dbraw/zinc/60/08/60/927600860.db2.gz RAUUUNIPJUJPEM-RTXFEEFZSA-N 1 0 281.356 1.032 20 5 CDBDRO O=C(C1CC1)N1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168995026 927601144 /nfs/dbraw/zinc/60/11/44/927601144.db2.gz RAUUUNIPJUJPEM-UHTWSYAYSA-N 1 0 281.356 1.032 20 5 CDBDRO CN(C)C(=O)C1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1 ZINC001169002290 927605143 /nfs/dbraw/zinc/60/51/43/927605143.db2.gz KFCCHEGWMLVTMN-MNOVXSKESA-N 1 0 269.345 1.032 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc3n(n2)CCCO3)C1 ZINC001169007589 927611112 /nfs/dbraw/zinc/61/11/12/927611112.db2.gz OIVDUSOUTBKDSW-GHMZBOCLSA-N 1 0 280.328 1.201 20 5 CDBDRO CC(=O)NC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169006357 927611165 /nfs/dbraw/zinc/61/11/65/927611165.db2.gz GUXBBJKKUKACAW-DGCLKSJQSA-N 1 0 269.345 1.032 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCc3cnccc3C2)C1 ZINC001169008684 927614212 /nfs/dbraw/zinc/61/42/12/927614212.db2.gz TVYNVJXTWSAHLL-RISCZKNCSA-N 1 0 261.325 1.885 20 5 CDBDRO C[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H]1CO ZINC001169011411 927616306 /nfs/dbraw/zinc/61/63/06/927616306.db2.gz KEHIELMOPGUKND-YVECIDJPSA-N 1 0 256.346 1.525 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)C1 ZINC001169011927 927617740 /nfs/dbraw/zinc/61/77/40/927617740.db2.gz NREBKQGYNFANLJ-ZDCRXTMVSA-N 1 0 296.289 1.534 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(O)(C(F)(F)F)CC2)C1 ZINC001169012556 927620548 /nfs/dbraw/zinc/62/05/48/927620548.db2.gz RDCSNWBYNDBTAB-ZJUUUORDSA-N 1 0 296.289 1.821 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@@](O)(CF)C2)C1 ZINC001169013770 927620589 /nfs/dbraw/zinc/62/05/89/927620589.db2.gz WHXHBPDTYRUUSO-JHJVBQTASA-N 1 0 274.336 1.618 20 5 CDBDRO O=C1N[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc21 ZINC001168987016 927622088 /nfs/dbraw/zinc/62/20/88/927622088.db2.gz HDUVQZWKKWPFLF-BREBYQMCSA-N 1 0 275.308 1.464 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(CO)Cc3ccccc3C2)C1 ZINC001168988154 927624709 /nfs/dbraw/zinc/62/47/09/927624709.db2.gz OMKXAHXJWZYJTG-DOMZBBRYSA-N 1 0 290.363 1.551 20 5 CDBDRO [NH3+]Cc1ncccc1N[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168988860 927626794 /nfs/dbraw/zinc/62/67/94/927626794.db2.gz UFDQEDSVIHPAFK-VHSXEESVSA-N 1 0 250.302 1.398 20 5 CDBDRO CC(=O)C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169034268 927642427 /nfs/dbraw/zinc/64/24/27/927642427.db2.gz GLMBILXUNLTYAV-DGCLKSJQSA-N 1 0 254.330 1.733 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(CC(F)F)CC2)C1 ZINC001169035515 927644015 /nfs/dbraw/zinc/64/40/15/927644015.db2.gz BRKYVBIUCIUZRB-GHMZBOCLSA-N 1 0 277.315 1.315 20 5 CDBDRO Cc1ncc(C[N@@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001169036525 927645069 /nfs/dbraw/zinc/64/50/69/927645069.db2.gz GJRWISAVBQKPCP-AAEUAGOBSA-N 1 0 264.329 1.662 20 5 CDBDRO Cn1cnc2c1CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169039227 927649548 /nfs/dbraw/zinc/64/95/48/927649548.db2.gz OGPXDPPJDGSAQD-WDEREUQCSA-N 1 0 264.329 1.224 20 5 CDBDRO COC(=O)[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169038316 927650386 /nfs/dbraw/zinc/65/03/86/927650386.db2.gz YAGNFTJTOOZEMA-WUHRBBMRSA-N 1 0 284.356 1.563 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(c3cncnc3)CC2)C1 ZINC001169039827 927652872 /nfs/dbraw/zinc/65/28/72/927652872.db2.gz UKGUHUGGWIPFDY-OLZOCXBDSA-N 1 0 291.355 1.044 20 5 CDBDRO O=c1[nH]ccc2c1CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169047432 927666315 /nfs/dbraw/zinc/66/63/15/927666315.db2.gz QYNWVVXVAMLBKS-PWSUYJOCSA-N 1 0 277.324 1.591 20 5 CDBDRO CC[N@H+](CCC(=O)OC)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169047037 927666708 /nfs/dbraw/zinc/66/67/08/927666708.db2.gz QEPUSMLXMARTKI-GHMZBOCLSA-N 1 0 258.318 1.317 20 5 CDBDRO CN(C)C(=O)N[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169055320 927672649 /nfs/dbraw/zinc/67/26/49/927672649.db2.gz PLIIIHOWGQFOJV-UPJWGTAASA-N 1 0 298.387 1.167 20 5 CDBDRO COC(=O)[C@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1C ZINC001169057697 927676130 /nfs/dbraw/zinc/67/61/30/927676130.db2.gz XBBSSQIAIGRJFE-QCNOEVLYSA-N 1 0 270.329 1.173 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857764321 928744933 /nfs/dbraw/zinc/74/49/33/928744933.db2.gz OZFRSSDOZQZYRX-SSDOTTSWSA-N 1 0 289.238 1.030 20 5 CDBDRO COc1cc(C)nc(N[C@@H](C)[C@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001159500200 930316093 /nfs/dbraw/zinc/31/60/93/930316093.db2.gz WLWPPDFQAHGUIU-GXSJLCMTSA-N 1 0 296.327 1.096 20 5 CDBDRO CC(C)[NH2+]C1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886062899 930797993 /nfs/dbraw/zinc/79/79/93/930797993.db2.gz YVKOPWGARMVYTQ-UHFFFAOYSA-N 1 0 278.356 1.952 20 5 CDBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886130175 930810740 /nfs/dbraw/zinc/81/07/40/930810740.db2.gz XMWUSICQSORWON-VHSXEESVSA-N 1 0 281.312 1.667 20 5 CDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000137338065 930823117 /nfs/dbraw/zinc/82/31/17/930823117.db2.gz DCQVVKYACMQGSP-GFCCVEGCSA-N 1 0 292.339 1.128 20 5 CDBDRO CC1(C)[C@H](NCc2cccnc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000886841623 930974202 /nfs/dbraw/zinc/97/42/02/930974202.db2.gz QWPICVCODWZTPW-VHSXEESVSA-N 1 0 250.302 1.205 20 5 CDBDRO CC[N@@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286768163 931718529 /nfs/dbraw/zinc/71/85/29/931718529.db2.gz ZRECNWJQOWXKAV-ZDUSSCGKSA-N 1 0 293.367 2.000 20 5 CDBDRO CC(C)([NH3+])CNc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001171188326 931840085 /nfs/dbraw/zinc/84/00/85/931840085.db2.gz DNRUZYFSASTWPO-UHFFFAOYSA-N 1 0 279.275 1.826 20 5 CDBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001117779885 937552946 /nfs/dbraw/zinc/55/29/46/937552946.db2.gz BZILBXOVSSGRRY-VXGBXAGGSA-N 1 0 285.388 1.811 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NC/C=C/C[NH3+])n1 ZINC001160976583 932277444 /nfs/dbraw/zinc/27/74/44/932277444.db2.gz AMHNMTPFLODZNM-NSCUHMNNSA-N 1 0 257.681 1.273 20 5 CDBDRO [NH3+]CC1(CC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001118144383 937595456 /nfs/dbraw/zinc/59/54/56/937595456.db2.gz YILSNCHOXBIQBT-UHFFFAOYSA-N 1 0 275.308 1.566 20 5 CDBDRO Cc1nc(NC[C@@H]2C[C@H](F)C[NH2+]2)ccc1[N+](=O)[O-] ZINC001155028569 937623343 /nfs/dbraw/zinc/62/33/43/937623343.db2.gz CMNHLZPRVNOYKO-IUCAKERBSA-N 1 0 254.265 1.410 20 5 CDBDRO Cc1c(C)c(N[C@@H]2CC[NH2+][C@@H]2C)ncc1[N+](=O)[O-] ZINC001155188012 937646552 /nfs/dbraw/zinc/64/65/52/937646552.db2.gz LWLFVTBRPNWLHQ-NXEZZACHSA-N 1 0 250.302 1.769 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCO[C@H]1CCOC1 ZINC000927082972 933043722 /nfs/dbraw/zinc/04/37/22/933043722.db2.gz ISLIWMYJRGSEOD-FZMZJTMJSA-N 1 0 292.335 1.977 20 5 CDBDRO CC[C@H](CO)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000931771492 933621783 /nfs/dbraw/zinc/62/17/83/933621783.db2.gz KVPKXQYNMCOMOG-ZWNOBZJWSA-N 1 0 293.323 1.061 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000692003110 934125893 /nfs/dbraw/zinc/12/58/93/934125893.db2.gz NLCVTDSMNMTRIQ-UHFFFAOYSA-N 1 0 269.276 1.543 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000092627327 934895859 /nfs/dbraw/zinc/89/58/59/934895859.db2.gz OGSQUYLYUWHULS-LLVKDONJSA-N 1 0 295.314 1.900 20 5 CDBDRO CCN(CCC[NH+]1CCCC1)c1cc(N)c([N+](=O)[O-])cn1 ZINC001120839124 937841001 /nfs/dbraw/zinc/84/10/01/937841001.db2.gz PQYPUUXJCDVKIA-UHFFFAOYSA-N 1 0 293.371 1.884 20 5 CDBDRO CC(C)([NH3+])CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001122207416 937913086 /nfs/dbraw/zinc/91/30/86/937913086.db2.gz GZSXXERUEOUVKU-OLZOCXBDSA-N 1 0 291.351 1.942 20 5 CDBDRO [NH3+]C1(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001122348579 937923883 /nfs/dbraw/zinc/92/38/83/937923883.db2.gz KNBMLDWUANXOQS-UHFFFAOYSA-N 1 0 269.688 1.469 20 5 CDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(F)F ZINC001122372877 937926132 /nfs/dbraw/zinc/92/61/32/937926132.db2.gz TWQRAMWOZMFFTR-UHFFFAOYSA-N 1 0 273.239 1.066 20 5 CDBDRO C[C@H]([NH3+])c1ccn(-c2nccc(Cl)c2[N+](=O)[O-])n1 ZINC001158344625 938611061 /nfs/dbraw/zinc/61/10/61/938611061.db2.gz FQXMSTFCWWBIHP-LURJTMIESA-N 1 0 267.676 1.849 20 5 CDBDRO C[C@H]([NH3+])c1ccn(-c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])n1 ZINC001158351194 938613092 /nfs/dbraw/zinc/61/30/92/938613092.db2.gz XBWNMRLVLYXAJX-LURJTMIESA-N 1 0 283.675 1.087 20 5 CDBDRO COc1cc(N2CC3(C2)CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001159019369 938691298 /nfs/dbraw/zinc/69/12/98/938691298.db2.gz HWWNQSXIJUCTMP-UHFFFAOYSA-N 1 0 278.312 1.188 20 5 CDBDRO COc1cc(C)nc(NCC2C[NH+](C)C2)c1[N+](=O)[O-] ZINC001159219254 938713255 /nfs/dbraw/zinc/71/32/55/938713255.db2.gz YDOCYRLJNYWKQP-UHFFFAOYSA-N 1 0 266.301 1.280 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001159743932 938749404 /nfs/dbraw/zinc/74/94/04/938749404.db2.gz OAQYAMSDQNSPTA-GFCCVEGCSA-N 1 0 277.284 1.007 20 5 CDBDRO Cc1nc(Cl)nc(NC[C@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC001160144355 938771101 /nfs/dbraw/zinc/77/11/01/938771101.db2.gz CDXBEAZFCNRRKC-MRVPVSSYSA-N 1 0 285.735 1.901 20 5 CDBDRO COc1nc(NCC[C@H]2CCC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC001160966478 938852016 /nfs/dbraw/zinc/85/20/16/938852016.db2.gz KGWGJBXJNIKGFD-SECBINFHSA-N 1 0 281.316 1.290 20 5 CDBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1N[C@@H]1CC[NH2+][C@@H]1C ZINC001162681073 939114160 /nfs/dbraw/zinc/11/41/60/939114160.db2.gz WIEIXVJELPVJDB-NXEZZACHSA-N 1 0 293.323 1.852 20 5 CDBDRO CCOc1cc(N[C@@H]2COC[C@@H]2[NH3+])ccc1[N+](=O)[O-] ZINC001162925995 939162148 /nfs/dbraw/zinc/16/21/48/939162148.db2.gz HBMQOGQGGFMTNR-VHSXEESVSA-N 1 0 267.285 1.132 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001162984594 939169435 /nfs/dbraw/zinc/16/94/35/939169435.db2.gz LBKQFYZYDOYZGJ-GXFFZTMASA-N 1 0 278.312 1.695 20 5 CDBDRO Cc1cnc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC001163172089 939218872 /nfs/dbraw/zinc/21/88/72/939218872.db2.gz QHZHLEFHNSNNFK-NQBHXWOUSA-N 1 0 292.339 1.335 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)cnc1F ZINC001163328809 939249247 /nfs/dbraw/zinc/24/92/47/939249247.db2.gz RVBFKMPKSQAITJ-ZANVPECISA-N 1 0 296.302 1.452 20 5 CDBDRO COc1ccnc(N[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC001163772369 939326707 /nfs/dbraw/zinc/32/67/07/939326707.db2.gz LFQCQSOLXUFEOI-QMMMGPOBSA-N 1 0 254.290 1.360 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cc(-n2cnc3c2C[NH2+]CC3)n1 ZINC001164313952 939452323 /nfs/dbraw/zinc/45/23/23/939452323.db2.gz XRQLGXKPZPRENJ-UHFFFAOYSA-N 1 0 279.687 1.475 20 5 CDBDRO C[C@@H]1CC[C@@H](C[NH3+])CN1c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001164463174 939476034 /nfs/dbraw/zinc/47/60/34/939476034.db2.gz XQJNKSNTTFXOQJ-BDAKNGLRSA-N 1 0 295.299 1.462 20 5 CDBDRO C[C@@H]1CC[C@@H](C[NH3+])CN1c1ncc([N+](=O)[O-])cc1N ZINC001164467063 939476395 /nfs/dbraw/zinc/47/63/95/939476395.db2.gz DJCGHCRZWHGQAB-BDAKNGLRSA-N 1 0 265.317 1.136 20 5 CDBDRO Cc1c(C)c(N2C[C@H]3C[NH+](C)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165146748 939518023 /nfs/dbraw/zinc/51/80/23/939518023.db2.gz BMYQKNSTVFCAMM-VXGBXAGGSA-N 1 0 276.340 1.604 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001165393425 939557819 /nfs/dbraw/zinc/55/78/19/939557819.db2.gz SVIHSWCSEIJOGM-YPMHNXCESA-N 1 0 285.307 1.479 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(N3CCC[C@H]4[NH2+]C[C@@H]43)c2c1 ZINC001165394350 939558514 /nfs/dbraw/zinc/55/85/14/939558514.db2.gz WXOKLYAJZRLICM-OLZOCXBDSA-N 1 0 285.307 1.479 20 5 CDBDRO [NH3+]CCc1nccn1-c1cc2cccnc2c([N+](=O)[O-])c1 ZINC001166370346 939606399 /nfs/dbraw/zinc/60/63/99/939606399.db2.gz WZDDVNSDIJODQG-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO C[C@H]1CCCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)[C@H]1C ZINC001166613643 939619566 /nfs/dbraw/zinc/61/95/66/939619566.db2.gz GTMBTPQFOSNOQO-UWVGGRQHSA-N 1 0 291.355 1.696 20 5 CDBDRO Nc1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)ncc1[N+](=O)[O-] ZINC001166902229 939647367 /nfs/dbraw/zinc/64/73/67/939647367.db2.gz BMPYZXIZYOTOIB-GFCCVEGCSA-N 1 0 291.355 1.540 20 5 CDBDRO Cc1c(C)c(N2C[C@@H]([NH3+])[C@@H](F)C2)ncc1[N+](=O)[O-] ZINC001166929858 939651596 /nfs/dbraw/zinc/65/15/96/939651596.db2.gz CWAUOGZXCVYFRD-DTWKUNHWSA-N 1 0 254.265 1.092 20 5 CDBDRO CCCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001205229399 939839636 /nfs/dbraw/zinc/83/96/36/939839636.db2.gz AXUJJTLFASUTEH-ZIAGYGMSSA-N 1 0 297.399 1.670 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCOCc1ccccc1 ZINC001205267318 939843745 /nfs/dbraw/zinc/84/37/45/939843745.db2.gz CSLZKICFFGWBGZ-CQSZACIVSA-N 1 0 282.360 1.161 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCS(=O)(=O)c1ccccc1 ZINC001206103857 939981843 /nfs/dbraw/zinc/98/18/43/939981843.db2.gz WAKAJUFBNLLNBX-GFCCVEGCSA-N 1 0 272.390 1.529 20 5 CDBDRO C[C@@H](OCC[NH+](C)C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001206272509 940010620 /nfs/dbraw/zinc/01/06/20/940010620.db2.gz HSBIKGGLSPYTMX-SECBINFHSA-N 1 0 282.296 1.963 20 5 CDBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1O[C@H]1CCC[NH2+]C1 ZINC001218285335 941052241 /nfs/dbraw/zinc/05/22/41/941052241.db2.gz KDFQBEUUCHUSNU-QMMMGPOBSA-N 1 0 267.241 1.634 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOCc2cccc([N+](=O)[O-])c2)C1 ZINC001222771519 941633006 /nfs/dbraw/zinc/63/30/06/941633006.db2.gz YXXWDVISNGQORA-CQSZACIVSA-N 1 0 280.324 1.832 20 5 CDBDRO COC(=O)c1ccoc1CO[C@@H](C)C[N+](C)(C)C ZINC001223067358 941655542 /nfs/dbraw/zinc/65/55/42/941655542.db2.gz FCYMKPARBPQMJV-JTQLQIEISA-N 1 0 256.322 1.678 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@H]1CC[N@H+](C)C1 ZINC001223450237 941678547 /nfs/dbraw/zinc/67/85/47/941678547.db2.gz NGYKYSUETPJKMP-LBPRGKRZSA-N 1 0 294.307 1.602 20 5 CDBDRO COc1cc(OC)nc(CO[C@@H](C)C[N+](C)(C)C)n1 ZINC001223761165 941696920 /nfs/dbraw/zinc/69/69/20/941696920.db2.gz NNEDFDMQCOUKQZ-JTQLQIEISA-N 1 0 270.353 1.105 20 5 CDBDRO C[N@@H+]1CC[C@H](OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001224094861 941719401 /nfs/dbraw/zinc/71/94/01/941719401.db2.gz GKNISBGKICVEEY-NSHDSACASA-N 1 0 281.268 1.724 20 5 CDBDRO CCOC(=O)C[C@H](OCCC[N+](C)(C)C)C(F)(F)F ZINC001224619080 941776336 /nfs/dbraw/zinc/77/63/36/941776336.db2.gz JWIZDMJAUCIJSP-JTQLQIEISA-N 1 0 286.314 1.983 20 5 CDBDRO C[N+](C)(C)CCOC[C@H]1CN(Cc2ccccc2)CCO1 ZINC001224772194 941789852 /nfs/dbraw/zinc/78/98/52/941789852.db2.gz WQWUMPJSHPFUMB-QGZVFWFLSA-N 1 0 293.431 1.610 20 5 CDBDRO CC[NH+](CC)CCO[C@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001224928535 941805362 /nfs/dbraw/zinc/80/53/62/941805362.db2.gz UCZXVHJHEPHTGS-LLVKDONJSA-N 1 0 284.360 1.847 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1nc(=O)[nH]cc1C(F)(F)F ZINC001225577482 941883315 /nfs/dbraw/zinc/88/33/15/941883315.db2.gz XBZOVHRBRYLFKF-ZETCQYMHSA-O 1 0 280.270 1.675 20 5 CDBDRO C[NH+](C)[C@H]1CC[C@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])CC1 ZINC001225667972 941897509 /nfs/dbraw/zinc/89/75/09/941897509.db2.gz XKBFRKFYZRGKIG-MGCOHNPYSA-N 1 0 281.312 1.947 20 5 CDBDRO CCOC(=O)c1cc(O[C@H](C)C[N+](C)(C)C)n(C)n1 ZINC001226560369 942025971 /nfs/dbraw/zinc/02/59/71/942025971.db2.gz DMYAWAALHZZPQA-SNVBAGLBSA-N 1 0 270.353 1.070 20 5 CDBDRO CSc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001228158718 942277219 /nfs/dbraw/zinc/27/72/19/942277219.db2.gz SSBIAOWCHIQGLO-LLVKDONJSA-N 1 0 284.401 1.771 20 5 CDBDRO CCOC(=O)c1ncccc1O[C@H](C)C[N+](C)(C)C ZINC001229149089 942425581 /nfs/dbraw/zinc/42/55/81/942425581.db2.gz DXFNXUHCOPMPHR-LLVKDONJSA-N 1 0 267.349 1.732 20 5 CDBDRO CCC(=O)NCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001230969784 942745424 /nfs/dbraw/zinc/74/54/24/942745424.db2.gz SUKFAGSMWKVJKV-UHFFFAOYSA-N 1 0 279.340 1.943 20 5 CDBDRO CCc1cccc(OC)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001234640006 943922691 /nfs/dbraw/zinc/92/26/91/943922691.db2.gz MUWJGGBEBDWGFW-CYBMUJFWSA-N 1 0 296.387 1.620 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC001261489814 946139850 /nfs/dbraw/zinc/13/98/50/946139850.db2.gz GKJJBPKAAMRELK-SECBINFHSA-N 1 0 295.339 1.640 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C)C1 ZINC001254531650 947508084 /nfs/dbraw/zinc/50/80/84/947508084.db2.gz GFSLOXWMKMGFKR-AAEUAGOBSA-N 1 0 263.341 1.820 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(C)COC1 ZINC001254537021 947515811 /nfs/dbraw/zinc/51/58/11/947515811.db2.gz VPYXNALAUHEXAB-SNVBAGLBSA-N 1 0 250.298 1.904 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COC[C@@H]1F ZINC001254548420 947518638 /nfs/dbraw/zinc/51/86/38/947518638.db2.gz IWQSUJVDZIVZHC-ADEWGFFLSA-N 1 0 268.288 1.852 20 5 CDBDRO C[C@@H](CN(C)C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573004 947532817 /nfs/dbraw/zinc/53/28/17/947532817.db2.gz VFMKPIHXRLOTND-GWCFXTLKSA-N 1 0 263.341 1.602 20 5 CDBDRO COC(C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)OC ZINC001254574859 947533561 /nfs/dbraw/zinc/53/35/61/947533561.db2.gz LPEBKJGIACEULV-LLVKDONJSA-N 1 0 266.297 1.271 20 5 CDBDRO O=C1CC(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254574093 947533746 /nfs/dbraw/zinc/53/37/46/947533746.db2.gz FWUCBDUMXXUSLB-GFCCVEGCSA-N 1 0 260.293 1.631 20 5 CDBDRO CO[C@@H](C)C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254578472 947534874 /nfs/dbraw/zinc/53/48/74/947534874.db2.gz LVOCZJXBBINZDO-CABZTGNLSA-N 1 0 250.298 1.687 20 5 CDBDRO C[C@@]1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H](O)C1 ZINC001254576805 947535352 /nfs/dbraw/zinc/53/53/52/947535352.db2.gz ZRRKHXXMCMXTDE-MRVWCRGKSA-N 1 0 262.309 1.565 20 5 CDBDRO C[C@@H]1C[C@H](O)C[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599280 947548946 /nfs/dbraw/zinc/54/89/46/947548946.db2.gz NCJDCVLJGNEGQG-FZQKWOKYSA-N 1 0 262.309 1.517 20 5 CDBDRO COC(=O)CC1C[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601211 947549456 /nfs/dbraw/zinc/54/94/56/947549456.db2.gz VYVKPYYQUBVVNN-CQSZACIVSA-N 1 0 290.319 1.557 20 5 CDBDRO CN1CC[C@@H]([N@H+](C)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601242 947550485 /nfs/dbraw/zinc/55/04/85/947550485.db2.gz WNYYDXZJZLUHIL-CABCVRRESA-N 1 0 275.352 1.698 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC001246526475 948230249 /nfs/dbraw/zinc/23/02/49/948230249.db2.gz XYIBNRTYWMSLHQ-GFCCVEGCSA-N 1 0 263.341 1.821 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246864137 948489660 /nfs/dbraw/zinc/48/96/60/948489660.db2.gz SZSLMPXLOQXPDJ-KYOSRNDESA-N 1 0 275.352 1.949 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@]23C[C@H]2CC[NH2+]3)n1 ZINC001247952872 948887486 /nfs/dbraw/zinc/88/74/86/948887486.db2.gz BYHKZYMAVOJAMT-INWYIAFRSA-N 1 0 291.242 1.387 20 5 CDBDRO COC1CC[NH+](CCNc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC001325181568 953762228 /nfs/dbraw/zinc/76/22/28/953762228.db2.gz MZJQVBKJVCQJER-UHFFFAOYSA-N 1 0 295.343 1.216 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329281636 955796933 /nfs/dbraw/zinc/79/69/33/955796933.db2.gz HHMITKPVEGTUOW-ZIAGYGMSSA-N 1 0 289.335 1.825 20 5 CDBDRO CC(C)C[NH2+]Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC001329432600 955913617 /nfs/dbraw/zinc/91/36/17/955913617.db2.gz GSHRYUQNODWRQM-UHFFFAOYSA-N 1 0 280.288 1.124 20 5 CDBDRO CCCC[N@H+](C)C[C@H](C)Nc1nn(C)cc1[N+](=O)[O-] ZINC001307135596 956368665 /nfs/dbraw/zinc/36/86/65/956368665.db2.gz ZMVHVFFBMGFHIY-JTQLQIEISA-N 1 0 269.349 1.861 20 5 CDBDRO C[C@@]([NH3+])(C(=O)NC[C@H]1C=CCC1)c1cccc([N+](=O)[O-])c1 ZINC001332015774 957401346 /nfs/dbraw/zinc/40/13/46/957401346.db2.gz XZACHRXBEYMTNU-NHYWBVRUSA-N 1 0 289.335 1.851 20 5 CDBDRO CC(C)(C)OC(=O)NC1CC2(C1)CC([NH2+]CC[N+](=O)[O-])C2 ZINC001338444552 961801805 /nfs/dbraw/zinc/80/18/05/961801805.db2.gz AMPHYMQGEHHPHZ-UHFFFAOYSA-N 1 0 299.371 1.689 20 5 CDBDRO C[C@@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1ccc([N+](=O)[O-])cc1 ZINC001340990957 963223968 /nfs/dbraw/zinc/22/39/68/963223968.db2.gz MPCABPQLJHLXCD-MFKMUULPSA-N 1 0 293.323 1.151 20 5 CDBDRO [NH3+][C@@H](CC(F)F)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001345781145 964814700 /nfs/dbraw/zinc/81/47/00/964814700.db2.gz OAZCNWYJQAPSIK-JTQLQIEISA-N 1 0 285.250 1.420 20 5 CDBDRO O=[N+]([O-])CCNC1CC[NH+](CC2CCCC2)CC1 ZINC001353247918 967821527 /nfs/dbraw/zinc/82/15/27/967821527.db2.gz QTXHHGFSMDEEGZ-UHFFFAOYSA-N 1 0 255.362 1.507 20 5 CDBDRO COC[C@]1(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC001356536084 969420869 /nfs/dbraw/zinc/42/08/69/969420869.db2.gz BDRNJIAVIBGAOA-AWEZNQCLSA-N 1 0 293.323 1.468 20 5 CDBDRO C[N@@H+]1CC[C@@]2(CCN(c3cc(N)c([N+](=O)[O-])cn3)C2)C1 ZINC001515768688 969916224 /nfs/dbraw/zinc/91/62/24/969916224.db2.gz OJSBZOPUCJWMTD-CYBMUJFWSA-N 1 0 277.328 1.104 20 5 CDBDRO Cc1c(C(=O)O[C@H](C)C[N+](=O)[O-])ccc2c[nH+]cn21 ZINC001518341153 970018132 /nfs/dbraw/zinc/01/81/32/970018132.db2.gz KNULSGSYKDLPCO-MRVPVSSYSA-N 1 0 263.253 1.465 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCON ZINC001574978776 1171073609 /nfs/dbraw/zinc/07/36/09/1171073609.db2.gz BHKUFOAFZITPJB-DHZHZOJOSA-N 1 0 265.313 1.868 20 5 CDBDRO CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC001577631132 1171707126 /nfs/dbraw/zinc/70/71/26/1171707126.db2.gz DBDHWXGXMGJMQF-SNVBAGLBSA-N 1 0 257.334 1.032 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000294951559 199266915 /nfs/dbraw/zinc/26/69/15/199266915.db2.gz OCFUKYBJNJFMBI-UHFFFAOYSA-N 1 0 299.302 1.424 20 5 CDBDRO C[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000300325153 342466715 /nfs/dbraw/zinc/46/67/15/342466715.db2.gz KDYMUNHXCSHPPK-WZRBSPASSA-N 1 0 282.344 1.178 20 5 CDBDRO COc1cc(NCC[N@@H+]2CC[C@@H](O)C2)c(F)cc1[N+](=O)[O-] ZINC000599175389 343976052 /nfs/dbraw/zinc/97/60/52/343976052.db2.gz ALHJJGJEPBNVQX-SECBINFHSA-N 1 0 299.302 1.221 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])s3)C[C@@H]2C1 ZINC000601185200 342489261 /nfs/dbraw/zinc/48/92/61/342489261.db2.gz QZGAXWYGCCJDOM-BDAKNGLRSA-N 1 0 268.342 1.439 20 5 CDBDRO O=C1CCN(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000273032438 192026665 /nfs/dbraw/zinc/02/66/65/192026665.db2.gz DUSSFCFLDOELDS-UHFFFAOYSA-N 1 0 277.324 1.349 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2COC[C@@H]2O)cc1[N+](=O)[O-] ZINC000601290805 342549520 /nfs/dbraw/zinc/54/95/20/342549520.db2.gz DAIBJHXKOMYXKR-XWIASGKRSA-N 1 0 266.297 1.314 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC([NH2+]CCO)CC1 ZINC000601328108 342554323 /nfs/dbraw/zinc/55/43/23/342554323.db2.gz HDHGIFPIQCAFHO-LBPRGKRZSA-N 1 0 293.367 1.702 20 5 CDBDRO O=[N+]([O-])c1ccc(CCN[C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000601328596 342554465 /nfs/dbraw/zinc/55/44/65/342554465.db2.gz UCIIRAZSBVJYGN-HIFRSBDPSA-N 1 0 275.352 1.869 20 5 CDBDRO [NH3+][C@H]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000322850149 342567886 /nfs/dbraw/zinc/56/78/86/342567886.db2.gz OXWBNWSCSVGJSL-HAQNSBGRSA-N 1 0 277.324 1.523 20 5 CDBDRO Cc1sc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000269235868 190479774 /nfs/dbraw/zinc/47/97/74/190479774.db2.gz WUJZHBCGLPCPEG-VXNVDRBHSA-N 1 0 283.353 1.774 20 5 CDBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000294961924 199271606 /nfs/dbraw/zinc/27/16/06/199271606.db2.gz WTULFTJSMPZYEI-LBPRGKRZSA-N 1 0 277.324 1.857 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000197292054 342598614 /nfs/dbraw/zinc/59/86/14/342598614.db2.gz RNDMAVYBDBZFKY-UHFFFAOYSA-N 1 0 295.339 1.675 20 5 CDBDRO C[NH+](C)[C@@H](CNc1cccnc1[N+](=O)[O-])C1CC1 ZINC000609288246 342100443 /nfs/dbraw/zinc/10/04/43/342100443.db2.gz GIDAXVNFBWBUAD-NSHDSACASA-N 1 0 250.302 1.742 20 5 CDBDRO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)CC1CC1 ZINC000533494767 282125590 /nfs/dbraw/zinc/12/55/90/282125590.db2.gz IKORATLTFQQMBN-UHFFFAOYSA-N 1 0 252.318 1.912 20 5 CDBDRO C[C@H]([NH3+])CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000310439949 342114737 /nfs/dbraw/zinc/11/47/37/342114737.db2.gz VYBYIFTWLLNVHD-YFKPBYRVSA-N 1 0 253.287 1.359 20 5 CDBDRO O=[N+]([O-])c1cc(CNC[C@H]2CCCC[NH2+]2)cs1 ZINC000591275599 342623937 /nfs/dbraw/zinc/62/39/37/342623937.db2.gz IGOHQCLKBIFMSE-SNVBAGLBSA-N 1 0 255.343 1.888 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000591361164 342628389 /nfs/dbraw/zinc/62/83/89/342628389.db2.gz IKNSGLGRCYJJFR-VIFPVBQESA-N 1 0 280.328 1.476 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000591344099 342628672 /nfs/dbraw/zinc/62/86/72/342628672.db2.gz DVTARAUWWVOXDP-RKDXNWHRSA-N 1 0 266.301 1.302 20 5 CDBDRO CNC(=O)c1ccc(N2CC[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000212661101 290628532 /nfs/dbraw/zinc/62/85/32/290628532.db2.gz YNZFWLYZTRUPMB-ONGXEEELSA-N 1 0 292.339 1.128 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)CC[NH3+] ZINC000310729393 342134485 /nfs/dbraw/zinc/13/44/85/342134485.db2.gz DDARMBWWHKCSIG-SECBINFHSA-N 1 0 251.286 1.370 20 5 CDBDRO CC1(C)C[NH2+][C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000591668206 342641119 /nfs/dbraw/zinc/64/11/19/342641119.db2.gz OKHJKVXVPPRABD-LBPRGKRZSA-N 1 0 275.308 1.482 20 5 CDBDRO C[C@@H]1C[N@@H+](CCCNc2c([N+](=O)[O-])ncn2C)C[C@H](C)O1 ZINC000023619365 342138828 /nfs/dbraw/zinc/13/88/28/342138828.db2.gz VGSUQYRZSALPAD-PHIMTYICSA-N 1 0 297.359 1.240 20 5 CDBDRO CC(C)[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[NH2+]1 ZINC000592242562 342680848 /nfs/dbraw/zinc/68/08/48/342680848.db2.gz VAVZAHXUJKHOPI-LLVKDONJSA-N 1 0 292.339 1.247 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000592275918 342682904 /nfs/dbraw/zinc/68/29/04/342682904.db2.gz XFTYIPQPIIYAEG-LDYMZIIASA-N 1 0 297.742 1.862 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[N@H+](C)C1CC1 ZINC000057721689 342151974 /nfs/dbraw/zinc/15/19/74/342151974.db2.gz WZYNNOZNGIYYHQ-QMMMGPOBSA-N 1 0 283.353 1.869 20 5 CDBDRO C[C@@H](Cn1c(=O)onc1-c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000592349613 342686253 /nfs/dbraw/zinc/68/62/53/342686253.db2.gz PQUIIHRMVPLCNW-VIFPVBQESA-N 1 0 292.295 1.362 20 5 CDBDRO C[C@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000592489210 342696046 /nfs/dbraw/zinc/69/60/46/342696046.db2.gz JUNQMUNEAYOGIQ-HWNAMQAFSA-N 1 0 275.308 1.237 20 5 CDBDRO CC1([NH3+])CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000592543864 342708623 /nfs/dbraw/zinc/70/86/23/342708623.db2.gz RQZJSOLLHLKXLP-UHFFFAOYSA-N 1 0 278.312 1.130 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000592543511 342708706 /nfs/dbraw/zinc/70/87/06/342708706.db2.gz FCYNEESVVMRSGD-SECBINFHSA-N 1 0 278.312 1.049 20 5 CDBDRO C[C@@H](CCO)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593107955 342768912 /nfs/dbraw/zinc/76/89/12/342768912.db2.gz RQSVTOXGEULDER-NSHDSACASA-N 1 0 295.339 1.626 20 5 CDBDRO O=C(NCCC1CC[NH2+]CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000593918870 342851554 /nfs/dbraw/zinc/85/15/54/342851554.db2.gz LFQIGWNLFUSDPS-UHFFFAOYSA-N 1 0 295.314 1.853 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]CC1 ZINC000593902210 342853626 /nfs/dbraw/zinc/85/36/26/342853626.db2.gz PMJKXAVRDVBRJJ-LBPRGKRZSA-N 1 0 277.324 1.601 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000593901232 342853679 /nfs/dbraw/zinc/85/36/79/342853679.db2.gz CKYPZKJIVGMPGS-LBPRGKRZSA-N 1 0 277.324 1.601 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)C(F)F ZINC000594496709 342914015 /nfs/dbraw/zinc/91/40/15/342914015.db2.gz RXOVIHMSSQNKSI-ONGXEEELSA-N 1 0 272.251 1.798 20 5 CDBDRO C[NH2+]C1(CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CCC1 ZINC000600823669 342251340 /nfs/dbraw/zinc/25/13/40/342251340.db2.gz IAWIOCOMMWGCQP-UHFFFAOYSA-N 1 0 293.323 1.475 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000092953393 342270409 /nfs/dbraw/zinc/27/04/09/342270409.db2.gz VCYFTRVWTKFBAW-OPQQBVKSSA-N 1 0 277.324 1.770 20 5 CDBDRO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000158549855 342290208 /nfs/dbraw/zinc/29/02/08/342290208.db2.gz SHZBSKLZWANCRD-DTWKUNHWSA-N 1 0 251.290 1.279 20 5 CDBDRO O=C(C[C@@H]1CSCC[NH2+]1)NCc1cccc([N+](=O)[O-])c1 ZINC000091291081 349725005 /nfs/dbraw/zinc/72/50/05/349725005.db2.gz UESLDSDBELTXLR-LLVKDONJSA-N 1 0 295.364 1.306 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000595029913 342997148 /nfs/dbraw/zinc/99/71/48/342997148.db2.gz AUAJDKLLYNHFGL-VHSXEESVSA-N 1 0 293.323 1.485 20 5 CDBDRO CC(C)[C@@H](CO)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595432512 343058914 /nfs/dbraw/zinc/05/89/14/343058914.db2.gz WHYSOTDHODQNRF-LLVKDONJSA-N 1 0 256.277 1.840 20 5 CDBDRO CO[C@H]1COC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000290123418 362105898 /nfs/dbraw/zinc/10/58/98/362105898.db2.gz KXHNVDVGRZYLIK-JQWIXIFHSA-N 1 0 270.260 1.237 20 5 CDBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000600966655 342354844 /nfs/dbraw/zinc/35/48/44/342354844.db2.gz RYJPFPVHINBXTB-GFCCVEGCSA-N 1 0 280.328 1.003 20 5 CDBDRO C[C@]1(NC(=O)CCNc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000595992914 343213341 /nfs/dbraw/zinc/21/33/41/343213341.db2.gz UENCXJBNKUNZQG-AWEZNQCLSA-N 1 0 292.339 1.265 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000596030194 343216810 /nfs/dbraw/zinc/21/68/10/343216810.db2.gz NUBSVWSRXOYHLV-NXEZZACHSA-N 1 0 253.277 1.779 20 5 CDBDRO C[NH+]1CCC(CNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596104929 343228197 /nfs/dbraw/zinc/22/81/97/343228197.db2.gz FQUBEFINGLWAHZ-UHFFFAOYSA-N 1 0 266.301 1.449 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(c2ccc(N)c([N+](=O)[O-])n2)C[C@H]1C ZINC000596176931 343261275 /nfs/dbraw/zinc/26/12/75/343261275.db2.gz LBFUPMXVDNGUFR-ZJUUUORDSA-N 1 0 279.344 1.491 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596210434 343267503 /nfs/dbraw/zinc/26/75/03/343267503.db2.gz YBYJFVMXLVCTEJ-JTQLQIEISA-N 1 0 279.344 1.493 20 5 CDBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCC1 ZINC000596224269 343271610 /nfs/dbraw/zinc/27/16/10/343271610.db2.gz YMEAYCKQUOASHW-UHFFFAOYSA-N 1 0 292.339 1.590 20 5 CDBDRO C[C@H](CCNc1ccc(C(N)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000596425223 343311858 /nfs/dbraw/zinc/31/18/58/343311858.db2.gz QWHDNMFJIXJJSZ-SECBINFHSA-N 1 0 280.328 1.446 20 5 CDBDRO C[NH2+]C[C@H](C)N[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000596654660 343372384 /nfs/dbraw/zinc/37/23/84/343372384.db2.gz LHSUXDJNTNNSMF-SDDRHHMPSA-N 1 0 281.360 1.473 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(C[NH+](C)C3)C2)c1 ZINC000597571327 343574600 /nfs/dbraw/zinc/57/46/00/343574600.db2.gz GEAJNTQBBOUKOS-UHFFFAOYSA-N 1 0 289.335 1.681 20 5 CDBDRO C[NH2+]C1(CNc2ncc(C(=O)OC)cc2[N+](=O)[O-])CCC1 ZINC000598632265 343849576 /nfs/dbraw/zinc/84/95/76/343849576.db2.gz CMSXJURWULTVFX-UHFFFAOYSA-N 1 0 294.311 1.330 20 5 CDBDRO [NH3+][C@]12CCC[C@H]1CN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000598681950 343864228 /nfs/dbraw/zinc/86/42/28/343864228.db2.gz KIKGDMXQOOBFKI-JSGCOSHPSA-N 1 0 261.325 1.908 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598913201 343918960 /nfs/dbraw/zinc/91/89/60/343918960.db2.gz FCELONCAWCLKTK-LLVKDONJSA-N 1 0 296.302 1.996 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000599080962 343957292 /nfs/dbraw/zinc/95/72/92/343957292.db2.gz MBKJQXYPZBLTCX-ZWKOPEQDSA-N 1 0 266.297 1.395 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601567671 344193071 /nfs/dbraw/zinc/19/30/71/344193071.db2.gz NKCAOAKICNFIQG-WPRPVWTQSA-N 1 0 292.295 1.181 20 5 CDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602489415 344450211 /nfs/dbraw/zinc/45/02/11/344450211.db2.gz JVKLMFYQUOCKKT-JTQLQIEISA-N 1 0 295.314 1.935 20 5 CDBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000602492186 344450635 /nfs/dbraw/zinc/45/06/35/344450635.db2.gz URPSGGQSYUWLCA-MWLCHTKSSA-N 1 0 293.298 1.558 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCOC[C@@H]2CCCO2)cc1 ZINC000602546700 344462211 /nfs/dbraw/zinc/46/22/11/344462211.db2.gz KLHCSOPNRKXLHV-HNNXBMFYSA-N 1 0 294.351 1.923 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCOC3)CC2)cn1 ZINC000602572618 344486658 /nfs/dbraw/zinc/48/66/58/344486658.db2.gz RSUZIYCSPDDTBC-LBPRGKRZSA-N 1 0 292.339 1.337 20 5 CDBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602605487 344490591 /nfs/dbraw/zinc/49/05/91/344490591.db2.gz ROONDMLUUZHKNA-IUCAKERBSA-N 1 0 281.699 1.435 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000602595417 344502229 /nfs/dbraw/zinc/50/22/29/344502229.db2.gz IJCHULPEQHHMGM-JGVFFNPUSA-N 1 0 267.260 1.296 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000602782730 344597797 /nfs/dbraw/zinc/59/77/97/344597797.db2.gz WHKOLDUVHCGNSC-VHSXEESVSA-N 1 0 252.318 1.830 20 5 CDBDRO CO[C@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602774398 344577511 /nfs/dbraw/zinc/57/75/11/344577511.db2.gz YRQGUNOXNLDYDR-NSHDSACASA-N 1 0 268.317 1.211 20 5 CDBDRO COCC(C)(C)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000292456991 362473997 /nfs/dbraw/zinc/47/39/97/362473997.db2.gz YLWVJZSHFVOYRM-UHFFFAOYSA-N 1 0 283.328 1.113 20 5 CDBDRO C[C@@H]1CC[C@H](C[NH3+])N(CCn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000603435295 344808840 /nfs/dbraw/zinc/80/88/40/344808840.db2.gz XKEZBDAXEIRVIN-IJLUTSLNSA-N 1 0 281.360 1.239 20 5 CDBDRO CCN(CC[NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000302452007 344868702 /nfs/dbraw/zinc/86/87/02/344868702.db2.gz OJHQWECWAPMLSL-UHFFFAOYSA-N 1 0 252.274 1.407 20 5 CDBDRO Nc1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)nc1[N+](=O)[O-] ZINC000314141948 344910187 /nfs/dbraw/zinc/91/01/87/344910187.db2.gz GLVNBIVKBZIRPW-NSHDSACASA-N 1 0 291.355 1.637 20 5 CDBDRO C[C@@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CO1 ZINC000402350647 344947610 /nfs/dbraw/zinc/94/76/10/344947610.db2.gz ZKUUIBAINNYQCA-PWSUYJOCSA-N 1 0 250.298 1.904 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000293163693 362533380 /nfs/dbraw/zinc/53/33/80/362533380.db2.gz OURBWEIDXGYDJX-CYBMUJFWSA-N 1 0 280.324 1.950 20 5 CDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])nc2)C1 ZINC000617454914 345544858 /nfs/dbraw/zinc/54/48/58/345544858.db2.gz NFBOEUOKSRIADV-YPMHNXCESA-N 1 0 276.340 1.910 20 5 CDBDRO O=C(C[NH2+]CC1CC1)NCc1cccc([N+](=O)[O-])c1 ZINC000052943203 345584472 /nfs/dbraw/zinc/58/44/72/345584472.db2.gz HFOMGHWNAHWEDR-UHFFFAOYSA-N 1 0 263.297 1.211 20 5 CDBDRO C[C@H](O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000223471880 345880479 /nfs/dbraw/zinc/88/04/79/345880479.db2.gz LOWVMODXKMIJHA-NSHDSACASA-N 1 0 279.340 1.534 20 5 CDBDRO COc1ccc(C(=O)N2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000088138979 346014085 /nfs/dbraw/zinc/01/40/85/346014085.db2.gz AAMFMXYJGFTTDW-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO COc1ccc(CN2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000088146756 346014102 /nfs/dbraw/zinc/01/41/02/346014102.db2.gz DGSABIZMJATYJW-UHFFFAOYSA-N 1 0 279.340 1.787 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C(C)(C)CO ZINC000609894886 346037300 /nfs/dbraw/zinc/03/73/00/346037300.db2.gz JMYWYKBXJZXHTG-UHFFFAOYSA-N 1 0 295.339 1.544 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C[N@@H+]1C1CC1 ZINC000610653926 346336484 /nfs/dbraw/zinc/33/64/84/346336484.db2.gz CABVMWLVEXPWCG-DTWKUNHWSA-N 1 0 278.312 1.278 20 5 CDBDRO CC(C)C[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000037887242 346369820 /nfs/dbraw/zinc/36/98/20/346369820.db2.gz WVOVPHXVJXJWKH-JQWIXIFHSA-N 1 0 270.333 1.176 20 5 CDBDRO CC(C)C[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000037887244 346369481 /nfs/dbraw/zinc/36/94/81/346369481.db2.gz WVOVPHXVJXJWKH-CMPLNLGQSA-N 1 0 270.333 1.176 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000584714425 346411814 /nfs/dbraw/zinc/41/18/14/346411814.db2.gz WVHHZCZBBDPQRO-UHFFFAOYSA-N 1 0 280.328 1.521 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCCC[NH2+]C1CC1 ZINC000228392801 346540888 /nfs/dbraw/zinc/54/08/88/346540888.db2.gz DIXZTXASPXRUFT-UHFFFAOYSA-N 1 0 277.324 1.396 20 5 CDBDRO CC[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000268827838 365833503 /nfs/dbraw/zinc/83/35/03/365833503.db2.gz LSIAVEBYXHRECL-YPMHNXCESA-N 1 0 277.324 1.866 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC3(CCOC3)CC2)n1 ZINC000611177150 346632027 /nfs/dbraw/zinc/63/20/27/346632027.db2.gz AFGDSSZOSNRAAJ-UHFFFAOYSA-N 1 0 280.328 1.294 20 5 CDBDRO CCc1nn(C)c(N2CCC([NH2+]C(C)C)CC2)c1[N+](=O)[O-] ZINC000611280949 346734981 /nfs/dbraw/zinc/73/49/81/346734981.db2.gz UQDJJUQDCVIQRO-UHFFFAOYSA-N 1 0 295.387 1.858 20 5 CDBDRO Cc1nn(C)c(NC[C@]2(C)CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000129341492 362793578 /nfs/dbraw/zinc/79/35/78/362793578.db2.gz PINMBROKDMIRMN-GFCCVEGCSA-N 1 0 267.333 1.438 20 5 CDBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000169982010 362807396 /nfs/dbraw/zinc/80/73/96/362807396.db2.gz HARHDCHSWHMIFN-SNVBAGLBSA-N 1 0 278.312 1.137 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000068474726 347565550 /nfs/dbraw/zinc/56/55/50/347565550.db2.gz MRBKDSJJBVOONS-JTQLQIEISA-N 1 0 265.313 1.665 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000054460276 347822844 /nfs/dbraw/zinc/82/28/44/347822844.db2.gz FGGACMIYPYQNLO-VIFPVBQESA-N 1 0 266.301 1.137 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H](C)C[NH2+]1 ZINC000086468073 179298955 /nfs/dbraw/zinc/29/89/55/179298955.db2.gz NCFJHICIVGXZDX-ZOUVEMKTSA-N 1 0 289.335 1.817 20 5 CDBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccsc1 ZINC000061362682 349993189 /nfs/dbraw/zinc/99/31/89/349993189.db2.gz KLRULWJESAYEPX-JOYOIKCWSA-N 1 0 296.352 1.565 20 5 CDBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000014528274 348520921 /nfs/dbraw/zinc/52/09/21/348520921.db2.gz IWKRWUAJZIGZEF-UHFFFAOYSA-N 1 0 289.335 1.951 20 5 CDBDRO C[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000033093195 348697016 /nfs/dbraw/zinc/69/70/16/348697016.db2.gz LBIDDLNFYOZGQE-SNVBAGLBSA-N 1 0 297.380 1.753 20 5 CDBDRO Cc1n[nH]c(C(=O)NCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000064354006 348939567 /nfs/dbraw/zinc/93/95/67/348939567.db2.gz ZKUXZZCPKCPWHS-UHFFFAOYSA-N 1 0 297.359 1.475 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000108338844 348910912 /nfs/dbraw/zinc/91/09/12/348910912.db2.gz XMVFUAFZCQNHCW-VIFPVBQESA-N 1 0 267.285 1.259 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)C1CC1 ZINC000063583347 348926776 /nfs/dbraw/zinc/92/67/76/348926776.db2.gz CYNMWLXPHCTFME-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C[NH+](C)C ZINC000293711074 362935725 /nfs/dbraw/zinc/93/57/25/362935725.db2.gz JDEGCJOCBAGRRP-MRVPVSSYSA-N 1 0 298.318 1.244 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000068471107 349068331 /nfs/dbraw/zinc/06/83/31/349068331.db2.gz OERJQKVTTOBGLN-NSHDSACASA-N 1 0 295.339 1.430 20 5 CDBDRO CC(C)(O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664989 349128203 /nfs/dbraw/zinc/12/82/03/349128203.db2.gz YGJZMUXSDCEKPT-SNVBAGLBSA-N 1 0 280.328 1.247 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](C[NH+](C)C)C1 ZINC000271364062 191098383 /nfs/dbraw/zinc/09/83/83/191098383.db2.gz VDISNSPNTFKMFX-NSHDSACASA-N 1 0 264.329 1.686 20 5 CDBDRO CNc1ccc(C(=O)NC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000308678344 350485627 /nfs/dbraw/zinc/48/56/27/350485627.db2.gz RRTYSAGMKJWJQU-UHFFFAOYSA-N 1 0 294.355 1.707 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CCCNC(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000111828117 350500230 /nfs/dbraw/zinc/50/02/30/350500230.db2.gz DMGCGCIGEYCJHI-CMPLNLGQSA-N 1 0 277.324 1.914 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NCC[N@@H+](C)C1CC1 ZINC000062010264 362967691 /nfs/dbraw/zinc/96/76/91/362967691.db2.gz VUAWNBKZXUMOQH-UHFFFAOYSA-N 1 0 250.302 1.804 20 5 CDBDRO CNC(=O)c1ccc(NCCn2ccnc2)c([N+](=O)[O-])c1 ZINC000108876760 186234566 /nfs/dbraw/zinc/23/45/66/186234566.db2.gz TYAJSSNQRUNINO-UHFFFAOYSA-N 1 0 289.295 1.263 20 5 CDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000110796052 186324951 /nfs/dbraw/zinc/32/49/51/186324951.db2.gz IUNWYYXYLQONDE-SECBINFHSA-N 1 0 297.742 1.978 20 5 CDBDRO CCNC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000036780284 363011105 /nfs/dbraw/zinc/01/11/05/363011105.db2.gz UVAOIWYXIIYROB-SNVBAGLBSA-N 1 0 265.313 1.690 20 5 CDBDRO C[NH+](C)CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000119791905 186852110 /nfs/dbraw/zinc/85/21/10/186852110.db2.gz DWRXDOVQUFVHIN-UHFFFAOYSA-N 1 0 288.307 1.434 20 5 CDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000122203408 187021044 /nfs/dbraw/zinc/02/10/44/187021044.db2.gz LVWMGVNBRAEVHU-GFCCVEGCSA-N 1 0 268.317 1.037 20 5 CDBDRO CC(C)([NH3+])CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000122267118 187023436 /nfs/dbraw/zinc/02/34/36/187023436.db2.gz DYUDTBHBMOAMEK-UHFFFAOYSA-N 1 0 271.704 1.715 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)C[NH3+] ZINC000122990317 187064283 /nfs/dbraw/zinc/06/42/83/187064283.db2.gz JWSXLELETHXEKP-UHFFFAOYSA-N 1 0 265.313 1.538 20 5 CDBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](C)CO ZINC000292345969 198253014 /nfs/dbraw/zinc/25/30/14/198253014.db2.gz XFZWFPRBLXEWOL-YPMHNXCESA-N 1 0 298.339 1.037 20 5 CDBDRO CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H](C)CO ZINC000292371449 198263080 /nfs/dbraw/zinc/26/30/80/198263080.db2.gz YPDZOWJQLZAHQD-VXGBXAGGSA-N 1 0 298.339 1.037 20 5 CDBDRO C[C@H]1C[C@@H](O)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000292479193 198303849 /nfs/dbraw/zinc/30/38/49/198303849.db2.gz RZEMPZOHXUQNHL-AAEUAGOBSA-N 1 0 280.324 1.819 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)c1csc([N+](=O)[O-])c1 ZINC000295178210 199388913 /nfs/dbraw/zinc/38/89/13/199388913.db2.gz HDAMWCMFWBGPNX-ZETCQYMHSA-N 1 0 257.315 1.514 20 5 CDBDRO Cc1c(NC(=O)[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000037029849 363316055 /nfs/dbraw/zinc/31/60/55/363316055.db2.gz WQGXHRBXZJQPOB-SNVBAGLBSA-N 1 0 263.297 1.841 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365354235 363347791 /nfs/dbraw/zinc/34/77/91/363347791.db2.gz HFUBVUFOSCYQFJ-RNCFNFMXSA-N 1 0 293.298 1.558 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365354237 363348517 /nfs/dbraw/zinc/34/85/17/363348517.db2.gz HFUBVUFOSCYQFJ-ZANVPECISA-N 1 0 293.298 1.558 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](CO)[C@H]2CCCOC2)c1 ZINC000411988206 363396162 /nfs/dbraw/zinc/39/61/62/363396162.db2.gz GQNAZLBJJHRUQI-GXTWGEPZSA-N 1 0 280.324 1.472 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173449380 188855430 /nfs/dbraw/zinc/85/54/30/188855430.db2.gz SVRKNOCGZUQJKQ-LBPRGKRZSA-N 1 0 293.367 1.984 20 5 CDBDRO C[NH2+][C@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000578247082 356301142 /nfs/dbraw/zinc/30/11/42/356301142.db2.gz LMERVBKIYDBEPN-SSDOTTSWSA-N 1 0 271.704 1.472 20 5 CDBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ncc([N+](=O)[O-])cn1 ZINC000273553426 192200515 /nfs/dbraw/zinc/20/05/15/192200515.db2.gz AQXGEBYPRMPIJC-LLVKDONJSA-N 1 0 279.344 1.695 20 5 CDBDRO NC(=O)Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000608982454 356320916 /nfs/dbraw/zinc/32/09/16/356320916.db2.gz HTTYXKXVMIJHGU-UHFFFAOYSA-N 1 0 299.330 1.912 20 5 CDBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000273591648 192219966 /nfs/dbraw/zinc/21/99/66/192219966.db2.gz HHTLSPWOHYSATH-MNOVXSKESA-N 1 0 279.344 1.917 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000379495636 357164653 /nfs/dbraw/zinc/16/46/53/357164653.db2.gz PVSFWIBCHKAOKZ-WDEREUQCSA-N 1 0 292.339 1.216 20 5 CDBDRO CCCc1n[nH]c(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c1[N+](=O)[O-] ZINC000261900850 357339651 /nfs/dbraw/zinc/33/96/51/357339651.db2.gz WPMQAIPRZJOIJU-DTWKUNHWSA-N 1 0 295.343 1.080 20 5 CDBDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282376504 357340269 /nfs/dbraw/zinc/34/02/69/357340269.db2.gz CMUVCVKHDFOYED-QPUJVOFHSA-N 1 0 281.287 1.348 20 5 CDBDRO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC000365819089 357496145 /nfs/dbraw/zinc/49/61/45/357496145.db2.gz IJDHVBVWPSRBFR-AWEZNQCLSA-N 1 0 262.309 1.942 20 5 CDBDRO CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CCC[N@H+](C)C1 ZINC000610187378 357489746 /nfs/dbraw/zinc/48/97/46/357489746.db2.gz AZKFWUQYHSZTRI-SNVBAGLBSA-N 1 0 280.328 1.100 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000186730200 357679343 /nfs/dbraw/zinc/67/93/43/357679343.db2.gz ZIZNFNYATSGQAB-XCBNKYQSSA-N 1 0 296.302 1.044 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](CC2CC2)CC1 ZINC000360960334 357758026 /nfs/dbraw/zinc/75/80/26/357758026.db2.gz KNLJZLPJQJPKKB-UHFFFAOYSA-N 1 0 293.371 1.652 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCC[C@@H]1CC[NH2+]C1 ZINC000135226859 357798456 /nfs/dbraw/zinc/79/84/56/357798456.db2.gz HGBDRSJGPSSZLM-NSHDSACASA-N 1 0 277.324 1.253 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000135236617 357809914 /nfs/dbraw/zinc/80/99/14/357809914.db2.gz AJUVXJUAOCNLSO-GXFFZTMASA-N 1 0 277.324 1.713 20 5 CDBDRO C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000190342886 358068154 /nfs/dbraw/zinc/06/81/54/358068154.db2.gz QIYFIGWYJIMCSQ-SMDDNHRTSA-N 1 0 280.324 1.676 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000294715051 199148469 /nfs/dbraw/zinc/14/84/69/199148469.db2.gz BSYRMUFTYPGYEZ-ANYFNZRUSA-N 1 0 277.324 1.852 20 5 CDBDRO Nc1c(C(=O)NCCC[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000294816819 199196216 /nfs/dbraw/zinc/19/62/16/199196216.db2.gz JZJXOVIYQBPPDJ-SNVBAGLBSA-N 1 0 292.339 1.439 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[NH+](C)C ZINC000093900837 358641033 /nfs/dbraw/zinc/64/10/33/358641033.db2.gz BSXTXRSITJBGPO-UHFFFAOYSA-N 1 0 279.340 1.811 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NCC[NH+]2CCCC2)n1 ZINC000162621025 358842952 /nfs/dbraw/zinc/84/29/52/358842952.db2.gz UDJODZNYHMCWNO-UHFFFAOYSA-N 1 0 250.302 1.806 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]C[C@@H]1F ZINC001579734346 1172250982 /nfs/dbraw/zinc/25/09/82/1172250982.db2.gz PKSZMJLSBRPYAE-RYUDHWBXSA-N 1 0 281.287 1.333 20 5 CDBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])o1)C1CCCC1 ZINC000104571565 358960279 /nfs/dbraw/zinc/96/02/79/358960279.db2.gz DHBBENHDGHDGDT-UHFFFAOYSA-N 1 0 281.312 1.792 20 5 CDBDRO Cc1ccc(C(=O)N[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000087383827 359032809 /nfs/dbraw/zinc/03/28/09/359032809.db2.gz LGWHVMALKTVHPK-NSHDSACASA-N 1 0 263.297 1.370 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000087383605 359033268 /nfs/dbraw/zinc/03/32/68/359033268.db2.gz JAYBYZMWFXSORL-MRVPVSSYSA-N 1 0 255.299 1.123 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000566247831 359066914 /nfs/dbraw/zinc/06/69/14/359066914.db2.gz WBZIDCIYLRGKCY-GXFFZTMASA-N 1 0 291.351 1.944 20 5 CDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000342467669 359063671 /nfs/dbraw/zinc/06/36/71/359063671.db2.gz RLJYCAQVQNHQHD-WPRPVWTQSA-N 1 0 295.364 1.869 20 5 CDBDRO C[C@H](C(=O)NC1CC1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338377512 359125986 /nfs/dbraw/zinc/12/59/86/359125986.db2.gz NVEFHKHWABLQSK-LLVKDONJSA-N 1 0 291.351 1.736 20 5 CDBDRO COCCC[NH+]1CCC(Nc2c([N+](=O)[O-])ncn2C)CC1 ZINC000339141281 359298422 /nfs/dbraw/zinc/29/84/22/359298422.db2.gz RDKGSESUPJHDFA-UHFFFAOYSA-N 1 0 297.359 1.241 20 5 CDBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000070149109 283442559 /nfs/dbraw/zinc/44/25/59/283442559.db2.gz DMXWHEZYKGTNTQ-VIFPVBQESA-N 1 0 267.285 1.531 20 5 CDBDRO CCOC(=O)CC[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000050067296 359568377 /nfs/dbraw/zinc/56/83/77/359568377.db2.gz VOQMABRJXBREOP-UHFFFAOYSA-N 1 0 296.323 1.988 20 5 CDBDRO Cc1nc(NCC[N@@H+](C)C2CCCC2)ncc1[N+](=O)[O-] ZINC000297065876 200075929 /nfs/dbraw/zinc/07/59/29/200075929.db2.gz JEUWHRPCIYTLLR-UHFFFAOYSA-N 1 0 279.344 1.980 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176401883 188993950 /nfs/dbraw/zinc/99/39/50/188993950.db2.gz DOSAMFRXCLNPJD-JTQLQIEISA-N 1 0 294.355 1.637 20 5 CDBDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000362505859 359841924 /nfs/dbraw/zinc/84/19/24/359841924.db2.gz PFZKSYNYYKBNGN-GWCFXTLKSA-N 1 0 289.335 1.682 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000134271085 359860751 /nfs/dbraw/zinc/86/07/51/359860751.db2.gz BJIMLIJLSGRBAS-SECBINFHSA-N 1 0 271.704 1.649 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCN2CCSCC2)c1 ZINC000226246227 359951861 /nfs/dbraw/zinc/95/18/61/359951861.db2.gz SAHJAVZYMLLYLT-UHFFFAOYSA-N 1 0 281.381 1.733 20 5 CDBDRO CS[C@H]1CN(c2nc(C)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270375186 360462483 /nfs/dbraw/zinc/46/24/83/360462483.db2.gz NVVQYJXICAPWPL-RYUDHWBXSA-N 1 0 296.396 1.780 20 5 CDBDRO Cc1cc(N(C)C2CC[NH+](CCO)CC2)ncc1[N+](=O)[O-] ZINC000348165539 360533694 /nfs/dbraw/zinc/53/36/94/360533694.db2.gz DLKZCLDOAODTDV-UHFFFAOYSA-N 1 0 294.355 1.191 20 5 CDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[NH2+]1 ZINC000177942200 189080445 /nfs/dbraw/zinc/08/04/45/189080445.db2.gz CBOHODOVCMGEOY-LBPRGKRZSA-N 1 0 292.339 1.265 20 5 CDBDRO Nc1c(C(=O)NC[C@H]2CCCC[NH2+]2)cc(F)cc1[N+](=O)[O-] ZINC000238062583 360717681 /nfs/dbraw/zinc/71/76/81/360717681.db2.gz MGZDGPXCAFUGJQ-SECBINFHSA-N 1 0 296.302 1.188 20 5 CDBDRO Cc1nc(N2C[C@@H](C)[C@H](CC[NH3+])C2)ncc1[N+](=O)[O-] ZINC001579864217 1172284335 /nfs/dbraw/zinc/28/43/35/1172284335.db2.gz LMXAKXFPSNBVIM-PSASIEDQSA-N 1 0 265.317 1.114 20 5 CDBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000177528817 238309868 /nfs/dbraw/zinc/30/98/68/238309868.db2.gz NSFCLAQWBJOQLK-ZJUUUORDSA-N 1 0 281.312 1.790 20 5 CDBDRO C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000070075159 361236069 /nfs/dbraw/zinc/23/60/69/361236069.db2.gz DJSZPGJZMMIYOQ-IUCAKERBSA-N 1 0 255.343 1.839 20 5 CDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cn1 ZINC000301509255 201037033 /nfs/dbraw/zinc/03/70/33/201037033.db2.gz AVPVWFBOUPCEIW-PWSUYJOCSA-N 1 0 264.329 1.766 20 5 CDBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000183693497 189365917 /nfs/dbraw/zinc/36/59/17/189365917.db2.gz ANIUWMHIOIQIBV-GXFFZTMASA-N 1 0 293.323 1.690 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000269711985 239000714 /nfs/dbraw/zinc/00/07/14/239000714.db2.gz PXZRGBIXEUMUCZ-CHWSQXEVSA-N 1 0 266.297 1.085 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)nc1 ZINC000302174340 201381748 /nfs/dbraw/zinc/38/17/48/201381748.db2.gz WHXUXYAVQMKSBM-SNVBAGLBSA-N 1 0 277.328 1.814 20 5 CDBDRO Cc1cc(Cl)c(C(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000296589445 239321653 /nfs/dbraw/zinc/32/16/53/239321653.db2.gz XMKXVAVCMOVALC-UHFFFAOYSA-N 1 0 285.731 1.848 20 5 CDBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000345813502 363965446 /nfs/dbraw/zinc/96/54/46/363965446.db2.gz GDUGWFVPNGJAHU-STQMWFEESA-N 1 0 277.324 1.599 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000088059242 364048262 /nfs/dbraw/zinc/04/82/62/364048262.db2.gz BHPSNGDCEUUEAN-JTQLQIEISA-N 1 0 263.297 1.337 20 5 CDBDRO Cn1cc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000148977292 364570141 /nfs/dbraw/zinc/57/01/41/364570141.db2.gz IWHWFZHYEKXGQY-UHFFFAOYSA-N 1 0 274.324 1.703 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)O ZINC000111385524 364955860 /nfs/dbraw/zinc/95/58/60/364955860.db2.gz JDHVHUDYJUXREL-UHFFFAOYSA-N 1 0 268.313 1.854 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000133674300 365257757 /nfs/dbraw/zinc/25/77/57/365257757.db2.gz DCPHEACZHQIGPY-JTQLQIEISA-N 1 0 263.297 1.243 20 5 CDBDRO CS(=O)(=O)c1ccc(NC[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000053255202 365402278 /nfs/dbraw/zinc/40/22/78/365402278.db2.gz ZLBPCLHJGVVGLC-VIFPVBQESA-N 1 0 299.352 1.162 20 5 CDBDRO Cc1ccc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000414562937 241260518 /nfs/dbraw/zinc/26/05/18/241260518.db2.gz UEWPTQQVNWRRON-ZIAGYGMSSA-N 1 0 294.351 1.780 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000414651738 241301933 /nfs/dbraw/zinc/30/19/33/241301933.db2.gz GCJMAGUQQZRPPA-VIFPVBQESA-N 1 0 294.311 1.477 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([NH3+])C1 ZINC000414666489 241312212 /nfs/dbraw/zinc/31/22/12/241312212.db2.gz WPLLMPIQUBCSJW-JTQLQIEISA-N 1 0 278.312 1.858 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(OC[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000386501090 367014040 /nfs/dbraw/zinc/01/40/40/367014040.db2.gz AQBIELVYHOXZRB-NSHDSACASA-N 1 0 296.323 1.437 20 5 CDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000090516969 367470557 /nfs/dbraw/zinc/47/05/57/367470557.db2.gz DJBSRSKGUGHEDG-UHFFFAOYSA-N 1 0 251.286 1.241 20 5 CDBDRO Cc1n[nH]c(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000272588504 367778783 /nfs/dbraw/zinc/77/87/83/367778783.db2.gz RLSSCDJPKLWYTE-VIFPVBQESA-N 1 0 275.312 1.915 20 5 CDBDRO Cc1ccc(C[NH2+][C@H]2CCCN(C)C2=O)cc1[N+](=O)[O-] ZINC000330671065 203100166 /nfs/dbraw/zinc/10/01/66/203100166.db2.gz MLFKNJZARIVWOR-LBPRGKRZSA-N 1 0 277.324 1.614 20 5 CDBDRO C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000420339063 244108524 /nfs/dbraw/zinc/10/85/24/244108524.db2.gz QDILCWSAZDPDNB-LLVKDONJSA-N 1 0 292.339 1.217 20 5 CDBDRO [NH3+]C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000420394204 244195600 /nfs/dbraw/zinc/19/56/00/244195600.db2.gz RJQUZRNCPWCAON-CQSZACIVSA-N 1 0 295.339 1.023 20 5 CDBDRO Cc1cnccc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000295644278 370544177 /nfs/dbraw/zinc/54/41/77/370544177.db2.gz IIGXODWQKXWKES-UHFFFAOYSA-N 1 0 261.285 1.285 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@H]1NCCc1ccccc1[N+](=O)[O-] ZINC000422796567 245267080 /nfs/dbraw/zinc/26/70/80/245267080.db2.gz YNBWHKMBYPZLCF-WCQYABFASA-N 1 0 263.341 1.725 20 5 CDBDRO CC[C@H]([NH2+][C@@H](CO)COC)c1cccc([N+](=O)[O-])c1 ZINC000234028574 189820692 /nfs/dbraw/zinc/82/06/92/189820692.db2.gz GTRQTUVPCDAPDC-AAEUAGOBSA-N 1 0 268.313 1.643 20 5 CDBDRO Cc1sc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000332702969 204909425 /nfs/dbraw/zinc/90/94/25/204909425.db2.gz XLLJRZDHJHDORA-POYBYMJQSA-N 1 0 269.326 1.384 20 5 CDBDRO Cc1ccoc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000151266352 372777925 /nfs/dbraw/zinc/77/79/25/372777925.db2.gz ISVYMBGHHRKJKJ-UHFFFAOYSA-N 1 0 250.258 1.483 20 5 CDBDRO C[C@@H]([NH2+]CCC(=O)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293807431 372908606 /nfs/dbraw/zinc/90/86/06/372908606.db2.gz RKSWHGFNUWGSJY-SECBINFHSA-N 1 0 280.328 1.306 20 5 CDBDRO Cc1ccc(C(=O)N(C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000237633562 373109366 /nfs/dbraw/zinc/10/93/66/373109366.db2.gz FJHFUSMFLDAGKN-SECBINFHSA-N 1 0 251.286 1.322 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000161493699 373764703 /nfs/dbraw/zinc/76/47/03/373764703.db2.gz BMKGNYPKUIIYAM-BDAKNGLRSA-N 1 0 295.343 1.270 20 5 CDBDRO CC[NH+]1CCN(CCNc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000298696916 373796884 /nfs/dbraw/zinc/79/68/84/373796884.db2.gz CRKKTEJZPFMZQV-UHFFFAOYSA-N 1 0 292.383 1.953 20 5 CDBDRO C[C@@H](C[S@@](C)=O)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000168885605 373798150 /nfs/dbraw/zinc/79/81/50/373798150.db2.gz LOOXFJUXMVSFPD-YPMLDQLKSA-N 1 0 270.354 1.494 20 5 CDBDRO CCc1nn(C)c(N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000091562366 374042014 /nfs/dbraw/zinc/04/20/14/374042014.db2.gz YQXBCGQDLXUWOE-NXEZZACHSA-N 1 0 281.360 1.454 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000114400234 374311494 /nfs/dbraw/zinc/31/14/94/374311494.db2.gz DAIQPMKWAXAYCZ-SNVBAGLBSA-N 1 0 295.314 1.758 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(C)C[C@H]1C ZINC000421767835 374329631 /nfs/dbraw/zinc/32/96/31/374329631.db2.gz MFYDCUBFPGFJBZ-GFCCVEGCSA-N 1 0 291.351 1.988 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[NH+](C)C ZINC000421742233 374329699 /nfs/dbraw/zinc/32/96/99/374329699.db2.gz FWZYOJIGUPFKDS-LLVKDONJSA-N 1 0 279.340 1.892 20 5 CDBDRO COC(=O)Cc1ccc(NC[C@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000296191641 374485425 /nfs/dbraw/zinc/48/54/25/374485425.db2.gz BNEWNDIBROQVFK-JTQLQIEISA-N 1 0 295.339 1.672 20 5 CDBDRO Nc1ccc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000376184914 374542672 /nfs/dbraw/zinc/54/26/72/374542672.db2.gz CSMXNPHGDDHVBG-NEPJUHHUSA-N 1 0 292.339 1.452 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000429144491 374568258 /nfs/dbraw/zinc/56/82/58/374568258.db2.gz SWPSYDNFOSEVHW-UFBFGSQYSA-N 1 0 278.312 1.108 20 5 CDBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000447815515 374714260 /nfs/dbraw/zinc/71/42/60/374714260.db2.gz DYZANKBSDIIZIT-SNVBAGLBSA-N 1 0 294.359 1.330 20 5 CDBDRO Cc1cccc(C(=O)N(C)CC(C)(C)C[NH3+])c1[N+](=O)[O-] ZINC000093873526 374789726 /nfs/dbraw/zinc/78/97/26/374789726.db2.gz CPGPOSMBHHBCLY-UHFFFAOYSA-N 1 0 279.340 1.960 20 5 CDBDRO C[C@@H](Cn1cc(Br)c([N+](=O)[O-])n1)[NH+](C)C ZINC000331085068 374888478 /nfs/dbraw/zinc/88/84/78/374888478.db2.gz OHYKPQFYASQJOE-LURJTMIESA-N 1 0 277.122 1.504 20 5 CDBDRO CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000282210474 375072009 /nfs/dbraw/zinc/07/20/09/375072009.db2.gz DHLFEOFATBCHDF-NSHDSACASA-N 1 0 293.323 1.314 20 5 CDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCNC1=O ZINC000282388053 375081543 /nfs/dbraw/zinc/08/15/43/375081543.db2.gz GNXCWIZRELRGCB-CQSZACIVSA-N 1 0 291.351 1.738 20 5 CDBDRO Cc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000471800040 375055538 /nfs/dbraw/zinc/05/55/38/375055538.db2.gz SUIMUROKEQAKFW-CMPLNLGQSA-N 1 0 250.298 1.858 20 5 CDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000096268641 375069190 /nfs/dbraw/zinc/06/91/90/375069190.db2.gz NKCPEVLMQRPOHR-OAHLLOKOSA-N 1 0 289.335 1.763 20 5 CDBDRO COc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000299489226 375176201 /nfs/dbraw/zinc/17/62/01/375176201.db2.gz HVRUQFLSLVATDA-NSHDSACASA-N 1 0 293.323 1.314 20 5 CDBDRO C[C@H]1OCC[C@]1(O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000227147544 375451611 /nfs/dbraw/zinc/45/16/11/375451611.db2.gz IVAGDLIFYGTODH-RISCZKNCSA-N 1 0 280.324 1.267 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)O ZINC000344824231 375532064 /nfs/dbraw/zinc/53/20/64/375532064.db2.gz YFYFQSFWSZDDLW-SDKXAQGSSA-N 1 0 250.298 1.969 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCOCCO ZINC000344864444 375621700 /nfs/dbraw/zinc/62/17/00/375621700.db2.gz PXVGAEBDFOWIDJ-XFXZXTDPSA-N 1 0 280.324 1.597 20 5 CDBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1C ZINC000294022477 375627944 /nfs/dbraw/zinc/62/79/44/375627944.db2.gz QRTUFSDZXXMLNR-TXEJJXNPSA-N 1 0 291.351 1.688 20 5 CDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000357048367 375674657 /nfs/dbraw/zinc/67/46/57/375674657.db2.gz ZSMKCSHJXXDZKD-STQMWFEESA-N 1 0 293.367 1.998 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428053963 247236287 /nfs/dbraw/zinc/23/62/87/247236287.db2.gz MWJQLTDQAXIXIU-GWCFXTLKSA-N 1 0 279.315 1.918 20 5 CDBDRO [NH3+]CCCCc1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000228374008 375754151 /nfs/dbraw/zinc/75/41/51/375754151.db2.gz MZWKJEMESZHVBS-UHFFFAOYSA-N 1 0 289.339 1.710 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000347353776 375812154 /nfs/dbraw/zinc/81/21/54/375812154.db2.gz HJRYCEMNVBFPRB-HJTPGIPUSA-N 1 0 289.335 1.805 20 5 CDBDRO Nc1c(C(=O)NCC2([NH3+])CCCCC2)cccc1[N+](=O)[O-] ZINC000428491100 247314387 /nfs/dbraw/zinc/31/43/87/247314387.db2.gz SIBXLVVXMHIHEQ-UHFFFAOYSA-N 1 0 292.339 1.568 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCC[N@H+]1CC=CCC1 ZINC000355362245 375793099 /nfs/dbraw/zinc/79/30/99/375793099.db2.gz DVEHHXPJIJWMMC-UHFFFAOYSA-N 1 0 289.335 1.515 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261709619 190042696 /nfs/dbraw/zinc/04/26/96/190042696.db2.gz PBQOVZLRXBBUGC-QWHCGFSZSA-N 1 0 289.335 1.205 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000261868676 190045430 /nfs/dbraw/zinc/04/54/30/190045430.db2.gz ZKPOBBHYROENDF-ZETCQYMHSA-N 1 0 271.704 1.586 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261906224 190045666 /nfs/dbraw/zinc/04/56/66/190045666.db2.gz WYBTZKQLVOZYPD-UHFFFAOYSA-N 1 0 289.335 1.811 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(NCC[NH+]3CCCC3)c21 ZINC000347443879 376149707 /nfs/dbraw/zinc/14/97/07/376149707.db2.gz ZLUCZRZDNPDZAD-UHFFFAOYSA-N 1 0 287.323 1.468 20 5 CDBDRO Nc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000262629877 190059021 /nfs/dbraw/zinc/05/90/21/190059021.db2.gz NHYQQKSDGMVIAZ-ZYHUDNBSSA-N 1 0 292.339 1.424 20 5 CDBDRO Cc1c(C(=O)N[C@H]2CC[NH2+]C2(C)C)cccc1[N+](=O)[O-] ZINC000307914819 376309227 /nfs/dbraw/zinc/30/92/27/376309227.db2.gz PKOXOFHUWQJKAW-LBPRGKRZSA-N 1 0 277.324 1.774 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000307916161 376313109 /nfs/dbraw/zinc/31/31/09/376313109.db2.gz VKEZTYBASDWUGO-GFCCVEGCSA-N 1 0 277.324 1.394 20 5 CDBDRO Nc1c(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000262612051 190058336 /nfs/dbraw/zinc/05/83/36/190058336.db2.gz FKKFJVYCMJNDQI-KOLCDFICSA-N 1 0 292.339 1.424 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000262811878 190063335 /nfs/dbraw/zinc/06/33/35/190063335.db2.gz OUTLSVOFLLOYLZ-CABZTGNLSA-N 1 0 293.323 1.331 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000262827391 190063497 /nfs/dbraw/zinc/06/34/97/190063497.db2.gz QBFZHHJFRCSOJU-HTQZYQBOSA-N 1 0 269.326 1.384 20 5 CDBDRO Cc1sc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000262721527 190061528 /nfs/dbraw/zinc/06/15/28/190061528.db2.gz FVBDCNFIMMVOIO-VXNVDRBHSA-N 1 0 283.353 1.693 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@H]1C ZINC000262757514 190062400 /nfs/dbraw/zinc/06/24/00/190062400.db2.gz HWALFZYFLVCMFS-SFYZADRCSA-N 1 0 269.326 1.479 20 5 CDBDRO CCc1n[nH]c(C(=O)NC2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000264616307 190123282 /nfs/dbraw/zinc/12/32/82/190123282.db2.gz QZJSFXXXBDLRRH-UHFFFAOYSA-N 1 0 295.343 1.094 20 5 CDBDRO C[NH+](C)CC(C)(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000457207093 252478830 /nfs/dbraw/zinc/47/88/30/252478830.db2.gz AKNUCOLONOYPPS-UHFFFAOYSA-N 1 0 279.340 1.594 20 5 CDBDRO Cc1c(CC(=O)N2CC[NH2+]C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000127862348 377134071 /nfs/dbraw/zinc/13/40/71/377134071.db2.gz BHZDYASEQXPJEK-UHFFFAOYSA-N 1 0 291.351 1.656 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)ccc1[N+](=O)[O-] ZINC000189306173 377228864 /nfs/dbraw/zinc/22/88/64/377228864.db2.gz CYRXZHWYTMSBDV-JQWIXIFHSA-N 1 0 277.324 1.774 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000264986697 190150311 /nfs/dbraw/zinc/15/03/11/190150311.db2.gz SHASSKOEONYLFI-SECBINFHSA-N 1 0 295.368 1.692 20 5 CDBDRO Cc1ccnc(NCCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000265269397 190170750 /nfs/dbraw/zinc/17/07/50/190170750.db2.gz UQIZNOKOESFEJD-UHFFFAOYSA-N 1 0 293.371 1.348 20 5 CDBDRO CN(CC[NH3+])C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000165861749 378583583 /nfs/dbraw/zinc/58/35/83/378583583.db2.gz MJNMOCWARBOLPA-UHFFFAOYSA-N 1 0 257.677 1.279 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351746830 378619506 /nfs/dbraw/zinc/61/95/06/378619506.db2.gz HJBAAWGGUWOEEC-PSASIEDQSA-N 1 0 278.312 1.108 20 5 CDBDRO O=CN1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000278712704 194116381 /nfs/dbraw/zinc/11/63/81/194116381.db2.gz LSYLUKWZEAARKW-UHFFFAOYSA-N 1 0 297.742 1.959 20 5 CDBDRO CCCC[N@H+](CC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174651290 379547762 /nfs/dbraw/zinc/54/77/62/379547762.db2.gz NASXKYHRTRWLJP-GFCCVEGCSA-N 1 0 270.333 1.274 20 5 CDBDRO CCCC[N@H+](CCOC)CCn1cc([N+](=O)[O-])cn1 ZINC000174855700 379593391 /nfs/dbraw/zinc/59/33/91/379593391.db2.gz RYLLCCZOXFZMLS-UHFFFAOYSA-N 1 0 270.333 1.540 20 5 CDBDRO CCOC[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174862659 379596463 /nfs/dbraw/zinc/59/64/63/379596463.db2.gz DOYMCMBDLLRTES-GFCCVEGCSA-N 1 0 282.344 1.540 20 5 CDBDRO CCCNC(=O)C[N@H+](CCC)CCn1ccc([N+](=O)[O-])n1 ZINC000267110324 190304585 /nfs/dbraw/zinc/30/45/85/190304585.db2.gz XKLKMXVRVXWRNB-UHFFFAOYSA-N 1 0 297.359 1.030 20 5 CDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC(C)(C)O ZINC000267006351 190296596 /nfs/dbraw/zinc/29/65/96/190296596.db2.gz FWSZJLIFFHXCBE-UHFFFAOYSA-N 1 0 256.277 1.937 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000267213451 190312140 /nfs/dbraw/zinc/31/21/40/190312140.db2.gz CAHMPQAVYXYYRB-VHSXEESVSA-N 1 0 267.333 1.613 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000268130989 190379642 /nfs/dbraw/zinc/37/96/42/190379642.db2.gz FHYCMDHUEAITKV-SNVBAGLBSA-N 1 0 295.314 1.758 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000268206099 190386159 /nfs/dbraw/zinc/38/61/59/190386159.db2.gz JSBBNXVKPXSPGV-QMTHXVAHSA-N 1 0 289.335 1.807 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000491643643 253094668 /nfs/dbraw/zinc/09/46/68/253094668.db2.gz OZQKXSFEBAIOIG-DGMVEKRQSA-N 1 0 289.335 1.676 20 5 CDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCC[NH+]1CCC1 ZINC000492223527 253177824 /nfs/dbraw/zinc/17/78/24/253177824.db2.gz UPWRZEIYXXJOLU-SREVYHEPSA-N 1 0 275.308 1.430 20 5 CDBDRO C[C@@H](NC(=O)/C=C\C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000492385319 253208077 /nfs/dbraw/zinc/20/80/77/253208077.db2.gz IMXNDBRNDDHWCB-DHHDDZJSSA-N 1 0 277.324 1.890 20 5 CDBDRO CN(C)CC[N@H+](C)CCCN(C)c1ncccc1[N+](=O)[O-] ZINC000289072131 197227480 /nfs/dbraw/zinc/22/74/80/197227480.db2.gz NMIXEYUQQBWCPH-UHFFFAOYSA-N 1 0 295.387 1.310 20 5 CDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCC[N@@H+]1C ZINC000288458095 197083822 /nfs/dbraw/zinc/08/38/22/197083822.db2.gz UCGXWXWMOAEAFM-AWEZNQCLSA-N 1 0 291.351 1.690 20 5 CDBDRO COc1cccc(C(=O)N[C@@H](C)CC[NH3+])c1[N+](=O)[O-] ZINC000521434350 262336436 /nfs/dbraw/zinc/33/64/36/262336436.db2.gz RKKSUVYITJMMHI-QMMMGPOBSA-N 1 0 267.285 1.071 20 5 CDBDRO O=C1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)N1 ZINC000433171397 390497434 /nfs/dbraw/zinc/49/74/34/390497434.db2.gz AZXHUAPOZWJVMJ-LLVKDONJSA-N 1 0 263.297 1.353 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])cn2)C1 ZINC000450947115 390580604 /nfs/dbraw/zinc/58/06/04/390580604.db2.gz BCKGQNKJXUPJHJ-JTQLQIEISA-N 1 0 265.317 1.304 20 5 CDBDRO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C[NH3+])C1 ZINC000235659562 390905961 /nfs/dbraw/zinc/90/59/61/390905961.db2.gz FNGWVKCXULTZER-DTWKUNHWSA-N 1 0 283.353 1.856 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])o1 ZINC000298523135 390956361 /nfs/dbraw/zinc/95/63/61/390956361.db2.gz ZMEXEXMKQZDPNA-ZJUUUORDSA-N 1 0 279.296 1.544 20 5 CDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCC1 ZINC000337374101 391132566 /nfs/dbraw/zinc/13/25/66/391132566.db2.gz AIDXSLNPWIZMAO-UHFFFAOYSA-N 1 0 292.339 1.142 20 5 CDBDRO C[C@H](NC(=O)N1CCC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000417984211 533584145 /nfs/dbraw/zinc/58/41/45/533584145.db2.gz ORFQOHUCNCGLRS-NSHDSACASA-N 1 0 292.339 1.661 20 5 CDBDRO Cc1cc(NC(=O)N(C)[C@@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000415421369 391407543 /nfs/dbraw/zinc/40/75/43/391407543.db2.gz UULLRRWOJBJODA-VIFPVBQESA-N 1 0 266.301 1.714 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000415760129 391471473 /nfs/dbraw/zinc/47/14/73/391471473.db2.gz JWXBLQUJCZQTLJ-LLVKDONJSA-N 1 0 292.339 1.983 20 5 CDBDRO CC(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[NH+](C)C ZINC000345569252 391623062 /nfs/dbraw/zinc/62/30/62/391623062.db2.gz NIEJBLDYXPNBJZ-LLVKDONJSA-N 1 0 296.371 1.639 20 5 CDBDRO Cc1ccnc(NC[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000291842849 391639849 /nfs/dbraw/zinc/63/98/49/391639849.db2.gz LXYQBMRNDYVGRA-VIFPVBQESA-N 1 0 252.318 1.908 20 5 CDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[NH3+] ZINC000237356401 391653387 /nfs/dbraw/zinc/65/33/87/391653387.db2.gz FRPOCNCJGIRCKM-SNVBAGLBSA-N 1 0 297.380 1.931 20 5 CDBDRO CO[C@@]1(C)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000348223330 391830540 /nfs/dbraw/zinc/83/05/40/391830540.db2.gz GDQAGLHPYMQQQF-LBPRGKRZSA-N 1 0 268.317 1.292 20 5 CDBDRO CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000487060941 391868173 /nfs/dbraw/zinc/86/81/73/391868173.db2.gz QPHICNCMIDAXMF-GFCCVEGCSA-N 1 0 264.329 1.766 20 5 CDBDRO COc1cc(C(=O)NCCCC[NH3+])c([N+](=O)[O-])cc1OC ZINC000237084407 131003410 /nfs/dbraw/zinc/00/34/10/131003410.db2.gz ATAOLMKAZUYETI-UHFFFAOYSA-N 1 0 297.311 1.081 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[NH3+])c1 ZINC000237280807 131020504 /nfs/dbraw/zinc/02/05/04/131020504.db2.gz GLULNHRCVCPPLZ-UHFFFAOYSA-N 1 0 255.299 1.005 20 5 CDBDRO Cc1cccc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000524720997 392919311 /nfs/dbraw/zinc/91/93/11/392919311.db2.gz WWQUTUMCSZCXJN-LLVKDONJSA-N 1 0 291.351 1.975 20 5 CDBDRO [NH3+]C1(CNc2nccc3cc([N+](=O)[O-])ccc32)CCC1 ZINC000420224686 392907334 /nfs/dbraw/zinc/90/73/34/392907334.db2.gz BHEZILNKEXIWFQ-UHFFFAOYSA-N 1 0 272.308 1.858 20 5 CDBDRO CCOCCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000489023723 392866266 /nfs/dbraw/zinc/86/62/66/392866266.db2.gz IZXOSEMUUQWFLP-UHFFFAOYSA-N 1 0 282.344 1.855 20 5 CDBDRO Cc1nc(N[C@H](CC[NH3+])C(F)F)ncc1[N+](=O)[O-] ZINC000420265819 392917677 /nfs/dbraw/zinc/91/76/77/392917677.db2.gz QDOWIKPVLYVBBC-ZCFIWIBFSA-N 1 0 261.232 1.088 20 5 CDBDRO CN(CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[N@@H+]1C ZINC000421000143 392924379 /nfs/dbraw/zinc/92/43/79/392924379.db2.gz JWEIZJHAISOVGA-CQSZACIVSA-N 1 0 293.367 2.000 20 5 CDBDRO COC[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000525270919 392926095 /nfs/dbraw/zinc/92/60/95/392926095.db2.gz LPKAPMVNBQNVJU-NSHDSACASA-N 1 0 280.328 1.147 20 5 CDBDRO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000268967192 132094190 /nfs/dbraw/zinc/09/41/90/132094190.db2.gz KOBSEBZYTUCVAF-JTQLQIEISA-N 1 0 251.286 1.098 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000423571258 392963777 /nfs/dbraw/zinc/96/37/77/392963777.db2.gz NLWBTWFDEVVRNY-LLVKDONJSA-N 1 0 277.324 1.551 20 5 CDBDRO Cc1c(CC(=O)N[C@H](C)[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000423683926 392966910 /nfs/dbraw/zinc/96/69/10/392966910.db2.gz QSANKRWUHFJPGM-NXEZZACHSA-N 1 0 265.313 1.298 20 5 CDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCC[C@@H]1CC[NH2+]C1 ZINC000215355829 392970552 /nfs/dbraw/zinc/97/05/52/392970552.db2.gz LTBWTQWQSRBDTM-ZFDPJTLLSA-N 1 0 289.335 1.724 20 5 CDBDRO CSC[C@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000217864382 140165265 /nfs/dbraw/zinc/16/52/65/140165265.db2.gz HSESAMKJTPEFCK-GFCCVEGCSA-N 1 0 270.354 1.798 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000430240225 393095379 /nfs/dbraw/zinc/09/53/79/393095379.db2.gz LZOAXEOZFQCMFJ-CMPLNLGQSA-N 1 0 280.324 1.806 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C[N@@H+]1C1CC1 ZINC000531005137 393057834 /nfs/dbraw/zinc/05/78/34/393057834.db2.gz DOKUCUZXAODXPM-ZJUUUORDSA-N 1 0 292.339 1.288 20 5 CDBDRO CC[C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000532494448 393074808 /nfs/dbraw/zinc/07/48/08/393074808.db2.gz CKKYYXOHXJKOCA-CYBMUJFWSA-N 1 0 295.339 1.430 20 5 CDBDRO CNC(=O)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449106171 393129973 /nfs/dbraw/zinc/12/99/73/393129973.db2.gz KQXUFMXGSFFEMQ-SNVBAGLBSA-N 1 0 265.313 1.252 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000278288492 393141094 /nfs/dbraw/zinc/14/10/94/393141094.db2.gz CLEVCZFGNMWFIO-PHIMTYICSA-N 1 0 262.313 1.296 20 5 CDBDRO [NH3+][C@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000261530696 393324048 /nfs/dbraw/zinc/32/40/48/393324048.db2.gz QDMQOCOYJIVCIN-LURJTMIESA-N 1 0 287.117 1.290 20 5 CDBDRO C[C@H](O)C[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000275462807 135107528 /nfs/dbraw/zinc/10/75/28/135107528.db2.gz ZAAPOOYVUNWFPV-RYUDHWBXSA-N 1 0 279.340 1.486 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000132054902 139847253 /nfs/dbraw/zinc/84/72/53/139847253.db2.gz QCRJIIUUFGBLHQ-WDEREUQCSA-N 1 0 277.324 1.713 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132844624 139857702 /nfs/dbraw/zinc/85/77/02/139857702.db2.gz RHRTVBRRXJIXEX-LLVKDONJSA-N 1 0 283.303 1.981 20 5 CDBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCO1 ZINC000165585953 139926486 /nfs/dbraw/zinc/92/64/86/139926486.db2.gz GDJBVXMVZCDRKO-LLVKDONJSA-N 1 0 299.714 1.048 20 5 CDBDRO CNC(=O)c1ccc(NCC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000212640991 140159044 /nfs/dbraw/zinc/15/90/44/140159044.db2.gz VQZVQWAKOBMHFO-SNVBAGLBSA-N 1 0 292.339 1.366 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261586762 140356601 /nfs/dbraw/zinc/35/66/01/140356601.db2.gz JBVUJYHBNJVYGS-TZMCWYRMSA-N 1 0 261.325 1.779 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261622709 140364996 /nfs/dbraw/zinc/36/49/96/140364996.db2.gz GROYUFJSHBMRBI-AWEZNQCLSA-N 1 0 290.323 1.812 20 5 CDBDRO COc1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000261820855 140394282 /nfs/dbraw/zinc/39/42/82/140394282.db2.gz TYIYQJAEOUINOX-QWRGUYRKSA-N 1 0 277.324 1.649 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC000262793850 140431288 /nfs/dbraw/zinc/43/12/88/140431288.db2.gz DKVYDGOYQBHHAT-BDAKNGLRSA-N 1 0 295.343 1.141 20 5 CDBDRO C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094341596 147082381 /nfs/dbraw/zinc/08/23/81/147082381.db2.gz XHOJSXJWOFHAKM-MNOVXSKESA-N 1 0 292.339 1.202 20 5 CDBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174721391 147957673 /nfs/dbraw/zinc/95/76/73/147957673.db2.gz XBZXMWSTQASQBK-KWCYVHTRSA-N 1 0 296.371 1.663 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180892358 148167584 /nfs/dbraw/zinc/16/75/84/148167584.db2.gz KKULBUPXKWHUPH-JTQLQIEISA-N 1 0 292.339 1.391 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000194117332 148646741 /nfs/dbraw/zinc/64/67/41/148646741.db2.gz XXMPYZVNKIRZIC-JHJVBQTASA-N 1 0 292.339 1.339 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@](C)(C[NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000262069097 149008665 /nfs/dbraw/zinc/00/86/65/149008665.db2.gz SGPUKKOYSFNNTO-CQSZACIVSA-N 1 0 292.339 1.296 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)CC1CC1 ZINC000352492244 155225385 /nfs/dbraw/zinc/22/53/85/155225385.db2.gz XCQKKPPZQQLEKI-UHFFFAOYSA-N 1 0 280.324 1.808 20 5 CDBDRO C[C@@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000311932080 149223983 /nfs/dbraw/zinc/22/39/83/149223983.db2.gz IGGCPMVIGPMKSR-CYBMUJFWSA-N 1 0 268.288 1.985 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)CO ZINC000344791919 152645208 /nfs/dbraw/zinc/64/52/08/152645208.db2.gz LXVQBYGMMNNMRF-YAEJEKNGSA-N 1 0 250.298 1.969 20 5 CDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH3+])C1 ZINC000346094124 153050331 /nfs/dbraw/zinc/05/03/31/153050331.db2.gz ZGRYEYGCYNQYII-GHMZBOCLSA-N 1 0 292.339 1.345 20 5 CDBDRO C[C@@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000347251295 153462383 /nfs/dbraw/zinc/46/23/83/153462383.db2.gz ANEBKOFUBPPZME-QMMMGPOBSA-N 1 0 284.291 1.806 20 5 CDBDRO COc1cc(C(=O)N[C@@H](C)CC[NH3+])cc([N+](=O)[O-])c1OC ZINC000349934902 154277324 /nfs/dbraw/zinc/27/73/24/154277324.db2.gz IPMOMUNUYILHGA-QMMMGPOBSA-N 1 0 297.311 1.079 20 5 CDBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000354218934 156331245 /nfs/dbraw/zinc/33/12/45/156331245.db2.gz BYQYPYIFJLMJPO-VHSXEESVSA-N 1 0 277.324 1.924 20 5 CDBDRO C[C@H](CNc1ncc([N+](=O)[O-])cn1)[N@@H+]1CCCC[C@H]1C ZINC000354512425 156493279 /nfs/dbraw/zinc/49/32/79/156493279.db2.gz SPKYNTYSWFXRHN-GHMZBOCLSA-N 1 0 279.344 1.482 20 5 CDBDRO CC(C)[N@@H+]1CCCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355547896 157111502 /nfs/dbraw/zinc/11/15/02/157111502.db2.gz SCEAGBCTAJOVBB-UHFFFAOYSA-N 1 0 281.360 1.244 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1[N+](=O)[O-] ZINC000365279455 292421235 /nfs/dbraw/zinc/42/12/35/292421235.db2.gz YPHGUNNXWADZPJ-DGCLKSJQSA-N 1 0 289.335 1.727 20 5 CDBDRO C[C@@H]1COCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000372217116 160092711 /nfs/dbraw/zinc/09/27/11/160092711.db2.gz OBXCCIYKAIWTKX-LBPRGKRZSA-N 1 0 280.324 1.942 20 5 CDBDRO C[C@H]1COCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000374341980 160275885 /nfs/dbraw/zinc/27/58/85/160275885.db2.gz RIUKTULTZSOMNQ-GFCCVEGCSA-N 1 0 280.324 1.942 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCN1CCOCC1 ZINC000020141978 171028437 /nfs/dbraw/zinc/02/84/37/171028437.db2.gz IUJZOGCGZOTHAD-UHFFFAOYSA-N 1 0 279.340 1.407 20 5 CDBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285763419 196391071 /nfs/dbraw/zinc/39/10/71/196391071.db2.gz ZNWXIIDSJIDNKF-JTQLQIEISA-N 1 0 295.343 1.312 20 5 CDBDRO Cc1nn(C)c(NCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000040444353 174263953 /nfs/dbraw/zinc/26/39/53/174263953.db2.gz BSDVSKOXKOPSLD-UHFFFAOYSA-N 1 0 281.360 1.781 20 5 CDBDRO C[NH2+]CCC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000043604630 175078160 /nfs/dbraw/zinc/07/81/60/175078160.db2.gz SOPLIWFZEOEITH-SECBINFHSA-N 1 0 251.286 1.382 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CC[NH2+]C1 ZINC000071309945 176116820 /nfs/dbraw/zinc/11/68/20/176116820.db2.gz MLNKLEFIONBZCO-VIFPVBQESA-N 1 0 267.260 1.168 20 5 CDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[NH2+]C1 ZINC000071397172 176150668 /nfs/dbraw/zinc/15/06/68/176150668.db2.gz BOMBZVHWPQFNJW-NNNHXZLVSA-N 1 0 275.308 1.476 20 5 CDBDRO CCOC(=O)c1ccnc(NCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000077902377 177309654 /nfs/dbraw/zinc/30/96/54/177309654.db2.gz GWCVVOJZQMFYCQ-UHFFFAOYSA-N 1 0 296.327 1.530 20 5 CDBDRO COc1cc(NC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000111047412 260653319 /nfs/dbraw/zinc/65/33/19/260653319.db2.gz HDRVTOMDJPMLAS-SECBINFHSA-N 1 0 253.302 1.965 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000313694442 261329879 /nfs/dbraw/zinc/32/98/79/261329879.db2.gz FPFPUXJAZAMNMH-SVJDAXRGSA-N 1 0 289.335 1.865 20 5 CDBDRO C[C@@H](CNc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-])[NH+](C)C ZINC001589875149 1173191506 /nfs/dbraw/zinc/19/15/06/1173191506.db2.gz ASNXPPSXBPYWNB-LURJTMIESA-N 1 0 297.344 1.198 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1CCC1 ZINC000514598738 266013356 /nfs/dbraw/zinc/01/33/56/266013356.db2.gz JSDJQDHUEIOTKU-LLVKDONJSA-N 1 0 266.297 1.477 20 5 CDBDRO O=c1c2ccccc2n(CC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000514600045 266013363 /nfs/dbraw/zinc/01/33/63/266013363.db2.gz KFHHTBBRFCFBEN-LLVKDONJSA-N 1 0 287.319 1.909 20 5 CDBDRO CC[C@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[NH+](C)C ZINC000298491965 273739799 /nfs/dbraw/zinc/73/97/99/273739799.db2.gz GCHQQKGPCKHXII-LLVKDONJSA-N 1 0 277.324 1.824 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000078617539 273816419 /nfs/dbraw/zinc/81/64/19/273816419.db2.gz LNOHLFGYFXWVAR-NSHDSACASA-N 1 0 292.339 1.224 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000277194002 273816450 /nfs/dbraw/zinc/81/64/50/273816450.db2.gz OZGXONKKIMKIRL-NSHDSACASA-N 1 0 264.329 1.910 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000127699719 273967935 /nfs/dbraw/zinc/96/79/35/273967935.db2.gz RGJFPROGQKNVNL-GFCCVEGCSA-N 1 0 277.324 1.727 20 5 CDBDRO COC[C@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000301214752 274048199 /nfs/dbraw/zinc/04/81/99/274048199.db2.gz XEZNJJCKUVHUFV-LBPRGKRZSA-N 1 0 279.340 1.752 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000449751236 274231709 /nfs/dbraw/zinc/23/17/09/274231709.db2.gz BKUPDBGAULCFCO-WCFLWFBJSA-N 1 0 291.351 1.769 20 5 CDBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[C@@H]1[NH3+] ZINC000235659113 274599631 /nfs/dbraw/zinc/59/96/31/274599631.db2.gz JDAACUJVXXXENG-XVKPBYJWSA-N 1 0 270.720 1.817 20 5 CDBDRO Cc1cnc(N[C@H]2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000090692694 274827161 /nfs/dbraw/zinc/82/71/61/274827161.db2.gz GMXPJLGZVBFBAC-ZJUUUORDSA-N 1 0 250.302 1.838 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1CC[NH2+]C1)CCC2 ZINC000423220401 275038521 /nfs/dbraw/zinc/03/85/21/275038521.db2.gz XSFHCROCVRIZQD-SMDDNHRTSA-N 1 0 261.325 1.924 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000281988068 276870878 /nfs/dbraw/zinc/87/08/78/276870878.db2.gz SQNIWINCRKGCGY-VIFPVBQESA-N 1 0 270.358 1.972 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020479036 277050387 /nfs/dbraw/zinc/05/03/87/277050387.db2.gz CKKFJSRJDJTZAJ-UHFFFAOYSA-N 1 0 263.297 1.373 20 5 CDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])cn2)C1 ZINC000301734097 277182077 /nfs/dbraw/zinc/18/20/77/277182077.db2.gz UKBHLFGGDMJXAS-AAEUAGOBSA-N 1 0 276.340 1.910 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000088147706 277294846 /nfs/dbraw/zinc/29/48/46/277294846.db2.gz DIBVNIPXSUITEZ-LLVKDONJSA-N 1 0 277.324 1.727 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000269256240 277909279 /nfs/dbraw/zinc/90/92/79/277909279.db2.gz HTXZSLIXOAUOAK-GFCCVEGCSA-N 1 0 294.355 1.374 20 5 CDBDRO C[C@@H](C[NH3+])N(C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000347211499 278247613 /nfs/dbraw/zinc/24/76/13/278247613.db2.gz OVIPSFCPISACJR-QMMMGPOBSA-N 1 0 289.282 1.975 20 5 CDBDRO C[C@@H]([N@H+](C)CCn1cc([N+](=O)[O-])cn1)C1(C)CC1 ZINC000177249636 278303147 /nfs/dbraw/zinc/30/31/47/278303147.db2.gz FSCZQMWAPDRPET-SNVBAGLBSA-N 1 0 252.318 1.912 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000163377873 278313897 /nfs/dbraw/zinc/31/38/97/278313897.db2.gz CCMDIJDIUXPFFM-MWLCHTKSSA-N 1 0 263.297 1.404 20 5 CDBDRO Cc1cc(F)cc(C(=O)NC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000178782155 278695801 /nfs/dbraw/zinc/69/58/01/278695801.db2.gz QXLKRQUCVBVKHB-SNVBAGLBSA-N 1 0 281.287 1.524 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@H](C[NH3+])C1CCCC1 ZINC000236090839 279385548 /nfs/dbraw/zinc/38/55/48/279385548.db2.gz RIFTVQOFUQDKHP-SECBINFHSA-N 1 0 253.306 1.258 20 5 CDBDRO C[C@H](NC(=O)NCC1([NH3+])CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000418240365 279437227 /nfs/dbraw/zinc/43/72/27/279437227.db2.gz ZDOAGOXXRUUAQJ-JTQLQIEISA-N 1 0 292.339 1.836 20 5 CDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000193558455 280001008 /nfs/dbraw/zinc/00/10/08/280001008.db2.gz IZACVMWVAAOJAQ-SECBINFHSA-N 1 0 283.353 1.728 20 5 CDBDRO Cc1cc(C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000262804374 280331543 /nfs/dbraw/zinc/33/15/43/280331543.db2.gz PVQZBVWYVLJBOW-QWRGUYRKSA-N 1 0 277.324 1.726 20 5 CDBDRO C[C@H]1OCC[C@@]1(O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000278648793 280563155 /nfs/dbraw/zinc/56/31/55/280563155.db2.gz MGNFWRGLEGWFIR-YABQJVKDSA-N 1 0 292.335 1.738 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000160520100 281007949 /nfs/dbraw/zinc/00/79/49/281007949.db2.gz CKOZAKSNPKXQGI-TXEJJXNPSA-N 1 0 289.335 1.870 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000420402892 288327944 /nfs/dbraw/zinc/32/79/44/288327944.db2.gz QXRLHPLIHORFTO-VHSXEESVSA-N 1 0 267.304 1.916 20 5 CDBDRO C[NH+]1CCC(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000255213637 289361265 /nfs/dbraw/zinc/36/12/65/289361265.db2.gz DKAHWYVKZRDCQL-WAYWQWQTSA-N 1 0 289.335 1.818 20 5 CDBDRO C[NH+](C)CCCCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000557045749 290325334 /nfs/dbraw/zinc/32/53/34/290325334.db2.gz SQUXAKMWDRYRGZ-UHFFFAOYSA-N 1 0 293.367 1.985 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000168716506 292866485 /nfs/dbraw/zinc/86/64/85/292866485.db2.gz NLVJIHTTZPIKDX-ILBNWAPMSA-N 1 0 289.335 1.804 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000564728792 293402666 /nfs/dbraw/zinc/40/26/66/293402666.db2.gz FNZTYFXYIUTUNF-MNOVXSKESA-N 1 0 294.355 1.639 20 5 CDBDRO CC[C@@H](CCO)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567876923 293896453 /nfs/dbraw/zinc/89/64/53/293896453.db2.gz CDTQAMNTVNSDIS-NWDGAFQWSA-N 1 0 298.339 1.085 20 5 CDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1c([N+](=O)[O-])ncn1C ZINC000568309878 294014650 /nfs/dbraw/zinc/01/46/50/294014650.db2.gz ZEJKOCPRSPOQPP-GHMZBOCLSA-N 1 0 279.344 1.391 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000574520132 295012656 /nfs/dbraw/zinc/01/26/56/295012656.db2.gz DKXBVOSLEZYRQQ-UHFFFAOYSA-N 1 0 292.339 1.149 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000186821137 295253562 /nfs/dbraw/zinc/25/35/62/295253562.db2.gz NTXYRIPQIRQJGF-JOYOIKCWSA-N 1 0 293.323 1.331 20 5 CDBDRO C[C@@H]([NH2+]CC(=O)N(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000180426149 316009496 /nfs/dbraw/zinc/00/94/96/316009496.db2.gz UHRXPCPVJABUNP-SNVBAGLBSA-N 1 0 277.324 1.866 20 5 CDBDRO COC[C@H](O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563419604 316304199 /nfs/dbraw/zinc/30/41/99/316304199.db2.gz XQDUNXVTDBXSOG-BXKDBHETSA-N 1 0 266.297 1.179 20 5 CDBDRO C[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000563562361 316331885 /nfs/dbraw/zinc/33/18/85/316331885.db2.gz VVBHCAQSMCLFQX-MFKMUULPSA-N 1 0 292.339 1.474 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000576347148 317122258 /nfs/dbraw/zinc/12/22/58/317122258.db2.gz KQVVRDDQRILJEU-ZJUUUORDSA-N 1 0 292.339 1.376 20 5 CDBDRO CS(=O)(=O)CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576648633 317181294 /nfs/dbraw/zinc/18/12/94/317181294.db2.gz RCJFUHFLCOPOAS-LBPRGKRZSA-N 1 0 298.364 1.606 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000383014982 323658049 /nfs/dbraw/zinc/65/80/49/323658049.db2.gz HHNUOUMUPLGYFD-GFVADAIESA-N 1 0 263.297 1.414 20 5 CDBDRO CN(c1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC([NH3+])C1 ZINC000385091739 323700093 /nfs/dbraw/zinc/70/00/93/323700093.db2.gz YDHIKQOFNANDQY-UHFFFAOYSA-N 1 0 261.285 1.397 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000389942836 323814513 /nfs/dbraw/zinc/81/45/13/323814513.db2.gz CEVONXDOQDEDEV-GFCCVEGCSA-N 1 0 293.323 1.012 20 5 CDBDRO CNC(=O)[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000578712980 324001230 /nfs/dbraw/zinc/00/12/30/324001230.db2.gz DICMBQGKLYBFBF-ZJUUUORDSA-N 1 0 265.313 1.688 20 5 CDBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000579952515 324324901 /nfs/dbraw/zinc/32/49/01/324324901.db2.gz FNBGEOMDUSDKBG-WDEREUQCSA-N 1 0 295.339 1.672 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)CC[NH3+])c1 ZINC000581602645 324790224 /nfs/dbraw/zinc/79/02/24/324790224.db2.gz ISZCJEGZOJAQJG-UHFFFAOYSA-N 1 0 281.312 1.461 20 5 CDBDRO CC(C)Oc1nc(N2CC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000583388812 325166448 /nfs/dbraw/zinc/16/64/48/325166448.db2.gz CJPPSGNYMUNZJY-VIFPVBQESA-N 1 0 266.301 1.314 20 5 CDBDRO C[NH2+]C[C@](C)(O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000583636118 325213342 /nfs/dbraw/zinc/21/33/42/325213342.db2.gz JOZREXLJZVIWQC-FZMZJTMJSA-N 1 0 281.356 1.524 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000036282235 329506258 /nfs/dbraw/zinc/50/62/58/329506258.db2.gz QYPWQBRQXRCOPU-UHFFFAOYSA-N 1 0 265.313 1.633 20 5 CDBDRO Cc1c([N+](=O)[O-])cc(F)cc1-n1ccc(C[NH3+])cc1=N ZINC001167690419 1159426676 /nfs/dbraw/zinc/42/66/76/1159426676.db2.gz QDNPGZSYUBQWPI-UHFFFAOYSA-N 1 0 276.271 1.771 20 5 CDBDRO CCOc1ccc(C(=O)N[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000159151291 520913304 /nfs/dbraw/zinc/91/33/04/520913304.db2.gz XPOAIZRGQRWQET-NSHDSACASA-N 1 0 293.323 1.461 20 5 CDBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCC(=O)OC ZINC000064569685 521150007 /nfs/dbraw/zinc/15/00/07/521150007.db2.gz IQKKDCOMYIUDLC-UHFFFAOYSA-N 1 0 296.323 1.859 20 5 CDBDRO [NH3+]CC[C@H](NC(=O)c1csc([N+](=O)[O-])c1)C(F)(F)F ZINC000307830255 534651007 /nfs/dbraw/zinc/65/10/07/534651007.db2.gz ZISZBFOYQCZLIC-LURJTMIESA-N 1 0 297.258 1.666 20 5 CDBDRO COC(=O)COc1ccc(C[NH2+]CC(C)C)cc1[N+](=O)[O-] ZINC000062730685 523223118 /nfs/dbraw/zinc/22/31/18/523223118.db2.gz XTESECWGFTUIQR-UHFFFAOYSA-N 1 0 296.323 1.892 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000237525205 524306813 /nfs/dbraw/zinc/30/68/13/524306813.db2.gz RSYWOOHNYBKLJG-SNVBAGLBSA-N 1 0 280.328 1.108 20 5 CDBDRO C[C@@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000163537180 524452822 /nfs/dbraw/zinc/45/28/22/524452822.db2.gz XNNHSMCQEZAQLF-DGCLKSJQSA-N 1 0 291.351 1.581 20 5 CDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000050162887 525334201 /nfs/dbraw/zinc/33/42/01/525334201.db2.gz TWFMRYPGEBPXLZ-ZYHUDNBSSA-N 1 0 277.324 1.713 20 5 CDBDRO Cc1nn(C)c(-c2nc([C@@H]([NH3+])CC(C)C)no2)c1[N+](=O)[O-] ZINC000339389326 527597035 /nfs/dbraw/zinc/59/70/35/527597035.db2.gz FVWIDFGOYSETPU-QMMMGPOBSA-N 1 0 294.315 1.733 20 5 CDBDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000236957743 535654502 /nfs/dbraw/zinc/65/45/02/535654502.db2.gz RXUVXBGLXIZDDD-QMTHXVAHSA-N 1 0 291.351 1.853 20 5 CDBDRO CC[C@@H](NC(=O)[C@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000262530033 535798654 /nfs/dbraw/zinc/79/86/54/535798654.db2.gz LVYNZFBSJDVQJC-BXKDBHETSA-N 1 0 265.313 1.757 20 5 CDBDRO CN(CC[NH3+])CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000420386573 536368803 /nfs/dbraw/zinc/36/88/03/536368803.db2.gz VBAJYFMWGLMJCE-UHFFFAOYSA-N 1 0 290.323 1.683 20 5 CDBDRO COc1cc(C(=O)N[C@@H](C[NH3+])C2CC2)cc([N+](=O)[O-])c1C ZINC000422854686 536500635 /nfs/dbraw/zinc/50/06/35/536500635.db2.gz BFIIVZGJVFDAKA-NSHDSACASA-N 1 0 293.323 1.379 20 5 CDBDRO COc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000261830272 536731528 /nfs/dbraw/zinc/73/15/28/536731528.db2.gz USQMVRYYRRIANC-WCBMZHEXSA-N 1 0 279.296 1.165 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](CCO)C3CC3)nc2c1 ZINC000769797856 575385535 /nfs/dbraw/zinc/38/55/35/575385535.db2.gz UJFYVRBZSOUMCP-LLVKDONJSA-N 1 0 290.323 1.722 20 5 CDBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC(O)C1 ZINC000759872797 576439378 /nfs/dbraw/zinc/43/93/78/576439378.db2.gz FFKFEWPFVZDDQC-WXRRBKDZSA-N 1 0 266.297 1.083 20 5 CDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000742238027 576590673 /nfs/dbraw/zinc/59/06/73/576590673.db2.gz BFDYPZYKUIKBEN-NSHDSACASA-N 1 0 277.324 1.809 20 5 CDBDRO COC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000754386008 576894632 /nfs/dbraw/zinc/89/46/32/576894632.db2.gz UOWDMUBXKATPSG-ZIAGYGMSSA-N 1 0 282.340 1.889 20 5 CDBDRO CC[C@H](C(=O)OCCn1cc([N+](=O)[O-])cn1)[NH+](CC)CC ZINC000748130141 576896634 /nfs/dbraw/zinc/89/66/34/576896634.db2.gz WGTJFWJMPVJGIM-GFCCVEGCSA-N 1 0 298.343 1.455 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCn2ccnc2)c1 ZINC000749647539 576956658 /nfs/dbraw/zinc/95/66/58/576956658.db2.gz NRSQJZXDAWJTKK-CQSZACIVSA-N 1 0 290.323 1.505 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](O)c2ccco2)c1 ZINC000749670297 576957019 /nfs/dbraw/zinc/95/70/19/576957019.db2.gz KOIIMUFHGUCRDH-OLZOCXBDSA-N 1 0 292.291 1.544 20 5 CDBDRO CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589104 614817505 /nfs/dbraw/zinc/81/75/05/614817505.db2.gz GFEBZXSYRPDUDJ-XJFOESAGSA-N 1 0 295.383 1.232 20 5 CDBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000892608965 617532860 /nfs/dbraw/zinc/53/28/60/617532860.db2.gz STAOJQHROOAWAZ-JQWIXIFHSA-N 1 0 298.364 1.508 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H]2CO)c1 ZINC000934024794 617846739 /nfs/dbraw/zinc/84/67/39/617846739.db2.gz AHPKYNFJRYHPLD-LLVKDONJSA-N 1 0 252.270 1.040 20 5 CDBDRO COCCOC[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000893070074 618121064 /nfs/dbraw/zinc/12/10/64/618121064.db2.gz VZLOKCIBOCKPRB-LBPRGKRZSA-N 1 0 282.340 1.778 20 5 CDBDRO COc1c(O)ccc(C[N@H+](C)CCCCCO)c1[N+](=O)[O-] ZINC000894112797 618449995 /nfs/dbraw/zinc/44/99/95/618449995.db2.gz KGHHRQLEECQSNE-UHFFFAOYSA-N 1 0 298.339 1.903 20 5 CDBDRO Cc1nc(N2CCC(O)(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000894954493 619163687 /nfs/dbraw/zinc/16/36/87/619163687.db2.gz DLNZWILKMUQLPQ-UHFFFAOYSA-N 1 0 294.355 1.191 20 5 CDBDRO CCC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000895057027 619242562 /nfs/dbraw/zinc/24/25/62/619242562.db2.gz CSHXMJUWCJFJDN-SECBINFHSA-N 1 0 268.292 1.707 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2c1ncc([N+](=O)[O-])s1 ZINC000895193568 619445301 /nfs/dbraw/zinc/44/53/01/619445301.db2.gz WRCAKNNHBVVELX-DTWKUNHWSA-N 1 0 268.342 1.724 20 5 CDBDRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000895328486 619567578 /nfs/dbraw/zinc/56/75/78/619567578.db2.gz GNBIGCOIPBLBQE-ZZEYUXRUSA-N 1 0 292.335 1.426 20 5 CDBDRO CC[C@@H](CN1CCOCC1)Nc1ccc([N+](=O)[O-])cn1 ZINC000895800616 619850890 /nfs/dbraw/zinc/85/08/90/619850890.db2.gz DDVQSKYSWWFDKB-NSHDSACASA-N 1 0 280.328 1.513 20 5 CDBDRO COc1ccc(CN2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000041029939 621616409 /nfs/dbraw/zinc/61/64/09/621616409.db2.gz AVVGSXSURWPGBV-NSHDSACASA-N 1 0 265.313 1.527 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCN1C ZINC000903317019 625970646 /nfs/dbraw/zinc/97/06/46/625970646.db2.gz SCWPDTCJFJFGOG-MFKMUULPSA-N 1 0 281.331 1.959 20 5 CDBDRO COc1cccc(N2CC[C@H]([NH2+]CC[N+](=O)[O-])C2)c1 ZINC000905099122 626619399 /nfs/dbraw/zinc/61/93/99/626619399.db2.gz YIRJYENDPVMCRW-NSHDSACASA-N 1 0 265.313 1.140 20 5 CDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000905133639 626647866 /nfs/dbraw/zinc/64/78/66/626647866.db2.gz QXSHEIHIBAHEEM-HIFRSBDPSA-N 1 0 293.367 1.142 20 5 CDBDRO C[C@H](C[NH2+]CC[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC000905135989 626649954 /nfs/dbraw/zinc/64/99/54/626649954.db2.gz OXEIORLIGJZSQK-SECBINFHSA-N 1 0 258.705 1.974 20 5 CDBDRO Cc1ccccc1[C@@H]([C@H](C)NCC[N+](=O)[O-])[NH+](C)C ZINC000905231395 626685935 /nfs/dbraw/zinc/68/59/35/626685935.db2.gz SSBDMGWTXXAWFN-GXTWGEPZSA-N 1 0 265.357 1.853 20 5 CDBDRO COc1ccc2c(c1)CC[C@@H]([NH2+]CC[N+](=O)[O-])C2 ZINC000905200943 626688827 /nfs/dbraw/zinc/68/88/27/626688827.db2.gz AGOBIPJCNLYQKS-GFCCVEGCSA-N 1 0 250.298 1.419 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000905215778 626696042 /nfs/dbraw/zinc/69/60/42/626696042.db2.gz OPYWZJDCUBKRGI-QWHCGFSZSA-N 1 0 250.298 1.773 20 5 CDBDRO C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+]CC[N+](=O)[O-] ZINC000905385211 626780296 /nfs/dbraw/zinc/78/02/96/626780296.db2.gz ZOAKXHVEPKHSBW-VIFPVBQESA-N 1 0 261.322 1.108 20 5 CDBDRO CC[C@@H]([NH2+]CC[N+](=O)[O-])[C@H](O)c1c(F)cccc1F ZINC000905364101 626783862 /nfs/dbraw/zinc/78/38/62/626783862.db2.gz HIAKMBKQENBSED-PWSUYJOCSA-N 1 0 274.267 1.643 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H]1CCNc1ncc([N+](=O)[O-])cc1F ZINC000905691440 626919066 /nfs/dbraw/zinc/91/90/66/626919066.db2.gz DMRSXYPOQXTWII-RKDXNWHRSA-N 1 0 268.292 1.786 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(=O)n1CC[C@H]1CCCC[N@H+]1C ZINC000906504345 627308832 /nfs/dbraw/zinc/30/88/32/627308832.db2.gz XOODINPTDVJLIU-GFCCVEGCSA-N 1 0 279.340 1.939 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCOC2)cc1 ZINC000149693981 628366044 /nfs/dbraw/zinc/36/60/44/628366044.db2.gz IRADEVXETHLHTO-ZYHUDNBSSA-N 1 0 252.270 1.007 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000911737537 629457889 /nfs/dbraw/zinc/45/78/89/629457889.db2.gz BWDMZJZBSPJXOQ-QMMMGPOBSA-N 1 0 281.337 1.490 20 5 CDBDRO CC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911750694 629468556 /nfs/dbraw/zinc/46/85/56/629468556.db2.gz PNFUYPAUAQCSPG-QWHCGFSZSA-N 1 0 277.324 1.424 20 5 CDBDRO [NH3+]C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000911833364 629563417 /nfs/dbraw/zinc/56/34/17/629563417.db2.gz LGNOWNZVCWXWMZ-MCIONIFRSA-N 1 0 289.335 1.552 20 5 CDBDRO O=C([C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000912184573 629836011 /nfs/dbraw/zinc/83/60/11/629836011.db2.gz XSIDNUFBPNEYLT-CYZMBNFOSA-N 1 0 287.319 1.624 20 5 CDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000157339903 630594618 /nfs/dbraw/zinc/59/46/18/630594618.db2.gz SCQSEOPWJOXKOI-LLVKDONJSA-N 1 0 294.355 1.493 20 5 CDBDRO Nc1ccc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000825188324 695301127 /nfs/dbraw/zinc/30/11/27/695301127.db2.gz JAWCEPCICYODSF-SCZZXKLOSA-N 1 0 278.312 1.034 20 5 CDBDRO C[C@]1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000819146208 695361996 /nfs/dbraw/zinc/36/19/96/695361996.db2.gz SMIXAXFNFDJQCL-ZIAGYGMSSA-N 1 0 280.324 1.787 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000818018492 695387080 /nfs/dbraw/zinc/38/70/80/695387080.db2.gz XPTKTJKPPNKNDE-HNNXBMFYSA-N 1 0 289.335 1.871 20 5 CDBDRO CN(C(=O)[C@H]1CC[N@H+](CC[N+](=O)[O-])C1)c1ccccc1 ZINC000930304549 695408506 /nfs/dbraw/zinc/40/85/06/695408506.db2.gz KABVRTBYSZLZHS-LBPRGKRZSA-N 1 0 277.324 1.248 20 5 CDBDRO CON1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819372357 695410516 /nfs/dbraw/zinc/41/05/16/695410516.db2.gz AGDBOWWGQUKOEI-AWEZNQCLSA-N 1 0 295.339 1.244 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CCCCC[C@H]1CO ZINC000886268863 695430356 /nfs/dbraw/zinc/43/03/56/695430356.db2.gz DFXNHGASODFVJG-LBPRGKRZSA-N 1 0 265.313 1.727 20 5 CDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+](C2CCCCC2)CC1 ZINC000839705392 695457801 /nfs/dbraw/zinc/45/78/01/695457801.db2.gz IWVHJMSSYZTTLR-CHWSQXEVSA-N 1 0 281.356 1.129 20 5 CDBDRO O=[N+]([O-])c1cccc(-c2noc(CC[NH2+]C3CC3)n2)c1 ZINC000037606197 695464637 /nfs/dbraw/zinc/46/46/37/695464637.db2.gz ORKGVKKMDMGURV-UHFFFAOYSA-N 1 0 274.280 1.939 20 5 CDBDRO CC(C)COC(=O)N1CCCN(CC[N+](=O)[O-])CC1 ZINC000791052016 695504755 /nfs/dbraw/zinc/50/47/55/695504755.db2.gz KADSNGQYFCFMNZ-UHFFFAOYSA-N 1 0 273.333 1.063 20 5 CDBDRO C[C@@H]1COC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000932491030 695604931 /nfs/dbraw/zinc/60/49/31/695604931.db2.gz HBGKQKOZJMCGOO-ZYHUDNBSSA-N 1 0 293.323 1.548 20 5 CDBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839536777 695695741 /nfs/dbraw/zinc/69/57/41/695695741.db2.gz QOAXFEVXQQVCKL-IGQOVBAYSA-N 1 0 297.399 1.526 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923285189 695772388 /nfs/dbraw/zinc/77/23/88/695772388.db2.gz AJJDYFHMDQDKDY-BXUZGUMPSA-N 1 0 279.340 1.170 20 5 CDBDRO COC[C@@H](O)CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000230160098 695795253 /nfs/dbraw/zinc/79/52/53/695795253.db2.gz KKBUUTHEXYNNKZ-NSHDSACASA-N 1 0 288.731 1.735 20 5 CDBDRO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000930066326 695804327 /nfs/dbraw/zinc/80/43/27/695804327.db2.gz DSGIFSRXHDTYCP-ZIAGYGMSSA-N 1 0 282.315 1.990 20 5 CDBDRO CCN1C[C@@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1=O ZINC000834889767 695820911 /nfs/dbraw/zinc/82/09/11/695820911.db2.gz JNKRPQZQXUJVGX-KOLCDFICSA-N 1 0 292.339 1.448 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2nc(N3CC[NH2+]CC3)no2)cc1 ZINC000312891697 695837075 /nfs/dbraw/zinc/83/70/75/695837075.db2.gz WOBAEQFSSMOCOJ-UHFFFAOYSA-N 1 0 275.268 1.054 20 5 CDBDRO CC[NH+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000062351031 695849652 /nfs/dbraw/zinc/84/96/52/695849652.db2.gz STWVAHDWEXJRST-AWEZNQCLSA-N 1 0 279.340 1.266 20 5 CDBDRO CC(C)C[NH+]1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885926370 695864404 /nfs/dbraw/zinc/86/44/04/695864404.db2.gz CFBCGPWSLAQZKS-UHFFFAOYSA-N 1 0 278.356 1.763 20 5 CDBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)c1[N+](=O)[O-] ZINC000893907009 695890371 /nfs/dbraw/zinc/89/03/71/695890371.db2.gz GIGUXBPQZPTNKV-MWLCHTKSSA-N 1 0 296.323 1.512 20 5 CDBDRO Cc1c(NC(=O)C[C@@H]([NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000123702915 695906812 /nfs/dbraw/zinc/90/68/12/695906812.db2.gz UZIHEBSPRDJBRJ-SNVBAGLBSA-N 1 0 263.297 1.969 20 5 CDBDRO CCNC(=O)[C@H](C)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873008662 695921853 /nfs/dbraw/zinc/92/18/53/695921853.db2.gz SYXBXWBXXLLPMY-NSHDSACASA-N 1 0 279.340 1.826 20 5 CDBDRO CN(CCC[NH3+])C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000122219032 695979974 /nfs/dbraw/zinc/97/99/74/695979974.db2.gz ROLZHPMGUYUATO-UHFFFAOYSA-N 1 0 255.249 1.155 20 5 CDBDRO CC[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839198567 696036614 /nfs/dbraw/zinc/03/66/14/696036614.db2.gz QGWCKJVEKZEBFF-MCIONIFRSA-N 1 0 280.324 1.785 20 5 CDBDRO C[C@@]([NH3+])(C(=O)NC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000870884280 696056735 /nfs/dbraw/zinc/05/67/35/696056735.db2.gz TWMNLMBSHRZHFW-ZDUSSCGKSA-N 1 0 263.297 1.437 20 5 CDBDRO C[C@@H]1CCCN(Cc2cccnc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000886839464 696115316 /nfs/dbraw/zinc/11/53/16/696115316.db2.gz FLXRKJLJHKZTNV-DGCLKSJQSA-N 1 0 278.356 1.939 20 5 CDBDRO CCc1cc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000819054611 696155740 /nfs/dbraw/zinc/15/57/40/696155740.db2.gz QRXJGNBPBJCZBO-AWEZNQCLSA-N 1 0 290.323 1.704 20 5 CDBDRO Cc1nn(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000840087085 696168012 /nfs/dbraw/zinc/16/80/12/696168012.db2.gz PWRXHEBVAIDDRP-AWEZNQCLSA-N 1 0 293.371 1.475 20 5 CDBDRO [NH3+]C[C@]12CCC[C@H]1CN(Cc1cccnc1[N+](=O)[O-])C2 ZINC000886839964 696195061 /nfs/dbraw/zinc/19/50/61/696195061.db2.gz PSWPGVSGRCXNIG-JSGCOSHPSA-N 1 0 276.340 1.551 20 5 CDBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1NCC1C[NH+](C)C1 ZINC001170258389 1162320266 /nfs/dbraw/zinc/32/02/66/1162320266.db2.gz JORMUCFUNYOPOQ-UHFFFAOYSA-N 1 0 293.323 1.663 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]CC(=O)CCO)c([N+](=O)[O-])c1 ZINC001170315960 1162335704 /nfs/dbraw/zinc/33/57/04/1162335704.db2.gz ZQMGVAIRYFWIJQ-SNVBAGLBSA-N 1 0 296.323 1.076 20 5 CDBDRO CN(CC[NH3+])CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001170497004 1162636408 /nfs/dbraw/zinc/63/64/08/1162636408.db2.gz ATJRVECBJHATTN-UHFFFAOYSA-N 1 0 289.339 1.445 20 5 CDBDRO CN(CC[NH3+])CCNc1ncc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001170498617 1162644367 /nfs/dbraw/zinc/64/43/67/1162644367.db2.gz WDOMUYOEPNUMIV-UHFFFAOYSA-N 1 0 295.387 1.590 20 5 CDBDRO Cc1cc(N[C@@H](C)[C@H]2C[NH2+]CCO2)ncc1[N+](=O)[O-] ZINC001170566048 1162931585 /nfs/dbraw/zinc/93/15/85/1162931585.db2.gz DMOHFSGWEDHZLX-GXSJLCMTSA-N 1 0 266.301 1.087 20 5 CDBDRO C[C@@H](Nc1cnc(Cl)cc1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001170568203 1162945820 /nfs/dbraw/zinc/94/58/20/1162945820.db2.gz HCUNWLJGKVUUNZ-GMSGAONNSA-N 1 0 286.719 1.432 20 5 CDBDRO O=[N+]([O-])c1cccc(-n2ccnc2[C@@H]2CCC[NH2+]C2)n1 ZINC001167055463 1158454057 /nfs/dbraw/zinc/45/40/57/1158454057.db2.gz HWAVAYKIXCGJIM-SNVBAGLBSA-N 1 0 273.296 1.643 20 5 CDBDRO [NH3+]Cc1cnn(-c2cnc(Cl)cc2[N+](=O)[O-])c1 ZINC001168257347 1160563159 /nfs/dbraw/zinc/56/31/59/1160563159.db2.gz SRSCBAFUBRFARX-UHFFFAOYSA-N 1 0 253.649 1.288 20 5 CDBDRO O=C(NC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)C1CC1 ZINC001169030155 1161998217 /nfs/dbraw/zinc/99/82/17/1161998217.db2.gz XAEOCDTWTVEIIW-RISCZKNCSA-N 1 0 295.383 1.422 20 5 CDBDRO COC(C)(C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819115252 1164197147 /nfs/dbraw/zinc/19/71/47/1164197147.db2.gz GPUSSUIHIHPHGP-LBPRGKRZSA-N 1 0 268.313 1.643 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000868119060 1164911465 /nfs/dbraw/zinc/91/14/65/1164911465.db2.gz INPKPHOCFAEDHS-IUCAKERBSA-N 1 0 296.714 1.826 20 5 CDBDRO COC[C@](C)(O)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873051682 1165507153 /nfs/dbraw/zinc/50/71/53/1165507153.db2.gz MRHJORVJNYKQSA-CQSZACIVSA-N 1 0 282.340 1.699 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000053297683 1166851524 /nfs/dbraw/zinc/85/15/24/1166851524.db2.gz MJXLUOTZMTZZLL-NSHDSACASA-N 1 0 250.302 1.886 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1NCc1noc2c1C[NH2+]CC2 ZINC001155497384 1167197254 /nfs/dbraw/zinc/19/72/54/1167197254.db2.gz NASUEMZNJYYSGD-UHFFFAOYSA-N 1 0 293.258 1.375 20 5 CDBDRO Cc1ccnc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)c1[N+](=O)[O-] ZINC001155522216 1167210522 /nfs/dbraw/zinc/21/05/22/1167210522.db2.gz DQSJYEYEFNOYPV-IJLUTSLNSA-N 1 0 292.339 1.335 20 5 CDBDRO C[C@]1(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC001576542261 1171451634 /nfs/dbraw/zinc/45/16/34/1171451634.db2.gz VIYGEDGIQWTRJE-GUTXKFCHSA-N 1 0 289.335 1.567 20 5 CDBDRO C[C@@H]([NH3+])CC(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001579402495 1172169040 /nfs/dbraw/zinc/16/90/40/1172169040.db2.gz TWJZVYYPSHFBJJ-MRVPVSSYSA-N 1 0 274.280 1.819 20 5 CDBDRO Cc1cc(C(=O)N(C)C[C@@H]2CC[NH2+]2)ccc1[N+](=O)[O-] ZINC001579556964 1172212249 /nfs/dbraw/zinc/21/22/49/1172212249.db2.gz QXIZXFNZOVXXNF-NSHDSACASA-N 1 0 263.297 1.337 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC001579734385 1172250291 /nfs/dbraw/zinc/25/02/91/1172250291.db2.gz QRKHEUQOYFJUSU-MNOVXSKESA-N 1 0 298.364 1.532 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001580375960 1172418311 /nfs/dbraw/zinc/41/83/11/1172418311.db2.gz WURLZHNJVMEIJU-GXSJLCMTSA-N 1 0 275.308 1.611 20 5 CDBDRO [NH3+][C@@H]1C[C@@H]1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001580400009 1172423966 /nfs/dbraw/zinc/42/39/66/1172423966.db2.gz HJTFBLFADOUFOF-VHSXEESVSA-N 1 0 272.264 1.429 20 5 CDBDRO [NH3+][C@H]1C[C@H](CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001580427467 1172431474 /nfs/dbraw/zinc/43/14/74/1172431474.db2.gz GBMKJNKMNXIPNF-ZKCHVHJHSA-N 1 0 282.275 1.593 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(C1)CC[NH2+]CC2 ZINC001580449526 1172439680 /nfs/dbraw/zinc/43/96/80/1172439680.db2.gz MFMVNUMYJIPFQL-UHFFFAOYSA-N 1 0 290.323 1.003 20 5 CDBDRO [NH3+]C/C=C/CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000131245990 1175778980 /nfs/dbraw/zinc/77/89/80/1175778980.db2.gz CWAUGIJPIZZBNY-OWOJBTEDSA-N 1 0 259.269 1.465 20 5 CDBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)C[C@H](C)[NH2+]1 ZINC000235659227 1178239438 /nfs/dbraw/zinc/23/94/38/1178239438.db2.gz ZARCHGTVCVVAKJ-YUMQZZPRSA-N 1 0 270.720 1.830 20 5 CDBDRO Cc1cc(N[C@H]2CC[C@H]([NH3+])CC2)ncc1[N+](=O)[O-] ZINC000322156648 1186801582 /nfs/dbraw/zinc/80/15/82/1186801582.db2.gz UTOYWPIXOSZABN-MGCOHNPYSA-N 1 0 250.302 1.980 20 5 CDBDRO CC(C)NC(=[NH2+])NCCc1cccc([N+](=O)[O-])c1 ZINC000849001774 724387910 /nfs/dbraw/zinc/38/79/10/724387910.db2.gz AZEJSVAHWOTYRW-UHFFFAOYSA-N 1 0 250.302 1.660 20 5 CDBDRO COc1cc(C(=O)N2CC[NH2+]C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000135591209 724435273 /nfs/dbraw/zinc/43/52/73/724435273.db2.gz QASXPHFBLVSGBJ-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000791052038 723697986 /nfs/dbraw/zinc/69/79/86/723697986.db2.gz KGKBGNRTUGMSEK-KGLIPLIRSA-N 1 0 269.389 1.850 20 5 CDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1cccnc1[N+](=O)[O-] ZINC000886100627 723693933 /nfs/dbraw/zinc/69/39/33/723693933.db2.gz SWWCAARCEKWXJZ-QWRGUYRKSA-N 1 0 264.329 1.514 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCO[C@@H]1CCOC1 ZINC000927082973 723726470 /nfs/dbraw/zinc/72/64/70/723726470.db2.gz ISLIWMYJRGSEOD-RISCZKNCSA-N 1 0 292.335 1.977 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C1CCC([NH3+])CC1 ZINC000091845461 723747442 /nfs/dbraw/zinc/74/74/42/723747442.db2.gz YNLZGIQVBIVMFN-UHFFFAOYSA-N 1 0 266.301 1.265 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](CO)C[C@H]1CCCO1 ZINC000886229077 723782527 /nfs/dbraw/zinc/78/25/27/723782527.db2.gz KUSFWESHZZESKQ-QWHCGFSZSA-N 1 0 280.324 1.614 20 5 CDBDRO C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000886827666 723803520 /nfs/dbraw/zinc/80/35/20/723803520.db2.gz PGIRNSHFSSHILA-NXEZZACHSA-N 1 0 250.302 1.172 20 5 CDBDRO Cc1c(CNC(=[NH2+])NCC(F)F)cccc1[N+](=O)[O-] ZINC000887358062 723817913 /nfs/dbraw/zinc/81/79/13/723817913.db2.gz PLFAPJYNICLRGH-UHFFFAOYSA-N 1 0 272.255 1.782 20 5 CDBDRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cccc(F)c1 ZINC000839463671 723821466 /nfs/dbraw/zinc/82/14/66/723821466.db2.gz ZQUGCYZAXLYBOV-UPJWGTAASA-N 1 0 295.314 1.210 20 5 CDBDRO Cc1ccc(NC(=O)COC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000111795186 723861254 /nfs/dbraw/zinc/86/12/54/723861254.db2.gz KSTRTLQLRBLBBX-UHFFFAOYSA-N 1 0 293.323 1.610 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)C(N)=O ZINC000866312130 723911563 /nfs/dbraw/zinc/91/15/63/723911563.db2.gz RKHXEDRUHNUFEM-VIFPVBQESA-N 1 0 297.330 1.766 20 5 CDBDRO C[NH+]1CCC(CNc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865497914 723968877 /nfs/dbraw/zinc/96/88/77/723968877.db2.gz TZDUQSJIQZLNTR-UHFFFAOYSA-N 1 0 297.330 1.980 20 5 CDBDRO [NH3+]CCCCCCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000714024279 723981295 /nfs/dbraw/zinc/98/12/95/723981295.db2.gz GQXIZWMFRADBIY-UHFFFAOYSA-N 1 0 283.303 1.983 20 5 CDBDRO CC1CCC([NH+]2CCN(CC[N+](=O)[O-])CC2)CC1 ZINC000929658534 725409672 /nfs/dbraw/zinc/40/96/72/725409672.db2.gz AZNRAJGSZLAXPG-UHFFFAOYSA-N 1 0 255.362 1.459 20 5 CDBDRO COc1ccc(CC(=O)OCC[NH+]2CCC2)cc1[N+](=O)[O-] ZINC000861386812 724486726 /nfs/dbraw/zinc/48/67/26/724486726.db2.gz PWTJISBSNJWPAE-UHFFFAOYSA-N 1 0 294.307 1.395 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@H](C)CC[NH3+])c1[N+](=O)[O-] ZINC000843455412 724592176 /nfs/dbraw/zinc/59/21/76/724592176.db2.gz OPJUNYWWAISFPE-MRVPVSSYSA-N 1 0 269.276 1.509 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCCOCC2)cc1 ZINC000313433231 724661134 /nfs/dbraw/zinc/66/11/34/724661134.db2.gz ZKCCCEXLBMNOMQ-TZMCWYRMSA-N 1 0 280.324 1.787 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)C2CC2)c(F)c1 ZINC000778088197 724662956 /nfs/dbraw/zinc/66/29/56/724662956.db2.gz MVWNTHJUYCTENL-GFCCVEGCSA-N 1 0 254.261 1.594 20 5 CDBDRO COC[C@H]1C[C@@H]([NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])C1 ZINC000883317035 724700859 /nfs/dbraw/zinc/70/08/59/724700859.db2.gz RDIWCMJJRFWYNE-JGZJWPJOSA-N 1 0 296.323 1.824 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cn(C)nn1 ZINC000866335703 724700884 /nfs/dbraw/zinc/70/08/84/724700884.db2.gz LHVRQNGURMSOSS-SECBINFHSA-N 1 0 293.302 1.583 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[NH2+]C2)c1C ZINC000884028285 724714605 /nfs/dbraw/zinc/71/46/05/724714605.db2.gz CCGCMXMWVDMTPT-LLVKDONJSA-N 1 0 277.324 1.646 20 5 CDBDRO Cc1c(C[NH2+][C@H](C)C[S@@](C)=O)cccc1[N+](=O)[O-] ZINC000168922569 724729173 /nfs/dbraw/zinc/72/91/73/724729173.db2.gz ZCNMUXYJMJQLKK-LZVRBXCZSA-N 1 0 270.354 1.760 20 5 CDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC1([NH+](C)C)CC1 ZINC000843909834 724742973 /nfs/dbraw/zinc/74/29/73/724742973.db2.gz LTSWSOMJCCVXCN-UHFFFAOYSA-N 1 0 295.314 1.866 20 5 CDBDRO CC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850529118 724751553 /nfs/dbraw/zinc/75/15/53/724751553.db2.gz NMQOLZBDHQDOTB-WCBMZHEXSA-N 1 0 253.302 1.599 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000415141423 724766746 /nfs/dbraw/zinc/76/67/46/724766746.db2.gz WQYVQBFRORFGFY-AWEZNQCLSA-N 1 0 261.325 1.923 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000877544884 724774408 /nfs/dbraw/zinc/77/44/08/724774408.db2.gz AEQSJZIEOWIMDO-WDNDVIMCSA-N 1 0 276.336 1.882 20 5 CDBDRO Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000714028989 725220544 /nfs/dbraw/zinc/22/05/44/725220544.db2.gz INJALYPWZCIZGP-ZWNOBZJWSA-N 1 0 250.298 1.716 20 5 CDBDRO C[C@@H](COC(=O)c1cc([N+](=O)[O-])cn1C)[NH+]1CCCCC1 ZINC000847959198 723699191 /nfs/dbraw/zinc/69/91/91/723699191.db2.gz GHSWMFUNXAZAPS-NSHDSACASA-N 1 0 295.339 1.965 20 5 CDBDRO CN(CCCC[NH+](C)C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826096050 723717292 /nfs/dbraw/zinc/71/72/92/723717292.db2.gz XAEAPEPYINJVLM-UHFFFAOYSA-N 1 0 273.377 1.622 20 5 CDBDRO CC[NH+](CC)CCCOC(=O)c1cc([N+](=O)[O-])cn1C ZINC000800123756 723729789 /nfs/dbraw/zinc/72/97/89/723729789.db2.gz MMBHYMMXQRBQMY-UHFFFAOYSA-N 1 0 283.328 1.822 20 5 CDBDRO CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000923279573 723756114 /nfs/dbraw/zinc/75/61/14/723756114.db2.gz QEEMRQDZMZAVMK-CQSZACIVSA-N 1 0 279.340 1.312 20 5 CDBDRO C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000922644851 724055367 /nfs/dbraw/zinc/05/53/67/724055367.db2.gz DBUMYILOHZTTFF-GXFFZTMASA-N 1 0 292.339 1.659 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CCN(c2ncc[nH]2)CC1 ZINC000886173431 724065727 /nfs/dbraw/zinc/06/57/27/724065727.db2.gz PBCPVGCXNMUBEC-UHFFFAOYSA-N 1 0 288.311 1.035 20 5 CDBDRO CN(C(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000867943683 724087194 /nfs/dbraw/zinc/08/71/94/724087194.db2.gz CVFIWSGZUKXTBX-JSGCOSHPSA-N 1 0 293.323 1.016 20 5 CDBDRO CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000923359147 724172449 /nfs/dbraw/zinc/17/24/49/724172449.db2.gz OBOFEXRTUUUQBU-ZIAGYGMSSA-N 1 0 279.340 1.297 20 5 CDBDRO Cc1cnc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000090824874 724288898 /nfs/dbraw/zinc/28/88/98/724288898.db2.gz KRBCUDIMASFGPW-NEPJUHHUSA-N 1 0 292.339 1.573 20 5 CDBDRO C[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000134756134 724309251 /nfs/dbraw/zinc/30/92/51/724309251.db2.gz HLXTZABWFVKTQW-GWCFXTLKSA-N 1 0 267.329 1.168 20 5 CDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(N2CCCNC2=O)cc1 ZINC000930540658 724310723 /nfs/dbraw/zinc/31/07/23/724310723.db2.gz SAZNZTOPBTZNIF-NSHDSACASA-N 1 0 292.339 1.534 20 5 CDBDRO C[C@@H]([NH3+])c1cn(Cc2csc([N+](=O)[O-])c2)nn1 ZINC000881226496 724345148 /nfs/dbraw/zinc/34/51/48/724345148.db2.gz ZXYNKGLQOUEVQJ-ZCFIWIBFSA-N 1 0 253.287 1.316 20 5 CDBDRO C[NH+](C)C[C@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000799934402 725062678 /nfs/dbraw/zinc/06/26/78/725062678.db2.gz XSNPFKUITXDUHU-SECBINFHSA-N 1 0 270.358 1.829 20 5 CDBDRO C[C@H](CCCO)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843118047 725064634 /nfs/dbraw/zinc/06/46/34/725064634.db2.gz ZNLLHJDINWVPPI-RISCZKNCSA-N 1 0 282.340 1.626 20 5 CDBDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815582727 725079812 /nfs/dbraw/zinc/07/98/12/725079812.db2.gz NXBLTWRTWQXYPD-ONGXEEELSA-N 1 0 299.396 1.942 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935977181 725093680 /nfs/dbraw/zinc/09/36/80/725093680.db2.gz RBYCVVJKSPKSLU-BPNCWPANSA-N 1 0 291.351 1.765 20 5 CDBDRO Cc1c(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)cccc1[N+](=O)[O-] ZINC000261669991 725098304 /nfs/dbraw/zinc/09/83/04/725098304.db2.gz ZYZNTJXAEMEZAD-MWLCHTKSSA-N 1 0 263.297 1.465 20 5 CDBDRO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886081219 725101684 /nfs/dbraw/zinc/10/16/84/725101684.db2.gz KDFXUSYWZHXIGM-GHMZBOCLSA-N 1 0 265.313 1.583 20 5 CDBDRO Cc1c(C[NH2+]CCN2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000873147795 725104023 /nfs/dbraw/zinc/10/40/23/725104023.db2.gz ZMYYJZKAODARQQ-ZDUSSCGKSA-N 1 0 279.340 1.059 20 5 CDBDRO Cn1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819129818 725116777 /nfs/dbraw/zinc/11/67/77/725116777.db2.gz PGIFSZGGGKLXGG-AWEZNQCLSA-N 1 0 275.308 1.757 20 5 CDBDRO O=C(NCC1C[NH+](CCCC2CCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031663051 725130480 /nfs/dbraw/zinc/13/04/80/725130480.db2.gz PSYGXBNNSFSVFZ-ZIAGYGMSSA-N 1 0 295.383 1.280 20 5 CDBDRO CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000858578153 725166249 /nfs/dbraw/zinc/16/62/49/725166249.db2.gz HEYIQHYWYMCASY-QWRGUYRKSA-N 1 0 295.339 1.962 20 5 CDBDRO C[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000923375958 725179511 /nfs/dbraw/zinc/17/95/11/725179511.db2.gz SLQGPDWAIGTXJF-OSAQELSMSA-N 1 0 293.367 1.545 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000037669338 725201391 /nfs/dbraw/zinc/20/13/91/725201391.db2.gz QKIHQMGNZVGEMI-UHFFFAOYSA-N 1 0 269.276 1.463 20 5 CDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CC1 ZINC001039583571 725215767 /nfs/dbraw/zinc/21/57/67/725215767.db2.gz RMDHEBMUIZTWNZ-XJFOESAGSA-N 1 0 293.367 1.127 20 5 CDBDRO C[C@]([NH3+])(C(=O)NC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000870884279 725228449 /nfs/dbraw/zinc/22/84/49/725228449.db2.gz TWMNLMBSHRZHFW-CYBMUJFWSA-N 1 0 263.297 1.437 20 5 CDBDRO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000842615306 725290986 /nfs/dbraw/zinc/29/09/86/725290986.db2.gz LMQLQJWZPQLWGQ-AAEUAGOBSA-N 1 0 280.328 1.640 20 5 CDBDRO Cc1nn(CN2CC[NH+](CC3CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000077446638 725313300 /nfs/dbraw/zinc/31/33/00/725313300.db2.gz NXVDBRPPERURGA-UHFFFAOYSA-N 1 0 293.371 1.393 20 5 CDBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839537691 725373560 /nfs/dbraw/zinc/37/35/60/725373560.db2.gz YRIUEOVEYGZSFJ-YNEHKIRRSA-N 1 0 283.372 1.280 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cnnn1C ZINC000806659818 725374861 /nfs/dbraw/zinc/37/48/61/725374861.db2.gz GLOQUTRBHXGXRI-SNVBAGLBSA-N 1 0 275.312 1.883 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)C(N)=O ZINC000866312127 725392783 /nfs/dbraw/zinc/39/27/83/725392783.db2.gz RKHXEDRUHNUFEM-SECBINFHSA-N 1 0 297.330 1.766 20 5 CDBDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843428160 725403197 /nfs/dbraw/zinc/40/31/97/725403197.db2.gz PQWDWOKJUXSZLY-ZYHUDNBSSA-N 1 0 286.715 1.752 20 5 CDBDRO CN(CCOCC[NH3+])C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000877058314 725408897 /nfs/dbraw/zinc/40/88/97/725408897.db2.gz ADNOVVSEXPDSQK-DAXSKMNVSA-N 1 0 293.323 1.042 20 5 CDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@H]1CC[NH2+]C1 ZINC000841856540 725409271 /nfs/dbraw/zinc/40/92/71/725409271.db2.gz RWPXWRUSELQUDZ-SECBINFHSA-N 1 0 298.730 1.409 20 5 CDBDRO C[C@@H]1COCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590590 725409364 /nfs/dbraw/zinc/40/93/64/725409364.db2.gz IGQJEFKBCKQPAN-BXUZGUMPSA-N 1 0 280.324 1.739 20 5 CDBDRO CCn1ncc(C[NH2+]CCc2ccccc2[N+](=O)[O-])n1 ZINC000838965215 725411796 /nfs/dbraw/zinc/41/17/96/725411796.db2.gz SCLXCTBFEXFSTF-UHFFFAOYSA-N 1 0 275.312 1.539 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2C[C@H](O)C2)n1 ZINC000872126462 725412391 /nfs/dbraw/zinc/41/23/91/725412391.db2.gz NWQGBJAICBFGRG-ZDEQEGDKSA-N 1 0 294.355 1.636 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000882479282 725502739 /nfs/dbraw/zinc/50/27/39/725502739.db2.gz RQWQFLXGJHFSCJ-JTQLQIEISA-N 1 0 263.297 1.419 20 5 CDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](C)([NH3+])C1 ZINC000868073875 725507576 /nfs/dbraw/zinc/50/75/76/725507576.db2.gz SKCJGJBRJXDGJL-AWEZNQCLSA-N 1 0 292.339 1.224 20 5 CDBDRO CC(C)(C)OC(=O)N1C[C@@H]2CCN(CC[N+](=O)[O-])[C@@H]2C1 ZINC000930664653 725539721 /nfs/dbraw/zinc/53/97/21/725539721.db2.gz HZIJJITUFKRERT-WDEREUQCSA-N 1 0 285.344 1.204 20 5 CDBDRO C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000826069557 725572152 /nfs/dbraw/zinc/57/21/52/725572152.db2.gz ZJTIKYIGJQDZEO-LLVKDONJSA-N 1 0 287.404 1.914 20 5 CDBDRO COC[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886011291 725615129 /nfs/dbraw/zinc/61/51/29/725615129.db2.gz XXBIPZWUEZWKNG-NSHDSACASA-N 1 0 265.313 1.848 20 5 CDBDRO CC(C)(C)NC(=[NH2+])NCCOc1ccc([N+](=O)[O-])cc1 ZINC000849007314 725977324 /nfs/dbraw/zinc/97/73/24/725977324.db2.gz JKQHBKDJYPFDKG-UHFFFAOYSA-N 1 0 280.328 1.886 20 5 CDBDRO COC(=O)[C@@]1(C)C[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000886304315 725995385 /nfs/dbraw/zinc/99/53/85/725995385.db2.gz UGKSCUGQRVNHEF-HZMBPMFUSA-N 1 0 293.323 1.621 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)cc1F ZINC000839648269 725995597 /nfs/dbraw/zinc/99/55/97/725995597.db2.gz CFGDNVINOGDKOG-DGCLKSJQSA-N 1 0 298.314 1.611 20 5 CDBDRO Cc1c(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000818015211 726007520 /nfs/dbraw/zinc/00/75/20/726007520.db2.gz LMEPWBAKRRTZDT-HNNXBMFYSA-N 1 0 289.335 1.871 20 5 CDBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC001173217069 912301134 /nfs/dbraw/zinc/30/11/34/912301134.db2.gz OZNWSZLOYSMVTO-CABZTGNLSA-N 1 0 265.313 1.379 20 5 CDBDRO C[C@@H](O)CC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173219364 912301156 /nfs/dbraw/zinc/30/11/56/912301156.db2.gz BNOZWHCWDCZOPV-WDEREUQCSA-N 1 0 252.314 1.886 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1C[C@@H](O)C1 ZINC001173218127 912302141 /nfs/dbraw/zinc/30/21/41/912302141.db2.gz OJYZLOGSESLNSE-QKCSRTOESA-N 1 0 264.325 1.886 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CC1CC[NH2+]CC1 ZINC000094021972 912330754 /nfs/dbraw/zinc/33/07/54/912330754.db2.gz KYVPPBCYHNLKQX-UHFFFAOYSA-N 1 0 291.351 1.975 20 5 CDBDRO C[N@@H+]1CC[C@H](Nc2ccc3c([N+](=O)[O-])c[nH]c3n2)C1 ZINC001167270264 895006796 /nfs/dbraw/zinc/00/67/96/895006796.db2.gz QTDMCQQATCRRHY-QMMMGPOBSA-N 1 0 261.285 1.587 20 5 CDBDRO C/C=C(\C)C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001125438140 895488959 /nfs/dbraw/zinc/48/89/59/895488959.db2.gz QENKFKYODUUXJN-QDEBKDIKSA-N 1 0 277.324 1.767 20 5 CDBDRO [NH3+]Cc1cccn1-c1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001167586703 896923761 /nfs/dbraw/zinc/92/37/61/896923761.db2.gz TUPQKINCWHMXEF-UHFFFAOYSA-N 1 0 258.241 1.116 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NC(=N)SCC[NH3+] ZINC001167910788 902103095 /nfs/dbraw/zinc/10/30/95/902103095.db2.gz XKWQUJJQTLULRL-UHFFFAOYSA-N 1 0 271.302 1.037 20 5 CDBDRO CC[N@@H+]1CC[C@H](OCc2ccc([N+](=O)[O-])nc2)C1 ZINC001224109074 909165390 /nfs/dbraw/zinc/16/53/90/909165390.db2.gz MXOOLHGPRQCJII-NSHDSACASA-N 1 0 251.286 1.601 20 5 CDBDRO CCOC(=O)C[C@@H](OCC[N+](C)(C)C)C(F)(F)F ZINC001224771927 910662306 /nfs/dbraw/zinc/66/23/06/910662306.db2.gz UQMZOEMSTSXYHW-SECBINFHSA-N 1 0 272.287 1.593 20 5 CDBDRO NC(=[NH2+])c1nccn1-c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001168410804 911837304 /nfs/dbraw/zinc/83/73/04/911837304.db2.gz PPXTZWJNDZWPEE-UHFFFAOYSA-N 1 0 286.295 1.338 20 5 CDBDRO [NH3+][C@@H]1CCN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899200 912039699 /nfs/dbraw/zinc/03/96/99/912039699.db2.gz MDFGHOARLAVYQG-KGLIPLIRSA-N 1 0 275.352 1.875 20 5 CDBDRO NC(=[NH2+])c1nccn1-c1ccc2cnccc2c1[N+](=O)[O-] ZINC001168417195 912156625 /nfs/dbraw/zinc/15/66/25/912156625.db2.gz BTKOCFGVMICGMI-UHFFFAOYSA-N 1 0 282.263 1.613 20 5 CDBDRO CCCOCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001124444572 936316868 /nfs/dbraw/zinc/31/68/68/936316868.db2.gz UADPNWJGEVWDFF-UHFFFAOYSA-N 1 0 295.339 1.227 20 5 CDBDRO COCCC1([NH3+])CCN(c2cc([N+](=O)[O-])ccn2)CC1 ZINC001162042140 921884306 /nfs/dbraw/zinc/88/43/06/921884306.db2.gz YAWKQGPYRPIULL-UHFFFAOYSA-N 1 0 280.328 1.324 20 5 CDBDRO COc1cccc(-n2nc(C[NH3+])cc2C)c1[N+](=O)[O-] ZINC001163985700 924452651 /nfs/dbraw/zinc/45/26/51/924452651.db2.gz ZQCDPFUZISCYFT-UHFFFAOYSA-N 1 0 262.269 1.556 20 5 CDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2CC2)cc1 ZINC000081942303 925497533 /nfs/dbraw/zinc/49/75/33/925497533.db2.gz XSLOKYTVLYQHTO-UHFFFAOYSA-N 1 0 270.310 1.121 20 5 CDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@H]([NH3+])C2)n1 ZINC001156229080 927500061 /nfs/dbraw/zinc/50/00/61/927500061.db2.gz SVUKUCVNPJVUNQ-YFKPBYRVSA-N 1 0 289.748 1.298 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cnccn1 ZINC001168978138 927566659 /nfs/dbraw/zinc/56/66/59/927566659.db2.gz OTGXRDPZLOWDEU-HBNTYKKESA-N 1 0 250.302 1.573 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC001168979550 927568714 /nfs/dbraw/zinc/56/87/14/927568714.db2.gz ZDVDXBFVFFMJES-SCZZXKLOSA-N 1 0 266.301 1.482 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1c(Cl)nccc1[N+](=O)[O-] ZINC001168984803 927572153 /nfs/dbraw/zinc/57/21/53/927572153.db2.gz BDDPNNSANPJNMY-UHFFFAOYSA-N 1 0 282.691 1.034 20 5 CDBDRO O=C(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)Cc1ccc(F)cc1 ZINC001168985309 927572779 /nfs/dbraw/zinc/57/27/79/927572779.db2.gz DGGDIDALILYCCM-OCCSQVGLSA-N 1 0 294.326 1.972 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C1 ZINC001168956308 927576674 /nfs/dbraw/zinc/57/66/74/927576674.db2.gz DKTZCXOPZBWTTE-DDTOSNHZSA-N 1 0 282.315 1.894 20 5 CDBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H](O)c1cccc(O)c1 ZINC001168986228 927579031 /nfs/dbraw/zinc/57/90/31/927579031.db2.gz XEOSEWNTEQCYBE-WJNVRWDZSA-N 1 0 294.351 1.849 20 5 CDBDRO Cc1cc(C)n(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168964227 927586561 /nfs/dbraw/zinc/58/65/61/927586561.db2.gz SCABNZKDGZSVLL-OLZOCXBDSA-N 1 0 266.345 1.535 20 5 CDBDRO COC(=O)C12CC([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)(C1)C2 ZINC001168965322 927589167 /nfs/dbraw/zinc/58/91/67/927589167.db2.gz ZSTZRUGQNRGXBF-PGKBUCCNSA-N 1 0 268.313 1.117 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H](CO)c2ccccc2F)C1 ZINC001168997210 927603087 /nfs/dbraw/zinc/60/30/87/927603087.db2.gz BXNYHNIOZNBGSC-COPLHBTASA-N 1 0 282.315 1.894 20 5 CDBDRO C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]1CC[C@H](O)CC1 ZINC001169011269 927616295 /nfs/dbraw/zinc/61/62/95/927616295.db2.gz JBZIKYRYVTYJLY-FVCCEPFGSA-N 1 0 256.346 1.667 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(CO)Cc3ccccc3C2)C1 ZINC001168988156 927625354 /nfs/dbraw/zinc/62/53/54/927625354.db2.gz OMKXAHXJWZYJTG-SWLSCSKDSA-N 1 0 290.363 1.551 20 5 CDBDRO CC(C)[C@@H]1COCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169033290 927642556 /nfs/dbraw/zinc/64/25/56/927642556.db2.gz BSDNSWHOFIBNET-AVGNSLFASA-N 1 0 256.346 1.789 20 5 CDBDRO O=C1OCCN1C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169039472 927650489 /nfs/dbraw/zinc/65/04/89/927650489.db2.gz PWHJXMNZOSOUHV-DGCLKSJQSA-N 1 0 297.355 1.348 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CC[C@H]3OCCC[C@@H]3C2)C1 ZINC001169054267 927673379 /nfs/dbraw/zinc/67/33/79/927673379.db2.gz LKHSZSHRFHZMNS-RFQIPJPRSA-N 1 0 268.357 1.933 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2ccc([C@H](C)[NH3+])n2)c1 ZINC001169235669 927864324 /nfs/dbraw/zinc/86/43/24/927864324.db2.gz YZQKFEAZVHMOER-QMMMGPOBSA-N 1 0 290.279 1.587 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1cc([N+](=O)[O-])ccc1Cl ZINC001170865875 930533466 /nfs/dbraw/zinc/53/34/66/930533466.db2.gz RMDOAIVKGCDKOP-JTQLQIEISA-N 1 0 259.693 1.717 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)nc1NC[C@@H]1CCCC[NH2+]1 ZINC001160145506 931212985 /nfs/dbraw/zinc/21/29/85/931212985.db2.gz RPAHXIRPLGZJJH-ZETCQYMHSA-N 1 0 271.708 1.592 20 5 CDBDRO Cc1c(-c2noc([C@H]3C[NH2+]CCO3)n2)cccc1[N+](=O)[O-] ZINC000823268965 931280633 /nfs/dbraw/zinc/28/06/33/931280633.db2.gz ACDPYDJOTQRVFQ-LLVKDONJSA-N 1 0 290.279 1.614 20 5 CDBDRO O=[N+]([O-])c1cccc(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)n1 ZINC001160737655 932085283 /nfs/dbraw/zinc/08/52/83/932085283.db2.gz QJNRUAJRWFHCMR-YUMQZZPRSA-N 1 0 290.245 1.942 20 5 CDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1cc([N+](=O)[O-])cc(Cl)n1 ZINC001154747007 937581629 /nfs/dbraw/zinc/58/16/29/937581629.db2.gz DUCQXJXBSRNNJZ-VIFPVBQESA-N 1 0 299.762 1.349 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001155118300 937637891 /nfs/dbraw/zinc/63/78/91/937637891.db2.gz LCXWQXFYQMLAIV-GFCCVEGCSA-N 1 0 283.307 1.466 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001155663094 937661482 /nfs/dbraw/zinc/66/14/82/937661482.db2.gz SXFIHUBHMYSAHO-JTQLQIEISA-N 1 0 293.283 1.404 20 5 CDBDRO CN(CC[NH3+])C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001121991335 937896893 /nfs/dbraw/zinc/89/68/93/937896893.db2.gz YMSNQYWQQZXIBH-NWDGAFQWSA-N 1 0 263.297 1.115 20 5 CDBDRO C[C@H](NC(=O)[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001122252853 937915796 /nfs/dbraw/zinc/91/57/96/937915796.db2.gz ZGKQDZWYLGHUBA-JOYOIKCWSA-N 1 0 263.297 1.524 20 5 CDBDRO C[N@@H+]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001156591000 938390115 /nfs/dbraw/zinc/39/01/15/938390115.db2.gz QWRQCLKAJINBLW-VIFPVBQESA-N 1 0 283.353 1.726 20 5 CDBDRO Cc1c(C)c(N2CC[NH2+][C@H](C)C2)ncc1[N+](=O)[O-] ZINC001156691789 938406567 /nfs/dbraw/zinc/40/65/67/938406567.db2.gz GARKZEOLXSSGGE-MRVPVSSYSA-N 1 0 250.302 1.405 20 5 CDBDRO [NH3+]Cc1cccn1-c1cc(Cl)ncc1[N+](=O)[O-] ZINC001156724102 938410807 /nfs/dbraw/zinc/41/08/07/938410807.db2.gz WUTOMTCTDCZPMY-UHFFFAOYSA-N 1 0 252.661 1.893 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001156850578 938425867 /nfs/dbraw/zinc/42/58/67/938425867.db2.gz MXLLTURYENUFPK-UHFFFAOYSA-N 1 0 284.279 1.200 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(-n2nc(C[NH3+])c3ccccc32)n1 ZINC001156855893 938426822 /nfs/dbraw/zinc/42/68/22/938426822.db2.gz REBQQIKCSRIAQF-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO Cc1nc(N(C)[C@@]2(C)CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001156957518 938438773 /nfs/dbraw/zinc/43/87/73/938438773.db2.gz WJHUFECWZRDULU-ZDUSSCGKSA-N 1 0 264.329 1.877 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001157467976 938497508 /nfs/dbraw/zinc/49/75/08/938497508.db2.gz KLILQHCNUZOPNP-AWEZNQCLSA-N 1 0 292.339 1.341 20 5 CDBDRO [NH3+][C@@H]1CCc2nn(-c3cc([N+](=O)[O-])cc(Cl)n3)cc2C1 ZINC001157979588 938571069 /nfs/dbraw/zinc/57/10/69/938571069.db2.gz GICSOPLRXQCMAF-MRVPVSSYSA-N 1 0 293.714 1.645 20 5 CDBDRO C[C@H]1CN(c2cc([N+](=O)[O-])cc(Cl)n2)C[C@H](C)[NH2+]1 ZINC001158172210 938589914 /nfs/dbraw/zinc/58/99/14/938589914.db2.gz CBFOVXITFZFOEN-YUMQZZPRSA-N 1 0 270.720 1.830 20 5 CDBDRO Nc1nc(-n2cc(CC[NH3+])c3ncccc32)ccc1[N+](=O)[O-] ZINC001158749069 938660106 /nfs/dbraw/zinc/66/01/06/938660106.db2.gz XBPIEHWTQHENQT-UHFFFAOYSA-N 1 0 298.306 1.412 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(NC(C)(C)CC[NH+](C)C)n1 ZINC001158757515 938660465 /nfs/dbraw/zinc/66/04/65/938660465.db2.gz PCMAZPCZSGAEKX-UHFFFAOYSA-N 1 0 297.359 1.844 20 5 CDBDRO Cc1c(C)c(N2CC3(C2)C[NH+](C)C3)ncc1[N+](=O)[O-] ZINC001158866488 938673482 /nfs/dbraw/zinc/67/34/82/938673482.db2.gz SIONKHWHSYYWPW-UHFFFAOYSA-N 1 0 262.313 1.358 20 5 CDBDRO C[C@H](Nc1cc([N+](=O)[O-])c2cc[nH]c2n1)[C@@H]1C[NH2+]CCO1 ZINC001159496745 938733397 /nfs/dbraw/zinc/73/33/97/938733397.db2.gz FLUKAMYZFUWCLT-KWQFWETISA-N 1 0 291.311 1.260 20 5 CDBDRO OC[C@@H]1C[NH2+]C[C@H]1Nc1ccc2ccc3cccnc3c2n1 ZINC001159670466 938743756 /nfs/dbraw/zinc/74/37/56/938743756.db2.gz FNPVHNYJBFQHLN-UONOGXRCSA-N 1 0 294.358 1.775 20 5 CDBDRO [NH3+]Cc1ccc(Nc2ncc([N+](=O)[O-])cc2F)cn1 ZINC001160402214 938784502 /nfs/dbraw/zinc/78/45/02/938784502.db2.gz NZCHZDOZIFWAAY-UHFFFAOYSA-N 1 0 263.232 1.726 20 5 CDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1NC/C=C/C[NH3+] ZINC001160983260 938854188 /nfs/dbraw/zinc/85/41/88/938854188.db2.gz WHWAWVLUGGFSRN-ONEGZZNKSA-N 1 0 280.284 1.093 20 5 CDBDRO COC(=O)c1cc(NCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001161671121 938918912 /nfs/dbraw/zinc/91/89/12/938918912.db2.gz KUZJDDDGMZPWSN-UHFFFAOYSA-N 1 0 267.285 1.355 20 5 CDBDRO [NH3+]Cc1cn(-c2cc([N+](=O)[O-])cc(Br)n2)cn1 ZINC001162302645 938975507 /nfs/dbraw/zinc/97/55/07/938975507.db2.gz YEDIFDQRQRSRNZ-UHFFFAOYSA-N 1 0 298.100 1.397 20 5 CDBDRO COc1ncc([N+](=O)[O-])c(N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC001162392677 939042588 /nfs/dbraw/zinc/04/25/88/939042588.db2.gz RKHNBXXESLTMFV-JGVFFNPUSA-N 1 0 267.289 1.075 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1NC[C@]1(F)CCCC[NH2+]C1 ZINC001162582884 939094162 /nfs/dbraw/zinc/09/41/62/939094162.db2.gz GJZQSTBCANRBKN-ZDUSSCGKSA-N 1 0 298.318 1.892 20 5 CDBDRO Cc1nc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)ccc1[N+](=O)[O-] ZINC001162790420 939140568 /nfs/dbraw/zinc/14/05/68/939140568.db2.gz SIIKCMQHAJOURJ-GARJFASQSA-N 1 0 260.297 1.484 20 5 CDBDRO [NH3+][C@H]1Cc2ccccc2N(c2ncc([N+](=O)[O-])cn2)C1 ZINC001162841177 939150654 /nfs/dbraw/zinc/15/06/54/939150654.db2.gz DACHKRDZNRUKFQ-JTQLQIEISA-N 1 0 271.280 1.406 20 5 CDBDRO [NH3+][C@@H]1Cc2ccccc2N(c2ncc([N+](=O)[O-])cn2)C1 ZINC001162841178 939150756 /nfs/dbraw/zinc/15/07/56/939150756.db2.gz DACHKRDZNRUKFQ-SNVBAGLBSA-N 1 0 271.280 1.406 20 5 CDBDRO COc1ncnc(N(C(C)C)C(C)(C)C[NH3+])c1[N+](=O)[O-] ZINC001163188013 939222056 /nfs/dbraw/zinc/22/20/56/939222056.db2.gz JFPJQVWBLLRWLZ-UHFFFAOYSA-N 1 0 283.332 1.346 20 5 CDBDRO CCOc1cc(NC[C@@]23C[NH2+][C@@H](CO2)C3)ccc1[N+](=O)[O-] ZINC001163204211 939225590 /nfs/dbraw/zinc/22/55/90/939225590.db2.gz XQIBKLFBNALZPW-RISCZKNCSA-N 1 0 293.323 1.536 20 5 CDBDRO O=[N+]([O-])c1cnc2ccc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)cn21 ZINC001163262837 939235181 /nfs/dbraw/zinc/23/51/81/939235181.db2.gz KZNOHCZPZXPOAT-USWWRNFRSA-N 1 0 287.323 1.652 20 5 CDBDRO Cc1ccc2c(ccnc2N2CC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001164275614 939443974 /nfs/dbraw/zinc/44/39/74/939443974.db2.gz LXPGVKZIUGJKGN-JTQLQIEISA-N 1 0 272.308 1.989 20 5 CDBDRO [NH3+][C@H]1CCN(c2cc([N+](=O)[O-])cc(Br)n2)C1 ZINC001164282298 939445665 /nfs/dbraw/zinc/44/56/65/939445665.db2.gz VWORXOOHDJXUKT-LURJTMIESA-N 1 0 287.117 1.290 20 5 CDBDRO Cc1cc(NOCC[NH3+])c([N+](=O)[O-])cc1Br ZINC001164435861 939473418 /nfs/dbraw/zinc/47/34/18/939473418.db2.gz PIYPHHXPAAJVBA-UHFFFAOYSA-N 1 0 290.117 1.968 20 5 CDBDRO C[C@H]1CC[C@@H](C[NH3+])CN1c1cc(N)c([N+](=O)[O-])cn1 ZINC001164468243 939476814 /nfs/dbraw/zinc/47/68/14/939476814.db2.gz PTLPPUQHHTWXQH-IUCAKERBSA-N 1 0 265.317 1.136 20 5 CDBDRO CN(C1C[NH2+]C1)C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001165126156 939514603 /nfs/dbraw/zinc/51/46/03/939514603.db2.gz CSVORXHQMSBPCX-UHFFFAOYSA-N 1 0 292.673 1.596 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3cnc4ccc([N+](=O)[O-])cc4n3)C[C@H]2C1 ZINC001165147851 939518595 /nfs/dbraw/zinc/51/85/95/939518595.db2.gz KGKJDXWBBWCWBC-PHIMTYICSA-N 1 0 299.334 1.536 20 5 CDBDRO [NH3+][C@H]1CCN(c2cc([N+](=O)[O-])cc(Cl)n2)CC1(F)F ZINC001166959721 939660834 /nfs/dbraw/zinc/66/08/34/939660834.db2.gz IZROGCSZSYWDGX-ZETCQYMHSA-N 1 0 292.673 1.816 20 5 CDBDRO CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000165892485 940312377 /nfs/dbraw/zinc/31/23/77/940312377.db2.gz QFWWRWJPYNRLBJ-LBPRGKRZSA-N 1 0 295.314 1.948 20 5 CDBDRO O=[N+]([O-])C[C@H](OC[C@@H]1CCC[NH2+]C1)c1cccnc1 ZINC001217867101 941025529 /nfs/dbraw/zinc/02/55/29/941025529.db2.gz XPVHTOHMPWTNDG-YPMHNXCESA-N 1 0 265.313 1.416 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(O[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218278194 941050800 /nfs/dbraw/zinc/05/08/00/941050800.db2.gz ASMOGTVSIQICDU-VIFPVBQESA-N 1 0 281.268 1.942 20 5 CDBDRO COC(=O)c1cccc(O[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001218282743 941051255 /nfs/dbraw/zinc/05/12/55/941051255.db2.gz BBNAKFSLMBZJQC-SECBINFHSA-N 1 0 280.280 1.512 20 5 CDBDRO C[C@H](CN1CCOCC1)OCc1ccc([N+](=O)[O-])cc1 ZINC001222789332 941634803 /nfs/dbraw/zinc/63/48/03/941634803.db2.gz KJNBODMQQLFVDK-GFCCVEGCSA-N 1 0 280.324 1.832 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCc1cccc(C(N)=O)c1 ZINC001222961595 941644813 /nfs/dbraw/zinc/64/48/13/941644813.db2.gz ZRYVHHGQHVZMGZ-NSHDSACASA-O 1 0 251.350 1.397 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1CO[C@H]1CC[N@H+](C)C1 ZINC001223942731 941708459 /nfs/dbraw/zinc/70/84/59/941708459.db2.gz CCQFQDXSAREDTK-LBPRGKRZSA-N 1 0 266.297 1.824 20 5 CDBDRO COC(=O)c1coc(CO[C@@H](C)C[N+](C)(C)C)n1 ZINC001224253336 941733891 /nfs/dbraw/zinc/73/38/91/941733891.db2.gz XRPOYNFSMXXXBH-VIFPVBQESA-N 1 0 257.310 1.073 20 5 CDBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](OCC[N+](C)(C)C)[C@@H]2C1 ZINC001224775442 941790441 /nfs/dbraw/zinc/79/04/41/941790441.db2.gz KUJHSNFSYCWCOI-BFHYXJOUSA-N 1 0 299.435 1.965 20 5 CDBDRO COC(=O)c1cc(OC)ccc1O[C@H](C)C[N+](C)(C)C ZINC001225812936 941916303 /nfs/dbraw/zinc/91/63/03/941916303.db2.gz LVGONTYZLODYRL-LLVKDONJSA-N 1 0 282.360 1.955 20 5 CDBDRO Cc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(F)c1F ZINC001225942825 941932936 /nfs/dbraw/zinc/93/29/36/941932936.db2.gz RFNDLSOGUORBHW-SNVBAGLBSA-N 1 0 288.314 1.636 20 5 CDBDRO COc1cc(O[C@H]2C[NH+]3CCC2CC3)ncc1[N+](=O)[O-] ZINC001226581091 942030185 /nfs/dbraw/zinc/03/01/85/942030185.db2.gz KKNCHJDRLXSRJC-LBPRGKRZSA-N 1 0 279.296 1.471 20 5 CDBDRO CCN1CC(Oc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001226804506 942074351 /nfs/dbraw/zinc/07/43/51/942074351.db2.gz NGLUBSGYIGMAPR-UHFFFAOYSA-N 1 0 292.270 1.760 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2cc(Cl)c([N+](=O)[O-])cn2)C1 ZINC001226918476 942094567 /nfs/dbraw/zinc/09/45/67/942094567.db2.gz XKBSERRFAGWTBN-SSDOTTSWSA-N 1 0 257.677 1.726 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncnc2sccc21 ZINC001227213564 942151027 /nfs/dbraw/zinc/15/10/27/942151027.db2.gz CJNABMCRYYRDML-SECBINFHSA-N 1 0 296.372 1.054 20 5 CDBDRO CC(C)[NH+]1CC(Oc2ncc([N+](=O)[O-])c3[n-]cnc32)C1 ZINC001227692752 942205910 /nfs/dbraw/zinc/20/59/10/942205910.db2.gz BVEFXSAZPKLJQM-UHFFFAOYSA-N 1 0 277.284 1.338 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2[nH]ccc21 ZINC001228183220 942278955 /nfs/dbraw/zinc/27/89/55/942278955.db2.gz UZLYPPAGTJPFIM-LLVKDONJSA-N 1 0 277.344 1.531 20 5 CDBDRO COC(=O)c1cc(OC)cc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001229257465 942442233 /nfs/dbraw/zinc/44/22/33/942442233.db2.gz PZOHDEYGHWFCKN-LLVKDONJSA-N 1 0 282.360 1.955 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001263108915 943750483 /nfs/dbraw/zinc/75/04/83/943750483.db2.gz JYNCKSKJCYNIED-IAZYJMLFSA-N 1 0 293.348 1.264 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[C@@H]1C[NH3+] ZINC001263214896 943792025 /nfs/dbraw/zinc/79/20/25/943792025.db2.gz XULXPERYNMXLOI-NXEZZACHSA-N 1 0 295.314 1.791 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCNC(=O)C1 ZINC001254535803 947515557 /nfs/dbraw/zinc/51/55/57/947515557.db2.gz LGFLNGJVQASAGG-ZYHUDNBSSA-N 1 0 277.324 1.394 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](O)C[C@H]1C ZINC001254553731 947525238 /nfs/dbraw/zinc/52/52/38/947525238.db2.gz XYDLWLXXZPCWPE-LOWVWBTDSA-N 1 0 264.325 1.981 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCCOC1)C2 ZINC001254572667 947533611 /nfs/dbraw/zinc/53/36/11/947533611.db2.gz ROENCNLDKPLOET-CHWSQXEVSA-N 1 0 262.309 1.831 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cnco1)C2 ZINC001254576875 947534655 /nfs/dbraw/zinc/53/46/55/947534655.db2.gz ALORGMBKYVCUJT-NSHDSACASA-N 1 0 259.265 1.840 20 5 CDBDRO CN([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(C)(C)C[NH3+] ZINC001254580015 947538186 /nfs/dbraw/zinc/53/81/86/947538186.db2.gz YRIPSHVKJOOASW-ZDUSSCGKSA-N 1 0 263.341 1.731 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCCOCCO)C2 ZINC001254581224 947538610 /nfs/dbraw/zinc/53/86/10/947538610.db2.gz MPYGCUJARXLIIR-CYBMUJFWSA-N 1 0 280.324 1.051 20 5 CDBDRO Cc1nccnc1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254586871 947543695 /nfs/dbraw/zinc/54/36/95/947543695.db2.gz LRYRTHVAHVOFDY-ZDUSSCGKSA-N 1 0 284.319 1.950 20 5 CDBDRO COC(=O)[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254593248 947544682 /nfs/dbraw/zinc/54/46/82/947544682.db2.gz KKOZJLYTCZOQRC-BXUZGUMPSA-N 1 0 290.319 1.557 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCc3nccn3CC1)C2 ZINC001254605504 947552438 /nfs/dbraw/zinc/55/24/38/947552438.db2.gz ANBVDEYWKRCQNR-OAHLLOKOSA-N 1 0 298.346 1.817 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@H]1CC[NH2+]C[C@H]1F)C2 ZINC001246088603 947939192 /nfs/dbraw/zinc/93/91/92/947939192.db2.gz VINVEBSBAAIBTI-BNOWGMLFSA-N 1 0 279.315 1.352 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N[C@H]1C[NH2+]CC13CC3)C2 ZINC001246127887 947974466 /nfs/dbraw/zinc/97/44/66/947974466.db2.gz CKLMLFHWAGFFLB-JSGCOSHPSA-N 1 0 273.336 1.404 20 5 CDBDRO COc1ccc(C[C@H](C)N[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246130809 947975901 /nfs/dbraw/zinc/97/59/01/947975901.db2.gz VVQFIRUSHNOWQL-AAEUAGOBSA-N 1 0 293.367 1.876 20 5 CDBDRO CC(C)Oc1nc(NCC[N@H+](C)CCO)ccc1[N+](=O)[O-] ZINC001307207846 954807167 /nfs/dbraw/zinc/80/71/67/954807167.db2.gz CEGZOQUQDBWMGL-UHFFFAOYSA-N 1 0 298.343 1.113 20 5 CDBDRO CC[N@H+](C)[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001306058219 956300595 /nfs/dbraw/zinc/30/05/95/956300595.db2.gz UZARWZZDNKXSNJ-AWEZNQCLSA-N 1 0 291.351 1.690 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@H]2[C@@H]2CCCO2)n1 ZINC001308163074 956483048 /nfs/dbraw/zinc/48/30/48/956483048.db2.gz YQGZXCUTLVQQOL-STQMWFEESA-N 1 0 294.355 1.825 20 5 CDBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C3(CO)CCC3)nc2c1 ZINC001308644156 956555892 /nfs/dbraw/zinc/55/58/92/956555892.db2.gz YJCZKDPHBKAMIB-UHFFFAOYSA-N 1 0 277.280 1.741 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331455418 957073143 /nfs/dbraw/zinc/07/31/43/957073143.db2.gz JXRIGUIJRGXSBI-GFCCVEGCSA-N 1 0 290.323 1.372 20 5 CDBDRO C[C@]([NH3+])(C(=O)NC[C@H]1C=CCC1)c1cccc([N+](=O)[O-])c1 ZINC001332015775 957402030 /nfs/dbraw/zinc/40/20/30/957402030.db2.gz XZACHRXBEYMTNU-XHDPSFHLSA-N 1 0 289.335 1.851 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001333671281 958495202 /nfs/dbraw/zinc/49/52/02/958495202.db2.gz PZERBRPBUCGLDU-QWRGUYRKSA-N 1 0 279.344 1.249 20 5 CDBDRO CCN1CCC[C@@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335338485 959725306 /nfs/dbraw/zinc/72/53/06/959725306.db2.gz SSVGQGKHSQEOHD-HUUCEWRRSA-N 1 0 293.367 1.702 20 5 CDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001336410575 960338148 /nfs/dbraw/zinc/33/81/48/960338148.db2.gz LCIPFEBQYIMTAJ-AOOOYVTPSA-N 1 0 292.339 1.141 20 5 CDBDRO C[C@H](C[C@@H](C)[NH2+]CC[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC001338534272 961860365 /nfs/dbraw/zinc/86/03/65/961860365.db2.gz DYPXMVVOLLMPNA-NXEZZACHSA-N 1 0 275.349 1.545 20 5 CDBDRO Cc1cc(NC(=O)C(C)(C)C[NH3+])cc([N+](=O)[O-])c1 ZINC001342136241 963651084 /nfs/dbraw/zinc/65/10/84/963651084.db2.gz VXSJQLAOTBWYHA-UHFFFAOYSA-N 1 0 251.286 1.827 20 5 CDBDRO [NH3+]C1CC2(C1)CC(NC(=O)c1csc([N+](=O)[O-])c1)C2 ZINC001343442232 963987079 /nfs/dbraw/zinc/98/70/79/963987079.db2.gz QAEHWRYSKWAJEN-UHFFFAOYSA-N 1 0 281.337 1.656 20 5 CDBDRO CC(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001200472129 968289137 /nfs/dbraw/zinc/28/91/37/968289137.db2.gz NFFGBXUFDSKJIT-ZIAGYGMSSA-N 1 0 297.399 1.668 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCCC[NH2+]1 ZINC001355519405 969188527 /nfs/dbraw/zinc/18/85/27/969188527.db2.gz HDPMSODPFWVVDT-ZDUSSCGKSA-N 1 0 291.351 1.786 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001515671055 969911531 /nfs/dbraw/zinc/91/15/31/969911531.db2.gz XGSGXUBRBDNKKZ-SNVBAGLBSA-N 1 0 280.328 1.053 20 5 CDBDRO C[C@H](CC[NH+]1CCCC1)OC(=O)c1cc([N+](=O)[O-])cn1C ZINC001520418824 970183462 /nfs/dbraw/zinc/18/34/62/970183462.db2.gz XSDKBWOBOSFBGJ-LLVKDONJSA-N 1 0 295.339 1.965 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1C[NH+]2CCC1CC2 ZINC000091556103 1174297199 /nfs/dbraw/zinc/29/71/99/1174297199.db2.gz RQXVOCQEXRLYCC-NSHDSACASA-N 1 0 279.344 1.626 20 5 CDBDRO CC[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)[C@@H](CC)C[NH2+]1 ZINC001573721420 1170742397 /nfs/dbraw/zinc/74/23/97/1170742397.db2.gz DHSKFGUZUHBGPS-MNOVXSKESA-N 1 0 279.344 1.660 20 5 CDBDRO CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001577672193 1171717330 /nfs/dbraw/zinc/71/73/30/1171717330.db2.gz UWJBAWKDNAYVIT-OAHLLOKOSA-N 1 0 293.367 1.702 20 5 CDBDRO CC[NH2+][C@H](C)CNCCc1ccc([N+](=O)[O-])cc1 ZINC001577887076 1171758149 /nfs/dbraw/zinc/75/81/49/1171758149.db2.gz HGNUUBGJGQIOLD-LLVKDONJSA-N 1 0 251.330 1.725 20 5 CDBDRO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC000273976827 398136199 /nfs/dbraw/zinc/13/61/99/398136199.db2.gz PZYLEYFFJMPLTE-BDAKNGLRSA-N 1 0 263.301 1.422 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3cc[nH]c(=O)c3[N+](=O)[O-])C[C@@H]2C1 ZINC000601184157 342489172 /nfs/dbraw/zinc/48/91/72/342489172.db2.gz IHDPBIRZKUGSQC-ZJUUUORDSA-N 1 0 278.312 1.083 20 5 CDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1c([N+](=O)[O-])ncn1C ZINC000588085490 342492437 /nfs/dbraw/zinc/49/24/37/342492437.db2.gz LFPQBBJQDIMNKL-MNOVXSKESA-N 1 0 279.344 1.391 20 5 CDBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000601151366 342482612 /nfs/dbraw/zinc/48/26/12/342482612.db2.gz XULFXWLCTPNEOY-XVKPBYJWSA-N 1 0 278.230 1.996 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000590566607 342576031 /nfs/dbraw/zinc/57/60/31/342576031.db2.gz MLTZXQYXFPNXRE-KOLCDFICSA-N 1 0 292.339 1.342 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[C@@H](F)C1)OCCO2 ZINC000590658756 342581221 /nfs/dbraw/zinc/58/12/21/342581221.db2.gz VYDIXHNGFQBWND-SNVBAGLBSA-N 1 0 282.271 1.910 20 5 CDBDRO C[C@@H]1CN(c2cccnc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000590703664 342582541 /nfs/dbraw/zinc/58/25/41/342582541.db2.gz GUVNDNIZSMHZTQ-NSHDSACASA-N 1 0 276.340 1.910 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000237476525 342060347 /nfs/dbraw/zinc/06/03/47/342060347.db2.gz HNMIRPFJOCCJLS-MNOVXSKESA-N 1 0 293.323 1.312 20 5 CDBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000609143455 342092141 /nfs/dbraw/zinc/09/21/41/342092141.db2.gz LZVJZEVHKXNXDX-UHFFFAOYSA-N 1 0 294.355 1.347 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](C3CCC3)C2)c1 ZINC000591062201 342614855 /nfs/dbraw/zinc/61/48/55/342614855.db2.gz XJBLVFGHHGSXHB-OCCSQVGLSA-N 1 0 294.355 1.274 20 5 CDBDRO CC1([NH3+])CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000591348302 342626901 /nfs/dbraw/zinc/62/69/01/342626901.db2.gz OZKYEVPYEJSZKZ-UHFFFAOYSA-N 1 0 292.339 1.618 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH2+]C[C@](C)(F)C2)n1 ZINC000591442218 342632289 /nfs/dbraw/zinc/63/22/89/342632289.db2.gz WMJMZSMLXCUQCZ-LBPRGKRZSA-N 1 0 268.292 1.436 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N(C1CC1)C1CC[NH2+]CC1 ZINC000591681074 342641728 /nfs/dbraw/zinc/64/17/28/342641728.db2.gz PMTBQHKUBSSLIA-UHFFFAOYSA-N 1 0 289.335 1.951 20 5 CDBDRO CC[C@H](NC(=O)[C@@H](C[NH3+])OC)c1cccc([N+](=O)[O-])c1 ZINC000289835546 361836140 /nfs/dbraw/zinc/83/61/40/361836140.db2.gz DVISPQBFWXPYRG-NWDGAFQWSA-N 1 0 281.312 1.136 20 5 CDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000592243461 342681069 /nfs/dbraw/zinc/68/10/69/342681069.db2.gz JTHQNDDJTOHLQQ-RNCFNFMXSA-N 1 0 293.298 1.558 20 5 CDBDRO CC(C)c1ccc(C(=O)NC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000592333858 342685670 /nfs/dbraw/zinc/68/56/70/342685670.db2.gz VQAVLZREHSCFOG-VIFPVBQESA-N 1 0 265.313 1.795 20 5 CDBDRO CC(C)c1[nH]nc(-c2nc([C@@H]3CCC[NH2+]3)no2)c1[N+](=O)[O-] ZINC000592357096 342688436 /nfs/dbraw/zinc/68/84/36/342688436.db2.gz TXAWXUDNRNQIJO-ZETCQYMHSA-N 1 0 292.299 1.916 20 5 CDBDRO O=c1onc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CC[NH2+]C1 ZINC000592171066 342672061 /nfs/dbraw/zinc/67/20/61/342672061.db2.gz JXLJJNLFDBEFNC-VIFPVBQESA-N 1 0 290.279 1.021 20 5 CDBDRO CCCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CC[N@H+](C)C1 ZINC000592459254 342694179 /nfs/dbraw/zinc/69/41/79/342694179.db2.gz LLQPVQWZKIYWKC-SNVBAGLBSA-N 1 0 280.328 1.479 20 5 CDBDRO O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@@H](CO)CC1 ZINC000339756976 361875648 /nfs/dbraw/zinc/87/56/48/361875648.db2.gz ZNEKLQQFXBRFDW-LLVKDONJSA-N 1 0 280.324 1.895 20 5 CDBDRO CO[C@@H](C[NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000289886419 361880936 /nfs/dbraw/zinc/88/09/36/361880936.db2.gz ICEIFCKHOJKJKF-ZDUSSCGKSA-N 1 0 295.339 1.007 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@]2(O)CCCOC2)c(F)c1 ZINC000593687044 342822634 /nfs/dbraw/zinc/82/26/34/342822634.db2.gz BJYBMXUOXGNWAN-CQSZACIVSA-N 1 0 298.314 1.755 20 5 CDBDRO C[NH+]1CC2(C1)CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000619251652 349660204 /nfs/dbraw/zinc/66/02/04/349660204.db2.gz JIYAVPISOWTUDF-UHFFFAOYSA-N 1 0 289.335 1.301 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000418086455 529448506 /nfs/dbraw/zinc/44/85/06/529448506.db2.gz ZZUBGIHCQSLGKE-NSHDSACASA-N 1 0 280.328 1.440 20 5 CDBDRO COc1cc(C[NH2+][C@@H]2C[C@]2(C)OC)c([N+](=O)[O-])cc1O ZINC000594997034 342994925 /nfs/dbraw/zinc/99/49/25/342994925.db2.gz XIPGBHHASLTPKD-OLZOCXBDSA-N 1 0 282.296 1.576 20 5 CDBDRO CC[C@@H](O)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000595077797 343002872 /nfs/dbraw/zinc/00/28/72/343002872.db2.gz XDMNWVUKYGIQCG-GRYCIOLGSA-N 1 0 282.344 1.636 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1C[C@H](O)C1 ZINC000595105052 343004628 /nfs/dbraw/zinc/00/46/28/343004628.db2.gz WCWYUHVVXWUCFE-QXEWZRGKSA-N 1 0 266.297 1.777 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC(C)(C)[NH3+] ZINC000595229370 343009298 /nfs/dbraw/zinc/00/92/98/343009298.db2.gz VRBAUIKPPDMQDF-UHFFFAOYSA-N 1 0 296.327 1.804 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000595293951 343026253 /nfs/dbraw/zinc/02/62/53/343026253.db2.gz VKMMLYGRWCPWIE-GHMZBOCLSA-N 1 0 265.288 1.385 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@H]1CC[NH3+] ZINC000404303541 349770639 /nfs/dbraw/zinc/77/06/39/349770639.db2.gz BYNPSKQOFXTZNC-MNOVXSKESA-N 1 0 294.355 1.523 20 5 CDBDRO O=C1C[C@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CN1 ZINC000595351030 343046025 /nfs/dbraw/zinc/04/60/25/343046025.db2.gz DVZBZIYFCNPAHC-LBPRGKRZSA-N 1 0 289.335 1.695 20 5 CDBDRO Cc1noc(CN2CCC3(CCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC000595407472 343050478 /nfs/dbraw/zinc/05/04/78/343050478.db2.gz AZTNYKBQQCAWJC-UHFFFAOYSA-N 1 0 294.355 1.951 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+](CCCO)C2)nc1 ZINC000294980668 199282286 /nfs/dbraw/zinc/28/22/86/199282286.db2.gz PCXOMUPTHZAVPQ-LLVKDONJSA-N 1 0 280.328 1.249 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC1=CCSC1 ZINC000595887528 343181353 /nfs/dbraw/zinc/18/13/53/343181353.db2.gz DPOGFGAOXIYADK-UHFFFAOYSA-N 1 0 268.342 1.396 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000595929751 343183872 /nfs/dbraw/zinc/18/38/72/343183872.db2.gz YIUJPEKJAUCSNX-ZDUSSCGKSA-N 1 0 291.351 1.941 20 5 CDBDRO Cc1cccc(C(=O)N(C)CC(C)(C)[NH3+])c1[N+](=O)[O-] ZINC000595941984 343204152 /nfs/dbraw/zinc/20/41/52/343204152.db2.gz FGWJURXFBDATOV-UHFFFAOYSA-N 1 0 265.313 1.713 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000595981230 343210236 /nfs/dbraw/zinc/21/02/36/343210236.db2.gz BQQASSAAEYWGAK-SECBINFHSA-N 1 0 251.286 1.241 20 5 CDBDRO CC(C)[C@H]([NH3+])CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000595990627 343213076 /nfs/dbraw/zinc/21/30/76/343213076.db2.gz YZADONBMTIYNHZ-LLVKDONJSA-N 1 0 294.355 1.496 20 5 CDBDRO COc1ccc(CC(=O)N[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595993693 343213731 /nfs/dbraw/zinc/21/37/31/343213731.db2.gz ZXFNWXZBVRXMRN-AWEZNQCLSA-N 1 0 293.323 1.014 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596049146 343218520 /nfs/dbraw/zinc/21/85/20/343218520.db2.gz FAMUKJTYOIRETR-SECBINFHSA-N 1 0 266.301 1.592 20 5 CDBDRO O=c1[nH]ccc(N2CC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000596104643 343228031 /nfs/dbraw/zinc/22/80/31/343228031.db2.gz KCYGOSBJNMQMML-JTQLQIEISA-N 1 0 278.312 1.370 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596126807 343237277 /nfs/dbraw/zinc/23/72/77/343237277.db2.gz PYHBENMJHFRJFM-SECBINFHSA-N 1 0 266.301 1.083 20 5 CDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000081333373 342367150 /nfs/dbraw/zinc/36/71/50/342367150.db2.gz SLAPVIUAGSFJSD-NSHDSACASA-N 1 0 295.339 1.992 20 5 CDBDRO C[NH+](C)CC1CN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000596247182 343286714 /nfs/dbraw/zinc/28/67/14/343286714.db2.gz LYOLIAIRVXHUPP-UHFFFAOYSA-N 1 0 253.277 1.732 20 5 CDBDRO O=[N+]([O-])c1ccccc1N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000294988876 199287218 /nfs/dbraw/zinc/28/72/18/199287218.db2.gz QBTGYAURDHATTJ-GFCCVEGCSA-N 1 0 279.340 1.854 20 5 CDBDRO C[N@H+]1Cc2ccccc2[C@@H](Nc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596176118 343260867 /nfs/dbraw/zinc/26/08/67/343260867.db2.gz XMCGXQCOEQPHDB-ZDUSSCGKSA-N 1 0 299.334 1.593 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596248767 343273794 /nfs/dbraw/zinc/27/37/94/343273794.db2.gz YDPLMACYSDWIGO-SNVBAGLBSA-N 1 0 292.339 1.224 20 5 CDBDRO C[C@H]([NH2+]CCN1C(=O)CCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000089686142 342391477 /nfs/dbraw/zinc/39/14/77/342391477.db2.gz RGKUFVDLXRCFGN-JTQLQIEISA-N 1 0 291.307 1.394 20 5 CDBDRO Cc1ccc(C[N@@H+]2CC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000092763600 342418766 /nfs/dbraw/zinc/41/87/66/342418766.db2.gz FVXRYFOKWOTGEA-GFCCVEGCSA-N 1 0 250.298 1.717 20 5 CDBDRO COCCOCC[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000290138793 362204275 /nfs/dbraw/zinc/20/42/75/362204275.db2.gz KETZBCMATYYIPE-UHFFFAOYSA-N 1 0 282.340 1.998 20 5 CDBDRO CCc1n[nH]c(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c1[N+](=O)[O-] ZINC000597700551 343603379 /nfs/dbraw/zinc/60/33/79/343603379.db2.gz NJFHJCATRYCEBS-WPRPVWTQSA-N 1 0 295.343 1.045 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000597701611 343603859 /nfs/dbraw/zinc/60/38/59/343603859.db2.gz VFWDPUKIOYKCIY-KCJUWKMLSA-N 1 0 266.301 1.088 20 5 CDBDRO C[C@H](CCNC(=O)c1cccc([N+](=O)[O-])c1N)[NH+](C)C ZINC000597990991 343681776 /nfs/dbraw/zinc/68/17/76/343681776.db2.gz CCUPNQGCJPUMRP-SECBINFHSA-N 1 0 280.328 1.247 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@@H](C)[NH+](C)C ZINC000597991343 343681798 /nfs/dbraw/zinc/68/17/98/343681798.db2.gz DZTLOUZMIFUXCC-SNVBAGLBSA-N 1 0 295.339 1.673 20 5 CDBDRO COc1ccc(C(=O)N[C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000111828767 365797613 /nfs/dbraw/zinc/79/76/13/365797613.db2.gz XEBJZIODCJNRAB-LLVKDONJSA-N 1 0 295.339 1.707 20 5 CDBDRO Cc1c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000160976604 346975737 /nfs/dbraw/zinc/97/57/37/346975737.db2.gz NNMJQTHSWWWRNV-WDEREUQCSA-N 1 0 277.324 1.903 20 5 CDBDRO C[NH+]1CCN(CC2CN(c3sccc3[N+](=O)[O-])C2)CC1 ZINC000599097250 343953804 /nfs/dbraw/zinc/95/38/04/343953804.db2.gz BZSZBUPTTVTUEG-UHFFFAOYSA-N 1 0 296.396 1.340 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000599084445 343958142 /nfs/dbraw/zinc/95/81/42/343958142.db2.gz RPBZOPZAUMXAOV-GDNZZTSVSA-N 1 0 262.313 1.294 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000599140333 343960004 /nfs/dbraw/zinc/96/00/04/343960004.db2.gz UVARKVANFLVGRT-LBPRGKRZSA-N 1 0 278.356 1.864 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000194360384 362285354 /nfs/dbraw/zinc/28/53/54/362285354.db2.gz YVRBYPVGADRHLO-NSHDSACASA-N 1 0 266.297 1.430 20 5 CDBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C(N)=O ZINC000295828933 362321716 /nfs/dbraw/zinc/32/17/16/362321716.db2.gz YLKXIBONAPOSJQ-UHFFFAOYSA-N 1 0 295.339 1.559 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000612108274 347023423 /nfs/dbraw/zinc/02/34/23/347023423.db2.gz VHAQYTPGSCOXRN-YNEHKIRRSA-N 1 0 292.335 1.819 20 5 CDBDRO Cc1noc(CN(C)CC2(C)COC2)c1[N+](=O)[O-] ZINC000599573104 344090556 /nfs/dbraw/zinc/09/05/56/344090556.db2.gz MQMKBBGNAWNEHX-UHFFFAOYSA-N 1 0 255.274 1.360 20 5 CDBDRO C[C@@H]1CC(F)(F)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000599624123 344097802 /nfs/dbraw/zinc/09/78/02/344097802.db2.gz RHDVQRMWKBPUQS-SECBINFHSA-N 1 0 274.271 1.911 20 5 CDBDRO CC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)COC1 ZINC000602543944 344461517 /nfs/dbraw/zinc/46/15/17/344461517.db2.gz CTAJLQLQQVGIIT-UHFFFAOYSA-N 1 0 277.280 1.862 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCS[C@H](C)C1 ZINC000602771582 344576387 /nfs/dbraw/zinc/57/63/87/344576387.db2.gz FLQONYFDEXMJMR-SECBINFHSA-N 1 0 270.358 1.537 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000154641493 529985049 /nfs/dbraw/zinc/98/50/49/529985049.db2.gz OVMHIQZTVJQMSU-SECBINFHSA-N 1 0 281.312 1.189 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000602786257 344599748 /nfs/dbraw/zinc/59/97/48/344599748.db2.gz FENFKYUXPZLIRF-ZDUSSCGKSA-N 1 0 296.371 1.847 20 5 CDBDRO CC1(C)[C@H]([NH3+])C[C@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000603432409 344803709 /nfs/dbraw/zinc/80/37/09/344803709.db2.gz IFMGGUJGVBRMMV-VXGBXAGGSA-N 1 0 267.304 1.949 20 5 CDBDRO COc1ccc(C(=O)N[C@@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000127299087 187295104 /nfs/dbraw/zinc/29/51/04/187295104.db2.gz ZLZWYKGZZJLLTI-AWEZNQCLSA-N 1 0 293.323 1.461 20 5 CDBDRO Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000609493469 345049819 /nfs/dbraw/zinc/04/98/19/345049819.db2.gz YXBBEPYRVHCCMK-SNVBAGLBSA-N 1 0 263.297 1.793 20 5 CDBDRO C[C@@H](C(=O)N1CC([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000542649172 362571031 /nfs/dbraw/zinc/57/10/31/362571031.db2.gz ORLPWTZNEUTPCS-SECBINFHSA-N 1 0 295.314 1.610 20 5 CDBDRO CC(C)(C)[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000344213906 362555646 /nfs/dbraw/zinc/55/56/46/362555646.db2.gz OLQQFOZVYXZLSI-WCQYABFASA-N 1 0 296.371 1.520 20 5 CDBDRO CC[C@]1(C)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000344240983 362558122 /nfs/dbraw/zinc/55/81/22/362558122.db2.gz RMIFFORLEAJDCN-QWHCGFSZSA-N 1 0 282.344 1.274 20 5 CDBDRO CC(C)(CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[NH+]1CCCCC1 ZINC000052894701 345307598 /nfs/dbraw/zinc/30/75/98/345307598.db2.gz DZLJVGLARKAMTD-UHFFFAOYSA-N 1 0 294.355 1.917 20 5 CDBDRO CCN(CC[NH3+])Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000310668624 345583794 /nfs/dbraw/zinc/58/37/94/345583794.db2.gz DWKVOVHFUIHTBA-UHFFFAOYSA-N 1 0 253.302 1.384 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000617491691 345659376 /nfs/dbraw/zinc/65/93/76/345659376.db2.gz JKLPTFRTRIMAEC-NSHDSACASA-N 1 0 264.329 1.910 20 5 CDBDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000151095573 362622784 /nfs/dbraw/zinc/62/27/84/362622784.db2.gz IVTSIELWZTUFGI-ZWNOBZJWSA-N 1 0 277.324 1.866 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000609548863 345650716 /nfs/dbraw/zinc/65/07/16/345650716.db2.gz DIQLGXPUTWZIEK-CYBMUJFWSA-N 1 0 277.324 1.695 20 5 CDBDRO C[C@H](O)CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000617508296 345680878 /nfs/dbraw/zinc/68/08/78/345680878.db2.gz TVPOGKJETUHYTH-VIFPVBQESA-N 1 0 282.296 1.227 20 5 CDBDRO Cc1nc(N(C)CC[N@H+](C)C2CC2)ncc1[N+](=O)[O-] ZINC000295120069 199354875 /nfs/dbraw/zinc/35/48/75/199354875.db2.gz WQIZYBJUYJKQIA-UHFFFAOYSA-N 1 0 265.317 1.224 20 5 CDBDRO CC[NH+](CC)CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000049401786 345989367 /nfs/dbraw/zinc/98/93/67/345989367.db2.gz LRAPARDQRYRMBM-UHFFFAOYSA-N 1 0 265.313 1.553 20 5 CDBDRO CO[C@@]1(C[NH2+]CCc2ccccc2[N+](=O)[O-])CCOC1 ZINC000160360922 346000535 /nfs/dbraw/zinc/00/05/35/346000535.db2.gz XHGLSIGCEPGXMN-CQSZACIVSA-N 1 0 280.324 1.532 20 5 CDBDRO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000610506620 346297736 /nfs/dbraw/zinc/29/77/36/346297736.db2.gz GHOYUQOZPLAHSR-KGLIPLIRSA-N 1 0 289.335 1.490 20 5 CDBDRO CC[C@@H]([NH3+])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766542 346367809 /nfs/dbraw/zinc/36/78/09/346367809.db2.gz QNTLMENDYYIIBQ-GZMMTYOYSA-N 1 0 251.286 1.509 20 5 CDBDRO [NH3+]CCC1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000228393213 346540784 /nfs/dbraw/zinc/54/07/84/346540784.db2.gz FOUZSAWJHLFPSN-UHFFFAOYSA-N 1 0 291.351 1.725 20 5 CDBDRO C[C@@H]1CCC[C@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000230673894 346555194 /nfs/dbraw/zinc/55/51/94/346555194.db2.gz WYLJVSKMXKAACR-NTZNESFSSA-N 1 0 282.344 1.178 20 5 CDBDRO C[C@@H]1[C@H](C)N(c2nc3sccn3c2[N+](=O)[O-])CC[N@H+]1C ZINC000611299256 346741677 /nfs/dbraw/zinc/74/16/77/346741677.db2.gz ZFSAFCAQQWIGLO-BDAKNGLRSA-N 1 0 295.368 1.833 20 5 CDBDRO C[N@H+](CCCO)C1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611411973 346779404 /nfs/dbraw/zinc/77/94/04/346779404.db2.gz LIPZDSSUQPDXPE-UHFFFAOYSA-N 1 0 299.396 1.939 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000067703561 347555366 /nfs/dbraw/zinc/55/53/66/347555366.db2.gz RATSPBZLKWWDBM-LLVKDONJSA-N 1 0 275.308 1.561 20 5 CDBDRO CC(=O)N1CC[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000152932522 347635744 /nfs/dbraw/zinc/63/57/44/347635744.db2.gz SAROHXIYOHDFBZ-YVARQFDVSA-N 1 0 289.335 1.818 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000086467310 179297136 /nfs/dbraw/zinc/29/71/36/179297136.db2.gz BJDSNBBMQMHUGV-IDDPWSFUSA-N 1 0 289.335 1.817 20 5 CDBDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293676152 362916619 /nfs/dbraw/zinc/91/66/19/362916619.db2.gz JZXZOMKVOFNVOY-JLLWLGSASA-N 1 0 295.339 1.368 20 5 CDBDRO O=C(CC[N@H+]1CCC[C@@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000041886279 348712608 /nfs/dbraw/zinc/71/26/08/348712608.db2.gz ZTVRYGXKPYONBG-CYBMUJFWSA-N 1 0 293.323 1.380 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000089106910 179703119 /nfs/dbraw/zinc/70/31/19/179703119.db2.gz TUPWGFIQHIIRKR-OLZOCXBDSA-N 1 0 291.351 1.771 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000062503535 348915729 /nfs/dbraw/zinc/91/57/29/348915729.db2.gz VKYDGLKPAJKCKE-LLVKDONJSA-N 1 0 294.355 1.734 20 5 CDBDRO [NH3+]C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000036753456 362944907 /nfs/dbraw/zinc/94/49/07/362944907.db2.gz YFCDFUFTLWTGJD-UHFFFAOYSA-N 1 0 263.297 1.087 20 5 CDBDRO C[C@@H](c1ccccn1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000091701585 180230405 /nfs/dbraw/zinc/23/04/05/180230405.db2.gz DHADJEHLVDHEDY-NSHDSACASA-N 1 0 275.312 1.879 20 5 CDBDRO Cc1nc(N2C[C@@H](C)[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000123634507 351276806 /nfs/dbraw/zinc/27/68/06/351276806.db2.gz XBRVQFPSXBFDLJ-DTORHVGOSA-N 1 0 250.302 1.485 20 5 CDBDRO COc1cc(CNC[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1O ZINC000291664717 198055788 /nfs/dbraw/zinc/05/57/88/198055788.db2.gz FMUUWIFFEABQIH-SNVBAGLBSA-N 1 0 297.355 1.596 20 5 CDBDRO C[NH2+]CCC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000136477605 363111275 /nfs/dbraw/zinc/11/12/75/363111275.db2.gz AELBPDKKKNJTLE-UHFFFAOYSA-N 1 0 253.258 1.151 20 5 CDBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](C)CO ZINC000292284723 198230917 /nfs/dbraw/zinc/23/09/17/198230917.db2.gz SZZOAGAVTNTZMR-SECBINFHSA-N 1 0 256.277 1.937 20 5 CDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[NH2+]1 ZINC000155071207 188180382 /nfs/dbraw/zinc/18/03/82/188180382.db2.gz APCYSZBVDXSNKK-JTQLQIEISA-N 1 0 292.339 1.095 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000156669949 188275729 /nfs/dbraw/zinc/27/57/29/188275729.db2.gz LPHXZBVUTITADD-JTQLQIEISA-N 1 0 279.296 1.037 20 5 CDBDRO COc1cc(C(=O)N2CCCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000156689642 188276816 /nfs/dbraw/zinc/27/68/16/188276816.db2.gz JYCIAEKUHQODLJ-NSHDSACASA-N 1 0 293.323 1.557 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000156706275 188277353 /nfs/dbraw/zinc/27/73/53/188277353.db2.gz YTCNWRZSYBTSGG-JTQLQIEISA-N 1 0 293.323 1.285 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000157132954 188299191 /nfs/dbraw/zinc/29/91/91/188299191.db2.gz LTHNZZFDBDCZDB-LLVKDONJSA-N 1 0 296.283 1.216 20 5 CDBDRO [NH3+]C[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000164659991 363334575 /nfs/dbraw/zinc/33/45/75/363334575.db2.gz RSMGIJZXYSQYMC-NSHDSACASA-N 1 0 285.731 1.408 20 5 CDBDRO CN1CCC[C@@H]([N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000558740195 356043107 /nfs/dbraw/zinc/04/31/07/356043107.db2.gz BAGSVXHFNNQSHZ-CQSZACIVSA-N 1 0 291.351 1.690 20 5 CDBDRO COc1ccc(C[NH2+][C@@](C)(C(N)=O)C(C)C)cc1[N+](=O)[O-] ZINC000336846842 356375002 /nfs/dbraw/zinc/37/50/02/356375002.db2.gz ROXOAHIVEUOTSC-CQSZACIVSA-N 1 0 295.339 1.593 20 5 CDBDRO CCC[NH+]1CCC(N(C)c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273627267 192236834 /nfs/dbraw/zinc/23/68/34/192236834.db2.gz PPXNKMBWOCBOKQ-UHFFFAOYSA-N 1 0 279.344 1.695 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)n1 ZINC000246960814 356554755 /nfs/dbraw/zinc/55/47/55/356554755.db2.gz XLQADRPXJKQTQO-RYUDHWBXSA-N 1 0 280.328 1.292 20 5 CDBDRO CO[C@]1(C)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000366473032 363547706 /nfs/dbraw/zinc/54/77/06/363547706.db2.gz VWDZACVPIKUQHC-CYBMUJFWSA-N 1 0 282.344 1.682 20 5 CDBDRO Cc1cnc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1C ZINC000341053388 366313889 /nfs/dbraw/zinc/31/38/89/366313889.db2.gz UKGYOJHKIOPKOY-UHFFFAOYSA-N 1 0 274.324 1.969 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[C@@H]1[NH3+] ZINC000094339236 366341889 /nfs/dbraw/zinc/34/18/89/366341889.db2.gz CKICDDRJYHBVOM-YUMQZZPRSA-N 1 0 269.326 1.466 20 5 CDBDRO C[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094339220 366374335 /nfs/dbraw/zinc/37/43/35/366374335.db2.gz CCFZKFNAMNNYNF-XTYWZOAOSA-N 1 0 289.335 1.804 20 5 CDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000287394784 358512033 /nfs/dbraw/zinc/51/20/33/358512033.db2.gz YORQJWBPPHZRNF-GHMZBOCLSA-N 1 0 293.323 1.887 20 5 CDBDRO C[NH+](C)CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000041465296 357036961 /nfs/dbraw/zinc/03/69/61/357036961.db2.gz XUSMFWRXSNAGIK-UHFFFAOYSA-N 1 0 289.133 1.726 20 5 CDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000237060031 363577684 /nfs/dbraw/zinc/57/76/84/363577684.db2.gz PWCCNJCOBSYSTG-LBPRGKRZSA-N 1 0 292.339 1.128 20 5 CDBDRO Cc1c(C[NH+]2CCC(CC(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000048024637 357171204 /nfs/dbraw/zinc/17/12/04/357171204.db2.gz KBZCYCHWFUOUON-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO [NH3+]CC1(CC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000566088855 357239568 /nfs/dbraw/zinc/23/95/68/357239568.db2.gz CEKGNLVSSRUTMX-UHFFFAOYSA-N 1 0 293.323 1.219 20 5 CDBDRO Cc1c(C[NH2+]C[C@H](C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000566123828 357422658 /nfs/dbraw/zinc/42/26/58/357422658.db2.gz PNFFBOMMVUHAGQ-VIFPVBQESA-N 1 0 286.353 1.426 20 5 CDBDRO C[C@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000062855994 357499406 /nfs/dbraw/zinc/49/94/06/357499406.db2.gz YEIKVDAQSQOHSZ-AWEZNQCLSA-N 1 0 277.324 1.601 20 5 CDBDRO CCc1n[nH]c(C(=O)NC(C)(C)c2ncc[nH]2)c1[N+](=O)[O-] ZINC000566364204 357492409 /nfs/dbraw/zinc/49/24/09/357492409.db2.gz IVFVHDUHWMTIBH-UHFFFAOYSA-N 1 0 292.299 1.269 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000186837677 357697888 /nfs/dbraw/zinc/69/78/88/357697888.db2.gz NEJMAODOMMWKIV-GHMZBOCLSA-N 1 0 293.323 1.088 20 5 CDBDRO Cc1cc(C(=O)N2CCC([NH3+])CC2)cc([N+](=O)[O-])c1 ZINC000135211007 357769697 /nfs/dbraw/zinc/76/96/97/357769697.db2.gz UDGXBVVSRQALSY-UHFFFAOYSA-N 1 0 263.297 1.467 20 5 CDBDRO COC(=O)[C@H]1C[C@@H](O)CN1Cc1ccc([N+](=O)[O-])cc1C ZINC000187569831 357779987 /nfs/dbraw/zinc/77/99/87/357779987.db2.gz XDOQBDNKRZUOLX-CHWSQXEVSA-N 1 0 294.307 1.011 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000135213969 357782849 /nfs/dbraw/zinc/78/28/49/357782849.db2.gz JEYHYQQXBKILLO-SECBINFHSA-N 1 0 267.260 1.168 20 5 CDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N[C@H]1CC[NH2+]C1 ZINC000210561815 357833780 /nfs/dbraw/zinc/83/37/80/357833780.db2.gz NUHTYWYWHAGDPM-WYGGZMRJSA-N 1 0 261.281 1.086 20 5 CDBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000193611797 358308747 /nfs/dbraw/zinc/30/87/47/358308747.db2.gz UQSPCHOZSBEYAS-PELKAZGASA-N 1 0 297.742 1.862 20 5 CDBDRO Cc1c(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000193632132 358310331 /nfs/dbraw/zinc/31/03/31/358310331.db2.gz AYHCSWMFXMSSFU-RNCFNFMXSA-N 1 0 277.324 1.517 20 5 CDBDRO Cc1ccc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)cc1[N+](=O)[O-] ZINC000193680888 358315163 /nfs/dbraw/zinc/31/51/63/358315163.db2.gz URADRWWIXUUVEZ-ZWNOBZJWSA-N 1 0 277.324 1.517 20 5 CDBDRO COC[C@H](CCO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000223970060 358390778 /nfs/dbraw/zinc/39/07/78/358390778.db2.gz HDCJIHGMMHGRME-JQWIXIFHSA-N 1 0 268.313 1.643 20 5 CDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1csc([N+](=O)[O-])c1 ZINC000366503526 363611523 /nfs/dbraw/zinc/61/15/23/363611523.db2.gz GCOPDZPSIWIJSW-YUMQZZPRSA-N 1 0 273.289 1.086 20 5 CDBDRO CC(C)[C@@H](CO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000342194081 358960013 /nfs/dbraw/zinc/96/00/13/358960013.db2.gz DUXWREZNRLBMIF-GFCCVEGCSA-N 1 0 252.314 1.949 20 5 CDBDRO Cc1c(C(=O)NC[C@H]2CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000104189545 358950352 /nfs/dbraw/zinc/95/03/52/358950352.db2.gz LUKLDAIVPDNMJU-LLVKDONJSA-N 1 0 277.324 1.585 20 5 CDBDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000219037334 359020731 /nfs/dbraw/zinc/02/07/31/359020731.db2.gz WHYOKEJWBPGPBJ-IONNQARKSA-N 1 0 276.383 1.858 20 5 CDBDRO CC1(C)C[C@H](O)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000451804162 359082132 /nfs/dbraw/zinc/08/21/32/359082132.db2.gz RUIIUTJVZCYYQP-LLVKDONJSA-N 1 0 282.344 1.274 20 5 CDBDRO C[NH+](C)CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286991040 359175747 /nfs/dbraw/zinc/17/57/47/359175747.db2.gz OKOOXHHDYMDFQT-UHFFFAOYSA-N 1 0 267.314 1.573 20 5 CDBDRO COC1CCC([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355335984 359378736 /nfs/dbraw/zinc/37/87/36/359378736.db2.gz CREUYWUGSMZPJZ-UHFFFAOYSA-N 1 0 282.344 1.718 20 5 CDBDRO CC(C)[C@@]1(CO)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000339702957 359430586 /nfs/dbraw/zinc/43/05/86/359430586.db2.gz UWCZTBPRCIAZMF-AWEZNQCLSA-N 1 0 296.371 1.522 20 5 CDBDRO Cc1nn(CCC(=O)N[C@H](C)C[C@@H](C)[NH3+])c(C)c1[N+](=O)[O-] ZINC000571524825 359582521 /nfs/dbraw/zinc/58/25/21/359582521.db2.gz DMYYGLPKXJGEJK-RKDXNWHRSA-N 1 0 297.359 1.040 20 5 CDBDRO CC[NH2+]CCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000054263263 360065192 /nfs/dbraw/zinc/06/51/92/360065192.db2.gz GNTHCOJDCQUJGL-UHFFFAOYSA-N 1 0 251.286 1.243 20 5 CDBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000110646439 296015997 /nfs/dbraw/zinc/01/59/97/296015997.db2.gz UTBPSYUIUKHGPV-SNVBAGLBSA-N 1 0 277.324 1.794 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000262700123 360455058 /nfs/dbraw/zinc/45/50/58/360455058.db2.gz AOYIJPARXKERGN-KOLCDFICSA-N 1 0 263.297 1.323 20 5 CDBDRO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000178772492 189144741 /nfs/dbraw/zinc/14/47/41/189144741.db2.gz JNFXBVMXASGKBA-SNVBAGLBSA-N 1 0 293.323 1.162 20 5 CDBDRO CC1(C)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000544698400 360800025 /nfs/dbraw/zinc/80/00/25/360800025.db2.gz UUZNBXGJMBXLRA-GFCCVEGCSA-N 1 0 280.324 1.819 20 5 CDBDRO C[C@@H]([NH2+]CCCOCCO)c1cccc([N+](=O)[O-])c1 ZINC000180241777 189245604 /nfs/dbraw/zinc/24/56/04/189245604.db2.gz GKSLROWJIOPBHN-LLVKDONJSA-N 1 0 268.313 1.644 20 5 CDBDRO CCOCCNC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180430685 189254855 /nfs/dbraw/zinc/25/48/55/189254855.db2.gz YQDILNQUVVMLCE-NSHDSACASA-N 1 0 295.339 1.398 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000053202057 361203924 /nfs/dbraw/zinc/20/39/24/361203924.db2.gz HVEJMUNIDLJGRW-LBPRGKRZSA-N 1 0 277.324 1.727 20 5 CDBDRO COC[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000181566173 189301110 /nfs/dbraw/zinc/30/11/10/189301110.db2.gz WBDVDDILGXEQPN-GFCCVEGCSA-N 1 0 280.324 1.988 20 5 CDBDRO CC[N@H+](C)C[C@H]1CCN(c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000301421800 201003849 /nfs/dbraw/zinc/00/38/49/201003849.db2.gz FHPXNMJZCVJART-LLVKDONJSA-N 1 0 281.360 1.415 20 5 CDBDRO CCC[N@H+](CCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182174514 189316191 /nfs/dbraw/zinc/31/61/91/189316191.db2.gz CWULIJMBTJYFLP-GFCCVEGCSA-N 1 0 298.339 1.039 20 5 CDBDRO Cc1sc(C(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000185099798 189403620 /nfs/dbraw/zinc/40/36/20/189403620.db2.gz YLPWPIPJPAOOSJ-OPRDCNLKSA-N 1 0 295.364 1.774 20 5 CDBDRO O=[N+]([O-])c1cnc(NCC[N@@H+]2CCc3ccccc3C2)nc1 ZINC000273180017 239048578 /nfs/dbraw/zinc/04/85/78/239048578.db2.gz OCWSAFPFBDXPNQ-UHFFFAOYSA-N 1 0 299.334 1.855 20 5 CDBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(N)c1F)C[NH+](C)C ZINC000291685091 239223719 /nfs/dbraw/zinc/22/37/19/239223719.db2.gz FPQKLFPZJXNHBU-MRVPVSSYSA-N 1 0 270.308 1.926 20 5 CDBDRO CC(=O)N1CC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000575329492 364007323 /nfs/dbraw/zinc/00/73/23/364007323.db2.gz IQVFAHDPQWWRGC-CYBMUJFWSA-N 1 0 275.308 1.402 20 5 CDBDRO Cc1c(CC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC000237440168 363963810 /nfs/dbraw/zinc/96/38/10/363963810.db2.gz FRZNGFPPCFDMPY-GHMZBOCLSA-N 1 0 291.351 1.655 20 5 CDBDRO COc1ccc(C[N@@H+]2CCC[C@@]2(C)CO)cc1[N+](=O)[O-] ZINC000545398178 364071620 /nfs/dbraw/zinc/07/16/20/364071620.db2.gz BDABOTMIAVZJEQ-AWEZNQCLSA-N 1 0 280.324 1.950 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000088147701 364264740 /nfs/dbraw/zinc/26/47/40/364264740.db2.gz CMVDPEYDRBJCEW-SNVBAGLBSA-N 1 0 263.297 1.324 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000034994441 364501527 /nfs/dbraw/zinc/50/15/27/364501527.db2.gz AWJQUYLPCHQJEA-LLVKDONJSA-N 1 0 284.337 1.180 20 5 CDBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000573118247 365187707 /nfs/dbraw/zinc/18/77/07/365187707.db2.gz SHXHDAUIMQHTFN-LLVKDONJSA-N 1 0 296.327 1.141 20 5 CDBDRO CCOC(=O)[C@H](C)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000353592000 365321647 /nfs/dbraw/zinc/32/16/47/365321647.db2.gz ZANXRBJHFOLIKM-JTQLQIEISA-N 1 0 266.297 1.978 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](COC)OC ZINC000272695613 365354477 /nfs/dbraw/zinc/35/44/77/365354477.db2.gz QQKUJQNESCXOBU-CYBMUJFWSA-N 1 0 298.339 1.745 20 5 CDBDRO CC(C)C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075833763 366890470 /nfs/dbraw/zinc/89/04/70/366890470.db2.gz LGDCNYLJQGTKJG-CQSZACIVSA-N 1 0 296.371 1.520 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000414664625 241309973 /nfs/dbraw/zinc/30/99/73/241309973.db2.gz TWOLJJQGPKBKQI-LLVKDONJSA-N 1 0 292.339 1.976 20 5 CDBDRO Cc1c(NC(=O)N(C)CC[NH3+])cccc1[N+](=O)[O-] ZINC000414718826 241350514 /nfs/dbraw/zinc/35/05/14/241350514.db2.gz ZSJYVRVFAXMFQD-UHFFFAOYSA-N 1 0 252.274 1.326 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000415502715 241706703 /nfs/dbraw/zinc/70/67/03/241706703.db2.gz NPFFSPXVRQVBRI-NSHDSACASA-N 1 0 294.311 1.013 20 5 CDBDRO C[C@@H](NC(=O)NCC1([NH3+])CCC1)c1cccc([N+](=O)[O-])c1 ZINC000417126462 242329943 /nfs/dbraw/zinc/32/99/43/242329943.db2.gz DMAFBWLSZYQMAH-SNVBAGLBSA-N 1 0 292.339 1.836 20 5 CDBDRO C[C@H](NC(=O)N[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000417145749 242335482 /nfs/dbraw/zinc/33/54/82/242335482.db2.gz XLPGQOLSOVIGTA-CMPLNLGQSA-N 1 0 292.339 1.707 20 5 CDBDRO C[C@@H](NC(=O)NCCCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417145185 242336229 /nfs/dbraw/zinc/33/62/29/242336229.db2.gz WMJNPTJJIXVPHK-SNVBAGLBSA-N 1 0 280.328 1.694 20 5 CDBDRO CC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C[C@@H](C)O ZINC000348710275 367697538 /nfs/dbraw/zinc/69/75/38/367697538.db2.gz OIONMODJAPMKTF-SNVBAGLBSA-N 1 0 298.339 1.815 20 5 CDBDRO CCC[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000123602429 367720213 /nfs/dbraw/zinc/72/02/13/367720213.db2.gz OVZVMTACESLWDA-UHFFFAOYSA-N 1 0 295.295 1.604 20 5 CDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CCC[NH2+]C1 ZINC000417759474 242652182 /nfs/dbraw/zinc/65/21/82/242652182.db2.gz DUYUZJCVKPJRDQ-LBPRGKRZSA-N 1 0 292.339 1.189 20 5 CDBDRO C[C@H](NC(=O)N[C@@H](C[NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000418225958 242793080 /nfs/dbraw/zinc/79/30/80/242793080.db2.gz AKGYHUHAIJFRFL-ZANVPECISA-N 1 0 292.339 1.692 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000418239143 242815918 /nfs/dbraw/zinc/81/59/18/242815918.db2.gz YNAKMWQEXLRRNA-JQWIXIFHSA-N 1 0 292.339 1.659 20 5 CDBDRO COc1ccc(NC(=O)NC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000272785916 368157736 /nfs/dbraw/zinc/15/77/36/368157736.db2.gz FQSBCALCLFZDTH-SECBINFHSA-N 1 0 296.327 1.675 20 5 CDBDRO C[NH2+]CCCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418280577 242886877 /nfs/dbraw/zinc/88/68/77/242886877.db2.gz BBYSVEQEXVFJLY-UHFFFAOYSA-N 1 0 292.339 1.272 20 5 CDBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1ccccc1[N+](=O)[O-] ZINC000368647858 284019339 /nfs/dbraw/zinc/01/93/39/284019339.db2.gz OSVHDOSJYCFPDC-GFCCVEGCSA-N 1 0 275.308 1.467 20 5 CDBDRO C[NH+](C)C1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000330557783 202969039 /nfs/dbraw/zinc/96/90/39/202969039.db2.gz HSMCUPLAIMZJBN-UHFFFAOYSA-N 1 0 291.351 1.690 20 5 CDBDRO [NH3+]CCCCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000420239773 243965410 /nfs/dbraw/zinc/96/54/10/243965410.db2.gz TXPSVQNVESIAEL-UHFFFAOYSA-N 1 0 260.297 1.716 20 5 CDBDRO COc1ccc(OCCN2C[C@@H](C)[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420381592 244179126 /nfs/dbraw/zinc/17/91/26/244179126.db2.gz RULFFCGECYYUEI-ZYHUDNBSSA-N 1 0 295.339 1.261 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000420382716 244179800 /nfs/dbraw/zinc/17/98/00/244179800.db2.gz ZYCRCCMGEYHTSG-XUJVJEKNSA-N 1 0 293.367 1.950 20 5 CDBDRO C[NH+](C)C[C@@](C)(O)CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000227934427 189789366 /nfs/dbraw/zinc/78/93/66/189789366.db2.gz VKSSPPSVHAPHKA-LBPRGKRZSA-N 1 0 287.747 1.973 20 5 CDBDRO CCN(CCC[NH+](C)C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000276186049 193236742 /nfs/dbraw/zinc/23/67/42/193236742.db2.gz HYBYUOUIDDOXGI-UHFFFAOYSA-N 1 0 293.367 1.938 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000330906797 203377975 /nfs/dbraw/zinc/37/79/75/203377975.db2.gz NOGQNNIYBHVNRB-PWSUYJOCSA-N 1 0 277.324 1.807 20 5 CDBDRO CCN(CCC[NH+](C)C)c1c([N+](=O)[O-])ncn1C ZINC000276228503 193250314 /nfs/dbraw/zinc/25/03/14/193250314.db2.gz OEZLIJCRHQDDCE-UHFFFAOYSA-N 1 0 255.322 1.106 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000351865645 370447106 /nfs/dbraw/zinc/44/71/06/370447106.db2.gz ODEPWRMEOUVQMW-UWVGGRQHSA-N 1 0 290.323 1.905 20 5 CDBDRO CCn1nc(C)c(C[NH2+]CCc2ccccc2[N+](=O)[O-])n1 ZINC000295664127 370550854 /nfs/dbraw/zinc/55/08/54/370550854.db2.gz JOBHCCFGQCOFGF-UHFFFAOYSA-N 1 0 289.339 1.847 20 5 CDBDRO NCC(F)(F)CNCc1csc([N+](=O)[O-])c1 ZINC000414926934 371107586 /nfs/dbraw/zinc/10/75/86/371107586.db2.gz KDRIBHFSPWINND-UHFFFAOYSA-N 1 0 251.258 1.340 20 5 CDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@](C)(C[NH3+])CC(C)C)n1 ZINC000422852686 245334556 /nfs/dbraw/zinc/33/45/56/245334556.db2.gz RBGGLPGQESLCDG-CYBMUJFWSA-N 1 0 297.359 1.305 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000422883367 245368798 /nfs/dbraw/zinc/36/87/98/245368798.db2.gz UYEFENNJNPSIDK-UHFFFAOYSA-N 1 0 295.339 1.851 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000295413154 371263170 /nfs/dbraw/zinc/26/31/70/371263170.db2.gz SNDUYKGLZQJIFW-GWCFXTLKSA-N 1 0 277.324 1.866 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000237603083 371842485 /nfs/dbraw/zinc/84/24/85/371842485.db2.gz IMVKDCRMHOXDKD-SNVBAGLBSA-N 1 0 265.313 1.333 20 5 CDBDRO C[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)C1=CC[N@H+](C)CC1 ZINC000272900850 372329236 /nfs/dbraw/zinc/32/92/36/372329236.db2.gz ISEULIHUKDVDJG-QMMMGPOBSA-N 1 0 278.316 1.029 20 5 CDBDRO CC(C)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272911464 372341460 /nfs/dbraw/zinc/34/14/60/372341460.db2.gz GPNNNNLNMITZIM-UHFFFAOYSA-N 1 0 286.353 1.614 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000441592422 373383740 /nfs/dbraw/zinc/38/37/40/373383740.db2.gz AQRGTTFYVAQHCE-SNVBAGLBSA-N 1 0 279.340 1.583 20 5 CDBDRO COc1cc(N2CC([NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000273294317 373748509 /nfs/dbraw/zinc/74/85/09/373748509.db2.gz KXWGCMRBLBMPSJ-UHFFFAOYSA-N 1 0 269.276 1.493 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000423539841 245899020 /nfs/dbraw/zinc/89/90/20/245899020.db2.gz CCMPOUFPXGFKQS-ZANVPECISA-N 1 0 291.351 1.939 20 5 CDBDRO COc1cc(N[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000168995930 373852396 /nfs/dbraw/zinc/85/23/96/373852396.db2.gz CFGZJFJFZAEBIJ-VIFPVBQESA-N 1 0 253.302 1.965 20 5 CDBDRO C[C@@H]1C[N@@H+](CCCNc2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000253602343 373937631 /nfs/dbraw/zinc/93/76/31/373937631.db2.gz ACTFHCOOOFBNNC-TXEJJXNPSA-N 1 0 294.355 1.901 20 5 CDBDRO COc1ccc(C[NH2+]C[C@H](C)CO)cc1[N+](=O)[O-] ZINC000113310321 374249765 /nfs/dbraw/zinc/24/97/65/374249765.db2.gz GTRQTLJYCWNNCC-VIFPVBQESA-N 1 0 254.286 1.321 20 5 CDBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000161583883 374275973 /nfs/dbraw/zinc/27/59/73/374275973.db2.gz NZBNIQPXNSKFOU-LLVKDONJSA-N 1 0 295.339 1.896 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000114399966 374311503 /nfs/dbraw/zinc/31/15/03/374311503.db2.gz GOAWIKWAXDPGLY-SNVBAGLBSA-N 1 0 292.339 1.201 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422848600 374362764 /nfs/dbraw/zinc/36/27/64/374362764.db2.gz AXSANBPOWXQGPX-PSASIEDQSA-N 1 0 278.312 1.034 20 5 CDBDRO CC[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000423445110 374381160 /nfs/dbraw/zinc/38/11/60/374381160.db2.gz XKVPKAODGHLTQX-RFQIPJPRSA-N 1 0 261.325 1.853 20 5 CDBDRO Cc1c(CC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000423477403 374382977 /nfs/dbraw/zinc/38/29/77/374382977.db2.gz TYWGZPPQNSUGEL-ZYHUDNBSSA-N 1 0 291.351 1.641 20 5 CDBDRO C[C@H](NC[C@@H]1C[NH2+]CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423506509 374386688 /nfs/dbraw/zinc/38/66/88/374386688.db2.gz HATZEQORPVVGGR-FZMZJTMJSA-N 1 0 279.340 1.624 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423851945 246144707 /nfs/dbraw/zinc/14/47/07/246144707.db2.gz SOYWYHXEBSWZHG-QMMMGPOBSA-N 1 0 285.731 1.720 20 5 CDBDRO CCC[C@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423856140 246151550 /nfs/dbraw/zinc/15/15/50/246151550.db2.gz XLKWWJJZPLQLEJ-NSHDSACASA-N 1 0 285.731 1.992 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1C[NH3+] ZINC000424028701 246297429 /nfs/dbraw/zinc/29/74/29/246297429.db2.gz YXTSCGXBGSDXEH-NXEZZACHSA-N 1 0 292.339 1.234 20 5 CDBDRO Cc1nn(CCC(=O)NC(C)(C)CC[NH3+])c(C)c1[N+](=O)[O-] ZINC000424048231 246306951 /nfs/dbraw/zinc/30/69/51/246306951.db2.gz QEJVNJFLMBRRQT-UHFFFAOYSA-N 1 0 297.359 1.042 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCO ZINC000299229303 374583162 /nfs/dbraw/zinc/58/31/62/374583162.db2.gz PHIHOWYARZOPLL-UHFFFAOYSA-N 1 0 281.312 1.156 20 5 CDBDRO CC1(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)COC1 ZINC000446739348 374687692 /nfs/dbraw/zinc/68/76/92/374687692.db2.gz TVECKMFFZJXYSS-UHFFFAOYSA-N 1 0 262.309 1.989 20 5 CDBDRO Cc1c(C[NH2+][C@H](CO)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000447920943 374722165 /nfs/dbraw/zinc/72/21/65/374722165.db2.gz YQEQATHKKNNJQC-TZMCWYRMSA-N 1 0 280.324 1.533 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000449341254 374802241 /nfs/dbraw/zinc/80/22/41/374802241.db2.gz SNMHBGBVXRTLLG-BNOWGMLFSA-N 1 0 294.351 1.655 20 5 CDBDRO C[C@H](CO)[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CCCC1 ZINC000347244115 374779521 /nfs/dbraw/zinc/77/95/21/374779521.db2.gz ZCPXFDSFLLDXCH-SNVBAGLBSA-N 1 0 282.344 1.454 20 5 CDBDRO CS[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000331333378 374931320 /nfs/dbraw/zinc/93/13/20/374931320.db2.gz PKTWMXZQLYFNAW-SNVBAGLBSA-N 1 0 256.331 1.229 20 5 CDBDRO CC[NH+]1C[C@@H](C)N(Cc2c([N+](=O)[O-])ncn2C)[C@H](C)C1 ZINC000331338849 374934310 /nfs/dbraw/zinc/93/43/10/374934310.db2.gz JNMKXOSHURGFOH-GHMZBOCLSA-N 1 0 281.360 1.243 20 5 CDBDRO CS(=O)(=O)C1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000279671200 374944952 /nfs/dbraw/zinc/94/49/52/374944952.db2.gz HSRJKHNCGRUBTL-UHFFFAOYSA-N 1 0 298.364 1.652 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)cs1 ZINC000280382607 374995114 /nfs/dbraw/zinc/99/51/14/374995114.db2.gz VVTYFQMVCPUXEO-GHMZBOCLSA-N 1 0 286.353 1.391 20 5 CDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280810618 375024567 /nfs/dbraw/zinc/02/45/67/375024567.db2.gz LYGCQEGFHKBKFQ-IUODEOHRSA-N 1 0 289.335 1.601 20 5 CDBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1CO ZINC000282583815 375095062 /nfs/dbraw/zinc/09/50/62/375095062.db2.gz WGBNXMNSGMBOOO-RNCFNFMXSA-N 1 0 268.288 1.937 20 5 CDBDRO CC[N@H+](C)C[C@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000332715704 375047438 /nfs/dbraw/zinc/04/74/38/375047438.db2.gz PXABQXXSFYCKDK-LLVKDONJSA-N 1 0 281.360 1.102 20 5 CDBDRO C[C@@H]([NH2+]Cc1cnn(C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284184758 375131928 /nfs/dbraw/zinc/13/19/28/375131928.db2.gz RDYBILKSXVAPSG-SECBINFHSA-N 1 0 275.312 1.761 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000161970128 375244984 /nfs/dbraw/zinc/24/49/84/375244984.db2.gz PQTIHOKFESWXIL-VXGBXAGGSA-N 1 0 277.324 1.523 20 5 CDBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000344724277 375291238 /nfs/dbraw/zinc/29/12/38/375291238.db2.gz QRSIBJCAPUNNSG-SNVBAGLBSA-N 1 0 295.343 1.168 20 5 CDBDRO C[N@@H+]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000352136898 375355625 /nfs/dbraw/zinc/35/56/25/375355625.db2.gz FGOZAVCLEJBGKB-UHFFFAOYSA-N 1 0 289.339 1.609 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000131842821 375361684 /nfs/dbraw/zinc/36/16/84/375361684.db2.gz PCIQZZXZPIOMES-NXEZZACHSA-N 1 0 263.297 1.404 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H](CO)C1 ZINC000304436994 375448296 /nfs/dbraw/zinc/44/82/96/375448296.db2.gz TWWOFOXLLVAHSB-LLVKDONJSA-N 1 0 293.323 1.156 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)N(C)C ZINC000344834611 375540824 /nfs/dbraw/zinc/54/08/24/375540824.db2.gz FPULJHFXNJVFBS-XFFZJAGNSA-N 1 0 277.324 1.676 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CC(N)=O ZINC000344842176 375565010 /nfs/dbraw/zinc/56/50/10/375565010.db2.gz VNXDSLURNSZILA-VIFPVBQESA-N 1 0 281.312 1.347 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCO ZINC000347336610 375573591 /nfs/dbraw/zinc/57/35/91/375573591.db2.gz BDJPAWBIDOODPY-DHZHZOJOSA-N 1 0 250.298 1.922 20 5 CDBDRO Cc1c([N+](=O)[O-])ccc(=O)n1Cc1nccn1C(F)F ZINC000294126550 375698590 /nfs/dbraw/zinc/69/85/90/375698590.db2.gz FCOMXGBGSULHGD-UHFFFAOYSA-N 1 0 284.222 1.705 20 5 CDBDRO COc1c(C(=O)NCC[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000355134470 375777935 /nfs/dbraw/zinc/77/79/35/375777935.db2.gz OXLLRIBEBKVFNR-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO CN(c1ccc(F)cc1[N+](=O)[O-])C1CC[NH+](CCO)CC1 ZINC000357615033 375922486 /nfs/dbraw/zinc/92/24/86/375922486.db2.gz RSNXOBSMCXZROU-UHFFFAOYSA-N 1 0 297.330 1.627 20 5 CDBDRO CC[NH+]1CCN([C@@H](C)CNc2ncccc2[N+](=O)[O-])CC1 ZINC000059389343 375932828 /nfs/dbraw/zinc/93/28/28/375932828.db2.gz XQPBHWYOPPMMJD-LBPRGKRZSA-N 1 0 293.371 1.428 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000261643495 190041967 /nfs/dbraw/zinc/04/19/67/190041967.db2.gz DMCLXGNAJOQXQJ-SNVBAGLBSA-N 1 0 280.328 1.121 20 5 CDBDRO O=C(CC[C@H]1CCC[NH2+]1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000261711197 190042957 /nfs/dbraw/zinc/04/29/57/190042957.db2.gz PFHUAUREPPPFGR-CYBMUJFWSA-N 1 0 291.351 1.786 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261897685 190045919 /nfs/dbraw/zinc/04/59/19/190045919.db2.gz VWOXFSGTUOZWMI-UHFFFAOYSA-N 1 0 279.296 1.404 20 5 CDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000429776292 247526757 /nfs/dbraw/zinc/52/67/57/247526757.db2.gz ZPMJLERCPMJVTO-JOYOIKCWSA-N 1 0 295.314 1.738 20 5 CDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[NH2+]1 ZINC000262336485 190053587 /nfs/dbraw/zinc/05/35/87/190053587.db2.gz SFNSGJYJKSROQM-JTQLQIEISA-N 1 0 275.268 1.162 20 5 CDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000262563663 190057492 /nfs/dbraw/zinc/05/74/92/190057492.db2.gz AXRZCMNLGCHTDS-SECBINFHSA-N 1 0 297.742 1.978 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[NH2+]CC1 ZINC000430633113 247674544 /nfs/dbraw/zinc/67/45/44/247674544.db2.gz BKZGEEOTAFMBRE-UHFFFAOYSA-N 1 0 292.339 1.137 20 5 CDBDRO C[NH2+][C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000430636858 247676678 /nfs/dbraw/zinc/67/66/78/247676678.db2.gz KCSAIHMDKVTMBH-NSHDSACASA-N 1 0 265.313 1.267 20 5 CDBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000263953744 190086224 /nfs/dbraw/zinc/08/62/24/190086224.db2.gz KNHKVOKLORBKEG-VIFPVBQESA-N 1 0 280.332 1.253 20 5 CDBDRO CCc1n[nH]c(C(=O)NCC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000171397471 376571224 /nfs/dbraw/zinc/57/12/24/376571224.db2.gz OGKKPAZOIMHUPW-UHFFFAOYSA-N 1 0 297.359 1.198 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCCN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435231488 248158547 /nfs/dbraw/zinc/15/85/47/248158547.db2.gz WLGGQRIJKHLYSG-CYBMUJFWSA-N 1 0 291.351 1.800 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435234998 248159208 /nfs/dbraw/zinc/15/92/08/248159208.db2.gz BXRGCTLITLKVSF-ZDUSSCGKSA-N 1 0 275.308 1.561 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2=CC[NH2+]CC2)c1 ZINC000189293631 377226572 /nfs/dbraw/zinc/22/65/72/377226572.db2.gz FAZOWSMRQYEKSO-UHFFFAOYSA-N 1 0 275.308 1.553 20 5 CDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1c([N+](=O)[O-])ncn1C ZINC000265224805 190167666 /nfs/dbraw/zinc/16/76/66/190167666.db2.gz PGEYBWXUZNRBJA-SNVBAGLBSA-N 1 0 267.333 1.106 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](CO)C1 ZINC000265796587 190207673 /nfs/dbraw/zinc/20/76/73/190207673.db2.gz HJHWQYXMAXKEAN-NSHDSACASA-N 1 0 266.297 1.288 20 5 CDBDRO C[N@@H+]1CCC[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266156872 190235725 /nfs/dbraw/zinc/23/57/25/190235725.db2.gz OGVDHKAGFDWGKS-ZDUSSCGKSA-N 1 0 277.324 1.348 20 5 CDBDRO O=C1CCc2cc([N+](=O)[O-])c(NCC[NH+]3CCC3)cc2N1 ZINC000443892018 250061839 /nfs/dbraw/zinc/06/18/39/250061839.db2.gz PDTKZUINLMDVPV-UHFFFAOYSA-N 1 0 290.323 1.597 20 5 CDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000266457295 190259112 /nfs/dbraw/zinc/25/91/12/190259112.db2.gz YUXMZSJHRAXXDI-SNVBAGLBSA-N 1 0 280.328 1.337 20 5 CDBDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267054550 190300093 /nfs/dbraw/zinc/30/00/93/190300093.db2.gz RNOBWMBUGJRXTC-LLVKDONJSA-N 1 0 295.314 1.692 20 5 CDBDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000267837490 190357930 /nfs/dbraw/zinc/35/79/30/190357930.db2.gz SRGGCLYJFOCBND-NSHDSACASA-N 1 0 293.323 1.644 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C1(C[NH3+])CCC1 ZINC000449682315 250967727 /nfs/dbraw/zinc/96/77/27/250967727.db2.gz XJKVDPDKCLBECJ-UHFFFAOYSA-N 1 0 278.312 1.252 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000449748215 250997457 /nfs/dbraw/zinc/99/74/57/250997457.db2.gz KVCIJVWIAVNDTO-GFCCVEGCSA-N 1 0 293.323 1.230 20 5 CDBDRO CC[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000450289579 251211265 /nfs/dbraw/zinc/21/12/65/251211265.db2.gz PBSVWWFKNJFXBJ-LLVKDONJSA-N 1 0 279.344 1.259 20 5 CDBDRO C[NH+](C)C/C=C/C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000491850123 253104191 /nfs/dbraw/zinc/10/41/91/253104191.db2.gz QATYODMRTJMRDL-ONEGZZNKSA-N 1 0 293.323 1.208 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1COCCO1)CCC2 ZINC000447533421 285143814 /nfs/dbraw/zinc/14/38/14/285143814.db2.gz RJNILEZTGARVJH-ZFWWWQNUSA-N 1 0 292.335 1.977 20 5 CDBDRO CC[N@H+](C)CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000288294654 197045307 /nfs/dbraw/zinc/04/53/07/197045307.db2.gz GVIRGZGVTSGGIM-UHFFFAOYSA-N 1 0 291.311 1.607 20 5 CDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC1CC[NH2+]CC1 ZINC000417764380 224490916 /nfs/dbraw/zinc/49/09/16/224490916.db2.gz MEUJZXLRTUGJPS-UHFFFAOYSA-N 1 0 292.339 1.189 20 5 CDBDRO CN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000281806997 195389198 /nfs/dbraw/zinc/38/91/98/195389198.db2.gz JANMEIYDAWWWFB-UHFFFAOYSA-N 1 0 264.329 1.912 20 5 CDBDRO C[C@@H]1CCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000281889998 195422852 /nfs/dbraw/zinc/42/28/52/195422852.db2.gz AVYFTZCJIDEGDF-ZYHUDNBSSA-N 1 0 265.313 1.535 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000320479719 390466413 /nfs/dbraw/zinc/46/64/13/390466413.db2.gz GTESQXMQOAPXLV-RKDXNWHRSA-N 1 0 251.286 1.450 20 5 CDBDRO CC(C)[N@H+](CCOCCO)Cc1ccccc1[N+](=O)[O-] ZINC000283749990 390569166 /nfs/dbraw/zinc/56/91/66/390569166.db2.gz KOSXOTYANXOBIP-UHFFFAOYSA-N 1 0 282.340 1.814 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cncc(F)c2)c1 ZINC000494559472 390664240 /nfs/dbraw/zinc/66/42/40/390664240.db2.gz VHDHQYUSGBPBHM-UHFFFAOYSA-N 1 0 265.248 1.115 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000215563719 390914749 /nfs/dbraw/zinc/91/47/49/390914749.db2.gz JKWZMGMJIMDXNN-TVRMLOFPSA-N 1 0 263.297 1.462 20 5 CDBDRO COC[C@@]1(CO)CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000451924146 390919997 /nfs/dbraw/zinc/91/99/97/390919997.db2.gz IGUIILSKDAPSHA-DOMZBBRYSA-N 1 0 294.351 1.987 20 5 CDBDRO CN(C(=O)c1c(N)cccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000181122317 391031377 /nfs/dbraw/zinc/03/13/77/391031377.db2.gz OINYTOFSVZBJBG-SNVBAGLBSA-N 1 0 292.339 1.343 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](N(C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000452121338 391067291 /nfs/dbraw/zinc/06/72/91/391067291.db2.gz SPDPDTYRXRRORJ-LBPRGKRZSA-N 1 0 281.360 1.206 20 5 CDBDRO Cc1nc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)ncc1[N+](=O)[O-] ZINC000295685791 391115693 /nfs/dbraw/zinc/11/56/93/391115693.db2.gz NBCQZUPFFFKWEO-CYBMUJFWSA-N 1 0 277.328 1.225 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C(N)=O ZINC000346672149 391118342 /nfs/dbraw/zinc/11/83/42/391118342.db2.gz TUOLEKHFPMKAQW-BDAKNGLRSA-N 1 0 297.742 1.801 20 5 CDBDRO Cc1ccc(CN2CCCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415118211 391259916 /nfs/dbraw/zinc/25/99/16/391259916.db2.gz XTQZCCJVMCBWSG-ZDUSSCGKSA-N 1 0 279.340 1.453 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CCNc2ncc([N+](=O)[O-])s2)C1 ZINC000413431514 391214023 /nfs/dbraw/zinc/21/40/23/391214023.db2.gz AUHHCSQKOSXHEK-VIFPVBQESA-N 1 0 270.358 1.617 20 5 CDBDRO CC(C)([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000236626122 391265654 /nfs/dbraw/zinc/26/56/54/391265654.db2.gz JUSVKFFKHVTJOV-UHFFFAOYSA-N 1 0 271.704 1.715 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)C[NH3+] ZINC000415292691 391278960 /nfs/dbraw/zinc/27/89/60/391278960.db2.gz HUVILEARWUIDNW-QMMMGPOBSA-N 1 0 266.301 1.680 20 5 CDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[NH3+] ZINC000237630639 391282789 /nfs/dbraw/zinc/28/27/89/391282789.db2.gz QTENBKDIKVAIGU-ZETCQYMHSA-N 1 0 287.703 1.090 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000268200656 391294975 /nfs/dbraw/zinc/29/49/75/391294975.db2.gz OOAICUYVPGGOOW-MFKMUULPSA-N 1 0 289.335 1.807 20 5 CDBDRO C[C@H]([NH2+]CC(C)(C)OCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294063883 391324204 /nfs/dbraw/zinc/32/42/04/391324204.db2.gz HJRMRRNJWADPEF-JTQLQIEISA-N 1 0 297.355 1.615 20 5 CDBDRO Cc1nn(C)c(NCC[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000110798431 391360605 /nfs/dbraw/zinc/36/06/05/391360605.db2.gz DXEIDUFTCNSACZ-SECBINFHSA-N 1 0 253.306 1.048 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000415378181 391376378 /nfs/dbraw/zinc/37/63/78/391376378.db2.gz BYSSDWNFLGZNEI-UWVGGRQHSA-N 1 0 293.327 1.051 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000415496212 391467532 /nfs/dbraw/zinc/46/75/32/391467532.db2.gz GQORUJWYSRDYOI-MRVPVSSYSA-N 1 0 252.274 1.311 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000415500181 391467539 /nfs/dbraw/zinc/46/75/39/391467539.db2.gz KWOLBPLVQZHDGU-JTQLQIEISA-N 1 0 278.312 1.777 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C[NH3+] ZINC000415509526 391468301 /nfs/dbraw/zinc/46/83/01/391468301.db2.gz WOYTVFPDRDRTQO-ZETCQYMHSA-N 1 0 268.273 1.072 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)C[NH3+] ZINC000415653325 391470772 /nfs/dbraw/zinc/47/07/72/391470772.db2.gz IHKJZCSAQIOGDO-VIFPVBQESA-N 1 0 296.327 1.710 20 5 CDBDRO [NH3+]CCCC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269105897 391518892 /nfs/dbraw/zinc/51/88/92/391518892.db2.gz PFQNICAVCSSPDF-UHFFFAOYSA-N 1 0 271.704 1.603 20 5 CDBDRO Cc1c(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000129221953 391639960 /nfs/dbraw/zinc/63/99/60/391639960.db2.gz VEJWVAKLKDLDOG-MWLCHTKSSA-N 1 0 277.324 1.855 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000342219766 130392743 /nfs/dbraw/zinc/39/27/43/130392743.db2.gz JYOPMQAXPWBVMH-LBPRGKRZSA-N 1 0 298.364 1.509 20 5 CDBDRO [NH3+][C@@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000133119831 391918787 /nfs/dbraw/zinc/91/87/87/391918787.db2.gz FSCKPQNCSNFJSX-LVDDQXARSA-N 1 0 275.308 1.462 20 5 CDBDRO Cc1c(CC(=O)NCC2([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000416308295 391985153 /nfs/dbraw/zinc/98/51/53/391985153.db2.gz QARBGVAZBZWLEJ-UHFFFAOYSA-N 1 0 291.351 1.656 20 5 CDBDRO CC(C)(NC(=O)[C@H]1[NH2+]CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000591675083 391981444 /nfs/dbraw/zinc/98/14/44/391981444.db2.gz QZFXJQBUTIKENO-GFCCVEGCSA-N 1 0 291.351 1.944 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094342419 291998260 /nfs/dbraw/zinc/99/82/60/291998260.db2.gz HJZJXBJYKTXORU-MWLCHTKSSA-N 1 0 250.302 1.472 20 5 CDBDRO CCOc1cc(C[NH2+][C@@H]2COC[C@@H]2OC)ccc1[N+](=O)[O-] ZINC000459835816 392511908 /nfs/dbraw/zinc/51/19/08/392511908.db2.gz XSUVQBUHPVCILI-RISCZKNCSA-N 1 0 296.323 1.497 20 5 CDBDRO CC(C)[NH+](CCCNC(=O)c1c[nH]nc1[N+](=O)[O-])C(C)C ZINC000549202734 392546094 /nfs/dbraw/zinc/54/60/94/392546094.db2.gz OOYDFLKYCRPVEB-UHFFFAOYSA-N 1 0 297.359 1.557 20 5 CDBDRO Cc1nc(N2CC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301628012 392769999 /nfs/dbraw/zinc/76/99/99/392769999.db2.gz HXJVOVLNBZYUEH-GFCCVEGCSA-N 1 0 276.340 1.973 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)NC[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000417854909 392874225 /nfs/dbraw/zinc/87/42/25/392874225.db2.gz QOEYJVVMAGFDAH-KOLCDFICSA-N 1 0 294.355 1.858 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000423059755 392958582 /nfs/dbraw/zinc/95/85/82/392958582.db2.gz GJTDTNGPMPJTKC-ZDUSSCGKSA-N 1 0 293.323 1.347 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000423679178 392965313 /nfs/dbraw/zinc/96/53/13/392965313.db2.gz LSRFWMHAYNYKQA-GHMZBOCLSA-N 1 0 279.340 1.986 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[NH3+])c1 ZINC000194909549 393009652 /nfs/dbraw/zinc/00/96/52/393009652.db2.gz GFRBUUOESKVFIW-ZETCQYMHSA-N 1 0 269.326 1.394 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1COCCO1 ZINC000449092449 393130174 /nfs/dbraw/zinc/13/01/74/393130174.db2.gz SPCXEJPJEIQZGR-DGCLKSJQSA-N 1 0 280.324 1.531 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NCC1CC1 ZINC000449227831 393131204 /nfs/dbraw/zinc/13/12/04/393131204.db2.gz QWIVUKRGEKZGNK-NSHDSACASA-N 1 0 291.351 1.642 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000449602522 393135458 /nfs/dbraw/zinc/13/54/58/393135458.db2.gz UBVVPLVNVVOVDG-QMMMGPOBSA-N 1 0 267.285 1.071 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000449593529 393135828 /nfs/dbraw/zinc/13/58/28/393135828.db2.gz PGNSDDDPVBVBJF-GHMZBOCLSA-N 1 0 294.355 1.639 20 5 CDBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000449651804 393137826 /nfs/dbraw/zinc/13/78/26/393137826.db2.gz AECVEMSVZSHJDF-SNVBAGLBSA-N 1 0 285.250 1.322 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493749723 393220001 /nfs/dbraw/zinc/22/00/01/393220001.db2.gz SPQKZCFCWKKHSN-ROSDIQCESA-N 1 0 295.314 1.989 20 5 CDBDRO CN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000493864607 393223021 /nfs/dbraw/zinc/22/30/21/393223021.db2.gz ZEORWDGIZGPWCT-KTLBGCOUSA-N 1 0 293.298 1.567 20 5 CDBDRO CS(=O)(=O)c1ccc(NC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000131913376 139844941 /nfs/dbraw/zinc/84/49/41/139844941.db2.gz RMWVBCLNHXCFQC-VIFPVBQESA-N 1 0 299.352 1.020 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2CC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000178582335 140006259 /nfs/dbraw/zinc/00/62/59/140006259.db2.gz WOSONAOVRSOKPN-SECBINFHSA-N 1 0 281.287 1.463 20 5 CDBDRO C[NH+](C)CCOCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000226738369 140181235 /nfs/dbraw/zinc/18/12/35/140181235.db2.gz GBGFRSCLYYWEDU-UHFFFAOYSA-N 1 0 271.292 1.724 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000229590350 140202259 /nfs/dbraw/zinc/20/22/59/140202259.db2.gz ZLPDGFUMELDSNW-SKDRFNHKSA-N 1 0 278.312 1.857 20 5 CDBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCC1 ZINC000230066135 140207269 /nfs/dbraw/zinc/20/72/69/140207269.db2.gz GEBZKDLZDGSXLC-UHFFFAOYSA-N 1 0 255.299 1.268 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000232231927 140221406 /nfs/dbraw/zinc/22/14/06/140221406.db2.gz SCPQYMKNTVPYCC-JTQLQIEISA-N 1 0 263.297 1.467 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000261587697 140357165 /nfs/dbraw/zinc/35/71/65/140357165.db2.gz VCXOUJDPWLGDCE-ZETCQYMHSA-N 1 0 255.249 1.072 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@]1(C)CCC[NH2+]C1 ZINC000261813944 140392688 /nfs/dbraw/zinc/39/26/88/140392688.db2.gz SRFMZJWEKNABDS-CYBMUJFWSA-N 1 0 281.360 1.921 20 5 CDBDRO Cn1c(C(=O)NCC2([NH3+])CCCCC2)ccc1[N+](=O)[O-] ZINC000261832397 140396670 /nfs/dbraw/zinc/39/66/70/140396670.db2.gz UXSWZZSJLQIXMU-UHFFFAOYSA-N 1 0 280.328 1.325 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000261841126 140397122 /nfs/dbraw/zinc/39/71/22/140397122.db2.gz VQNMXXIBBCPWFL-KOLCDFICSA-N 1 0 299.352 1.013 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCCC23CCOCC3)c1 ZINC000373865980 296522086 /nfs/dbraw/zinc/52/20/86/296522086.db2.gz LIHPOQPPVQZZCL-ZDUSSCGKSA-N 1 0 294.355 1.730 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000127181845 147545436 /nfs/dbraw/zinc/54/54/36/147545436.db2.gz DVSXCARHLDGZAY-JTQLQIEISA-N 1 0 267.260 1.216 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000127673211 147565168 /nfs/dbraw/zinc/56/51/68/147565168.db2.gz YTXONCCGVHNBAF-UHFFFAOYSA-N 1 0 279.340 1.771 20 5 CDBDRO COc1cc(NC[C@@H]([NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000129306546 147621756 /nfs/dbraw/zinc/62/17/56/147621756.db2.gz SSJNTVAAPCVYQA-SNVBAGLBSA-N 1 0 251.286 1.753 20 5 CDBDRO CCC[N@H+](C)C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000176273701 148035181 /nfs/dbraw/zinc/03/51/81/148035181.db2.gz VVNIUCGNOJHKGU-CYBMUJFWSA-N 1 0 295.387 1.455 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000262419713 149061266 /nfs/dbraw/zinc/06/12/66/149061266.db2.gz ATKRAKAJTJDOMT-SECBINFHSA-N 1 0 280.328 1.213 20 5 CDBDRO C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000305759748 149155566 /nfs/dbraw/zinc/15/55/66/149155566.db2.gz IXSDYKPTXMANLM-TVQRCGJNSA-N 1 0 268.288 1.937 20 5 CDBDRO C[C@@H](CC[NH3+])Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000311474610 149213714 /nfs/dbraw/zinc/21/37/14/149213714.db2.gz PKNOJQRLJRFWBX-QMMMGPOBSA-N 1 0 287.341 1.148 20 5 CDBDRO C[C@@H](CCCC[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000312562757 149234312 /nfs/dbraw/zinc/23/43/12/149234312.db2.gz SZYDDNDACKLIIR-VIFPVBQESA-N 1 0 283.303 1.981 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCCC[C@H]1CC[NH3+] ZINC000352503656 155232547 /nfs/dbraw/zinc/23/25/47/155232547.db2.gz IPRWEXBMBXJXOG-JTQLQIEISA-N 1 0 267.333 1.032 20 5 CDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[N@@H+]1CCCC[C@@H]1C ZINC000343071564 152021626 /nfs/dbraw/zinc/02/16/26/152021626.db2.gz FTPINOSKRMRRAG-WDEREUQCSA-N 1 0 294.355 1.916 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000343436919 152176099 /nfs/dbraw/zinc/17/60/99/152176099.db2.gz LNFUIRKTSFSETI-ZDUSSCGKSA-N 1 0 278.312 1.139 20 5 CDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH3+])C1 ZINC000346070312 153042956 /nfs/dbraw/zinc/04/29/56/153042956.db2.gz KBUGRJOUULNSJO-WDEREUQCSA-N 1 0 292.339 1.345 20 5 CDBDRO COc1cc(CN2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000346079786 153045758 /nfs/dbraw/zinc/04/57/58/153045758.db2.gz RCRUWTJZAYNVMD-LLVKDONJSA-N 1 0 295.339 1.535 20 5 CDBDRO C[NH2+][C@H]1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000346688833 153273987 /nfs/dbraw/zinc/27/39/87/153273987.db2.gz OYPBCWSKRVPRMY-NSHDSACASA-N 1 0 295.339 1.406 20 5 CDBDRO CC[N@H+](CCNc1nccc(C(N)=O)c1[N+](=O)[O-])C(C)C ZINC000357234859 157700377 /nfs/dbraw/zinc/70/03/77/157700377.db2.gz HXPSDOWTYFQZKE-UHFFFAOYSA-N 1 0 295.343 1.231 20 5 CDBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000362025393 159042373 /nfs/dbraw/zinc/04/23/73/159042373.db2.gz KWIWMOWCSPFTCW-JSGCOSHPSA-N 1 0 280.324 1.878 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCO[C@H](C[NH+](C)C)C1 ZINC000266504198 287152510 /nfs/dbraw/zinc/15/25/10/287152510.db2.gz BIEZTYPYOLOCND-QWHCGFSZSA-N 1 0 293.367 1.918 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000021797888 171324999 /nfs/dbraw/zinc/32/49/99/171324999.db2.gz FHSMAZPSJBQQGI-SNVBAGLBSA-N 1 0 250.302 1.886 20 5 CDBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000284762360 196126448 /nfs/dbraw/zinc/12/64/48/196126448.db2.gz MDUICTXJKFZVJK-SNVBAGLBSA-N 1 0 295.339 1.544 20 5 CDBDRO C[C@H]([NH2+]CCCOCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285143488 196206789 /nfs/dbraw/zinc/20/67/89/196206789.db2.gz LXQRRAIWKQHNBW-JTQLQIEISA-N 1 0 283.328 1.227 20 5 CDBDRO CC(C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000036949035 172823763 /nfs/dbraw/zinc/82/37/63/172823763.db2.gz WAQNJMCOLTWMSR-JTQLQIEISA-N 1 0 254.286 1.333 20 5 CDBDRO C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000038083130 174092717 /nfs/dbraw/zinc/09/27/17/174092717.db2.gz CADCGNUADFRKET-GHMZBOCLSA-N 1 0 298.364 1.680 20 5 CDBDRO [NH3+]C[C@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000044530336 175194810 /nfs/dbraw/zinc/19/48/10/175194810.db2.gz AJWNJAUZBJKIKX-SNVBAGLBSA-N 1 0 267.304 1.905 20 5 CDBDRO CCCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000071315332 176121758 /nfs/dbraw/zinc/12/17/58/176121758.db2.gz CPCUAVQAFFQXFE-ZDUSSCGKSA-N 1 0 277.324 1.809 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(O[C@H]3CC[NH2+]C3)c2c1 ZINC000081591077 1173112215 /nfs/dbraw/zinc/11/22/15/1173112215.db2.gz CQTWRJVMMAUVFZ-VIFPVBQESA-N 1 0 260.253 1.279 20 5 CDBDRO CN1CC[NH2+]C[C@@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000394811423 270339675 /nfs/dbraw/zinc/33/96/75/270339675.db2.gz KRMGKNZLMGQRNS-SNVBAGLBSA-N 1 0 268.292 1.049 20 5 CDBDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000188507038 264041456 /nfs/dbraw/zinc/04/14/56/264041456.db2.gz QBLYQWUSTPAWFD-SNVBAGLBSA-N 1 0 295.339 1.560 20 5 CDBDRO Cc1cc(N2CC[NH2+][C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000310871117 274708806 /nfs/dbraw/zinc/70/88/06/274708806.db2.gz MARBXLBCGDCJSX-VIFPVBQESA-N 1 0 253.277 1.840 20 5 CDBDRO [NH3+]C[C@H]1CCCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000105934427 274951942 /nfs/dbraw/zinc/95/19/42/274951942.db2.gz MSZSVAMRFLIXBL-MRVPVSSYSA-N 1 0 281.341 1.479 20 5 CDBDRO [NH3+][C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000236331100 274962197 /nfs/dbraw/zinc/96/21/97/274962197.db2.gz FSWOETOENZXBQY-ZETCQYMHSA-N 1 0 256.693 1.571 20 5 CDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000269328289 276041078 /nfs/dbraw/zinc/04/10/78/276041078.db2.gz DRWIVNIWJOPSMV-SECBINFHSA-N 1 0 295.343 1.217 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(N)c3F)[C@H]2C1 ZINC000286576129 277146873 /nfs/dbraw/zinc/14/68/73/277146873.db2.gz RZNYANPUSVHZQW-SKDRFNHKSA-N 1 0 294.330 1.847 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000149166700 277162757 /nfs/dbraw/zinc/16/27/57/277162757.db2.gz ORRMUSVYRWGTDP-SECBINFHSA-N 1 0 297.742 1.930 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000070303647 277270137 /nfs/dbraw/zinc/27/01/37/277270137.db2.gz FMFVWOVZFZSHMM-UHFFFAOYSA-N 1 0 251.286 1.195 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000127698130 277278074 /nfs/dbraw/zinc/27/80/74/277278074.db2.gz RVABFASRENSRNQ-LBPRGKRZSA-N 1 0 277.324 1.727 20 5 CDBDRO C[C@@H](CCC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000336809650 278228084 /nfs/dbraw/zinc/22/80/84/278228084.db2.gz FYDKIUYXNTWUNQ-VIFPVBQESA-N 1 0 287.341 1.001 20 5 CDBDRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037783001 278251266 /nfs/dbraw/zinc/25/12/66/278251266.db2.gz JVKGPBKANVJALC-NSHDSACASA-N 1 0 277.324 1.695 20 5 CDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000286477459 278970721 /nfs/dbraw/zinc/97/07/21/278970721.db2.gz WHQNVIDVFNAYSU-ZJUUUORDSA-N 1 0 292.343 1.030 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418229431 279514526 /nfs/dbraw/zinc/51/45/26/279514526.db2.gz GYFVPFMNXPHNKB-MNOVXSKESA-N 1 0 294.355 1.953 20 5 CDBDRO O=C(N[C@H]1C[C@@H]1C1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000361099674 279998712 /nfs/dbraw/zinc/99/87/12/279998712.db2.gz WOQQKXPWZUXELW-OLZOCXBDSA-N 1 0 289.335 1.713 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000237924755 280193416 /nfs/dbraw/zinc/19/34/16/280193416.db2.gz MCLVELRTEUJJNJ-FWEMWIAWSA-N 1 0 279.271 1.307 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@H](C)C[NH3+] ZINC000430934860 281261107 /nfs/dbraw/zinc/26/11/07/281261107.db2.gz QYJYVVRGRJJBRK-SNVBAGLBSA-N 1 0 280.328 1.121 20 5 CDBDRO COCC[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000532036481 281892918 /nfs/dbraw/zinc/89/29/18/281892918.db2.gz FPUCIWDSELSCKQ-GFCCVEGCSA-N 1 0 294.355 1.537 20 5 CDBDRO CO[C@@H]1COC[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565219663 293566651 /nfs/dbraw/zinc/56/66/51/293566651.db2.gz XLZMBIDYTQWOTB-OUCADQQQSA-N 1 0 278.308 1.586 20 5 CDBDRO C[C@H](O)C[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000572404372 294617216 /nfs/dbraw/zinc/61/72/16/294617216.db2.gz ILVFOSIKVJGDLG-GMXVVIOVSA-N 1 0 298.339 1.084 20 5 CDBDRO COc1cccc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC000573606151 294851416 /nfs/dbraw/zinc/85/14/16/294851416.db2.gz XLYKLKOGUDMKMR-ZJUUUORDSA-N 1 0 293.323 1.474 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000574630373 295029320 /nfs/dbraw/zinc/02/93/20/295029320.db2.gz OHOYMBSKJHOKAN-UWVGGRQHSA-N 1 0 281.312 1.073 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c1[N+](=O)[O-] ZINC000261785895 301299993 /nfs/dbraw/zinc/29/99/93/301299993.db2.gz KLXUECOXBXANOE-UWVGGRQHSA-N 1 0 295.314 1.852 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000261664927 302045117 /nfs/dbraw/zinc/04/51/17/302045117.db2.gz FKUABMOLDHHDAT-VHSXEESVSA-N 1 0 299.352 1.013 20 5 CDBDRO CN1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1=O ZINC000563419427 316304041 /nfs/dbraw/zinc/30/40/41/316304041.db2.gz UYKRRXTVZPBOBS-SKDRFNHKSA-N 1 0 275.308 1.402 20 5 CDBDRO CC(C)[NH2+]CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000576040888 317062453 /nfs/dbraw/zinc/06/24/53/317062453.db2.gz XQWILFIQFHKYOK-UHFFFAOYSA-N 1 0 279.340 1.642 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCC[NH3+] ZINC000576805820 317209135 /nfs/dbraw/zinc/20/91/35/317209135.db2.gz LUGRLWKBPNKNER-UHFFFAOYSA-N 1 0 296.327 1.806 20 5 CDBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000577391534 317323379 /nfs/dbraw/zinc/32/33/79/317323379.db2.gz PHCMIKQCQJZFDT-MFKMUULPSA-N 1 0 293.323 1.088 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000382458918 323642581 /nfs/dbraw/zinc/64/25/81/323642581.db2.gz SULRIGABVJJOJQ-NXEZZACHSA-N 1 0 299.352 1.001 20 5 CDBDRO C[NH2+]CCSCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000382649924 323650418 /nfs/dbraw/zinc/65/04/18/323650418.db2.gz WYVUVFAXGXCQIQ-UHFFFAOYSA-N 1 0 269.326 1.486 20 5 CDBDRO COCC(COC)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000384966000 323696745 /nfs/dbraw/zinc/69/67/45/323696745.db2.gz OJOFDSRNUWDENY-UHFFFAOYSA-N 1 0 254.286 1.346 20 5 CDBDRO CN(Cc1csc([N+](=O)[O-])c1)C1(C[NH3+])CCC1 ZINC000385127126 323701747 /nfs/dbraw/zinc/70/17/47/323701747.db2.gz FZCNRDVIVAFBIJ-UHFFFAOYSA-N 1 0 255.343 1.970 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000578865053 324042005 /nfs/dbraw/zinc/04/20/05/324042005.db2.gz BIJGBFIWXDOODX-SNVBAGLBSA-N 1 0 293.323 1.285 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CC12CC2 ZINC000579345009 324160888 /nfs/dbraw/zinc/16/08/88/324160888.db2.gz SPSDUABIVZVHSR-NEPJUHHUSA-N 1 0 292.335 1.724 20 5 CDBDRO O=C(C[NH2+]C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000579819958 324288390 /nfs/dbraw/zinc/28/83/90/324288390.db2.gz HCIZZOCYAGETNQ-UHFFFAOYSA-N 1 0 261.281 1.236 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000580171968 324387310 /nfs/dbraw/zinc/38/73/10/324387310.db2.gz LNJGGVVPOHGIBB-NSHDSACASA-N 1 0 278.312 1.098 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC([C@H]3CC[NH2+]C3)CC2)nc1 ZINC000580534101 324488607 /nfs/dbraw/zinc/48/86/07/324488607.db2.gz VKXAVVZJBZKNFU-NSHDSACASA-N 1 0 277.328 1.211 20 5 CDBDRO CNc1ccc(C(=O)N2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000580951346 324607454 /nfs/dbraw/zinc/60/74/54/324607454.db2.gz MTAGFZLMDHTSJF-SNVBAGLBSA-N 1 0 278.312 1.200 20 5 CDBDRO [NH3+]C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000582834642 325052243 /nfs/dbraw/zinc/05/22/43/325052243.db2.gz XRBQBGIJPQKCOZ-LBPRGKRZSA-N 1 0 278.312 1.131 20 5 CDBDRO Cc1c(CNC(=O)N[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000418086383 533860440 /nfs/dbraw/zinc/86/04/40/533860440.db2.gz ZUVSBGHLWKQBFB-LBPRGKRZSA-N 1 0 292.339 1.454 20 5 CDBDRO C[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])C[NH+](C)C ZINC000291807902 534092350 /nfs/dbraw/zinc/09/23/50/534092350.db2.gz JYDWURWELVSZNK-VIFPVBQESA-N 1 0 252.318 1.787 20 5 CDBDRO CC[NH2+]CCNC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000151375397 519922531 /nfs/dbraw/zinc/92/25/31/519922531.db2.gz YZDSLIAUVKTAMW-UHFFFAOYSA-N 1 0 281.312 1.333 20 5 CDBDRO COCCN(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000061375993 523608384 /nfs/dbraw/zinc/60/83/84/523608384.db2.gz AIDDZQSTSPICLE-UHFFFAOYSA-N 1 0 267.329 1.263 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000141927487 524310298 /nfs/dbraw/zinc/31/02/98/524310298.db2.gz BGPHFYAQAJXISP-ZCFIWIBFSA-N 1 0 257.677 1.325 20 5 CDBDRO C[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000245715386 524476282 /nfs/dbraw/zinc/47/62/82/524476282.db2.gz URHRPWKJXJUPHI-NXEZZACHSA-N 1 0 295.343 1.168 20 5 CDBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ncc([N+](=O)[O-])cn1 ZINC000049502020 524609749 /nfs/dbraw/zinc/60/97/49/524609749.db2.gz IHBPFNDAMNBUDC-JTQLQIEISA-N 1 0 265.317 1.671 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227072568 525456819 /nfs/dbraw/zinc/45/68/19/525456819.db2.gz DUGUGXXPLFHUOJ-GXFFZTMASA-N 1 0 279.340 1.773 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CCC(=O)NC1)c1cccc([N+](=O)[O-])c1 ZINC000111018639 525551891 /nfs/dbraw/zinc/55/18/91/525551891.db2.gz YLLWRHGGGAGMOS-GXSJLCMTSA-N 1 0 263.297 1.524 20 5 CDBDRO COc1cccc(NCC2([NH3+])CCC2)c1[N+](=O)[O-] ZINC000234981937 526207918 /nfs/dbraw/zinc/20/79/18/526207918.db2.gz NZBYBAAZOKZDCE-UHFFFAOYSA-N 1 0 251.286 1.897 20 5 CDBDRO [NH3+]CCOc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000051870081 527189180 /nfs/dbraw/zinc/18/91/80/527189180.db2.gz OKJHWIHYYGFFAO-UHFFFAOYSA-N 1 0 250.176 1.951 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(OCC3CC3)CC2)n1 ZINC000363360052 527406968 /nfs/dbraw/zinc/40/69/68/527406968.db2.gz BWCBSJFWKCMDTQ-UHFFFAOYSA-N 1 0 294.355 1.682 20 5 CDBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)C(C)C ZINC000304287934 528741401 /nfs/dbraw/zinc/74/14/01/528741401.db2.gz BDRZBCSOXHMTKT-YPMHNXCESA-N 1 0 284.360 1.519 20 5 CDBDRO CC(C)[C@@H]([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269097658 535206749 /nfs/dbraw/zinc/20/67/49/535206749.db2.gz MWPOYKBRYDXONV-LLVKDONJSA-N 1 0 285.731 1.848 20 5 CDBDRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423820478 535951660 /nfs/dbraw/zinc/95/16/60/535951660.db2.gz CAWPSXZSDWUCBQ-ZANVPECISA-N 1 0 292.339 1.248 20 5 CDBDRO C[NH2+][C@@H]1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000430596365 536375089 /nfs/dbraw/zinc/37/50/89/536375089.db2.gz WLNVCMAGHWTIEN-LLVKDONJSA-N 1 0 292.339 1.135 20 5 CDBDRO COc1cc(C(=O)N[C@H]2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000232237443 536520787 /nfs/dbraw/zinc/52/07/87/536520787.db2.gz PXEHISSMFNFUHV-NSHDSACASA-N 1 0 293.323 1.475 20 5 CDBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c2nonc21)C1CC1 ZINC000730107060 574850749 /nfs/dbraw/zinc/85/07/49/574850749.db2.gz VMPZJWZCNGWSFK-NSHDSACASA-N 1 0 291.311 1.883 20 5 CDBDRO COC[C@](C)([NH3+])CNc1nc2ccccn2c1[N+](=O)[O-] ZINC000733895844 575145020 /nfs/dbraw/zinc/14/50/20/575145020.db2.gz NOECDXUOHOAXOY-GFCCVEGCSA-N 1 0 279.300 1.018 20 5 CDBDRO COC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000754385991 576894597 /nfs/dbraw/zinc/89/45/97/576894597.db2.gz UOWDMUBXKATPSG-KBPBESRZSA-N 1 0 282.340 1.889 20 5 CDBDRO CC[C@@H](C(=O)OCCn1ccc([N+](=O)[O-])n1)[NH+](CC)CC ZINC000748128401 576896539 /nfs/dbraw/zinc/89/65/39/576896539.db2.gz GXPSFILMJAUEMP-NSHDSACASA-N 1 0 298.343 1.455 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](O)c2ccco2)c1 ZINC000749670299 576957007 /nfs/dbraw/zinc/95/70/07/576957007.db2.gz KOIIMUFHGUCRDH-STQMWFEESA-N 1 0 292.291 1.544 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CCn3cccc3C2)cc1 ZINC000932528351 617325563 /nfs/dbraw/zinc/32/55/63/617325563.db2.gz CTGBJKFBWDDIKA-HNNXBMFYSA-N 1 0 287.319 1.946 20 5 CDBDRO CCN(CC)C(=O)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000157793034 617365258 /nfs/dbraw/zinc/36/52/58/617365258.db2.gz FYGIQDUCYRGEQZ-ZDUSSCGKSA-N 1 0 295.339 1.086 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000804854789 617384004 /nfs/dbraw/zinc/38/40/04/617384004.db2.gz LFGVBZHVWVFJJV-VIFPVBQESA-N 1 0 263.301 1.605 20 5 CDBDRO Cn1ncc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1C1CC1 ZINC000893133118 617402282 /nfs/dbraw/zinc/40/22/82/617402282.db2.gz ARSJAQUVGOZOKM-UHFFFAOYSA-N 1 0 290.327 1.192 20 5 CDBDRO C[C@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000840882616 617517394 /nfs/dbraw/zinc/51/73/94/617517394.db2.gz QDGOEIIOXWPQSE-JTQLQIEISA-N 1 0 298.364 1.823 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000931044371 617588648 /nfs/dbraw/zinc/58/86/48/617588648.db2.gz APRWGLZBZLRDIA-IUODEOHRSA-N 1 0 293.367 1.998 20 5 CDBDRO CC[NH+](CC)CCSc1c([N+](=O)[O-])cnn1C ZINC000892713865 617625138 /nfs/dbraw/zinc/62/51/38/617625138.db2.gz ZVAXUCKZWWZTGS-UHFFFAOYSA-N 1 0 258.347 1.762 20 5 CDBDRO O=[N+]([O-])CC[N@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000931710815 617683170 /nfs/dbraw/zinc/68/31/70/617683170.db2.gz YCUMMAQZSACVJQ-CYBMUJFWSA-N 1 0 261.325 1.748 20 5 CDBDRO CC[C@H](CO)[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000931767962 617721155 /nfs/dbraw/zinc/72/11/55/617721155.db2.gz XGZFTCSXNTWDRZ-SNVBAGLBSA-N 1 0 284.312 1.343 20 5 CDBDRO C[C@@H](CNc1c([N+](=O)[O-])cnn1C)[N@H+](C)C1CC1 ZINC000892302754 617724903 /nfs/dbraw/zinc/72/49/03/617724903.db2.gz ALYQKPZYJZGGGW-QMMMGPOBSA-N 1 0 253.306 1.223 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000892938652 617931653 /nfs/dbraw/zinc/93/16/53/617931653.db2.gz GVZDXFIOWDXQMV-JTQLQIEISA-N 1 0 281.312 1.103 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000893871042 618112760 /nfs/dbraw/zinc/11/27/60/618112760.db2.gz CNKSSEWDOXPSOV-SNVBAGLBSA-N 1 0 295.314 1.866 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000893872076 618116330 /nfs/dbraw/zinc/11/63/30/618116330.db2.gz OHOFMQSAISXZJR-LLVKDONJSA-N 1 0 277.324 1.727 20 5 CDBDRO COc1c(O)ccc(C[NH2+]CCOC(C)C)c1[N+](=O)[O-] ZINC000893566124 618133312 /nfs/dbraw/zinc/13/33/12/618133312.db2.gz YZLCSYOETCACTL-UHFFFAOYSA-N 1 0 284.312 1.824 20 5 CDBDRO C[N@@H+]1C[C@H]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]2C1 ZINC000893936083 618195813 /nfs/dbraw/zinc/19/58/13/618195813.db2.gz VEFSWYLUQUCHCZ-RNCFNFMXSA-N 1 0 292.295 1.643 20 5 CDBDRO [NH3+]C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000841100672 618682328 /nfs/dbraw/zinc/68/23/28/618682328.db2.gz LCNHPSQDSPIMNN-LBPRGKRZSA-N 1 0 299.758 1.798 20 5 CDBDRO C[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000140385355 618842736 /nfs/dbraw/zinc/84/27/36/618842736.db2.gz AUXRPKCJKPYOTD-UHFFFAOYSA-N 1 0 269.732 1.996 20 5 CDBDRO CCC[C@H]1CN(c2ncc([N+](=O)[O-])s2)CC[NH2+]1 ZINC000895059900 619244245 /nfs/dbraw/zinc/24/42/45/619244245.db2.gz YEWLHVIELWOMLO-QMMMGPOBSA-N 1 0 256.331 1.630 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CO)C[C@H]2CCCO2)cc1 ZINC000895750000 619826285 /nfs/dbraw/zinc/82/62/85/619826285.db2.gz XEMPDUHYUDUNHY-UKRRQHHQSA-N 1 0 294.351 1.657 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC[C@H](O)C2CC2)cc1 ZINC000898197254 621392268 /nfs/dbraw/zinc/39/22/68/621392268.db2.gz DVUHVMLBAGXTBR-AWEZNQCLSA-N 1 0 264.325 1.888 20 5 CDBDRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[N+](=O)[O-] ZINC000905038147 626378631 /nfs/dbraw/zinc/37/86/31/626378631.db2.gz OLMCXRHXAGTJLS-SNVBAGLBSA-N 1 0 266.297 1.603 20 5 CDBDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905293698 626722525 /nfs/dbraw/zinc/72/25/25/626722525.db2.gz WRDIYERXIKMTCD-GFCCVEGCSA-N 1 0 265.357 1.858 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000905340606 626775298 /nfs/dbraw/zinc/77/52/98/626775298.db2.gz HPGRPMCZHHTFKZ-JTQLQIEISA-N 1 0 294.229 1.485 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC[C@H](O)C2CC2)c1 ZINC000905690214 626918102 /nfs/dbraw/zinc/91/81/02/626918102.db2.gz GITPBEYETFSSCC-UONOGXRCSA-N 1 0 280.324 1.379 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911832220 629562420 /nfs/dbraw/zinc/56/24/20/629562420.db2.gz GRBHMIQBRUGWCH-NSHDSACASA-N 1 0 295.364 1.784 20 5 CDBDRO Cc1nn(C[C@@H]2CCC[N@H+]2C)c2ncc([N+](=O)[O-])cc12 ZINC000917129622 632160112 /nfs/dbraw/zinc/16/01/12/632160112.db2.gz DHBQNXCUKFZBSP-JTQLQIEISA-N 1 0 275.312 1.742 20 5 CDBDRO Cc1cc(=O)n(C[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000917221604 632177517 /nfs/dbraw/zinc/17/75/17/632177517.db2.gz YUJKFKCQKJEQJT-JTQLQIEISA-N 1 0 251.286 1.159 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[NH+]1CCCCC1 ZINC000917838437 632288186 /nfs/dbraw/zinc/28/81/86/632288186.db2.gz LVCUTGLPMQQDOD-NSHDSACASA-N 1 0 294.355 1.538 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]C2COC2)c([N+](=O)[O-])c1 ZINC001170299773 1162328331 /nfs/dbraw/zinc/32/83/31/1162328331.db2.gz WNALZEGCQSSHCC-VIFPVBQESA-N 1 0 266.297 1.523 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]CCCO)c([N+](=O)[O-])c1 ZINC001170298588 1162328636 /nfs/dbraw/zinc/32/86/36/1162328636.db2.gz MTHWJYJYFKDLLB-SNVBAGLBSA-N 1 0 268.313 1.506 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]C2COC2)c([N+](=O)[O-])c1 ZINC001170299772 1162328715 /nfs/dbraw/zinc/32/87/15/1162328715.db2.gz WNALZEGCQSSHCC-SECBINFHSA-N 1 0 266.297 1.523 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]CC2(O)CC2)c([N+](=O)[O-])c1 ZINC001170300086 1162328744 /nfs/dbraw/zinc/32/87/44/1162328744.db2.gz WUGROBMZTIJJGH-JTQLQIEISA-N 1 0 280.324 1.649 20 5 CDBDRO Cc1nn(CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000793770123 1162443918 /nfs/dbraw/zinc/44/39/18/1162443918.db2.gz WPPRWZAPGUMGOJ-ZDUSSCGKSA-N 1 0 279.344 1.085 20 5 CDBDRO [NH3+]Cc1cccc2c1cnn2-c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001158303397 1162841587 /nfs/dbraw/zinc/84/15/87/1162841587.db2.gz ZMWCCQMUQMIELL-UHFFFAOYSA-N 1 0 285.263 1.026 20 5 CDBDRO C[C@@H](Nc1cnc(Cl)cc1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001170568205 1162945550 /nfs/dbraw/zinc/94/55/50/1162945550.db2.gz HCUNWLJGKVUUNZ-XCBNKYQSSA-N 1 0 286.719 1.432 20 5 CDBDRO [NH3+][C@H]1COC[C@H]1Nc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001155345986 1167136166 /nfs/dbraw/zinc/13/61/66/1167136166.db2.gz QXCVXKRNKVLRKI-CMPLNLGQSA-N 1 0 274.280 1.281 20 5 CDBDRO Cc1ccnc(NCc2noc3c2C[NH2+]CC3)c1[N+](=O)[O-] ZINC001155497103 1167197317 /nfs/dbraw/zinc/19/73/17/1167197317.db2.gz GDUNRPUSQVUUQF-UHFFFAOYSA-N 1 0 289.295 1.544 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)cnc2c1 ZINC001155583526 1167243078 /nfs/dbraw/zinc/24/30/78/1167243078.db2.gz LDEWAFHUVQEPOG-USWWRNFRSA-N 1 0 299.334 1.948 20 5 CDBDRO Cc1nc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)ncc1[N+](=O)[O-] ZINC001155588164 1167246747 /nfs/dbraw/zinc/24/67/47/1167246747.db2.gz RMCWDWRODUZPRP-UTLUCORTSA-N 1 0 263.301 1.103 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001155616136 1167259709 /nfs/dbraw/zinc/25/97/09/1167259709.db2.gz ATALRZPYAVBJOI-FZMZJTMJSA-N 1 0 292.339 1.621 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001307195204 1167455632 /nfs/dbraw/zinc/45/56/32/1167455632.db2.gz MOSDHLRSAHENKE-JTQLQIEISA-N 1 0 278.312 1.200 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC001573911110 1170825098 /nfs/dbraw/zinc/82/50/98/1170825098.db2.gz ZBJPKATVKYZSIJ-IINYFYTJSA-N 1 0 290.323 1.575 20 5 CDBDRO Nc1ccc(NC(=O)[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC001574287159 1170939330 /nfs/dbraw/zinc/93/93/30/1170939330.db2.gz BBYCLYPGLOCIAW-CYBMUJFWSA-N 1 0 286.291 1.816 20 5 CDBDRO Cc1ccc(CNC(=O)[C@@H]([NH3+])COC(C)C)cc1[N+](=O)[O-] ZINC001579696673 1172242694 /nfs/dbraw/zinc/24/26/94/1172242694.db2.gz XSJVYSSWOKUXAN-LBPRGKRZSA-N 1 0 295.339 1.272 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1F ZINC001579734144 1172250787 /nfs/dbraw/zinc/25/07/87/1172250787.db2.gz PKSZMJLSBRPYAE-NWDGAFQWSA-N 1 0 281.287 1.333 20 5 CDBDRO [NH3+]CCSCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001580315407 1172401744 /nfs/dbraw/zinc/40/17/44/1172401744.db2.gz PODQMTSQXRLXJG-UHFFFAOYSA-N 1 0 290.366 1.060 20 5 CDBDRO [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001580396378 1172422725 /nfs/dbraw/zinc/42/27/25/1172422725.db2.gz OKQDTBOZMMRNCF-KWCYVHTRSA-N 1 0 289.335 1.648 20 5 CDBDRO CO[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000234949785 1178228808 /nfs/dbraw/zinc/22/88/08/1178228808.db2.gz AODSRHXPMMZDHJ-IACUBPJLSA-N 1 0 280.324 1.785 20 5 CDBDRO Cc1nc(Cl)nc(N[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000236014862 1178247097 /nfs/dbraw/zinc/24/70/97/1178247097.db2.gz UOOATLQMUNZTGY-VIFPVBQESA-N 1 0 297.746 1.853 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000401230693 1186408096 /nfs/dbraw/zinc/40/80/96/1186408096.db2.gz MZIPRHIRJHKTAX-XHNCKOQMSA-N 1 0 283.353 1.867 20 5 CDBDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CO1 ZINC000402054963 1186435335 /nfs/dbraw/zinc/43/53/35/1186435335.db2.gz QXIACBHJSBBLLI-CDMKHQONSA-N 1 0 266.297 1.395 20 5 CDBDRO COc1cc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC001164639330 719187109 /nfs/dbraw/zinc/18/71/09/719187109.db2.gz RSYDDPDERVGKBX-UWVGGRQHSA-N 1 0 280.328 1.527 20 5 CDBDRO Cc1nc(N2CC[NH+](CC(C)C)CC2)ncc1[N+](=O)[O-] ZINC000296527239 719339962 /nfs/dbraw/zinc/33/99/62/719339962.db2.gz NCCHZHMQIFXHMW-UHFFFAOYSA-N 1 0 279.344 1.471 20 5 CDBDRO C[N@@H+]1CCO[C@H]2CN(c3cc(Cl)ncc3[N+](=O)[O-])C[C@@H]21 ZINC001164669524 719378129 /nfs/dbraw/zinc/37/81/29/719378129.db2.gz QNDSIHRJKWXSEG-QWRGUYRKSA-N 1 0 298.730 1.162 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000701920147 727258846 /nfs/dbraw/zinc/25/88/46/727258846.db2.gz ZECGHACEVUYYCV-SSDOTTSWSA-N 1 0 255.249 1.072 20 5 CDBDRO CCN1CC[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000708691190 726013899 /nfs/dbraw/zinc/01/38/99/726013899.db2.gz YPVQFWZKPADNLL-MFKMUULPSA-N 1 0 277.324 1.866 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000168723054 726015555 /nfs/dbraw/zinc/01/55/55/726015555.db2.gz UHTHZQAAZWRDLI-BDAKNGLRSA-N 1 0 281.287 1.543 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@H]2C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000720976586 726016007 /nfs/dbraw/zinc/01/60/07/726016007.db2.gz IRDSGGUXWUTGDU-HAQNSBGRSA-N 1 0 250.298 1.764 20 5 CDBDRO C[C@H](C(=O)OCC[NH+]1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000861389669 726018661 /nfs/dbraw/zinc/01/86/61/726018661.db2.gz TZYDIXZKIRLRGZ-NSHDSACASA-N 1 0 278.308 1.947 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCC2CC(O)C2)cc1 ZINC000702487613 726022714 /nfs/dbraw/zinc/02/27/14/726022714.db2.gz MNVORLALJMCQFS-UZANAETPSA-N 1 0 280.324 1.379 20 5 CDBDRO CC(C)(CCC(=O)NC1CC[NH+](C2CCC2)CC1)[N+](=O)[O-] ZINC000837041007 726028956 /nfs/dbraw/zinc/02/89/56/726028956.db2.gz LNEMVVZGESHMOI-UHFFFAOYSA-N 1 0 297.399 1.955 20 5 CDBDRO C[NH+](C)CCCOC(=O)CCOc1cccc([N+](=O)[O-])c1 ZINC000791720877 726067345 /nfs/dbraw/zinc/06/73/45/726067345.db2.gz YDKATHDCLBMBBG-UHFFFAOYSA-N 1 0 296.323 1.859 20 5 CDBDRO O=[N+]([O-])c1ccc(CCN2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000420413607 726098235 /nfs/dbraw/zinc/09/82/35/726098235.db2.gz ZOJBJEILFKUIPH-OAHLLOKOSA-N 1 0 275.352 1.965 20 5 CDBDRO CNC(=O)c1ccc(N2CC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000132437816 726117178 /nfs/dbraw/zinc/11/71/78/726117178.db2.gz XTMIRHDXOQBWKF-ONGXEEELSA-N 1 0 292.339 1.128 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000882478655 726132032 /nfs/dbraw/zinc/13/20/32/726132032.db2.gz AFFKECBRWSCZHU-GFCCVEGCSA-N 1 0 293.323 1.184 20 5 CDBDRO CC1(C)C[NH2+]C[C@@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000884153545 726135442 /nfs/dbraw/zinc/13/54/42/726135442.db2.gz MPRJQAFEENKUIV-GFCCVEGCSA-N 1 0 291.351 1.499 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCn3nncc3C2)cc1 ZINC000886455195 726202726 /nfs/dbraw/zinc/20/27/26/726202726.db2.gz DRZUIONZIDGVED-UHFFFAOYSA-N 1 0 287.323 1.635 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000839721471 726204759 /nfs/dbraw/zinc/20/47/59/726204759.db2.gz MPDJMXOUNJBVRQ-CDGCEXEKSA-N 1 0 295.383 1.421 20 5 CDBDRO C[C@@H]([NH3+])CN(C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000863566165 726280625 /nfs/dbraw/zinc/28/06/25/726280625.db2.gz CZOZPQCGUFBPKZ-NXEZZACHSA-N 1 0 280.328 1.201 20 5 CDBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839773172 726299310 /nfs/dbraw/zinc/29/93/10/726299310.db2.gz JBJOFWZOCNSEHX-ZIAGYGMSSA-N 1 0 297.399 1.766 20 5 CDBDRO CC[N@H+]1[C@H](C)CN(Cc2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000886270503 726309595 /nfs/dbraw/zinc/30/95/95/726309595.db2.gz FNVQAXTUVYUKDL-TXEJJXNPSA-N 1 0 278.356 1.904 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000818564835 726319076 /nfs/dbraw/zinc/31/90/76/726319076.db2.gz NTZSLODJVBOXNS-ZJUUUORDSA-N 1 0 295.314 1.852 20 5 CDBDRO C[N@@H+]1CC[C@H]2CN(Cc3cccnc3[N+](=O)[O-])CC[C@@H]21 ZINC000886310506 726332328 /nfs/dbraw/zinc/33/23/28/726332328.db2.gz MQHPBXBKBXQFLV-AAEUAGOBSA-N 1 0 276.340 1.516 20 5 CDBDRO C[C@H]1CCC[N@H+](CCNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822523427 726384864 /nfs/dbraw/zinc/38/48/64/726384864.db2.gz MLWYPLDOXGMDTL-LBPRGKRZSA-N 1 0 285.388 1.670 20 5 CDBDRO C[NH+](C)CC1CN(c2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000853651592 726403085 /nfs/dbraw/zinc/40/30/85/726403085.db2.gz HAYZWRGYMOMREU-UHFFFAOYSA-N 1 0 275.312 1.240 20 5 CDBDRO C[NH2+]C[C@@H](C)CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000420217343 726404932 /nfs/dbraw/zinc/40/49/32/726404932.db2.gz XNRXMRPWGABKLT-SNVBAGLBSA-N 1 0 274.324 1.832 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000832502943 726411102 /nfs/dbraw/zinc/41/11/02/726411102.db2.gz RXUDYTWCHATRSH-GHMZBOCLSA-N 1 0 271.361 1.421 20 5 CDBDRO CC(C)[NH2+]C1(CO)CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000853656408 726816412 /nfs/dbraw/zinc/81/64/12/726816412.db2.gz NDVAGZGAYVZVPQ-UHFFFAOYSA-N 1 0 293.367 1.924 20 5 CDBDRO O=[N+]([O-])c1cc(F)c(N2C[C@@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000227888580 726827558 /nfs/dbraw/zinc/82/75/58/726827558.db2.gz JIMJPNIMFFTUTP-YUMQZZPRSA-N 1 0 269.251 1.529 20 5 CDBDRO COc1ccc([C@H](C)[NH2+]CC[N+](=O)[O-])c(C)c1OC ZINC000930494491 726829610 /nfs/dbraw/zinc/82/96/10/726829610.db2.gz ZBSGCNCRGPOOLK-JTQLQIEISA-N 1 0 268.313 1.940 20 5 CDBDRO [NH3+]C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000050249735 726835276 /nfs/dbraw/zinc/83/52/76/726835276.db2.gz DONKMZSILKFIKJ-JTQLQIEISA-N 1 0 272.308 1.928 20 5 CDBDRO C[N@@H+]1CC[C@@]2(CCN(Cc3cccnc3[N+](=O)[O-])C2)C1 ZINC000886215176 726885165 /nfs/dbraw/zinc/88/51/65/726885165.db2.gz FMXPKMPJNCMVHZ-CQSZACIVSA-N 1 0 276.340 1.517 20 5 CDBDRO C[NH2+]C[C@H]1CCCCN1c1ncccc1[N+](=O)[O-] ZINC000063169440 726927660 /nfs/dbraw/zinc/92/76/60/726927660.db2.gz ZFSNEFBYEHIYQR-SNVBAGLBSA-N 1 0 250.302 1.568 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000804444023 726983634 /nfs/dbraw/zinc/98/36/34/726983634.db2.gz SOWIUXYCJWPNPL-SNVBAGLBSA-N 1 0 264.329 1.931 20 5 CDBDRO CC(C)(C)[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000776590433 726985874 /nfs/dbraw/zinc/98/58/74/726985874.db2.gz DTPANINEWVJFKJ-VXGBXAGGSA-N 1 0 295.339 1.118 20 5 CDBDRO CC[C@@H](C)[N@H+](CCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000805792461 726992190 /nfs/dbraw/zinc/99/21/90/726992190.db2.gz UZAHNCMOBOLLSP-RISCZKNCSA-N 1 0 282.340 1.721 20 5 CDBDRO [NH3+][C@@H](CC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826913542 727025869 /nfs/dbraw/zinc/02/58/69/727025869.db2.gz UUZIUGAFJRRULW-ZDUSSCGKSA-N 1 0 292.339 1.250 20 5 CDBDRO Cc1nn(C)c(N[C@@H](C)[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000050163947 727099611 /nfs/dbraw/zinc/09/96/11/727099611.db2.gz VQVZWQJRLMSYGQ-WPRPVWTQSA-N 1 0 267.333 1.437 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[C@H](C)[NH3+] ZINC000876518928 727101998 /nfs/dbraw/zinc/10/19/98/727101998.db2.gz MXGDXIZRJHDPMO-VIFPVBQESA-N 1 0 265.313 1.679 20 5 CDBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1(C)COC1 ZINC000859572223 727134443 /nfs/dbraw/zinc/13/44/43/727134443.db2.gz YIRWLSNADFULGW-CYBMUJFWSA-N 1 0 280.324 1.597 20 5 CDBDRO C[C@H]1CCC[N@@H+]1CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000853390129 727191225 /nfs/dbraw/zinc/19/12/25/727191225.db2.gz MFJNWJQTSWJOOP-VIFPVBQESA-N 1 0 266.301 1.592 20 5 CDBDRO CN(Cc1cccnc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000886839941 727241102 /nfs/dbraw/zinc/24/11/02/727241102.db2.gz PGXRXNYXACMVGM-UHFFFAOYSA-N 1 0 250.302 1.303 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](O)C(F)(F)F)cc1 ZINC000231202352 727245318 /nfs/dbraw/zinc/24/53/18/727245318.db2.gz GRYGUICLKPWKHW-UWVGGRQHSA-N 1 0 294.229 1.141 20 5 CDBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N)C1(C[NH3+])CCC1 ZINC000843486159 727274277 /nfs/dbraw/zinc/27/42/77/727274277.db2.gz YEWFREAPTCLGBN-UHFFFAOYSA-N 1 0 278.312 1.130 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886816538 727315617 /nfs/dbraw/zinc/31/56/17/727315617.db2.gz VKDSAJRQFOYIMJ-WCQYABFASA-N 1 0 277.324 1.991 20 5 CDBDRO C[C@]1(CO)CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886134674 727344101 /nfs/dbraw/zinc/34/41/01/727344101.db2.gz YKQOYFNESPYRSH-GFCCVEGCSA-N 1 0 251.286 1.337 20 5 CDBDRO [NH3+][C@@H](CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000831465679 727366058 /nfs/dbraw/zinc/36/60/58/727366058.db2.gz LNHLLFWLINYJBD-JTQLQIEISA-N 1 0 289.295 1.537 20 5 CDBDRO CCOC[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591972 727370786 /nfs/dbraw/zinc/37/07/86/727370786.db2.gz NIEDOYXQYZVSRP-DOMZBBRYSA-N 1 0 294.351 1.987 20 5 CDBDRO COC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815599300 727378615 /nfs/dbraw/zinc/37/86/15/727378615.db2.gz PWWYGXJAESHOCX-ONGXEEELSA-N 1 0 283.328 1.225 20 5 CDBDRO COC[C@@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000097987954 727386406 /nfs/dbraw/zinc/38/64/06/727386406.db2.gz GGHMUNFKWZQZOV-BXKDBHETSA-N 1 0 254.286 1.253 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000776578082 727396389 /nfs/dbraw/zinc/39/63/89/727396389.db2.gz DGBMBZPQSGZUPQ-CHWSQXEVSA-N 1 0 266.297 1.085 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000858811823 727429739 /nfs/dbraw/zinc/42/97/39/727429739.db2.gz GEFDRGPORXXYNJ-SNVBAGLBSA-N 1 0 285.731 1.727 20 5 CDBDRO Cc1nccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000158623737 727448651 /nfs/dbraw/zinc/44/86/51/727448651.db2.gz KWPFESYETNDKRD-CQSZACIVSA-N 1 0 288.307 1.516 20 5 CDBDRO Cc1cnc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000261603611 727448823 /nfs/dbraw/zinc/44/88/23/727448823.db2.gz QUTPWBZPHKJPMR-QWRGUYRKSA-N 1 0 262.313 1.486 20 5 CDBDRO CC[S@](=O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000132811753 727474432 /nfs/dbraw/zinc/47/44/32/727474432.db2.gz AVGVJZBCVMDTBC-GOSISDBHSA-N 1 0 270.354 1.761 20 5 CDBDRO COCCC1(C)C[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000809218012 727828876 /nfs/dbraw/zinc/82/88/76/727828876.db2.gz NIQQJKOONAQWOX-CQSZACIVSA-N 1 0 294.351 1.987 20 5 CDBDRO Cn1c(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000870976523 727830565 /nfs/dbraw/zinc/83/05/65/727830565.db2.gz HRYWJJKNCLZNPM-JGPRNRPPSA-N 1 0 292.339 1.194 20 5 CDBDRO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)cs1 ZINC000886580817 727918780 /nfs/dbraw/zinc/91/87/80/727918780.db2.gz ZBCMXDTUYYBBJA-OUAUKWLOSA-N 1 0 268.338 1.859 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000701543031 727960275 /nfs/dbraw/zinc/96/02/75/727960275.db2.gz IZGPLGYLUATPQE-ZETCQYMHSA-N 1 0 271.704 1.715 20 5 CDBDRO CC[NH+]1CCC(N(C)Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886030620 727982945 /nfs/dbraw/zinc/98/29/45/727982945.db2.gz PKOONAGSTILTDS-UHFFFAOYSA-N 1 0 278.356 1.906 20 5 CDBDRO COCCN(CCOC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000051372001 728003641 /nfs/dbraw/zinc/00/36/41/728003641.db2.gz WSFJGPLTMMVOKE-UHFFFAOYSA-N 1 0 286.303 1.829 20 5 CDBDRO CCCCN(C)CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819057185 728007214 /nfs/dbraw/zinc/00/72/14/728007214.db2.gz TZUUKLKQJTZOFP-HNNXBMFYSA-N 1 0 295.383 1.950 20 5 CDBDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886267779 728027215 /nfs/dbraw/zinc/02/72/15/728027215.db2.gz UXRBHSDQMVAFEM-JQWIXIFHSA-N 1 0 267.329 1.877 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCN(C3CC3)C2)cc1 ZINC000126722885 728042770 /nfs/dbraw/zinc/04/27/70/728042770.db2.gz JXKRMDJQGLISRZ-IUODEOHRSA-N 1 0 291.351 1.455 20 5 CDBDRO [NH3+]C[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000132599156 728060270 /nfs/dbraw/zinc/06/02/70/728060270.db2.gz PTABCJAXQNKDGS-MRVPVSSYSA-N 1 0 267.260 1.155 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CCC(=O)NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000089754206 728093564 /nfs/dbraw/zinc/09/35/64/728093564.db2.gz JFYGTWLRZAEOAG-GZMMTYOYSA-N 1 0 277.280 1.051 20 5 CDBDRO NC(=O)CC1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000817410655 728134612 /nfs/dbraw/zinc/13/46/12/728134612.db2.gz CPSHBZQCANCQRS-UHFFFAOYSA-N 1 0 297.742 1.993 20 5 CDBDRO C[C@@H]([NH2+]CCc1cnccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788799113 728167265 /nfs/dbraw/zinc/16/72/65/728167265.db2.gz RAZPJGWQIIURNG-SNVBAGLBSA-N 1 0 287.323 1.860 20 5 CDBDRO CC[NH+](CC)CCOC(=O)c1ccc([N+](=O)[O-])n1C ZINC000844258379 728234041 /nfs/dbraw/zinc/23/40/41/728234041.db2.gz SOPAFXOPVFDDGX-UHFFFAOYSA-N 1 0 269.301 1.432 20 5 CDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823247749 728297894 /nfs/dbraw/zinc/29/78/94/728297894.db2.gz RUFAKAPLGVWZDA-GFCCVEGCSA-N 1 0 285.388 1.813 20 5 CDBDRO [NH3+][C@@H](Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1)C1CC1 ZINC000843191018 728300030 /nfs/dbraw/zinc/30/00/30/728300030.db2.gz AFEDMWDISHEJTN-NSHDSACASA-N 1 0 289.295 1.243 20 5 CDBDRO COCCN(C)C(=[NH2+])NCc1cccc([N+](=O)[O-])c1 ZINC000871604043 728340914 /nfs/dbraw/zinc/34/09/14/728340914.db2.gz RBAUDFMOAIITLG-UHFFFAOYSA-N 1 0 266.301 1.197 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccnc(Cl)c2F)c1 ZINC000824012346 728374927 /nfs/dbraw/zinc/37/49/27/728374927.db2.gz WXOWHXAIJHTLMF-UHFFFAOYSA-N 1 0 299.693 1.769 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(CCO)COC1 ZINC001173215806 912296366 /nfs/dbraw/zinc/29/63/66/912296366.db2.gz FHGQFYPFMSFVIH-LLVKDONJSA-N 1 0 280.324 1.267 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(CO)CCOCC1 ZINC001173215153 912298863 /nfs/dbraw/zinc/29/88/63/912298863.db2.gz TVEIVCFAHRCTJR-GFCCVEGCSA-N 1 0 294.351 1.657 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CC(O)C1 ZINC001173218117 912302454 /nfs/dbraw/zinc/30/24/54/912302454.db2.gz OJYZLOGSESLNSE-JKDOVBDQSA-N 1 0 264.325 1.886 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCS(C)(=O)=O ZINC001173210020 912330244 /nfs/dbraw/zinc/33/02/44/912330244.db2.gz GQSAZTJHJYULSW-JTQLQIEISA-N 1 0 286.353 1.160 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](C[NH3+])C1 ZINC001173214160 912337614 /nfs/dbraw/zinc/33/76/14/912337614.db2.gz MLCOTAHEJSWUQQ-FZMZJTMJSA-N 1 0 279.340 1.185 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@](C)(O)C(F)F ZINC000698673800 912682167 /nfs/dbraw/zinc/68/21/67/912682167.db2.gz DFLYSPNRYKNHHK-LBPRGKRZSA-N 1 0 290.266 1.709 20 5 CDBDRO C[NH+]1C[C@@H]2CN(c3cc([N+](=O)[O-])cc(Cl)n3)C[C@H]2C1 ZINC000706255628 895215085 /nfs/dbraw/zinc/21/50/85/895215085.db2.gz OOIMHUUIBJXCMM-RKDXNWHRSA-N 1 0 282.731 1.641 20 5 CDBDRO COc1cnc(NC(=N)SCC[NH3+])cc1[N+](=O)[O-] ZINC001167914072 901026812 /nfs/dbraw/zinc/02/68/12/901026812.db2.gz RBLSNGWWEOTRRI-UHFFFAOYSA-N 1 0 271.302 1.037 20 5 CDBDRO COc1cc(NCC[NH+](C)C)cc([N+](=O)[O-])c1C ZINC001161670914 905040586 /nfs/dbraw/zinc/04/05/86/905040586.db2.gz GCMVMKIAPBAPTC-UHFFFAOYSA-N 1 0 253.302 1.885 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ncc(F)cc2[N+](=O)[O-])C1 ZINC001226751604 905571441 /nfs/dbraw/zinc/57/14/41/905571441.db2.gz MRMAKJOAUFHNSM-SNVBAGLBSA-N 1 0 269.276 1.990 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)Oc1nc[nH]c(=O)c1[N+](=O)[O-] ZINC001228143620 906964379 /nfs/dbraw/zinc/96/43/79/906964379.db2.gz OIGQKJDXBJDRTE-MRVPVSSYSA-N 1 0 270.289 1.200 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](OCc2ccc([N+](=O)[O-])nc2)C1 ZINC001224109393 909165417 /nfs/dbraw/zinc/16/54/17/909165417.db2.gz SELYSOBXTJVHJY-LBPRGKRZSA-N 1 0 265.313 1.989 20 5 CDBDRO [NH3+][C@H]1C[C@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000715085714 909801510 /nfs/dbraw/zinc/80/15/10/909801510.db2.gz LGZVSWPAUINWIJ-ZKCHVHJHSA-N 1 0 283.715 1.715 20 5 CDBDRO CC(C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000036949038 909963120 /nfs/dbraw/zinc/96/31/20/909963120.db2.gz CKZYDQFAIZRKOF-LLVKDONJSA-N 1 0 254.286 1.333 20 5 CDBDRO CCOC(=O)C[C@H](OCC[N+](C)(C)C)C(F)(F)F ZINC001224771928 910662603 /nfs/dbraw/zinc/66/26/03/910662603.db2.gz UQMZOEMSTSXYHW-VIFPVBQESA-N 1 0 272.287 1.593 20 5 CDBDRO NC(=[NH2+])c1nccn1-c1cnc(Cl)cc1[N+](=O)[O-] ZINC001168409774 911807045 /nfs/dbraw/zinc/80/70/45/911807045.db2.gz HUXGFOPLMIYBCY-UHFFFAOYSA-N 1 0 266.648 1.113 20 5 CDBDRO C[C@@H]1CC[C@H](C[NH3+])CN1c1ccc([N+](=O)[O-])c(N)n1 ZINC000094261966 915728478 /nfs/dbraw/zinc/72/84/78/915728478.db2.gz QQXOFFRGJOQRCD-RKDXNWHRSA-N 1 0 265.317 1.136 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700608432 922251179 /nfs/dbraw/zinc/25/11/79/922251179.db2.gz GYUNGGPQLXULBA-ZETCQYMHSA-N 1 0 271.704 1.573 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1N[C@H]1CCC[C@H]([NH3+])C1 ZINC001162396492 922501647 /nfs/dbraw/zinc/50/16/47/922501647.db2.gz JZWQULIZVOSRQD-IUCAKERBSA-N 1 0 266.301 1.680 20 5 CDBDRO CCOc1ccc(C(=O)N2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000158100727 922836850 /nfs/dbraw/zinc/83/68/50/922836850.db2.gz WQVFMVAAROAKNX-NSHDSACASA-N 1 0 293.323 1.557 20 5 CDBDRO CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)C[NH3+] ZINC000923293762 923715825 /nfs/dbraw/zinc/71/58/25/923715825.db2.gz AXUJEHWWJRFHCV-CYBMUJFWSA-N 1 0 281.356 1.545 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1nc(Cl)nc2n[nH]cc21 ZINC001231047434 925616124 /nfs/dbraw/zinc/61/61/24/925616124.db2.gz SQWXHKMZKIZDHC-ZETCQYMHSA-N 1 0 270.744 1.480 20 5 CDBDRO Cc1ccc(Cn2cc([C@@H](C)[NH3+])nn2)cc1[N+](=O)[O-] ZINC000714021692 926577047 /nfs/dbraw/zinc/57/70/47/926577047.db2.gz WDDUHPXHSYPPQF-SECBINFHSA-N 1 0 261.285 1.563 20 5 CDBDRO CC(C)C[C@@H](O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843068127 937109930 /nfs/dbraw/zinc/10/99/30/937109930.db2.gz FDLKTHFHLNTQJY-KGLIPLIRSA-N 1 0 282.340 1.625 20 5 CDBDRO CC[N+](C)(C)Cc1ccccc1NCCC(N)=O ZINC001168954249 927548189 /nfs/dbraw/zinc/54/81/89/927548189.db2.gz KZRNDUACORARRL-UHFFFAOYSA-O 1 0 250.366 1.570 20 5 CDBDRO Cc1c(F)cnc(-n2cc(CC[NH3+])cn2)c1[N+](=O)[O-] ZINC001168948705 927553564 /nfs/dbraw/zinc/55/35/64/927553564.db2.gz RDAXNCAWWSIEQJ-UHFFFAOYSA-N 1 0 265.248 1.124 20 5 CDBDRO COC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168976330 927563764 /nfs/dbraw/zinc/56/37/64/927563764.db2.gz CUBVCLZXQSELHT-MXWKQRLJSA-N 1 0 256.302 1.069 20 5 CDBDRO COC1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168977770 927566198 /nfs/dbraw/zinc/56/61/98/927566198.db2.gz LTSMWPDSGNHJQM-GMKTYKIGSA-N 1 0 256.346 1.979 20 5 CDBDRO CCOC(=O)[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168983426 927570431 /nfs/dbraw/zinc/57/04/31/927570431.db2.gz JYJBIXZOOTZBSQ-VOAKCMCISA-N 1 0 284.356 1.753 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C2CCCCC2)C1 ZINC001168982117 927571367 /nfs/dbraw/zinc/57/13/67/927571367.db2.gz IOHIIWUNGLGCIM-XBFCOCLRSA-N 1 0 270.373 1.963 20 5 CDBDRO CCOC(=O)CC(C)(C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168962855 927585166 /nfs/dbraw/zinc/58/51/66/927585166.db2.gz NEWHSIVYGRGULF-WDEREUQCSA-N 1 0 272.345 1.753 20 5 CDBDRO COc1cccc(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168965082 927587200 /nfs/dbraw/zinc/58/72/00/927587200.db2.gz XVJPOECFSSWULT-AAEUAGOBSA-N 1 0 279.340 1.668 20 5 CDBDRO CC(C)(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cnccn1 ZINC001168965947 927589347 /nfs/dbraw/zinc/58/93/47/927589347.db2.gz DXGNDIFGFVEWGG-RYUDHWBXSA-N 1 0 278.356 1.789 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCN2CCSCC2)C1 ZINC001168969558 927592273 /nfs/dbraw/zinc/59/22/73/927592273.db2.gz FFLXXSRYIXOCGK-VXGBXAGGSA-N 1 0 273.402 1.070 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)nc1OC ZINC001168994634 927601226 /nfs/dbraw/zinc/60/12/26/927601226.db2.gz QQBRBELIYXVDBG-WDEREUQCSA-N 1 0 295.339 1.634 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccnn2CCF)C1 ZINC001168997798 927603922 /nfs/dbraw/zinc/60/39/22/927603922.db2.gz FZYNPBWTBANJTK-WDEREUQCSA-N 1 0 270.308 1.388 20 5 CDBDRO C[C@@]1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@@H](O)CC1 ZINC001169001290 927606655 /nfs/dbraw/zinc/60/66/55/927606655.db2.gz FJUBSCPRUCQBFU-CYDGBPFRSA-N 1 0 256.346 1.715 20 5 CDBDRO [NH3+]CCCc1nccn1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007615 927611884 /nfs/dbraw/zinc/61/18/84/927611884.db2.gz OQTGUCKAELVGOV-GHMZBOCLSA-N 1 0 252.318 1.392 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCOC2CCCC2)C1 ZINC001168986957 927621887 /nfs/dbraw/zinc/62/18/87/927621887.db2.gz GOTJMQHAHJCXFF-NWDGAFQWSA-N 1 0 256.346 1.981 20 5 CDBDRO CC(C)(C(N)=O)C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169034925 927640285 /nfs/dbraw/zinc/64/02/85/927640285.db2.gz IQUPKGCIWBSXNL-AAEUAGOBSA-N 1 0 297.399 1.655 20 5 CDBDRO CC1(C(N)=O)CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169035240 927644586 /nfs/dbraw/zinc/64/45/86/927644586.db2.gz JPVRSMNERDONPV-WDEREUQCSA-N 1 0 269.345 1.019 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H](n2cncc2C2CC[NH2+]CC2)C1 ZINC001169036396 927645335 /nfs/dbraw/zinc/64/53/35/927645335.db2.gz FTJXFVDXQVMEBI-WCQYABFASA-N 1 0 278.356 1.968 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCCCC23COC3)C1 ZINC001169037254 927647357 /nfs/dbraw/zinc/64/73/57/927647357.db2.gz RLWNXAVLEYRTJR-NWDGAFQWSA-N 1 0 254.330 1.687 20 5 CDBDRO CCC1(O)CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169038176 927647673 /nfs/dbraw/zinc/64/76/73/927647673.db2.gz WLHWVCLGDWELQS-NEPJUHHUSA-N 1 0 256.346 1.669 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCc3ncncc3C2)C1 ZINC001169038284 927651629 /nfs/dbraw/zinc/65/16/29/927651629.db2.gz XROUDOBYJWQGBJ-ZYHUDNBSSA-N 1 0 262.313 1.280 20 5 CDBDRO COC(=O)[C@H](C(C)C)[N@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039977 927653257 /nfs/dbraw/zinc/65/32/57/927653257.db2.gz WNDWBEHPVZIBLT-WOPDTQHZSA-N 1 0 272.345 1.561 20 5 CDBDRO CC(C)CC(=O)N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169039802 927653272 /nfs/dbraw/zinc/65/32/72/927653272.db2.gz UBKYSVSUPVGNMW-UONOGXRCSA-N 1 0 297.399 1.622 20 5 CDBDRO CCO[C@@H]1C[C@H]2CN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[N@@H+]2C1 ZINC001169019204 927660187 /nfs/dbraw/zinc/66/01/87/927660187.db2.gz FPJFCUCAXAJRBY-APIJFGDWSA-N 1 0 297.399 1.227 20 5 CDBDRO O=C1OCCC12CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169046353 927665657 /nfs/dbraw/zinc/66/56/57/927665657.db2.gz KXOVXRSMGRNBCR-VXGBXAGGSA-N 1 0 282.340 1.461 20 5 CDBDRO CN1C(=O)CC[C@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@H]21 ZINC001169050614 927668391 /nfs/dbraw/zinc/66/83/91/927668391.db2.gz BYIVNGXZLGEHDF-XJFOESAGSA-N 1 0 295.383 1.375 20 5 CDBDRO CC(C)N1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1C ZINC001169053557 927672087 /nfs/dbraw/zinc/67/20/87/927672087.db2.gz IOWWBRKZZGARIM-MELADBBJSA-N 1 0 269.389 1.846 20 5 CDBDRO CCN1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]1C ZINC001169057490 927675627 /nfs/dbraw/zinc/67/56/27/927675627.db2.gz VZTRSEFLKMPLAR-JHJVBQTASA-N 1 0 255.362 1.458 20 5 CDBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1-n1nncc1C[NH3+] ZINC001169312409 927919399 /nfs/dbraw/zinc/91/93/99/927919399.db2.gz XRXXAUVNCRYMAF-UHFFFAOYSA-N 1 0 297.702 1.605 20 5 CDBDRO C[N@@H+]1CC[C@@](O)(CNCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783675091 937278162 /nfs/dbraw/zinc/27/81/62/937278162.db2.gz UXAYIEMPBYTBMQ-CYBMUJFWSA-N 1 0 299.758 1.404 20 5 CDBDRO CC/C=C/CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001112835659 929479512 /nfs/dbraw/zinc/47/95/12/929479512.db2.gz IJZMYTQSEANUOG-CDJBXZAQSA-N 1 0 281.356 1.152 20 5 CDBDRO O=[N+]([O-])c1cc2cc[nH]c2c(N[C@@H]2C[NH2+]C[C@H]2CO)c1 ZINC001170777015 929933414 /nfs/dbraw/zinc/93/34/14/929933414.db2.gz BZHGOXXVUSMCQA-JOYOIKCWSA-N 1 0 276.296 1.068 20 5 CDBDRO Cc1c(C)c(N[C@@H](C)CN2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001154753298 937582920 /nfs/dbraw/zinc/58/29/20/937582920.db2.gz ZHAZPDXUZNHSRV-JTQLQIEISA-N 1 0 293.371 1.312 20 5 CDBDRO [NH3+]Cc1ccc2cn(-c3cnc([N+](=O)[O-])cn3)nc2c1 ZINC001171325216 932683833 /nfs/dbraw/zinc/68/38/33/932683833.db2.gz ZJJYUWNAZAVBMA-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(N)n1 ZINC001155024007 937622904 /nfs/dbraw/zinc/62/29/04/937622904.db2.gz GMVYDQNJSGUHPG-NXEZZACHSA-N 1 0 279.344 1.620 20 5 CDBDRO Cc1ccc([C@H](C)N[C@@H]2C[NH2+]CCOC2)cc1[N+](=O)[O-] ZINC000925578067 932909730 /nfs/dbraw/zinc/90/97/30/932909730.db2.gz ZLNWIUNWCDBZIP-WCQYABFASA-N 1 0 279.340 1.542 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCC[C@H](F)C2)c1 ZINC001120515202 937805564 /nfs/dbraw/zinc/80/55/64/937805564.db2.gz GNMFTHNEKXCIQL-HOSYDEDBSA-N 1 0 286.307 1.023 20 5 CDBDRO COc1nc(NCC[C@H]2CCC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC001156381478 938360626 /nfs/dbraw/zinc/36/06/26/938360626.db2.gz RUEMQCOJNTXXCU-SNVBAGLBSA-N 1 0 295.343 1.537 20 5 CDBDRO Nc1cc(NCC[NH+]2CCSCC2)ncc1[N+](=O)[O-] ZINC001157043664 938449009 /nfs/dbraw/zinc/44/90/09/938449009.db2.gz SVKXFSXFPVPLSZ-UHFFFAOYSA-N 1 0 283.357 1.033 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCC(C)(C)C[NH+](C)C ZINC001157944386 938567394 /nfs/dbraw/zinc/56/73/94/938567394.db2.gz MKDCOUITQPQJEG-UHFFFAOYSA-N 1 0 282.344 1.536 20 5 CDBDRO [NH3+][C@H]1CCc2nn(-c3cc(Cl)ncc3[N+](=O)[O-])cc2C1 ZINC001157979971 938571013 /nfs/dbraw/zinc/57/10/13/938571013.db2.gz LPESRDFXXLXEPZ-QMMMGPOBSA-N 1 0 293.714 1.645 20 5 CDBDRO C[N@@H+]1CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])C2(CCCC2)C1 ZINC001158403780 938618963 /nfs/dbraw/zinc/61/89/63/938618963.db2.gz CGSQDRKMBICQFX-UHFFFAOYSA-N 1 0 292.339 1.293 20 5 CDBDRO Cc1cnc(N[C@@H](C)[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC001159489963 938732476 /nfs/dbraw/zinc/73/24/76/938732476.db2.gz SGKOIBGASJBWTL-GXSJLCMTSA-N 1 0 266.301 1.087 20 5 CDBDRO CC(C)[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160090843 938768661 /nfs/dbraw/zinc/76/86/61/938768661.db2.gz RHEGIJRHQPTSMC-CHWSQXEVSA-N 1 0 281.356 1.198 20 5 CDBDRO COc1c(F)cc(NC[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC001162478174 939065440 /nfs/dbraw/zinc/06/54/40/939065440.db2.gz XBLRELCLKRLHQS-CBAPKCEASA-N 1 0 287.266 1.854 20 5 CDBDRO [NH3+]Cc1ccnn1-c1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001162592675 939097546 /nfs/dbraw/zinc/09/75/46/939097546.db2.gz MANUFAZAEDCJMR-UHFFFAOYSA-N 1 0 287.254 1.927 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)n1 ZINC001162791638 939141174 /nfs/dbraw/zinc/14/11/74/939141174.db2.gz CWRITEYNTMUPMK-FKTZTGRPSA-N 1 0 280.715 1.829 20 5 CDBDRO O=[N+]([O-])c1cc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)cnc1F ZINC001163176792 939220276 /nfs/dbraw/zinc/22/02/76/939220276.db2.gz XAYOISVZXAXAFI-HLUHBDAQSA-N 1 0 296.302 1.165 20 5 CDBDRO [NH3+]C1(CNc2cc([N+](=O)[O-])c3cc[nH]c3n2)CCC1 ZINC001163326528 939248145 /nfs/dbraw/zinc/24/81/45/939248145.db2.gz FGLWRZSZDCCIPB-UHFFFAOYSA-N 1 0 261.285 1.764 20 5 CDBDRO O=C(CCCF)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001164058053 939402019 /nfs/dbraw/zinc/40/20/19/939402019.db2.gz WMPUMKLOZPKIIA-UHFFFAOYSA-N 1 0 297.330 1.940 20 5 CDBDRO C[C@@]1(C[NH3+])CCCN(c2cccc([N+](=O)[O-])n2)CC1 ZINC001164241899 939439402 /nfs/dbraw/zinc/43/94/02/939439402.db2.gz GOQPLVWEKIWPDZ-CYBMUJFWSA-N 1 0 264.329 1.945 20 5 CDBDRO C[NH+]1C[C@H]2CN(c3cc(Cl)ncc3[N+](=O)[O-])C[C@@H]2C1 ZINC001165149407 939519118 /nfs/dbraw/zinc/51/91/18/939519118.db2.gz PFDLFPPBWOPJCR-IUCAKERBSA-N 1 0 282.731 1.641 20 5 CDBDRO COc1cnc(N2CCC(C3C[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC001165410592 939560618 /nfs/dbraw/zinc/56/06/18/939560618.db2.gz JWZVGHKNIDJXPX-UHFFFAOYSA-N 1 0 292.339 1.434 20 5 CDBDRO COCc1nn(-c2ncc([N+](=O)[O-])cc2C)c2c1C[NH2+]C2 ZINC001165632097 939573048 /nfs/dbraw/zinc/57/30/48/939573048.db2.gz NALSJDDIINLGTJ-UHFFFAOYSA-N 1 0 289.295 1.234 20 5 CDBDRO CN(C[C@@H]1CC[NH2+]C1)c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001166956065 939659261 /nfs/dbraw/zinc/65/92/61/939659261.db2.gz UDZUNZWUHDHBNQ-MRVPVSSYSA-N 1 0 270.720 1.689 20 5 CDBDRO CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000165892345 940311923 /nfs/dbraw/zinc/31/19/23/940311923.db2.gz QFWWRWJPYNRLBJ-GFCCVEGCSA-N 1 0 295.314 1.948 20 5 CDBDRO Nc1nc(NCC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000166907160 940670922 /nfs/dbraw/zinc/67/09/22/940670922.db2.gz MXLBVMJZQITXMR-MRVPVSSYSA-N 1 0 251.290 1.126 20 5 CDBDRO C[C@@]1([NH3+])CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000405711363 940994799 /nfs/dbraw/zinc/99/47/99/940994799.db2.gz ADJRUTDZIZTQCM-CYBMUJFWSA-N 1 0 263.297 1.087 20 5 CDBDRO COC(=O)c1c(CO[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC001217859543 941024168 /nfs/dbraw/zinc/02/41/68/941024168.db2.gz DHLCCQQBEQEOMB-NSHDSACASA-N 1 0 294.307 1.650 20 5 CDBDRO O=[N+]([O-])C[C@H](OC[C@H]1CCC[NH2+]C1)c1cccnc1 ZINC001217867075 941025163 /nfs/dbraw/zinc/02/51/63/941025163.db2.gz XPVHTOHMPWTNDG-AAEUAGOBSA-N 1 0 265.313 1.416 20 5 CDBDRO Nc1ccc(O[C@@H]2C[NH2+]CCC[C@H]2F)cc1[N+](=O)[O-] ZINC001217986103 941033211 /nfs/dbraw/zinc/03/32/11/941033211.db2.gz SMLKMSXNQKPGEB-BXKDBHETSA-N 1 0 269.276 1.646 20 5 CDBDRO O=[N+]([O-])c1ccc(O[C@@H]2CN3C[C@H]2[NH2+]CC3)c2ccccc21 ZINC001218108320 941039412 /nfs/dbraw/zinc/03/94/12/941039412.db2.gz BDPGLRFBBBBBJQ-CZUORRHYSA-N 1 0 299.330 1.783 20 5 CDBDRO COCc1cccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001223935073 941707830 /nfs/dbraw/zinc/70/78/30/941707830.db2.gz PTTMMQBRRYNUMD-OAHLLOKOSA-N 1 0 296.387 1.333 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1cccc2ocnc21 ZINC001224050525 941716889 /nfs/dbraw/zinc/71/68/89/941716889.db2.gz WLIVBIJWANAXOI-GFCCVEGCSA-N 1 0 293.343 1.328 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCc1ccc(-n2nccn2)cc1 ZINC001224196606 941730049 /nfs/dbraw/zinc/73/00/49/941730049.db2.gz ZIFGGQKBXOTIAO-ZDUSSCGKSA-N 1 0 275.376 1.879 20 5 CDBDRO CCOC(=O)[C@@H]1CCC[C@@H]1OCCC[N+](C)(C)C ZINC001224617967 941776666 /nfs/dbraw/zinc/77/66/66/941776666.db2.gz AMHBUEKMIUJPTM-OLZOCXBDSA-N 1 0 258.382 1.831 20 5 CDBDRO COc1ccc(O[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001225767771 941911775 /nfs/dbraw/zinc/91/17/75/941911775.db2.gz UIGJDLFVSWGWDZ-JTQLQIEISA-N 1 0 252.270 1.686 20 5 CDBDRO COC(=O)c1cc(O)ccc1O[C@H](C)C[N+](C)(C)C ZINC001225972887 941935171 /nfs/dbraw/zinc/93/51/71/941935171.db2.gz GRFPOMOCXRUMNQ-SNVBAGLBSA-O 1 0 268.333 1.652 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])nc2)C1 ZINC001226710583 942054000 /nfs/dbraw/zinc/05/40/00/942054000.db2.gz SUQVNKKDOAYMAQ-LLVKDONJSA-N 1 0 251.286 1.851 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2ncc(F)cc2[N+](=O)[O-])C1 ZINC001226755789 942064106 /nfs/dbraw/zinc/06/41/06/942064106.db2.gz MFKDYKKMRZQRNI-SECBINFHSA-N 1 0 255.249 1.602 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Br)ncn1 ZINC001227038388 942119513 /nfs/dbraw/zinc/11/95/13/942119513.db2.gz ZLIRXKKXZOCVFV-QMMMGPOBSA-N 1 0 275.170 1.713 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001227217367 942150824 /nfs/dbraw/zinc/15/08/24/942150824.db2.gz WHILCCOYZRLWEJ-SNVBAGLBSA-N 1 0 289.291 1.932 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001227465786 942179342 /nfs/dbraw/zinc/17/93/42/942179342.db2.gz JKYBBWRKHJFSOB-SECBINFHSA-N 1 0 284.292 1.977 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Br)nn1 ZINC001228283711 942290042 /nfs/dbraw/zinc/29/00/42/942290042.db2.gz ZQNMHBZGEUSWCY-MRVPVSSYSA-N 1 0 275.170 1.713 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001229399539 942465274 /nfs/dbraw/zinc/46/52/74/942465274.db2.gz LWCZAAOPDMKIRL-SNVBAGLBSA-N 1 0 274.280 1.621 20 5 CDBDRO O=[N+]([O-])c1cccc(O[C@@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001233573807 943620551 /nfs/dbraw/zinc/62/05/51/943620551.db2.gz CGWAUHIIHAGEGO-GFCCVEGCSA-N 1 0 293.279 1.976 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](Oc2nc(OC)ccc2[N+](=O)[O-])C1 ZINC001234881671 943967243 /nfs/dbraw/zinc/96/72/43/943967243.db2.gz RXBGWWRIPKEVNR-SNVBAGLBSA-N 1 0 281.312 1.862 20 5 CDBDRO CC1(C)OC[C@H](C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)O1 ZINC001262359797 946606178 /nfs/dbraw/zinc/60/61/78/946606178.db2.gz KFKCECXVQDPNSV-ZDUSSCGKSA-N 1 0 296.323 1.715 20 5 CDBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC001262567649 946719175 /nfs/dbraw/zinc/71/91/75/946719175.db2.gz YVJYEIQNUYOEQO-JQWIXIFHSA-N 1 0 280.324 1.723 20 5 CDBDRO CCC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(N)=O ZINC001254542102 947519091 /nfs/dbraw/zinc/51/90/91/947519091.db2.gz LWDKGUIUDYLUJL-JQWIXIFHSA-N 1 0 279.340 1.769 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccno1)C2 ZINC001254565630 947528408 /nfs/dbraw/zinc/52/84/08/947528408.db2.gz FANDDBQXQRRHOR-NSHDSACASA-N 1 0 259.265 1.840 20 5 CDBDRO O=C1C[C@H](C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1 ZINC001254569520 947530189 /nfs/dbraw/zinc/53/01/89/947530189.db2.gz ZAOBLDGGQVIXGV-MFKMUULPSA-N 1 0 289.335 1.178 20 5 CDBDRO CC(C)(CCO)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581073 947537542 /nfs/dbraw/zinc/53/75/42/947537542.db2.gz IRGGCLDNCBNRFR-LBPRGKRZSA-N 1 0 264.325 1.813 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H](CO)c1ccccn1)C2 ZINC001254580931 947538626 /nfs/dbraw/zinc/53/86/26/947538626.db2.gz IEXMHLCYFXRDOM-BBRMVZONSA-N 1 0 299.330 1.780 20 5 CDBDRO [NH3+]CCc1ncn([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254584134 947540902 /nfs/dbraw/zinc/54/09/02/947540902.db2.gz PYOLQZQYGAWGRK-LBPRGKRZSA-N 1 0 273.296 1.027 20 5 CDBDRO NC(=O)C1([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCCC1 ZINC001254585397 947541169 /nfs/dbraw/zinc/54/11/69/947541169.db2.gz WMPXOVDREWPWDG-LBPRGKRZSA-N 1 0 289.335 1.450 20 5 CDBDRO CN1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1=O ZINC001254597992 947546064 /nfs/dbraw/zinc/54/60/64/947546064.db2.gz FXYHDVLDKYIHOQ-AWEZNQCLSA-N 1 0 289.335 1.226 20 5 CDBDRO C[C@@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@H]1O ZINC001254593961 947546497 /nfs/dbraw/zinc/54/64/97/947546497.db2.gz OKACKFJKESWSKR-VCTAVGKDSA-N 1 0 276.336 1.765 20 5 CDBDRO C[N@H+]([C@H]1CCOC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598999 947547816 /nfs/dbraw/zinc/54/78/16/947547816.db2.gz JDTXXELGYWIBHH-KBPBESRZSA-N 1 0 262.309 1.783 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC(O)CC1)C2 ZINC001254600257 947550327 /nfs/dbraw/zinc/55/03/27/947550327.db2.gz ROOUYSPRYIZIKP-CYBMUJFWSA-N 1 0 262.309 1.519 20 5 CDBDRO C[C@@H]1CN(C)CC[C@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601080 947550832 /nfs/dbraw/zinc/55/08/32/947550832.db2.gz YPIPJHFHVRMTLN-DJSGYFEHSA-N 1 0 289.379 1.992 20 5 CDBDRO COC(=O)[C@H](C)N(C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603607 947554081 /nfs/dbraw/zinc/55/40/81/947554081.db2.gz OQTSXDWGTDKBNE-TVQRCGJNSA-N 1 0 278.308 1.555 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CC[C@H]1F ZINC001246495839 948208927 /nfs/dbraw/zinc/20/89/27/948208927.db2.gz GZCPRFPFHGTNED-CYZMBNFOSA-N 1 0 281.331 1.815 20 5 CDBDRO [NH3+][C@@H]1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC(F)(F)C1 ZINC001246573687 948296790 /nfs/dbraw/zinc/29/67/90/948296790.db2.gz LQQMGVCOQIHEQY-AAEUAGOBSA-N 1 0 297.305 1.730 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC1=CC[NH2+]CC1 ZINC001326287760 954302794 /nfs/dbraw/zinc/30/27/94/954302794.db2.gz KOIGOESVVJRNCY-UHFFFAOYSA-N 1 0 290.323 1.286 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CCCC[NH3+] ZINC001326324557 954319685 /nfs/dbraw/zinc/31/96/85/954319685.db2.gz CLYYWRMXNWUYRX-JTQLQIEISA-N 1 0 294.355 1.884 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[C@H](C)[NH2+]C ZINC001327087632 954697494 /nfs/dbraw/zinc/69/74/94/954697494.db2.gz QMVYZUURMADMMT-JTQLQIEISA-N 1 0 295.339 1.721 20 5 CDBDRO [NH3+]Cc1nccnc1NCCc1cccc([N+](=O)[O-])c1 ZINC001307085361 956359901 /nfs/dbraw/zinc/35/99/01/956359901.db2.gz DPXFMTFEFYWHDB-UHFFFAOYSA-N 1 0 273.296 1.498 20 5 CDBDRO CCc1ccc(C(=O)N(CC)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC001332094279 957431243 /nfs/dbraw/zinc/43/12/43/957431243.db2.gz GCVBYSIBFMXXOC-ZDUSSCGKSA-N 1 0 291.351 1.981 20 5 CDBDRO COCC(COC)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001333003174 958009645 /nfs/dbraw/zinc/00/96/45/958009645.db2.gz AWZBTMUTVXOOAI-UHFFFAOYSA-N 1 0 298.343 1.090 20 5 CDBDRO CCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC001333273499 958203125 /nfs/dbraw/zinc/20/31/25/958203125.db2.gz RBBGQNBROLWIJA-LBPRGKRZSA-N 1 0 293.323 1.184 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCN2CC=CCC2)c1 ZINC001335382411 959758249 /nfs/dbraw/zinc/75/82/49/959758249.db2.gz QILBOFVPUHWBRW-HNNXBMFYSA-N 1 0 291.351 1.480 20 5 CDBDRO CC1=NO[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001335426287 959795123 /nfs/dbraw/zinc/79/51/23/959795123.db2.gz OOYHXQGHBVAUTM-QWHCGFSZSA-N 1 0 279.296 1.383 20 5 CDBDRO CC(C)(C)[N@@H+]1CCCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001337757557 961405991 /nfs/dbraw/zinc/40/59/91/961405991.db2.gz YVMDTXLRNYFNPO-UHFFFAOYSA-N 1 0 293.371 1.883 20 5 CDBDRO C[C@@H](NCC[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001337776690 961418203 /nfs/dbraw/zinc/41/82/03/961418203.db2.gz CXBBBMYJWAEYST-HIFRSBDPSA-N 1 0 277.368 1.763 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@H](O)C[NH+]1CCCC1)C2 ZINC001339643360 962463075 /nfs/dbraw/zinc/46/30/75/962463075.db2.gz ORXAIMQVRDFSKP-OAHLLOKOSA-N 1 0 291.351 1.367 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC001345633428 964766460 /nfs/dbraw/zinc/76/64/60/964766460.db2.gz IIUVPYGSABNRGB-SYQHCUMBSA-N 1 0 278.308 1.538 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])CCC1 ZINC001349403059 966337054 /nfs/dbraw/zinc/33/70/54/966337054.db2.gz HTCPCFIGSBCNLO-UHFFFAOYSA-N 1 0 278.312 1.248 20 5 CDBDRO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC001358203909 969708331 /nfs/dbraw/zinc/70/83/31/969708331.db2.gz MEIJGEOVBWZYPW-UKRRQHHQSA-N 1 0 289.335 1.857 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001521844259 970365121 /nfs/dbraw/zinc/36/51/21/970365121.db2.gz OQEDEQHJANYIFL-JTQLQIEISA-N 1 0 280.328 1.195 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCCC[NH2+]1 ZINC001523524687 970728285 /nfs/dbraw/zinc/72/82/85/970728285.db2.gz DWBVBOHZLMOVHQ-ZDUSSCGKSA-N 1 0 291.351 1.786 20 5 CDBDRO Cc1cc(NC[C@@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000092027570 1174352478 /nfs/dbraw/zinc/35/24/78/1174352478.db2.gz HZVXMCQYGLWZNG-SNVBAGLBSA-N 1 0 250.302 1.710 20 5 CDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC001575543126 1171197351 /nfs/dbraw/zinc/19/73/51/1171197351.db2.gz VKROSSVONUAQQL-VIFPVBQESA-N 1 0 280.328 1.280 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000601185700 342489288 /nfs/dbraw/zinc/48/92/88/342489288.db2.gz ZAMPQDYMTLKOIG-NEPJUHHUSA-N 1 0 276.340 1.686 20 5 CDBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1(C)C ZINC000601186738 342489378 /nfs/dbraw/zinc/48/93/78/342489378.db2.gz YPFTVPMGAXEZDG-UHFFFAOYSA-N 1 0 250.302 1.520 20 5 CDBDRO C[NH+](C)C[C@H](CO)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000589101536 342496850 /nfs/dbraw/zinc/49/68/50/342496850.db2.gz IALAMQYFNMTDSX-SECBINFHSA-N 1 0 257.265 1.068 20 5 CDBDRO C[NH+](C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1F ZINC000589102103 342496974 /nfs/dbraw/zinc/49/69/74/342496974.db2.gz ZSRVCBZAHMXUNZ-QMMMGPOBSA-N 1 0 257.265 1.068 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000611528422 346813018 /nfs/dbraw/zinc/81/30/18/346813018.db2.gz PKDORIQCUXSVHQ-SNVBAGLBSA-N 1 0 292.339 1.201 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCSC[C@H]2C2CC2)c1 ZINC000590758663 342588495 /nfs/dbraw/zinc/58/84/95/342588495.db2.gz CXEWSJPZCHWWLG-LBPRGKRZSA-N 1 0 282.369 1.619 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)cn1 ZINC000047702610 342107292 /nfs/dbraw/zinc/10/72/92/342107292.db2.gz IYXQGFKHHGGLHV-LBPRGKRZSA-N 1 0 292.339 1.148 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000591271697 342623613 /nfs/dbraw/zinc/62/36/13/342623613.db2.gz XBCTVZNETUQRKZ-PHIMTYICSA-N 1 0 290.323 1.586 20 5 CDBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2C[C@H](F)C[NH2+]2)c(F)c1 ZINC000591281607 342624083 /nfs/dbraw/zinc/62/40/83/342624083.db2.gz DNXQATWISGIAGM-UWVGGRQHSA-N 1 0 271.267 1.524 20 5 CDBDRO C[C@@H](CC[NH3+])NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591278222 342624117 /nfs/dbraw/zinc/62/41/17/342624117.db2.gz YXXRWCRNQOECKG-VIFPVBQESA-N 1 0 281.312 1.193 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([C@H]3CC[NH2+]C3)CC2)nc1 ZINC000591442898 342632480 /nfs/dbraw/zinc/63/24/80/342632480.db2.gz KUZHJRQBQPQXDC-LBPRGKRZSA-N 1 0 276.340 1.816 20 5 CDBDRO CSC[C@@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000591744598 342645172 /nfs/dbraw/zinc/64/51/72/342645172.db2.gz IOWHBRRDRJVKRR-NSHDSACASA-N 1 0 270.354 1.451 20 5 CDBDRO COc1ccc(C[NH2+]C[C@@]2(C)CCC(=O)N2)cc1[N+](=O)[O-] ZINC000453583837 252327991 /nfs/dbraw/zinc/32/79/91/252327991.db2.gz DJYSCBBGDGDYDO-CQSZACIVSA-N 1 0 293.323 1.362 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CSCC1CC[NH2+]CC1 ZINC000592174913 342679034 /nfs/dbraw/zinc/67/90/34/342679034.db2.gz PLGLNFCLABSSGU-UHFFFAOYSA-N 1 0 270.358 1.561 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000057718581 342151878 /nfs/dbraw/zinc/15/18/78/342151878.db2.gz KTXSUBOBSOVRGE-JTQLQIEISA-N 1 0 277.324 1.807 20 5 CDBDRO COc1cc(C[NH2+][C@H]2CO[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000592379619 342687103 /nfs/dbraw/zinc/68/71/03/342687103.db2.gz RMTOEKGZCAPTCT-WCBMZHEXSA-N 1 0 282.296 1.576 20 5 CDBDRO CCc1[nH]nc(-c2nc([C@H]3CCC[NH2+]3)no2)c1[N+](=O)[O-] ZINC000592356873 342688451 /nfs/dbraw/zinc/68/84/51/342688451.db2.gz JXHDSGSBABMFPJ-SSDOTTSWSA-N 1 0 278.272 1.355 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H]3CC[NH2+]C3)C2)nc1 ZINC000592984100 342751375 /nfs/dbraw/zinc/75/13/75/342751375.db2.gz HSDBRALCCPNIEZ-NWDGAFQWSA-N 1 0 291.355 1.086 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593384799 342793189 /nfs/dbraw/zinc/79/31/89/342793189.db2.gz TVWDMUUNIROFOT-UHFFFAOYSA-N 1 0 295.314 1.441 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+](C)C ZINC000289928277 361904173 /nfs/dbraw/zinc/90/41/73/361904173.db2.gz WGOHBBZCXQJUNC-UHFFFAOYSA-N 1 0 280.328 1.840 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H](CO)CCF ZINC000593690189 342823474 /nfs/dbraw/zinc/82/34/74/342823474.db2.gz UQAMFJYQANBLIZ-OGOUPESXSA-N 1 0 268.288 1.918 20 5 CDBDRO Cc1ccc(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593680138 342826218 /nfs/dbraw/zinc/82/62/18/342826218.db2.gz QYJLRYCMWDJEAL-CQSZACIVSA-N 1 0 291.351 1.154 20 5 CDBDRO C[C@@H]([NH2+]C[C@H]1COCCN1)c1cccc([N+](=O)[O-])c1 ZINC000600712233 342243873 /nfs/dbraw/zinc/24/38/73/342243873.db2.gz VCUKMKAEWPNIKE-PWSUYJOCSA-N 1 0 265.313 1.234 20 5 CDBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1c[nH]nc1[N+](=O)[O-] ZINC000594419790 342903110 /nfs/dbraw/zinc/90/31/10/342903110.db2.gz RLQRULLASIAIHI-GHMZBOCLSA-N 1 0 293.327 1.065 20 5 CDBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1[nH]ncc1[N+](=O)[O-] ZINC000594420482 342903229 /nfs/dbraw/zinc/90/32/29/342903229.db2.gz VDTNDPJSKWLWDK-VHSXEESVSA-N 1 0 293.327 1.065 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000524300492 539106977 /nfs/dbraw/zinc/10/69/77/539106977.db2.gz RYEPPBPYLUSTSP-GFCCVEGCSA-N 1 0 277.324 1.505 20 5 CDBDRO CC(C)Oc1nc(NC[C@@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000594548799 342916220 /nfs/dbraw/zinc/91/62/20/342916220.db2.gz FFUFCNIRQGLDMF-NSHDSACASA-N 1 0 294.355 1.563 20 5 CDBDRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C2 ZINC000594517109 342917032 /nfs/dbraw/zinc/91/70/32/342917032.db2.gz VHDNUXIMSHHSTN-SECBINFHSA-N 1 0 293.352 1.432 20 5 CDBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000274134166 539101467 /nfs/dbraw/zinc/10/14/67/539101467.db2.gz YQYLWWGVONOOCA-CABZTGNLSA-N 1 0 293.323 1.208 20 5 CDBDRO [NH3+][C@H](c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@@H]1CCCO1 ZINC000594640783 342939138 /nfs/dbraw/zinc/93/91/38/342939138.db2.gz MZEKNADIFJUDIS-QWHCGFSZSA-N 1 0 289.295 1.354 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000108335995 349735591 /nfs/dbraw/zinc/73/55/91/349735591.db2.gz BFBATIVMMKVGBS-LLVKDONJSA-N 1 0 277.324 1.666 20 5 CDBDRO CSCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000534812933 282209882 /nfs/dbraw/zinc/20/98/82/282209882.db2.gz BWDVSXWOAOFPGY-UHFFFAOYSA-N 1 0 282.369 1.475 20 5 CDBDRO CC[NH+](CC)[C@@H]1CCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595330513 343036908 /nfs/dbraw/zinc/03/69/08/343036908.db2.gz KHZUWLLOBIVABU-LLVKDONJSA-N 1 0 282.344 1.807 20 5 CDBDRO Cc1noc(C[NH2+][C@H](CCO)C(C)(C)C)c1[N+](=O)[O-] ZINC000595425386 343056139 /nfs/dbraw/zinc/05/61/39/343056139.db2.gz RAYFUYLKVRIQBB-SNVBAGLBSA-N 1 0 271.317 1.778 20 5 CDBDRO CCC(CC)(CCO)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595475334 343063958 /nfs/dbraw/zinc/06/39/58/343063958.db2.gz IIAKSZZNJHTBJU-UHFFFAOYSA-N 1 0 271.317 1.922 20 5 CDBDRO Cc1noc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000595504440 343079566 /nfs/dbraw/zinc/07/95/66/343079566.db2.gz JHFSXPZRYBBEKJ-AWEZNQCLSA-N 1 0 294.355 1.809 20 5 CDBDRO CC[C@H]1C[N@H+](CC)CCN1Cc1onc(C)c1[N+](=O)[O-] ZINC000595520331 343087982 /nfs/dbraw/zinc/08/79/82/343087982.db2.gz KEYXURKACJLVDF-NSHDSACASA-N 1 0 282.344 1.807 20 5 CDBDRO Cc1noc(C[N@H+]2CCC[C@H](C)[C@@H]2CCO)c1[N+](=O)[O-] ZINC000595690140 343132547 /nfs/dbraw/zinc/13/25/47/343132547.db2.gz VNLVNNPJLMAKJK-ONGXEEELSA-N 1 0 283.328 1.874 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC1=CCCOC1 ZINC000595751040 343152229 /nfs/dbraw/zinc/15/22/29/343152229.db2.gz FWLPPJYSJNNQHW-UHFFFAOYSA-N 1 0 266.301 1.070 20 5 CDBDRO Cc1c([C@@H](C)[NH2+][C@H]2CC(=O)N(C)C2)cccc1[N+](=O)[O-] ZINC000268812990 365738816 /nfs/dbraw/zinc/73/88/16/365738816.db2.gz HOQNPRKLUVOZGM-MNOVXSKESA-N 1 0 277.324 1.785 20 5 CDBDRO [NH3+]C1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000595942777 343204335 /nfs/dbraw/zinc/20/43/35/343204335.db2.gz YRDXJSONGSIWQW-UHFFFAOYSA-N 1 0 277.324 1.525 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(C)(C)[NH3+] ZINC000595944145 343204870 /nfs/dbraw/zinc/20/48/70/343204870.db2.gz KRHDIGFXKUHOPG-UHFFFAOYSA-N 1 0 265.313 1.713 20 5 CDBDRO C[NH2+]C[C@H](C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000596031784 343217285 /nfs/dbraw/zinc/21/72/85/343217285.db2.gz GACBDXFYYSYBAB-VIFPVBQESA-N 1 0 260.297 1.585 20 5 CDBDRO O=[N+]([O-])c1cncc(Cl)c1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000596015876 343219191 /nfs/dbraw/zinc/21/91/91/343219191.db2.gz IFRQXDNESRPHQF-SCZZXKLOSA-N 1 0 282.731 1.831 20 5 CDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC(C)(C)[NH3+] ZINC000595901020 343186633 /nfs/dbraw/zinc/18/66/33/343186633.db2.gz ACRSMKMUTMDVMR-SNVBAGLBSA-N 1 0 294.355 1.591 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1CC1(C)C ZINC000595910222 343189461 /nfs/dbraw/zinc/18/94/61/343189461.db2.gz RSWKBTYIYZWXLN-SNVBAGLBSA-N 1 0 252.318 1.769 20 5 CDBDRO C[NH2+]C[C@@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000596104590 343228140 /nfs/dbraw/zinc/22/81/40/343228140.db2.gz GVGAIMIQPIWVPU-SECBINFHSA-N 1 0 253.302 1.301 20 5 CDBDRO CCCC[N@H+](C)CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596124314 343236356 /nfs/dbraw/zinc/23/63/56/343236356.db2.gz VITUPUQARFWPCM-UHFFFAOYSA-N 1 0 268.317 1.839 20 5 CDBDRO Nc1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)nc1[N+](=O)[O-] ZINC000596143101 343242594 /nfs/dbraw/zinc/24/25/94/343242594.db2.gz YAIYXFHCEAJVDI-JTQLQIEISA-N 1 0 275.312 1.023 20 5 CDBDRO C[NH+](C)C[C@H](CO)Nc1c(F)cccc1[N+](=O)[O-] ZINC000596243388 343285489 /nfs/dbraw/zinc/28/54/89/343285489.db2.gz LEQBUPIAFFOKRM-MRVPVSSYSA-N 1 0 257.265 1.068 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000596246636 343286182 /nfs/dbraw/zinc/28/61/82/343286182.db2.gz XLBKEMCWHZVZKU-KOLCDFICSA-N 1 0 281.360 1.648 20 5 CDBDRO Cn1ccnc1[C@@H]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596174241 343260209 /nfs/dbraw/zinc/26/02/09/343260209.db2.gz JHQPUVLRQRFZSF-SECBINFHSA-N 1 0 289.295 1.423 20 5 CDBDRO C[C@H](CCNc1ncnc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000596433824 343320179 /nfs/dbraw/zinc/32/01/79/343320179.db2.gz ULZFYDNMFNCROC-SNVBAGLBSA-N 1 0 289.339 1.712 20 5 CDBDRO Cc1c([C@@H](C)[NH2+]CC2(CO)COC2)cccc1[N+](=O)[O-] ZINC000090606632 342396625 /nfs/dbraw/zinc/39/66/25/342396625.db2.gz YYPQNVRBBOTPQO-LLVKDONJSA-N 1 0 280.324 1.563 20 5 CDBDRO COc1ccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000107578065 342396718 /nfs/dbraw/zinc/39/67/18/342396718.db2.gz SJRMGDCRIVSVOY-RYUDHWBXSA-N 1 0 277.324 1.255 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000066958952 343380499 /nfs/dbraw/zinc/38/04/99/343380499.db2.gz GHQYOKAUBDKPEY-UHFFFAOYSA-N 1 0 281.312 1.285 20 5 CDBDRO C[NH+](C)CC1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000597705205 343604612 /nfs/dbraw/zinc/60/46/12/343604612.db2.gz ALSRSOZFUPDTPP-UHFFFAOYSA-N 1 0 295.314 1.296 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000597854972 343646966 /nfs/dbraw/zinc/64/69/66/343646966.db2.gz OBRAWUSSIUWPJV-SNVBAGLBSA-N 1 0 294.355 1.773 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000597925729 343663483 /nfs/dbraw/zinc/66/34/83/343663483.db2.gz QLTNPELHSCWZRL-SECBINFHSA-N 1 0 281.312 1.790 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000598668651 343871717 /nfs/dbraw/zinc/87/17/17/343871717.db2.gz CXSQXYFIIREDAA-DOMZBBRYSA-N 1 0 289.335 1.857 20 5 CDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1ccc(F)cc1[N+](=O)[O-])C2 ZINC000598670299 343872492 /nfs/dbraw/zinc/87/24/92/343872492.db2.gz UCHHNLQGJXYVFA-XPTSAGLGSA-N 1 0 293.298 1.687 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598914456 343919520 /nfs/dbraw/zinc/91/95/20/343919520.db2.gz FFAKWVLSLUMEIQ-ZCFIWIBFSA-N 1 0 256.237 1.203 20 5 CDBDRO CNC(=O)c1ccc(NCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000166893227 362310342 /nfs/dbraw/zinc/31/03/42/362310342.db2.gz CNPITBRNLSZNCS-LLVKDONJSA-N 1 0 292.339 1.508 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599654254 344104000 /nfs/dbraw/zinc/10/40/00/344104000.db2.gz FKXAXOHIWPCLIL-GSJFWJNXSA-N 1 0 280.324 1.806 20 5 CDBDRO Cc1cc(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)ccc1[N+](=O)[O-] ZINC000601566605 344193088 /nfs/dbraw/zinc/19/30/88/344193088.db2.gz UFKHHQZZRXIJFT-QWRGUYRKSA-N 1 0 276.296 1.481 20 5 CDBDRO C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000602071692 344326546 /nfs/dbraw/zinc/32/65/46/344326546.db2.gz DIMBKBYTYIXJSH-SECBINFHSA-N 1 0 251.286 1.161 20 5 CDBDRO C[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000602433582 344424942 /nfs/dbraw/zinc/42/49/42/344424942.db2.gz MOHRPLRTLIHRPZ-WCBMZHEXSA-N 1 0 281.287 1.543 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccsc2)c1 ZINC000063152708 344396166 /nfs/dbraw/zinc/39/61/66/344396166.db2.gz ZGJYFTQZGXTPLX-LLVKDONJSA-N 1 0 282.325 1.004 20 5 CDBDRO CCOc1ccc(C(=O)N2C[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000602594785 344502047 /nfs/dbraw/zinc/50/20/47/344502047.db2.gz DEPLGEVOJZCAFR-KOLCDFICSA-N 1 0 293.323 1.555 20 5 CDBDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000602637197 344510547 /nfs/dbraw/zinc/51/05/47/344510547.db2.gz MSDANLKVQSDVQQ-RKDXNWHRSA-N 1 0 278.312 1.984 20 5 CDBDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000602637194 344510643 /nfs/dbraw/zinc/51/06/43/344510643.db2.gz MSDANLKVQSDVQQ-BDAKNGLRSA-N 1 0 278.312 1.984 20 5 CDBDRO CO[C@H](C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602626856 344520547 /nfs/dbraw/zinc/52/05/47/344520547.db2.gz MRKUXQYWRKQLPH-MRVPVSSYSA-N 1 0 265.269 1.861 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000154700967 529984995 /nfs/dbraw/zinc/98/49/95/529984995.db2.gz PTEUCGIFGUWWCM-SECBINFHSA-N 1 0 297.380 1.902 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000154591573 529998406 /nfs/dbraw/zinc/99/84/06/529998406.db2.gz BMKFCIPNGIOJFK-QMMMGPOBSA-N 1 0 285.731 1.834 20 5 CDBDRO CC[C@@H](CO)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000437097451 362440056 /nfs/dbraw/zinc/44/00/56/362440056.db2.gz PUWZCSSDGZIHHV-QWRGUYRKSA-N 1 0 295.339 1.672 20 5 CDBDRO CCC(CC)(CCO)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602824191 344610740 /nfs/dbraw/zinc/61/07/40/344610740.db2.gz NOLLUPRBJRLOPD-UHFFFAOYSA-N 1 0 284.360 1.631 20 5 CDBDRO CS[C@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602837751 344619629 /nfs/dbraw/zinc/61/96/29/344619629.db2.gz ZTEPEBNIEXEBEW-JTQLQIEISA-N 1 0 270.358 1.537 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@@H]4C[NH2+]C[C@@H]43)ccc2c1 ZINC000209505434 344724335 /nfs/dbraw/zinc/72/43/35/344724335.db2.gz JPWXARGDJXQZSG-RISCZKNCSA-N 1 0 284.319 1.941 20 5 CDBDRO CC1(F)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000602993295 344682696 /nfs/dbraw/zinc/68/26/96/344682696.db2.gz WUYSFOJHYWFIHP-UHFFFAOYSA-N 1 0 256.281 1.615 20 5 CDBDRO CC(C)(CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000328470714 345042081 /nfs/dbraw/zinc/04/20/81/345042081.db2.gz ZNYNBKJYEHCJDY-CYBMUJFWSA-N 1 0 296.371 1.568 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000159870549 362544031 /nfs/dbraw/zinc/54/40/31/362544031.db2.gz GCZMSPPXRKJEGS-CYBMUJFWSA-N 1 0 277.324 1.713 20 5 CDBDRO CC(C)[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000609965686 346051489 /nfs/dbraw/zinc/05/14/89/346051489.db2.gz PTJJIKWZQMOSJW-GFCCVEGCSA-N 1 0 264.329 1.766 20 5 CDBDRO COCC[C@@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000088523132 346066534 /nfs/dbraw/zinc/06/65/34/346066534.db2.gz HYMYTEJFLLCHMQ-NEPJUHHUSA-N 1 0 294.355 1.901 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000085360469 179032311 /nfs/dbraw/zinc/03/23/11/179032311.db2.gz UVXZOGULBXHLCZ-RMKNXTFCSA-N 1 0 277.324 1.628 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C[N@@H+]1C1CC1 ZINC000610653925 346336078 /nfs/dbraw/zinc/33/60/78/346336078.db2.gz CABVMWLVEXPWCG-BDAKNGLRSA-N 1 0 278.312 1.278 20 5 CDBDRO CC[N@@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611092375 346605982 /nfs/dbraw/zinc/60/59/82/346605982.db2.gz RTTQHFVVLXMRKT-CYBMUJFWSA-N 1 0 293.367 2.000 20 5 CDBDRO Cc1nc(N2CC[N@@H+](C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000611299034 346740838 /nfs/dbraw/zinc/74/08/38/346740838.db2.gz JDXUSGOKBSAWOM-WDEREUQCSA-N 1 0 264.329 1.827 20 5 CDBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000169982012 362807217 /nfs/dbraw/zinc/80/72/17/362807217.db2.gz HARHDCHSWHMIFN-JTQLQIEISA-N 1 0 278.312 1.137 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000066949042 347547921 /nfs/dbraw/zinc/54/79/21/347547921.db2.gz VUPKTIQUIRWYRE-UHFFFAOYSA-N 1 0 290.323 1.758 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[C@@H]1[NH3+] ZINC000122546458 347655717 /nfs/dbraw/zinc/65/57/17/347655717.db2.gz HEZZFUBAXHJKIR-ZJUUUORDSA-N 1 0 280.328 1.133 20 5 CDBDRO C[C@H]1C[C@@H](Nc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1C ZINC000090794955 348157035 /nfs/dbraw/zinc/15/70/35/348157035.db2.gz DNLUGODZACHQSO-IUCAKERBSA-N 1 0 253.306 1.223 20 5 CDBDRO CNC(=O)CCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293712478 362933062 /nfs/dbraw/zinc/93/30/62/362933062.db2.gz MAGRKIOUSATTRL-VIFPVBQESA-N 1 0 280.328 1.354 20 5 CDBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCC(O)CC2)nc1 ZINC000059363459 348880044 /nfs/dbraw/zinc/88/00/44/348880044.db2.gz DBCZSNHEHXAKSQ-UHFFFAOYSA-N 1 0 280.328 1.249 20 5 CDBDRO C[C@@H]([NH2+]C[C@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000090848562 180045028 /nfs/dbraw/zinc/04/50/28/180045028.db2.gz KGXVJHOWCRTRKC-ZWNOBZJWSA-N 1 0 266.297 1.397 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000105471766 186059578 /nfs/dbraw/zinc/05/95/78/186059578.db2.gz LMGMTIWXPYXTLB-ZDUSSCGKSA-N 1 0 279.340 1.323 20 5 CDBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)OCCO ZINC000313590513 535147781 /nfs/dbraw/zinc/14/77/81/535147781.db2.gz ZGCBSHWWKDALKM-UHFFFAOYSA-N 1 0 286.303 1.611 20 5 CDBDRO Nc1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc1[N+](=O)[O-] ZINC000311642360 350702081 /nfs/dbraw/zinc/70/20/81/350702081.db2.gz LECCVPZCYZSUPS-MRVPVSSYSA-N 1 0 263.301 1.221 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](C(C)(C)CO)CC1 ZINC000081017041 351122790 /nfs/dbraw/zinc/12/27/90/351122790.db2.gz SLFPINOZZJCPTI-UHFFFAOYSA-N 1 0 294.355 1.191 20 5 CDBDRO CO[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000167249863 363071058 /nfs/dbraw/zinc/07/10/58/363071058.db2.gz CAUGICYBCLZJLB-NXEZZACHSA-N 1 0 299.352 1.235 20 5 CDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000122145535 187017657 /nfs/dbraw/zinc/01/76/57/187017657.db2.gz BZNXLGZBHWNQLO-LLVKDONJSA-N 1 0 255.274 1.291 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC(C)(C)[NH3+] ZINC000122281518 187023938 /nfs/dbraw/zinc/02/39/38/187023938.db2.gz MIQYJGMZGLMHAJ-UHFFFAOYSA-N 1 0 251.286 1.370 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[NH2+]CCO2)c2ncccc12 ZINC000123539085 187097262 /nfs/dbraw/zinc/09/72/62/187097262.db2.gz QRCGVBAMDRTNBQ-SNVBAGLBSA-N 1 0 288.307 1.543 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH2+]CCO2)c2ncccc12 ZINC000123538897 187097671 /nfs/dbraw/zinc/09/76/71/187097671.db2.gz QRCGVBAMDRTNBQ-JTQLQIEISA-N 1 0 288.307 1.543 20 5 CDBDRO CO[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)[C@@H](C[NH3+])C1 ZINC000167341943 363157331 /nfs/dbraw/zinc/15/73/31/363157331.db2.gz QQBYZFYJBKRKTE-KGLIPLIRSA-N 1 0 293.367 1.841 20 5 CDBDRO COc1cc(C(=O)N[C@@H](C)CCCC[NH3+])ccc1[N+](=O)[O-] ZINC000292042375 198143561 /nfs/dbraw/zinc/14/35/61/198143561.db2.gz IHBGECSBAHEZON-JTQLQIEISA-N 1 0 295.339 1.851 20 5 CDBDRO C[C@@H](CCCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000292077119 198155434 /nfs/dbraw/zinc/15/54/34/198155434.db2.gz LUCRAICQFOHNIP-JTQLQIEISA-N 1 0 265.313 1.842 20 5 CDBDRO Cc1cc(C(=O)NCC[C@@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000135223751 187808528 /nfs/dbraw/zinc/80/85/28/187808528.db2.gz XBLLXASBDAKFGQ-SECBINFHSA-N 1 0 251.286 1.370 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000292148017 198181287 /nfs/dbraw/zinc/18/12/87/198181287.db2.gz VAKBDUJCTKZXDO-SNVBAGLBSA-N 1 0 294.355 1.636 20 5 CDBDRO COc1cc(C(=O)N[C@@H](C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000156734776 188279164 /nfs/dbraw/zinc/27/91/64/188279164.db2.gz MPHWFCDZMBZJCY-JTQLQIEISA-N 1 0 279.296 1.071 20 5 CDBDRO Cc1cc(C(=O)NCC[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000063170225 363277566 /nfs/dbraw/zinc/27/75/66/363277566.db2.gz UWDJCTHNTNOLCA-VIFPVBQESA-N 1 0 251.286 1.370 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1ccccc1[N+](=O)[O-] ZINC000036977104 363304669 /nfs/dbraw/zinc/30/46/69/363304669.db2.gz AMYJIYQGIMKNHQ-CMPLNLGQSA-N 1 0 277.324 1.914 20 5 CDBDRO CC[C@H](CCO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000578070243 356128152 /nfs/dbraw/zinc/12/81/52/356128152.db2.gz MXEXVDAEIYZYJB-LLVKDONJSA-N 1 0 295.339 1.674 20 5 CDBDRO CC[C@@H](O)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000578013436 356111648 /nfs/dbraw/zinc/11/16/48/356111648.db2.gz QDEXVZROLQIPNA-LLVKDONJSA-N 1 0 295.339 1.674 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000163346552 356338984 /nfs/dbraw/zinc/33/89/84/356338984.db2.gz XBTDVPAESAMTIH-VHSXEESVSA-N 1 0 263.297 1.404 20 5 CDBDRO CC[C@@H](CNc1ncc([N+](=O)[O-])cn1)[NH+]1CCCC1 ZINC000273564632 192207056 /nfs/dbraw/zinc/20/70/56/192207056.db2.gz CFKFWXVPSAKREA-JTQLQIEISA-N 1 0 265.317 1.671 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000037872751 356547187 /nfs/dbraw/zinc/54/71/87/356547187.db2.gz FOFPFBJLSHTJDP-BXUZGUMPSA-N 1 0 290.323 1.503 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1NCCC[NH+]1CCC(O)CC1 ZINC000286480334 356731656 /nfs/dbraw/zinc/73/16/56/356731656.db2.gz UNODAXRLTJSSBT-UHFFFAOYSA-N 1 0 297.330 1.993 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC[C@@H](C)O ZINC000075780896 356945058 /nfs/dbraw/zinc/94/50/58/356945058.db2.gz JPSCWENHVORLNH-SNVBAGLBSA-N 1 0 268.313 1.806 20 5 CDBDRO CCCc1n[nH]c(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c1[N+](=O)[O-] ZINC000261900852 357339547 /nfs/dbraw/zinc/33/95/47/357339547.db2.gz WPMQAIPRZJOIJU-IUCAKERBSA-N 1 0 295.343 1.080 20 5 CDBDRO COc1cc(CN2C[C@@H](C)[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000262041118 357355734 /nfs/dbraw/zinc/35/57/34/357355734.db2.gz PDIKVTUGEAHVEA-KOLCDFICSA-N 1 0 295.339 1.391 20 5 CDBDRO O=C(N[C@H]1C[C@H]1C1CC[NH2+]CC1)c1csc([N+](=O)[O-])c1 ZINC000361096572 357797365 /nfs/dbraw/zinc/79/73/65/357797365.db2.gz MHTZIQNTJVXCFW-QWRGUYRKSA-N 1 0 295.364 1.774 20 5 CDBDRO O=C(N[C@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000361112357 357807205 /nfs/dbraw/zinc/80/72/05/357807205.db2.gz UOWUWZGFBOZNFR-KBPBESRZSA-N 1 0 289.335 1.713 20 5 CDBDRO C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000135236388 357810230 /nfs/dbraw/zinc/81/02/30/357810230.db2.gz YABTWVXKAYSHIY-MFKMUULPSA-N 1 0 277.324 1.333 20 5 CDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000610708858 357827347 /nfs/dbraw/zinc/82/73/47/357827347.db2.gz WPMKECKTHMVHAH-UFBFGSQYSA-N 1 0 278.312 1.135 20 5 CDBDRO Cc1cc(C(=O)NC[C@H](C)C[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000294384186 199019269 /nfs/dbraw/zinc/01/92/69/199019269.db2.gz WDRGRZHFPRSAQR-JTQLQIEISA-N 1 0 294.355 1.413 20 5 CDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ncc([N+](=O)[O-])s1 ZINC000192451972 358204156 /nfs/dbraw/zinc/20/41/56/358204156.db2.gz BYFIGHVJVRSXAQ-SECBINFHSA-N 1 0 285.373 1.099 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[C@@H]1[NH3+] ZINC000094339379 366403391 /nfs/dbraw/zinc/40/33/91/366403391.db2.gz FHBPKEICLFUFNC-PELKAZGASA-N 1 0 281.287 1.543 20 5 CDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000247445983 358330676 /nfs/dbraw/zinc/33/06/76/358330676.db2.gz PUBGRRJEDKIZLK-VHSXEESVSA-N 1 0 281.312 1.600 20 5 CDBDRO Cc1ccc(C[N@H+]2C[C@H](C)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000361657692 358403198 /nfs/dbraw/zinc/40/31/98/358403198.db2.gz WKXFYQXIEZIHDL-WCQYABFASA-N 1 0 264.325 1.963 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCOCCO)c(Cl)c1 ZINC000230147936 358659891 /nfs/dbraw/zinc/65/98/91/358659891.db2.gz ABRCHVIEBNBYRX-UHFFFAOYSA-N 1 0 288.731 1.737 20 5 CDBDRO C[N@@H+](CCc1ccccc1)CCn1ccc([N+](=O)[O-])n1 ZINC000176211073 358737331 /nfs/dbraw/zinc/73/73/31/358737331.db2.gz HGCKZMDIXOFEJR-UHFFFAOYSA-N 1 0 274.324 1.966 20 5 CDBDRO Cc1cc(C(=O)N[C@@H](C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000087383642 359033262 /nfs/dbraw/zinc/03/32/62/359033262.db2.gz OMILZVGQHOAZQO-NSHDSACASA-N 1 0 263.297 1.370 20 5 CDBDRO CC(=O)c1cc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000450774744 359001475 /nfs/dbraw/zinc/00/14/75/359001475.db2.gz DOUFBOFMDCZKRR-ABAIWWIYSA-N 1 0 289.335 1.938 20 5 CDBDRO CC[C@H](C)[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000451833340 359084067 /nfs/dbraw/zinc/08/40/67/359084067.db2.gz CUTMLGUAXYPYDH-LBPRGKRZSA-N 1 0 281.360 1.207 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000342441786 359052948 /nfs/dbraw/zinc/05/29/48/359052948.db2.gz SPJJVWDQWUDAAE-MRVPVSSYSA-N 1 0 284.291 1.806 20 5 CDBDRO CNC(=O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549587 359061526 /nfs/dbraw/zinc/06/15/26/359061526.db2.gz POCWVIADALNPTP-GFCCVEGCSA-N 1 0 277.324 1.520 20 5 CDBDRO C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH+]1C ZINC000339620066 359417859 /nfs/dbraw/zinc/41/78/59/359417859.db2.gz SUKGVWUBWSWTSP-STQMWFEESA-N 1 0 293.367 1.998 20 5 CDBDRO CC(C)(CO)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000339722976 359428482 /nfs/dbraw/zinc/42/84/82/359428482.db2.gz ADOMMVGTSQBCHW-GFCCVEGCSA-N 1 0 282.344 1.178 20 5 CDBDRO C[C@@H]([NH2+][C@H]1CCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000050394677 359440397 /nfs/dbraw/zinc/44/03/97/359440397.db2.gz XALOKMJUUDCNCG-SKDRFNHKSA-N 1 0 263.297 1.524 20 5 CDBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000353190640 359580572 /nfs/dbraw/zinc/58/05/72/359580572.db2.gz OLRNCPLZCPRLGA-KGLIPLIRSA-N 1 0 280.324 1.878 20 5 CDBDRO Cc1nn(CCC(=O)N[C@@H](C)C[C@H](C)[NH3+])c(C)c1[N+](=O)[O-] ZINC000571524824 359583040 /nfs/dbraw/zinc/58/30/40/359583040.db2.gz DMYYGLPKXJGEJK-IUCAKERBSA-N 1 0 297.359 1.040 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000571643932 359599061 /nfs/dbraw/zinc/59/90/61/359599061.db2.gz HNUGWTBGARQATI-NXEZZACHSA-N 1 0 295.339 1.849 20 5 CDBDRO C[N@@H+]1CC[C@@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000571749111 359608919 /nfs/dbraw/zinc/60/89/19/359608919.db2.gz RIAHBRRLJMLCRC-LLVKDONJSA-N 1 0 291.351 1.898 20 5 CDBDRO [NH3+]C1(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000296947367 200042602 /nfs/dbraw/zinc/04/26/02/200042602.db2.gz TUEASRWLUGVTHY-UHFFFAOYSA-N 1 0 283.715 1.746 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000571937275 359681602 /nfs/dbraw/zinc/68/16/02/359681602.db2.gz QPMOIJUNJLCNIU-NWDGAFQWSA-N 1 0 279.340 1.785 20 5 CDBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000111828909 359673762 /nfs/dbraw/zinc/67/37/62/359673762.db2.gz VORSTSYERQZCBT-MRVPVSSYSA-N 1 0 254.290 1.026 20 5 CDBDRO Cc1cccc(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000408472213 359822583 /nfs/dbraw/zinc/82/25/83/359822583.db2.gz ZHOGTFZNLHSRHC-YPMHNXCESA-N 1 0 289.335 1.679 20 5 CDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C1CC1)C1CC1 ZINC000075676265 359914703 /nfs/dbraw/zinc/91/47/03/359914703.db2.gz OFLOOEOZBCVKJQ-CYBMUJFWSA-N 1 0 294.355 1.273 20 5 CDBDRO C[C@@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000235329402 360020199 /nfs/dbraw/zinc/02/01/99/360020199.db2.gz MSVOPFBMBNQBFM-YPMHNXCESA-N 1 0 291.351 1.723 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC[C@H]1CCC[NH2+]1 ZINC000166679307 360213819 /nfs/dbraw/zinc/21/38/19/360213819.db2.gz VZUBHWHKFHZBTE-GFCCVEGCSA-N 1 0 277.324 1.396 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176401862 360270419 /nfs/dbraw/zinc/27/04/19/360270419.db2.gz DOSAMFRXCLNPJD-SNVBAGLBSA-N 1 0 294.355 1.637 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000147902025 360499606 /nfs/dbraw/zinc/49/96/06/360499606.db2.gz GIUMDCYBYWPXPV-JTQLQIEISA-N 1 0 263.297 1.337 20 5 CDBDRO C[C@@]1(O)CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000178002074 189084625 /nfs/dbraw/zinc/08/46/25/189084625.db2.gz OSAZOSNNRHNMHF-CQSZACIVSA-N 1 0 280.324 1.820 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NCC[C@@H]2CC[NH2+]C2)n1 ZINC000162861619 360598254 /nfs/dbraw/zinc/59/82/54/360598254.db2.gz ODJLZVKEHLPVQI-JTQLQIEISA-N 1 0 250.302 1.710 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)CN2CC[NH+](C)CC2)n1 ZINC000178217146 189098686 /nfs/dbraw/zinc/09/86/86/189098686.db2.gz IUBHKCPTIYGFER-LBPRGKRZSA-N 1 0 293.371 1.346 20 5 CDBDRO C[C@H](NC(=O)N(C)CCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000572466196 360936324 /nfs/dbraw/zinc/93/63/24/360936324.db2.gz SHSDPXROOSHGOV-JTQLQIEISA-N 1 0 280.328 1.646 20 5 CDBDRO [NH3+]CCCc1cn(Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000229830809 360932187 /nfs/dbraw/zinc/93/21/87/360932187.db2.gz JUJUBHGIDRAPSS-UHFFFAOYSA-N 1 0 295.730 1.779 20 5 CDBDRO COc1ccc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000382422748 361352179 /nfs/dbraw/zinc/35/21/79/361352179.db2.gz CKJVTOQJRADATP-GXSJLCMTSA-N 1 0 293.323 1.461 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000275115031 192917954 /nfs/dbraw/zinc/91/79/54/192917954.db2.gz HLZFVJVREZWEGU-KWQFWETISA-N 1 0 297.742 1.976 20 5 CDBDRO Nc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000192789070 283666736 /nfs/dbraw/zinc/66/67/36/283666736.db2.gz MVRLUPCHTCAWJV-LBPRGKRZSA-N 1 0 276.340 1.852 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@]1(CO)CCOC1 ZINC000184197328 189379039 /nfs/dbraw/zinc/37/90/39/189379039.db2.gz IGLVXPRHQKAPMT-LYKUJDHUSA-N 1 0 278.308 1.349 20 5 CDBDRO CO[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000188127773 189491085 /nfs/dbraw/zinc/49/10/85/189491085.db2.gz XQQPDRLZDXFREQ-QWRGUYRKSA-N 1 0 295.339 1.936 20 5 CDBDRO C[C@H](CCCO)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000581488876 363997608 /nfs/dbraw/zinc/99/76/08/363997608.db2.gz CVIDBAUDTVCVAI-VXGBXAGGSA-N 1 0 298.339 1.085 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](O)CSc1ccc([N+](=O)[O-])cn1 ZINC000581023311 363963184 /nfs/dbraw/zinc/96/31/84/363963184.db2.gz XCWOLQDFSFWWJP-LLVKDONJSA-N 1 0 285.369 1.783 20 5 CDBDRO C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000088058904 364048634 /nfs/dbraw/zinc/04/86/34/364048634.db2.gz CHGGTQGCELZYFU-SSDOTTSWSA-N 1 0 255.299 1.090 20 5 CDBDRO C[C@@H](O)[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000581939060 364059233 /nfs/dbraw/zinc/05/92/33/364059233.db2.gz IPQYTOALUZQBGX-HTQZYQBOSA-N 1 0 264.285 1.330 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc([N+](=O)[O-])c1 ZINC000189312740 189530077 /nfs/dbraw/zinc/53/00/77/189530077.db2.gz GANFRRPXCABOPC-ZWNOBZJWSA-N 1 0 277.324 1.774 20 5 CDBDRO C[C@@](C[NH3+])(NC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000148876860 364439726 /nfs/dbraw/zinc/43/97/26/364439726.db2.gz APFNYPBIVZSRRP-ZDUSSCGKSA-N 1 0 263.297 1.452 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000357236895 366852953 /nfs/dbraw/zinc/85/29/53/366852953.db2.gz VFRUSDMLDDWFIK-SNVBAGLBSA-N 1 0 294.355 1.836 20 5 CDBDRO C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000042096459 364499316 /nfs/dbraw/zinc/49/93/16/364499316.db2.gz YDRBUSPWSJOYPQ-UHFFFAOYSA-N 1 0 253.277 1.876 20 5 CDBDRO CO[C@H](C[NH3+])CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000232115003 366953153 /nfs/dbraw/zinc/95/31/53/366953153.db2.gz OOLPRKJUWOBSJU-CABZTGNLSA-N 1 0 281.312 1.136 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000036976511 299366173 /nfs/dbraw/zinc/36/61/73/299366173.db2.gz FFLFGSXXJICYPW-GXFFZTMASA-N 1 0 277.324 1.914 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000415495570 241702538 /nfs/dbraw/zinc/70/25/38/241702538.db2.gz FTLYSCYSRMFFKR-QMMMGPOBSA-N 1 0 282.300 1.462 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000161144792 367298326 /nfs/dbraw/zinc/29/83/26/367298326.db2.gz JKFXPBWCENIVOP-MNOVXSKESA-N 1 0 293.323 1.360 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCC[C@H]2OC(F)F)n1 ZINC000348520246 367456477 /nfs/dbraw/zinc/45/64/77/367456477.db2.gz ISRQITHAIBJYIY-RKDXNWHRSA-N 1 0 290.270 1.541 20 5 CDBDRO C[C@@H](NC(=O)N1CC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417124843 242328086 /nfs/dbraw/zinc/32/80/86/242328086.db2.gz ADHGELLMFWGEPY-KOLCDFICSA-N 1 0 278.312 1.398 20 5 CDBDRO C[C@H](O)[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000272546607 367760112 /nfs/dbraw/zinc/76/01/12/367760112.db2.gz KEURAKIQVVMUHW-NWDGAFQWSA-N 1 0 280.324 1.676 20 5 CDBDRO CN(C1(C[NH3+])CCC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000385046342 367881298 /nfs/dbraw/zinc/88/12/98/367881298.db2.gz ABZOQOVODVXVEK-UHFFFAOYSA-N 1 0 299.352 1.097 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000269301980 368247647 /nfs/dbraw/zinc/24/76/47/368247647.db2.gz XTFCTQHSSLMFDF-SNVBAGLBSA-N 1 0 291.311 1.184 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418698546 243352331 /nfs/dbraw/zinc/35/23/31/243352331.db2.gz NCCQQVGYWUGYMC-LBPRGKRZSA-N 1 0 292.339 1.400 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000089091408 368858028 /nfs/dbraw/zinc/85/80/28/368858028.db2.gz LGYWRXDGXSMOCM-MFKMUULPSA-N 1 0 277.324 1.760 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCCN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420337180 244107306 /nfs/dbraw/zinc/10/73/06/244107306.db2.gz JQSQCYUPYYYFBM-YPMHNXCESA-N 1 0 277.324 1.267 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420630196 244295911 /nfs/dbraw/zinc/29/59/11/244295911.db2.gz DNGVKKJVRCWOJT-NSHDSACASA-N 1 0 281.360 1.650 20 5 CDBDRO CC1(NCc2csc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000414947194 370960108 /nfs/dbraw/zinc/96/01/08/370960108.db2.gz VNGFTZMRNLZJSU-UHFFFAOYSA-N 1 0 255.343 1.888 20 5 CDBDRO CC[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000330914840 203385691 /nfs/dbraw/zinc/38/56/91/203385691.db2.gz YLAJUSDFSBYHMW-UHFFFAOYSA-N 1 0 294.355 1.775 20 5 CDBDRO Cc1c(CC(=O)N2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000422711028 245169843 /nfs/dbraw/zinc/16/98/43/245169843.db2.gz MRXGNDZGIKZLHL-UHFFFAOYSA-N 1 0 277.324 1.268 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000422832396 245312956 /nfs/dbraw/zinc/31/29/56/245312956.db2.gz UWRNGEOCZINMTJ-VIFPVBQESA-N 1 0 279.340 1.797 20 5 CDBDRO CN1CC[NH2+]C[C@@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000414979620 371199229 /nfs/dbraw/zinc/19/92/29/371199229.db2.gz UTQFROADAHXEFI-GFCCVEGCSA-N 1 0 298.774 1.241 20 5 CDBDRO C[NH2+]CCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000151278981 372781071 /nfs/dbraw/zinc/78/10/71/372781071.db2.gz ZMXSHKRQJCPFGP-UHFFFAOYSA-N 1 0 269.326 1.266 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000121818445 373238627 /nfs/dbraw/zinc/23/86/27/373238627.db2.gz LIRDCIFGYPEJCR-RKDXNWHRSA-N 1 0 251.286 1.428 20 5 CDBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000269635442 373243306 /nfs/dbraw/zinc/24/33/06/373243306.db2.gz HEZTZOVDPBCNQO-GFCCVEGCSA-N 1 0 268.313 1.331 20 5 CDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1(CO)CC1 ZINC000298616564 373762009 /nfs/dbraw/zinc/76/20/09/373762009.db2.gz UIJFUZOLMRSZCP-UHFFFAOYSA-N 1 0 293.323 1.380 20 5 CDBDRO Cc1c(C(=O)NCCC[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000036263115 373891753 /nfs/dbraw/zinc/89/17/53/373891753.db2.gz CSNOWWVFCKCQQN-UHFFFAOYSA-N 1 0 277.324 1.775 20 5 CDBDRO Cc1cc(C(=O)N(C)C2(C[NH3+])CCC2)cc([N+](=O)[O-])c1 ZINC000385436115 374163412 /nfs/dbraw/zinc/16/34/12/374163412.db2.gz GFNVZPFSGARDRS-UHFFFAOYSA-N 1 0 277.324 1.857 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000311990066 374274831 /nfs/dbraw/zinc/27/48/31/374274831.db2.gz SBTAHVSBCNPTNW-ISGFRBBESA-N 1 0 263.297 1.462 20 5 CDBDRO C[C@H]1C[C@H](CO)C[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000420943748 374308950 /nfs/dbraw/zinc/30/89/50/374308950.db2.gz QEPHQHMBOBXDCL-STQMWFEESA-N 1 0 294.351 1.924 20 5 CDBDRO COc1cc(C(=O)NCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000114675022 374338774 /nfs/dbraw/zinc/33/87/74/374338774.db2.gz VIWDKEFVIHULJJ-UHFFFAOYSA-N 1 0 281.312 1.285 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](CNc2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000114709085 374346071 /nfs/dbraw/zinc/34/60/71/374346071.db2.gz RSSTXZBGXPLQNS-NSHDSACASA-N 1 0 281.360 1.781 20 5 CDBDRO COCC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000423510313 374389157 /nfs/dbraw/zinc/38/91/57/374389157.db2.gz JNROMJSONJLHRR-UHFFFAOYSA-N 1 0 295.339 1.177 20 5 CDBDRO Cc1c(NC(=O)[C@@]2(C)CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000079514907 374410619 /nfs/dbraw/zinc/41/06/19/374410619.db2.gz MGGPXKRUZVOUNA-CYBMUJFWSA-N 1 0 263.297 1.984 20 5 CDBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000081554998 374518904 /nfs/dbraw/zinc/51/89/04/374518904.db2.gz OVEDZUSZANMJRW-JTQLQIEISA-N 1 0 265.313 1.409 20 5 CDBDRO CN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC000423951833 246246133 /nfs/dbraw/zinc/24/61/33/246246133.db2.gz PENNTNCYNVFHDR-ZDUSSCGKSA-N 1 0 292.339 1.202 20 5 CDBDRO CC[N@H+](CCO)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000299237168 374585345 /nfs/dbraw/zinc/58/53/45/374585345.db2.gz TUFZBCZMHGTYDI-UHFFFAOYSA-N 1 0 295.339 1.546 20 5 CDBDRO C[NH+]1CCC2(CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000378350507 374642319 /nfs/dbraw/zinc/64/23/19/374642319.db2.gz OMAMRXGALKTPJO-UHFFFAOYSA-N 1 0 293.323 1.888 20 5 CDBDRO CCC[C@@H](NC[C@@H](O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000154319183 374695787 /nfs/dbraw/zinc/69/57/87/374695787.db2.gz QNUSOKKMVAHSME-HUUCEWRRSA-N 1 0 295.383 1.948 20 5 CDBDRO O=C([C@@H]1CC[NH2+]C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000262638268 284493837 /nfs/dbraw/zinc/49/38/37/284493837.db2.gz NWWACJZDOFCDNJ-SECBINFHSA-N 1 0 261.281 1.093 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CCCOC3)CC2)n1 ZINC000332484544 375034346 /nfs/dbraw/zinc/03/43/46/375034346.db2.gz XPIJJQXJYBQHAB-LBPRGKRZSA-N 1 0 294.355 1.855 20 5 CDBDRO CCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000350896401 375252356 /nfs/dbraw/zinc/25/23/56/375252356.db2.gz GTIOCHRKVXREMW-UHFFFAOYSA-N 1 0 295.343 1.034 20 5 CDBDRO CC[N@@H+]1CC[C@@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000493587153 375466049 /nfs/dbraw/zinc/46/60/49/375466049.db2.gz QHVDLGCMQHGYQN-MEJMFZKBSA-N 1 0 289.335 1.818 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2C2CCC2)c1 ZINC000304287128 375425622 /nfs/dbraw/zinc/42/56/22/375425622.db2.gz AZIRIETYXCBWPB-UONOGXRCSA-N 1 0 294.355 1.417 20 5 CDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132573867 375530378 /nfs/dbraw/zinc/53/03/78/375530378.db2.gz WEYJQCFKAKFFOC-NSHDSACASA-N 1 0 281.287 1.606 20 5 CDBDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000162836532 375530789 /nfs/dbraw/zinc/53/07/89/375530789.db2.gz FYFUVYQAAYWIFJ-MNOVXSKESA-N 1 0 250.298 1.798 20 5 CDBDRO CC[NH2+]CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132631848 375546323 /nfs/dbraw/zinc/54/63/23/375546323.db2.gz XUBUKCAALSZSID-UHFFFAOYSA-N 1 0 255.249 1.073 20 5 CDBDRO CSc1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000132531763 375515866 /nfs/dbraw/zinc/51/58/66/375515866.db2.gz HNUFYNXCICQGBG-SECBINFHSA-N 1 0 281.337 1.490 20 5 CDBDRO C[C@H]([NH3+])C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000132649462 375551662 /nfs/dbraw/zinc/55/16/62/375551662.db2.gz WXHDRBPRWFLEFZ-VIFPVBQESA-N 1 0 295.314 1.933 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000132949286 375645350 /nfs/dbraw/zinc/64/53/50/375645350.db2.gz NKTIYBYLESGNCU-ZDUSSCGKSA-N 1 0 291.351 1.738 20 5 CDBDRO C[C@@H](O)C[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000228112941 375695187 /nfs/dbraw/zinc/69/51/87/375695187.db2.gz IDONEMHABWULMQ-GHMZBOCLSA-N 1 0 252.314 1.886 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428053964 247235821 /nfs/dbraw/zinc/23/58/21/247235821.db2.gz MWJQLTDQAXIXIU-GXFFZTMASA-N 1 0 279.315 1.918 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CC=CCC2)c1 ZINC000045629491 375821185 /nfs/dbraw/zinc/82/11/85/375821185.db2.gz RSZHBQJXOGKSLD-WCQYABFASA-N 1 0 280.328 1.098 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)C1C[NH2+]C1 ZINC000357058765 375879924 /nfs/dbraw/zinc/87/99/24/375879924.db2.gz WIMZATLXIQWCMW-UHFFFAOYSA-N 1 0 265.313 1.397 20 5 CDBDRO COc1ccc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000307910523 375895522 /nfs/dbraw/zinc/89/55/22/375895522.db2.gz HUUAFKPCZSSMBW-GFCCVEGCSA-N 1 0 293.323 1.474 20 5 CDBDRO COC[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000358323738 375960201 /nfs/dbraw/zinc/96/02/01/375960201.db2.gz BMLNDGKXVWVCKV-QWRGUYRKSA-N 1 0 295.339 1.936 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000261613865 190041347 /nfs/dbraw/zinc/04/13/47/190041347.db2.gz FJRCVJDKHVQXRZ-KKFJDGPESA-N 1 0 295.314 1.850 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1C[NH2+]CCO1 ZINC000134267908 375946495 /nfs/dbraw/zinc/94/64/95/375946495.db2.gz ISEAXDYTUXJLDF-VIFPVBQESA-N 1 0 271.704 1.649 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261709621 190042689 /nfs/dbraw/zinc/04/26/89/190042689.db2.gz PBQOVZLRXBBUGC-STQMWFEESA-N 1 0 289.335 1.205 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261716297 190042866 /nfs/dbraw/zinc/04/28/66/190042866.db2.gz POYNOJQGWZQGSW-HFAKWTLXSA-N 1 0 291.351 1.640 20 5 CDBDRO C[C@@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H](C)CO ZINC000249007440 376115846 /nfs/dbraw/zinc/11/58/46/376115846.db2.gz ZQVQLFNEJNWSDS-GHMZBOCLSA-N 1 0 268.313 1.158 20 5 CDBDRO COC1CC([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000347463553 376165029 /nfs/dbraw/zinc/16/50/29/376165029.db2.gz HWIAZAWTIKIVSO-UHFFFAOYSA-N 1 0 250.298 1.904 20 5 CDBDRO COc1ccc(OCCN2CCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000430586802 247656990 /nfs/dbraw/zinc/65/69/90/247656990.db2.gz XLFSBNWPCXQGKV-NSHDSACASA-N 1 0 295.339 1.405 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000262816441 190063673 /nfs/dbraw/zinc/06/36/73/190063673.db2.gz PDBQNHVQIOZJCM-ZWNOBZJWSA-N 1 0 293.323 1.088 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000262710741 190061509 /nfs/dbraw/zinc/06/15/09/190061509.db2.gz CMVWWTRUMCQKRG-GWCFXTLKSA-N 1 0 277.324 1.252 20 5 CDBDRO C[C@@H]1[NH2+]CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000262758361 190062553 /nfs/dbraw/zinc/06/25/53/190062553.db2.gz HZQOJNTXCLACHV-QWRGUYRKSA-N 1 0 293.323 1.182 20 5 CDBDRO CN(CC1CC[NH+](C)CC1)c1c([N+](=O)[O-])ncn1C ZINC000264199734 190095475 /nfs/dbraw/zinc/09/54/75/190095475.db2.gz IQJVFEUZRFOJKC-UHFFFAOYSA-N 1 0 267.333 1.106 20 5 CDBDRO COCC[N@@H+]1CC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000264607496 190122431 /nfs/dbraw/zinc/12/24/31/190122431.db2.gz OSTGEDFTYKFMIV-LLVKDONJSA-N 1 0 283.303 1.867 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000357373338 377117251 /nfs/dbraw/zinc/11/72/51/377117251.db2.gz KJKBTNYQKWIFHQ-VIFPVBQESA-N 1 0 268.317 1.381 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000189314164 377230903 /nfs/dbraw/zinc/23/09/03/377230903.db2.gz KYBSZZNJAHWYGD-CMPLNLGQSA-N 1 0 277.324 1.774 20 5 CDBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264913154 190144160 /nfs/dbraw/zinc/14/41/60/190144160.db2.gz FWVXWPCROINFGW-NXEZZACHSA-N 1 0 278.312 1.232 20 5 CDBDRO CC[C@H](O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294304421 377404371 /nfs/dbraw/zinc/40/43/71/377404371.db2.gz NMQOLZBDHQDOTB-WPRPVWTQSA-N 1 0 253.302 1.599 20 5 CDBDRO CN(CC[NH+]1CCCC1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354411436 377491904 /nfs/dbraw/zinc/49/19/04/377491904.db2.gz UNQASDJAPYYBJI-UHFFFAOYSA-N 1 0 292.339 1.345 20 5 CDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cn1 ZINC000265228338 190167413 /nfs/dbraw/zinc/16/74/13/190167413.db2.gz QDTHJQZIQWRLHQ-LLVKDONJSA-N 1 0 264.329 1.768 20 5 CDBDRO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000182488501 378492988 /nfs/dbraw/zinc/49/29/88/378492988.db2.gz KMMMLRZPQFUJPW-SNVBAGLBSA-N 1 0 277.324 1.772 20 5 CDBDRO COc1cc(C[NH2+]CCC[C@@H](C)O)c([N+](=O)[O-])cc1OC ZINC000278759537 194141255 /nfs/dbraw/zinc/14/12/55/194141255.db2.gz XDWCSSSRKYIKIK-SNVBAGLBSA-N 1 0 298.339 1.863 20 5 CDBDRO CCOC[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446835538 250319478 /nfs/dbraw/zinc/31/94/78/250319478.db2.gz PCNOTGRLDKRJBL-VIFPVBQESA-N 1 0 278.312 1.986 20 5 CDBDRO CCC(CC)[N@H+](CCOC)CCn1cc([N+](=O)[O-])cn1 ZINC000174844941 379591844 /nfs/dbraw/zinc/59/18/44/379591844.db2.gz XRQLZTATQUGAGC-UHFFFAOYSA-N 1 0 284.360 1.928 20 5 CDBDRO C[C@@H]1C[C@@H](C)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000266940278 190292222 /nfs/dbraw/zinc/29/22/22/190292222.db2.gz PRKXKWVJMFOCCQ-WDEREUQCSA-N 1 0 252.318 1.912 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@]1([NH+](C)C)CCSC1 ZINC000267119416 190305183 /nfs/dbraw/zinc/30/51/83/190305183.db2.gz SYBPXBJEVSPCHR-NSHDSACASA-N 1 0 285.373 1.178 20 5 CDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000267968949 190365707 /nfs/dbraw/zinc/36/57/07/190365707.db2.gz MCMVKIGGTVTKRA-SNVBAGLBSA-N 1 0 298.343 1.010 20 5 CDBDRO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(=O)NC ZINC000449771016 251009717 /nfs/dbraw/zinc/00/97/17/251009717.db2.gz GHQAQELUXSYFDW-JTQLQIEISA-N 1 0 281.312 1.218 20 5 CDBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)NC ZINC000449775428 251011414 /nfs/dbraw/zinc/01/14/14/251011414.db2.gz NATOJHXEJOGLJE-NSHDSACASA-N 1 0 251.286 1.209 20 5 CDBDRO Cc1nc(NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000450255441 251195040 /nfs/dbraw/zinc/19/50/40/251195040.db2.gz BSWNSRWFUSUOTQ-GHMZBOCLSA-N 1 0 293.371 1.790 20 5 CDBDRO Cc1nc(NCC[NH+]2[C@H](C)CCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000450326719 251224534 /nfs/dbraw/zinc/22/45/34/251224534.db2.gz ZGADVFQAFOCLIS-GHMZBOCLSA-N 1 0 293.371 1.790 20 5 CDBDRO CCOc1cc(C[NH2+]C(C)(C)CC(N)=O)ccc1[N+](=O)[O-] ZINC000492815040 253301614 /nfs/dbraw/zinc/30/16/14/253301614.db2.gz CPSMAVFSJMKRTK-UHFFFAOYSA-N 1 0 295.339 1.737 20 5 CDBDRO C[NH+](C)C1(CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000493759750 253549077 /nfs/dbraw/zinc/54/90/77/253549077.db2.gz UKXCFJUNXZJRCY-FPLPWBNLSA-N 1 0 289.335 1.818 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(O[C@H]3CCC[NH2+]C3)nc2c1 ZINC000094772357 285141419 /nfs/dbraw/zinc/14/14/19/285141419.db2.gz FFAORFRGDFOWNO-VIFPVBQESA-N 1 0 262.269 1.602 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCO)CCC2 ZINC000192592820 285144407 /nfs/dbraw/zinc/14/44/07/285144407.db2.gz OWNBYOUHQNIIHB-CYBMUJFWSA-N 1 0 250.298 1.944 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@@H]2CC[NH2+]C2)n1 ZINC000423204990 285168354 /nfs/dbraw/zinc/16/83/54/285168354.db2.gz BGAWBDCGGXPTHZ-GRYCIOLGSA-N 1 0 279.344 1.227 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000168400975 533218301 /nfs/dbraw/zinc/21/83/01/533218301.db2.gz LSBOADPEWUXZLL-MNOVXSKESA-N 1 0 280.324 1.806 20 5 CDBDRO C[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163528972 390393221 /nfs/dbraw/zinc/39/32/21/390393221.db2.gz ZURQHJSKDVWTOK-WPRPVWTQSA-N 1 0 283.353 1.713 20 5 CDBDRO CC(C)[C@H](C[NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000433147987 390496897 /nfs/dbraw/zinc/49/68/97/390496897.db2.gz PTOSFLDFDHDOTO-LBPRGKRZSA-N 1 0 277.324 1.715 20 5 CDBDRO Cc1sc(C(=O)NCC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000262573909 390458436 /nfs/dbraw/zinc/45/84/36/390458436.db2.gz IJFRXOHEIIBCHE-SECBINFHSA-N 1 0 283.353 1.694 20 5 CDBDRO CC(C)[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000106910445 390561567 /nfs/dbraw/zinc/56/15/67/390561567.db2.gz RKRIEQIJSMHKCM-CQSZACIVSA-N 1 0 293.367 1.840 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000338422157 390662822 /nfs/dbraw/zinc/66/28/22/390662822.db2.gz GBNDCUTZAGJGIJ-UHFFFAOYSA-N 1 0 271.342 1.726 20 5 CDBDRO C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@@H+](C2CC2)C1 ZINC000451080738 390595831 /nfs/dbraw/zinc/59/58/31/390595831.db2.gz BWFPMHIPRWBXQX-GFCCVEGCSA-N 1 0 293.371 1.207 20 5 CDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000517084993 390968319 /nfs/dbraw/zinc/96/83/19/390968319.db2.gz KHIUOUFWZSTJTO-LLVKDONJSA-N 1 0 294.355 1.395 20 5 CDBDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000412031931 391032313 /nfs/dbraw/zinc/03/23/13/391032313.db2.gz BJYOHJCSNWRPSZ-SECBINFHSA-N 1 0 252.318 1.949 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000449304680 391079923 /nfs/dbraw/zinc/07/99/23/391079923.db2.gz PGROOFRSOMLKQM-MDZLAQPJSA-N 1 0 291.351 1.783 20 5 CDBDRO CO[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000451496799 391091279 /nfs/dbraw/zinc/09/12/79/391091279.db2.gz MHQLZSLCDUUWJC-ZJUUUORDSA-N 1 0 268.317 1.231 20 5 CDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@H]1CCCC[NH2+]C1 ZINC000415637235 391176683 /nfs/dbraw/zinc/17/66/83/391176683.db2.gz ZYRDHPHYKUZTQK-JTQLQIEISA-N 1 0 296.302 1.998 20 5 CDBDRO [NH3+]CC[C@H](NCc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000414987781 391230639 /nfs/dbraw/zinc/23/06/39/391230639.db2.gz JZKSANHAQWRIIM-JTQLQIEISA-N 1 0 259.256 1.667 20 5 CDBDRO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000366884413 391253800 /nfs/dbraw/zinc/25/38/00/391253800.db2.gz NQHUFFGGXPVTGB-ZIAGYGMSSA-N 1 0 289.335 1.348 20 5 CDBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1F)C[NH+](C)C ZINC000413306619 391195435 /nfs/dbraw/zinc/19/54/35/391195435.db2.gz WCTJNOFTQZHITP-MRVPVSSYSA-N 1 0 256.281 1.739 20 5 CDBDRO COCC[C@@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440485165 391394866 /nfs/dbraw/zinc/39/48/66/391394866.db2.gz HYMYTEJFLLCHMQ-VXGBXAGGSA-N 1 0 294.355 1.901 20 5 CDBDRO COc1ccc(CN(C2CC2)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000347161974 391510007 /nfs/dbraw/zinc/51/00/07/391510007.db2.gz HYLGGDBJLWTQHP-CYBMUJFWSA-N 1 0 291.351 1.930 20 5 CDBDRO C[N@@H+]1CC[C@]2(CCN(c3cc(N)ccc3[N+](=O)[O-])C2)C1 ZINC000292441727 391630597 /nfs/dbraw/zinc/63/05/97/391630597.db2.gz YKBKGJLBKXLPOM-AWEZNQCLSA-N 1 0 276.340 1.709 20 5 CDBDRO CNC(=O)CCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449103738 391744945 /nfs/dbraw/zinc/74/49/45/391744945.db2.gz RVBGVVJSMGGBTF-NSHDSACASA-N 1 0 279.340 1.642 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000122320241 392526418 /nfs/dbraw/zinc/52/64/18/392526418.db2.gz HDKKCBSZMYWKAD-NSHDSACASA-N 1 0 263.297 1.467 20 5 CDBDRO CNC(=O)C1C[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000459610974 392491675 /nfs/dbraw/zinc/49/16/75/392491675.db2.gz POZFIBPRGHSRKI-WDZFZDKYSA-N 1 0 289.335 1.676 20 5 CDBDRO Cc1sc(C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000266209850 131701288 /nfs/dbraw/zinc/70/12/88/131701288.db2.gz PVUQUVAVDYHTKB-KWQFWETISA-N 1 0 297.380 1.987 20 5 CDBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC1(C)C ZINC000419320065 392889115 /nfs/dbraw/zinc/88/91/15/392889115.db2.gz PJEHVUZHNQLMLA-AVGNSLFASA-N 1 0 296.371 1.567 20 5 CDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)C[NH+](C)C ZINC000488985512 392845325 /nfs/dbraw/zinc/84/53/25/392845325.db2.gz PZPGSSUZBGPISZ-SNVBAGLBSA-N 1 0 294.355 1.564 20 5 CDBDRO C[NH2+]CCCN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000420384964 392917792 /nfs/dbraw/zinc/91/77/92/392917792.db2.gz FYZQOCXTNBLAHY-UHFFFAOYSA-N 1 0 267.329 1.515 20 5 CDBDRO C[C@H](NC(=O)N1C[C@H]([NH3+])[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000418226240 392879191 /nfs/dbraw/zinc/87/91/91/392879191.db2.gz AUEVQGUDGFPGAZ-KWBADKCTSA-N 1 0 292.339 1.644 20 5 CDBDRO Cc1ccc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000525292887 392926199 /nfs/dbraw/zinc/92/61/99/392926199.db2.gz RFJCJPNMBZLFDG-LLVKDONJSA-N 1 0 291.351 1.975 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CN)C1CC1 ZINC000423286174 392960269 /nfs/dbraw/zinc/96/02/69/392960269.db2.gz ZTSJUMKNSHMAGU-GXFFZTMASA-N 1 0 263.341 1.853 20 5 CDBDRO Cc1c(CC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000423622902 392966173 /nfs/dbraw/zinc/96/61/73/392966173.db2.gz ZQHIYMANGSLCDJ-NWDGAFQWSA-N 1 0 291.351 1.655 20 5 CDBDRO COc1cc(C(=O)N[C@@H](C)[C@H](C)[NH3+])cc([N+](=O)[O-])c1C ZINC000423684002 392967134 /nfs/dbraw/zinc/96/71/34/392967134.db2.gz QWJOILUXTGNVAB-IUCAKERBSA-N 1 0 281.312 1.377 20 5 CDBDRO C[C@H]1CC[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000429587342 393083558 /nfs/dbraw/zinc/08/35/58/393083558.db2.gz FRVACHFIVNPEKH-WDEREUQCSA-N 1 0 252.318 1.912 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000430207393 393092352 /nfs/dbraw/zinc/09/23/52/393092352.db2.gz ZJUROSLMYFDPFI-LLVKDONJSA-N 1 0 280.324 1.808 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000430232278 393095252 /nfs/dbraw/zinc/09/52/52/393095252.db2.gz LUHADRXRWVQPNS-ZDUSSCGKSA-N 1 0 280.324 1.806 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H](C)C[NH3+] ZINC000430936102 393105667 /nfs/dbraw/zinc/10/56/67/393105667.db2.gz XDJTZORIZFCUMU-NSHDSACASA-N 1 0 294.355 1.511 20 5 CDBDRO COc1cc(CNC[C@H](C)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000449555864 393134375 /nfs/dbraw/zinc/13/43/75/393134375.db2.gz JUTGQFGHNJBPMR-JTQLQIEISA-N 1 0 297.355 1.652 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000449643416 393135299 /nfs/dbraw/zinc/13/52/99/393135299.db2.gz YXNVWSNAPIYCDR-OLZOCXBDSA-N 1 0 291.351 1.771 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449602541 393135324 /nfs/dbraw/zinc/13/53/24/393135324.db2.gz PBZSRJXHJLTWPU-JPVGGKMYSA-N 1 0 277.324 1.722 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]2C1 ZINC000278848085 393143376 /nfs/dbraw/zinc/14/33/76/393143376.db2.gz XADLXXPCXLXGPQ-AOOOYVTPSA-N 1 0 292.295 1.501 20 5 CDBDRO C[C@@H](Cn1cc(Cl)cc([N+](=O)[O-])c1=O)[NH+](C)C ZINC000331069047 393145461 /nfs/dbraw/zinc/14/54/61/393145461.db2.gz BGPIENNMCFGCNJ-ZETCQYMHSA-N 1 0 259.693 1.360 20 5 CDBDRO CCN1C[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1=O ZINC000391607475 393150143 /nfs/dbraw/zinc/15/01/43/393150143.db2.gz UYTNGCLAZDWFGO-NSHDSACASA-N 1 0 293.323 1.314 20 5 CDBDRO CC[N@H+](C)C[C@@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602778439 393224798 /nfs/dbraw/zinc/22/47/98/393224798.db2.gz LPBWQMUPQLGEJD-ZDUSSCGKSA-N 1 0 295.387 1.373 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000215998255 393207470 /nfs/dbraw/zinc/20/74/70/393207470.db2.gz LRTNERUJYWONOA-CAGCLMLXSA-N 1 0 289.335 1.817 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000076967076 139646751 /nfs/dbraw/zinc/64/67/51/139646751.db2.gz UOBLLZGTMLPSEW-UHFFFAOYSA-N 1 0 298.318 1.386 20 5 CDBDRO CCC[C@H]([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856889 140219886 /nfs/dbraw/zinc/21/98/86/140219886.db2.gz NPXHHTPMZGGGFR-NSHDSACASA-N 1 0 265.313 1.647 20 5 CDBDRO CCc1nn(C)c(N2CCC[C@@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000250145252 140301985 /nfs/dbraw/zinc/30/19/85/140301985.db2.gz YQXBCGQDLXUWOE-VHSXEESVSA-N 1 0 281.360 1.454 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000261566041 140348792 /nfs/dbraw/zinc/34/87/92/140348792.db2.gz IBTKUPLAGGTHIV-NSHDSACASA-N 1 0 270.720 1.818 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@](C)(C[NH3+])C2)c1 ZINC000261584209 140356200 /nfs/dbraw/zinc/35/62/00/140356200.db2.gz HSDANJNYTZGKGN-ZDUSSCGKSA-N 1 0 265.313 1.779 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)ccc1[N+](=O)[O-] ZINC000261587125 140357097 /nfs/dbraw/zinc/35/70/97/140357097.db2.gz JGBHTAXWSYBYRD-MWLCHTKSSA-N 1 0 263.297 1.465 20 5 CDBDRO COc1cc(N2CC[C@@H]([C@H](C)[NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000261648671 140368529 /nfs/dbraw/zinc/36/85/29/140368529.db2.gz PTLVQIURJDJWOK-DTWKUNHWSA-N 1 0 283.303 1.916 20 5 CDBDRO COC[C@@]1(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000261758584 140385722 /nfs/dbraw/zinc/38/57/22/140385722.db2.gz UQURFZBTQLVKSC-CQSZACIVSA-N 1 0 293.323 1.468 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](C)CC[C@H]1C ZINC000360903021 397901278 /nfs/dbraw/zinc/90/12/78/397901278.db2.gz AUECSSFOEVOHMK-SNVBAGLBSA-N 1 0 281.360 1.650 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H]([NH3+])C1 ZINC000091550318 146985502 /nfs/dbraw/zinc/98/55/02/146985502.db2.gz YESAAGOGDXNSAW-SECBINFHSA-N 1 0 253.306 1.047 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H](C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000262018100 149002190 /nfs/dbraw/zinc/00/21/90/149002190.db2.gz AAHQANWOVRZCKM-WDEREUQCSA-N 1 0 291.351 1.936 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000262577717 149077835 /nfs/dbraw/zinc/07/78/35/149077835.db2.gz LNZZPPSTWYJSCS-SNVBAGLBSA-N 1 0 293.323 1.333 20 5 CDBDRO Nc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000262659443 149091284 /nfs/dbraw/zinc/09/12/84/149091284.db2.gz YGWRROVJNHTEGW-MNOVXSKESA-N 1 0 290.323 1.144 20 5 CDBDRO [NH3+]CCCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000311021989 149207173 /nfs/dbraw/zinc/20/71/73/149207173.db2.gz RCHFAEFNSQRXKB-UHFFFAOYSA-N 1 0 252.274 1.455 20 5 CDBDRO COc1c(C(=O)N2CC[NH2+]C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000137540191 286176134 /nfs/dbraw/zinc/17/61/34/286176134.db2.gz BBLCIAWRPVPOLF-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO C[C@@H]1[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343429982 152172187 /nfs/dbraw/zinc/17/21/87/152172187.db2.gz IAEXELWHMKPKLK-RISCZKNCSA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH3+])C1 ZINC000346070310 153042726 /nfs/dbraw/zinc/04/27/26/153042726.db2.gz KBUGRJOUULNSJO-QWRGUYRKSA-N 1 0 292.339 1.345 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000349943317 154280323 /nfs/dbraw/zinc/28/03/23/154280323.db2.gz ZCGNKDDZVHUZBI-SNVBAGLBSA-N 1 0 265.313 1.381 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000349951815 154283341 /nfs/dbraw/zinc/28/33/41/154283341.db2.gz NNALHOFRVHDZMJ-SECBINFHSA-N 1 0 283.353 1.540 20 5 CDBDRO CCCC[N@H+](C)CCNc1c([N+](=O)[O-])ncn1C ZINC000352323256 155095142 /nfs/dbraw/zinc/09/51/42/155095142.db2.gz AVKIRKROLDQGOD-UHFFFAOYSA-N 1 0 255.322 1.472 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CC[C@H](CO)O2)cs1 ZINC000353701846 156025108 /nfs/dbraw/zinc/02/51/08/156025108.db2.gz HSHCHSYWOFQRPX-NXEZZACHSA-N 1 0 272.326 1.286 20 5 CDBDRO Cc1c(CNC(=O)NCC[NH+]2CCC2)cccc1[N+](=O)[O-] ZINC000359535685 158280361 /nfs/dbraw/zinc/28/03/61/158280361.db2.gz VMDTVMZPFWLRPK-UHFFFAOYSA-N 1 0 292.339 1.408 20 5 CDBDRO C[C@@H]([NH3+])C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000110651508 286908272 /nfs/dbraw/zinc/90/82/72/286908272.db2.gz BENJMVKIJAXFEZ-SECBINFHSA-N 1 0 250.302 1.553 20 5 CDBDRO CC[NH+](CC)CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000005591575 170117083 /nfs/dbraw/zinc/11/70/83/170117083.db2.gz BJSQJROVPQCUID-UHFFFAOYSA-N 1 0 293.367 1.985 20 5 CDBDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000007956949 170309828 /nfs/dbraw/zinc/30/98/28/170309828.db2.gz VLEVJMKDAOUMNM-UHFFFAOYSA-N 1 0 279.340 1.912 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCC[NH2+]1 ZINC000037500385 173237536 /nfs/dbraw/zinc/23/75/36/173237536.db2.gz QLKZYHDLWKELSN-NSHDSACASA-N 1 0 263.297 1.305 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000040595938 174348899 /nfs/dbraw/zinc/34/88/99/174348899.db2.gz XJZVMXFMYHBXIF-LBPRGKRZSA-N 1 0 291.351 1.975 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000044501956 175185802 /nfs/dbraw/zinc/18/58/02/175185802.db2.gz MQUXEKOWGFCKQC-VIFPVBQESA-N 1 0 297.742 1.978 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000044528027 175193012 /nfs/dbraw/zinc/19/30/12/175193012.db2.gz SHAVINQOYJKDPS-VIFPVBQESA-N 1 0 255.343 1.827 20 5 CDBDRO CC[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000045906710 175386118 /nfs/dbraw/zinc/38/61/18/175386118.db2.gz DJZNNBJPCDZVTG-UHFFFAOYSA-N 1 0 281.312 1.744 20 5 CDBDRO C[NH2+][C@@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000053204218 175544342 /nfs/dbraw/zinc/54/43/42/175544342.db2.gz VLZBGOXJAPQZQM-GFCCVEGCSA-N 1 0 267.304 1.918 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000071143127 176040648 /nfs/dbraw/zinc/04/06/48/176040648.db2.gz QRRPALCGSZEHPB-JTQLQIEISA-N 1 0 263.297 1.276 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000071143841 176041215 /nfs/dbraw/zinc/04/12/15/176041215.db2.gz TWWBQCXGMQXJTM-LBPRGKRZSA-N 1 0 277.324 1.205 20 5 CDBDRO Cc1c(C[NH2+]Cc2ccnn2C)cccc1[N+](=O)[O-] ZINC000071333973 176126696 /nfs/dbraw/zinc/12/66/96/176126696.db2.gz PHPVNFVWWZMWOB-UHFFFAOYSA-N 1 0 260.297 1.927 20 5 CDBDRO Cc1c(CNC(=O)N[C@@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000418054739 227986441 /nfs/dbraw/zinc/98/64/41/227986441.db2.gz AFTVIXRVNWIADB-LBPRGKRZSA-N 1 0 292.339 1.440 20 5 CDBDRO CCNC(=O)C(C)(C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000313072042 260243674 /nfs/dbraw/zinc/24/36/74/260243674.db2.gz FQMWDIDAZBBBBU-UHFFFAOYSA-N 1 0 295.339 1.608 20 5 CDBDRO [NH3+]C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CCCO1 ZINC000313361923 260287518 /nfs/dbraw/zinc/28/75/18/260287518.db2.gz YGFRUAQXTJRTHU-JTQLQIEISA-N 1 0 271.342 1.206 20 5 CDBDRO Cc1cc(C(=O)N[C@H](C)[C@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000394497895 261099309 /nfs/dbraw/zinc/09/93/09/261099309.db2.gz XNBLJEHWVDLEKY-DTWKUNHWSA-N 1 0 251.286 1.369 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000063192945 274238582 /nfs/dbraw/zinc/23/85/82/274238582.db2.gz GYSGZZJKBBWIHO-SCZZXKLOSA-N 1 0 266.301 1.265 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@H]1C[NH3+] ZINC000070176624 274289399 /nfs/dbraw/zinc/28/93/99/274289399.db2.gz SJQATYIWGHZCRI-BDAKNGLRSA-N 1 0 283.353 1.856 20 5 CDBDRO C[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CC[C@H]1[NH3+] ZINC000261807181 274371499 /nfs/dbraw/zinc/37/14/99/274371499.db2.gz RXERXRAUEWDAAV-VXNVDRBHSA-N 1 0 293.352 1.773 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000070177057 274554317 /nfs/dbraw/zinc/55/43/17/274554317.db2.gz SOOYCXWYVBHUOV-WPRPVWTQSA-N 1 0 283.353 1.856 20 5 CDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000286477456 274612327 /nfs/dbraw/zinc/61/23/27/274612327.db2.gz WHQNVIDVFNAYSU-VHSXEESVSA-N 1 0 292.343 1.030 20 5 CDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000286246832 274639280 /nfs/dbraw/zinc/63/92/80/274639280.db2.gz BZZZGXPNLIKEGM-JQWIXIFHSA-N 1 0 277.328 1.448 20 5 CDBDRO O=C(N[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000422746394 274985974 /nfs/dbraw/zinc/98/59/74/274985974.db2.gz NVGDBVSEQVXZSF-SECBINFHSA-N 1 0 286.291 1.235 20 5 CDBDRO C[N@@H+]1CC[C@@H](Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)C1 ZINC000487867302 277135314 /nfs/dbraw/zinc/13/53/14/277135314.db2.gz DJGVRNYZCWLSRR-LLVKDONJSA-N 1 0 287.319 1.861 20 5 CDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ncc([N+](=O)[O-])s2)C1 ZINC000190337093 277158403 /nfs/dbraw/zinc/15/84/03/277158403.db2.gz AZHGJHIJSSFLIN-NXEZZACHSA-N 1 0 282.369 1.972 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000128311386 277278517 /nfs/dbraw/zinc/27/85/17/277278517.db2.gz APTARCGUHQZZHB-NSHDSACASA-N 1 0 292.339 1.217 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CC[NH3+])c1 ZINC000349937786 278174834 /nfs/dbraw/zinc/17/48/34/278174834.db2.gz OHMJZELYHVRRSY-QMMMGPOBSA-N 1 0 283.353 1.784 20 5 CDBDRO CN(C)C(=O)C(C)(C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000114458089 279338522 /nfs/dbraw/zinc/33/85/22/279338522.db2.gz SWOCTGXHTOMWON-UHFFFAOYSA-N 1 0 295.339 1.430 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000063192944 279404845 /nfs/dbraw/zinc/40/48/45/279404845.db2.gz GYSGZZJKBBWIHO-WPRPVWTQSA-N 1 0 266.301 1.265 20 5 CDBDRO [NH3+]C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000236269259 279647316 /nfs/dbraw/zinc/64/73/16/279647316.db2.gz UGKXTARSJGXGTE-LBPRGKRZSA-N 1 0 277.324 1.842 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000217595699 280089238 /nfs/dbraw/zinc/08/92/38/280089238.db2.gz TYZPVFBHHDUTHA-DANTVBBOSA-N 1 0 289.335 1.948 20 5 CDBDRO C[C@@H]([N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1(C)CC1 ZINC000246095542 280253436 /nfs/dbraw/zinc/25/34/36/280253436.db2.gz HQJRFNIWKROETD-ZYHUDNBSSA-N 1 0 282.344 1.273 20 5 CDBDRO Cc1cc(C(=O)N2CCCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000044541994 280323618 /nfs/dbraw/zinc/32/36/18/280323618.db2.gz YEFICOQSWVLJBH-GFCCVEGCSA-N 1 0 277.324 1.857 20 5 CDBDRO C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000248956674 280397762 /nfs/dbraw/zinc/39/77/62/280397762.db2.gz QIYFIGWYJIMCSQ-FZMZJTMJSA-N 1 0 280.324 1.676 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H]1CC[NH2+]C1 ZINC000568394927 294027941 /nfs/dbraw/zinc/02/79/41/294027941.db2.gz BZJZAANZUZCVKW-GFCCVEGCSA-N 1 0 292.339 1.135 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000571443520 294438099 /nfs/dbraw/zinc/43/80/99/294438099.db2.gz FVMZEEXZCJUNEC-BDAKNGLRSA-N 1 0 281.312 1.459 20 5 CDBDRO C[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])S(C)(=O)=O ZINC000573137421 294762244 /nfs/dbraw/zinc/76/22/44/294762244.db2.gz NNNNMKXJBJZIFM-CABZTGNLSA-N 1 0 298.364 1.605 20 5 CDBDRO [NH3+]C[C@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000236186366 295276424 /nfs/dbraw/zinc/27/64/24/295276424.db2.gz ALYIEEAVARYNCT-QMMMGPOBSA-N 1 0 271.704 1.412 20 5 CDBDRO COc1cccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000423594881 295288840 /nfs/dbraw/zinc/28/88/40/295288840.db2.gz PDQQYSZNPJJLNW-ZJUUUORDSA-N 1 0 293.323 1.603 20 5 CDBDRO Cc1nc(N[C@@H]2CCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000124143956 302611134 /nfs/dbraw/zinc/61/11/34/302611134.db2.gz UTPGYWHFAHOBPY-NXEZZACHSA-N 1 0 250.302 1.838 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000576347145 317122696 /nfs/dbraw/zinc/12/26/96/317122696.db2.gz KQVVRDDQRILJEU-NXEZZACHSA-N 1 0 292.339 1.376 20 5 CDBDRO CC(C)([NH3+])CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000381474515 323627805 /nfs/dbraw/zinc/62/78/05/323627805.db2.gz OJIBTHNJYPFYAP-FPLPWBNLSA-N 1 0 263.297 1.462 20 5 CDBDRO Cc1ccc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000382458953 323642578 /nfs/dbraw/zinc/64/25/78/323642578.db2.gz SWRRUPHJVZKYNO-JQWIXIFHSA-N 1 0 277.324 1.760 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385200686 323702447 /nfs/dbraw/zinc/70/24/47/323702447.db2.gz FMQLMDPPLUQDNB-MFKMUULPSA-N 1 0 277.324 1.397 20 5 CDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000393395061 323831186 /nfs/dbraw/zinc/83/11/86/323831186.db2.gz HAMNBQNRNHZWJD-GFCCVEGCSA-N 1 0 277.324 1.713 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cc[nH]n2)n1 ZINC000578832501 324031656 /nfs/dbraw/zinc/03/16/56/324031656.db2.gz SQPXTJBXQIYIQQ-NEPJUHHUSA-N 1 0 290.327 1.788 20 5 CDBDRO CNc1ccc(C(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000579241566 324138524 /nfs/dbraw/zinc/13/85/24/324138524.db2.gz CJEIBQNBVZZTQB-NXEZZACHSA-N 1 0 292.339 1.459 20 5 CDBDRO CC[N@H+](C)C[C@@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000579490175 324202833 /nfs/dbraw/zinc/20/28/33/324202833.db2.gz PMZHJRLVKZHUGO-FZMZJTMJSA-N 1 0 281.356 1.558 20 5 CDBDRO CC[NH2+]CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000236974553 519922906 /nfs/dbraw/zinc/92/29/06/519922906.db2.gz XGBKRZCSWBLVQH-UHFFFAOYSA-N 1 0 271.704 1.588 20 5 CDBDRO C[C@@H]1CCC[C@@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304275607 533762740 /nfs/dbraw/zinc/76/27/40/533762740.db2.gz CQEQICZXJSFTCV-BZPMIXESSA-N 1 0 296.371 1.663 20 5 CDBDRO COc1cc(C)c([N+](=O)[O-])cc1-n1c(C)cnc1C[NH3+] ZINC001169029889 1161997450 /nfs/dbraw/zinc/99/74/50/1161997450.db2.gz XGFLMJUGHJJLPU-UHFFFAOYSA-N 1 0 276.296 1.865 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2)C1 ZINC001168967630 1161996273 /nfs/dbraw/zinc/99/62/73/1161996273.db2.gz ROOXTDWLXMJOJK-NWDGAFQWSA-N 1 0 250.298 1.927 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261596501 535969147 /nfs/dbraw/zinc/96/91/47/535969147.db2.gz ORCIDYHNZCLQQY-WPRPVWTQSA-N 1 0 267.333 1.293 20 5 CDBDRO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000153476531 534306037 /nfs/dbraw/zinc/30/60/37/534306037.db2.gz ZTMAYDMOZSHUNL-PHIMTYICSA-N 1 0 293.323 1.182 20 5 CDBDRO COC[C@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245438760 522600530 /nfs/dbraw/zinc/60/05/30/522600530.db2.gz FMGHKPPUDMGZHS-WDEREUQCSA-N 1 0 280.328 1.511 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1C[NH3+] ZINC000163606665 524488110 /nfs/dbraw/zinc/48/81/10/524488110.db2.gz SYSDDADZQFTFBK-BDAKNGLRSA-N 1 0 267.285 1.245 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000307908798 527794223 /nfs/dbraw/zinc/79/42/23/527794223.db2.gz UUNAVLRQCWSATE-LLVKDONJSA-N 1 0 278.312 1.857 20 5 CDBDRO COC[C@]1(CNc2ccc([N+](=O)[O-])c(OC)c2)CCC[NH2+]1 ZINC000261648102 536687795 /nfs/dbraw/zinc/68/77/95/536687795.db2.gz JHZWZMJPKLGTEF-CQSZACIVSA-N 1 0 295.339 1.784 20 5 CDBDRO COCC1([N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000761102429 574932949 /nfs/dbraw/zinc/93/29/49/574932949.db2.gz RGUQXNANZIUYCR-ZDUSSCGKSA-N 1 0 280.324 1.739 20 5 CDBDRO CC[NH+](CC)CCOC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000772238994 575674870 /nfs/dbraw/zinc/67/48/70/575674870.db2.gz NUOPFPANCQSJOU-UHFFFAOYSA-N 1 0 282.300 1.071 20 5 CDBDRO O=C(C[NH2+][C@H](CCO)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000763067139 576707888 /nfs/dbraw/zinc/70/78/88/576707888.db2.gz OWTOXJHWLNORAP-LLVKDONJSA-N 1 0 293.323 1.284 20 5 CDBDRO C[C@@H]([NH2+][C@H](CO)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000763071530 576709006 /nfs/dbraw/zinc/70/90/06/576709006.db2.gz SAXRRBDOOKURJV-NOZJJQNGSA-N 1 0 293.323 1.282 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)OCC[NH+]1CCCCC1 ZINC000763295186 576729693 /nfs/dbraw/zinc/72/96/93/576729693.db2.gz YDXABWSICMSBAJ-UHFFFAOYSA-N 1 0 293.323 1.820 20 5 CDBDRO C[C@H]1COC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000932495553 617316878 /nfs/dbraw/zinc/31/68/78/617316878.db2.gz CIHWXJVOYYUBQK-GZMMTYOYSA-N 1 0 277.280 1.861 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NCC1(C[NH+](C)C)CCCC1 ZINC000893185152 617446645 /nfs/dbraw/zinc/44/66/45/617446645.db2.gz VISLKOQQJQHEEL-UHFFFAOYSA-N 1 0 281.360 1.862 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000892674798 617581400 /nfs/dbraw/zinc/58/14/00/617581400.db2.gz YQHOJXMRRHGCJI-NXEZZACHSA-N 1 0 280.328 1.893 20 5 CDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1c([N+](=O)[O-])cnn1C ZINC000892697953 617600132 /nfs/dbraw/zinc/60/01/32/617600132.db2.gz ZHEYKSUUFVKFKK-NSHDSACASA-N 1 0 281.360 1.639 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000132734407 617634023 /nfs/dbraw/zinc/63/40/23/617634023.db2.gz TYILZPYWPVIDCE-MRVPVSSYSA-N 1 0 267.260 1.168 20 5 CDBDRO CC[NH+](CC)[C@@H]1CCN(c2c([N+](=O)[O-])cnn2C)C1 ZINC000892730988 617672908 /nfs/dbraw/zinc/67/29/08/617672908.db2.gz UNOMAWLFZCBFIH-SNVBAGLBSA-N 1 0 267.333 1.249 20 5 CDBDRO C[C@@H](CNc1c([N+](=O)[O-])cnn1C)C[NH+]1CCCCC1 ZINC000891913527 617763457 /nfs/dbraw/zinc/76/34/57/617763457.db2.gz HXSOEFVLRDJEEF-NSHDSACASA-N 1 0 281.360 1.862 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000843057824 618691685 /nfs/dbraw/zinc/69/16/85/618691685.db2.gz LWAQXPJMTPWPRJ-ZANVPECISA-N 1 0 299.758 1.796 20 5 CDBDRO COCC1(C)CN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000894839695 619090610 /nfs/dbraw/zinc/09/06/10/619090610.db2.gz GZVBKACTWCTECS-UHFFFAOYSA-N 1 0 296.323 1.777 20 5 CDBDRO CON(C)C(=O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000895041338 619219151 /nfs/dbraw/zinc/21/91/51/619219151.db2.gz TWVIBXWUKIVCSX-ALCCZGGFSA-N 1 0 279.296 1.217 20 5 CDBDRO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000895317052 619548338 /nfs/dbraw/zinc/54/83/38/619548338.db2.gz LWGOWBQSTRZCLZ-LLVKDONJSA-N 1 0 263.297 1.209 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@@H]2COC[C@H]2C)c1[N+](=O)[O-] ZINC000896733873 620216871 /nfs/dbraw/zinc/21/68/71/620216871.db2.gz SRPCRIYXCDTRSS-PSASIEDQSA-N 1 0 282.296 1.434 20 5 CDBDRO C[C@H](C[NH2+]CC[N+](=O)[O-])COCc1ccccc1 ZINC000899873493 622499059 /nfs/dbraw/zinc/49/90/59/622499059.db2.gz PZGFGGFYTZBEGU-GFCCVEGCSA-N 1 0 252.314 1.706 20 5 CDBDRO COc1ccc(CC[NH2+]CC[N+](=O)[O-])c(OC)c1OC ZINC000905086203 626603145 /nfs/dbraw/zinc/60/31/45/626603145.db2.gz BIQMGFZHUFTZTD-UHFFFAOYSA-N 1 0 284.312 1.121 20 5 CDBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNCC[N+](=O)[O-])C1 ZINC000905062209 626611128 /nfs/dbraw/zinc/61/11/28/626611128.db2.gz LFLYXCRCRMLXKU-VXGBXAGGSA-N 1 0 257.378 1.609 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000905159572 626642031 /nfs/dbraw/zinc/64/20/31/626642031.db2.gz OAEHNMPINSXKFM-UHFFFAOYSA-N 1 0 262.269 1.145 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C1CC(OCc2ccccc2)C1 ZINC000905215259 626695832 /nfs/dbraw/zinc/69/58/32/626695832.db2.gz MKVVXNTZLBNTLP-UHFFFAOYSA-N 1 0 250.298 1.601 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000905340944 626775320 /nfs/dbraw/zinc/77/53/20/626775320.db2.gz KDUFMHODUDNAKE-JTQLQIEISA-N 1 0 278.230 1.605 20 5 CDBDRO COCC1C[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000905972732 627062614 /nfs/dbraw/zinc/06/26/14/627062614.db2.gz SPCZFQHBIGFEFA-CYBMUJFWSA-N 1 0 266.297 1.206 20 5 CDBDRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000911811353 629543126 /nfs/dbraw/zinc/54/31/26/629543126.db2.gz OEKQEMDBERPGGO-SWHYSGLUSA-N 1 0 289.335 1.519 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC([NH+]2CCC2)CC1 ZINC000912876377 630261554 /nfs/dbraw/zinc/26/15/54/630261554.db2.gz IBUYEECWEWCCBJ-UHFFFAOYSA-N 1 0 290.323 1.300 20 5 CDBDRO Cc1nn(CN2CC[C@@H](C[NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000153159265 631476421 /nfs/dbraw/zinc/47/64/21/631476421.db2.gz VSOXVYZPFPVUOS-LBPRGKRZSA-N 1 0 281.360 1.249 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC001170298389 1162328546 /nfs/dbraw/zinc/32/85/46/1162328546.db2.gz KUIFEVOPWIVOQQ-CMPLNLGQSA-N 1 0 280.324 1.913 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]CCN2CCC2)c([N+](=O)[O-])c1 ZINC001170317917 1162335895 /nfs/dbraw/zinc/33/58/95/1162335895.db2.gz MDXMBFYCSFNTMT-LBPRGKRZSA-N 1 0 293.367 1.830 20 5 CDBDRO COc1ccc(C[C@@H](C)[N@@H+]2C[C@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170330336 1162338594 /nfs/dbraw/zinc/33/85/94/1162338594.db2.gz ZKNSPPVXKZEQEO-FIXISWKDSA-N 1 0 294.351 1.847 20 5 CDBDRO [NH3+]C[C@@]1(F)CCN(c2cc(Cl)ncc2[N+](=O)[O-])C1 ZINC001157812871 1162443789 /nfs/dbraw/zinc/44/37/89/1162443789.db2.gz KMKSOACJVUEYOY-JTQLQIEISA-N 1 0 274.683 1.520 20 5 CDBDRO Cc1cnc(N[C@@H](C)[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC001170571051 1162958836 /nfs/dbraw/zinc/95/88/36/1162958836.db2.gz XUSVOQBVVBCXRQ-GXSJLCMTSA-N 1 0 266.301 1.087 20 5 CDBDRO COc1cc(C)c([N+](=O)[O-])cc1-n1ccc(C[NH3+])cc1=N ZINC001167688951 1159414364 /nfs/dbraw/zinc/41/43/64/1159414364.db2.gz BTCSDGZCYMCXDF-UHFFFAOYSA-N 1 0 288.307 1.641 20 5 CDBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877170185 1165985775 /nfs/dbraw/zinc/98/57/75/1165985775.db2.gz JKEOYYKMKKTNLU-DTORHVGOSA-N 1 0 295.726 1.825 20 5 CDBDRO CC(C)(C)[NH2+]CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000051154943 1166700114 /nfs/dbraw/zinc/70/01/14/1166700114.db2.gz YNZWBSNIXPZCCV-UHFFFAOYSA-N 1 0 265.313 1.599 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)n1 ZINC001155623945 1167265464 /nfs/dbraw/zinc/26/54/64/1167265464.db2.gz ULLCKRWXZPHDCA-GXFFZTMASA-N 1 0 293.327 1.016 20 5 CDBDRO CC1(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[NH2+]C1 ZINC001576539256 1171450985 /nfs/dbraw/zinc/45/09/85/1171450985.db2.gz DVSSWXMHDSDROD-UHFFFAOYSA-N 1 0 288.307 1.028 20 5 CDBDRO CN(c1nc2ccccc2cc1[N+](=O)[O-])[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578507800 1171935847 /nfs/dbraw/zinc/93/58/47/1171935847.db2.gz ZSXPDWCUNULIRD-YABSGUDNSA-N 1 0 284.319 1.797 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001579179380 1172111611 /nfs/dbraw/zinc/11/16/11/1172111611.db2.gz IDFGPBREXJFDEJ-ZJUUUORDSA-N 1 0 293.323 1.189 20 5 CDBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CC[NH2+]1 ZINC001579607678 1172221838 /nfs/dbraw/zinc/22/18/38/1172221838.db2.gz DLOMBCCUCUDEJB-VIFPVBQESA-N 1 0 281.287 1.476 20 5 CDBDRO O=[N+]([O-])c1cccnc1N[C@@H]1CC2(C[NH2+]C2)n2ccnc21 ZINC001580875305 1172558280 /nfs/dbraw/zinc/55/82/80/1172558280.db2.gz IIPFSHHOXMVONV-SECBINFHSA-N 1 0 286.295 1.042 20 5 CDBDRO CN(CC1CC[NH2+]CC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000228393589 1178111676 /nfs/dbraw/zinc/11/16/76/1178111676.db2.gz DOSZXXSTMNYCJY-UHFFFAOYSA-N 1 0 291.351 1.595 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]1C[NH3+] ZINC000156097299 1178171560 /nfs/dbraw/zinc/17/15/60/1178171560.db2.gz XAFQWLSEOVBZFE-SNVBAGLBSA-N 1 0 299.352 1.015 20 5 CDBDRO Cc1nc(Cl)nc(N[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000234327007 1178217014 /nfs/dbraw/zinc/21/70/14/1178217014.db2.gz QABSTMCLVVHZEI-ZETCQYMHSA-N 1 0 271.708 1.463 20 5 CDBDRO C[C@@H]1[NH2+]C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])s2)[C@H]1C ZINC000401230689 1186408285 /nfs/dbraw/zinc/40/82/85/1186408285.db2.gz MZIPRHIRJHKTAX-CIUDSAMLSA-N 1 0 283.353 1.867 20 5 CDBDRO CC(C)([NH3+])CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000405885901 1186579785 /nfs/dbraw/zinc/57/97/85/1186579785.db2.gz KDEHKELHOGVSLZ-UHFFFAOYSA-N 1 0 265.313 1.381 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CSc1ncc([N+](=O)[O-])c(N)n1 ZINC000917783289 729364883 /nfs/dbraw/zinc/36/48/83/729364883.db2.gz ASQGUNFSDYTJGB-SSDOTTSWSA-N 1 0 269.330 1.153 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000092132647 728835133 /nfs/dbraw/zinc/83/51/33/728835133.db2.gz AQEKMYOKGFDXSA-VIFPVBQESA-N 1 0 251.286 1.697 20 5 CDBDRO COCCCNC(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932181486 728870178 /nfs/dbraw/zinc/87/01/78/728870178.db2.gz VICDGYJPMIFXQN-LLVKDONJSA-N 1 0 295.339 1.398 20 5 CDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C2 ZINC000857008598 728879174 /nfs/dbraw/zinc/87/91/74/728879174.db2.gz NRFXAHVRHNGADF-XPTSAGLGSA-N 1 0 293.298 1.687 20 5 CDBDRO CNC(=O)C1(NCc2ccc(F)cc2[N+](=O)[O-])CCCC1 ZINC000851843788 728907288 /nfs/dbraw/zinc/90/72/88/728907288.db2.gz JMFPQHLYTOTKMX-UHFFFAOYSA-N 1 0 295.314 1.882 20 5 CDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCC(=O)O1 ZINC000852037796 728952816 /nfs/dbraw/zinc/95/28/16/728952816.db2.gz ANOAPEWVOBOZNS-GFCCVEGCSA-N 1 0 278.308 1.775 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000843507289 729083421 /nfs/dbraw/zinc/08/34/21/729083421.db2.gz LMLDMIXWVZKOBD-YUMQZZPRSA-N 1 0 266.301 1.033 20 5 CDBDRO CCOC[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591973 728433952 /nfs/dbraw/zinc/43/39/52/728433952.db2.gz NIEDOYXQYZVSRP-IUODEOHRSA-N 1 0 294.351 1.987 20 5 CDBDRO [NH3+][C@@H]1CCCCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886841324 728443155 /nfs/dbraw/zinc/44/31/55/728443155.db2.gz IEJLFCBJKCVUJO-GFCCVEGCSA-N 1 0 264.329 1.693 20 5 CDBDRO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)[NH+](C)C ZINC000129603521 728452042 /nfs/dbraw/zinc/45/20/42/728452042.db2.gz XUEXHKRPTLMNFG-QMMMGPOBSA-N 1 0 285.731 1.928 20 5 CDBDRO C[NH+](C)[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1CC1 ZINC000822628997 728468089 /nfs/dbraw/zinc/46/80/89/728468089.db2.gz DWYYRBVZZNUKAY-LLVKDONJSA-N 1 0 271.361 1.278 20 5 CDBDRO CCN(CC)C(=O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000064411449 728501297 /nfs/dbraw/zinc/50/12/97/728501297.db2.gz DHRMZFJMNWCHQA-UHFFFAOYSA-N 1 0 279.340 1.861 20 5 CDBDRO C[C@@H](CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000823615185 728540648 /nfs/dbraw/zinc/54/06/48/728540648.db2.gz DRJVFMFDZPISST-BPNCWPANSA-N 1 0 291.351 1.765 20 5 CDBDRO CO[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000819333048 728590614 /nfs/dbraw/zinc/59/06/14/728590614.db2.gz FRVKHVYCUZHAQV-KBPBESRZSA-N 1 0 280.324 1.643 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H](CO)C1CC1)OCCO2 ZINC000883002788 728591509 /nfs/dbraw/zinc/59/15/09/728591509.db2.gz OUMGBJRUNYHQRF-LLVKDONJSA-N 1 0 294.307 1.227 20 5 CDBDRO Cc1c(C[NH2+]CCC[S@](C)=O)cccc1[N+](=O)[O-] ZINC000229241911 728591757 /nfs/dbraw/zinc/59/17/57/728591757.db2.gz RBJIUXSFCYITHE-SFHVURJKSA-N 1 0 270.354 1.761 20 5 CDBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886161983 729129954 /nfs/dbraw/zinc/12/99/54/729129954.db2.gz BTQVFXSFLMSIDK-ZDUSSCGKSA-N 1 0 265.313 1.727 20 5 CDBDRO Cc1cc(C(=O)NC[C@H]2C[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000715146352 729138724 /nfs/dbraw/zinc/13/87/24/729138724.db2.gz RBPXMRYOCAQHTC-HOMQSWHASA-N 1 0 263.297 1.370 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC(C[NH+](C)C)C2)n1 ZINC000853651376 729224196 /nfs/dbraw/zinc/22/41/96/729224196.db2.gz BFCSVGPHXNGDEV-UHFFFAOYSA-N 1 0 250.302 1.296 20 5 CDBDRO C[C@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000776582898 729224629 /nfs/dbraw/zinc/22/46/29/729224629.db2.gz WDSGAUGDFHLAFE-FZMZJTMJSA-N 1 0 280.324 1.739 20 5 CDBDRO CN(CC[N+](=O)[O-])Cc1ccc(C(=O)NC2CC2)cc1 ZINC000929873401 729226604 /nfs/dbraw/zinc/22/66/04/729226604.db2.gz TYVUIHUBGQFDLO-UHFFFAOYSA-N 1 0 277.324 1.287 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1COCC[C@H]1O ZINC000866498445 729252040 /nfs/dbraw/zinc/25/20/40/729252040.db2.gz ZPMUDKOSZQUHPS-GAJTVXKRSA-N 1 0 298.314 1.404 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000886232225 729303439 /nfs/dbraw/zinc/30/34/39/729303439.db2.gz SICNTAQZSJVIAF-KGLIPLIRSA-N 1 0 291.351 1.877 20 5 CDBDRO CC(C)C[C@@H](CO)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886142761 729305753 /nfs/dbraw/zinc/30/57/53/729305753.db2.gz KFTXZSVMIZHZIF-LBPRGKRZSA-N 1 0 267.329 1.829 20 5 CDBDRO COc1cc(Cc2noc([C@H](C)C[NH3+])n2)ccc1[N+](=O)[O-] ZINC000822864058 729336497 /nfs/dbraw/zinc/33/64/97/729336497.db2.gz WXBMNJUJPUMWOX-MRVPVSSYSA-N 1 0 292.295 1.639 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000702655767 729336504 /nfs/dbraw/zinc/33/65/04/729336504.db2.gz VFDGKMJHJJCKEU-KWQFWETISA-N 1 0 253.277 1.655 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000886837243 729342451 /nfs/dbraw/zinc/34/24/51/729342451.db2.gz CXJUDROWUQEFRH-CMPLNLGQSA-N 1 0 262.313 1.174 20 5 CDBDRO CC(C)COC[C@H](O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015736 729366972 /nfs/dbraw/zinc/36/69/72/729366972.db2.gz FDLXJQVYFYIAOJ-CYBMUJFWSA-N 1 0 282.340 1.718 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(CC[NH2+]C)CC1 ZINC000091558180 729372230 /nfs/dbraw/zinc/37/22/30/729372230.db2.gz SGNBITARUYFQBT-UHFFFAOYSA-N 1 0 295.387 1.946 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000873129859 729377038 /nfs/dbraw/zinc/37/70/38/729377038.db2.gz RYDGHUXDINUDFO-PHIMTYICSA-N 1 0 250.298 1.825 20 5 CDBDRO COCC[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275121 729379291 /nfs/dbraw/zinc/37/92/91/729379291.db2.gz GIBXWRFUOPNVLT-LBPRGKRZSA-N 1 0 254.286 1.206 20 5 CDBDRO C[C@@H]([NH2+]CCN1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597668 729389354 /nfs/dbraw/zinc/38/93/54/729389354.db2.gz BICWUHSWVLLKON-SNVBAGLBSA-N 1 0 264.329 1.533 20 5 CDBDRO C[C@@H](N[C@@H]1C[NH2+]CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000925824878 729396009 /nfs/dbraw/zinc/39/60/09/729396009.db2.gz FJXURKPLMXPZFG-ZYHUDNBSSA-N 1 0 265.313 1.234 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2(CO)CCCC2)cc1 ZINC000160155794 729396378 /nfs/dbraw/zinc/39/63/78/729396378.db2.gz RZAGSWLMNDWHAT-AWEZNQCLSA-N 1 0 294.351 1.771 20 5 CDBDRO CC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)O ZINC000843080265 729401867 /nfs/dbraw/zinc/40/18/67/729401867.db2.gz RQTGVDDNZWJRPX-ICCXJUOJSA-N 1 0 268.313 1.377 20 5 CDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000794578319 729476822 /nfs/dbraw/zinc/47/68/22/729476822.db2.gz YBSSDGPPTLFJAU-CMPLNLGQSA-N 1 0 295.314 1.738 20 5 CDBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000702038727 729520710 /nfs/dbraw/zinc/52/07/10/729520710.db2.gz KFIWFEDGKNLNCI-SECBINFHSA-N 1 0 299.714 1.048 20 5 CDBDRO CC[C@H](CCO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788600422 729551231 /nfs/dbraw/zinc/55/12/31/729551231.db2.gz CTEYLLOFEIPPDM-GXSJLCMTSA-N 1 0 267.329 1.989 20 5 CDBDRO [NH3+]C[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000313364143 729564524 /nfs/dbraw/zinc/56/45/24/729564524.db2.gz XDWMLZJMDCSUAQ-LBPRGKRZSA-N 1 0 299.758 1.798 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[NH+]1CCCC1 ZINC000193527720 729564625 /nfs/dbraw/zinc/56/46/25/729564625.db2.gz ZYUUMEQVYJDXTL-UHFFFAOYSA-N 1 0 277.324 1.649 20 5 CDBDRO C[NH+](C)C1(C(=O)NCc2ccccc2[N+](=O)[O-])CCC1 ZINC000119613962 729589899 /nfs/dbraw/zinc/58/98/99/729589899.db2.gz MZTLGYUBARXEMO-UHFFFAOYSA-N 1 0 277.324 1.695 20 5 CDBDRO Cc1c(C[NH2+]C[C@@H]2CCCS2(=O)=O)cccc1[N+](=O)[O-] ZINC000134066936 729706839 /nfs/dbraw/zinc/70/68/39/729706839.db2.gz ZIHCWSAIXHMDPA-LBPRGKRZSA-N 1 0 298.364 1.570 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3cccc(F)c3[N+](=O)[O-])C[C@@H]21 ZINC000828987444 729707369 /nfs/dbraw/zinc/70/73/69/729707369.db2.gz DPWKRTKROWGBOG-SKDRFNHKSA-N 1 0 265.288 1.874 20 5 CDBDRO COC[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788822022 729741601 /nfs/dbraw/zinc/74/16/01/729741601.db2.gz HXJHEMWVSVMUKX-BDAKNGLRSA-N 1 0 253.302 1.863 20 5 CDBDRO C[N@H+](CCC(N)=O)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796596089 729802688 /nfs/dbraw/zinc/80/26/88/729802688.db2.gz PIQNXMCTAVCSHX-UHFFFAOYSA-N 1 0 271.704 1.555 20 5 CDBDRO O=C(NCCC[NH2+]C1CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000037669334 729822944 /nfs/dbraw/zinc/82/29/44/729822944.db2.gz VWWUZFZUWNBXHW-UHFFFAOYSA-N 1 0 281.287 1.606 20 5 CDBDRO COCC[NH2+]CCNc1cc(C)ccc1[N+](=O)[O-] ZINC000215527392 729889281 /nfs/dbraw/zinc/88/92/81/729889281.db2.gz MNTIHZIXUFOPME-UHFFFAOYSA-N 1 0 253.302 1.551 20 5 CDBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000158620643 729928192 /nfs/dbraw/zinc/92/81/92/729928192.db2.gz JPWOQWJEDQSVCC-LEWSCRJBSA-N 1 0 280.324 1.785 20 5 CDBDRO C[NH+](C)CCCS(=O)(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000866378259 729959549 /nfs/dbraw/zinc/95/95/49/729959549.db2.gz VVSZWAFBVUMILO-UHFFFAOYSA-N 1 0 288.325 1.255 20 5 CDBDRO COCCN(C)C(=[NH2+])NCc1cccc([N+](=O)[O-])c1C ZINC000871606849 729962642 /nfs/dbraw/zinc/96/26/42/729962642.db2.gz XKXQYNKKRGCFQL-UHFFFAOYSA-N 1 0 280.328 1.506 20 5 CDBDRO O=C(C[NH+]1CCCC1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000874150559 729970724 /nfs/dbraw/zinc/97/07/24/729970724.db2.gz GWOXSNXYTYBGAU-UHFFFAOYSA-N 1 0 277.324 1.349 20 5 CDBDRO COCCN(C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777953594 729971110 /nfs/dbraw/zinc/97/11/10/729971110.db2.gz HZRAHKKWGWMWKN-UHFFFAOYSA-N 1 0 290.323 1.994 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923392166 729975874 /nfs/dbraw/zinc/97/58/74/729975874.db2.gz HKAHQXOUFRIKON-QKCSRTOESA-N 1 0 279.340 1.440 20 5 CDBDRO [NH3+][C@@H](CC1CC1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000884173477 729980197 /nfs/dbraw/zinc/98/01/97/729980197.db2.gz XDGNOBBSSLOUGL-LBPRGKRZSA-N 1 0 297.742 1.992 20 5 CDBDRO CO[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581269 729981172 /nfs/dbraw/zinc/98/11/72/729981172.db2.gz GIAJPMIESNXSQR-ZIAGYGMSSA-N 1 0 280.324 1.739 20 5 CDBDRO CC[C@@]1(CO)CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000784394727 730013532 /nfs/dbraw/zinc/01/35/32/730013532.db2.gz VWAKZUTTXRDQKJ-CABCVRRESA-N 1 0 294.351 1.865 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000128578199 730013910 /nfs/dbraw/zinc/01/39/10/730013910.db2.gz ZGFGSXVDVPEYGW-RNCFNFMXSA-N 1 0 299.758 1.796 20 5 CDBDRO CO[C@@H]1CCC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000886026612 730036634 /nfs/dbraw/zinc/03/66/34/730036634.db2.gz ZRTGXXCVVKOJSH-DGCLKSJQSA-N 1 0 282.344 1.729 20 5 CDBDRO [NH3+]C[C@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000050249754 730051370 /nfs/dbraw/zinc/05/13/70/730051370.db2.gz ZULWDPZZYVCYKD-SNVBAGLBSA-N 1 0 272.308 1.928 20 5 CDBDRO C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)[NH2+]1 ZINC000070078133 730062452 /nfs/dbraw/zinc/06/24/52/730062452.db2.gz YYFHIUQZEKDDCZ-VXGBXAGGSA-N 1 0 263.341 1.820 20 5 CDBDRO Nc1ccc(NCCC[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000853202670 730334709 /nfs/dbraw/zinc/33/47/09/730334709.db2.gz QLZNLLMCWNFLOM-UHFFFAOYSA-N 1 0 294.355 1.436 20 5 CDBDRO C[C@@H](CCNc1nc2ccccn2c1[N+](=O)[O-])[NH+](C)C ZINC000853798713 730383527 /nfs/dbraw/zinc/38/35/27/730383527.db2.gz JGDGQURSVXBYOA-JTQLQIEISA-N 1 0 277.328 1.995 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCC2CC(O)C2)cc1 ZINC000702487610 730418248 /nfs/dbraw/zinc/41/82/48/730418248.db2.gz MNVORLALJMCQFS-DBRPNBKGSA-N 1 0 280.324 1.379 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](C)CO)c1F ZINC001173174896 912280319 /nfs/dbraw/zinc/28/03/19/912280319.db2.gz FLKOCWXWGLVSAZ-RKDXNWHRSA-N 1 0 286.303 1.644 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CNC(=O)C1 ZINC001173217859 912303545 /nfs/dbraw/zinc/30/35/45/912303545.db2.gz MSNTVRHAXYTMDG-JQWIXIFHSA-N 1 0 277.324 1.252 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCNC(=O)C1 ZINC001173221264 912304059 /nfs/dbraw/zinc/30/40/59/912304059.db2.gz GWGBGYNRKJHOBZ-NSHDSACASA-N 1 0 277.324 1.348 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)C(N)=O ZINC001173213110 912335486 /nfs/dbraw/zinc/33/54/86/912335486.db2.gz FJKNMIIGIZFSKU-SNVBAGLBSA-N 1 0 279.340 1.627 20 5 CDBDRO Cc1ncc(C[NH3+])c(=N)n1-c1cc([N+](=O)[O-])ccc1Cl ZINC001167674265 897654758 /nfs/dbraw/zinc/65/47/58/897654758.db2.gz OUOUKDADKUBJAQ-UHFFFAOYSA-N 1 0 293.714 1.680 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001167690717 898218472 /nfs/dbraw/zinc/21/84/72/898218472.db2.gz UGWYHTLHIBLIDX-UHFFFAOYSA-N 1 0 283.291 1.805 20 5 CDBDRO CN(C)c1ccc(-n2ccc(C[NH3+])cc2=N)c([N+](=O)[O-])c1 ZINC001167691153 898222883 /nfs/dbraw/zinc/22/28/83/898222883.db2.gz AFIRJAOHEMVONN-UHFFFAOYSA-N 1 0 287.323 1.390 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001167691325 898231196 /nfs/dbraw/zinc/23/11/96/898231196.db2.gz OQWHRYDPFFJUMO-UHFFFAOYSA-N 1 0 284.279 1.200 20 5 CDBDRO N=C(Nc1cnc(Cl)cc1[N+](=O)[O-])SCC[NH3+] ZINC001167914078 901025654 /nfs/dbraw/zinc/02/56/54/901025654.db2.gz RLFOVWGLECQRFJ-UHFFFAOYSA-N 1 0 275.721 1.682 20 5 CDBDRO C[N@@H+]1CC[C@H](Oc2ccnc(Cl)c2[N+](=O)[O-])C1 ZINC000710629445 903346412 /nfs/dbraw/zinc/34/64/12/903346412.db2.gz BMRTUWBFSSWTGM-ZETCQYMHSA-N 1 0 257.677 1.726 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1OC1CC[NH+](C)CC1 ZINC001226761920 905580410 /nfs/dbraw/zinc/58/04/10/905580410.db2.gz NWKVXHWUIGPIIR-UHFFFAOYSA-N 1 0 251.286 1.771 20 5 CDBDRO O=C(NCC[NH2+]CCC1=CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936271 909929625 /nfs/dbraw/zinc/92/96/25/909929625.db2.gz DOMIBZJHNNQPIC-CHWSQXEVSA-N 1 0 281.356 1.248 20 5 CDBDRO Cc1ccc(NCCNC(=O)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001094089976 910322893 /nfs/dbraw/zinc/32/28/93/910322893.db2.gz RFROGMPNNZYZPR-UHFFFAOYSA-N 1 0 294.355 1.383 20 5 CDBDRO Cc1c([N+](=O)[O-])cc(F)cc1-n1ccnc1C(N)=[NH2+] ZINC001168415996 912123150 /nfs/dbraw/zinc/12/31/50/912123150.db2.gz PLLBFVQETMCMHU-UHFFFAOYSA-N 1 0 263.232 1.512 20 5 CDBDRO O=C(NCCCCCC[NH2+]CC1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458486 915448058 /nfs/dbraw/zinc/44/80/58/915448058.db2.gz JCEXJKUZBRBJFA-CHWSQXEVSA-N 1 0 283.372 1.328 20 5 CDBDRO CC1(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001127846123 918749942 /nfs/dbraw/zinc/74/99/42/918749942.db2.gz YAUJQZOUWNMLFU-UHFFFAOYSA-N 1 0 277.324 1.601 20 5 CDBDRO [NH3+]CC[C@@H]1CN(c2nccnc2[N+](=O)[O-])c2ccccc21 ZINC001168546573 919011265 /nfs/dbraw/zinc/01/12/65/919011265.db2.gz VYRVXLMVIUJQLR-SNVBAGLBSA-N 1 0 285.307 1.969 20 5 CDBDRO CCC1(Nc2cccc(OC)c2[N+](=O)[O-])C[NH2+]C1 ZINC001168583727 919295261 /nfs/dbraw/zinc/29/52/61/919295261.db2.gz SQXOSBCUBIFUKX-UHFFFAOYSA-N 1 0 251.286 1.767 20 5 CDBDRO Cc1c(F)cc([N+](=O)[O-])cc1NC(=[NH2+])N1CCN(C)CC1 ZINC001168746118 922018986 /nfs/dbraw/zinc/01/89/86/922018986.db2.gz CPZPAXYEGYUTTD-UHFFFAOYSA-N 1 0 295.318 1.636 20 5 CDBDRO C[C@H]1CC[C@H](C[NH3+])N(c2ncc([N+](=O)[O-])cc2F)C1 ZINC001164069418 924553050 /nfs/dbraw/zinc/55/30/50/924553050.db2.gz KGPIATSUCBLXQC-DTWKUNHWSA-N 1 0 268.292 1.693 20 5 CDBDRO O=C(CCCF)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001164065080 924557413 /nfs/dbraw/zinc/55/74/13/924557413.db2.gz YZUQDVULDWVDND-UHFFFAOYSA-N 1 0 297.330 1.940 20 5 CDBDRO [NH3+][C@]12C[C@H]1CN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])C2 ZINC001165315856 925018326 /nfs/dbraw/zinc/01/83/26/925018326.db2.gz XVJOAZDMBWHLIU-IGJIYHIXSA-N 1 0 290.110 1.229 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H](CO)C2)cc1 ZINC000776272274 926531846 /nfs/dbraw/zinc/53/18/46/926531846.db2.gz SJMHCOUJQDWWAP-SMDDNHRTSA-N 1 0 280.324 1.333 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])c(NC[C@]2(F)CCCC[NH2+]C2)c1 ZINC001155115465 926544573 /nfs/dbraw/zinc/54/45/73/926544573.db2.gz PDVNWLPLJDZKGN-LBPRGKRZSA-N 1 0 284.291 1.122 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843474690 937154597 /nfs/dbraw/zinc/15/45/97/937154597.db2.gz VJBBTHITVJLFEB-ZCFIWIBFSA-N 1 0 289.694 1.393 20 5 CDBDRO COc1nc(N(CCC[NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC001156118489 927314999 /nfs/dbraw/zinc/31/49/99/927314999.db2.gz MKJIQBFUQQNUKO-UHFFFAOYSA-N 1 0 268.317 1.562 20 5 CDBDRO [NH3+][C@@H]1CCN(c2ccc3c(cccc3[N+](=O)[O-])n2)C1 ZINC001156228159 927486135 /nfs/dbraw/zinc/48/61/35/927486135.db2.gz BLKDWBMWLGMERJ-SECBINFHSA-N 1 0 258.281 1.680 20 5 CDBDRO [NH3+]Cc1ccc2c(n1)N([C@H]1CC[C@H](C[N+](=O)[O-])C1)CCC2 ZINC001168979254 927569237 /nfs/dbraw/zinc/56/92/37/927569237.db2.gz XVJONHHWGNNROZ-FZMZJTMJSA-N 1 0 290.367 1.738 20 5 CDBDRO Cc1ccnc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168964492 927587371 /nfs/dbraw/zinc/58/73/71/927587371.db2.gz UCXKRTAINJOOBI-WDEREUQCSA-N 1 0 250.302 1.320 20 5 CDBDRO COC(=O)C12CC([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)(C1)C2 ZINC001168965323 927588775 /nfs/dbraw/zinc/58/87/75/927588775.db2.gz ZSTZRUGQNRGXBF-WPMGSTCASA-N 1 0 268.313 1.117 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C1 ZINC001168969097 927590727 /nfs/dbraw/zinc/59/07/27/927590727.db2.gz CBYVRGHYTJPDJD-FVCCEPFGSA-N 1 0 256.346 1.573 20 5 CDBDRO CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168968104 927591340 /nfs/dbraw/zinc/59/13/40/927591340.db2.gz VUTULSIYXHVLNO-TZMCWYRMSA-N 1 0 297.399 1.668 20 5 CDBDRO COCC1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168993586 927600461 /nfs/dbraw/zinc/60/04/61/927600461.db2.gz NKZORWBUILDLSQ-RYUDHWBXSA-N 1 0 272.345 1.217 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3cnccn3)CC2)C1 ZINC001168997975 927603355 /nfs/dbraw/zinc/60/33/55/927603355.db2.gz GXKMEADAOMFKAY-GHMZBOCLSA-N 1 0 262.313 1.501 20 5 CDBDRO COCC1(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168998052 927603858 /nfs/dbraw/zinc/60/38/58/927603858.db2.gz HSBCZZBSSXWLOP-OLZOCXBDSA-N 1 0 286.372 1.465 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C[C@@H](CO)c2ccccc2)C1 ZINC001169001223 927606551 /nfs/dbraw/zinc/60/65/51/927606551.db2.gz DRVFTEKEHKWACC-QEJZJMRPSA-N 1 0 278.352 1.798 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@]23CCCOC3)C1 ZINC001169001428 927606559 /nfs/dbraw/zinc/60/65/59/927606559.db2.gz FXJXENRQYMVCSP-VOAKCMCISA-N 1 0 254.330 1.591 20 5 CDBDRO CCn1cnc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169006270 927607975 /nfs/dbraw/zinc/60/79/75/927607975.db2.gz XCIFGHMTFUTATP-MNOVXSKESA-N 1 0 252.318 1.438 20 5 CDBDRO COC(=O)[C@@H]1CC[C@@H](C)[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169010247 927613287 /nfs/dbraw/zinc/61/32/87/927613287.db2.gz BSRCZECEYYJWGV-LPWJVIDDSA-N 1 0 284.356 1.705 20 5 CDBDRO C[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@]1(C)O ZINC001169010916 927617606 /nfs/dbraw/zinc/61/76/06/927617606.db2.gz GEAZCCMZVDQICX-FVCCEPFGSA-N 1 0 256.346 1.525 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(c3cccnc3)CC2)C1 ZINC001169011093 927617933 /nfs/dbraw/zinc/61/79/33/927617933.db2.gz IGRFTIADUFBNGU-UONOGXRCSA-N 1 0 290.367 1.649 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(c3cccnn3)CC2)C1 ZINC001169033987 927640494 /nfs/dbraw/zinc/64/04/94/927640494.db2.gz DWLSSBNPWUHVIP-STQMWFEESA-N 1 0 291.355 1.044 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)C1 ZINC001169036053 927643449 /nfs/dbraw/zinc/64/34/49/927643449.db2.gz FFGOVBHBFLDOEO-GLBINXAQSA-N 1 0 266.341 1.541 20 5 CDBDRO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035788 927644169 /nfs/dbraw/zinc/64/41/69/927644169.db2.gz CHTKHZXAXONUSS-LOWDOPEQSA-N 1 0 286.372 1.951 20 5 CDBDRO CC(C)O[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169037035 927646271 /nfs/dbraw/zinc/64/62/71/927646271.db2.gz HYMCIFAOVXRROA-JHJVBQTASA-N 1 0 256.346 1.931 20 5 CDBDRO CN1CC[C@H]2C[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169038617 927651541 /nfs/dbraw/zinc/65/15/41/927651541.db2.gz JJCYJMOHTPZEIR-MROQNXINSA-N 1 0 253.346 1.068 20 5 CDBDRO CCCNC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169026520 927665761 /nfs/dbraw/zinc/66/57/61/927665761.db2.gz LYJSBNKOXXHGII-MCIONIFRSA-N 1 0 297.399 1.813 20 5 CDBDRO Cn1cnc2c1C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169047606 927666277 /nfs/dbraw/zinc/66/62/77/927666277.db2.gz RPBWWCWUXTYCLJ-GHMZBOCLSA-N 1 0 264.329 1.224 20 5 CDBDRO CC(C)N1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1C ZINC001169053555 927673038 /nfs/dbraw/zinc/67/30/38/927673038.db2.gz IOWWBRKZZGARIM-BFHYXJOUSA-N 1 0 269.389 1.846 20 5 CDBDRO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000776582899 927748742 /nfs/dbraw/zinc/74/87/42/927748742.db2.gz WDSGAUGDFHLAFE-RISCZKNCSA-N 1 0 280.324 1.739 20 5 CDBDRO Nc1ccnc(-n2ncc3c2cccc3C[NH3+])c1[N+](=O)[O-] ZINC001169188667 927799308 /nfs/dbraw/zinc/79/93/08/927799308.db2.gz AQHJLLNBKKMPSY-UHFFFAOYSA-N 1 0 284.279 1.370 20 5 CDBDRO C[C@@H]([NH3+])c1ccn(-c2ccc([N+](=O)[O-])c3c2CNC3=O)n1 ZINC001169234825 927851913 /nfs/dbraw/zinc/85/19/13/927851913.db2.gz KRJCUNMCVXVIBQ-SSDOTTSWSA-N 1 0 287.279 1.044 20 5 CDBDRO [NH3+]CCON=c1cc2[nH]cnc(Cl)c-2cc1[N+](=O)[O-] ZINC001156291931 927930307 /nfs/dbraw/zinc/93/03/07/927930307.db2.gz VCFGZILETIUIOQ-UHFFFAOYSA-N 1 0 283.675 1.494 20 5 CDBDRO COC(=O)c1ncc([N+](=O)[O-])cc1-n1ccc(C[NH3+])c1 ZINC001169725801 928348148 /nfs/dbraw/zinc/34/81/48/928348148.db2.gz LXPOQKVIJNLMEF-UHFFFAOYSA-N 1 0 276.252 1.026 20 5 CDBDRO COc1nc(SC)nc(-n2ccc(C[NH3+])c2)c1[N+](=O)[O-] ZINC001169717254 928372911 /nfs/dbraw/zinc/37/29/11/928372911.db2.gz ZKGJQVIBEUDTIQ-UHFFFAOYSA-N 1 0 295.324 1.365 20 5 CDBDRO O=[N+]([O-])c1cccc2c1ccnc2N[C@H]1C[NH2+]C[C@H]1CO ZINC001170773825 929921462 /nfs/dbraw/zinc/92/14/62/929921462.db2.gz QQRBOANHOWIVME-CABZTGNLSA-N 1 0 288.307 1.135 20 5 CDBDRO Cc1nc(N[C@H](C)[C@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC001159489619 930270913 /nfs/dbraw/zinc/27/09/13/930270913.db2.gz PVCYOIAUCGGMER-MWLCHTKSSA-N 1 0 266.301 1.087 20 5 CDBDRO CC1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)COC1 ZINC000134758468 930576671 /nfs/dbraw/zinc/57/66/71/930576671.db2.gz FADLLPNMUWURQN-GFCCVEGCSA-N 1 0 266.297 1.254 20 5 CDBDRO CS[C@H](C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819186687 930769567 /nfs/dbraw/zinc/76/95/67/930769567.db2.gz VKNPAZFDXUVEMZ-BXKDBHETSA-N 1 0 270.354 1.969 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(NC[C@@H]2CCCC[NH2+]2)n1 ZINC001160148383 931217695 /nfs/dbraw/zinc/21/76/95/931217695.db2.gz QYVXXNBWHKMQCA-VIFPVBQESA-N 1 0 281.316 1.256 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](c2nc(-c3c([N+](=O)[O-])ncn3C)no2)C1 ZINC000823089542 931252064 /nfs/dbraw/zinc/25/20/64/931252064.db2.gz VRBBVUJTAMCCTO-HTQZYQBOSA-N 1 0 292.299 1.439 20 5 CDBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(F)F ZINC001154049024 937496707 /nfs/dbraw/zinc/49/67/07/937496707.db2.gz GJWYVOCPJBOAQV-UHFFFAOYSA-N 1 0 287.266 1.456 20 5 CDBDRO Cc1nc(N[C@H]2CCC[C@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC001154990163 937617538 /nfs/dbraw/zinc/61/75/38/937617538.db2.gz XUTFNMIQHBZRFL-IUCAKERBSA-N 1 0 251.290 1.375 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1-n1cncc1C1CC[NH2+]CC1 ZINC001155054280 937628048 /nfs/dbraw/zinc/62/80/48/937628048.db2.gz WGOWKIDHPZEIBI-UHFFFAOYSA-N 1 0 291.286 1.782 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001155187980 937646444 /nfs/dbraw/zinc/64/64/44/937646444.db2.gz YBFIYLBFEXBMPJ-RFZPGFLSSA-N 1 0 292.126 1.854 20 5 CDBDRO O=[N+]([O-])CC[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000930764253 933444838 /nfs/dbraw/zinc/44/48/38/933444838.db2.gz DPWJZRIUNTUAHI-GFCCVEGCSA-N 1 0 254.330 1.544 20 5 CDBDRO CC(C)[NH2+]Cc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000090297243 934828418 /nfs/dbraw/zinc/82/84/18/934828418.db2.gz ANQHQVKGGREVES-UHFFFAOYSA-N 1 0 275.312 1.733 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC001120884364 937844955 /nfs/dbraw/zinc/84/49/55/937844955.db2.gz NNIXZZFEMRPFNE-SNVBAGLBSA-N 1 0 290.327 1.534 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001122167128 937910195 /nfs/dbraw/zinc/91/01/95/937910195.db2.gz QFWVZONZKHSNEM-BIMULSAOSA-N 1 0 277.324 1.899 20 5 CDBDRO C[C@@H]1CN(c2ccc3cccc([N+](=O)[O-])c3n2)CC[NH2+]1 ZINC001156689189 938406173 /nfs/dbraw/zinc/40/61/73/938406173.db2.gz OQXRRUXQGRQEEL-SNVBAGLBSA-N 1 0 272.308 1.941 20 5 CDBDRO COc1cnc(-n2nc(C[NH3+])c3ccccc32)c([N+](=O)[O-])c1 ZINC001156855738 938426117 /nfs/dbraw/zinc/42/61/17/938426117.db2.gz OVFFKYNMSUVMOW-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO CCC[N@H+]1C[C@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)C[C@H]2C1 ZINC001157692071 938533100 /nfs/dbraw/zinc/53/31/00/938533100.db2.gz NKCVJSCQPNXUHF-PHIMTYICSA-N 1 0 291.355 1.350 20 5 CDBDRO O=C(NCCC[NH2+]CC1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775285 938544062 /nfs/dbraw/zinc/54/40/62/938544062.db2.gz NNYGWHAZLZKBHB-CHWSQXEVSA-N 1 0 283.372 1.328 20 5 CDBDRO [NH3+][C@H]1CCc2nn(-c3ccc4[nH]cc([N+](=O)[O-])c4n3)cc2C1 ZINC001157989977 938572825 /nfs/dbraw/zinc/57/28/25/938572825.db2.gz RFNRSMWEMJORQV-VIFPVBQESA-N 1 0 298.306 1.473 20 5 CDBDRO Cc1nc(Cl)nc(N(C(C)C)[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC001158023086 938575775 /nfs/dbraw/zinc/57/57/75/938575775.db2.gz RSBMTDPOQKIMBK-VIFPVBQESA-N 1 0 299.762 1.923 20 5 CDBDRO O=[N+]([O-])c1ccnc(N2CCO[C@H](C[NH+]3CCCC3)C2)c1 ZINC001158306808 938606779 /nfs/dbraw/zinc/60/67/79/938606779.db2.gz ZLCLZBQPGNMYJM-CYBMUJFWSA-N 1 0 292.339 1.291 20 5 CDBDRO COc1nc(-n2ncc3c2cccc3C[NH3+])ccc1[N+](=O)[O-] ZINC001158307824 938607368 /nfs/dbraw/zinc/60/73/68/938607368.db2.gz KNAIDEVTJOVUGI-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO C[C@@H]([NH3+])c1ccn(-c2cnc3ccc([N+](=O)[O-])cc3n2)n1 ZINC001158349262 938612278 /nfs/dbraw/zinc/61/22/78/938612278.db2.gz REQSFDNWDHLJIW-MRVPVSSYSA-N 1 0 284.279 1.743 20 5 CDBDRO COc1cnc(N2CCC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001158676034 938649272 /nfs/dbraw/zinc/64/92/72/938649272.db2.gz WVXDLGSEILSNOK-CYBMUJFWSA-N 1 0 280.328 1.564 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(NCC2C[NH+](C)C2)nc1Cl ZINC001159218490 938712289 /nfs/dbraw/zinc/71/22/89/938712289.db2.gz QCLZSIYTYVWQSK-UHFFFAOYSA-N 1 0 270.720 1.925 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(Nc2ccc(C[NH3+])nc2)n1 ZINC001160401990 938784531 /nfs/dbraw/zinc/78/45/31/938784531.db2.gz HLRDLYBWKVOHJA-UHFFFAOYSA-N 1 0 290.283 1.299 20 5 CDBDRO [NH3+]Cc1cc2ccncc2n1-c1ncc([N+](=O)[O-])cc1F ZINC001160959667 938850529 /nfs/dbraw/zinc/85/05/29/938850529.db2.gz SAABHPLDQBMNCU-UHFFFAOYSA-N 1 0 287.254 1.927 20 5 CDBDRO CN1CCc2c(-n3cnc(C[NH3+])c3)ccc([N+](=O)[O-])c2C1 ZINC001162304234 938976687 /nfs/dbraw/zinc/97/66/87/938976687.db2.gz CFCNCHMRQMRXPG-UHFFFAOYSA-N 1 0 287.323 1.227 20 5 CDBDRO Nc1ccnc(N2C[C@@H]([NH3+])Cc3ccccc32)c1[N+](=O)[O-] ZINC001162847220 939151547 /nfs/dbraw/zinc/15/15/47/939151547.db2.gz KLTAYRMLSWBLBZ-JTQLQIEISA-N 1 0 285.307 1.594 20 5 CDBDRO Cc1c(N[C@@H]2COC[C@@H]2[NH3+])cc(F)cc1[N+](=O)[O-] ZINC001162921329 939161392 /nfs/dbraw/zinc/16/13/92/939161392.db2.gz VYVYEWCTVWHAGZ-WCBMZHEXSA-N 1 0 255.249 1.180 20 5 CDBDRO [NH3+][C@H]1COC[C@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC001162921291 939161615 /nfs/dbraw/zinc/16/16/15/939161615.db2.gz UIPNNVJFAUHDNF-CMPLNLGQSA-N 1 0 274.280 1.281 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(NC2CC3(C2)CCC[NH2+]C3)n1 ZINC001162981415 939168683 /nfs/dbraw/zinc/16/86/83/939168683.db2.gz FBVHLACGKJGMBN-UHFFFAOYSA-N 1 0 277.328 1.637 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nc1 ZINC001163268073 939236612 /nfs/dbraw/zinc/23/66/12/939236612.db2.gz ACILBWKXCFFSAH-RISCZKNCSA-N 1 0 292.339 1.560 20 5 CDBDRO CN(CC[NH+](C)C)c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001163589630 939290428 /nfs/dbraw/zinc/29/04/28/939290428.db2.gz GGYQKQCKOFBUCL-UHFFFAOYSA-N 1 0 294.142 1.689 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N(C)CCC[NH+](C)C ZINC001163595658 939292003 /nfs/dbraw/zinc/29/20/03/939292003.db2.gz RRWIYFSJVSZTBX-UHFFFAOYSA-N 1 0 296.327 1.164 20 5 CDBDRO C[NH2+]CCN(C)c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001163722602 939315363 /nfs/dbraw/zinc/31/53/63/939315363.db2.gz SGBWVHSNCRYBNO-UHFFFAOYSA-N 1 0 295.730 1.847 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1cnc(Cl)cc1[N+](=O)[O-] ZINC001163980530 939369580 /nfs/dbraw/zinc/36/95/80/939369580.db2.gz XYUMSUKLCNOQMZ-UHFFFAOYSA-N 1 0 267.676 1.596 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1N(CCC[NH3+])C(C)C ZINC001164121079 939412891 /nfs/dbraw/zinc/41/28/91/939412891.db2.gz FPOSIYMZNKQJBN-UHFFFAOYSA-N 1 0 267.333 1.595 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1NCC1(CO)CCC1)C[NH2+]C2 ZINC001164361470 939463609 /nfs/dbraw/zinc/46/36/09/939463609.db2.gz AUYYRAJILQOCOO-UHFFFAOYSA-N 1 0 277.324 1.773 20 5 CDBDRO C[C@@H]1CC[C@H](C[NH3+])CN1c1ncc([N+](=O)[O-])cc1F ZINC001164463221 939475857 /nfs/dbraw/zinc/47/58/57/939475857.db2.gz YDCBCSJTZCLRKN-RKDXNWHRSA-N 1 0 268.292 1.693 20 5 CDBDRO CC(C)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164494362 939479070 /nfs/dbraw/zinc/47/90/70/939479070.db2.gz GYQFXJJOVHABKA-VXGBXAGGSA-N 1 0 283.372 1.184 20 5 CDBDRO CC[NH+]1CCC(N(C)c2cc([N+](=O)[O-])ccn2)CC1 ZINC001165067927 939506083 /nfs/dbraw/zinc/50/60/83/939506083.db2.gz HYCSIOMABOAYOK-UHFFFAOYSA-N 1 0 264.329 1.910 20 5 CDBDRO C[NH+](C)C[C@H]1CCCN1c1cc([N+](=O)[O-])ccn1 ZINC001165071575 939506771 /nfs/dbraw/zinc/50/67/71/939506771.db2.gz IRJVZVYTYHLWCY-LLVKDONJSA-N 1 0 250.302 1.520 20 5 CDBDRO COc1nc(N2CCC[C@@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC001165074154 939507388 /nfs/dbraw/zinc/50/73/88/939507388.db2.gz YJJQXEHOBQKCHH-SNVBAGLBSA-N 1 0 280.328 1.529 20 5 CDBDRO COc1cc(C)nc(N2C[C@H]3C[NH+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001165152556 939520097 /nfs/dbraw/zinc/52/00/97/939520097.db2.gz YPQYXZHEOHCKPC-GHMZBOCLSA-N 1 0 292.339 1.305 20 5 CDBDRO CC(C)[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(N)n2)C[C@H]1C ZINC001165199832 939523527 /nfs/dbraw/zinc/52/35/27/939523527.db2.gz OOVCFRSJCKKPIK-SNVBAGLBSA-N 1 0 279.344 1.491 20 5 CDBDRO CC(C)Oc1nc(N2C[C@@H]3C[C@]3([NH3+])C2)ccc1[N+](=O)[O-] ZINC001165317295 939545047 /nfs/dbraw/zinc/54/50/47/939545047.db2.gz ZCPJJQQKISQKSV-ZANVPECISA-N 1 0 278.312 1.314 20 5 CDBDRO Cc1ncc2n1CCN(c1ncc([N+](=O)[O-])cc1C)C2 ZINC001165384938 939554164 /nfs/dbraw/zinc/55/41/64/939554164.db2.gz LQOUBDWTPRRATK-UHFFFAOYSA-N 1 0 273.296 1.823 20 5 CDBDRO CC(C)([NH3+])CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000405971602 941001498 /nfs/dbraw/zinc/00/14/98/941001498.db2.gz KADICJRDNOWAOM-YVMONPNESA-N 1 0 277.324 1.852 20 5 CDBDRO O=C(CO[C@H]1CC[NH2+]C1)OCc1ccc([N+](=O)[O-])cc1 ZINC001217825163 941021696 /nfs/dbraw/zinc/02/16/96/941021696.db2.gz NZJPDGJNWSEHFX-LBPRGKRZSA-N 1 0 280.280 1.017 20 5 CDBDRO COC(=O)c1cc(O[C@H]2CC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC001218182693 941042775 /nfs/dbraw/zinc/04/27/75/941042775.db2.gz ZLDSBIDEZAJHIU-ZETCQYMHSA-N 1 0 284.243 1.261 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(O[C@H]3CC[NH2+]C3)c21 ZINC001218183531 941043031 /nfs/dbraw/zinc/04/30/31/941043031.db2.gz VGTDWBWEVHOGCV-QMMMGPOBSA-N 1 0 260.253 1.279 20 5 CDBDRO COC(=O)c1cc(O[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC001218284397 941051786 /nfs/dbraw/zinc/05/17/86/941051786.db2.gz RBAZQLCJVZNIEJ-LLVKDONJSA-N 1 0 280.280 1.512 20 5 CDBDRO Cc1c(COC[C@@H]2CN(C)CCO2)cccc1[N+](=O)[O-] ZINC001223329838 941670683 /nfs/dbraw/zinc/67/06/83/941670683.db2.gz AJNNFTMEXZSDEW-ZDUSSCGKSA-N 1 0 280.324 1.750 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccccc1F ZINC001225201330 941830106 /nfs/dbraw/zinc/83/01/06/941830106.db2.gz LIHLFZHSKXZAGJ-SNVBAGLBSA-N 1 0 256.297 1.188 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2c1CCC2=O ZINC001225618283 941889086 /nfs/dbraw/zinc/88/90/86/941889086.db2.gz LCCOZNXMEMOHCV-LLVKDONJSA-N 1 0 292.355 1.178 20 5 CDBDRO Cc1cc(O[C@H]2C[NH+]3CCC2CC3)ncc1[N+](=O)[O-] ZINC001225664058 941895916 /nfs/dbraw/zinc/89/59/16/941895916.db2.gz XISSBUBSJAHEHK-LBPRGKRZSA-N 1 0 263.297 1.771 20 5 CDBDRO C[N@@H+]1CCC[C@@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])CC1 ZINC001225667042 941897653 /nfs/dbraw/zinc/89/76/53/941897653.db2.gz ORMNVKXRTHKURM-SECBINFHSA-N 1 0 267.285 1.559 20 5 CDBDRO CCOC(=O)c1cnc(C)nc1O[C@@H](C)C[N+](C)(C)C ZINC001225930211 941930540 /nfs/dbraw/zinc/93/05/40/941930540.db2.gz CONPHKYRHMPLIA-JTQLQIEISA-N 1 0 282.364 1.435 20 5 CDBDRO CCc1c[nH]c(=S)nc1O[C@H](C)C[N+](C)(C)C ZINC001227062084 942123843 /nfs/dbraw/zinc/12/38/43/942123843.db2.gz RSZWLESMJVZJPC-SECBINFHSA-O 1 0 256.395 1.801 20 5 CDBDRO Cc1ccc(O[C@@H]2CCc3nccn3C2)c([N+](=O)[O-])n1 ZINC001227224928 942153639 /nfs/dbraw/zinc/15/36/39/942153639.db2.gz WLSLLGDBAGAMRO-SNVBAGLBSA-N 1 0 274.280 1.889 20 5 CDBDRO COCc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001227668337 942199991 /nfs/dbraw/zinc/19/99/91/942199991.db2.gz VYNYBJMXHVWRJX-CYBMUJFWSA-N 1 0 282.360 1.196 20 5 CDBDRO COC(=O)c1cccc(OC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001227895157 942241143 /nfs/dbraw/zinc/24/11/43/942241143.db2.gz UCEOWQHBYXYYLH-UHFFFAOYSA-N 1 0 294.307 1.854 20 5 CDBDRO C[C@@H](C[NH+](C)C)Oc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001229399175 942465097 /nfs/dbraw/zinc/46/50/97/942465097.db2.gz GXQFQHTXVFLPOU-VIFPVBQESA-N 1 0 276.296 1.867 20 5 CDBDRO Cc1cc2ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc2[nH]1 ZINC001229826581 942538774 /nfs/dbraw/zinc/53/87/74/942538774.db2.gz PPXRWISSVNOSKT-CYBMUJFWSA-N 1 0 291.371 1.839 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2cc3n[nH]cc3cc2[N+](=O)[O-])C1 ZINC001230595064 942652015 /nfs/dbraw/zinc/65/20/15/942652015.db2.gz ITHKWFQOJLFSQG-SNVBAGLBSA-N 1 0 276.296 1.944 20 5 CDBDRO C[N@@H+]1CCC[C@@H](Oc2cccc([N+](=O)[O-])c2[N+](=O)[O-])C1 ZINC001233573766 943620255 /nfs/dbraw/zinc/62/02/55/943620255.db2.gz CALJBQIBMDWNDQ-SECBINFHSA-N 1 0 281.268 1.976 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](O)C1 ZINC001254536264 947516038 /nfs/dbraw/zinc/51/60/38/947516038.db2.gz BEBMMEGMIIFTTF-YUSALJHKSA-N 1 0 250.298 1.639 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CNC(=O)O1 ZINC001254550494 947520662 /nfs/dbraw/zinc/52/06/62/947520662.db2.gz KTESMWWOHUTPIA-MWLCHTKSSA-N 1 0 279.296 1.224 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001254552257 947520840 /nfs/dbraw/zinc/52/08/40/947520840.db2.gz JNDDNKONRFOAED-OSAQELSMSA-N 1 0 294.351 1.201 20 5 CDBDRO CC[N@H+](CCC(N)=O)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254561301 947523897 /nfs/dbraw/zinc/52/38/97/947523897.db2.gz GFADASFTXZFHRQ-LLVKDONJSA-N 1 0 279.340 1.723 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](O)[C@@H](F)C1 ZINC001254553806 947524695 /nfs/dbraw/zinc/52/46/95/947524695.db2.gz ZNXCCRDDBDUNNF-VHRBIJSZSA-N 1 0 282.315 1.931 20 5 CDBDRO CSCC[C@@H](CO)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573387 947532860 /nfs/dbraw/zinc/53/28/60/947532860.db2.gz YWAMXGQHGZKMFC-QWHCGFSZSA-N 1 0 296.392 1.766 20 5 CDBDRO COC(=O)CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254574147 947533496 /nfs/dbraw/zinc/53/34/96/947533496.db2.gz GMAJULWBOAABCX-LLVKDONJSA-N 1 0 264.281 1.215 20 5 CDBDRO COCCOCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254576340 947534759 /nfs/dbraw/zinc/53/47/59/947534759.db2.gz VORZGKFKAQPUAH-ZDUSSCGKSA-N 1 0 280.324 1.315 20 5 CDBDRO CC(C)(C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254580228 947536293 /nfs/dbraw/zinc/53/62/93/947536293.db2.gz BKGYCURYGYKEDS-LLVKDONJSA-N 1 0 277.324 1.163 20 5 CDBDRO NC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599935 947548563 /nfs/dbraw/zinc/54/85/63/947548563.db2.gz MZODYEBBAHMOLM-KGLIPLIRSA-N 1 0 289.335 1.402 20 5 CDBDRO COc1ccc(C[C@@H](C)N[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246359733 948131175 /nfs/dbraw/zinc/13/11/75/948131175.db2.gz VVQFIRUSHNOWQL-DGCLKSJQSA-N 1 0 293.367 1.876 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001246485596 948202507 /nfs/dbraw/zinc/20/25/07/948202507.db2.gz BPJBWLQAQLQDCA-ZLKJLUDKSA-N 1 0 281.331 1.815 20 5 CDBDRO COc1ccc(C[C@@H](C)N2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001246522689 948224714 /nfs/dbraw/zinc/22/47/14/948224714.db2.gz FYGCJLJLHYKPQO-GFCCVEGCSA-N 1 0 293.367 1.830 20 5 CDBDRO CC(C)[C@H]([NH3+])Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247625374 948686044 /nfs/dbraw/zinc/68/60/44/948686044.db2.gz OCZHPWWGVHHWFX-MRVPVSSYSA-N 1 0 295.274 1.705 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]([NH3+])C1CC1 ZINC001326049412 954195919 /nfs/dbraw/zinc/19/59/19/954195919.db2.gz OFLFZAUCFZDUPR-NSHDSACASA-N 1 0 278.312 1.104 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC([NH3+])CC1 ZINC001326077607 954210169 /nfs/dbraw/zinc/21/01/69/954210169.db2.gz NAYIOIRQKPRCEV-UHFFFAOYSA-N 1 0 292.339 1.636 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC001307780090 956440396 /nfs/dbraw/zinc/44/03/96/956440396.db2.gz DNWFKRJTLQZSGM-CMPLNLGQSA-N 1 0 268.317 1.148 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1([C@@H]2CCCO2)CCC1 ZINC001308160052 956480104 /nfs/dbraw/zinc/48/01/04/956480104.db2.gz IUPKYAGDIPXBBA-LBPRGKRZSA-N 1 0 294.355 1.791 20 5 CDBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC001308743095 956570545 /nfs/dbraw/zinc/57/05/45/956570545.db2.gz ZHFJSVGRFTYRJY-MWLCHTKSSA-N 1 0 296.323 1.560 20 5 CDBDRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])C12CCC2 ZINC001336837857 960647354 /nfs/dbraw/zinc/64/73/54/960647354.db2.gz BODLZTLDAZWJNU-GHMZBOCLSA-N 1 0 299.371 1.689 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001338296173 961734413 /nfs/dbraw/zinc/73/44/13/961734413.db2.gz YGRUDFPLRAVWPJ-ZDUSSCGKSA-N 1 0 277.324 1.809 20 5 CDBDRO C[C@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC001339611631 962453035 /nfs/dbraw/zinc/45/30/35/962453035.db2.gz ZTBLBAJKSDZFRV-DTWKUNHWSA-N 1 0 277.328 1.609 20 5 CDBDRO C[C@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC001340282126 962863854 /nfs/dbraw/zinc/86/38/54/962863854.db2.gz OEKQEMDBERPGGO-GDLCADMTSA-N 1 0 289.335 1.519 20 5 CDBDRO C[C@@H](NC(=O)[C@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001340990967 963224108 /nfs/dbraw/zinc/22/41/08/963224108.db2.gz MSPONVYYZXPIOM-ZWNOBZJWSA-N 1 0 277.324 1.914 20 5 CDBDRO O=C(NC[C@H]1CCCCC[NH2+]1)c1cc(F)ccc1[N+](=O)[O-] ZINC001342207170 963673380 /nfs/dbraw/zinc/67/33/80/963673380.db2.gz XEBTWVPTYHDSTQ-LLVKDONJSA-N 1 0 295.314 1.996 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)C23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC001343338231 963955549 /nfs/dbraw/zinc/95/55/49/963955549.db2.gz ZDIVXWKCVQJBTL-NLTNOIMHSA-N 1 0 289.335 1.832 20 5 CDBDRO Cc1c(C(=O)OCC(C)(C)[N+](=O)[O-])ccc2c[nH+]cn21 ZINC001343850411 964158919 /nfs/dbraw/zinc/15/89/19/964158919.db2.gz SCZWWOHDWPUJSQ-UHFFFAOYSA-N 1 0 277.280 1.855 20 5 CDBDRO [NH3+]CC[C@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001344998533 964526118 /nfs/dbraw/zinc/52/61/18/964526118.db2.gz KHHWDEVRHLRWSN-NSHDSACASA-N 1 0 293.323 1.171 20 5 CDBDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001346237303 965004297 /nfs/dbraw/zinc/00/42/97/965004297.db2.gz OZKGJKKZZIJUGZ-BYCMXARLSA-N 1 0 294.351 1.769 20 5 CDBDRO CC(C)[N@H+](C)CCCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001353272440 967843451 /nfs/dbraw/zinc/84/34/51/967843451.db2.gz IKQDIKAMGRUMOE-HNNXBMFYSA-N 1 0 295.383 1.948 20 5 CDBDRO C[C@H](CNC(=O)[C@H]1CCCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001355316493 969121866 /nfs/dbraw/zinc/12/18/66/969121866.db2.gz NYUSEXZCKJFYBF-DGCLKSJQSA-N 1 0 291.351 1.957 20 5 CDBDRO CCOCCCNC(=[NH2+])NCCc1ccccc1[N+](=O)[O-] ZINC000849009979 969402446 /nfs/dbraw/zinc/40/24/46/969402446.db2.gz PWKRWYASHZWIII-UHFFFAOYSA-N 1 0 294.355 1.678 20 5 CDBDRO [NH3+]CCCCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001521513043 970306831 /nfs/dbraw/zinc/30/68/31/970306831.db2.gz OREDNBNEIBKYSE-CHWSQXEVSA-N 1 0 277.324 1.553 20 5 CDBDRO C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001521512472 970308048 /nfs/dbraw/zinc/30/80/48/970308048.db2.gz JZTUAQZPAITEQG-QWHCGFSZSA-N 1 0 277.324 1.376 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC=CCC2)c1 ZINC000611517636 346809203 /nfs/dbraw/zinc/80/92/03/346809203.db2.gz ZUABYRBKLLZZLZ-ZDUSSCGKSA-N 1 0 278.308 1.596 20 5 CDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000590403669 342544027 /nfs/dbraw/zinc/54/40/27/342544027.db2.gz LXVVOAYWSJQPBC-WPRPVWTQSA-N 1 0 283.353 1.821 20 5 CDBDRO O=[N+]([O-])c1cccc2c1ccnc2N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000590686254 342582829 /nfs/dbraw/zinc/58/28/29/342582829.db2.gz WXOKNQKPCGIQQD-GHMZBOCLSA-N 1 0 284.319 1.799 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)[C@H]1CCOC1 ZINC000565218824 365605581 /nfs/dbraw/zinc/60/55/81/365605581.db2.gz RULJTNMFJKXJRP-XEGUGMAKSA-N 1 0 292.335 1.569 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000124983094 187164523 /nfs/dbraw/zinc/16/45/23/187164523.db2.gz BSLBVVVHMBTGMU-SNVBAGLBSA-N 1 0 295.364 1.507 20 5 CDBDRO Cc1nc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)ncc1[N+](=O)[O-] ZINC000591442453 342632401 /nfs/dbraw/zinc/63/24/01/342632401.db2.gz OHFREGQJOSBNBU-PHIMTYICSA-N 1 0 277.328 1.129 20 5 CDBDRO COc1cccc(C(=O)NCC[NH2+]C2CC2)c1[N+](=O)[O-] ZINC000591679131 342641703 /nfs/dbraw/zinc/64/17/03/342641703.db2.gz AEKHVVFROOSXQS-UHFFFAOYSA-N 1 0 279.296 1.085 20 5 CDBDRO COc1cccc(C(=O)N2CC[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000592294639 342684014 /nfs/dbraw/zinc/68/40/14/342684014.db2.gz VZPNSOYGAXWGFO-VIFPVBQESA-N 1 0 279.296 1.024 20 5 CDBDRO C[C@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC(=O)N1 ZINC000453589163 252328059 /nfs/dbraw/zinc/32/80/59/252328059.db2.gz MORUIKMVKXWNEG-CYBMUJFWSA-N 1 0 263.297 1.353 20 5 CDBDRO CC[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592544671 342708751 /nfs/dbraw/zinc/70/87/51/342708751.db2.gz GDMLQLFBUDNYGT-VHSXEESVSA-N 1 0 292.339 1.376 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CN(C)Cc2ccccc21 ZINC000533819052 282152313 /nfs/dbraw/zinc/15/23/13/282152313.db2.gz JYHDANNJEFKNFR-GFCCVEGCSA-N 1 0 287.323 1.927 20 5 CDBDRO CCc1ccc(C(=O)N(C)CC[NH2+]C)cc1[N+](=O)[O-] ZINC000120669963 539051942 /nfs/dbraw/zinc/05/19/42/539051942.db2.gz MDBWRZFAZHOZEV-UHFFFAOYSA-N 1 0 265.313 1.449 20 5 CDBDRO CC[NH2+]CCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000209213676 342226264 /nfs/dbraw/zinc/22/62/64/342226264.db2.gz ZWQBMADVTDXZQC-TWGQIWQCSA-N 1 0 277.324 1.724 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2COCCN2)cc1[N+](=O)[O-] ZINC000600710401 342243520 /nfs/dbraw/zinc/24/35/20/342243520.db2.gz OGGMFLOMGZPEMV-WCQYABFASA-N 1 0 279.340 1.542 20 5 CDBDRO CCN(CC[NH3+])Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000600715143 342246450 /nfs/dbraw/zinc/24/64/50/342246450.db2.gz FMGFEVXJPBLNMA-UHFFFAOYSA-N 1 0 291.311 1.425 20 5 CDBDRO CNc1ccc(C(=O)NCC2([NH2+]C)CCC2)cc1[N+](=O)[O-] ZINC000600824710 342251643 /nfs/dbraw/zinc/25/16/43/342251643.db2.gz NOEDUOYSHPQMMC-UHFFFAOYSA-N 1 0 292.339 1.508 20 5 CDBDRO CCn1ccc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000616785404 342268711 /nfs/dbraw/zinc/26/87/11/342268711.db2.gz RBQPHCXOUNXIBU-UHFFFAOYSA-N 1 0 277.328 1.745 20 5 CDBDRO C[C@](O)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000311494724 342275520 /nfs/dbraw/zinc/27/55/20/342275520.db2.gz CWZWGFYHYVSXRR-AWEZNQCLSA-N 1 0 264.325 1.888 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000594714956 342946797 /nfs/dbraw/zinc/94/67/97/342946797.db2.gz VAASIEGSDHPPNG-UHTWSYAYSA-N 1 0 280.328 1.027 20 5 CDBDRO C[C@H](O)C[C@H](C)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611931593 346910307 /nfs/dbraw/zinc/91/03/07/346910307.db2.gz BGWZDBQYMXGZJT-UWVGGRQHSA-N 1 0 296.323 1.615 20 5 CDBDRO Cc1cc(N(C)CC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000074747710 342303769 /nfs/dbraw/zinc/30/37/69/342303769.db2.gz XAVLVUAXTFOWMQ-UHFFFAOYSA-N 1 0 264.329 1.830 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595233248 343016514 /nfs/dbraw/zinc/01/65/14/343016514.db2.gz JLXATBLKVZVVDZ-QMMMGPOBSA-N 1 0 252.274 1.324 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[N@@H+](CCOCCO)C1CCC1 ZINC000595599555 343115041 /nfs/dbraw/zinc/11/50/41/343115041.db2.gz YHDWGTJMPNLSBI-UHFFFAOYSA-N 1 0 294.351 1.958 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000330581133 365723146 /nfs/dbraw/zinc/72/31/46/365723146.db2.gz QMXSGWLQFOPAIF-RYUDHWBXSA-N 1 0 281.360 1.206 20 5 CDBDRO C[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1CCO ZINC000595706020 343127427 /nfs/dbraw/zinc/12/74/27/343127427.db2.gz WPCLWWNECZCVKN-VXGBXAGGSA-N 1 0 282.344 1.274 20 5 CDBDRO CCC[NH+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596052942 343221498 /nfs/dbraw/zinc/22/14/98/343221498.db2.gz CBKOSNRETXOGEH-UHFFFAOYSA-N 1 0 266.301 1.227 20 5 CDBDRO C[NH+](C)C[C@H](CO)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000596242346 343284944 /nfs/dbraw/zinc/28/49/44/343284944.db2.gz FAFXERGWRSAPMY-SNVBAGLBSA-N 1 0 290.323 1.477 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC[C@@H]21 ZINC000596170206 343258584 /nfs/dbraw/zinc/25/85/84/343258584.db2.gz XYTXTHKKQFDEOK-QWRGUYRKSA-N 1 0 292.339 1.616 20 5 CDBDRO Cc1nn(C)c(NCC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000596434602 343320690 /nfs/dbraw/zinc/32/06/90/343320690.db2.gz XOZWUFHEQPUMFE-QMMMGPOBSA-N 1 0 255.322 1.389 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NCC1CC[NH+](CC2CC2)CC1 ZINC000596562687 343343329 /nfs/dbraw/zinc/34/33/29/343343329.db2.gz NWAXCVLJEBIBNC-UHFFFAOYSA-N 1 0 293.371 1.862 20 5 CDBDRO Cc1c(CC(=O)NCC(C)(C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000159535643 362245514 /nfs/dbraw/zinc/24/55/14/362245514.db2.gz VZFTUAZVTMPZBA-UHFFFAOYSA-N 1 0 293.367 1.902 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@H]([NH3+])C[C@@H]2C)c1 ZINC001578874398 1172032044 /nfs/dbraw/zinc/03/20/44/1172032044.db2.gz OSGIEMYPMHNBEW-JOYOIKCWSA-N 1 0 293.323 1.303 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000597859542 343648474 /nfs/dbraw/zinc/64/84/74/343648474.db2.gz FGKKIULRTHSUMV-VIFPVBQESA-N 1 0 295.343 1.168 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000598342584 343770933 /nfs/dbraw/zinc/77/09/33/343770933.db2.gz LKIJVWFVWIBRQI-LLVKDONJSA-N 1 0 277.324 1.809 20 5 CDBDRO O=C1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C[C@@H]2CCCCN12 ZINC000453624760 252329732 /nfs/dbraw/zinc/32/97/32/252329732.db2.gz JUFMRSGZKZJMOC-UONOGXRCSA-N 1 0 289.335 1.838 20 5 CDBDRO [NH3+][C@@]12CCC[C@@H]1CN(CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000598682042 343864476 /nfs/dbraw/zinc/86/44/76/343864476.db2.gz KXTCYEBMRPEAFI-IUODEOHRSA-N 1 0 291.351 1.787 20 5 CDBDRO Cc1cc(NC[C@@H]2CCCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC000599138661 343959540 /nfs/dbraw/zinc/95/95/40/343959540.db2.gz ITZOYDOIYGVLTG-LBPRGKRZSA-N 1 0 278.356 1.864 20 5 CDBDRO C[N@@H+]1CCCC[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000599140579 343959970 /nfs/dbraw/zinc/95/99/70/343959970.db2.gz WBZSUBUIKDDPET-LLVKDONJSA-N 1 0 264.329 1.556 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2CO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000402056328 344158357 /nfs/dbraw/zinc/15/83/57/344158357.db2.gz RLLKDIODHXRWPV-KOLCDFICSA-N 1 0 266.297 1.870 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000602595371 344502396 /nfs/dbraw/zinc/50/23/96/344502396.db2.gz IBHUKRAZOHSKMT-JQWIXIFHSA-N 1 0 277.324 1.476 20 5 CDBDRO CSCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602499868 344442368 /nfs/dbraw/zinc/44/23/68/344442368.db2.gz UPGAYZNKNAJMSE-UHFFFAOYSA-N 1 0 296.396 1.911 20 5 CDBDRO CC[C@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602503719 344456916 /nfs/dbraw/zinc/45/69/16/344456916.db2.gz PVCFLIKHMPIIEX-LLVKDONJSA-N 1 0 294.355 1.319 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602508502 344458442 /nfs/dbraw/zinc/45/84/42/344458442.db2.gz CJQNWCCQYPDZCU-UHFFFAOYSA-N 1 0 269.276 1.415 20 5 CDBDRO Cn1cc(C[NH2+][C@@H](CCO)C(C)(C)C)c([N+](=O)[O-])n1 ZINC000602804505 344592853 /nfs/dbraw/zinc/59/28/53/344592853.db2.gz IQGBPUDMGGZSBU-JTQLQIEISA-N 1 0 270.333 1.215 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000101633909 362413083 /nfs/dbraw/zinc/41/30/83/362413083.db2.gz FIKQITATNMXCIY-UHFFFAOYSA-N 1 0 295.339 1.675 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000602811949 344603710 /nfs/dbraw/zinc/60/37/10/344603710.db2.gz QBAADPBRKTUTTR-ZYHUDNBSSA-N 1 0 282.344 1.504 20 5 CDBDRO CC[C@](C)([NH3+])c1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000603224607 344738236 /nfs/dbraw/zinc/73/82/36/344738236.db2.gz SFANLWPOMXGWKO-ZDUSSCGKSA-N 1 0 293.302 1.958 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])n1cc(CC[NH+](C)C)nn1 ZINC000603213584 344744818 /nfs/dbraw/zinc/74/48/18/344744818.db2.gz DCRRMINTTAZANG-NSHDSACASA-N 1 0 289.339 1.900 20 5 CDBDRO COCC[C@H](CO)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000603436468 344808825 /nfs/dbraw/zinc/80/88/25/344808825.db2.gz YVFLGNPPJZENJB-CEFACKQISA-N 1 0 294.351 1.985 20 5 CDBDRO CC[NH+]1CCN(CCNc2cccnc2[N+](=O)[O-])CC1 ZINC000603850041 344840300 /nfs/dbraw/zinc/84/03/00/344840300.db2.gz YMWSVGDUVGCCSC-UHFFFAOYSA-N 1 0 279.344 1.039 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CCCCC1 ZINC000127331573 187298041 /nfs/dbraw/zinc/29/80/41/187298041.db2.gz DKYQLZZAJOBVLD-LLVKDONJSA-N 1 0 280.328 1.560 20 5 CDBDRO CCN(C)CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293228431 362541427 /nfs/dbraw/zinc/54/14/27/362541427.db2.gz AQGXWWRTVFRDKB-SNVBAGLBSA-N 1 0 266.345 1.779 20 5 CDBDRO Cc1nn(C)c(N[C@@H]2CC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000609631208 345983845 /nfs/dbraw/zinc/98/38/45/345983845.db2.gz OSKMRBVKTAAAPV-LLVKDONJSA-N 1 0 279.344 1.533 20 5 CDBDRO Cc1c(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000127564874 187315745 /nfs/dbraw/zinc/31/57/45/187315745.db2.gz CCSNFVINYSFEGF-NEPJUHHUSA-N 1 0 289.335 1.870 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCCOC3)CC2)cn1 ZINC000610569514 346314994 /nfs/dbraw/zinc/31/49/94/346314994.db2.gz GEIDPHXXTTZCHF-ZDUSSCGKSA-N 1 0 292.339 1.291 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000382994821 362711040 /nfs/dbraw/zinc/71/10/40/362711040.db2.gz IMYDWYFIAMIOBS-QMMMGPOBSA-N 1 0 252.274 1.406 20 5 CDBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000225234533 346493723 /nfs/dbraw/zinc/49/37/23/346493723.db2.gz PKPCKNLXMXTUSF-NTZNESFSSA-N 1 0 282.344 1.321 20 5 CDBDRO CC[N@@H+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)C[C@H]1C ZINC000611084780 346604146 /nfs/dbraw/zinc/60/41/46/346604146.db2.gz SPVADFRGZKQDSG-LLVKDONJSA-N 1 0 264.329 1.829 20 5 CDBDRO COCC[NH2+]CC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001579045572 1172087107 /nfs/dbraw/zinc/08/71/07/1172087107.db2.gz VEJSNTMWXJYKOU-SNVBAGLBSA-N 1 0 281.312 1.008 20 5 CDBDRO C[N@H+](CCNC(=O)COc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000066924467 347546878 /nfs/dbraw/zinc/54/68/78/347546878.db2.gz WIDZCOFURHBZIT-UHFFFAOYSA-N 1 0 293.323 1.184 20 5 CDBDRO Cc1cccc(C(=O)N(C)CCC[NH3+])c1[N+](=O)[O-] ZINC000122213264 347615975 /nfs/dbraw/zinc/61/59/75/347615975.db2.gz YWGUJUVQMBMVON-UHFFFAOYSA-N 1 0 251.286 1.324 20 5 CDBDRO O=[N+]([O-])c1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c2ncccc12 ZINC000090322846 347653332 /nfs/dbraw/zinc/65/33/32/347653332.db2.gz OUARAKDTRUUQNG-GHMZBOCLSA-N 1 0 284.319 1.799 20 5 CDBDRO CC(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000057838426 348848296 /nfs/dbraw/zinc/84/82/96/348848296.db2.gz OGZICBGJCIIVJC-UHFFFAOYSA-N 1 0 264.329 1.957 20 5 CDBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCC(O)CC2)c(F)c1 ZINC000060378715 348888113 /nfs/dbraw/zinc/88/81/13/348888113.db2.gz FEZFYJWOJQGBMA-UHFFFAOYSA-N 1 0 297.330 1.993 20 5 CDBDRO CCC[N@H+](C)CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000063761981 348932083 /nfs/dbraw/zinc/93/20/83/348932083.db2.gz HJOJGQOXDKNCEG-UHFFFAOYSA-N 1 0 294.355 1.465 20 5 CDBDRO CCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000067949140 349042610 /nfs/dbraw/zinc/04/26/10/349042610.db2.gz RDTHAPPYYBYRPV-UHFFFAOYSA-N 1 0 250.302 1.522 20 5 CDBDRO O=[N+]([O-])c1ccccc1NCC1CC[NH+](CCO)CC1 ZINC000105791613 186070926 /nfs/dbraw/zinc/07/09/26/186070926.db2.gz XIDZQPNTALBULJ-UHFFFAOYSA-N 1 0 279.340 1.711 20 5 CDBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000105822116 186073870 /nfs/dbraw/zinc/07/38/70/186073870.db2.gz JEPNYSKEITYARJ-QWHCGFSZSA-N 1 0 293.367 1.482 20 5 CDBDRO COc1ccc(C[NH2+]C[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000105932523 186091723 /nfs/dbraw/zinc/09/17/23/186091723.db2.gz FJJMBENUKQAFAL-GFCCVEGCSA-N 1 0 295.339 1.024 20 5 CDBDRO Cc1c(C(=O)NCC[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000110795084 186324995 /nfs/dbraw/zinc/32/49/95/186324995.db2.gz MWCRWXOBBMBUMM-LLVKDONJSA-N 1 0 277.324 1.633 20 5 CDBDRO C[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000078736735 350847418 /nfs/dbraw/zinc/84/74/18/350847418.db2.gz UIBOMIVTZFCZQK-JTQLQIEISA-N 1 0 281.312 1.040 20 5 CDBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000291613268 198049618 /nfs/dbraw/zinc/04/96/18/198049618.db2.gz STOCPGHADLYYTH-SECBINFHSA-N 1 0 297.359 1.477 20 5 CDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000122151771 187017505 /nfs/dbraw/zinc/01/75/05/187017505.db2.gz NNHDGIPKLJTIFY-NSHDSACASA-N 1 0 254.290 1.026 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000124125528 187123332 /nfs/dbraw/zinc/12/33/32/187123332.db2.gz RQGPTQUAYCNRCN-JTQLQIEISA-N 1 0 281.287 1.524 20 5 CDBDRO Cc1cc(C(=O)N[C@H](C[NH3+])C2CC2)cc([N+](=O)[O-])c1 ZINC000135240410 187811038 /nfs/dbraw/zinc/81/10/38/187811038.db2.gz SKGDAZPXAQQKSY-GFCCVEGCSA-N 1 0 263.297 1.370 20 5 CDBDRO [NH3+][C@H]1CC[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000150758033 187925299 /nfs/dbraw/zinc/92/52/99/187925299.db2.gz DSMCBLMNGOTCCF-MNOVXSKESA-N 1 0 292.339 1.250 20 5 CDBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000157305876 188309095 /nfs/dbraw/zinc/30/90/95/188309095.db2.gz LEBQRIVDKLPPSC-UHFFFAOYSA-N 1 0 294.355 1.495 20 5 CDBDRO CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC000159780688 363297973 /nfs/dbraw/zinc/29/79/73/363297973.db2.gz WPULQKHRSHLHMO-VFNNOXKTSA-N 1 0 289.335 1.804 20 5 CDBDRO CCC[C@H]([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000037029649 363315853 /nfs/dbraw/zinc/31/58/53/363315853.db2.gz IRDVXUXISOWSRG-JTQLQIEISA-N 1 0 251.286 1.969 20 5 CDBDRO C[C@@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)C[C@H]1C[NH3+] ZINC001579444356 1172181152 /nfs/dbraw/zinc/18/11/52/1172181152.db2.gz HITGQJOZIXWIQL-PSASIEDQSA-N 1 0 283.303 1.257 20 5 CDBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1[NH+](C)C ZINC000271839959 191360774 /nfs/dbraw/zinc/36/07/74/191360774.db2.gz UEHFZXPPRWDUGH-NXEZZACHSA-N 1 0 298.368 1.041 20 5 CDBDRO C[NH+]1CCN(CCCNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000286179001 356227101 /nfs/dbraw/zinc/22/71/01/356227101.db2.gz QBTYYANWKLGANF-UHFFFAOYSA-N 1 0 296.346 1.783 20 5 CDBDRO CC[C@@H]([NH3+])c1cn(Cc2cccc([N+](=O)[O-])c2C)nn1 ZINC000229935106 356322063 /nfs/dbraw/zinc/32/20/63/356322063.db2.gz YJPWMBJBNADVGL-LLVKDONJSA-N 1 0 275.312 1.953 20 5 CDBDRO C[C@@H]1CCCC[C@]1(C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000308710704 356335256 /nfs/dbraw/zinc/33/52/56/356335256.db2.gz NXZODRVTBNVBCA-XBFCOCLRSA-N 1 0 296.371 1.711 20 5 CDBDRO C[C@@H]1CCCC[C@]1(C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000308710701 356335632 /nfs/dbraw/zinc/33/56/32/356335632.db2.gz NXZODRVTBNVBCA-BNOWGMLFSA-N 1 0 296.371 1.711 20 5 CDBDRO C[C@H]1[NH2+]CC[C@@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001579500379 1172199919 /nfs/dbraw/zinc/19/99/19/1172199919.db2.gz BPCIAMKSPYFGBM-MNOVXSKESA-N 1 0 293.323 1.230 20 5 CDBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])[C@H](C[NH3+])C1CC1 ZINC000359909714 356441226 /nfs/dbraw/zinc/44/12/26/356441226.db2.gz YTFBDBCNYZTCTI-CYBMUJFWSA-N 1 0 267.304 1.903 20 5 CDBDRO C[C@H](Nc1ncc([N+](=O)[O-])cn1)C1=CC[N@H+](C)CC1 ZINC000273714809 192275726 /nfs/dbraw/zinc/27/57/26/192275726.db2.gz FURAZZGSACLHPO-VIFPVBQESA-N 1 0 263.301 1.447 20 5 CDBDRO CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866327 357112216 /nfs/dbraw/zinc/11/22/16/357112216.db2.gz RHQKPMHUIIVXKU-JTQLQIEISA-N 1 0 250.302 1.886 20 5 CDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000237060069 363577444 /nfs/dbraw/zinc/57/74/44/363577444.db2.gz OARJQJGPHMUUST-SNVBAGLBSA-N 1 0 292.339 1.143 20 5 CDBDRO C[N@H+](C[C@@H](O)COc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000290514162 357210370 /nfs/dbraw/zinc/21/03/70/357210370.db2.gz BSWYXNAXIJBTJT-LLVKDONJSA-N 1 0 284.287 1.568 20 5 CDBDRO C[NH2+][C@@H](C)Cc1noc(COc2ccccc2[N+](=O)[O-])n1 ZINC000261884321 357338135 /nfs/dbraw/zinc/33/81/35/357338135.db2.gz WSZPDOZWMPCZMV-VIFPVBQESA-N 1 0 292.295 1.707 20 5 CDBDRO O=[N+]([O-])c1cccc(OCCN2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360542634 357435762 /nfs/dbraw/zinc/43/57/62/357435762.db2.gz DBNRNFWGQSVKEO-OAHLLOKOSA-N 1 0 291.351 1.659 20 5 CDBDRO CC(C)(CC(N)=O)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000186226300 357626840 /nfs/dbraw/zinc/62/68/40/357626840.db2.gz JAORTUQFIDUVFJ-UHFFFAOYSA-N 1 0 251.286 1.338 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H]2CCCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000135221132 357792638 /nfs/dbraw/zinc/79/26/38/357792638.db2.gz OZFMNSGQHCWTTJ-LBPRGKRZSA-N 1 0 277.324 1.775 20 5 CDBDRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000135225462 357798155 /nfs/dbraw/zinc/79/81/55/357798155.db2.gz BLTZIDKQUPABDZ-VIFPVBQESA-N 1 0 295.314 1.933 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CC[C@H](O)C2)cs1 ZINC000188816028 357940715 /nfs/dbraw/zinc/94/07/15/357940715.db2.gz IIYPIHWPNOQMCF-WPRPVWTQSA-N 1 0 256.327 1.907 20 5 CDBDRO COC(CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)OC ZINC000188962767 357956929 /nfs/dbraw/zinc/95/69/29/357956929.db2.gz CJQMHEPUJCXWAG-UHFFFAOYSA-N 1 0 295.339 1.336 20 5 CDBDRO CC(C)C[C@H]1C(=O)NCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000189821551 358041711 /nfs/dbraw/zinc/04/17/11/358041711.db2.gz OZPROVIGOSBYQY-AWEZNQCLSA-N 1 0 291.351 1.941 20 5 CDBDRO Cc1cc(C(=O)N[C@@H](C)C[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000286947532 358046199 /nfs/dbraw/zinc/04/61/99/358046199.db2.gz KJUBGQVLQHEORG-VIFPVBQESA-N 1 0 280.328 1.165 20 5 CDBDRO COC(=O)c1cnc(NCCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000190163536 358056491 /nfs/dbraw/zinc/05/64/91/358056491.db2.gz XJFYRGMXUBEBNW-UHFFFAOYSA-N 1 0 282.300 1.140 20 5 CDBDRO CN(CC[N@@H+]1CCCOCC1)Cc1ccccc1[N+](=O)[O-] ZINC000361290743 358149580 /nfs/dbraw/zinc/14/95/80/358149580.db2.gz UAONZKPXFYXVQS-UHFFFAOYSA-N 1 0 293.367 1.749 20 5 CDBDRO CO[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000361385223 358168600 /nfs/dbraw/zinc/16/86/00/358168600.db2.gz ONIARZPFGUBLFB-VIFPVBQESA-N 1 0 254.261 1.955 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000127342517 358190661 /nfs/dbraw/zinc/19/06/61/358190661.db2.gz JXFZSEWKGWQYQX-SCZZXKLOSA-N 1 0 267.333 1.293 20 5 CDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000247445975 358330777 /nfs/dbraw/zinc/33/07/77/358330777.db2.gz PUBGRRJEDKIZLK-NXEZZACHSA-N 1 0 281.312 1.600 20 5 CDBDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000193700289 358317726 /nfs/dbraw/zinc/31/77/26/358317726.db2.gz JWEWPGKSIVWPNH-ICCMNZRJSA-N 1 0 289.335 1.722 20 5 CDBDRO CC[C@@H](CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000436410645 358426597 /nfs/dbraw/zinc/42/65/97/358426597.db2.gz LFFZEWYSKNUQGP-HWPRWLFBSA-N 1 0 250.298 1.969 20 5 CDBDRO CC[C@@H](C)[N@H+](CCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000287427042 358581775 /nfs/dbraw/zinc/58/17/75/358581775.db2.gz PHEQHMGNAMQORD-BXUZGUMPSA-N 1 0 282.340 1.721 20 5 CDBDRO COCC[C@H](CO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567123909 358630762 /nfs/dbraw/zinc/63/07/62/358630762.db2.gz VFFMKBSZMZQUOA-ZWNOBZJWSA-N 1 0 280.324 1.569 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000236192550 358598975 /nfs/dbraw/zinc/59/89/75/358598975.db2.gz UTIOWZDMPAMWTF-QMMMGPOBSA-N 1 0 270.720 1.818 20 5 CDBDRO CC(C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294940892 199262063 /nfs/dbraw/zinc/26/20/63/199262063.db2.gz XXZAOOVGAXNHJQ-JOYOIKCWSA-N 1 0 267.329 1.845 20 5 CDBDRO C[C@]1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000161734434 358893038 /nfs/dbraw/zinc/89/30/38/358893038.db2.gz WOJFBDDNWYJTNU-ZDUSSCGKSA-N 1 0 250.298 1.906 20 5 CDBDRO COc1ccc(CN2C[C@@H]3[NH2+]CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000299921234 358973331 /nfs/dbraw/zinc/97/33/31/358973331.db2.gz LZPHJBVTPJQJON-STQMWFEESA-N 1 0 291.351 1.787 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC000299923361 358976123 /nfs/dbraw/zinc/97/61/23/358976123.db2.gz WGSWJOXCIDCTKV-OCCSQVGLSA-N 1 0 261.325 1.779 20 5 CDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000127444562 358992400 /nfs/dbraw/zinc/99/24/00/358992400.db2.gz ORTPBSKAXGHWNE-ZDUSSCGKSA-N 1 0 283.303 1.837 20 5 CDBDRO [NH3+]C1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000420142454 283415571 /nfs/dbraw/zinc/41/55/71/283415571.db2.gz KJFIEHWFOHFSBA-UHFFFAOYSA-N 1 0 289.295 1.572 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@H+](C)CC ZINC000288013667 359145713 /nfs/dbraw/zinc/14/57/13/359145713.db2.gz BPRWPZRIQLLKJU-UHFFFAOYSA-N 1 0 255.322 1.483 20 5 CDBDRO CCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000049558046 359361843 /nfs/dbraw/zinc/36/18/43/359361843.db2.gz MLHRVMSVYFESMC-UHFFFAOYSA-N 1 0 265.317 1.671 20 5 CDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[NH2+]C1 ZINC000050163115 359352825 /nfs/dbraw/zinc/35/28/25/359352825.db2.gz XQTWKCUMYNMGBI-UWVGGRQHSA-N 1 0 295.314 1.852 20 5 CDBDRO C[C@H](CO)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000289491379 359583384 /nfs/dbraw/zinc/58/33/84/359583384.db2.gz RTOZNFQEENFOJP-OKPNEXGHSA-N 1 0 250.298 1.921 20 5 CDBDRO [NH3+]C1(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000296976627 200051573 /nfs/dbraw/zinc/05/15/73/200051573.db2.gz VAXJZYUEPDIJBA-UHFFFAOYSA-N 1 0 291.351 1.915 20 5 CDBDRO [NH3+]CCN(CC1=CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000289664333 359662292 /nfs/dbraw/zinc/66/22/92/359662292.db2.gz CYRHRPCGQVJDIL-UHFFFAOYSA-N 1 0 277.324 1.707 20 5 CDBDRO [NH3+]C[C@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000050246190 359689332 /nfs/dbraw/zinc/68/93/32/359689332.db2.gz OOTCUGFWTOKVTL-MRVPVSSYSA-N 1 0 283.715 1.669 20 5 CDBDRO Cc1c(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000487309908 359945475 /nfs/dbraw/zinc/94/54/75/359945475.db2.gz PHFUNDKCPXMMNQ-MFKMUULPSA-N 1 0 291.351 1.717 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC(=O)N(C)C1 ZINC000562478262 360012102 /nfs/dbraw/zinc/01/21/02/360012102.db2.gz ZFBFHCKPHDZJCR-GFCCVEGCSA-N 1 0 277.324 1.647 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000089091231 283516862 /nfs/dbraw/zinc/51/68/62/283516862.db2.gz ZVFRHAZNUASYPQ-HTQZYQBOSA-N 1 0 253.258 1.045 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000135882011 360138971 /nfs/dbraw/zinc/13/89/71/360138971.db2.gz XUDOBFSPWCYINA-JQWIXIFHSA-N 1 0 277.324 1.333 20 5 CDBDRO CC[NH+](CC)CCSCCn1ccc([N+](=O)[O-])n1 ZINC000176944907 189015996 /nfs/dbraw/zinc/01/59/96/189015996.db2.gz VSGAXUNTQSBFIT-UHFFFAOYSA-N 1 0 272.374 1.866 20 5 CDBDRO Cc1c(C(=O)NCC2=CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000169271326 360173261 /nfs/dbraw/zinc/17/32/61/360173261.db2.gz QGUFUWCHOCNPCM-UHFFFAOYSA-N 1 0 275.308 1.553 20 5 CDBDRO CC1(C)[C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000514795735 360233525 /nfs/dbraw/zinc/23/35/25/360233525.db2.gz CXCBOLVMPRDZGU-OLZOCXBDSA-N 1 0 280.324 1.723 20 5 CDBDRO C[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[NH2+]1 ZINC000235661574 360237504 /nfs/dbraw/zinc/23/75/04/360237504.db2.gz VNQGPGHHTPCDOR-ZETCQYMHSA-N 1 0 290.245 1.807 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135230703 283542243 /nfs/dbraw/zinc/54/22/43/283542243.db2.gz PMVFQRZNJANGPP-MRVPVSSYSA-N 1 0 269.276 1.319 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000408343087 360681585 /nfs/dbraw/zinc/68/15/85/360681585.db2.gz NGBNGWMZGNVFHK-WDEREUQCSA-N 1 0 279.344 1.249 20 5 CDBDRO CC(C)(C)[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000178869239 189151500 /nfs/dbraw/zinc/15/15/00/189151500.db2.gz GARGQAGSIITDBI-VXGBXAGGSA-N 1 0 295.339 1.118 20 5 CDBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000358305427 360935308 /nfs/dbraw/zinc/93/53/08/360935308.db2.gz SRWUKAUKSMPNIP-CYBMUJFWSA-N 1 0 282.344 1.586 20 5 CDBDRO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC1CC1 ZINC000053184705 361183250 /nfs/dbraw/zinc/18/32/50/361183250.db2.gz IUKYPUQFDFUMBJ-UHFFFAOYSA-N 1 0 289.335 1.826 20 5 CDBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[C@@H]1[NH3+] ZINC000582350867 364080272 /nfs/dbraw/zinc/08/02/72/364080272.db2.gz MYVSBSGNFAKETE-XVKPBYJWSA-N 1 0 254.265 1.302 20 5 CDBDRO Cn1c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000345853410 364043004 /nfs/dbraw/zinc/04/30/04/364043004.db2.gz OCEZZRUJEDZKBQ-GHMZBOCLSA-N 1 0 292.339 1.290 20 5 CDBDRO Cc1ccc(C[NH2+][C@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000168212479 364117896 /nfs/dbraw/zinc/11/78/96/364117896.db2.gz LJKLIDKQMPGHNV-MLCYQJTMSA-N 1 0 270.354 1.760 20 5 CDBDRO Cc1ccc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000189303178 189529308 /nfs/dbraw/zinc/52/93/08/189529308.db2.gz RFRQFVZFRTUKKO-CMPLNLGQSA-N 1 0 277.324 1.774 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290195403 364538869 /nfs/dbraw/zinc/53/88/69/364538869.db2.gz QSDBCDWBQJUKQS-LLVKDONJSA-N 1 0 293.323 1.650 20 5 CDBDRO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000249561561 364889009 /nfs/dbraw/zinc/88/90/09/364889009.db2.gz LTADVVNXZNBPPC-BXUZGUMPSA-N 1 0 280.324 1.676 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H]2CCC=CO2)c1 ZINC000194514314 189662252 /nfs/dbraw/zinc/66/22/52/189662252.db2.gz XYUURZUUMFDBSQ-LLVKDONJSA-N 1 0 252.274 1.074 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000344592933 365038764 /nfs/dbraw/zinc/03/87/64/365038764.db2.gz PXFRSCUTJOOOFN-LLVKDONJSA-N 1 0 292.339 1.623 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC(O)CC1 ZINC000353504134 365262867 /nfs/dbraw/zinc/26/28/67/365262867.db2.gz QDSYZPWEKIIYNR-UHFFFAOYSA-N 1 0 280.324 1.997 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H](C)C[NH3+] ZINC000414655133 241303052 /nfs/dbraw/zinc/30/30/52/241303052.db2.gz GRHCMSROULYXHT-SECBINFHSA-N 1 0 266.301 1.714 20 5 CDBDRO Cc1ccc(NC(=O)N2CCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000414666423 241312689 /nfs/dbraw/zinc/31/26/89/241312689.db2.gz WJRYUSHOIZYYAA-LLVKDONJSA-N 1 0 294.311 1.095 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000352016233 367337197 /nfs/dbraw/zinc/33/71/97/367337197.db2.gz VZMWCRVYBDYBHL-ZJUUUORDSA-N 1 0 295.314 1.899 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000269140874 367323889 /nfs/dbraw/zinc/32/38/89/367323889.db2.gz VYYCNFAHMKOVSV-GFCCVEGCSA-N 1 0 291.351 1.693 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417225369 242366807 /nfs/dbraw/zinc/36/68/07/242366807.db2.gz JJKBCJLCRRVRIW-SNVBAGLBSA-N 1 0 280.328 1.126 20 5 CDBDRO C[NH+](C)CCO[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000352054068 367680941 /nfs/dbraw/zinc/68/09/41/367680941.db2.gz YVLJYMKPWKHZIR-LBPRGKRZSA-N 1 0 279.340 1.752 20 5 CDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000269177016 367846547 /nfs/dbraw/zinc/84/65/47/367846547.db2.gz ISQZXKIEJCULGQ-ZYHUDNBSSA-N 1 0 292.339 1.479 20 5 CDBDRO CC(=O)c1cc(NCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000287007377 369059077 /nfs/dbraw/zinc/05/90/77/369059077.db2.gz PHNZMXIJLUHUKT-UHFFFAOYSA-N 1 0 251.286 1.771 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000420367730 244153866 /nfs/dbraw/zinc/15/38/66/244153866.db2.gz NFRWCJKKTDCKEY-XUJVJEKNSA-N 1 0 293.367 1.950 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ncccc1[N+](=O)[O-] ZINC000420645048 244308381 /nfs/dbraw/zinc/30/83/81/244308381.db2.gz ZSXAQKBFPIQTEF-SNVBAGLBSA-N 1 0 250.302 1.520 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)C[C@H]1CCC[N@@H+]1C ZINC000420635829 244300950 /nfs/dbraw/zinc/30/09/50/244300950.db2.gz MLDYAEHNXUTGCM-LLVKDONJSA-N 1 0 281.360 1.650 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000168695622 370969499 /nfs/dbraw/zinc/96/94/99/370969499.db2.gz QCBOIIQZPQZROQ-ZYHUDNBSSA-N 1 0 277.324 1.713 20 5 CDBDRO C[C@H]([N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000295241613 369720221 /nfs/dbraw/zinc/72/02/21/369720221.db2.gz YFKZRWOKYJSKJZ-JTQLQIEISA-N 1 0 295.339 1.625 20 5 CDBDRO CC1(C)CCC[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000094324252 139694454 /nfs/dbraw/zinc/69/44/54/139694454.db2.gz CBGWFDZGFUHRAE-NEPJUHHUSA-N 1 0 282.344 1.321 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[NH2+]1 ZINC000037668445 369783853 /nfs/dbraw/zinc/78/38/53/369783853.db2.gz JRSYRVCTAQNRAB-LBPRGKRZSA-N 1 0 263.297 1.353 20 5 CDBDRO CC(C)[C@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CS1 ZINC000277066168 193545946 /nfs/dbraw/zinc/54/59/46/193545946.db2.gz DNGYNRVQLBGIHX-ZYHUDNBSSA-N 1 0 284.385 1.911 20 5 CDBDRO Cc1nc(N[C@@H](C)CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000295483842 370388823 /nfs/dbraw/zinc/38/88/23/370388823.db2.gz JMUSWJIRBSLOPX-QMMMGPOBSA-N 1 0 253.306 1.445 20 5 CDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000389730879 370520014 /nfs/dbraw/zinc/52/00/14/370520014.db2.gz QPQPLGKMCJEWLI-ZDUSSCGKSA-N 1 0 291.351 1.642 20 5 CDBDRO CCC[NH2+][C@@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000295748626 370619310 /nfs/dbraw/zinc/61/93/10/370619310.db2.gz PIXAVGFQXVEUKO-JTQLQIEISA-N 1 0 277.324 1.872 20 5 CDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]C1 ZINC000422744266 245204999 /nfs/dbraw/zinc/20/49/99/245204999.db2.gz JTKDJAIGRFBEPT-VIFPVBQESA-N 1 0 295.364 1.799 20 5 CDBDRO COc1ccc(CN[C@@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000414932450 371143764 /nfs/dbraw/zinc/14/37/64/371143764.db2.gz RCTLLKLNXZZWMO-ZYHUDNBSSA-N 1 0 279.340 1.691 20 5 CDBDRO Cc1cccc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c1[N+](=O)[O-] ZINC000368194194 371854509 /nfs/dbraw/zinc/85/45/09/371854509.db2.gz PJXKAGNXTFNBBV-UWVGGRQHSA-N 1 0 281.287 1.333 20 5 CDBDRO CC[C@@H](NC(=O)[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000120793647 372798829 /nfs/dbraw/zinc/79/88/29/372798829.db2.gz YOIPJLDTHUJIGV-GZMMTYOYSA-N 1 0 251.286 1.509 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000441615530 373715285 /nfs/dbraw/zinc/71/52/85/373715285.db2.gz ZQATURWBJWDDER-SSDOTTSWSA-N 1 0 255.249 1.059 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000298474122 373666224 /nfs/dbraw/zinc/66/62/24/373666224.db2.gz CKOCKDYPASWOIX-KGLIPLIRSA-N 1 0 289.335 1.951 20 5 CDBDRO CCCN(CC(=O)NC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269676434 373674199 /nfs/dbraw/zinc/67/41/99/373674199.db2.gz WQKCXUWYJDSBJN-ZDUSSCGKSA-N 1 0 295.339 1.086 20 5 CDBDRO O=C(C[C@@H]1CSCC[NH2+]1)NCc1ccccc1[N+](=O)[O-] ZINC000091290831 373886361 /nfs/dbraw/zinc/88/63/61/373886361.db2.gz HWEBGIXQBIHIJB-LLVKDONJSA-N 1 0 295.364 1.306 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000423631780 245947550 /nfs/dbraw/zinc/94/75/50/245947550.db2.gz MZSAJDPUBBCSFE-JTQLQIEISA-N 1 0 265.313 1.549 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000347151264 374374369 /nfs/dbraw/zinc/37/43/69/374374369.db2.gz ZTWMHINYJBLCNS-FVOPLDGLSA-N 1 0 261.325 1.902 20 5 CDBDRO Cc1c([C@@H](C)NC[C@@H]2C[NH2+]CCCO2)cccc1[N+](=O)[O-] ZINC000423504518 374384910 /nfs/dbraw/zinc/38/49/10/374384910.db2.gz GDBHYZJTSMUAIA-OLZOCXBDSA-N 1 0 293.367 1.932 20 5 CDBDRO Cc1ccc([C@@H](C)NC[C@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000423511229 374387392 /nfs/dbraw/zinc/38/73/92/374387392.db2.gz KDHPCUKDRRLSHG-TZMCWYRMSA-N 1 0 293.367 1.932 20 5 CDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)CN(C)C ZINC000154393060 374699583 /nfs/dbraw/zinc/69/95/83/374699583.db2.gz MPPDUWPLIJBVGR-OCCSQVGLSA-N 1 0 295.383 1.428 20 5 CDBDRO COCC[N@H+](C)CCCNc1ncc([N+](=O)[O-])cc1C ZINC000092607602 374700060 /nfs/dbraw/zinc/70/00/60/374700060.db2.gz FZCREPOGVDLNQV-UHFFFAOYSA-N 1 0 282.344 1.678 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000447818777 374715198 /nfs/dbraw/zinc/71/51/98/374715198.db2.gz YSCVESGFYNFAFB-SNVBAGLBSA-N 1 0 281.360 1.861 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)[C@H]2CCCO2)c(F)c1 ZINC000447911968 374722236 /nfs/dbraw/zinc/72/22/36/374722236.db2.gz IZWSDTSBAPRRLF-CHWSQXEVSA-N 1 0 284.287 1.363 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000447968991 374727856 /nfs/dbraw/zinc/72/78/56/374727856.db2.gz TYPHAWFYKGZQFZ-ZIAGYGMSSA-N 1 0 280.324 1.533 20 5 CDBDRO CNC(=O)[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449340394 374802254 /nfs/dbraw/zinc/80/22/54/374802254.db2.gz OJGCRCMUNHNTOO-ZJUUUORDSA-N 1 0 265.313 1.250 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000278564324 374847252 /nfs/dbraw/zinc/84/72/52/374847252.db2.gz BQMCJEQCIVPUAQ-ZWKOPEQDSA-N 1 0 266.297 1.002 20 5 CDBDRO CC(C)(O)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331340601 374934204 /nfs/dbraw/zinc/93/42/04/374934204.db2.gz NDLLBMNMXZIKSF-QWRGUYRKSA-N 1 0 282.344 1.636 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]1C[NH3+] ZINC000156100282 375027863 /nfs/dbraw/zinc/02/78/63/375027863.db2.gz AMVIGGSAHCJCQN-LLVKDONJSA-N 1 0 299.352 1.015 20 5 CDBDRO CC(C)OC[C@@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282479510 375088742 /nfs/dbraw/zinc/08/87/42/375088742.db2.gz OOSFFUBUUWBFHD-HNNXBMFYSA-N 1 0 296.367 1.855 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000161969995 375244876 /nfs/dbraw/zinc/24/48/76/375244876.db2.gz PQTIHOKFESWXIL-RYUDHWBXSA-N 1 0 277.324 1.523 20 5 CDBDRO CC1(C)CN(c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000302511103 375211406 /nfs/dbraw/zinc/21/14/06/375211406.db2.gz FZLLEFAGJOFXMR-UHFFFAOYSA-N 1 0 279.340 1.488 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000162180039 375289437 /nfs/dbraw/zinc/28/94/37/375289437.db2.gz LJVOULDNXRYJTJ-WDEREUQCSA-N 1 0 277.324 1.903 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[NH2+]CC1 ZINC000237812299 375591918 /nfs/dbraw/zinc/59/19/18/375591918.db2.gz XGWISHOPHDTBTO-UHFFFAOYSA-N 1 0 297.742 1.613 20 5 CDBDRO C[C@@H](NC[C@H](O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000305150279 375559490 /nfs/dbraw/zinc/55/94/90/375559490.db2.gz TWQHZTYIROBAAP-MFKMUULPSA-N 1 0 267.329 1.168 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000305166784 375562455 /nfs/dbraw/zinc/56/24/55/375562455.db2.gz HWZIAXUXUGYZPZ-GJZGRUSLSA-N 1 0 292.335 1.741 20 5 CDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C1CC(O)C1 ZINC000353478744 375615799 /nfs/dbraw/zinc/61/57/99/375615799.db2.gz GBNBCXIWVLGYNJ-ALXWSUNGSA-N 1 0 293.323 1.377 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000058148665 375669243 /nfs/dbraw/zinc/66/92/43/375669243.db2.gz IJJUZPLTYTVVBE-GFCCVEGCSA-N 1 0 289.335 1.490 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000261721614 190043220 /nfs/dbraw/zinc/04/32/20/190043220.db2.gz KIOXYUXUIMJERE-GBIKHYSHSA-N 1 0 277.324 1.711 20 5 CDBDRO CC(C)(C)[NH2+]CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347433816 376144485 /nfs/dbraw/zinc/14/44/85/376144485.db2.gz QBIGZGGNCNJHBH-UHFFFAOYSA-N 1 0 289.339 1.760 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000262802061 190062902 /nfs/dbraw/zinc/06/29/02/190062902.db2.gz OANWPHXDMSNFIP-KWQFWETISA-N 1 0 281.287 1.462 20 5 CDBDRO Cc1ccc(NCCCNC(=O)[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000161541313 376923771 /nfs/dbraw/zinc/92/37/71/376923771.db2.gz MWIYEFULFPAAKT-JTQLQIEISA-N 1 0 280.328 1.169 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000357373336 377118070 /nfs/dbraw/zinc/11/80/70/377118070.db2.gz KJKBTNYQKWIFHQ-SECBINFHSA-N 1 0 268.317 1.381 20 5 CDBDRO CCc1n[nH]c(C(=O)N2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000171807690 377054960 /nfs/dbraw/zinc/05/49/60/377054960.db2.gz WLEVBHGMRSVVKK-SECBINFHSA-N 1 0 295.343 1.047 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264913861 190143908 /nfs/dbraw/zinc/14/39/08/190143908.db2.gz NYISGZDBNOUQKZ-JTQLQIEISA-N 1 0 265.313 1.665 20 5 CDBDRO CC[N@H+](C)CCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000054112393 377760136 /nfs/dbraw/zinc/76/01/36/377760136.db2.gz OVLZJXLTVJJAJX-UHFFFAOYSA-N 1 0 267.329 1.645 20 5 CDBDRO Cc1ccc(NCCC[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000269973680 377829909 /nfs/dbraw/zinc/82/99/09/377829909.db2.gz YGUVIHOCQJBZHR-UHFFFAOYSA-N 1 0 292.383 1.953 20 5 CDBDRO C[NH+](C)C(C)(C)CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000439131305 249662486 /nfs/dbraw/zinc/66/24/86/249662486.db2.gz HYVVMFYXOFAFJG-UHFFFAOYSA-N 1 0 280.328 1.446 20 5 CDBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1(O)CCC1 ZINC000444669817 250162479 /nfs/dbraw/zinc/16/24/79/250162479.db2.gz FXEZWEXLJUPYDQ-UHFFFAOYSA-N 1 0 290.323 1.818 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@]1(CCO)CCOC1 ZINC000447079469 250339710 /nfs/dbraw/zinc/33/97/10/250339710.db2.gz VXNOVAYVAQCIJY-UYWPIULCSA-N 1 0 292.335 1.739 20 5 CDBDRO COCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447519468 250380100 /nfs/dbraw/zinc/38/01/00/250380100.db2.gz QNJACKVRTLWQIA-GHMZBOCLSA-N 1 0 268.317 1.511 20 5 CDBDRO CCC(C)(C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266769504 190279854 /nfs/dbraw/zinc/27/98/54/190279854.db2.gz WEAXNUUJJPDYPX-LLVKDONJSA-N 1 0 270.333 1.273 20 5 CDBDRO CCC[N@H+](CC)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000266883095 190287284 /nfs/dbraw/zinc/28/72/84/190287284.db2.gz AYSDRQGWIQGKEN-UHFFFAOYSA-N 1 0 293.367 1.985 20 5 CDBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)CC1CC1 ZINC000174863168 379596777 /nfs/dbraw/zinc/59/67/77/379596777.db2.gz LJAOQJHVWNJCEN-UHFFFAOYSA-N 1 0 252.318 1.913 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@]1([NH+](C)C)CCSC1 ZINC000267119415 190304841 /nfs/dbraw/zinc/30/48/41/190304841.db2.gz SYBPXBJEVSPCHR-LLVKDONJSA-N 1 0 285.373 1.178 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000449638216 250944409 /nfs/dbraw/zinc/94/44/09/250944409.db2.gz JRFAKABRNUQZCO-MNOVXSKESA-N 1 0 277.324 1.842 20 5 CDBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000449682011 250967674 /nfs/dbraw/zinc/96/76/74/250967674.db2.gz NEQGRWXFBYDSPW-LBPRGKRZSA-N 1 0 295.314 1.996 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000449745101 250995625 /nfs/dbraw/zinc/99/56/25/250995625.db2.gz LIPHBDWVZBPWRO-WDEREUQCSA-N 1 0 293.323 1.347 20 5 CDBDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000280948938 195042294 /nfs/dbraw/zinc/04/22/94/195042294.db2.gz JMHKLNBJTXOSQM-JTQLQIEISA-N 1 0 298.364 1.823 20 5 CDBDRO C[C@H](CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000492920049 253326057 /nfs/dbraw/zinc/32/60/57/253326057.db2.gz HSPNSEOGKPEWPW-QDZRJHCZSA-N 1 0 291.351 1.922 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[C@H](N[C@@H]1CC[NH2+]C1)C1CC1 ZINC000423205321 285161911 /nfs/dbraw/zinc/16/19/11/285161911.db2.gz PCWROVYDNIAUID-KGLIPLIRSA-N 1 0 275.352 1.867 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C[NH3+])C(C)C ZINC000433127753 390495633 /nfs/dbraw/zinc/49/56/33/390495633.db2.gz JJVPGPHZCQHNKI-GFCCVEGCSA-N 1 0 295.339 1.451 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000135243198 390621594 /nfs/dbraw/zinc/62/15/94/390621594.db2.gz QOZJNDNBTKAMMJ-LBPRGKRZSA-N 1 0 277.324 1.727 20 5 CDBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000451631529 390638406 /nfs/dbraw/zinc/63/84/06/390638406.db2.gz MCVYZJNWEGDQLD-DGCLKSJQSA-N 1 0 293.323 1.351 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000338421843 390662579 /nfs/dbraw/zinc/66/25/79/390662579.db2.gz PWXTWDZBTFCQQV-UHFFFAOYSA-N 1 0 268.317 1.003 20 5 CDBDRO C[NH2+]C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000430922370 390942557 /nfs/dbraw/zinc/94/25/57/390942557.db2.gz ZWGMXFVGRHIJGB-UHFFFAOYSA-N 1 0 279.340 1.657 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000178727193 390888466 /nfs/dbraw/zinc/88/84/66/390888466.db2.gz ASVPHCCNTKKJSR-VIFPVBQESA-N 1 0 279.296 1.085 20 5 CDBDRO C[N@@H+]1CCC[C@H]1CCSc1ncc([N+](=O)[O-])c(N)n1 ZINC000516663947 390966209 /nfs/dbraw/zinc/96/62/09/390966209.db2.gz HCSXRSGLADDRGW-QMMMGPOBSA-N 1 0 283.357 1.374 20 5 CDBDRO COC[C@@](C)(O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000517173219 390968515 /nfs/dbraw/zinc/96/85/15/390968515.db2.gz RUKNARDETJHNAQ-OCCSQVGLSA-N 1 0 280.324 1.569 20 5 CDBDRO Cc1cnc(N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000272255900 390969348 /nfs/dbraw/zinc/96/93/48/390969348.db2.gz ZEWGPTDUEZJBEF-AAEUAGOBSA-N 1 0 276.340 1.829 20 5 CDBDRO C[C@H]1CCC(C)(C)[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000452013650 390977085 /nfs/dbraw/zinc/97/70/85/390977085.db2.gz SWFINNUHMOOVHQ-JQWIXIFHSA-N 1 0 282.344 1.415 20 5 CDBDRO COC(=O)CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173464705 533429156 /nfs/dbraw/zinc/42/91/56/533429156.db2.gz IEYDUCSZKKNMMR-JTQLQIEISA-N 1 0 294.311 1.039 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000415031281 391247007 /nfs/dbraw/zinc/24/70/07/391247007.db2.gz DMGZKEXLMVNOIU-GFCCVEGCSA-N 1 0 267.304 1.964 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000237242336 391272765 /nfs/dbraw/zinc/27/27/65/391272765.db2.gz ZDTXCNKQBRENEW-JOYOIKCWSA-N 1 0 293.323 1.461 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366130734 391342396 /nfs/dbraw/zinc/34/23/96/391342396.db2.gz AFMIYWZFGLTHLF-CQSZACIVSA-N 1 0 276.340 1.830 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC(C)(C)C[NH+](C)C ZINC000411099741 391387545 /nfs/dbraw/zinc/38/75/45/391387545.db2.gz MNIBWXGDZHJXQY-UHFFFAOYSA-N 1 0 295.339 1.673 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415629924 391469758 /nfs/dbraw/zinc/46/97/58/391469758.db2.gz JJCJLCJIMPIXIX-LLVKDONJSA-N 1 0 284.291 1.839 20 5 CDBDRO CC[N@H+](C)CCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341800602 130038409 /nfs/dbraw/zinc/03/84/09/130038409.db2.gz RIPBYZSYKCTHLD-UHFFFAOYSA-N 1 0 266.301 1.057 20 5 CDBDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000574210239 391876988 /nfs/dbraw/zinc/87/69/88/391876988.db2.gz PLQCQIQCBTVTFL-ZJUUUORDSA-N 1 0 270.333 1.215 20 5 CDBDRO C[C@@H]([NH3+])CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000442664145 392444274 /nfs/dbraw/zinc/44/42/74/392444274.db2.gz VSJHAYKWYIJKCJ-LLVKDONJSA-N 1 0 279.340 1.785 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000523435401 392887546 /nfs/dbraw/zinc/88/75/46/392887546.db2.gz ZAFCAPHSSFSVRF-UHFFFAOYSA-N 1 0 292.339 1.442 20 5 CDBDRO Cc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000522927606 392882053 /nfs/dbraw/zinc/88/20/53/392882053.db2.gz LZMWBOMEFQUZJC-JTQLQIEISA-N 1 0 295.343 1.086 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](CCO)CC2)c1 ZINC000421008617 392926254 /nfs/dbraw/zinc/92/62/54/392926254.db2.gz DLQBCSFKZCKCDP-GFCCVEGCSA-N 1 0 282.344 1.276 20 5 CDBDRO Cc1nc(N(C)C[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000420636320 392920943 /nfs/dbraw/zinc/92/09/43/392920943.db2.gz NAZXOKKVXOAHEV-LLVKDONJSA-N 1 0 264.329 1.829 20 5 CDBDRO COc1ccc(CNC(=O)[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000269054641 132104077 /nfs/dbraw/zinc/10/40/77/132104077.db2.gz VRAXGBZWOHTVDX-NSHDSACASA-N 1 0 293.323 1.362 20 5 CDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[NH3+] ZINC000194855793 392973435 /nfs/dbraw/zinc/97/34/35/392973435.db2.gz HUKKCBDBXWMMFC-DTWKUNHWSA-N 1 0 283.353 1.539 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423594359 392964759 /nfs/dbraw/zinc/96/47/59/392964759.db2.gz NZSRZEWZPHUZIF-TXEJJXNPSA-N 1 0 289.335 1.870 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](C)[NH3+])c1 ZINC000423676305 392965671 /nfs/dbraw/zinc/96/56/71/392965671.db2.gz IRKMGOJXVOVUNF-IUCAKERBSA-N 1 0 281.312 1.459 20 5 CDBDRO CCCc1n[nH]c(C(=O)N2CC[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC000423711395 392967060 /nfs/dbraw/zinc/96/70/60/392967060.db2.gz RNSDXCBEQDTLEW-UHFFFAOYSA-N 1 0 295.343 1.094 20 5 CDBDRO CCOc1cc(C(=O)NC[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000194933001 393020015 /nfs/dbraw/zinc/02/00/15/393020015.db2.gz JSWIPSLKGXAGRF-QMMMGPOBSA-N 1 0 297.311 1.079 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC[C@@H]3CCOC3)CC2)n1 ZINC000425966073 393033542 /nfs/dbraw/zinc/03/35/42/393033542.db2.gz KLGAYTPFSQOFJE-GFCCVEGCSA-N 1 0 294.355 1.855 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000531389721 393061084 /nfs/dbraw/zinc/06/10/84/393061084.db2.gz ZEEPNZLTOVLIJC-GHMZBOCLSA-N 1 0 294.355 1.536 20 5 CDBDRO C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1[NH3+] ZINC000430946806 393107837 /nfs/dbraw/zinc/10/78/37/393107837.db2.gz YBXPLCXQMPVOFD-GXSJLCMTSA-N 1 0 290.323 1.905 20 5 CDBDRO CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@H](C)O ZINC000352209705 393208600 /nfs/dbraw/zinc/20/86/00/393208600.db2.gz CODIYACRQFPUOO-NSHDSACASA-N 1 0 295.339 1.544 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000134120107 139874614 /nfs/dbraw/zinc/87/46/14/139874614.db2.gz RFJCQRKUKLITCT-SNVBAGLBSA-N 1 0 295.314 1.344 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000229584798 140202333 /nfs/dbraw/zinc/20/23/33/140202333.db2.gz VBHOXLRWILEFSW-UFBFGSQYSA-N 1 0 281.287 1.604 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235381091 140234672 /nfs/dbraw/zinc/23/46/72/140234672.db2.gz QURAXTKGVMRJLR-KCJUWKMLSA-N 1 0 281.287 1.604 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1 ZINC000252858004 140328060 /nfs/dbraw/zinc/32/80/60/140328060.db2.gz IOVDLJGESYNUFQ-QEJZJMRPSA-N 1 0 276.336 1.840 20 5 CDBDRO COCC1(CNc2ccc([N+](=O)[O-])cn2)CC[NH2+]CC1 ZINC000261621483 140365107 /nfs/dbraw/zinc/36/51/07/140365107.db2.gz ABTAKEKMSOMEOM-UHFFFAOYSA-N 1 0 280.328 1.418 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000261825624 140395910 /nfs/dbraw/zinc/39/59/10/140395910.db2.gz UJJSZJJDAOXWJY-ZDUSSCGKSA-N 1 0 278.312 1.797 20 5 CDBDRO CNC(=O)c1ccc(NCC(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC000096474869 147113182 /nfs/dbraw/zinc/11/31/82/147113182.db2.gz AHIGGACSJJWGSM-UHFFFAOYSA-N 1 0 266.301 1.104 20 5 CDBDRO C[NH2+]CCN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423226489 397602908 /nfs/dbraw/zinc/60/29/08/397602908.db2.gz QWPYSZUVPANFCF-JTQLQIEISA-N 1 0 280.328 1.121 20 5 CDBDRO CCO[C@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000182036595 148237457 /nfs/dbraw/zinc/23/74/57/148237457.db2.gz GTGWNUPCACJNFS-OLZOCXBDSA-N 1 0 294.355 1.729 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000262763069 149111941 /nfs/dbraw/zinc/11/19/41/149111941.db2.gz IULFBGWWZARNJO-MNOVXSKESA-N 1 0 292.339 1.216 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000310934261 149204418 /nfs/dbraw/zinc/20/44/18/149204418.db2.gz FRZWXVGSMHRUMH-ZETCQYMHSA-N 1 0 255.249 1.201 20 5 CDBDRO C[C@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343458068 152187551 /nfs/dbraw/zinc/18/75/51/152187551.db2.gz VWOYUIORVSVVFK-GWCFXTLKSA-N 1 0 277.324 1.807 20 5 CDBDRO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])nc2)CCC[N@@H+]1C ZINC000343509303 152205856 /nfs/dbraw/zinc/20/58/56/152205856.db2.gz HZCMSRRISOFDDD-MWLCHTKSSA-N 1 0 250.302 1.884 20 5 CDBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000343599320 152239422 /nfs/dbraw/zinc/23/94/22/152239422.db2.gz VINVOTPGIIHMMT-NEPJUHHUSA-N 1 0 284.360 1.567 20 5 CDBDRO CC[N@H+](C[C@H](C)O)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000352185976 155004749 /nfs/dbraw/zinc/00/47/49/155004749.db2.gz HVRHDIIYMUVTLG-WDEREUQCSA-N 1 0 295.339 1.625 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H](C[NH3+])C1 ZINC000357968291 157848538 /nfs/dbraw/zinc/84/85/38/157848538.db2.gz XHSTWNGOVLTWHE-ZDUSSCGKSA-N 1 0 265.313 1.063 20 5 CDBDRO O=[N+]([O-])c1cccc(OCCN2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359273685 158192638 /nfs/dbraw/zinc/19/26/38/158192638.db2.gz JEJHAJDBFQQBSJ-RYUDHWBXSA-N 1 0 277.324 1.125 20 5 CDBDRO Cc1cccc(C(=O)N[C@H]2CC23CC[NH2+]CC3)c1[N+](=O)[O-] ZINC000368384704 159638969 /nfs/dbraw/zinc/63/89/69/159638969.db2.gz KARQPQYZNJMHLS-LBPRGKRZSA-N 1 0 289.335 1.775 20 5 CDBDRO CC(=O)NCCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284287791 196021637 /nfs/dbraw/zinc/02/16/37/196021637.db2.gz XRQUSAKEGOWKCJ-VIFPVBQESA-N 1 0 280.328 1.354 20 5 CDBDRO C[C@H](CO)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000284842729 196142715 /nfs/dbraw/zinc/14/27/15/196142715.db2.gz RAYWYSBHFKWTFU-SNVBAGLBSA-N 1 0 254.286 1.286 20 5 CDBDRO C[C@@H]([NH2+]CCCS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000038047485 174057487 /nfs/dbraw/zinc/05/74/87/174057487.db2.gz JRBRXZXRAZUUOI-SNVBAGLBSA-N 1 0 286.353 1.680 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000040594908 174348095 /nfs/dbraw/zinc/34/80/95/174348095.db2.gz PBEFCSUYLVPORU-ZDUSSCGKSA-N 1 0 291.351 1.595 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000040595890 174348791 /nfs/dbraw/zinc/34/87/91/174348791.db2.gz AWVLHOTXKFWIBO-GFCCVEGCSA-N 1 0 291.351 1.975 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040740854 174391020 /nfs/dbraw/zinc/39/10/20/174391020.db2.gz NAULSSHWGKRWIE-FOSCPWQOSA-N 1 0 290.323 1.999 20 5 CDBDRO [NH3+]C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000043571076 175068659 /nfs/dbraw/zinc/06/86/59/175068659.db2.gz HAJYWYXKOYBLMW-UHFFFAOYSA-N 1 0 267.260 1.297 20 5 CDBDRO Cc1c(C(=O)N2CCC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000044528693 175193588 /nfs/dbraw/zinc/19/35/88/175193588.db2.gz JLKBEVKJYKILEZ-NSHDSACASA-N 1 0 277.324 1.714 20 5 CDBDRO CC(C)[NH+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000045428685 175380796 /nfs/dbraw/zinc/38/07/96/175380796.db2.gz LRDOOPYSPSCREC-UHFFFAOYSA-N 1 0 291.351 1.690 20 5 CDBDRO COC[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000071273128 176105221 /nfs/dbraw/zinc/10/52/21/176105221.db2.gz ICBGUHWAWFWHQY-LLVKDONJSA-N 1 0 254.286 1.000 20 5 CDBDRO CCN(Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000071313334 176119848 /nfs/dbraw/zinc/11/98/48/176119848.db2.gz LKMXLGKUSMVMHG-GFCCVEGCSA-N 1 0 267.304 1.918 20 5 CDBDRO CCCN(c1ncccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000071332479 176125749 /nfs/dbraw/zinc/12/57/49/176125749.db2.gz CSHRTGYGAKKLAH-SNVBAGLBSA-N 1 0 250.302 1.568 20 5 CDBDRO Cc1ccc(C(=O)N2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000071978913 176307872 /nfs/dbraw/zinc/30/78/72/176307872.db2.gz RBTSBWSMYGWEFV-SNVBAGLBSA-N 1 0 263.297 1.337 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)COC1CC[NH2+]CC1 ZINC000077252405 177239986 /nfs/dbraw/zinc/23/99/86/177239986.db2.gz WBIXOWABTYLVSC-UHFFFAOYSA-N 1 0 293.323 1.610 20 5 CDBDRO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000286724086 424628019 /nfs/dbraw/zinc/62/80/19/424628019.db2.gz JGXRNVHQKMWROJ-CPCISQLKSA-N 1 0 291.311 1.783 20 5 CDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000104673770 270235808 /nfs/dbraw/zinc/23/58/08/270235808.db2.gz DGJKMWWLUUAVEP-PLNGDYQASA-N 1 0 261.281 1.040 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000320865688 270329282 /nfs/dbraw/zinc/32/92/82/270329282.db2.gz NKLNUMXNNCLDFG-CGBBGSNDSA-N 1 0 277.324 1.850 20 5 CDBDRO CCOc1ccc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000516928194 270499338 /nfs/dbraw/zinc/49/93/38/270499338.db2.gz KUNROIFVBWHXFS-UWVGGRQHSA-N 1 0 295.339 1.849 20 5 CDBDRO C[NH+](C)C1CN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450412701 273793063 /nfs/dbraw/zinc/79/30/63/273793063.db2.gz QJMFXYRGPBWHGD-UHFFFAOYSA-N 1 0 272.308 1.893 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000235508349 274507625 /nfs/dbraw/zinc/50/76/25/274507625.db2.gz ZAGMXZSWXHIPQS-YUMQZZPRSA-N 1 0 270.720 1.817 20 5 CDBDRO Cc1nc(N2CCC[C@@H]2C[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000450455878 274840977 /nfs/dbraw/zinc/84/09/77/274840977.db2.gz OWAGLDYZYJFCQG-GFCCVEGCSA-N 1 0 291.355 1.758 20 5 CDBDRO Cc1nc(NC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000161509148 274844151 /nfs/dbraw/zinc/84/41/51/274844151.db2.gz DYHRKDVJEFXXEC-UHFFFAOYSA-N 1 0 250.302 1.804 20 5 CDBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000186396621 275592461 /nfs/dbraw/zinc/59/24/61/275592461.db2.gz KJGAKRDIWSECLE-KGLIPLIRSA-N 1 0 296.371 1.975 20 5 CDBDRO C[N@@H+]1CC[C@@]2(CCN(c3ncc([N+](=O)[O-])s3)C2)C1 ZINC000368299023 277161213 /nfs/dbraw/zinc/16/12/13/277161213.db2.gz LQTLYZXONBQYBL-LLVKDONJSA-N 1 0 268.342 1.583 20 5 CDBDRO CS[C@@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@@H]1[NH+](C)C ZINC000337027100 278157942 /nfs/dbraw/zinc/15/79/42/278157942.db2.gz WCZLUDDZXYWQEF-JGVFFNPUSA-N 1 0 288.398 1.533 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000167254697 278240154 /nfs/dbraw/zinc/24/01/54/278240154.db2.gz KIEPOCVNMIFFGV-VIFPVBQESA-N 1 0 292.339 1.842 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000179197634 278246292 /nfs/dbraw/zinc/24/62/92/278246292.db2.gz XAGLBXOAFPWYLA-VIFPVBQESA-N 1 0 283.353 1.493 20 5 CDBDRO C[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1[NH3+] ZINC000420272612 278445220 /nfs/dbraw/zinc/44/52/20/278445220.db2.gz IHBPMPMFUAAFMX-GZMMTYOYSA-N 1 0 289.295 1.428 20 5 CDBDRO COC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000090539341 279278729 /nfs/dbraw/zinc/27/87/29/279278729.db2.gz JOSAKPREGJLIGG-LLVKDONJSA-N 1 0 256.306 1.052 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+](CC1CC1)CC1CC1 ZINC000090554357 279279303 /nfs/dbraw/zinc/27/93/03/279279303.db2.gz GWADYPHKTRYGET-UHFFFAOYSA-N 1 0 291.351 1.879 20 5 CDBDRO C[C@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163648907 279707909 /nfs/dbraw/zinc/70/79/09/279707909.db2.gz UAHAHVGDUAZUKH-UWVGGRQHSA-N 1 0 295.314 1.791 20 5 CDBDRO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H](C[NH3+])C1 ZINC000261698067 279708073 /nfs/dbraw/zinc/70/80/73/279708073.db2.gz FJSKBEKVXALIMU-GXSJLCMTSA-N 1 0 292.339 1.376 20 5 CDBDRO C[C@H]1[C@@H](N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCC[N@@H+]1C ZINC000447684588 280102765 /nfs/dbraw/zinc/10/27/65/280102765.db2.gz BTOPQCNJLSSIRE-ONGXEEELSA-N 1 0 289.339 1.788 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@]3(CC[N@@H+](C)C3)C2)n1 ZINC000292459396 281014101 /nfs/dbraw/zinc/01/41/01/281014101.db2.gz ZWXCDUPYSCBYQC-AWEZNQCLSA-N 1 0 276.340 1.830 20 5 CDBDRO C[C@@H](O)[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000567727311 293854003 /nfs/dbraw/zinc/85/40/03/293854003.db2.gz KEUZFAHGVBCRPB-VHSXEESVSA-N 1 0 277.324 1.978 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000567925265 293908229 /nfs/dbraw/zinc/90/82/29/293908229.db2.gz HVFHUCGMSPIBTF-ZJUUUORDSA-N 1 0 280.328 1.249 20 5 CDBDRO C[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000568770763 294100009 /nfs/dbraw/zinc/10/00/09/294100009.db2.gz PKBDQZNLBFCOIN-NXEZZACHSA-N 1 0 295.343 1.311 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000569017838 294143784 /nfs/dbraw/zinc/14/37/84/294143784.db2.gz RZBMAWAXNYAFGF-NEPJUHHUSA-N 1 0 279.340 1.785 20 5 CDBDRO CNc1ccc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000569224468 294177468 /nfs/dbraw/zinc/17/74/68/294177468.db2.gz GQMDDNXSVWBRKP-BDAKNGLRSA-N 1 0 280.328 1.492 20 5 CDBDRO COc1ccc(CC(=O)NCCCC[NH3+])cc1[N+](=O)[O-] ZINC000570514395 294253275 /nfs/dbraw/zinc/25/32/75/294253275.db2.gz KRXVWQFRTGBQGS-UHFFFAOYSA-N 1 0 281.312 1.001 20 5 CDBDRO CC(=O)N1CC([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000570862516 294324998 /nfs/dbraw/zinc/32/49/98/294324998.db2.gz HQPGZXHQZYZKBG-LLVKDONJSA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@H](C[C@H](C)O)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000572404374 294617220 /nfs/dbraw/zinc/61/72/20/294617220.db2.gz ILVFOSIKVJGDLG-MDZLAQPJSA-N 1 0 298.339 1.084 20 5 CDBDRO C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000036932635 298646603 /nfs/dbraw/zinc/64/66/03/298646603.db2.gz MGZMLKUGHUUQJC-CHWSQXEVSA-N 1 0 293.367 1.966 20 5 CDBDRO Nc1c(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000435247512 303491629 /nfs/dbraw/zinc/49/16/29/303491629.db2.gz XAXVIWUUTKJKBI-JTQLQIEISA-N 1 0 290.323 1.144 20 5 CDBDRO CNC(=O)C(C)(C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566474368 316608000 /nfs/dbraw/zinc/60/80/00/316608000.db2.gz HAPWBHBWHIZPJE-LBPRGKRZSA-N 1 0 291.351 1.944 20 5 CDBDRO Cc1c(CC(=O)N[C@@H](C)C[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000576228829 317100889 /nfs/dbraw/zinc/10/08/89/317100889.db2.gz DQWBYGMJEGNDDW-ZJUUUORDSA-N 1 0 279.340 1.688 20 5 CDBDRO CC(C)(C)[NH2+][C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000576475899 317146125 /nfs/dbraw/zinc/14/61/25/317146125.db2.gz PKRMRIPRKWFVRO-NSHDSACASA-N 1 0 291.307 1.615 20 5 CDBDRO COC[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000382571273 323649032 /nfs/dbraw/zinc/64/90/32/323649032.db2.gz QMAWKSGXPZXCLG-GFCCVEGCSA-N 1 0 288.731 1.735 20 5 CDBDRO CC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000382775087 323651394 /nfs/dbraw/zinc/65/13/94/323651394.db2.gz OAKCJPIALZSLBE-ZIAGYGMSSA-N 1 0 296.371 1.711 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000389844582 323812271 /nfs/dbraw/zinc/81/22/71/323812271.db2.gz PTGOWWRITPRKPG-GGCNOCFKSA-N 1 0 289.335 1.722 20 5 CDBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC[C@@H]1CCNC1=O ZINC000579137401 324117427 /nfs/dbraw/zinc/11/74/27/324117427.db2.gz BDYLIKCILYUNEJ-ZDUSSCGKSA-N 1 0 291.351 1.595 20 5 CDBDRO O=C1NCC[C@@]12CCC[N@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000579850435 324301134 /nfs/dbraw/zinc/30/11/34/324301134.db2.gz XHWHATCQFQSACW-HNNXBMFYSA-N 1 0 289.335 1.492 20 5 CDBDRO COC(=O)c1cccc(OCC[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000583258250 325137996 /nfs/dbraw/zinc/13/79/96/325137996.db2.gz PGYTZSRNTDQLSQ-JTQLQIEISA-N 1 0 294.307 1.760 20 5 CDBDRO C[C@H](NC(=O)N(C)CCC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000583554796 325197084 /nfs/dbraw/zinc/19/70/84/325197084.db2.gz VKWPQRDJKHQRFR-JTQLQIEISA-N 1 0 280.328 1.646 20 5 CDBDRO COc1cc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)ccc1O ZINC001168967397 1161996231 /nfs/dbraw/zinc/99/62/31/1161996231.db2.gz PPCQZKSRJOEANX-RYUDHWBXSA-N 1 0 280.324 1.936 20 5 CDBDRO C[NH2+]CC1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000226780045 521976271 /nfs/dbraw/zinc/97/62/71/521976271.db2.gz BLKNVGLVBMVUGD-UHFFFAOYSA-N 1 0 256.331 1.487 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000148826914 522072875 /nfs/dbraw/zinc/07/28/75/522072875.db2.gz FUTVRJXFFNGHEB-VIFPVBQESA-N 1 0 265.313 1.489 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000067044963 522094555 /nfs/dbraw/zinc/09/45/55/522094555.db2.gz SIJPQXBEWOKSBE-NSHDSACASA-N 1 0 295.314 1.900 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000111303938 522641972 /nfs/dbraw/zinc/64/19/72/522641972.db2.gz BSUHLGDFGJOQDY-MRVPVSSYSA-N 1 0 252.274 1.454 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CC[NH+](C)C ZINC000050788222 522646353 /nfs/dbraw/zinc/64/63/53/522646353.db2.gz XFGNVSJDGPOYCK-SNVBAGLBSA-N 1 0 294.355 1.707 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000417760896 534709465 /nfs/dbraw/zinc/70/94/65/534709465.db2.gz GMVPQOZWLNWGGH-GFCCVEGCSA-N 1 0 292.339 1.270 20 5 CDBDRO C[NH+]1CCC(NC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000067725079 523773798 /nfs/dbraw/zinc/77/37/98/523773798.db2.gz RZRJJFJKSLHPNN-UHFFFAOYSA-N 1 0 292.339 1.488 20 5 CDBDRO CO[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000226409677 523997536 /nfs/dbraw/zinc/99/75/36/523997536.db2.gz RFUTWQHUEVRXCS-KGLIPLIRSA-N 1 0 279.340 1.533 20 5 CDBDRO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C[NH+](C)C ZINC000341232777 524457102 /nfs/dbraw/zinc/45/71/02/524457102.db2.gz YVVLHIGBAYPRRO-SECBINFHSA-N 1 0 283.303 1.661 20 5 CDBDRO Cc1ccc(C[NH2+]CC(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000069832773 524572321 /nfs/dbraw/zinc/57/23/21/524572321.db2.gz GECGLFWZZBFYRM-UHFFFAOYSA-N 1 0 279.340 1.908 20 5 CDBDRO COc1ccc(NC(=O)[C@@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000157077056 524585542 /nfs/dbraw/zinc/58/55/42/524585542.db2.gz PVBTXPYSWIHZHR-YUMQZZPRSA-N 1 0 267.285 1.525 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH3+] ZINC000235354317 524868704 /nfs/dbraw/zinc/86/87/04/524868704.db2.gz PIPCPFUSFVMAIL-RDDDGLTNSA-N 1 0 267.260 1.153 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000234885150 525460991 /nfs/dbraw/zinc/46/09/91/525460991.db2.gz IVAHNQKAEHUPCM-CABZTGNLSA-N 1 0 265.313 1.382 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[N@@H+](C)C1 ZINC000052812384 525576564 /nfs/dbraw/zinc/57/65/64/525576564.db2.gz HRVJDBZPJOVGDW-JTQLQIEISA-N 1 0 250.302 1.662 20 5 CDBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000070169849 527194592 /nfs/dbraw/zinc/19/45/92/527194592.db2.gz LPVXODYHVDMJEX-LLVKDONJSA-N 1 0 277.324 1.796 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000226781325 527209810 /nfs/dbraw/zinc/20/98/10/527209810.db2.gz YAZDNHQLBTTXEL-YUMQZZPRSA-N 1 0 256.331 1.981 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCC[NH+]1CCCC1 ZINC000052851753 527294667 /nfs/dbraw/zinc/29/46/67/527294667.db2.gz HLJSPHHGCBNHDA-UHFFFAOYSA-N 1 0 277.324 1.349 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000070170033 527328232 /nfs/dbraw/zinc/32/82/32/527328232.db2.gz MGSOMRCDVHLUAP-JTQLQIEISA-N 1 0 280.328 1.134 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](c3ccco3)C2)n1 ZINC000365832214 527406832 /nfs/dbraw/zinc/40/68/32/527406832.db2.gz BXEHOKKEXKDHLO-NSHDSACASA-N 1 0 276.296 1.874 20 5 CDBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000283953825 527823579 /nfs/dbraw/zinc/82/35/79/527823579.db2.gz YLQGMBXEOADSLS-NSHDSACASA-N 1 0 278.356 1.955 20 5 CDBDRO CC(C)C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000173573531 527943151 /nfs/dbraw/zinc/94/31/51/527943151.db2.gz QIOGGGUGUFMURM-ZDUSSCGKSA-N 1 0 284.360 1.519 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261809621 536143778 /nfs/dbraw/zinc/14/37/78/536143778.db2.gz SGNLLIKPTUOOBB-CYBMUJFWSA-N 1 0 279.344 1.309 20 5 CDBDRO C[N@H+](CCCCNc1ncc([N+](=O)[O-])s1)C1CC1 ZINC000413351108 536334582 /nfs/dbraw/zinc/33/45/82/536334582.db2.gz YSTAXJHZIVZCCP-UHFFFAOYSA-N 1 0 270.358 1.760 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261590362 536398182 /nfs/dbraw/zinc/39/81/82/536398182.db2.gz WYFWGDZWMXKCGX-MRVPVSSYSA-N 1 0 252.274 1.324 20 5 CDBDRO COC[C@]1(CNc2ccc([N+](=O)[O-])nc2)CCC[NH2+]1 ZINC000261576412 536688381 /nfs/dbraw/zinc/68/83/81/536688381.db2.gz CBXZSQAXEXVSSZ-GFCCVEGCSA-N 1 0 266.301 1.170 20 5 CDBDRO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000761080662 576544708 /nfs/dbraw/zinc/54/47/08/576544708.db2.gz VCQDYLNMKLOCOV-GFCCVEGCSA-N 1 0 279.340 1.610 20 5 CDBDRO Cc1ccc(C(=O)NOC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000773548390 575823383 /nfs/dbraw/zinc/82/33/83/575823383.db2.gz WYYLMTUHZNROFW-UHFFFAOYSA-N 1 0 293.323 1.659 20 5 CDBDRO C[C@@H]1CCC[N@@H+]1CCNc1cccnc1[N+](=O)[O-] ZINC000742425961 576602651 /nfs/dbraw/zinc/60/26/51/576602651.db2.gz RKXBRDALRFRZSQ-SNVBAGLBSA-N 1 0 250.302 1.886 20 5 CDBDRO C[C@H](C(=O)N1CCN(C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000761954271 576608593 /nfs/dbraw/zinc/60/85/93/576608593.db2.gz LIRAKKMNLHKPBS-NEPJUHHUSA-N 1 0 291.351 1.861 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](CCO)C1CC1 ZINC000763060492 576705947 /nfs/dbraw/zinc/70/59/47/576705947.db2.gz UZOYHDVHPLUHQS-GFCCVEGCSA-N 1 0 280.324 1.724 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](CCO)C1CC1 ZINC000763064273 576706915 /nfs/dbraw/zinc/70/69/15/576706915.db2.gz IFGCUWBCAOTYPC-GFCCVEGCSA-N 1 0 268.288 1.985 20 5 CDBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000746382886 576774158 /nfs/dbraw/zinc/77/41/58/576774158.db2.gz OZLWERQAYLAWRD-ZDUSSCGKSA-N 1 0 293.371 1.413 20 5 CDBDRO COC[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749650090 576956810 /nfs/dbraw/zinc/95/68/10/576956810.db2.gz ZHBBJUZVTHFMLS-JOYOIKCWSA-N 1 0 254.286 1.253 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCCOC2)c1 ZINC000749689235 576958122 /nfs/dbraw/zinc/95/81/22/576958122.db2.gz NMAXLSOFDABEAZ-FZMZJTMJSA-N 1 0 280.324 1.644 20 5 CDBDRO CC(C)(C)C[N@H+](CCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750068387 576974858 /nfs/dbraw/zinc/97/48/58/576974858.db2.gz VKEDPKZBNHAKLG-AWEZNQCLSA-N 1 0 296.367 1.969 20 5 CDBDRO C[N@@H+](Cc1cn[nH]c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750108809 576976335 /nfs/dbraw/zinc/97/63/35/576976335.db2.gz WMHKHBNLANHSCP-ZDUSSCGKSA-N 1 0 276.296 1.483 20 5 CDBDRO CCN(CC)C(=O)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000134598348 617256916 /nfs/dbraw/zinc/25/69/16/617256916.db2.gz PZLXPRUDCYAWKG-UHFFFAOYSA-N 1 0 295.339 1.561 20 5 CDBDRO COc1c(O)ccc(C[NH2+]CCN2CCC2)c1[N+](=O)[O-] ZINC000893179411 617443246 /nfs/dbraw/zinc/44/32/46/617443246.db2.gz QNNZMAUVVUBQJI-UHFFFAOYSA-N 1 0 281.312 1.104 20 5 CDBDRO CC(C)C[C@@H](CNc1c([N+](=O)[O-])cnn1C)[NH+](C)C ZINC000891680804 617535872 /nfs/dbraw/zinc/53/58/72/617535872.db2.gz LUKCOWDJTUQAAY-JTQLQIEISA-N 1 0 269.349 1.717 20 5 CDBDRO C[C@@H]1C[C@@H](Nc2c([N+](=O)[O-])cnn2C)CC[N@@H+]1C ZINC000892674490 617580929 /nfs/dbraw/zinc/58/09/29/617580929.db2.gz WBWBOKZSYOUOPH-BDAKNGLRSA-N 1 0 253.306 1.223 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000892748756 617696242 /nfs/dbraw/zinc/69/62/42/617696242.db2.gz GCKNDZVSIVGCLA-MNOVXSKESA-N 1 0 292.339 1.671 20 5 CDBDRO C[C@]1(NC(=O)c2ccccc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC000892799095 617765855 /nfs/dbraw/zinc/76/58/55/617765855.db2.gz ILZICPCOQYSAJA-HNNXBMFYSA-N 1 0 289.335 1.809 20 5 CDBDRO CN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000036283662 617988136 /nfs/dbraw/zinc/98/81/36/617988136.db2.gz XJLBSAODJCJLMH-UHFFFAOYSA-N 1 0 278.312 1.811 20 5 CDBDRO COc1c(O)ccc(C[NH2+]CC(C)(C)OC)c1[N+](=O)[O-] ZINC000893085021 618147632 /nfs/dbraw/zinc/14/76/32/618147632.db2.gz DZNZKGUUAPFJBS-UHFFFAOYSA-N 1 0 284.312 1.824 20 5 CDBDRO C[N@@H+]1C[C@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2C1 ZINC000893937853 618198691 /nfs/dbraw/zinc/19/86/91/618198691.db2.gz AYNCUYBVEDYLPM-RNCFNFMXSA-N 1 0 287.323 1.611 20 5 CDBDRO COC[C@H](C)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892444695 618208580 /nfs/dbraw/zinc/20/85/80/618208580.db2.gz UMTNIQLKRJCREM-QMMMGPOBSA-N 1 0 270.285 1.434 20 5 CDBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1N)C(C)C ZINC000786972333 618367837 /nfs/dbraw/zinc/36/78/37/618367837.db2.gz CGPIDOXIAUVDBH-UHFFFAOYSA-N 1 0 294.355 1.637 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)NC1C[NH2+]C1 ZINC000841102408 618683153 /nfs/dbraw/zinc/68/31/53/618683153.db2.gz BTADIJZZERDCDQ-UHFFFAOYSA-N 1 0 270.676 1.342 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000843307205 618703538 /nfs/dbraw/zinc/70/35/38/618703538.db2.gz DEMVVZQHLLSETB-UHFFFAOYSA-N 1 0 294.355 1.390 20 5 CDBDRO Cc1cc(N2CCC(O)(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000894954584 619163528 /nfs/dbraw/zinc/16/35/28/619163528.db2.gz MUGFRIKKBHDLGD-UHFFFAOYSA-N 1 0 293.367 1.796 20 5 CDBDRO C[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000928559256 619377758 /nfs/dbraw/zinc/37/77/58/619377758.db2.gz WORDDHSBHLVUGJ-VIFPVBQESA-N 1 0 288.307 1.510 20 5 CDBDRO CC1(C)CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000148052166 620235302 /nfs/dbraw/zinc/23/53/02/620235302.db2.gz YQRWNESETBAJQB-UHFFFAOYSA-N 1 0 281.287 1.558 20 5 CDBDRO CC[C@@H](C[NH2+]CC[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000899869184 622495161 /nfs/dbraw/zinc/49/51/61/622495161.db2.gz BOTVVOWOXZOIDG-HNNXBMFYSA-N 1 0 277.368 1.690 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCS(=O)CC2)cc1 ZINC000042353668 623260581 /nfs/dbraw/zinc/26/05/81/623260581.db2.gz AVALVKUPPNQXLD-UHFFFAOYSA-N 1 0 268.338 1.596 20 5 CDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000902933271 625658548 /nfs/dbraw/zinc/65/85/48/625658548.db2.gz IYOJJKXGZRYHNG-LLVKDONJSA-N 1 0 264.285 1.420 20 5 CDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000902935636 625663262 /nfs/dbraw/zinc/66/32/62/625663262.db2.gz YXLJFFLTLDRFOL-LLVKDONJSA-N 1 0 264.285 1.420 20 5 CDBDRO C[C@@H](C[NH2+]CC[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000905103941 626621072 /nfs/dbraw/zinc/62/10/72/626621072.db2.gz BPXCNCJVQLYEOU-LBPRGKRZSA-N 1 0 251.330 1.373 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000905230424 626685051 /nfs/dbraw/zinc/68/50/51/626685051.db2.gz LTGCBHNWWIDDOR-UHFFFAOYSA-N 1 0 269.267 1.127 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000905263470 626712447 /nfs/dbraw/zinc/71/24/47/626712447.db2.gz QEHYXSQQWQNOTB-SNVBAGLBSA-N 1 0 253.277 1.271 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]C1 ZINC000911698213 629422615 /nfs/dbraw/zinc/42/26/15/629422615.db2.gz HDFZLCUWLAYNFV-QMMMGPOBSA-N 1 0 281.337 1.408 20 5 CDBDRO CCN(CCC(=O)OC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000151982920 630835550 /nfs/dbraw/zinc/83/55/50/630835550.db2.gz SMUGALWWZROYSP-UHFFFAOYSA-N 1 0 284.316 1.251 20 5 CDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000915622755 631779087 /nfs/dbraw/zinc/77/90/87/631779087.db2.gz CPJHJAVRCSXJLK-SNVBAGLBSA-N 1 0 282.344 1.249 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCNC2=O)c([N+](=O)[O-])c1 ZINC001170299148 1162328781 /nfs/dbraw/zinc/32/87/81/1162328781.db2.gz RCPAPLFMLRSANA-JOYOIKCWSA-N 1 0 293.323 1.013 20 5 CDBDRO COc1ccc(C[C@H](C)[N@H+]2C[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170336564 1162339170 /nfs/dbraw/zinc/33/91/70/1162339170.db2.gz ZKNSPPVXKZEQEO-PGUXBMHVSA-N 1 0 294.351 1.847 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH+]2CC(CO)C2)c([N+](=O)[O-])c1 ZINC001170344419 1162348330 /nfs/dbraw/zinc/34/83/30/1162348330.db2.gz BWUPOXCLVQLSPM-SNVBAGLBSA-N 1 0 280.324 1.459 20 5 CDBDRO COc1cnc(N2CCC[C@@H]([NH3+])[C@@H]2C)c([N+](=O)[O-])c1 ZINC001157740219 1162370392 /nfs/dbraw/zinc/37/03/92/1162370392.db2.gz FVOMZOGXMLDQHR-WCBMZHEXSA-N 1 0 266.301 1.314 20 5 CDBDRO Cc1c(NCCN(C)CC[NH3+])cc(F)cc1[N+](=O)[O-] ZINC001170502127 1162663846 /nfs/dbraw/zinc/66/38/46/1162663846.db2.gz NEDWOEJPYITNQR-UHFFFAOYSA-N 1 0 270.308 1.345 20 5 CDBDRO CCc1nn(C)c(NCC[N@@H+]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000807988898 1162795558 /nfs/dbraw/zinc/79/55/58/1162795558.db2.gz WRODIAWVJPAUAK-SNVBAGLBSA-N 1 0 281.360 1.787 20 5 CDBDRO [NH3+]Cc1nnnn1-c1cc2cccnc2c2ncccc12 ZINC001168923585 1161993400 /nfs/dbraw/zinc/99/34/00/1161993400.db2.gz AWGWKBZNXWPIQJ-UHFFFAOYSA-N 1 0 277.291 1.217 20 5 CDBDRO CCC[N@H+]1C[C@H]2CN(c3cc([N+](=O)[O-])ccn3)C[C@H]2C1 ZINC001157689382 1162283890 /nfs/dbraw/zinc/28/38/90/1162283890.db2.gz MZURCRYMXQDSAY-TXEJJXNPSA-N 1 0 276.340 1.768 20 5 CDBDRO C[C@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)C[NH+](C)C ZINC000865824517 1164697465 /nfs/dbraw/zinc/69/74/65/1164697465.db2.gz XJTWVWXEMLMHTC-SECBINFHSA-N 1 0 285.319 1.836 20 5 CDBDRO C[NH2+]C(C)(C)CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001609289796 1164882984 /nfs/dbraw/zinc/88/29/84/1164882984.db2.gz UDYAYWMBJMABCH-UHFFFAOYSA-N 1 0 291.315 1.185 20 5 CDBDRO Nc1nc(N2C[C@H]([NH3+])Cc3ccccc32)ccc1[N+](=O)[O-] ZINC001155300962 1167121075 /nfs/dbraw/zinc/12/10/75/1167121075.db2.gz YQFHDLZUTOSMMR-SNVBAGLBSA-N 1 0 285.307 1.594 20 5 CDBDRO Cc1nc(N2C[C@@H]([NH3+])Cc3ccccc32)ncc1[N+](=O)[O-] ZINC001155307425 1167123050 /nfs/dbraw/zinc/12/30/50/1167123050.db2.gz VJVGHZSHVQDNCQ-NSHDSACASA-N 1 0 285.307 1.715 20 5 CDBDRO [NH3+][C@H]1COC[C@H]1Nc1ccc2ccc3cccnc3c2n1 ZINC001155345674 1167136106 /nfs/dbraw/zinc/13/61/06/1167136106.db2.gz JOGXMGIZULSYSN-QWHCGFSZSA-N 1 0 280.331 1.921 20 5 CDBDRO Cc1ccnc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001155621535 1167264579 /nfs/dbraw/zinc/26/45/79/1167264579.db2.gz WVBZAALMNTWDGT-RISCZKNCSA-N 1 0 292.339 1.621 20 5 CDBDRO CC(C)(C[NH3+])CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001575315143 1171150142 /nfs/dbraw/zinc/15/01/42/1171150142.db2.gz JLHWNAWSNOLBHB-UHFFFAOYSA-N 1 0 266.301 1.491 20 5 CDBDRO CN(C[C@H]1CC[NH2+]1)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001578457875 1171921962 /nfs/dbraw/zinc/92/19/62/1171921962.db2.gz ZZVMYVPYFXTSIG-MRVPVSSYSA-N 1 0 298.730 1.264 20 5 CDBDRO COCC[C@H]([NH3+])CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001579004175 1172078373 /nfs/dbraw/zinc/07/83/73/1172078373.db2.gz RHDJUCYBCDEEGA-PWSUYJOCSA-N 1 0 267.329 1.609 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc([N+](=O)[O-])c1 ZINC001579564332 1172213227 /nfs/dbraw/zinc/21/32/27/1172213227.db2.gz YVEKPAIOGZNMMA-ITGUQSILSA-N 1 0 275.308 1.098 20 5 CDBDRO O=C(N[C@@H]1CC[NH2+]C[C@@H]1F)c1cc([N+](=O)[O-])ccc1F ZINC001580616876 1172485867 /nfs/dbraw/zinc/48/58/67/1172485867.db2.gz NISDFBLHEYJMIM-WDEREUQCSA-N 1 0 285.250 1.164 20 5 CDBDRO O=[N+]([O-])c1cnccc1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001580876419 1172558930 /nfs/dbraw/zinc/55/89/30/1172558930.db2.gz LZLFZPWGVHZOIY-CHWSQXEVSA-N 1 0 262.313 1.356 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1N1CC[NH+](C2CCCC2)CC1 ZINC001165032596 721859389 /nfs/dbraw/zinc/85/93/89/721859389.db2.gz SHEYDJPYHCEQIK-UHFFFAOYSA-N 1 0 291.355 1.637 20 5 CDBDRO Cc1cc(NC2CCC([NH3+])CC2)ncc1[N+](=O)[O-] ZINC000092026666 730422717 /nfs/dbraw/zinc/42/27/17/730422717.db2.gz UTOYWPIXOSZABN-UHFFFAOYSA-N 1 0 250.302 1.980 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2C[C@H]3C[C@@]3(CO)C2)cc1 ZINC000782617019 730443107 /nfs/dbraw/zinc/44/31/07/730443107.db2.gz KJAQMDNNJHLSCO-DOMZBBRYSA-N 1 0 292.335 1.678 20 5 CDBDRO CC(C)(CCc1noc([C@@]2(F)CC[NH2+]C2)n1)[N+](=O)[O-] ZINC000843232738 730451757 /nfs/dbraw/zinc/45/17/57/730451757.db2.gz BCNXCWIIKGDWEN-LLVKDONJSA-N 1 0 272.280 1.216 20 5 CDBDRO C[NH2+]C[C@@H](C)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000853248168 730455103 /nfs/dbraw/zinc/45/51/03/730455103.db2.gz CHCWGGKQNLCQPI-MRVPVSSYSA-N 1 0 257.721 1.946 20 5 CDBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H]2CNCCOC2)cc1 ZINC000925569945 730463238 /nfs/dbraw/zinc/46/32/38/730463238.db2.gz BPVVKPAWQMAQRN-AWEZNQCLSA-N 1 0 293.367 1.496 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](CO)CC2CCC2)c1 ZINC000843114629 730463453 /nfs/dbraw/zinc/46/34/53/730463453.db2.gz BAUXZNQOIPGCBS-UKRRQHHQSA-N 1 0 294.351 1.769 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CC[C@@H](O)C2)cc1 ZINC000227686211 730472483 /nfs/dbraw/zinc/47/24/83/730472483.db2.gz NQDGBXHDFTWEQM-LERXQTSPSA-N 1 0 280.324 1.379 20 5 CDBDRO C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000868008853 730519256 /nfs/dbraw/zinc/51/92/56/730519256.db2.gz YACBKHKOCHIZNL-NSHDSACASA-N 1 0 291.351 1.642 20 5 CDBDRO C[NH2+]C[C@H](C)c1noc(-c2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000842577308 730521274 /nfs/dbraw/zinc/52/12/74/730521274.db2.gz NMULMQYAALLLFW-QMMMGPOBSA-N 1 0 292.295 1.976 20 5 CDBDRO CC[N@H+](C)C[C@@H](O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000311921988 730526296 /nfs/dbraw/zinc/52/62/96/730526296.db2.gz GTPYRMNSSVICLJ-SNVBAGLBSA-N 1 0 272.276 1.425 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN(C)CC(N)=O ZINC000876566931 730531735 /nfs/dbraw/zinc/53/17/35/730531735.db2.gz XTRKUWHGRXYWMB-UHFFFAOYSA-N 1 0 251.286 1.129 20 5 CDBDRO C[C@H](O)[C@@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930635844 730558928 /nfs/dbraw/zinc/55/89/28/730558928.db2.gz AKILRWAUEKROHG-WHOFXGATSA-N 1 0 294.351 1.516 20 5 CDBDRO COc1ccc(C(=O)N(C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000311867915 730713961 /nfs/dbraw/zinc/71/39/61/730713961.db2.gz YSTPUJYLAZNHLH-QMMMGPOBSA-N 1 0 267.285 1.023 20 5 CDBDRO CC(C)[C@H](CO)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843081102 730778256 /nfs/dbraw/zinc/77/82/56/730778256.db2.gz PCVDBRYNLBEVHF-GXTWGEPZSA-N 1 0 282.340 1.482 20 5 CDBDRO Nc1ccc(-c2noc([C@H]3C[C@H]3[NH3+])n2)cc1[N+](=O)[O-] ZINC000822640216 730856250 /nfs/dbraw/zinc/85/62/50/730856250.db2.gz OKMYEXBKJKOORV-POYBYMJQSA-N 1 0 261.241 1.042 20 5 CDBDRO CCN(CC)C(=[NH2+])NCCOc1ccc([N+](=O)[O-])cc1 ZINC000849007313 730897490 /nfs/dbraw/zinc/89/74/90/730897490.db2.gz JKOFJKBYYJDHGR-UHFFFAOYSA-N 1 0 280.328 1.840 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000168683817 730940951 /nfs/dbraw/zinc/94/09/51/730940951.db2.gz WNFWAXBCIMAPHM-QMMMGPOBSA-N 1 0 269.276 1.414 20 5 CDBDRO C[NH2+]C[C@H](C)c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000843238030 730957624 /nfs/dbraw/zinc/95/76/24/730957624.db2.gz KGVKKIYERMLQCR-LURJTMIESA-N 1 0 252.230 1.561 20 5 CDBDRO COc1cc(Cc2noc([C@@H](C)C[NH3+])n2)ccc1[N+](=O)[O-] ZINC000822864061 730971821 /nfs/dbraw/zinc/97/18/21/730971821.db2.gz WXBMNJUJPUMWOX-QMMMGPOBSA-N 1 0 292.295 1.639 20 5 CDBDRO CC[C@H](O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000813885056 731033486 /nfs/dbraw/zinc/03/34/86/731033486.db2.gz PUEFVDNEANSFHX-HNNXBMFYSA-N 1 0 293.367 1.924 20 5 CDBDRO C[NH2+]C[C@@H](C)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000843234646 731041067 /nfs/dbraw/zinc/04/10/67/731041067.db2.gz WQSNETTZZWZUBO-MRVPVSSYSA-N 1 0 256.306 1.380 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[NH+]1CCC2(CC1)COCCO2 ZINC000886319525 731076717 /nfs/dbraw/zinc/07/67/17/731076717.db2.gz GZAUISBVUPFKJT-UHFFFAOYSA-N 1 0 293.323 1.371 20 5 CDBDRO C[NH+]1CCC(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000854496462 731084445 /nfs/dbraw/zinc/08/44/45/731084445.db2.gz GJUDWNDTVWMGHP-UHFFFAOYSA-N 1 0 278.312 1.457 20 5 CDBDRO [NH3+][C@H](CC(=O)NCCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000830591932 731287812 /nfs/dbraw/zinc/28/78/12/731287812.db2.gz NKEGSAUTZKGNQJ-GFCCVEGCSA-N 1 0 277.324 1.381 20 5 CDBDRO CC(C)C[C@H]1C[N@H+](C)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000933249478 731353317 /nfs/dbraw/zinc/35/33/17/731353317.db2.gz HBUBMNFZOPNCAW-ZDUSSCGKSA-N 1 0 295.387 1.453 20 5 CDBDRO [NH3+][C@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000700608942 731432343 /nfs/dbraw/zinc/43/23/43/731432343.db2.gz PWYSNWOOPKBOFB-SNVBAGLBSA-N 1 0 283.715 1.715 20 5 CDBDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CC[N+](=O)[O-])CC[C@H]21 ZINC000930553864 731457456 /nfs/dbraw/zinc/45/74/56/731457456.db2.gz YQKHXERLZQUOJP-VXGBXAGGSA-N 1 0 299.371 1.594 20 5 CDBDRO Cc1nn(CC[NH+]2CCCC2)c2ncc([N+](=O)[O-])cc12 ZINC000882132562 731610273 /nfs/dbraw/zinc/61/02/73/731610273.db2.gz HHUOISVLIAVLNB-UHFFFAOYSA-N 1 0 275.312 1.744 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000701920149 731639612 /nfs/dbraw/zinc/63/96/12/731639612.db2.gz ZECGHACEVUYYCV-ZETCQYMHSA-N 1 0 255.249 1.072 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000886839626 731639694 /nfs/dbraw/zinc/63/96/94/731639694.db2.gz IWDZZANPMBMRPL-TXEJJXNPSA-N 1 0 262.313 1.316 20 5 CDBDRO COc1ccc(C[NH2+]CCO[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000922939696 731656715 /nfs/dbraw/zinc/65/67/15/731656715.db2.gz RZRQLOLNGWIZPP-GFCCVEGCSA-N 1 0 296.323 1.499 20 5 CDBDRO C[NH+](C)CC(C)(C)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000837245937 731710974 /nfs/dbraw/zinc/71/09/74/731710974.db2.gz MBBIDQQTVHYHQU-LBPRGKRZSA-N 1 0 295.339 1.085 20 5 CDBDRO CN(CCCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000787020042 731715595 /nfs/dbraw/zinc/71/55/95/731715595.db2.gz NNPPCWCVRCTADZ-UHFFFAOYSA-N 1 0 294.355 1.591 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](C)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819323314 731887905 /nfs/dbraw/zinc/88/79/05/731887905.db2.gz ZJWUZPYRILPZLC-IUODEOHRSA-N 1 0 295.383 1.947 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[NH+](C)C ZINC000823615212 731935061 /nfs/dbraw/zinc/93/50/61/731935061.db2.gz FCZVFLXMWXFJHJ-VIFPVBQESA-N 1 0 297.380 1.997 20 5 CDBDRO C[NH2+]C[C@@H](C)c1noc(COc2cccc([N+](=O)[O-])c2)n1 ZINC000842576845 731996707 /nfs/dbraw/zinc/99/67/07/731996707.db2.gz OAQFETDYFZIAKN-SECBINFHSA-N 1 0 292.295 1.880 20 5 CDBDRO C[C@@H](CCO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815582962 732020651 /nfs/dbraw/zinc/02/06/51/732020651.db2.gz TYQMEDRGSYOBPB-IUCAKERBSA-N 1 0 253.302 1.599 20 5 CDBDRO CC[S@](=O)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848532131 732022044 /nfs/dbraw/zinc/02/20/44/732022044.db2.gz ZVLBZXCZAWVZFQ-BLVKFPJESA-N 1 0 282.365 1.940 20 5 CDBDRO CC1(C)CC[NH2+]CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886841868 732078010 /nfs/dbraw/zinc/07/80/10/732078010.db2.gz YWYZYDJEZUEQRO-UHFFFAOYSA-N 1 0 264.329 1.564 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000886841218 732084462 /nfs/dbraw/zinc/08/44/62/732084462.db2.gz FPCQCJGGNGHTGZ-DGCLKSJQSA-N 1 0 276.340 1.564 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000886027938 732148966 /nfs/dbraw/zinc/14/89/66/732148966.db2.gz KEXZKLRBHYGCSN-UHFFFAOYSA-N 1 0 277.324 1.992 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000839721477 732172935 /nfs/dbraw/zinc/17/29/35/732172935.db2.gz MPDJMXOUNJBVRQ-ZMJPVWNMSA-N 1 0 295.383 1.421 20 5 CDBDRO [NH3+]CCN(Cc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000886832769 732183493 /nfs/dbraw/zinc/18/34/93/732183493.db2.gz MNFMGDNWFISONQ-UHFFFAOYSA-N 1 0 286.335 1.951 20 5 CDBDRO CC1(C)CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[NH2+]1 ZINC000212279707 732205416 /nfs/dbraw/zinc/20/54/16/732205416.db2.gz MNVKTRWHCYRPDH-UHFFFAOYSA-N 1 0 280.284 1.691 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](C)[NH3+])c1C ZINC000884296293 732213772 /nfs/dbraw/zinc/21/37/72/732213772.db2.gz TYCROGSCJVZTIB-ZJUUUORDSA-N 1 0 265.313 1.677 20 5 CDBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000822793552 732216022 /nfs/dbraw/zinc/21/60/22/732216022.db2.gz ATMYQYFKBFQEGM-ZDUSSCGKSA-N 1 0 295.314 1.804 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]CCO[C@@H]2CCOC2)cs1 ZINC000922938841 732224876 /nfs/dbraw/zinc/22/48/76/732224876.db2.gz JCAVRRAZYYMNTF-SNVBAGLBSA-N 1 0 272.326 1.551 20 5 CDBDRO [NH3+]C1(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000230067264 732327290 /nfs/dbraw/zinc/32/72/90/732327290.db2.gz PBRFZLRCGYCNKM-UHFFFAOYSA-N 1 0 283.715 1.859 20 5 CDBDRO C[NH+](C)[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1CC1 ZINC000822628999 732387037 /nfs/dbraw/zinc/38/70/37/732387037.db2.gz DWYYRBVZZNUKAY-NSHDSACASA-N 1 0 271.361 1.278 20 5 CDBDRO C[NH2+]C[C@H](C)c1noc(-c2c([N+](=O)[O-])c(C)nn2C)n1 ZINC000842580085 732393044 /nfs/dbraw/zinc/39/30/44/732393044.db2.gz GLFAMCACINZBIU-LURJTMIESA-N 1 0 280.288 1.010 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000886833309 732393440 /nfs/dbraw/zinc/39/34/40/732393440.db2.gz WKNWYEIJJFYOLW-JSGCOSHPSA-N 1 0 290.367 1.954 20 5 CDBDRO CC[N@H+](CCC(=O)NC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000933860096 732522645 /nfs/dbraw/zinc/52/26/45/732522645.db2.gz KGEHTSPAFIGPAK-UHFFFAOYSA-N 1 0 295.339 1.561 20 5 CDBDRO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H](O)C1CC1 ZINC000776591233 732538997 /nfs/dbraw/zinc/53/89/97/732538997.db2.gz HUVOHKUZNDQVIW-KBPBESRZSA-N 1 0 280.324 1.331 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000070075832 732667659 /nfs/dbraw/zinc/66/76/59/732667659.db2.gz APGRIKIPUMGOPD-UWVGGRQHSA-N 1 0 263.297 1.417 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCSC2)cc1 ZINC000223282809 732672904 /nfs/dbraw/zinc/67/29/04/732672904.db2.gz WPAJEQFRQGIRPD-JQWIXIFHSA-N 1 0 268.338 1.723 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000834641696 732789962 /nfs/dbraw/zinc/78/99/62/732789962.db2.gz MKNXAWMECRJHOA-KOLCDFICSA-N 1 0 292.339 1.376 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2CCOCC2)c1 ZINC000818989664 732801251 /nfs/dbraw/zinc/80/12/51/732801251.db2.gz BPQBCAYCNZNBNN-AWEZNQCLSA-N 1 0 280.324 1.644 20 5 CDBDRO COCC[C@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000305958241 733039464 /nfs/dbraw/zinc/03/94/64/733039464.db2.gz WFIQDZLOVGKPRP-LLVKDONJSA-N 1 0 254.286 1.082 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CO)CCF ZINC000866384447 733064494 /nfs/dbraw/zinc/06/44/94/733064494.db2.gz LOECDILZPIOVJA-BXKDBHETSA-N 1 0 288.294 1.975 20 5 CDBDRO [NH3+]CC1(Cc2nc(-c3ccc([N+](=O)[O-])o3)no2)CC1 ZINC000823270909 733068924 /nfs/dbraw/zinc/06/89/24/733068924.db2.gz XVMLNROXXOLZGK-UHFFFAOYSA-N 1 0 264.241 1.519 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)C[NH3+] ZINC000876830724 1165923528 /nfs/dbraw/zinc/92/35/28/1165923528.db2.gz QMKJJKPACBUMLN-QMMMGPOBSA-N 1 0 251.286 1.289 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001577397248 1167675472 /nfs/dbraw/zinc/67/54/72/1167675472.db2.gz SIQOAQWADQWSDS-VIFPVBQESA-N 1 0 280.328 1.424 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCN(C)C)c1F ZINC001173175599 912279966 /nfs/dbraw/zinc/27/99/66/912279966.db2.gz PUYAYUSKCGDYBV-JTQLQIEISA-N 1 0 299.346 1.825 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@](F)(CO)C1 ZINC001173230706 912329137 /nfs/dbraw/zinc/32/91/37/912329137.db2.gz ZSKFNPKNYSWBTH-BXUZGUMPSA-N 1 0 282.315 1.932 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCn1ccnn1 ZINC001173208741 912330459 /nfs/dbraw/zinc/33/04/59/912330459.db2.gz BHXFAIGWOYQQLD-NSHDSACASA-N 1 0 275.312 1.407 20 5 CDBDRO CC(=O)c1ccc(O[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218279008 898587305 /nfs/dbraw/zinc/58/73/05/898587305.db2.gz MCBGIXSVIBJKOX-NSHDSACASA-N 1 0 264.281 1.928 20 5 CDBDRO C[NH2+][C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000053201775 899793243 /nfs/dbraw/zinc/79/32/43/899793243.db2.gz YCWPOQNAHOULLG-JTQLQIEISA-N 1 0 255.343 1.840 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1[nH]ccc(=O)c1[N+](=O)[O-] ZINC001225667623 903647321 /nfs/dbraw/zinc/64/73/21/903647321.db2.gz ULSXREUHUBBECL-MRVPVSSYSA-O 1 0 256.282 1.169 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000261904773 904007935 /nfs/dbraw/zinc/00/79/35/904007935.db2.gz XBRBNUGTMPVJGG-NXEZZACHSA-N 1 0 292.339 1.295 20 5 CDBDRO O=[N+]([O-])C[C@H](OCC[NH+]1CCCC1)c1cccnc1 ZINC001206308291 914854567 /nfs/dbraw/zinc/85/45/67/914854567.db2.gz ADWKPOCKXNEIGO-ZDUSSCGKSA-N 1 0 265.313 1.512 20 5 CDBDRO [NH3+]CCc1cn(-c2ncc([N+](=O)[O-])cn2)c2ccc(O)cc12 ZINC001167984976 904993172 /nfs/dbraw/zinc/99/31/72/904993172.db2.gz XWZSESSYYUILBK-UHFFFAOYSA-N 1 0 299.290 1.536 20 5 CDBDRO O=C(NCC[NH2+]CCCCC(F)(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936249 909930594 /nfs/dbraw/zinc/93/05/94/909930594.db2.gz CQIJRUIAXGHBAK-RKDXNWHRSA-N 1 0 297.277 1.090 20 5 CDBDRO CN(C)[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001120469765 911966876 /nfs/dbraw/zinc/96/68/76/911966876.db2.gz WOMQGBJNHQACBK-HUUCEWRRSA-N 1 0 293.367 1.558 20 5 CDBDRO CN1CC([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172897978 912032706 /nfs/dbraw/zinc/03/27/06/912032706.db2.gz FPXGZDMIOVXMPN-CYBMUJFWSA-N 1 0 275.352 1.746 20 5 CDBDRO CN(C)CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899319 912038816 /nfs/dbraw/zinc/03/88/16/912038816.db2.gz WMTRTQQFPCZUEM-AWEZNQCLSA-N 1 0 277.368 1.993 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1CC(O)C1)CC2 ZINC001172895661 912052978 /nfs/dbraw/zinc/05/29/78/912052978.db2.gz GYGQGQKFLGJMPB-DNOWBOINSA-N 1 0 276.336 1.955 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1nncc1C[NH3+] ZINC001254539700 936406354 /nfs/dbraw/zinc/40/63/54/936406354.db2.gz JTENJSWACMJQBV-VIFPVBQESA-N 1 0 261.285 1.449 20 5 CDBDRO CCOCCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001124696516 917573328 /nfs/dbraw/zinc/57/33/28/917573328.db2.gz MIOFQOLVYZPRKL-UHFFFAOYSA-N 1 0 295.339 1.227 20 5 CDBDRO CCC1(Nc2ccc(N(C)C)cc2[N+](=O)[O-])C[NH2+]C1 ZINC001168581932 919279543 /nfs/dbraw/zinc/27/95/43/919279543.db2.gz BCSPSBBDIFULBL-UHFFFAOYSA-N 1 0 264.329 1.825 20 5 CDBDRO CCC1(Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)C[NH2+]C1 ZINC001168582196 919283300 /nfs/dbraw/zinc/28/33/00/919283300.db2.gz KGSNEBIWYJHOQK-UHFFFAOYSA-N 1 0 279.296 1.545 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000841010632 936971161 /nfs/dbraw/zinc/97/11/61/936971161.db2.gz HNSGUHQUUOPIHH-SSDOTTSWSA-N 1 0 284.703 1.813 20 5 CDBDRO C[N@@H+]1CC[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000081589630 925393452 /nfs/dbraw/zinc/39/34/52/925393452.db2.gz IUEHPMPMJJFZOX-VIFPVBQESA-N 1 0 273.296 1.654 20 5 CDBDRO COCCCC[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000842171039 937036681 /nfs/dbraw/zinc/03/66/81/937036681.db2.gz HUFAKNFNQYXRTQ-AWEZNQCLSA-N 1 0 282.340 1.987 20 5 CDBDRO COC(=O)c1ccnc(N[C@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001154984506 926291440 /nfs/dbraw/zinc/29/14/40/926291440.db2.gz GEVTZKQKHMLCRW-BDAKNGLRSA-N 1 0 294.311 1.458 20 5 CDBDRO CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001086007941 926591618 /nfs/dbraw/zinc/59/16/18/926591618.db2.gz VXHKIQQUFCRFLL-BETUJISGSA-N 1 0 277.324 1.599 20 5 CDBDRO C[C@@]1(c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)CC[NH2+]C1 ZINC000843191542 937120651 /nfs/dbraw/zinc/12/06/51/937120651.db2.gz IOSPOGBRWHTEII-CYBMUJFWSA-N 1 0 289.295 1.215 20 5 CDBDRO [NH3+]CCc1cnn(-c2cc(F)cc(F)c2[N+](=O)[O-])c1 ZINC001168949127 927556756 /nfs/dbraw/zinc/55/67/56/927556756.db2.gz FVDOSVJMHATHGU-UHFFFAOYSA-N 1 0 268.223 1.560 20 5 CDBDRO Cc1nc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cs1 ZINC001168958875 927579203 /nfs/dbraw/zinc/57/92/03/927579203.db2.gz QTUVEVUXFGJZEW-UWVGGRQHSA-N 1 0 255.343 1.987 20 5 CDBDRO COc1ccnc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168969787 927591108 /nfs/dbraw/zinc/59/11/08/927591108.db2.gz FIONMVKQYCECEH-WDEREUQCSA-N 1 0 265.313 1.625 20 5 CDBDRO O=c1cc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc[nH]1 ZINC001168970395 927595016 /nfs/dbraw/zinc/59/50/16/927595016.db2.gz HABCMHVLHZXJQD-WDEREUQCSA-N 1 0 251.286 1.322 20 5 CDBDRO COC(=O)c1ccnc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168974421 927596586 /nfs/dbraw/zinc/59/65/86/927596586.db2.gz QGHDBUWKHAQWPQ-PWSUYJOCSA-N 1 0 293.323 1.403 20 5 CDBDRO COc1ncnc(OC)c1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168975278 927598635 /nfs/dbraw/zinc/59/86/35/927598635.db2.gz VVEHUGVSXUNKGI-ZJUUUORDSA-N 1 0 296.327 1.029 20 5 CDBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cncnc1 ZINC001168975684 927599151 /nfs/dbraw/zinc/59/91/51/927599151.db2.gz WRGHHNTULAAQQX-UMNHJUIQSA-N 1 0 250.302 1.573 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(CC3CC3)C2)C1 ZINC001168996580 927603102 /nfs/dbraw/zinc/60/31/02/927603102.db2.gz WHYYEUHEHSRWQM-RDBSUJKOSA-N 1 0 267.373 1.506 20 5 CDBDRO CO[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169006245 927609034 /nfs/dbraw/zinc/60/90/34/927609034.db2.gz WWLISIHMSXSGQB-LPWJVIDDSA-N 1 0 256.346 1.979 20 5 CDBDRO CO[C@H]1CCC[C@@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169006249 927609619 /nfs/dbraw/zinc/60/96/19/927609619.db2.gz WWLISIHMSXSGQB-RNJOBUHISA-N 1 0 256.346 1.979 20 5 CDBDRO CN1CCC[C@](C)([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169006766 927611864 /nfs/dbraw/zinc/61/18/64/927611864.db2.gz YVXWUZDVENAVCR-AVGNSLFASA-N 1 0 255.362 1.506 20 5 CDBDRO COC(=O)C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169011572 927617220 /nfs/dbraw/zinc/61/72/20/927617220.db2.gz LBIYHRIMPCTXKB-JQWIXIFHSA-N 1 0 270.329 1.317 20 5 CDBDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@]1(C)O ZINC001169010921 927617863 /nfs/dbraw/zinc/61/78/63/927617863.db2.gz GEAZCCMZVDQICX-XQHKEYJVSA-N 1 0 256.346 1.525 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)nc2)C1 ZINC001168988316 927624526 /nfs/dbraw/zinc/62/45/26/927624526.db2.gz QVIMKMNPAAOSRI-MWLCHTKSSA-N 1 0 253.277 1.756 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(CCF)CC2)C1 ZINC001169035984 927644325 /nfs/dbraw/zinc/64/43/25/927644325.db2.gz MKBNAMZRUVQFTQ-NWDGAFQWSA-N 1 0 259.325 1.019 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(n3ccnc3)CC2)C1 ZINC001169037108 927646612 /nfs/dbraw/zinc/64/66/12/927646612.db2.gz IYSBJBZEUVRDCM-TZMCWYRMSA-N 1 0 278.356 1.965 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCCCC23COC3)C1 ZINC001169037253 927646622 /nfs/dbraw/zinc/64/66/22/927646622.db2.gz RLWNXAVLEYRTJR-NEPJUHHUSA-N 1 0 254.330 1.687 20 5 CDBDRO CN(C)C[C@@H]1CCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037696 927647568 /nfs/dbraw/zinc/64/75/68/927647568.db2.gz SWITWOLAJCSDHV-AGIUHOORSA-N 1 0 255.362 1.458 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@]23CCOC3)C1 ZINC001169040040 927653859 /nfs/dbraw/zinc/65/38/59/927653859.db2.gz XEFYPJLVPKCIRC-JHJVBQTASA-N 1 0 254.330 1.687 20 5 CDBDRO CC(C)C[NH+]1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169019095 927659016 /nfs/dbraw/zinc/65/90/16/927659016.db2.gz GUKQVNGHWRKIOA-ZIAGYGMSSA-N 1 0 269.389 1.705 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C1 ZINC001169057495 927675506 /nfs/dbraw/zinc/67/55/06/927675506.db2.gz WATRSLXHYZEEAL-KBXIAJHMSA-N 1 0 299.390 1.940 20 5 CDBDRO COC(=O)[C@]1(C)CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169057966 927676145 /nfs/dbraw/zinc/67/61/45/927676145.db2.gz ZOMJOUBKCLKMCA-NTZNESFSSA-N 1 0 270.329 1.317 20 5 CDBDRO C[C@H]([NH3+])c1ccn(-c2c(Cl)cncc2[N+](=O)[O-])n1 ZINC001169232528 927844263 /nfs/dbraw/zinc/84/42/63/927844263.db2.gz GRMFZCQOQCMLSU-LURJTMIESA-N 1 0 267.676 1.849 20 5 CDBDRO C[C@@H](CCNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+](C)C ZINC000855417900 928411472 /nfs/dbraw/zinc/41/14/72/928411472.db2.gz RKESICRTDIHPBT-JTQLQIEISA-N 1 0 259.350 1.278 20 5 CDBDRO Cc1nc(Cl)nc(-n2ccc(CC[NH3+])n2)c1[N+](=O)[O-] ZINC001156898509 929047415 /nfs/dbraw/zinc/04/74/15/929047415.db2.gz OWTFIRGLAPENDR-UHFFFAOYSA-N 1 0 282.691 1.034 20 5 CDBDRO COc1ncnc(N2CC[C@H]([N@H+](C)C(C)C)C2)c1[N+](=O)[O-] ZINC001157009300 929103872 /nfs/dbraw/zinc/10/38/72/929103872.db2.gz GRWLIHPWQROOOV-JTQLQIEISA-N 1 0 295.343 1.312 20 5 CDBDRO COc1nc(N2CC[C@@H]([N@H+](C)C(C)C)C2)ccc1[N+](=O)[O-] ZINC001157010841 929104709 /nfs/dbraw/zinc/10/47/09/929104709.db2.gz UCCVRSIPDGTPDD-LLVKDONJSA-N 1 0 294.355 1.917 20 5 CDBDRO COc1cnc(N2C[C@H]3CCC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001157266480 929411949 /nfs/dbraw/zinc/41/19/49/929411949.db2.gz SXJNPVLVEUSCOF-MFKMUULPSA-N 1 0 292.339 1.529 20 5 CDBDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815582724 930056491 /nfs/dbraw/zinc/05/64/91/930056491.db2.gz NXBLTWRTWQXYPD-GXSJLCMTSA-N 1 0 299.396 1.942 20 5 CDBDRO CCN1CC[C@@H]1C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000883360728 930190309 /nfs/dbraw/zinc/19/03/09/930190309.db2.gz JKTWNPNNULIHNJ-LLVKDONJSA-N 1 0 295.339 1.493 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1cc([N+](=O)[O-])cc(F)c1C ZINC001170866688 930525508 /nfs/dbraw/zinc/52/55/08/930525508.db2.gz WLXLTFIGQFXESE-NSHDSACASA-N 1 0 257.265 1.512 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000884420424 930559976 /nfs/dbraw/zinc/55/99/76/930559976.db2.gz RUFSPDYWGDSFCY-VIFPVBQESA-N 1 0 265.313 1.549 20 5 CDBDRO C[C@@H]([NH3+])CCNc1cc2c(c([N+](=O)[O-])c1)NN(C)C2 ZINC001170895676 930688857 /nfs/dbraw/zinc/68/88/57/930688857.db2.gz WXIWIDUPAIMYQP-MRVPVSSYSA-N 1 0 265.317 1.516 20 5 CDBDRO C[NH+](C)CCONC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000820989825 930995260 /nfs/dbraw/zinc/99/52/60/930995260.db2.gz BUWITVRYOLMBBF-STQMWFEESA-N 1 0 293.323 1.308 20 5 CDBDRO C[NH2+][C@@H](C)CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC001118122176 937593889 /nfs/dbraw/zinc/59/38/89/937593889.db2.gz QNALOOSHLXFLOE-VHSXEESVSA-N 1 0 266.345 1.826 20 5 CDBDRO [NH3+]Cc1cn(-c2ncnc3cccc([N+](=O)[O-])c32)cn1 ZINC001154910640 937603511 /nfs/dbraw/zinc/60/35/11/937603511.db2.gz LBEGZUHDUZVSCL-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO CCOc1cnc(NC[C@@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001171329510 932694757 /nfs/dbraw/zinc/69/47/57/932694757.db2.gz YBJXZDHYNYWNMT-JTQLQIEISA-N 1 0 280.328 1.943 20 5 CDBDRO C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000928247341 933129524 /nfs/dbraw/zinc/12/95/24/933129524.db2.gz SNDUYKGLZQJIFW-ZWNOBZJWSA-N 1 0 277.324 1.866 20 5 CDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H](C)C[NH+](C)C ZINC001155915541 937688377 /nfs/dbraw/zinc/68/83/77/937688377.db2.gz IIBWNIRFLFGBSZ-VIFPVBQESA-N 1 0 296.327 1.529 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001155915465 937688745 /nfs/dbraw/zinc/68/87/45/937688745.db2.gz GOUYUOCAYAZXFU-ZETCQYMHSA-N 1 0 274.708 1.244 20 5 CDBDRO CO[C@@H](C)C[N@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000795750743 934930481 /nfs/dbraw/zinc/93/04/81/934930481.db2.gz MWPMGUHSBNSROD-JTQLQIEISA-N 1 0 278.312 1.869 20 5 CDBDRO CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001048606690 936058980 /nfs/dbraw/zinc/05/89/80/936058980.db2.gz CMRSACPMMMZVHS-AAVRWANBSA-N 1 0 297.399 1.572 20 5 CDBDRO CN(CC[NH3+])C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001121991336 937897073 /nfs/dbraw/zinc/89/70/73/937897073.db2.gz YMSNQYWQQZXIBH-RYUDHWBXSA-N 1 0 263.297 1.115 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@H]2C[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001122489448 937936657 /nfs/dbraw/zinc/93/66/57/937936657.db2.gz GZTASJWRVJEZQY-KYZUINATSA-N 1 0 267.260 1.262 20 5 CDBDRO CN(c1ncnc2cccc([N+](=O)[O-])c21)C1CC[NH2+]CC1 ZINC001156181157 938330101 /nfs/dbraw/zinc/33/01/01/938330101.db2.gz VQJJLDZPBQKHDP-UHFFFAOYSA-N 1 0 287.323 1.726 20 5 CDBDRO [NH3+]CCc1nccn1-c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001156479221 938373404 /nfs/dbraw/zinc/37/34/04/938373404.db2.gz XBIVURMPSGWWKR-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1C[C@@H]2C[NH2+][C@@H]2C1 ZINC001157619837 938521263 /nfs/dbraw/zinc/52/12/63/938521263.db2.gz OMJLYLNBBBXWRV-POYBYMJQSA-N 1 0 254.677 1.051 20 5 CDBDRO NC(=[NH2+])c1nccn1-c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001157622360 938521797 /nfs/dbraw/zinc/52/17/97/938521797.db2.gz DDWKUONGADBBPQ-UHFFFAOYSA-N 1 0 282.263 1.613 20 5 CDBDRO C[C@H]1[C@H]([NH3+])CCCN1c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001157731725 938537537 /nfs/dbraw/zinc/53/75/37/938537537.db2.gz FLFCACSMLZBDKQ-GXSJLCMTSA-N 1 0 287.323 1.854 20 5 CDBDRO [NH3+]C[C@]1(F)CCN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)C1 ZINC001157816993 938551285 /nfs/dbraw/zinc/55/12/85/938551285.db2.gz ITGGRPRFPMGKLP-GFCCVEGCSA-N 1 0 279.275 1.348 20 5 CDBDRO C[C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)n2)C[C@H](C)[NH2+]1 ZINC001158172209 938590280 /nfs/dbraw/zinc/59/02/80/938590280.db2.gz CBFOVXITFZFOEN-OCAPTIKFSA-N 1 0 270.720 1.830 20 5 CDBDRO COc1cc(-n2ncc3c2cccc3C[NH3+])ncc1[N+](=O)[O-] ZINC001158307763 938607364 /nfs/dbraw/zinc/60/73/64/938607364.db2.gz HZJQMUGVJCVZSV-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO CO[C@@H]1CN(c2nc(C)cc(Cl)c2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC001158705886 938652769 /nfs/dbraw/zinc/65/27/69/938652769.db2.gz XFGSQJJBIZUNBH-DTWKUNHWSA-N 1 0 286.719 1.114 20 5 CDBDRO CO[C@@H]1CN(c2nc(Cl)cc(C)c2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC001158705350 938652913 /nfs/dbraw/zinc/65/29/13/938652913.db2.gz JFSJCSKYFQBJJP-JGVFFNPUSA-N 1 0 286.719 1.114 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC3(C2)CCC[NH2+]C3)n1 ZINC001159025697 938692336 /nfs/dbraw/zinc/69/23/36/938692336.db2.gz WJEHUZUCZUSQAC-UHFFFAOYSA-N 1 0 276.340 1.796 20 5 CDBDRO [NH3+]Cc1ccc2nnn(-c3ncc(F)cc3[N+](=O)[O-])c2c1 ZINC001159025931 938693186 /nfs/dbraw/zinc/69/31/86/938693186.db2.gz AUSWVLPUXGRLDX-UHFFFAOYSA-N 1 0 288.242 1.322 20 5 CDBDRO Cc1cnc(N2CCC3(C[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC001159040210 938695272 /nfs/dbraw/zinc/69/52/72/938695272.db2.gz YEXUBZRWBUWTPN-UHFFFAOYSA-N 1 0 262.313 1.488 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(NC[C@H]2CCCC[NH2+]2)n1 ZINC001160146925 938771274 /nfs/dbraw/zinc/77/12/74/938771274.db2.gz GSIKAGBBSZLBCR-SECBINFHSA-N 1 0 251.290 1.247 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C[NH3+])C(C)(C)C)n1 ZINC001160917140 938843053 /nfs/dbraw/zinc/84/30/53/938843053.db2.gz LDMAVFCDHCVQFT-JTQLQIEISA-N 1 0 296.327 1.562 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])Nc1ncc([N+](=O)[O-])cc1N ZINC001160914785 938843376 /nfs/dbraw/zinc/84/33/76/938843376.db2.gz XCYXMCIEGNGUIJ-VIFPVBQESA-N 1 0 253.306 1.357 20 5 CDBDRO CC(C)Oc1nc(NC/C=C/C[NH3+])ccc1[N+](=O)[O-] ZINC001160982568 938853764 /nfs/dbraw/zinc/85/37/64/938853764.db2.gz NIXXZTWZTAMTSB-ONEGZZNKSA-N 1 0 266.301 1.704 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](Nc2cc([N+](=O)[O-])c3nccn3c2)C1 ZINC001162402698 939045808 /nfs/dbraw/zinc/04/58/08/939045808.db2.gz VRYTZVHUMTXULV-UWVGGRQHSA-N 1 0 275.312 1.924 20 5 CDBDRO COc1ncc([N+](=O)[O-])c(NC[C@@H]2CCC[NH2+]C[C@H]2C)n1 ZINC001162456288 939059670 /nfs/dbraw/zinc/05/96/70/939059670.db2.gz WCZPPJXWQBCCIQ-ZJUUUORDSA-N 1 0 295.343 1.441 20 5 CDBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001162457831 939060606 /nfs/dbraw/zinc/06/06/06/939060606.db2.gz ROMYHLDUQNYABI-QWRGUYRKSA-N 1 0 280.328 1.276 20 5 CDBDRO CN(C)c1ccc(NC[C@@H]2C[C@H](F)C[NH2+]2)c([N+](=O)[O-])c1 ZINC001162478080 939064499 /nfs/dbraw/zinc/06/44/99/939064499.db2.gz TYWYEZXHVNRJFC-UWVGGRQHSA-N 1 0 282.319 1.773 20 5 CDBDRO COc1cc(NC[C@]2(F)CCCC[NH2+]C2)cnc1[N+](=O)[O-] ZINC001162583376 939093625 /nfs/dbraw/zinc/09/36/25/939093625.db2.gz MULAVURRZZGNHG-ZDUSSCGKSA-N 1 0 298.318 1.892 20 5 CDBDRO CCOC(=O)c1cnc(N[C@@H]2CC[NH2+][C@@H]2C)c([N+](=O)[O-])c1 ZINC001162666697 939111016 /nfs/dbraw/zinc/11/10/16/939111016.db2.gz KVYQZKVTRTUTTG-PSASIEDQSA-N 1 0 294.311 1.329 20 5 CDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1N[C@@H]1CC[NH2+][C@@H]1C ZINC001162673111 939111511 /nfs/dbraw/zinc/11/15/11/939111511.db2.gz LBDXBUTVUQRZLZ-RKDXNWHRSA-N 1 0 294.311 1.247 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1c(Cl)nccc1[N+](=O)[O-] ZINC001162670245 939111570 /nfs/dbraw/zinc/11/15/70/939111570.db2.gz AQQKJLHFEYCYLR-RNFRBKRXSA-N 1 0 256.693 1.806 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[NH2+][C@@H]2C)c1 ZINC001162675699 939112110 /nfs/dbraw/zinc/11/21/10/939112110.db2.gz AYXATJFHUWMZHS-PSASIEDQSA-N 1 0 279.296 1.544 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)n1 ZINC001162790054 939139934 /nfs/dbraw/zinc/13/99/34/939139934.db2.gz QCLKIHDZSKDNIP-HRDYMLBCSA-N 1 0 295.730 1.533 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3C=C[C@@H]4C[NH2+]C[C@H]34)c2c1 ZINC001162793529 939141858 /nfs/dbraw/zinc/14/18/58/939141858.db2.gz LODFMYQGBITQHV-LJWDBELGSA-N 1 0 297.318 1.724 20 5 CDBDRO Cc1c(F)cnc(N[C@@H]2COCCC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001163067888 939189691 /nfs/dbraw/zinc/18/96/91/939189691.db2.gz DDNNMEXOBVUROX-SNVBAGLBSA-N 1 0 296.302 1.228 20 5 CDBDRO [NH3+]C1(CNc2nc(Cl)nc(Cl)c2[N+](=O)[O-])CCC1 ZINC001163321684 939247150 /nfs/dbraw/zinc/24/71/50/939247150.db2.gz YJCDVWATMJXFLP-UHFFFAOYSA-N 1 0 292.126 1.985 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001163770150 939325708 /nfs/dbraw/zinc/32/57/08/939325708.db2.gz FWHCEBPKPMVBEY-ZETCQYMHSA-N 1 0 274.708 1.244 20 5 CDBDRO CC[N@@H+]1CCCN(c2cccc([N+](=O)[O-])n2)CC1 ZINC001163771481 939326172 /nfs/dbraw/zinc/32/61/72/939326172.db2.gz YRGFMEPTWLDCTI-UHFFFAOYSA-N 1 0 250.302 1.522 20 5 CDBDRO C[C@@H]1CC[C@H](C[NH3+])N(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001164072596 939406011 /nfs/dbraw/zinc/40/60/11/939406011.db2.gz AHPGZTWIFCCIKZ-RKDXNWHRSA-N 1 0 265.317 1.136 20 5 CDBDRO COc1nc(N2CCC[C@@](C)(C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001164243118 939439935 /nfs/dbraw/zinc/43/99/35/939439935.db2.gz WWEDBBGCCACZRK-CQSZACIVSA-N 1 0 294.355 1.954 20 5 CDBDRO CCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164494420 939479092 /nfs/dbraw/zinc/47/90/92/939479092.db2.gz JBOMZPKVPCXLOM-VXGBXAGGSA-N 1 0 283.372 1.328 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)c(Cl)c1 ZINC001165270172 939537535 /nfs/dbraw/zinc/53/75/35/939537535.db2.gz YQHVEVMILXJVCI-QWRGUYRKSA-N 1 0 298.730 1.210 20 5 CDBDRO COc1cc(C)nc(N2CC[C@@H]3[NH2+]CC[C@H]32)c1[N+](=O)[O-] ZINC001165296397 939542201 /nfs/dbraw/zinc/54/22/01/939542201.db2.gz HVIAOVNNIZDXAW-VHSXEESVSA-N 1 0 278.312 1.247 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4[NH2+]CC[C@H]43)c21 ZINC001165297860 939542586 /nfs/dbraw/zinc/54/25/86/939542586.db2.gz JTWVZMPQTPGLCY-GXSJLCMTSA-N 1 0 285.307 1.479 20 5 CDBDRO [NH3+]CCc1nccn1-c1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001166369874 939606221 /nfs/dbraw/zinc/60/62/21/939606221.db2.gz LWENZOHCHLDGCG-UHFFFAOYSA-N 1 0 272.268 1.158 20 5 CDBDRO CN(C[C@@H]1CC[NH2+]C1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001166955866 939659090 /nfs/dbraw/zinc/65/90/90/939659090.db2.gz IPYUECRPCVYBNC-SNVBAGLBSA-N 1 0 287.323 1.584 20 5 CDBDRO [NH3+][C@H]1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1(F)F ZINC001166962699 939662876 /nfs/dbraw/zinc/66/28/76/939662876.db2.gz WZANBVAZDGHWGD-QMMMGPOBSA-N 1 0 276.218 1.302 20 5 CDBDRO Cc1nc(Cl)nc(O[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001218282269 941050498 /nfs/dbraw/zinc/05/04/98/941050498.db2.gz RECGTKLHRUKJIM-ZETCQYMHSA-N 1 0 272.692 1.477 20 5 CDBDRO CN1CCO[C@@H](COCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224329977 941743238 /nfs/dbraw/zinc/74/32/38/941743238.db2.gz AHKIZEXUUJDDEZ-CQSZACIVSA-N 1 0 280.324 1.485 20 5 CDBDRO C[NH+]1CCC(CO[C@H](C[N+](=O)[O-])c2cccnc2)CC1 ZINC001224451902 941755921 /nfs/dbraw/zinc/75/59/21/941755921.db2.gz BXXLOBZRRSPQLM-CQSZACIVSA-N 1 0 279.340 1.758 20 5 CDBDRO CC(C)(C)OC(=O)N1C[C@@H](OCC[N+](C)(C)C)[C@@H](F)C1 ZINC001224770624 941790047 /nfs/dbraw/zinc/79/00/47/941790047.db2.gz CDSZKRLLEUVWJN-NWDGAFQWSA-N 1 0 291.387 1.667 20 5 CDBDRO Cc1cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001225239403 941832564 /nfs/dbraw/zinc/83/25/64/941832564.db2.gz CBAJLRAGEJJAJK-GFCCVEGCSA-N 1 0 252.334 1.358 20 5 CDBDRO CC(=O)c1ccccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225572873 941884008 /nfs/dbraw/zinc/88/40/08/941884008.db2.gz RLPGPNIKYUMROC-GFCCVEGCSA-N 1 0 280.344 1.252 20 5 CDBDRO CC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(F)c1 ZINC001225873474 941922144 /nfs/dbraw/zinc/92/21/44/941922144.db2.gz RMNLAALZUFCCCW-GFCCVEGCSA-N 1 0 298.334 1.391 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(F)c1F ZINC001225923185 941929540 /nfs/dbraw/zinc/92/95/40/941929540.db2.gz UQVHRILTMJCIJU-SECBINFHSA-N 1 0 274.287 1.327 20 5 CDBDRO Cc1ccnc(O[C@@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001226120780 941954095 /nfs/dbraw/zinc/95/40/95/941954095.db2.gz WFOCGPYRIIXTQK-LLVKDONJSA-N 1 0 263.297 1.771 20 5 CDBDRO COCc1cc(O[C@@H](C)C[N+](C)(C)C)nc(SC)n1 ZINC001226166744 941961539 /nfs/dbraw/zinc/96/15/39/941961539.db2.gz WUAUDTWVYZAUCB-JTQLQIEISA-N 1 0 286.421 1.818 20 5 CDBDRO CC(=O)Nc1cccnc1O[C@@H](C)C[N+](C)(C)C ZINC001226315149 941984699 /nfs/dbraw/zinc/98/46/99/941984699.db2.gz PMVHBRJLGBROFW-JTQLQIEISA-O 1 0 252.338 1.514 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001226805312 942075369 /nfs/dbraw/zinc/07/53/69/942075369.db2.gz XPTCYRQEDCXFQI-MRVPVSSYSA-N 1 0 292.270 1.760 20 5 CDBDRO COC(=O)c1ccc(O)cc1O[C@@H](C)C[N+](C)(C)C ZINC001228193404 942280188 /nfs/dbraw/zinc/28/01/88/942280188.db2.gz VERDMMFTDDVJSV-JTQLQIEISA-O 1 0 268.333 1.652 20 5 CDBDRO Cc1[nH]c(=O)cc(O[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001228685409 942357815 /nfs/dbraw/zinc/35/78/15/942357815.db2.gz HIXKGJCTWSSTOH-NSHDSACASA-N 1 0 279.296 1.477 20 5 CDBDRO CCOC(=O)c1ncccc1O[C@@H](C)C[N+](C)(C)C ZINC001229149092 942425215 /nfs/dbraw/zinc/42/52/15/942425215.db2.gz DXFNXUHCOPMPHR-NSHDSACASA-N 1 0 267.349 1.732 20 5 CDBDRO CC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)c(C(N)=O)c1 ZINC001229335025 942454752 /nfs/dbraw/zinc/45/47/52/942454752.db2.gz IVVUZOBXEJZAGT-SNVBAGLBSA-O 1 0 279.360 1.462 20 5 CDBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001233703650 943643344 /nfs/dbraw/zinc/64/33/44/943643344.db2.gz YWNBXVCERXPFGT-ZDUSSCGKSA-N 1 0 293.279 1.976 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001263133954 943759061 /nfs/dbraw/zinc/75/90/61/943759061.db2.gz IIUIUEDBTVMZCW-DUBDDPSESA-N 1 0 291.351 1.940 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC001263172483 943774349 /nfs/dbraw/zinc/77/43/49/943774349.db2.gz XFOPRSDCJRPPJW-BDAKNGLRSA-N 1 0 295.364 1.878 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001263187670 943780620 /nfs/dbraw/zinc/78/06/20/943780620.db2.gz UPAYVNYBMLWWPF-RKVAAYGKSA-N 1 0 289.335 1.580 20 5 CDBDRO COc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc1C ZINC001234279155 943791658 /nfs/dbraw/zinc/79/16/58/943791658.db2.gz DHLLZQKOFVAAEL-GFCCVEGCSA-N 1 0 282.360 1.366 20 5 CDBDRO Cc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc(Cl)n1 ZINC001234616953 943916637 /nfs/dbraw/zinc/91/66/37/943916637.db2.gz AXGGYKJGESDIFT-SNVBAGLBSA-N 1 0 287.767 1.406 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CNC(=O)C1 ZINC001254536179 947515842 /nfs/dbraw/zinc/51/58/42/947515842.db2.gz APKQHFZLKACGMO-WDEREUQCSA-N 1 0 277.324 1.252 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(C(N)=O)CCCC1 ZINC001254537037 947516330 /nfs/dbraw/zinc/51/63/30/947516330.db2.gz WEYCJBYQMVQQJC-NSHDSACASA-N 1 0 291.351 1.914 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1COCCN1C ZINC001254540166 947518481 /nfs/dbraw/zinc/51/84/81/947518481.db2.gz PKZHUTOJJNIWAA-JSGCOSHPSA-N 1 0 293.367 1.446 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)[C@@H]1CCOC1 ZINC001254548111 947518520 /nfs/dbraw/zinc/51/85/20/947518520.db2.gz KCPVFEJUOHVGAD-MRVWCRGKSA-N 1 0 294.351 1.513 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001254550403 947522656 /nfs/dbraw/zinc/52/26/56/947522656.db2.gz JALCWKFRAFAJDN-YPMHNXCESA-N 1 0 291.351 1.723 20 5 CDBDRO Cc1cnc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)nc1 ZINC001254565135 947528075 /nfs/dbraw/zinc/52/80/75/947528075.db2.gz CABFGMBYTAUDEH-CYBMUJFWSA-N 1 0 284.319 1.950 20 5 CDBDRO Cc1nc(CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)no1 ZINC001254568941 947531051 /nfs/dbraw/zinc/53/10/51/947531051.db2.gz WUQLSZNGMQEXGO-GFCCVEGCSA-N 1 0 288.307 1.586 20 5 CDBDRO CC(=O)N1CC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254577188 947534701 /nfs/dbraw/zinc/53/47/01/947534701.db2.gz CSCHOVIZZZFQTI-KBPBESRZSA-N 1 0 289.335 1.272 20 5 CDBDRO C[C@@H](CCO)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254586057 947542990 /nfs/dbraw/zinc/54/29/90/947542990.db2.gz ZMEBDYBIAXAYFL-JOYOIKCWSA-N 1 0 250.298 1.423 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@H](O)C1)C2 ZINC001254594468 947544803 /nfs/dbraw/zinc/54/48/03/947544803.db2.gz RFYPLHNGOUHZTC-KBPBESRZSA-N 1 0 262.309 1.519 20 5 CDBDRO CC[N@H+](C1COC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602606 947553891 /nfs/dbraw/zinc/55/38/91/947553891.db2.gz GVFOSOOYMHLSIE-ZDUSSCGKSA-N 1 0 262.309 1.783 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CC12CC2 ZINC001246132140 947977981 /nfs/dbraw/zinc/97/79/81/947977981.db2.gz LCTKVBPICAKUIG-SMDDNHRTSA-N 1 0 275.352 1.867 20 5 CDBDRO [NH3+]CC1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CC1 ZINC001247455126 948638990 /nfs/dbraw/zinc/63/89/90/948638990.db2.gz BNEBXRYQDPTZPZ-UHFFFAOYSA-N 1 0 279.231 1.169 20 5 CDBDRO CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC001252637859 951528582 /nfs/dbraw/zinc/52/85/82/951528582.db2.gz JSDBUPQZBHXJMY-UHFFFAOYSA-N 1 0 252.318 1.912 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001326134586 954231835 /nfs/dbraw/zinc/23/18/35/954231835.db2.gz ZINDKYYMQWMYCW-SNVBAGLBSA-N 1 0 280.328 1.392 20 5 CDBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC001318416180 958091787 /nfs/dbraw/zinc/09/17/87/958091787.db2.gz ZWWLQAIYWCXJCW-DTWKUNHWSA-N 1 0 280.332 1.252 20 5 CDBDRO CC(=O)OC[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC001334202234 958930564 /nfs/dbraw/zinc/93/05/64/958930564.db2.gz XXPVMSYHWHMOSL-SNVBAGLBSA-N 1 0 266.297 1.679 20 5 CDBDRO C[C@@H](NC(=O)NC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001336115079 960208929 /nfs/dbraw/zinc/20/89/29/960208929.db2.gz BRWHEUCYEQSUFV-ZYHUDNBSSA-N 1 0 292.339 1.707 20 5 CDBDRO O=C(CCc1c[nH]cn1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001322415528 960211983 /nfs/dbraw/zinc/21/19/83/960211983.db2.gz FUQGGHKURJHOQO-UHFFFAOYSA-N 1 0 286.291 1.793 20 5 CDBDRO CC(C)C[C@@H](CNc1cc(N)c([N+](=O)[O-])cn1)[NH+](C)C ZINC001336465416 960357888 /nfs/dbraw/zinc/35/78/88/960357888.db2.gz KKNUJGXFLHJNFT-JTQLQIEISA-N 1 0 281.360 1.960 20 5 CDBDRO CN(C)[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001338406611 961781419 /nfs/dbraw/zinc/78/14/19/961781419.db2.gz BJNZXSVCCQXXER-GJZGRUSLSA-N 1 0 293.367 1.558 20 5 CDBDRO CC[NH+](CC)CC[C@@H](C)Nc1c([N+](=O)[O-])cnn1C ZINC001340096126 962737034 /nfs/dbraw/zinc/73/70/34/962737034.db2.gz AKUGBYUYGICVLM-SNVBAGLBSA-N 1 0 269.349 1.861 20 5 CDBDRO CCn1c(C[N+](=O)[O-])nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001340867127 963161875 /nfs/dbraw/zinc/16/18/75/963161875.db2.gz SHGSYOISHZLDAW-UHFFFAOYSA-N 1 0 296.375 1.042 20 5 CDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341777727 963539946 /nfs/dbraw/zinc/53/99/46/963539946.db2.gz LLZAKQGERBLUOB-POQQGIQPSA-N 1 0 287.319 1.032 20 5 CDBDRO CC(C)(C(=O)NCC1([NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC001342931421 963863196 /nfs/dbraw/zinc/86/31/96/963863196.db2.gz FNVRTJCAXWKRHO-UHFFFAOYSA-N 1 0 277.324 1.480 20 5 CDBDRO Cc1c(C(=O)OC[C@H](C)[N+](=O)[O-])ccc2c[nH+]cn21 ZINC001343372385 963962589 /nfs/dbraw/zinc/96/25/89/963962589.db2.gz YHNILQAGJPICAU-QMMMGPOBSA-N 1 0 263.253 1.465 20 5 CDBDRO [NH3+]C1(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC001345308269 964663141 /nfs/dbraw/zinc/66/31/41/964663141.db2.gz USLSTIAIRXJMDI-UTCJRWHESA-N 1 0 261.281 1.216 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1NC ZINC001349403089 966338375 /nfs/dbraw/zinc/33/83/75/966338375.db2.gz IIYWBSPDOQHPAS-QMMMGPOBSA-N 1 0 266.301 1.104 20 5 CDBDRO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](CC[N+](=O)[O-])C2)C1 ZINC001351302545 966906757 /nfs/dbraw/zinc/90/67/57/966906757.db2.gz AFVDRGMLJKMIQA-AWEZNQCLSA-N 1 0 299.371 1.596 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2C=CCC2)c1 ZINC001353300260 967873428 /nfs/dbraw/zinc/87/34/28/967873428.db2.gz LSSZOYAJPIFHFE-YPMHNXCESA-N 1 0 278.308 1.643 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001356498818 969411902 /nfs/dbraw/zinc/41/19/02/969411902.db2.gz JHZBUIRZRNLKSJ-ZLKJLUDKSA-N 1 0 291.351 1.670 20 5 CDBDRO Cc1cc(NC(=O)[C@@H]([NH3+])CC2CC2)cc([N+](=O)[O-])c1 ZINC001356537968 969421476 /nfs/dbraw/zinc/42/14/76/969421476.db2.gz PBTRLABEPRUTMF-LBPRGKRZSA-N 1 0 263.297 1.969 20 5 CDBDRO Cc1ccc(CNC(=O)C[C@@H]2C[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC001357993292 969676674 /nfs/dbraw/zinc/67/66/74/969676674.db2.gz WOTYLQPGFFBMJO-DGCLKSJQSA-N 1 0 291.351 1.765 20 5 CDBDRO C[C@@H](NC(=O)C[C@@H]([NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001358141766 969700709 /nfs/dbraw/zinc/70/07/09/969700709.db2.gz FURXRYFREYMMPL-NOZJJQNGSA-N 1 0 277.324 1.899 20 5 CDBDRO [NH3+]CCCCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001521513046 970306736 /nfs/dbraw/zinc/30/67/36/970306736.db2.gz OREDNBNEIBKYSE-QWHCGFSZSA-N 1 0 277.324 1.553 20 5 CDBDRO COc1cc(C(=O)N2CC[C@H](CC[NH3+])C2)ccc1[N+](=O)[O-] ZINC001523019741 970632012 /nfs/dbraw/zinc/63/20/12/970632012.db2.gz XZZNOYRQWIADAL-JTQLQIEISA-N 1 0 293.323 1.414 20 5 CDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CC(C)(C)[NH3+] ZINC001573872808 1170815006 /nfs/dbraw/zinc/81/50/06/1170815006.db2.gz NMKIFYPZABAUKR-UHFFFAOYSA-N 1 0 279.340 1.723 20 5 CDBDRO CC(C)([NH3+])CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001575347430 1171156868 /nfs/dbraw/zinc/15/68/68/1171156868.db2.gz SYJJPJOAUPQPPR-UHFFFAOYSA-N 1 0 295.339 1.607 20 5 CDBDRO C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001576252234 1171371768 /nfs/dbraw/zinc/37/17/68/1171371768.db2.gz QHPSWQDZMXXWPP-MISXGVKJSA-N 1 0 279.340 1.622 20 5 CDBDRO CC[NH2+]CCCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC001577846145 1171753373 /nfs/dbraw/zinc/75/33/73/1171753373.db2.gz XQTCWOVBEFDFPB-UHFFFAOYSA-N 1 0 267.329 1.693 20 5 CDBDRO CCOC(=O)c1ccnc(N2C[C@H]([NH3+])C[C@@H]2C)c1[N+](=O)[O-] ZINC001578060981 1171797093 /nfs/dbraw/zinc/79/70/93/1171797093.db2.gz JBFVUODTHQJRGQ-DTWKUNHWSA-N 1 0 294.311 1.092 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000307899346 342468914 /nfs/dbraw/zinc/46/89/14/342468914.db2.gz QHRSIYHOBFGADP-LLVKDONJSA-N 1 0 263.297 1.465 20 5 CDBDRO CN(CCCN1CC[NH+](C)CC1)c1ccsc1[N+](=O)[O-] ZINC000601114977 342471875 /nfs/dbraw/zinc/47/18/75/342471875.db2.gz CWAPUPDWNQEIRK-UHFFFAOYSA-N 1 0 298.412 1.730 20 5 CDBDRO C[C@@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000586865452 342473002 /nfs/dbraw/zinc/47/30/02/342473002.db2.gz DFLALGCCMHRHEZ-NSHDSACASA-N 1 0 279.340 1.546 20 5 CDBDRO COC[C@](C)(CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000601140872 342479972 /nfs/dbraw/zinc/47/99/72/342479972.db2.gz CSLJMGDCAUNSBP-ZDUSSCGKSA-N 1 0 284.312 1.090 20 5 CDBDRO CN(CC[NH+](C)C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589191902 342499242 /nfs/dbraw/zinc/49/92/42/342499242.db2.gz VNLZTUWXFAIUSN-UHFFFAOYSA-N 1 0 295.339 1.359 20 5 CDBDRO C[NH+](C)C[C@@H](CO)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000589101776 342496883 /nfs/dbraw/zinc/49/68/83/342496883.db2.gz KPHHEGZUMKZNCJ-JTQLQIEISA-N 1 0 290.323 1.477 20 5 CDBDRO CCc1nn(C)c(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000590146277 342522991 /nfs/dbraw/zinc/52/29/91/342522991.db2.gz JYMXJFUTSZDIRJ-AOOOYVTPSA-N 1 0 281.360 1.420 20 5 CDBDRO Cc1c(CNC(=O)[C@H]2CC[NH2+][C@@H]2C)cccc1[N+](=O)[O-] ZINC000231857008 341994790 /nfs/dbraw/zinc/99/47/90/341994790.db2.gz QPEJYTPGBWLJFQ-PWSUYJOCSA-N 1 0 277.324 1.517 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000590403667 342543976 /nfs/dbraw/zinc/54/39/76/342543976.db2.gz LXVVOAYWSJQPBC-SCZZXKLOSA-N 1 0 283.353 1.821 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000599200086 343979846 /nfs/dbraw/zinc/97/98/46/343979846.db2.gz WBYULXRLMWLTTM-LBPRGKRZSA-N 1 0 265.313 1.382 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000127681517 187325351 /nfs/dbraw/zinc/32/53/51/187325351.db2.gz CTYSSNHANKQORN-LBPRGKRZSA-N 1 0 277.324 1.348 20 5 CDBDRO Cc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000382435512 361744339 /nfs/dbraw/zinc/74/43/39/361744339.db2.gz VLRAFQNEKTZPJR-VHSXEESVSA-N 1 0 250.302 1.980 20 5 CDBDRO C[C@H]1[C@@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])CCC[N@@H+]1C ZINC000342834861 361751162 /nfs/dbraw/zinc/75/11/62/361751162.db2.gz LARPUCXNTJGFJV-ONGXEEELSA-N 1 0 292.339 1.588 20 5 CDBDRO CC1CCC([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000151294758 342094508 /nfs/dbraw/zinc/09/45/08/342094508.db2.gz CVXALNNEBPCYLZ-UHFFFAOYSA-N 1 0 252.318 1.960 20 5 CDBDRO C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000609200906 342095894 /nfs/dbraw/zinc/09/58/94/342095894.db2.gz CMVDZJIGADWQKI-PWSUYJOCSA-N 1 0 277.324 1.724 20 5 CDBDRO O=C1NCCC[C@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000590971824 342612360 /nfs/dbraw/zinc/61/23/60/342612360.db2.gz OHASDIFWITWNAT-RJNRQISESA-N 1 0 289.335 1.724 20 5 CDBDRO COc1cc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000591439062 342632011 /nfs/dbraw/zinc/63/20/11/342632011.db2.gz RYFBHPXOLUTIKP-GXSJLCMTSA-N 1 0 295.314 1.931 20 5 CDBDRO Cc1nc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)ccc1[N+](=O)[O-] ZINC000591437359 342631862 /nfs/dbraw/zinc/63/18/62/342631862.db2.gz GQAJCWSGKBMDLZ-WDEREUQCSA-N 1 0 262.313 1.486 20 5 CDBDRO COC[C@H](O)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000591758810 342644141 /nfs/dbraw/zinc/64/41/41/342644141.db2.gz MVTYOUUTLAWGJA-LLVKDONJSA-N 1 0 288.731 1.388 20 5 CDBDRO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC2(CCCC2)O1 ZINC000592191456 342674372 /nfs/dbraw/zinc/67/43/72/342674372.db2.gz CMVNABQWWLDTQW-LBPRGKRZSA-N 1 0 294.355 1.825 20 5 CDBDRO CC[N@H+](CCSC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000592202326 342676647 /nfs/dbraw/zinc/67/66/47/342676647.db2.gz XKRUUBHMYILXPB-UHFFFAOYSA-N 1 0 297.380 1.879 20 5 CDBDRO CC1([NH3+])CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000592328491 342685298 /nfs/dbraw/zinc/68/52/98/342685298.db2.gz KLODZLGTMGRYAT-UHFFFAOYSA-N 1 0 278.312 1.130 20 5 CDBDRO CC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](C)O ZINC000592430980 342695407 /nfs/dbraw/zinc/69/54/07/342695407.db2.gz VXYHVUVVKNXLDB-JKOKRWQUSA-N 1 0 298.339 1.084 20 5 CDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCC[NH3+] ZINC000592473633 342698593 /nfs/dbraw/zinc/69/85/93/342698593.db2.gz KMSQGQCMSVCABN-JTQLQIEISA-N 1 0 280.328 1.202 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000592475186 342698894 /nfs/dbraw/zinc/69/88/94/342698894.db2.gz ASDCTNRRKHDESA-FZMZJTMJSA-N 1 0 295.339 1.022 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000592475619 342698901 /nfs/dbraw/zinc/69/89/01/342698901.db2.gz QRVUEKMVNSSNOU-TVQRCGJNSA-N 1 0 283.303 1.282 20 5 CDBDRO CC(C)(NC(=O)[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000592539699 342708403 /nfs/dbraw/zinc/70/84/03/342708403.db2.gz QYLYRCFGBSTIHP-GFCCVEGCSA-N 1 0 277.324 1.698 20 5 CDBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCC(=O)N1 ZINC000453582831 252328072 /nfs/dbraw/zinc/32/80/72/252328072.db2.gz CALNTQNREGIVQU-CYBMUJFWSA-N 1 0 281.287 1.492 20 5 CDBDRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000125498372 187187671 /nfs/dbraw/zinc/18/76/71/187187671.db2.gz XMDVWCPTQKOODQ-XTZNXHDOSA-N 1 0 270.354 1.842 20 5 CDBDRO COc1ccc(NC(=O)[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000593908048 342855012 /nfs/dbraw/zinc/85/50/12/342855012.db2.gz ZLQXIPDQRFQKGK-JTQLQIEISA-N 1 0 293.323 1.932 20 5 CDBDRO C[C@@H]([NH2+]CC[C@H]1CCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000593970976 342858689 /nfs/dbraw/zinc/85/86/89/342858689.db2.gz BCLIFVLICTVQIH-MNOVXSKESA-N 1 0 277.324 1.772 20 5 CDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000594430032 342897837 /nfs/dbraw/zinc/89/78/37/342897837.db2.gz UXFHKAPJANUJIF-WFASDCNBSA-N 1 0 289.335 1.601 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](O)C(F)F ZINC000594496707 342914035 /nfs/dbraw/zinc/91/40/35/342914035.db2.gz RXOVIHMSSQNKSI-KOLCDFICSA-N 1 0 272.251 1.798 20 5 CDBDRO C[NH2+]C1(CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])CCC1 ZINC000600824773 342251656 /nfs/dbraw/zinc/25/16/56/342251656.db2.gz PBALXTXGHUZGMJ-UHFFFAOYSA-N 1 0 293.323 1.475 20 5 CDBDRO [NH3+][C@@H](c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@H]1CCCO1 ZINC000594640781 342939142 /nfs/dbraw/zinc/93/91/42/342939142.db2.gz MZEKNADIFJUDIS-OLZOCXBDSA-N 1 0 289.295 1.354 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000595263596 343015220 /nfs/dbraw/zinc/01/52/20/343015220.db2.gz GTNPCAHKHJRUAS-UHFFFAOYSA-N 1 0 294.355 1.516 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595264462 343015700 /nfs/dbraw/zinc/01/57/00/343015700.db2.gz YSFBRENQHAMQTM-NXEZZACHSA-N 1 0 280.328 1.563 20 5 CDBDRO Cc1noc(CN(C)C[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000595311304 343032930 /nfs/dbraw/zinc/03/29/30/343032930.db2.gz INYWKSDBYAAYDE-SNVBAGLBSA-N 1 0 269.301 1.750 20 5 CDBDRO Cc1noc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000595396487 343047745 /nfs/dbraw/zinc/04/77/45/343047745.db2.gz VWYGRIVMPXMGSY-GHMZBOCLSA-N 1 0 281.312 1.750 20 5 CDBDRO Nc1nc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ncc1[N+](=O)[O-] ZINC000076268205 342320308 /nfs/dbraw/zinc/32/03/08/342320308.db2.gz NJGANYYEIVMMOQ-RKDXNWHRSA-N 1 0 278.316 1.006 20 5 CDBDRO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1CO ZINC000595459334 343069928 /nfs/dbraw/zinc/06/99/28/343069928.db2.gz NHCGFLABYCRUEF-RNCFNFMXSA-N 1 0 268.288 1.937 20 5 CDBDRO Cc1noc(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000595522167 343088514 /nfs/dbraw/zinc/08/85/14/343088514.db2.gz IYDHUWAZMXMONI-LLVKDONJSA-N 1 0 282.344 1.806 20 5 CDBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000595678074 343129908 /nfs/dbraw/zinc/12/99/08/343129908.db2.gz QFKULKBFIDOATH-NEPJUHHUSA-N 1 0 282.344 1.274 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC(=O)N(C)CC1 ZINC000595781289 343154299 /nfs/dbraw/zinc/15/42/99/343154299.db2.gz FGYYIUHDDVFVKU-LLVKDONJSA-N 1 0 277.324 1.820 20 5 CDBDRO [NH3+]C1(CNC(=O)COc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000595940125 343203166 /nfs/dbraw/zinc/20/31/66/343203166.db2.gz BFCZMDPXZVBYFB-UHFFFAOYSA-N 1 0 293.323 1.361 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC(C)(C)[NH3+])c1 ZINC000595945899 343205404 /nfs/dbraw/zinc/20/54/04/343205404.db2.gz QIJVEEQYIWWOJC-UHFFFAOYSA-N 1 0 265.313 1.713 20 5 CDBDRO Cc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])s1 ZINC000596081986 343220330 /nfs/dbraw/zinc/22/03/30/343220330.db2.gz FUTCMYMTEDTWSI-DTORHVGOSA-N 1 0 253.327 1.620 20 5 CDBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ccc(N)c([N+](=O)[O-])n1 ZINC000596138240 343240972 /nfs/dbraw/zinc/24/09/72/343240972.db2.gz HDOHWDQHVVFBOY-LLVKDONJSA-N 1 0 293.371 1.883 20 5 CDBDRO CC[NH+](CC)C[C@@H]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596140198 343241664 /nfs/dbraw/zinc/24/16/64/343241664.db2.gz FCFPEMUZHIGPKS-NSHDSACASA-N 1 0 294.355 1.864 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ncc([N+](=O)[O-])s1 ZINC000596243853 343285551 /nfs/dbraw/zinc/28/55/51/343285551.db2.gz LNTMVLIPIRHVMK-HTQZYQBOSA-N 1 0 256.331 1.580 20 5 CDBDRO CC(C)[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CC[N@@H+]1C ZINC000596205370 343265148 /nfs/dbraw/zinc/26/51/48/343265148.db2.gz IUWWRGXWLDYBBL-LLVKDONJSA-N 1 0 279.344 1.348 20 5 CDBDRO O=c1[nH]ccc(NCC[N@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000596222865 343271067 /nfs/dbraw/zinc/27/10/67/343271067.db2.gz JUNACTVXBUNLIS-UHFFFAOYSA-N 1 0 264.285 1.369 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[C@@H](C)[NH+](C)C ZINC000596433170 343319791 /nfs/dbraw/zinc/31/97/91/343319791.db2.gz RTWMPBOUIYSAAH-SECBINFHSA-N 1 0 269.349 1.872 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000596335161 343298019 /nfs/dbraw/zinc/29/80/19/343298019.db2.gz GGAOUOWHSVYAHK-VIFPVBQESA-N 1 0 267.333 1.613 20 5 CDBDRO Cn1ccnc1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087296725 342386197 /nfs/dbraw/zinc/38/61/97/342386197.db2.gz XAHBXXZGOWZRNE-UHFFFAOYSA-N 1 0 288.307 1.577 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000619565917 349804591 /nfs/dbraw/zinc/80/45/91/349804591.db2.gz OHAOKCYCKWRVFB-NXEZZACHSA-N 1 0 283.353 1.869 20 5 CDBDRO Cc1c([C@H](C)[NH2+]C[C@]2(O)CCOC2)cccc1[N+](=O)[O-] ZINC000090848498 342397569 /nfs/dbraw/zinc/39/75/69/342397569.db2.gz GZUMDJTWDBLLTP-SMDDNHRTSA-N 1 0 280.324 1.705 20 5 CDBDRO Cc1ccc(C[N@@H+](C)CC(C)(CO)CO)cc1[N+](=O)[O-] ZINC000093502633 342429237 /nfs/dbraw/zinc/42/92/37/342429237.db2.gz SEBWLQBDJMRJFZ-UHFFFAOYSA-N 1 0 282.340 1.326 20 5 CDBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000209951992 342438708 /nfs/dbraw/zinc/43/87/08/342438708.db2.gz JYMGKONFUSSESL-YGRLFVJLSA-N 1 0 284.319 1.941 20 5 CDBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000054951223 342443750 /nfs/dbraw/zinc/44/37/50/342443750.db2.gz DUPUQILHRZCVNB-UHFFFAOYSA-N 1 0 278.312 1.280 20 5 CDBDRO COc1ccc(C[NH2+]C2([C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000597234678 343490320 /nfs/dbraw/zinc/49/03/20/343490320.db2.gz NQPQKKBYWVJGMF-SECBINFHSA-N 1 0 266.297 1.606 20 5 CDBDRO CC(C)c1n[nH]c(C(=O)N2CC(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000597707261 343605683 /nfs/dbraw/zinc/60/56/83/343605683.db2.gz BQWJVZOSSDVBFX-UHFFFAOYSA-N 1 0 295.343 1.075 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000598342077 343770753 /nfs/dbraw/zinc/77/07/53/343770753.db2.gz DHFGAQUSGBGRMM-CYBMUJFWSA-N 1 0 291.351 1.738 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[NH2+]CC1 ZINC000598917043 343920678 /nfs/dbraw/zinc/92/06/78/343920678.db2.gz RFFZIMPALSRSEB-UHFFFAOYSA-N 1 0 282.275 1.561 20 5 CDBDRO CO[C@H]1C[NH2+][C@@](C)(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000602431705 344424486 /nfs/dbraw/zinc/42/44/86/344424486.db2.gz KCWMIOMEUUKYMK-DGCLKSJQSA-N 1 0 279.296 1.300 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)ccc1[N+](=O)[O-] ZINC000602598126 344503556 /nfs/dbraw/zinc/50/35/56/344503556.db2.gz BTGNJRQJRYDYBS-QWRGUYRKSA-N 1 0 261.281 1.090 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602489425 344450543 /nfs/dbraw/zinc/45/05/43/344450543.db2.gz JZXMGGAWWVDYPY-MRVPVSSYSA-N 1 0 269.276 1.462 20 5 CDBDRO CCN(CC[NH3+])C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000602534285 344470255 /nfs/dbraw/zinc/47/02/55/344470255.db2.gz HXHZTSVZZCEMTD-SNVBAGLBSA-N 1 0 297.380 1.883 20 5 CDBDRO O=[N+]([O-])c1sc(C[NH2+]CCO)cc1Br ZINC000602585718 344477452 /nfs/dbraw/zinc/47/74/52/344477452.db2.gz IIPHRJNPQBSHPE-UHFFFAOYSA-N 1 0 281.131 1.501 20 5 CDBDRO CCOc1ccc(C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000602594787 344501858 /nfs/dbraw/zinc/50/18/58/344501858.db2.gz DEPLGEVOJZCAFR-ONGXEEELSA-N 1 0 293.323 1.555 20 5 CDBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602595075 344502103 /nfs/dbraw/zinc/50/21/03/344502103.db2.gz GTXMTGUGMMQOEH-DTORHVGOSA-N 1 0 279.271 1.310 20 5 CDBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000602765980 344572916 /nfs/dbraw/zinc/57/29/16/344572916.db2.gz NOGYKIDYJOZHLS-LBPRGKRZSA-N 1 0 282.344 1.458 20 5 CDBDRO CCN1C[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000602709118 344551426 /nfs/dbraw/zinc/55/14/26/344551426.db2.gz BCGISZBABHVKMC-ZDUSSCGKSA-N 1 0 291.351 1.595 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000417979753 529997152 /nfs/dbraw/zinc/99/71/52/529997152.db2.gz JOEMECHECOMLJW-QWRGUYRKSA-N 1 0 294.355 1.811 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000602781105 344596683 /nfs/dbraw/zinc/59/66/83/344596683.db2.gz HOYSUBALFFVQSM-AOOOYVTPSA-N 1 0 252.318 1.688 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000602812017 344604412 /nfs/dbraw/zinc/60/44/12/344604412.db2.gz RPKOUBORPYAKGD-KOLCDFICSA-N 1 0 268.317 1.114 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](CCCO)C1 ZINC000602837902 344620041 /nfs/dbraw/zinc/62/00/41/344620041.db2.gz PTJLXZYXWFJDHO-LBPRGKRZSA-N 1 0 282.344 1.194 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNc1cccnc1[N+](=O)[O-] ZINC000159284327 344806655 /nfs/dbraw/zinc/80/66/55/344806655.db2.gz CNZJMTORKGSJNR-SNVBAGLBSA-N 1 0 250.302 1.886 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000302506713 344867487 /nfs/dbraw/zinc/86/74/87/344867487.db2.gz USXXVJHLGDEQOP-UHFFFAOYSA-N 1 0 251.286 1.324 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCC1CC[NH+](C)CC1 ZINC000604552424 344902897 /nfs/dbraw/zinc/90/28/97/344902897.db2.gz OFIVZFHVWFNKAO-UHFFFAOYSA-N 1 0 294.355 1.395 20 5 CDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159726991 362510897 /nfs/dbraw/zinc/51/08/97/362510897.db2.gz HXCPCKGNOZYFQM-VXGBXAGGSA-N 1 0 279.340 1.734 20 5 CDBDRO CC(C)(CO)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000618572095 345063155 /nfs/dbraw/zinc/06/31/55/345063155.db2.gz WJUBWDLXXQXDQP-NWDGAFQWSA-N 1 0 296.371 1.883 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000129056180 345256545 /nfs/dbraw/zinc/25/65/45/345256545.db2.gz INWHTFNDCPQYLJ-UHFFFAOYSA-N 1 0 280.328 1.053 20 5 CDBDRO CCO[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159840905 345276859 /nfs/dbraw/zinc/27/68/59/345276859.db2.gz CKTIBGNLTFAVKH-CYBMUJFWSA-N 1 0 295.339 1.257 20 5 CDBDRO C[C@H](O)CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000617508287 345680851 /nfs/dbraw/zinc/68/08/51/345680851.db2.gz OIFCJJGBBWICLX-QZPNVGJNSA-N 1 0 250.298 1.969 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCOCC3)CC2)s1 ZINC000610480085 346289969 /nfs/dbraw/zinc/28/99/69/346289969.db2.gz GWHKDIXVOXPZPI-UHFFFAOYSA-N 1 0 297.380 1.957 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085368282 179038090 /nfs/dbraw/zinc/03/80/90/179038090.db2.gz HIIJNQUWVDYHCS-NEPJUHHUSA-N 1 0 277.324 1.681 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000085365146 179036295 /nfs/dbraw/zinc/03/62/95/179036295.db2.gz NULHIDSPDUVRJU-QWHCGFSZSA-N 1 0 277.324 1.729 20 5 CDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC(C)(C)CCC[NH3+] ZINC000293576614 362746797 /nfs/dbraw/zinc/74/67/97/362746797.db2.gz CYMXDWVGFFTUNS-UHFFFAOYSA-N 1 0 297.359 1.124 20 5 CDBDRO COc1cc(C[NH2+]C[C@](C)(O)C2CC2)c([N+](=O)[O-])cc1O ZINC000344414414 362752783 /nfs/dbraw/zinc/75/27/83/362752783.db2.gz YGKPVSPFFKJTKP-AWEZNQCLSA-N 1 0 296.323 1.560 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000611084744 346604022 /nfs/dbraw/zinc/60/40/22/346604022.db2.gz QGJTYQULBVUMGS-JTQLQIEISA-N 1 0 286.353 1.426 20 5 CDBDRO CN(CCC[NH3+])C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000122215601 347615938 /nfs/dbraw/zinc/61/59/38/347615938.db2.gz JUCVCIMHBSENTJ-UHFFFAOYSA-N 1 0 255.249 1.155 20 5 CDBDRO COc1cc(OCC[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000122599796 347661853 /nfs/dbraw/zinc/66/18/53/347661853.db2.gz ISHXEPJKAQVJAL-JTQLQIEISA-N 1 0 266.297 1.982 20 5 CDBDRO C[NH2+]CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000129347967 362894982 /nfs/dbraw/zinc/89/49/82/362894982.db2.gz JIAGGZQLUPHRKN-UHFFFAOYSA-N 1 0 255.249 1.073 20 5 CDBDRO Cc1n[nH]c(C(=O)NCCC[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000064354853 348939425 /nfs/dbraw/zinc/93/94/25/348939425.db2.gz WLHKIAOPUQSWIR-UHFFFAOYSA-N 1 0 283.332 1.086 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000068342253 349063154 /nfs/dbraw/zinc/06/31/54/349063154.db2.gz DZZVEAVVKCHURH-CQSZACIVSA-N 1 0 291.351 1.690 20 5 CDBDRO COC[C@H](O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090950238 180072154 /nfs/dbraw/zinc/07/21/54/180072154.db2.gz AFNWTMZGHKEQAV-GXFFZTMASA-N 1 0 268.313 1.643 20 5 CDBDRO C[C@H](CC[NH+](C)C)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000310912166 350619376 /nfs/dbraw/zinc/61/93/76/350619376.db2.gz DFTDOSGCKVMPRZ-MRVPVSSYSA-N 1 0 253.306 1.324 20 5 CDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000110796585 186325840 /nfs/dbraw/zinc/32/58/40/186325840.db2.gz GVWAXHFKZTXCLJ-SECBINFHSA-N 1 0 281.287 1.463 20 5 CDBDRO Cc1nc(N2CC[C@H]([NH+]3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000515985353 362980392 /nfs/dbraw/zinc/98/03/92/362980392.db2.gz DMRKWQBLRGBGOU-LBPRGKRZSA-N 1 0 291.355 1.758 20 5 CDBDRO O=C(CC[C@@H]1CCC[NH2+]1)NCc1cccc([N+](=O)[O-])c1 ZINC000312871645 350797065 /nfs/dbraw/zinc/79/70/65/350797065.db2.gz UIHXBJOJNBPEMN-LBPRGKRZSA-N 1 0 277.324 1.743 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCO[C@@H](C[NH3+])C2)c1 ZINC000313338446 350833763 /nfs/dbraw/zinc/83/37/63/350833763.db2.gz JUTKJYLJIRXRSP-NSHDSACASA-N 1 0 293.323 1.093 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000111303513 186393552 /nfs/dbraw/zinc/39/35/52/186393552.db2.gz JKWZMGMJIMDXNN-WSKFYRRCSA-N 1 0 263.297 1.462 20 5 CDBDRO C[NH2+]CCCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000209209695 350940951 /nfs/dbraw/zinc/94/09/51/350940951.db2.gz PTZTVFRKKZZBOY-FPLPWBNLSA-N 1 0 263.297 1.334 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000156421324 351488619 /nfs/dbraw/zinc/48/86/19/351488619.db2.gz OQEOOVQYFDVHCB-CMPLNLGQSA-N 1 0 293.323 1.091 20 5 CDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[NH+]1CCCC1 ZINC000516389411 363089206 /nfs/dbraw/zinc/08/92/06/363089206.db2.gz RXNNLHCSXWQCMT-SNVBAGLBSA-N 1 0 280.328 1.147 20 5 CDBDRO CC(C)(C[NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000123017379 187066243 /nfs/dbraw/zinc/06/62/43/187066243.db2.gz NTRAMWVOGFIXGI-UHFFFAOYSA-N 1 0 265.313 1.238 20 5 CDBDRO COc1ccc(NC(=O)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000136475946 363111076 /nfs/dbraw/zinc/11/10/76/363111076.db2.gz BNOQTYFEQVXLBP-SSDOTTSWSA-N 1 0 253.258 1.137 20 5 CDBDRO CCOC(=O)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000155114387 188183109 /nfs/dbraw/zinc/18/31/09/188183109.db2.gz HAXDKCFSFSRZJE-NSHDSACASA-N 1 0 296.327 1.066 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCCCO1 ZINC000157768346 188337256 /nfs/dbraw/zinc/33/72/56/188337256.db2.gz GWNXUTQNUGRRIZ-GFCCVEGCSA-N 1 0 268.317 1.292 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000158294179 188367783 /nfs/dbraw/zinc/36/77/83/188367783.db2.gz MVUIUEYBIBVEMK-SNVBAGLBSA-N 1 0 295.364 1.637 20 5 CDBDRO Nc1ccc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000158295259 188368289 /nfs/dbraw/zinc/36/82/89/188368289.db2.gz LXKYSJZUTXKHLR-AWEZNQCLSA-N 1 0 290.323 1.003 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158628888 188386255 /nfs/dbraw/zinc/38/62/55/188386255.db2.gz YNZLUKIEGJBUPM-HNNXBMFYSA-N 1 0 289.335 1.349 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC000250973518 366115000 /nfs/dbraw/zinc/11/50/00/366115000.db2.gz FANVQKSICOJYMY-NWDGAFQWSA-N 1 0 292.339 1.573 20 5 CDBDRO O=[N+]([O-])c1cc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cs1 ZINC000112839407 366159633 /nfs/dbraw/zinc/15/96/33/366159633.db2.gz QEZJHSUECBHFMO-NEPJUHHUSA-N 1 0 297.380 1.609 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000094339221 366162415 /nfs/dbraw/zinc/16/24/15/366162415.db2.gz CCFZKFNAMNNYNF-BKVNPXPRSA-N 1 0 289.335 1.804 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000168717324 188651828 /nfs/dbraw/zinc/65/18/28/188651828.db2.gz GBTMJYFABKISBR-JQWIXIFHSA-N 1 0 277.324 1.333 20 5 CDBDRO Cc1nn(C)c(N2CCC([C@@H]3CCC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC000063201114 363398900 /nfs/dbraw/zinc/39/89/00/363398900.db2.gz SHGIOFDEMWGPDH-LBPRGKRZSA-N 1 0 293.371 1.605 20 5 CDBDRO NC(=O)c1cccc(NCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000341535560 358493960 /nfs/dbraw/zinc/49/39/60/358493960.db2.gz PWCXJZZPDZMSMQ-UHFFFAOYSA-N 1 0 292.339 1.592 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000216587302 356004145 /nfs/dbraw/zinc/00/41/45/356004145.db2.gz LMLVGFFNRDNNAS-MFKMUULPSA-N 1 0 275.308 1.337 20 5 CDBDRO COc1cc(C(=O)NCCCC[NH3+])cc([N+](=O)[O-])c1OC ZINC000273016295 192019559 /nfs/dbraw/zinc/01/95/59/192019559.db2.gz WINOFUTXBGOHDT-UHFFFAOYSA-N 1 0 297.311 1.081 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CC[NH2+]C1 ZINC000273006783 192015908 /nfs/dbraw/zinc/01/59/08/192015908.db2.gz IHZSTHQXDNUQAY-VIFPVBQESA-N 1 0 297.742 1.516 20 5 CDBDRO CC1(C)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174859685 188921498 /nfs/dbraw/zinc/92/14/98/188921498.db2.gz GERZMKHIYQGBRG-UHFFFAOYSA-N 1 0 252.318 1.913 20 5 CDBDRO Cc1c(C(=O)N[C@H](C)CC[NH3+])cccc1[N+](=O)[O-] ZINC000336788396 356262808 /nfs/dbraw/zinc/26/28/08/356262808.db2.gz GXMSSRYJGKMAAR-MRVPVSSYSA-N 1 0 251.286 1.370 20 5 CDBDRO C[C@H](O)[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000304528132 356305508 /nfs/dbraw/zinc/30/55/08/356305508.db2.gz MHZRCSYGCSFBCV-CMPLNLGQSA-N 1 0 268.317 1.027 20 5 CDBDRO C[C@@H](CNc1cccnc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000219436341 356349412 /nfs/dbraw/zinc/34/94/12/356349412.db2.gz NIBHYWBEBFDSEJ-VIFPVBQESA-N 1 0 250.302 1.884 20 5 CDBDRO Cc1c(CNC(=O)N[C@H]2C[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC001579534340 1172207562 /nfs/dbraw/zinc/20/75/62/1172207562.db2.gz FTDMLXLWZGCANM-XYPYZODXSA-N 1 0 278.312 1.192 20 5 CDBDRO COC1(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000163397546 356647036 /nfs/dbraw/zinc/64/70/36/356647036.db2.gz CBZGVJFJFABUJC-UHFFFAOYSA-N 1 0 279.296 1.302 20 5 CDBDRO O=C(NC1CC[NH2+]CC1)c1csc([N+](=O)[O-])c1 ZINC000037563267 356911734 /nfs/dbraw/zinc/91/17/34/356911734.db2.gz UDUBPXAZNQZQGV-UHFFFAOYSA-N 1 0 255.299 1.138 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC000261696833 357306057 /nfs/dbraw/zinc/30/60/57/357306057.db2.gz ICQJTZNWDXLJGF-CQSZACIVSA-N 1 0 277.324 1.714 20 5 CDBDRO CCOc1cccc(NCC[NH2+]CCOC)c1[N+](=O)[O-] ZINC000135060415 357315050 /nfs/dbraw/zinc/31/50/50/357315050.db2.gz OKHBDZDOBRBFGY-UHFFFAOYSA-N 1 0 283.328 1.641 20 5 CDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000264448709 357318244 /nfs/dbraw/zinc/31/82/44/357318244.db2.gz SECSXGIDTULBFF-STQMWFEESA-N 1 0 296.323 1.055 20 5 CDBDRO CCc1ccc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000261902081 357340401 /nfs/dbraw/zinc/34/04/01/357340401.db2.gz WTPRYMPAOIJMFK-GHMZBOCLSA-N 1 0 291.351 1.967 20 5 CDBDRO CCCC[N@H+](CCCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000182131415 357411068 /nfs/dbraw/zinc/41/10/68/357411068.db2.gz LURDJFRMGOVOJU-UHFFFAOYSA-N 1 0 297.355 1.241 20 5 CDBDRO CC[NH+]1C[C@H](C)N(CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000331329229 357443243 /nfs/dbraw/zinc/44/32/43/357443243.db2.gz HBUNTWBKUNVHOS-RYUDHWBXSA-N 1 0 281.360 1.206 20 5 CDBDRO CCc1n[nH]c(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000185733365 357571636 /nfs/dbraw/zinc/57/16/36/357571636.db2.gz LLUPTSOCBPEAJA-VIFPVBQESA-N 1 0 295.343 1.047 20 5 CDBDRO Cc1cc(N2CCC([C@H](C)[NH3+])CC2)ncc1[N+](=O)[O-] ZINC000092027696 357726118 /nfs/dbraw/zinc/72/61/18/357726118.db2.gz PHWMVLWOVFTZMC-JTQLQIEISA-N 1 0 264.329 1.862 20 5 CDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408070036 357805084 /nfs/dbraw/zinc/80/50/84/357805084.db2.gz DSQOQLKCFHHPPE-JQWIXIFHSA-N 1 0 292.339 1.622 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135244657 357814227 /nfs/dbraw/zinc/81/42/27/357814227.db2.gz LZMSGLSONFFOGV-JTQLQIEISA-N 1 0 283.303 1.981 20 5 CDBDRO CSC[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000188217839 357861312 /nfs/dbraw/zinc/86/13/12/357861312.db2.gz AEJMJBCGNPJMSR-SKDRFNHKSA-N 1 0 270.354 1.969 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H](C)C[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000294384195 199019106 /nfs/dbraw/zinc/01/91/06/199019106.db2.gz WDRGRZHFPRSAQR-SNVBAGLBSA-N 1 0 294.355 1.413 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188366673 357885594 /nfs/dbraw/zinc/88/55/94/357885594.db2.gz CPSOTDYMQNTFLO-WDEREUQCSA-N 1 0 281.287 1.253 20 5 CDBDRO C[C@@H](O)C[NH+]1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000189355180 357999784 /nfs/dbraw/zinc/99/97/84/357999784.db2.gz JUOFEPWEAAMXKT-CYBMUJFWSA-N 1 0 293.367 1.136 20 5 CDBDRO Cc1cnc(N(C)C2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000361273558 358133729 /nfs/dbraw/zinc/13/37/29/358133729.db2.gz UCQDPTQIIPFTAS-UHFFFAOYSA-N 1 0 294.355 1.191 20 5 CDBDRO C[C@H](CO)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439929 358235547 /nfs/dbraw/zinc/23/55/47/358235547.db2.gz CAARRLLPAOEDGY-QMMMGPOBSA-N 1 0 258.705 1.966 20 5 CDBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000294844944 199209462 /nfs/dbraw/zinc/20/94/62/199209462.db2.gz MVMPTROYZHKDDC-LBPRGKRZSA-N 1 0 277.324 1.857 20 5 CDBDRO [NH3+]C1(CC(=O)NCCNc2ccccc2[N+](=O)[O-])CCC1 ZINC000150758121 358638297 /nfs/dbraw/zinc/63/82/97/358638297.db2.gz WBJVPLIOHCGARM-UHFFFAOYSA-N 1 0 292.339 1.394 20 5 CDBDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000227968144 358667319 /nfs/dbraw/zinc/66/73/19/358667319.db2.gz FKWRTYOUMZGVQS-GXFFZTMASA-N 1 0 266.297 1.224 20 5 CDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000338071424 358735665 /nfs/dbraw/zinc/73/56/65/358735665.db2.gz CXKDTBJYFOBJMX-SNVBAGLBSA-N 1 0 295.343 1.088 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000186717095 358817050 /nfs/dbraw/zinc/81/70/50/358817050.db2.gz RHSATQPWBBIGRA-LDYMZIIASA-N 1 0 297.742 1.976 20 5 CDBDRO C[C@@H]1CSC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000352815748 358940922 /nfs/dbraw/zinc/94/09/22/358940922.db2.gz NFGRUSVZIFRBKZ-MWLCHTKSSA-N 1 0 283.353 1.098 20 5 CDBDRO C[C@H]1CSC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000352815997 358940991 /nfs/dbraw/zinc/94/09/91/358940991.db2.gz MZCXEUSJFQIFDW-ONGXEEELSA-N 1 0 295.364 1.874 20 5 CDBDRO COc1cc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000450778291 359001288 /nfs/dbraw/zinc/00/12/88/359001288.db2.gz LTRRHNMWEXJOPB-GXFFZTMASA-N 1 0 277.324 1.744 20 5 CDBDRO Cc1ccc(CN2CCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000357958192 359163408 /nfs/dbraw/zinc/16/34/08/359163408.db2.gz AIFROEDGCDMXCC-GFCCVEGCSA-N 1 0 265.313 1.063 20 5 CDBDRO Cn1c(C(=O)NCCC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000338926937 359237243 /nfs/dbraw/zinc/23/72/43/359237243.db2.gz UOQICUVUUNEKJH-UHFFFAOYSA-N 1 0 294.355 1.395 20 5 CDBDRO COc1ccc(C[NH2+]CCn2cccn2)cc1[N+](=O)[O-] ZINC000049076809 359251089 /nfs/dbraw/zinc/25/10/89/359251089.db2.gz NKFXAOGSJGHVOT-UHFFFAOYSA-N 1 0 276.296 1.590 20 5 CDBDRO Cc1nn(C)c(NC[C@@H](C)[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000227009936 359339104 /nfs/dbraw/zinc/33/91/04/359339104.db2.gz IYPYDEUPYWZYSA-MRVPVSSYSA-N 1 0 267.333 1.531 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)c1csc([N+](=O)[O-])c1 ZINC000130352659 359761996 /nfs/dbraw/zinc/76/19/96/359761996.db2.gz OKADLERHYGSCIU-SECBINFHSA-N 1 0 271.342 1.904 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H](C[NH3+])C1 ZINC000235349311 360038460 /nfs/dbraw/zinc/03/84/60/360038460.db2.gz SIIKNHODAIICJC-ZJUUUORDSA-N 1 0 280.328 1.133 20 5 CDBDRO Cc1cnc(N[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000382413237 360294694 /nfs/dbraw/zinc/29/46/94/360294694.db2.gz FUVSFRXHXUUQGU-UWVGGRQHSA-N 1 0 250.302 1.980 20 5 CDBDRO Cc1cccc(C(=O)N(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000177685207 189063595 /nfs/dbraw/zinc/06/35/95/189063595.db2.gz UINXBMHLJDCPRQ-UHFFFAOYSA-N 1 0 265.313 1.537 20 5 CDBDRO CC[NH+](CC)CCOCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000348155573 360521478 /nfs/dbraw/zinc/52/14/78/360521478.db2.gz GPIMQGDYDAMDGU-UHFFFAOYSA-N 1 0 299.327 1.276 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000044540930 360505260 /nfs/dbraw/zinc/50/52/60/360505260.db2.gz IKFZJWHNUWFAIF-LBPRGKRZSA-N 1 0 263.297 1.548 20 5 CDBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000178863830 189151350 /nfs/dbraw/zinc/15/13/50/189151350.db2.gz GGNVDABTDRVJOK-SECBINFHSA-N 1 0 292.339 1.376 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000177528784 238310551 /nfs/dbraw/zinc/31/05/51/238310551.db2.gz NSFCLAQWBJOQLK-VHSXEESVSA-N 1 0 281.312 1.790 20 5 CDBDRO Cc1cc(C(=O)NCCCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000299305665 361292176 /nfs/dbraw/zinc/29/21/76/361292176.db2.gz DGGMOWUWGDEMNA-UHFFFAOYSA-N 1 0 279.340 1.975 20 5 CDBDRO Cc1ccc(NC[C@H](C)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000080611186 361314438 /nfs/dbraw/zinc/31/44/38/361314438.db2.gz FOAGTDBRBVYNCE-ZDUSSCGKSA-N 1 0 292.383 1.951 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])c2nonc21 ZINC000274477225 361534666 /nfs/dbraw/zinc/53/46/66/361534666.db2.gz NMCORCGOBBHJIA-UHFFFAOYSA-N 1 0 291.311 1.661 20 5 CDBDRO C[C@@H](CNc1sccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000301987642 201288779 /nfs/dbraw/zinc/28/87/79/201288779.db2.gz KXXVZWLBTSUZNH-JTQLQIEISA-N 1 0 284.385 1.704 20 5 CDBDRO C[C@H]([N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000295211003 239302936 /nfs/dbraw/zinc/30/29/36/239302936.db2.gz UQWBUFKBMFAJNQ-GXFFZTMASA-N 1 0 282.340 1.719 20 5 CDBDRO Cn1cc([N+](=O)[O-])c(N2CC[C@](C[NH3+])(C(C)(C)C)C2)n1 ZINC001579970492 1172312249 /nfs/dbraw/zinc/31/22/49/1172312249.db2.gz XZTVROPOVRNOJD-CYBMUJFWSA-N 1 0 281.360 1.530 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000580523803 363917968 /nfs/dbraw/zinc/91/79/68/363917968.db2.gz VSWGKUSMFUDBCT-NSHDSACASA-N 1 0 294.355 1.395 20 5 CDBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000367598839 364001044 /nfs/dbraw/zinc/00/10/44/364001044.db2.gz ACJHFWHYXNUQAU-FUVSOYRFSA-N 1 0 292.339 1.147 20 5 CDBDRO Cc1ccc(C(=O)N[C@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000295299355 364010907 /nfs/dbraw/zinc/01/09/07/364010907.db2.gz UZPMEJOZKQDSPW-SNVBAGLBSA-N 1 0 265.313 1.760 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000367651689 364033255 /nfs/dbraw/zinc/03/32/55/364033255.db2.gz VMDNPGAPWVDSBP-SECBINFHSA-N 1 0 278.312 1.049 20 5 CDBDRO Cc1nn(C)c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000107830642 364887737 /nfs/dbraw/zinc/88/77/37/364887737.db2.gz ARGUKYFTKHOYME-GHMZBOCLSA-N 1 0 279.344 1.675 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nc1 ZINC000110490042 365051414 /nfs/dbraw/zinc/05/14/14/365051414.db2.gz FNFYPADALJCYQX-VXGBXAGGSA-N 1 0 278.312 1.265 20 5 CDBDRO COC[C@](C)([NH3+])CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413141962 240539854 /nfs/dbraw/zinc/53/98/54/240539854.db2.gz NCUULFPANQBERQ-CQSZACIVSA-N 1 0 290.323 1.919 20 5 CDBDRO C[C@H]1CCC[C@H](CO)[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000270507536 366891097 /nfs/dbraw/zinc/89/10/97/366891097.db2.gz RDQTXXRJTFZRPD-WDEREUQCSA-N 1 0 268.317 1.027 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000414697137 241333297 /nfs/dbraw/zinc/33/32/97/241333297.db2.gz HZCZWRZCPAGWRS-JTQLQIEISA-N 1 0 278.312 1.729 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000414797563 241392742 /nfs/dbraw/zinc/39/27/42/241392742.db2.gz ZJWLCTBQDQNDBG-RISCZKNCSA-N 1 0 291.351 1.787 20 5 CDBDRO C[C@H](NC(=O)/C=C/C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000272087667 367082046 /nfs/dbraw/zinc/08/20/46/367082046.db2.gz IMXNDBRNDDHWCB-LAHYYIKRSA-N 1 0 277.324 1.890 20 5 CDBDRO Cc1nc(N(C)C2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000348345510 367143287 /nfs/dbraw/zinc/14/32/87/367143287.db2.gz SJBSCGUUKDHZAM-UHFFFAOYSA-N 1 0 294.355 1.191 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@@H](C)O ZINC000386957683 367154253 /nfs/dbraw/zinc/15/42/53/367154253.db2.gz YFCOWLVMGDWOTH-DTWKUNHWSA-N 1 0 254.286 1.462 20 5 CDBDRO [NH3+]CC[C@@H](NCc1cccc([N+](=O)[O-])c1)C(F)F ZINC000414985967 241502699 /nfs/dbraw/zinc/50/26/99/241502699.db2.gz GPXWKHHNCQEDLR-SNVBAGLBSA-N 1 0 259.256 1.667 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c1[N+](=O)[O-] ZINC000094340226 367235013 /nfs/dbraw/zinc/23/50/13/367235013.db2.gz BKJFCDLMGKNEDF-CMPLNLGQSA-N 1 0 277.324 1.713 20 5 CDBDRO CC1(C)CCC[C@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000388868330 367717738 /nfs/dbraw/zinc/71/77/38/367717738.db2.gz IDSDQABPIXUESZ-WCQYABFASA-N 1 0 296.371 1.568 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCC(N)=O ZINC000348832651 368070000 /nfs/dbraw/zinc/07/00/00/368070000.db2.gz KEQTYWATWHWZFD-DHZHZOJOSA-N 1 0 277.324 1.805 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H]2CN(C)CCO2)c1 ZINC000090794670 368132857 /nfs/dbraw/zinc/13/28/57/368132857.db2.gz INPVRJYCTNNALG-LLVKDONJSA-N 1 0 281.312 1.346 20 5 CDBDRO Nc1nc(N[C@H]2CC[N@@H+](C3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000301190522 368334605 /nfs/dbraw/zinc/33/46/05/368334605.db2.gz MARSGUPXATYZMG-VIFPVBQESA-N 1 0 292.343 1.396 20 5 CDBDRO CCC[NH2+]CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000418479983 243128320 /nfs/dbraw/zinc/12/83/20/243128320.db2.gz PWNZGOXRLMOMIM-UHFFFAOYSA-N 1 0 294.355 1.736 20 5 CDBDRO CCCN(c1ncc([N+](=O)[O-])c(C)n1)[C@H]1CC[NH2+]C1 ZINC000420223497 243944227 /nfs/dbraw/zinc/94/42/27/243944227.db2.gz VDSWXIGKZJVIII-JTQLQIEISA-N 1 0 265.317 1.272 20 5 CDBDRO C[C@@H]1[C@H](C)N(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000330636099 203064689 /nfs/dbraw/zinc/06/46/89/203064689.db2.gz UWTZTBWHBPZOTR-NEPJUHHUSA-N 1 0 291.351 1.688 20 5 CDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000295195828 284156395 /nfs/dbraw/zinc/15/63/95/284156395.db2.gz JPGCIXOKIHPPIZ-IWIIMEHWSA-N 1 0 287.275 1.289 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000330907245 203376581 /nfs/dbraw/zinc/37/65/81/203376581.db2.gz NRQKSBWSTPSNNV-BDAKNGLRSA-N 1 0 283.353 1.869 20 5 CDBDRO C[C@@H]([NH2+]CCS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000037740716 370037218 /nfs/dbraw/zinc/03/72/18/370037218.db2.gz NTTORRTWYTZIKY-SECBINFHSA-N 1 0 272.326 1.290 20 5 CDBDRO Cc1ccc(C[NH2+]CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000037740843 370038275 /nfs/dbraw/zinc/03/82/75/370038275.db2.gz FEYURWWEVXGAOL-UHFFFAOYSA-N 1 0 272.326 1.037 20 5 CDBDRO Cc1sc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000170867468 369980398 /nfs/dbraw/zinc/98/03/98/369980398.db2.gz NJEDTRLYSZFBSV-VIFPVBQESA-N 1 0 283.353 1.741 20 5 CDBDRO Cc1nn(CC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000295396650 370164505 /nfs/dbraw/zinc/16/45/05/370164505.db2.gz RLWNJIMIZPTCLG-LLVKDONJSA-N 1 0 252.318 1.974 20 5 CDBDRO C[NH2+]CCN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414822377 370443455 /nfs/dbraw/zinc/44/34/55/370443455.db2.gz GIJSLUNLLUYFCO-JTQLQIEISA-N 1 0 280.328 1.121 20 5 CDBDRO Cc1nc(N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)ncc1[N+](=O)[O-] ZINC000295626564 370529752 /nfs/dbraw/zinc/52/97/52/370529752.db2.gz BGUOMPXBYWLTHH-VXGBXAGGSA-N 1 0 291.355 1.756 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cc(F)ncc2F)c1 ZINC000295744759 370617162 /nfs/dbraw/zinc/61/71/62/370617162.db2.gz PAWUIWIEUKBVDN-UHFFFAOYSA-N 1 0 283.238 1.254 20 5 CDBDRO C[C@@H](C[NH3+])NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414937640 371144616 /nfs/dbraw/zinc/14/46/16/371144616.db2.gz DKHVHJZRKMNJIV-JTQLQIEISA-N 1 0 289.339 1.432 20 5 CDBDRO CN1CC[NH2+]C[C@@H]1CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414971850 371128891 /nfs/dbraw/zinc/12/88/91/371128891.db2.gz WXDVRRHDOKNZFC-YVZNUBBCSA-N 1 0 290.367 1.101 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000422889311 245375041 /nfs/dbraw/zinc/37/50/41/245375041.db2.gz FRRIUPGXGYXUQH-CYBMUJFWSA-N 1 0 291.351 1.656 20 5 CDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000266317827 372171995 /nfs/dbraw/zinc/17/19/95/372171995.db2.gz PQCWIWFNFSUNLY-SNVBAGLBSA-N 1 0 281.312 1.744 20 5 CDBDRO COC[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269647257 373301621 /nfs/dbraw/zinc/30/16/21/373301621.db2.gz LDXRCDSKLBLJJS-WFASDCNBSA-N 1 0 294.351 1.987 20 5 CDBDRO Cc1ccc(C[NH2+]CCN2CCCOCC2)cc1[N+](=O)[O-] ZINC000289550874 197399566 /nfs/dbraw/zinc/39/95/66/197399566.db2.gz XQOPKZLCYQXULD-UHFFFAOYSA-N 1 0 293.367 1.715 20 5 CDBDRO Cc1cc(NCC[NH+]2CCC(O)CC2)c(F)cc1[N+](=O)[O-] ZINC000296087110 373752867 /nfs/dbraw/zinc/75/28/67/373752867.db2.gz SXJJMDVMROTITO-UHFFFAOYSA-N 1 0 297.330 1.911 20 5 CDBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000347099036 373754712 /nfs/dbraw/zinc/75/47/12/373754712.db2.gz JDCZQDJXYVXTNO-CMPLNLGQSA-N 1 0 278.308 1.978 20 5 CDBDRO CCc1nn(C)c(NCC[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000091559888 374039895 /nfs/dbraw/zinc/03/98/95/374039895.db2.gz IKHFGCGYFVOAET-UHFFFAOYSA-N 1 0 269.349 1.643 20 5 CDBDRO CC(C)[C@@H](C[NH3+])C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423731710 246010491 /nfs/dbraw/zinc/01/04/91/246010491.db2.gz YCKMWIBXQQIESC-SNVBAGLBSA-N 1 0 291.311 1.062 20 5 CDBDRO COCCC[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065537971 374273939 /nfs/dbraw/zinc/27/39/39/374273939.db2.gz UFOCWPZOSBGAJR-UHFFFAOYSA-N 1 0 268.313 1.942 20 5 CDBDRO Cc1nc(N[C@@H](C)[C@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000420156593 374289130 /nfs/dbraw/zinc/28/91/30/374289130.db2.gz FNHCHLFGXZEURA-WPRPVWTQSA-N 1 0 265.317 1.493 20 5 CDBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1csc([N+](=O)[O-])c1 ZINC000368645771 374321316 /nfs/dbraw/zinc/32/13/16/374321316.db2.gz HKAFETCVTZVGMN-VIFPVBQESA-N 1 0 281.337 1.528 20 5 CDBDRO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000078461574 374313737 /nfs/dbraw/zinc/31/37/37/374313737.db2.gz WCGFGTDZRFWNHT-HNNXBMFYSA-N 1 0 291.351 1.896 20 5 CDBDRO Nc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000375695961 374507557 /nfs/dbraw/zinc/50/75/57/374507557.db2.gz GFNRLSJQHRXLEE-NEPJUHHUSA-N 1 0 292.339 1.452 20 5 CDBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000081555001 374519186 /nfs/dbraw/zinc/51/91/86/374519186.db2.gz OVEDZUSZANMJRW-SNVBAGLBSA-N 1 0 265.313 1.409 20 5 CDBDRO Cc1ccc(NC(=O)CC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000070314841 374661012 /nfs/dbraw/zinc/66/10/12/374661012.db2.gz LXTUSPWUAFHTJK-VIFPVBQESA-N 1 0 251.286 1.969 20 5 CDBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000275038314 374687485 /nfs/dbraw/zinc/68/74/85/374687485.db2.gz JPPKKNMXOMXBIS-JTQLQIEISA-N 1 0 297.359 1.074 20 5 CDBDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000449450305 374810119 /nfs/dbraw/zinc/81/01/19/374810119.db2.gz BBNZVOXPVNEOEX-TZMCWYRMSA-N 1 0 280.324 1.736 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000449642237 374823179 /nfs/dbraw/zinc/82/31/79/374823179.db2.gz FYBFXFZXQWEACP-IUCAKERBSA-N 1 0 266.301 1.170 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000277385005 374784519 /nfs/dbraw/zinc/78/45/19/374784519.db2.gz FIVJGLABJJIFNX-UHFFFAOYSA-N 1 0 293.323 1.381 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000330582628 374868888 /nfs/dbraw/zinc/86/88/88/374868888.db2.gz KAZKGVDRCMWGIR-CHWSQXEVSA-N 1 0 293.367 1.998 20 5 CDBDRO CC[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331262198 374918309 /nfs/dbraw/zinc/91/83/09/374918309.db2.gz CVEBOFNILCVOGJ-ZYHUDNBSSA-N 1 0 268.317 1.027 20 5 CDBDRO CC(C)[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331246087 374915057 /nfs/dbraw/zinc/91/50/57/374915057.db2.gz MCHRFLQFUKGXMN-OLZOCXBDSA-N 1 0 282.344 1.273 20 5 CDBDRO Cc1ccccc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000037894962 374997085 /nfs/dbraw/zinc/99/70/85/374997085.db2.gz FEJKQMNCOATVNT-CQSZACIVSA-N 1 0 290.323 1.250 20 5 CDBDRO COC[C@@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)OC ZINC000227708047 375596123 /nfs/dbraw/zinc/59/61/23/375596123.db2.gz ZKDOVMDUVMZLMT-GFCCVEGCSA-N 1 0 268.313 1.654 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCC1 ZINC000353363122 375602114 /nfs/dbraw/zinc/60/21/14/375602114.db2.gz KVWSZYCFINFMAP-UHFFFAOYSA-N 1 0 295.314 1.948 20 5 CDBDRO C[NH+](C)C[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1F ZINC000133011444 375660506 /nfs/dbraw/zinc/66/05/06/375660506.db2.gz VUZVIVHMXKTNPN-GFCCVEGCSA-N 1 0 271.292 1.458 20 5 CDBDRO CC(C)C[C@H]([NH3+])C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354073738 375673236 /nfs/dbraw/zinc/67/32/36/375673236.db2.gz QXLULQIBZFAPCH-JTQLQIEISA-N 1 0 291.311 1.205 20 5 CDBDRO Cc1ccc(CNC[C@@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000228726727 375799507 /nfs/dbraw/zinc/79/95/07/375799507.db2.gz QFNRHTLSWLWILB-CQSZACIVSA-N 1 0 281.356 1.305 20 5 CDBDRO CCOC1(C)CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000428718212 247353854 /nfs/dbraw/zinc/35/38/54/247353854.db2.gz MGXDDUQOLMKCOG-UHFFFAOYSA-N 1 0 282.344 1.682 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357076604 375882357 /nfs/dbraw/zinc/88/23/57/375882357.db2.gz KDGBIVXCZPPUON-GHMZBOCLSA-N 1 0 279.315 1.775 20 5 CDBDRO C[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)[NH+](C)C ZINC000347425740 376129219 /nfs/dbraw/zinc/12/92/19/376129219.db2.gz KLPHOBYHEHLWAK-SECBINFHSA-N 1 0 275.312 1.322 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@]2(O)CCSC2)cc1[N+](=O)[O-] ZINC000267060544 376616673 /nfs/dbraw/zinc/61/66/73/376616673.db2.gz PFCFGXUEOYMISJ-CYBMUJFWSA-N 1 0 282.365 1.861 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435230448 248158154 /nfs/dbraw/zinc/15/81/54/248158154.db2.gz CITJXPJWGBDMRE-NSHDSACASA-N 1 0 290.323 1.265 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435239266 248159975 /nfs/dbraw/zinc/15/99/75/248159975.db2.gz VSQWVKIFOWBDSW-SECBINFHSA-N 1 0 281.337 1.623 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CO)CCOCC2)c(F)c1 ZINC000267066895 376799240 /nfs/dbraw/zinc/79/92/40/376799240.db2.gz UVNPLDYLADHORE-UHFFFAOYSA-N 1 0 284.287 1.365 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000189313483 377228716 /nfs/dbraw/zinc/22/87/16/377228716.db2.gz GTRUCNVJMUYXJL-UZPJXDOOSA-N 1 0 289.335 1.865 20 5 CDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(C)(C)C[NH+](C)C ZINC000173053142 377845395 /nfs/dbraw/zinc/84/53/95/377845395.db2.gz KIZQCJANQIFGHU-VIFPVBQESA-N 1 0 283.328 1.894 20 5 CDBDRO C[NH+](C)C[C@@](C)(O)CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000278512661 194021085 /nfs/dbraw/zinc/02/10/85/194021085.db2.gz YEKYKSSLLUHFGR-AWEZNQCLSA-N 1 0 294.355 1.287 20 5 CDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000069847184 378915225 /nfs/dbraw/zinc/91/52/25/378915225.db2.gz XKMCTKSWKMCYLV-LBPRGKRZSA-N 1 0 278.356 1.643 20 5 CDBDRO CC(C)(NC(=O)[C@H]1CC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000444210556 250102687 /nfs/dbraw/zinc/10/26/87/250102687.db2.gz HEIVUGFXZNNSGN-LLVKDONJSA-N 1 0 263.297 1.308 20 5 CDBDRO CCC[C@@]1(CO)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000444767743 250184192 /nfs/dbraw/zinc/18/41/92/250184192.db2.gz ULYOQJRUGYFFSX-ZDUSSCGKSA-N 1 0 282.344 1.418 20 5 CDBDRO C[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000278768548 194147103 /nfs/dbraw/zinc/14/71/03/194147103.db2.gz LBGSAFVJODXWRJ-COPLHBTASA-N 1 0 280.324 1.785 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1OC[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC001580874955 1172556637 /nfs/dbraw/zinc/55/66/37/1172556637.db2.gz QQEATZYFUKNONL-FZMZJTMJSA-N 1 0 296.298 1.881 20 5 CDBDRO COC[C@@H](O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449157587 250725311 /nfs/dbraw/zinc/72/53/11/250725311.db2.gz QQDNVFVLUUCVOE-PWSUYJOCSA-N 1 0 268.313 1.123 20 5 CDBDRO Cc1sc(C(=O)N(C)C2(C[NH3+])CCC2)cc1[N+](=O)[O-] ZINC000449676225 250964021 /nfs/dbraw/zinc/96/40/21/250964021.db2.gz FXMGNWXYKHJHMB-UHFFFAOYSA-N 1 0 283.353 1.918 20 5 CDBDRO Cc1nc(NCC[N@H+]2[C@H](C)CCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000450326720 251225201 /nfs/dbraw/zinc/22/52/01/251225201.db2.gz ZGADVFQAFOCLIS-PHIMTYICSA-N 1 0 293.371 1.790 20 5 CDBDRO Cc1nc(N[C@H]2CCC[N@H+](C)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000450435727 251282510 /nfs/dbraw/zinc/28/25/10/251282510.db2.gz IDSXQOUFLKRVNY-ZJUUUORDSA-N 1 0 265.317 1.588 20 5 CDBDRO CCC[C@@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450557892 251339639 /nfs/dbraw/zinc/33/96/39/251339639.db2.gz BZAICDLEPHMVPN-WCQYABFASA-N 1 0 294.355 1.637 20 5 CDBDRO [NH3+]C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000382447606 412954681 /nfs/dbraw/zinc/95/46/81/412954681.db2.gz KLOBXMSCMRQWAH-VHSXEESVSA-N 1 0 299.352 1.001 20 5 CDBDRO Cn1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cn1 ZINC000289379526 197320358 /nfs/dbraw/zinc/32/03/58/197320358.db2.gz BRHWAUICVCMRCA-UHFFFAOYSA-N 1 0 275.312 1.294 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493100002 253370052 /nfs/dbraw/zinc/37/00/52/253370052.db2.gz AFOWDOCFYNYCLG-AZVKUDOFSA-N 1 0 281.287 1.601 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289312881 197294125 /nfs/dbraw/zinc/29/41/25/197294125.db2.gz TYKSAESHRGQSNY-CYBMUJFWSA-N 1 0 279.296 1.404 20 5 CDBDRO C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2N)CCC[NH2+]C1 ZINC000285998294 390188368 /nfs/dbraw/zinc/18/83/68/390188368.db2.gz IOOCXZXRDJBEAN-CQSZACIVSA-N 1 0 292.339 1.297 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000320598592 390473814 /nfs/dbraw/zinc/47/38/14/390473814.db2.gz WWQLMFIDDNFJQR-RKDXNWHRSA-N 1 0 251.286 1.450 20 5 CDBDRO CCc1nn(C)c(N2CC[NH+]([C@@H](C)CC)CC2)c1[N+](=O)[O-] ZINC000450858697 390564202 /nfs/dbraw/zinc/56/42/02/390564202.db2.gz LTUZLENGBGUXHC-NSHDSACASA-N 1 0 295.387 1.811 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000262310870 390634107 /nfs/dbraw/zinc/63/41/07/390634107.db2.gz ALWXCUBRQKOGRG-MRVPVSSYSA-N 1 0 269.276 1.462 20 5 CDBDRO Cc1ccc(C[N@@H+](C[C@H](O)CO)C(C)C)cc1[N+](=O)[O-] ZINC000421400391 390636333 /nfs/dbraw/zinc/63/63/33/390636333.db2.gz BSUVIRGTERHXET-ZDUSSCGKSA-N 1 0 282.340 1.467 20 5 CDBDRO CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283849559 195931618 /nfs/dbraw/zinc/93/16/18/195931618.db2.gz BDSGBXZFISGMJJ-GXSJLCMTSA-N 1 0 267.329 1.989 20 5 CDBDRO CC(C)[C@@](C)([NH2+]Cc1ccccc1[N+](=O)[O-])C(N)=O ZINC000289326680 390813279 /nfs/dbraw/zinc/81/32/79/390813279.db2.gz KOTDXXCODHTILD-CYBMUJFWSA-N 1 0 265.313 1.584 20 5 CDBDRO COC[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])OC ZINC000227705184 390923945 /nfs/dbraw/zinc/92/39/45/390923945.db2.gz GPULQNZVYOCCBX-NSHDSACASA-N 1 0 254.286 1.346 20 5 CDBDRO O=[N+]([O-])c1ccc(CNC[C@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000415093416 391017003 /nfs/dbraw/zinc/01/70/03/391017003.db2.gz IGFRXJFMJOGDCK-LLVKDONJSA-N 1 0 285.731 1.326 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000449639026 391124920 /nfs/dbraw/zinc/12/49/20/391124920.db2.gz NNCIOAVRLUPNGM-ZJUUUORDSA-N 1 0 295.314 1.981 20 5 CDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000517443815 391140906 /nfs/dbraw/zinc/14/09/06/391140906.db2.gz GMLDTOARKNQJLH-SNVBAGLBSA-N 1 0 280.328 1.005 20 5 CDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000440636830 391431614 /nfs/dbraw/zinc/43/16/14/391431614.db2.gz GKYIAORIRNNVMR-LLVKDONJSA-N 1 0 298.343 1.010 20 5 CDBDRO C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000269695805 391467200 /nfs/dbraw/zinc/46/72/00/391467200.db2.gz WPJSUIDADXMGFT-MISXGVKJSA-N 1 0 280.324 1.737 20 5 CDBDRO CCC[NH2+]CCNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000415500354 391467677 /nfs/dbraw/zinc/46/76/77/391467677.db2.gz LJASGGSPWORVPW-UHFFFAOYSA-N 1 0 296.327 1.725 20 5 CDBDRO C[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000415631378 391470254 /nfs/dbraw/zinc/47/02/54/391470254.db2.gz MPLPMEHLPZMEDC-BDAKNGLRSA-N 1 0 296.302 1.948 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269150292 391541455 /nfs/dbraw/zinc/54/14/55/391541455.db2.gz NDOMNDNNTVQCHQ-SNVBAGLBSA-N 1 0 289.291 1.823 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cn2)C1 ZINC000450947116 391494097 /nfs/dbraw/zinc/49/40/97/391494097.db2.gz BCKGQNKJXUPJHJ-SNVBAGLBSA-N 1 0 265.317 1.304 20 5 CDBDRO C[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000449589017 391632726 /nfs/dbraw/zinc/63/27/26/391632726.db2.gz JMWRJWJOXJTBHS-AEJSXWLSSA-N 1 0 297.380 1.927 20 5 CDBDRO CSc1ccc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000449596579 391648895 /nfs/dbraw/zinc/64/88/95/391648895.db2.gz XTYMDYVTMGFNOH-SFYZADRCSA-N 1 0 283.353 1.782 20 5 CDBDRO C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000341921787 130131259 /nfs/dbraw/zinc/13/12/59/130131259.db2.gz UZUJNGGFZIHESV-SUNKGSAMSA-N 1 0 291.351 1.970 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CCCC[NH3+] ZINC000494722311 391900623 /nfs/dbraw/zinc/90/06/23/391900623.db2.gz YWZUXOPSKKSGMZ-SNVBAGLBSA-N 1 0 295.339 1.851 20 5 CDBDRO C[C@@H]1[C@H](O)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000590762100 391922702 /nfs/dbraw/zinc/92/27/02/391922702.db2.gz AAXYSUWMOUOWIR-ZWNOBZJWSA-N 1 0 293.323 1.013 20 5 CDBDRO CO[C@@H]1C[NH+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1OC ZINC000487988239 391930168 /nfs/dbraw/zinc/93/01/68/391930168.db2.gz NFVSRKWIHRYKJI-ZIAGYGMSSA-N 1 0 296.323 1.319 20 5 CDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[NH2+]C1 ZINC000237995116 131072127 /nfs/dbraw/zinc/07/21/27/131072127.db2.gz SAWKRRCXDMRBRC-LLVKDONJSA-N 1 0 293.323 1.089 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[NH2+]C1 ZINC000238067407 131075187 /nfs/dbraw/zinc/07/51/87/131075187.db2.gz XUWDJCMNMOFZNJ-CYBMUJFWSA-N 1 0 291.351 1.643 20 5 CDBDRO O=C(CC1CC[NH2+]CC1)NCCc1ccccc1[N+](=O)[O-] ZINC000238138634 131077950 /nfs/dbraw/zinc/07/79/50/131077950.db2.gz YJYOVEFHEGRBNK-UHFFFAOYSA-N 1 0 291.351 1.643 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261586740 131154354 /nfs/dbraw/zinc/15/43/54/131154354.db2.gz JAPIATLFUVLEAP-LBPRGKRZSA-N 1 0 281.337 1.482 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000262555649 131232927 /nfs/dbraw/zinc/23/29/27/131232927.db2.gz XMYSIMMTPMRDBY-UHFFFAOYSA-N 1 0 292.339 1.636 20 5 CDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000262604256 131240225 /nfs/dbraw/zinc/24/02/25/131240225.db2.gz AXWNAWKRWASGRK-CYBMUJFWSA-N 1 0 280.328 1.280 20 5 CDBDRO C[C@@H]1[NH2+]CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000262816217 131264726 /nfs/dbraw/zinc/26/47/26/131264726.db2.gz RXKUDBGHQMBLKS-UWVGGRQHSA-N 1 0 263.297 1.417 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000262856834 131268427 /nfs/dbraw/zinc/26/84/27/131268427.db2.gz SYSRUJKZCQGUJE-BXKDBHETSA-N 1 0 263.297 1.323 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC(CC(N)=O)C1 ZINC000459634803 392496547 /nfs/dbraw/zinc/49/65/47/392496547.db2.gz SIHFUHWPEIIIGS-WZUFQYTHSA-N 1 0 289.335 1.805 20 5 CDBDRO C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459765654 392505656 /nfs/dbraw/zinc/50/56/56/392505656.db2.gz VLDOZNRZOFWWRO-SECBINFHSA-N 1 0 276.296 1.885 20 5 CDBDRO CO[C@H]1C[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000459783198 392507452 /nfs/dbraw/zinc/50/74/52/392507452.db2.gz ZNBROSGFXDKZRC-MNOVXSKESA-N 1 0 280.328 1.339 20 5 CDBDRO COCCOCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000267463594 131874648 /nfs/dbraw/zinc/87/46/48/131874648.db2.gz UAQCLZMFHPRKTB-UHFFFAOYSA-N 1 0 268.313 1.690 20 5 CDBDRO CC[C@@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)OC ZINC000419305933 392889375 /nfs/dbraw/zinc/88/93/75/392889375.db2.gz LYFVKXXXTASJJW-LBPRGKRZSA-N 1 0 282.344 1.853 20 5 CDBDRO C[C@H](C[NH3+])N(C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420193562 392902379 /nfs/dbraw/zinc/90/23/79/392902379.db2.gz UHUHGFCJHBLCDV-MRVPVSSYSA-N 1 0 277.284 1.428 20 5 CDBDRO COc1ccc(CNC(=O)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000269057192 132105278 /nfs/dbraw/zinc/10/52/78/132105278.db2.gz XWXXCORQMVRCLK-LLVKDONJSA-N 1 0 293.323 1.219 20 5 CDBDRO Cc1c(CC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000423587157 392964070 /nfs/dbraw/zinc/96/40/70/392964070.db2.gz FKBFUXLYVWPGLR-OLZOCXBDSA-N 1 0 291.351 1.832 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000036749297 392954581 /nfs/dbraw/zinc/95/45/81/392954581.db2.gz HAHWKJHLVJXVIT-SNVBAGLBSA-N 1 0 267.333 1.533 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000423620811 392965499 /nfs/dbraw/zinc/96/54/99/392965499.db2.gz WZIWTZNKUURHFC-SCZZXKLOSA-N 1 0 278.312 1.047 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000430198148 393091530 /nfs/dbraw/zinc/09/15/30/393091530.db2.gz YBSMTTRBDJPWLV-WDEREUQCSA-N 1 0 298.339 1.167 20 5 CDBDRO [NH3+]C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000430609768 393103134 /nfs/dbraw/zinc/10/31/34/393103134.db2.gz IGJGLGRJEWGARC-UHFFFAOYSA-N 1 0 276.296 1.659 20 5 CDBDRO C[N@@H+]1CC[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000531520068 393063050 /nfs/dbraw/zinc/06/30/50/393063050.db2.gz NRUGFWLELMAZLC-LBPRGKRZSA-N 1 0 289.335 1.431 20 5 CDBDRO Cc1sc(C(=O)N[C@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000449591468 393135556 /nfs/dbraw/zinc/13/55/56/393135556.db2.gz QNMIJOVSGQUUTG-NTSWFWBYSA-N 1 0 257.315 1.430 20 5 CDBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])s1 ZINC000449654269 393137377 /nfs/dbraw/zinc/13/73/77/393137377.db2.gz DRHZMHDEGNULGC-ZETCQYMHSA-N 1 0 291.279 1.383 20 5 CDBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCN1CCOCC1 ZINC000352550475 393225985 /nfs/dbraw/zinc/22/59/85/393225985.db2.gz NNWPMMRSUSBZII-UHFFFAOYSA-N 1 0 293.367 1.401 20 5 CDBDRO Cc1cc(N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000275431943 135106919 /nfs/dbraw/zinc/10/69/19/135106919.db2.gz VLHNSDWKNXXYJO-OLZOCXBDSA-N 1 0 293.367 1.795 20 5 CDBDRO Cc1nc(N2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000227211346 140182855 /nfs/dbraw/zinc/18/28/55/140182855.db2.gz DYDJQWSOUZGFAP-GXSJLCMTSA-N 1 0 264.329 1.862 20 5 CDBDRO Cc1c(CNC(=O)[C@H]2C[C@H](C)CC[NH2+]2)cccc1[N+](=O)[O-] ZINC000231856057 140220276 /nfs/dbraw/zinc/22/02/76/140220276.db2.gz FYDLMXPOUORDEG-ZWNOBZJWSA-N 1 0 291.351 1.908 20 5 CDBDRO Cn1c(C(=O)N[C@@H](C[NH3+])C2CCCC2)ccc1[N+](=O)[O-] ZINC000236080433 140239412 /nfs/dbraw/zinc/23/94/12/140239412.db2.gz NEHUYINUNFZCGI-JTQLQIEISA-N 1 0 280.328 1.181 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CCCC1 ZINC000236263630 140239806 /nfs/dbraw/zinc/23/98/06/140239806.db2.gz OEAAHQZEXMGZJE-SNVBAGLBSA-N 1 0 266.301 1.170 20 5 CDBDRO C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251882112 140313986 /nfs/dbraw/zinc/31/39/86/140313986.db2.gz UWNKNHTWSSNKBB-PSASIEDQSA-N 1 0 255.343 1.825 20 5 CDBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000251890652 140314487 /nfs/dbraw/zinc/31/44/87/140314487.db2.gz XAIUYSPUMBHSSP-GXFFZTMASA-N 1 0 250.298 1.798 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000261611047 140363403 /nfs/dbraw/zinc/36/34/03/140363403.db2.gz SKWCDYSMOWLVQL-MWLCHTKSSA-N 1 0 263.297 1.085 20 5 CDBDRO COC[C@@]1(CNC(=O)c2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000261698517 140376374 /nfs/dbraw/zinc/37/63/74/140376374.db2.gz NXSFHZJWMPCXEC-AWEZNQCLSA-N 1 0 293.323 1.093 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@H]2[NH2+]CCc3ccccc32)nc1 ZINC000261770086 140387161 /nfs/dbraw/zinc/38/71/61/140387161.db2.gz VVTIMMXFAVQXLT-CYBMUJFWSA-N 1 0 285.307 1.684 20 5 CDBDRO C[C@H](NC(=O)C[NH2+]CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000037766576 146828046 /nfs/dbraw/zinc/82/80/46/146828046.db2.gz RANCXPNYGJNIAU-JTQLQIEISA-N 1 0 277.324 1.772 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000135223289 397910194 /nfs/dbraw/zinc/91/01/94/397910194.db2.gz FRVGAZMGBNPJHR-LBPRGKRZSA-N 1 0 277.324 1.727 20 5 CDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000127718718 147568518 /nfs/dbraw/zinc/56/85/18/147568518.db2.gz BKSMNOIITJJJPD-ZDUSSCGKSA-N 1 0 293.367 1.969 20 5 CDBDRO C[C@H](O)C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000176226249 148028480 /nfs/dbraw/zinc/02/84/80/148028480.db2.gz JCXZQEJCFIGJOP-LBPRGKRZSA-N 1 0 296.371 1.807 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000262078205 149010792 /nfs/dbraw/zinc/01/07/92/149010792.db2.gz XKSKKDKOYBFXPU-WDEREUQCSA-N 1 0 293.323 1.169 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000262763071 149111929 /nfs/dbraw/zinc/11/19/29/149111929.db2.gz IULFBGWWZARNJO-WDEREUQCSA-N 1 0 292.339 1.216 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000310788738 149202434 /nfs/dbraw/zinc/20/24/34/149202434.db2.gz UDJQHMDMRXIBAV-SSDOTTSWSA-N 1 0 271.704 1.715 20 5 CDBDRO CC(C)[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000311974339 149224676 /nfs/dbraw/zinc/22/46/76/149224676.db2.gz KLKBVMVXRFUYLE-CYBMUJFWSA-N 1 0 265.313 1.584 20 5 CDBDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000342997429 151988484 /nfs/dbraw/zinc/98/84/84/151988484.db2.gz FUALUFYEVRZOJS-FZMZJTMJSA-N 1 0 291.351 1.451 20 5 CDBDRO CCC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000343992542 152381366 /nfs/dbraw/zinc/38/13/66/152381366.db2.gz YHVPKQFUFNKVEU-NSHDSACASA-N 1 0 264.329 1.698 20 5 CDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[NH+]1CCC(C)CC1 ZINC000346420526 153179129 /nfs/dbraw/zinc/17/91/29/153179129.db2.gz RYQQFNHSOHJRBB-LLVKDONJSA-N 1 0 294.355 1.773 20 5 CDBDRO [NH3+]CCN(CC[C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000348924199 154007757 /nfs/dbraw/zinc/00/77/57/154007757.db2.gz VPWPQCJQKPBDMX-LBPRGKRZSA-N 1 0 279.340 1.787 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000375251570 160357244 /nfs/dbraw/zinc/35/72/44/160357244.db2.gz XGBJZBFMFIINMK-DGCLKSJQSA-N 1 0 261.281 1.533 20 5 CDBDRO CCCC[C@@H]([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000353436617 155851730 /nfs/dbraw/zinc/85/17/30/155851730.db2.gz HVRNNEWKVQWEHU-GFCCVEGCSA-N 1 0 295.339 1.737 20 5 CDBDRO C[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000354042770 156237263 /nfs/dbraw/zinc/23/72/63/156237263.db2.gz RMOVDZMOTNDGMG-WCQYABFASA-N 1 0 296.371 1.520 20 5 CDBDRO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1CO ZINC000362073427 159060344 /nfs/dbraw/zinc/06/03/44/159060344.db2.gz WKUFJKZGZKNLGZ-UWVGGRQHSA-N 1 0 291.307 1.796 20 5 CDBDRO Cc1c(C[N@H+]2C[C@H](C)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000362090280 159067848 /nfs/dbraw/zinc/06/78/48/159067848.db2.gz MUOXSACJUTVWCO-GXFFZTMASA-N 1 0 264.325 1.963 20 5 CDBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000362494188 159160387 /nfs/dbraw/zinc/16/03/87/159160387.db2.gz GXRKZRBTMRIUNV-NSHDSACASA-N 1 0 294.355 1.631 20 5 CDBDRO CSc1cccc(C(=O)NC[C@@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000362842950 159250284 /nfs/dbraw/zinc/25/02/84/159250284.db2.gz NBARHYBJZIKSIS-SECBINFHSA-N 1 0 297.380 1.997 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)c1[N+](=O)[O-] ZINC000261616309 292421233 /nfs/dbraw/zinc/42/12/33/292421233.db2.gz UBXDVPFDWBKGEK-KOLCDFICSA-N 1 0 263.297 1.465 20 5 CDBDRO CNC(=O)CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285236615 196228667 /nfs/dbraw/zinc/22/86/67/196228667.db2.gz GHZJQFMYRSKQOW-UHFFFAOYSA-N 1 0 265.313 1.205 20 5 CDBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285548305 196323762 /nfs/dbraw/zinc/32/37/62/196323762.db2.gz DTLZREFKTAXPHD-JTQLQIEISA-N 1 0 295.343 1.026 20 5 CDBDRO C[NH+](C)CCn1cc(Br)c([N+](=O)[O-])n1 ZINC000040517285 174307331 /nfs/dbraw/zinc/30/73/31/174307331.db2.gz LMRHJRRWAMQYRQ-UHFFFAOYSA-N 1 0 263.095 1.115 20 5 CDBDRO [NH3+]CCCCCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676246 174373770 /nfs/dbraw/zinc/37/37/70/174373770.db2.gz PCKJOXDAUYQNFO-UHFFFAOYSA-N 1 0 279.340 1.773 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000041031585 174455416 /nfs/dbraw/zinc/45/54/16/174455416.db2.gz UOKCFYOGXMEVNU-SNVBAGLBSA-N 1 0 263.297 1.467 20 5 CDBDRO Cc1cccc(C(=O)NC[C@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC000044491733 175180827 /nfs/dbraw/zinc/18/08/27/175180827.db2.gz DVVUPVRFZSAGGO-LLVKDONJSA-N 1 0 277.324 1.775 20 5 CDBDRO Cc1ccc(C(=O)NCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000044503683 175186613 /nfs/dbraw/zinc/18/66/13/175186613.db2.gz QEZZANXCYOTPIH-UHFFFAOYSA-N 1 0 277.324 1.633 20 5 CDBDRO [NH3+]CC1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000044512456 175188406 /nfs/dbraw/zinc/18/84/06/175188406.db2.gz XXAWWULRNJRCEN-UHFFFAOYSA-N 1 0 281.287 1.545 20 5 CDBDRO Cc1c(C(=O)N[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000071397085 176150743 /nfs/dbraw/zinc/15/07/43/176150743.db2.gz XGPKKLUEYKPSFS-JTQLQIEISA-N 1 0 263.297 1.385 20 5 CDBDRO CCOc1ccc(C(=O)NC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000074535540 176580357 /nfs/dbraw/zinc/58/03/57/176580357.db2.gz GPZRVEXLXXBMFJ-UHFFFAOYSA-N 1 0 281.312 1.461 20 5 CDBDRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000078639344 177363483 /nfs/dbraw/zinc/36/34/83/177363483.db2.gz LFZUOMZXJHWBJD-VIFPVBQESA-N 1 0 272.326 1.118 20 5 CDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000078727878 177377683 /nfs/dbraw/zinc/37/76/83/177377683.db2.gz YENIGZXPBRQSDW-UHFFFAOYSA-N 1 0 268.313 1.676 20 5 CDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCC[C@H]1CCC[NH2+]1 ZINC000313470510 260297089 /nfs/dbraw/zinc/29/70/89/260297089.db2.gz XOWGOKVCOIZRNV-MEJMFZKBSA-N 1 0 289.335 1.866 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000525804902 262367411 /nfs/dbraw/zinc/36/74/11/262367411.db2.gz VPQZWSWIEFKBMU-LLVKDONJSA-N 1 0 291.351 1.975 20 5 CDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000415046914 263257992 /nfs/dbraw/zinc/25/79/92/263257992.db2.gz XXYYMESFLZRBES-IAZYJMLFSA-N 1 0 299.277 1.504 20 5 CDBDRO COC[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000265842779 270313014 /nfs/dbraw/zinc/31/30/14/270313014.db2.gz WXWWMKSTAJQXDN-GFCCVEGCSA-N 1 0 280.324 1.942 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000322643730 270331014 /nfs/dbraw/zinc/33/10/14/270331014.db2.gz CKDJSVZHZNASIM-VHSXEESVSA-N 1 0 265.313 1.770 20 5 CDBDRO Cc1c(CNC(=O)[C@H]([NH3+])C2CCC2)cccc1[N+](=O)[O-] ZINC000399026748 270367188 /nfs/dbraw/zinc/36/71/88/270367188.db2.gz KABBJDIPQADKCA-CYBMUJFWSA-N 1 0 277.324 1.647 20 5 CDBDRO CC[C@]1(C(C)C)C[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515467588 270441424 /nfs/dbraw/zinc/44/14/24/270441424.db2.gz DQIGZTALYYAZFF-MELADBBJSA-N 1 0 296.371 1.567 20 5 CDBDRO CC[C@H](CNc1c([N+](=O)[O-])c(C)nn1C)[NH+]1CCCC1 ZINC000301302508 273747145 /nfs/dbraw/zinc/74/71/45/273747145.db2.gz WAGGXCFIYXVLLJ-LLVKDONJSA-N 1 0 281.360 1.923 20 5 CDBDRO CC[C@H](CO)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000266197079 273747345 /nfs/dbraw/zinc/74/73/45/273747345.db2.gz IBYRIJDZBTVSMZ-GFCCVEGCSA-N 1 0 279.340 1.488 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000281988065 273807263 /nfs/dbraw/zinc/80/72/63/273807263.db2.gz SQNIWINCRKGCGY-SECBINFHSA-N 1 0 270.358 1.972 20 5 CDBDRO C[NH2+][C@H]1CCN(c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000129171644 273974967 /nfs/dbraw/zinc/97/49/67/273974967.db2.gz UPQRXTQOFWCXGX-VIFPVBQESA-N 1 0 251.286 1.402 20 5 CDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[NH2+]1 ZINC000052783416 274364318 /nfs/dbraw/zinc/36/43/18/274364318.db2.gz RPCQJLYILGGCHW-SNVBAGLBSA-N 1 0 272.308 1.941 20 5 CDBDRO Cc1cc(N2CC[C@H]([NH+]3CC=CC3)C2)ncc1[N+](=O)[O-] ZINC000266859975 274711210 /nfs/dbraw/zinc/71/12/10/274711210.db2.gz WDLBQSOLZNUHES-LBPRGKRZSA-N 1 0 274.324 1.749 20 5 CDBDRO Cc1nc(N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000295626562 274842064 /nfs/dbraw/zinc/84/20/64/274842064.db2.gz BGUOMPXBYWLTHH-NWDGAFQWSA-N 1 0 291.355 1.756 20 5 CDBDRO [NH3+][C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000261530697 274958696 /nfs/dbraw/zinc/95/86/96/274958696.db2.gz QDMQOCOYJIVCIN-ZCFIWIBFSA-N 1 0 287.117 1.290 20 5 CDBDRO O=[N+]([O-])c1c(N[C@H]2CC[N@@H+](C3CC3)C2)nc2sccn21 ZINC000044417290 275032783 /nfs/dbraw/zinc/03/27/83/275032783.db2.gz NFOAQBIWGYIEDS-QMMMGPOBSA-N 1 0 293.352 1.953 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1[C@H]3C[NH2+]C[C@H]31)CCC2 ZINC000423469000 275038406 /nfs/dbraw/zinc/03/84/06/275038406.db2.gz ZTKMLPODCZKSNN-BARDWOONSA-N 1 0 273.336 1.780 20 5 CDBDRO CC(C)(C)c1ccc(C(=O)NCC[NH3+])cc1[N+](=O)[O-] ZINC000236744108 275846425 /nfs/dbraw/zinc/84/64/25/275846425.db2.gz RPMVWBDLPGRBAM-UHFFFAOYSA-N 1 0 265.313 1.581 20 5 CDBDRO CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000293546480 276136000 /nfs/dbraw/zinc/13/60/00/276136000.db2.gz YPDZOWJQLZAHQD-NWDGAFQWSA-N 1 0 298.339 1.037 20 5 CDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c([N+](=O)[O-])ncn1C ZINC000365920792 276234330 /nfs/dbraw/zinc/23/43/30/276234330.db2.gz MCJLVTSQQLFWDU-NEPJUHHUSA-N 1 0 293.371 1.387 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)CC[NH+](C)C ZINC000288118344 276710843 /nfs/dbraw/zinc/71/08/43/276710843.db2.gz LHHTZAOCMRFPQS-VIFPVBQESA-N 1 0 269.349 1.872 20 5 CDBDRO COCC[C@@H](CO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449302171 277545509 /nfs/dbraw/zinc/54/55/09/277545509.db2.gz JKLOATFKWQOLHT-AAEUAGOBSA-N 1 0 282.340 1.513 20 5 CDBDRO COc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000090322932 277828090 /nfs/dbraw/zinc/82/80/90/277828090.db2.gz BQJIDPMUASSCDR-AOOOYVTPSA-N 1 0 263.297 1.259 20 5 CDBDRO C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000038083203 278355021 /nfs/dbraw/zinc/35/50/21/278355021.db2.gz GECCNZUMEILSOM-GHMZBOCLSA-N 1 0 298.364 1.680 20 5 CDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000046602523 279149146 /nfs/dbraw/zinc/14/91/46/279149146.db2.gz RULAYIIWJUXIJE-GFCCVEGCSA-N 1 0 266.297 1.429 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000086468334 279251510 /nfs/dbraw/zinc/25/15/10/279251510.db2.gz QGQQYLBHHRVPPB-JIVBQCDMSA-N 1 0 289.335 1.817 20 5 CDBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552252 279279257 /nfs/dbraw/zinc/27/92/57/279279257.db2.gz PEMANKMWDIZWRS-GHMZBOCLSA-N 1 0 265.313 1.629 20 5 CDBDRO CCOC[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551584 279279328 /nfs/dbraw/zinc/27/93/28/279279328.db2.gz WYYNHZBNVKUPAZ-LBPRGKRZSA-N 1 0 295.339 1.115 20 5 CDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000185155379 279679599 /nfs/dbraw/zinc/67/95/99/279679599.db2.gz HUQWMFOGSSDTDD-CYZMBNFOSA-N 1 0 275.308 1.404 20 5 CDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]C1 ZINC000214333375 280087433 /nfs/dbraw/zinc/08/74/33/280087433.db2.gz ALNPZNLBRQNNEM-QDZRJHCZSA-N 1 0 275.308 1.476 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000217534276 280088887 /nfs/dbraw/zinc/08/88/87/280088887.db2.gz WSTMFIJFVDYNNH-KRZKBDHCSA-N 1 0 289.335 1.805 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000261602057 280099270 /nfs/dbraw/zinc/09/92/70/280099270.db2.gz QHDJNZLDQXMFMD-KWQFWETISA-N 1 0 264.285 1.548 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000237190017 280163695 /nfs/dbraw/zinc/16/36/95/280163695.db2.gz BIHPCFICYNEMKT-SNVBAGLBSA-N 1 0 293.323 1.414 20 5 CDBDRO Cc1cc(C(=O)N2CCCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000044541996 280323968 /nfs/dbraw/zinc/32/39/68/280323968.db2.gz YEFICOQSWVLJBH-LBPRGKRZSA-N 1 0 277.324 1.857 20 5 CDBDRO C[C@H](CO)[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](C)O ZINC000248881729 280390613 /nfs/dbraw/zinc/39/06/13/280390613.db2.gz DGPJPATXKGYXKS-MNOVXSKESA-N 1 0 268.313 1.158 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261583206 280664748 /nfs/dbraw/zinc/66/47/48/280664748.db2.gz HBWOENIBMYIHNQ-PWSUYJOCSA-N 1 0 262.313 1.486 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000365252169 280771731 /nfs/dbraw/zinc/77/17/31/280771731.db2.gz AHXHAPSTGYPHNG-YPMHNXCESA-N 1 0 289.335 1.727 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C[C@H](O)C[NH3+] ZINC000420362078 281020423 /nfs/dbraw/zinc/02/04/23/281020423.db2.gz YWZRNKUXVNYNSC-CMPLNLGQSA-N 1 0 267.329 1.216 20 5 CDBDRO CCC(CC)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000524758523 281113671 /nfs/dbraw/zinc/11/36/71/281113671.db2.gz BLALATAABUUERM-CQSZACIVSA-N 1 0 296.371 1.805 20 5 CDBDRO Cc1nc(N2C[C@@H](C)[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000122695380 281943836 /nfs/dbraw/zinc/94/38/36/281943836.db2.gz QQOVLSYCCKAFNN-BDAKNGLRSA-N 1 0 250.302 1.485 20 5 CDBDRO C[C@@H]1CCC[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000300405718 289408339 /nfs/dbraw/zinc/40/83/39/289408339.db2.gz UBQKSXVEZMJJCS-BZPMIXESSA-N 1 0 296.371 1.568 20 5 CDBDRO CC[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])OC ZINC000567709246 293847846 /nfs/dbraw/zinc/84/78/46/293847846.db2.gz OHBSJHNZUZSCLR-VXGBXAGGSA-N 1 0 298.339 1.349 20 5 CDBDRO O=C(CC[NH2+][C@H]1C[C@@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000572523411 294640124 /nfs/dbraw/zinc/64/01/24/294640124.db2.gz CEUXLPODUGDHFU-AOOOYVTPSA-N 1 0 279.296 1.036 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000574688450 295038537 /nfs/dbraw/zinc/03/85/37/295038537.db2.gz QGPPLRFBDRGJJR-JSGCOSHPSA-N 1 0 275.308 1.211 20 5 CDBDRO Nc1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000377120475 295354273 /nfs/dbraw/zinc/35/42/73/295354273.db2.gz OOEPSOSMBPQGAI-LBPRGKRZSA-N 1 0 276.340 1.852 20 5 CDBDRO CN1CCO[C@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000351187749 316243159 /nfs/dbraw/zinc/24/31/59/316243159.db2.gz RZEDYQNNUIYRFN-NSHDSACASA-N 1 0 290.279 1.648 20 5 CDBDRO COC[C@H](O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563419605 316304434 /nfs/dbraw/zinc/30/44/34/316304434.db2.gz XQDUNXVTDBXSOG-SKDRFNHKSA-N 1 0 266.297 1.179 20 5 CDBDRO CN(CCC[NH3+])C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000563587751 316335651 /nfs/dbraw/zinc/33/56/51/316335651.db2.gz QMGOZXVYTIQBSB-UHFFFAOYSA-N 1 0 280.328 1.128 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([C@H]3CC[NH2+]C3)CC2)cn1 ZINC000576332220 317118857 /nfs/dbraw/zinc/11/88/57/317118857.db2.gz NBRSXZXLQTVGDV-LBPRGKRZSA-N 1 0 276.340 1.816 20 5 CDBDRO C[C@H]1CC2(CN1C(=O)c1ccc([N+](=O)[O-])[nH]1)CC[NH2+]CC2 ZINC000577502011 317342920 /nfs/dbraw/zinc/34/29/20/317342920.db2.gz JGRVFBDKYWYCNF-JTQLQIEISA-N 1 0 292.339 1.527 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000379494213 323601384 /nfs/dbraw/zinc/60/13/84/323601384.db2.gz MTLSXKKEVVAVDV-FNSAGKMKSA-N 1 0 289.335 1.817 20 5 CDBDRO Cc1cccc(C(=O)N[C@@H](C)[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000381332889 323625517 /nfs/dbraw/zinc/62/55/17/323625517.db2.gz BXTDTWXPTRPPED-IUCAKERBSA-N 1 0 251.286 1.369 20 5 CDBDRO C[C@H](O)C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000579943299 324320536 /nfs/dbraw/zinc/32/05/36/324320536.db2.gz JHPATLQOGKZDFO-NSHDSACASA-N 1 0 252.314 1.888 20 5 CDBDRO CN(CCC[NH+](C)C)c1ncc([N+](=O)[O-])cc1F ZINC000580166983 324385203 /nfs/dbraw/zinc/38/52/03/324385203.db2.gz ZQOKPFKFYLVBKL-UHFFFAOYSA-N 1 0 256.281 1.517 20 5 CDBDRO CC[C@H](O)C[NH2+]CCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000580277806 324417053 /nfs/dbraw/zinc/41/70/53/324417053.db2.gz XZYQDHHZASWVQA-NSHDSACASA-N 1 0 298.339 1.515 20 5 CDBDRO CC(C)[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000581763578 324831198 /nfs/dbraw/zinc/83/11/98/324831198.db2.gz QAIGSLCJXGEELX-ZDUSSCGKSA-N 1 0 294.355 1.129 20 5 CDBDRO COc1ccc(NC(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000582904951 325066580 /nfs/dbraw/zinc/06/65/80/325066580.db2.gz VDVACCUQROAXRC-IUCAKERBSA-N 1 0 296.327 1.851 20 5 CDBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000583126339 325111059 /nfs/dbraw/zinc/11/10/59/325111059.db2.gz DJTURWSIHIRBKJ-NSHDSACASA-N 1 0 294.355 1.490 20 5 CDBDRO COC[C@@](C)(O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000583316040 325149888 /nfs/dbraw/zinc/14/98/88/325149888.db2.gz QMAXINUNRCPAIH-GJZGRUSLSA-N 1 0 294.351 1.959 20 5 CDBDRO [NH3+]Cc1cccn1-c1c(Cl)nccc1[N+](=O)[O-] ZINC001167586254 1159138538 /nfs/dbraw/zinc/13/85/38/1159138538.db2.gz LEKFMWKJMVEAOV-UHFFFAOYSA-N 1 0 252.661 1.893 20 5 CDBDRO C[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000235166574 1159231928 /nfs/dbraw/zinc/23/19/28/1159231928.db2.gz PETHEUYXHGXBIO-IONNQARKSA-N 1 0 296.249 1.083 20 5 CDBDRO CC(C)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000065208981 519650428 /nfs/dbraw/zinc/65/04/28/519650428.db2.gz DURCQVIKKZFZKA-UHFFFAOYSA-N 1 0 281.312 1.169 20 5 CDBDRO CCNC(=O)[C@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000049202384 521745382 /nfs/dbraw/zinc/74/53/82/521745382.db2.gz AMBHNCXPYKAJKE-VIFPVBQESA-N 1 0 281.312 1.218 20 5 CDBDRO C[C@@H]1CCC[C@@H](C)[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304316612 533733324 /nfs/dbraw/zinc/73/33/24/533733324.db2.gz OQNVLSUAKNMOFG-YRGRVCCFSA-N 1 0 296.371 1.663 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000054460281 521657387 /nfs/dbraw/zinc/65/73/87/521657387.db2.gz ZALQXLATHAEDKH-NSHDSACASA-N 1 0 292.339 1.512 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000053202398 522494900 /nfs/dbraw/zinc/49/49/00/522494900.db2.gz GBRWHRTXIPIRFN-QMMMGPOBSA-N 1 0 269.326 1.480 20 5 CDBDRO C[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000070176612 524195119 /nfs/dbraw/zinc/19/51/19/524195119.db2.gz SBMVKYQWVKCVIN-RISCZKNCSA-N 1 0 291.351 1.723 20 5 CDBDRO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000163522741 524269892 /nfs/dbraw/zinc/26/98/92/524269892.db2.gz DFGRSCBMSQLWMC-CMPLNLGQSA-N 1 0 277.324 1.652 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000070172617 524857307 /nfs/dbraw/zinc/85/73/07/524857307.db2.gz PMMNVXQHCBIRHR-AAEUAGOBSA-N 1 0 291.351 1.723 20 5 CDBDRO C[C@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000070176807 526265194 /nfs/dbraw/zinc/26/51/94/526265194.db2.gz KEBJDERYMHDYEC-SMDDNHRTSA-N 1 0 291.351 1.723 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3cn[nH]c3)CC2)n1 ZINC000365825655 527407395 /nfs/dbraw/zinc/40/73/95/527407395.db2.gz PNHVGFCDYHIWQN-UHFFFAOYSA-N 1 0 290.327 1.394 20 5 CDBDRO CC1(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000189332382 535178901 /nfs/dbraw/zinc/17/89/01/535178901.db2.gz FLXLBQXNPNSTNE-UHFFFAOYSA-N 1 0 277.324 1.396 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261596496 535969156 /nfs/dbraw/zinc/96/91/56/535969156.db2.gz ORCIDYHNZCLQQY-PSASIEDQSA-N 1 0 267.333 1.293 20 5 CDBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176240436 535997971 /nfs/dbraw/zinc/99/79/71/535997971.db2.gz XQDSIUAUDVHZIQ-RYUDHWBXSA-N 1 0 282.344 1.417 20 5 CDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCC[NH3+] ZINC000420236913 536407186 /nfs/dbraw/zinc/40/71/86/536407186.db2.gz QGEVHHFZFQHVIK-UHFFFAOYSA-N 1 0 266.301 1.105 20 5 CDBDRO CNC(=O)c1ccc(N[C@@H]2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000212641988 536434793 /nfs/dbraw/zinc/43/47/93/536434793.db2.gz XPZKXMCTHZICDI-GHMZBOCLSA-N 1 0 292.339 1.494 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000237202703 536454691 /nfs/dbraw/zinc/45/46/91/536454691.db2.gz OGFRVSOAFLYTMP-JTQLQIEISA-N 1 0 292.339 1.249 20 5 CDBDRO C[NH+]1CCC(ONC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000773548355 575823286 /nfs/dbraw/zinc/82/32/86/575823286.db2.gz WRNGGFPXPDJMIY-UHFFFAOYSA-N 1 0 297.286 1.490 20 5 CDBDRO COc1cc(CN2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000766845912 576139126 /nfs/dbraw/zinc/13/91/26/576139126.db2.gz GVUGUTBXKUKVEL-SNVBAGLBSA-N 1 0 297.330 1.878 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1COC[C@H]1C ZINC000932487724 617314532 /nfs/dbraw/zinc/31/45/32/617314532.db2.gz CLBDJQUPDGWHDX-BXKDBHETSA-N 1 0 266.297 1.728 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000892555159 617500534 /nfs/dbraw/zinc/50/05/34/617500534.db2.gz QVMJYPUQRBSYJN-NSHDSACASA-N 1 0 294.355 1.776 20 5 CDBDRO CC(C)C[C@H](CNc1c([N+](=O)[O-])cnn1C)[NH+](C)C ZINC000891680805 617535689 /nfs/dbraw/zinc/53/56/89/617535689.db2.gz LUKCOWDJTUQAAY-SNVBAGLBSA-N 1 0 269.349 1.717 20 5 CDBDRO CC(C)[N@@H+](C)C[C@@H](C)Nc1c([N+](=O)[O-])cnn1C ZINC000893913033 618170934 /nfs/dbraw/zinc/17/09/34/618170934.db2.gz AONNZMGBJBFWTL-SECBINFHSA-N 1 0 255.322 1.469 20 5 CDBDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000922591123 618276602 /nfs/dbraw/zinc/27/66/02/618276602.db2.gz PHYSVHVLXPBFJD-AWEZNQCLSA-N 1 0 293.367 1.795 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000841045009 618678690 /nfs/dbraw/zinc/67/86/90/618678690.db2.gz KDPVLPVGLGDZKF-ZDUSSCGKSA-N 1 0 290.367 1.515 20 5 CDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN1C ZINC000928568212 619406604 /nfs/dbraw/zinc/40/66/04/619406604.db2.gz NRWSSDVRLDGAJU-LLVKDONJSA-N 1 0 292.339 1.095 20 5 CDBDRO C[C@H](Nc1cccnc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895245501 619486450 /nfs/dbraw/zinc/48/64/50/619486450.db2.gz BAMVJGXOQCLNEY-CMPLNLGQSA-N 1 0 279.344 1.036 20 5 CDBDRO COc1ccc(CC[NH2+]CC[N+](=O)[O-])cc1OC ZINC000899858740 622485720 /nfs/dbraw/zinc/48/57/20/622485720.db2.gz ANUIEBPBIHGONG-UHFFFAOYSA-N 1 0 254.286 1.113 20 5 CDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)C12CC[NH+](CC1)C2 ZINC000901232656 624022514 /nfs/dbraw/zinc/02/25/14/624022514.db2.gz GEZHSKYIHJIAIG-UHFFFAOYSA-N 1 0 289.335 1.349 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC000903498492 626008893 /nfs/dbraw/zinc/00/88/93/626008893.db2.gz IAUCJAZUELGGIU-GHMZBOCLSA-N 1 0 264.329 1.407 20 5 CDBDRO Cc1ccc([C@@H](C[NH2+]CC[N+](=O)[O-])N2CCCC2)o1 ZINC000905089162 626605227 /nfs/dbraw/zinc/60/52/27/626605227.db2.gz MCJBCZFYFVOHFX-GFCCVEGCSA-N 1 0 267.329 1.591 20 5 CDBDRO CCn1c2ccccc2nc1CC[NH2+]CC[N+](=O)[O-] ZINC000905072165 626617122 /nfs/dbraw/zinc/61/71/22/626617122.db2.gz RNSNSHNXQPIUPE-UHFFFAOYSA-N 1 0 262.313 1.465 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCOc1ccccc1C(F)(F)F ZINC000905098416 626618853 /nfs/dbraw/zinc/61/88/53/626618853.db2.gz SWQFOTZZJKNHSM-UHFFFAOYSA-N 1 0 278.230 1.951 20 5 CDBDRO COC(=O)Nc1ccc(CC[NH2+]CC[N+](=O)[O-])cc1 ZINC000905139388 626652489 /nfs/dbraw/zinc/65/24/89/626652489.db2.gz XQROLGIMVQWMSA-UHFFFAOYSA-N 1 0 267.285 1.274 20 5 CDBDRO O=C1C[C@H]([NH2+]CC[N+](=O)[O-])CN1[C@H]1C[C@H]1c1ccccc1 ZINC000905146949 626658072 /nfs/dbraw/zinc/65/80/72/626658072.db2.gz UHEKHPLZAVBLSX-IHRRRGAJSA-N 1 0 289.335 1.010 20 5 CDBDRO C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]CC[N+](=O)[O-] ZINC000905204809 626690565 /nfs/dbraw/zinc/69/05/65/626690565.db2.gz WSBWIDHRVMRATC-VIFPVBQESA-N 1 0 261.322 1.156 20 5 CDBDRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905281321 626735502 /nfs/dbraw/zinc/73/55/02/626735502.db2.gz SOVZGSYZUWVCSK-GHMZBOCLSA-N 1 0 287.360 1.546 20 5 CDBDRO C[NH+](C)CCCOc1cccc(NCC[N+](=O)[O-])c1 ZINC000905320328 626747487 /nfs/dbraw/zinc/74/74/87/626747487.db2.gz WEPLMDVCIDYIEH-UHFFFAOYSA-N 1 0 267.329 1.706 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000905368451 626786870 /nfs/dbraw/zinc/78/68/70/626786870.db2.gz RFVNOZRSVMHWOR-SNVBAGLBSA-N 1 0 262.668 1.379 20 5 CDBDRO [NH3+]C1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000911620376 629367732 /nfs/dbraw/zinc/36/77/32/629367732.db2.gz QQQVIYFCTAUBNN-KGLIPLIRSA-N 1 0 289.335 1.648 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911787400 629511129 /nfs/dbraw/zinc/51/11/29/629511129.db2.gz JSZOUARETQZMLS-JTQLQIEISA-N 1 0 295.364 1.751 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H](C)O)c([N+](=O)[O-])c1 ZINC001170294800 1162328065 /nfs/dbraw/zinc/32/80/65/1162328065.db2.gz RUVRYULYDNLGPF-ZJUUUORDSA-N 1 0 268.313 1.505 20 5 CDBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC001170335711 1162339430 /nfs/dbraw/zinc/33/94/30/1162339430.db2.gz QMDZUWJQSYVCOT-XHDPSFHLSA-N 1 0 294.351 1.991 20 5 CDBDRO COc1ccc(C[C@@H](C)N(C)OCC[NH3+])c([N+](=O)[O-])c1 ZINC001170312702 1162335178 /nfs/dbraw/zinc/33/51/78/1162335178.db2.gz GVRSOFRUYWQAFG-SNVBAGLBSA-N 1 0 283.328 1.357 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N(C(C)C)[C@@H]2CC[NH2+]C2)n1 ZINC001158025090 1162684031 /nfs/dbraw/zinc/68/40/31/1162684031.db2.gz DLZXOTPTMUUUEU-SNVBAGLBSA-N 1 0 265.317 1.270 20 5 CDBDRO C[C@H](Nc1cnc(Cl)cc1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001170568204 1162946235 /nfs/dbraw/zinc/94/62/35/1162946235.db2.gz HCUNWLJGKVUUNZ-OIBJUYFYSA-N 1 0 286.719 1.432 20 5 CDBDRO C[C@H](C[NH+](C)C)Oc1nc(Cl)ccc1[N+](=O)[O-] ZINC000304542487 1158490806 /nfs/dbraw/zinc/49/08/06/1158490806.db2.gz NTZFPCAALYXPPE-SSDOTTSWSA-N 1 0 259.693 1.972 20 5 CDBDRO [NH3+]CCN(c1cccnc1)c1cccc2ncc([N+](=O)[O-])n21 ZINC001168837845 1161990029 /nfs/dbraw/zinc/99/00/29/1161990029.db2.gz BDXOWJCSYUTMOZ-UHFFFAOYSA-N 1 0 298.306 1.734 20 5 CDBDRO CCOC(=O)C1(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168967140 1161996171 /nfs/dbraw/zinc/99/61/71/1161996171.db2.gz NQINCHDPZZNTCF-MNOVXSKESA-N 1 0 270.329 1.365 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2ccc(CO)cc2)C1 ZINC001168998067 1161997171 /nfs/dbraw/zinc/99/71/71/1161997171.db2.gz HXEFBGBTJOOVIA-CABCVRRESA-N 1 0 278.352 1.756 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3cc(F)c([N+](=O)[O-])cc3CO)C[C@H]2C1 ZINC000865732774 1164685907 /nfs/dbraw/zinc/68/59/07/1164685907.db2.gz JHGSAMOAEVNHLE-PHIMTYICSA-N 1 0 295.314 1.224 20 5 CDBDRO CNC(=O)CCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866249145 1164757645 /nfs/dbraw/zinc/75/76/45/1164757645.db2.gz UNPZLBJRYVEZKA-SNVBAGLBSA-N 1 0 297.330 1.781 20 5 CDBDRO C[C@H](CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[NH+](C)C ZINC001609113793 1164775258 /nfs/dbraw/zinc/77/52/58/1164775258.db2.gz HLVLQVKBRKKLPZ-MRVPVSSYSA-N 1 0 291.315 1.137 20 5 CDBDRO CCC[NH2+]CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001577556942 1171695749 /nfs/dbraw/zinc/69/57/49/1171695749.db2.gz NHFWSLIHVZETNH-UHFFFAOYSA-N 1 0 283.303 1.392 20 5 CDBDRO CO[C@H]1C[NH2+][C@@](C)(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC001578948893 1172059362 /nfs/dbraw/zinc/05/93/62/1172059362.db2.gz QRGNJULIGJRICX-BXUZGUMPSA-N 1 0 293.323 1.609 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC001579242136 1172122454 /nfs/dbraw/zinc/12/24/54/1172122454.db2.gz JZMFBRVIOXGOCJ-RYUDHWBXSA-N 1 0 293.323 1.459 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC001579241599 1172122704 /nfs/dbraw/zinc/12/27/04/1172122704.db2.gz CSCHTYURBDYSAH-QPUJVOFHSA-N 1 0 297.286 1.490 20 5 CDBDRO C[C@H](C[NH3+])Nc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001579476854 1172192654 /nfs/dbraw/zinc/19/26/54/1172192654.db2.gz KJFITAQIIVADJU-SSDOTTSWSA-N 1 0 264.260 1.463 20 5 CDBDRO C[C@H]1[NH2+]CC[C@@H]1NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001579504762 1172201026 /nfs/dbraw/zinc/20/10/26/1172201026.db2.gz QVUJDCHAIBUCQF-XCBNKYQSSA-N 1 0 282.275 1.606 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@](C)(C[NH3+])CC(C)C)n1 ZINC001579642331 1172232196 /nfs/dbraw/zinc/23/21/96/1172232196.db2.gz ABMPMFCMVTUFPH-AWEZNQCLSA-N 1 0 294.355 1.792 20 5 CDBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC2(C1)CC[NH2+]C2 ZINC001580875746 1172558609 /nfs/dbraw/zinc/55/86/09/1172558609.db2.gz PSCJSYYHQAKMQT-UHFFFAOYSA-N 1 0 284.319 1.943 20 5 CDBDRO O=[N+]([O-])c1cccc(Cn2cc(C[NH2+]CC3CC3)nn2)c1 ZINC000161984263 1179113730 /nfs/dbraw/zinc/11/37/30/1179113730.db2.gz YESFXGDCIKJVAL-UHFFFAOYSA-N 1 0 287.323 1.734 20 5 CDBDRO CC(C)(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001752727005 1184902281 /nfs/dbraw/zinc/90/22/81/1184902281.db2.gz ZGJBTWWQEYXHSB-YVECIDJPSA-N 1 0 297.399 1.715 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)c1csc([N+](=O)[O-])c1 ZINC000401236091 1186407701 /nfs/dbraw/zinc/40/77/01/1186407701.db2.gz RGVUMPOJFGTHGY-XHNCKOQMSA-N 1 0 283.353 1.867 20 5 CDBDRO CC(C)(CO)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843063910 735312046 /nfs/dbraw/zinc/31/20/46/735312046.db2.gz TXKYLDKGMVFNAH-LBPRGKRZSA-N 1 0 268.313 1.236 20 5 CDBDRO Cc1ccc(NC(=O)N(C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000859614152 735340055 /nfs/dbraw/zinc/34/00/55/735340055.db2.gz BDTMORBQGVFCFB-SECBINFHSA-N 1 0 266.301 1.714 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702054774 735346690 /nfs/dbraw/zinc/34/66/90/735346690.db2.gz WPSQZNSNRXSBJV-ZETCQYMHSA-N 1 0 271.704 1.667 20 5 CDBDRO CC1(C)C[C@@H](O)CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886234108 735395239 /nfs/dbraw/zinc/39/52/39/735395239.db2.gz GHZBYCFKITXELG-LBPRGKRZSA-N 1 0 279.340 1.973 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702065361 735431944 /nfs/dbraw/zinc/43/19/44/735431944.db2.gz IJGCTIBZAZOYBN-UHFFFAOYSA-N 1 0 285.731 1.978 20 5 CDBDRO CC[C@@H]1[NH2+]CC[C@@H]1c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000823235015 735436394 /nfs/dbraw/zinc/43/63/94/735436394.db2.gz OQDHHLOQRLZWKI-UWVGGRQHSA-N 1 0 282.344 1.913 20 5 CDBDRO CCc1cc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000819055778 735477995 /nfs/dbraw/zinc/47/79/95/735477995.db2.gz YTZZGHDQLBFNTE-CQSZACIVSA-N 1 0 290.323 1.704 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H](C)[NH3+] ZINC000859614328 735550240 /nfs/dbraw/zinc/55/02/40/735550240.db2.gz DDEPLEWPHYFUOZ-SECBINFHSA-N 1 0 266.301 1.714 20 5 CDBDRO Nc1ccc(-c2noc([C@H]3C[C@H]([NH3+])C3)n2)cc1[N+](=O)[O-] ZINC000854133655 735520471 /nfs/dbraw/zinc/52/04/71/735520471.db2.gz CVFNWKYLHMFHNY-ZKCHVHJHSA-N 1 0 275.268 1.432 20 5 CDBDRO Cc1c(C[NH2+]CCN2CCNC2=O)cccc1[N+](=O)[O-] ZINC000231885441 735527290 /nfs/dbraw/zinc/52/72/90/735527290.db2.gz DVNHLXSACWBHIB-UHFFFAOYSA-N 1 0 278.312 1.018 20 5 CDBDRO [NH3+]C[C@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000050249739 735810276 /nfs/dbraw/zinc/81/02/76/735810276.db2.gz BAEBJUUOSMQPOW-SSDOTTSWSA-N 1 0 267.314 1.089 20 5 CDBDRO Nc1ccc(NC[C@H]2CCC[N@@H+]2CCCO)c([N+](=O)[O-])c1 ZINC000828422991 735820286 /nfs/dbraw/zinc/82/02/86/735820286.db2.gz SQFIRZFGDXGQCY-GFCCVEGCSA-N 1 0 294.355 1.436 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000852814669 736079793 /nfs/dbraw/zinc/07/97/93/736079793.db2.gz NPEQTFCOTRQMPU-LLVKDONJSA-N 1 0 285.731 1.862 20 5 CDBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](CC[N+](=O)[O-])C[C@@H]2C1 ZINC000930297819 736279124 /nfs/dbraw/zinc/27/91/24/736279124.db2.gz DWJHCDXGVBOIIU-PHIMTYICSA-N 1 0 285.344 1.062 20 5 CDBDRO C[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000054244207 733216137 /nfs/dbraw/zinc/21/61/37/733216137.db2.gz VVYQHXUSHWAHLG-UHFFFAOYSA-N 1 0 257.677 1.197 20 5 CDBDRO Cc1ccc(CNC(=O)C[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000870961923 733318209 /nfs/dbraw/zinc/31/82/09/733318209.db2.gz JOCHMUTWUNRSGC-GFCCVEGCSA-N 1 0 277.324 1.662 20 5 CDBDRO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000842912511 733366183 /nfs/dbraw/zinc/36/61/83/733366183.db2.gz UFBXUAQSMDPGKN-XTWCZFFVSA-N 1 0 281.312 1.241 20 5 CDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C(C)(C)CO ZINC000126046488 733404519 /nfs/dbraw/zinc/40/45/19/733404519.db2.gz SPGYEGPZIDAUMN-UHFFFAOYSA-N 1 0 256.277 1.937 20 5 CDBDRO CO[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581267 733467455 /nfs/dbraw/zinc/46/74/55/733467455.db2.gz GIAJPMIESNXSQR-KGLIPLIRSA-N 1 0 280.324 1.739 20 5 CDBDRO Cn1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cn1 ZINC000809734878 733485239 /nfs/dbraw/zinc/48/52/39/733485239.db2.gz MZURGXGUOJPUCO-UHFFFAOYSA-N 1 0 275.312 1.294 20 5 CDBDRO O=[N+]([O-])c1cc(CO)c(NCC[NH+]2CCC2)cc1F ZINC000865635721 733575276 /nfs/dbraw/zinc/57/52/76/733575276.db2.gz OQAVEEFPEQJPKU-UHFFFAOYSA-N 1 0 269.276 1.344 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000886833311 733663204 /nfs/dbraw/zinc/66/32/04/733663204.db2.gz WKNWYEIJJFYOLW-TZMCWYRMSA-N 1 0 290.367 1.954 20 5 CDBDRO Cc1cc(N2CCC([NH3+])(CO)CC2)c([N+](=O)[O-])s1 ZINC000853333174 733722280 /nfs/dbraw/zinc/72/22/80/733722280.db2.gz BFOAFCVHIZVXIM-UHFFFAOYSA-N 1 0 271.342 1.255 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@]3(CO)CCC[C@@H]23)n1 ZINC000886626718 733794357 /nfs/dbraw/zinc/79/43/57/733794357.db2.gz JLVMVIZTLJEIIO-DGCLKSJQSA-N 1 0 280.328 1.028 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000168694532 733807007 /nfs/dbraw/zinc/80/70/07/733807007.db2.gz YQRYQYHIEZLYFF-QMMMGPOBSA-N 1 0 285.731 1.928 20 5 CDBDRO CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000700603625 733815393 /nfs/dbraw/zinc/81/53/93/733815393.db2.gz ZEMMWTSDAOVMDF-UHFFFAOYSA-N 1 0 283.715 1.810 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000701446561 733855788 /nfs/dbraw/zinc/85/57/88/733855788.db2.gz LQTHGJPPUURQSR-NVDWLVSRSA-N 1 0 263.297 1.332 20 5 CDBDRO C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000923360871 733864719 /nfs/dbraw/zinc/86/47/19/733864719.db2.gz FNXJDOPRPARPDH-GYSYKLTISA-N 1 0 279.340 1.310 20 5 CDBDRO CCC[C@H](CCO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000872217903 733880773 /nfs/dbraw/zinc/88/07/73/733880773.db2.gz GZRROYGLBQPWNL-OCCSQVGLSA-N 1 0 282.340 1.769 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000886575107 734014385 /nfs/dbraw/zinc/01/43/85/734014385.db2.gz FXVFTBKNOLGNMI-ATGSNQNLSA-N 1 0 292.335 1.331 20 5 CDBDRO O=C(N[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702056147 734088877 /nfs/dbraw/zinc/08/88/77/734088877.db2.gz QGKSAYGGCBGJRG-QMMMGPOBSA-N 1 0 269.688 1.340 20 5 CDBDRO [NH3+][C@H]1C[C@H](c2nc(-c3ccc([N+](=O)[O-])o3)no2)C1 ZINC000854160653 734116739 /nfs/dbraw/zinc/11/67/39/734116739.db2.gz QYZYOTSYEYZYDS-IZLXSQMJSA-N 1 0 250.214 1.443 20 5 CDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cn2nccc2[N+](=O)[O-])C1 ZINC000129253110 734120579 /nfs/dbraw/zinc/12/05/79/734120579.db2.gz KZUALTDXNJUBAJ-VXGBXAGGSA-N 1 0 279.344 1.165 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCO)C2CCOCC2)cc1F ZINC000801547060 734136099 /nfs/dbraw/zinc/13/60/99/734136099.db2.gz DYLNMWMXKAKILJ-UHFFFAOYSA-N 1 0 298.314 1.707 20 5 CDBDRO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000886127584 734152731 /nfs/dbraw/zinc/15/27/31/734152731.db2.gz NLRANFMBQQRROD-CMPLNLGQSA-N 1 0 265.313 1.895 20 5 CDBDRO [NH3+]CCOCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000093229049 734157144 /nfs/dbraw/zinc/15/71/44/734157144.db2.gz GOJMBJWVAUWYQD-UHFFFAOYSA-N 1 0 264.241 1.120 20 5 CDBDRO Cc1ccc(C[NH+]2[C@@H](CO)CC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000878881786 734168106 /nfs/dbraw/zinc/16/81/06/734168106.db2.gz PPTTXVJWUDEFCE-CHWSQXEVSA-N 1 0 280.324 1.221 20 5 CDBDRO O=C1NCCC12CC[NH+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000877783361 734175507 /nfs/dbraw/zinc/17/55/07/734175507.db2.gz PZJOSYBTVACYJT-UHFFFAOYSA-N 1 0 289.335 1.697 20 5 CDBDRO CC(C)(O)[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886314288 734220109 /nfs/dbraw/zinc/22/01/09/734220109.db2.gz RQQGIVLEOVYXMR-GFCCVEGCSA-N 1 0 279.340 1.973 20 5 CDBDRO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000887401258 734336436 /nfs/dbraw/zinc/33/64/36/734336436.db2.gz RVRMIVQXSFAJRJ-VXGBXAGGSA-N 1 0 291.351 1.766 20 5 CDBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000130702611 734363392 /nfs/dbraw/zinc/36/33/92/734363392.db2.gz CKQFIMHEMHRPBS-SUHUHFCYSA-N 1 0 280.324 1.643 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000132286866 734405632 /nfs/dbraw/zinc/40/56/32/734405632.db2.gz VTTBZJAJGTUDCS-UWVGGRQHSA-N 1 0 278.312 1.796 20 5 CDBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000107571794 734451140 /nfs/dbraw/zinc/45/11/40/734451140.db2.gz WQHIKBCVZIFZKF-IUCAKERBSA-N 1 0 251.261 1.390 20 5 CDBDRO CC1(C)CN(c2ccc(N)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000804631446 734455625 /nfs/dbraw/zinc/45/56/25/734455625.db2.gz VEFOTOSNPTVHPE-UHFFFAOYSA-N 1 0 294.355 1.070 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]([NH3+])C1 ZINC000876517511 734470468 /nfs/dbraw/zinc/47/04/68/734470468.db2.gz UCAVZKSWDBAIBC-JTQLQIEISA-N 1 0 263.297 1.385 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702055874 734480589 /nfs/dbraw/zinc/48/05/89/734480589.db2.gz NXRPHWKKPVNIGA-VIFPVBQESA-N 1 0 283.715 1.730 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000886837244 734546121 /nfs/dbraw/zinc/54/61/21/734546121.db2.gz CXJUDROWUQEFRH-JQWIXIFHSA-N 1 0 262.313 1.174 20 5 CDBDRO CC(C)[NH+]1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885943048 734558887 /nfs/dbraw/zinc/55/88/87/734558887.db2.gz XJOHNUZJBUFRNQ-UHFFFAOYSA-N 1 0 264.329 1.516 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000857768679 734573209 /nfs/dbraw/zinc/57/32/09/734573209.db2.gz UONCWGHDYGNFLJ-PELKAZGASA-N 1 0 294.286 1.560 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881907922 734662582 /nfs/dbraw/zinc/66/25/82/734662582.db2.gz IBTNMQXEZQZINF-SECBINFHSA-N 1 0 268.292 1.659 20 5 CDBDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886171273 734772455 /nfs/dbraw/zinc/77/24/55/734772455.db2.gz CJRAYNDBSQTJEJ-MWLCHTKSSA-N 1 0 251.286 1.504 20 5 CDBDRO O=[N+]([O-])c1cnn(CCN2CC[NH2+]CCC23CCC3)c1 ZINC000883459383 734775802 /nfs/dbraw/zinc/77/58/02/734775802.db2.gz VHFGFHSSAWJEJJ-UHFFFAOYSA-N 1 0 279.344 1.009 20 5 CDBDRO C[C@@H](C[NH3+])c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000822635109 734810253 /nfs/dbraw/zinc/81/02/53/734810253.db2.gz PWIIJPAUWDNGAE-LURJTMIESA-N 1 0 263.257 1.289 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H](C)[NH3+])c1 ZINC000700960719 734836415 /nfs/dbraw/zinc/83/64/15/734836415.db2.gz MVDXHFRMYATPRD-QMMMGPOBSA-N 1 0 283.353 1.736 20 5 CDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000843485714 734896597 /nfs/dbraw/zinc/89/65/97/734896597.db2.gz DGLKLWVAVGIRMZ-SFYZADRCSA-N 1 0 296.283 1.277 20 5 CDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834469544 734898275 /nfs/dbraw/zinc/89/82/75/734898275.db2.gz GYRKSUVEVUARAC-LLVKDONJSA-N 1 0 292.339 1.391 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834900313 734931929 /nfs/dbraw/zinc/93/19/29/734931929.db2.gz NSLCASXEIMHCMP-RKDXNWHRSA-N 1 0 280.328 1.352 20 5 CDBDRO COCC[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000311286428 734958356 /nfs/dbraw/zinc/95/83/56/734958356.db2.gz ZTLJXILJSGCVKZ-GFCCVEGCSA-N 1 0 268.313 1.390 20 5 CDBDRO C[C@@H](C[NH3+])CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841049215 734997242 /nfs/dbraw/zinc/99/72/42/734997242.db2.gz OEQTZSXOBCIKFO-QMMMGPOBSA-N 1 0 257.721 1.933 20 5 CDBDRO Cc1c(C[NH2+][C@H](CO)C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000886220305 735032811 /nfs/dbraw/zinc/03/28/11/735032811.db2.gz GGCJMGLGKAHRLP-UONOGXRCSA-N 1 0 294.351 1.923 20 5 CDBDRO O=[N+]([O-])CC[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000929796361 735034754 /nfs/dbraw/zinc/03/47/54/735034754.db2.gz ABVDHOYTIASZTB-ZDUSSCGKSA-N 1 0 250.298 1.245 20 5 CDBDRO Cc1nn(CN2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000779865822 735068605 /nfs/dbraw/zinc/06/86/05/735068605.db2.gz RAIRNNOLBGHSFC-UHFFFAOYSA-N 1 0 281.360 1.331 20 5 CDBDRO CC(C)(CCC(=O)NCC[NH+]1CCCC1)[N+](=O)[O-] ZINC000822236925 735082924 /nfs/dbraw/zinc/08/29/24/735082924.db2.gz XCRXUMVEFPDKOA-UHFFFAOYSA-N 1 0 257.334 1.034 20 5 CDBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H]1O ZINC000886480239 735093252 /nfs/dbraw/zinc/09/32/52/735093252.db2.gz BYGJXTCZACNFOQ-MGPQQGTHSA-N 1 0 280.324 1.473 20 5 CDBDRO O=C1[C@H]([N@@H+]2C[C@@H]3C[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000886345418 735132372 /nfs/dbraw/zinc/13/23/72/735132372.db2.gz ZSQKEBJLWJEFMM-UHIISALHSA-N 1 0 287.319 1.652 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CC[NH3+])CC1 ZINC000846694754 735163203 /nfs/dbraw/zinc/16/32/03/735163203.db2.gz AYBPQPVPQWEHIO-UHFFFAOYSA-N 1 0 292.339 1.378 20 5 CDBDRO CC(C)[NH2+]CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000851626916 735163687 /nfs/dbraw/zinc/16/36/87/735163687.db2.gz MNRDFJHCKNGFNS-UHFFFAOYSA-N 1 0 285.731 1.862 20 5 CDBDRO Cc1c(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000715067132 735185603 /nfs/dbraw/zinc/18/56/03/735185603.db2.gz VTSHFUQBVCJRBI-AOOOYVTPSA-N 1 0 263.297 1.370 20 5 CDBDRO COC(=O)C[C@@H]1CCCN1Cc1cccnc1[N+](=O)[O-] ZINC000886081337 735212316 /nfs/dbraw/zinc/21/23/16/735212316.db2.gz MIORNBXCHLSNDK-NSHDSACASA-N 1 0 279.296 1.517 20 5 CDBDRO CN(CC[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000791055153 735256162 /nfs/dbraw/zinc/25/61/62/735256162.db2.gz PZAKBDOMCGTYDV-UHFFFAOYSA-N 1 0 277.368 1.860 20 5 CDBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000929964137 735562098 /nfs/dbraw/zinc/56/20/98/735562098.db2.gz BRSJDFJAPJCUFP-FRRDWIJNSA-N 1 0 255.362 1.600 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000886232224 735664211 /nfs/dbraw/zinc/66/42/11/735664211.db2.gz SICNTAQZSJVIAF-KBPBESRZSA-N 1 0 291.351 1.877 20 5 CDBDRO C[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000923375960 735896925 /nfs/dbraw/zinc/89/69/25/735896925.db2.gz SLQGPDWAIGTXJF-ZLDLUXBVSA-N 1 0 293.367 1.545 20 5 CDBDRO C[C@H]([NH2+]CCC1(C)OCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788736459 736261186 /nfs/dbraw/zinc/26/11/86/736261186.db2.gz GDSMBVHRGPCINI-JTQLQIEISA-N 1 0 295.339 1.981 20 5 CDBDRO COCC[C@H]([NH3+])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000052808105 1166818042 /nfs/dbraw/zinc/81/80/42/1166818042.db2.gz NEFWPUAOTUVKSN-SKDRFNHKSA-N 1 0 281.312 1.136 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cc(NC[C@@]23C[NH2+][C@@H](CO2)C3)n1 ZINC001155541493 1167221683 /nfs/dbraw/zinc/22/16/83/1167221683.db2.gz HLAWTQUYVLDETB-LDYMZIIASA-N 1 0 284.703 1.186 20 5 CDBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)NCCC[NH2+]C1CC1 ZINC001580436674 1167721070 /nfs/dbraw/zinc/72/10/70/1167721070.db2.gz KKABTHJCWCTHJK-UHFFFAOYSA-N 1 0 278.312 1.049 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(O)CC1 ZINC001173224280 912309887 /nfs/dbraw/zinc/30/98/87/912309887.db2.gz DFWWGSRELGWAMV-LLVKDONJSA-N 1 0 264.325 1.983 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC2(C1)OCCO2 ZINC001173227300 912322782 /nfs/dbraw/zinc/32/27/82/912322782.db2.gz PLWYAQCXBNDEIO-GFCCVEGCSA-N 1 0 292.335 1.975 20 5 CDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1-n1cccc1C[NH3+] ZINC001167590093 896937282 /nfs/dbraw/zinc/93/72/82/896937282.db2.gz RFWNIOVHFFAKCA-UHFFFAOYSA-N 1 0 290.279 1.334 20 5 CDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1=CCCC1 ZINC001125625542 897029512 /nfs/dbraw/zinc/02/95/12/897029512.db2.gz WJJXRZYJBWXGQL-UHFFFAOYSA-N 1 0 289.335 1.911 20 5 CDBDRO COc1cc(-n2ccc(C[NH3+])cc2=N)cc([N+](=O)[O-])c1C ZINC001167692877 898318155 /nfs/dbraw/zinc/31/81/55/898318155.db2.gz WRIRESLOIGADQE-UHFFFAOYSA-N 1 0 288.307 1.641 20 5 CDBDRO CC(C)(C)c1ccc(-n2nnc(CC[NH3+])n2)c([N+](=O)[O-])c1 ZINC001167791321 900795771 /nfs/dbraw/zinc/79/57/71/900795771.db2.gz WPKASTVFZRPZJD-UHFFFAOYSA-N 1 0 290.327 1.369 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ncc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168227461 907944979 /nfs/dbraw/zinc/94/49/79/907944979.db2.gz QCGUPBQATCCVQT-RQJHMYQMSA-N 1 0 274.683 1.755 20 5 CDBDRO C[N@@H+]1CCC[C@@H](OCc2ccc([N+](=O)[O-])nc2)CC1 ZINC001224108890 909165588 /nfs/dbraw/zinc/16/55/88/909165588.db2.gz MGMYVSLCSBXOEC-GFCCVEGCSA-N 1 0 265.313 1.991 20 5 CDBDRO CC[NH2+]CCNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001120541649 912067888 /nfs/dbraw/zinc/06/78/88/912067888.db2.gz BRLMMCHYYGTVHZ-SNVBAGLBSA-N 1 0 280.328 1.565 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2cnc(C[NH3+])c2)c1 ZINC001162304126 922235264 /nfs/dbraw/zinc/23/52/64/922235264.db2.gz ABEVKWNYACMHGE-UHFFFAOYSA-N 1 0 276.252 1.026 20 5 CDBDRO [NH3+]Cc1ccnn1-c1ccc2cnccc2c1[N+](=O)[O-] ZINC001162597484 922796454 /nfs/dbraw/zinc/79/64/54/922796454.db2.gz HSFHVYUTZPDLQU-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO CC(C)[C@H]1C[NH2+]CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923398962 923807244 /nfs/dbraw/zinc/80/72/44/923807244.db2.gz MVXAEXWZFKUDLQ-HUUCEWRRSA-N 1 0 293.367 1.558 20 5 CDBDRO C[NH+](C)C[C@H]1CCCN1c1ncc(F)cc1[N+](=O)[O-] ZINC001165072608 924966100 /nfs/dbraw/zinc/96/61/00/924966100.db2.gz NHUJDFQWVWRMIZ-SNVBAGLBSA-N 1 0 268.292 1.659 20 5 CDBDRO CCOc1nc(N[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC001155922255 927200463 /nfs/dbraw/zinc/20/04/63/927200463.db2.gz WEAFZNZLAZSQQM-SECBINFHSA-N 1 0 268.317 1.751 20 5 CDBDRO [NH3+]CCc1cnn(-c2ccc3ncccc3c2[N+](=O)[O-])c1 ZINC001168949593 927555815 /nfs/dbraw/zinc/55/58/15/927555815.db2.gz LZCUVAQXQBRJEE-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO CCOC(=O)[C@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168983425 927570768 /nfs/dbraw/zinc/57/07/68/927570768.db2.gz JYJBIXZOOTZBSQ-RNJOBUHISA-N 1 0 284.356 1.753 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1nnc2ccccn21 ZINC001168960706 927581840 /nfs/dbraw/zinc/58/18/40/927581840.db2.gz GJAJNTZBSODOKK-SDDRHHMPSA-N 1 0 289.339 1.825 20 5 CDBDRO Cc1cccn2c(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)nnc12 ZINC001168964792 927587713 /nfs/dbraw/zinc/58/77/13/927587713.db2.gz WGBVVWRWFQYYQU-VXGBXAGGSA-N 1 0 289.339 1.573 20 5 CDBDRO CCOC(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)OCC ZINC001168965326 927588896 /nfs/dbraw/zinc/58/88/96/927588896.db2.gz ZTNIRIFRWAKAKY-MNOVXSKESA-N 1 0 260.334 1.421 20 5 CDBDRO CCN(CC)C(=O)[C@H](C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168966486 927589582 /nfs/dbraw/zinc/58/95/82/927589582.db2.gz INBYZQIKLGBLHT-SRVKXCTJSA-N 1 0 271.361 1.278 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cn3ccccc3n2)C1 ZINC001168968149 927590853 /nfs/dbraw/zinc/59/08/53/927590853.db2.gz WQKNSIFKNMUOAZ-NEPJUHHUSA-N 1 0 274.324 1.869 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H](CO)Cc2ccc(O)cc2)C1 ZINC001168975231 927599189 /nfs/dbraw/zinc/59/91/89/927599189.db2.gz VDKOUCNROSKVOY-BFHYXJOUSA-N 1 0 294.351 1.331 20 5 CDBDRO CC(C)CN1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168996012 927602909 /nfs/dbraw/zinc/60/29/09/927602909.db2.gz TZVQSASFVHENIF-MJBXVCDLSA-N 1 0 269.389 1.752 20 5 CDBDRO CCOc1cc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)ncn1 ZINC001168997001 927603565 /nfs/dbraw/zinc/60/35/65/927603565.db2.gz AWHNJNAJIBJFLO-GHMZBOCLSA-N 1 0 280.328 1.410 20 5 CDBDRO COc1cnccc1CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169002738 927605690 /nfs/dbraw/zinc/60/56/90/927605690.db2.gz MBYLJDRBDDNPGR-YPMHNXCESA-N 1 0 279.340 1.668 20 5 CDBDRO CC(C)Oc1ccnc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001169006260 927607756 /nfs/dbraw/zinc/60/77/56/927607756.db2.gz GLCNOXZKCVDQAC-VXGBXAGGSA-N 1 0 294.355 1.799 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(C3CC3)CC2)C1 ZINC001169007380 927611260 /nfs/dbraw/zinc/61/12/60/927611260.db2.gz MZAZLKKFKLBIAL-YPMHNXCESA-N 1 0 253.346 1.212 20 5 CDBDRO COC(=O)[C@H]1CCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169010333 927614685 /nfs/dbraw/zinc/61/46/85/927614685.db2.gz CUBVCLZXQSELHT-HBNTYKKESA-N 1 0 256.302 1.069 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCN2CCC(F)CC2)C1 ZINC001168988025 927624752 /nfs/dbraw/zinc/62/47/52/927624752.db2.gz MPTUMYAQVKOSAM-YPMHNXCESA-N 1 0 273.352 1.455 20 5 CDBDRO CCCO[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169027017 927632212 /nfs/dbraw/zinc/63/22/12/927632212.db2.gz OSLAGICKGBXCCV-YNEHKIRRSA-N 1 0 256.346 1.933 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1-n1c(C)cnc1C[NH3+] ZINC001169029069 927635879 /nfs/dbraw/zinc/63/58/79/927635879.db2.gz SLSJTQBHOSSHPN-UHFFFAOYSA-N 1 0 290.279 1.334 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](n2ccnc2[C@@H]2CCC[NH2+]C2)C1 ZINC001169036004 927644565 /nfs/dbraw/zinc/64/45/65/927644565.db2.gz FAJRFFBOEVWIDS-JHJVBQTASA-N 1 0 278.356 1.968 20 5 CDBDRO C[C@@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H](C)N1C ZINC001169038417 927650498 /nfs/dbraw/zinc/65/04/98/927650498.db2.gz YSNZHVISCVJGSO-XQHKEYJVSA-N 1 0 255.362 1.456 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](Oc3cnccn3)C2)C1 ZINC001169052445 927668645 /nfs/dbraw/zinc/66/86/45/927668645.db2.gz FXVPMPAWFGRZRO-AGIUHOORSA-N 1 0 292.339 1.375 20 5 CDBDRO COC(=O)[C@]1(C)CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169057963 927674732 /nfs/dbraw/zinc/67/47/32/927674732.db2.gz ZOMJOUBKCLKMCA-DMDPSCGWSA-N 1 0 270.329 1.317 20 5 CDBDRO [NH3+]Cc1cnnn1-c1ccc([N+](=O)[O-])c2cnccc21 ZINC001169309690 927946496 /nfs/dbraw/zinc/94/64/96/927946496.db2.gz JKUBGWYKEPGNET-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO [NH3+]CCc1cn(-c2ccc([N+](=O)[O-])cn2)c2cccnc12 ZINC001169700728 928352589 /nfs/dbraw/zinc/35/25/89/928352589.db2.gz WPRSGQKCMHOTPT-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO O=[N+]([O-])c1cc(NC[C@@H]2COCC[NH2+]2)cc2cc[nH]c21 ZINC001170045684 929141831 /nfs/dbraw/zinc/14/18/31/929141831.db2.gz UOGHQUJVZZRGBT-LLVKDONJSA-N 1 0 276.296 1.476 20 5 CDBDRO C[NH+](C)CC1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881816367 929905231 /nfs/dbraw/zinc/90/52/31/929905231.db2.gz FJQLFFSIESZIRU-UHFFFAOYSA-N 1 0 282.319 1.907 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC001170865088 930516244 /nfs/dbraw/zinc/51/62/44/930516244.db2.gz YJWRILQZQFVUHY-ZDUSSCGKSA-N 1 0 276.296 1.612 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118131907 937594228 /nfs/dbraw/zinc/59/42/28/937594228.db2.gz ONYRMCNWAFEPAZ-IUCAKERBSA-N 1 0 263.297 1.420 20 5 CDBDRO C[C@@H]1C[C@@H](CNc2cnc3ccc([N+](=O)[O-])cc3n2)C[NH2+]1 ZINC001155094975 937633465 /nfs/dbraw/zinc/63/34/65/937633465.db2.gz GOCZXZQUADZMDV-NXEZZACHSA-N 1 0 287.323 1.948 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCS(=O)CC2)cc1 ZINC000042354162 934205694 /nfs/dbraw/zinc/20/56/94/934205694.db2.gz FMCYXQUZOZQPOP-UHFFFAOYSA-N 1 0 282.365 1.638 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC001120548753 937808910 /nfs/dbraw/zinc/80/89/10/937808910.db2.gz YHUPFAIWNXHXJS-SECBINFHSA-N 1 0 297.380 1.902 20 5 CDBDRO CC(C)([NH3+])CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001122207418 937912913 /nfs/dbraw/zinc/91/29/13/937912913.db2.gz GZSXXERUEOUVKU-STQMWFEESA-N 1 0 291.351 1.942 20 5 CDBDRO C[C@H](C[NH3+])C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001122252131 937915697 /nfs/dbraw/zinc/91/56/97/937915697.db2.gz KYFWTMWVBUMUJF-RKDXNWHRSA-N 1 0 251.286 1.367 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001156043197 938313738 /nfs/dbraw/zinc/31/37/38/938313738.db2.gz XAOMZMIKUQQNJK-UHFFFAOYSA-N 1 0 272.268 1.424 20 5 CDBDRO CN(c1cc([N+](=O)[O-])ccn1)[C@]1(C)CCC[NH2+]C1 ZINC001156955221 938438292 /nfs/dbraw/zinc/43/82/92/938438292.db2.gz GHHSMQKEVKPZSB-GFCCVEGCSA-N 1 0 250.302 1.568 20 5 CDBDRO CN(c1cc(N)c([N+](=O)[O-])cn1)[C@]1(C)CCC[NH2+]C1 ZINC001156967812 938439905 /nfs/dbraw/zinc/43/99/05/938439905.db2.gz IOOAMBZFFVIWNE-GFCCVEGCSA-N 1 0 265.317 1.150 20 5 CDBDRO [NH3+]CCc1nnn(-c2ccc3ccc4cccnc4c3n2)n1 ZINC001156986528 938443695 /nfs/dbraw/zinc/44/36/95/938443695.db2.gz YXBJHHFTEMOYDG-UHFFFAOYSA-N 1 0 291.318 1.260 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3N)C[C@H]21 ZINC001157272551 938473535 /nfs/dbraw/zinc/47/35/35/938473535.db2.gz OHBYWCWWRKCWSM-BXKDBHETSA-N 1 0 277.328 1.102 20 5 CDBDRO O=C(Nc1ccc2c[nH+]cn2c1)c1ccc([N+](=O)[O-])cn1 ZINC001157395997 938486008 /nfs/dbraw/zinc/48/60/08/938486008.db2.gz FKWGTGOLXDZMRA-UHFFFAOYSA-N 1 0 283.247 1.890 20 5 CDBDRO Nc1nc(-n2ccc3c2CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001157449544 938493517 /nfs/dbraw/zinc/49/35/17/938493517.db2.gz SDFKINLXFIOESR-UHFFFAOYSA-N 1 0 259.269 1.008 20 5 CDBDRO [NH3+]Cc1cnn(-c2ncc(Cl)cc2[N+](=O)[O-])c1 ZINC001157471501 938497970 /nfs/dbraw/zinc/49/79/70/938497970.db2.gz GLJRFDSTWCZRAT-UHFFFAOYSA-N 1 0 253.649 1.288 20 5 CDBDRO CCC[NH+]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3N)C[C@@H]2C1 ZINC001157692337 938533330 /nfs/dbraw/zinc/53/33/30/938533330.db2.gz QANAFFFVGMBAOC-QWRGUYRKSA-N 1 0 291.355 1.350 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCCN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC001157747744 938539944 /nfs/dbraw/zinc/53/99/44/938539944.db2.gz RHHFSYPDADEVHR-NXEZZACHSA-N 1 0 287.323 1.854 20 5 CDBDRO [NH3+]C[C@]1(F)CCN(c2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001157808386 938548997 /nfs/dbraw/zinc/54/89/97/938548997.db2.gz FNFPSVUIMYUGIF-SNVBAGLBSA-N 1 0 274.683 1.520 20 5 CDBDRO Cc1cnc(C[NH3+])n1-c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001158163323 938588400 /nfs/dbraw/zinc/58/84/00/938588400.db2.gz RMCDBVMWVPUUIM-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO COc1cc(C)nc(-n2c(C)cnc2C[NH3+])c1[N+](=O)[O-] ZINC001158164857 938588970 /nfs/dbraw/zinc/58/89/70/938588970.db2.gz QRLFIWNTRWFGCR-UHFFFAOYSA-N 1 0 277.284 1.260 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCC3(C[NH2+]C3)CC2)c1 ZINC001159042690 938695944 /nfs/dbraw/zinc/69/59/44/938695944.db2.gz KICLMMJZRSGQII-UHFFFAOYSA-N 1 0 298.730 1.071 20 5 CDBDRO OC[C@H]1C[NH2+]C[C@@H]1Nc1ccc2ccc3cccnc3c2n1 ZINC001159670464 938743669 /nfs/dbraw/zinc/74/36/69/938743669.db2.gz FNPVHNYJBFQHLN-KGLIPLIRSA-N 1 0 294.358 1.775 20 5 CDBDRO COc1cc(NC[C@H]2CCCC[NH2+]2)ncc1[N+](=O)[O-] ZINC001160144498 938771133 /nfs/dbraw/zinc/77/11/33/938771133.db2.gz DNQPUVORJBYPII-SECBINFHSA-N 1 0 266.301 1.552 20 5 CDBDRO COc1cc(C)nc(Nc2ccc(C[NH3+])nc2)c1[N+](=O)[O-] ZINC001160402447 938784789 /nfs/dbraw/zinc/78/47/89/938784789.db2.gz UYOBJEXTIJJJIH-UHFFFAOYSA-N 1 0 289.295 1.904 20 5 CDBDRO COc1nc(N[C@@H](C[NH3+])C(C)(C)C)ccc1[N+](=O)[O-] ZINC001160911947 938842716 /nfs/dbraw/zinc/84/27/16/938842716.db2.gz GUSWXGWLDZMFDF-VIFPVBQESA-N 1 0 268.317 1.784 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCC[C@H]1CCC[N@H+]1C ZINC001160971205 938853132 /nfs/dbraw/zinc/85/31/32/938853132.db2.gz ZAWNVTLGLOAPJS-LLVKDONJSA-N 1 0 280.328 1.433 20 5 CDBDRO COc1cc([N+](=O)[O-])c(NC[C@@H]2C[C@H](F)C[NH2+]2)cc1F ZINC001162477081 939064829 /nfs/dbraw/zinc/06/48/29/939064829.db2.gz CFAWNVNDNPNJQJ-YUMQZZPRSA-N 1 0 287.266 1.854 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1-n1nccc1C[NH3+] ZINC001162593666 939096894 /nfs/dbraw/zinc/09/68/94/939096894.db2.gz OQJVEUKNOUJLFO-UHFFFAOYSA-N 1 0 276.252 1.026 20 5 CDBDRO [NH3+]Cc1ccnn1-c1ccc2nsnc2c1[N+](=O)[O-] ZINC001162593268 939097966 /nfs/dbraw/zinc/09/79/66/939097966.db2.gz FFPGGCCUBLNYSV-UHFFFAOYSA-N 1 0 276.281 1.244 20 5 CDBDRO CN1CCc2c(-n3nccc3C[NH3+])ccc([N+](=O)[O-])c2C1 ZINC001162597421 939099387 /nfs/dbraw/zinc/09/93/87/939099387.db2.gz OTOVTXTVYFQBCM-UHFFFAOYSA-N 1 0 287.323 1.227 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001162983650 939169258 /nfs/dbraw/zinc/16/92/58/939169258.db2.gz ITZSBRPNTLQABB-WCQYABFASA-N 1 0 277.328 1.728 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H]1COCCC12C[NH2+]C2 ZINC001163073754 939190913 /nfs/dbraw/zinc/19/09/13/939190913.db2.gz QTGFWGMSVRSMCM-GFCCVEGCSA-N 1 0 277.324 1.694 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163172457 939219708 /nfs/dbraw/zinc/21/97/08/939219708.db2.gz SCDRZYDLXGAHEG-BZPMIXESSA-N 1 0 291.351 1.940 20 5 CDBDRO C[NH2+]C1CN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC001163707840 939312256 /nfs/dbraw/zinc/31/22/56/939312256.db2.gz YKVUMAPMBQSNQB-UHFFFAOYSA-N 1 0 258.281 1.551 20 5 CDBDRO C[C@H]1CC[C@@H](C[NH3+])N(c2cc([N+](=O)[O-])ccn2)C1 ZINC001164063106 939403219 /nfs/dbraw/zinc/40/32/19/939403219.db2.gz QOGZWCNAKWKHAE-ONGXEEELSA-N 1 0 250.302 1.553 20 5 CDBDRO C[C@H]1CC[C@@H](C[NH3+])N(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001164072211 939405722 /nfs/dbraw/zinc/40/57/22/939405722.db2.gz YAJLQKDLOAQXMJ-IUCAKERBSA-N 1 0 295.299 1.462 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1N(CCC[NH3+])C(C)C ZINC001164122444 939413421 /nfs/dbraw/zinc/41/34/21/939413421.db2.gz CVXZOPRVMGQTFG-UHFFFAOYSA-N 1 0 268.317 1.562 20 5 CDBDRO CCC1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001164457023 939474594 /nfs/dbraw/zinc/47/45/94/939474594.db2.gz ZBDHQSSYEJGFMI-UHFFFAOYSA-N 1 0 291.355 1.698 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC[C@H]4[NH2+]C[C@@H]43)c21 ZINC001165392608 939557660 /nfs/dbraw/zinc/55/76/60/939557660.db2.gz CLYXPYVYCHTXPH-SKDRFNHKSA-N 1 0 285.307 1.479 20 5 CDBDRO CCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001205230383 939839951 /nfs/dbraw/zinc/83/99/51/939839951.db2.gz PIMXIRDMDLWGOF-CHWSQXEVSA-N 1 0 283.372 1.280 20 5 CDBDRO Nc1ccc(O[C@H]2C[NH2+]CC[C@@H]2F)cc1[N+](=O)[O-] ZINC001217958426 941031993 /nfs/dbraw/zinc/03/19/93/941031993.db2.gz FCGYOYRBPHNNNV-KWQFWETISA-N 1 0 255.249 1.256 20 5 CDBDRO CC(=O)Cc1c(F)c(O[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001218285344 941052200 /nfs/dbraw/zinc/05/22/00/941052200.db2.gz KMSURVOEPIVEIO-JTQLQIEISA-N 1 0 296.298 1.996 20 5 CDBDRO CN(CC1CC[NH2+]CC1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001524112410 970798728 /nfs/dbraw/zinc/79/87/28/970798728.db2.gz JPZYMWOWRORJRE-UHFFFAOYSA-N 1 0 295.314 1.806 20 5 CDBDRO O=C(COc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000313497385 941384362 /nfs/dbraw/zinc/38/43/62/941384362.db2.gz KBZOBTJGFVJZHN-UHFFFAOYSA-N 1 0 299.714 1.059 20 5 CDBDRO COc1cc(CO[C@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001223393093 941674673 /nfs/dbraw/zinc/67/46/73/941674673.db2.gz KBVGGFDZPIAEPJ-LBPRGKRZSA-N 1 0 266.297 1.824 20 5 CDBDRO COC(=O)c1cccnc1CO[C@@H](C)C[N+](C)(C)C ZINC001223437746 941677904 /nfs/dbraw/zinc/67/79/04/941677904.db2.gz CRBQJQZCYJHRFA-NSHDSACASA-N 1 0 267.349 1.480 20 5 CDBDRO C[N+](C)(C)CCOC1CCN(c2cc(Cl)ncn2)CC1 ZINC001224771473 941790165 /nfs/dbraw/zinc/79/01/65/941790165.db2.gz NBWVYVQWLSHOFP-UHFFFAOYSA-N 1 0 299.826 1.822 20 5 CDBDRO Cc1ccccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225219690 941831362 /nfs/dbraw/zinc/83/13/62/941831362.db2.gz WZGKFHATFIWAET-GFCCVEGCSA-N 1 0 252.334 1.358 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Cl)ccc1C(N)=O ZINC001225395170 941852334 /nfs/dbraw/zinc/85/23/34/941852334.db2.gz YMGRVFFINXDOPY-VIFPVBQESA-O 1 0 271.768 1.912 20 5 CDBDRO CN1[C@@H]2C[C@@H](Oc3ccc(F)cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225905058 941927325 /nfs/dbraw/zinc/92/73/25/941927325.db2.gz OIOCUBSFQYRRFC-DRCTWCGVSA-N 1 0 294.282 1.917 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cnccc1NC(=O)C(C)(C)C ZINC001226096132 941950778 /nfs/dbraw/zinc/95/07/78/941950778.db2.gz JXQACRNTUQQQDK-LBPRGKRZSA-O 1 0 294.419 1.962 20 5 CDBDRO CCOC(=O)c1cc(O[C@@H](C)C[N+](C)(C)C)n(C)n1 ZINC001226560368 942026105 /nfs/dbraw/zinc/02/61/05/942026105.db2.gz DMYAWAALHZZPQA-JTQLQIEISA-N 1 0 270.353 1.070 20 5 CDBDRO CCCc1ccc(O)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227151091 942141917 /nfs/dbraw/zinc/14/19/17/942141917.db2.gz XMSXPBSZRSGINI-CQSZACIVSA-O 1 0 296.387 1.707 20 5 CDBDRO CCOC(=O)c1cc(O)c(O[C@H](C)C[N+](C)(C)C)c(O)c1 ZINC001227395557 942172606 /nfs/dbraw/zinc/17/26/06/942172606.db2.gz PSRKMHFNDVDGJZ-SNVBAGLBSA-O 1 0 298.359 1.748 20 5 CDBDRO CCc1ccccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227681847 942201683 /nfs/dbraw/zinc/20/16/83/942201683.db2.gz PWMWEDFVVCVCKE-CYBMUJFWSA-N 1 0 266.361 1.612 20 5 CDBDRO C[NH+]1CCC(Oc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001227742086 942215712 /nfs/dbraw/zinc/21/57/12/942215712.db2.gz VSCYHHZMLDAXDF-UHFFFAOYSA-N 1 0 276.296 1.944 20 5 CDBDRO CC(=O)c1c(F)cccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228098527 942268287 /nfs/dbraw/zinc/26/82/87/942268287.db2.gz XOFXBPLCOMQFBG-LLVKDONJSA-N 1 0 298.334 1.391 20 5 CDBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1nc[nH]c(=O)c1[N+](=O)[O-])C2 ZINC001228143333 942274964 /nfs/dbraw/zinc/27/49/64/942274964.db2.gz KYNLUGITARMESF-AYMMMOKOSA-N 1 0 280.284 1.094 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ncn(-c2cccc(Cl)n2)n1 ZINC001228445279 942318107 /nfs/dbraw/zinc/31/81/07/942318107.db2.gz GTZQLRIJRHGPSV-SNVBAGLBSA-N 1 0 296.782 1.789 20 5 CDBDRO COC(=O)c1cc(O[C@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001228769704 942373423 /nfs/dbraw/zinc/37/34/23/942373423.db2.gz YATDQBDCAFPNFW-NSHDSACASA-N 1 0 280.280 1.464 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC001230312165 942604390 /nfs/dbraw/zinc/60/43/90/942604390.db2.gz DDOUHTUBEKPTID-SECBINFHSA-N 1 0 281.268 1.976 20 5 CDBDRO Cc1ccnc([N+](=O)[O-])c1O[C@@H](C)C[N+](C)(C)C ZINC001233557749 943616913 /nfs/dbraw/zinc/61/69/13/943616913.db2.gz VSHHWDWVHPRPAG-JTQLQIEISA-N 1 0 254.310 1.772 20 5 CDBDRO C[C@H](C[NH+](C)C)Oc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 ZINC001233702052 943644067 /nfs/dbraw/zinc/64/40/67/943644067.db2.gz JWWIMCUOSORBJH-MRVPVSSYSA-N 1 0 269.257 1.832 20 5 CDBDRO CC[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001263197277 943783252 /nfs/dbraw/zinc/78/32/52/943783252.db2.gz QUOBPRJQKSJHOQ-UWVGGRQHSA-N 1 0 265.313 1.770 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2c(C)nccc2[N+](=O)[O-])C1 ZINC001234901723 943968146 /nfs/dbraw/zinc/96/81/46/943968146.db2.gz QXOMFXGSCMNCHE-JTQLQIEISA-N 1 0 251.286 1.771 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COCC[C@@H]1O ZINC001254537729 947515649 /nfs/dbraw/zinc/51/56/49/947515649.db2.gz GZKBCAXBZXCVFV-JKOKRWQUSA-N 1 0 280.324 1.265 20 5 CDBDRO CCC(CO)(CO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254538202 947516246 /nfs/dbraw/zinc/51/62/46/947516246.db2.gz RHXOTGHQHRMBQA-NSHDSACASA-N 1 0 282.340 1.249 20 5 CDBDRO COC(=O)[C@@H]1C[C@H]1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254548483 947520427 /nfs/dbraw/zinc/52/04/27/947520427.db2.gz MOUBDZLRWCXFNP-KGYLQXTDSA-N 1 0 292.335 1.925 20 5 CDBDRO CC(=O)OCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254549588 947522999 /nfs/dbraw/zinc/52/29/99/947522999.db2.gz UDDUWRIPXBQYBF-JTQLQIEISA-N 1 0 266.297 1.679 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](O)C[C@H]1C ZINC001254553732 947525839 /nfs/dbraw/zinc/52/58/39/947525839.db2.gz XYDLWLXXZPCWPE-NQBHXWOUSA-N 1 0 264.325 1.981 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[C@H](O)C1)C2 ZINC001254565144 947527660 /nfs/dbraw/zinc/52/76/60/947527660.db2.gz CAKKMSDKUHXXJX-SCRDCRAPSA-N 1 0 262.309 1.565 20 5 CDBDRO COC(C)(C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)OC ZINC001254577836 947536136 /nfs/dbraw/zinc/53/61/36/947536136.db2.gz HAWBCMSJSVHZLG-GFCCVEGCSA-N 1 0 280.324 1.661 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCCn1cncn1)C2 ZINC001254588003 947541778 /nfs/dbraw/zinc/54/17/78/947541778.db2.gz UOVVLXSDYIRDGH-ZDUSSCGKSA-N 1 0 287.323 1.333 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCc1nncs1)C2 ZINC001254588455 947543740 /nfs/dbraw/zinc/54/37/40/947543740.db2.gz YYVGBBKFJXROJE-LLVKDONJSA-N 1 0 290.348 1.746 20 5 CDBDRO C[N@H+]([C@@H]1CCOC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599002 947545073 /nfs/dbraw/zinc/54/50/73/947545073.db2.gz JDTXXELGYWIBHH-ZIAGYGMSSA-N 1 0 262.309 1.783 20 5 CDBDRO Cc1nnc(C[NH3+])n1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601073 947550138 /nfs/dbraw/zinc/55/01/38/947550138.db2.gz XYIVAYKBRODPJJ-GFCCVEGCSA-N 1 0 273.296 1.293 20 5 CDBDRO C[C@@H]1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1[NH3+] ZINC001246561236 948273152 /nfs/dbraw/zinc/27/31/52/948273152.db2.gz JOEFDXFLPZMIQR-OWYVNGRQSA-N 1 0 261.325 1.341 20 5 CDBDRO [NH3+][C@@H]1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC(F)(F)C1 ZINC001246573692 948295669 /nfs/dbraw/zinc/29/56/69/948295669.db2.gz LQQMGVCOQIHEQY-WCQYABFASA-N 1 0 297.305 1.730 20 5 CDBDRO NC[C@]1(F)CCCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246572797 948295726 /nfs/dbraw/zinc/29/57/26/948295726.db2.gz BIGDWEADDUWPAJ-JHJVBQTASA-N 1 0 273.352 1.585 20 5 CDBDRO CC[N@H+](C)C[C@H](O)CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327054373 954681428 /nfs/dbraw/zinc/68/14/28/954681428.db2.gz SYIFYYWBQKTCKV-AWEZNQCLSA-N 1 0 279.340 1.223 20 5 CDBDRO CC1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC001305870354 956282444 /nfs/dbraw/zinc/28/24/44/956282444.db2.gz HALMGEOESPXJCF-NXEZZACHSA-N 1 0 269.345 1.031 20 5 CDBDRO O=[N+]([O-])CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001308086946 956465319 /nfs/dbraw/zinc/46/53/19/956465319.db2.gz KOQXCOQNWONACQ-CVEARBPZSA-N 1 0 289.379 1.717 20 5 CDBDRO O=C([C@@H]1[NH2+]C[C@@H]2C[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001332293397 957508395 /nfs/dbraw/zinc/50/83/95/957508395.db2.gz YWHMKIDAGWWOBG-LEWSCRJBSA-N 1 0 287.319 1.087 20 5 CDBDRO COC[C@@H]1CC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001336685073 960465740 /nfs/dbraw/zinc/46/57/40/960465740.db2.gz ANIBLZBTIOKNRA-SNVBAGLBSA-N 1 0 296.323 1.777 20 5 CDBDRO Cc1nc(NC[C@@H]2CCCC[N@H+]2C)ncc1[N+](=O)[O-] ZINC001336764601 960561420 /nfs/dbraw/zinc/56/14/20/960561420.db2.gz MHSKKTJEEKEKGW-JTQLQIEISA-N 1 0 265.317 1.589 20 5 CDBDRO C[C@@H](c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C)[N+](=O)[O-] ZINC001338831788 962022423 /nfs/dbraw/zinc/02/24/23/962022423.db2.gz BLQRPFLLAWIIDK-JTQLQIEISA-N 1 0 296.375 1.073 20 5 CDBDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C1 ZINC001342134914 963649628 /nfs/dbraw/zinc/64/96/28/963649628.db2.gz GQTDUMNCFNQWOD-GXTWGEPZSA-N 1 0 293.323 1.609 20 5 CDBDRO Cc1cc(C(=O)NC2CC3(CC([NH3+])C3)C2)cc([N+](=O)[O-])c1 ZINC001343530810 964028678 /nfs/dbraw/zinc/02/86/78/964028678.db2.gz AAXFHEWYFSXWJS-UHFFFAOYSA-N 1 0 289.335 1.903 20 5 CDBDRO C[C@H](CNC(=O)[C@H]1CC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001345329357 964670027 /nfs/dbraw/zinc/67/00/27/964670027.db2.gz XVWLBZRQXNMCDW-MWLCHTKSSA-N 1 0 263.297 1.176 20 5 CDBDRO O=C(NC[C@@H]1CCCCC[NH2+]1)c1ccc([N+](=O)[O-])s1 ZINC001345534728 964736528 /nfs/dbraw/zinc/73/65/28/964736528.db2.gz AZQGPRYLOFYVIS-VIFPVBQESA-N 1 0 283.353 1.918 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001345810938 964823400 /nfs/dbraw/zinc/82/34/00/964823400.db2.gz WFLOVQIBMFFYIX-NSHDSACASA-N 1 0 279.340 1.642 20 5 CDBDRO O=C(C[C@@H]1CC[NH2+]C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001346046900 964896945 /nfs/dbraw/zinc/89/69/45/964896945.db2.gz MRQHNEHUOMINSC-JTQLQIEISA-N 1 0 275.308 1.437 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NC[C@@]1([NH+](C)C)CCSC1 ZINC001346073198 964907511 /nfs/dbraw/zinc/90/75/11/964907511.db2.gz WEJPOMCZYMZGNS-ZDUSSCGKSA-N 1 0 296.396 1.569 20 5 CDBDRO Cc1nc(N[C@H]2CCCC[C@H]2[NH+](C)C)ncc1[N+](=O)[O-] ZINC001347827014 965715725 /nfs/dbraw/zinc/71/57/25/965715725.db2.gz OJJGHAIJQVKFHR-WDEREUQCSA-N 1 0 279.344 1.978 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCC(F)F)c1 ZINC001353286635 967860358 /nfs/dbraw/zinc/86/03/58/967860358.db2.gz DBEFIHZLMHASMC-SNVBAGLBSA-N 1 0 260.240 1.873 20 5 CDBDRO Cc1cc(NC(=O)[C@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001522828439 970580788 /nfs/dbraw/zinc/58/07/88/970580788.db2.gz ZNVSXYXXHLOSHT-JTQLQIEISA-N 1 0 263.297 1.793 20 5 CDBDRO C[C@H](OC(=O)[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC001573589680 1170700566 /nfs/dbraw/zinc/70/05/66/1170700566.db2.gz IFDQMXGVJBPOAI-GXSJLCMTSA-N 1 0 264.281 1.809 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC001578361258 1171885303 /nfs/dbraw/zinc/88/53/03/1171885303.db2.gz HKBLMZIDLINFBC-UWVGGRQHSA-N 1 0 297.359 1.645 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000586759887 342467001 /nfs/dbraw/zinc/46/70/01/342467001.db2.gz DIIBJWITVOBYIK-SNVBAGLBSA-N 1 0 293.327 1.018 20 5 CDBDRO COCC[N@@H+]1CC[C@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000601114931 342471767 /nfs/dbraw/zinc/47/17/67/342471767.db2.gz BHAWBNJQTRXSMT-VIFPVBQESA-N 1 0 271.342 1.789 20 5 CDBDRO CC1(C)C[C@H]([NH2+][C@@H]2COC[C@@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000601292595 342549747 /nfs/dbraw/zinc/54/97/47/342549747.db2.gz ZHAUVEIHTPXIFC-MJBXVCDLSA-N 1 0 292.335 1.667 20 5 CDBDRO Cc1cc(NCc2cnnn2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340986294 365537079 /nfs/dbraw/zinc/53/70/79/365537079.db2.gz DEVZMBIYXOMPEZ-UHFFFAOYSA-N 1 0 298.306 1.614 20 5 CDBDRO Cc1cc(N2CC[C@H]([NH+](C)C)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000590568526 342576079 /nfs/dbraw/zinc/57/60/79/342576079.db2.gz DYFRQHJAGHTKKC-QWRGUYRKSA-N 1 0 264.329 1.827 20 5 CDBDRO Cc1nc(N2CC[C@H]([NH+](C)C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000590568555 342576164 /nfs/dbraw/zinc/57/61/64/342576164.db2.gz FSJAXRUJUZOIDR-JQWIXIFHSA-N 1 0 264.329 1.827 20 5 CDBDRO CCn1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cn1 ZINC000289808683 361783258 /nfs/dbraw/zinc/78/32/58/361783258.db2.gz NJZLMGSJUQVXFP-UHFFFAOYSA-N 1 0 289.339 1.777 20 5 CDBDRO CC[C@@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H](C)O ZINC000590659869 342581423 /nfs/dbraw/zinc/58/14/23/342581423.db2.gz LBIIMZDKYQLEBQ-MWLCHTKSSA-N 1 0 296.323 1.615 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])s3)C[C@@H]21 ZINC000590720121 342585883 /nfs/dbraw/zinc/58/58/83/342585883.db2.gz XVPFTFPUDHPJEN-SFYZADRCSA-N 1 0 254.315 1.192 20 5 CDBDRO Cn1c(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000600310092 342060965 /nfs/dbraw/zinc/06/09/65/342060965.db2.gz FXUIBRHHKUGVMR-NSHDSACASA-N 1 0 294.355 1.395 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000092954246 342061651 /nfs/dbraw/zinc/06/16/51/342061651.db2.gz YDOOCJNJFBPXOX-JQWIXIFHSA-N 1 0 277.324 1.551 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000565352681 365630194 /nfs/dbraw/zinc/63/01/94/365630194.db2.gz MZABZCJJPMJWPE-PWSUYJOCSA-N 1 0 292.339 1.474 20 5 CDBDRO Cc1ccc(CNC[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000591281653 342624368 /nfs/dbraw/zinc/62/43/68/342624368.db2.gz IUPMYCYFDJAXMW-RYUDHWBXSA-N 1 0 267.304 1.693 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591437410 342631939 /nfs/dbraw/zinc/63/19/39/342631939.db2.gz HFLOPMSXCSRZNK-SCZZXKLOSA-N 1 0 282.731 1.831 20 5 CDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000046878689 342132318 /nfs/dbraw/zinc/13/23/18/342132318.db2.gz VZHIQNPEIVAFSP-SNVBAGLBSA-N 1 0 280.328 1.385 20 5 CDBDRO COc1cc(N2CC[C@H]3CC[NH2+][C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000591439063 342632078 /nfs/dbraw/zinc/63/20/78/342632078.db2.gz RYFBHPXOLUTIKP-KOLCDFICSA-N 1 0 295.314 1.931 20 5 CDBDRO O=[N+]([O-])c1ccsc1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591439444 342632145 /nfs/dbraw/zinc/63/21/45/342632145.db2.gz VDIFDYOLEAQZFE-RKDXNWHRSA-N 1 0 253.327 1.845 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)c1 ZINC000592241959 342680830 /nfs/dbraw/zinc/68/08/30/342680830.db2.gz MMNPGOZNPLNNQU-CYBMUJFWSA-N 1 0 291.351 1.973 20 5 CDBDRO COc1cc(C(=O)N2CC[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1C ZINC000592294589 342683985 /nfs/dbraw/zinc/68/39/85/342683985.db2.gz JFFIRCVKKHTLNI-JTQLQIEISA-N 1 0 293.323 1.333 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000251293062 342155122 /nfs/dbraw/zinc/15/51/22/342155122.db2.gz WLKIUMITURYIFU-WDMOLILDSA-N 1 0 279.340 1.704 20 5 CDBDRO CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[NH2+]1 ZINC000592543774 342708760 /nfs/dbraw/zinc/70/87/60/342708760.db2.gz JCLCKADSZQQNNQ-SECBINFHSA-N 1 0 267.285 1.258 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC12CC[NH2+]CC2 ZINC000070252202 361870177 /nfs/dbraw/zinc/87/01/77/361870177.db2.gz YBJAERSONQNINQ-GFCCVEGCSA-N 1 0 275.308 1.923 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(C3CCC3)CC2)n1 ZINC000593079863 342763211 /nfs/dbraw/zinc/76/32/11/342763211.db2.gz HZAOOQROSXVJKG-UHFFFAOYSA-N 1 0 250.302 1.714 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@]2(C)CCC(=O)N2)cc1[N+](=O)[O-] ZINC000453583414 252328070 /nfs/dbraw/zinc/32/80/70/252328070.db2.gz CXYGFFKPLONWDT-AWEZNQCLSA-N 1 0 277.324 1.662 20 5 CDBDRO C[C@H]([NH3+])CCC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000070316628 361930853 /nfs/dbraw/zinc/93/08/53/361930853.db2.gz VEXILKAUYNPDMN-JTQLQIEISA-N 1 0 265.313 1.681 20 5 CDBDRO O=C(NCCC1CC[NH2+]CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000593919248 342851412 /nfs/dbraw/zinc/85/14/12/342851412.db2.gz PBZBNAFCSJAGLG-UHFFFAOYSA-N 1 0 295.314 1.853 20 5 CDBDRO Cc1ccc(NC(=O)[C@@H](N)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000593903290 342853894 /nfs/dbraw/zinc/85/38/94/342853894.db2.gz XPJINWYBBPKZBH-NSHDSACASA-N 1 0 280.328 1.121 20 5 CDBDRO Nc1nc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)ncc1[N+](=O)[O-] ZINC000594602499 342924307 /nfs/dbraw/zinc/92/43/07/342924307.db2.gz QSXLDDZRHLMWMC-VHSXEESVSA-N 1 0 292.343 1.226 20 5 CDBDRO C[NH2+]C1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCC1 ZINC000600823648 342251395 /nfs/dbraw/zinc/25/13/95/342251395.db2.gz HUXPSDBTERJKOM-UHFFFAOYSA-N 1 0 281.287 1.606 20 5 CDBDRO CC(C)(C)[C@H]([NH3+])c1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594650195 342932157 /nfs/dbraw/zinc/93/21/57/342932157.db2.gz VDBYNEOWIGOZTN-LLVKDONJSA-N 1 0 276.300 1.616 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@H]21 ZINC000125696491 187196491 /nfs/dbraw/zinc/19/64/91/187196491.db2.gz MSKOMYPYVMPYBK-IVZWLZJFSA-N 1 0 279.296 1.387 20 5 CDBDRO Cc1ccc(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000127839914 342286695 /nfs/dbraw/zinc/28/66/95/342286695.db2.gz VIQMGPVEVNMGGE-ZWNOBZJWSA-N 1 0 293.323 1.091 20 5 CDBDRO Cc1cnc(NCC2([NH3+])CCCC2)c([N+](=O)[O-])c1 ZINC000594692200 342942863 /nfs/dbraw/zinc/94/28/63/342942863.db2.gz OKMULILELQGGOO-UHFFFAOYSA-N 1 0 250.302 1.982 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(C)(C)C(N)=O ZINC000595024562 342996539 /nfs/dbraw/zinc/99/65/39/342996539.db2.gz AKPRVFLAQGRHHM-VIFPVBQESA-N 1 0 295.339 1.766 20 5 CDBDRO COC[C@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595037074 342997878 /nfs/dbraw/zinc/99/78/78/342997878.db2.gz AYHLKYWBGMIYKY-ZJUUUORDSA-N 1 0 284.312 1.261 20 5 CDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CNC(=O)C1 ZINC000595483366 343065373 /nfs/dbraw/zinc/06/53/73/343065373.db2.gz GLHIOXQKBUNERT-NSHDSACASA-N 1 0 277.324 1.205 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000619531103 349793163 /nfs/dbraw/zinc/79/31/63/349793163.db2.gz BPUOMCPFEQJRGU-RYUDHWBXSA-N 1 0 277.324 1.255 20 5 CDBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(CCn1cc([N+](=O)[O-])cn1)C2 ZINC000595503695 343079161 /nfs/dbraw/zinc/07/91/61/343079161.db2.gz AGGCBDHNQBFOBG-CQSZACIVSA-N 1 0 293.371 1.209 20 5 CDBDRO CCC[N@H+](C)C[C@@H]1CCN(c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000078563443 342338388 /nfs/dbraw/zinc/33/83/88/342338388.db2.gz YKWVLFZCPZAKTN-LBPRGKRZSA-N 1 0 295.387 1.805 20 5 CDBDRO O=[N+]([O-])c1cc(CNC[C@@H](O)C(F)(F)F)cs1 ZINC000225587509 365712629 /nfs/dbraw/zinc/71/26/29/365712629.db2.gz RZCNCLCUXRLFES-ZCFIWIBFSA-N 1 0 270.232 1.669 20 5 CDBDRO Cc1cnc(N2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000078629433 342338906 /nfs/dbraw/zinc/33/89/06/342338906.db2.gz SMBHODIROHCRKV-UHFFFAOYSA-N 1 0 264.329 1.829 20 5 CDBDRO Cc1cc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])s1 ZINC000596081987 343220376 /nfs/dbraw/zinc/22/03/76/343220376.db2.gz FUTCMYMTEDTWSI-IUCAKERBSA-N 1 0 253.327 1.620 20 5 CDBDRO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC(C)(C)[NH3+] ZINC000595901336 343187122 /nfs/dbraw/zinc/18/71/22/343187122.db2.gz DZPMOIQOSYGSAZ-UHFFFAOYSA-N 1 0 294.355 1.227 20 5 CDBDRO COc1ccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000595950166 343194126 /nfs/dbraw/zinc/19/41/26/343194126.db2.gz BCKCGMGASJAXFO-ZKCHVHJHSA-N 1 0 265.269 1.279 20 5 CDBDRO C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596112914 343230355 /nfs/dbraw/zinc/23/03/55/343230355.db2.gz WQWXULWLVNNBNW-SECBINFHSA-N 1 0 278.312 1.057 20 5 CDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ncc([N+](=O)[O-])s1 ZINC000596243854 343285545 /nfs/dbraw/zinc/28/55/45/343285545.db2.gz LNTMVLIPIRHVMK-JGVFFNPUSA-N 1 0 256.331 1.580 20 5 CDBDRO C[NH2+]C[C@H](C)N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000596652803 343371840 /nfs/dbraw/zinc/37/18/40/343371840.db2.gz IBVMNMGAKCHAMO-MNOVXSKESA-N 1 0 294.355 1.509 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000142258877 342434735 /nfs/dbraw/zinc/43/47/35/342434735.db2.gz HSUKZIRXQOOQIG-AWEZNQCLSA-N 1 0 289.335 1.905 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000619579003 349810409 /nfs/dbraw/zinc/81/04/09/349810409.db2.gz YONFMWHVWXUSJH-JTQLQIEISA-N 1 0 280.328 1.479 20 5 CDBDRO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000597993942 343683583 /nfs/dbraw/zinc/68/35/83/343683583.db2.gz WJGLKUVTDVTDIU-SECBINFHSA-N 1 0 283.303 1.804 20 5 CDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000111829195 365797503 /nfs/dbraw/zinc/79/75/03/365797503.db2.gz OJTZMAOUKCHODT-LBPRGKRZSA-N 1 0 279.340 1.627 20 5 CDBDRO CC(C)[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000598576653 343834005 /nfs/dbraw/zinc/83/40/05/343834005.db2.gz YIJYDYNYFYBPJM-NSHDSACASA-N 1 0 292.339 1.247 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC1([NH2+]C)CCC1 ZINC000598632201 343849637 /nfs/dbraw/zinc/84/96/37/343849637.db2.gz BBUPSRZRRKQGEQ-UHFFFAOYSA-N 1 0 267.333 1.674 20 5 CDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2 ZINC000598668240 343871224 /nfs/dbraw/zinc/87/12/24/343871224.db2.gz QZOXYQWFTRLFSR-DOMZBBRYSA-N 1 0 289.335 1.477 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000599007371 343938481 /nfs/dbraw/zinc/93/84/81/343938481.db2.gz PTOGYRIVWIUSMC-MPPADUOGSA-N 1 0 262.309 1.969 20 5 CDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000598915768 343919541 /nfs/dbraw/zinc/91/95/41/343919541.db2.gz ONYMQTZAZMOYQA-HZMBPMFUSA-N 1 0 290.323 1.940 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915467 343919556 /nfs/dbraw/zinc/91/95/56/343919556.db2.gz MJEPCFWTKAMJFS-ZETCQYMHSA-N 1 0 286.719 1.965 20 5 CDBDRO CN(CCOCC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599603367 344100604 /nfs/dbraw/zinc/10/06/04/344100604.db2.gz DSJGLRPAODOCNO-UHFFFAOYSA-N 1 0 282.300 1.034 20 5 CDBDRO CCN(C(=O)c1cc([N+](=O)[O-])cn1C)C1CC[NH+](C)CC1 ZINC000599985261 344159822 /nfs/dbraw/zinc/15/98/22/344159822.db2.gz BCYZIAFPYTXXOH-UHFFFAOYSA-N 1 0 294.355 1.490 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2C3CCC2CC3)c1 ZINC000602150316 344351841 /nfs/dbraw/zinc/35/18/41/344351841.db2.gz GJDXBIGVQUJXOL-YIZWMMSDSA-N 1 0 292.335 1.961 20 5 CDBDRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000601974458 344301505 /nfs/dbraw/zinc/30/15/05/344301505.db2.gz JIQMJGHEICQRFM-BETUJISGSA-N 1 0 262.309 1.981 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC[C@H]4C[NH2+]C[C@H]43)c21 ZINC000601981313 344307003 /nfs/dbraw/zinc/30/70/03/344307003.db2.gz UURFRCLGIZCQSK-GXFFZTMASA-N 1 0 299.334 1.726 20 5 CDBDRO O=C(NC1CC[NH2+]CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000602421931 344419979 /nfs/dbraw/zinc/41/99/79/344419979.db2.gz PYEZOMYPENVBJA-UHFFFAOYSA-N 1 0 267.260 1.216 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602423480 344420976 /nfs/dbraw/zinc/42/09/76/344420976.db2.gz ZEMQCYISVZKFJJ-MRVPVSSYSA-N 1 0 267.260 1.297 20 5 CDBDRO O=C(NCC1CC[NH2+]CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000602425342 344421705 /nfs/dbraw/zinc/42/17/05/344421705.db2.gz QNWDCRQOMWROJV-UHFFFAOYSA-N 1 0 281.287 1.463 20 5 CDBDRO [NH3+]C1(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000602485376 344449040 /nfs/dbraw/zinc/44/90/40/344449040.db2.gz OGECNQVIZHNFDU-UHFFFAOYSA-N 1 0 267.260 1.345 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000417979752 529983632 /nfs/dbraw/zinc/98/36/32/529983632.db2.gz JOEMECHECOMLJW-MNOVXSKESA-N 1 0 294.355 1.811 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602488773 344450519 /nfs/dbraw/zinc/45/05/19/344450519.db2.gz ZUZSMTOPRUCWAE-RKDXNWHRSA-N 1 0 281.287 1.734 20 5 CDBDRO CCC[C@H](C[NH2+]CCn1cc([N+](=O)[O-])cn1)OC ZINC000602567509 344483730 /nfs/dbraw/zinc/48/37/30/344483730.db2.gz FEZMZPSBGOXCGS-LLVKDONJSA-N 1 0 256.306 1.196 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CO)CCF)cc1 ZINC000602714544 344554807 /nfs/dbraw/zinc/55/48/07/344554807.db2.gz ZLTGDNDGYDMNDQ-NSHDSACASA-N 1 0 256.277 1.447 20 5 CDBDRO Cc1cc(CN(C)CCn2c(C)ncc2[N+](=O)[O-])no1 ZINC000602762477 344583309 /nfs/dbraw/zinc/58/33/09/344583309.db2.gz JIMGYEYPZBDFST-UHFFFAOYSA-N 1 0 279.300 1.528 20 5 CDBDRO CON1CCC([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602840491 344621826 /nfs/dbraw/zinc/62/18/26/344621826.db2.gz IKXWISVZZLZFTR-UHFFFAOYSA-N 1 0 297.359 1.057 20 5 CDBDRO CO[C@@](C)([C@@H](C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602843887 344622576 /nfs/dbraw/zinc/62/25/76/344622576.db2.gz KXLLHZIONRHSSZ-YGRLFVJLSA-N 1 0 296.371 1.893 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC(C)(C)CC[C@H]1CO ZINC000602912346 344646376 /nfs/dbraw/zinc/64/63/76/344646376.db2.gz JIDPKEOPRRAEAH-LBPRGKRZSA-N 1 0 296.371 1.583 20 5 CDBDRO C[NH2+][C@H](C)c1cn(CCOc2ccc([N+](=O)[O-])cc2)nn1 ZINC000603200848 344732914 /nfs/dbraw/zinc/73/29/14/344732914.db2.gz JMKNKVLWCDYPDK-SNVBAGLBSA-N 1 0 291.311 1.546 20 5 CDBDRO C[NH+]1CCC(CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000023013409 530049461 /nfs/dbraw/zinc/04/94/61/530049461.db2.gz FWMBPDIRJLSREK-UHFFFAOYSA-N 1 0 277.324 1.666 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000314490233 344912118 /nfs/dbraw/zinc/91/21/18/344912118.db2.gz INZKJWBKDWBHEJ-MWLCHTKSSA-N 1 0 292.339 1.342 20 5 CDBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000604539698 344899264 /nfs/dbraw/zinc/89/92/64/344899264.db2.gz CUEPLBBFIXTXIM-LLVKDONJSA-N 1 0 264.329 1.957 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000344048926 362539571 /nfs/dbraw/zinc/53/95/71/362539571.db2.gz ZHHUCHGNYBCBSJ-PKFCDNJMSA-N 1 0 280.299 1.937 20 5 CDBDRO [NH3+][C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000129232531 345274314 /nfs/dbraw/zinc/27/43/14/345274314.db2.gz XDSHYPLQIDUSFX-SECBINFHSA-N 1 0 283.715 1.715 20 5 CDBDRO C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])cc2F)CC[NH2+]C1 ZINC000230732209 345440398 /nfs/dbraw/zinc/44/03/98/345440398.db2.gz JXIWEFUSVTWHFY-GFCCVEGCSA-N 1 0 267.260 1.216 20 5 CDBDRO C[C@@H]1C[NH+](CCCNc2ncccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000073448666 345460325 /nfs/dbraw/zinc/46/03/25/345460325.db2.gz OEPNEGOYVAAHOH-VXGBXAGGSA-N 1 0 294.355 1.901 20 5 CDBDRO COC[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000265776497 362602521 /nfs/dbraw/zinc/60/25/21/362602521.db2.gz JQNTUCVWOAMMFE-GFCCVEGCSA-N 1 0 280.324 1.942 20 5 CDBDRO CC(C)C1C[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000619506658 345779947 /nfs/dbraw/zinc/77/99/47/345779947.db2.gz BBADPMVIMVTSMS-AWEZNQCLSA-N 1 0 294.351 1.922 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](C2CCCCC2)CC1 ZINC000610808777 346440823 /nfs/dbraw/zinc/44/08/23/346440823.db2.gz IGROTXCYFOSSMP-UHFFFAOYSA-N 1 0 293.371 1.783 20 5 CDBDRO CC(C)NC(=O)CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606683 347234569 /nfs/dbraw/zinc/23/45/69/347234569.db2.gz QJPKFFXCIQEDHX-UHFFFAOYSA-N 1 0 291.351 1.868 20 5 CDBDRO C[NH+](C)CC1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000612778938 347282305 /nfs/dbraw/zinc/28/23/05/347282305.db2.gz KQNWJQRJSYQYCX-UHFFFAOYSA-N 1 0 265.317 1.163 20 5 CDBDRO COc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c([N+](=O)[O-])cc1O ZINC000152965118 347641363 /nfs/dbraw/zinc/64/13/63/347641363.db2.gz BYPSQOMNWIGWOK-BREBYQMCSA-N 1 0 294.307 1.719 20 5 CDBDRO C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CCC[NH2+]C1 ZINC000128931663 187399718 /nfs/dbraw/zinc/39/97/18/187399718.db2.gz CKKACEHDXNTZPF-CQSZACIVSA-N 1 0 295.314 1.853 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])c[nH]1 ZINC000046996467 348803403 /nfs/dbraw/zinc/80/34/03/348803403.db2.gz OSKTZXGMJLUVHD-ZYHUDNBSSA-N 1 0 278.312 1.280 20 5 CDBDRO CC[C@H](CSC)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000091099889 180097497 /nfs/dbraw/zinc/09/74/97/180097497.db2.gz CHQBVBBDXFMMRA-SNVBAGLBSA-N 1 0 272.374 1.865 20 5 CDBDRO CCc1nn(C)c(NC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000091561059 180192178 /nfs/dbraw/zinc/19/21/78/180192178.db2.gz MOFUVHGLYZIWJU-QMMMGPOBSA-N 1 0 255.322 1.253 20 5 CDBDRO C[C@@H](Nc1c([N+](=O)[O-])ncn1C)[C@H]1CCC[NH2+]C1 ZINC000106402530 186115076 /nfs/dbraw/zinc/11/50/76/186115076.db2.gz MFRPMHMKOTWVDJ-BDAKNGLRSA-N 1 0 253.306 1.128 20 5 CDBDRO Cc1c(Br)c(NCC[NH3+])ncc1[N+](=O)[O-] ZINC000167044524 362963291 /nfs/dbraw/zinc/96/32/91/362963291.db2.gz HUSNEVRZZRWKEK-UHFFFAOYSA-N 1 0 275.106 1.431 20 5 CDBDRO CC(C)(C)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000109329964 186248865 /nfs/dbraw/zinc/24/88/65/186248865.db2.gz LDKGRDCYJOHZQR-NSHDSACASA-N 1 0 265.313 1.584 20 5 CDBDRO C[C@@H]1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCS1(=O)=O ZINC000311873020 350727517 /nfs/dbraw/zinc/72/75/17/350727517.db2.gz LYTZUMGPHAWECE-BXKDBHETSA-N 1 0 284.337 1.260 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]([NH3+])CC(F)F)cccc1[N+](=O)[O-] ZINC000312438687 350770260 /nfs/dbraw/zinc/77/02/60/350770260.db2.gz ITECZXHICPIDNS-VIFPVBQESA-N 1 0 287.266 1.502 20 5 CDBDRO CCC(CC)(C[NH3+])NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000111831118 186461470 /nfs/dbraw/zinc/46/14/70/186461470.db2.gz BTBVAVHVOLEEKY-UHFFFAOYSA-N 1 0 295.339 1.851 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000124764565 351369946 /nfs/dbraw/zinc/36/99/46/351369946.db2.gz NPGUAYFUZAVCQO-SFYZADRCSA-N 1 0 253.258 1.140 20 5 CDBDRO Cc1cc(C(=O)NC2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000123082973 187070638 /nfs/dbraw/zinc/07/06/38/187070638.db2.gz UJYWJFYAQNKVPS-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H](C)CO ZINC000292077372 198155186 /nfs/dbraw/zinc/15/51/86/198155186.db2.gz DHCUQMLYFHBNBA-LLVKDONJSA-N 1 0 268.313 1.676 20 5 CDBDRO CCC[NH2+][C@H](C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000295161393 199379141 /nfs/dbraw/zinc/37/91/41/199379141.db2.gz KNDXVMFLXLYKMZ-LLVKDONJSA-N 1 0 279.340 1.642 20 5 CDBDRO C[C@@H](CCCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000292216161 198205194 /nfs/dbraw/zinc/20/51/94/198205194.db2.gz ZJCDTTRUEDKTIE-QMMMGPOBSA-N 1 0 254.290 1.170 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000156792763 188281300 /nfs/dbraw/zinc/28/13/00/188281300.db2.gz GRUHAUFFSJOAOX-LLVKDONJSA-N 1 0 295.339 1.851 20 5 CDBDRO Cc1cc(NC[C@@H]2C[N@@H+](C)CCN2C)c(F)cc1[N+](=O)[O-] ZINC000292589877 198343266 /nfs/dbraw/zinc/34/32/66/198343266.db2.gz LOLSDFIEWLWSMK-LLVKDONJSA-N 1 0 296.346 1.700 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000293030208 198500524 /nfs/dbraw/zinc/50/05/24/198500524.db2.gz JVNZBHOMXVCEGH-JTQLQIEISA-N 1 0 264.329 1.565 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000558983890 356069327 /nfs/dbraw/zinc/06/93/27/356069327.db2.gz DPMHHGYVRFEGGU-SECBINFHSA-N 1 0 295.368 1.834 20 5 CDBDRO CSc1ccc(C(=O)NC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000272975304 192004872 /nfs/dbraw/zinc/00/48/72/192004872.db2.gz CFKDPGNVAWECFO-SECBINFHSA-N 1 0 295.364 1.656 20 5 CDBDRO C[C@@]1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCCC[NH2+]1 ZINC000272990613 192010574 /nfs/dbraw/zinc/01/05/74/192010574.db2.gz QDIYXOYZNAWTFA-HNNXBMFYSA-N 1 0 291.351 1.786 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000126901588 356143304 /nfs/dbraw/zinc/14/33/04/356143304.db2.gz XPNMYLSOHVCLIZ-GFCCVEGCSA-N 1 0 298.364 1.570 20 5 CDBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@](C)(O)C[NH+](C)C ZINC000286366284 356268975 /nfs/dbraw/zinc/26/89/75/356268975.db2.gz XLICEFGWUFDQPI-AWEZNQCLSA-N 1 0 295.339 1.522 20 5 CDBDRO CC(C)(CCC[NH3+])NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000293745843 198756218 /nfs/dbraw/zinc/75/62/18/198756218.db2.gz VODKEBICJHKXCI-UHFFFAOYSA-N 1 0 295.339 1.607 20 5 CDBDRO CCCC[C@H]([NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000236800900 140246483 /nfs/dbraw/zinc/24/64/83/140246483.db2.gz SKJGKRGBPYUVOY-LBPRGKRZSA-N 1 0 279.340 1.771 20 5 CDBDRO Cc1cnc(C[NH2+]CCc2ccccc2[N+](=O)[O-])n1C ZINC000341047640 366312212 /nfs/dbraw/zinc/31/22/12/366312212.db2.gz RDDSBNSXFZAOLC-UHFFFAOYSA-N 1 0 274.324 1.969 20 5 CDBDRO C[NH+](C)C1(CNc2ncccc2[N+](=O)[O-])CCC1 ZINC000097934217 356956311 /nfs/dbraw/zinc/95/63/11/356956311.db2.gz ARWGPBBQTSWPBV-UHFFFAOYSA-N 1 0 250.302 1.886 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290694551 357289126 /nfs/dbraw/zinc/28/91/26/357289126.db2.gz UZTIJMBNGVTIQA-VIFPVBQESA-N 1 0 295.343 1.231 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261863463 357336285 /nfs/dbraw/zinc/33/62/85/357336285.db2.gz YCEIAXGUYWRCSN-WDEREUQCSA-N 1 0 279.344 1.308 20 5 CDBDRO CCCc1n[nH]c(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)c1[N+](=O)[O-] ZINC000261900848 357339308 /nfs/dbraw/zinc/33/93/08/357339308.db2.gz WPMQAIPRZJOIJU-BDAKNGLRSA-N 1 0 295.343 1.080 20 5 CDBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000282775686 357474335 /nfs/dbraw/zinc/47/43/35/357474335.db2.gz MDUICTXJKFZVJK-JTQLQIEISA-N 1 0 295.339 1.544 20 5 CDBDRO CC[N@H+]1C[C@@H](C)N(Cc2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000331338850 357561145 /nfs/dbraw/zinc/56/11/45/357561145.db2.gz JNMKXOSHURGFOH-PHIMTYICSA-N 1 0 281.360 1.243 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000135212263 357770580 /nfs/dbraw/zinc/77/05/80/357770580.db2.gz MQSPREZUSFLJJA-JTQLQIEISA-N 1 0 295.314 1.806 20 5 CDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000408052929 357795409 /nfs/dbraw/zinc/79/54/09/357795409.db2.gz WKZNRLXJZHZZSS-GWCFXTLKSA-N 1 0 292.339 1.479 20 5 CDBDRO CCCN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000135226476 357798429 /nfs/dbraw/zinc/79/84/29/357798429.db2.gz BSQGBSUSDPWOOL-CQSZACIVSA-N 1 0 291.351 1.738 20 5 CDBDRO Cc1cc(C(=O)N2CC[NH2+][C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000135231465 357799309 /nfs/dbraw/zinc/79/93/09/357799309.db2.gz TYBJAGZTCKGALQ-JTQLQIEISA-N 1 0 263.297 1.337 20 5 CDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408070037 357805105 /nfs/dbraw/zinc/80/51/05/357805105.db2.gz DSQOQLKCFHHPPE-PWSUYJOCSA-N 1 0 292.339 1.622 20 5 CDBDRO C[NH+](C)C[C@H](O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566476202 357821378 /nfs/dbraw/zinc/82/13/78/357821378.db2.gz UMPXVMYAOGAFKA-ZWNOBZJWSA-N 1 0 279.340 1.094 20 5 CDBDRO C[NH+](C)C[C@@H](O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566476195 357821504 /nfs/dbraw/zinc/82/15/04/357821504.db2.gz UMPXVMYAOGAFKA-GWCFXTLKSA-N 1 0 279.340 1.094 20 5 CDBDRO COC[C@@H]([NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000262316856 357868860 /nfs/dbraw/zinc/86/88/60/357868860.db2.gz PVYALGYQLVFYEM-CYBMUJFWSA-N 1 0 293.323 1.060 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000286889910 358022572 /nfs/dbraw/zinc/02/25/72/358022572.db2.gz GEUJXCKRPOYPRA-VIFPVBQESA-N 1 0 251.286 1.275 20 5 CDBDRO COCCOC[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296221377 199822827 /nfs/dbraw/zinc/82/28/27/199822827.db2.gz GUJDDVQNBDLYEQ-BXUZGUMPSA-N 1 0 298.339 1.269 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000165896934 358238438 /nfs/dbraw/zinc/23/84/38/358238438.db2.gz AIHMGOSSSACOIP-SECBINFHSA-N 1 0 271.704 1.715 20 5 CDBDRO CC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193589877 358306216 /nfs/dbraw/zinc/30/62/16/358306216.db2.gz QADZAXZEGKEXCQ-UHFFFAOYSA-N 1 0 294.311 1.641 20 5 CDBDRO CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC([NH3+])C1 ZINC000294858111 199216811 /nfs/dbraw/zinc/21/68/11/199216811.db2.gz OBYFEFNROAQMNO-UHFFFAOYSA-N 1 0 289.295 1.033 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000361657477 358403249 /nfs/dbraw/zinc/40/32/49/358403249.db2.gz JGZVSNJQXWBKQZ-RYUDHWBXSA-N 1 0 289.335 1.951 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000591352809 358562908 /nfs/dbraw/zinc/56/29/08/358562908.db2.gz YSXCPWPJWSIUSJ-NSHDSACASA-N 1 0 294.355 1.564 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C[NH+](C)C ZINC000287462566 358657548 /nfs/dbraw/zinc/65/75/48/358657548.db2.gz HCTGPNDKCUWTPV-JTQLQIEISA-N 1 0 280.328 1.975 20 5 CDBDRO C[C@@H]1[C@H](C)SCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176248881 358750609 /nfs/dbraw/zinc/75/06/09/358750609.db2.gz HRJCDHVWERQQGB-ZJUUUORDSA-N 1 0 270.358 1.617 20 5 CDBDRO Cc1cc(C(=O)N[C@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000264900746 358758739 /nfs/dbraw/zinc/75/87/39/358758739.db2.gz LMAONTXQZRGCQH-LLVKDONJSA-N 1 0 279.340 1.973 20 5 CDBDRO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(C)C ZINC000176206219 358737421 /nfs/dbraw/zinc/73/74/21/358737421.db2.gz SAOOELFHUXJDCD-UHFFFAOYSA-N 1 0 270.333 1.396 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000186789246 358823694 /nfs/dbraw/zinc/82/36/94/358823694.db2.gz WSAVPGAZPGZNJW-CBAPKCEASA-N 1 0 269.326 1.384 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c1 ZINC000451700564 359071838 /nfs/dbraw/zinc/07/18/38/359071838.db2.gz XVODCFOIYZWUMU-DYEKYZERSA-N 1 0 294.355 1.274 20 5 CDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000342467667 359063921 /nfs/dbraw/zinc/06/39/21/359063921.db2.gz RLJYCAQVQNHQHD-WCBMZHEXSA-N 1 0 295.364 1.869 20 5 CDBDRO CCC(CC)(CCO)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000338380124 359126307 /nfs/dbraw/zinc/12/63/07/359126307.db2.gz RCYSBYCZRWDCDQ-UHFFFAOYSA-N 1 0 270.333 1.359 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000339131433 359296789 /nfs/dbraw/zinc/29/67/89/359296789.db2.gz IHIXUCDHPRFILL-GFCCVEGCSA-N 1 0 280.328 1.607 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCO)C2CCC2)cc1 ZINC000221173623 359487117 /nfs/dbraw/zinc/48/71/17/359487117.db2.gz NAJSYTUQUMFLQJ-UHFFFAOYSA-N 1 0 250.298 1.942 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000382381958 359548763 /nfs/dbraw/zinc/54/87/63/359548763.db2.gz RMUDQFDJMIOZRC-SNVBAGLBSA-N 1 0 265.313 1.381 20 5 CDBDRO Cc1nc(N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000297359063 200161754 /nfs/dbraw/zinc/16/17/54/200161754.db2.gz BWFBKXVUNCMXPN-ONGXEEELSA-N 1 0 279.344 1.470 20 5 CDBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C)C1 ZINC000356802137 366561616 /nfs/dbraw/zinc/56/16/16/366561616.db2.gz NBXPNBBXQKQBNJ-LBPRGKRZSA-N 1 0 295.314 1.900 20 5 CDBDRO COc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000159462146 359944537 /nfs/dbraw/zinc/94/45/37/359944537.db2.gz CWPIQSCKCZWOPY-GWCFXTLKSA-N 1 0 280.324 1.806 20 5 CDBDRO C[C@@H](CC(N)=O)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135716391 359951015 /nfs/dbraw/zinc/95/10/15/359951015.db2.gz GVIOLWCUIJYEQK-IUCAKERBSA-N 1 0 251.286 1.509 20 5 CDBDRO CC(C)[N@H+](C)CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000172360913 360101170 /nfs/dbraw/zinc/10/11/70/360101170.db2.gz VBJHKSXKTYHEDN-UHFFFAOYSA-N 1 0 277.324 1.824 20 5 CDBDRO CC[NH2+]CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000054263058 360065432 /nfs/dbraw/zinc/06/54/32/360065432.db2.gz MWSPQCSXIXIECR-UHFFFAOYSA-N 1 0 255.249 1.073 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000054264024 360065892 /nfs/dbraw/zinc/06/58/92/360065892.db2.gz BCRYVUOBUTYGSZ-UHFFFAOYSA-N 1 0 265.313 1.633 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@]2(O)CCSC2)cs1 ZINC000176752842 189007760 /nfs/dbraw/zinc/00/77/60/189007760.db2.gz BINNDFLTEXYGQO-SNVBAGLBSA-N 1 0 274.367 1.614 20 5 CDBDRO CC(C)(CNC(=O)c1c[nH]nc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000575070669 360778552 /nfs/dbraw/zinc/77/85/52/360778552.db2.gz GTDNGJIOLRDZKB-UHFFFAOYSA-N 1 0 295.343 1.312 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000178998540 189160819 /nfs/dbraw/zinc/16/08/19/189160819.db2.gz HWRMVHRTEXBKGA-SECBINFHSA-N 1 0 283.353 1.646 20 5 CDBDRO COC[C@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000234840610 360962827 /nfs/dbraw/zinc/96/28/27/360962827.db2.gz PYFNKJLTQWOYHY-KOLCDFICSA-N 1 0 254.286 1.253 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000053202040 361203664 /nfs/dbraw/zinc/20/36/64/361203664.db2.gz VVQDXYKONHKNGF-VIFPVBQESA-N 1 0 281.287 1.558 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000519529537 361377492 /nfs/dbraw/zinc/37/74/92/361377492.db2.gz FIUVFPKTJQRLBQ-PWSUYJOCSA-N 1 0 292.339 1.474 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000168695833 361381423 /nfs/dbraw/zinc/38/14/23/361381423.db2.gz QCBOIIQZPQZROQ-CMPLNLGQSA-N 1 0 277.324 1.713 20 5 CDBDRO CC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000236967928 361416316 /nfs/dbraw/zinc/41/63/16/361416316.db2.gz YYYPVCMRTHHPIZ-UHFFFAOYSA-N 1 0 257.315 1.304 20 5 CDBDRO C[NH2+]CCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000036280253 361419356 /nfs/dbraw/zinc/41/93/56/361419356.db2.gz SVMSSEXLJIOUQX-UHFFFAOYSA-N 1 0 251.286 1.243 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000261588435 291281224 /nfs/dbraw/zinc/28/12/24/291281224.db2.gz KDXYLQSXSKOHIC-XVKPBYJWSA-N 1 0 283.715 1.810 20 5 CDBDRO Cc1cc(C(=O)NCC(C)(C)[NH3+])cc([N+](=O)[O-])c1 ZINC000135241513 361707068 /nfs/dbraw/zinc/70/70/68/361707068.db2.gz SWCSDUWSLVLHAC-UHFFFAOYSA-N 1 0 251.286 1.370 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](O)C[C@H]1C ZINC000340918794 364187420 /nfs/dbraw/zinc/18/74/20/364187420.db2.gz CDPHPFOBSLHOIU-ZYHUDNBSSA-N 1 0 293.323 1.297 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1C(N)=O ZINC000175065107 364312060 /nfs/dbraw/zinc/31/20/60/364312060.db2.gz LIRIILHYTVKSRB-GFCCVEGCSA-N 1 0 293.323 1.443 20 5 CDBDRO C[C@]1(C(N)=O)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000280413550 364853610 /nfs/dbraw/zinc/85/36/10/364853610.db2.gz YQKLTWTWVVVRDI-ZDUSSCGKSA-N 1 0 263.297 1.292 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000573073818 364918057 /nfs/dbraw/zinc/91/80/57/364918057.db2.gz FWQKLOXUDUBPLC-VIFPVBQESA-N 1 0 266.301 1.131 20 5 CDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[NH+](C)C ZINC000168611605 364995329 /nfs/dbraw/zinc/99/53/29/364995329.db2.gz VBJVSDOUWZHHRV-MRVPVSSYSA-N 1 0 285.731 1.928 20 5 CDBDRO C[C@@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000270452957 366883924 /nfs/dbraw/zinc/88/39/24/366883924.db2.gz CVWINMZRFJIMLK-SNVBAGLBSA-N 1 0 278.230 1.998 20 5 CDBDRO C[C@@H](NC(=O)N[C@@H](C)CC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417146150 296084621 /nfs/dbraw/zinc/08/46/21/296084621.db2.gz XSVNTAVTPMYZAU-VHSXEESVSA-N 1 0 280.328 1.692 20 5 CDBDRO C[NH+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000122188308 366928944 /nfs/dbraw/zinc/92/89/44/366928944.db2.gz OGSSDKPHFHCVEG-UHFFFAOYSA-N 1 0 292.339 1.171 20 5 CDBDRO CS[C@@H]1CN(c2nccc(C)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000271117099 366969629 /nfs/dbraw/zinc/96/96/29/366969629.db2.gz RBAOQKSDXQFGSO-WDEREUQCSA-N 1 0 296.396 1.780 20 5 CDBDRO Cc1ccc(NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000414653946 241304024 /nfs/dbraw/zinc/30/40/24/241304024.db2.gz FMALCXPKTOSZID-IAZYJMLFSA-N 1 0 276.296 1.243 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000161112393 367123261 /nfs/dbraw/zinc/12/32/61/367123261.db2.gz QQIOBUJHWGJKHA-NXEZZACHSA-N 1 0 281.287 1.734 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CC[C@H]2C2CC2)c1 ZINC000348382428 367241200 /nfs/dbraw/zinc/24/12/00/367241200.db2.gz NZJFGAIUTPNSHR-NWDGAFQWSA-N 1 0 250.302 1.570 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCC[C@H]2OC(F)F)c1 ZINC000348522614 367455620 /nfs/dbraw/zinc/45/56/20/367455620.db2.gz YMNOBZPLBBBEGD-NXEZZACHSA-N 1 0 290.270 1.541 20 5 CDBDRO Cc1nc(N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000272258582 367571085 /nfs/dbraw/zinc/57/10/85/367571085.db2.gz ZPZYGOKGKHWGQD-WCQYABFASA-N 1 0 276.340 1.829 20 5 CDBDRO COCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCC[C@@H]1C ZINC000487981081 367645756 /nfs/dbraw/zinc/64/57/56/367645756.db2.gz NGGHZFOVWGEWJT-RYUDHWBXSA-N 1 0 296.371 1.965 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCOCCO)CCCC2 ZINC000417323721 242423991 /nfs/dbraw/zinc/42/39/91/242423991.db2.gz OXQMVEYXYDKOSV-HNNXBMFYSA-N 1 0 294.351 1.961 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000054613250 367729340 /nfs/dbraw/zinc/72/93/40/367729340.db2.gz DWARFIZHANVIFV-NSHDSACASA-N 1 0 250.302 1.886 20 5 CDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000272740372 367814061 /nfs/dbraw/zinc/81/40/61/367814061.db2.gz MTLWEEAWDIHLBP-LLVKDONJSA-N 1 0 289.335 1.975 20 5 CDBDRO Nc1nc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000301190521 368338117 /nfs/dbraw/zinc/33/81/17/368338117.db2.gz MARSGUPXATYZMG-SECBINFHSA-N 1 0 292.343 1.396 20 5 CDBDRO Cc1cc(N(C)C[C@H]2CCC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC000420643898 244306943 /nfs/dbraw/zinc/30/69/43/244306943.db2.gz XSTBAFMQDIRHNK-LLVKDONJSA-N 1 0 264.329 1.829 20 5 CDBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1CO ZINC000276110293 193216070 /nfs/dbraw/zinc/21/60/70/193216070.db2.gz XJSSOBNGBNIOCD-NOZJJQNGSA-N 1 0 268.288 1.937 20 5 CDBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1CO ZINC000276111660 193217005 /nfs/dbraw/zinc/21/70/05/193217005.db2.gz XJSSOBNGBNIOCD-ZANVPECISA-N 1 0 268.288 1.937 20 5 CDBDRO Cc1c(C(=O)NCCCC[NH3+])cccc1[N+](=O)[O-] ZINC000037714533 369983738 /nfs/dbraw/zinc/98/37/38/369983738.db2.gz XZVAJPKAOQWKNW-UHFFFAOYSA-N 1 0 251.286 1.372 20 5 CDBDRO C[C@@H](NC(=O)CCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000037766526 370079242 /nfs/dbraw/zinc/07/92/42/370079242.db2.gz DCEQVTANGNHRAE-SECBINFHSA-N 1 0 251.286 1.511 20 5 CDBDRO Cc1nn(CC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000295396657 370164717 /nfs/dbraw/zinc/16/47/17/370164717.db2.gz RLWNJIMIZPTCLG-NSHDSACASA-N 1 0 252.318 1.974 20 5 CDBDRO CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)[C@H](C)C1 ZINC000295665284 370558750 /nfs/dbraw/zinc/55/87/50/370558750.db2.gz ITBPJGOSCFVBIW-SECBINFHSA-N 1 0 265.317 1.224 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000422730661 245188165 /nfs/dbraw/zinc/18/81/65/245188165.db2.gz MNOWKFISJQTRTQ-JTQLQIEISA-N 1 0 293.323 1.475 20 5 CDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000367890551 371116470 /nfs/dbraw/zinc/11/64/70/371116470.db2.gz GYDUYLAWZXYSST-OLZOCXBDSA-N 1 0 293.371 1.350 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000422803444 245274900 /nfs/dbraw/zinc/27/49/00/245274900.db2.gz FZASBSHMOKSJDI-GFCCVEGCSA-N 1 0 291.351 1.941 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000422838023 245319694 /nfs/dbraw/zinc/31/96/94/245319694.db2.gz NOVZURZBOTWICU-NSHDSACASA-N 1 0 291.351 1.954 20 5 CDBDRO CC[N@H+](CCOC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269621845 373165012 /nfs/dbraw/zinc/16/50/12/373165012.db2.gz BARRVTJTLINOMQ-CYBMUJFWSA-N 1 0 268.313 1.597 20 5 CDBDRO CC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000121820696 373234433 /nfs/dbraw/zinc/23/44/33/373234433.db2.gz HTKZAOVNRTXSSC-ONGXEEELSA-N 1 0 265.313 1.818 20 5 CDBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000191648280 373505707 /nfs/dbraw/zinc/50/57/07/373505707.db2.gz CHDGSJHBKKZTIK-CQSZACIVSA-N 1 0 296.371 1.664 20 5 CDBDRO Cc1sc(C(=O)N2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237695963 373842252 /nfs/dbraw/zinc/84/22/52/373842252.db2.gz OBHJWOFLOWOTIE-SECBINFHSA-N 1 0 283.353 1.918 20 5 CDBDRO CO[C@@H](C[NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423724779 246004495 /nfs/dbraw/zinc/00/44/95/246004495.db2.gz NMGZLIGCMAUSHY-ZDUSSCGKSA-N 1 0 293.323 1.060 20 5 CDBDRO [NH3+][C@@H]1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000420244076 374294035 /nfs/dbraw/zinc/29/40/35/374294035.db2.gz XKXVQPKQKZQLJB-SECBINFHSA-N 1 0 262.313 1.490 20 5 CDBDRO Cc1c(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cccc1[N+](=O)[O-] ZINC000368646850 374321610 /nfs/dbraw/zinc/32/16/10/374321610.db2.gz LCBKDTPKGHKORU-UWVGGRQHSA-N 1 0 281.287 1.333 20 5 CDBDRO NC(=O)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000066388375 374322044 /nfs/dbraw/zinc/32/20/44/374322044.db2.gz AKOUNZRJNBTDBQ-HNNXBMFYSA-N 1 0 299.330 1.954 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000421748368 374329810 /nfs/dbraw/zinc/32/98/10/374329810.db2.gz LRNLBJQLJAAPHM-LBPRGKRZSA-N 1 0 291.351 1.893 20 5 CDBDRO C[C@@H]1C[C@@H](C)N(Cc2c([N+](=O)[O-])ncn2C)C[C@H]1C[NH3+] ZINC000422636993 374354719 /nfs/dbraw/zinc/35/47/19/374354719.db2.gz NYZDSKQOGDVQID-GMTAPVOTSA-N 1 0 281.360 1.134 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000423488969 374385814 /nfs/dbraw/zinc/38/58/14/374385814.db2.gz ZRRMJMLEINNDPW-GFCCVEGCSA-N 1 0 277.324 1.679 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCC[NH3+] ZINC000423510078 374386637 /nfs/dbraw/zinc/38/66/37/374386637.db2.gz RZHAKPPWQOGFQS-UHFFFAOYSA-N 1 0 265.313 1.680 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000424027581 246297130 /nfs/dbraw/zinc/29/71/30/246297130.db2.gz BVMOTXSBUORGBD-UHFFFAOYSA-N 1 0 281.312 1.042 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+](C2CCC2)C2CCC2)c1 ZINC000429111137 374566741 /nfs/dbraw/zinc/56/67/41/374566741.db2.gz CEVPRNPGSSTALS-AWEZNQCLSA-N 1 0 294.355 1.559 20 5 CDBDRO Cc1ccc(CN2CCN3C(=O)OC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000378346449 374639064 /nfs/dbraw/zinc/63/90/64/374639064.db2.gz RECGACGGEPKMPI-LBPRGKRZSA-N 1 0 291.307 1.540 20 5 CDBDRO Cc1ccnc(NCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000070496312 374664171 /nfs/dbraw/zinc/66/41/71/374664171.db2.gz VWNDVYVHPVSLLO-UHFFFAOYSA-N 1 0 250.302 1.806 20 5 CDBDRO CCOc1cc(C[N@H+](CCO)C2CC2)ccc1[N+](=O)[O-] ZINC000276865868 374754075 /nfs/dbraw/zinc/75/40/75/374754075.db2.gz GZIIRQHHAZURFX-UHFFFAOYSA-N 1 0 280.324 1.950 20 5 CDBDRO CCN1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1=O ZINC000449518942 374816120 /nfs/dbraw/zinc/81/61/20/374816120.db2.gz OZOUPXYVFOQHAD-IYNGYCSASA-N 1 0 289.335 1.818 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000124580478 374825572 /nfs/dbraw/zinc/82/55/72/374825572.db2.gz HHOLETKINXWIBU-UHFFFAOYSA-N 1 0 285.731 1.930 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000389846047 374764889 /nfs/dbraw/zinc/76/48/89/374764889.db2.gz QIKJCIBWEWMENI-WLFDKREMSA-N 1 0 289.335 1.722 20 5 CDBDRO CC(C)N(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000330554856 374864708 /nfs/dbraw/zinc/86/47/08/374864708.db2.gz VHHWMXMTYDCRJR-UHFFFAOYSA-N 1 0 282.344 1.346 20 5 CDBDRO Cc1n[nH]c(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000331080117 374886063 /nfs/dbraw/zinc/88/60/63/374886063.db2.gz LGZTXDXMQMODBL-SECBINFHSA-N 1 0 297.359 1.332 20 5 CDBDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000280355619 374994178 /nfs/dbraw/zinc/99/41/78/374994178.db2.gz UBAPEQXQLAHPHS-CYBMUJFWSA-N 1 0 263.297 1.292 20 5 CDBDRO C[C@@H](O)C[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000131139303 375173941 /nfs/dbraw/zinc/17/39/41/375173941.db2.gz MWOZRFXOAHAOSK-LLVKDONJSA-N 1 0 268.313 1.676 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000131818477 375353429 /nfs/dbraw/zinc/35/34/29/375353429.db2.gz AMTCWRPAGRLMOL-RKDXNWHRSA-N 1 0 281.287 1.543 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000131932796 375382835 /nfs/dbraw/zinc/38/28/35/375382835.db2.gz CUGVLIDOGYILAW-HTQZYQBOSA-N 1 0 269.326 1.466 20 5 CDBDRO CN(C(=O)C[N@H+](C)CC(C)(C)O)c1ccc([N+](=O)[O-])cc1 ZINC000304120012 375406879 /nfs/dbraw/zinc/40/68/79/375406879.db2.gz KJUNUUDAZKXRAQ-UHFFFAOYSA-N 1 0 295.339 1.260 20 5 CDBDRO CC[C@H]([NH3+])c1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000603223782 375545004 /nfs/dbraw/zinc/54/50/04/375545004.db2.gz ITIGQRMEIXUIOA-JTQLQIEISA-N 1 0 279.275 1.784 20 5 CDBDRO Cc1ccc(C[NH2+][C@H]2CCS(=O)(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000293973890 375545111 /nfs/dbraw/zinc/54/51/11/375545111.db2.gz QWLPNEBYOVSEHC-JQWIXIFHSA-N 1 0 298.364 1.568 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](COC(F)F)C2)n1 ZINC000353024826 375566354 /nfs/dbraw/zinc/56/63/54/375566354.db2.gz QFNGOMHMLKTKOX-SECBINFHSA-N 1 0 290.270 1.352 20 5 CDBDRO CNC(=O)CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344896639 375647999 /nfs/dbraw/zinc/64/79/99/375647999.db2.gz ZDWFNCPCAFUTKK-DHZHZOJOSA-N 1 0 277.324 1.724 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](CCO)C1CCCCC1 ZINC000355011349 375768491 /nfs/dbraw/zinc/76/84/91/375768491.db2.gz KMYULIBNYCPIPX-GFCCVEGCSA-N 1 0 296.371 1.749 20 5 CDBDRO COc1ccc(CNC[C@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000228725898 375800022 /nfs/dbraw/zinc/80/00/22/375800022.db2.gz MZLQGTUACAESIJ-AWEZNQCLSA-N 1 0 297.355 1.006 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC1(O)CCCC1 ZINC000269850681 375806217 /nfs/dbraw/zinc/80/62/17/375806217.db2.gz XTPCURMFEZFSNO-UHFFFAOYSA-N 1 0 268.317 1.028 20 5 CDBDRO C[NH+](C)CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000356280272 375831132 /nfs/dbraw/zinc/83/11/32/375831132.db2.gz MLRNIKLJNXIMIN-UHFFFAOYSA-N 1 0 295.314 1.900 20 5 CDBDRO CC(C)[NH+](CCNC(=O)c1cc([N+](=O)[O-])cn1C)C(C)C ZINC000032244654 375921796 /nfs/dbraw/zinc/92/17/96/375921796.db2.gz VFCNMQNBDZJRLQ-UHFFFAOYSA-N 1 0 296.371 1.782 20 5 CDBDRO CNC(=O)c1ccc(NC[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000140015013 376255471 /nfs/dbraw/zinc/25/54/71/376255471.db2.gz VPPQMCZTEDPHOR-LLVKDONJSA-N 1 0 292.339 1.461 20 5 CDBDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000188493176 376273305 /nfs/dbraw/zinc/27/33/05/376273305.db2.gz XTCAVRODWKQBHZ-LLVKDONJSA-N 1 0 279.340 1.860 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000307916893 376317454 /nfs/dbraw/zinc/31/74/54/376317454.db2.gz YUCDMRMSSQOXPO-MEJMFZKBSA-N 1 0 289.335 1.865 20 5 CDBDRO Cc1nc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)ncc1[N+](=O)[O-] ZINC000296667988 376688864 /nfs/dbraw/zinc/68/88/64/376688864.db2.gz ZAWOXUSHDWDIAZ-WDEREUQCSA-N 1 0 277.328 1.732 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCCC(=O)N1 ZINC000433195263 248007412 /nfs/dbraw/zinc/00/74/12/248007412.db2.gz SNMQXKAADXENFO-LBPRGKRZSA-N 1 0 277.324 1.662 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000189311940 377229352 /nfs/dbraw/zinc/22/93/52/377229352.db2.gz NQXSBQABTLUBST-XKVOAVTDSA-N 1 0 289.335 1.865 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000262317933 377528537 /nfs/dbraw/zinc/52/85/37/377528537.db2.gz BWUWNBYJSXYYHC-SNVBAGLBSA-N 1 0 265.313 1.252 20 5 CDBDRO COC[C@@](C)([NH3+])CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000266843359 377565256 /nfs/dbraw/zinc/56/52/56/377565256.db2.gz NQWXMSVEONCXQF-NSHDSACASA-N 1 0 254.290 1.074 20 5 CDBDRO CCOC[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173439363 378399772 /nfs/dbraw/zinc/39/97/72/378399772.db2.gz BVXIWJNCPLVTRT-ZWNOBZJWSA-N 1 0 268.313 1.643 20 5 CDBDRO COC[C@@H](O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278677843 194099836 /nfs/dbraw/zinc/09/98/36/194099836.db2.gz JOXVQTYBTLRREN-JSGCOSHPSA-N 1 0 280.324 1.569 20 5 CDBDRO CCOCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447539486 250383303 /nfs/dbraw/zinc/38/33/03/250383303.db2.gz GVLILEPJTJJAGF-VXGBXAGGSA-N 1 0 282.344 1.901 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1OC[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC001580874956 1172557346 /nfs/dbraw/zinc/55/73/46/1172557346.db2.gz QQEATZYFUKNONL-RISCZKNCSA-N 1 0 296.298 1.881 20 5 CDBDRO O=[N+]([O-])c1cc2c(nc1SC1C[NH2+]C1)CCCC2 ZINC001580874821 1172557358 /nfs/dbraw/zinc/55/73/58/1172557358.db2.gz KNNISQKCCAYCAL-UHFFFAOYSA-N 1 0 265.338 1.933 20 5 CDBDRO O=[N+]([O-])c1ccc(CCN[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC001580875046 1172557523 /nfs/dbraw/zinc/55/75/23/1172557523.db2.gz VUJFGSKQVBXWBM-LBPRGKRZSA-N 1 0 285.294 1.724 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)CN(C)C ZINC000453098626 252269299 /nfs/dbraw/zinc/26/92/99/252269299.db2.gz JQSQEHCICIHLGB-DGCLKSJQSA-N 1 0 281.356 1.038 20 5 CDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491875255 253110093 /nfs/dbraw/zinc/11/00/93/253110093.db2.gz XUKLIRBSWAZVBI-YXVBKTCISA-N 1 0 289.335 1.818 20 5 CDBDRO COCCN(CC[NH+](C)C)Cc1ccccc1[N+](=O)[O-] ZINC000289398927 197328793 /nfs/dbraw/zinc/32/87/93/197328793.db2.gz GDDZZRSKIXYWRC-UHFFFAOYSA-N 1 0 281.356 1.605 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000320598591 390474144 /nfs/dbraw/zinc/47/41/44/390474144.db2.gz WWQLMFIDDNFJQR-IUCAKERBSA-N 1 0 251.286 1.450 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000320645688 390479539 /nfs/dbraw/zinc/47/95/39/390479539.db2.gz FPZGXQBQGVDJCQ-JGVFFNPUSA-N 1 0 269.276 1.590 20 5 CDBDRO [NH3+]C[C@H]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000261696901 390482354 /nfs/dbraw/zinc/48/23/54/390482354.db2.gz IDMHUPDDXVYROS-MRVPVSSYSA-N 1 0 293.352 1.775 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000381250549 390588863 /nfs/dbraw/zinc/58/88/63/390588863.db2.gz BSYRMUFTYPGYEZ-TYBABMIJSA-N 1 0 277.324 1.852 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451379111 390615420 /nfs/dbraw/zinc/61/54/20/390615420.db2.gz YYLRZJFUUHCSCI-ZAZJYDDPSA-N 1 0 288.351 1.972 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000283534559 195874693 /nfs/dbraw/zinc/87/46/93/195874693.db2.gz XLJFYUNZKZCEOD-SSDOTTSWSA-N 1 0 296.283 1.149 20 5 CDBDRO C[C@@H](NC(=O)NCC[NH+]1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000337394303 390812879 /nfs/dbraw/zinc/81/28/79/390812879.db2.gz IJOVXUQIQQYJKJ-LLVKDONJSA-N 1 0 292.339 1.661 20 5 CDBDRO CCC[N@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411164138 390966124 /nfs/dbraw/zinc/96/61/24/390966124.db2.gz GWCNILSAXPWPJF-UHFFFAOYSA-N 1 0 295.339 1.628 20 5 CDBDRO CNc1ccc(C(=O)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000517028085 390967894 /nfs/dbraw/zinc/96/78/94/390967894.db2.gz INUPVRBEZGBYJY-SNVBAGLBSA-N 1 0 278.312 1.118 20 5 CDBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000340914404 390972493 /nfs/dbraw/zinc/97/24/93/390972493.db2.gz RPKXOCWCKYEYSC-ZWNOBZJWSA-N 1 0 250.298 1.592 20 5 CDBDRO CCO[C@@H]1CCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000452011992 390977828 /nfs/dbraw/zinc/97/78/28/390977828.db2.gz HKSNMAJXNIKGSQ-GHMZBOCLSA-N 1 0 268.317 1.339 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000452112960 391043852 /nfs/dbraw/zinc/04/38/52/391043852.db2.gz HPFZEDRRASCPLO-LLVKDONJSA-N 1 0 281.360 1.243 20 5 CDBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000314034991 391081137 /nfs/dbraw/zinc/08/11/37/391081137.db2.gz VABRLIHAHACUGQ-WFASDCNBSA-N 1 0 289.335 1.796 20 5 CDBDRO CC(C)(C)[NH2+]CCNc1ncc([N+](=O)[O-])cc1F ZINC000413120066 391159858 /nfs/dbraw/zinc/15/98/58/391159858.db2.gz PRWQZDGIJMRYCT-UHFFFAOYSA-N 1 0 256.281 1.929 20 5 CDBDRO CNc1ccc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000519765397 391219583 /nfs/dbraw/zinc/21/95/83/391219583.db2.gz VTOKIEWVZAMMPP-ZDUSSCGKSA-N 1 0 292.339 1.446 20 5 CDBDRO CC[C@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000105791302 391335401 /nfs/dbraw/zinc/33/54/01/391335401.db2.gz GGEXKBYKENLODF-LBPRGKRZSA-N 1 0 294.355 1.537 20 5 CDBDRO Cc1cc(NC(=O)N2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000415420165 391407328 /nfs/dbraw/zinc/40/73/28/391407328.db2.gz SKOVGAYKQBANQQ-SNVBAGLBSA-N 1 0 278.312 1.858 20 5 CDBDRO COc1ccc(NC(=O)N[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000415442576 391440109 /nfs/dbraw/zinc/44/01/09/391440109.db2.gz QFCIZWDJTHFKDA-JTQLQIEISA-N 1 0 294.311 1.462 20 5 CDBDRO C[C@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000415631381 391470059 /nfs/dbraw/zinc/47/00/59/391470059.db2.gz MPLPMEHLPZMEDC-IUCAKERBSA-N 1 0 296.302 1.948 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)C[NH3+] ZINC000415763632 391471351 /nfs/dbraw/zinc/47/13/51/391471351.db2.gz ONHRPUBBRGEBRA-VIFPVBQESA-N 1 0 280.328 1.874 20 5 CDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000129631029 391601067 /nfs/dbraw/zinc/60/10/67/391601067.db2.gz VZHAZAIIMJFTCP-QWHCGFSZSA-N 1 0 280.324 1.723 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCCNC1=O ZINC000449073904 391677903 /nfs/dbraw/zinc/67/79/03/391677903.db2.gz JOJCDANUILZEQH-WCQYABFASA-N 1 0 291.351 1.784 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000189311796 129952683 /nfs/dbraw/zinc/95/26/83/129952683.db2.gz OWDXCDGOOHMMHW-APPZFPTMSA-N 1 0 269.326 1.527 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000519629739 391747221 /nfs/dbraw/zinc/74/72/21/391747221.db2.gz KLDINHGBXWBOBP-SECBINFHSA-N 1 0 268.292 1.883 20 5 CDBDRO C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000190360283 130095005 /nfs/dbraw/zinc/09/50/05/130095005.db2.gz ZFTZLXHMFAOFCA-BXUZGUMPSA-N 1 0 280.324 1.676 20 5 CDBDRO C[C@H](O)C[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000264322023 391826859 /nfs/dbraw/zinc/82/68/59/391826859.db2.gz KNEGWFOQTQBQFS-NEPJUHHUSA-N 1 0 279.340 1.486 20 5 CDBDRO COCC[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000054353721 391830170 /nfs/dbraw/zinc/83/01/70/391830170.db2.gz SQNICFVUHZTRLO-UHFFFAOYSA-N 1 0 295.339 1.810 20 5 CDBDRO CO[C@]1(C)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000348223328 391830628 /nfs/dbraw/zinc/83/06/28/391830628.db2.gz GDQAGLHPYMQQQF-GFCCVEGCSA-N 1 0 268.317 1.292 20 5 CDBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000439660326 391840173 /nfs/dbraw/zinc/84/01/73/391840173.db2.gz YDVDOPUBLUWNQI-QWRGUYRKSA-N 1 0 250.302 1.884 20 5 CDBDRO Cc1ccc(NC[C@](C)(O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000228669079 130873372 /nfs/dbraw/zinc/87/33/72/130873372.db2.gz INACHCREQUGAOF-ZDUSSCGKSA-N 1 0 267.329 1.628 20 5 CDBDRO C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000237591941 131044103 /nfs/dbraw/zinc/04/41/03/131044103.db2.gz MZOLPSZTVVOCGH-NSHDSACASA-N 1 0 277.324 1.348 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000237646874 131050558 /nfs/dbraw/zinc/05/05/58/131050558.db2.gz JRMLDRVGZXTCAM-QMMMGPOBSA-N 1 0 283.715 1.682 20 5 CDBDRO Cc1sc(C(=O)N2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000237696132 131052926 /nfs/dbraw/zinc/05/29/26/131052926.db2.gz WEVRVQMKZGTGFW-UHFFFAOYSA-N 1 0 269.326 1.400 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC([NH3+])CC1 ZINC000036753685 291996855 /nfs/dbraw/zinc/99/68/55/291996855.db2.gz ADELZAISGRYLGF-UHFFFAOYSA-N 1 0 299.352 1.015 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000261723342 131164234 /nfs/dbraw/zinc/16/42/34/131164234.db2.gz QJLHZMKLKHQIGK-UEKVPHQBSA-N 1 0 291.351 1.640 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261756997 131167053 /nfs/dbraw/zinc/16/70/53/131167053.db2.gz UOCORELXBLAEEB-RISCZKNCSA-N 1 0 289.335 1.727 20 5 CDBDRO CSc1ccc(C(=O)N[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000262452425 131222139 /nfs/dbraw/zinc/22/21/39/131222139.db2.gz FYXRECWTCYSRQV-ZETCQYMHSA-N 1 0 269.326 1.394 20 5 CDBDRO Cc1sc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000262721524 131255761 /nfs/dbraw/zinc/25/57/61/131255761.db2.gz FVBDCNFIMMVOIO-CBAPKCEASA-N 1 0 283.353 1.693 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000251842512 392491223 /nfs/dbraw/zinc/49/12/23/392491223.db2.gz QPBXYPNXBYFSNM-QRWLWRBWSA-N 1 0 289.335 1.804 20 5 CDBDRO Cc1nc(N[C@H]2CCC[C@@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000420201404 392904056 /nfs/dbraw/zinc/90/40/56/392904056.db2.gz ONUGYHJYJYQGTM-BDAKNGLRSA-N 1 0 251.290 1.233 20 5 CDBDRO C[C@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000418228660 392879201 /nfs/dbraw/zinc/87/92/01/392879201.db2.gz FHGQLPLGRSQZQZ-HWNAMQAFSA-N 1 0 290.323 1.173 20 5 CDBDRO C[NH2+]CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418334018 392880616 /nfs/dbraw/zinc/88/06/16/392880616.db2.gz SPVRVLNDQWTHLW-UHFFFAOYSA-N 1 0 292.339 1.488 20 5 CDBDRO CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[N@@H+]1C ZINC000421001662 392926110 /nfs/dbraw/zinc/92/61/10/392926110.db2.gz LKVAGRRYGGHKIU-CQSZACIVSA-N 1 0 293.367 2.000 20 5 CDBDRO Cc1nc(N(C)[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000268520115 132020617 /nfs/dbraw/zinc/02/06/17/132020617.db2.gz UVFILGNFKFEIRJ-NSHDSACASA-N 1 0 264.329 1.829 20 5 CDBDRO C[C@H]([NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000268860646 132078416 /nfs/dbraw/zinc/07/84/16/132078416.db2.gz DMXLBKUQLFCKOX-CUOATXAZSA-N 1 0 280.324 1.377 20 5 CDBDRO C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000269241714 132140515 /nfs/dbraw/zinc/14/05/15/132140515.db2.gz YNBQDFXUVSBSSB-GWCFXTLKSA-N 1 0 293.323 1.169 20 5 CDBDRO COCC[NH2+]CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423311268 392960418 /nfs/dbraw/zinc/96/04/18/392960418.db2.gz BPUJVLUWZDPXQI-LLVKDONJSA-N 1 0 267.329 1.481 20 5 CDBDRO COCCNCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423331670 392961684 /nfs/dbraw/zinc/96/16/84/392961684.db2.gz MTTUFMUFABNKAU-GFCCVEGCSA-N 1 0 281.356 1.351 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000194916565 393012583 /nfs/dbraw/zinc/01/25/83/393012583.db2.gz UPSFKJMVZHEVOG-SSDOTTSWSA-N 1 0 271.704 1.254 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000429979516 393089291 /nfs/dbraw/zinc/08/92/91/393089291.db2.gz ZISKFHWNCHXCJI-GFCCVEGCSA-N 1 0 295.339 1.593 20 5 CDBDRO C[NH2+][C@@H]1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430621809 393102343 /nfs/dbraw/zinc/10/23/43/393102343.db2.gz KHDDKZAEKKZZHP-GHMZBOCLSA-N 1 0 292.339 1.216 20 5 CDBDRO C[NH2+][C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430619279 393103341 /nfs/dbraw/zinc/10/33/41/393103341.db2.gz AXHAEGBKBLGUOH-NSHDSACASA-N 1 0 265.313 1.267 20 5 CDBDRO COC[C@@H](CCO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532516507 393074334 /nfs/dbraw/zinc/07/43/34/393074334.db2.gz BYSYFAGXFZHZDP-VXGBXAGGSA-N 1 0 282.340 1.951 20 5 CDBDRO COC[C@H](CCO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532516506 393074769 /nfs/dbraw/zinc/07/47/69/393074769.db2.gz BYSYFAGXFZHZDP-RYUDHWBXSA-N 1 0 282.340 1.951 20 5 CDBDRO Cc1ccc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000449654694 393137240 /nfs/dbraw/zinc/13/72/40/393137240.db2.gz FINUKLGKUPVBOE-NSHDSACASA-N 1 0 299.277 1.630 20 5 CDBDRO C[NH+](C)CC1(NC(=O)c2cc(F)ccc2[N+](=O)[O-])CCC1 ZINC000281016447 393154371 /nfs/dbraw/zinc/15/43/71/393154371.db2.gz GEERAUVGAHTQKZ-UHFFFAOYSA-N 1 0 295.314 1.948 20 5 CDBDRO C[C@@H]1OCC[C@]1(C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494226629 393228975 /nfs/dbraw/zinc/22/89/75/393228975.db2.gz IYYHUANPBZBGKZ-HZMBPMFUSA-N 1 0 293.323 1.690 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000148850091 139901170 /nfs/dbraw/zinc/90/11/70/139901170.db2.gz ZMBMSFFEPAOZIQ-MRVPVSSYSA-N 1 0 269.276 1.319 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235319443 140234153 /nfs/dbraw/zinc/23/41/53/140234153.db2.gz WIQMGCSJIKCXFJ-SKDRFNHKSA-N 1 0 263.297 1.322 20 5 CDBDRO C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251912938 140315490 /nfs/dbraw/zinc/31/54/90/140315490.db2.gz XHOJSXJWOFHAKM-WDEREUQCSA-N 1 0 292.339 1.202 20 5 CDBDRO [NH3+][C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261587766 140358254 /nfs/dbraw/zinc/35/82/54/140358254.db2.gz VHLGYAUSANXERA-JTQLQIEISA-N 1 0 253.277 1.657 20 5 CDBDRO COc1ccc(CN2CC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000261600235 140361630 /nfs/dbraw/zinc/36/16/30/140361630.db2.gz BMDHLXPAFJDGTG-OAHLLOKOSA-N 1 0 291.351 1.789 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H](CC[NH3+])C1 ZINC000261696856 140376868 /nfs/dbraw/zinc/37/68/68/140376868.db2.gz ICZVZEPJTWEBAK-LLVKDONJSA-N 1 0 281.360 1.685 20 5 CDBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000289447298 398100879 /nfs/dbraw/zinc/10/08/79/398100879.db2.gz BGNMHEATZVQCNR-STQMWFEESA-N 1 0 289.335 1.872 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@@H+](CCO)CC2CC2)cc1 ZINC000352458591 155200466 /nfs/dbraw/zinc/20/04/66/155200466.db2.gz MNYJPVYCLLYTSG-UHFFFAOYSA-N 1 0 264.325 1.842 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[NH2+]C1 ZINC000262280403 149045151 /nfs/dbraw/zinc/04/51/51/149045151.db2.gz ZDNBPPZEISNUFH-SNVBAGLBSA-N 1 0 251.286 1.055 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[NH2+]C1 ZINC000262280401 149045308 /nfs/dbraw/zinc/04/53/08/149045308.db2.gz ZDNBPPZEISNUFH-JTQLQIEISA-N 1 0 251.286 1.055 20 5 CDBDRO Nc1c(C(=O)NCC[C@@H]2CC[NH2+]C2)cc(F)cc1[N+](=O)[O-] ZINC000262581193 149077488 /nfs/dbraw/zinc/07/74/88/149077488.db2.gz MCCOJPSXEWEUQG-QMMMGPOBSA-N 1 0 296.302 1.046 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000311719747 149218469 /nfs/dbraw/zinc/21/84/69/149218469.db2.gz OXOHSVZOWANXLO-MRVPVSSYSA-N 1 0 269.276 1.591 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1CCO ZINC000312334828 149230183 /nfs/dbraw/zinc/23/01/83/149230183.db2.gz FHHRCTDRNDNOMZ-LBPRGKRZSA-N 1 0 280.324 1.950 20 5 CDBDRO C[NH2+]CCCN(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000336786872 151707157 /nfs/dbraw/zinc/70/71/57/151707157.db2.gz CWFRNJCFQGNMNQ-UHFFFAOYSA-N 1 0 255.293 1.775 20 5 CDBDRO Cc1c(CC(=O)N[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000346273535 153120282 /nfs/dbraw/zinc/12/02/82/153120282.db2.gz SCXXGYHILTVYHS-SNVBAGLBSA-N 1 0 279.340 1.512 20 5 CDBDRO CC1(C)CN(Cc2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000352720225 155390746 /nfs/dbraw/zinc/39/07/46/155390746.db2.gz LCENCBXYWLGWKA-UHFFFAOYSA-N 1 0 267.304 1.918 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000155929026 286382924 /nfs/dbraw/zinc/38/29/24/286382924.db2.gz IVFRKOPLJLAVBO-ONGXEEELSA-N 1 0 265.313 1.777 20 5 CDBDRO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@@H](C)O ZINC000352223312 155037782 /nfs/dbraw/zinc/03/77/82/155037782.db2.gz VCMMGSCGINYBBO-LLVKDONJSA-N 1 0 295.339 1.544 20 5 CDBDRO O=C1C[C@@]2(CN1)CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000353734620 156048313 /nfs/dbraw/zinc/04/83/13/156048313.db2.gz AGUCDJZEABINFU-OAHLLOKOSA-N 1 0 289.335 1.697 20 5 CDBDRO CC(C)[NH+](CCN(C)c1ncc([N+](=O)[O-])c(N)n1)C(C)C ZINC000355571857 157122259 /nfs/dbraw/zinc/12/22/59/157122259.db2.gz JLZNQPSLYBKPSR-UHFFFAOYSA-N 1 0 296.375 1.352 20 5 CDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000359205069 158162124 /nfs/dbraw/zinc/16/21/24/158162124.db2.gz DXYORYRUSQTKBE-CYBMUJFWSA-N 1 0 277.324 1.809 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](CO)c2cccc(F)c2)n1 ZINC000359531187 158279212 /nfs/dbraw/zinc/27/92/12/158279212.db2.gz ONXIWKGRUNKGJY-LBPRGKRZSA-N 1 0 294.286 1.254 20 5 CDBDRO Cc1c(CNC(=O)N(C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000359540189 158281643 /nfs/dbraw/zinc/28/16/43/158281643.db2.gz GPPRNNIYKVCIAU-UHFFFAOYSA-N 1 0 294.355 1.606 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOCC3(CCC3)C2)c1 ZINC000363903775 159352432 /nfs/dbraw/zinc/35/24/32/159352432.db2.gz KETNSEUGRZWRGR-UHFFFAOYSA-N 1 0 280.328 1.294 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1[N+](=O)[O-] ZINC000365279456 292420195 /nfs/dbraw/zinc/42/01/95/292420195.db2.gz YPHGUNNXWADZPJ-WCQYABFASA-N 1 0 289.335 1.727 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000372961880 160161226 /nfs/dbraw/zinc/16/12/26/160161226.db2.gz UZKNXGWAMCLDAP-YPMHNXCESA-N 1 0 289.335 1.348 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000374412284 160283970 /nfs/dbraw/zinc/28/39/70/160283970.db2.gz RCHOPMVJMKFNMZ-QWRGUYRKSA-N 1 0 280.328 1.187 20 5 CDBDRO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035140126 172007817 /nfs/dbraw/zinc/00/78/17/172007817.db2.gz POYINDAOJFKOQO-NXEZZACHSA-N 1 0 265.313 1.770 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[NH+](C2CCCC2)CC1 ZINC000285311239 196247952 /nfs/dbraw/zinc/24/79/52/196247952.db2.gz DYHIVRKUGQTAPY-UHFFFAOYSA-N 1 0 293.327 1.018 20 5 CDBDRO COCCOCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285446801 196286871 /nfs/dbraw/zinc/28/68/71/196286871.db2.gz YBQDZWHKANEVSQ-UHFFFAOYSA-N 1 0 282.340 1.732 20 5 CDBDRO CO[C@@H](C)C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000285569990 196330957 /nfs/dbraw/zinc/33/09/57/196330957.db2.gz HOZUTKBKDVREFX-RYUDHWBXSA-N 1 0 298.339 1.301 20 5 CDBDRO C[C@H](CC[NH+](C)C)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000286081614 196490854 /nfs/dbraw/zinc/49/08/54/196490854.db2.gz DKXKNRWBZMFDSR-SECBINFHSA-N 1 0 252.318 1.929 20 5 CDBDRO CC(C)C[C@@H]([NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676248 174373658 /nfs/dbraw/zinc/37/36/58/174373658.db2.gz NHKRCKWGNRXRJB-CYBMUJFWSA-N 1 0 279.340 1.627 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000041676984 174602331 /nfs/dbraw/zinc/60/23/31/174602331.db2.gz OGVSWERWCZSHJR-SECBINFHSA-N 1 0 253.306 1.527 20 5 CDBDRO C[NH2+]CCC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000043604628 175078187 /nfs/dbraw/zinc/07/81/87/175078187.db2.gz SOPLIWFZEOEITH-VIFPVBQESA-N 1 0 251.286 1.382 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000044572345 175209825 /nfs/dbraw/zinc/20/98/25/175209825.db2.gz HWZHJQXOUBDOKU-SECBINFHSA-N 1 0 255.322 1.471 20 5 CDBDRO CN(C(=O)c1csc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000044821094 175258554 /nfs/dbraw/zinc/25/85/54/175258554.db2.gz RQVXHGZGGPISPY-UHFFFAOYSA-N 1 0 283.353 1.823 20 5 CDBDRO COc1ccc(C[NH2+]CCC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000044992589 175286840 /nfs/dbraw/zinc/28/68/40/175286840.db2.gz ZEUVOIJPKMOQQZ-UHFFFAOYSA-N 1 0 281.312 1.171 20 5 CDBDRO CC[C@H]([NH2+]C[C@H](O)COC)c1cccc([N+](=O)[O-])c1 ZINC000071270544 176104030 /nfs/dbraw/zinc/10/40/30/176104030.db2.gz VLCDRUIJLIRHQL-STQMWFEESA-N 1 0 268.313 1.643 20 5 CDBDRO CCCN(c1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000071332829 176126039 /nfs/dbraw/zinc/12/60/39/176126039.db2.gz SHODNVZEKBRZKD-NSHDSACASA-N 1 0 292.339 1.272 20 5 CDBDRO COCC(C)(C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000076496179 177028932 /nfs/dbraw/zinc/02/89/32/177028932.db2.gz CMWVMSOQPCUINY-LBPRGKRZSA-N 1 0 298.339 1.349 20 5 CDBDRO CNc1ccc(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000517932937 260320301 /nfs/dbraw/zinc/32/03/01/260320301.db2.gz XWAWUUZDLSYBHB-NXEZZACHSA-N 1 0 292.339 1.459 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@]1(O)CCOC1 ZINC000516583623 270481742 /nfs/dbraw/zinc/48/17/42/270481742.db2.gz DOPVDZHQCJTDGP-TZMCWYRMSA-N 1 0 278.308 1.323 20 5 CDBDRO COc1cc(N2CC[NH2+]C(C)(C)C2)c(F)cc1[N+](=O)[O-] ZINC000227856450 274096463 /nfs/dbraw/zinc/09/64/63/274096463.db2.gz MAZZHSZQBHNJJX-UHFFFAOYSA-N 1 0 283.303 1.931 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000063193390 274506820 /nfs/dbraw/zinc/50/68/20/274506820.db2.gz KMSVTZJSUWRKHR-DTWKUNHWSA-N 1 0 267.285 1.530 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000089107261 274951699 /nfs/dbraw/zinc/95/16/99/274951699.db2.gz YVKZRDSBQNRBSF-RKDXNWHRSA-N 1 0 266.301 1.170 20 5 CDBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@@H]3CCOC3)CC2)nc1 ZINC000368187788 275041188 /nfs/dbraw/zinc/04/11/88/275041188.db2.gz ITYJBRLBFJVVOW-LLVKDONJSA-N 1 0 293.327 1.050 20 5 CDBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC([NH+](C)C)C1 ZINC000283730855 275803139 /nfs/dbraw/zinc/80/31/39/275803139.db2.gz HUHUBLWSYGWLRQ-UHFFFAOYSA-N 1 0 263.297 1.548 20 5 CDBDRO CC[C@@H](CNc1c([N+](=O)[O-])c(C)nn1C)[NH+]1CCCC1 ZINC000301302510 276425368 /nfs/dbraw/zinc/42/53/68/276425368.db2.gz WAGGXCFIYXVLLJ-NSHDSACASA-N 1 0 281.360 1.923 20 5 CDBDRO Cn1c(C(=O)NC2(C[NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000351625006 276781660 /nfs/dbraw/zinc/78/16/60/276781660.db2.gz RPHHCEXPAMPKBU-UHFFFAOYSA-N 1 0 280.328 1.147 20 5 CDBDRO C[NH+](C)CC1(Nc2ncc([N+](=O)[O-])cn2)CCC1 ZINC000281880823 276782500 /nfs/dbraw/zinc/78/25/00/276782500.db2.gz OAUSGQUFVQVHGS-UHFFFAOYSA-N 1 0 251.290 1.281 20 5 CDBDRO COCC[N@H+](CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000114562805 277216671 /nfs/dbraw/zinc/21/66/71/277216671.db2.gz FNVLSUVVNNHXNC-UHFFFAOYSA-N 1 0 268.313 1.078 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000262016955 277284905 /nfs/dbraw/zinc/28/49/05/277284905.db2.gz WKCGETGLVQWQCO-SNVBAGLBSA-N 1 0 278.312 1.001 20 5 CDBDRO CC(C)c1ccc(C(=O)N(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000424004788 278021543 /nfs/dbraw/zinc/02/15/43/278021543.db2.gz QXWCJOLIAOAOOZ-UHFFFAOYSA-N 1 0 265.313 1.749 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000418528610 278171315 /nfs/dbraw/zinc/17/13/15/278171315.db2.gz PCUHIAVZZUIMNZ-SNVBAGLBSA-N 1 0 280.328 1.474 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000286246921 278240060 /nfs/dbraw/zinc/24/00/60/278240060.db2.gz CAXNAEDVZJKSRK-VIFPVBQESA-N 1 0 264.329 1.925 20 5 CDBDRO C[C@@H]([NH2+]CCn1cncn1)c1ccc([N+](=O)[O-])cc1 ZINC000268814362 278349382 /nfs/dbraw/zinc/34/93/82/278349382.db2.gz JURBDYRTZXWOQF-SNVBAGLBSA-N 1 0 261.285 1.537 20 5 CDBDRO C[C@H]1C[NH2+]CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000054373900 278453353 /nfs/dbraw/zinc/45/33/53/278453353.db2.gz GEPFBCBBJVRJFA-VIFPVBQESA-N 1 0 253.277 1.528 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000261581153 278568957 /nfs/dbraw/zinc/56/89/57/278568957.db2.gz FVQPUQZOYWJZFT-FYBVGQRMSA-N 1 0 266.301 1.039 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC1CC1 ZINC000053183786 279182907 /nfs/dbraw/zinc/18/29/07/279182907.db2.gz KZBJFFNYEDPIKJ-UHFFFAOYSA-N 1 0 293.323 1.884 20 5 CDBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551670 279279322 /nfs/dbraw/zinc/27/93/22/279279322.db2.gz SVCGOLMPXGARML-WDEREUQCSA-N 1 0 265.313 1.487 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000108336194 279305038 /nfs/dbraw/zinc/30/50/38/279305038.db2.gz QBGKSKDMGUVSOJ-LBPRGKRZSA-N 1 0 291.351 1.595 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000108336191 279305143 /nfs/dbraw/zinc/30/51/43/279305143.db2.gz QBGKSKDMGUVSOJ-GFCCVEGCSA-N 1 0 291.351 1.595 20 5 CDBDRO CN(C)C(=O)C(C)(C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000114458102 279338596 /nfs/dbraw/zinc/33/85/96/279338596.db2.gz HAIPUFCYYTYYES-UHFFFAOYSA-N 1 0 295.339 1.430 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)CO ZINC000449094555 279382153 /nfs/dbraw/zinc/38/21/53/279382153.db2.gz SBZZMHIHOJQSPN-WDEREUQCSA-N 1 0 252.314 1.744 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000237159205 280161412 /nfs/dbraw/zinc/16/14/12/280161412.db2.gz KWFHKFGTLMHXOC-RWCYGVJQSA-N 1 0 295.314 1.719 20 5 CDBDRO C[C@H]1CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000237634499 280182904 /nfs/dbraw/zinc/18/29/04/280182904.db2.gz FXCGQXOZYKOYLR-GFAPAMAISA-N 1 0 293.298 1.567 20 5 CDBDRO CC[C@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)OC ZINC000514784367 280848403 /nfs/dbraw/zinc/84/84/03/280848403.db2.gz KZXHNEXPTFMBGA-CYBMUJFWSA-N 1 0 294.355 1.537 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089091047 281008518 /nfs/dbraw/zinc/00/85/18/281008518.db2.gz OQYIVTZYQXZTMA-ZYHUDNBSSA-N 1 0 277.324 1.760 20 5 CDBDRO Cc1nc(N2C[C@@H](C[NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000216235179 281944351 /nfs/dbraw/zinc/94/43/51/281944351.db2.gz VZVYWZLMCKFJSK-WCBMZHEXSA-N 1 0 250.302 1.472 20 5 CDBDRO C[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000560343018 293022862 /nfs/dbraw/zinc/02/28/62/293022862.db2.gz VSRNJJSYLXQEKX-SNVBAGLBSA-N 1 0 286.353 1.160 20 5 CDBDRO C[NH+](C)[C@@H]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000255770617 289386070 /nfs/dbraw/zinc/38/60/70/289386070.db2.gz IYMWEFCPKMBCND-LMVHVUTASA-N 1 0 289.335 1.771 20 5 CDBDRO Cc1cnc(N2CC[C@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000094342500 292914903 /nfs/dbraw/zinc/91/49/03/292914903.db2.gz ITUFXVAJGRWRPL-ZJUUUORDSA-N 1 0 250.302 1.472 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000562976311 293231033 /nfs/dbraw/zinc/23/10/33/293231033.db2.gz UEKRDYDXFKDHQV-JTQLQIEISA-N 1 0 293.323 1.427 20 5 CDBDRO COC[C@H](O)C[NH2+]CCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000562995745 293238444 /nfs/dbraw/zinc/23/84/44/293238444.db2.gz MHYRTPUYEZHJEU-GFCCVEGCSA-N 1 0 297.355 1.302 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000564728795 293402585 /nfs/dbraw/zinc/40/25/85/293402585.db2.gz FNZTYFXYIUTUNF-WDEREUQCSA-N 1 0 294.355 1.639 20 5 CDBDRO C[C@@H]1OCC[C@]1(O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567486432 293793964 /nfs/dbraw/zinc/79/39/64/293793964.db2.gz JPRVGFHMFHOPTH-XEGUGMAKSA-N 1 0 292.335 1.712 20 5 CDBDRO COc1cccc(C(=O)NCC(C)(C)[NH3+])c1[N+](=O)[O-] ZINC000568509307 294049445 /nfs/dbraw/zinc/04/94/45/294049445.db2.gz KSENJAKEFRSLJZ-UHFFFAOYSA-N 1 0 267.285 1.071 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000573322136 294794946 /nfs/dbraw/zinc/79/49/46/294794946.db2.gz PTFGPLZUSZHJOL-SECBINFHSA-N 1 0 281.312 1.189 20 5 CDBDRO C[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000574601480 295025729 /nfs/dbraw/zinc/02/57/29/295025729.db2.gz ZMXVGDMWWJKTPF-URLYPYJESA-N 1 0 268.317 1.337 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000574630225 295029257 /nfs/dbraw/zinc/02/92/57/295029257.db2.gz OHOYMBSKJHOKAN-NXEZZACHSA-N 1 0 281.312 1.073 20 5 CDBDRO CNc1ccc(C(=O)NC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000576517373 317153443 /nfs/dbraw/zinc/15/34/43/317153443.db2.gz JVJAAFDEUTWFPZ-SNVBAGLBSA-N 1 0 292.339 1.366 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000577370059 317316095 /nfs/dbraw/zinc/31/60/95/317316095.db2.gz UUQDLCKDAQTKSQ-BXKDBHETSA-N 1 0 293.323 1.218 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[NH+](C)C ZINC000192889984 323523571 /nfs/dbraw/zinc/52/35/71/323523571.db2.gz KWOGXWJNFCJEAL-UHFFFAOYSA-N 1 0 251.286 1.195 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH2+][C@H](C)[C@@H]1C ZINC000379432340 323598589 /nfs/dbraw/zinc/59/85/89/323598589.db2.gz JHVAPNKJWRSZLS-MNOVXSKESA-N 1 0 279.340 1.786 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000382446136 323640559 /nfs/dbraw/zinc/64/05/59/323640559.db2.gz JGKZIPBZKOFXSS-NEPJUHHUSA-N 1 0 277.324 1.381 20 5 CDBDRO CC[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)OC ZINC000578741802 324009818 /nfs/dbraw/zinc/00/98/18/324009818.db2.gz FRVWNYCXRIGRKP-STQMWFEESA-N 1 0 298.339 1.349 20 5 CDBDRO NC(=O)CC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000578786808 324026236 /nfs/dbraw/zinc/02/62/36/324026236.db2.gz VJYCJYSZUDGTEM-LBPRGKRZSA-N 1 0 289.335 1.827 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000582718842 325030047 /nfs/dbraw/zinc/03/00/47/325030047.db2.gz CTYDDHYJORLGTJ-CQDKDKBSSA-N 1 0 293.367 1.571 20 5 CDBDRO COC[C@H](C)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000584167689 327055033 /nfs/dbraw/zinc/05/50/33/327055033.db2.gz DGXXTELXRFRFDO-YPMHNXCESA-N 1 0 298.339 1.207 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000148786815 522032192 /nfs/dbraw/zinc/03/21/92/522032192.db2.gz VWQLDKYJZVQMMA-SECBINFHSA-N 1 0 265.313 1.489 20 5 CDBDRO CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168998571 1161997072 /nfs/dbraw/zinc/99/70/72/1161997072.db2.gz OSMZYOSZJXFKJI-AAVRWANBSA-N 1 0 283.372 1.469 20 5 CDBDRO C[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000293596868 534030021 /nfs/dbraw/zinc/03/00/21/534030021.db2.gz AMWIKFQIIZHNAA-VIFPVBQESA-N 1 0 280.328 1.105 20 5 CDBDRO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000153287723 534303313 /nfs/dbraw/zinc/30/33/13/534303313.db2.gz ZAUWGNKBKPHHJX-VXGBXAGGSA-N 1 0 291.351 1.736 20 5 CDBDRO COc1cc(N[C@@H]2CC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000227859998 522761752 /nfs/dbraw/zinc/76/17/52/522761752.db2.gz ATRRRGIBSRVARI-SSDOTTSWSA-N 1 0 255.249 1.516 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000050708057 523841336 /nfs/dbraw/zinc/84/13/36/523841336.db2.gz OLGZGQISOSIYAH-SNVBAGLBSA-N 1 0 292.339 1.249 20 5 CDBDRO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000225205346 524143487 /nfs/dbraw/zinc/14/34/87/524143487.db2.gz LXQYKEYXOVMVFO-RTXFEEFZSA-N 1 0 282.344 1.321 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000186788597 524155636 /nfs/dbraw/zinc/15/56/36/524155636.db2.gz PXARAUDPOQKKNU-GWCFXTLKSA-N 1 0 277.324 1.631 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH3+] ZINC000235647959 524534652 /nfs/dbraw/zinc/53/46/52/524534652.db2.gz PIPCPFUSFVMAIL-WRWORJQWSA-N 1 0 267.260 1.153 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1C[NH3+] ZINC000156110321 526086491 /nfs/dbraw/zinc/08/64/91/526086491.db2.gz MJQMZRQLUFBPCB-NSHDSACASA-N 1 0 299.352 1.015 20 5 CDBDRO O=C(CC[C@H]1CCC[NH2+]C1)NCc1cccc([N+](=O)[O-])c1 ZINC000052943188 526569906 /nfs/dbraw/zinc/56/99/06/526569906.db2.gz ZKJXBNVPCSZLPS-GFCCVEGCSA-N 1 0 291.351 1.991 20 5 CDBDRO O=C(C[NH2+]CC1CC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668523 526880662 /nfs/dbraw/zinc/88/06/62/526880662.db2.gz OJFRAJMIPWSADB-UHFFFAOYSA-N 1 0 263.297 1.211 20 5 CDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)C[C@@H]12 ZINC000185022498 527371909 /nfs/dbraw/zinc/37/19/09/527371909.db2.gz AQJQMGQCSXMBCY-DJLDLDEBSA-N 1 0 281.337 1.466 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000307888861 527794474 /nfs/dbraw/zinc/79/44/74/527794474.db2.gz AYXPBDHIMOVFPM-LLVKDONJSA-N 1 0 281.287 1.604 20 5 CDBDRO CCCc1n[nH]c(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC000153949890 528546605 /nfs/dbraw/zinc/54/66/05/528546605.db2.gz AHZPLRZQHWECIH-RKDXNWHRSA-N 1 0 295.343 1.093 20 5 CDBDRO CCOC[C@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269079343 535696541 /nfs/dbraw/zinc/69/65/41/535696541.db2.gz DNPBQEVYBVLTKN-OAHLLOKOSA-N 1 0 294.351 1.957 20 5 CDBDRO CC[C@@H](CO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000727060813 574540151 /nfs/dbraw/zinc/54/01/51/574540151.db2.gz VVVPMINUQNNERJ-QMMMGPOBSA-N 1 0 264.285 1.332 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](C(F)(F)F)C2)n1 ZINC000761058868 576539301 /nfs/dbraw/zinc/53/93/01/576539301.db2.gz UKLPHXPLOMXQDN-QMMMGPOBSA-N 1 0 278.234 1.676 20 5 CDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000744344908 576675753 /nfs/dbraw/zinc/67/57/53/576675753.db2.gz HPZDNADBENMTRX-LBPRGKRZSA-N 1 0 291.351 1.738 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](CCO)c2cccs2)c1 ZINC000754381674 576894048 /nfs/dbraw/zinc/89/40/48/576894048.db2.gz DNLSPULXOKOABG-LLVKDONJSA-N 1 0 296.352 1.566 20 5 CDBDRO C[NH+]1CCC([C@H]2CCN(Cn3nccc3[N+](=O)[O-])C2)CC1 ZINC000755780516 576960778 /nfs/dbraw/zinc/96/07/78/576960778.db2.gz NWLUOKPZZREOFZ-ZDUSSCGKSA-N 1 0 293.371 1.413 20 5 CDBDRO CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000750038208 576972848 /nfs/dbraw/zinc/97/28/48/576972848.db2.gz AEFVTHACGLIVIH-IUODEOHRSA-N 1 0 294.351 1.987 20 5 CDBDRO C[N@@H+](Cc1cn[nH]c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750108806 576976272 /nfs/dbraw/zinc/97/62/72/576976272.db2.gz WMHKHBNLANHSCP-CYBMUJFWSA-N 1 0 276.296 1.483 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NC1CC[NH+](C)CC1 ZINC000891573957 617484813 /nfs/dbraw/zinc/48/48/13/617484813.db2.gz VJPOHYZOZFXQLS-UHFFFAOYSA-N 1 0 266.301 1.505 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000892674801 617581497 /nfs/dbraw/zinc/58/14/97/617581497.db2.gz YQHOJXMRRHGCJI-ZJUUUORDSA-N 1 0 280.328 1.893 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000892680461 617586397 /nfs/dbraw/zinc/58/63/97/617586397.db2.gz ZAXPOACNCBIQNG-LLVKDONJSA-N 1 0 290.323 1.449 20 5 CDBDRO C[C@H](CNc1c([N+](=O)[O-])cnn1C)[N@@H+]1CCC[C@H](C)C1 ZINC000891829649 617625165 /nfs/dbraw/zinc/62/51/65/617625165.db2.gz HCQKNIAOFIKZBL-WDEREUQCSA-N 1 0 281.360 1.861 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N(C)CCC[NH+]1CCCC1 ZINC000893668490 617818304 /nfs/dbraw/zinc/81/83/04/617818304.db2.gz LWKFORARXQERDA-UHFFFAOYSA-N 1 0 294.355 1.921 20 5 CDBDRO O=C(CC[N@H+]1CC[C@@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000934017571 617855695 /nfs/dbraw/zinc/85/56/95/617855695.db2.gz SIZNWZGWTQYANL-SNVBAGLBSA-N 1 0 297.286 1.129 20 5 CDBDRO COc1c(O)ccc(C[NH2+]CCOCC2CC2)c1[N+](=O)[O-] ZINC000892947850 617955040 /nfs/dbraw/zinc/95/50/40/617955040.db2.gz IWZVRMSMUYDBLV-UHFFFAOYSA-N 1 0 296.323 1.825 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c1 ZINC000895245345 619486635 /nfs/dbraw/zinc/48/66/35/619486635.db2.gz FTPRLVFXACJEAC-SWLSCSKDSA-N 1 0 292.383 1.949 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000902808672 625397409 /nfs/dbraw/zinc/39/74/09/625397409.db2.gz DKMBNZQEWVWDAE-ITGUQSILSA-N 1 0 290.323 1.619 20 5 CDBDRO CC(C)[NH+](Cc1cn(CC(C)(C)[N+](=O)[O-])nn1)C(C)C ZINC000899729745 622391569 /nfs/dbraw/zinc/39/15/69/622391569.db2.gz AGEBGKBWDLKWEL-UHFFFAOYSA-N 1 0 283.376 1.952 20 5 CDBDRO NC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000902418713 624783674 /nfs/dbraw/zinc/78/36/74/624783674.db2.gz YQBLKKNXULLSLF-UHFFFAOYSA-N 1 0 290.367 1.645 20 5 CDBDRO NOCCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000904456416 626301460 /nfs/dbraw/zinc/30/14/60/626301460.db2.gz HHBYUDZSEFRZIH-UHFFFAOYSA-N 1 0 291.254 1.566 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000905080185 626393817 /nfs/dbraw/zinc/39/38/17/626393817.db2.gz LEQUELIPVNXYKP-UHFFFAOYSA-N 1 0 260.297 1.281 20 5 CDBDRO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905264769 626713633 /nfs/dbraw/zinc/71/36/33/626713633.db2.gz YBUZYJCOPPBRRA-UWVGGRQHSA-N 1 0 291.323 1.200 20 5 CDBDRO CC[C@H](C)[NH2+][C@H](CNCC[N+](=O)[O-])c1ccco1 ZINC000905294829 626723633 /nfs/dbraw/zinc/72/36/33/626723633.db2.gz LIJLVARBGUMTSH-WDEREUQCSA-N 1 0 255.318 1.575 20 5 CDBDRO CC[C@H](C)[NH2+][C@@H](CNCC[N+](=O)[O-])c1ccco1 ZINC000905294828 626723852 /nfs/dbraw/zinc/72/38/52/626723852.db2.gz LIJLVARBGUMTSH-QWRGUYRKSA-N 1 0 255.318 1.575 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000905367765 626786321 /nfs/dbraw/zinc/78/63/21/626786321.db2.gz VCRQLSVGCKWKKY-OLZOCXBDSA-N 1 0 268.288 1.158 20 5 CDBDRO Cn1cnc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000905682528 626928130 /nfs/dbraw/zinc/92/81/30/626928130.db2.gz LQPKNPZJPOXMPS-CYBMUJFWSA-N 1 0 276.296 1.152 20 5 CDBDRO CC(C)[NH2+]Cc1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000905791845 626976460 /nfs/dbraw/zinc/97/64/60/626976460.db2.gz JXBVVAFCOYUDHT-UHFFFAOYSA-N 1 0 293.302 1.872 20 5 CDBDRO C[NH2+]CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911748615 629466289 /nfs/dbraw/zinc/46/62/89/629466289.db2.gz OUSJWZRUBHOZAZ-RYUDHWBXSA-N 1 0 263.297 1.034 20 5 CDBDRO O=[N+]([O-])c1cnn(CN2CC[NH+](C3CCCC3)CC2)c1 ZINC000914568512 631517119 /nfs/dbraw/zinc/51/71/19/631517119.db2.gz SBXHMFMURJEJEW-UHFFFAOYSA-N 1 0 279.344 1.309 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000915371946 631709562 /nfs/dbraw/zinc/70/95/62/631709562.db2.gz KQDAHSRXEJWWFX-SECBINFHSA-N 1 0 289.291 1.285 20 5 CDBDRO CC[N@H+](CCOC)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000921045795 632872300 /nfs/dbraw/zinc/87/23/00/632872300.db2.gz FCFBQKMDXUAFTO-UHFFFAOYSA-N 1 0 278.312 1.870 20 5 CDBDRO C[N@@H+]1CC[C@H](Nc2ccc3nsnc3c2[N+](=O)[O-])C1 ZINC001167278560 1158556037 /nfs/dbraw/zinc/55/60/37/1158556037.db2.gz MBOQGLXJCPGNFV-ZETCQYMHSA-N 1 0 279.325 1.716 20 5 CDBDRO COC(=O)CC[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170304238 1162329124 /nfs/dbraw/zinc/32/91/24/1162329124.db2.gz AHIBUPOCBNEXHA-JTQLQIEISA-N 1 0 296.323 1.687 20 5 CDBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC001170334543 1162339479 /nfs/dbraw/zinc/33/94/79/1162339479.db2.gz GOZPWXKGEVUOKY-YPMHNXCESA-N 1 0 294.351 1.991 20 5 CDBDRO COc1cccc(N[C@H](C)[C@@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001170567607 1162940007 /nfs/dbraw/zinc/94/00/07/1162940007.db2.gz KUEMSUSLUMROQX-SKDRFNHKSA-N 1 0 281.312 1.392 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H]2C[NH2+]CCO2)n1 ZINC001170569473 1162948391 /nfs/dbraw/zinc/94/83/91/1162948391.db2.gz SIKMFRSVZIAACH-GXSJLCMTSA-N 1 0 266.301 1.087 20 5 CDBDRO Cc1c(N[C@@H](C)[C@H]2C[NH2+]CCO2)cc(F)cc1[N+](=O)[O-] ZINC001170567783 1162949866 /nfs/dbraw/zinc/94/98/66/1162949866.db2.gz LUWBTGQVDZWAQN-TVQRCGJNSA-N 1 0 283.303 1.831 20 5 CDBDRO Cc1cnc(N[C@H](C)[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC001170571053 1162958677 /nfs/dbraw/zinc/95/86/77/1162958677.db2.gz XUSVOQBVVBCXRQ-KOLCDFICSA-N 1 0 266.301 1.087 20 5 CDBDRO CC[NH+]1CCC(Oc2nc(OC)ccc2[N+](=O)[O-])CC1 ZINC001234880208 1161145609 /nfs/dbraw/zinc/14/56/09/1161145609.db2.gz YQOVEBCEEILODG-UHFFFAOYSA-N 1 0 281.312 1.862 20 5 CDBDRO [NH3+][C@H]1CCc2nn(-c3cc(F)cc(F)c3[N+](=O)[O-])cc2C1 ZINC001168821554 1161988734 /nfs/dbraw/zinc/98/87/34/1161988734.db2.gz PSCXXGKGCBBHTK-VIFPVBQESA-N 1 0 294.261 1.875 20 5 CDBDRO CC(C)(C)N1CC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168998246 1161996683 /nfs/dbraw/zinc/99/66/83/1161996683.db2.gz KLZXPUPNBVJZDM-WDEREUQCSA-N 1 0 255.362 1.504 20 5 CDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC[NH2+]1 ZINC000217434305 1164117418 /nfs/dbraw/zinc/11/74/18/1164117418.db2.gz CISJKECTMZCGIJ-OYVUYXNMSA-N 1 0 289.335 1.866 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000866252779 1164757391 /nfs/dbraw/zinc/75/73/91/1164757391.db2.gz PUXHJORDFLQRLM-BXKDBHETSA-N 1 0 295.314 1.485 20 5 CDBDRO Cc1cnc(NCc2noc3c2C[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001155494803 1167195901 /nfs/dbraw/zinc/19/59/01/1167195901.db2.gz HJIWWQVEPAHESA-UHFFFAOYSA-N 1 0 289.295 1.544 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001155510661 1167204240 /nfs/dbraw/zinc/20/42/40/1167204240.db2.gz XNQZMZYUJUYMIY-UFBFGSQYSA-N 1 0 298.730 1.291 20 5 CDBDRO C[NH2+]C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000063167746 1169104486 /nfs/dbraw/zinc/10/44/86/1169104486.db2.gz LOSMYZDNYVWLPH-SECBINFHSA-N 1 0 283.353 1.870 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)[C@@H]1CCC[NH2+]1 ZINC001574339577 1170950912 /nfs/dbraw/zinc/95/09/12/1170950912.db2.gz VNLHIOPRXPSFPP-LBPRGKRZSA-N 1 0 286.291 1.834 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CNOC1 ZINC001574979716 1171073785 /nfs/dbraw/zinc/07/37/85/1171073785.db2.gz LPXNYBOXZORJQZ-DJTWPOEFSA-N 1 0 263.297 1.491 20 5 CDBDRO CC(C)(C(=O)NC[C@@H]1CC[NH2+]1)c1ccc([N+](=O)[O-])cc1F ZINC001575088467 1171110939 /nfs/dbraw/zinc/11/09/39/1171110939.db2.gz AEDBWZFUOMYWGA-VIFPVBQESA-N 1 0 295.314 1.490 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001576612736 1171468732 /nfs/dbraw/zinc/46/87/32/1171468732.db2.gz VCJSBNNDFOEMSP-WCBMZHEXSA-N 1 0 288.307 1.638 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)CC[NH2+]1 ZINC001576622646 1171469792 /nfs/dbraw/zinc/46/97/92/1171469792.db2.gz FZDLVCGVRCYJJK-RKDXNWHRSA-N 1 0 278.312 1.047 20 5 CDBDRO Cc1cc(C(=O)N2CC[NH2+][C@@H]3C[C@@H]32)cc([N+](=O)[O-])c1 ZINC001579558207 1172211431 /nfs/dbraw/zinc/21/14/31/1172211431.db2.gz SRGQMLZXGDLLAB-NEPJUHHUSA-N 1 0 261.281 1.090 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1C[NH2+]CC12CC2 ZINC001579642617 1172233290 /nfs/dbraw/zinc/23/32/90/1172233290.db2.gz MOHKXDIONSHRLU-GFCCVEGCSA-N 1 0 290.323 1.777 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2OCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC001579666893 1172238211 /nfs/dbraw/zinc/23/82/11/1172238211.db2.gz CJQWRWHYWWHALI-NDMJEZRESA-N 1 0 293.323 1.197 20 5 CDBDRO [NH3+][C@H](CC1CC1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001580122168 1172354818 /nfs/dbraw/zinc/35/48/18/1172354818.db2.gz OPKLIKATLMVDIG-CYBMUJFWSA-N 1 0 293.323 1.217 20 5 CDBDRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(c1c([N+](=O)[O-])cccc1[N+](=O)[O-])C2 ZINC001580169245 1172367388 /nfs/dbraw/zinc/36/73/88/1172367388.db2.gz DWPGXQOZJJYBSC-GUBZILKMSA-N 1 0 292.295 1.819 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC4(C3)CC[NH2+]CC4)c21 ZINC001580875556 1172557944 /nfs/dbraw/zinc/55/79/44/1172557944.db2.gz MOYYJRBGYZZRBL-UHFFFAOYSA-N 1 0 299.334 1.728 20 5 CDBDRO CC(C)N(C)CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158641067 1178226455 /nfs/dbraw/zinc/22/64/55/1178226455.db2.gz ODGLAINGZITIKC-AWEZNQCLSA-N 1 0 281.356 1.558 20 5 CDBDRO O=[N+]([O-])c1cnc(O[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000236052528 1178248528 /nfs/dbraw/zinc/24/85/28/1178248528.db2.gz MSFHVVQXCWHXNV-MRVPVSSYSA-N 1 0 257.677 1.774 20 5 CDBDRO CC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCN(C)C1 ZINC000311922729 1186693179 /nfs/dbraw/zinc/69/31/79/1186693179.db2.gz BZINTVIHFDDFGY-LLVKDONJSA-N 1 0 264.281 1.880 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CC[NH+](C3CCCC3)CC2)c1 ZINC001165028839 721852724 /nfs/dbraw/zinc/85/27/24/721852724.db2.gz GLTBIQMYNUDHAO-UHFFFAOYSA-N 1 0 292.339 1.293 20 5 CDBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccco1 ZINC000839762653 736385996 /nfs/dbraw/zinc/38/59/96/736385996.db2.gz FBPZRPJTHJMYTA-WHOHXGKFSA-N 1 0 295.339 1.490 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818021180 736508409 /nfs/dbraw/zinc/50/84/09/736508409.db2.gz UJGNYNLCNITSIU-UHFFFAOYSA-N 1 0 266.301 1.034 20 5 CDBDRO Cc1nn(C)c(N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000050163945 736438659 /nfs/dbraw/zinc/43/86/59/736438659.db2.gz VQVZWQJRLMSYGQ-WCBMZHEXSA-N 1 0 267.333 1.437 20 5 CDBDRO COC(=O)[C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819368453 736440757 /nfs/dbraw/zinc/44/07/57/736440757.db2.gz GHLHAJRTRGLPPA-LOWVWBTDSA-N 1 0 294.307 1.169 20 5 CDBDRO C[S@@](=O)CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000229235523 736484227 /nfs/dbraw/zinc/48/42/27/736484227.db2.gz ZPVJSPPACUSTKT-GOSISDBHSA-N 1 0 270.354 1.496 20 5 CDBDRO CO[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000831535741 736616572 /nfs/dbraw/zinc/61/65/72/736616572.db2.gz ZJECXRDCRVGVDN-KCPJHIHWSA-N 1 0 294.351 1.985 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700608467 736605985 /nfs/dbraw/zinc/60/59/85/736605985.db2.gz HULKKWUKFJSZQT-SECBINFHSA-N 1 0 283.715 1.730 20 5 CDBDRO O=[N+]([O-])c1c(F)nccc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000881907933 736630633 /nfs/dbraw/zinc/63/06/33/736630633.db2.gz IEAVYBMTUBVDKB-SNVBAGLBSA-N 1 0 280.303 1.803 20 5 CDBDRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CC[N+](=O)[O-])C1(C)C ZINC000930879018 736632115 /nfs/dbraw/zinc/63/21/15/736632115.db2.gz GWTOHRAPFLPXSR-VHSXEESVSA-N 1 0 287.360 1.545 20 5 CDBDRO CCC[NH+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000823081565 736649493 /nfs/dbraw/zinc/64/94/93/736649493.db2.gz XNCDBBKXWQLFAR-UHFFFAOYSA-N 1 0 271.361 1.376 20 5 CDBDRO C[C@@H]([NH3+])CN(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000861565964 736775956 /nfs/dbraw/zinc/77/59/56/736775956.db2.gz XKWQXGPPWYUBJI-SNVBAGLBSA-N 1 0 280.328 1.126 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1cccnc1[N+](=O)[O-] ZINC000886827558 736721334 /nfs/dbraw/zinc/72/13/34/736721334.db2.gz NHOBNOPIOMFEPR-ZYHUDNBSSA-N 1 0 264.329 1.692 20 5 CDBDRO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)c1 ZINC000712287982 736823280 /nfs/dbraw/zinc/82/32/80/736823280.db2.gz GCMFZXXKVSYUAM-KWCYVHTRSA-N 1 0 262.309 1.798 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776583001 736932616 /nfs/dbraw/zinc/93/26/16/736932616.db2.gz YICZTZLTXMAAET-HUUCEWRRSA-N 1 0 293.367 1.654 20 5 CDBDRO C[NH+](C)CC1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000800846855 738466827 /nfs/dbraw/zinc/46/68/27/738466827.db2.gz YYSGSNOEKDPREF-UHFFFAOYSA-N 1 0 278.356 1.955 20 5 CDBDRO Nc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000050273133 737053629 /nfs/dbraw/zinc/05/36/29/737053629.db2.gz NXBWXPXGQPZXNM-SNVBAGLBSA-N 1 0 290.323 1.144 20 5 CDBDRO CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000923359143 737060452 /nfs/dbraw/zinc/06/04/52/737060452.db2.gz OBOFEXRTUUUQBU-KBPBESRZSA-N 1 0 279.340 1.297 20 5 CDBDRO Cc1cc(F)cc(C(=O)NC[C@@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000843347493 737094456 /nfs/dbraw/zinc/09/44/56/737094456.db2.gz UEDJQTLTFLOGKV-LLVKDONJSA-N 1 0 283.303 1.755 20 5 CDBDRO C[N@@H+]1CC[C@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000928562040 737252280 /nfs/dbraw/zinc/25/22/80/737252280.db2.gz CPGZEUMWEDIGPK-ZDUSSCGKSA-N 1 0 277.324 1.348 20 5 CDBDRO C[C@@H]([NH2+][C@@H](CO)CCF)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846210612 737322998 /nfs/dbraw/zinc/32/29/98/737322998.db2.gz ZQUAVZNPHQEGRN-PSASIEDQSA-N 1 0 271.292 1.548 20 5 CDBDRO [NH3+]C1CCN(CCNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000721984750 737467599 /nfs/dbraw/zinc/46/75/99/737467599.db2.gz HAAAIDZGFPWEHC-UHFFFAOYSA-N 1 0 299.762 1.478 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000876527801 737777719 /nfs/dbraw/zinc/77/77/19/737777719.db2.gz FNDWIWYESUPFES-LLVKDONJSA-N 1 0 277.324 1.646 20 5 CDBDRO Cc1c(C[NH+]2CCC(CO)(CO)CC2)cccc1[N+](=O)[O-] ZINC000877796191 737704630 /nfs/dbraw/zinc/70/46/30/737704630.db2.gz KVXJFONFVOQWHI-UHFFFAOYSA-N 1 0 294.351 1.470 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520864 738069250 /nfs/dbraw/zinc/06/92/50/738069250.db2.gz QCMIJHMLXICBPX-WCQYABFASA-N 1 0 261.325 1.636 20 5 CDBDRO CCOc1ccc(C(=O)NC[C@H](C)[NH2+]C)cc1[N+](=O)[O-] ZINC000261713945 738096030 /nfs/dbraw/zinc/09/60/30/738096030.db2.gz KFJQOYCIFPBEAW-VIFPVBQESA-N 1 0 281.312 1.331 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819058576 738224888 /nfs/dbraw/zinc/22/48/88/738224888.db2.gz MTXNFAJGNLIGFY-IUODEOHRSA-N 1 0 295.383 1.948 20 5 CDBDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2cccnc2[N+](=O)[O-])[C@@H]1C ZINC000886841706 738396818 /nfs/dbraw/zinc/39/68/18/738396818.db2.gz SPNSWFBJPVVPDX-NQBHXWOUSA-N 1 0 278.356 1.938 20 5 CDBDRO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000886129495 738558540 /nfs/dbraw/zinc/55/85/40/738558540.db2.gz GXUIKMLONIUZPG-KOLCDFICSA-N 1 0 251.286 1.504 20 5 CDBDRO CCn1cc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000819305175 738688681 /nfs/dbraw/zinc/68/86/81/738688681.db2.gz HDOQBIRSNBLVQW-CQSZACIVSA-N 1 0 290.323 1.634 20 5 CDBDRO Cc1ccc([C@@H](O)C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000819177843 738702484 /nfs/dbraw/zinc/70/24/84/738702484.db2.gz WWKNRHVNMXBZKK-AWEZNQCLSA-N 1 0 290.323 1.423 20 5 CDBDRO CC(C)[N@H+](C)CCCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822487168 738808859 /nfs/dbraw/zinc/80/88/59/738808859.db2.gz KDNDWEGRFZLNJP-UHFFFAOYSA-N 1 0 273.377 1.668 20 5 CDBDRO CC1(C)OC[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000819155065 738840629 /nfs/dbraw/zinc/84/06/29/738840629.db2.gz MOHWTKATDANIDD-STQMWFEESA-N 1 0 296.323 1.369 20 5 CDBDRO C[C@H](O)C[C@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000252766295 738857220 /nfs/dbraw/zinc/85/72/20/738857220.db2.gz QDEGQAAWFSJMBC-KWBADKCTSA-N 1 0 268.313 1.377 20 5 CDBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])C2 ZINC000854734803 738878703 /nfs/dbraw/zinc/87/87/03/738878703.db2.gz DJYOLBBBPGEMQF-HNNXBMFYSA-N 1 0 297.399 1.766 20 5 CDBDRO [NH3+]CCN(CCc1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000713311340 738912676 /nfs/dbraw/zinc/91/26/76/738912676.db2.gz HHWBUZVCZRYESY-UHFFFAOYSA-N 1 0 291.273 1.960 20 5 CDBDRO [NH3+][C@@H](CC1CC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000311350840 738923239 /nfs/dbraw/zinc/92/32/39/738923239.db2.gz LTWTYNZQMDPKAE-LBPRGKRZSA-N 1 0 263.297 1.338 20 5 CDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818016373 736402554 /nfs/dbraw/zinc/40/25/54/736402554.db2.gz UKXSAYRHTMJRGR-CQSZACIVSA-N 1 0 293.298 1.702 20 5 CDBDRO CC(C)(CCC(=O)NC1CC[NH+](CC2CC2)CC1)[N+](=O)[O-] ZINC000822618695 736413708 /nfs/dbraw/zinc/41/37/08/736413708.db2.gz RJZYGXHZEZQRQI-UHFFFAOYSA-N 1 0 297.399 1.813 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2cscn2)c1 ZINC000819164512 736512088 /nfs/dbraw/zinc/51/20/88/736512088.db2.gz RZSNGEIXYGKJRN-CYBMUJFWSA-N 1 0 293.348 1.917 20 5 CDBDRO C[N@@H+]1CC[C@H](C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000854494444 736519509 /nfs/dbraw/zinc/51/95/09/736519509.db2.gz CKKZQGFFXAEHHN-QMMMGPOBSA-N 1 0 264.285 1.067 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CCOCC23CCC3)cc1 ZINC000776591426 736698746 /nfs/dbraw/zinc/69/87/46/736698746.db2.gz PKQQQRVFGRHSNO-AWEZNQCLSA-N 1 0 292.335 1.883 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000884431854 736792179 /nfs/dbraw/zinc/79/21/79/736792179.db2.gz KEXZKYRQRWOEEJ-UHFFFAOYSA-N 1 0 265.313 1.632 20 5 CDBDRO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000778256246 736800710 /nfs/dbraw/zinc/80/07/10/736800710.db2.gz ZJNLRZHIHIOUQT-LERXQTSPSA-N 1 0 280.324 1.331 20 5 CDBDRO C[C@H](CCNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+](C)C ZINC000855417901 736831279 /nfs/dbraw/zinc/83/12/79/736831279.db2.gz RKESICRTDIHPBT-SNVBAGLBSA-N 1 0 259.350 1.278 20 5 CDBDRO CON(C)CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000883171395 736831638 /nfs/dbraw/zinc/83/16/38/736831638.db2.gz XFXGURGJQQVELN-UHFFFAOYSA-N 1 0 267.329 1.794 20 5 CDBDRO CN1CC[C@@H]1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000922574302 736944111 /nfs/dbraw/zinc/94/41/11/736944111.db2.gz LBUFCDORQZLKSC-LLVKDONJSA-N 1 0 293.323 1.160 20 5 CDBDRO C[C@@H](CC[NH+](C)C)Nc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865477021 738951084 /nfs/dbraw/zinc/95/10/84/738951084.db2.gz MVMCLARMQROMQV-VIFPVBQESA-N 1 0 285.319 1.978 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@H](C)[NH3+] ZINC000859683886 737065945 /nfs/dbraw/zinc/06/59/45/737065945.db2.gz BCOGUNVGFQLMOX-VIFPVBQESA-N 1 0 296.327 1.804 20 5 CDBDRO C[C@@H](O)[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886081220 737105732 /nfs/dbraw/zinc/10/57/32/737105732.db2.gz KDFXUSYWZHXIGM-MNOVXSKESA-N 1 0 265.313 1.583 20 5 CDBDRO Cc1c(C[NH2+]CCC[S@@](C)=O)cccc1[N+](=O)[O-] ZINC000229241901 737218077 /nfs/dbraw/zinc/21/80/77/737218077.db2.gz RBJIUXSFCYITHE-GOSISDBHSA-N 1 0 270.354 1.761 20 5 CDBDRO C[C@@H](COC(=O)Cn1ccc([N+](=O)[O-])n1)[NH+]1CCCCC1 ZINC000847960570 737227746 /nfs/dbraw/zinc/22/77/46/737227746.db2.gz NLGSVCXXSSGNIA-NSHDSACASA-N 1 0 296.327 1.209 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000886840111 737457699 /nfs/dbraw/zinc/45/76/99/737457699.db2.gz TUFAYZLQDNXCHB-QWHCGFSZSA-N 1 0 290.367 1.811 20 5 CDBDRO C[C@@H]1CN(CC[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000929993348 737493039 /nfs/dbraw/zinc/49/30/39/737493039.db2.gz BTLXJEXWDUVGHA-GHMZBOCLSA-N 1 0 287.360 1.498 20 5 CDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CC2CCCCC2)C1 ZINC001042711065 737541777 /nfs/dbraw/zinc/54/17/77/737541777.db2.gz NURWPBKWOQVVQY-ZIAGYGMSSA-N 1 0 295.383 1.375 20 5 CDBDRO CN1CC[C@@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000922574480 737551516 /nfs/dbraw/zinc/55/15/16/737551516.db2.gz NWFDTLISHWSKQP-RYWCDNDXSA-N 1 0 261.325 1.902 20 5 CDBDRO C[N@@H+](CC1=CCCOC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852519336 737644576 /nfs/dbraw/zinc/64/45/76/737644576.db2.gz ZDKLIVUOQOWDDO-HNNXBMFYSA-N 1 0 292.335 1.907 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@@H]1c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000823087398 738986106 /nfs/dbraw/zinc/98/61/06/738986106.db2.gz BLKIENBDFWHBMR-JGVFFNPUSA-N 1 0 292.299 1.234 20 5 CDBDRO C[C@@H]([NH2+]CCc1ccn(C)n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815616033 737784772 /nfs/dbraw/zinc/78/47/72/737784772.db2.gz DTWPPSMLZSEJBM-SNVBAGLBSA-N 1 0 289.339 1.804 20 5 CDBDRO C[C@@H](CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000823615186 737858318 /nfs/dbraw/zinc/85/83/18/737858318.db2.gz DRJVFMFDZPISST-GDLCADMTSA-N 1 0 291.351 1.765 20 5 CDBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cccnc4[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000886202916 737884037 /nfs/dbraw/zinc/88/40/37/737884037.db2.gz HYCIKEHARFWAPE-HTVCTNPSSA-N 1 0 289.335 1.845 20 5 CDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702063932 737929013 /nfs/dbraw/zinc/92/90/13/737929013.db2.gz PDXRTFGKXBSQFP-SECBINFHSA-N 1 0 297.742 1.978 20 5 CDBDRO CO[C@H](C[NH3+])Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000232130565 738092583 /nfs/dbraw/zinc/09/25/83/738092583.db2.gz MCFCNEDRQQLSIB-JTQLQIEISA-N 1 0 278.268 1.161 20 5 CDBDRO CNC(=O)c1ccc(N2CC[NH2+]C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000212605038 739019795 /nfs/dbraw/zinc/01/97/95/739019795.db2.gz MAOSCFCJYFAVQD-UHFFFAOYSA-N 1 0 292.339 1.143 20 5 CDBDRO C[NH2+]C[C@@H](C)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000854232539 739048229 /nfs/dbraw/zinc/04/82/29/739048229.db2.gz SEUAIUDDIVUJIQ-RKDXNWHRSA-N 1 0 252.318 1.436 20 5 CDBDRO C[C@@]12COC[C@@H]1C[N@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC000886280528 739053607 /nfs/dbraw/zinc/05/36/07/739053607.db2.gz GIDLERJQBCFQJV-WCQYABFASA-N 1 0 263.297 1.458 20 5 CDBDRO [NH3+][C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000843345250 739056651 /nfs/dbraw/zinc/05/66/51/739056651.db2.gz NGBPOZKSMUFTLG-SECBINFHSA-N 1 0 298.730 1.220 20 5 CDBDRO CC(C)[C@H]1C[NH2+]CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923398959 739112691 /nfs/dbraw/zinc/11/26/91/739112691.db2.gz MVXAEXWZFKUDLQ-CABCVRRESA-N 1 0 293.367 1.558 20 5 CDBDRO COCCOCC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216234 912298983 /nfs/dbraw/zinc/29/89/83/912298983.db2.gz HJXMBDLYMCUKFO-LBPRGKRZSA-N 1 0 282.340 1.778 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH3+])C1 ZINC001173217756 912301431 /nfs/dbraw/zinc/30/14/31/912301431.db2.gz LXFOXTJBZRIUBQ-YPMHNXCESA-N 1 0 263.341 1.949 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CCC[NH3+])C(=O)[O-] ZINC001173222192 912307546 /nfs/dbraw/zinc/30/75/46/912307546.db2.gz VANPGRYCODKBSB-GWCFXTLKSA-N 1 0 295.339 1.308 20 5 CDBDRO CNC(=O)CC[N@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173225770 912318543 /nfs/dbraw/zinc/31/85/43/912318543.db2.gz GCQCVWARJAJWDF-LLVKDONJSA-N 1 0 279.340 1.594 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CNC(=O)C1(C)C ZINC001173229307 912318911 /nfs/dbraw/zinc/31/89/11/912318911.db2.gz MNNNQLXQXYWSOA-GXFFZTMASA-N 1 0 291.351 1.640 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]1C(N)=O ZINC001173229884 912318950 /nfs/dbraw/zinc/31/89/50/912318950.db2.gz VZCCHPCJPGXWJK-GWCFXTLKSA-N 1 0 277.324 1.476 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CC[C@@H](O)C1 ZINC001173234150 912327455 /nfs/dbraw/zinc/32/74/55/912327455.db2.gz NSYDIESRNDIJPA-SWLSCSKDSA-N 1 0 293.367 1.182 20 5 CDBDRO C[C@@H](CCO)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173213792 912336256 /nfs/dbraw/zinc/33/62/56/912336256.db2.gz KLZXCLGXLXNTBU-QWRGUYRKSA-N 1 0 252.314 1.886 20 5 CDBDRO COc1cc(CC[N+](=O)[O-])ccc1OC1CC[NH+](C)CC1 ZINC001233979793 913172920 /nfs/dbraw/zinc/17/29/20/913172920.db2.gz DEHYKXSMAXOURC-UHFFFAOYSA-N 1 0 294.351 1.987 20 5 CDBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC001122475870 913760265 /nfs/dbraw/zinc/76/02/65/913760265.db2.gz ABRVZAJQCCIELN-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO O=C(CC1CCC1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001125271407 893951796 /nfs/dbraw/zinc/95/17/96/893951796.db2.gz XUOOXAWLYMRTGP-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO Cc1cnc(-n2ccnc2[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001167055838 894058128 /nfs/dbraw/zinc/05/81/28/894058128.db2.gz MMAWLLOLWZRLRH-NSHDSACASA-N 1 0 287.323 1.951 20 5 CDBDRO CN(C)c1ccc(-n2cccc2C[NH3+])c([N+](=O)[O-])c1 ZINC001167593689 896952319 /nfs/dbraw/zinc/95/23/19/896952319.db2.gz ZMSCFTWPWYNPGG-UHFFFAOYSA-N 1 0 260.297 1.910 20 5 CDBDRO [NH3+]Cc1nn(-c2cnc(F)c([N+](=O)[O-])c2)c2ccccc12 ZINC001167697752 898577946 /nfs/dbraw/zinc/57/79/46/898577946.db2.gz DZWAVRPKGPGGIQ-UHFFFAOYSA-N 1 0 287.254 1.927 20 5 CDBDRO [NH3+]CCc1ccn(-c2nc3c(cc2[N+](=O)[O-])CCCC3)n1 ZINC001167728052 899460914 /nfs/dbraw/zinc/46/09/14/899460914.db2.gz ITXONCMZELIUBJ-UHFFFAOYSA-N 1 0 287.323 1.556 20 5 CDBDRO Cc1cnc(N[C@@]23CCC[C@@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000711690810 904021341 /nfs/dbraw/zinc/02/13/41/904021341.db2.gz LKHWYLGIAZBEKX-WCQYABFASA-N 1 0 262.313 1.995 20 5 CDBDRO CN(c1ncc([N+](=O)[O-])cc1Cl)C(C)(C)C[NH3+] ZINC000714243099 906815367 /nfs/dbraw/zinc/81/53/67/906815367.db2.gz XYPQAXURLGBMJO-UHFFFAOYSA-N 1 0 258.709 1.817 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[NH2+]CCO3)n2)s1 ZINC000843218852 921282077 /nfs/dbraw/zinc/28/20/77/921282077.db2.gz GTDYOBVZNAFFJV-LURJTMIESA-N 1 0 282.281 1.367 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000070075833 917119999 /nfs/dbraw/zinc/11/99/99/917119999.db2.gz APGRIKIPUMGOPD-NXEZZACHSA-N 1 0 263.297 1.417 20 5 CDBDRO CCC1(Nc2ncc([N+](=O)[O-])cc2OC)C[NH2+]C1 ZINC001168576218 919248723 /nfs/dbraw/zinc/24/87/23/919248723.db2.gz WMYMLBUXZGIYQG-UHFFFAOYSA-N 1 0 252.274 1.162 20 5 CDBDRO C[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834909151 936710068 /nfs/dbraw/zinc/71/00/68/936710068.db2.gz OTAUSVSQXDJBJS-OTYXRUKQSA-N 1 0 292.339 1.496 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000701446567 922392872 /nfs/dbraw/zinc/39/28/72/922392872.db2.gz LQTHGJPPUURQSR-YVFTVSHDSA-N 1 0 263.297 1.332 20 5 CDBDRO CC[N+](C)(C)Cc1ccccc1N[C@@H]1CCS(=O)(=O)C1 ZINC001162499569 922705176 /nfs/dbraw/zinc/70/51/76/922705176.db2.gz JXJFEGYQIAPWPA-CQSZACIVSA-N 1 0 297.444 1.882 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1-n1cc2c(n1)CC[C@@H]([NH3+])C2 ZINC001168816687 927448421 /nfs/dbraw/zinc/44/84/21/927448421.db2.gz RYWIAARSRJLKDD-SECBINFHSA-N 1 0 289.295 1.000 20 5 CDBDRO Cc1cc(N(CC[NH3+])c2cccnc2)ncc1[N+](=O)[O-] ZINC001168834983 927481700 /nfs/dbraw/zinc/48/17/00/927481700.db2.gz VLOILPCCAFKLRC-UHFFFAOYSA-N 1 0 273.296 1.790 20 5 CDBDRO [NH3+][C@H]1CCN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1 ZINC001156228501 927507806 /nfs/dbraw/zinc/50/78/06/927507806.db2.gz GBTSJCDZKKRGID-LURJTMIESA-N 1 0 292.673 1.726 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2cn3ccccc3n2)C1 ZINC001168976704 927562886 /nfs/dbraw/zinc/56/28/86/927562886.db2.gz FNCBVSZNNRMEGI-CHWSQXEVSA-N 1 0 288.351 1.912 20 5 CDBDRO CO[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168977768 927562981 /nfs/dbraw/zinc/56/29/81/927562981.db2.gz LTSMWPDSGNHJQM-FDYHWXHSSA-N 1 0 256.346 1.979 20 5 CDBDRO [NH3+]Cc1ccc2nnn([C@H]3CC[C@@H](C[N+](=O)[O-])C3)c2c1 ZINC001168983371 927570551 /nfs/dbraw/zinc/57/05/51/927570551.db2.gz JTPMKUHKQXKJHV-MNOVXSKESA-N 1 0 275.312 1.508 20 5 CDBDRO [NH3+]Cc1ccc2nnn([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)c2c1 ZINC001168983369 927571556 /nfs/dbraw/zinc/57/15/56/927571556.db2.gz JTPMKUHKQXKJHV-GHMZBOCLSA-N 1 0 275.312 1.508 20 5 CDBDRO CCOC(=O)CCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168971955 927593591 /nfs/dbraw/zinc/59/35/91/927593591.db2.gz MAWBTHVLZMTTRK-GHMZBOCLSA-N 1 0 258.318 1.365 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc(CCO)c2)C1 ZINC001168996591 927603981 /nfs/dbraw/zinc/60/39/81/927603981.db2.gz WJEXPYSBKVAIGQ-GJZGRUSLSA-N 1 0 278.352 1.756 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccncc2)C1 ZINC001169001924 927605411 /nfs/dbraw/zinc/60/54/11/927605411.db2.gz IOPNOGHYOAQXSB-WXHSDQCUSA-N 1 0 265.313 1.150 20 5 CDBDRO COc1cnccc1CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169002735 927606626 /nfs/dbraw/zinc/60/66/26/927606626.db2.gz MBYLJDRBDDNPGR-WCQYABFASA-N 1 0 279.340 1.668 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2C[C@H](F)C[C@H](CO)C2)C1 ZINC001169006006 927607627 /nfs/dbraw/zinc/60/76/27/927607627.db2.gz FDNANJPNVGNLMU-KXNHARMFSA-N 1 0 260.309 1.084 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](O)[C@@H](F)CC2)C1 ZINC001169013003 927620790 /nfs/dbraw/zinc/62/07/90/927620790.db2.gz SWKWTBGUVXHPFX-RHYQMDGZSA-N 1 0 260.309 1.227 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c(OC)n1 ZINC001168987328 927622941 /nfs/dbraw/zinc/62/29/41/927622941.db2.gz IGTOSYWUIVGTGQ-ZYHUDNBSSA-N 1 0 295.339 1.634 20 5 CDBDRO CCCc1cc(C[NH3+])nn1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987903 927624800 /nfs/dbraw/zinc/62/48/00/927624800.db2.gz LEZMFTMBTNJZTG-GXFFZTMASA-N 1 0 266.345 1.912 20 5 CDBDRO CCN1CCC([N@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169034526 927640209 /nfs/dbraw/zinc/64/02/09/927640209.db2.gz HILGDYDOGMJRQV-JSGCOSHPSA-N 1 0 269.389 1.848 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)C1 ZINC001169035902 927644104 /nfs/dbraw/zinc/64/41/04/927644104.db2.gz DVAARPRTYWMEME-WISYIIOYSA-N 1 0 290.310 1.645 20 5 CDBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038264 927649507 /nfs/dbraw/zinc/64/95/07/927649507.db2.gz XNIKQPYHIRBSHC-WOPDTQHZSA-N 1 0 291.355 1.405 20 5 CDBDRO O=c1[nH]ccc2c1CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169047430 927665184 /nfs/dbraw/zinc/66/51/84/927665184.db2.gz QYNWVVXVAMLBKS-JQWIXIFHSA-N 1 0 277.324 1.591 20 5 CDBDRO CC(=O)N1CC[C@H]([N@H+](C(C)C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169047023 927665714 /nfs/dbraw/zinc/66/57/14/927665714.db2.gz PTUBYXZWCLNROI-KKUMJFAQSA-N 1 0 297.399 1.763 20 5 CDBDRO COC(=O)C[C@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169053885 927671746 /nfs/dbraw/zinc/67/17/46/927671746.db2.gz JXVKEKUJXAPIDC-UTUOFQBUSA-N 1 0 270.329 1.317 20 5 CDBDRO CCN1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169056307 927673150 /nfs/dbraw/zinc/67/31/50/927673150.db2.gz RMRREIQJSBPDFQ-CYDGBPFRSA-N 1 0 253.346 1.210 20 5 CDBDRO CCOC(=O)NC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169057607 927675077 /nfs/dbraw/zinc/67/50/77/927675077.db2.gz WDLPZLJMJFPTSP-YPMHNXCESA-N 1 0 299.371 1.642 20 5 CDBDRO COC[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776583125 927748172 /nfs/dbraw/zinc/74/81/72/927748172.db2.gz XCBPVRKSEDJGJA-WFASDCNBSA-N 1 0 294.351 1.987 20 5 CDBDRO [NH3+]Cc1cnnn1-c1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC001169312084 927918709 /nfs/dbraw/zinc/91/87/09/927918709.db2.gz LOVUPVFXSFPNDN-ONEGZZNKSA-N 1 0 279.687 1.627 20 5 CDBDRO [NH3+]Cc1cnnn1-c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001169309326 927946481 /nfs/dbraw/zinc/94/64/81/927946481.db2.gz ARXQBNSSMVRYCZ-UHFFFAOYSA-N 1 0 287.201 1.653 20 5 CDBDRO C[C@H](Nc1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000695904509 937270288 /nfs/dbraw/zinc/27/02/88/937270288.db2.gz KJTPAMBUNRLHGD-FZMZJTMJSA-N 1 0 278.356 1.641 20 5 CDBDRO COc1cc([N+](=O)[O-])c(NC[C@@H]2COCC[NH2+]2)cc1F ZINC001170042256 929123696 /nfs/dbraw/zinc/12/36/96/929123696.db2.gz BSIFOMVESRLSEW-MRVPVSSYSA-N 1 0 285.275 1.143 20 5 CDBDRO CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCC[N@@H+]1C ZINC000817290468 930474300 /nfs/dbraw/zinc/47/43/00/930474300.db2.gz DAXOIYGRYNBXPO-CABCVRRESA-N 1 0 293.367 1.654 20 5 CDBDRO C[N@H+](CCO)CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000884823234 930637433 /nfs/dbraw/zinc/63/74/33/930637433.db2.gz PEIVBDAPBIQYHM-UHFFFAOYSA-N 1 0 273.720 1.584 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N1CC[C@H](C[NH+](C)C)C1 ZINC001117703747 937544463 /nfs/dbraw/zinc/54/44/63/937544463.db2.gz BNWYARZERTUMNY-LLVKDONJSA-N 1 0 264.329 1.686 20 5 CDBDRO COc1cc(N[C@@H](C[NH3+])C(C)(C)C)ncc1[N+](=O)[O-] ZINC001160913592 932221172 /nfs/dbraw/zinc/22/11/72/932221172.db2.gz TVQFBVAVIZAARP-JTQLQIEISA-N 1 0 268.317 1.784 20 5 CDBDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000932638030 933738937 /nfs/dbraw/zinc/73/89/37/933738937.db2.gz DPVNDRGFFMWBKF-GFCCVEGCSA-N 1 0 278.308 1.980 20 5 CDBDRO CO[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246315111 934817809 /nfs/dbraw/zinc/81/78/09/934817809.db2.gz RBJQKTOAGXSDFC-ZIAGYGMSSA-N 1 0 280.324 1.739 20 5 CDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccoc1 ZINC001123500979 936171921 /nfs/dbraw/zinc/17/19/21/936171921.db2.gz CVEAVCFVDKDKGW-UHFFFAOYSA-N 1 0 289.291 1.707 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NC[C@H]1CCCC[N@H+]1C ZINC001120972066 937851039 /nfs/dbraw/zinc/85/10/39/937851039.db2.gz LNZAKXYGICVLNO-LLVKDONJSA-N 1 0 264.329 1.616 20 5 CDBDRO C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001122252328 937915521 /nfs/dbraw/zinc/91/55/21/937915521.db2.gz PDSJWLAFGOHVFS-VHSXEESVSA-N 1 0 277.324 1.913 20 5 CDBDRO CN1CCC(CNc2cc([N+](=O)[O-])ccn2)([NH+](C)C)CC1 ZINC001156177074 938329153 /nfs/dbraw/zinc/32/91/53/938329153.db2.gz ZMUYLFWTABAFTK-UHFFFAOYSA-N 1 0 293.371 1.428 20 5 CDBDRO C[NH+](C)C[C@@]12C[C@@H]1CN(c1cc([N+](=O)[O-])ccn1)C2 ZINC001156376746 938360331 /nfs/dbraw/zinc/36/03/31/938360331.db2.gz SXUSIJXQWHXZSD-ZWNOBZJWSA-N 1 0 262.313 1.378 20 5 CDBDRO C[N@@H+]1CCC[C@H](CCNc2cc([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001156381455 938360849 /nfs/dbraw/zinc/36/08/49/938360849.db2.gz REXWCEVSNNSQMG-LLVKDONJSA-N 1 0 280.328 1.372 20 5 CDBDRO COc1nc(N(C)[C@]2(C)CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001156956945 938438941 /nfs/dbraw/zinc/43/89/41/938438941.db2.gz SRBHPFQIXUYFHZ-CYBMUJFWSA-N 1 0 280.328 1.577 20 5 CDBDRO O=[N+]([O-])c1ccc2ccc(N3C[C@@H]4C[NH2+][C@@H]4C3)nc2c1 ZINC001157619784 938521209 /nfs/dbraw/zinc/52/12/09/938521209.db2.gz LXCPXZGINBJLID-GXFFZTMASA-N 1 0 270.292 1.551 20 5 CDBDRO [NH3+]C[C@]1(F)CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001157817803 938551341 /nfs/dbraw/zinc/55/13/41/938551341.db2.gz ZBQNZTYYNLJIKD-CYBMUJFWSA-N 1 0 291.286 1.415 20 5 CDBDRO [NH3+]CCc1cnn(-c2ncnc3ccc([N+](=O)[O-])cc32)c1 ZINC001158099832 938583076 /nfs/dbraw/zinc/58/30/76/938583076.db2.gz YBZDMMULOVTZHX-UHFFFAOYSA-N 1 0 284.279 1.225 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1nccc2cc([N+](=O)[O-])ccc21 ZINC001158132326 938586823 /nfs/dbraw/zinc/58/68/23/938586823.db2.gz KZVWEKANCBJBMH-UHFFFAOYSA-N 1 0 298.306 1.533 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC[N@@H+]3CC[C@H]3C2)c1 ZINC001158424215 938622060 /nfs/dbraw/zinc/62/20/60/938622060.db2.gz CPPSCTRFSSJLEK-QMMMGPOBSA-N 1 0 268.704 1.538 20 5 CDBDRO [NH3+]Cc1cnnn1-c1nccc2cc([N+](=O)[O-])ccc21 ZINC001158426849 938623262 /nfs/dbraw/zinc/62/32/62/938623262.db2.gz HJRUDIMTAZPBNQ-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO C[C@]1(C[NH3+])CCCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC001158676174 938649454 /nfs/dbraw/zinc/64/94/54/938649454.db2.gz XNFZBGCVWWFCKE-GFCCVEGCSA-N 1 0 268.292 1.694 20 5 CDBDRO CCOc1nc(N2CCC[C@@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC001158679203 938649814 /nfs/dbraw/zinc/64/98/14/938649814.db2.gz SABHSTIAWMJIJG-AWEZNQCLSA-N 1 0 294.355 1.954 20 5 CDBDRO COc1cnc(NC[C@@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001160147864 938771349 /nfs/dbraw/zinc/77/13/49/938771349.db2.gz LGCKMWOZOBVAJX-VIFPVBQESA-N 1 0 266.301 1.552 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)CN2CC[NH2+]CC2)n1 ZINC001162097522 938955713 /nfs/dbraw/zinc/95/57/13/938955713.db2.gz RUGXNCXNQJJUSK-NSHDSACASA-N 1 0 279.344 1.004 20 5 CDBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1cnc([N+](=O)[O-])cn1 ZINC001162467096 939062114 /nfs/dbraw/zinc/06/21/14/939062114.db2.gz PFZIIYTZEAQPAA-UWVGGRQHSA-N 1 0 265.317 1.432 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162477069 939064648 /nfs/dbraw/zinc/06/46/48/939064648.db2.gz CUOBKHGTNJEHRW-YUMQZZPRSA-N 1 0 270.264 1.110 20 5 CDBDRO O=[N+]([O-])c1cnc2ccc(NC[C@@H]3C[C@H](F)C[NH2+]3)cn21 ZINC001162478331 939065157 /nfs/dbraw/zinc/06/51/57/939065157.db2.gz YPFKQKVQHNVQHT-WPRPVWTQSA-N 1 0 279.275 1.354 20 5 CDBDRO C[C@@H]1C[C@@H](CNc2cc3c(c([N+](=O)[O-])c2)NN(C)C3)C[NH2+]1 ZINC001162562658 939088138 /nfs/dbraw/zinc/08/81/38/939088138.db2.gz KWHPRFVTHYEWCX-NXEZZACHSA-N 1 0 291.355 1.777 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC001162666339 939110530 /nfs/dbraw/zinc/11/05/30/939110530.db2.gz BUGOQJBEVOMNGM-PHDIDXHHSA-N 1 0 257.681 1.201 20 5 CDBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1cnc([N+](=O)[O-])cn1 ZINC001162776905 939136645 /nfs/dbraw/zinc/13/66/45/939136645.db2.gz GCQOGJLVAOABTC-MRVPVSSYSA-N 1 0 284.279 1.743 20 5 CDBDRO COc1cnc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC001162792789 939141354 /nfs/dbraw/zinc/14/13/54/939141354.db2.gz IBQMPUXKHXNGFX-INTQDDNPSA-N 1 0 276.296 1.184 20 5 CDBDRO Cc1ccc2c(ccnc2N[C@@H]2COC[C@@H]2[NH3+])c1[N+](=O)[O-] ZINC001162916601 939160825 /nfs/dbraw/zinc/16/08/25/939160825.db2.gz AUCWVNJXCVSDNA-NWDGAFQWSA-N 1 0 288.307 1.589 20 5 CDBDRO C[C@H]1CCC[C@H](C)N1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001163550037 939284704 /nfs/dbraw/zinc/28/47/04/939284704.db2.gz LBRPJLHSQHWIJZ-UWVGGRQHSA-N 1 0 291.355 1.839 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N(C)CCC[NH+](C)C)n1 ZINC001163595264 939291096 /nfs/dbraw/zinc/29/10/96/939291096.db2.gz IRMPTYRCQZQGSV-UHFFFAOYSA-N 1 0 287.751 1.735 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N(C)CCC[NH+](C)C)n1 ZINC001163595490 939291633 /nfs/dbraw/zinc/29/16/33/939291633.db2.gz GUUFAFHQAHDRAK-UHFFFAOYSA-N 1 0 283.332 1.090 20 5 CDBDRO CC(=O)Nc1ccc(N[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC001163782243 939330623 /nfs/dbraw/zinc/33/06/23/939330623.db2.gz DOTYURHBNWTFRL-VIFPVBQESA-N 1 0 280.328 1.915 20 5 CDBDRO COc1cnc(N2CCC[C@](C)(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001164248627 939441067 /nfs/dbraw/zinc/44/10/67/939441067.db2.gz WNVMYWYQONCOFM-AWEZNQCLSA-N 1 0 294.355 1.954 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H](C[NH3+])CC[C@H]2C)n1 ZINC001164467731 939476355 /nfs/dbraw/zinc/47/63/55/939476355.db2.gz LXDHSMIVOPBAIR-SCZZXKLOSA-N 1 0 295.343 1.265 20 5 CDBDRO C[NH+]1C[C@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C[C@@H]2C1 ZINC001165149981 939519021 /nfs/dbraw/zinc/51/90/21/939519021.db2.gz LVBGUCWXWYMBBE-UWVGGRQHSA-N 1 0 287.323 1.469 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC23CCCC3)nc1C1C[NH2+]C1 ZINC001165281252 939539995 /nfs/dbraw/zinc/53/99/95/939539995.db2.gz NXHHSDHNSJUXTC-UHFFFAOYSA-N 1 0 289.339 1.595 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(N(C)C2C[NH2+]C2)nc1Cl ZINC001166978185 939666100 /nfs/dbraw/zinc/66/61/00/939666100.db2.gz NFWUDPPGJCAKSM-UHFFFAOYSA-N 1 0 256.693 1.360 20 5 CDBDRO CN(c1cc2ncnc(Cl)c2cc1[N+](=O)[O-])C1C[NH2+]C1 ZINC001166978199 939666239 /nfs/dbraw/zinc/66/62/39/939666239.db2.gz NXRWZXFCAHEAJE-UHFFFAOYSA-N 1 0 293.714 1.599 20 5 CDBDRO Cc1cnc(N[C@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC000090691977 940688844 /nfs/dbraw/zinc/68/88/44/940688844.db2.gz XQSSXHFYKFOHNL-NSHDSACASA-N 1 0 262.313 1.804 20 5 CDBDRO Cc1cnc(N2C[C@H](C[NH3+])CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000090692655 940688906 /nfs/dbraw/zinc/68/89/06/940688906.db2.gz PPPAEOYQQFJYFR-QWRGUYRKSA-N 1 0 264.329 1.862 20 5 CDBDRO C[C@]1([NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000405837310 940998102 /nfs/dbraw/zinc/99/81/02/940998102.db2.gz WBYBFFNUKOPXOF-JTQLQIEISA-N 1 0 255.299 1.220 20 5 CDBDRO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@H]2CC[NH2+]C2)c1 ZINC001218184016 941043124 /nfs/dbraw/zinc/04/31/24/941043124.db2.gz YGMGEBXYSNQFBM-NSHDSACASA-N 1 0 294.307 1.441 20 5 CDBDRO COC(=O)c1ccc(O[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218281514 941050622 /nfs/dbraw/zinc/05/06/22/941050622.db2.gz FNQDMOVLVIRZHG-JTQLQIEISA-N 1 0 280.280 1.512 20 5 CDBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1ccc(N)c([N+](=O)[O-])c1 ZINC001218317058 941053490 /nfs/dbraw/zinc/05/34/90/941053490.db2.gz KRUFKBCVFSFPMV-LBPRGKRZSA-N 1 0 265.313 1.944 20 5 CDBDRO Cc1cc(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc([N+](=O)[O-])c1 ZINC001524230797 970825825 /nfs/dbraw/zinc/82/58/25/970825825.db2.gz FJBBZKZALWOEDS-FXAINCCUSA-N 1 0 261.281 1.592 20 5 CDBDRO COC(=O)c1ccc(CO[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001223409511 941675386 /nfs/dbraw/zinc/67/53/86/941675386.db2.gz CRDFJQCKYFZOJT-GFCCVEGCSA-N 1 0 294.307 1.602 20 5 CDBDRO C[N@@H+]1CC[C@@H](OCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224327887 941743806 /nfs/dbraw/zinc/74/38/06/941743806.db2.gz JATWCHIBCMXZIY-CYBMUJFWSA-N 1 0 250.298 1.858 20 5 CDBDRO Cc1ccccc1CCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224869113 941800693 /nfs/dbraw/zinc/80/06/93/941800693.db2.gz CYVNKHLATSZVDW-OAHLLOKOSA-N 1 0 280.388 1.538 20 5 CDBDRO C[N@@H+]1CC[C@@H](OCC(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224987600 941811583 /nfs/dbraw/zinc/81/15/83/941811583.db2.gz SJSGGPGDYGMYHP-CYBMUJFWSA-N 1 0 294.307 1.359 20 5 CDBDRO COc1cc(C)ccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225262504 941835592 /nfs/dbraw/zinc/83/55/92/941835592.db2.gz JGHRTOYFBPDILR-GFCCVEGCSA-N 1 0 282.360 1.366 20 5 CDBDRO COc1cc(O[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC001225436237 941858295 /nfs/dbraw/zinc/85/82/95/941858295.db2.gz PWBQOIRKCJTXNL-SECBINFHSA-N 1 0 254.286 1.932 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](Oc2ncccc2[N+](=O)[O-])C1 ZINC001225594071 941886480 /nfs/dbraw/zinc/88/64/80/941886480.db2.gz APISZDXHXBAVBU-SNVBAGLBSA-N 1 0 251.286 1.853 20 5 CDBDRO CCOC(=O)c1c(O)cc(C)nc1O[C@H](C)C[N+](C)(C)C ZINC001226023508 941942699 /nfs/dbraw/zinc/94/26/99/941942699.db2.gz PIXICFVEPFOPIA-LLVKDONJSA-O 1 0 297.375 1.746 20 5 CDBDRO COc1cc(O[C@H]2CC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC001226576605 942029307 /nfs/dbraw/zinc/02/93/07/942029307.db2.gz SJOGMPRNBGYAKY-QMMMGPOBSA-N 1 0 253.258 1.081 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](Oc2ncc([N+](=O)[O-])cn2)C1 ZINC001226733078 942060018 /nfs/dbraw/zinc/06/00/18/942060018.db2.gz GTUMFXNNMMYTER-SNVBAGLBSA-N 1 0 252.274 1.248 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001226997109 942110572 /nfs/dbraw/zinc/11/05/72/942110572.db2.gz UZLXUYWFNPQTHD-GFCCVEGCSA-N 1 0 297.331 1.266 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1C(=O)N(C)C ZINC001228341221 942301914 /nfs/dbraw/zinc/30/19/14/942301914.db2.gz CBZPJIIYWDPXEK-LBPRGKRZSA-N 1 0 265.377 1.862 20 5 CDBDRO Cc1[nH]c(=O)cc(O[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001228686183 942357561 /nfs/dbraw/zinc/35/75/61/942357561.db2.gz MFBZATSNGJJMHU-SNVBAGLBSA-N 1 0 281.312 1.865 20 5 CDBDRO COC(=O)c1c(OC2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC001229045465 942411497 /nfs/dbraw/zinc/41/14/97/942411497.db2.gz NLFFHGFSMGTMQL-UHFFFAOYSA-N 1 0 294.307 1.854 20 5 CDBDRO CC(=O)Nc1ccc(O)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001229721011 942517838 /nfs/dbraw/zinc/51/78/38/942517838.db2.gz SBOLFFIVWPEZRJ-SNVBAGLBSA-O 1 0 267.349 1.824 20 5 CDBDRO COC(=O)Cc1ccc(O)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001229797932 942532755 /nfs/dbraw/zinc/53/27/55/942532755.db2.gz BMNKAULNWKTCFQ-NSHDSACASA-O 1 0 282.360 1.581 20 5 CDBDRO C[C@H](C[NH+](C)C)Oc1nc2c[nH]cc([N+](=O)[O-])c-2n1 ZINC001230230077 942592313 /nfs/dbraw/zinc/59/23/13/942592313.db2.gz KBBMJSLVKFQXAX-SSDOTTSWSA-N 1 0 265.273 1.195 20 5 CDBDRO COC(=O)[C@H]1Cc2ccc(O[C@@H](C)C[N+](C)(C)C)cc2O1 ZINC001231001662 942755402 /nfs/dbraw/zinc/75/54/02/942755402.db2.gz NKXOEHRPEZZMQB-XHDPSFHLSA-N 1 0 294.371 1.637 20 5 CDBDRO COc1cccc2c1nc(=O)[nH]c2O[C@H](C)C[N+](C)(C)C ZINC001231347504 942862097 /nfs/dbraw/zinc/86/20/97/942862097.db2.gz MWSYEYRIGAWAHD-SNVBAGLBSA-O 1 0 292.359 1.818 20 5 CDBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1(CO)CC1 ZINC001262577669 946729631 /nfs/dbraw/zinc/72/96/31/946729631.db2.gz VKLQCHQHLGWPRZ-GWCFXTLKSA-N 1 0 280.324 1.379 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)C2 ZINC001254569858 947529499 /nfs/dbraw/zinc/52/94/99/947529499.db2.gz ZNVKIOZXQXWLJS-WDBKCZKBSA-N 1 0 276.336 1.813 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[N@@H+]2CC[C@H]2C1 ZINC001254568501 947530153 /nfs/dbraw/zinc/53/01/53/947530153.db2.gz GJLARHLDAYNHSZ-JSGCOSHPSA-N 1 0 275.352 1.916 20 5 CDBDRO CC(C)N1CC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254574769 947532962 /nfs/dbraw/zinc/53/29/62/947532962.db2.gz KXLMUFFMIXCFHN-CYBMUJFWSA-N 1 0 275.352 1.744 20 5 CDBDRO O=c1[nH]cccc1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254577195 947534921 /nfs/dbraw/zinc/53/49/21/947534921.db2.gz CSYOPMDTEBJNTD-ZDUSSCGKSA-N 1 0 285.303 1.952 20 5 CDBDRO CC(C)[C@@](C)([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254581023 947537635 /nfs/dbraw/zinc/53/76/35/947537635.db2.gz IENJSHDXSYEWJY-IUODEOHRSA-N 1 0 291.351 1.552 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1(CO)CCC1)C2 ZINC001254582400 947540661 /nfs/dbraw/zinc/54/06/61/947540661.db2.gz TUTRSLXVNXYIDV-LBPRGKRZSA-N 1 0 262.309 1.567 20 5 CDBDRO COc1ccc(C[C@@H](C)N[C@H]2CC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001246447283 948178997 /nfs/dbraw/zinc/17/89/97/948178997.db2.gz VLEZAJJCMAXUQB-YGRLFVJLSA-N 1 0 291.351 1.486 20 5 CDBDRO C[C@H]1CC[C@@H](C[NH3+])N1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246537266 948240122 /nfs/dbraw/zinc/24/01/22/948240122.db2.gz HJBMSJRZDJRGOJ-LKTVYLICSA-N 1 0 275.352 1.874 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246564714 948281427 /nfs/dbraw/zinc/28/14/27/948281427.db2.gz YJLSKNFSHUDYHE-NTZNESFSSA-N 1 0 263.341 1.805 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246655350 948390349 /nfs/dbraw/zinc/39/03/49/948390349.db2.gz KZXCBZKTCHHUOC-OSAQELSMSA-N 1 0 275.352 1.949 20 5 CDBDRO [NH3+]CCCc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247429253 948629414 /nfs/dbraw/zinc/62/94/14/948629414.db2.gz YHNFPWHQROUHKB-UHFFFAOYSA-N 1 0 267.220 1.070 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001248323322 949020898 /nfs/dbraw/zinc/02/08/98/949020898.db2.gz HGXMNLODYFCCMY-NKWVEPMBSA-N 1 0 279.231 1.384 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC001330577412 956490322 /nfs/dbraw/zinc/49/03/22/956490322.db2.gz GOQNJLZLBONADS-JTQLQIEISA-N 1 0 279.340 1.939 20 5 CDBDRO O=c1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc[nH]1 ZINC001308246877 956499913 /nfs/dbraw/zinc/49/99/13/956499913.db2.gz IGFKRDCUIBCRHA-UHFFFAOYSA-N 1 0 289.291 1.864 20 5 CDBDRO COc1ccc(C[NH2+]C2CC(CC(N)=O)C2)cc1[N+](=O)[O-] ZINC001308518916 956536661 /nfs/dbraw/zinc/53/66/61/956536661.db2.gz YSKLPYWYFIQJDO-UHFFFAOYSA-N 1 0 293.323 1.347 20 5 CDBDRO C[N@H+](CC[N+](=O)[O-])[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC001332920906 957943348 /nfs/dbraw/zinc/94/33/48/957943348.db2.gz CQUPQFSHUXRWRM-NSHDSACASA-N 1 0 287.360 1.498 20 5 CDBDRO C[N@H+](CCNc1ccc2nonc2c1[N+](=O)[O-])C1CC1 ZINC001333641774 958472467 /nfs/dbraw/zinc/47/24/67/958472467.db2.gz UNBUBGMDJLUFKR-UHFFFAOYSA-N 1 0 277.284 1.637 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](CNc2c(C)cncc2[N+](=O)[O-])C1 ZINC001333671613 958498169 /nfs/dbraw/zinc/49/81/69/958498169.db2.gz MBHQLJRRMHDOGS-LBPRGKRZSA-N 1 0 278.356 1.864 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001336684457 960464094 /nfs/dbraw/zinc/46/40/94/960464094.db2.gz JHIZGMFOCQNGIM-NXEZZACHSA-N 1 0 265.317 1.367 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(c2cc(N)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC001337093126 960930291 /nfs/dbraw/zinc/93/02/91/960930291.db2.gz XSOVIFUDFJKLQC-UWVGGRQHSA-N 1 0 279.344 1.491 20 5 CDBDRO C[C@@H](NC(=O)[C@H]([NH3+])CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001340989879 963225273 /nfs/dbraw/zinc/22/52/73/963225273.db2.gz HQHNJSBIMFKTCE-GMSGAONNSA-N 1 0 287.266 1.755 20 5 CDBDRO C[C@H](NC(=O)C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC001340995116 963225933 /nfs/dbraw/zinc/22/59/33/963225933.db2.gz MDEFKUDZUCDNNQ-JTQLQIEISA-N 1 0 277.324 1.772 20 5 CDBDRO [NH3+]CC[C@@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC001341120603 963285364 /nfs/dbraw/zinc/28/53/64/963285364.db2.gz BUGATPWDJSDPIM-VUUYWXRKSA-N 1 0 289.335 1.805 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341878308 963570087 /nfs/dbraw/zinc/57/00/87/963570087.db2.gz MYSDKMBCXQFOCR-OLZOCXBDSA-N 1 0 291.351 1.942 20 5 CDBDRO C[C@@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001342594176 963773127 /nfs/dbraw/zinc/77/31/27/963773127.db2.gz ZWEPHQWLDZINGI-NRUUGDAUSA-N 1 0 277.324 1.770 20 5 CDBDRO C[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001343460059 963992143 /nfs/dbraw/zinc/99/21/43/963992143.db2.gz VOUBZINLCNKPRP-BPNCWPANSA-N 1 0 289.335 1.519 20 5 CDBDRO CN(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001346314364 965042024 /nfs/dbraw/zinc/04/20/24/965042024.db2.gz YUXUYXQDAAYTJO-RBSFLKMASA-N 1 0 293.367 1.701 20 5 CDBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001348898842 966224302 /nfs/dbraw/zinc/22/43/02/966224302.db2.gz JIYUDFIVFOTQBI-SNVBAGLBSA-N 1 0 282.344 1.773 20 5 CDBDRO O=[N+]([O-])CC[NH+]1CCC(CCCn2ccnc2)CC1 ZINC001354591262 968787386 /nfs/dbraw/zinc/78/73/86/968787386.db2.gz OQWPOOCGBWKYEF-UHFFFAOYSA-N 1 0 266.345 1.652 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000089091524 1173978997 /nfs/dbraw/zinc/97/89/97/1173978997.db2.gz AVQCJQVNADHARK-JOYOIKCWSA-N 1 0 278.312 1.844 20 5 CDBDRO C[NH2+]CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC001573895818 1170822747 /nfs/dbraw/zinc/82/27/47/1170822747.db2.gz AHUCTBYSEYPYCM-UHFFFAOYSA-N 1 0 275.667 1.223 20 5 CDBDRO CC(C)(CCC(=O)NCc1cc(N)cc[nH+]1)[N+](=O)[O-] ZINC001575299087 1171146971 /nfs/dbraw/zinc/14/69/71/1171146971.db2.gz XNNRYHMWAFFGMC-UHFFFAOYSA-N 1 0 266.301 1.116 20 5 CDBDRO [NH3+]CC[C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000070171304 1171646649 /nfs/dbraw/zinc/64/66/49/1171646649.db2.gz IZRANDINAAYLRN-SNVBAGLBSA-N 1 0 250.302 1.555 20 5 CDBDRO C[NH+](C)C[C@H](CO)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000589101755 342496867 /nfs/dbraw/zinc/49/68/67/342496867.db2.gz JRIJMMMCEDYCCQ-SNVBAGLBSA-N 1 0 290.323 1.477 20 5 CDBDRO C[N@@H+]1CCC[C@@]2(CCN(c3cccnc3[N+](=O)[O-])C2)C1 ZINC000590141932 342522753 /nfs/dbraw/zinc/52/27/53/342522753.db2.gz OMACGFGIVOTKAB-CQSZACIVSA-N 1 0 276.340 1.912 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000320796525 341994818 /nfs/dbraw/zinc/99/48/18/341994818.db2.gz GPKADMSRHUOJKA-BQBZGAKWSA-N 1 0 257.315 1.512 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1COC[C@H]1O)CCC2 ZINC000601291570 342549711 /nfs/dbraw/zinc/54/97/11/342549711.db2.gz MFJBVJMFOCPDDV-HZSPNIEDSA-N 1 0 278.308 1.322 20 5 CDBDRO C[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000300576892 342557206 /nfs/dbraw/zinc/55/72/06/342557206.db2.gz QIZAXAVTZOMEIR-BZPMIXESSA-N 1 0 296.371 1.711 20 5 CDBDRO CC(C)[NH2+][C@H]1CCCN(c2cccnc2[N+](=O)[O-])C1 ZINC000608778935 342037101 /nfs/dbraw/zinc/03/71/01/342037101.db2.gz LZTZYHHDGCNEFB-NSHDSACASA-N 1 0 264.329 1.957 20 5 CDBDRO CCC(=O)N1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000590595035 342579269 /nfs/dbraw/zinc/57/92/69/342579269.db2.gz WTCCFJRIMWXKSD-ZDUSSCGKSA-N 1 0 291.351 1.738 20 5 CDBDRO C[NH+](C)CC(C)(C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000457197973 365634235 /nfs/dbraw/zinc/63/42/35/365634235.db2.gz AUVALLZLVAMHSK-UHFFFAOYSA-N 1 0 271.342 1.726 20 5 CDBDRO O=[N+]([O-])c1ncccc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000609132450 342091406 /nfs/dbraw/zinc/09/14/06/342091406.db2.gz YLOABBUCHSVCMW-DGCLKSJQSA-N 1 0 292.339 1.025 20 5 CDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccsc1[N+](=O)[O-] ZINC000609289045 342100433 /nfs/dbraw/zinc/10/04/33/342100433.db2.gz OXSZUFOMRRXLLA-SNVBAGLBSA-N 1 0 284.385 1.704 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1N1CC[C@H]3CC[NH2+][C@@H]3C1)CCN2 ZINC000591436917 342631794 /nfs/dbraw/zinc/63/17/94/342631794.db2.gz COSGHAIFIFLIIP-ZWNOBZJWSA-N 1 0 288.351 1.751 20 5 CDBDRO C[C@@H](NC[C@@H]1C[C@H](F)C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000591581767 342637939 /nfs/dbraw/zinc/63/79/39/342637939.db2.gz RFQDEZWRLVZKKZ-USWWRNFRSA-N 1 0 267.304 1.945 20 5 CDBDRO COc1cc(N2CC[C@@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])cc1F ZINC000591438101 342632049 /nfs/dbraw/zinc/63/20/49/342632049.db2.gz KYAWKTNFNIJDDZ-ONGXEEELSA-N 1 0 295.314 1.931 20 5 CDBDRO CNc1ccc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000592319740 342684641 /nfs/dbraw/zinc/68/46/41/342684641.db2.gz USBTZYXHKIXHMR-MWLCHTKSSA-N 1 0 292.339 1.446 20 5 CDBDRO CNc1ccc(C(=O)N2CCC(C)([NH3+])CC2)cc1[N+](=O)[O-] ZINC000592331532 342685526 /nfs/dbraw/zinc/68/55/26/342685526.db2.gz UHVHZKZJOHYBIG-UHFFFAOYSA-N 1 0 292.339 1.590 20 5 CDBDRO CC[C@@H](O)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592429355 342695062 /nfs/dbraw/zinc/69/50/62/342695062.db2.gz FGALEMRUUCLRMZ-SNVBAGLBSA-N 1 0 281.312 1.284 20 5 CDBDRO CC1([NH3+])CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000592485054 342695703 /nfs/dbraw/zinc/69/57/03/342695703.db2.gz PJSCLZWMMMYBSQ-UHFFFAOYSA-N 1 0 292.339 1.007 20 5 CDBDRO CC1([NH3+])CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000592485247 342695744 /nfs/dbraw/zinc/69/57/44/342695744.db2.gz TWEQDHJNSWGAIX-UHFFFAOYSA-N 1 0 292.339 1.347 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000592486499 342695891 /nfs/dbraw/zinc/69/58/91/342695891.db2.gz HHHBGHRCTCYPSS-JSGCOSHPSA-N 1 0 281.331 1.769 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000311641892 342155125 /nfs/dbraw/zinc/15/51/25/342155125.db2.gz LBFAWAZAFQPCSZ-VIFPVBQESA-N 1 0 267.333 1.713 20 5 CDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)COCC[NH3+] ZINC000592501115 342705786 /nfs/dbraw/zinc/70/57/86/342705786.db2.gz GLWMJALFKQOKSB-UHFFFAOYSA-N 1 0 295.339 1.307 20 5 CDBDRO C[C@H](CCO)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000593109219 342769302 /nfs/dbraw/zinc/76/93/02/342769302.db2.gz XDQLDBMHIZWCMG-SECBINFHSA-N 1 0 278.312 1.674 20 5 CDBDRO C[NH+](C)CC(C)(C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593171249 342775196 /nfs/dbraw/zinc/77/51/96/342775196.db2.gz YVDDYMJTLPXQCP-UHFFFAOYSA-N 1 0 297.330 1.733 20 5 CDBDRO O=[N+]([O-])c1cncc(Cl)c1N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000600887104 342253374 /nfs/dbraw/zinc/25/33/74/342253374.db2.gz PGLCIXBFRQHJKK-OCAPTIKFSA-N 1 0 268.704 1.584 20 5 CDBDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000494255607 539113990 /nfs/dbraw/zinc/11/39/90/539113990.db2.gz BVTFMFGHLLNKJR-YMTOWFKASA-N 1 0 293.323 1.351 20 5 CDBDRO C[C@]1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000125644337 187194257 /nfs/dbraw/zinc/19/42/57/187194257.db2.gz IEXQJZMADLZFHE-HNNXBMFYSA-N 1 0 291.351 1.643 20 5 CDBDRO Cc1ccncc1[C@@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000611940334 346910926 /nfs/dbraw/zinc/91/09/26/346910926.db2.gz XTXHVRPXSHOAEP-LLVKDONJSA-N 1 0 275.312 1.846 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](C)CO ZINC000595020284 342995897 /nfs/dbraw/zinc/99/58/97/342995897.db2.gz YIBQWPJNMCWDEJ-VHSXEESVSA-N 1 0 268.313 1.882 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](O)C[NH+](C)C ZINC000595019572 342995951 /nfs/dbraw/zinc/99/59/51/342995951.db2.gz RJUUKHFFNICSER-JQWIXIFHSA-N 1 0 297.355 1.177 20 5 CDBDRO COC[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)OC ZINC000595035678 342997362 /nfs/dbraw/zinc/99/73/62/342997362.db2.gz ZSUOBTATZBPPMD-JQWIXIFHSA-N 1 0 298.339 1.915 20 5 CDBDRO Cc1cc(NC[C@H](C)CN2CCOCC2)ncc1[N+](=O)[O-] ZINC000074765007 342304048 /nfs/dbraw/zinc/30/40/48/342304048.db2.gz YDCNSKMOIJJBCC-NSHDSACASA-N 1 0 294.355 1.678 20 5 CDBDRO CC(C)[NH+](CCCNc1ncc([N+](=O)[O-])c(N)n1)C(C)C ZINC000074773117 342305837 /nfs/dbraw/zinc/30/58/37/342305837.db2.gz DPCHMDPJTWYIDG-UHFFFAOYSA-N 1 0 296.375 1.888 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000126074815 187215302 /nfs/dbraw/zinc/21/53/02/187215302.db2.gz RQNCPBXJPYYTSS-SKDRFNHKSA-N 1 0 263.297 1.921 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000108335998 349735404 /nfs/dbraw/zinc/73/54/04/349735404.db2.gz BFBATIVMMKVGBS-NSHDSACASA-N 1 0 277.324 1.666 20 5 CDBDRO [NH3+][C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000404533888 349774764 /nfs/dbraw/zinc/77/47/64/349774764.db2.gz YPTUREBSNWYSPI-VXGBXAGGSA-N 1 0 290.323 1.986 20 5 CDBDRO O=C1CCCN1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000405388698 349787941 /nfs/dbraw/zinc/78/79/41/349787941.db2.gz HYATWWQPUKYXDI-UHFFFAOYSA-N 1 0 263.297 1.307 20 5 CDBDRO Cc1noc(C[N@@H+](C)C2CCC(CO)CC2)c1[N+](=O)[O-] ZINC000595386952 343052718 /nfs/dbraw/zinc/05/27/18/343052718.db2.gz FBTMLAOAEZRDRN-UHFFFAOYSA-N 1 0 283.328 1.874 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000076268860 342320348 /nfs/dbraw/zinc/32/03/48/342320348.db2.gz BVDJABARXGAMPM-VIFPVBQESA-N 1 0 280.332 1.111 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000076836025 342323834 /nfs/dbraw/zinc/32/38/34/342323834.db2.gz RBWWMFAFUHSDES-LLVKDONJSA-N 1 0 279.344 1.393 20 5 CDBDRO Cc1nn(C)c(N(C)CC[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000078455962 342337269 /nfs/dbraw/zinc/33/72/69/342337269.db2.gz ZRXWHTYTKOBNRZ-LBPRGKRZSA-N 1 0 295.387 1.947 20 5 CDBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000595765596 343145105 /nfs/dbraw/zinc/14/51/05/343145105.db2.gz LVKQLDJWPWDNAX-GFCCVEGCSA-N 1 0 265.313 1.535 20 5 CDBDRO [NH3+][C@H]1C[C@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595934176 343185461 /nfs/dbraw/zinc/18/54/61/343185461.db2.gz KSELRSCSPIAWKA-KYZUINATSA-N 1 0 261.281 1.221 20 5 CDBDRO O=c1[nH]ccc(NCC[NH+]2CCSCC2)c1[N+](=O)[O-] ZINC000596120936 343248239 /nfs/dbraw/zinc/24/82/39/343248239.db2.gz DGCVLFMAVBFDAO-UHFFFAOYSA-N 1 0 284.341 1.156 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000596123621 343248885 /nfs/dbraw/zinc/24/88/85/343248885.db2.gz YEXXWZPJLMWFTH-CYBMUJFWSA-N 1 0 294.311 1.477 20 5 CDBDRO C[N@@H+]1CCC[C@]2(CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])C2)C1 ZINC000596245333 343285659 /nfs/dbraw/zinc/28/56/59/343285659.db2.gz XBAGGRZQMCKAIC-AWEZNQCLSA-N 1 0 292.339 1.618 20 5 CDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596231468 343261650 /nfs/dbraw/zinc/26/16/50/343261650.db2.gz JORQUIIQJDEENQ-MNOVXSKESA-N 1 0 292.339 1.758 20 5 CDBDRO Cc1cc(N2CC(C[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000596248406 343273837 /nfs/dbraw/zinc/27/38/37/343273837.db2.gz XBOQMYRANUMFNH-UHFFFAOYSA-N 1 0 250.302 1.296 20 5 CDBDRO O=C(NCC12CCC[NH+]1CCC2)c1ccc([N+](=O)[O-])[nH]1 ZINC000597587384 343571906 /nfs/dbraw/zinc/57/19/06/343571906.db2.gz SAOICTITWYGAHV-UHFFFAOYSA-N 1 0 278.312 1.281 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H](C)[NH+](C)C)c1 ZINC000597993376 343683046 /nfs/dbraw/zinc/68/30/46/343683046.db2.gz SKYPDYQKLITGGP-NSHDSACASA-N 1 0 279.340 1.973 20 5 CDBDRO CNc1c(C(=O)NCC[C@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000597993660 343683653 /nfs/dbraw/zinc/68/36/53/343683653.db2.gz VCIXVWOJDNQOIU-JTQLQIEISA-N 1 0 294.355 1.707 20 5 CDBDRO C[C@@H](CCNC(=O)Cc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000597995891 343684900 /nfs/dbraw/zinc/68/49/00/343684900.db2.gz HAEZMFXHUGOKQB-NSHDSACASA-N 1 0 279.340 1.594 20 5 CDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000598667791 343855673 /nfs/dbraw/zinc/85/56/73/343855673.db2.gz KJGMMLHYJXVKQL-QMTHXVAHSA-N 1 0 275.308 1.548 20 5 CDBDRO CC(C)[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000598574813 343833683 /nfs/dbraw/zinc/83/36/83/343833683.db2.gz UQLATLXSJWRUOH-LBPRGKRZSA-N 1 0 295.314 1.804 20 5 CDBDRO COC(=O)c1ccnc(N(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000598608168 343852700 /nfs/dbraw/zinc/85/27/00/343852700.db2.gz GDDRTLQYMXSANK-UHFFFAOYSA-N 1 0 296.327 1.164 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915469 343919553 /nfs/dbraw/zinc/91/95/53/343919553.db2.gz MJWXAHPHEAMOPD-LURJTMIESA-N 1 0 256.237 1.203 20 5 CDBDRO CC[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000600003493 344163531 /nfs/dbraw/zinc/16/35/31/344163531.db2.gz YMLDKWJIOGTOFG-VIFPVBQESA-N 1 0 251.286 1.840 20 5 CDBDRO C[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000602045237 344324207 /nfs/dbraw/zinc/32/42/07/344324207.db2.gz MJSAIDCXVOOHDK-SNVBAGLBSA-N 1 0 280.328 1.073 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601975423 344305109 /nfs/dbraw/zinc/30/51/09/344305109.db2.gz PDEHPOQUVGPANP-YGRLFVJLSA-N 1 0 290.323 1.170 20 5 CDBDRO Cn1cc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000602473580 344432357 /nfs/dbraw/zinc/43/23/57/344432357.db2.gz UYJSWDWAXHUFCB-NXEZZACHSA-N 1 0 250.302 1.560 20 5 CDBDRO CC(C)CC[C@@H]([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000602439265 344417027 /nfs/dbraw/zinc/41/70/27/344417027.db2.gz JAMWRHNUQMZTCW-CYBMUJFWSA-N 1 0 279.340 1.975 20 5 CDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602593365 344481284 /nfs/dbraw/zinc/48/12/84/344481284.db2.gz YDUNOVRXMNFSHW-AOOOYVTPSA-N 1 0 279.271 1.310 20 5 CDBDRO CO[C@@H](C[NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000602567702 344483748 /nfs/dbraw/zinc/48/37/48/344483748.db2.gz GAYDKHYMCXKMDG-ZDUSSCGKSA-N 1 0 282.344 1.586 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[NH2+]C2)c2ccncc21 ZINC000052093849 362401744 /nfs/dbraw/zinc/40/17/44/362401744.db2.gz PZKJIBOTALIELI-VIFPVBQESA-N 1 0 258.281 1.917 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602802341 344591880 /nfs/dbraw/zinc/59/18/80/344591880.db2.gz ZGATXUIHIGEDBM-NEPJUHHUSA-N 1 0 295.387 1.514 20 5 CDBDRO Cn1cc(C[NH2+][C@H](CCO)C(C)(C)C)c([N+](=O)[O-])n1 ZINC000602804506 344592956 /nfs/dbraw/zinc/59/29/56/344592956.db2.gz IQGBPUDMGGZSBU-SNVBAGLBSA-N 1 0 270.333 1.215 20 5 CDBDRO CSC[C@@H]1CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602780873 344596312 /nfs/dbraw/zinc/59/63/12/344596312.db2.gz BCJCMSHGDQTRHP-NSHDSACASA-N 1 0 284.385 1.927 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000150995227 362443774 /nfs/dbraw/zinc/44/37/74/362443774.db2.gz QMKICEQJYNAYSE-JTQLQIEISA-N 1 0 278.312 1.001 20 5 CDBDRO COCC1=CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602821746 344610015 /nfs/dbraw/zinc/61/00/15/344610015.db2.gz YAYXBRQSVMNMRE-UHFFFAOYSA-N 1 0 280.328 1.378 20 5 CDBDRO CC[NH+](CC)C[C@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355341764 362449005 /nfs/dbraw/zinc/44/90/05/362449005.db2.gz LQGVZWGFJQNIBL-GFCCVEGCSA-N 1 0 295.387 1.492 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCOC(C)(C)C1 ZINC000602785702 344599081 /nfs/dbraw/zinc/59/90/81/344599081.db2.gz XSLAVTVYONHSTP-UHFFFAOYSA-N 1 0 282.344 1.601 20 5 CDBDRO Cc1cccc(C(=O)NCC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000129017726 362480533 /nfs/dbraw/zinc/48/05/33/362480533.db2.gz OMNSWDSNGVPGFB-UHFFFAOYSA-N 1 0 291.351 1.975 20 5 CDBDRO CN1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000602905303 344656044 /nfs/dbraw/zinc/65/60/44/344656044.db2.gz MEOVDZUJSLCGDY-GFCCVEGCSA-N 1 0 299.758 1.357 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000602839192 344620685 /nfs/dbraw/zinc/62/06/85/344620685.db2.gz IYUXJKRIGFBHGT-GFCCVEGCSA-N 1 0 296.396 1.927 20 5 CDBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])C1(C)C ZINC000602841480 344622211 /nfs/dbraw/zinc/62/22/11/344622211.db2.gz OFHQCQGINLTWBY-ZWKOPEQDSA-N 1 0 296.371 1.749 20 5 CDBDRO C[NH2+]Cc1cn([C@@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603250584 344751577 /nfs/dbraw/zinc/75/15/77/344751577.db2.gz KINIDBLNSXVWCD-JTQLQIEISA-N 1 0 275.312 1.823 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)n1 ZINC000602998181 344683968 /nfs/dbraw/zinc/68/39/68/344683968.db2.gz YRWUDUPPCVNPRA-UPJWGTAASA-N 1 0 294.355 1.417 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)CCOC ZINC000603433812 344808417 /nfs/dbraw/zinc/80/84/17/344808417.db2.gz JAURLNZFKILSRI-LBPRGKRZSA-N 1 0 298.339 1.481 20 5 CDBDRO COCC[C@@H](CO)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000603436474 344808746 /nfs/dbraw/zinc/80/87/46/344808746.db2.gz YVFLGNPPJZENJB-UNJUUPHPSA-N 1 0 294.351 1.985 20 5 CDBDRO CC1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000129075519 362502796 /nfs/dbraw/zinc/50/27/96/362502796.db2.gz FRCZSRHJRIPCSC-UHFFFAOYSA-N 1 0 291.351 1.643 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000228668403 362511607 /nfs/dbraw/zinc/51/16/07/362511607.db2.gz ILIKGRQHMMLFOX-CYBMUJFWSA-N 1 0 267.329 1.628 20 5 CDBDRO C[C@@]1(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000230734177 345442073 /nfs/dbraw/zinc/44/20/73/345442073.db2.gz YABSGXWGCKVOJP-CYBMUJFWSA-N 1 0 263.297 1.006 20 5 CDBDRO Cc1ccc(CCNc2c([N+](=O)[O-])ncn2C)cn1 ZINC000609517201 345592310 /nfs/dbraw/zinc/59/23/10/345592310.db2.gz YYHMUUGWPOJWLO-UHFFFAOYSA-N 1 0 261.285 1.686 20 5 CDBDRO C[C@H](CNc1ccsc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000609561005 345808382 /nfs/dbraw/zinc/80/83/82/345808382.db2.gz SWJQXKVKBQJYJO-SNVBAGLBSA-N 1 0 284.385 1.704 20 5 CDBDRO CCC[N@H+](C)C[C@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000610282673 346243631 /nfs/dbraw/zinc/24/36/31/346243631.db2.gz IUAPRINHJMYLJS-LLVKDONJSA-N 1 0 281.360 1.496 20 5 CDBDRO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000611259090 346723530 /nfs/dbraw/zinc/72/35/30/346723530.db2.gz LRFDASNKTYLFFO-BXUZGUMPSA-N 1 0 280.324 1.676 20 5 CDBDRO CO[C@@H](C[NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C ZINC001579113349 1172098371 /nfs/dbraw/zinc/09/83/71/1172098371.db2.gz RMKYFEKJIBLUCD-LBPRGKRZSA-N 1 0 296.327 1.327 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273342392 192120543 /nfs/dbraw/zinc/12/05/43/192120543.db2.gz AYKPBOCWHCNVFM-UHFFFAOYSA-N 1 0 284.291 1.759 20 5 CDBDRO Cc1cc(C(=O)N[C@H](C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000087383643 179418140 /nfs/dbraw/zinc/41/81/40/179418140.db2.gz OMILZVGQHOAZQO-LLVKDONJSA-N 1 0 263.297 1.370 20 5 CDBDRO COc1cc(CN[C@@H]2C[NH2+]CC2(C)C)c([N+](=O)[O-])cc1O ZINC001579152853 1172108290 /nfs/dbraw/zinc/10/82/90/1172108290.db2.gz KZBXTDDFVLEZKT-CYBMUJFWSA-N 1 0 295.339 1.397 20 5 CDBDRO CNC(=O)[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000104668901 186012457 /nfs/dbraw/zinc/01/24/57/186012457.db2.gz WHLMNSZMXFYOSX-CQSZACIVSA-N 1 0 291.351 1.738 20 5 CDBDRO CCc1nn(C)c(NCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000091559889 180191382 /nfs/dbraw/zinc/19/13/82/180191382.db2.gz GIQPMKABDFQNPE-UHFFFAOYSA-N 1 0 267.333 1.398 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000105871191 186081334 /nfs/dbraw/zinc/08/13/34/186081334.db2.gz MLYGSBOGPNQUBS-CMPLNLGQSA-N 1 0 287.323 1.852 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC[C@H]1CCC[NH2+]C1 ZINC000110791678 186324598 /nfs/dbraw/zinc/32/45/98/186324598.db2.gz ZRDDFYDZSXQLQJ-CYBMUJFWSA-N 1 0 291.351 1.643 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000111010403 186343143 /nfs/dbraw/zinc/34/31/43/186343143.db2.gz YKRVMKYHRVUIBX-VIFPVBQESA-N 1 0 297.742 1.930 20 5 CDBDRO CC(C)[C@H]([NH3+])c1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000312159040 350753786 /nfs/dbraw/zinc/75/37/86/350753786.db2.gz HWDRBXMSOKEPLV-ZDUSSCGKSA-N 1 0 275.312 1.890 20 5 CDBDRO CNC(=O)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000111263959 186381812 /nfs/dbraw/zinc/38/18/12/186381812.db2.gz PNIRIPVCNDLJPI-ZDUSSCGKSA-N 1 0 291.351 1.861 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000123795604 351287004 /nfs/dbraw/zinc/28/70/04/351287004.db2.gz AENXONHKCCENNQ-WPRPVWTQSA-N 1 0 271.342 1.204 20 5 CDBDRO C[C@]1(O)CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000124230021 187127570 /nfs/dbraw/zinc/12/75/70/187127570.db2.gz XIEKCFMIBGIALV-AWEZNQCLSA-N 1 0 280.324 1.820 20 5 CDBDRO CC[C@H](NC(=O)CCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000236992851 363189296 /nfs/dbraw/zinc/18/92/96/363189296.db2.gz QCOGGTWHTWYFAB-LBPRGKRZSA-N 1 0 265.313 1.901 20 5 CDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3[N+](=O)[O-])C2)C1 ZINC000292102180 198163268 /nfs/dbraw/zinc/16/32/68/198163268.db2.gz GFEQTZZFVHOYCZ-OAHLLOKOSA-N 1 0 289.335 1.763 20 5 CDBDRO COc1cc(C(=O)N2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000156693584 188277609 /nfs/dbraw/zinc/27/76/09/188277609.db2.gz NJYBPYRGXPGUPL-VIFPVBQESA-N 1 0 279.296 1.024 20 5 CDBDRO Cc1cc(NC[C@](C)(O)C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000292540567 198326105 /nfs/dbraw/zinc/32/61/05/198326105.db2.gz IGYKHNGSUNYBLD-ZDUSSCGKSA-N 1 0 285.319 1.767 20 5 CDBDRO C[NH2+]CC1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000063159346 363236426 /nfs/dbraw/zinc/23/64/26/363236426.db2.gz WUDWGLWHXBBDGZ-UHFFFAOYSA-N 1 0 277.324 1.666 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000365252168 363296840 /nfs/dbraw/zinc/29/68/40/363296840.db2.gz AHXHAPSTGYPHNG-WCQYABFASA-N 1 0 289.335 1.727 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000295255051 199425753 /nfs/dbraw/zinc/42/57/53/199425753.db2.gz QSURFOBQDYLZJF-IAZYJMLFSA-N 1 0 293.348 1.264 20 5 CDBDRO O=C(NCC1=CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000169271233 188655685 /nfs/dbraw/zinc/65/56/85/188655685.db2.gz PNNZLPNTSSHNBK-UHFFFAOYSA-N 1 0 261.281 1.244 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC(C)(C)C[NH+]1CCCC1 ZINC000308666785 356332363 /nfs/dbraw/zinc/33/23/63/356332363.db2.gz IKNFACFAHMRENU-UHFFFAOYSA-N 1 0 267.333 1.615 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]CC1CC1 ZINC000037613142 356508238 /nfs/dbraw/zinc/50/82/38/356508238.db2.gz ULYALMWFMVLOPD-UHFFFAOYSA-N 1 0 263.297 1.841 20 5 CDBDRO C[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000181029682 357305021 /nfs/dbraw/zinc/30/50/21/357305021.db2.gz RHWVTEZNQNYFDW-VIFPVBQESA-N 1 0 292.339 1.390 20 5 CDBDRO C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000135230027 357799567 /nfs/dbraw/zinc/79/95/67/357799567.db2.gz ASPGVTFQONMRAI-PHIMTYICSA-N 1 0 277.324 1.346 20 5 CDBDRO C[C@H]1CCCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000187938111 357826011 /nfs/dbraw/zinc/82/60/11/357826011.db2.gz JEMOILXLKHMLKQ-LBPRGKRZSA-N 1 0 279.340 1.879 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCOCCO ZINC000337539792 358080103 /nfs/dbraw/zinc/08/01/03/358080103.db2.gz JQYTZXUEBLAPPD-JLHYYAGUSA-N 1 0 294.351 1.939 20 5 CDBDRO CNc1c(C(=O)NCC[NH2+]C(C)(C)C)cccc1[N+](=O)[O-] ZINC000361329078 358162444 /nfs/dbraw/zinc/16/24/44/358162444.db2.gz VNZQZZKJZYVTKE-UHFFFAOYSA-N 1 0 294.355 1.754 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H]2CCC=CO2)c1 ZINC000194514300 358376530 /nfs/dbraw/zinc/37/65/30/358376530.db2.gz XYUURZUUMFDBSQ-NSHDSACASA-N 1 0 252.274 1.074 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(OCCO)CC2)c1 ZINC000135388939 358402516 /nfs/dbraw/zinc/40/25/16/358402516.db2.gz NTATVIAIXOOYAS-UHFFFAOYSA-N 1 0 280.324 1.568 20 5 CDBDRO Cn1c(C(=O)N[C@@H](C[NH3+])C2CCCCC2)ccc1[N+](=O)[O-] ZINC000127375905 358422263 /nfs/dbraw/zinc/42/22/63/358422263.db2.gz FFXJFFXNLFWTMH-NSHDSACASA-N 1 0 294.355 1.571 20 5 CDBDRO Cc1ncsc1C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176237364 358749456 /nfs/dbraw/zinc/74/94/56/358749456.db2.gz SBOAWPGOZXUWCG-UHFFFAOYSA-N 1 0 281.341 1.688 20 5 CDBDRO CCC[NH2+]CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135444123 358752828 /nfs/dbraw/zinc/75/28/28/358752828.db2.gz GPXBYHNSSDHAFJ-UHFFFAOYSA-N 1 0 265.313 1.253 20 5 CDBDRO CC(C)C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000176204409 358737328 /nfs/dbraw/zinc/73/73/28/358737328.db2.gz BQOZAGHOMJGOJK-UHFFFAOYSA-N 1 0 252.318 1.912 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186687454 358817057 /nfs/dbraw/zinc/81/70/57/358817057.db2.gz QINARFFJUWVIOM-BXKDBHETSA-N 1 0 263.297 1.323 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158997612 366462774 /nfs/dbraw/zinc/46/27/74/366462774.db2.gz UURUSMMXVJBJHB-AWEZNQCLSA-N 1 0 293.298 1.560 20 5 CDBDRO CCCC[N@H+](C)C[C@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000290947911 358789558 /nfs/dbraw/zinc/78/95/58/358789558.db2.gz CNWQTXXIHWHNIA-JTQLQIEISA-N 1 0 267.333 1.917 20 5 CDBDRO COCC[C@@H]1COCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000291150436 358884474 /nfs/dbraw/zinc/88/44/74/358884474.db2.gz DQCMGEIZNSYAMY-OAHLLOKOSA-N 1 0 294.351 1.875 20 5 CDBDRO C[C@H]1CSC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000352815994 358940724 /nfs/dbraw/zinc/94/07/24/358940724.db2.gz MZCXEUSJFQIFDW-GXSJLCMTSA-N 1 0 295.364 1.874 20 5 CDBDRO CCOc1ccc(C(=O)NCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000236904917 359075100 /nfs/dbraw/zinc/07/51/00/359075100.db2.gz JKUOWXYICHFZMZ-UHFFFAOYSA-N 1 0 293.323 1.475 20 5 CDBDRO COC[C@](C)([NH3+])CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000265071234 359083690 /nfs/dbraw/zinc/08/36/90/359083690.db2.gz WONAICHDJRMRDK-CQSZACIVSA-N 1 0 290.323 1.919 20 5 CDBDRO CCNC(=O)CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338358129 359118848 /nfs/dbraw/zinc/11/88/48/359118848.db2.gz WVIZMPIMZWMXRB-UHFFFAOYSA-N 1 0 279.340 1.595 20 5 CDBDRO Cn1c(C(=O)NC[C@@]2(C)CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000128783633 359133142 /nfs/dbraw/zinc/13/31/42/359133142.db2.gz KRCUTWUFIUFLNK-ZDUSSCGKSA-N 1 0 280.328 1.053 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000338690398 359154873 /nfs/dbraw/zinc/15/48/73/359154873.db2.gz UKICRGPVEXOXDN-SNVBAGLBSA-N 1 0 292.339 1.082 20 5 CDBDRO CN(CCN1CC[NH2+]CC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000314110840 359158230 /nfs/dbraw/zinc/15/82/30/359158230.db2.gz FWPLNPIWTBTRSM-UHFFFAOYSA-N 1 0 296.346 1.071 20 5 CDBDRO CC(C)[N@H+](CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000050103861 359303598 /nfs/dbraw/zinc/30/35/98/359303598.db2.gz LHNVLSDEBFGLRT-UHFFFAOYSA-N 1 0 252.314 1.840 20 5 CDBDRO CCC(CC)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000111831435 359266972 /nfs/dbraw/zinc/26/69/72/359266972.db2.gz URDKRJGDIKFLPK-UHFFFAOYSA-N 1 0 254.290 1.170 20 5 CDBDRO COc1ccc(C[N@@H+]2CCC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000050104330 359571716 /nfs/dbraw/zinc/57/17/16/359571716.db2.gz VPQGSBWKJBRJBM-LBPRGKRZSA-N 1 0 280.324 1.808 20 5 CDBDRO C[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296805460 200003422 /nfs/dbraw/zinc/00/34/22/200003422.db2.gz UNCXPERCFIYRMI-XHDPSFHLSA-N 1 0 293.367 1.701 20 5 CDBDRO CC(C)[C@@H](C[NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000347846600 359861183 /nfs/dbraw/zinc/86/11/83/359861183.db2.gz LMMLVNPYUAHNMX-GFCCVEGCSA-N 1 0 279.340 1.484 20 5 CDBDRO CO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000169181041 359935002 /nfs/dbraw/zinc/93/50/02/359935002.db2.gz TURLABUEUOQPLW-UONOGXRCSA-N 1 0 279.340 1.533 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000054264235 360066485 /nfs/dbraw/zinc/06/64/85/360066485.db2.gz LPYPGVTXLHYWMF-UHFFFAOYSA-N 1 0 265.313 1.633 20 5 CDBDRO Cc1ccc(C(=O)NCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000054265445 360066526 /nfs/dbraw/zinc/06/65/26/360066526.db2.gz BOZJTUDBXPDRCW-UHFFFAOYSA-N 1 0 263.297 1.385 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCC1=CC[NH2+]CC1 ZINC000169277432 360201181 /nfs/dbraw/zinc/20/11/81/360201181.db2.gz DGPAWLJXULHEQB-UHFFFAOYSA-N 1 0 275.308 1.173 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[NH+](C)C ZINC000348155628 360520595 /nfs/dbraw/zinc/52/05/95/360520595.db2.gz NOVXGLFZTSVHKO-SNVBAGLBSA-N 1 0 280.328 1.975 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000178522030 189123588 /nfs/dbraw/zinc/12/35/88/189123588.db2.gz BPJYALDDYARCHS-LBPRGKRZSA-N 1 0 277.324 1.335 20 5 CDBDRO CNc1nc(C(=O)N[C@@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000455671650 360916209 /nfs/dbraw/zinc/91/62/09/360916209.db2.gz YDLFDLVZNNAFEK-VIFPVBQESA-N 1 0 295.343 1.102 20 5 CDBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000036282792 361421054 /nfs/dbraw/zinc/42/10/54/361421054.db2.gz DPULJFCCSWGEPP-UHFFFAOYSA-N 1 0 263.297 1.419 20 5 CDBDRO Cc1nc(N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)ncc1[N+](=O)[O-] ZINC000294860400 361492916 /nfs/dbraw/zinc/49/29/16/361492916.db2.gz CZRSWTJRLCMYHY-CMPLNLGQSA-N 1 0 277.328 1.224 20 5 CDBDRO COCC[N@H+](C)CCCNc1nc(C)ccc1[N+](=O)[O-] ZINC000121272209 364058885 /nfs/dbraw/zinc/05/88/85/364058885.db2.gz XNJLOCIRHHJKFT-UHFFFAOYSA-N 1 0 282.344 1.678 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000268204355 364456030 /nfs/dbraw/zinc/45/60/30/364456030.db2.gz JLDXIYSPELGGQX-KCJUWKMLSA-N 1 0 295.364 1.869 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)cccc1[N+](=O)[O-] ZINC000384489227 364769308 /nfs/dbraw/zinc/76/93/08/364769308.db2.gz SJLHWISJJOLRGQ-DGCLKSJQSA-N 1 0 291.351 1.908 20 5 CDBDRO CC(C)(CC(N)=O)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000230651746 364860398 /nfs/dbraw/zinc/86/03/98/364860398.db2.gz CPCODWGGZCBYTF-UHFFFAOYSA-N 1 0 285.731 1.992 20 5 CDBDRO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000249558858 364874342 /nfs/dbraw/zinc/87/43/42/364874342.db2.gz KXYDZGSUYFLPRT-DGCLKSJQSA-N 1 0 280.324 1.676 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180560119 365017298 /nfs/dbraw/zinc/01/72/98/365017298.db2.gz VWYPBNNZFOMFSY-SECBINFHSA-N 1 0 295.343 1.032 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180560136 365017708 /nfs/dbraw/zinc/01/77/08/365017708.db2.gz VWYPBNNZFOMFSY-VIFPVBQESA-N 1 0 295.343 1.032 20 5 CDBDRO C[NH2+]CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000414658611 241306029 /nfs/dbraw/zinc/30/60/29/241306029.db2.gz LKMDUHLEWRVKNB-UHFFFAOYSA-N 1 0 252.274 1.244 20 5 CDBDRO Cc1ccc(NC(=O)N2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000414665725 241311283 /nfs/dbraw/zinc/31/12/83/241311283.db2.gz VHZRCYZRNXWXQA-JTQLQIEISA-N 1 0 278.312 1.729 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)C1CC([NH3+])C1 ZINC000414783328 241384218 /nfs/dbraw/zinc/38/42/18/241384218.db2.gz YUVPQRPKETXVPP-UHFFFAOYSA-N 1 0 279.340 1.915 20 5 CDBDRO COc1ccc(CN[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414801238 241396586 /nfs/dbraw/zinc/39/65/86/241396586.db2.gz LSDMHJWKMVIQOS-NSHDSACASA-N 1 0 265.313 1.430 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCC[C@@H]2OC(F)F)c1 ZINC000348522615 367456615 /nfs/dbraw/zinc/45/66/15/367456615.db2.gz YMNOBZPLBBBEGD-UWVGGRQHSA-N 1 0 290.270 1.541 20 5 CDBDRO C[C@@H](NC(=O)N[C@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000417140133 242334338 /nfs/dbraw/zinc/33/43/38/242334338.db2.gz PMGXEGGAZDYUEE-NOZJJQNGSA-N 1 0 292.339 1.692 20 5 CDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000272740374 367813594 /nfs/dbraw/zinc/81/35/94/367813594.db2.gz MTLWEEAWDIHLBP-NSHDSACASA-N 1 0 289.335 1.975 20 5 CDBDRO C[N@H+]1CC=C(CNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000272635002 367785240 /nfs/dbraw/zinc/78/52/40/367785240.db2.gz BFUNEDZTKSQQTD-UHFFFAOYSA-N 1 0 291.311 1.373 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCCCCO)CC1 ZINC000298024682 368164054 /nfs/dbraw/zinc/16/40/54/368164054.db2.gz FATFOAIJLNJRCM-UHFFFAOYSA-N 1 0 294.355 1.274 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](C(C)C)CC1 ZINC000360880998 368533641 /nfs/dbraw/zinc/53/36/41/368533641.db2.gz IMMUFPCREBQGBB-UHFFFAOYSA-N 1 0 281.360 1.650 20 5 CDBDRO Cc1c(CNC(=O)[C@@H](C)[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000383027855 368546439 /nfs/dbraw/zinc/54/64/39/368546439.db2.gz IATCYAKPYVPGHP-SNVBAGLBSA-N 1 0 277.324 1.660 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000089106499 368976435 /nfs/dbraw/zinc/97/64/35/368976435.db2.gz QDFVECZKLCOGGH-WCQYABFASA-N 1 0 277.324 1.842 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](CN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)C1 ZINC000420292996 244036108 /nfs/dbraw/zinc/03/61/08/244036108.db2.gz XDKLRSPDAOCNDO-VHSXEESVSA-N 1 0 289.339 1.822 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000420632980 244300267 /nfs/dbraw/zinc/30/02/67/244300267.db2.gz ILZCJBWDNFWJFN-LLVKDONJSA-N 1 0 292.339 1.224 20 5 CDBDRO CNC(=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135226439 369651642 /nfs/dbraw/zinc/65/16/42/369651642.db2.gz MSYWJRZHHGWXHJ-UHFFFAOYSA-N 1 0 277.324 1.695 20 5 CDBDRO CC(C)[NH2+]CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766546 370079486 /nfs/dbraw/zinc/07/94/86/370079486.db2.gz LXWVRGUOGGNSIC-SNVBAGLBSA-N 1 0 265.313 1.770 20 5 CDBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000331989016 204365205 /nfs/dbraw/zinc/36/52/05/204365205.db2.gz NNWYTAFQCUHWJG-QWRGUYRKSA-N 1 0 292.339 1.622 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000179487967 372284525 /nfs/dbraw/zinc/28/45/25/372284525.db2.gz LIRWGTPSPLNAIW-JTQLQIEISA-N 1 0 293.323 1.372 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000266425582 372780936 /nfs/dbraw/zinc/78/09/36/372780936.db2.gz JOCZJGYGWWLOLM-GFCCVEGCSA-N 1 0 268.317 1.028 20 5 CDBDRO CC[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000121820860 373236531 /nfs/dbraw/zinc/23/65/31/373236531.db2.gz HTKZAOVNRTXSSC-KOLCDFICSA-N 1 0 265.313 1.818 20 5 CDBDRO C[NH2+]CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000104334950 373600021 /nfs/dbraw/zinc/60/00/21/373600021.db2.gz HMAHMEXFXIOPDI-UHFFFAOYSA-N 1 0 257.677 1.197 20 5 CDBDRO C[NH2+]CCCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417765969 374252881 /nfs/dbraw/zinc/25/28/81/374252881.db2.gz OZXLPDZFKDYRDW-UHFFFAOYSA-N 1 0 280.328 1.046 20 5 CDBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298966950 374280773 /nfs/dbraw/zinc/28/07/73/374280773.db2.gz ZINQVFGFKLSSNV-SNVBAGLBSA-N 1 0 280.328 1.527 20 5 CDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000225345914 374244163 /nfs/dbraw/zinc/24/41/63/374244163.db2.gz UFCHWXONBMROHB-ZDUSSCGKSA-N 1 0 264.329 1.253 20 5 CDBDRO C[C@H](CN)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423336918 374378045 /nfs/dbraw/zinc/37/80/45/374378045.db2.gz UPIJGKQEYAGNMB-ZWNOBZJWSA-N 1 0 263.341 1.853 20 5 CDBDRO [NH3+]C[C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000347178350 374413294 /nfs/dbraw/zinc/41/32/94/374413294.db2.gz SOGOXUSEDZJHDF-OGOUPESXSA-N 1 0 261.325 1.889 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCC[NH2+]1 ZINC000080995530 374488278 /nfs/dbraw/zinc/48/82/78/374488278.db2.gz RJACUJVFNSJRBZ-ZDUSSCGKSA-N 1 0 277.324 1.743 20 5 CDBDRO C[C@H](CS(C)(=O)=O)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000081904046 374562267 /nfs/dbraw/zinc/56/22/67/374562267.db2.gz KQUKEGFFOWOYOQ-SNVBAGLBSA-N 1 0 286.353 1.160 20 5 CDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1C[C@@]12CC[NH2+]C2 ZINC000376245504 374549062 /nfs/dbraw/zinc/54/90/62/374549062.db2.gz RWEWZGPSEAETJB-IUODEOHRSA-N 1 0 289.335 1.253 20 5 CDBDRO CC(C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942223 374564547 /nfs/dbraw/zinc/56/45/47/374564547.db2.gz SKHYEHVXXDIBAM-UHFFFAOYSA-N 1 0 272.326 1.367 20 5 CDBDRO C[C@@H]1CC(=O)NCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000378327867 374639977 /nfs/dbraw/zinc/63/99/77/374639977.db2.gz UIFJBHXKNWJWTB-LLVKDONJSA-N 1 0 293.323 1.184 20 5 CDBDRO CC(C)N1CC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000275292179 374695767 /nfs/dbraw/zinc/69/57/67/374695767.db2.gz XILASBBFAKZMPA-UHFFFAOYSA-N 1 0 277.324 1.346 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000070174915 374656231 /nfs/dbraw/zinc/65/62/31/374656231.db2.gz UGQFEWQEGZPDIZ-DTWKUNHWSA-N 1 0 295.368 1.868 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000347236005 374662895 /nfs/dbraw/zinc/66/28/95/374662895.db2.gz ODXONKKGLUPLLO-GFCCVEGCSA-N 1 0 293.367 1.984 20 5 CDBDRO CCOc1cc(C[N@@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000276960387 374762823 /nfs/dbraw/zinc/76/28/23/374762823.db2.gz VLGZTVRPGXVZPV-LLVKDONJSA-N 1 0 266.297 1.560 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCO)n1 ZINC000331028028 374881573 /nfs/dbraw/zinc/88/15/73/374881573.db2.gz XNRNFTSFFGZQBX-WDEREUQCSA-N 1 0 268.317 1.247 20 5 CDBDRO CC1(C)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000279782340 374959628 /nfs/dbraw/zinc/95/96/28/374959628.db2.gz NSXATVRGTZZHKW-ZDUSSCGKSA-N 1 0 280.324 1.676 20 5 CDBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000280300771 374990282 /nfs/dbraw/zinc/99/02/82/374990282.db2.gz OXVPZNHJUROANI-DOMZBBRYSA-N 1 0 292.335 1.975 20 5 CDBDRO COCCOCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282343862 375080479 /nfs/dbraw/zinc/08/04/79/375080479.db2.gz CBXBCRICNKBUNK-UHFFFAOYSA-N 1 0 282.340 1.732 20 5 CDBDRO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1O ZINC000283268150 375113190 /nfs/dbraw/zinc/11/31/90/375113190.db2.gz WLAZCQBLSXRQRG-ZWNOBZJWSA-N 1 0 268.288 1.937 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000299611444 375185602 /nfs/dbraw/zinc/18/56/02/375185602.db2.gz YYCBYRWHMSSZNM-MFKMUULPSA-N 1 0 277.324 1.866 20 5 CDBDRO CCc1nn(C)c(N(C)CC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000302492430 375209296 /nfs/dbraw/zinc/20/92/96/375209296.db2.gz KMSHYNFKHRJECC-UHFFFAOYSA-N 1 0 295.387 1.811 20 5 CDBDRO COc1ccc(NC(=O)N[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000350696862 375228777 /nfs/dbraw/zinc/22/87/77/375228777.db2.gz YBVNCYUMSKENMU-SECBINFHSA-N 1 0 296.327 1.675 20 5 CDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NC1CC[NH2+]CC1 ZINC000493501912 375459598 /nfs/dbraw/zinc/45/95/98/375459598.db2.gz WPJKKNPYRAONKO-DUXPYHPUSA-N 1 0 293.298 1.615 20 5 CDBDRO C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1CO ZINC000227196482 375461824 /nfs/dbraw/zinc/46/18/24/375461824.db2.gz NBERYAKNGLFGIG-NOZJJQNGSA-N 1 0 295.295 1.706 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000049096433 375402365 /nfs/dbraw/zinc/40/23/65/375402365.db2.gz RZRFUGJMTNAAOP-GFCCVEGCSA-N 1 0 263.297 1.419 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H](O)C(F)F ZINC000344766327 375430945 /nfs/dbraw/zinc/43/09/45/375430945.db2.gz XMCFQDUEAKDRHL-TZNOJPMFSA-N 1 0 272.251 1.824 20 5 CDBDRO C[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000057718509 375566312 /nfs/dbraw/zinc/56/63/12/375566312.db2.gz XIMQBUQVERNMQR-SECBINFHSA-N 1 0 292.339 1.390 20 5 CDBDRO C[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000294198979 375736968 /nfs/dbraw/zinc/73/69/68/375736968.db2.gz NUWUMEHEBZONCM-LLVKDONJSA-N 1 0 295.339 1.288 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)CC(F)F)cc1 ZINC000428637581 247339507 /nfs/dbraw/zinc/33/95/07/247339507.db2.gz DENPREHMEJUGJE-VIFPVBQESA-N 1 0 260.240 1.701 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)CC(F)F)c(F)c1 ZINC000428648821 247340468 /nfs/dbraw/zinc/34/04/68/247340468.db2.gz RINPQWBQLUCDGQ-QMMMGPOBSA-N 1 0 278.230 1.840 20 5 CDBDRO C[C@@H](C1CCC1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000357034810 375877613 /nfs/dbraw/zinc/87/76/13/375877613.db2.gz JHICATZRYJFNIW-GXFFZTMASA-N 1 0 282.344 1.273 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2CC(O)C2)cc1 ZINC000432366503 247894796 /nfs/dbraw/zinc/89/47/96/247894796.db2.gz FQDJLPZDGUAKGF-UHFFFAOYSA-N 1 0 250.298 1.845 20 5 CDBDRO CCc1n[nH]c(C(=O)NCC[N@@H+](CC)C2CC2)c1[N+](=O)[O-] ZINC000171807241 377053205 /nfs/dbraw/zinc/05/32/05/377053205.db2.gz IKZHWOBBMTUCDG-UHFFFAOYSA-N 1 0 295.343 1.094 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000189305398 377228790 /nfs/dbraw/zinc/22/87/90/377228790.db2.gz IMXCNIRWEKIWBF-LDYMZIIASA-N 1 0 281.287 1.604 20 5 CDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1C ZINC000354434881 377693914 /nfs/dbraw/zinc/69/39/14/377693914.db2.gz QKMWTSCITNUTPP-GHMZBOCLSA-N 1 0 294.355 1.868 20 5 CDBDRO CC[NH+](CC)CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000172911936 377788196 /nfs/dbraw/zinc/78/81/96/377788196.db2.gz FHNOEKNSMRPKPT-UHFFFAOYSA-N 1 0 279.340 1.595 20 5 CDBDRO C[C@H]([NH2+]CCn1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000266863361 378071310 /nfs/dbraw/zinc/07/13/10/378071310.db2.gz LSLQXJMSBDWKDO-JTQLQIEISA-N 1 0 261.285 1.537 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1Cc2ccccc2C1 ZINC000266946472 378885375 /nfs/dbraw/zinc/88/53/75/378885375.db2.gz YGWDXXULYQEODB-UHFFFAOYSA-N 1 0 286.335 1.891 20 5 CDBDRO CCC1(CC)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000446717742 250308310 /nfs/dbraw/zinc/30/83/10/250308310.db2.gz UXUGRQURZOCIBO-CYBMUJFWSA-N 1 0 296.371 1.664 20 5 CDBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N(C)C ZINC000447538335 250384215 /nfs/dbraw/zinc/38/42/15/250384215.db2.gz BDYVOEKMMHEUQY-JHJVBQTASA-N 1 0 295.387 1.815 20 5 CDBDRO COc1ccc(OCC[N@H+](C)CC[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000173826074 379321706 /nfs/dbraw/zinc/32/17/06/379321706.db2.gz GUYUUOSTTBNGLK-LLVKDONJSA-N 1 0 298.339 1.685 20 5 CDBDRO CN(C)CC[N@H+](C)CCCNc1ccccc1[N+](=O)[O-] ZINC000289156444 197248492 /nfs/dbraw/zinc/24/84/92/197248492.db2.gz UBDFOXZRHHSOGT-UHFFFAOYSA-N 1 0 280.372 1.890 20 5 CDBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@H]2COCCO2)C2CC2)c1 ZINC000450500486 285153215 /nfs/dbraw/zinc/15/32/15/285153215.db2.gz NEBNLKXKFFSCNC-HNNXBMFYSA-N 1 0 292.335 1.975 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)C[NH+](C)C ZINC000288552042 197110645 /nfs/dbraw/zinc/11/06/45/197110645.db2.gz YUNQPIKPCDCWHH-QMMMGPOBSA-N 1 0 255.322 1.482 20 5 CDBDRO C[C@@H](NC(=O)NCCC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000417986075 533162224 /nfs/dbraw/zinc/16/22/24/533162224.db2.gz QBUCBVHIUPUMBI-SECBINFHSA-N 1 0 266.301 1.304 20 5 CDBDRO C[C@H]1C[NH+](CCn2cc([N+](=O)[O-])cn2)C[C@H](C)S1 ZINC000531101387 390557760 /nfs/dbraw/zinc/55/77/60/390557760.db2.gz BXIAJICGEPJFHU-UWVGGRQHSA-N 1 0 270.358 1.617 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000179197425 390944656 /nfs/dbraw/zinc/94/46/56/390944656.db2.gz VOQSMUHEIQMCJM-JARNTUPDSA-N 1 0 263.297 1.414 20 5 CDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000440636833 391433650 /nfs/dbraw/zinc/43/36/50/391433650.db2.gz GKYIAORIRNNVMR-NSHDSACASA-N 1 0 298.343 1.010 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)CC[NH3+] ZINC000415589011 391467892 /nfs/dbraw/zinc/46/78/92/391467892.db2.gz YJHBCMZCNYLCMN-UHFFFAOYSA-N 1 0 266.301 1.634 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415494811 391467913 /nfs/dbraw/zinc/46/79/13/391467913.db2.gz FFSBKRJWZLIWRV-IAZYJMLFSA-N 1 0 276.296 1.243 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000415767292 391471427 /nfs/dbraw/zinc/47/14/27/391471427.db2.gz UFEQGQKWUJEODG-VIFPVBQESA-N 1 0 280.328 1.968 20 5 CDBDRO CCc1nn(C)c(N2CC[C@H]([NH3+])[C@H](C)C2)c1[N+](=O)[O-] ZINC000094342784 391418641 /nfs/dbraw/zinc/41/86/41/391418641.db2.gz ALJDQWWPCFDRLY-BDAKNGLRSA-N 1 0 267.333 1.064 20 5 CDBDRO CC(C)=CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000397648363 391631058 /nfs/dbraw/zinc/63/10/58/391631058.db2.gz DQFNANZRXNAKEI-GFCCVEGCSA-N 1 0 268.317 1.098 20 5 CDBDRO C[C@H](CC[NH+](C)C)Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341938023 130147467 /nfs/dbraw/zinc/14/74/67/130147467.db2.gz XUXKCNAQGPBANY-SECBINFHSA-N 1 0 280.328 1.446 20 5 CDBDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000341984805 130209100 /nfs/dbraw/zinc/20/91/00/130209100.db2.gz MBRKAJNZASDSIT-GWCFXTLKSA-N 1 0 277.324 1.409 20 5 CDBDRO COCCCN(CCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000189922756 391811086 /nfs/dbraw/zinc/81/10/86/391811086.db2.gz AFQXAVANSLOQRO-UHFFFAOYSA-N 1 0 286.303 1.565 20 5 CDBDRO CC[C@]1(O)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000495207608 391905596 /nfs/dbraw/zinc/90/55/96/391905596.db2.gz YHEGJENXSHALSX-AWEZNQCLSA-N 1 0 280.324 1.820 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000237831761 391983489 /nfs/dbraw/zinc/98/34/89/391983489.db2.gz FMWBLYCGKFWONY-NSHDSACASA-N 1 0 293.323 1.313 20 5 CDBDRO COc1cc(C[NH2+]Cc2ccn(C)c2)c([N+](=O)[O-])cc1O ZINC000267111856 392138159 /nfs/dbraw/zinc/13/81/59/392138159.db2.gz RGJWMRICMHYIRW-UHFFFAOYSA-N 1 0 291.307 1.937 20 5 CDBDRO CCc1ccc(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000237138112 131006867 /nfs/dbraw/zinc/00/68/67/131006867.db2.gz WIFIROBCHXCACK-MNOVXSKESA-N 1 0 291.351 1.980 20 5 CDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CC[NH2+]C1 ZINC000237256903 131018688 /nfs/dbraw/zinc/01/86/88/131018688.db2.gz RRHSPGIGGIIFBO-SECBINFHSA-N 1 0 297.742 1.816 20 5 CDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000237891224 131063695 /nfs/dbraw/zinc/06/36/95/131063695.db2.gz DXGFZBXCRCLHJQ-UHFFFAOYSA-N 1 0 277.324 1.253 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261588734 131154155 /nfs/dbraw/zinc/15/41/55/131154155.db2.gz KIIPEDSQXRGLAQ-RKDXNWHRSA-N 1 0 265.269 1.012 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261593275 131155035 /nfs/dbraw/zinc/15/50/35/131155035.db2.gz MWLOHVOZAXXTQH-IUCAKERBSA-N 1 0 281.337 1.480 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc([N+](=O)[O-])c1 ZINC000261679419 131161515 /nfs/dbraw/zinc/16/15/15/131161515.db2.gz MDXUEDNUTWOYTP-OAHLLOKOSA-N 1 0 289.335 1.729 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC1CC[NH2+]CC1 ZINC000262521584 131228840 /nfs/dbraw/zinc/22/88/40/131228840.db2.gz XJTOEWRGHLZLCZ-UHFFFAOYSA-N 1 0 297.742 1.659 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262522200 131229049 /nfs/dbraw/zinc/22/90/49/131229049.db2.gz JDMZPOAHLSXZKT-LURJTMIESA-N 1 0 257.677 1.325 20 5 CDBDRO CN(CC(C)(C)C[NH3+])C(=O)c1cccc([N+](=O)[O-])c1N ZINC000262583582 131236553 /nfs/dbraw/zinc/23/65/53/131236553.db2.gz MGTWQRQIQNTCAG-UHFFFAOYSA-N 1 0 280.328 1.234 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000262840783 131266470 /nfs/dbraw/zinc/26/64/70/131266470.db2.gz RHDYYFRICVLAPC-GMSGAONNSA-N 1 0 296.302 1.044 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000262979685 131277753 /nfs/dbraw/zinc/27/77/53/131277753.db2.gz YPBBZQYGKDYWCY-WDEREUQCSA-N 1 0 293.323 1.230 20 5 CDBDRO COCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000263811362 131337072 /nfs/dbraw/zinc/33/70/72/131337072.db2.gz UMXSCJNHJZRAHM-UHFFFAOYSA-N 1 0 294.355 1.903 20 5 CDBDRO C[NH+](C)CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000442672819 392448761 /nfs/dbraw/zinc/44/87/61/392448761.db2.gz ROOVCVYKTRFPDU-ZDUSSCGKSA-N 1 0 295.364 1.730 20 5 CDBDRO Cc1n[nH]c(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1[N+](=O)[O-] ZINC000265124129 131550620 /nfs/dbraw/zinc/55/06/20/131550620.db2.gz ORZRIEYWQNCFNC-SNVBAGLBSA-N 1 0 297.359 1.332 20 5 CDBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330559709 392717209 /nfs/dbraw/zinc/71/72/09/392717209.db2.gz HMIOTLKDPACFRN-QWRGUYRKSA-N 1 0 294.355 1.773 20 5 CDBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC1(C)C ZINC000419320064 392890152 /nfs/dbraw/zinc/89/01/52/392890152.db2.gz PJEHVUZHNQLMLA-AGIUHOORSA-N 1 0 296.371 1.567 20 5 CDBDRO CCOC(=O)c1ccnc(NC[C@H](C)C[NH2+]C)c1[N+](=O)[O-] ZINC000420215450 392905541 /nfs/dbraw/zinc/90/55/41/392905541.db2.gz WFXKDRWCRALMKQ-SECBINFHSA-N 1 0 296.327 1.434 20 5 CDBDRO COC(=O)c1cnc(N[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420234845 392910394 /nfs/dbraw/zinc/91/03/94/392910394.db2.gz HTLKUKPSCXPENQ-NXEZZACHSA-N 1 0 294.311 1.458 20 5 CDBDRO CN(c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1C[NH2+]C1 ZINC000420262340 392916308 /nfs/dbraw/zinc/91/63/08/392916308.db2.gz RCACUOPXOCWPGP-UHFFFAOYSA-N 1 0 275.268 1.053 20 5 CDBDRO Cc1c(NC(=O)N(C)CCC[NH3+])cccc1[N+](=O)[O-] ZINC000521212712 392865229 /nfs/dbraw/zinc/86/52/29/392865229.db2.gz LMDBTXHYAMTKEO-UHFFFAOYSA-N 1 0 266.301 1.716 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000417852150 392874635 /nfs/dbraw/zinc/87/46/35/392874635.db2.gz NTFYCAFGQUVSMA-JQWIXIFHSA-N 1 0 292.339 1.707 20 5 CDBDRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000421368474 392933711 /nfs/dbraw/zinc/93/37/11/392933711.db2.gz XIDBIJUVVVNKEL-AULYBMBSSA-N 1 0 291.351 1.976 20 5 CDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1CCC[NH2+]C1 ZINC000269173052 132124506 /nfs/dbraw/zinc/12/45/06/132124506.db2.gz FZIRAJPIMZTHBV-UWVGGRQHSA-N 1 0 292.339 1.295 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000269197414 132129466 /nfs/dbraw/zinc/12/94/66/132129466.db2.gz JCQLWBYVLOGLRG-ONGXEEELSA-N 1 0 292.339 1.295 20 5 CDBDRO COc1ccc(CNC(=O)[C@@H]([NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000269228220 132136811 /nfs/dbraw/zinc/13/68/11/132136811.db2.gz BTXMEVAUPQQMQC-NSHDSACASA-N 1 0 295.339 1.593 20 5 CDBDRO CCc1ccc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000269265307 132146311 /nfs/dbraw/zinc/14/63/11/132146311.db2.gz KLURQETUHOKSAV-MFKMUULPSA-N 1 0 291.351 1.967 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000421700303 392943066 /nfs/dbraw/zinc/94/30/66/392943066.db2.gz DSIBSPONKMGVNA-ZDUSSCGKSA-N 1 0 277.324 1.761 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000313796219 392956934 /nfs/dbraw/zinc/95/69/34/392956934.db2.gz FAFLVBPBGGESSJ-XHPSBEMXSA-N 1 0 289.335 1.805 20 5 CDBDRO COc1ccc(CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000429913024 393088578 /nfs/dbraw/zinc/08/85/78/393088578.db2.gz COWIIPZPSLIVLT-MNOVXSKESA-N 1 0 293.323 1.347 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000430208376 393093215 /nfs/dbraw/zinc/09/32/15/393093215.db2.gz OQSKDEMZYXXFPN-CQSZACIVSA-N 1 0 280.324 1.950 20 5 CDBDRO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430203579 393093660 /nfs/dbraw/zinc/09/36/60/393093660.db2.gz PBBCLXTWEXRDES-SNVBAGLBSA-N 1 0 296.323 1.844 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430637888 393102180 /nfs/dbraw/zinc/10/21/80/393102180.db2.gz DJCMPINXJCWAHX-CYBMUJFWSA-N 1 0 293.367 1.905 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430937135 393108103 /nfs/dbraw/zinc/10/81/03/393108103.db2.gz ZKKCXQCHGXYJSD-JTQLQIEISA-N 1 0 267.304 1.775 20 5 CDBDRO CCOCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447539482 393114770 /nfs/dbraw/zinc/11/47/70/393114770.db2.gz GVLILEPJTJJAGF-NWDGAFQWSA-N 1 0 282.344 1.901 20 5 CDBDRO COc1cc(C)ccc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000449192802 393131688 /nfs/dbraw/zinc/13/16/88/393131688.db2.gz MQYOPIYOCPGKFR-UHFFFAOYSA-N 1 0 290.323 1.898 20 5 CDBDRO COC[C@H](CCO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449155807 393131968 /nfs/dbraw/zinc/13/19/68/393131968.db2.gz MGJAHYHRTOYBMZ-YPMHNXCESA-N 1 0 282.340 1.513 20 5 CDBDRO Cn1c(C(=O)NCCC[C@@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000449679195 393137581 /nfs/dbraw/zinc/13/75/81/393137581.db2.gz GZWLQGGFLJDZQW-JTQLQIEISA-N 1 0 280.328 1.195 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000449643172 393137723 /nfs/dbraw/zinc/13/77/23/393137723.db2.gz YTGXRTSYYPSIHY-CMPLNLGQSA-N 1 0 277.324 1.842 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000449721627 393138935 /nfs/dbraw/zinc/13/89/35/393138935.db2.gz UJXWVBGODUOURC-UWVGGRQHSA-N 1 0 293.323 1.461 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351943449 393207422 /nfs/dbraw/zinc/20/74/22/393207422.db2.gz GEPWLQBVVBACJQ-NRUUGDAUSA-N 1 0 250.298 1.968 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000089091523 139669539 /nfs/dbraw/zinc/66/95/39/139669539.db2.gz AVQCJQVNADHARK-SKDRFNHKSA-N 1 0 278.312 1.844 20 5 CDBDRO Cn1ccc(CC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC000230880618 140215129 /nfs/dbraw/zinc/21/51/29/140215129.db2.gz RPNYJKWJAASPAH-UHFFFAOYSA-N 1 0 266.326 1.722 20 5 CDBDRO Cc1c(CNC(=O)C2([NH3+])CCC2)cccc1[N+](=O)[O-] ZINC000231856688 140220034 /nfs/dbraw/zinc/22/00/34/140220034.db2.gz FCXAHFWOKKKPNO-UHFFFAOYSA-N 1 0 263.297 1.401 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CCC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000232236250 140222269 /nfs/dbraw/zinc/22/22/69/140222269.db2.gz WNSWJRDYBZWNBV-GFCCVEGCSA-N 1 0 277.324 1.775 20 5 CDBDRO CNC(=O)[C@@H](C)C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255276187 140336971 /nfs/dbraw/zinc/33/69/71/140336971.db2.gz CXFRMYBZVWKPPG-VFFGBVLKSA-N 1 0 291.351 1.922 20 5 CDBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1[NH3+] ZINC000261575802 140353227 /nfs/dbraw/zinc/35/32/27/140353227.db2.gz BTQICWUOBJQIEB-TVQRCGJNSA-N 1 0 267.304 1.903 20 5 CDBDRO COC[C@@]1(CNc2ncccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261583343 140356033 /nfs/dbraw/zinc/35/60/33/140356033.db2.gz HGOVKHQWNLPPLI-LBPRGKRZSA-N 1 0 266.301 1.170 20 5 CDBDRO O=[N+]([O-])c1cccc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261586035 140356575 /nfs/dbraw/zinc/35/65/75/140356575.db2.gz IQWNLAXWFIJELW-OLZOCXBDSA-N 1 0 261.325 1.636 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[C@H]1CCC[NH2+]1 ZINC000261589180 140358410 /nfs/dbraw/zinc/35/84/10/140358410.db2.gz KOKQDPYCNDZSAU-SNVBAGLBSA-N 1 0 267.333 1.674 20 5 CDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000261641305 140367079 /nfs/dbraw/zinc/36/70/79/140367079.db2.gz GHLDFDLOKICJGZ-GFCCVEGCSA-N 1 0 277.324 1.713 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH2+]CC1 ZINC000261652053 140369797 /nfs/dbraw/zinc/36/97/97/140369797.db2.gz FNZJCXTWDDUKLC-UHFFFAOYSA-N 1 0 292.339 1.137 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261723270 140379966 /nfs/dbraw/zinc/37/99/66/140379966.db2.gz QJCJKLNNTAVSFO-BPNCWPANSA-N 1 0 291.351 1.773 20 5 CDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000261839735 140396630 /nfs/dbraw/zinc/39/66/30/140396630.db2.gz ZRNJRSCGASNHRN-SECBINFHSA-N 1 0 267.285 1.306 20 5 CDBDRO [NH3+]C1(c2noc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000261842744 140397745 /nfs/dbraw/zinc/39/77/45/140397745.db2.gz SDUDZXZWUNNAGM-UHFFFAOYSA-N 1 0 260.253 1.983 20 5 CDBDRO CCC[C@@H]([NH3+])C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000286787372 397983002 /nfs/dbraw/zinc/98/30/02/397983002.db2.gz PJDBJXBHUXPHMP-SECBINFHSA-N 1 0 277.284 1.537 20 5 CDBDRO CNC(=O)[C@@H](C)C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093898810 147072262 /nfs/dbraw/zinc/07/22/62/147072262.db2.gz CXFRMYBZVWKPPG-WMADIVHISA-N 1 0 291.351 1.922 20 5 CDBDRO C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000262085151 149013429 /nfs/dbraw/zinc/01/34/29/149013429.db2.gz UEEIOHMGDWSAIM-YJLKIPLNSA-N 1 0 261.325 1.887 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000262808266 149116181 /nfs/dbraw/zinc/11/61/81/149116181.db2.gz QKZDBCFFFXMGJB-QWRGUYRKSA-N 1 0 277.324 1.726 20 5 CDBDRO C[C@@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000311061052 149208850 /nfs/dbraw/zinc/20/88/50/149208850.db2.gz IPFKPNJSBAJULQ-CYBMUJFWSA-N 1 0 250.298 1.845 20 5 CDBDRO COCC[C@H](CO)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000312171628 149228097 /nfs/dbraw/zinc/22/80/97/149228097.db2.gz VLKIKRIGZFUMMF-WCQYABFASA-N 1 0 282.340 1.951 20 5 CDBDRO CC(C)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])OCCO ZINC000342328334 151810158 /nfs/dbraw/zinc/81/01/58/151810158.db2.gz WWHOEDNNFWQMHC-ALCCZGGFSA-N 1 0 294.351 1.985 20 5 CDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CC(N)=O ZINC000343124218 152041770 /nfs/dbraw/zinc/04/17/70/152041770.db2.gz ZDRKDGSYUHLYQE-QWRGUYRKSA-N 1 0 279.340 1.769 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000343249025 152084562 /nfs/dbraw/zinc/08/45/62/152084562.db2.gz BWWYAJCXDCBNJH-NXEZZACHSA-N 1 0 278.312 1.280 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000346169313 153080652 /nfs/dbraw/zinc/08/06/52/153080652.db2.gz QDLYOABGADIPCL-NEPJUHHUSA-N 1 0 281.360 1.206 20 5 CDBDRO C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000346210479 153098487 /nfs/dbraw/zinc/09/84/87/153098487.db2.gz OWUKXJWURVZFLF-QMMMGPOBSA-N 1 0 285.731 1.928 20 5 CDBDRO CC(C)[NH+](CCN(C)c1c([N+](=O)[O-])ncn1C)C(C)C ZINC000355569904 157122177 /nfs/dbraw/zinc/12/21/77/157122177.db2.gz VDZGBQZEVYKXRL-UHFFFAOYSA-N 1 0 283.376 1.883 20 5 CDBDRO CC(C)(CNC(=O)c1cc([N+](=O)[O-])c[nH]1)C[NH+]1CCCC1 ZINC000358856883 158054115 /nfs/dbraw/zinc/05/41/15/158054115.db2.gz LXZLMGNHPXKDHV-UHFFFAOYSA-N 1 0 294.355 1.775 20 5 CDBDRO COC(=O)C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000361741469 158975772 /nfs/dbraw/zinc/97/57/72/158975772.db2.gz WHCQSXXAGWPBQR-AWEZNQCLSA-N 1 0 294.307 1.407 20 5 CDBDRO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000362073900 159060744 /nfs/dbraw/zinc/06/07/44/159060744.db2.gz AKMZNZLODATKNV-NWDGAFQWSA-N 1 0 280.324 1.534 20 5 CDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000368720868 159702349 /nfs/dbraw/zinc/70/23/49/159702349.db2.gz BREGWOIJYNGQGL-LLVKDONJSA-N 1 0 293.323 1.232 20 5 CDBDRO C[NH+](C)CCCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000033467924 171805086 /nfs/dbraw/zinc/80/50/86/171805086.db2.gz VJTSQTNVNJHLPC-HJWRWDBZSA-N 1 0 277.324 1.676 20 5 CDBDRO O=C(NC1CC[NH2+]CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000037116516 172967387 /nfs/dbraw/zinc/96/73/87/172967387.db2.gz GGNCTCZESSLYAF-UHFFFAOYSA-N 1 0 283.715 1.730 20 5 CDBDRO CO[C@H](C)C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000285682102 196364115 /nfs/dbraw/zinc/36/41/15/196364115.db2.gz NFNPZFYCVYFXAE-LLVKDONJSA-N 1 0 268.313 1.940 20 5 CDBDRO CC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000040454901 174267252 /nfs/dbraw/zinc/26/72/52/174267252.db2.gz VXRBCZSBSYSMLB-UHFFFAOYSA-N 1 0 251.290 1.281 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000040593848 174348265 /nfs/dbraw/zinc/34/82/65/174348265.db2.gz WLEASBMOSLHAOL-NSHDSACASA-N 1 0 277.324 1.666 20 5 CDBDRO Cc1nn(C)c(NC[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000040623905 174355380 /nfs/dbraw/zinc/35/53/80/174355380.db2.gz FJGPSHUNLJUMQN-LLVKDONJSA-N 1 0 281.360 1.779 20 5 CDBDRO O=C(CC1CC[NH2+]CC1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676259 174373661 /nfs/dbraw/zinc/37/36/61/174373661.db2.gz JLCJYYCBHHALKJ-UHFFFAOYSA-N 1 0 291.351 1.643 20 5 CDBDRO CC(C)[NH2+]CCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676287 174373706 /nfs/dbraw/zinc/37/37/06/174373706.db2.gz JNMNYHYXKFBZDI-UHFFFAOYSA-N 1 0 279.340 1.642 20 5 CDBDRO O=[N+]([O-])c1cnc(NCC[NH+]2CCCCCC2)nc1 ZINC000040768066 174398783 /nfs/dbraw/zinc/39/87/83/174398783.db2.gz JWHCLRWWBSJCDS-UHFFFAOYSA-N 1 0 265.317 1.673 20 5 CDBDRO Cc1c(C(=O)NC[C@@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000044492151 175181149 /nfs/dbraw/zinc/18/11/49/175181149.db2.gz IYXSCSXHCUHZSG-NSHDSACASA-N 1 0 277.324 1.775 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000044538545 175199981 /nfs/dbraw/zinc/19/99/81/175199981.db2.gz LPRLIJLOZHMIAW-JTQLQIEISA-N 1 0 295.314 1.806 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000044555612 175202379 /nfs/dbraw/zinc/20/23/79/175202379.db2.gz ZFQMCQXUFYNURC-LBPRGKRZSA-N 1 0 278.312 1.940 20 5 CDBDRO COC[C@H](O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000071269955 176103390 /nfs/dbraw/zinc/10/33/90/176103390.db2.gz YQBMNTJCYIVNLL-LLVKDONJSA-N 1 0 254.286 1.000 20 5 CDBDRO COc1ccc(CN(C)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000071311520 176118541 /nfs/dbraw/zinc/11/85/41/176118541.db2.gz KDBXJHYBOPUYMQ-NSHDSACASA-N 1 0 265.313 1.397 20 5 CDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000078779268 177387177 /nfs/dbraw/zinc/38/71/77/177387177.db2.gz MSEIFNNHGMHCDB-UHFFFAOYSA-N 1 0 252.314 1.840 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000313345851 260285881 /nfs/dbraw/zinc/28/58/81/260285881.db2.gz SKPYQZHKWVQOID-RKVAAYGKSA-N 1 0 289.335 1.804 20 5 CDBDRO [NH3+]C[C@H](NC(=O)/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000213321072 261155313 /nfs/dbraw/zinc/15/53/13/261155313.db2.gz LYQFSGUQMPFBIS-KRZKBDHCSA-N 1 0 275.308 1.462 20 5 CDBDRO [NH3+]CC1(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000216272382 262041970 /nfs/dbraw/zinc/04/19/70/262041970.db2.gz NDPPZHPWMJCCBV-YVMONPNESA-N 1 0 289.335 1.996 20 5 CDBDRO CC1(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000189334043 270276663 /nfs/dbraw/zinc/27/66/63/270276663.db2.gz NLMIQBOIYLHQQH-VOTSOKGWSA-N 1 0 289.335 1.866 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1(C)C[NH2+]C1 ZINC000399252828 270371625 /nfs/dbraw/zinc/37/16/25/270371625.db2.gz PNYNOTDGCVDXBM-UHFFFAOYSA-N 1 0 263.297 1.163 20 5 CDBDRO C[C@H]1C[C@@H]1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000453576404 270393622 /nfs/dbraw/zinc/39/36/22/270393622.db2.gz MRFOTQKOOPWNLQ-NWDGAFQWSA-N 1 0 276.340 1.768 20 5 CDBDRO C[NH+](C)C1CN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000271763610 273792762 /nfs/dbraw/zinc/79/27/62/273792762.db2.gz ZOSCTHAWVVEHJC-UHFFFAOYSA-N 1 0 256.693 1.393 20 5 CDBDRO C[NH2+]C[C@@H](C)CNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000420188567 273963543 /nfs/dbraw/zinc/96/35/43/273963543.db2.gz FLQSKWNKGOAZFC-SECBINFHSA-N 1 0 281.312 1.649 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000132769020 274289039 /nfs/dbraw/zinc/28/90/39/274289039.db2.gz KQJXMQISZVNURJ-RNCFNFMXSA-N 1 0 295.314 1.933 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000044555701 274951100 /nfs/dbraw/zinc/95/11/00/274951100.db2.gz MSFNJYAKSZPDOR-GFCCVEGCSA-N 1 0 278.312 1.940 20 5 CDBDRO O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CC[NH2+]C1 ZINC000052093997 275033160 /nfs/dbraw/zinc/03/31/60/275033160.db2.gz VVCHVWNLZXLGIY-ZETCQYMHSA-N 1 0 287.117 1.526 20 5 CDBDRO CC(C)[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(N)=O ZINC000297775801 275718711 /nfs/dbraw/zinc/71/87/11/275718711.db2.gz VXTHCWYEKJDTSY-ZDUSSCGKSA-N 1 0 283.303 1.724 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000104205965 276432454 /nfs/dbraw/zinc/43/24/54/276432454.db2.gz NLQJIMMTZPXVOR-SECBINFHSA-N 1 0 251.286 1.370 20 5 CDBDRO C[N@@H+]1CCCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000048802022 277052328 /nfs/dbraw/zinc/05/23/28/277052328.db2.gz JEUOOAZOXYVWFG-UHFFFAOYSA-N 1 0 253.277 1.876 20 5 CDBDRO C[N@@H+]1CC[C@H]2OCCN(Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000332351128 277180399 /nfs/dbraw/zinc/18/03/99/277180399.db2.gz ZKABTWMZWZDMIN-LSDHHAIUSA-N 1 0 291.351 1.500 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271859588 277231825 /nfs/dbraw/zinc/23/18/25/277231825.db2.gz ZCDJLVADYKEPHL-NXEZZACHSA-N 1 0 265.313 1.770 20 5 CDBDRO COc1cc(N2CC([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000273327545 277381048 /nfs/dbraw/zinc/38/10/48/277381048.db2.gz QORQSQANYHWNBS-UHFFFAOYSA-N 1 0 251.286 1.354 20 5 CDBDRO C[C@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355551407 278343033 /nfs/dbraw/zinc/34/30/33/278343033.db2.gz ICAFSOJXLGTTLP-JTQLQIEISA-N 1 0 252.318 1.950 20 5 CDBDRO Cc1cnc(N2CCO[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000266228956 279015524 /nfs/dbraw/zinc/01/55/24/279015524.db2.gz SSHIRQUDMKWRIZ-NSHDSACASA-N 1 0 280.328 1.065 20 5 CDBDRO C[C@@H]1OCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000120997334 279044199 /nfs/dbraw/zinc/04/41/99/279044199.db2.gz DVWMANHUKAVPMI-GWCFXTLKSA-N 1 0 250.298 1.904 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000217595776 280089227 /nfs/dbraw/zinc/08/92/27/280089227.db2.gz TYZPVFBHHDUTHA-WBTMPAOCSA-N 1 0 289.335 1.948 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000227036766 280103069 /nfs/dbraw/zinc/10/30/69/280103069.db2.gz GOLWEDCHKQFWOL-UXFRKABBSA-N 1 0 289.335 1.817 20 5 CDBDRO C[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245457786 280210579 /nfs/dbraw/zinc/21/05/79/280210579.db2.gz JZDVVIZPOOXGIL-CHWSQXEVSA-N 1 0 293.367 1.966 20 5 CDBDRO C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000248861988 280388595 /nfs/dbraw/zinc/38/85/95/280388595.db2.gz ADVGSFHOMLWNFL-AAEUAGOBSA-N 1 0 280.324 1.676 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000122305044 281016164 /nfs/dbraw/zinc/01/61/64/281016164.db2.gz AOOHMHNIDYVQHD-LLVKDONJSA-N 1 0 263.297 1.467 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000261633124 281016384 /nfs/dbraw/zinc/01/63/84/281016384.db2.gz WBFHWZKPAAAUEO-SKDRFNHKSA-N 1 0 263.297 1.465 20 5 CDBDRO Cc1ccnc(N2CC[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000261592292 281462033 /nfs/dbraw/zinc/46/20/33/281462033.db2.gz MHNHUZGINUGKGL-CYBMUJFWSA-N 1 0 262.313 1.488 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1CCOCC1 ZINC000155838286 289252310 /nfs/dbraw/zinc/25/23/10/289252310.db2.gz VFPKVEVOUZNHPO-UHFFFAOYSA-N 1 0 295.339 1.115 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]CCn2cnnc2C2CC2)cs1 ZINC000156239363 289260870 /nfs/dbraw/zinc/26/08/70/289260870.db2.gz QELNDKNQILCLRX-UHFFFAOYSA-N 1 0 293.352 1.915 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1(C2CC2)CC1 ZINC000542524378 289547670 /nfs/dbraw/zinc/54/76/70/289547670.db2.gz YUUVHFVBULZDMB-GFCCVEGCSA-N 1 0 292.335 1.867 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCO2)c1 ZINC000559239901 290440156 /nfs/dbraw/zinc/44/01/56/290440156.db2.gz TWIAXDLZBDGQPS-JSGCOSHPSA-N 1 0 296.323 1.103 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CC[NH2+]C(C)C ZINC000565653745 293654618 /nfs/dbraw/zinc/65/46/18/293654618.db2.gz JIFZRFHITAEILJ-UHFFFAOYSA-N 1 0 295.339 1.608 20 5 CDBDRO CC[NH2+]CCCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000572380583 294613799 /nfs/dbraw/zinc/61/37/99/294613799.db2.gz JUVCVBCCSBCLDC-UHFFFAOYSA-N 1 0 294.355 1.436 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000089091652 295273697 /nfs/dbraw/zinc/27/36/97/295273697.db2.gz YDSPLTFXCYAVJH-NXEZZACHSA-N 1 0 299.352 1.001 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000185155397 295320737 /nfs/dbraw/zinc/32/07/37/295320737.db2.gz HUQWMFOGSSDTDD-RAIGVLPGSA-N 1 0 275.308 1.404 20 5 CDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]1 ZINC000178729694 295476213 /nfs/dbraw/zinc/47/62/13/295476213.db2.gz RCMXODBGSFQJGP-LLVKDONJSA-N 1 0 292.339 1.265 20 5 CDBDRO NC(=O)C1(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000183835529 323349342 /nfs/dbraw/zinc/34/93/42/323349342.db2.gz YKARELISEAZTTD-UHFFFAOYSA-N 1 0 269.688 1.356 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000579122277 324112786 /nfs/dbraw/zinc/11/27/86/324112786.db2.gz XZQRQNLYDSFXQP-VHSXEESVSA-N 1 0 293.323 1.461 20 5 CDBDRO CC(=O)N1CC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000582430935 324976317 /nfs/dbraw/zinc/97/63/17/324976317.db2.gz MKZQCDAZTYYPGG-VIFPVBQESA-N 1 0 263.297 1.476 20 5 CDBDRO CC(C)[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000583439588 325175002 /nfs/dbraw/zinc/17/50/02/325175002.db2.gz ZAPVPZNYZMBKKK-UHFFFAOYSA-N 1 0 268.317 1.051 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(O[C@H]2CCC[NH2+]C2)n1 ZINC000134246322 1175814478 /nfs/dbraw/zinc/81/44/78/1175814478.db2.gz AQSVZURGJIDDCC-QMMMGPOBSA-N 1 0 253.258 1.129 20 5 CDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[NH2+]C1 ZINC000417935196 534472401 /nfs/dbraw/zinc/47/24/01/534472401.db2.gz GDKNYUVURGBYAD-GFCCVEGCSA-N 1 0 292.339 1.189 20 5 CDBDRO CC[N@H+](CCNc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000338718333 521085010 /nfs/dbraw/zinc/08/50/10/521085010.db2.gz VHKAEUQASVIJQQ-UHFFFAOYSA-N 1 0 255.322 1.471 20 5 CDBDRO C[NH2+]CC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000063159563 521977014 /nfs/dbraw/zinc/97/70/14/521977014.db2.gz PIPNBFSURYPYOM-UHFFFAOYSA-N 1 0 267.285 1.259 20 5 CDBDRO CNc1c(C(=O)NCC[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000161479606 522538509 /nfs/dbraw/zinc/53/85/09/522538509.db2.gz TVZNNGDLGJXCOP-UHFFFAOYSA-N 1 0 292.339 1.461 20 5 CDBDRO CN(CC[NH3+])Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000415102976 536368901 /nfs/dbraw/zinc/36/89/01/536368901.db2.gz FDZBKCDNIUGWRQ-UHFFFAOYSA-N 1 0 275.255 1.587 20 5 CDBDRO COc1ccc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000234916766 523673609 /nfs/dbraw/zinc/67/36/09/523673609.db2.gz QTDQGHMDLKUBND-WPRPVWTQSA-N 1 0 279.296 1.023 20 5 CDBDRO COCC[NH+](CCOC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351257 523717304 /nfs/dbraw/zinc/71/73/04/523717304.db2.gz JXLXOTHNGGCXCB-AWEZNQCLSA-N 1 0 298.339 1.223 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000068803192 524580258 /nfs/dbraw/zinc/58/02/58/524580258.db2.gz BSUTYJSGTIZSIZ-CQSZACIVSA-N 1 0 292.383 1.239 20 5 CDBDRO C[C@H]([NH3+])CCC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000070316066 524831496 /nfs/dbraw/zinc/83/14/96/524831496.db2.gz SBMBLYHSTZYLAL-VIFPVBQESA-N 1 0 251.286 1.338 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000063170464 524833347 /nfs/dbraw/zinc/83/33/47/524833347.db2.gz UCYPMYZPGDGIAW-QBBOHKLWSA-N 1 0 263.297 1.462 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000070172316 525011635 /nfs/dbraw/zinc/01/16/35/525011635.db2.gz CPLSGFVIHAOLNR-RKDXNWHRSA-N 1 0 283.353 1.856 20 5 CDBDRO Cc1cnc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)s1 ZINC000184993497 526124316 /nfs/dbraw/zinc/12/43/16/526124316.db2.gz JWRRGUJWGZRHAK-SECBINFHSA-N 1 0 281.341 1.907 20 5 CDBDRO O=[N+]([O-])c1cccc(CNC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000051634363 527386657 /nfs/dbraw/zinc/38/66/57/527386657.db2.gz UXRAOCCISTXRMC-CQSZACIVSA-N 1 0 279.340 1.141 20 5 CDBDRO O=[N+]([O-])c1cnn(CCN2CC[NH+](C3CCCC3)CC2)c1 ZINC000157600490 527414696 /nfs/dbraw/zinc/41/46/96/527414696.db2.gz NZOOSCFVSBRFPL-UHFFFAOYSA-N 1 0 293.371 1.352 20 5 CDBDRO CC[NH2+]CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000269144491 535464029 /nfs/dbraw/zinc/46/40/29/535464029.db2.gz FQZQUESWQPCDEK-UHFFFAOYSA-N 1 0 279.340 1.598 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCC[C@H]1C[NH3+] ZINC000261578351 535971011 /nfs/dbraw/zinc/97/10/11/535971011.db2.gz DEUBAOCOEBTBQX-UWVGGRQHSA-N 1 0 267.333 1.659 20 5 CDBDRO CCc1nn(C)c(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000227824000 536182851 /nfs/dbraw/zinc/18/28/51/536182851.db2.gz MASNUNLULSBQRD-RYUDHWBXSA-N 1 0 293.371 1.929 20 5 CDBDRO COc1ccc(NC(=O)CC2(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000423726971 536757678 /nfs/dbraw/zinc/75/76/78/536757678.db2.gz QRRUJBVCTAYNHH-UHFFFAOYSA-N 1 0 279.296 1.671 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](CO)C1CC1 ZINC000771811861 575617032 /nfs/dbraw/zinc/61/70/32/575617032.db2.gz FDRRGLOCBXKSCY-NSHDSACASA-N 1 0 293.323 1.202 20 5 CDBDRO C[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000742234632 575938720 /nfs/dbraw/zinc/93/87/20/575938720.db2.gz GAYHDNYXGIOBER-ZCRIDZFUSA-N 1 0 289.335 1.771 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCn2cccn2)c1 ZINC000749670251 576957026 /nfs/dbraw/zinc/95/70/26/576957026.db2.gz JYXASUIELSWHRF-AWEZNQCLSA-N 1 0 290.323 1.505 20 5 CDBDRO C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925640741 617584456 /nfs/dbraw/zinc/58/44/56/617584456.db2.gz IZHGLECCDFBRRC-AAEUAGOBSA-N 1 0 291.351 1.784 20 5 CDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000931044389 617588925 /nfs/dbraw/zinc/58/89/25/617588925.db2.gz AQMWDDWTLJHTBH-QWHCGFSZSA-N 1 0 293.367 1.998 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CCC(c2c[nH]cn2)CC1 ZINC000892856806 617834603 /nfs/dbraw/zinc/83/46/03/617834603.db2.gz WGXXTMYNUMRJNW-UHFFFAOYSA-N 1 0 276.300 1.435 20 5 CDBDRO C[NH2+]CCCNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000891962159 617893615 /nfs/dbraw/zinc/89/36/15/617893615.db2.gz OXFDISKZAHIPGC-UHFFFAOYSA-N 1 0 280.328 1.312 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000893120510 618200794 /nfs/dbraw/zinc/20/07/94/618200794.db2.gz ZZFPWFVZOOHVDA-JTQLQIEISA-N 1 0 294.311 1.891 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NCC[C@@H]1CCC[N@H+](C)C1 ZINC000894168164 618647846 /nfs/dbraw/zinc/64/78/46/618647846.db2.gz UNACGJQTKNZJSQ-JTQLQIEISA-N 1 0 267.333 1.472 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841103924 618682887 /nfs/dbraw/zinc/68/28/87/618682887.db2.gz SRKIJDBMSNPLHH-LURJTMIESA-N 1 0 272.692 1.717 20 5 CDBDRO Cc1nnc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)s1 ZINC000894454080 618891567 /nfs/dbraw/zinc/89/15/67/618891567.db2.gz MXBLJVVBVIIANW-UHFFFAOYSA-N 1 0 293.352 1.720 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@H]2CO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000895125258 619320613 /nfs/dbraw/zinc/32/06/13/619320613.db2.gz SOSWGHGPVWYXNP-WCBMZHEXSA-N 1 0 282.296 1.576 20 5 CDBDRO CO[C@@H](C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000224152859 620857651 /nfs/dbraw/zinc/85/76/51/620857651.db2.gz MWGSABNMNGRLMR-JOYOIKCWSA-N 1 0 254.286 1.253 20 5 CDBDRO CCO[C@H]1CCC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000902882394 625568281 /nfs/dbraw/zinc/56/82/81/625568281.db2.gz RAHBNDCXHPXVAW-AAEUAGOBSA-N 1 0 282.344 1.729 20 5 CDBDRO O=[N+]([O-])CCNC1CC[NH+](Cc2ccccc2)CC1 ZINC000899856504 622492035 /nfs/dbraw/zinc/49/20/35/622492035.db2.gz VBWZSUKQJUECJC-UHFFFAOYSA-N 1 0 263.341 1.517 20 5 CDBDRO CN1CC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000903317082 625970474 /nfs/dbraw/zinc/97/04/74/625970474.db2.gz JHVKVRMSZITSFF-JHJVBQTASA-N 1 0 293.371 1.569 20 5 CDBDRO CCc1noc(-c2ccc(CC[NH2+]CC[N+](=O)[O-])cc2)n1 ZINC000905097905 626637701 /nfs/dbraw/zinc/63/77/01/626637701.db2.gz OFLCJDNGYYFRPU-UHFFFAOYSA-N 1 0 290.323 1.708 20 5 CDBDRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]CC[N+](=O)[O-])C1CC1 ZINC000905189349 626667842 /nfs/dbraw/zinc/66/78/42/626667842.db2.gz IGBSEZBPDOATJU-JTQLQIEISA-N 1 0 273.333 1.156 20 5 CDBDRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+]CC[N+](=O)[O-] ZINC000905215330 626695802 /nfs/dbraw/zinc/69/58/02/626695802.db2.gz NMAPACHYBFTTNH-GFCCVEGCSA-N 1 0 264.325 1.981 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000905278042 626733100 /nfs/dbraw/zinc/73/31/00/626733100.db2.gz BFVLWJOZNAMOTL-ZYHUDNBSSA-N 1 0 251.286 1.168 20 5 CDBDRO CC(C)[C@H]1C[N@H+](C)CCN1Cn1cc([N+](=O)[O-])cn1 ZINC000153646118 631764993 /nfs/dbraw/zinc/76/49/93/631764993.db2.gz QUWQTNLSCHGTGO-GFCCVEGCSA-N 1 0 267.333 1.021 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]CCO)c([N+](=O)[O-])c1 ZINC001170299283 1162328550 /nfs/dbraw/zinc/32/85/50/1162328550.db2.gz URSUUSQHIILSBX-SECBINFHSA-N 1 0 254.286 1.116 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]CC2OCCO2)c([N+](=O)[O-])c1 ZINC001170304235 1162329458 /nfs/dbraw/zinc/32/94/58/1162329458.db2.gz AADUSAOSIKUERQ-SNVBAGLBSA-N 1 0 296.323 1.497 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC001170318293 1162336885 /nfs/dbraw/zinc/33/68/85/1162336885.db2.gz OFEGZXJDHMPDKK-BONVTDFDSA-N 1 0 294.351 1.895 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]([NH3+])[C@@H]2C)n1 ZINC001157739635 1162367930 /nfs/dbraw/zinc/36/79/30/1162367930.db2.gz DGHCJEPZCSARGG-QWRGUYRKSA-N 1 0 264.329 1.923 20 5 CDBDRO CCOc1cc([N+](=O)[O-])ccc1NCCN(C)CC[NH3+] ZINC001170502432 1162663992 /nfs/dbraw/zinc/66/39/92/1162663992.db2.gz WNIKEPYLBLIPDX-UHFFFAOYSA-N 1 0 282.344 1.296 20 5 CDBDRO CN(CC[NH3+])CCNc1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC001170502657 1162665065 /nfs/dbraw/zinc/66/50/65/1162665065.db2.gz HNSAMXZYDNEOQV-QPJJXVBHSA-N 1 0 298.774 1.890 20 5 CDBDRO COc1cc(-n2cnc3ccc(C[NH3+])cc32)ncc1[N+](=O)[O-] ZINC001158006631 1162674962 /nfs/dbraw/zinc/67/49/62/1162674962.db2.gz ZQIFFQZSHRBULA-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO COc1cc(C)c([N+](=O)[O-])cc1N[C@@H](C)[C@H]1C[NH2+]CCO1 ZINC001170567121 1162941755 /nfs/dbraw/zinc/94/17/55/1162941755.db2.gz JEOKLEZIMCSCAP-IINYFYTJSA-N 1 0 295.339 1.701 20 5 CDBDRO COc1cccc(N[C@H](C)[C@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001170567603 1162937465 /nfs/dbraw/zinc/93/74/65/1162937465.db2.gz KUEMSUSLUMROQX-BXKDBHETSA-N 1 0 281.312 1.392 20 5 CDBDRO CC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168998572 1161997000 /nfs/dbraw/zinc/99/70/00/1161997000.db2.gz OSMZYOSZJXFKJI-SYQHCUMBSA-N 1 0 283.372 1.469 20 5 CDBDRO COc1nc(N[C@H]2C[NH2+]CC[C@H]2F)ccc1[N+](=O)[O-] ZINC001157445964 1162088676 /nfs/dbraw/zinc/08/86/76/1162088676.db2.gz PGQBMXOBVXBNNR-SFYZADRCSA-N 1 0 270.264 1.110 20 5 CDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877165910 1165986799 /nfs/dbraw/zinc/98/67/99/1165986799.db2.gz MRYKXJRNXPKOOD-KOAHQYBUSA-N 1 0 273.292 1.181 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)cc1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001155482784 1167191003 /nfs/dbraw/zinc/19/10/03/1167191003.db2.gz DPKXYRXTJWGUGY-SOCHQFKDSA-N 1 0 298.730 1.290 20 5 CDBDRO Cc1c(C)c(NC[C@@]23C[NH2+][C@@H](CO2)C3)ncc1[N+](=O)[O-] ZINC001155543452 1167223475 /nfs/dbraw/zinc/22/34/75/1167223475.db2.gz HSRQVUFEDHCNSB-ZWNOBZJWSA-N 1 0 278.312 1.149 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@H]2C[NH2+]Cc3ccsc32)c1 ZINC001155558427 1167230906 /nfs/dbraw/zinc/23/09/06/1167230906.db2.gz CFHLFFIUBVOLNI-JTQLQIEISA-N 1 0 292.320 1.546 20 5 CDBDRO Cc1ccnc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001155621536 1167262083 /nfs/dbraw/zinc/26/20/83/1167262083.db2.gz WVBZAALMNTWDGT-SMDDNHRTSA-N 1 0 292.339 1.621 20 5 CDBDRO C[C@@H](NC[C@@]1(O)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC001573571438 1170696148 /nfs/dbraw/zinc/69/61/48/1170696148.db2.gz JOTFWADVNGGUTB-BXUZGUMPSA-N 1 0 279.340 1.360 20 5 CDBDRO C[C@H](C[NH2+]Cc1ccc(N)nn1)c1ccccc1[N+](=O)[O-] ZINC001576032303 1171317183 /nfs/dbraw/zinc/31/71/83/1171317183.db2.gz BRYWYXQODRXCMM-SNVBAGLBSA-N 1 0 287.323 1.860 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001578604245 1171960839 /nfs/dbraw/zinc/96/08/39/1171960839.db2.gz FVIDSGWAAHXBHY-JTQLQIEISA-N 1 0 297.742 1.611 20 5 CDBDRO C[NH2+]CCCN(C)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001578686923 1171982185 /nfs/dbraw/zinc/98/21/85/1171982185.db2.gz CQIFPLZAYCFSDU-UHFFFAOYSA-N 1 0 278.356 1.914 20 5 CDBDRO Cc1c(CNC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC001579534357 1172206751 /nfs/dbraw/zinc/20/67/51/1172206751.db2.gz GNUMVOSHSJQBAJ-CABZTGNLSA-N 1 0 292.339 1.534 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2C[C@@H]([NH3+])C23CCC3)n1 ZINC001579642503 1172233234 /nfs/dbraw/zinc/23/32/34/1172233234.db2.gz IQNCAUNHQVJECE-VXGBXAGGSA-N 1 0 290.323 1.298 20 5 CDBDRO Cn1cc([N+](=O)[O-])c(N2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC001579970155 1172311641 /nfs/dbraw/zinc/31/16/41/1172311641.db2.gz PYGRPMXRPHQNTD-NSHDSACASA-N 1 0 279.344 1.154 20 5 CDBDRO Cc1cc(N2C[C@H](C[NH3+])C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000135408185 1175824224 /nfs/dbraw/zinc/82/42/24/1175824224.db2.gz JBJBNLDHSYGMFA-UWVGGRQHSA-N 1 0 250.302 1.472 20 5 CDBDRO CN(C)C(C)(C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158634545 1178226582 /nfs/dbraw/zinc/22/65/82/1178226582.db2.gz FAZUZYKYYJWFKN-CYBMUJFWSA-N 1 0 281.356 1.558 20 5 CDBDRO COCC[C@@H]([NH3+])C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000159749049 1178248551 /nfs/dbraw/zinc/24/85/51/1178248551.db2.gz PCKIMZZVTQHWRJ-SNVBAGLBSA-N 1 0 281.312 1.514 20 5 CDBDRO O=[N+]([O-])c1ccccc1Cn1cc(C[NH2+]CC2CC2)nn1 ZINC000162002228 1179122367 /nfs/dbraw/zinc/12/23/67/1179122367.db2.gz OSZUKNMXEIOTJV-UHFFFAOYSA-N 1 0 287.323 1.734 20 5 CDBDRO C[N@H+](CCNC(=O)C(C)(C)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001753039111 1182202077 /nfs/dbraw/zinc/20/20/77/1182202077.db2.gz NJJHZIBLXKGWDI-UHFFFAOYSA-N 1 0 297.330 1.891 20 5 CDBDRO CC[N@@H+](C/C=C/Cl)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001752181522 1184833163 /nfs/dbraw/zinc/83/31/63/1184833163.db2.gz BICRZGOTBMTXTI-UQRCUPDISA-N 1 0 289.763 1.232 20 5 CDBDRO Cc1cnc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000408068097 719155298 /nfs/dbraw/zinc/15/52/98/719155298.db2.gz RKRZROQHNRARDO-WDEREUQCSA-N 1 0 264.329 1.827 20 5 CDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000154059099 719372437 /nfs/dbraw/zinc/37/24/37/719372437.db2.gz VNSLRFGAIYZINC-WDEREUQCSA-N 1 0 298.730 1.162 20 5 CDBDRO CN(CC1CC[NH+](C)CC1)c1ncc([N+](=O)[O-])cc1N ZINC001165043252 721936320 /nfs/dbraw/zinc/93/63/20/721936320.db2.gz SANDFOMIAOLWPQ-UHFFFAOYSA-N 1 0 279.344 1.350 20 5 CDBDRO Cc1c(C[NH2+][C@@H](CO)CCF)cccc1[N+](=O)[O-] ZINC000873132616 739240929 /nfs/dbraw/zinc/24/09/29/739240929.db2.gz AFFGXSYPZXQMEQ-LLVKDONJSA-N 1 0 256.277 1.713 20 5 CDBDRO C[C@H]1CCC[C@@](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])([NH+](C)C)C1 ZINC000839570599 739278214 /nfs/dbraw/zinc/27/82/14/739278214.db2.gz GLRVLVQCGOUDTA-FMCLSXCISA-N 1 0 283.372 1.278 20 5 CDBDRO CC(C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001021846601 739444562 /nfs/dbraw/zinc/44/45/62/739444562.db2.gz ZWMHZCFCBRBWPY-BETUJISGSA-N 1 0 291.351 1.988 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000825201039 739752399 /nfs/dbraw/zinc/75/23/99/739752399.db2.gz IJUORYIVFVVHRX-RKDXNWHRSA-N 1 0 278.312 1.034 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCCO2)cc1 ZINC000105908958 739813615 /nfs/dbraw/zinc/81/36/15/739813615.db2.gz PEUTUFPLOXTZOB-CHWSQXEVSA-N 1 0 266.297 1.397 20 5 CDBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCOC[C@H]2O)cccc1[N+](=O)[O-] ZINC000872141183 739820763 /nfs/dbraw/zinc/82/07/63/739820763.db2.gz PFMOTDGKZSZMCO-MPKXVKKWSA-N 1 0 280.324 1.704 20 5 CDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823306160 740010716 /nfs/dbraw/zinc/01/07/16/740010716.db2.gz RLSRSMIUDMHSBX-LLVKDONJSA-N 1 0 273.377 1.524 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CC[NH2+]C2)c1 ZINC000262028210 740224529 /nfs/dbraw/zinc/22/45/29/740224529.db2.gz GQMAAVKQQJLMOT-VIFPVBQESA-N 1 0 255.705 1.700 20 5 CDBDRO CC(=O)N[C@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000817282032 740263236 /nfs/dbraw/zinc/26/32/36/740263236.db2.gz BAQOYRMFEZESSR-LBPRGKRZSA-N 1 0 281.287 1.444 20 5 CDBDRO CCN(CC)C(=O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668630 740324654 /nfs/dbraw/zinc/32/46/54/740324654.db2.gz NDEVLBSTPFNTOO-UHFFFAOYSA-N 1 0 265.313 1.553 20 5 CDBDRO Cn1nccc1CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000231033720 740508261 /nfs/dbraw/zinc/50/82/61/740508261.db2.gz OXTKJICNWZEZMY-UHFFFAOYSA-N 1 0 266.326 1.722 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)CN(C)C ZINC000866262561 740585455 /nfs/dbraw/zinc/58/54/55/740585455.db2.gz BUYNROVAJDFDOS-MFKMUULPSA-N 1 0 299.346 1.177 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1CC[N+](=O)[O-] ZINC000930147302 740577753 /nfs/dbraw/zinc/57/77/53/740577753.db2.gz BWPGIHLTNWYEDD-KGLIPLIRSA-N 1 0 277.368 1.858 20 5 CDBDRO [NH3+]CCCCCc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000823269997 740755030 /nfs/dbraw/zinc/75/50/30/740755030.db2.gz MQLFUNDYUCULCY-UHFFFAOYSA-N 1 0 266.257 1.909 20 5 CDBDRO C[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000819010427 740806080 /nfs/dbraw/zinc/80/60/80/740806080.db2.gz DBTPEOFZELYPBH-IAQYHMDHSA-N 1 0 293.367 1.701 20 5 CDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000787101455 740873088 /nfs/dbraw/zinc/87/30/88/740873088.db2.gz IHSGXMUWCIWLBC-JTQLQIEISA-N 1 0 292.339 1.249 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCCC[C@H]2O)c1 ZINC000779472353 740876877 /nfs/dbraw/zinc/87/68/77/740876877.db2.gz YOIASEQCIOPWGN-MGPQQGTHSA-N 1 0 280.324 1.521 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](C)([NH3+])C1 ZINC000700960977 740938268 /nfs/dbraw/zinc/93/82/68/740938268.db2.gz KFAYLRNQWYTXSK-ZDUSSCGKSA-N 1 0 279.296 1.167 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1-c1nc(C2CC[NH2+]CC2)no1 ZINC000843137967 740990838 /nfs/dbraw/zinc/99/08/38/740990838.db2.gz RUOBPDWLJSCSRP-UHFFFAOYSA-N 1 0 277.284 1.450 20 5 CDBDRO Cc1cc(F)cc(C(=O)NC[C@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000843347496 741027002 /nfs/dbraw/zinc/02/70/02/741027002.db2.gz UEDJQTLTFLOGKV-NSHDSACASA-N 1 0 283.303 1.755 20 5 CDBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000840120768 741222672 /nfs/dbraw/zinc/22/26/72/741222672.db2.gz OFEBYNABHPCFJG-YRGRVCCFSA-N 1 0 294.355 1.683 20 5 CDBDRO O=C(NC1C[NH+](CC2CC3(CCC3)C2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001030294175 741461951 /nfs/dbraw/zinc/46/19/51/741461951.db2.gz ZNQWDHALSRHXSK-CHWSQXEVSA-N 1 0 293.367 1.032 20 5 CDBDRO CC(C)[NH2+]Cc1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000090299875 741826302 /nfs/dbraw/zinc/82/63/02/741826302.db2.gz RMENIEBVPYLEGX-UHFFFAOYSA-N 1 0 261.285 1.674 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CCCCC[NH3+] ZINC000827463521 741829878 /nfs/dbraw/zinc/82/98/78/741829878.db2.gz CKPNGXVMDLDGKB-UHFFFAOYSA-N 1 0 295.339 1.739 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000886280723 741853619 /nfs/dbraw/zinc/85/36/19/741853619.db2.gz JQKORVFAEWDOFP-WDEREUQCSA-N 1 0 263.297 1.383 20 5 CDBDRO C[C@@H]([NH3+])c1cn(Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000124298959 741867391 /nfs/dbraw/zinc/86/73/91/741867391.db2.gz MGVQSANZFJFNAZ-SSDOTTSWSA-N 1 0 281.703 1.908 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CC[NH2+][C@H]1C)CC2 ZINC000843492872 741933326 /nfs/dbraw/zinc/93/33/26/741933326.db2.gz AFAFAVBXYJNBKS-CMPLNLGQSA-N 1 0 289.335 1.790 20 5 CDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCCC1 ZINC000059181492 742294374 /nfs/dbraw/zinc/29/43/74/742294374.db2.gz HWGRZNDWQDOFJA-VMPITWQZSA-N 1 0 289.335 1.820 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000882492172 742373738 /nfs/dbraw/zinc/37/37/38/742373738.db2.gz PWJXUVQWIBOKJM-FZMZJTMJSA-N 1 0 291.351 1.909 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834809348 742443438 /nfs/dbraw/zinc/44/34/38/742443438.db2.gz NGVQALHAMMLEIE-QMMMGPOBSA-N 1 0 266.301 1.034 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000823270846 739262404 /nfs/dbraw/zinc/26/24/04/739262404.db2.gz VZOVLWBBWNDIKJ-BQBZGAKWSA-N 1 0 264.241 1.703 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H](CCCO)C2)c1 ZINC000832783335 739275706 /nfs/dbraw/zinc/27/57/06/739275706.db2.gz QCJGMHNVAQHELX-SWLSCSKDSA-N 1 0 294.351 1.723 20 5 CDBDRO C[C@@H](CN1CCOCC1)Nc1cccc(F)c1[N+](=O)[O-] ZINC000048805687 739290511 /nfs/dbraw/zinc/29/05/11/739290511.db2.gz QGFZHLZJANKYBG-JTQLQIEISA-N 1 0 283.303 1.867 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000843056419 739369016 /nfs/dbraw/zinc/36/90/16/739369016.db2.gz JGQHJXNWGROUFH-ZANVPECISA-N 1 0 299.758 1.796 20 5 CDBDRO [NH3+]C1CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000131752352 739373556 /nfs/dbraw/zinc/37/35/56/739373556.db2.gz PJTVTDCMTKRISN-UHFFFAOYSA-N 1 0 293.323 1.360 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CC3(C2)OCCO3)c(F)c1 ZINC000922798950 739474358 /nfs/dbraw/zinc/47/43/58/739474358.db2.gz JYWWMPOCCTVJQB-UHFFFAOYSA-N 1 0 296.298 1.977 20 5 CDBDRO CN(C)C1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000097930852 739834586 /nfs/dbraw/zinc/83/45/86/739834586.db2.gz FTQBABRMBLMJSF-AWEZNQCLSA-N 1 0 293.367 1.702 20 5 CDBDRO CN1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C[NH3+])C1 ZINC000843121037 739854346 /nfs/dbraw/zinc/85/43/46/739854346.db2.gz YXDRLVPYVIVFMJ-LBPRGKRZSA-N 1 0 298.774 1.323 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCN2CC[C@H](O)C2)c1 ZINC000858338622 739945600 /nfs/dbraw/zinc/94/56/00/739945600.db2.gz ITBXFNVBDYAKFT-LBPRGKRZSA-N 1 0 299.758 1.404 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)OCCC[NH+]1CCCC1 ZINC000800195485 740030555 /nfs/dbraw/zinc/03/05/55/740030555.db2.gz JLMIVRUSENICBH-UHFFFAOYSA-N 1 0 293.323 1.820 20 5 CDBDRO CC[S@](=O)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000132777476 740047822 /nfs/dbraw/zinc/04/78/22/740047822.db2.gz ASLFFAAMOICURG-GOSISDBHSA-N 1 0 270.354 1.496 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000886241235 740234246 /nfs/dbraw/zinc/23/42/46/740234246.db2.gz RRASXEUCCMLGCN-GFCCVEGCSA-N 1 0 277.324 1.869 20 5 CDBDRO CN(C(=O)c1cc([N+](=O)[O-])cn1C)C1CCC([NH3+])CC1 ZINC000091845464 740300954 /nfs/dbraw/zinc/30/09/54/740300954.db2.gz YDWHBPHJOJVRTC-UHFFFAOYSA-N 1 0 280.328 1.275 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[C@H]1[NH3+] ZINC000843470813 740301635 /nfs/dbraw/zinc/30/16/35/740301635.db2.gz DKJRFQTVWWPQLT-BXKDBHETSA-N 1 0 292.339 1.376 20 5 CDBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1N)[NH+](C)C ZINC000700419078 740670051 /nfs/dbraw/zinc/67/00/51/740670051.db2.gz LWSPWHROEOXSLL-SECBINFHSA-N 1 0 280.328 1.247 20 5 CDBDRO [NH3+][C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CCC1 ZINC000817959325 740735266 /nfs/dbraw/zinc/73/52/66/740735266.db2.gz AWCUBZQCKDBSBB-GFCCVEGCSA-N 1 0 297.742 1.992 20 5 CDBDRO C[NH2+]C[C@@H](C)c1noc(CNc2ccccc2[N+](=O)[O-])n1 ZINC000842580870 740895598 /nfs/dbraw/zinc/89/55/98/740895598.db2.gz IXXCTRQQNQIYHM-SECBINFHSA-N 1 0 291.311 1.913 20 5 CDBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC001021761504 740998356 /nfs/dbraw/zinc/99/83/56/740998356.db2.gz WVXXISSJKVKLSI-BETUJISGSA-N 1 0 289.335 1.742 20 5 CDBDRO CC[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000776596481 741067849 /nfs/dbraw/zinc/06/78/49/741067849.db2.gz FCCCCJNHJNSEDF-SWHYSGLUSA-N 1 0 280.324 1.331 20 5 CDBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591492 741085182 /nfs/dbraw/zinc/08/51/82/741085182.db2.gz QYHWMUIILAFTMU-KBPBESRZSA-N 1 0 294.351 1.864 20 5 CDBDRO C[C@H]([NH2+]C[C@@H](O)C1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834904996 741120928 /nfs/dbraw/zinc/12/09/28/741120928.db2.gz DQTIXGJGXOEJID-LKFCYVNXSA-N 1 0 279.340 1.989 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823993676 741597948 /nfs/dbraw/zinc/59/79/48/741597948.db2.gz IPHODOVBNIMQPJ-UHFFFAOYSA-N 1 0 295.343 1.639 20 5 CDBDRO C[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000923288396 741669216 /nfs/dbraw/zinc/66/92/16/741669216.db2.gz JJBURGXHGIMWRR-DFBGVHRSSA-N 1 0 293.367 1.687 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccncc2)cc1 ZINC000105909048 741851622 /nfs/dbraw/zinc/85/16/22/741851622.db2.gz SFWPPQFJNIRTPS-AWEZNQCLSA-N 1 0 273.292 1.813 20 5 CDBDRO C[NH+](C)CCCS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1 ZINC000866374151 741885811 /nfs/dbraw/zinc/88/58/11/741885811.db2.gz DFJDHXCUSCKMQQ-UHFFFAOYSA-N 1 0 288.325 1.255 20 5 CDBDRO O=[N+]([O-])c1ccc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1Cl ZINC000841078971 741974000 /nfs/dbraw/zinc/97/40/00/741974000.db2.gz GFQCWNFCMZUFPM-GDGBQDQQSA-N 1 0 267.716 1.556 20 5 CDBDRO Cc1nc([N+](=O)[O-])c(-c2noc(C[NH2+]CC3CC3)n2)n1C ZINC000843221252 742013347 /nfs/dbraw/zinc/01/33/47/742013347.db2.gz GIWURIDQNPHQKA-UHFFFAOYSA-N 1 0 292.299 1.186 20 5 CDBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000886162256 742021731 /nfs/dbraw/zinc/02/17/31/742021731.db2.gz KWBZQTFFYQNXFA-HAQNSBGRSA-N 1 0 265.313 1.725 20 5 CDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000226723542 742054498 /nfs/dbraw/zinc/05/44/98/742054498.db2.gz IDNKVKHMPGLBQW-FRRDWIJNSA-N 1 0 280.324 1.377 20 5 CDBDRO C[C@H]1C[N@H+](C)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000408114322 742358241 /nfs/dbraw/zinc/35/82/41/742358241.db2.gz XAPAOJYUYSWKPN-QMMMGPOBSA-N 1 0 281.341 1.444 20 5 CDBDRO C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000923288128 742359455 /nfs/dbraw/zinc/35/94/55/742359455.db2.gz HPXVLVYJPCXHOE-SWHYSGLUSA-N 1 0 279.340 1.297 20 5 CDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[N@@H+]2CC[C@H]1C2 ZINC000597709096 742468421 /nfs/dbraw/zinc/46/84/21/742468421.db2.gz UHXQOQQYURIMQV-LBPRGKRZSA-N 1 0 293.298 1.193 20 5 CDBDRO CC1(C)COCCN1CCNc1ccnc(F)c1[N+](=O)[O-] ZINC000881916468 742695506 /nfs/dbraw/zinc/69/55/06/742695506.db2.gz ZXZGIJZIFGQSCA-UHFFFAOYSA-N 1 0 298.318 1.652 20 5 CDBDRO CC[N@H+](CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000819916456 742720094 /nfs/dbraw/zinc/72/00/94/742720094.db2.gz NRNWPFBJFLQENC-UHFFFAOYSA-N 1 0 278.312 1.600 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCCOCC2)cc1 ZINC000313433219 742802293 /nfs/dbraw/zinc/80/22/93/742802293.db2.gz ZKCCCEXLBMNOMQ-JSGCOSHPSA-N 1 0 280.324 1.787 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC2COC2)c1F ZINC001173174947 912282470 /nfs/dbraw/zinc/28/24/70/912282470.db2.gz HEOOGXWFFLURCL-SECBINFHSA-N 1 0 298.314 1.910 20 5 CDBDRO C=CC(=O)NCC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173233928 912324326 /nfs/dbraw/zinc/32/43/26/912324326.db2.gz LPMSLMXKPPPWFE-NSHDSACASA-N 1 0 277.324 1.418 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1OCCO1 ZINC001173232160 912328079 /nfs/dbraw/zinc/32/80/79/912328079.db2.gz DFCHBAWRFCVIBQ-SNVBAGLBSA-N 1 0 266.297 1.488 20 5 CDBDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173233950 912326122 /nfs/dbraw/zinc/32/61/22/912326122.db2.gz LZKPDLQVKAQDAO-RISCZKNCSA-N 1 0 291.351 1.736 20 5 CDBDRO O=[N+]([O-])c1cnc(-n2ccnc2[C@H]2CCC[NH2+]C2)c(F)c1 ZINC001167054430 894044462 /nfs/dbraw/zinc/04/44/62/894044462.db2.gz DAFYENJXOLKPRX-VIFPVBQESA-N 1 0 291.286 1.782 20 5 CDBDRO C[NH2+]CCNc1ncc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001167721884 899289881 /nfs/dbraw/zinc/28/98/81/899289881.db2.gz SGDBWHSWRRTFMM-UHFFFAOYSA-N 1 0 252.318 1.919 20 5 CDBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000695903001 900070403 /nfs/dbraw/zinc/07/04/03/900070403.db2.gz DWIQOAHNSXZADL-RISCZKNCSA-N 1 0 278.356 1.641 20 5 CDBDRO Cc1cc(Cl)c(-n2nnc(CC[NH3+])n2)c([N+](=O)[O-])c1 ZINC001167792352 900803897 /nfs/dbraw/zinc/80/38/97/900803897.db2.gz DFERYOOJTPXBGJ-UHFFFAOYSA-N 1 0 282.691 1.034 20 5 CDBDRO CN(c1ncc(Cl)cc1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC000714242973 906813631 /nfs/dbraw/zinc/81/36/31/906813631.db2.gz ILYPRPIYFDHECZ-UHFFFAOYSA-N 1 0 258.709 1.817 20 5 CDBDRO CC1(Nc2cnc(F)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC001168188357 907773939 /nfs/dbraw/zinc/77/39/39/907773939.db2.gz SHJZLVHOYCPLKR-UHFFFAOYSA-N 1 0 254.265 1.683 20 5 CDBDRO COC(=O)c1ncc([N+](=O)[O-])cc1NC1(C)CC[NH2+]CC1 ZINC001168188845 907786066 /nfs/dbraw/zinc/78/60/66/907786066.db2.gz DRGRKJGJSNXPFJ-UHFFFAOYSA-N 1 0 294.311 1.330 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168227106 907943368 /nfs/dbraw/zinc/94/33/68/907943368.db2.gz VNRFGSXKJIFZCX-SFYZADRCSA-N 1 0 270.264 1.110 20 5 CDBDRO Cc1cnc(N[C@H]2C[NH2+]CC[C@H]2F)cc1[N+](=O)[O-] ZINC001168226981 907943522 /nfs/dbraw/zinc/94/35/22/907943522.db2.gz RIDISUDPKDWTFV-BDAKNGLRSA-N 1 0 254.265 1.410 20 5 CDBDRO [NH3+]Cc1cnn(-c2cc([N+](=O)[O-])cc3cc[nH]c32)c1 ZINC001168262808 908034115 /nfs/dbraw/zinc/03/41/15/908034115.db2.gz XMJRFPUYJSHRPJ-UHFFFAOYSA-N 1 0 257.253 1.721 20 5 CDBDRO CCOC(=O)[C@H]1CC[C@H](OCCC[N+](C)(C)C)C1 ZINC001224620999 909975878 /nfs/dbraw/zinc/97/58/78/909975878.db2.gz HIHJZDOHOYWATQ-STQMWFEESA-N 1 0 258.382 1.831 20 5 CDBDRO [NH3+]CC1(N[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)COC1 ZINC001172901159 912038393 /nfs/dbraw/zinc/03/83/93/912038393.db2.gz KFASPJNGAXMKEU-ZDUSSCGKSA-N 1 0 291.351 1.160 20 5 CDBDRO NC(=O)C1C[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172914853 912050876 /nfs/dbraw/zinc/05/08/76/912050876.db2.gz KLBZHJWVEPYUCR-ZDUSSCGKSA-N 1 0 289.335 1.259 20 5 CDBDRO [NH3+][C@H]1COC[C@H]1Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001162921025 923270281 /nfs/dbraw/zinc/27/02/81/923270281.db2.gz JMMRMCXUKYNJOP-DTWKUNHWSA-N 1 0 291.229 1.752 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000839192627 936908659 /nfs/dbraw/zinc/90/86/59/936908659.db2.gz LPPJXSXYVZAWGV-VHDGCEQUSA-N 1 0 292.335 1.739 20 5 CDBDRO CCCN(CC[NH+]1CCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839762003 936923887 /nfs/dbraw/zinc/92/38/87/936923887.db2.gz OFYRYSSPMCKNQS-CHWSQXEVSA-N 1 0 283.372 1.376 20 5 CDBDRO [NH3+]CCON=c1[nH]cc(F)c2cc([N+](=O)[O-])ccc21 ZINC001164414517 924876816 /nfs/dbraw/zinc/87/68/16/924876816.db2.gz KANKWYDTEMIBRA-UHFFFAOYSA-N 1 0 266.232 1.584 20 5 CDBDRO C[NH+](C)C[C@]12C[C@H]1CN(c1ncc([N+](=O)[O-])cc1F)C2 ZINC001165185305 924997463 /nfs/dbraw/zinc/99/74/63/924997463.db2.gz VUULIIJSPSUBEM-ZANVPECISA-N 1 0 280.303 1.517 20 5 CDBDRO [NH3+]Cc1ccc2ncn(-c3cnc(F)c([N+](=O)[O-])c3)c2c1 ZINC001168848879 927510433 /nfs/dbraw/zinc/51/04/33/927510433.db2.gz ZHAOSBJUDPDKKE-UHFFFAOYSA-N 1 0 287.254 1.927 20 5 CDBDRO CC(=O)N1CCC(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168979205 927564740 /nfs/dbraw/zinc/56/47/40/927564740.db2.gz XEABDACXLYLOLA-KBPBESRZSA-N 1 0 283.372 1.280 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2cncs2)C1 ZINC001168984652 927572962 /nfs/dbraw/zinc/57/29/62/927572962.db2.gz PMPDOYYJUVGBPU-VHSXEESVSA-N 1 0 255.343 1.721 20 5 CDBDRO NC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168962367 927585314 /nfs/dbraw/zinc/58/53/14/927585314.db2.gz LVRAYOHUOFCMNW-MJBXVCDLSA-N 1 0 291.351 1.118 20 5 CDBDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168970713 927593397 /nfs/dbraw/zinc/59/33/97/927593397.db2.gz IQLJPHTUWLUEAJ-FDYHWXHSSA-N 1 0 284.356 1.753 20 5 CDBDRO COCCOCCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168996928 927604038 /nfs/dbraw/zinc/60/40/38/927604038.db2.gz WWXBRGFZCSGYKV-NWDGAFQWSA-N 1 0 260.334 1.075 20 5 CDBDRO C[N@H+](Cc1nnc2ccccn21)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011835 927617072 /nfs/dbraw/zinc/61/70/72/927617072.db2.gz MRGSOZWMIOOUFA-NEPJUHHUSA-N 1 0 289.339 1.607 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](F)[C@@H](O)CC2)C1 ZINC001169013001 927620503 /nfs/dbraw/zinc/62/05/03/927620503.db2.gz SWKWTBGUVXHPFX-KXNHARMFSA-N 1 0 260.309 1.227 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCOC2CCCC2)C1 ZINC001168986956 927622304 /nfs/dbraw/zinc/62/23/04/927622304.db2.gz GOTJMQHAHJCXFF-NEPJUHHUSA-N 1 0 256.346 1.981 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2Oc3ccccc3O2)C1 ZINC001168988936 927626701 /nfs/dbraw/zinc/62/67/01/927626701.db2.gz VCXZOIDGFOJGPW-QWRGUYRKSA-N 1 0 278.308 1.819 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(C3CCOCC3)C2)C1 ZINC001168991227 927629274 /nfs/dbraw/zinc/62/92/74/927629274.db2.gz FYJNJCYDUYQDGL-MCIONIFRSA-N 1 0 297.399 1.275 20 5 CDBDRO CCC(=O)N1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168990633 927630179 /nfs/dbraw/zinc/63/01/79/927630179.db2.gz CVILAZBFSJPJJE-WOPDTQHZSA-N 1 0 269.345 1.032 20 5 CDBDRO CC(=O)C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169034270 927642615 /nfs/dbraw/zinc/64/26/15/927642615.db2.gz GLMBILXUNLTYAV-YPMHNXCESA-N 1 0 254.330 1.733 20 5 CDBDRO O=C1NCCC2(CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)O1 ZINC001169035800 927643883 /nfs/dbraw/zinc/64/38/83/927643883.db2.gz CJTGWQNGDUAXKQ-NWDGAFQWSA-N 1 0 297.355 1.396 20 5 CDBDRO CC(=O)N1CCC([N@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169037743 927646872 /nfs/dbraw/zinc/64/68/72/927646872.db2.gz TXZKUKDYYJZDBS-TZMCWYRMSA-N 1 0 283.372 1.375 20 5 CDBDRO CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169019154 927660117 /nfs/dbraw/zinc/66/01/17/927660117.db2.gz FABWJLSHXQUTFB-WUHRBBMRSA-N 1 0 281.356 1.127 20 5 CDBDRO CN1C(=O)CCC12CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169055818 927673515 /nfs/dbraw/zinc/67/35/15/927673515.db2.gz QNMKGZCNFADUPV-STQMWFEESA-N 1 0 295.383 1.519 20 5 CDBDRO O=C1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]12 ZINC001169057949 927675806 /nfs/dbraw/zinc/67/58/06/927675806.db2.gz ZIBRYQDQRMZTER-LPWJVIDDSA-N 1 0 266.341 1.733 20 5 CDBDRO [NH3+]Cc1cccc2c1cnn2-c1ncc([N+](=O)[O-])cn1 ZINC001169194491 927805442 /nfs/dbraw/zinc/80/54/42/927805442.db2.gz GHGAJNFNOJNPOF-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO C[C@@H]([NH3+])c1ccn(-c2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])n1 ZINC001169227826 927825278 /nfs/dbraw/zinc/82/52/78/927825278.db2.gz FQZHNADIHSYXBC-ZCFIWIBFSA-N 1 0 283.675 1.087 20 5 CDBDRO CC(=O)Nc1ccc(-n2ccc(C[NH3+])c2)cc1[N+](=O)[O-] ZINC001169725697 928346470 /nfs/dbraw/zinc/34/64/70/928346470.db2.gz KNQMZDNQXVPSKS-UHFFFAOYSA-N 1 0 274.280 1.803 20 5 CDBDRO COc1cnc(N2CC[C@@H]([N@H+](C)C(C)C)C2)c([N+](=O)[O-])c1 ZINC001157009067 929103107 /nfs/dbraw/zinc/10/31/07/929103107.db2.gz DIQFNDGAYDZNBY-LLVKDONJSA-N 1 0 294.355 1.917 20 5 CDBDRO COc1cc(NC[C@@H]2COCC[NH2+]2)cc([N+](=O)[O-])c1C ZINC001170042503 929120986 /nfs/dbraw/zinc/12/09/86/929120986.db2.gz AEWXMCLGXQUBTP-LLVKDONJSA-N 1 0 281.312 1.312 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ncc1NC[C@H]1COCC[NH2+]1 ZINC001170043938 929131616 /nfs/dbraw/zinc/13/16/16/929131616.db2.gz YMEQDYLMRQPIOF-ZETCQYMHSA-N 1 0 272.692 1.044 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC001159749342 930803277 /nfs/dbraw/zinc/80/32/77/930803277.db2.gz XOWWECWOZSGPRB-LBPRGKRZSA-N 1 0 277.284 1.007 20 5 CDBDRO Cc1cc(C(=O)NCC[NH+]2CC=CC2)ccc1[N+](=O)[O-] ZINC001322075049 931664345 /nfs/dbraw/zinc/66/43/45/931664345.db2.gz OSTYBXUJAKBTIA-UHFFFAOYSA-N 1 0 275.308 1.505 20 5 CDBDRO COc1nc(C)c(NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC001171192695 931850729 /nfs/dbraw/zinc/85/07/29/931850729.db2.gz KJHIQJZRFVMCOS-UHFFFAOYSA-N 1 0 254.290 1.456 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2ncnc(NC[C@H]3CCCC[NH2+]3)c12 ZINC001171328352 932682197 /nfs/dbraw/zinc/68/21/97/932682197.db2.gz NFVFNSSNPVNCHM-MRVPVSSYSA-N 1 0 276.300 1.372 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2C[C@H](F)C[NH2+]2)c([N+](=O)[O-])c1 ZINC001155034212 937624286 /nfs/dbraw/zinc/62/42/86/937624286.db2.gz WZNBVHXCJJLJBY-BQBZGAKWSA-N 1 0 285.235 1.010 20 5 CDBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1N ZINC001155029195 937623422 /nfs/dbraw/zinc/62/34/22/937623422.db2.gz FBRXITUMEOFVDZ-NXEZZACHSA-N 1 0 279.344 1.620 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001155187918 937646258 /nfs/dbraw/zinc/64/62/58/937646258.db2.gz UTWSPOOYOYHVPT-PSASIEDQSA-N 1 0 273.296 1.700 20 5 CDBDRO C[NH2+]C1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC001121966636 937895109 /nfs/dbraw/zinc/89/51/09/937895109.db2.gz KASPDBVBKLEEHC-UHFFFAOYSA-N 1 0 275.308 1.579 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001122010282 937898735 /nfs/dbraw/zinc/89/87/35/937898735.db2.gz MHDKXIPFPAZGRA-IACUBPJLSA-N 1 0 289.335 1.567 20 5 CDBDRO COc1cnc(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001156385477 938361502 /nfs/dbraw/zinc/36/15/02/938361502.db2.gz MFAXWFSVHCYCRX-QMTHXVAHSA-N 1 0 292.339 1.386 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001156849943 938425817 /nfs/dbraw/zinc/42/58/17/938425817.db2.gz LRPNBPIEBQKYBG-UHFFFAOYSA-N 1 0 295.302 1.872 20 5 CDBDRO [NH3+]Cc1cnn(-c2cc(Cl)cc([N+](=O)[O-])n2)c1 ZINC001157471583 938492183 /nfs/dbraw/zinc/49/21/83/938492183.db2.gz KJQRNHUMVWHMCU-UHFFFAOYSA-N 1 0 253.649 1.288 20 5 CDBDRO Cc1nc(Cl)nc(N2CCC[C@H]([NH3+])[C@@H]2C)c1[N+](=O)[O-] ZINC001157734289 938537725 /nfs/dbraw/zinc/53/77/25/938537725.db2.gz VHTZJXBONDVMGJ-YUMQZZPRSA-N 1 0 285.735 1.663 20 5 CDBDRO [NH3+]C[C@@]1(F)CCN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)C1 ZINC001157816994 938551219 /nfs/dbraw/zinc/55/12/19/938551219.db2.gz ITGGRPRFPMGKLP-LBPRGKRZSA-N 1 0 279.275 1.348 20 5 CDBDRO Cc1ncn(-c2cccc([N+](=O)[O-])n2)c1CSCC[NH3+] ZINC001157961645 938569100 /nfs/dbraw/zinc/56/91/00/938569100.db2.gz LDFIIUGRBWQXRL-UHFFFAOYSA-N 1 0 293.352 1.676 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001158129529 938586104 /nfs/dbraw/zinc/58/61/04/938586104.db2.gz VYLCOCLZQINGGJ-UHFFFAOYSA-N 1 0 298.306 1.533 20 5 CDBDRO CCN(c1nc(OC)nc(C)c1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC001158203651 938594670 /nfs/dbraw/zinc/59/46/70/938594670.db2.gz BHDHFOREWXKCSM-JTQLQIEISA-N 1 0 295.343 1.280 20 5 CDBDRO COC(=O)c1ccnc(NCC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC001158626962 938643453 /nfs/dbraw/zinc/64/34/53/938643453.db2.gz AENFHTUPVZOLCV-SECBINFHSA-N 1 0 294.311 1.330 20 5 CDBDRO Cc1ccnc(N[C@@H](C)[C@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001159497441 938734214 /nfs/dbraw/zinc/73/42/14/938734214.db2.gz NWZBEEGCSRGIOM-VHSXEESVSA-N 1 0 266.301 1.087 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1ncc([N+](=O)[O-])c(C)c1C ZINC001159744118 938749247 /nfs/dbraw/zinc/74/92/47/938749247.db2.gz PBNRYFAYBVRBBP-NSHDSACASA-N 1 0 254.290 1.076 20 5 CDBDRO COc1cc2ncnc(NCC[C@@H](C)[NH3+])c2cc1[N+](=O)[O-] ZINC001159773198 938751491 /nfs/dbraw/zinc/75/14/91/938751491.db2.gz XFZADHLKODDQDQ-MRVPVSSYSA-N 1 0 291.311 1.696 20 5 CDBDRO [NH3+]Cc1nccnc1Nc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001160245849 938776864 /nfs/dbraw/zinc/77/68/64/938776864.db2.gz HVZLPYXSLXXVGR-UHFFFAOYSA-N 1 0 297.278 1.530 20 5 CDBDRO C[N@@H+]1CCC[C@@](C)(Nc2nc(Cl)ncc2[N+](=O)[O-])C1 ZINC001162330557 939025777 /nfs/dbraw/zinc/02/57/77/939025777.db2.gz HAAHRLQFPAJCMY-LLVKDONJSA-N 1 0 285.735 1.934 20 5 CDBDRO O=C1C[C@H](CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)CCN1 ZINC001162336653 939027172 /nfs/dbraw/zinc/02/71/72/939027172.db2.gz GPDSFMFLTJNAKM-SECBINFHSA-N 1 0 290.323 1.136 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](Nc2cnc(F)c([N+](=O)[O-])c2)C1 ZINC001162400985 939045292 /nfs/dbraw/zinc/04/52/92/939045292.db2.gz JWUYZPALKZAOLZ-SFYZADRCSA-N 1 0 254.265 1.811 20 5 CDBDRO O=[N+]([O-])c1cccnc1NCc1noc2c1C[NH2+]CC2 ZINC001163131379 939208656 /nfs/dbraw/zinc/20/86/56/939208656.db2.gz CISMZQCLOQOLLP-UHFFFAOYSA-N 1 0 275.268 1.236 20 5 CDBDRO O=[N+]([O-])c1nccnc1N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001163206047 939225387 /nfs/dbraw/zinc/22/53/87/939225387.db2.gz FGSNWRYLWGHOAW-NEPJUHHUSA-N 1 0 285.307 1.900 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)cn2cnnc12 ZINC001163267259 939235774 /nfs/dbraw/zinc/23/57/74/939235774.db2.gz OVVWKBQOSNDGLQ-MIMYLULJSA-N 1 0 288.311 1.047 20 5 CDBDRO O=[N+]([O-])c1cccnc1NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163278022 939238365 /nfs/dbraw/zinc/23/83/65/939238365.db2.gz GEATXXARZKGCBX-RISCZKNCSA-N 1 0 292.339 1.560 20 5 CDBDRO [NH3+]C[C@@H](Nc1cc([N+](=O)[O-])cc[n+]1[O-])c1ccccc1 ZINC001163292645 939241063 /nfs/dbraw/zinc/24/10/63/939241063.db2.gz VFNAOULXQXIGLJ-GFCCVEGCSA-N 1 0 274.280 1.340 20 5 CDBDRO Cc1nnc(C[NH3+])n1-c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001163350716 939254702 /nfs/dbraw/zinc/25/47/02/939254702.db2.gz FIXAATORDZNEKH-UHFFFAOYSA-N 1 0 292.299 1.125 20 5 CDBDRO C[NH+](C)C1CN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)C1 ZINC001163942828 939359332 /nfs/dbraw/zinc/35/93/32/939359332.db2.gz PBSABUFWYIIDRM-UHFFFAOYSA-N 1 0 299.334 1.802 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2nc(C[NH3+])cc2C)c1 ZINC001163988316 939374408 /nfs/dbraw/zinc/37/44/08/939374408.db2.gz KWKNQZAETOCBJG-UHFFFAOYSA-N 1 0 290.279 1.334 20 5 CDBDRO CCOC(=O)c1cc(NOCC[NH3+])ccc1[N+](=O)[O-] ZINC001164436097 939473395 /nfs/dbraw/zinc/47/33/95/939473395.db2.gz WHFQNCHWBBQBBF-UHFFFAOYSA-N 1 0 269.257 1.074 20 5 CDBDRO COCCC[NH+]1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC001165096667 939509443 /nfs/dbraw/zinc/50/94/43/939509443.db2.gz BQFPCGACIGKOPX-UHFFFAOYSA-N 1 0 294.355 1.457 20 5 CDBDRO [NH3+][C@]12C[C@H]1CN(c1nccc(Cl)c1[N+](=O)[O-])C2 ZINC001165314839 939544537 /nfs/dbraw/zinc/54/45/37/939544537.db2.gz QTMGSXIRGYJELO-WKEGUHRASA-N 1 0 254.677 1.181 20 5 CDBDRO O=[N+]([O-])C[C@@H](OCC[NH+]1CCCCC1)c1cccnc1 ZINC001206709325 939577032 /nfs/dbraw/zinc/57/70/32/939577032.db2.gz HWZOBZIIZSBBJE-CQSZACIVSA-N 1 0 279.340 1.902 20 5 CDBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1ccc(N)c([N+](=O)[O-])c1 ZINC001218031118 941036036 /nfs/dbraw/zinc/03/60/36/941036036.db2.gz MWPCRUSDEZGINT-RNCFNFMXSA-N 1 0 265.313 1.944 20 5 CDBDRO COc1cc(CO[C@@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001223393092 941674647 /nfs/dbraw/zinc/67/46/47/941674647.db2.gz KBVGGFDZPIAEPJ-GFCCVEGCSA-N 1 0 266.297 1.824 20 5 CDBDRO CCOC(=O)c1csc(CO[C@@H](C)C[N+](C)(C)C)n1 ZINC001223944346 941708667 /nfs/dbraw/zinc/70/86/67/941708667.db2.gz OPOPNYIPCXRWPF-JTQLQIEISA-N 1 0 287.405 1.931 20 5 CDBDRO COC(=O)c1cccc(OCCO[C@H](C)C[N+](C)(C)C)c1 ZINC001224424511 941753101 /nfs/dbraw/zinc/75/31/01/941753101.db2.gz FDPARCLPGLVWOT-CYBMUJFWSA-N 1 0 296.387 1.963 20 5 CDBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)cc2c1NC(=O)C2 ZINC001225414246 941855104 /nfs/dbraw/zinc/85/51/04/941855104.db2.gz WVPYJCQTTVKKCC-LLVKDONJSA-O 1 0 263.361 1.963 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(Cl)nc1 ZINC001225599567 941886586 /nfs/dbraw/zinc/88/65/86/941886586.db2.gz WNPCYEGRWZMITH-SECBINFHSA-N 1 0 273.740 1.098 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOc2ncc([N+](=O)[O-])cc2C)C1 ZINC001226764881 942064749 /nfs/dbraw/zinc/06/47/49/942064749.db2.gz NQYTWQPKQFDKNX-GFCCVEGCSA-N 1 0 281.312 1.398 20 5 CDBDRO COC(=O)c1c(O)cccc1O[C@H](C)C[N+](C)(C)C ZINC001227149778 942141629 /nfs/dbraw/zinc/14/16/29/942141629.db2.gz VKMDURCBQKCRDQ-SNVBAGLBSA-O 1 0 268.333 1.652 20 5 CDBDRO COC(=O)c1ccc(C)nc1O[C@H](C)C[N+](C)(C)C ZINC001228789499 942377352 /nfs/dbraw/zinc/37/73/52/942377352.db2.gz GHNQVMQVWVZOBP-LLVKDONJSA-N 1 0 267.349 1.650 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2c3ccccc3oc(=O)c2[N+](=O)[O-])C1 ZINC001228802212 942378991 /nfs/dbraw/zinc/37/89/91/942378991.db2.gz GODCGPPLSKFSMN-SECBINFHSA-N 1 0 290.275 1.784 20 5 CDBDRO COc1cc(/C=C/C(N)=O)ccc1O[C@H](C)C[N+](C)(C)C ZINC001229497169 942482010 /nfs/dbraw/zinc/48/20/10/942482010.db2.gz KUKSIJPFKMCPFN-YPUOHESYSA-O 1 0 293.387 1.667 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000721846549 943310434 /nfs/dbraw/zinc/31/04/34/943310434.db2.gz QVUYFQKGRNMBEW-SECBINFHSA-N 1 0 266.301 1.714 20 5 CDBDRO C[C@@H](C[NH+]1CCCCC1)Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001262678873 943666933 /nfs/dbraw/zinc/66/69/33/943666933.db2.gz QPUKHZNRMXGPHY-JTQLQIEISA-N 1 0 279.344 1.858 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001234881293 943966848 /nfs/dbraw/zinc/96/68/48/943966848.db2.gz NZHYGZSNDALHTO-VIFPVBQESA-N 1 0 270.309 1.472 20 5 CDBDRO COC(=O)c1cc(O[C@H](C)C[N+](C)(C)C)cnc1Cl ZINC001234953715 943985171 /nfs/dbraw/zinc/98/51/71/943985171.db2.gz SYFVRWCVVLXJLR-SECBINFHSA-N 1 0 287.767 1.995 20 5 CDBDRO COC1C[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254476885 947450489 /nfs/dbraw/zinc/45/04/89/947450489.db2.gz WNYCNRZDIGEQKE-UHFFFAOYSA-N 1 0 291.351 1.894 20 5 CDBDRO CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254541739 947517791 /nfs/dbraw/zinc/51/77/91/947517791.db2.gz IUSBSTHUJPMPPT-LERXQTSPSA-N 1 0 291.351 1.783 20 5 CDBDRO CC(=O)NC[C@H](C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254549767 947519935 /nfs/dbraw/zinc/51/99/35/947519935.db2.gz ZDSZPKMFPUBSAC-NEPJUHHUSA-N 1 0 293.367 1.888 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](O)C1 ZINC001254550650 947521461 /nfs/dbraw/zinc/52/14/61/947521461.db2.gz NWBLDOAUIURAFD-CMPLNLGQSA-N 1 0 250.298 1.592 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001254550179 947521684 /nfs/dbraw/zinc/52/16/84/947521684.db2.gz DZRWVSFZKDYIJP-QKCSRTOESA-N 1 0 282.315 1.931 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC2(C1)OCCO2 ZINC001254558542 947526229 /nfs/dbraw/zinc/52/62/29/947526229.db2.gz CGNMWQLJQYZDLA-LBPRGKRZSA-N 1 0 292.335 1.975 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1(F)COC1)C2 ZINC001254574123 947533941 /nfs/dbraw/zinc/53/39/41/947533941.db2.gz GHPQGYBRETYFHD-NSHDSACASA-N 1 0 266.272 1.390 20 5 CDBDRO CN1CC[C@@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1=O ZINC001254584151 947539432 /nfs/dbraw/zinc/53/94/32/947539432.db2.gz QLRNWPIYOJEJLR-CHWSQXEVSA-N 1 0 289.335 1.272 20 5 CDBDRO CO[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254593667 947546126 /nfs/dbraw/zinc/54/61/26/947546126.db2.gz NSDUPQNBXAXLPP-ZIAGYGMSSA-N 1 0 262.309 1.783 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[N@@H+]3CC[C@@H]3C1)C2 ZINC001254605695 947553876 /nfs/dbraw/zinc/55/38/76/947553876.db2.gz CQOYWWPOSQCTPA-CABCVRRESA-N 1 0 273.336 1.452 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C)[NH+](C)C ZINC001255442180 947897047 /nfs/dbraw/zinc/89/70/47/947897047.db2.gz NSYIXAVDTYTVKK-SNVBAGLBSA-N 1 0 280.328 1.975 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[NH2+]CC1 ZINC001246530296 948232848 /nfs/dbraw/zinc/23/28/48/948232848.db2.gz WMFQOOVWPLTVGH-GFCCVEGCSA-N 1 0 263.341 1.821 20 5 CDBDRO [NH3+]CCCCc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247687245 948704926 /nfs/dbraw/zinc/70/49/26/948704926.db2.gz CMYONHFVFFDRIW-UHFFFAOYSA-N 1 0 281.247 1.460 20 5 CDBDRO C[C@@]1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCC[NH2+]1 ZINC001333336056 958263835 /nfs/dbraw/zinc/26/38/35/958263835.db2.gz LVZAHCSAJCFCCO-AWEZNQCLSA-N 1 0 275.308 1.579 20 5 CDBDRO C[N@H+](CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CCC1 ZINC001334744451 959320168 /nfs/dbraw/zinc/32/01/68/959320168.db2.gz FVPGRGBHBFWXTD-UHFFFAOYSA-N 1 0 289.335 1.921 20 5 CDBDRO Cc1c(CC(=O)NCC[NH+]2CC=CC2)cccc1[N+](=O)[O-] ZINC001322852954 960344548 /nfs/dbraw/zinc/34/45/48/960344548.db2.gz GNXNXHUHHVMYGF-UHFFFAOYSA-N 1 0 289.335 1.434 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNc1cc(N)c([N+](=O)[O-])cn1 ZINC001337837117 961459962 /nfs/dbraw/zinc/45/99/62/961459962.db2.gz PBKSKHNJHFCZCO-VIFPVBQESA-N 1 0 267.333 1.714 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H](C)[NH3+] ZINC001340733436 963095981 /nfs/dbraw/zinc/09/59/81/963095981.db2.gz DMRFJKRLCRWFII-QMMMGPOBSA-N 1 0 283.353 1.736 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001341561421 963463568 /nfs/dbraw/zinc/46/35/68/963463568.db2.gz XCQOANSBSRKWKB-MGCOHNPYSA-N 1 0 263.297 1.370 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC001341741472 963527863 /nfs/dbraw/zinc/52/78/63/963527863.db2.gz RBSZXVZUKVNOFQ-BNQQVVLKSA-N 1 0 289.335 1.913 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N1CC[NH+](C2CCC2)CC1 ZINC001341769940 963536633 /nfs/dbraw/zinc/53/66/33/963536633.db2.gz ODQAIDREILSPFQ-UHFFFAOYSA-N 1 0 276.340 1.973 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CN3CCC2CC3)c1 ZINC001346179249 964972117 /nfs/dbraw/zinc/97/21/17/964972117.db2.gz INVMNFICFHBMPV-GJZGRUSLSA-N 1 0 291.351 1.312 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC001347505075 965560618 /nfs/dbraw/zinc/56/06/18/965560618.db2.gz VLCNQNCDWJIWPZ-LLVKDONJSA-N 1 0 277.324 1.809 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+]2CC[C@H]1C2 ZINC001526834107 968608467 /nfs/dbraw/zinc/60/84/67/968608467.db2.gz ZKOGXUWNGZHQHT-LBPRGKRZSA-N 1 0 290.323 1.825 20 5 CDBDRO Cc1cc(NC(=O)C[NH2+]C(C)C)cc([N+](=O)[O-])c1 ZINC001515789474 969917448 /nfs/dbraw/zinc/91/74/48/969917448.db2.gz PXNBTCNSRVPMBF-UHFFFAOYSA-N 1 0 251.286 1.840 20 5 CDBDRO Cc1cc(C(=O)N2CCC3(C[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC001521899727 970374426 /nfs/dbraw/zinc/37/44/26/970374426.db2.gz DCUIADDNENQQMG-UHFFFAOYSA-N 1 0 289.335 1.729 20 5 CDBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001523359839 970681206 /nfs/dbraw/zinc/68/12/06/970681206.db2.gz LCRHAVQOACGHGF-UHFFFAOYSA-N 1 0 269.688 1.469 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1CC[NH2+]C1 ZINC001574159021 1170899380 /nfs/dbraw/zinc/89/93/80/1170899380.db2.gz NNMDVSUYJLGAOE-VIFPVBQESA-N 1 0 250.254 1.418 20 5 CDBDRO CC(C)C[C@H]([NH3+])CC(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001575645595 1171234171 /nfs/dbraw/zinc/23/41/71/1171234171.db2.gz HIUJTTHBYXNLAP-ZETCQYMHSA-N 1 0 255.278 1.020 20 5 CDBDRO CC[C@@H](NC(=O)N[C@H]1C[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC001578225829 1171839034 /nfs/dbraw/zinc/83/90/34/1171839034.db2.gz MEXUKQJMQJIOMQ-NTZNESFSSA-N 1 0 292.339 1.835 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CC[C@H](O)C2)c1 ZINC000599199844 343979774 /nfs/dbraw/zinc/97/97/74/343979774.db2.gz SMWOMUTZSZSTLV-NSHDSACASA-N 1 0 265.313 1.382 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC([NH2+]CCO)CC1 ZINC000601328235 342554300 /nfs/dbraw/zinc/55/43/00/342554300.db2.gz IJJLFIPDRZETOA-UHFFFAOYSA-N 1 0 297.330 1.280 20 5 CDBDRO CC1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000232904990 342034968 /nfs/dbraw/zinc/03/49/68/342034968.db2.gz SWCLXXXZIITFMC-ZDUSSCGKSA-N 1 0 296.371 1.712 20 5 CDBDRO CC1CC[NH+](CCCNc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000590570994 342577102 /nfs/dbraw/zinc/57/71/02/342577102.db2.gz BITWQNZAULFSQB-UHFFFAOYSA-N 1 0 293.371 1.528 20 5 CDBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000590577918 342577293 /nfs/dbraw/zinc/57/72/93/342577293.db2.gz JKOKIQHPNSFTSI-NSHDSACASA-N 1 0 293.371 1.740 20 5 CDBDRO CNc1ccc(C(=O)N2C[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC001578755247 1171996999 /nfs/dbraw/zinc/99/69/99/1171996999.db2.gz UKUUYPIUSHMVDC-PSASIEDQSA-N 1 0 278.312 1.198 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000127120966 342066743 /nfs/dbraw/zinc/06/67/43/342066743.db2.gz DBDPIQLGRZTXNQ-MFKMUULPSA-N 1 0 277.324 1.599 20 5 CDBDRO C[NH+]1CC2(C1)CCN(C(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000618921302 349557380 /nfs/dbraw/zinc/55/73/80/349557380.db2.gz YPDMBMPJNSOLAO-UHFFFAOYSA-N 1 0 275.308 1.373 20 5 CDBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)[C@@H](C)C[NH2+]1 ZINC000591433871 342631441 /nfs/dbraw/zinc/63/14/41/342631441.db2.gz CEENIHWNWZORSS-YUMQZZPRSA-N 1 0 254.265 1.316 20 5 CDBDRO CC[C@@H]([NH3+])CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591281312 342624081 /nfs/dbraw/zinc/62/40/81/342624081.db2.gz KIMOEOYBAIGLFV-SNVBAGLBSA-N 1 0 281.312 1.193 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591437412 342631882 /nfs/dbraw/zinc/63/18/82/342631882.db2.gz HFLOPMSXCSRZNK-WCBMZHEXSA-N 1 0 282.731 1.831 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000591361317 342628443 /nfs/dbraw/zinc/62/84/43/342628443.db2.gz SXWJEKCUDSFENR-SECBINFHSA-N 1 0 280.328 1.476 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC3(CC[NH2+]C3)CC2)s1 ZINC000591442777 342632520 /nfs/dbraw/zinc/63/25/20/342632520.db2.gz SEUBPTVAOSDXQH-UHFFFAOYSA-N 1 0 268.342 1.631 20 5 CDBDRO CC1(C)C[NH2+][C@@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000591668205 342641211 /nfs/dbraw/zinc/64/12/11/342641211.db2.gz OKHJKVXVPPRABD-GFCCVEGCSA-N 1 0 275.308 1.482 20 5 CDBDRO CN(CCC[NH3+])C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000591678987 342641687 /nfs/dbraw/zinc/64/16/87/342641687.db2.gz MAFCQTMTQZEHTJ-UHFFFAOYSA-N 1 0 271.704 1.669 20 5 CDBDRO CNc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000592331762 342685561 /nfs/dbraw/zinc/68/55/61/342685561.db2.gz ZRZZOUBOQSMWAA-MNOVXSKESA-N 1 0 292.339 1.636 20 5 CDBDRO O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@H](CO)CC1 ZINC000339756978 361875606 /nfs/dbraw/zinc/87/56/06/361875606.db2.gz ZNEKLQQFXBRFDW-NSHDSACASA-N 1 0 280.324 1.895 20 5 CDBDRO C[C@H](CO)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000593084515 342763542 /nfs/dbraw/zinc/76/35/42/342763542.db2.gz QHCGWOUXHFBFRP-LLVKDONJSA-N 1 0 282.344 1.132 20 5 CDBDRO [NH3+]CC1(CCNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000593914446 342856210 /nfs/dbraw/zinc/85/62/10/342856210.db2.gz LLXDIYUZSPFABY-UHFFFAOYSA-N 1 0 293.323 1.219 20 5 CDBDRO CN(C)CC[N@H+](C)CCCNc1sccc1[N+](=O)[O-] ZINC000588858188 342223009 /nfs/dbraw/zinc/22/30/09/342223009.db2.gz QAFOXXFHIKVQHH-UHFFFAOYSA-N 1 0 286.401 1.952 20 5 CDBDRO CCN(CC[NH3+])CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000600717272 342244305 /nfs/dbraw/zinc/24/43/05/342244305.db2.gz PTXUYJCBCMJCQL-UHFFFAOYSA-N 1 0 280.328 1.204 20 5 CDBDRO CCC(C)(C)[NH+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000594594636 342923125 /nfs/dbraw/zinc/92/31/25/342923125.db2.gz OVJHAUWTNCPFDQ-UHFFFAOYSA-N 1 0 294.359 1.108 20 5 CDBDRO C[N@H+](CC(=O)NCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000600816224 342250897 /nfs/dbraw/zinc/25/08/97/342250897.db2.gz LUOMMQXAMAFJCZ-UHFFFAOYSA-N 1 0 277.324 1.695 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000092956604 342270519 /nfs/dbraw/zinc/27/05/19/342270519.db2.gz QOVASLVQOBGQMH-CABZTGNLSA-N 1 0 263.297 1.209 20 5 CDBDRO [NH3+]CCSCc1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000594640244 342939226 /nfs/dbraw/zinc/93/92/26/342939226.db2.gz DJBGXYLATAJCMJ-UHFFFAOYSA-N 1 0 279.325 1.367 20 5 CDBDRO Cc1cccc(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000127802520 342285338 /nfs/dbraw/zinc/28/53/38/342285338.db2.gz NXOHGBJRRRRYCS-PWSUYJOCSA-N 1 0 293.323 1.091 20 5 CDBDRO Cc1cc(N2C[C@@H]3C[C@H]2C[NH2+]3)c(F)cc1[N+](=O)[O-] ZINC000600961482 342292782 /nfs/dbraw/zinc/29/27/82/342292782.db2.gz OEGLLKKIGDWIJP-IUCAKERBSA-N 1 0 251.261 1.593 20 5 CDBDRO CC[C@@](C)([NH2+]Cc1cccc([N+](=O)[O-])c1C)C(N)=O ZINC000177126609 529506851 /nfs/dbraw/zinc/50/68/51/529506851.db2.gz GWMCBWVIKWLOIJ-CYBMUJFWSA-N 1 0 265.313 1.647 20 5 CDBDRO Cc1noc(CN2CCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000595296631 343027306 /nfs/dbraw/zinc/02/73/06/343027306.db2.gz LVRYDLRRPRUALK-LBPRGKRZSA-N 1 0 294.355 1.951 20 5 CDBDRO CC1(C)CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075768056 342317178 /nfs/dbraw/zinc/31/71/78/342317178.db2.gz GCWIJBWJGJCYEX-ZDUSSCGKSA-N 1 0 296.371 1.664 20 5 CDBDRO C[C@@H]1C[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000076111671 342318867 /nfs/dbraw/zinc/31/88/67/342318867.db2.gz NFHJRBTXIBNLHI-BZPMIXESSA-N 1 0 294.351 1.922 20 5 CDBDRO CCC[NH+]1CCC(N(C)c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000076269528 342320358 /nfs/dbraw/zinc/32/03/58/342320358.db2.gz BHCFOFYDORGLBI-UHFFFAOYSA-N 1 0 294.359 1.278 20 5 CDBDRO Cc1noc(CN(C)C[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000595546464 343084052 /nfs/dbraw/zinc/08/40/52/343084052.db2.gz OFNIPVMBBSPZJH-JTQLQIEISA-N 1 0 268.317 1.417 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000595541812 343093379 /nfs/dbraw/zinc/09/33/79/343093379.db2.gz CSQPUYLLQNCYBE-WCQYABFASA-N 1 0 298.314 1.611 20 5 CDBDRO C[NH2+]C[C@@H](C)NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000596105258 343228508 /nfs/dbraw/zinc/22/85/08/343228508.db2.gz IQBOHJLMDGWPFV-MRVPVSSYSA-N 1 0 289.282 1.894 20 5 CDBDRO Cc1cc(NC[C@](C)(O)C[NH+](C)C)c([N+](=O)[O-])s1 ZINC000596173634 343259699 /nfs/dbraw/zinc/25/96/99/343259699.db2.gz ZIAPHPRWUQSBFD-NSHDSACASA-N 1 0 273.358 1.689 20 5 CDBDRO CCN(CCC[NH+]1CCCC1)c1ccc(N)c([N+](=O)[O-])n1 ZINC000596206496 343265672 /nfs/dbraw/zinc/26/56/72/343265672.db2.gz SJAIERKSUZQFRT-UHFFFAOYSA-N 1 0 293.371 1.884 20 5 CDBDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000597220071 343483944 /nfs/dbraw/zinc/48/39/44/343483944.db2.gz DDJDNVNPJRWJJU-AOOOYVTPSA-N 1 0 282.271 1.775 20 5 CDBDRO C[C@@]1(NC(=O)NCCc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000597432189 343535444 /nfs/dbraw/zinc/53/54/44/343535444.db2.gz KNKJCRBTPLJTCH-CQSZACIVSA-N 1 0 292.339 1.189 20 5 CDBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000598916417 343920129 /nfs/dbraw/zinc/92/01/29/343920129.db2.gz YKGHMLHUXKWDNR-MRVPVSSYSA-N 1 0 282.275 1.560 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000599531087 344076361 /nfs/dbraw/zinc/07/63/61/344076361.db2.gz HOBYNNVRHQCNTF-AVGNSLFASA-N 1 0 294.351 1.497 20 5 CDBDRO Cc1c(NC(=O)NC[C@H]2COCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000599594864 344088309 /nfs/dbraw/zinc/08/83/09/344088309.db2.gz MJKTYLVEFHEBPZ-JTQLQIEISA-N 1 0 294.311 1.013 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CO[C@H](C)C1 ZINC000402066457 344175460 /nfs/dbraw/zinc/17/54/60/344175460.db2.gz WNDLCRYLWNHBBU-KOLCDFICSA-N 1 0 266.297 1.870 20 5 CDBDRO C[C@H](CCNC(=O)c1c(F)cccc1[N+](=O)[O-])[NH+](C)C ZINC000601668287 344224063 /nfs/dbraw/zinc/22/40/63/344224063.db2.gz YRBYVWAOMAHXRN-SECBINFHSA-N 1 0 283.303 1.804 20 5 CDBDRO C[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000601589539 344199937 /nfs/dbraw/zinc/19/99/37/344199937.db2.gz GSLYNBVVUUVLGO-VIFPVBQESA-N 1 0 283.303 1.661 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000602600290 344504760 /nfs/dbraw/zinc/50/47/60/344504760.db2.gz VEPSHQJYPKLZBX-GXSJLCMTSA-N 1 0 263.297 1.085 20 5 CDBDRO Cc1c(C(=O)N2C[C@H]([NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000602601155 344505500 /nfs/dbraw/zinc/50/55/00/344505500.db2.gz YUDLVCBKMXHERU-PSASIEDQSA-N 1 0 263.297 1.465 20 5 CDBDRO CC1([NH3+])CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000602485862 344449327 /nfs/dbraw/zinc/44/93/27/344449327.db2.gz AHYFMIRBLWDANB-UHFFFAOYSA-N 1 0 281.287 1.687 20 5 CDBDRO COC[C@@](C)(CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602586889 344477922 /nfs/dbraw/zinc/47/79/22/344477922.db2.gz DURJCJMAVTWHQX-CYBMUJFWSA-N 1 0 268.313 1.124 20 5 CDBDRO COCC1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602573958 344487288 /nfs/dbraw/zinc/48/72/88/344487288.db2.gz OUWJFJNPYLBKKK-UHFFFAOYSA-N 1 0 250.298 1.906 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCn3ccnc3C2)cc1 ZINC000602625045 344501487 /nfs/dbraw/zinc/50/14/87/344501487.db2.gz WTSCNZYJZTYTQF-ZDUSSCGKSA-N 1 0 286.335 1.938 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000127228993 187291407 /nfs/dbraw/zinc/29/14/07/187291407.db2.gz KQOREWGVRMOREE-JTQLQIEISA-N 1 0 279.296 1.037 20 5 CDBDRO CO[C@@H](C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602626858 344520581 /nfs/dbraw/zinc/52/05/81/344520581.db2.gz MRKUXQYWRKQLPH-QMMMGPOBSA-N 1 0 265.269 1.861 20 5 CDBDRO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])CC(C)(C)O ZINC000602772134 344576343 /nfs/dbraw/zinc/57/63/43/344576343.db2.gz JRQRLCVJPKGGHK-UHFFFAOYSA-N 1 0 284.360 1.583 20 5 CDBDRO C[N@@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000602713800 344554215 /nfs/dbraw/zinc/55/42/15/344554215.db2.gz CXDAQZVTUPIVNS-KXQLTZBTSA-N 1 0 291.351 1.216 20 5 CDBDRO CC[C@@H]1CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602774428 344577718 /nfs/dbraw/zinc/57/77/18/344577718.db2.gz ZKCOPRYPGOXPQR-LLVKDONJSA-N 1 0 252.318 1.974 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000602795575 344586631 /nfs/dbraw/zinc/58/66/31/344586631.db2.gz NMMDFAIHNRZOBX-NWDGAFQWSA-N 1 0 282.344 1.193 20 5 CDBDRO [NH3+]C1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000159591320 362412339 /nfs/dbraw/zinc/41/23/39/362412339.db2.gz DVWIMTFISGAKEQ-UHFFFAOYSA-N 1 0 291.351 1.915 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCCn1ccnc1 ZINC000602797149 344587988 /nfs/dbraw/zinc/58/79/88/344587988.db2.gz HBIFRBQTOTWSGT-UHFFFAOYSA-N 1 0 292.343 1.318 20 5 CDBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C[C@@H](C)OC ZINC000602837599 344619362 /nfs/dbraw/zinc/61/93/62/344619362.db2.gz NXHFWCCFFFXKAA-SNVBAGLBSA-N 1 0 270.333 1.457 20 5 CDBDRO Cc1nn(C[C@H]2CC[N@@H+](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000603327711 344776470 /nfs/dbraw/zinc/77/64/70/344776470.db2.gz PXHSSWGFLPFZSG-JTQLQIEISA-N 1 0 275.312 1.600 20 5 CDBDRO CC1(C)[C@H](NCc2c(F)cccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000603432941 344803735 /nfs/dbraw/zinc/80/37/35/344803735.db2.gz KVPIDRSJTNJLHZ-NWDGAFQWSA-N 1 0 267.304 1.949 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](O)CC2)cc1 ZINC000292904073 362518331 /nfs/dbraw/zinc/51/83/31/362518331.db2.gz AREMZQDUAICMCD-CYBMUJFWSA-N 1 0 280.324 1.820 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](O)CC2)cc1 ZINC000293196374 362538289 /nfs/dbraw/zinc/53/82/89/362538289.db2.gz QMZWGFRYBKEWDW-CYBMUJFWSA-N 1 0 250.298 1.942 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)/C=C/C[NH+](C)C ZINC000265686609 362573872 /nfs/dbraw/zinc/57/38/72/362573872.db2.gz XKBQQCPRLIWZDQ-RMKNXTFCSA-N 1 0 277.324 1.671 20 5 CDBDRO C[NH+](C)C(C)(C)CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000041297512 345106951 /nfs/dbraw/zinc/10/69/51/345106951.db2.gz YPSVYTARDMQBBO-UHFFFAOYSA-N 1 0 279.340 1.594 20 5 CDBDRO CC(C)(C)C[N@H+](CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000610211551 346219585 /nfs/dbraw/zinc/21/95/85/346219585.db2.gz DBXTVMVQGVVCAN-UHFFFAOYSA-N 1 0 270.333 1.132 20 5 CDBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000610447592 346284035 /nfs/dbraw/zinc/28/40/35/346284035.db2.gz NHAMPSCFXAEQIR-UHFFFAOYSA-N 1 0 282.344 1.682 20 5 CDBDRO COCC[C@@H]([NH3+])CNCc1cc([N+](=O)[O-])ccc1OC ZINC001579004590 1172078799 /nfs/dbraw/zinc/07/87/99/1172078799.db2.gz UZHWCGMPUPTMRD-LLVKDONJSA-N 1 0 283.328 1.057 20 5 CDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3CC[N@H+](C)C3)n2)n1C ZINC000350257531 346334824 /nfs/dbraw/zinc/33/48/24/346334824.db2.gz ANAFXHSZYGXSRQ-QMMMGPOBSA-N 1 0 292.299 1.106 20 5 CDBDRO COC[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000610615578 346323164 /nfs/dbraw/zinc/32/31/64/346323164.db2.gz RSUIGXISQBCSIV-GFCCVEGCSA-N 1 0 293.323 1.305 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@H]3CCC[C@H]32)c1 ZINC000610762683 346398214 /nfs/dbraw/zinc/39/82/14/346398214.db2.gz NXSMNHXKKHVNHF-UXIGCNINSA-N 1 0 292.335 1.819 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(c2ncc([N+](=O)[O-])cn2)C[C@H]1C ZINC000612792251 347281144 /nfs/dbraw/zinc/28/11/44/347281144.db2.gz GBKKBMQOUQCICR-NXEZZACHSA-N 1 0 265.317 1.304 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[C@@H]1[NH3+] ZINC000122507200 347651433 /nfs/dbraw/zinc/65/14/33/347651433.db2.gz SWSSQHFNJBTDBU-BDAKNGLRSA-N 1 0 267.285 1.387 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CN(C)CCO1 ZINC000090573772 347784765 /nfs/dbraw/zinc/78/47/65/347784765.db2.gz UNNRTDOLHPCPLL-ZOWXZIJZSA-N 1 0 293.367 1.965 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000086467870 179298863 /nfs/dbraw/zinc/29/88/63/179298863.db2.gz FBMLEBGFEFJLRR-QWRGUYRKSA-N 1 0 277.324 1.726 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000086467996 179299147 /nfs/dbraw/zinc/29/91/47/179299147.db2.gz MNPMVEVKIVWJGL-GHMZBOCLSA-N 1 0 277.324 1.726 20 5 CDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C[NH+](C)C ZINC000293674302 362909370 /nfs/dbraw/zinc/90/93/70/362909370.db2.gz GQNZKFLLPMTRDW-MRVPVSSYSA-N 1 0 298.318 1.244 20 5 CDBDRO C[NH+](C)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273463395 192160714 /nfs/dbraw/zinc/16/07/14/192160714.db2.gz NJIQJRDJCPUDMX-UHFFFAOYSA-N 1 0 284.291 1.807 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000047226728 348808167 /nfs/dbraw/zinc/80/81/67/348808167.db2.gz FPNNRGCHAHIHSZ-ZIAGYGMSSA-N 1 0 289.335 1.951 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000057838493 348847833 /nfs/dbraw/zinc/84/78/33/348847833.db2.gz TUMKQBDNZICBNR-SNVBAGLBSA-N 1 0 250.302 1.520 20 5 CDBDRO COC[C@](C)(O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000069911835 349110818 /nfs/dbraw/zinc/11/08/18/349110818.db2.gz GBQNDGRIIXBTTQ-HZRUHFOJSA-N 1 0 280.324 1.595 20 5 CDBDRO C[C@@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+](C)C ZINC000618264671 349419219 /nfs/dbraw/zinc/41/92/19/349419219.db2.gz WYMDQYXBSUMXCU-QMMMGPOBSA-N 1 0 291.311 1.037 20 5 CDBDRO CSCC[C@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090554439 180002504 /nfs/dbraw/zinc/00/25/04/180002504.db2.gz HIBULXARLJIFKC-NSHDSACASA-N 1 0 299.396 1.830 20 5 CDBDRO C[C@@H]([NH2+][C@H]1CCCNC(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000111828124 350500632 /nfs/dbraw/zinc/50/06/32/350500632.db2.gz DMGCGCIGEYCJHI-PWSUYJOCSA-N 1 0 277.324 1.914 20 5 CDBDRO CCc1nn(C)c(N2CC[C@@H]([NH+]3CC=CC3)C2)c1[N+](=O)[O-] ZINC000271393780 191113107 /nfs/dbraw/zinc/11/31/07/191113107.db2.gz MKPBFWOYKFCATB-LLVKDONJSA-N 1 0 291.355 1.341 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2COCC[NH2+]2)c(Cl)c1 ZINC000236051788 362971805 /nfs/dbraw/zinc/97/18/05/362971805.db2.gz QQOHZCNUSVNSCC-SSDOTTSWSA-N 1 0 272.692 1.044 20 5 CDBDRO Cc1nn(C)c(NCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000062075935 362979969 /nfs/dbraw/zinc/97/99/69/362979969.db2.gz JYTRWIRBKQGVSZ-UHFFFAOYSA-N 1 0 267.333 1.535 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](CC3CC3)C2)s1 ZINC000619695606 350835103 /nfs/dbraw/zinc/83/51/03/350835103.db2.gz RSEALRVHFMARTC-SECBINFHSA-N 1 0 268.342 1.948 20 5 CDBDRO O=[N+]([O-])c1cnc(NCCN2Cc3ccccc3C2)s1 ZINC000619694987 350835345 /nfs/dbraw/zinc/83/53/45/350835345.db2.gz JTBDZELVZKAJGK-UHFFFAOYSA-N 1 0 290.348 1.901 20 5 CDBDRO C[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000078698032 350845035 /nfs/dbraw/zinc/84/50/35/350845035.db2.gz PMVIBHUYMQNZFC-VIFPVBQESA-N 1 0 251.286 1.161 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000156139950 351451651 /nfs/dbraw/zinc/45/16/51/351451651.db2.gz RACJXCOUTQZRKG-NXEZZACHSA-N 1 0 299.352 1.095 20 5 CDBDRO C[C@@H]1CC[C@H](C)[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000123313304 187084468 /nfs/dbraw/zinc/08/44/68/187084468.db2.gz QHBYZXZVSKJYSQ-JFGNBEQYSA-N 1 0 268.317 1.025 20 5 CDBDRO CCC[NH2+]CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000414661839 535169163 /nfs/dbraw/zinc/16/91/63/535169163.db2.gz YFBVZTIUMVGUMO-UHFFFAOYSA-N 1 0 296.327 1.725 20 5 CDBDRO COc1ccc(NC(=O)CC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000136480499 363111659 /nfs/dbraw/zinc/11/16/59/363111659.db2.gz JVGZINWZBATWCO-UHFFFAOYSA-N 1 0 279.296 1.813 20 5 CDBDRO Cc1c(C(=O)NC[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000292251083 198218285 /nfs/dbraw/zinc/21/82/85/198218285.db2.gz DUOUSHBXZPETMP-SNVBAGLBSA-N 1 0 279.340 1.831 20 5 CDBDRO CO[C@H]1CCCC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000361762105 358475426 /nfs/dbraw/zinc/47/54/26/358475426.db2.gz BRHXTNARPHHNGP-KOLCDFICSA-N 1 0 268.317 1.376 20 5 CDBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](CO)C(C)(C)C ZINC000154660427 188155712 /nfs/dbraw/zinc/15/57/12/188155712.db2.gz QUSZUVXGBSGQSK-UONOGXRCSA-N 1 0 296.367 1.967 20 5 CDBDRO CC[N@H+](CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000265540714 363339034 /nfs/dbraw/zinc/33/90/34/363339034.db2.gz WTLAUIKFLAVERU-UHFFFAOYSA-N 1 0 281.312 1.238 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000408244704 358483673 /nfs/dbraw/zinc/48/36/73/358483673.db2.gz DGPCHWDUQPEGNO-UWVGGRQHSA-N 1 0 250.302 1.560 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000172170767 188785912 /nfs/dbraw/zinc/78/59/12/188785912.db2.gz MMYCEXQIUKIBOJ-SECBINFHSA-N 1 0 283.353 1.680 20 5 CDBDRO C[C@@]1(CNC(=O)c2cccc([N+](=O)[O-])c2N)CCC[NH2+]C1 ZINC000272967481 192001633 /nfs/dbraw/zinc/00/16/33/192001633.db2.gz GUHZATWTRHPFGT-CQSZACIVSA-N 1 0 292.339 1.297 20 5 CDBDRO [NH3+][C@@H](CC(F)F)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000336809602 356272218 /nfs/dbraw/zinc/27/22/18/356272218.db2.gz FVYMLYXYVUBKFB-VIFPVBQESA-N 1 0 273.239 1.194 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000163376116 356545451 /nfs/dbraw/zinc/54/54/51/356545451.db2.gz VWNVNLFMMQUGFJ-SFYZADRCSA-N 1 0 269.326 1.466 20 5 CDBDRO C[C@@H]1C[C@H](O)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000340905703 363534840 /nfs/dbraw/zinc/53/48/40/363534840.db2.gz OKFQJADMWGNXMO-PWSUYJOCSA-N 1 0 266.297 1.429 20 5 CDBDRO C[C@@H]1[NH2+]CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000379494214 357164133 /nfs/dbraw/zinc/16/41/33/357164133.db2.gz MTLSXKKEVVAVDV-KZQRZKTQSA-N 1 0 289.335 1.817 20 5 CDBDRO C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000341383298 357244791 /nfs/dbraw/zinc/24/47/91/357244791.db2.gz RQVBBAUFCUWZQP-LBPRGKRZSA-N 1 0 297.742 1.959 20 5 CDBDRO [NH3+]C1(c2noc(Cc3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000261965481 357346725 /nfs/dbraw/zinc/34/67/25/357346725.db2.gz PTOFXHCPFHYADF-UHFFFAOYSA-N 1 0 274.280 1.907 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N(C)CC[N@H+](C)C2CC2)n1 ZINC000184785446 357495121 /nfs/dbraw/zinc/49/51/21/357495121.db2.gz WNMQYSUDGLKFLQ-UHFFFAOYSA-N 1 0 264.329 1.829 20 5 CDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H]1O ZINC000286592255 357531144 /nfs/dbraw/zinc/53/11/44/357531144.db2.gz QSPVNNXZDLJYDG-CHWSQXEVSA-N 1 0 250.298 1.940 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000407997984 357742241 /nfs/dbraw/zinc/74/22/41/357742241.db2.gz ZJMWOPORHVXKKN-GFCCVEGCSA-N 1 0 293.371 1.496 20 5 CDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000408052935 357795619 /nfs/dbraw/zinc/79/56/19/357795619.db2.gz WKZNRLXJZHZZSS-GXFFZTMASA-N 1 0 292.339 1.479 20 5 CDBDRO Cc1nn(CCC[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000188185081 357857311 /nfs/dbraw/zinc/85/73/11/357857311.db2.gz HEBSIVWCCJQVSZ-UHFFFAOYSA-N 1 0 252.318 1.894 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@]23CCC[NH2+]C3)n1 ZINC001579642680 1172232642 /nfs/dbraw/zinc/23/26/42/1172232642.db2.gz PUZQKOPVPBHZCJ-AWEZNQCLSA-N 1 0 290.323 1.266 20 5 CDBDRO CO[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000361361087 358170445 /nfs/dbraw/zinc/17/04/45/358170445.db2.gz BKLSMRIPAMEJOC-TZMCWYRMSA-N 1 0 296.323 1.055 20 5 CDBDRO COC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223951707 358376623 /nfs/dbraw/zinc/37/66/23/358376623.db2.gz MJGFJBAZUSMAEW-WCQYABFASA-N 1 0 282.340 1.951 20 5 CDBDRO CC[C@H](C)[N@H+](CCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000287427045 358582985 /nfs/dbraw/zinc/58/29/85/358582985.db2.gz PHEQHMGNAMQORD-FZMZJTMJSA-N 1 0 282.340 1.721 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCCOC1 ZINC000176236312 358749267 /nfs/dbraw/zinc/74/92/67/358749267.db2.gz CZMMFENSDNXGEW-NSHDSACASA-N 1 0 268.317 1.150 20 5 CDBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000291033231 358817095 /nfs/dbraw/zinc/81/70/95/358817095.db2.gz WGKXCUHHDPNYFI-VIFPVBQESA-N 1 0 297.359 1.477 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264931619 358779293 /nfs/dbraw/zinc/77/92/93/358779293.db2.gz SNUYAVSVIHWSCM-CYBMUJFWSA-N 1 0 277.324 1.348 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1O ZINC000251669371 140311716 /nfs/dbraw/zinc/31/17/16/140311716.db2.gz LPAUCAJUUVMWHK-ZWNOBZJWSA-N 1 0 250.298 1.798 20 5 CDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])s1 ZINC000104356218 358956372 /nfs/dbraw/zinc/95/63/72/358956372.db2.gz SXUQXHYBMUKEQR-QMMMGPOBSA-N 1 0 269.326 1.386 20 5 CDBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000447808857 359050269 /nfs/dbraw/zinc/05/02/69/359050269.db2.gz WSCIBVZIINIUOF-NSHDSACASA-N 1 0 279.344 1.917 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1C ZINC000342412163 359047396 /nfs/dbraw/zinc/04/73/96/359047396.db2.gz CZBFWIYQTAJJEN-ZWNOBZJWSA-N 1 0 298.364 1.426 20 5 CDBDRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000342413723 359047587 /nfs/dbraw/zinc/04/75/87/359047587.db2.gz IZULWWYCVUOSMO-SKDRFNHKSA-N 1 0 284.337 1.118 20 5 CDBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000450782510 359004869 /nfs/dbraw/zinc/00/48/69/359004869.db2.gz XSUNNROMLWBWME-ABAIWWIYSA-N 1 0 289.335 1.938 20 5 CDBDRO CC[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+](C)C ZINC000152645824 359344845 /nfs/dbraw/zinc/34/48/45/359344845.db2.gz KSDBAFUDHTVTTQ-AWEZNQCLSA-N 1 0 291.351 1.820 20 5 CDBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]C1 ZINC000050164002 359352729 /nfs/dbraw/zinc/35/27/29/359352729.db2.gz SUDVBNCJAFNVPY-NXEZZACHSA-N 1 0 250.302 1.790 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)C(C)C ZINC000049826037 359498995 /nfs/dbraw/zinc/49/89/95/359498995.db2.gz OWKLKIMWDLIZAC-UHFFFAOYSA-N 1 0 268.313 1.806 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H](O)C1 ZINC000023991893 359526683 /nfs/dbraw/zinc/52/66/83/359526683.db2.gz MFNLPPOEJMEEDK-GFCCVEGCSA-N 1 0 293.323 1.298 20 5 CDBDRO CC[C@@]1(C)CN(CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000135613499 359760415 /nfs/dbraw/zinc/76/04/15/359760415.db2.gz KJRFLYNEIIOZQZ-AWEZNQCLSA-N 1 0 295.339 1.257 20 5 CDBDRO Cc1nc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000297553306 200225701 /nfs/dbraw/zinc/22/57/01/200225701.db2.gz QYPNUBDNSVYRQF-WCBMZHEXSA-N 1 0 277.328 1.730 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000347852316 359861219 /nfs/dbraw/zinc/86/12/19/359861219.db2.gz BTTJJAAPHBPAPW-NWDGAFQWSA-N 1 0 277.324 1.381 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000089090912 283512249 /nfs/dbraw/zinc/51/22/49/283512249.db2.gz FCQHHWYQHCXYDU-PELKAZGASA-N 1 0 281.287 1.591 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@](C)(O)C[NH+](C)C)n1 ZINC000178600048 189130324 /nfs/dbraw/zinc/13/03/24/189130324.db2.gz KTKOJQZTXIQBNQ-LBPRGKRZSA-N 1 0 268.317 1.023 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(N)=O)cc1[N+](=O)[O-] ZINC000178689546 189137792 /nfs/dbraw/zinc/13/77/92/189137792.db2.gz GVJSOXRCSDNGMW-BDAKNGLRSA-N 1 0 294.311 1.137 20 5 CDBDRO C[NH+](C)CCCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000179879833 189226124 /nfs/dbraw/zinc/22/61/24/189226124.db2.gz NIMIJIPTSCJJLV-UHFFFAOYSA-N 1 0 295.295 1.005 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000572522414 361073372 /nfs/dbraw/zinc/07/33/72/361073372.db2.gz BZGIJFFGIOFIAP-DTWKUNHWSA-N 1 0 296.327 1.851 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000573007280 361105024 /nfs/dbraw/zinc/10/50/24/361105024.db2.gz JERBILDFAFHMAF-GFCCVEGCSA-N 1 0 293.371 1.794 20 5 CDBDRO Cc1nc(N2CC[C@H]([NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000568355975 294018892 /nfs/dbraw/zinc/01/88/92/294018892.db2.gz WDRRJPXZXDKNAM-NSHDSACASA-N 1 0 277.328 1.368 20 5 CDBDRO CN(C)c1ncc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1C ZINC000070143595 361634644 /nfs/dbraw/zinc/63/46/44/361634644.db2.gz ROCQLXFDKNDQLX-UHFFFAOYSA-N 1 0 289.339 1.684 20 5 CDBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cn1)C1CC1 ZINC000302087576 201337244 /nfs/dbraw/zinc/33/72/44/201337244.db2.gz FQGUPAWQLJJLQP-JTQLQIEISA-N 1 0 251.290 1.137 20 5 CDBDRO C[C@H]([NH2+]CC(C)(C)C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000173329023 364031200 /nfs/dbraw/zinc/03/12/00/364031200.db2.gz ZDWJIKSZJKTTIF-VIFPVBQESA-N 1 0 265.313 1.757 20 5 CDBDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000352889762 364438551 /nfs/dbraw/zinc/43/85/51/364438551.db2.gz ZBHPIBNGLKSSCH-OLZOCXBDSA-N 1 0 296.371 1.807 20 5 CDBDRO CC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCS1 ZINC000174881266 364588227 /nfs/dbraw/zinc/58/82/27/364588227.db2.gz BEFQPNIEXQPRCY-LLVKDONJSA-N 1 0 270.358 1.619 20 5 CDBDRO COCC1(O)CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000270382613 364574777 /nfs/dbraw/zinc/57/47/77/364574777.db2.gz QACLHTMIJUSHCN-UHFFFAOYSA-N 1 0 294.351 1.611 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[NH2+]C2CC2)c1 ZINC000237241958 364578991 /nfs/dbraw/zinc/57/89/91/364578991.db2.gz NJTWJIATNFOHHH-UHFFFAOYSA-N 1 0 279.296 1.085 20 5 CDBDRO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1O ZINC000249563503 364890433 /nfs/dbraw/zinc/89/04/33/364890433.db2.gz MJUXZVBRHIDRKI-SMDDNHRTSA-N 1 0 280.324 1.676 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000564172749 365383463 /nfs/dbraw/zinc/38/34/63/365383463.db2.gz GZJSSYQNKGVJOR-NSHDSACASA-N 1 0 294.355 1.488 20 5 CDBDRO Cc1occc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000414376543 241174421 /nfs/dbraw/zinc/17/44/21/241174421.db2.gz HUKPQOAGIVURBB-UHFFFAOYSA-N 1 0 250.258 1.483 20 5 CDBDRO CCn1cc([N+](=O)[O-])c(-c2nc(C3([NH3+])CCCC3)no2)n1 ZINC000414612630 241274890 /nfs/dbraw/zinc/27/48/90/241274890.db2.gz DSTNGWQVLDKSBE-UHFFFAOYSA-N 1 0 292.299 1.589 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[NH3+] ZINC000415300034 241638672 /nfs/dbraw/zinc/63/86/72/241638672.db2.gz QVINYFFNAQDDBO-UHFFFAOYSA-N 1 0 252.274 1.292 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000415500183 241705320 /nfs/dbraw/zinc/70/53/20/241705320.db2.gz KWOLBPLVQZHDGU-SNVBAGLBSA-N 1 0 278.312 1.777 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2ccccc2C1 ZINC000090511357 367470603 /nfs/dbraw/zinc/47/06/03/367470603.db2.gz CPIXPMFXERDDFD-UHFFFAOYSA-N 1 0 299.330 1.815 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000417125685 242329406 /nfs/dbraw/zinc/32/94/06/242329406.db2.gz BNGYPRRCCRQHJF-JQWIXIFHSA-N 1 0 292.339 1.659 20 5 CDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC(C)(C)[NH3+] ZINC000418436291 243075646 /nfs/dbraw/zinc/07/56/46/243075646.db2.gz XECJFSIGAKSHEY-UHFFFAOYSA-N 1 0 294.355 1.516 20 5 CDBDRO CCCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000441201632 368416406 /nfs/dbraw/zinc/41/64/06/368416406.db2.gz MYYPXIRBXOPGFC-CYBMUJFWSA-N 1 0 282.344 1.417 20 5 CDBDRO C[NH2+]CCS[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000577176610 317278854 /nfs/dbraw/zinc/27/88/54/317278854.db2.gz ZMEBOPIVKPNOFD-VIFPVBQESA-N 1 0 283.353 1.874 20 5 CDBDRO [NH3+]C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CCCO1 ZINC000420383832 244180945 /nfs/dbraw/zinc/18/09/45/244180945.db2.gz FUBUVCNSEGXGQH-LBPRGKRZSA-N 1 0 295.339 1.023 20 5 CDBDRO C[C@@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])[NH+](C)C ZINC000420580987 244264504 /nfs/dbraw/zinc/26/45/04/244264504.db2.gz GIOSTXLOXAOYQU-QMMMGPOBSA-N 1 0 266.301 1.056 20 5 CDBDRO Cc1nc(N(C)C[C@@H]2CCC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC000420630760 244297957 /nfs/dbraw/zinc/29/79/57/244297957.db2.gz FPRUROQGLWUFAM-JTQLQIEISA-N 1 0 265.317 1.224 20 5 CDBDRO COc1ccc(CNC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414893345 369377892 /nfs/dbraw/zinc/37/78/92/369377892.db2.gz KDXVEJVOZBAKLI-LLVKDONJSA-N 1 0 265.313 1.430 20 5 CDBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000276487227 193352271 /nfs/dbraw/zinc/35/22/71/193352271.db2.gz RSJQFSAYFCVTBO-UHFFFAOYSA-N 1 0 294.355 1.871 20 5 CDBDRO CCCC[C@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668516 369784941 /nfs/dbraw/zinc/78/49/41/369784941.db2.gz IMVIEVSBCZYVGJ-LBPRGKRZSA-N 1 0 265.313 1.729 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266126788 370301020 /nfs/dbraw/zinc/30/10/20/370301020.db2.gz FTDQELOREDPQPV-LLVKDONJSA-N 1 0 279.340 1.594 20 5 CDBDRO C[NH2+]C[C@@H](C)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000414840806 370496322 /nfs/dbraw/zinc/49/63/22/370496322.db2.gz NMKMDILKFPBBPY-SNVBAGLBSA-N 1 0 267.329 1.549 20 5 CDBDRO C[C@@H]1CCNC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000422746230 245206762 /nfs/dbraw/zinc/20/67/62/245206762.db2.gz WFKRERGXEHZSMM-RISCZKNCSA-N 1 0 263.341 1.725 20 5 CDBDRO C[NH2+]CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000422790797 245259753 /nfs/dbraw/zinc/25/97/53/245259753.db2.gz YADRMRILIMZUJT-UHFFFAOYSA-N 1 0 251.286 1.161 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000422811688 245286708 /nfs/dbraw/zinc/28/67/08/245286708.db2.gz VENSCGKLFXEWGB-GFCCVEGCSA-N 1 0 291.351 1.893 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)C[NH+]1CCCC1 ZINC000332265659 204560988 /nfs/dbraw/zinc/56/09/88/204560988.db2.gz FISMTFHYBGVSCY-NSHDSACASA-N 1 0 294.355 1.395 20 5 CDBDRO C[NH2+]C[C@H](C)CNc1cccc(OC)c1[N+](=O)[O-] ZINC000135058818 139884864 /nfs/dbraw/zinc/88/48/64/139884864.db2.gz GSFUHHWEOGDELR-VIFPVBQESA-N 1 0 253.302 1.871 20 5 CDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000332732431 204933472 /nfs/dbraw/zinc/93/34/72/204933472.db2.gz WIHNHMFGWQNYIE-JTQLQIEISA-N 1 0 280.328 1.479 20 5 CDBDRO CCc1n[nH]c(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000356750452 373049381 /nfs/dbraw/zinc/04/93/81/373049381.db2.gz DAYQIXLQYUKGBA-VIFPVBQESA-N 1 0 297.359 1.339 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CCC[NH3+] ZINC000037810239 373400413 /nfs/dbraw/zinc/40/04/13/373400413.db2.gz HOAYPVLZJQQGQI-UHFFFAOYSA-N 1 0 251.286 1.292 20 5 CDBDRO Cc1ccnc(NC[C@@H](C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000301306962 373504127 /nfs/dbraw/zinc/50/41/27/373504127.db2.gz VJFGJMGKSYTPNH-GFCCVEGCSA-N 1 0 293.371 1.346 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CC12CC[NH2+]CC2 ZINC000368384094 373836995 /nfs/dbraw/zinc/83/69/95/373836995.db2.gz HSCUPDRURWQQJQ-ZDUSSCGKSA-N 1 0 289.335 1.396 20 5 CDBDRO Cc1c(CC(=O)N[C@@H]2CC[NH2+]C2(C)C)cccc1[N+](=O)[O-] ZINC000423744781 246021720 /nfs/dbraw/zinc/02/17/20/246021720.db2.gz WSVLJHQFGNOVSJ-CYBMUJFWSA-N 1 0 291.351 1.702 20 5 CDBDRO COCCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369684573 374362641 /nfs/dbraw/zinc/36/26/41/374362641.db2.gz ZLZKLGQROVGZQW-UHFFFAOYSA-N 1 0 268.317 1.465 20 5 CDBDRO Cc1ccc([C@@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000423433100 374381148 /nfs/dbraw/zinc/38/11/48/374381148.db2.gz MVQQIHAJLCYOCQ-WUWHUORYSA-N 1 0 261.325 1.772 20 5 CDBDRO Cc1c([C@H](C)NC[C@H]2C[NH2+]CCCO2)cccc1[N+](=O)[O-] ZINC000423504521 374386618 /nfs/dbraw/zinc/38/66/18/374386618.db2.gz GDBHYZJTSMUAIA-QWHCGFSZSA-N 1 0 293.367 1.932 20 5 CDBDRO Cc1c([C@@H](C)NC[C@H]2C[NH2+]CCCO2)cccc1[N+](=O)[O-] ZINC000423504514 374386712 /nfs/dbraw/zinc/38/67/12/374386712.db2.gz GDBHYZJTSMUAIA-CHWSQXEVSA-N 1 0 293.367 1.932 20 5 CDBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CNCCO2)cccc1[N+](=O)[O-] ZINC000423531724 374388268 /nfs/dbraw/zinc/38/82/68/374388268.db2.gz YOGNKLSCOWBVQP-RYUDHWBXSA-N 1 0 279.340 1.542 20 5 CDBDRO Cc1nn(C)c(C(=O)NCCC[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000299133577 374426446 /nfs/dbraw/zinc/42/64/46/374426446.db2.gz DQNWNSSSEZXBRD-UHFFFAOYSA-N 1 0 297.359 1.097 20 5 CDBDRO C[N@@H+]1CC[C@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000081589268 374527045 /nfs/dbraw/zinc/52/70/45/374527045.db2.gz LODJMGJJGFJSOA-SNVBAGLBSA-N 1 0 287.323 1.902 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000424049367 246307162 /nfs/dbraw/zinc/30/71/62/246307162.db2.gz UVXPIINNACGWOG-UHFFFAOYSA-N 1 0 291.311 1.328 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429225376 374575258 /nfs/dbraw/zinc/57/52/58/374575258.db2.gz FOHRLWCUKRDFLI-SNVBAGLBSA-N 1 0 288.307 1.291 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000376683917 374567333 /nfs/dbraw/zinc/56/73/33/374567333.db2.gz YLHVKBFZBGYZQA-GXFFZTMASA-N 1 0 275.308 1.419 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000376683920 374567358 /nfs/dbraw/zinc/56/73/58/374567358.db2.gz YLHVKBFZBGYZQA-ZWNOBZJWSA-N 1 0 275.308 1.419 20 5 CDBDRO CC(C)([NH3+])CCC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000070087290 374648208 /nfs/dbraw/zinc/64/82/08/374648208.db2.gz IDWKILUFQDUKOO-UHFFFAOYSA-N 1 0 265.313 1.729 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000070447264 374662238 /nfs/dbraw/zinc/66/22/38/374662238.db2.gz QZFVIJMXIDZHBH-LLVKDONJSA-N 1 0 265.313 1.237 20 5 CDBDRO CC1(C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000279807757 374963325 /nfs/dbraw/zinc/96/33/25/374963325.db2.gz PRGGISWNHYLGBS-STQMWFEESA-N 1 0 280.324 1.331 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c1 ZINC000280204141 374986205 /nfs/dbraw/zinc/98/62/05/374986205.db2.gz FCBMZVJVHXIFNJ-OLZOCXBDSA-N 1 0 280.324 1.329 20 5 CDBDRO Cc1cnc(NCC[N@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000280270157 374987844 /nfs/dbraw/zinc/98/78/44/374987844.db2.gz OSTJYTDIVXIDQB-UHFFFAOYSA-N 1 0 262.313 1.972 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000299599785 375185183 /nfs/dbraw/zinc/18/51/83/375185183.db2.gz GWXPJLYIRCZFPK-UHFFFAOYSA-N 1 0 265.313 1.585 20 5 CDBDRO COC(=O)CC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000350698994 375228582 /nfs/dbraw/zinc/22/85/82/375228582.db2.gz DGDFUCYAIPDMAY-UHFFFAOYSA-N 1 0 296.327 1.066 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1Cc1csc([N+](=O)[O-])c1 ZINC000131551318 375284878 /nfs/dbraw/zinc/28/48/78/375284878.db2.gz DQWWGTQGLLACAN-DTWKUNHWSA-N 1 0 255.343 1.825 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351744731 375326078 /nfs/dbraw/zinc/32/60/78/375326078.db2.gz WWUDYSAXJKXWSE-MRVPVSSYSA-N 1 0 284.291 1.806 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000132016682 375395305 /nfs/dbraw/zinc/39/53/05/375395305.db2.gz LQMVHAQXVZVDOV-BDAKNGLRSA-N 1 0 281.287 1.543 20 5 CDBDRO COc1ccc(OCC[N@H+]2C[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000351836720 375333817 /nfs/dbraw/zinc/33/38/17/375333817.db2.gz WYMHDTRBZSWPJN-GWCFXTLKSA-N 1 0 296.323 1.295 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351943447 375344238 /nfs/dbraw/zinc/34/42/38/375344238.db2.gz GEPWLQBVVBACJQ-GBIKHYSHSA-N 1 0 250.298 1.968 20 5 CDBDRO CCOCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293896199 375410423 /nfs/dbraw/zinc/41/04/23/375410423.db2.gz WFBKBHKPMZFQNV-SECBINFHSA-N 1 0 253.302 1.864 20 5 CDBDRO O=C(NCCCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000293928020 375436493 /nfs/dbraw/zinc/43/64/93/375436493.db2.gz MPDUWVPATKWSTC-UHFFFAOYSA-N 1 0 294.355 1.919 20 5 CDBDRO CC(C)C[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304391966 375443708 /nfs/dbraw/zinc/44/37/08/375443708.db2.gz NFQUZXGZCGHSAP-GXTWGEPZSA-N 1 0 296.371 1.520 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493431555 375452739 /nfs/dbraw/zinc/45/27/39/375452739.db2.gz KWFHKFGTLMHXOC-AYYIZTPMSA-N 1 0 295.314 1.719 20 5 CDBDRO COC[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000227690376 375591487 /nfs/dbraw/zinc/59/14/87/375591487.db2.gz VDONHHAPARNWNJ-GXFFZTMASA-N 1 0 268.313 1.907 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000426457689 247027815 /nfs/dbraw/zinc/02/78/15/247027815.db2.gz YVCWGLXCFAXWNH-NXEZZACHSA-N 1 0 250.302 1.703 20 5 CDBDRO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000353439575 375609428 /nfs/dbraw/zinc/60/94/28/375609428.db2.gz MMELXXIVHDALNL-TVQRCGJNSA-N 1 0 295.339 1.593 20 5 CDBDRO C[NH+](C)[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])C1CC1 ZINC000354426237 375708932 /nfs/dbraw/zinc/70/89/32/375708932.db2.gz UGACEXXPJHVYLJ-LBPRGKRZSA-N 1 0 292.339 1.247 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000428412090 247295882 /nfs/dbraw/zinc/29/58/82/247295882.db2.gz HAQJCCZUULLAHV-VIFPVBQESA-N 1 0 279.296 1.037 20 5 CDBDRO Cn1c(C(=O)NCC2([NH3+])CCCCCC2)ccc1[N+](=O)[O-] ZINC000428565178 247326576 /nfs/dbraw/zinc/32/65/76/247326576.db2.gz ZJACPKATKRIWHR-UHFFFAOYSA-N 1 0 294.355 1.715 20 5 CDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccn2ccnc2c1 ZINC000355294277 375788340 /nfs/dbraw/zinc/78/83/40/375788340.db2.gz WAZYDAIQCQJALD-UHFFFAOYSA-N 1 0 286.251 1.078 20 5 CDBDRO CC(C)[N@H+](C)CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347400791 376091525 /nfs/dbraw/zinc/09/15/25/376091525.db2.gz BSKQVQOWHCLMNL-UHFFFAOYSA-N 1 0 289.339 1.712 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000130211773 376077822 /nfs/dbraw/zinc/07/78/22/376077822.db2.gz XNVCRJSINXHIOU-SNVBAGLBSA-N 1 0 279.296 1.220 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@H]2CCCC(=O)N2)cc1[N+](=O)[O-] ZINC000433179322 248001383 /nfs/dbraw/zinc/00/13/83/248001383.db2.gz HMSDETPSMCDFAZ-GFCCVEGCSA-N 1 0 277.324 1.662 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435230447 248158595 /nfs/dbraw/zinc/15/85/95/248158595.db2.gz CITJXPJWGBDMRE-LLVKDONJSA-N 1 0 290.323 1.265 20 5 CDBDRO Cc1ccc(NCCCNC(=O)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000161543694 377480668 /nfs/dbraw/zinc/48/06/68/377480668.db2.gz BRRJQTJIPYYWRZ-UHFFFAOYSA-N 1 0 294.355 1.560 20 5 CDBDRO [NH3+]C[C@H]1CCCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000261559585 377862090 /nfs/dbraw/zinc/86/20/90/377862090.db2.gz DTPUFWMWQPZJLC-SECBINFHSA-N 1 0 253.277 1.909 20 5 CDBDRO CC[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)O1 ZINC000245587795 378554027 /nfs/dbraw/zinc/55/40/27/378554027.db2.gz NHEVOUCHCHHYOL-YPMHNXCESA-N 1 0 295.339 1.256 20 5 CDBDRO C[NH+](C)C[C@](C)(O)CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000278512672 194020505 /nfs/dbraw/zinc/02/05/05/194020505.db2.gz YEKYKSSLLUHFGR-CQSZACIVSA-N 1 0 294.355 1.287 20 5 CDBDRO O=C([C@@H]1[NH2+]C[C@@H]2C[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001580807197 1172544812 /nfs/dbraw/zinc/54/48/12/1172544812.db2.gz POTHTSFHRPJSRF-XHVZSJERSA-N 1 0 273.292 1.092 20 5 CDBDRO COCC[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278670428 194094776 /nfs/dbraw/zinc/09/47/76/194094776.db2.gz LPBIFNBQQQTUMK-SECBINFHSA-N 1 0 278.312 1.986 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](CO)[C@@H]2CCCO2)c1 ZINC000447907486 250443525 /nfs/dbraw/zinc/44/35/25/250443525.db2.gz RWFNHCJXUSONAN-OLZOCXBDSA-N 1 0 266.297 1.224 20 5 CDBDRO CCO[C@@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000174872486 379596802 /nfs/dbraw/zinc/59/68/02/379596802.db2.gz MBDKXEFOGFJODJ-CHWSQXEVSA-N 1 0 296.371 1.927 20 5 CDBDRO Cc1c(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000175212367 379660176 /nfs/dbraw/zinc/66/01/76/379660176.db2.gz RESYSBZMWJZAFN-LBPRGKRZSA-N 1 0 291.351 1.991 20 5 CDBDRO CC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(=O)NC ZINC000449770634 251008346 /nfs/dbraw/zinc/00/83/46/251008346.db2.gz GBRTXEUUDYNBDC-VFFGBVLKSA-N 1 0 277.324 1.722 20 5 CDBDRO O=[N+]([O-])c1c(F)cccc1N1CCC([NH2+]CCO)CC1 ZINC000291011347 285075905 /nfs/dbraw/zinc/07/59/05/285075905.db2.gz WJCPSNABBNGKMY-UHFFFAOYSA-N 1 0 283.303 1.285 20 5 CDBDRO C[N@H+](CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000491202312 253067533 /nfs/dbraw/zinc/06/75/33/253067533.db2.gz WWXSLXPLCDWUQA-TWGQIWQCSA-N 1 0 289.335 1.818 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCCO)C2CC2)cc1 ZINC000172354843 285111273 /nfs/dbraw/zinc/11/12/73/285111273.db2.gz JRBGMYJHIAGHFZ-UHFFFAOYSA-N 1 0 250.298 1.942 20 5 CDBDRO CCC[NH2+]CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493046010 253355334 /nfs/dbraw/zinc/35/53/34/253355334.db2.gz JHSLCYUXAIHLLC-XQRVVYSFSA-N 1 0 295.314 1.863 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000375779168 285166118 /nfs/dbraw/zinc/16/61/18/285166118.db2.gz WNRFDFKNHIFUQQ-AAEUAGOBSA-N 1 0 292.339 1.025 20 5 CDBDRO COCC[C@H](CO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000281736957 285167471 /nfs/dbraw/zinc/16/74/71/285167471.db2.gz VFIREWYCSJZRHQ-DOMZBBRYSA-N 1 0 294.351 1.959 20 5 CDBDRO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000288698412 197147198 /nfs/dbraw/zinc/14/71/98/197147198.db2.gz XZGBAEPCAILYCK-SNVBAGLBSA-N 1 0 295.295 1.122 20 5 CDBDRO C[N@H+]1CC=C(CNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000286101714 390191632 /nfs/dbraw/zinc/19/16/32/390191632.db2.gz CYOQEPBRZNPSJE-UHFFFAOYSA-N 1 0 262.313 1.851 20 5 CDBDRO CC(C)[C@@H](C[NH3+])C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000433151274 390496749 /nfs/dbraw/zinc/49/67/49/390496749.db2.gz NPWADWHYNFEUTB-LLVKDONJSA-N 1 0 277.324 1.715 20 5 CDBDRO CC(C)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000048571978 390449151 /nfs/dbraw/zinc/44/91/51/390449151.db2.gz MDCZLJQDHPRYOF-UHFFFAOYSA-N 1 0 279.340 1.581 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1c1c(F)cccc1[N+](=O)[O-] ZINC000261572924 390474514 /nfs/dbraw/zinc/47/45/14/390474514.db2.gz MBNSTKKOXBJSFR-IUCAKERBSA-N 1 0 253.277 1.907 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000261621007 390476500 /nfs/dbraw/zinc/47/65/00/390476500.db2.gz UUFVBKSMUAUIHF-SOCHQFKDSA-N 1 0 267.285 1.304 20 5 CDBDRO [NH3+]C[C@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CCO1 ZINC000165796798 390625998 /nfs/dbraw/zinc/62/59/98/390625998.db2.gz HMDCSGQXPMFREA-JTQLQIEISA-N 1 0 288.307 1.307 20 5 CDBDRO CC1(C)[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@H]2CCCO[C@H]21 ZINC000451474755 390626139 /nfs/dbraw/zinc/62/61/39/390626139.db2.gz BHUJDEPMFXNOAB-RAIGVLPGSA-N 1 0 294.355 1.585 20 5 CDBDRO CCN1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000391513694 390612539 /nfs/dbraw/zinc/61/25/39/390612539.db2.gz PFSRUAUBFCUFIR-NSHDSACASA-N 1 0 263.297 1.305 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@H](C[NH3+])C1 ZINC000235316125 390866047 /nfs/dbraw/zinc/86/60/47/390866047.db2.gz ZHEXXMZDHQQYGK-KOLCDFICSA-N 1 0 295.314 1.933 20 5 CDBDRO COC[C@@](C)([NH3+])CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413141960 391165526 /nfs/dbraw/zinc/16/55/26/391165526.db2.gz NCUULFPANQBERQ-AWEZNQCLSA-N 1 0 290.323 1.919 20 5 CDBDRO O=C(NCC1C[NH2+]C1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415631286 391176247 /nfs/dbraw/zinc/17/62/47/391176247.db2.gz MJCDKMJCXSBBDA-UHFFFAOYSA-N 1 0 268.248 1.075 20 5 CDBDRO Nc1nc(N2CC[C@H]([NH+]3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000264587887 391228896 /nfs/dbraw/zinc/22/88/96/391228896.db2.gz LAWAHQIDABELGG-JTQLQIEISA-N 1 0 292.343 1.032 20 5 CDBDRO Cc1cc(NC(=O)NC[C@@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000415412723 391406460 /nfs/dbraw/zinc/40/64/60/391406460.db2.gz CNHBBYDKMMMALK-NSHDSACASA-N 1 0 278.312 1.777 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000415586842 391467817 /nfs/dbraw/zinc/46/78/17/391467817.db2.gz WAMAMLVZVAAKIN-SNVBAGLBSA-N 1 0 278.312 1.695 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC1=CC[NH2+]CC1 ZINC000415506403 391468315 /nfs/dbraw/zinc/46/83/15/391468315.db2.gz RJWUYMGXSFDRJI-UHFFFAOYSA-N 1 0 290.323 1.944 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415628122 391469663 /nfs/dbraw/zinc/46/96/63/391469663.db2.gz DOTHHRKELCZZOX-QMMMGPOBSA-N 1 0 270.264 1.593 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000323258108 391414811 /nfs/dbraw/zinc/41/48/11/391414811.db2.gz GBISQVPRFWCNOS-DGCLKSJQSA-N 1 0 250.298 1.906 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000567925264 391548039 /nfs/dbraw/zinc/54/80/39/391548039.db2.gz HVFHUCGMSPIBTF-VHSXEESVSA-N 1 0 280.328 1.249 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H](C[NH3+])C[C@H]1C ZINC000228085645 391587621 /nfs/dbraw/zinc/58/76/21/391587621.db2.gz QQRMCBFEOMRFTA-NXEZZACHSA-N 1 0 250.302 1.472 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)ccc1[N+](=O)[O-] ZINC000189306127 129951282 /nfs/dbraw/zinc/95/12/82/129951282.db2.gz CYRXZHWYTMSBDV-PWSUYJOCSA-N 1 0 277.324 1.774 20 5 CDBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000458177294 391858192 /nfs/dbraw/zinc/85/81/92/391858192.db2.gz VJUMMZMXUSIZRM-SNVBAGLBSA-N 1 0 280.328 1.385 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CCCC[NH3+] ZINC000495143071 391905877 /nfs/dbraw/zinc/90/58/77/391905877.db2.gz XDOUITLXVXEOBS-VIFPVBQESA-N 1 0 280.328 1.546 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000416307977 391984878 /nfs/dbraw/zinc/98/48/78/391984878.db2.gz NYMGEBBHQZNKKT-UHFFFAOYSA-N 1 0 278.312 1.001 20 5 CDBDRO COC(=O)CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000267105207 392077610 /nfs/dbraw/zinc/07/76/10/392077610.db2.gz VMWVMOGEVFYBIH-UHFFFAOYSA-N 1 0 284.316 1.065 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000237459461 131033044 /nfs/dbraw/zinc/03/30/44/131033044.db2.gz MYSUNBKJAGFSKH-ZETCQYMHSA-N 1 0 255.249 1.153 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000238061884 131075382 /nfs/dbraw/zinc/07/53/82/131075382.db2.gz DNMAACNNUYWEJR-NSHDSACASA-N 1 0 293.323 1.171 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261716298 131164347 /nfs/dbraw/zinc/16/43/47/131164347.db2.gz POYNOJQGWZQGSW-JRPNMDOOSA-N 1 0 291.351 1.640 20 5 CDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C[NH3+] ZINC000262555623 131232717 /nfs/dbraw/zinc/23/27/17/131232717.db2.gz XKSFWXGRWYKQNW-VIFPVBQESA-N 1 0 297.380 1.929 20 5 CDBDRO CN(CC(C)(C)C[NH3+])C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000262585997 131237055 /nfs/dbraw/zinc/23/70/55/131237055.db2.gz OQRQDXYGMUMFBU-UHFFFAOYSA-N 1 0 298.318 1.373 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000262726152 131256294 /nfs/dbraw/zinc/25/62/94/131256294.db2.gz HFMGGVBTQFTMLX-CBAPKCEASA-N 1 0 269.326 1.384 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000262824969 131265265 /nfs/dbraw/zinc/26/52/65/131265265.db2.gz TVRZWTRFOTXMCS-GHMZBOCLSA-N 1 0 277.324 1.346 20 5 CDBDRO C[NH2+]CCCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417858083 392874280 /nfs/dbraw/zinc/87/42/80/392874280.db2.gz URDZXCMORSCKDQ-LLVKDONJSA-N 1 0 294.355 1.873 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CNCCO1 ZINC000423556162 392964449 /nfs/dbraw/zinc/96/44/49/392964449.db2.gz HWBGLODFTJIWCO-AAEUAGOBSA-N 1 0 279.340 1.104 20 5 CDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])s3)[C@@H]2C1 ZINC000425052110 392985632 /nfs/dbraw/zinc/98/56/32/392985632.db2.gz VBCRFGXXVRDWBH-VHSXEESVSA-N 1 0 295.364 1.823 20 5 CDBDRO [NH3+][C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430611036 393102503 /nfs/dbraw/zinc/10/25/03/393102503.db2.gz NGRGRKDKAFJXBU-JTQLQIEISA-N 1 0 251.286 1.007 20 5 CDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC([NH3+])CC1 ZINC000430614362 393103036 /nfs/dbraw/zinc/10/30/36/393103036.db2.gz YKKIPGXOMZEORX-JTQLQIEISA-N 1 0 292.339 1.345 20 5 CDBDRO CC[N@H+](CCOCCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000281990633 393165189 /nfs/dbraw/zinc/16/51/89/393165189.db2.gz IGMIJTMLXRRNSL-UHFFFAOYSA-N 1 0 298.339 1.304 20 5 CDBDRO COCC[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000282085379 393171857 /nfs/dbraw/zinc/17/18/57/393171857.db2.gz CEMYQWLGAMMDNL-JTQLQIEISA-N 1 0 288.731 1.735 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000277034530 393123104 /nfs/dbraw/zinc/12/31/04/393123104.db2.gz JGCPYLHVZKWJNJ-LURJTMIESA-N 1 0 291.229 1.691 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCOCCO ZINC000449231213 393132312 /nfs/dbraw/zinc/13/23/12/393132312.db2.gz OHCRSSXFFRKIEG-GFCCVEGCSA-N 1 0 282.340 1.514 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449638243 393137177 /nfs/dbraw/zinc/13/71/77/393137177.db2.gz JUQFOYICYCROLG-WCQYABFASA-N 1 0 291.351 1.771 20 5 CDBDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000449720917 393138902 /nfs/dbraw/zinc/13/89/02/393138902.db2.gz TUWGCSXEJLMMHA-BXUZGUMPSA-N 1 0 296.323 1.497 20 5 CDBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@@H]1C ZINC000487953354 393354771 /nfs/dbraw/zinc/35/47/71/393354771.db2.gz KGURUPFPXYDFCJ-JSGCOSHPSA-N 1 0 296.371 1.928 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000166705268 139929239 /nfs/dbraw/zinc/92/92/39/139929239.db2.gz UEBAAGAQGJWIQT-LLVKDONJSA-N 1 0 277.324 1.775 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2(O)CCC2)cc1 ZINC000283918815 296504035 /nfs/dbraw/zinc/50/40/35/296504035.db2.gz IPHMZRSEJHUMIJ-UHFFFAOYSA-N 1 0 250.298 1.990 20 5 CDBDRO Cc1cccc(NC[C@@](C)(O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000218870651 140165095 /nfs/dbraw/zinc/16/50/95/140165095.db2.gz FASNRHNABMENPZ-CYBMUJFWSA-N 1 0 267.329 1.628 20 5 CDBDRO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000228103416 140190359 /nfs/dbraw/zinc/19/03/59/140190359.db2.gz HAMHQYIUDNXMHV-OUCADQQQSA-N 1 0 292.335 1.806 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000235647025 140236827 /nfs/dbraw/zinc/23/68/27/140236827.db2.gz MLBIBFZTNLPINP-GXSJLCMTSA-N 1 0 263.297 1.322 20 5 CDBDRO CCCC[C@@H]([NH3+])C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000236745760 140243049 /nfs/dbraw/zinc/24/30/49/140243049.db2.gz JEWADMZXGOPIHR-LLVKDONJSA-N 1 0 294.355 1.640 20 5 CDBDRO COCC[C@](C)(O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255915402 140336935 /nfs/dbraw/zinc/33/69/35/140336935.db2.gz IMCHNPUUEFSIPQ-PKYBCLHXSA-N 1 0 294.351 1.985 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@](C)(C[NH3+])C1 ZINC000261553052 140346180 /nfs/dbraw/zinc/34/61/80/140346180.db2.gz AAULWGQBRHZAKV-LBPRGKRZSA-N 1 0 250.302 1.473 20 5 CDBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH3+] ZINC000261581010 140354855 /nfs/dbraw/zinc/35/48/55/140354855.db2.gz QHARAPJLKFVNET-PRHODGIISA-N 1 0 253.277 1.513 20 5 CDBDRO C[NH2+][C@H](C)Cc1noc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000261669085 140373512 /nfs/dbraw/zinc/37/35/12/140373512.db2.gz GBXDVSKGMPYBBJ-MRVPVSSYSA-N 1 0 262.269 1.795 20 5 CDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C1 ZINC000423208350 397602901 /nfs/dbraw/zinc/60/29/01/397602901.db2.gz TVDSOPMRXGGVOP-JQWIXIFHSA-N 1 0 292.339 1.263 20 5 CDBDRO Cn1c(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000036257871 397923333 /nfs/dbraw/zinc/92/33/33/397923333.db2.gz STKQWDMNHRWWPT-SNVBAGLBSA-N 1 0 292.339 1.338 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)[C@H](C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000262018090 149001579 /nfs/dbraw/zinc/00/15/79/149001579.db2.gz AAHQANWOVRZCKM-GHMZBOCLSA-N 1 0 291.351 1.936 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000262078192 149010748 /nfs/dbraw/zinc/01/07/48/149010748.db2.gz XKSKKDKOYBFXPU-GHMZBOCLSA-N 1 0 293.323 1.169 20 5 CDBDRO COc1cc(C[NH2+][C@H](C(N)=O)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000352525126 155249886 /nfs/dbraw/zinc/24/98/86/155249886.db2.gz DVJNEWBRMAOCSG-GFCCVEGCSA-N 1 0 295.339 1.593 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000322965134 292931853 /nfs/dbraw/zinc/93/18/53/292931853.db2.gz VPPRXERZIZRABF-SNVBAGLBSA-N 1 0 281.312 1.088 20 5 CDBDRO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343438823 152177458 /nfs/dbraw/zinc/17/74/58/152177458.db2.gz LUJNEIAQJSNQOJ-GWCFXTLKSA-N 1 0 277.324 1.807 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([NH3+])C1 ZINC000346068857 153042171 /nfs/dbraw/zinc/04/21/71/153042171.db2.gz JHSADBZIMRFFIS-GFCCVEGCSA-N 1 0 279.340 1.917 20 5 CDBDRO C[NH2+][C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000346681258 153270574 /nfs/dbraw/zinc/27/05/74/153270574.db2.gz CQQAJHIXWJVSKZ-DIECRNLCSA-N 1 0 261.325 1.902 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000347072962 153401761 /nfs/dbraw/zinc/40/17/61/153401761.db2.gz ZSIABCOYLOOCMP-JTQLQIEISA-N 1 0 280.328 1.385 20 5 CDBDRO CCOc1ccc(C(=O)N[C@@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000349942047 154280870 /nfs/dbraw/zinc/28/08/70/154280870.db2.gz XPBPREXCXQWUAZ-VIFPVBQESA-N 1 0 281.312 1.461 20 5 CDBDRO Cc1c(C[N@@H+]2CC[C@H](n3cncn3)C2)cccc1[N+](=O)[O-] ZINC000375331431 160369512 /nfs/dbraw/zinc/36/95/12/160369512.db2.gz HBWXNTWCIRPETM-ZDUSSCGKSA-N 1 0 287.323 1.942 20 5 CDBDRO CC(C)[N@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000356092174 157350589 /nfs/dbraw/zinc/35/05/89/157350589.db2.gz NKCMDMSNWCEEIM-UHFFFAOYSA-N 1 0 278.312 1.674 20 5 CDBDRO C[C@@H]([NH2+]CCNc1cnccn1)c1ccc([N+](=O)[O-])cc1 ZINC000361971250 159028618 /nfs/dbraw/zinc/02/86/18/159028618.db2.gz KTAXRTOODJWYEQ-LLVKDONJSA-N 1 0 287.323 1.569 20 5 CDBDRO COc1cc(C[NH2+][C@@H](CO)C(C)C)c([N+](=O)[O-])cc1F ZINC000362179578 159092682 /nfs/dbraw/zinc/09/26/82/159092682.db2.gz LUZIKWCKJUIPME-NSHDSACASA-N 1 0 286.303 1.849 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000362446624 159150495 /nfs/dbraw/zinc/15/04/95/159150495.db2.gz IVDNAZICKNRTNR-MNOVXSKESA-N 1 0 280.328 1.329 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2C2CC2)c1 ZINC000371844827 160057060 /nfs/dbraw/zinc/05/70/60/160057060.db2.gz VOAFFRCRTPZDTR-LBPRGKRZSA-N 1 0 250.302 1.666 20 5 CDBDRO CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCCO1 ZINC000371885746 160059652 /nfs/dbraw/zinc/05/96/52/160059652.db2.gz KEPLOFRWURUJED-UHFFFAOYSA-N 1 0 268.317 1.292 20 5 CDBDRO C[C@H]1CC(=O)NCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000372385740 160115005 /nfs/dbraw/zinc/11/50/05/160115005.db2.gz QOPNYFSWKUFIPL-JTQLQIEISA-N 1 0 263.297 1.305 20 5 CDBDRO COC[C@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000020557034 171250366 /nfs/dbraw/zinc/25/03/66/171250366.db2.gz XVNZDTJAXCYFMC-VIFPVBQESA-N 1 0 254.286 1.728 20 5 CDBDRO CC(C)[C@@H](O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285101949 196197444 /nfs/dbraw/zinc/19/74/44/196197444.db2.gz KJBVLZHKFPLCKE-RNCFNFMXSA-N 1 0 267.329 1.845 20 5 CDBDRO CN1CC[C@H]([N@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000285395731 196271889 /nfs/dbraw/zinc/27/18/89/196271889.db2.gz SUXIGRHLRMSTTR-ZDUSSCGKSA-N 1 0 277.324 1.300 20 5 CDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000285402546 196273847 /nfs/dbraw/zinc/27/38/47/196273847.db2.gz CQDPFPWJJHFHIT-ZWKOPEQDSA-N 1 0 266.297 1.347 20 5 CDBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676223 174373825 /nfs/dbraw/zinc/37/38/25/174373825.db2.gz AYZCJNKQXVUTTH-MFKMUULPSA-N 1 0 279.340 1.627 20 5 CDBDRO Cc1cc(C(=O)NC[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000044501392 175185761 /nfs/dbraw/zinc/18/57/61/175185761.db2.gz RHORPBBVJAJXTN-NSHDSACASA-N 1 0 277.324 1.633 20 5 CDBDRO [NH3+]CC1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000044512840 175188425 /nfs/dbraw/zinc/18/84/25/175188425.db2.gz TZLRVFZSFWFQRE-UHFFFAOYSA-N 1 0 269.326 1.467 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000044537771 175200039 /nfs/dbraw/zinc/20/00/39/175200039.db2.gz FJTIHMLWALFGKJ-JTQLQIEISA-N 1 0 292.339 1.447 20 5 CDBDRO COCCOCC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000044725316 175238125 /nfs/dbraw/zinc/23/81/25/175238125.db2.gz RJHANDFFEJNYCP-UHFFFAOYSA-N 1 0 284.312 1.356 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000071142892 176040550 /nfs/dbraw/zinc/04/05/50/176040550.db2.gz WXWFLNNQYURIEC-VIFPVBQESA-N 1 0 281.287 1.415 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000071144267 176041315 /nfs/dbraw/zinc/04/13/15/176041315.db2.gz WUDIFLVCDROCEH-JTQLQIEISA-N 1 0 278.312 1.668 20 5 CDBDRO COc1ccc(C(=O)N(C)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000071310119 176117203 /nfs/dbraw/zinc/11/72/03/176117203.db2.gz HRTUCBDUMRNJFE-JTQLQIEISA-N 1 0 279.296 1.037 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[NH2+]C1 ZINC000071397210 176150643 /nfs/dbraw/zinc/15/06/43/176150643.db2.gz HQFYZUJFFBHZBY-SNVBAGLBSA-N 1 0 264.285 1.468 20 5 CDBDRO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CCN1CCOCC1 ZINC000071907397 176296202 /nfs/dbraw/zinc/29/62/02/176296202.db2.gz VNRMBDGVYFMKTO-UHFFFAOYSA-N 1 0 293.367 1.401 20 5 CDBDRO O=C(COC1CC[NH2+]CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000077252262 177240191 /nfs/dbraw/zinc/24/01/91/177240191.db2.gz XWMXENQYEDKMEG-UHFFFAOYSA-N 1 0 279.296 1.302 20 5 CDBDRO CN1CC[NH2+]C[C@@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000394764453 270338894 /nfs/dbraw/zinc/33/88/94/270338894.db2.gz BFKYHAIHPSYNIV-SECBINFHSA-N 1 0 286.282 1.189 20 5 CDBDRO CC(C)[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H](C)[NH3+] ZINC000399718130 270375286 /nfs/dbraw/zinc/37/52/86/270375286.db2.gz HGOHWJSGXVYOCC-MFKMUULPSA-N 1 0 279.340 1.830 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000516917557 270497288 /nfs/dbraw/zinc/49/72/88/270497288.db2.gz POASUOJJFHPEHT-WDEREUQCSA-N 1 0 279.344 1.154 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C)C[NH2+]1 ZINC000086467679 274331207 /nfs/dbraw/zinc/33/12/07/274331207.db2.gz PUTFTGPIVWFMBE-SFYZADRCSA-N 1 0 253.258 1.010 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000442786508 274399984 /nfs/dbraw/zinc/39/99/84/274399984.db2.gz ZMQNUVRWEMRGAC-NXEZZACHSA-N 1 0 267.304 1.903 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[NH2+]CC1 ZINC000422708838 274686218 /nfs/dbraw/zinc/68/62/18/274686218.db2.gz JMQUAADIRDPXOE-UHFFFAOYSA-N 1 0 291.351 1.956 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[NH2+]CC1 ZINC000037467179 275012761 /nfs/dbraw/zinc/01/27/61/275012761.db2.gz ZBYBTPRULKVFEO-UHFFFAOYSA-N 1 0 255.299 1.092 20 5 CDBDRO CC(C)c1ccc(C(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000422699064 276048976 /nfs/dbraw/zinc/04/89/76/276048976.db2.gz CIPFSLQKJVFXEH-UHFFFAOYSA-N 1 0 277.324 1.764 20 5 CDBDRO C[NH+](C)CC1(NC(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000281010327 276781683 /nfs/dbraw/zinc/78/16/83/276781683.db2.gz FHCMCFSTJOEXCZ-UHFFFAOYSA-N 1 0 277.324 1.809 20 5 CDBDRO CN(CC[NH3+])c1c(Br)cncc1[N+](=O)[O-] ZINC000234281821 276942355 /nfs/dbraw/zinc/94/23/55/276942355.db2.gz OMQWJAYITRYDBJ-UHFFFAOYSA-N 1 0 275.106 1.147 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncccc3[N+](=O)[O-])CC[C@H]21 ZINC000268866016 277070633 /nfs/dbraw/zinc/07/06/33/277070633.db2.gz SQIFWFXVQCGKIJ-VXGBXAGGSA-N 1 0 276.340 1.910 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3c(F)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000450776284 277149872 /nfs/dbraw/zinc/14/98/72/277149872.db2.gz HFRUNNFOGFLBAU-SKDRFNHKSA-N 1 0 265.288 1.874 20 5 CDBDRO CNC(=O)[C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000291998442 277249609 /nfs/dbraw/zinc/24/96/09/277249609.db2.gz XLKBIDQSZOGCJC-ZANVPECISA-N 1 0 277.324 1.696 20 5 CDBDRO COc1cccc(N2CC[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000261796181 277456174 /nfs/dbraw/zinc/45/61/74/277456174.db2.gz QURFXYHCIIWNOO-AWEZNQCLSA-N 1 0 277.324 1.793 20 5 CDBDRO COC[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000120397947 277587293 /nfs/dbraw/zinc/58/72/93/277587293.db2.gz FBUJLXPVKJHEFI-QWRGUYRKSA-N 1 0 295.339 1.936 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000216206873 277938163 /nfs/dbraw/zinc/93/81/63/277938163.db2.gz VDOLNZDUOJZZHS-VHSXEESVSA-N 1 0 265.313 1.777 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH3+])c1 ZINC000347660927 278174917 /nfs/dbraw/zinc/17/49/17/278174917.db2.gz XFEGBMSNYINCMH-SSDOTTSWSA-N 1 0 269.326 1.394 20 5 CDBDRO C[C@@H](CC(N)=O)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000358180013 278223679 /nfs/dbraw/zinc/22/36/79/278223679.db2.gz RUZLIBJORZXGDR-NSHDSACASA-N 1 0 279.340 1.771 20 5 CDBDRO C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000361969174 278381465 /nfs/dbraw/zinc/38/14/65/278381465.db2.gz ABQKZQLXQDZRMG-MFKMUULPSA-N 1 0 277.324 1.866 20 5 CDBDRO C[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@@H](C)[NH+]1C ZINC000338795417 278805327 /nfs/dbraw/zinc/80/53/27/278805327.db2.gz PACWBXMPISONJU-NXEZZACHSA-N 1 0 292.339 1.223 20 5 CDBDRO C[C@@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090795116 279000116 /nfs/dbraw/zinc/00/01/16/279000116.db2.gz ZAUYEQCUJISKJM-NXEZZACHSA-N 1 0 250.302 1.884 20 5 CDBDRO C[C@@H]1[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000345308467 279124440 /nfs/dbraw/zinc/12/44/40/279124440.db2.gz XMDKPQXOXFKPSQ-MWLCHTKSSA-N 1 0 292.339 1.390 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000237583619 279157689 /nfs/dbraw/zinc/15/76/89/279157689.db2.gz ZPIBCDYRJHYRKN-JTQLQIEISA-N 1 0 278.312 1.252 20 5 CDBDRO C[C@H](C[NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000262584472 279285297 /nfs/dbraw/zinc/28/52/97/279285297.db2.gz VBLMXRHRGGUUJY-SECBINFHSA-N 1 0 263.297 1.074 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[C@H]2CO)cs1 ZINC000230677788 280117811 /nfs/dbraw/zinc/11/78/11/280117811.db2.gz RLSUDVIXXNTYFV-UWVGGRQHSA-N 1 0 256.327 1.907 20 5 CDBDRO C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000245411384 280205960 /nfs/dbraw/zinc/20/59/60/280205960.db2.gz WPZCBYKHWNVUAN-QWRGUYRKSA-N 1 0 252.318 1.912 20 5 CDBDRO CCC(CC)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000524758517 281113632 /nfs/dbraw/zinc/11/36/32/281113632.db2.gz BLALATAABUUERM-AWEZNQCLSA-N 1 0 296.371 1.805 20 5 CDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C[NH+](C)C ZINC000282546684 289072125 /nfs/dbraw/zinc/07/21/25/289072125.db2.gz RYABQPPEDVOWGL-UHFFFAOYSA-N 1 0 265.313 1.157 20 5 CDBDRO COCCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548826068 289935342 /nfs/dbraw/zinc/93/53/42/289935342.db2.gz IYWGLUKTHHHCSO-UHFFFAOYSA-N 1 0 281.312 1.550 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000562938373 293220417 /nfs/dbraw/zinc/22/04/17/293220417.db2.gz KNHQCYOMSVUSFK-SNVBAGLBSA-N 1 0 280.328 1.100 20 5 CDBDRO CC(C)OCC[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000562985065 293233344 /nfs/dbraw/zinc/23/33/44/293233344.db2.gz GPBOOEBKQDHDDF-AWEZNQCLSA-N 1 0 282.340 1.860 20 5 CDBDRO CNc1ccc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000563108944 293276969 /nfs/dbraw/zinc/27/69/69/293276969.db2.gz RPJPYEGRQXGNSZ-UWVGGRQHSA-N 1 0 292.339 1.446 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000567915736 293907113 /nfs/dbraw/zinc/90/71/13/293907113.db2.gz KPMORLDZCOOMQB-IUCAKERBSA-N 1 0 278.312 1.047 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)CSC ZINC000570444343 294239255 /nfs/dbraw/zinc/23/92/55/294239255.db2.gz PBMVEJYGTAVVJF-LLVKDONJSA-N 1 0 286.353 1.417 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC23CCC(CC2)C3)c1 ZINC000573437571 294817051 /nfs/dbraw/zinc/81/70/51/294817051.db2.gz FMKRHYWZQSLKJV-HRDQMINSSA-N 1 0 294.355 1.322 20 5 CDBDRO CCOC(=O)c1cc(-c2nc(CN)no2)cc([N+](=O)[O-])c1 ZINC000575058629 295094096 /nfs/dbraw/zinc/09/40/96/295094096.db2.gz LJJBDGILBZHXNR-UHFFFAOYSA-N 1 0 292.251 1.280 20 5 CDBDRO COc1cccc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c1[N+](=O)[O-] ZINC000423440653 295287538 /nfs/dbraw/zinc/28/75/38/295287538.db2.gz AUHOBYBNQAKHRI-UWVGGRQHSA-N 1 0 293.323 1.413 20 5 CDBDRO COc1cccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000423594875 295288180 /nfs/dbraw/zinc/28/81/80/295288180.db2.gz PDQQYSZNPJJLNW-NXEZZACHSA-N 1 0 293.323 1.603 20 5 CDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1c([N+](=O)[O-])ncn1C ZINC000267667404 300220169 /nfs/dbraw/zinc/22/01/69/300220169.db2.gz OWCDHKGVBHKHGW-VHSXEESVSA-N 1 0 267.333 1.105 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000131921385 300490531 /nfs/dbraw/zinc/49/05/31/300490531.db2.gz DYKWLPWRHRIJTM-DTWKUNHWSA-N 1 0 281.287 1.543 20 5 CDBDRO COCC[C@](C)(O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563820010 316377548 /nfs/dbraw/zinc/37/75/48/316377548.db2.gz AXMYOCLWHXKVBV-HIFRSBDPSA-N 1 0 294.351 1.959 20 5 CDBDRO CC(=O)NCC[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000576108591 317076719 /nfs/dbraw/zinc/07/67/19/317076719.db2.gz HVLATJPEYMQYHE-UHFFFAOYSA-N 1 0 265.313 1.471 20 5 CDBDRO CC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCO1 ZINC000182277497 323271354 /nfs/dbraw/zinc/27/13/54/323271354.db2.gz RKCKKDXPWSGKCE-QWRGUYRKSA-N 1 0 268.317 1.339 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000381361844 323626428 /nfs/dbraw/zinc/62/64/28/323626428.db2.gz KKLSLVDUKDNUMM-IUCAKERBSA-N 1 0 251.286 1.369 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1C[NH2+]C1 ZINC000582833552 325052105 /nfs/dbraw/zinc/05/21/05/325052105.db2.gz GUWKDYGBQSQMJA-UHFFFAOYSA-N 1 0 264.285 1.305 20 5 CDBDRO Cc1cc(O)c(O[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001218284310 1159491500 /nfs/dbraw/zinc/49/15/00/1159491500.db2.gz UZDYNJMMCKWCED-VIFPVBQESA-N 1 0 252.270 1.740 20 5 CDBDRO CNC(=O)c1ccc(NCCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000064904464 521849166 /nfs/dbraw/zinc/84/91/66/521849166.db2.gz CMNUWFPZTHFPPU-UHFFFAOYSA-N 1 0 280.328 1.318 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2C)C1 ZINC000052813019 522084294 /nfs/dbraw/zinc/08/42/94/522084294.db2.gz BZMHAJPHBYTDBN-LLVKDONJSA-N 1 0 264.329 1.734 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC1CCOCC1 ZINC000155703551 522999232 /nfs/dbraw/zinc/99/92/32/522999232.db2.gz YYOADGWLTVXFHW-UHFFFAOYSA-N 1 0 268.317 1.150 20 5 CDBDRO CN1C[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1=O ZINC000338950726 524012633 /nfs/dbraw/zinc/01/26/33/524012633.db2.gz DYSHXEOQEOEQNM-RNZFLTOJSA-N 1 0 275.308 1.428 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000261820423 536398092 /nfs/dbraw/zinc/39/80/92/536398092.db2.gz UHIDUMKZIHVHBQ-NXEZZACHSA-N 1 0 297.380 1.800 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000063193323 525018526 /nfs/dbraw/zinc/01/85/26/525018526.db2.gz KUIMQPULQIAAKW-BXUZGUMPSA-N 1 0 291.351 1.866 20 5 CDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CCC[NH2+]C1 ZINC000050162647 525334133 /nfs/dbraw/zinc/33/41/33/525334133.db2.gz OYMILLDUBLJIMP-RKDXNWHRSA-N 1 0 267.285 1.306 20 5 CDBDRO [NH3+]C1CCC(NC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000237853996 527140106 /nfs/dbraw/zinc/14/01/06/527140106.db2.gz AIZWDGFRCICGGB-UHFFFAOYSA-N 1 0 292.339 1.393 20 5 CDBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000051868563 527374432 /nfs/dbraw/zinc/37/44/32/527374432.db2.gz YXENJSQLZNVQQB-QMMMGPOBSA-N 1 0 253.214 1.244 20 5 CDBDRO Nc1c(C(=O)NCC[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000238062194 527426749 /nfs/dbraw/zinc/42/67/49/527426749.db2.gz LYSNVDALSNABID-JTQLQIEISA-N 1 0 292.339 1.297 20 5 CDBDRO CC(C)(C)[C@@H](C[NH3+])NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000420369973 535040676 /nfs/dbraw/zinc/04/06/76/535040676.db2.gz VNWYRIBKZHJACV-GFCCVEGCSA-N 1 0 294.355 1.157 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261834892 535968602 /nfs/dbraw/zinc/96/86/02/535968602.db2.gz VBAQHRUTMGDWAN-ZDUSSCGKSA-N 1 0 279.344 1.309 20 5 CDBDRO CCc1nn(C)c(NC[C@@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000091560901 536181087 /nfs/dbraw/zinc/18/10/87/536181087.db2.gz TWISGOLKTJNPLO-QMMMGPOBSA-N 1 0 253.306 1.055 20 5 CDBDRO CN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000774165668 575186009 /nfs/dbraw/zinc/18/60/09/575186009.db2.gz QOCJQQWBHCOWTE-YNEHKIRRSA-N 1 0 293.371 1.569 20 5 CDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000742240062 576591678 /nfs/dbraw/zinc/59/16/78/576591678.db2.gz IHVOVSMESYXYFI-LLVKDONJSA-N 1 0 277.324 1.809 20 5 CDBDRO C[C@H]1CCC[N@@H+]1CCNc1cccnc1[N+](=O)[O-] ZINC000742425960 576602462 /nfs/dbraw/zinc/60/24/62/576602462.db2.gz RKXBRDALRFRZSQ-JTQLQIEISA-N 1 0 250.302 1.886 20 5 CDBDRO C[C@H]([NH2+][C@@H](CO)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000763071534 576708831 /nfs/dbraw/zinc/70/88/31/576708831.db2.gz SAXRRBDOOKURJV-ZANVPECISA-N 1 0 293.323 1.282 20 5 CDBDRO O=[N+]([O-])c1cnn(CN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000749662893 576956934 /nfs/dbraw/zinc/95/69/34/576956934.db2.gz RTGALPRLKYLKOY-UHFFFAOYSA-N 1 0 293.371 1.699 20 5 CDBDRO COc1c(O)ccc(C[NH2+]C2(C)CCOCC2)c1[N+](=O)[O-] ZINC000893190392 617452514 /nfs/dbraw/zinc/45/25/14/617452514.db2.gz WWKWWDCRKUXRHX-UHFFFAOYSA-N 1 0 296.323 1.968 20 5 CDBDRO CC(C)[NH+]1CCC(Nc2c([N+](=O)[O-])cnn2C)CC1 ZINC000891571023 617483453 /nfs/dbraw/zinc/48/34/53/617483453.db2.gz IVPIZCCFANBCAH-UHFFFAOYSA-N 1 0 267.333 1.613 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NCC1CC[NH+](C)CC1 ZINC000892254063 617580299 /nfs/dbraw/zinc/58/02/99/617580299.db2.gz LCNDBLYKHYXLGH-UHFFFAOYSA-N 1 0 253.306 1.082 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC[C@]1([NH+](C)C)CCSC1 ZINC000892795532 617762690 /nfs/dbraw/zinc/76/26/90/617762690.db2.gz CCUAPXYRYHIRCQ-LLVKDONJSA-N 1 0 285.373 1.178 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000893874801 618122700 /nfs/dbraw/zinc/12/27/00/618122700.db2.gz ZYVOXKOWCSVYRM-NSHDSACASA-N 1 0 295.314 1.866 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1C[NH3+] ZINC000818009377 618492293 /nfs/dbraw/zinc/49/22/93/618492293.db2.gz QNPALQVAIDLMDM-ZJUUUORDSA-N 1 0 292.339 1.234 20 5 CDBDRO CC[N@@H+]1CC[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822673552 618554672 /nfs/dbraw/zinc/55/46/72/618554672.db2.gz TWQLTRFNVVUCJE-LLVKDONJSA-N 1 0 271.361 1.280 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000928244625 618598795 /nfs/dbraw/zinc/59/87/95/618598795.db2.gz AHOCRQPQJRQJLL-ZYHUDNBSSA-N 1 0 277.324 1.724 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)n1 ZINC000895246320 619492333 /nfs/dbraw/zinc/49/23/33/619492333.db2.gz MYMWFGPOLLPAAN-AAEUAGOBSA-N 1 0 293.371 1.344 20 5 CDBDRO CCO[C@@H]1CCC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000902882396 625569369 /nfs/dbraw/zinc/56/93/69/625569369.db2.gz RAHBNDCXHPXVAW-WCQYABFASA-N 1 0 282.344 1.729 20 5 CDBDRO COc1ccc(CN2CC[C@@H]3CC[C@@]32C[NH3+])cc1[N+](=O)[O-] ZINC000903858662 626119938 /nfs/dbraw/zinc/11/99/38/626119938.db2.gz XQFMEOBJKIMUGO-SWLSCSKDSA-N 1 0 291.351 1.917 20 5 CDBDRO C[C@@H]1C[C@H]([NH2+]CC[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000905235603 626717206 /nfs/dbraw/zinc/71/72/06/626717206.db2.gz BVWZJJOZQDDEII-GHMZBOCLSA-N 1 0 287.360 1.641 20 5 CDBDRO CN(Cc1ccccc1)C1(C[NH2+]CC[N+](=O)[O-])CCC1 ZINC000905272724 626728056 /nfs/dbraw/zinc/72/80/56/626728056.db2.gz JXAPXABPPCFWQJ-UHFFFAOYSA-N 1 0 277.368 1.907 20 5 CDBDRO CC(C)Oc1ccc([C@@H](O)C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905354914 626765786 /nfs/dbraw/zinc/76/57/86/626765786.db2.gz PJEFTQGBTLEBGM-ZDUSSCGKSA-N 1 0 268.313 1.374 20 5 CDBDRO [NH3+][C@@H]1CC[C@H](Cn2cc(Cl)cc([N+](=O)[O-])c2=O)C1 ZINC000905732311 626951987 /nfs/dbraw/zinc/95/19/87/626951987.db2.gz YWULMNQWFIJPBJ-IONNQARKSA-N 1 0 271.704 1.537 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000911657578 629403277 /nfs/dbraw/zinc/40/32/77/629403277.db2.gz WIHRXMZJAWZKRV-MRVWCRGKSA-N 1 0 289.335 1.519 20 5 CDBDRO CC[C@H](CO)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000915875620 631850193 /nfs/dbraw/zinc/85/01/93/631850193.db2.gz ULHKWQMQOFALRK-VHSXEESVSA-N 1 0 281.312 1.282 20 5 CDBDRO C[N@H+](CCNc1nc2ccccn2c1[N+](=O)[O-])C1CC1 ZINC000920337717 632759180 /nfs/dbraw/zinc/75/91/80/632759180.db2.gz KLFYZYZKMUAMBO-UHFFFAOYSA-N 1 0 275.312 1.749 20 5 CDBDRO Cc1c(N[C@H]2CC[N@@H+](C)C2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001167275704 1158555403 /nfs/dbraw/zinc/55/54/03/1158555403.db2.gz UVEKVXNKXMJGOY-VIFPVBQESA-N 1 0 280.284 1.927 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC001170319675 1162336815 /nfs/dbraw/zinc/33/68/15/1162336815.db2.gz YNGUIBZGDNIFEV-YGRLFVJLSA-N 1 0 294.351 1.895 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H](C)CO)c([N+](=O)[O-])c1 ZINC001170308121 1162339695 /nfs/dbraw/zinc/33/96/95/1162339695.db2.gz KOUWAILVKZGWAH-WDEREUQCSA-N 1 0 282.340 1.752 20 5 CDBDRO COc1nc(N2CCC[C@@H]([NH3+])[C@@H]2C)ccc1[N+](=O)[O-] ZINC001157731760 1162359653 /nfs/dbraw/zinc/35/96/53/1162359653.db2.gz FWSQKRXKZJGCEM-DTWKUNHWSA-N 1 0 266.301 1.314 20 5 CDBDRO C[C@H](Nc1cc2cc[nH]c2c([N+](=O)[O-])c1)[C@H]1C[NH2+]CCO1 ZINC001170571084 1162958538 /nfs/dbraw/zinc/95/85/38/1162958538.db2.gz XYMIIRXCWPMEMP-TVQRCGJNSA-N 1 0 290.323 1.865 20 5 CDBDRO C[NH2+]CCNc1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001167723177 1159575431 /nfs/dbraw/zinc/57/54/31/1159575431.db2.gz LNPCEGXDZOFCSC-UHFFFAOYSA-N 1 0 273.296 1.683 20 5 CDBDRO C[N+](C)(C)CCO[C@H](C[N+](=O)[O-])c1cccnc1 ZINC001224773243 1160873320 /nfs/dbraw/zinc/87/33/20/1160873320.db2.gz GTFFJOAXNNRGJM-GFCCVEGCSA-N 1 0 254.310 1.122 20 5 CDBDRO CC(C)Oc1nc(N(C)C(C)(C)C[NH3+])ccc1[N+](=O)[O-] ZINC001159058646 1164044920 /nfs/dbraw/zinc/04/49/20/1164044920.db2.gz AAQWCTLEQFAJRA-UHFFFAOYSA-N 1 0 282.344 1.951 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001155469986 1167183442 /nfs/dbraw/zinc/18/34/42/1167183442.db2.gz JKDBKTDJUNOPKN-LLVKDONJSA-N 1 0 292.339 1.479 20 5 CDBDRO CN(CCCC[NH+](C)C)c1nn(C)cc1[N+](=O)[O-] ZINC001307202522 1167457781 /nfs/dbraw/zinc/45/77/81/1167457781.db2.gz WTMFTFBACUOIEB-UHFFFAOYSA-N 1 0 255.322 1.106 20 5 CDBDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC001573960807 1170842427 /nfs/dbraw/zinc/84/24/27/1170842427.db2.gz LMDQXKRUOYDBFY-ZANVPECISA-N 1 0 294.311 1.004 20 5 CDBDRO C[C@H](C(=O)N[C@H]1C[NH2+]CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC001575071405 1171102354 /nfs/dbraw/zinc/10/23/54/1171102354.db2.gz XXXAJUNFLFQYFN-GWCFXTLKSA-N 1 0 289.335 1.567 20 5 CDBDRO NC(=O)c1ccc(N2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000070171334 1171646285 /nfs/dbraw/zinc/64/62/85/1171646285.db2.gz PTINUXKKMIHDQH-SNVBAGLBSA-N 1 0 292.339 1.259 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001578607035 1171960743 /nfs/dbraw/zinc/96/07/43/1171960743.db2.gz SEXUBSHHSLTSCC-SECBINFHSA-N 1 0 282.275 1.560 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC001580449926 1172439149 /nfs/dbraw/zinc/43/91/49/1172439149.db2.gz XWBKELYYSLUYDW-JTQLQIEISA-N 1 0 292.339 1.521 20 5 CDBDRO O=C(N[C@@H]1CC[NH2+]C[C@H]1F)c1cc([N+](=O)[O-])ccc1F ZINC001580616873 1172486037 /nfs/dbraw/zinc/48/60/37/1172486037.db2.gz NISDFBLHEYJMIM-GHMZBOCLSA-N 1 0 285.250 1.164 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(O[C@@H]2CCC[NH2+]C2)c1 ZINC000155936124 1178168870 /nfs/dbraw/zinc/16/88/70/1178168870.db2.gz ZVVPXRHATIAJAC-SNVBAGLBSA-N 1 0 252.270 1.734 20 5 CDBDRO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C(F)F ZINC001753164914 1182221852 /nfs/dbraw/zinc/22/18/52/1182221852.db2.gz AOPQCEGBRJEJNN-UHFFFAOYSA-N 1 0 287.266 1.408 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H](C[NH3+])C(C)(C)C ZINC001160911920 1164268196 /nfs/dbraw/zinc/26/81/96/1164268196.db2.gz GHBABHTYDFAXTL-JTQLQIEISA-N 1 0 296.327 1.562 20 5 CDBDRO Cc1c(C[NH2+][C@H]2C[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000923005180 743300641 /nfs/dbraw/zinc/30/06/41/743300641.db2.gz KWILPOMZRBRTRR-UMSPYCQHSA-N 1 0 250.298 1.764 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000843503571 742846380 /nfs/dbraw/zinc/84/63/80/742846380.db2.gz LIYGCVFHQUIHLJ-NXEZZACHSA-N 1 0 294.355 1.516 20 5 CDBDRO C[NH+](C)CCCOC(=O)c1ccccc1[N+](=O)[O-] ZINC000789945637 743266696 /nfs/dbraw/zinc/26/66/96/743266696.db2.gz MIDOPEZTCXDFFQ-UHFFFAOYSA-N 1 0 252.270 1.703 20 5 CDBDRO CC(C)CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867943021 743341427 /nfs/dbraw/zinc/34/14/27/743341427.db2.gz JVJMADVISWHEAD-CYBMUJFWSA-N 1 0 265.313 1.541 20 5 CDBDRO O=C1NCCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000839195429 743485015 /nfs/dbraw/zinc/48/50/15/743485015.db2.gz JDRYRNNIOPUXRL-JTQLQIEISA-N 1 0 297.742 1.864 20 5 CDBDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000932647756 743499131 /nfs/dbraw/zinc/49/91/31/743499131.db2.gz REDVOEVSOQIGMB-GFCCVEGCSA-N 1 0 278.308 1.980 20 5 CDBDRO CC[C@]1(O)CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000879313724 743577015 /nfs/dbraw/zinc/57/70/15/743577015.db2.gz OFPWFLNMXHILJE-CABCVRRESA-N 1 0 294.351 1.865 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1COCC[C@H]1O ZINC000866498447 743580722 /nfs/dbraw/zinc/58/07/22/743580722.db2.gz ZPMUDKOSZQUHPS-MRCXROJRSA-N 1 0 298.314 1.404 20 5 CDBDRO CC[NH2+]CC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000818465243 744966224 /nfs/dbraw/zinc/96/62/24/744966224.db2.gz BHDWMJNHBIKQIU-UHFFFAOYSA-N 1 0 294.355 1.431 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801897914 744979339 /nfs/dbraw/zinc/97/93/39/744979339.db2.gz KSNBIZCSOBDTIU-UHFFFAOYSA-N 1 0 298.318 1.386 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCOC2)c1 ZINC000818974797 744993894 /nfs/dbraw/zinc/99/38/94/744993894.db2.gz FOGFMKFJFKFRRR-GXFFZTMASA-N 1 0 266.297 1.254 20 5 CDBDRO C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000922644850 745012939 /nfs/dbraw/zinc/01/29/39/745012939.db2.gz DBUMYILOHZTTFF-GWCFXTLKSA-N 1 0 292.339 1.659 20 5 CDBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000704244956 745025399 /nfs/dbraw/zinc/02/53/99/745025399.db2.gz BZAZKHVWJLSVKB-VIFPVBQESA-N 1 0 299.714 1.048 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886816536 745251360 /nfs/dbraw/zinc/25/13/60/745251360.db2.gz VKDSAJRQFOYIMJ-AAEUAGOBSA-N 1 0 277.324 1.991 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1COCC[NH2+]1 ZINC000863483912 745276571 /nfs/dbraw/zinc/27/65/71/745276571.db2.gz RJTGBOSHCBDNQP-NSHDSACASA-N 1 0 285.731 1.326 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCO[C@H]1CCOC1 ZINC000927082974 745329130 /nfs/dbraw/zinc/32/91/30/745329130.db2.gz ISLIWMYJRGSEOD-SMDDNHRTSA-N 1 0 292.335 1.977 20 5 CDBDRO Nc1nccc(C(=O)OCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000848787083 745345125 /nfs/dbraw/zinc/34/51/25/745345125.db2.gz MWPGXTWFKQYHKV-UHFFFAOYSA-N 1 0 294.311 1.215 20 5 CDBDRO Cc1cnc(N2CC[C@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000261603613 745389702 /nfs/dbraw/zinc/38/97/02/745389702.db2.gz QUTPWBZPHKJPMR-WDEREUQCSA-N 1 0 262.313 1.486 20 5 CDBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886277623 745389949 /nfs/dbraw/zinc/38/99/49/745389949.db2.gz WVYMVFYUKXENLI-WCQYABFASA-N 1 0 279.340 1.973 20 5 CDBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCC[NH+](C)C ZINC000807916372 745563625 /nfs/dbraw/zinc/56/36/25/745563625.db2.gz SDJUAIWFRBZVFP-UHFFFAOYSA-N 1 0 251.286 1.771 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804429178 745610367 /nfs/dbraw/zinc/61/03/67/745610367.db2.gz GBPURIFMPYPICG-VIFPVBQESA-N 1 0 280.284 1.867 20 5 CDBDRO CC(C)[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001040699775 745784043 /nfs/dbraw/zinc/78/40/43/745784043.db2.gz FTNBYGTVVBYBNU-CHWSQXEVSA-N 1 0 295.383 1.375 20 5 CDBDRO CN(CC[NH+](C)C)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804531871 745849623 /nfs/dbraw/zinc/84/96/23/745849623.db2.gz ISBRPGVAVQYMQY-UHFFFAOYSA-N 1 0 268.273 1.501 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000870961883 745859804 /nfs/dbraw/zinc/85/98/04/745859804.db2.gz HZMVSLMTRDSHRE-LLVKDONJSA-N 1 0 265.313 1.517 20 5 CDBDRO CN(C)C(=O)NCCN(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801526172 745880639 /nfs/dbraw/zinc/88/06/39/745880639.db2.gz CIHOUCZLTRKYNC-UHFFFAOYSA-N 1 0 298.318 1.437 20 5 CDBDRO Cc1c(NC(=O)[C@@H](C)N(C)C[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000863568152 745899505 /nfs/dbraw/zinc/89/95/05/745899505.db2.gz HYJVSGWOUIVJRI-MWLCHTKSSA-N 1 0 294.355 1.509 20 5 CDBDRO C[C@H]1COC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000922641956 745997254 /nfs/dbraw/zinc/99/72/54/745997254.db2.gz SJYREFVRRVCWBK-TVQRCGJNSA-N 1 0 294.307 1.586 20 5 CDBDRO CC[C@@H](CO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000844256837 745997665 /nfs/dbraw/zinc/99/76/65/745997665.db2.gz IJFDSODANGSAAN-NSHDSACASA-N 1 0 295.339 1.592 20 5 CDBDRO CCC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)COC1 ZINC000819356966 746007183 /nfs/dbraw/zinc/00/71/83/746007183.db2.gz OBZSSNDBEDSANO-CYBMUJFWSA-N 1 0 280.324 1.644 20 5 CDBDRO Cc1c(CC(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)cccc1[N+](=O)[O-] ZINC000884360176 746062089 /nfs/dbraw/zinc/06/20/89/746062089.db2.gz WOCPEYOOUSRUKS-QWHCGFSZSA-N 1 0 291.351 1.688 20 5 CDBDRO C[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581126 746627979 /nfs/dbraw/zinc/62/79/79/746627979.db2.gz DYQMFUYMZAKVGN-GXFFZTMASA-N 1 0 250.298 1.970 20 5 CDBDRO C[C@@H]1CN(CC[N+](=O)[O-])[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000930147303 746653363 /nfs/dbraw/zinc/65/33/63/746653363.db2.gz BWPGIHLTNWYEDD-UONOGXRCSA-N 1 0 277.368 1.858 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](c3ccccn3)C2)n1 ZINC000799191133 746749394 /nfs/dbraw/zinc/74/93/94/746749394.db2.gz XFAYXIXMDJWCAE-GFCCVEGCSA-N 1 0 287.323 1.676 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823316196 746817484 /nfs/dbraw/zinc/81/74/84/746817484.db2.gz YJVOHZDFHPSERS-UHFFFAOYSA-N 1 0 259.350 1.278 20 5 CDBDRO CON(C)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000850479594 746833673 /nfs/dbraw/zinc/83/36/73/746833673.db2.gz XSFPLCYYXBBKSZ-NEPJUHHUSA-N 1 0 297.359 1.358 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2(CO)CCCC2)cc1 ZINC000160155666 746878329 /nfs/dbraw/zinc/87/83/29/746878329.db2.gz RZAGSWLMNDWHAT-CQSZACIVSA-N 1 0 294.351 1.771 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)s1 ZINC000785798954 746882486 /nfs/dbraw/zinc/88/24/86/746882486.db2.gz ZPPKDRIHPJBBFK-UWVGGRQHSA-N 1 0 283.353 1.931 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc(C[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000089713503 746883970 /nfs/dbraw/zinc/88/39/70/746883970.db2.gz NZSPHWVZXPHAFH-VIFPVBQESA-N 1 0 274.280 1.797 20 5 CDBDRO COC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)OC ZINC000783664292 746894625 /nfs/dbraw/zinc/89/46/25/746894625.db2.gz KYZQZDFFURXHTN-JTQLQIEISA-N 1 0 288.731 1.999 20 5 CDBDRO C[NH+](C)[C@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)C1CC1 ZINC000865513156 746953533 /nfs/dbraw/zinc/95/35/33/746953533.db2.gz WQTSXCPHVOUOSL-CQSZACIVSA-N 1 0 297.330 1.978 20 5 CDBDRO Cc1cc(Cc2noc(C3(C[NH3+])CC3)n2)ccc1[N+](=O)[O-] ZINC000843192765 747004977 /nfs/dbraw/zinc/00/49/77/747004977.db2.gz ZASWRPNSZORKAK-UHFFFAOYSA-N 1 0 288.307 1.867 20 5 CDBDRO CC(C)(O)[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000879963173 747095343 /nfs/dbraw/zinc/09/53/43/747095343.db2.gz YIEXQPBHOPKDAT-LLVKDONJSA-N 1 0 282.344 1.274 20 5 CDBDRO Cc1nn(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000840090375 747137055 /nfs/dbraw/zinc/13/70/55/747137055.db2.gz QJAJYVWXJPFGRH-AOOOYVTPSA-N 1 0 267.333 1.082 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000041028544 747397114 /nfs/dbraw/zinc/39/71/14/747397114.db2.gz VNDFJENECYKQTH-MRVPVSSYSA-N 1 0 283.715 1.812 20 5 CDBDRO C[C@H](CCO)[N@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000930176369 747709677 /nfs/dbraw/zinc/70/96/77/747709677.db2.gz DYTRYVUNZXQRKB-GFCCVEGCSA-N 1 0 252.314 1.536 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420395338 747769469 /nfs/dbraw/zinc/76/94/69/747769469.db2.gz BNSCLHWQTOXCMZ-HNNXBMFYSA-N 1 0 291.351 1.931 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000857008056 747830863 /nfs/dbraw/zinc/83/08/63/747830863.db2.gz BDMDVLUFWFWZQQ-OTYXRUKQSA-N 1 0 290.323 1.130 20 5 CDBDRO CN(CCC[NH3+])C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000133754544 747868218 /nfs/dbraw/zinc/86/82/18/747868218.db2.gz LWFBVENJYSQPKC-UHFFFAOYSA-N 1 0 271.704 1.669 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000839647811 748110080 /nfs/dbraw/zinc/11/00/80/748110080.db2.gz WKYZKQSYWUZYFG-MFKMUULPSA-N 1 0 298.314 1.611 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868337933 748195307 /nfs/dbraw/zinc/19/53/07/748195307.db2.gz KWSKAJMEKUKAHD-VIFPVBQESA-N 1 0 283.303 1.343 20 5 CDBDRO CCN(C)C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867948090 748320410 /nfs/dbraw/zinc/32/04/10/748320410.db2.gz XXCGJFQDIYUYSX-GFCCVEGCSA-N 1 0 251.286 1.247 20 5 CDBDRO C[NH+](C)C[C@H](CO)Nc1ccc([N+](=O)[O-])cc1C(F)F ZINC000716679181 748345647 /nfs/dbraw/zinc/34/56/47/748345647.db2.gz NKWXGTHMGODGOL-MRVPVSSYSA-N 1 0 289.282 1.867 20 5 CDBDRO C[C@H](O)[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592162 748521534 /nfs/dbraw/zinc/52/15/34/748521534.db2.gz ZOURXEAJIIXAJJ-LNSITVRQSA-N 1 0 294.351 1.721 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701067947 748561747 /nfs/dbraw/zinc/56/17/47/748561747.db2.gz KZJBFOAJULZVIK-ZETCQYMHSA-N 1 0 271.704 1.715 20 5 CDBDRO C[C@@H]([NH2+]CCN1CCNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000886740819 748540480 /nfs/dbraw/zinc/54/04/80/748540480.db2.gz JXWSXGYICXDUHA-SNVBAGLBSA-N 1 0 278.312 1.271 20 5 CDBDRO C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000086468397 748646906 /nfs/dbraw/zinc/64/69/06/748646906.db2.gz LNSBSXVUKOCTFR-NXEZZACHSA-N 1 0 278.312 1.809 20 5 CDBDRO CCn1nccc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000853132655 748723512 /nfs/dbraw/zinc/72/35/12/748723512.db2.gz BBBVIVDZQMBXQT-CQSZACIVSA-N 1 0 290.323 1.634 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCO[C@@H]2CCOC2)c1 ZINC000724999931 748785901 /nfs/dbraw/zinc/78/59/01/748785901.db2.gz UZYNMDJTQKXMPO-CYBMUJFWSA-N 1 0 266.297 1.490 20 5 CDBDRO C[N@H+](CCCF)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000887141285 748913458 /nfs/dbraw/zinc/91/34/58/748913458.db2.gz MYADTFQIIWZWAG-LLVKDONJSA-N 1 0 286.303 1.626 20 5 CDBDRO Cc1c(C[NH2+]C[C@@]2(O)CCOC2)cccc1[N+](=O)[O-] ZINC000227132537 749066445 /nfs/dbraw/zinc/06/64/45/749066445.db2.gz BGFNIVKVODGUGF-ZDUSSCGKSA-N 1 0 266.297 1.144 20 5 CDBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000845671343 749266523 /nfs/dbraw/zinc/26/65/23/749266523.db2.gz JAJFIMPBYLTPFV-JTQLQIEISA-N 1 0 293.323 1.818 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001173223575 912311389 /nfs/dbraw/zinc/31/13/89/912311389.db2.gz AZHHJAAXSSAXJO-YPMHNXCESA-N 1 0 291.351 1.723 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CNC(=O)C1(C)C ZINC001173229308 912319267 /nfs/dbraw/zinc/31/92/67/912319267.db2.gz MNNNQLXQXYWSOA-MFKMUULPSA-N 1 0 291.351 1.640 20 5 CDBDRO COC(=O)CC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173236160 912331187 /nfs/dbraw/zinc/33/11/87/912331187.db2.gz YKMFISHLQWXDAN-SNVBAGLBSA-N 1 0 266.297 1.679 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)O ZINC001173210386 912333716 /nfs/dbraw/zinc/33/37/16/912333716.db2.gz KFTNILTZMGSHGF-JTQLQIEISA-N 1 0 252.314 1.886 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cnc(CC[NH3+])n1 ZINC001173212977 912335540 /nfs/dbraw/zinc/33/55/40/912335540.db2.gz DUNBFTZSMPYMAA-JTQLQIEISA-N 1 0 275.312 1.491 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(C)C(=O)C1 ZINC001173214215 912334695 /nfs/dbraw/zinc/33/46/95/912334695.db2.gz NINFVJKFTKBESF-YPMHNXCESA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCOCCO ZINC001173213860 912336391 /nfs/dbraw/zinc/33/63/91/912336391.db2.gz ICBFWTNVFSOCRU-NSHDSACASA-N 1 0 268.313 1.124 20 5 CDBDRO CC(C)(F)C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001122562989 913832802 /nfs/dbraw/zinc/83/28/02/913832802.db2.gz OVPAOGFBOZPFED-UHFFFAOYSA-N 1 0 289.332 1.610 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1COC[C@@H]1C ZINC000699805435 914291303 /nfs/dbraw/zinc/29/13/03/914291303.db2.gz KWXCZONBRPKAQD-CABZTGNLSA-N 1 0 266.297 1.728 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC(=N)SCC[NH3+])c1 ZINC001167915526 902232461 /nfs/dbraw/zinc/23/24/61/902232461.db2.gz IFHNPVKQWLVGTK-UHFFFAOYSA-N 1 0 298.324 1.420 20 5 CDBDRO Cc1cc(C)cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001225245227 902515110 /nfs/dbraw/zinc/51/51/10/902515110.db2.gz RELZOJAQEJTFRA-CYBMUJFWSA-N 1 0 266.361 1.666 20 5 CDBDRO COCC[NH+]1CCC(Oc2cc([N+](=O)[O-])ccc2O)CC1 ZINC001229395020 908144117 /nfs/dbraw/zinc/14/41/17/908144117.db2.gz DQWJZLIMAIVCTC-UHFFFAOYSA-N 1 0 296.323 1.790 20 5 CDBDRO C[N@@H+]1CCC[C@H](OCc2ccc([N+](=O)[O-])nc2)CC1 ZINC001224108894 909165540 /nfs/dbraw/zinc/16/55/40/909165540.db2.gz MGMYVSLCSBXOEC-LBPRGKRZSA-N 1 0 265.313 1.991 20 5 CDBDRO [NH3+]Cc1nnnn1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901351 912039422 /nfs/dbraw/zinc/03/94/22/912039422.db2.gz MKGWYSGWVZZMKN-LLVKDONJSA-N 1 0 288.311 1.160 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+](C2CCC2)C1 ZINC001161177879 936411675 /nfs/dbraw/zinc/41/16/75/936411675.db2.gz VHXRTFHRWGSLSU-VIFPVBQESA-N 1 0 277.328 1.611 20 5 CDBDRO CCC1(Nc2ncc(F)c(C)c2[N+](=O)[O-])C[NH2+]C1 ZINC001168581134 919275927 /nfs/dbraw/zinc/27/59/27/919275927.db2.gz SJUSRQSDVGZIGH-UHFFFAOYSA-N 1 0 254.265 1.601 20 5 CDBDRO [NH3+][C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923281557 923700525 /nfs/dbraw/zinc/70/05/25/923700525.db2.gz MPSOECYFBJTGNE-WCQYABFASA-N 1 0 265.313 1.051 20 5 CDBDRO CCOc1cnc(-n2cc(CC[NH3+])cn2)c([N+](=O)[O-])c1 ZINC001168948337 927553869 /nfs/dbraw/zinc/55/38/69/927553869.db2.gz MTPWGZSLFMWBEE-UHFFFAOYSA-N 1 0 277.284 1.075 20 5 CDBDRO [NH3+]CCN(c1cccnc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168976997 927562211 /nfs/dbraw/zinc/56/22/11/927562211.db2.gz GRJKQYRXMCZKNL-NEPJUHHUSA-N 1 0 264.329 1.292 20 5 CDBDRO CCOC(=O)[C@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168983424 927570915 /nfs/dbraw/zinc/57/09/15/927570915.db2.gz JYJBIXZOOTZBSQ-NDBYEHHHSA-N 1 0 284.356 1.753 20 5 CDBDRO O=C(NCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001168985269 927573386 /nfs/dbraw/zinc/57/33/86/927573386.db2.gz SMSKZNJHZRFMAR-OCCSQVGLSA-N 1 0 297.399 1.718 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)C1 ZINC001168961198 927581739 /nfs/dbraw/zinc/58/17/39/927581739.db2.gz HRFNPOHSVAOBQO-WAZAZEMKSA-N 1 0 276.336 1.680 20 5 CDBDRO CN(C(=O)CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC1 ZINC001168963190 927584011 /nfs/dbraw/zinc/58/40/11/927584011.db2.gz OOVPRIHUIKQCSH-MNOVXSKESA-N 1 0 269.345 1.032 20 5 CDBDRO Cc1ccnc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168964490 927586963 /nfs/dbraw/zinc/58/69/63/927586963.db2.gz UCXKRTAINJOOBI-MNOVXSKESA-N 1 0 250.302 1.320 20 5 CDBDRO Cc1cnc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)nc1 ZINC001168963955 927587442 /nfs/dbraw/zinc/58/74/42/927587442.db2.gz QVTNTPJXQHCFFD-MNOVXSKESA-N 1 0 250.302 1.320 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3cccnn3)CC2)C1 ZINC001168973292 927596469 /nfs/dbraw/zinc/59/64/69/927596469.db2.gz NTBGAXNDHAXFBH-MNOVXSKESA-N 1 0 262.313 1.501 20 5 CDBDRO CCn1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168972646 927597449 /nfs/dbraw/zinc/59/74/49/927597449.db2.gz NOMHZHUUNQBTNS-MNOVXSKESA-N 1 0 252.318 1.438 20 5 CDBDRO COC(=O)[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168975860 927599270 /nfs/dbraw/zinc/59/92/70/927599270.db2.gz XQFACRJUQZHXQW-LPWJVIDDSA-N 1 0 284.356 1.753 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H](CO)c2ccccc2F)C1 ZINC001168997214 927602713 /nfs/dbraw/zinc/60/27/13/927602713.db2.gz BXNYHNIOZNBGSC-MISXGVKJSA-N 1 0 282.315 1.894 20 5 CDBDRO CCOc1cc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)ncn1 ZINC001168997005 927603275 /nfs/dbraw/zinc/60/32/75/927603275.db2.gz AWHNJNAJIBJFLO-WDEREUQCSA-N 1 0 280.328 1.410 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](CO)c2cccnc2)C1 ZINC001169003112 927605224 /nfs/dbraw/zinc/60/52/24/927605224.db2.gz NJTMMQYWRJGALO-WXHSDQCUSA-N 1 0 265.313 1.150 20 5 CDBDRO CC(C)Oc1ccnc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001169006254 927608938 /nfs/dbraw/zinc/60/89/38/927608938.db2.gz GLCNOXZKCVDQAC-NEPJUHHUSA-N 1 0 294.355 1.799 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC(F)(F)[C@H](CO)C2)C1 ZINC001169005869 927609105 /nfs/dbraw/zinc/60/91/05/927609105.db2.gz DALRJLIGSBKSHK-OUAUKWLOSA-N 1 0 278.299 1.381 20 5 CDBDRO C[C@]1(O)CCCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169006833 927610760 /nfs/dbraw/zinc/61/07/60/927610760.db2.gz JNOKVXAQOPFIHC-XQQFMLRXSA-N 1 0 256.346 1.669 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@H](O)CO3)CC2)C1 ZINC001169013796 927619843 /nfs/dbraw/zinc/61/98/43/927619843.db2.gz WMGIWGUITWFFFF-AGIUHOORSA-N 1 0 284.356 1.048 20 5 CDBDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169013423 927620746 /nfs/dbraw/zinc/62/07/46/927620746.db2.gz UYBICCBBGNKFFC-MROQNXINSA-N 1 0 256.346 1.525 20 5 CDBDRO CC(=O)NCCCCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168989290 927627662 /nfs/dbraw/zinc/62/76/62/927627662.db2.gz VPQMIKYTUOEBEI-OLZOCXBDSA-N 1 0 271.361 1.328 20 5 CDBDRO O=C1CCC2(CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)O1 ZINC001169032983 927638835 /nfs/dbraw/zinc/63/88/35/927638835.db2.gz AMYIVDWYAVBZRW-VXGBXAGGSA-N 1 0 282.340 1.603 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(c3cccnn3)CC2)C1 ZINC001169033985 927642434 /nfs/dbraw/zinc/64/24/34/927642434.db2.gz DWLSSBNPWUHVIP-QWHCGFSZSA-N 1 0 291.355 1.044 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCCC3(C2)OCCO3)C1 ZINC001169038919 927650280 /nfs/dbraw/zinc/65/02/80/927650280.db2.gz LJTQYMRQHAWDJZ-NWDGAFQWSA-N 1 0 270.329 1.271 20 5 CDBDRO CN1C(=O)CCC12CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169055817 927673495 /nfs/dbraw/zinc/67/34/95/927673495.db2.gz QNMKGZCNFADUPV-QWHCGFSZSA-N 1 0 295.383 1.519 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(-n2nncc2C[NH3+])c1F ZINC001169312216 927919456 /nfs/dbraw/zinc/91/94/56/927919456.db2.gz RXEFMZRIKCEWQO-UHFFFAOYSA-N 1 0 251.221 1.082 20 5 CDBDRO CN1Cc2cc(-n3ccc(C[NH3+])c3)cc([N+](=O)[O-])c2N1 ZINC001169727008 928350713 /nfs/dbraw/zinc/35/07/13/928350713.db2.gz LEBBBAJHZBXNIC-UHFFFAOYSA-N 1 0 273.296 1.617 20 5 CDBDRO CN(C)c1ccc(NC[C@@H]2COCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001170044063 929133145 /nfs/dbraw/zinc/13/31/45/929133145.db2.gz JVKGBLBCYPOOAL-SNVBAGLBSA-N 1 0 280.328 1.061 20 5 CDBDRO C[NH+]1CCC(CNc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881894696 929912129 /nfs/dbraw/zinc/91/21/29/929912129.db2.gz KOIMDCOECSGLHG-UHFFFAOYSA-N 1 0 268.292 1.883 20 5 CDBDRO C[C@@H](Nc1cc(Cl)ncc1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001159498906 930308177 /nfs/dbraw/zinc/30/81/77/930308177.db2.gz RYVVDTJMOJRQIS-XCBNKYQSSA-N 1 0 286.719 1.432 20 5 CDBDRO CC(C)([NH3+])CNc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001160025086 931148396 /nfs/dbraw/zinc/14/83/96/931148396.db2.gz IHHGWCQXQCBVPX-UHFFFAOYSA-N 1 0 255.234 1.047 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NC[C@H](C1CC1)[NH+](C)C ZINC001117252231 937504800 /nfs/dbraw/zinc/50/48/00/937504800.db2.gz UORKCELQHMTYGX-LLVKDONJSA-N 1 0 264.329 1.472 20 5 CDBDRO CC(C)(F)C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001154100986 937503433 /nfs/dbraw/zinc/50/34/33/937503433.db2.gz BIFJHYMVQDFJKV-UHFFFAOYSA-N 1 0 297.330 1.939 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@](C)([NH3+])C1 ZINC001246532602 931624217 /nfs/dbraw/zinc/62/42/17/931624217.db2.gz XCGTVIZSQZBENR-BXUZGUMPSA-N 1 0 263.341 1.949 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)CN1CC[NH2+]CC1 ZINC001154747977 937581815 /nfs/dbraw/zinc/58/18/15/937581815.db2.gz NTNNREAUDMJNCR-NSHDSACASA-N 1 0 279.344 1.004 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118131906 937594467 /nfs/dbraw/zinc/59/44/67/937594467.db2.gz ONYRMCNWAFEPAZ-DTWKUNHWSA-N 1 0 263.297 1.420 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001154986552 937617087 /nfs/dbraw/zinc/61/70/87/937617087.db2.gz SQZNNRSJUPYGHC-NXEZZACHSA-N 1 0 266.301 1.218 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1NC[C@@H]1CCCC[NH2+]1 ZINC001171326609 932678524 /nfs/dbraw/zinc/67/85/24/932678524.db2.gz COWCVEGMNPUJBP-QMMMGPOBSA-N 1 0 286.719 1.436 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ncnc1NC[C@@H]1CCCC[NH2+]1 ZINC001171326763 932678592 /nfs/dbraw/zinc/67/85/92/932678592.db2.gz DXEOXRLLCQWHPY-ZETCQYMHSA-N 1 0 271.708 1.592 20 5 CDBDRO Nc1ccnc(NC[C@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC001171329289 932688417 /nfs/dbraw/zinc/68/84/17/932688417.db2.gz HZJODIODTUDLQT-MRVPVSSYSA-N 1 0 251.290 1.126 20 5 CDBDRO CCOc1cnc(NC[C@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001171329512 932694641 /nfs/dbraw/zinc/69/46/41/932694641.db2.gz YBJXZDHYNYWNMT-SNVBAGLBSA-N 1 0 280.328 1.943 20 5 CDBDRO COc1cc(C)nc(NC[C@H]2C[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC001155101472 937635105 /nfs/dbraw/zinc/63/51/05/937635105.db2.gz WZHASTUPNWRLOD-PSASIEDQSA-N 1 0 280.328 1.717 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001155921198 937689253 /nfs/dbraw/zinc/68/92/53/937689253.db2.gz MCPMIBAKVCBOJP-MRVPVSSYSA-N 1 0 263.301 1.833 20 5 CDBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001122103521 937905707 /nfs/dbraw/zinc/90/57/07/937905707.db2.gz MYFIOVUKXQBOEA-RYUDHWBXSA-N 1 0 293.298 1.239 20 5 CDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC001122489356 937936549 /nfs/dbraw/zinc/93/65/49/937936549.db2.gz RJYITUYECISMEH-GUBZILKMSA-N 1 0 295.364 1.681 20 5 CDBDRO C[NH2+]CCNc1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001156892158 938430145 /nfs/dbraw/zinc/43/01/45/938430145.db2.gz NELDBIUVNOPISB-UHFFFAOYSA-N 1 0 281.703 1.823 20 5 CDBDRO [NH3+]CCc1ccn(-c2cc(Cl)cc([N+](=O)[O-])n2)n1 ZINC001156898746 938431472 /nfs/dbraw/zinc/43/14/72/938431472.db2.gz TYTGXHGQZCUGIU-UHFFFAOYSA-N 1 0 267.676 1.330 20 5 CDBDRO [NH3+]CCc1ccn(-c2nccc3ccc([N+](=O)[O-])cc32)n1 ZINC001156906033 938432189 /nfs/dbraw/zinc/43/21/89/938432189.db2.gz SKISCRNIBCCKRF-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO Cc1ccnc(N2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001157259691 938470467 /nfs/dbraw/zinc/47/04/67/938470467.db2.gz FJPFYHBNHUGPHO-VXGBXAGGSA-N 1 0 276.340 1.829 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCCN1c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001157732510 938537775 /nfs/dbraw/zinc/53/77/75/938537775.db2.gz JTAQIGVPVVUCQT-CBAPKCEASA-N 1 0 270.720 1.959 20 5 CDBDRO Cc1nc(-n2cc3c(n2)CC[C@H]([NH3+])C3)ccc1[N+](=O)[O-] ZINC001157979054 938571005 /nfs/dbraw/zinc/57/10/05/938571005.db2.gz BKUGAUXWYUTMMT-JTQLQIEISA-N 1 0 273.296 1.300 20 5 CDBDRO CCN(c1cc(OC)c([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]C1 ZINC001158203588 938594957 /nfs/dbraw/zinc/59/49/57/938594957.db2.gz AJHWSQYPLIIJFO-SNVBAGLBSA-N 1 0 280.328 1.577 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@](C)(C[NH3+])C2)n1 ZINC001158679292 938649671 /nfs/dbraw/zinc/64/96/71/938649671.db2.gz SYTYCDZDDMLRLI-ZDUSSCGKSA-N 1 0 295.343 1.267 20 5 CDBDRO [NH3+]Cc1ccn(-c2ncnc3cc([N+](=O)[O-])ccc32)c1 ZINC001158763326 938660804 /nfs/dbraw/zinc/66/08/04/938660804.db2.gz AGNQCUQFSYZAMG-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO Cc1c(C)c(N2CC[NH2+]C3(CC3)C2)ncc1[N+](=O)[O-] ZINC001158936833 938680178 /nfs/dbraw/zinc/68/01/78/938680178.db2.gz SFXFYWWFSBDALP-UHFFFAOYSA-N 1 0 262.313 1.549 20 5 CDBDRO C[NH+]1CC(CNc2cc(Cl)cc([N+](=O)[O-])n2)C1 ZINC001159218480 938712532 /nfs/dbraw/zinc/71/25/32/938712532.db2.gz PQQFLUJPNAAFRM-UHFFFAOYSA-N 1 0 256.693 1.617 20 5 CDBDRO C[C@H](Nc1nccc(Cl)c1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001159489733 938732528 /nfs/dbraw/zinc/73/25/28/938732528.db2.gz RBDKFCQRVUIMCN-CBAPKCEASA-N 1 0 286.719 1.432 20 5 CDBDRO Cc1ccnc(N[C@H](C)[C@@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001159497442 938734029 /nfs/dbraw/zinc/73/40/29/938734029.db2.gz NWZBEEGCSRGIOM-ZJUUUORDSA-N 1 0 266.301 1.087 20 5 CDBDRO C[C@@H]([NH3+])CCNc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001159773080 938751761 /nfs/dbraw/zinc/75/17/61/938751761.db2.gz VAPSQVPDBADYIX-ZCFIWIBFSA-N 1 0 260.681 1.031 20 5 CDBDRO O=[N+]([O-])c1ccnc(NC2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC001161464502 938904891 /nfs/dbraw/zinc/90/48/91/938904891.db2.gz YLHUIKJEBOUFRF-CYBMUJFWSA-N 1 0 291.355 1.228 20 5 CDBDRO [NH3+]C1CCN(CCNc2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001161867689 938937208 /nfs/dbraw/zinc/93/72/08/938937208.db2.gz WRYCAOUOEYVYFL-UHFFFAOYSA-N 1 0 299.762 1.478 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1N(CC[NH3+])c1ccc(F)cc1 ZINC001161880361 938939501 /nfs/dbraw/zinc/93/95/01/938939501.db2.gz HLJBOISGOZCMRP-UHFFFAOYSA-N 1 0 291.286 1.808 20 5 CDBDRO CC1(C)C[NH2+]C[C@H](CNc2cccc([N+](=O)[O-])n2)O1 ZINC001161954289 938948023 /nfs/dbraw/zinc/94/80/23/938948023.db2.gz RIEAPVRDPILTRL-SECBINFHSA-N 1 0 266.301 1.169 20 5 CDBDRO Cc1cnc(N[C@@H](C)CN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001162097584 938955693 /nfs/dbraw/zinc/95/56/93/938955693.db2.gz UXYJDXMWZNPFJW-NSHDSACASA-N 1 0 279.344 1.004 20 5 CDBDRO Cn1cc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCCC3)C2)n1 ZINC001162409344 939048668 /nfs/dbraw/zinc/04/86/68/939048668.db2.gz UKTFSUMCIVKACN-JTQLQIEISA-N 1 0 265.317 1.003 20 5 CDBDRO COc1ncnc(Nc2ccc(C[NH3+])c(F)c2)c1[N+](=O)[O-] ZINC001162525319 939078790 /nfs/dbraw/zinc/07/87/90/939078790.db2.gz NZOLTVALPBIHOM-UHFFFAOYSA-N 1 0 293.258 1.735 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(N[C@@H]3C=C[C@@H]4C[NH2+]C[C@@H]34)cnc2c1 ZINC001162789376 939139456 /nfs/dbraw/zinc/13/94/56/939139456.db2.gz DFTWESHWWVRPOT-YUSALJHKSA-N 1 0 297.318 1.724 20 5 CDBDRO Cc1cnc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC001163321173 939246421 /nfs/dbraw/zinc/24/64/21/939246421.db2.gz BGXWTLAFYZURER-SMDDNHRTSA-N 1 0 292.339 1.621 20 5 CDBDRO CN(CCC[NH+](C)C)c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001163597382 939291885 /nfs/dbraw/zinc/29/18/85/939291885.db2.gz GELGXJJOLXYKFZ-UHFFFAOYSA-N 1 0 277.328 1.859 20 5 CDBDRO C[NH2+]CCN(C)c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001163718782 939313839 /nfs/dbraw/zinc/31/38/39/939313839.db2.gz GHLXBQSISCNTLS-UHFFFAOYSA-N 1 0 280.115 1.347 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1N[C@H](C)C[NH+](C)C ZINC001163776751 939328926 /nfs/dbraw/zinc/32/89/26/939328926.db2.gz JSFPUTFJYDDCDR-MRVPVSSYSA-N 1 0 254.290 1.360 20 5 CDBDRO C[NH+](C)C1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001163933314 939356430 /nfs/dbraw/zinc/35/64/30/939356430.db2.gz FTWBLFVWDPILAR-UHFFFAOYSA-N 1 0 273.296 1.288 20 5 CDBDRO Cc1nc(N2CCC[C@@](C)(C[NH3+])CC2)ncc1[N+](=O)[O-] ZINC001164249545 939441668 /nfs/dbraw/zinc/44/16/68/939441668.db2.gz DVWSPEHAGZFRKS-CYBMUJFWSA-N 1 0 279.344 1.649 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1NOCC[NH3+] ZINC001164438961 939473360 /nfs/dbraw/zinc/47/33/60/939473360.db2.gz LEXOFPVRHREMQO-UHFFFAOYSA-N 1 0 289.675 1.337 20 5 CDBDRO Cc1nc(-n2ncc3c2CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001165219304 939526359 /nfs/dbraw/zinc/52/63/59/939526359.db2.gz VJMQRYKKPSPAAE-UHFFFAOYSA-N 1 0 259.269 1.130 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC001165236060 939530489 /nfs/dbraw/zinc/53/04/89/939530489.db2.gz DVNFTYUVQQHELA-CYBMUJFWSA-N 1 0 277.328 1.273 20 5 CDBDRO [NH3+][C@]12C[C@H]1CN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])C2 ZINC001165314241 939544558 /nfs/dbraw/zinc/54/45/58/939544558.db2.gz OSRUNTIYOKKEHC-RRAGMBSWSA-N 1 0 289.122 1.834 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C)OCC[NH+]1CCCCC1 ZINC001206709497 939577432 /nfs/dbraw/zinc/57/74/32/939577432.db2.gz MPVBLVBNKHPVLR-LBPRGKRZSA-N 1 0 296.371 1.991 20 5 CDBDRO [NH3+][C@@H]1CN(Cc2ccc3ccc4cccnc4c3n2)C[C@H]1O ZINC001205363592 939886147 /nfs/dbraw/zinc/88/61/47/939886147.db2.gz OBNWQZFSKBMILC-HUUCEWRRSA-N 1 0 294.358 1.287 20 5 CDBDRO CCN(c1ncc(F)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000401178735 940865122 /nfs/dbraw/zinc/86/51/22/940865122.db2.gz ZLMAIZAQNQNTCW-JTQLQIEISA-N 1 0 268.292 1.707 20 5 CDBDRO O=[N+]([O-])c1cc2cccnc2c(O[C@H]2CC[NH2+]C2)c1 ZINC001218182122 941042768 /nfs/dbraw/zinc/04/27/68/941042768.db2.gz OSWKBGLZMKQZBS-NSHDSACASA-N 1 0 259.265 1.884 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)nc1O[C@@H]1CCC[NH2+]C1 ZINC001218279865 941050846 /nfs/dbraw/zinc/05/08/46/941050846.db2.gz UKNCFDSBJWKAKT-SSDOTTSWSA-N 1 0 257.677 1.774 20 5 CDBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[NH2+]C2)nc1Cl ZINC001218283959 941051118 /nfs/dbraw/zinc/05/11/18/941051118.db2.gz MSGLRFWLVHNCHB-ZETCQYMHSA-N 1 0 257.677 1.774 20 5 CDBDRO COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1CCC[NH2+]C1 ZINC001218285840 941052286 /nfs/dbraw/zinc/05/22/86/941052286.db2.gz NVNJNNZBBTUJLE-LBPRGKRZSA-N 1 0 280.324 1.645 20 5 CDBDRO C[C@H](C[N+](C)(C)C)O[C@@H]1OC(=O)c2ccccc21 ZINC001223315240 941668969 /nfs/dbraw/zinc/66/89/69/941668969.db2.gz IKBFRLGHBFOCEZ-QMTHXVAHSA-N 1 0 250.318 1.967 20 5 CDBDRO C[C@H](C[N+](C)(C)C)O[C@H]1OC(=O)c2ccccc21 ZINC001223315241 941668995 /nfs/dbraw/zinc/66/89/95/941668995.db2.gz IKBFRLGHBFOCEZ-YGRLFVJLSA-N 1 0 250.318 1.967 20 5 CDBDRO CCOC(=O)N1CCC[C@@H](OCCC[N+](C)(C)C)C1 ZINC001224620113 941776329 /nfs/dbraw/zinc/77/63/29/941776329.db2.gz TXIZWKHNZCUHOF-CYBMUJFWSA-N 1 0 273.397 1.720 20 5 CDBDRO CC1(C)OC[C@H]2OC=C[C@@H](OCCC[N+](C)(C)C)[C@@H]2O1 ZINC001224621431 941777328 /nfs/dbraw/zinc/77/73/28/941777328.db2.gz UXSXXPLWHSARKO-MCIONIFRSA-N 1 0 286.392 1.532 20 5 CDBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc([N+](=O)[O-])cn1)C2 ZINC001225628068 941890552 /nfs/dbraw/zinc/89/05/52/941890552.db2.gz MKZXQZZTHHZSFC-PEGIJTEDSA-N 1 0 263.297 1.994 20 5 CDBDRO C[C@H](C[NH+](C)C)Oc1ncc(Cl)cc1[N+](=O)[O-] ZINC001226130877 941955470 /nfs/dbraw/zinc/95/54/70/941955470.db2.gz XBOLIOXQKFLMCM-SSDOTTSWSA-N 1 0 259.693 1.972 20 5 CDBDRO C[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])nc2)CC1 ZINC001226708811 942053240 /nfs/dbraw/zinc/05/32/40/942053240.db2.gz CVLMCYACTFNGCC-SNVBAGLBSA-N 1 0 251.286 1.853 20 5 CDBDRO CCOc1ccc(C)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001228722397 942367730 /nfs/dbraw/zinc/36/77/30/942367730.db2.gz BRCVHBSPALOIBX-CYBMUJFWSA-N 1 0 296.387 1.756 20 5 CDBDRO COC(=O)c1cc(O[C@@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001228769703 942373275 /nfs/dbraw/zinc/37/32/75/942373275.db2.gz YATDQBDCAFPNFW-LLVKDONJSA-N 1 0 280.280 1.464 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1c(O)cccc1Cl ZINC001229116284 942420918 /nfs/dbraw/zinc/42/09/18/942420918.db2.gz CWUNYGHTOGUFRY-SECBINFHSA-O 1 0 288.751 1.408 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1n[nH]c2cc(F)ccc21 ZINC001229168628 942427188 /nfs/dbraw/zinc/42/71/88/942427188.db2.gz CDENFQSJAZEFAE-SNVBAGLBSA-N 1 0 296.322 1.065 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2scnc2c1 ZINC001230233658 942593195 /nfs/dbraw/zinc/59/31/95/942593195.db2.gz QFCHEDWCMQWSGV-SNVBAGLBSA-N 1 0 295.384 1.659 20 5 CDBDRO CN1CCO[C@@H](COc2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001230915544 942734221 /nfs/dbraw/zinc/73/42/21/942734221.db2.gz QXVTZTIVONOYME-SECBINFHSA-N 1 0 286.715 1.958 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nccc2ccsc21 ZINC001231347237 942862146 /nfs/dbraw/zinc/86/21/46/942862146.db2.gz HSNDIQKAHWNUOS-LLVKDONJSA-N 1 0 295.384 1.659 20 5 CDBDRO Cc1ccnc([N+](=O)[O-])c1O[C@@H]1C[NH+]2CCC1CC2 ZINC001233556440 943616151 /nfs/dbraw/zinc/61/61/51/943616151.db2.gz MIVRPJZWDPMYSC-LLVKDONJSA-N 1 0 263.297 1.771 20 5 CDBDRO NCC1([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254472766 947451887 /nfs/dbraw/zinc/45/18/87/947451887.db2.gz MWIMPFBMKWGYEM-UHFFFAOYSA-N 1 0 290.367 1.645 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(C)(C)CN ZINC001254532913 947509674 /nfs/dbraw/zinc/50/96/74/947509674.db2.gz SNJFJZBJWMLBTQ-SNVBAGLBSA-N 1 0 251.330 1.853 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C)C1=O ZINC001254536790 947516000 /nfs/dbraw/zinc/51/60/00/947516000.db2.gz TVAWREZDNVEODA-PWSUYJOCSA-N 1 0 277.324 1.346 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC([NH+](C)C)C1 ZINC001254551045 947520349 /nfs/dbraw/zinc/52/03/49/947520349.db2.gz WKVZVTWCACSZFD-LLVKDONJSA-N 1 0 263.341 1.772 20 5 CDBDRO C[C@@]1(O)C[C@@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254573484 947532633 /nfs/dbraw/zinc/53/26/33/947532633.db2.gz AHILLSUZJSXUBJ-YRGRVCCFSA-N 1 0 262.309 1.565 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CC3(COC3)C1)C2 ZINC001254573523 947532927 /nfs/dbraw/zinc/53/29/27/947532927.db2.gz BHXRLENUJUNWCZ-LBPRGKRZSA-N 1 0 274.320 1.831 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1C[C@@H](CO)C1)C2 ZINC001254576537 947534772 /nfs/dbraw/zinc/53/47/72/947534772.db2.gz WZTJOJZZAZRDLP-JIMOISOXSA-N 1 0 262.309 1.423 20 5 CDBDRO CC(=O)N[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605559 947553145 /nfs/dbraw/zinc/55/31/45/947553145.db2.gz BOTRWGFCVGKJCD-UKRRQHHQSA-N 1 0 289.335 1.272 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CC12CC2 ZINC001246132132 947977677 /nfs/dbraw/zinc/97/76/77/947977677.db2.gz LCTKVBPICAKUIG-BXUZGUMPSA-N 1 0 275.352 1.867 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001326132909 954228467 /nfs/dbraw/zinc/22/84/67/954228467.db2.gz NHKQKLQZPOJIBI-NSHDSACASA-N 1 0 294.355 1.435 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001326308448 954313252 /nfs/dbraw/zinc/31/32/52/954313252.db2.gz BFRPGCMJBHFESS-VIFPVBQESA-N 1 0 299.302 1.227 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328723476 955441128 /nfs/dbraw/zinc/44/11/28/955441128.db2.gz AGSIAFLOXGSYMP-JTQLQIEISA-N 1 0 292.339 1.618 20 5 CDBDRO CC[N@H+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC001307235401 956381392 /nfs/dbraw/zinc/38/13/92/956381392.db2.gz NAEKMCCRZDKDGW-LLVKDONJSA-N 1 0 250.302 1.520 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001333178927 958133138 /nfs/dbraw/zinc/13/31/38/958133138.db2.gz WMRDOEUCJJUAQY-VIFPVBQESA-N 1 0 279.340 1.797 20 5 CDBDRO CC[C@@H](O)C[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC001335345533 959730812 /nfs/dbraw/zinc/73/08/12/959730812.db2.gz MISPPNFYLJMHTC-GFCCVEGCSA-N 1 0 253.302 1.367 20 5 CDBDRO CC1=NO[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001335426288 959793393 /nfs/dbraw/zinc/79/33/93/959793393.db2.gz OOYHXQGHBVAUTM-STQMWFEESA-N 1 0 279.296 1.383 20 5 CDBDRO C[C@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]CC[N+](=O)[O-] ZINC001335487187 959839250 /nfs/dbraw/zinc/83/92/50/959839250.db2.gz VLFDZVWUPQCRRJ-DZGCQCFKSA-N 1 0 277.368 1.763 20 5 CDBDRO CC(C)[NH+]1CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001336471654 960359975 /nfs/dbraw/zinc/35/99/75/960359975.db2.gz OCBDBJUBFZFHFA-UHFFFAOYSA-N 1 0 265.317 1.102 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001336745043 960536137 /nfs/dbraw/zinc/53/61/37/960536137.db2.gz LNPHJURYDMTCDQ-NSHDSACASA-N 1 0 271.361 1.422 20 5 CDBDRO C[N@H+](C[C@H](O)CN1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001323866041 961011587 /nfs/dbraw/zinc/01/15/87/961011587.db2.gz OCUXBVSGISVBTB-HNNXBMFYSA-N 1 0 291.351 1.366 20 5 CDBDRO Nc1cc(NCC2CC[NH+](C3CC3)CC2)ncc1[N+](=O)[O-] ZINC001337853656 961470840 /nfs/dbraw/zinc/47/08/40/961470840.db2.gz CNYNPRMZCRHLHH-UHFFFAOYSA-N 1 0 291.355 1.858 20 5 CDBDRO CC(C)[C@H](CN(C)C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001338549269 961874669 /nfs/dbraw/zinc/87/46/69/961874669.db2.gz FXBBQTNGUJLAFM-LSDHHAIUSA-N 1 0 295.383 1.804 20 5 CDBDRO COc1ccc(C(=O)NCCN2CC=CC2)cc1[N+](=O)[O-] ZINC001339493097 962384298 /nfs/dbraw/zinc/38/42/98/962384298.db2.gz LOMBDBKKBAHWLG-UHFFFAOYSA-N 1 0 291.307 1.205 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001340248182 962841459 /nfs/dbraw/zinc/84/14/59/962841459.db2.gz FHKGLIYXTDATJH-DRZSPHRISA-N 1 0 275.308 1.258 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]([NH3+])CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001340990200 963223875 /nfs/dbraw/zinc/22/38/75/963223875.db2.gz HQHNJSBIMFKTCE-XCBNKYQSSA-N 1 0 287.266 1.755 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341624331 963487218 /nfs/dbraw/zinc/48/72/18/963487218.db2.gz SHKASMXGFOEHBB-HZSPNIEDSA-N 1 0 289.335 1.648 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC001345856738 964835129 /nfs/dbraw/zinc/83/51/29/964835129.db2.gz VHLXEWGEOIBNNH-ZJUUUORDSA-N 1 0 292.339 1.507 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001346123872 964948052 /nfs/dbraw/zinc/94/80/52/964948052.db2.gz WMNXRKMJUIMARW-QWRGUYRKSA-N 1 0 294.355 1.953 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNc1cc(N)c([N+](=O)[O-])cn1 ZINC001347855756 965729897 /nfs/dbraw/zinc/72/98/97/965729897.db2.gz LQPSUJKTWQEOPS-SECBINFHSA-N 1 0 265.317 1.468 20 5 CDBDRO C[C@](O)(C[NH2+]CC[N+](=O)[O-])c1ccccc1Cl ZINC001353326310 967904566 /nfs/dbraw/zinc/90/45/66/967904566.db2.gz WRDFYVFIYBPOBO-NSHDSACASA-N 1 0 258.705 1.414 20 5 CDBDRO CN(CCNC(=O)CC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001100299211 967939610 /nfs/dbraw/zinc/93/96/10/967939610.db2.gz BZDQMIGWSBJHLQ-UHFFFAOYSA-N 1 0 294.355 1.099 20 5 CDBDRO C[C@H](NC(=O)NCC1C[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001353425776 967972785 /nfs/dbraw/zinc/97/27/85/967972785.db2.gz RZKMKSFIXDAXFH-VIFPVBQESA-N 1 0 278.312 1.174 20 5 CDBDRO C[C@H](C[NH2+]CC[N+](=O)[O-])CN(C)C(=O)OC(C)(C)C ZINC001356100076 969332142 /nfs/dbraw/zinc/33/21/42/969332142.db2.gz PQYCEDHNNSMELZ-SNVBAGLBSA-N 1 0 275.349 1.356 20 5 CDBDRO C[C@H](NC[C@]1(O)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC001573571440 1170696313 /nfs/dbraw/zinc/69/63/13/1170696313.db2.gz JOTFWADVNGGUTB-FZMZJTMJSA-N 1 0 279.340 1.360 20 5 CDBDRO CCOc1cc(CN2CC[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001578166136 1171825712 /nfs/dbraw/zinc/82/57/12/1171825712.db2.gz LLHCRSQKYTVWDN-NSHDSACASA-N 1 0 279.340 1.787 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000275832450 341978384 /nfs/dbraw/zinc/97/83/84/341978384.db2.gz YEWNNWOTMHWPTN-IUCAKERBSA-N 1 0 269.326 1.656 20 5 CDBDRO C[C@@H](CNc1ccnc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000601107555 342466809 /nfs/dbraw/zinc/46/68/09/342466809.db2.gz BBLOKEXGMJHKDV-JTQLQIEISA-N 1 0 274.324 1.927 20 5 CDBDRO O=[N+]([O-])c1ncccc1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000601179349 342487992 /nfs/dbraw/zinc/48/79/92/342487992.db2.gz QYARZVNMRLKDOD-LLVKDONJSA-N 1 0 280.328 1.249 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1NCC[N@H+]1CC[C@H](O)C1 ZINC000599201654 343980152 /nfs/dbraw/zinc/98/01/52/343980152.db2.gz HYOSRKXILCPKJV-JTQLQIEISA-N 1 0 269.276 1.212 20 5 CDBDRO COc1ccc(OCCN2C[C@@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000601330580 342554646 /nfs/dbraw/zinc/55/46/46/342554646.db2.gz UXZWCFWXSKEASV-MNOVXSKESA-N 1 0 295.339 1.404 20 5 CDBDRO CC(=O)N1CC([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000572780443 361741633 /nfs/dbraw/zinc/74/16/33/361741633.db2.gz KRPSMLAWBAGBNH-UHFFFAOYSA-N 1 0 263.297 1.224 20 5 CDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ncccc1[N+](=O)[O-] ZINC000590569135 342576292 /nfs/dbraw/zinc/57/62/92/342576292.db2.gz MDGIOAKXCPFVSC-VHSXEESVSA-N 1 0 250.302 1.519 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000590800108 342597725 /nfs/dbraw/zinc/59/77/25/342597725.db2.gz VUJFFZCQXONAJA-MFKMUULPSA-N 1 0 290.323 1.763 20 5 CDBDRO C[NH+](C)[C@H](CNc1cccnc1[N+](=O)[O-])C1CC1 ZINC000609288243 342100509 /nfs/dbraw/zinc/10/05/09/342100509.db2.gz GIDAXVNFBWBUAD-LLVKDONJSA-N 1 0 250.302 1.742 20 5 CDBDRO Cc1cc(N2CC[C@H]3CC[NH2+][C@@H]3C2)ncc1[N+](=O)[O-] ZINC000591436494 342631672 /nfs/dbraw/zinc/63/16/72/342631672.db2.gz BAQVDVLFAHKLAZ-GHMZBOCLSA-N 1 0 262.313 1.486 20 5 CDBDRO C[NH2+]CCCN(C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591285012 342623312 /nfs/dbraw/zinc/62/33/12/342623312.db2.gz UZWLUSASCFLGBM-UHFFFAOYSA-N 1 0 295.339 1.407 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000591437746 342631861 /nfs/dbraw/zinc/63/18/61/342631861.db2.gz JXHRDKCZMOMDII-JQWIXIFHSA-N 1 0 277.324 1.792 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591447883 342632838 /nfs/dbraw/zinc/63/28/38/342632838.db2.gz CACASUXYTBTZSV-FZMZJTMJSA-N 1 0 291.351 1.787 20 5 CDBDRO CCC(CC)(C[NH3+])NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000236750146 365686127 /nfs/dbraw/zinc/68/61/27/365686127.db2.gz YGKHILCDKRIDJE-UHFFFAOYSA-N 1 0 295.339 1.607 20 5 CDBDRO COc1cc(N2CC[C@@H]3CC[NH2+][C@H]3C2)ccc1[N+](=O)[O-] ZINC000591438612 342632044 /nfs/dbraw/zinc/63/20/44/342632044.db2.gz NVCAXFARBIXVSW-JQWIXIFHSA-N 1 0 277.324 1.792 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC3(CC[NH2+]C3)CC2)c(F)c1 ZINC000591440685 342632250 /nfs/dbraw/zinc/63/22/50/342632250.db2.gz KMGWSIFWTIRYNC-UHFFFAOYSA-N 1 0 280.303 1.709 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3[NH2+]CC[C@H]3C2)c(F)c1 ZINC000591440776 342632274 /nfs/dbraw/zinc/63/22/74/342632274.db2.gz XPPJJHLQIZJXGV-GZMMTYOYSA-N 1 0 266.276 1.317 20 5 CDBDRO CC1(C)C[NH2+][C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000591668561 342641180 /nfs/dbraw/zinc/64/11/80/342641180.db2.gz GVSHCFNKHXXXIS-LLVKDONJSA-N 1 0 263.297 1.209 20 5 CDBDRO CC(C)OCC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591760440 342644309 /nfs/dbraw/zinc/64/43/09/342644309.db2.gz FWHKUCKLKWDHOJ-ZDUSSCGKSA-N 1 0 298.339 1.349 20 5 CDBDRO CC1(C)C[C@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591736686 342644991 /nfs/dbraw/zinc/64/49/91/342644991.db2.gz FRNSDXZMSZKFJP-AAEUAGOBSA-N 1 0 294.351 1.970 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000592333596 342685637 /nfs/dbraw/zinc/68/56/37/342685637.db2.gz LAJKMGIHVGYBMH-SECBINFHSA-N 1 0 265.313 1.336 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1-c1nc([C@H]2CCC[NH2+]2)no1 ZINC000592356702 342688068 /nfs/dbraw/zinc/68/80/68/342688068.db2.gz FVOVLFGFDNTITA-MRVPVSSYSA-N 1 0 263.257 1.408 20 5 CDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1C[C@@H]1CC[NH2+]C1 ZINC000592158512 342670567 /nfs/dbraw/zinc/67/05/67/342670567.db2.gz KINKHZIFBMVKHP-MRVPVSSYSA-N 1 0 263.253 1.112 20 5 CDBDRO O=[N+]([O-])c1ccc(OC[C@@H]2CC[NH2+]C2)cc1CO ZINC000592167209 342671453 /nfs/dbraw/zinc/67/14/53/342671453.db2.gz HSBNALHRXQLIJW-SECBINFHSA-N 1 0 252.270 1.075 20 5 CDBDRO COC[C@H]1C[C@@H](O)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000593067151 342762002 /nfs/dbraw/zinc/76/20/02/342762002.db2.gz UXPBORSUDPVAPN-ZIAGYGMSSA-N 1 0 280.324 1.219 20 5 CDBDRO C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H](C)C[N@@H+]1C ZINC000593187562 342776229 /nfs/dbraw/zinc/77/62/29/342776229.db2.gz LYIVVDUVQDNPKB-AXFHLTTASA-N 1 0 294.355 1.486 20 5 CDBDRO O=C([C@H]1CCC[NH2+]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000592965719 342750876 /nfs/dbraw/zinc/75/08/76/342750876.db2.gz CQXOASPOMAGQRP-CQSZACIVSA-N 1 0 289.335 1.838 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H](CO)CCF ZINC000593690188 342823441 /nfs/dbraw/zinc/82/34/41/342823441.db2.gz UQAMFJYQANBLIZ-KTLBGCOUSA-N 1 0 268.288 1.918 20 5 CDBDRO Cc1cccc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000382466377 361937840 /nfs/dbraw/zinc/93/78/40/361937840.db2.gz MJQADHCQEAMVGH-MNOVXSKESA-N 1 0 277.324 1.760 20 5 CDBDRO Cc1ccc(NC(=O)[C@H](N)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000593903289 342853805 /nfs/dbraw/zinc/85/38/05/342853805.db2.gz XPJINWYBBPKZBH-LLVKDONJSA-N 1 0 280.328 1.121 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2nc3c(s2)C[NH2+]CC3)cn1 ZINC000600788298 342249405 /nfs/dbraw/zinc/24/94/05/342249405.db2.gz HGFOFZDOUIZSAV-UHFFFAOYSA-N 1 0 262.294 1.759 20 5 CDBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000609382838 342264308 /nfs/dbraw/zinc/26/43/08/342264308.db2.gz FJVKZBASSPECDO-CYBMUJFWSA-N 1 0 289.335 1.809 20 5 CDBDRO C[NH2+]C1(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CCC1 ZINC000600824255 342251343 /nfs/dbraw/zinc/25/13/43/342251343.db2.gz MEOCKIYGOKXKEF-UHFFFAOYSA-N 1 0 277.324 1.775 20 5 CDBDRO C[NH2+]C1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCC1 ZINC000600825348 342251717 /nfs/dbraw/zinc/25/17/17/342251717.db2.gz SHDOYKYQYPRNCY-UHFFFAOYSA-N 1 0 269.326 1.528 20 5 CDBDRO C[C@@H](CO)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594501983 342914459 /nfs/dbraw/zinc/91/44/59/342914459.db2.gz ACGHQCOXOWXLFQ-SKDRFNHKSA-N 1 0 250.298 1.800 20 5 CDBDRO C[NH2+]C1(CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CCC1 ZINC000600825960 342251747 /nfs/dbraw/zinc/25/17/47/342251747.db2.gz WITSCFMDYUWQGL-UHFFFAOYSA-N 1 0 293.323 1.475 20 5 CDBDRO C[NH2+]C1(CNC(=O)c2cc(C)ccc2[N+](=O)[O-])CCC1 ZINC000600826216 342251838 /nfs/dbraw/zinc/25/18/38/342251838.db2.gz YPVJCZLFCUYRJZ-UHFFFAOYSA-N 1 0 277.324 1.775 20 5 CDBDRO O=[N+]([O-])c1ccc(-n2cc(C3CC[NH2+]CC3)nn2)nc1 ZINC000594650543 342932638 /nfs/dbraw/zinc/93/26/38/342932638.db2.gz XNSFFTXBMBXGFZ-UHFFFAOYSA-N 1 0 274.284 1.038 20 5 CDBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(CO)CC1 ZINC000594964907 342990791 /nfs/dbraw/zinc/99/07/91/342990791.db2.gz CUZYZMSGNCSZRI-SNVBAGLBSA-N 1 0 250.298 1.845 20 5 CDBDRO COCC[C@@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041148 342998302 /nfs/dbraw/zinc/99/83/02/342998302.db2.gz YSLFNAHKPJWEQZ-MNOVXSKESA-N 1 0 298.339 1.651 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C/C=C\CO ZINC000595069772 343002240 /nfs/dbraw/zinc/00/22/40/343002240.db2.gz KUIGINFMCFAPKJ-UMBAGQNISA-N 1 0 266.297 1.803 20 5 CDBDRO CC[NH+](CC)[C@H]1CCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595330514 343036624 /nfs/dbraw/zinc/03/66/24/343036624.db2.gz KHZUWLLOBIVABU-NSHDSACASA-N 1 0 282.344 1.807 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](CCCO)C1CC1 ZINC000404338372 349771685 /nfs/dbraw/zinc/77/16/85/349771685.db2.gz QWENHBNGXZICEI-UHFFFAOYSA-N 1 0 280.324 1.950 20 5 CDBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595343822 343043502 /nfs/dbraw/zinc/04/35/02/343043502.db2.gz FBOPODULXQFQDK-SECBINFHSA-N 1 0 283.303 1.548 20 5 CDBDRO Cc1noc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1[N+](=O)[O-] ZINC000595513591 343082583 /nfs/dbraw/zinc/08/25/83/343082583.db2.gz WZUIEVVOQKBTCB-FXAINCCUSA-N 1 0 281.312 1.794 20 5 CDBDRO CCN1CC[C@H]([N@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000595485956 343074911 /nfs/dbraw/zinc/07/49/11/343074911.db2.gz ZVYNIQJSQDUKKS-AWEZNQCLSA-N 1 0 291.351 1.690 20 5 CDBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1onc(C)c1[N+](=O)[O-] ZINC000595489435 343075700 /nfs/dbraw/zinc/07/57/00/343075700.db2.gz ASEAMAIJUQSUJH-HAOVPJPFSA-N 1 0 293.323 1.746 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235732031 362051851 /nfs/dbraw/zinc/05/18/51/362051851.db2.gz JYPMFWCQHACUOH-IONNQARKSA-N 1 0 269.326 1.527 20 5 CDBDRO CC[NH+]1CCN(CCNc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078629767 342338851 /nfs/dbraw/zinc/33/88/51/342338851.db2.gz CLWOFTJBSCSICR-UHFFFAOYSA-N 1 0 293.371 1.348 20 5 CDBDRO CC1(C)CC[NH2+][C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000595940413 343203183 /nfs/dbraw/zinc/20/31/83/343203183.db2.gz QLPOPEUKPZOLCD-ZDUSSCGKSA-N 1 0 291.351 1.642 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOCCF)c(F)c1 ZINC000596057984 343222684 /nfs/dbraw/zinc/22/26/84/343222684.db2.gz ZUOPPGRIBSKESN-UHFFFAOYSA-N 1 0 260.240 1.810 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000595924305 343192841 /nfs/dbraw/zinc/19/28/41/343192841.db2.gz KQGOZNDIKXFGNF-SNVBAGLBSA-N 1 0 251.286 1.840 20 5 CDBDRO C[NH+](C)[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])C1CC1 ZINC000596114234 343230795 /nfs/dbraw/zinc/23/07/95/343230795.db2.gz KYJCCXMWPIVXMQ-JTQLQIEISA-N 1 0 284.747 1.817 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc(N)c([N+](=O)[O-])n2)C[C@@H]1C ZINC000596176930 343261314 /nfs/dbraw/zinc/26/13/14/343261314.db2.gz LBFUPMXVDNGUFR-VHSXEESVSA-N 1 0 279.344 1.491 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000126642875 187252905 /nfs/dbraw/zinc/25/29/05/187252905.db2.gz RFPPPZSJAKSYIU-DGCLKSJQSA-N 1 0 291.351 1.941 20 5 CDBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](CC3CC3)CC2)nc1 ZINC000596561403 343342846 /nfs/dbraw/zinc/34/28/46/343342846.db2.gz ALBSNTIYGFWHDE-UHFFFAOYSA-N 1 0 290.367 1.946 20 5 CDBDRO COc1ccc(C[N@@H+]2CC[C@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000588975857 342446613 /nfs/dbraw/zinc/44/66/13/342446613.db2.gz KTZZTSWQBJXKIL-LLVKDONJSA-N 1 0 293.323 1.301 20 5 CDBDRO CNC(=O)C(C)(C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000120180470 365744562 /nfs/dbraw/zinc/74/45/62/365744562.db2.gz URGDGPNEEYPWRL-UHFFFAOYSA-N 1 0 279.340 1.765 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C)C[NH3+] ZINC000415505443 536886771 /nfs/dbraw/zinc/88/67/71/536886771.db2.gz QGCZDWZQGLCJOK-QMMMGPOBSA-N 1 0 282.300 1.320 20 5 CDBDRO C[C@@]1(NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000597431902 343535596 /nfs/dbraw/zinc/53/55/96/343535596.db2.gz IAFPCTGQZMMFDR-CQSZACIVSA-N 1 0 292.339 1.189 20 5 CDBDRO Cc1c(CC(=O)N2CC(C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000597708858 343606559 /nfs/dbraw/zinc/60/65/59/343606559.db2.gz QBYDHJGOMWSDFD-UHFFFAOYSA-N 1 0 291.351 1.466 20 5 CDBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)C2 ZINC000597716276 343609219 /nfs/dbraw/zinc/60/92/19/343609219.db2.gz QKIVEMMPEMFRSZ-CQSZACIVSA-N 1 0 292.339 1.481 20 5 CDBDRO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])n1C)[NH+](C)C ZINC000597995877 343684656 /nfs/dbraw/zinc/68/46/56/343684656.db2.gz GVQRLMXGUBHOJE-VIFPVBQESA-N 1 0 268.317 1.003 20 5 CDBDRO COC(=O)c1ccnc(NC[C@@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000598587020 343835469 /nfs/dbraw/zinc/83/54/69/343835469.db2.gz LUBGRSRJSIUPEF-MRVPVSSYSA-N 1 0 282.300 1.138 20 5 CDBDRO CC1(C)CC[C@@H](CO)[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000598647373 343857117 /nfs/dbraw/zinc/85/71/17/343857117.db2.gz LELXPVXULMVUKS-NSHDSACASA-N 1 0 282.344 1.274 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598668274 343871334 /nfs/dbraw/zinc/87/13/34/343871334.db2.gz RRGSGUASMGGNTJ-DOMZBBRYSA-N 1 0 289.335 1.857 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC12CCC2 ZINC000612087018 347010421 /nfs/dbraw/zinc/01/04/21/347010421.db2.gz UIBQEWKCAPCPQI-LBPRGKRZSA-N 1 0 292.335 1.963 20 5 CDBDRO C[NH2+]CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915146 343919551 /nfs/dbraw/zinc/91/95/51/343919551.db2.gz ISQFEBDVJCICAD-UHFFFAOYSA-N 1 0 272.692 1.589 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598914443 343919626 /nfs/dbraw/zinc/91/96/26/343919626.db2.gz DSRMJNULIDWEOJ-VIFPVBQESA-N 1 0 296.302 1.807 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCC[NH2+]C1 ZINC000598916241 343920121 /nfs/dbraw/zinc/92/01/21/343920121.db2.gz UJYZEKASYFTEAI-QMMMGPOBSA-N 1 0 282.275 1.607 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598916004 343920147 /nfs/dbraw/zinc/92/01/47/343920147.db2.gz SNBXQJHBSSHFBA-VIFPVBQESA-N 1 0 296.302 1.950 20 5 CDBDRO C[C@@]1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCCC[NH2+]1 ZINC000136179565 362315071 /nfs/dbraw/zinc/31/50/71/362315071.db2.gz KNKXUZIGDKBTEE-HNNXBMFYSA-N 1 0 291.351 1.786 20 5 CDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC1(C)COC1 ZINC000599571395 344090267 /nfs/dbraw/zinc/09/02/67/344090267.db2.gz FWPBSYNEMOLTBC-UHFFFAOYSA-N 1 0 280.324 1.942 20 5 CDBDRO C[C@H]1CC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000253114320 344090748 /nfs/dbraw/zinc/09/07/48/344090748.db2.gz FELLDDYGKNAAJG-GVXVVHGQSA-N 1 0 282.344 1.321 20 5 CDBDRO COc1cc(C[NH2+]C[C@H]2CC[C@@H](C)O2)c([N+](=O)[O-])cc1O ZINC000453635835 252330054 /nfs/dbraw/zinc/33/00/54/252330054.db2.gz VKGXMVBCYGNWMB-MWLCHTKSSA-N 1 0 296.323 1.966 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601600165 344207035 /nfs/dbraw/zinc/20/70/35/344207035.db2.gz BFCXPHWXNJKNFN-KOLCDFICSA-N 1 0 295.314 1.899 20 5 CDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C1 ZINC000127219569 187290512 /nfs/dbraw/zinc/29/05/12/187290512.db2.gz YLQQMGXSVZTVJC-VIFPVBQESA-N 1 0 281.337 1.165 20 5 CDBDRO CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])[C@H](CO)C1 ZINC000601979573 344306107 /nfs/dbraw/zinc/30/61/07/344306107.db2.gz JNCWMTWKABKDRL-JTQLQIEISA-N 1 0 285.731 1.361 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000602600293 344505010 /nfs/dbraw/zinc/50/50/10/344505010.db2.gz VEPSHQJYPKLZBX-MWLCHTKSSA-N 1 0 263.297 1.085 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602497093 344441786 /nfs/dbraw/zinc/44/17/86/344441786.db2.gz SMHGUDILJNVOKK-BDAKNGLRSA-N 1 0 281.287 1.591 20 5 CDBDRO Cc1c(C(=O)N2CC[NH2+]C[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000602527068 344454307 /nfs/dbraw/zinc/45/43/07/344454307.db2.gz JKUHKWZCJFWMNI-AWEZNQCLSA-N 1 0 291.351 1.973 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602514427 344459943 /nfs/dbraw/zinc/45/99/43/344459943.db2.gz MVYNCDZKCIKPIN-HTQZYQBOSA-N 1 0 269.276 1.590 20 5 CDBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])n1 ZINC000602623523 344500859 /nfs/dbraw/zinc/50/08/59/344500859.db2.gz HLLGHNJMZFIVMF-ONGXEEELSA-N 1 0 250.302 1.703 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000154591680 529985088 /nfs/dbraw/zinc/98/50/88/529985088.db2.gz BMKFCIPNGIOJFK-MRVPVSSYSA-N 1 0 285.731 1.834 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCSC[C@@H]1C ZINC000602780734 344596537 /nfs/dbraw/zinc/59/65/37/344596537.db2.gz QYKKCCOYZDGICL-VIFPVBQESA-N 1 0 270.358 1.537 20 5 CDBDRO CO[C@](C)([C@@H](C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602843886 344622500 /nfs/dbraw/zinc/62/25/00/344622500.db2.gz KXLLHZIONRHSSZ-QMTHXVAHSA-N 1 0 296.371 1.893 20 5 CDBDRO C[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159727876 362511778 /nfs/dbraw/zinc/51/17/78/362511778.db2.gz JVEPKLSIGGWGML-LLVKDONJSA-N 1 0 265.313 1.631 20 5 CDBDRO CC(C)(O)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609544507 345597454 /nfs/dbraw/zinc/59/74/54/345597454.db2.gz WTFMARPYQABOIN-UHFFFAOYSA-N 1 0 282.296 1.227 20 5 CDBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC[NH2+]CC1 ZINC000383531682 345656607 /nfs/dbraw/zinc/65/66/07/345656607.db2.gz REBRHZSIRPORBL-UHFFFAOYSA-N 1 0 256.693 1.443 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000424046602 535022100 /nfs/dbraw/zinc/02/21/00/535022100.db2.gz LKCIOHFCYCCXOY-UHFFFAOYSA-N 1 0 279.340 1.771 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000127544518 187315038 /nfs/dbraw/zinc/31/50/38/187315038.db2.gz HNOCPBVLWZGCJO-ABZNLYFFSA-N 1 0 275.308 1.558 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000610541803 346307920 /nfs/dbraw/zinc/30/79/20/346307920.db2.gz ZCNLSDISCFZSLW-NSHDSACASA-N 1 0 297.380 1.815 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+](C)C ZINC000610551002 346310448 /nfs/dbraw/zinc/31/04/48/346310448.db2.gz LZXGHHRTTISTNC-VIFPVBQESA-N 1 0 251.286 1.792 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]([C@@H]3CCCOC3)C2)nc1 ZINC000610569962 346315149 /nfs/dbraw/zinc/31/51/49/346315149.db2.gz IEHFYRVOMDQWPT-WCQYABFASA-N 1 0 292.339 1.655 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCC[N@H+](C)C1 ZINC000265997983 362695941 /nfs/dbraw/zinc/69/59/41/362695941.db2.gz RKZXNQWFKTWRBY-VIFPVBQESA-N 1 0 266.301 1.089 20 5 CDBDRO Cc1nn(C)c(N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000229095309 140199674 /nfs/dbraw/zinc/19/96/74/140199674.db2.gz FFBZAAHVMZGSTR-SCZZXKLOSA-N 1 0 267.333 1.058 20 5 CDBDRO CC(C)C([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000611434001 346782806 /nfs/dbraw/zinc/78/28/06/346782806.db2.gz BRLUEDRTSRGNHR-LBPRGKRZSA-N 1 0 284.360 1.422 20 5 CDBDRO C[NH+](C)CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344436999 362782767 /nfs/dbraw/zinc/78/27/67/362782767.db2.gz HTUFTLFHBMBYRP-UHFFFAOYSA-N 1 0 269.276 1.415 20 5 CDBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[C@@H]1[NH3+] ZINC000122541048 347654610 /nfs/dbraw/zinc/65/46/10/347654610.db2.gz LTDYNGWDYWWJIZ-WPRPVWTQSA-N 1 0 266.301 1.122 20 5 CDBDRO O=C(NCCC[NH+]1CCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000054373988 347821500 /nfs/dbraw/zinc/82/15/00/347821500.db2.gz KEZUFQZUXPFURX-UHFFFAOYSA-N 1 0 266.301 1.139 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000057838613 348847980 /nfs/dbraw/zinc/84/79/80/348847980.db2.gz LHRKOJXJFPXEST-VIFPVBQESA-N 1 0 295.368 1.834 20 5 CDBDRO CC[NH+](CC)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000068191030 349054306 /nfs/dbraw/zinc/05/43/06/349054306.db2.gz IPFTXNHCEIWRSX-UHFFFAOYSA-N 1 0 279.340 1.595 20 5 CDBDRO O=C1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCN1 ZINC000111826082 350500105 /nfs/dbraw/zinc/50/01/05/350500105.db2.gz QYWNDVZQSRTUJX-GFCCVEGCSA-N 1 0 277.324 1.396 20 5 CDBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000454318291 252342030 /nfs/dbraw/zinc/34/20/30/252342030.db2.gz AMJDMYKWIHVJHE-JTQLQIEISA-N 1 0 280.328 1.479 20 5 CDBDRO C[C@@H](CO)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000111158539 186362823 /nfs/dbraw/zinc/36/28/23/186362823.db2.gz CLXYOSWPPNBVCK-MRVPVSSYSA-N 1 0 258.705 1.966 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000123745567 351282787 /nfs/dbraw/zinc/28/27/87/351282787.db2.gz XTPIBJDFWJVJLH-GXFFZTMASA-N 1 0 265.313 1.143 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000123745734 351283029 /nfs/dbraw/zinc/28/30/29/351283029.db2.gz XTPIBJDFWJVJLH-ZWNOBZJWSA-N 1 0 265.313 1.143 20 5 CDBDRO Cc1nc(NC[C@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000124095987 351322887 /nfs/dbraw/zinc/32/28/87/351322887.db2.gz VHGHXWDWECWGNV-SNVBAGLBSA-N 1 0 250.302 1.852 20 5 CDBDRO CCC(CC)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000125016680 351394408 /nfs/dbraw/zinc/39/44/08/351394408.db2.gz UGEXPOTXVUQTRJ-LBPRGKRZSA-N 1 0 270.333 1.178 20 5 CDBDRO CC(C)[C@@H](CO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000156357315 351476327 /nfs/dbraw/zinc/47/63/27/351476327.db2.gz WODOJVMYDIEHGK-LLVKDONJSA-N 1 0 279.296 1.843 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccccc1[N+](=O)[O-] ZINC000130347865 187487532 /nfs/dbraw/zinc/48/75/32/187487532.db2.gz FAQKMACFQJGSJL-SNVBAGLBSA-N 1 0 265.313 1.842 20 5 CDBDRO CNC(=O)C(C)(C)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000120286960 186889893 /nfs/dbraw/zinc/88/98/93/186889893.db2.gz XVQHAXKHDLPQSH-UHFFFAOYSA-N 1 0 295.339 1.465 20 5 CDBDRO Cc1ccc(C(=O)N2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000122320476 187026511 /nfs/dbraw/zinc/02/65/11/187026511.db2.gz RSGFNALGXFXCAU-LLVKDONJSA-N 1 0 263.297 1.467 20 5 CDBDRO C[C@@]1(O)CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000124230244 187127487 /nfs/dbraw/zinc/12/74/87/187127487.db2.gz XIEKCFMIBGIALV-CQSZACIVSA-N 1 0 280.324 1.820 20 5 CDBDRO C[C@@](C[NH3+])(NC(=O)Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000135231067 187810186 /nfs/dbraw/zinc/81/01/86/187810186.db2.gz NILNIGUYLJSVQU-AWEZNQCLSA-N 1 0 277.324 1.381 20 5 CDBDRO CSc1ccc(C(=O)NC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000151903468 187984743 /nfs/dbraw/zinc/98/47/43/187984743.db2.gz XDGAMCXACMFEEZ-UHFFFAOYSA-N 1 0 283.353 1.784 20 5 CDBDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000361762107 358475117 /nfs/dbraw/zinc/47/51/17/358475117.db2.gz BRHXTNARPHHNGP-ONGXEEELSA-N 1 0 268.317 1.376 20 5 CDBDRO COc1cc(C(=O)N[C@](C)(C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000156716513 188278169 /nfs/dbraw/zinc/27/81/69/188278169.db2.gz GYTNLKUORRGQER-CQSZACIVSA-N 1 0 293.323 1.461 20 5 CDBDRO CSc1cccc(C(=O)N(C)C[C@@H]2CC[NH2+]2)c1[N+](=O)[O-] ZINC001579393427 1172166082 /nfs/dbraw/zinc/16/60/82/1172166082.db2.gz UJHVALMOCXCWDR-VIFPVBQESA-N 1 0 295.364 1.751 20 5 CDBDRO C[C@@H]([NH3+])CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000063170523 363277742 /nfs/dbraw/zinc/27/77/42/363277742.db2.gz GABWSKHSPOBJJQ-BRAIEQGRSA-N 1 0 263.297 1.462 20 5 CDBDRO C[C@H](CN1CCOCC1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000036932577 363293558 /nfs/dbraw/zinc/29/35/58/363293558.db2.gz VMFWTEUTGUSKHX-GFCCVEGCSA-N 1 0 279.340 1.405 20 5 CDBDRO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1ccccc1[N+](=O)[O-] ZINC000036977108 363304905 /nfs/dbraw/zinc/30/49/05/363304905.db2.gz AMYJIYQGIMKNHQ-JQWIXIFHSA-N 1 0 277.324 1.914 20 5 CDBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1[NH+](C)C ZINC000271775285 191318185 /nfs/dbraw/zinc/31/81/85/191318185.db2.gz JEELEONGFKZUHK-WPRPVWTQSA-N 1 0 299.352 1.305 20 5 CDBDRO CCOCCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000558573645 356038474 /nfs/dbraw/zinc/03/84/74/356038474.db2.gz CCQQTHAZDNAODO-UHFFFAOYSA-N 1 0 295.339 1.940 20 5 CDBDRO O=[N+]([O-])c1cc2c(ncnc2NCCn2ccnc2)s1 ZINC000336841351 356293978 /nfs/dbraw/zinc/29/39/78/356293978.db2.gz RPBFAQXHLQAOEA-UHFFFAOYSA-N 1 0 290.308 1.908 20 5 CDBDRO COc1ccc(CN2C[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000234937332 140233122 /nfs/dbraw/zinc/23/31/22/140233122.db2.gz JICAAVPNCFGMJX-ONGXEEELSA-N 1 0 265.313 1.382 20 5 CDBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000119040182 357223679 /nfs/dbraw/zinc/22/36/79/357223679.db2.gz VKLOVJKRAMLEKR-NWDGAFQWSA-N 1 0 280.324 1.988 20 5 CDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000236811843 357253237 /nfs/dbraw/zinc/25/32/37/357253237.db2.gz WPIDFYDIBBGFGC-CQSZACIVSA-N 1 0 294.355 1.496 20 5 CDBDRO [NH3+][C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000261959060 357345415 /nfs/dbraw/zinc/34/54/15/357345415.db2.gz RLJRHCNQIQQMSH-LLVKDONJSA-N 1 0 289.291 1.808 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000566251357 357440805 /nfs/dbraw/zinc/44/08/05/357440805.db2.gz OXKXBNDFLPEDTM-QMMMGPOBSA-N 1 0 266.301 1.034 20 5 CDBDRO CC(C)C[C@H](C[NH3+])NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000236844123 357520593 /nfs/dbraw/zinc/52/05/93/357520593.db2.gz YWUDNJUORLXARK-LLVKDONJSA-N 1 0 295.339 1.463 20 5 CDBDRO C[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283933711 357621225 /nfs/dbraw/zinc/62/12/25/357621225.db2.gz FCPZAIVYBBQINR-SNVBAGLBSA-N 1 0 278.356 1.922 20 5 CDBDRO O=C(NCC1=CC[NH2+]CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000186292647 357634785 /nfs/dbraw/zinc/63/47/85/357634785.db2.gz AUIPAUPNUDXKPS-UHFFFAOYSA-N 1 0 295.726 1.898 20 5 CDBDRO O=C(NC1CC[NH2+]CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000135211684 357769830 /nfs/dbraw/zinc/76/98/30/357769830.db2.gz UQLSOXVBIPHAED-UHFFFAOYSA-N 1 0 267.260 1.216 20 5 CDBDRO C[NH2+]CC1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000135227684 357798918 /nfs/dbraw/zinc/79/89/18/357798918.db2.gz ZBJPBCABVBOSGP-UHFFFAOYSA-N 1 0 291.351 1.595 20 5 CDBDRO C[NH+](C)CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000135273550 358138450 /nfs/dbraw/zinc/13/84/50/358138450.db2.gz SWWCGCAPGFPCSR-UHFFFAOYSA-N 1 0 277.324 1.647 20 5 CDBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000193577652 358305410 /nfs/dbraw/zinc/30/54/10/358305410.db2.gz PCEQAXLTXMUKMX-SKDRFNHKSA-N 1 0 263.297 1.209 20 5 CDBDRO O=C(NCC[NH2+]C1CC1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000591347087 358562037 /nfs/dbraw/zinc/56/20/37/358562037.db2.gz WKQMYOIPXGDFQF-UHFFFAOYSA-N 1 0 292.339 1.189 20 5 CDBDRO CC[C@H](C)[N@H+](CCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000287427050 358582737 /nfs/dbraw/zinc/58/27/37/358582737.db2.gz PHEQHMGNAMQORD-SMDDNHRTSA-N 1 0 282.340 1.721 20 5 CDBDRO Cn1cccc1[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176195978 358736701 /nfs/dbraw/zinc/73/67/01/358736701.db2.gz IMFQEDUBSICBQS-CYBMUJFWSA-N 1 0 289.339 1.967 20 5 CDBDRO C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC(C)(C)O1 ZINC000176218332 358741404 /nfs/dbraw/zinc/74/14/04/358741404.db2.gz FPORBPINXMDHHA-SNVBAGLBSA-N 1 0 268.317 1.291 20 5 CDBDRO COc1ccc(C(=O)N[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000264925868 358773089 /nfs/dbraw/zinc/77/30/89/358773089.db2.gz QZPBTFGUTAZFAK-SNVBAGLBSA-N 1 0 295.339 1.673 20 5 CDBDRO CC(C)(CC(N)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000186247386 358794683 /nfs/dbraw/zinc/79/46/83/358794683.db2.gz NRUQAERSXJAAQW-UHFFFAOYSA-N 1 0 285.731 1.992 20 5 CDBDRO C[NH+]1CCC(C)(CNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000230876474 358800306 /nfs/dbraw/zinc/80/03/06/358800306.db2.gz WNDOJZUVLPSKMM-UHFFFAOYSA-N 1 0 265.317 1.529 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000186809943 358827142 /nfs/dbraw/zinc/82/71/42/358827142.db2.gz HVSWZEPDKFXSAC-VKYBYORPSA-N 1 0 289.335 1.722 20 5 CDBDRO C[C@@H]1CSC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000352815747 358940967 /nfs/dbraw/zinc/94/09/67/358940967.db2.gz NFGRUSVZIFRBKZ-KOLCDFICSA-N 1 0 283.353 1.098 20 5 CDBDRO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000450690248 358982027 /nfs/dbraw/zinc/98/20/27/358982027.db2.gz VHNIEPSHUVLNSO-IRUJWGPZSA-N 1 0 266.297 1.659 20 5 CDBDRO CC(C)CO[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000119794833 359108025 /nfs/dbraw/zinc/10/80/25/359108025.db2.gz ZLBQTKSFELMGQB-LBPRGKRZSA-N 1 0 282.344 1.538 20 5 CDBDRO COc1cc(N2CC[C@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000261606136 359130840 /nfs/dbraw/zinc/13/08/40/359130840.db2.gz RLMDGCYXZBXJPK-CYBMUJFWSA-N 1 0 265.313 1.779 20 5 CDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000121037451 359134183 /nfs/dbraw/zinc/13/41/83/359134183.db2.gz PUBGRRJEDKIZLK-ZJUUUORDSA-N 1 0 281.312 1.600 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000159447504 359301365 /nfs/dbraw/zinc/30/13/65/359301365.db2.gz WOHAONYOXBLNIH-MFKMUULPSA-N 1 0 250.298 1.798 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000050116733 359310549 /nfs/dbraw/zinc/31/05/49/359310549.db2.gz AYPAKLVJPGEDHS-CYBMUJFWSA-N 1 0 250.298 1.594 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000050246289 359408010 /nfs/dbraw/zinc/40/80/10/359408010.db2.gz DZGFUQMVGOMBSW-JTQLQIEISA-N 1 0 263.297 1.324 20 5 CDBDRO Cc1ccc(C[N@H+](C)CCC(N)=O)cc1[N+](=O)[O-] ZINC000289668362 359663430 /nfs/dbraw/zinc/66/34/30/359663430.db2.gz NMQODZXZKAVOGK-UHFFFAOYSA-N 1 0 251.286 1.210 20 5 CDBDRO [NH3+]C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000033440675 359701187 /nfs/dbraw/zinc/70/11/87/359701187.db2.gz HXKZVPKBCSBORC-ZZXKWVIFSA-N 1 0 275.308 1.558 20 5 CDBDRO CC[NH+](CC)CCOCCNc1c([N+](=O)[O-])ncn1C ZINC000347873991 359897192 /nfs/dbraw/zinc/89/71/92/359897192.db2.gz GHRRGMSBZNLQNK-UHFFFAOYSA-N 1 0 285.348 1.099 20 5 CDBDRO C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000235327455 360015283 /nfs/dbraw/zinc/01/52/83/360015283.db2.gz CKWMYTWJXFMSKO-RISCZKNCSA-N 1 0 291.351 1.723 20 5 CDBDRO CC[NH2+]CCCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000514722436 360217788 /nfs/dbraw/zinc/21/77/88/360217788.db2.gz SMEFWFORBHMFMU-NSHDSACASA-N 1 0 294.355 1.955 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](CCO)C(C)(C)C ZINC000355012533 360444544 /nfs/dbraw/zinc/44/45/44/360444544.db2.gz MTCBXBYMIVRYAC-JTQLQIEISA-N 1 0 270.333 1.215 20 5 CDBDRO Cc1nc(N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)ncc1[N+](=O)[O-] ZINC000572352697 360415530 /nfs/dbraw/zinc/41/55/30/360415530.db2.gz WITNJYRRUNPDFO-PWSUYJOCSA-N 1 0 291.355 1.756 20 5 CDBDRO CCCC[N@H+](C)CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000112309325 360522169 /nfs/dbraw/zinc/52/21/69/360522169.db2.gz BZQGWFSSRAQOOX-UHFFFAOYSA-N 1 0 297.359 1.098 20 5 CDBDRO CCOC(=O)c1ccnc(NC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000348158892 360532838 /nfs/dbraw/zinc/53/28/38/360532838.db2.gz PAVWNOSKTDSATL-VIFPVBQESA-N 1 0 296.327 1.529 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000162838198 360532982 /nfs/dbraw/zinc/53/29/82/360532982.db2.gz HZQWITMTANSEFC-MNOVXSKESA-N 1 0 279.340 1.936 20 5 CDBDRO O=C(C[NH2+]CC1CC1)NCCNc1ccccc1[N+](=O)[O-] ZINC000178344291 189108889 /nfs/dbraw/zinc/10/88/89/189108889.db2.gz RYJGSQUTZORNCP-UHFFFAOYSA-N 1 0 292.339 1.123 20 5 CDBDRO [NH3+]C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000178553366 189126781 /nfs/dbraw/zinc/12/67/81/189126781.db2.gz JEIVZQVZDWUYTC-SECBINFHSA-N 1 0 297.742 1.598 20 5 CDBDRO COC[C@@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000234900728 360969506 /nfs/dbraw/zinc/96/95/06/360969506.db2.gz PYFNKJLTQWOYHY-MWLCHTKSSA-N 1 0 254.286 1.253 20 5 CDBDRO CC(C)[C@@H](CO)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000180616543 189266085 /nfs/dbraw/zinc/26/60/85/189266085.db2.gz RUPNFHBRXFWOGZ-LLVKDONJSA-N 1 0 281.312 1.140 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000070447185 361210624 /nfs/dbraw/zinc/21/06/24/361210624.db2.gz RPQZIIDBCUARHS-YBJDMEARSA-N 1 0 277.324 1.708 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000133360233 361362485 /nfs/dbraw/zinc/36/24/85/361362485.db2.gz JNLQZHVMMNELAN-SECBINFHSA-N 1 0 278.312 1.001 20 5 CDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NCC[NH2+]C1CC1 ZINC000238029826 361513747 /nfs/dbraw/zinc/51/37/47/361513747.db2.gz VYYREAXBCDQZII-UHFFFAOYSA-N 1 0 295.364 1.555 20 5 CDBDRO C[C@@]1(CO)CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000545398694 364073359 /nfs/dbraw/zinc/07/33/59/364073359.db2.gz ZFTVGOWAKNPZAO-ZDUSSCGKSA-N 1 0 250.298 1.942 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000237191488 364262278 /nfs/dbraw/zinc/26/22/78/364262278.db2.gz NOEBLUJUYBOROV-VIFPVBQESA-N 1 0 279.296 1.085 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000152764743 366933626 /nfs/dbraw/zinc/93/36/26/366933626.db2.gz AZRLGXOPTLTNFZ-NSHDSACASA-N 1 0 292.339 1.418 20 5 CDBDRO CC[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000270944248 366947680 /nfs/dbraw/zinc/94/76/80/366947680.db2.gz RXUNTRXKNSYZPN-SWHYSGLUSA-N 1 0 280.324 1.331 20 5 CDBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2c([N+](=O)[O-])cnn2C)n1 ZINC000414614144 241278455 /nfs/dbraw/zinc/27/84/55/241278455.db2.gz GPRDTODAWABWFT-SSDOTTSWSA-N 1 0 280.288 1.424 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000122329065 366984240 /nfs/dbraw/zinc/98/42/40/366984240.db2.gz YVIYOXCUANQVSB-SECBINFHSA-N 1 0 267.260 1.297 20 5 CDBDRO COc1ccc(NC(=O)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415433707 241681421 /nfs/dbraw/zinc/68/14/21/241681421.db2.gz HFNHMQKXWTXSRW-JTQLQIEISA-N 1 0 294.311 1.477 20 5 CDBDRO Cc1sc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000272275456 367671163 /nfs/dbraw/zinc/67/11/63/367671163.db2.gz OAVSTIRTGWBPEZ-CBAPKCEASA-N 1 0 283.353 1.774 20 5 CDBDRO COCCC[NH+]1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000301150751 368096315 /nfs/dbraw/zinc/09/63/15/368096315.db2.gz MVFFVPPYCJHHIO-UHFFFAOYSA-N 1 0 294.355 1.903 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000226519024 368246922 /nfs/dbraw/zinc/24/69/22/368246922.db2.gz OKXYYEQBFASEOM-QMMMGPOBSA-N 1 0 298.318 1.386 20 5 CDBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1C ZINC000330603218 203025730 /nfs/dbraw/zinc/02/57/30/203025730.db2.gz HVHPOLJJVQVSGL-NEPJUHHUSA-N 1 0 291.351 1.688 20 5 CDBDRO COc1cc(C[NH2+][C@@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000330612969 203039416 /nfs/dbraw/zinc/03/94/16/203039416.db2.gz YJXUDBRAFWYUMP-GXSJLCMTSA-N 1 0 296.323 1.966 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000089091152 368828299 /nfs/dbraw/zinc/82/82/99/368828299.db2.gz ASZOXOMMKIZYAT-MFKMUULPSA-N 1 0 277.324 1.760 20 5 CDBDRO NC(=O)c1ccc(N[C@@H]2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000089108859 368975458 /nfs/dbraw/zinc/97/54/58/368975458.db2.gz VMFWNJYDEBTUMT-WDEREUQCSA-N 1 0 292.339 1.623 20 5 CDBDRO C[C@H]1C[N@H+](C)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000330673614 203102773 /nfs/dbraw/zinc/10/27/73/203102773.db2.gz PNYRSFKRIPQFCV-LBPRGKRZSA-N 1 0 279.340 1.610 20 5 CDBDRO NC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000420381185 244175847 /nfs/dbraw/zinc/17/58/47/244175847.db2.gz YZKKYNBEBCBGST-LBPRGKRZSA-N 1 0 281.360 1.289 20 5 CDBDRO C[N@H+]1CC=C(CNc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420598135 244272553 /nfs/dbraw/zinc/27/25/53/244272553.db2.gz BQSAWHWGOIPTLJ-UHFFFAOYSA-N 1 0 290.323 1.368 20 5 CDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C1=CC[N@H+](C)CC1 ZINC000330774320 203219200 /nfs/dbraw/zinc/21/92/00/203219200.db2.gz RDTRKXQQWQBSDE-SECBINFHSA-N 1 0 278.312 1.303 20 5 CDBDRO COCC[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276256476 193260249 /nfs/dbraw/zinc/26/02/49/193260249.db2.gz AKOUOBFVOFPTRK-UHFFFAOYSA-N 1 0 297.330 1.498 20 5 CDBDRO COC(=O)COc1ccc(C[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000037703323 369971575 /nfs/dbraw/zinc/97/15/75/369971575.db2.gz GXVOEJAIYQJUJT-UHFFFAOYSA-N 1 0 280.280 1.399 20 5 CDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000295307686 369918937 /nfs/dbraw/zinc/91/89/37/369918937.db2.gz VTSNPARUJMSQFE-PJXYFTJBSA-N 1 0 293.348 1.021 20 5 CDBDRO CCC[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766537 370079378 /nfs/dbraw/zinc/07/93/78/370079378.db2.gz YXMFVAFOOVEBCS-CABZTGNLSA-N 1 0 265.313 1.899 20 5 CDBDRO O=[N+]([O-])c1cccc(CN2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC000089151880 370135350 /nfs/dbraw/zinc/13/53/50/370135350.db2.gz JSEAOMJKHFFGAK-GJZGRUSLSA-N 1 0 292.335 1.975 20 5 CDBDRO CCC[C@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000295417266 370200851 /nfs/dbraw/zinc/20/08/51/370200851.db2.gz DRFRXFXWKNFVPP-HNNXBMFYSA-N 1 0 293.367 1.878 20 5 CDBDRO C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1ccccc1[N+](=O)[O-] ZINC000036977110 296162111 /nfs/dbraw/zinc/16/21/11/296162111.db2.gz AMYJIYQGIMKNHQ-PWSUYJOCSA-N 1 0 277.324 1.914 20 5 CDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[NH2+]C1 ZINC000414891793 371032457 /nfs/dbraw/zinc/03/24/57/371032457.db2.gz XFRKMASMJYXUPX-PWSUYJOCSA-N 1 0 292.339 1.263 20 5 CDBDRO COC[C@]1(CNCc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000414944117 371137742 /nfs/dbraw/zinc/13/77/42/371137742.db2.gz NNBKXTLDIOPEDT-CQSZACIVSA-N 1 0 279.340 1.453 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC[C@@H]3CCCO3)CC2)n1 ZINC000331598707 204001058 /nfs/dbraw/zinc/00/10/58/204001058.db2.gz AOYVUPSTWNJBRV-ZDUSSCGKSA-N 1 0 294.355 1.997 20 5 CDBDRO COc1cc(C(=O)N(C)[C@@H](C)C[NH3+])cc([N+](=O)[O-])c1C ZINC000422826042 245305017 /nfs/dbraw/zinc/30/50/17/245305017.db2.gz BMFQSCCMSCBIIQ-QMMMGPOBSA-N 1 0 281.312 1.331 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001580368557 1172414797 /nfs/dbraw/zinc/41/47/97/1172414797.db2.gz DBHWUUBRWXBWPG-UONOGXRCSA-N 1 0 291.351 1.771 20 5 CDBDRO C[C@@]1(O)CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000178001349 372941303 /nfs/dbraw/zinc/94/13/03/372941303.db2.gz DBHCYBULOIXZJK-GFCCVEGCSA-N 1 0 254.261 1.691 20 5 CDBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000121821026 373237147 /nfs/dbraw/zinc/23/71/47/373237147.db2.gz UYMUGOGTELKQCK-JTQLQIEISA-N 1 0 295.343 1.312 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[NH+](C)C ZINC000298378054 373516657 /nfs/dbraw/zinc/51/66/57/373516657.db2.gz CKNRKLQRXOXERI-SECBINFHSA-N 1 0 296.327 1.675 20 5 CDBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000191734089 373530914 /nfs/dbraw/zinc/53/09/14/373530914.db2.gz ICHXMHRZSGAFIB-IOCXFXADSA-N 1 0 277.324 1.674 20 5 CDBDRO CC[NH2+]CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000036283584 373872445 /nfs/dbraw/zinc/87/24/45/373872445.db2.gz RTUXVKGZZKNUTI-UHFFFAOYSA-N 1 0 266.301 1.716 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000423672268 245969800 /nfs/dbraw/zinc/96/98/00/245969800.db2.gz DLNDSKZEBAFNRB-NSHDSACASA-N 1 0 279.340 1.987 20 5 CDBDRO C[C@@H]1C[C@@H](CO)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000420954309 374308618 /nfs/dbraw/zinc/30/86/18/374308618.db2.gz ZKASMXQBSDMAHF-CHWSQXEVSA-N 1 0 294.351 1.924 20 5 CDBDRO CCCC[C@@H]([NH3+])C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423833247 246127846 /nfs/dbraw/zinc/12/78/46/246127846.db2.gz ZREAJSNVVITIJU-GFCCVEGCSA-N 1 0 292.339 1.392 20 5 CDBDRO Cc1nc(N2CCC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000370539506 374396111 /nfs/dbraw/zinc/39/61/11/374396111.db2.gz SOCFBWIFYLHOTR-GFCCVEGCSA-N 1 0 276.340 1.973 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)C[NH3+] ZINC000423469852 374382791 /nfs/dbraw/zinc/38/27/91/374382791.db2.gz YXJZMIYPIMPYBT-VIFPVBQESA-N 1 0 281.312 1.318 20 5 CDBDRO C[C@@H](NC[C@@H]1C[NH2+]CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000423500868 374385349 /nfs/dbraw/zinc/38/53/49/374385349.db2.gz DCIACILLTGYZSC-RISCZKNCSA-N 1 0 279.340 1.624 20 5 CDBDRO CN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@H](C[NH3+])C1CC1 ZINC000423951831 246246176 /nfs/dbraw/zinc/24/61/76/246246176.db2.gz PENNTNCYNVFHDR-CYBMUJFWSA-N 1 0 292.339 1.202 20 5 CDBDRO CN(CC[NH3+])C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000424013881 246290056 /nfs/dbraw/zinc/29/00/56/246290056.db2.gz YIJJWZSGZQLGCW-UHFFFAOYSA-N 1 0 280.328 1.204 20 5 CDBDRO C[C@@H](CS(C)(=O)=O)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000081904045 374561756 /nfs/dbraw/zinc/56/17/56/374561756.db2.gz KQUKEGFFOWOYOQ-JTQLQIEISA-N 1 0 286.353 1.160 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000429238568 374574376 /nfs/dbraw/zinc/57/43/76/374574376.db2.gz QZBTVAFTHJZLPC-NSHDSACASA-N 1 0 295.339 1.335 20 5 CDBDRO CC(C)([NH3+])CCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000070088386 374648356 /nfs/dbraw/zinc/64/83/56/374648356.db2.gz BCGYPJGOEJXLTC-UHFFFAOYSA-N 1 0 265.313 1.729 20 5 CDBDRO C[C@@](C[NH3+])(NCCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000430555540 374650705 /nfs/dbraw/zinc/65/07/05/374650705.db2.gz IVXUHQXHDBFFAC-AWEZNQCLSA-N 1 0 279.340 1.691 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000070446834 374662357 /nfs/dbraw/zinc/66/23/57/374662357.db2.gz HUOQCSMDZVERQQ-ZETCQYMHSA-N 1 0 257.315 1.369 20 5 CDBDRO CC(C)N(CC[NH+](C)C)c1ncccc1[N+](=O)[O-] ZINC000274398381 374674112 /nfs/dbraw/zinc/67/41/12/374674112.db2.gz XKQWSAHHAHTUFH-UHFFFAOYSA-N 1 0 252.318 1.766 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000447975865 374728635 /nfs/dbraw/zinc/72/86/35/374728635.db2.gz IGSAVUXNMSEEMZ-LXJUILQBSA-N 1 0 292.335 1.738 20 5 CDBDRO Cc1ccc(NC(=O)[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000019477064 374736783 /nfs/dbraw/zinc/73/67/83/374736783.db2.gz BCHZBOOFCMWHPM-LLVKDONJSA-N 1 0 251.286 1.825 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2(O)CCC2)cc1 ZINC000124462963 374799397 /nfs/dbraw/zinc/79/93/97/374799397.db2.gz IFFBKNDXRSARBN-UHFFFAOYSA-N 1 0 250.298 1.642 20 5 CDBDRO COCC(COC)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449544627 374817975 /nfs/dbraw/zinc/81/79/75/374817975.db2.gz QYKZMPPSPOGPND-LLVKDONJSA-N 1 0 282.340 1.777 20 5 CDBDRO CO[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]1OC ZINC000277066583 374770677 /nfs/dbraw/zinc/77/06/77/374770677.db2.gz DPIASKWAKKFFQB-OKILXGFUSA-N 1 0 280.324 1.749 20 5 CDBDRO CC[C@H]1CCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000330572382 374865628 /nfs/dbraw/zinc/86/56/28/374865628.db2.gz NHTFQHIVOILPFX-JQWIXIFHSA-N 1 0 252.318 1.960 20 5 CDBDRO Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2C)cc([N+](=O)[O-])c1 ZINC000139820578 374839360 /nfs/dbraw/zinc/83/93/60/374839360.db2.gz MGKLMRGEMXZTPO-GFCCVEGCSA-N 1 0 277.324 1.727 20 5 CDBDRO C[C@H]([NH2+]CCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000020091512 374844437 /nfs/dbraw/zinc/84/44/37/374844437.db2.gz AZNPBQKHQYUERT-LBPRGKRZSA-N 1 0 279.340 1.578 20 5 CDBDRO CC1(C)C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000279721977 374952231 /nfs/dbraw/zinc/95/22/31/374952231.db2.gz IYRGUTASEFSILN-CYBMUJFWSA-N 1 0 280.324 1.676 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCC1 ZINC000332438739 375031321 /nfs/dbraw/zinc/03/13/21/375031321.db2.gz BPNQYIZPNBXXFU-UHFFFAOYSA-N 1 0 292.339 1.512 20 5 CDBDRO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1O ZINC000283268148 375112753 /nfs/dbraw/zinc/11/27/53/375112753.db2.gz WLAZCQBLSXRQRG-MFKMUULPSA-N 1 0 268.288 1.937 20 5 CDBDRO Cc1c(CC(=O)NC[C@H]2CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000162374118 375338121 /nfs/dbraw/zinc/33/81/21/375338121.db2.gz MGMMWOGGOIMWFM-GFCCVEGCSA-N 1 0 291.351 1.514 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000132257546 375426627 /nfs/dbraw/zinc/42/66/27/375426627.db2.gz QZOUHBRQAWFMQM-WDEREUQCSA-N 1 0 277.324 1.713 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493450406 375454215 /nfs/dbraw/zinc/45/42/15/375454215.db2.gz LGGXBQDDOSEDCP-IQQGHNRFSA-N 1 0 277.324 1.674 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1COC[C@@H]1O ZINC000352815718 375541251 /nfs/dbraw/zinc/54/12/51/375541251.db2.gz MTXTUTMVCXYEFF-OLZOCXBDSA-N 1 0 296.323 1.185 20 5 CDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000304751194 375496600 /nfs/dbraw/zinc/49/66/00/375496600.db2.gz XJQFDZYHHIZUEU-UHFFFAOYSA-N 1 0 295.339 1.626 20 5 CDBDRO CC[C@@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000305083420 375548489 /nfs/dbraw/zinc/54/84/89/375548489.db2.gz NDFXUNQHVWRKDR-ZYHUDNBSSA-N 1 0 280.328 1.247 20 5 CDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C1CC(O)C1 ZINC000353478747 375615940 /nfs/dbraw/zinc/61/59/40/375615940.db2.gz GBNBCXIWVLGYNJ-UHEGKEBESA-N 1 0 293.323 1.377 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000426788076 247063282 /nfs/dbraw/zinc/06/32/82/247063282.db2.gz KBVNKJUNURYSTN-LBPRGKRZSA-N 1 0 293.367 1.982 20 5 CDBDRO COc1cc(N2CCC[C@H]2C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000227860964 375636284 /nfs/dbraw/zinc/63/62/84/375636284.db2.gz RFUDLVFEEJQZBV-QMMMGPOBSA-N 1 0 269.276 1.670 20 5 CDBDRO C[C@@H]1CC[N@H+](C)CCN1c1ncccc1[N+](=O)[O-] ZINC000354089484 375675177 /nfs/dbraw/zinc/67/51/77/375675177.db2.gz DOAPMAUCCAXVNF-SNVBAGLBSA-N 1 0 250.302 1.520 20 5 CDBDRO Cc1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000357109246 375886987 /nfs/dbraw/zinc/88/69/87/375886987.db2.gz XDEVWKVCPPZJQS-KBPBESRZSA-N 1 0 275.352 1.945 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000357407152 375905117 /nfs/dbraw/zinc/90/51/17/375905117.db2.gz DYAPPCJGXUHVGK-CABZTGNLSA-N 1 0 295.314 1.946 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000428965127 247389872 /nfs/dbraw/zinc/38/98/72/247389872.db2.gz QFNBCYCSXSYWIN-KOLCDFICSA-N 1 0 292.339 1.416 20 5 CDBDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267054553 376683194 /nfs/dbraw/zinc/68/31/94/376683194.db2.gz RNOBWMBUGJRXTC-NSHDSACASA-N 1 0 295.314 1.692 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435238038 248160144 /nfs/dbraw/zinc/16/01/44/248160144.db2.gz PGBAYSVWJSPLCW-ZDUSSCGKSA-N 1 0 289.335 1.870 20 5 CDBDRO C[NH+](C)CC(C)(C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000457215622 252479557 /nfs/dbraw/zinc/47/95/57/252479557.db2.gz ZQHYLOQFBOZCGZ-UHFFFAOYSA-N 1 0 279.340 1.594 20 5 CDBDRO [NH3+]CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(F)F ZINC000383481726 377479225 /nfs/dbraw/zinc/47/92/25/377479225.db2.gz UPCYYHPMALVDTO-SECBINFHSA-N 1 0 273.239 1.307 20 5 CDBDRO C[C@@H]1[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000345308466 377905241 /nfs/dbraw/zinc/90/52/41/377905241.db2.gz XMDKPQXOXFKPSQ-KOLCDFICSA-N 1 0 292.339 1.390 20 5 CDBDRO C[NH2+]C[C@@H](C)CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000129589750 378443381 /nfs/dbraw/zinc/44/33/81/378443381.db2.gz SESIFCYKAJLPMQ-SSDOTTSWSA-N 1 0 258.709 1.911 20 5 CDBDRO CC(C)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000173530822 378526024 /nfs/dbraw/zinc/52/60/24/378526024.db2.gz OQGUQUFXEHSFNZ-LBPRGKRZSA-N 1 0 268.317 1.025 20 5 CDBDRO O=C(CC[N@H+]1CC[C@@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000266963101 378939426 /nfs/dbraw/zinc/93/94/26/378939426.db2.gz XLHIUQUMDQXORY-LLVKDONJSA-N 1 0 293.323 1.238 20 5 CDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCC[C@H]1CCC[NH2+]1 ZINC000444257661 250108542 /nfs/dbraw/zinc/10/85/42/250108542.db2.gz FERSRTHLMOTMOA-LLVKDONJSA-N 1 0 293.323 1.232 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C)CC2)c1 ZINC000173748008 379048169 /nfs/dbraw/zinc/04/81/69/379048169.db2.gz SAQCYAYRYVMUFU-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO CCOC[C@@H](O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447538391 250382852 /nfs/dbraw/zinc/38/28/52/250382852.db2.gz BXISFNQHQXYXFI-DZGCQCFKSA-N 1 0 294.351 1.959 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]CCn2ccnc2)cs1 ZINC000041119775 379330628 /nfs/dbraw/zinc/33/06/28/379330628.db2.gz XRFVWUJQHJIYNP-UHFFFAOYSA-N 1 0 252.299 1.643 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000447975864 250461285 /nfs/dbraw/zinc/46/12/85/250461285.db2.gz IGSAVUXNMSEEMZ-DFCLBCNGSA-N 1 0 292.335 1.738 20 5 CDBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)[NH3+] ZINC000449595141 250924245 /nfs/dbraw/zinc/92/42/45/250924245.db2.gz ZYQLMOMITYQMAK-JGVFFNPUSA-N 1 0 285.731 1.643 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000449639813 250946484 /nfs/dbraw/zinc/94/64/84/250946484.db2.gz QRUOLTLCZUGYLX-IUCAKERBSA-N 1 0 266.301 1.170 20 5 CDBDRO O=[N+]([O-])c1cccnc1NC[C@H]1CCC[N@H+]1CCCO ZINC000450592899 251356195 /nfs/dbraw/zinc/35/61/95/251356195.db2.gz HXLWTJVSZXKPEZ-LLVKDONJSA-N 1 0 280.328 1.249 20 5 CDBDRO C[C@@H]1C[N@H+](C)CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491577625 253092193 /nfs/dbraw/zinc/09/21/93/253092193.db2.gz YLOYPKRJPCWRBI-NNNHXZLVSA-N 1 0 289.335 1.771 20 5 CDBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000281127411 195114339 /nfs/dbraw/zinc/11/43/39/195114339.db2.gz NAFPVORHLNQTEO-HNNXBMFYSA-N 1 0 291.351 1.861 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H](C)N1CCOc1cccc([N+](=O)[O-])c1 ZINC000493914947 253582418 /nfs/dbraw/zinc/58/24/18/253582418.db2.gz BZCRHNJVRMAAFP-TXEJJXNPSA-N 1 0 279.340 1.656 20 5 CDBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1 ZINC000420901863 285163692 /nfs/dbraw/zinc/16/36/92/285163692.db2.gz LWJYMLXPOAGILE-BETUJISGSA-N 1 0 291.351 1.488 20 5 CDBDRO CC[C@H]1C(=O)NCCN1Cc1cccc([N+](=O)[O-])c1C ZINC000156371839 390213063 /nfs/dbraw/zinc/21/30/63/390213063.db2.gz PJNFRBBWXMUIKP-LBPRGKRZSA-N 1 0 277.324 1.614 20 5 CDBDRO Cc1c(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000163536541 390403410 /nfs/dbraw/zinc/40/34/10/390403410.db2.gz WFMASEUOISRMAC-CMPLNLGQSA-N 1 0 291.351 1.960 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000150272601 390478106 /nfs/dbraw/zinc/47/81/06/390478106.db2.gz NFRIPIBTKLCMMN-VIFPVBQESA-N 1 0 283.303 1.981 20 5 CDBDRO CCCC[N@H+](C)C[C@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000291164286 390993588 /nfs/dbraw/zinc/99/35/88/390993588.db2.gz QHKQCKMTFIBBAW-JTQLQIEISA-N 1 0 269.349 1.861 20 5 CDBDRO C[C@H]1CC[N@H+](C)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000413143193 391165578 /nfs/dbraw/zinc/16/55/78/391165578.db2.gz RRAWQMRRKLYUOJ-VIFPVBQESA-N 1 0 268.292 1.659 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000311434810 533572285 /nfs/dbraw/zinc/57/22/85/533572285.db2.gz DUJNEDLODODVPI-OMMCCPJFSA-N 1 0 263.297 1.462 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@@H+](CCCO)C2)c(F)c1 ZINC000413326675 391199327 /nfs/dbraw/zinc/19/93/27/391199327.db2.gz LROVBCTWBYDQJJ-SNVBAGLBSA-N 1 0 298.318 1.388 20 5 CDBDRO CC[C@H](O)C[NH+]1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000268042673 391269876 /nfs/dbraw/zinc/26/98/76/391269876.db2.gz OXUNYEZFIGVYRR-ZDUSSCGKSA-N 1 0 293.367 1.796 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH2+]CC1 ZINC000415509747 391468376 /nfs/dbraw/zinc/46/83/76/391468376.db2.gz XEJRLRVAAGPWPO-UHFFFAOYSA-N 1 0 264.285 1.340 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415629019 391469806 /nfs/dbraw/zinc/46/98/06/391469806.db2.gz HIICDGQPTKANGN-SECBINFHSA-N 1 0 296.302 1.807 20 5 CDBDRO Cc1c(CC(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000567245609 391476801 /nfs/dbraw/zinc/47/68/01/391476801.db2.gz RWVWLFUQRIEKHA-ZWNOBZJWSA-N 1 0 291.351 1.784 20 5 CDBDRO Cc1cccc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)n1 ZINC000437904304 391696071 /nfs/dbraw/zinc/69/60/71/391696071.db2.gz XJQNATQVGUISSA-UHFFFAOYSA-N 1 0 275.312 1.627 20 5 CDBDRO O=C1NC2(CO1)CC[NH+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000495135669 391905542 /nfs/dbraw/zinc/90/55/42/391905542.db2.gz AIMNDFLXOUGGEJ-UHFFFAOYSA-N 1 0 291.307 1.669 20 5 CDBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCS1 ZINC000090552047 391912339 /nfs/dbraw/zinc/91/23/39/391912339.db2.gz AMIDBAMWTWXEAQ-UHFFFAOYSA-N 1 0 297.380 1.584 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000261574696 131152926 /nfs/dbraw/zinc/15/29/26/131152926.db2.gz MVSBSURZBMKKBS-VIFPVBQESA-N 1 0 251.286 1.241 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261689125 131161985 /nfs/dbraw/zinc/16/19/85/131161985.db2.gz HLXQDCJESWFDQO-RYUDHWBXSA-N 1 0 275.308 1.276 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000262369182 131215112 /nfs/dbraw/zinc/21/51/12/131215112.db2.gz LLUKFUCCGSIZON-WPRPVWTQSA-N 1 0 279.296 1.028 20 5 CDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]C1 ZINC000262767640 131260405 /nfs/dbraw/zinc/26/04/05/131260405.db2.gz SSGLFVLNEQUXEB-LLVKDONJSA-N 1 0 293.323 1.232 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000262803143 131262875 /nfs/dbraw/zinc/26/28/75/131262875.db2.gz OCWBDSHVQTYORQ-QWRGUYRKSA-N 1 0 293.323 1.088 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000262801698 131262890 /nfs/dbraw/zinc/26/28/90/131262890.db2.gz FEKBVBDGZLQBPV-PSASIEDQSA-N 1 0 278.312 1.047 20 5 CDBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])c(N)n2)CCCC1 ZINC000263962946 131369947 /nfs/dbraw/zinc/36/99/47/131369947.db2.gz PYTQNCLPQKNCJB-UHFFFAOYSA-N 1 0 280.332 1.253 20 5 CDBDRO CO[C@@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C12CCC2 ZINC000459756896 392503002 /nfs/dbraw/zinc/50/30/02/392503002.db2.gz KLCVXTXSBXSKEQ-WDEREUQCSA-N 1 0 280.328 1.376 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC(C)(C)C1 ZINC000459746053 392504089 /nfs/dbraw/zinc/50/40/89/392504089.db2.gz UHRCJGYNYBRUHI-UHFFFAOYSA-N 1 0 252.318 1.912 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459792916 392507035 /nfs/dbraw/zinc/50/70/35/392507035.db2.gz UWHNFZSBTWLDQS-WXHSDQCUSA-N 1 0 277.324 1.535 20 5 CDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N[C@H]1CC[NH2+]C1 ZINC000126697854 392583813 /nfs/dbraw/zinc/58/38/13/392583813.db2.gz NUVBAIGSCIJWEZ-FWEMWIAWSA-N 1 0 279.271 1.225 20 5 CDBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2c([N+](=O)[O-])ncn2C)C[C@@H](C)C1 ZINC000488774454 392725853 /nfs/dbraw/zinc/72/58/53/392725853.db2.gz YNMAHYSWSOVYKC-QJPTWQEYSA-N 1 0 293.371 1.495 20 5 CDBDRO C[C@H]1CC[N@H+](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000524776422 392919500 /nfs/dbraw/zinc/91/95/00/392919500.db2.gz DEKLYUGFZOIGPV-LBPRGKRZSA-N 1 0 291.351 1.595 20 5 CDBDRO C[C@@]1(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]C1 ZINC000269230631 132137333 /nfs/dbraw/zinc/13/73/33/132137333.db2.gz HSRNDPMRKJRCLN-CYBMUJFWSA-N 1 0 297.742 1.864 20 5 CDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269302136 132151912 /nfs/dbraw/zinc/15/19/12/132151912.db2.gz XZSKTHOUTIKPKK-IUCAKERBSA-N 1 0 295.343 1.080 20 5 CDBDRO COc1cc(C(=O)N[C@H](C)[C@H](C)[NH3+])cc([N+](=O)[O-])c1C ZINC000423684001 392967074 /nfs/dbraw/zinc/96/70/74/392967074.db2.gz QWJOILUXTGNVAB-DTWKUNHWSA-N 1 0 281.312 1.377 20 5 CDBDRO C[C@H]1CC[C@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000429570789 393083233 /nfs/dbraw/zinc/08/32/33/393083233.db2.gz VRTOFUULGWNKFG-QWRGUYRKSA-N 1 0 252.318 1.912 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000430199666 393091497 /nfs/dbraw/zinc/09/14/97/393091497.db2.gz DDLUOEUAJGZLOY-BPNCWPANSA-N 1 0 292.335 1.806 20 5 CDBDRO CC[C@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430223682 393095639 /nfs/dbraw/zinc/09/56/39/393095639.db2.gz VKGDJSABGUMDCP-AWEZNQCLSA-N 1 0 280.324 1.950 20 5 CDBDRO C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000430932135 393104474 /nfs/dbraw/zinc/10/44/74/393104474.db2.gz FRAQRCZPVKOAFX-FZMZJTMJSA-N 1 0 279.340 1.643 20 5 CDBDRO COCC[C@](C)(O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449143262 393129189 /nfs/dbraw/zinc/12/91/89/393129189.db2.gz PPYNBKXXUVIYTE-WFASDCNBSA-N 1 0 296.367 1.903 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000449640366 393137691 /nfs/dbraw/zinc/13/76/91/393137691.db2.gz SBQVVYUKRITSPP-WDEREUQCSA-N 1 0 292.339 1.546 20 5 CDBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000275196753 135104673 /nfs/dbraw/zinc/10/46/73/135104673.db2.gz AIUIVIZJILYMRI-NWDGAFQWSA-N 1 0 279.340 1.486 20 5 CDBDRO COc1cc(N2CC[NH+](C[C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000275870858 135114813 /nfs/dbraw/zinc/11/48/13/135114813.db2.gz VPYZFQGKSHPPOS-LLVKDONJSA-N 1 0 295.339 1.106 20 5 CDBDRO COc1cccc(C(=O)NC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000195326559 140153431 /nfs/dbraw/zinc/15/34/31/140153431.db2.gz XRIBJTOLFPBQFL-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO COc1cc(N2C[C@@H](C[NH3+])C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000227861054 140188434 /nfs/dbraw/zinc/18/84/34/140188434.db2.gz RRSXVYVZVJLTGQ-DTWKUNHWSA-N 1 0 283.303 1.916 20 5 CDBDRO C[C@H](CC[S@](C)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000228346751 140194720 /nfs/dbraw/zinc/19/47/20/140194720.db2.gz PJNNDKVNPWILDV-MGNBDDOMSA-N 1 0 270.354 1.842 20 5 CDBDRO CCC[C@@H]([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856887 140219961 /nfs/dbraw/zinc/21/99/61/140219961.db2.gz NPXHHTPMZGGGFR-LLVKDONJSA-N 1 0 265.313 1.647 20 5 CDBDRO CCCC[C@@H]([NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000236750702 140243836 /nfs/dbraw/zinc/24/38/36/140243836.db2.gz SKJGKRGBPYUVOY-GFCCVEGCSA-N 1 0 279.340 1.771 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NCC1([NH3+])CCCCC1 ZINC000261576764 140353871 /nfs/dbraw/zinc/35/38/71/140353871.db2.gz NZCIPBCNGUDBKB-UHFFFAOYSA-N 1 0 253.306 1.402 20 5 CDBDRO COCC[NH2+]CCNc1c(F)cccc1[N+](=O)[O-] ZINC000261584596 140356615 /nfs/dbraw/zinc/35/66/15/140356615.db2.gz SKBASKJHBNPEKP-UHFFFAOYSA-N 1 0 257.265 1.382 20 5 CDBDRO COC[C@@]1(CNC(=O)c2csc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000261654829 140369982 /nfs/dbraw/zinc/36/99/82/140369982.db2.gz DNQRWKNHLPHTBB-LBPRGKRZSA-N 1 0 299.352 1.155 20 5 CDBDRO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)C[C@H]12 ZINC000261726095 140381155 /nfs/dbraw/zinc/38/11/55/140381155.db2.gz KUICMVHKYWBXMW-DUFXMDAXSA-N 1 0 279.315 1.903 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]12 ZINC000261726097 140381257 /nfs/dbraw/zinc/38/12/57/140381257.db2.gz KUICMVHKYWBXMW-GAJTVXKRSA-N 1 0 279.315 1.903 20 5 CDBDRO COc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000261775658 140387320 /nfs/dbraw/zinc/38/73/20/140387320.db2.gz WLNLNCRCTDDACX-XQQFMLRXSA-N 1 0 291.351 1.773 20 5 CDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261804678 140391638 /nfs/dbraw/zinc/39/16/38/140391638.db2.gz WEIYHLPHTSPQBS-CYBMUJFWSA-N 1 0 291.351 1.642 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000261841130 140396982 /nfs/dbraw/zinc/39/69/82/140396982.db2.gz VQNMXXIBBCPWFL-ONGXEEELSA-N 1 0 299.352 1.013 20 5 CDBDRO CC1(C)[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@@H]2CCO[C@@H]21 ZINC000451468491 398087297 /nfs/dbraw/zinc/08/72/97/398087297.db2.gz UQIBSTWUSOGCEB-WCQGTBRESA-N 1 0 280.328 1.194 20 5 CDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)C[C@H]12 ZINC000248559884 148872865 /nfs/dbraw/zinc/87/28/65/148872865.db2.gz AQJQMGQCSXMBCY-XHNCKOQMSA-N 1 0 281.337 1.466 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(O)CCOCC2)c(F)c1 ZINC000313691217 149246726 /nfs/dbraw/zinc/24/67/26/149246726.db2.gz QZVOHAVFOHWDPC-UHFFFAOYSA-N 1 0 284.287 1.365 20 5 CDBDRO C[C@@H]1[C@H](Nc2c([N+](=O)[O-])ncn2C)CCC[N@@H+]1C ZINC000343451223 152182940 /nfs/dbraw/zinc/18/29/40/152182940.db2.gz FTZQHSRFCMGIGU-RKDXNWHRSA-N 1 0 253.306 1.223 20 5 CDBDRO Cn1c(C(=O)NCC2CCC(C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000343595410 152237383 /nfs/dbraw/zinc/23/73/83/152237383.db2.gz BBIKBALFQBUJDW-UHFFFAOYSA-N 1 0 294.355 1.428 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)CO ZINC000344791916 152645156 /nfs/dbraw/zinc/64/51/56/152645156.db2.gz LXVQBYGMMNNMRF-CDCCAWJDSA-N 1 0 250.298 1.969 20 5 CDBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCC[C@@H]1O ZINC000352697335 155372148 /nfs/dbraw/zinc/37/21/48/155372148.db2.gz KYLULUTZOZMWOK-STQMWFEESA-N 1 0 290.323 1.816 20 5 CDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH3+])C1 ZINC000346094126 153049905 /nfs/dbraw/zinc/04/99/05/153049905.db2.gz ZGRYEYGCYNQYII-QWRGUYRKSA-N 1 0 292.339 1.345 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000235653110 292282851 /nfs/dbraw/zinc/28/28/51/292282851.db2.gz VVHZYACHWUKLDD-GXSJLCMTSA-N 1 0 263.297 1.322 20 5 CDBDRO C[NH+](C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000349325948 154088845 /nfs/dbraw/zinc/08/88/45/154088845.db2.gz KHHGXMWDVIXSMT-UHFFFAOYSA-N 1 0 289.295 1.632 20 5 CDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000349878277 154253768 /nfs/dbraw/zinc/25/37/68/154253768.db2.gz VQJJXICXZXLEFH-NXEZZACHSA-N 1 0 295.343 1.168 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000375250516 160357384 /nfs/dbraw/zinc/35/73/84/160357384.db2.gz OOGPHIJIFJVKRN-BXUZGUMPSA-N 1 0 275.308 1.841 20 5 CDBDRO CCCC[C@H]([NH3+])C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354074487 156255703 /nfs/dbraw/zinc/25/57/03/156255703.db2.gz VEVOKBHYYQNBPG-JTQLQIEISA-N 1 0 291.311 1.349 20 5 CDBDRO CC[N@@H+](CC(N)=O)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000355356662 157002104 /nfs/dbraw/zinc/00/21/04/157002104.db2.gz YUVPKSLETMDKGD-YRNVUSSQSA-N 1 0 277.324 1.805 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000359606606 158308082 /nfs/dbraw/zinc/30/80/82/158308082.db2.gz YPFLXRLBBLSAMV-UHFFFAOYSA-N 1 0 285.731 1.882 20 5 CDBDRO COc1ccc(OCC[NH2+][C@@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC000362178453 159091902 /nfs/dbraw/zinc/09/19/02/159091902.db2.gz KPPLCNJARHDADX-LBPRGKRZSA-N 1 0 298.339 1.589 20 5 CDBDRO CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@@H+]1C ZINC000408363383 160756366 /nfs/dbraw/zinc/75/63/66/160756366.db2.gz WOIBSUAEQFJRIR-LBPRGKRZSA-N 1 0 294.355 1.346 20 5 CDBDRO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](CC[N+](=O)[O-])C1 ZINC000930683284 745596724 /nfs/dbraw/zinc/59/67/24/745596724.db2.gz FTDIRGAJZBVAEH-GFCCVEGCSA-N 1 0 258.318 1.317 20 5 CDBDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035140993 172007950 /nfs/dbraw/zinc/00/79/50/172007950.db2.gz VKWORQHCNAYXPH-JTQLQIEISA-N 1 0 265.313 1.770 20 5 CDBDRO C[NH+](C)CCC1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285605612 196342400 /nfs/dbraw/zinc/34/24/00/196342400.db2.gz PURWGDVLCKZISK-UHFFFAOYSA-N 1 0 295.343 1.122 20 5 CDBDRO Cn1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000040675914 174373368 /nfs/dbraw/zinc/37/33/68/174373368.db2.gz VIBZVTQIEDVNEF-UHFFFAOYSA-N 1 0 260.297 1.661 20 5 CDBDRO CC(=O)N1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000040675984 174373911 /nfs/dbraw/zinc/37/39/11/174373911.db2.gz FUIRNXVOUPNGLX-UHFFFAOYSA-N 1 0 291.351 1.738 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000044501372 175185951 /nfs/dbraw/zinc/18/59/51/175185951.db2.gz SOEVRTUADYXJLA-VIFPVBQESA-N 1 0 297.742 1.978 20 5 CDBDRO Cc1ccc(C(=O)N2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000044528706 175193607 /nfs/dbraw/zinc/19/36/07/175193607.db2.gz SYLYTTIWMDSTQS-LLVKDONJSA-N 1 0 277.324 1.714 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000070447017 175938758 /nfs/dbraw/zinc/93/87/58/175938758.db2.gz MAXLYXXSEWMJFJ-OQHXTRMZSA-N 1 0 277.324 1.708 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000071143506 176040928 /nfs/dbraw/zinc/04/09/28/176040928.db2.gz VWEYRIAWXBATIX-LLVKDONJSA-N 1 0 277.324 1.585 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000071143839 176041030 /nfs/dbraw/zinc/04/10/30/176041030.db2.gz NGOBQZYRMGQCJE-LLVKDONJSA-N 1 0 277.324 1.205 20 5 CDBDRO CN(C(=O)c1cc(F)ccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000071310009 176116653 /nfs/dbraw/zinc/11/66/53/176116653.db2.gz OPMHGMZLLDMNIG-VIFPVBQESA-N 1 0 267.260 1.168 20 5 CDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@H]1CCC[NH2+]C1 ZINC000071397173 176150928 /nfs/dbraw/zinc/15/09/28/176150928.db2.gz BOMBZVHWPQFNJW-SYTKJHMZSA-N 1 0 275.308 1.476 20 5 CDBDRO CC[N@@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000078596953 177357984 /nfs/dbraw/zinc/35/79/84/177357984.db2.gz BIPRJWZVZNSOBL-UHFFFAOYSA-N 1 0 291.351 1.692 20 5 CDBDRO C[C@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000417980386 533682930 /nfs/dbraw/zinc/68/29/30/533682930.db2.gz KHCVRXYRCOTGHX-MVVXRAEJSA-N 1 0 290.323 1.173 20 5 CDBDRO COc1ccc(CN2C[C@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000070078704 260151237 /nfs/dbraw/zinc/15/12/37/260151237.db2.gz DFZVRPSMTVKFMB-QWRGUYRKSA-N 1 0 279.340 1.786 20 5 CDBDRO C[C@H](CNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-])[NH+](C)C ZINC001589877254 1173194091 /nfs/dbraw/zinc/19/40/91/1173194091.db2.gz VRRFROBYMHJMPU-MRVPVSSYSA-N 1 0 291.315 1.137 20 5 CDBDRO Cc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000312093922 270322932 /nfs/dbraw/zinc/32/29/32/270322932.db2.gz DIJJSGVBIPDBTG-AOOOYVTPSA-N 1 0 265.288 1.698 20 5 CDBDRO CC(C)[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])[C@@H](C)[NH3+] ZINC000399720878 270374970 /nfs/dbraw/zinc/37/49/70/270374970.db2.gz IGIRESGAZWVZOA-MFKMUULPSA-N 1 0 279.340 1.830 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000156601427 273967547 /nfs/dbraw/zinc/96/75/47/273967547.db2.gz LIQUBARUUXPHRP-GFCCVEGCSA-N 1 0 278.312 1.811 20 5 CDBDRO COc1cc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000362666262 274096978 /nfs/dbraw/zinc/09/69/78/274096978.db2.gz PUEWFYZRWWAKTA-UWVGGRQHSA-N 1 0 295.314 1.740 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415377717 274238127 /nfs/dbraw/zinc/23/81/27/274238127.db2.gz BKEYRZXJALVQQI-KOLCDFICSA-N 1 0 293.327 1.145 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000070177056 274289770 /nfs/dbraw/zinc/28/97/70/274289770.db2.gz SOOYCXWYVBHUOV-SCZZXKLOSA-N 1 0 283.353 1.856 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000261608243 275041259 /nfs/dbraw/zinc/04/12/59/275041259.db2.gz RTYMIXNZDKFYKL-GFCCVEGCSA-N 1 0 282.731 1.833 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000422776340 276497025 /nfs/dbraw/zinc/49/70/25/276497025.db2.gz ADSQIOLLZDSPNJ-SNVBAGLBSA-N 1 0 293.323 1.475 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000283857350 276870648 /nfs/dbraw/zinc/87/06/48/276870648.db2.gz UHPQTBONVLGSNM-NSHDSACASA-N 1 0 264.329 1.707 20 5 CDBDRO C[NH2+]C[C@H]1CCN(c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000135052252 277033408 /nfs/dbraw/zinc/03/34/08/277033408.db2.gz SVPSIGDCSJBMSM-SNVBAGLBSA-N 1 0 265.313 1.649 20 5 CDBDRO COC[C@@H](CCO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000219117705 277245705 /nfs/dbraw/zinc/24/57/05/277245705.db2.gz FMCMRKFOMXUHOZ-LLVKDONJSA-N 1 0 288.731 1.735 20 5 CDBDRO C[NH2+]CCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417844430 277271884 /nfs/dbraw/zinc/27/18/84/277271884.db2.gz HMFXJPGBQUSAEX-JTQLQIEISA-N 1 0 280.328 1.483 20 5 CDBDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000219070130 277526231 /nfs/dbraw/zinc/52/62/31/277526231.db2.gz HQLMGGWYMUQMKO-BXKDBHETSA-N 1 0 270.354 1.797 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1C[NH3+] ZINC000070176622 277694020 /nfs/dbraw/zinc/69/40/20/277694020.db2.gz SJQATYIWGHZCRI-RKDXNWHRSA-N 1 0 283.353 1.856 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228165769 278747640 /nfs/dbraw/zinc/74/76/40/278747640.db2.gz NEFBVOVMFGIYPJ-VHSXEESVSA-N 1 0 250.302 1.472 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000266275233 278747686 /nfs/dbraw/zinc/74/76/86/278747686.db2.gz SBBCFSGLVLRIQR-LBPRGKRZSA-N 1 0 274.324 1.749 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000216204662 278864827 /nfs/dbraw/zinc/86/48/27/278864827.db2.gz XJZJWXMDNNLPRD-UWVGGRQHSA-N 1 0 250.302 1.472 20 5 CDBDRO CC[NH+](CC)CCCCNc1c([N+](=O)[O-])ncn1C ZINC000049432266 279175206 /nfs/dbraw/zinc/17/52/06/279175206.db2.gz GCSFEGVPYUXLNW-UHFFFAOYSA-N 1 0 269.349 1.862 20 5 CDBDRO CCOCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665284 279210705 /nfs/dbraw/zinc/21/07/05/279210705.db2.gz CNMBWPRGLOIVEO-NSHDSACASA-N 1 0 280.328 1.513 20 5 CDBDRO C[C@H](CCN1CCOCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000124243245 279263977 /nfs/dbraw/zinc/26/39/77/279263977.db2.gz YIGLQAGCGXERIJ-CYBMUJFWSA-N 1 0 293.367 1.795 20 5 CDBDRO COC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000090539343 279278744 /nfs/dbraw/zinc/27/87/44/279278744.db2.gz JOSAKPREGJLIGG-NSHDSACASA-N 1 0 256.306 1.052 20 5 CDBDRO C[C@H](C[NH3+])N(C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000347211496 279293103 /nfs/dbraw/zinc/29/31/03/279293103.db2.gz OVIPSFCPISACJR-MRVPVSSYSA-N 1 0 289.282 1.975 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000111303560 279322561 /nfs/dbraw/zinc/32/25/61/279322561.db2.gz YHLFJQSPDPVCPZ-XUIVZRPNSA-N 1 0 263.297 1.462 20 5 CDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C1 ZINC000211460873 280085777 /nfs/dbraw/zinc/08/57/77/280085777.db2.gz DVQREXAFNNXTPL-GZTOBOFZSA-N 1 0 261.281 1.086 20 5 CDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[NH2+]C1 ZINC000214311395 280087409 /nfs/dbraw/zinc/08/74/09/280087409.db2.gz FTTFKRWVRGWAPJ-VVEJJEBESA-N 1 0 275.308 1.476 20 5 CDBDRO C[C@H]1[C@@H](C)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1C ZINC000419373644 280097265 /nfs/dbraw/zinc/09/72/65/280097265.db2.gz OOBLXJJNJIYRLX-OPRDCNLKSA-N 1 0 252.318 1.805 20 5 CDBDRO C[C@H](c1ccco1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247343670 280329128 /nfs/dbraw/zinc/32/91/28/280329128.db2.gz GGBFAOMMHQROCV-ZYHUDNBSSA-N 1 0 294.311 1.438 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000415478190 280401250 /nfs/dbraw/zinc/40/12/50/280401250.db2.gz CRIIBNCRDITRCY-SNVBAGLBSA-N 1 0 278.312 1.695 20 5 CDBDRO Cc1cccc(N2CC[NH+](C[C@H](C)O)CC2)c1[N+](=O)[O-] ZINC000275391015 281228091 /nfs/dbraw/zinc/22/80/91/281228091.db2.gz CNYHDQZTCCHVQQ-LBPRGKRZSA-N 1 0 279.340 1.406 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000086467344 288328300 /nfs/dbraw/zinc/32/83/00/288328300.db2.gz RRCWQZQUYJLTDO-VHSXEESVSA-N 1 0 263.297 1.417 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)C[NH+](C)C ZINC000291867114 281597671 /nfs/dbraw/zinc/59/76/71/281597671.db2.gz NGTASMODKZVFAF-SECBINFHSA-N 1 0 269.349 1.729 20 5 CDBDRO Cc1cnc(N2CC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000261609235 281611357 /nfs/dbraw/zinc/61/13/57/281611357.db2.gz SCIGWNVSVWORRW-ZDUSSCGKSA-N 1 0 262.313 1.488 20 5 CDBDRO CC1=CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000556828969 290305552 /nfs/dbraw/zinc/30/55/52/290305552.db2.gz ABIFTDLPLFNMKO-LLVKDONJSA-N 1 0 250.302 1.880 20 5 CDBDRO CCC[C@@H](O)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000563142191 293288056 /nfs/dbraw/zinc/28/80/56/293288056.db2.gz OLFZARJGRGISLL-OLZOCXBDSA-N 1 0 298.339 1.085 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000564728789 293402557 /nfs/dbraw/zinc/40/25/57/293402557.db2.gz FNZTYFXYIUTUNF-GHMZBOCLSA-N 1 0 294.355 1.639 20 5 CDBDRO CC[NH+](CC)CCCSc1ncc([N+](=O)[O-])c(N)n1 ZINC000565313371 293590693 /nfs/dbraw/zinc/59/06/93/293590693.db2.gz FXWUHFQRVNAJGM-UHFFFAOYSA-N 1 0 285.373 1.621 20 5 CDBDRO CC(C)[NH2+]CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000568648790 294077908 /nfs/dbraw/zinc/07/79/08/294077908.db2.gz JWBKKKUHYGXHQI-UHFFFAOYSA-N 1 0 263.297 1.482 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](C)CC1 ZINC000570399090 294231330 /nfs/dbraw/zinc/23/13/30/294231330.db2.gz JEWOUNAIJCYOER-UHFFFAOYSA-N 1 0 292.339 1.917 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000262018587 295245649 /nfs/dbraw/zinc/24/56/49/295245649.db2.gz WZJDGRLOFVXMMV-JTQLQIEISA-N 1 0 278.312 1.130 20 5 CDBDRO CN(C(=O)c1c[nH]nc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000563519977 316322873 /nfs/dbraw/zinc/32/28/73/316322873.db2.gz VZVPRORGJFCENA-UHFFFAOYSA-N 1 0 295.343 1.264 20 5 CDBDRO CNc1ccc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000569843495 316861538 /nfs/dbraw/zinc/86/15/38/316861538.db2.gz UXMYAMOAXSKNNJ-NXEZZACHSA-N 1 0 292.339 1.459 20 5 CDBDRO CCC[NH2+][C@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000576700690 317189592 /nfs/dbraw/zinc/18/95/92/317189592.db2.gz PSPJNFMOWSGKJV-SNVBAGLBSA-N 1 0 265.313 1.599 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](C)[NH3+])c1 ZINC000381348832 323625389 /nfs/dbraw/zinc/62/53/89/323625389.db2.gz HLLGZNUYQXESIV-IUCAKERBSA-N 1 0 251.286 1.369 20 5 CDBDRO CN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000385495005 323707979 /nfs/dbraw/zinc/70/79/79/323707979.db2.gz POCPPQUBUOIPKX-FPLPWBNLSA-N 1 0 289.335 1.948 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1-c1nc(C2([NH3+])CCCC2)no1 ZINC000582002416 324879875 /nfs/dbraw/zinc/87/98/75/324879875.db2.gz JQQNMFSYYMHNKG-UHFFFAOYSA-N 1 0 278.272 1.106 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC([C@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000583312870 325149515 /nfs/dbraw/zinc/14/95/15/325149515.db2.gz UPCXXVLLMKWIDF-NSHDSACASA-N 1 0 294.330 1.955 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC001122209143 1161130667 /nfs/dbraw/zinc/13/06/67/1161130667.db2.gz BJGJBHOHUYVVEB-NWDGAFQWSA-N 1 0 291.351 1.960 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(N2CC[C@@H]([NH3+])C2)nc1Cl ZINC001156229301 1161990541 /nfs/dbraw/zinc/99/05/41/1161990541.db2.gz YGNIUPXOJFNQCT-SSDOTTSWSA-N 1 0 256.693 1.489 20 5 CDBDRO CCC[NH2+]CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000054266055 519915925 /nfs/dbraw/zinc/91/59/25/519915925.db2.gz ZXNRFNSOEMUGPS-UHFFFAOYSA-N 1 0 266.301 1.716 20 5 CDBDRO C[NH+](C)CCO[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000337020860 521795418 /nfs/dbraw/zinc/79/54/18/521795418.db2.gz RBLJPPRNYCOJEE-SECBINFHSA-N 1 0 286.357 1.208 20 5 CDBDRO C[NH2+]CC1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000063159399 521974027 /nfs/dbraw/zinc/97/40/27/521974027.db2.gz XGCVSKSSCKYFTJ-UHFFFAOYSA-N 1 0 291.351 1.975 20 5 CDBDRO COc1cc(C(=O)NC[C@H]([NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000161399552 522120621 /nfs/dbraw/zinc/12/06/21/522120621.db2.gz AJBPOBCJNFOGIJ-JTQLQIEISA-N 1 0 279.296 1.071 20 5 CDBDRO COc1cc(N2CCC[NH2+]CC2)c(F)cc1[N+](=O)[O-] ZINC000227840748 522632498 /nfs/dbraw/zinc/63/24/98/522632498.db2.gz XPFLKANMIZHAID-UHFFFAOYSA-N 1 0 269.276 1.542 20 5 CDBDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000047339112 524046521 /nfs/dbraw/zinc/04/65/21/524046521.db2.gz PELLXCQQNVSCID-UHFFFAOYSA-N 1 0 279.340 1.912 20 5 CDBDRO COc1ccc(C[NH2+]Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000041160017 524073294 /nfs/dbraw/zinc/07/32/94/524073294.db2.gz FEUKSWHYAWSOTQ-UHFFFAOYSA-N 1 0 276.296 1.627 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000050709905 524472000 /nfs/dbraw/zinc/47/20/00/524472000.db2.gz KQFBOTBRCACRIE-VIFPVBQESA-N 1 0 280.328 1.247 20 5 CDBDRO Cc1ccc(C[NH2+]CCOCCO)cc1[N+](=O)[O-] ZINC000034995758 524577698 /nfs/dbraw/zinc/57/76/98/524577698.db2.gz CBYNDWBSYONQQR-UHFFFAOYSA-N 1 0 254.286 1.002 20 5 CDBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000337295334 524938899 /nfs/dbraw/zinc/93/88/99/524938899.db2.gz AIVJHYFDDISTLA-ZWNOBZJWSA-N 1 0 293.323 1.236 20 5 CDBDRO O=C(NCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000052851681 526305713 /nfs/dbraw/zinc/30/57/13/526305713.db2.gz WUPCYNVNZRNQMR-UHFFFAOYSA-N 1 0 263.297 1.420 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])ccc1Cl ZINC000053253548 526596357 /nfs/dbraw/zinc/59/63/57/526596357.db2.gz YTVTZMLCMUHEJB-MRVPVSSYSA-N 1 0 283.715 1.730 20 5 CDBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1C ZINC000422749350 536508175 /nfs/dbraw/zinc/50/81/75/536508175.db2.gz YSSLOAZWUFUXBZ-SNVBAGLBSA-N 1 0 279.296 1.004 20 5 CDBDRO [NH3+]C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000236251945 527226492 /nfs/dbraw/zinc/22/64/92/527226492.db2.gz DMMXIXYMYJYNJV-AWEZNQCLSA-N 1 0 291.351 1.771 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[NH2+]CCO2)c2ccncc21 ZINC000157406490 527366197 /nfs/dbraw/zinc/36/61/97/527366197.db2.gz FVUJEAZWVMZFBJ-SNVBAGLBSA-N 1 0 288.307 1.543 20 5 CDBDRO COc1cc(C(=O)N[C@H](C[NH3+])C2CC2)cc([N+](=O)[O-])c1C ZINC000422854685 536516458 /nfs/dbraw/zinc/51/64/58/536516458.db2.gz BFIIVZGJVFDAKA-LLVKDONJSA-N 1 0 293.323 1.379 20 5 CDBDRO COc1ccc(NC(=O)CC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000136483822 536764289 /nfs/dbraw/zinc/76/42/89/536764289.db2.gz UTJXMLIJWAFMEW-JTQLQIEISA-N 1 0 293.323 1.932 20 5 CDBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H](CO)C3CC3)nc2c1 ZINC000771816741 575618821 /nfs/dbraw/zinc/61/88/21/575618821.db2.gz FGRVCUTWNMFXQX-LLVKDONJSA-N 1 0 277.280 1.597 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c2nonc21 ZINC000768526612 576293126 /nfs/dbraw/zinc/29/31/26/576293126.db2.gz OFIDXKVALVSSFK-DTWKUNHWSA-N 1 0 291.311 1.660 20 5 CDBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC(O)C1 ZINC000759873430 576440076 /nfs/dbraw/zinc/44/00/76/576440076.db2.gz NKSGLOVSXBAAEU-WXRRBKDZSA-N 1 0 266.297 1.083 20 5 CDBDRO C[C@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000742234629 576590343 /nfs/dbraw/zinc/59/03/43/576590343.db2.gz GAYHDNYXGIOBER-JECSTDCCSA-N 1 0 289.335 1.771 20 5 CDBDRO Cc1cc(F)cc(C(=O)NCC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000758453486 577109390 /nfs/dbraw/zinc/10/93/90/577109390.db2.gz UYVSESBVYSRDCS-UHFFFAOYSA-N 1 0 295.314 1.866 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1COC[C@@H]1C ZINC000932487731 617314552 /nfs/dbraw/zinc/31/45/52/617314552.db2.gz CLBDJQUPDGWHDX-JOYOIKCWSA-N 1 0 266.297 1.728 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cn3ccnc3s2)c1 ZINC000893133726 617402257 /nfs/dbraw/zinc/40/22/57/617402257.db2.gz FVWQTQOHSDRJNJ-UHFFFAOYSA-N 1 0 292.324 1.290 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N1CCC([NH+](C)C)CC1 ZINC000891779375 617583370 /nfs/dbraw/zinc/58/33/70/617583370.db2.gz JQNXFQXUQKODEH-UHFFFAOYSA-N 1 0 280.328 1.529 20 5 CDBDRO CC[NH+](CC)CC1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000891872643 617698826 /nfs/dbraw/zinc/69/88/26/617698826.db2.gz UOVDIMKKWNVBTF-UHFFFAOYSA-N 1 0 295.387 1.887 20 5 CDBDRO C[N@@H+]1C[C@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000893941176 618204471 /nfs/dbraw/zinc/20/44/71/618204471.db2.gz RNICULWTRHKXQU-RNCFNFMXSA-N 1 0 265.288 1.874 20 5 CDBDRO CC[C@H](C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])OC ZINC000894554473 618961369 /nfs/dbraw/zinc/96/13/69/618961369.db2.gz DRBYFNQLXAQWIH-SNVBAGLBSA-N 1 0 284.312 1.824 20 5 CDBDRO Cc1nnc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000894773113 619048303 /nfs/dbraw/zinc/04/83/03/619048303.db2.gz CJJSNTMQXIAOGH-VIFPVBQESA-N 1 0 275.312 1.915 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1COCO1 ZINC000894878757 619116400 /nfs/dbraw/zinc/11/64/00/619116400.db2.gz LVQGQLKVFVGJQT-RCGFYWBFSA-N 1 0 278.308 1.961 20 5 CDBDRO COc1c(O)ccc(CNCC2([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000894953101 619162534 /nfs/dbraw/zinc/16/25/34/619162534.db2.gz FATSKQGSYNGLGG-UHFFFAOYSA-N 1 0 295.339 1.493 20 5 CDBDRO C[C@@H](Nc1ccsc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895246751 619493717 /nfs/dbraw/zinc/49/37/17/619493717.db2.gz DINDMFMKFNOXHR-KOLCDFICSA-N 1 0 284.385 1.703 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+](C)C)c1C ZINC000895469915 619682863 /nfs/dbraw/zinc/68/28/63/619682863.db2.gz OFKBYGRWYKJJJU-UHFFFAOYSA-N 1 0 279.340 1.893 20 5 CDBDRO C[N@@H+]1CC[C@@H]1CNc1nc2ccccn2c1[N+](=O)[O-] ZINC000895775472 619839639 /nfs/dbraw/zinc/83/96/39/619839639.db2.gz AZFUTJUYXGTJPL-SECBINFHSA-N 1 0 261.285 1.359 20 5 CDBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1c1c([N+](=O)[O-])ncn1C ZINC000896650382 620181951 /nfs/dbraw/zinc/18/19/51/620181951.db2.gz GQMMJRIRQHWAOS-LLVKDONJSA-N 1 0 281.360 1.495 20 5 CDBDRO O=C1OCCN1c1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905052708 626387612 /nfs/dbraw/zinc/38/76/12/626387612.db2.gz UOQWGFNXRFZULU-UHFFFAOYSA-N 1 0 265.269 1.010 20 5 CDBDRO O=[N+]([O-])CC[NH2+]Cc1ccccc1Cn1cccn1 ZINC000905022584 626389205 /nfs/dbraw/zinc/38/92/05/626389205.db2.gz AHBGCUXBWJULHY-UHFFFAOYSA-N 1 0 260.297 1.298 20 5 CDBDRO O=[N+]([O-])CC[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000905025326 626390018 /nfs/dbraw/zinc/39/00/18/626390018.db2.gz POOBRJYZYNSVFI-UHFFFAOYSA-N 1 0 250.302 1.048 20 5 CDBDRO CO[C@@H](C[NH2+]CC[N+](=O)[O-])c1cccc(Cl)c1 ZINC000905137496 626650981 /nfs/dbraw/zinc/65/09/81/626650981.db2.gz VCEZJABUCWJQGU-NSHDSACASA-N 1 0 258.705 1.894 20 5 CDBDRO C[C@H](NCC[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000905213547 626694850 /nfs/dbraw/zinc/69/48/50/626694850.db2.gz CHKGIGHKRDEPIW-WCQYABFASA-N 1 0 251.330 1.544 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCCCn1cc(Br)cn1 ZINC000905242732 626721039 /nfs/dbraw/zinc/72/10/39/626721039.db2.gz KATKHMBDDAORAO-UHFFFAOYSA-N 1 0 291.149 1.292 20 5 CDBDRO CC[C@@H](C[NH2+]CC[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000905271376 626727721 /nfs/dbraw/zinc/72/77/21/626727721.db2.gz CAJRLRLGLARQIQ-VIFPVBQESA-N 1 0 261.322 1.156 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCOC2)cc1 ZINC000149694190 628365664 /nfs/dbraw/zinc/36/56/64/628365664.db2.gz IRADEVXETHLHTO-PWSUYJOCSA-N 1 0 252.270 1.007 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]CC1 ZINC000911646951 629392314 /nfs/dbraw/zinc/39/23/14/629392314.db2.gz IIAMSONAYNPVJM-UHFFFAOYSA-N 1 0 281.337 1.362 20 5 CDBDRO CC[NH2+]CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911750692 629468895 /nfs/dbraw/zinc/46/88/95/629468895.db2.gz PNFUYPAUAQCSPG-CHWSQXEVSA-N 1 0 277.324 1.424 20 5 CDBDRO Cc1nc(-n2cnc3ccc(C[NH3+])cc32)ncc1[N+](=O)[O-] ZINC001158012119 1162674958 /nfs/dbraw/zinc/67/49/58/1162674958.db2.gz FEWVLKNUMOUYGO-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N(C(C)C)[C@H]2CC[NH2+]C2)n1 ZINC001158023472 1162684302 /nfs/dbraw/zinc/68/43/02/1162684302.db2.gz WBDRXRXAKOKIBH-VIFPVBQESA-N 1 0 299.762 1.923 20 5 CDBDRO COc1cc(N2C[C@@H](C)[NH2+][C@@H](C)C2)ncc1[N+](=O)[O-] ZINC001158176165 1162756849 /nfs/dbraw/zinc/75/68/49/1162756849.db2.gz KBRZFZDOSPBWMO-DTORHVGOSA-N 1 0 266.301 1.185 20 5 CDBDRO C[C@@H](Nc1cc([N+](=O)[O-])c2nccn2c1)[C@@H]1C[NH2+]CCO1 ZINC001170568388 1162947662 /nfs/dbraw/zinc/94/76/62/1162947662.db2.gz OCTGVDQCUURKPM-SKDRFNHKSA-N 1 0 291.311 1.031 20 5 CDBDRO Cc1cccc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001170567744 1162951014 /nfs/dbraw/zinc/95/10/14/1162951014.db2.gz LTWPKYOQMQRNED-JQWIXIFHSA-N 1 0 265.313 1.692 20 5 CDBDRO C[C@H](Nc1cc(F)cc(F)c1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001170571135 1162960116 /nfs/dbraw/zinc/96/01/16/1162960116.db2.gz YISUGMAWEQKAQN-CPCISQLKSA-N 1 0 287.266 1.662 20 5 CDBDRO COc1cc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)ccc1O ZINC001168967396 1161996394 /nfs/dbraw/zinc/99/63/94/1161996394.db2.gz PPCQZKSRJOEANX-NWDGAFQWSA-N 1 0 280.324 1.936 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1NCC12CC[NH+](CC1)CC2 ZINC001169796493 1162017520 /nfs/dbraw/zinc/01/75/20/1162017520.db2.gz ORXCHLFEYCSOCU-UHFFFAOYSA-N 1 0 292.339 1.896 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH2+]C4(CC4)C3)cnc2c1 ZINC001158933324 1163841627 /nfs/dbraw/zinc/84/16/27/1163841627.db2.gz KZGFTCXKMHPNMW-UHFFFAOYSA-N 1 0 285.307 1.480 20 5 CDBDRO O=[N+]([O-])c1cccc2c(N[C@@H]3C[NH2+]C[C@H]3CO)ccnc21 ZINC001170778987 1164112253 /nfs/dbraw/zinc/11/22/53/1164112253.db2.gz BGGBQBBYLYJSNA-JOYOIKCWSA-N 1 0 288.307 1.135 20 5 CDBDRO [NH3+][C@H]1COC[C@H]1Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001155352547 1167139733 /nfs/dbraw/zinc/13/97/33/1167139733.db2.gz BIGLOAIAEDUAJF-NWDGAFQWSA-N 1 0 274.280 1.281 20 5 CDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CC[NH2+]C1 ZINC000058233936 1167220496 /nfs/dbraw/zinc/22/04/96/1167220496.db2.gz YQSGPBDGAAEEQI-GFCCVEGCSA-N 1 0 277.324 1.727 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(NC[C@@]23C[NH2+][C@@H](CO2)C3)n1 ZINC001155541601 1167221924 /nfs/dbraw/zinc/22/19/24/1167221924.db2.gz LNCJPIXWHJOBBQ-PRHODGIISA-N 1 0 298.730 1.494 20 5 CDBDRO C[C@@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)CC[C@@H]1C[NH3+] ZINC001576811685 1171529689 /nfs/dbraw/zinc/52/96/89/1171529689.db2.gz IBNVZJNEMMUPPH-NXEZZACHSA-N 1 0 297.330 1.647 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000070175033 1171646311 /nfs/dbraw/zinc/64/63/11/1171646311.db2.gz HEPCPHJDXGTWHR-ONGXEEELSA-N 1 0 292.339 1.257 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CC[NH2+]2)c1 ZINC001579393420 1172166185 /nfs/dbraw/zinc/16/61/85/1172166185.db2.gz UEAZQTXSRSYTCE-SECBINFHSA-N 1 0 295.364 1.751 20 5 CDBDRO [NH3+]Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)cc1 ZINC001580337408 1172409457 /nfs/dbraw/zinc/40/94/57/1172409457.db2.gz WVYIBWBCWOWSCR-UHFFFAOYSA-N 1 0 261.241 1.029 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccns2)cc1 ZINC000404397429 1186513912 /nfs/dbraw/zinc/51/39/12/1186513912.db2.gz PIJQYDGIXLWQGJ-LBPRGKRZSA-N 1 0 279.321 1.875 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000311686157 1186690440 /nfs/dbraw/zinc/69/04/40/1186690440.db2.gz RQPSIDUPBXNZCS-SECBINFHSA-N 1 0 265.317 1.468 20 5 CDBDRO CC[NH2+]CC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000136475724 751353502 /nfs/dbraw/zinc/35/35/02/751353502.db2.gz JNCZTRJCPFNPHZ-UHFFFAOYSA-N 1 0 253.258 1.151 20 5 CDBDRO CC(F)(F)CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000876972347 753027993 /nfs/dbraw/zinc/02/79/93/753027993.db2.gz SDEDGAUPDMGCKW-GFCCVEGCSA-N 1 0 287.266 1.540 20 5 CDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000876998222 751810535 /nfs/dbraw/zinc/81/05/35/751810535.db2.gz DJGNLINJDVQWKL-ZDUSSCGKSA-N 1 0 295.314 1.804 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)C[NH+](C)C ZINC000822928168 751844895 /nfs/dbraw/zinc/84/48/95/751844895.db2.gz YNWLZSKAKYAUKI-JTQLQIEISA-N 1 0 279.340 1.892 20 5 CDBDRO COCC1(C)C[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000788436585 751850532 /nfs/dbraw/zinc/85/05/32/751850532.db2.gz AXYYWPFANAECGM-ZDUSSCGKSA-N 1 0 280.324 1.597 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000930568365 751885613 /nfs/dbraw/zinc/88/56/13/751885613.db2.gz OOLUJXVGFWLCKW-CYBMUJFWSA-N 1 0 264.325 1.757 20 5 CDBDRO O=[N+]([O-])CC[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000930505234 751952656 /nfs/dbraw/zinc/95/26/56/751952656.db2.gz JBMZXDLRLXRKSN-CQSZACIVSA-N 1 0 282.315 1.329 20 5 CDBDRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000798195261 752833847 /nfs/dbraw/zinc/83/38/47/752833847.db2.gz MBFIAAIIPUUPHX-SNVBAGLBSA-N 1 0 273.333 1.110 20 5 CDBDRO C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000125423981 749434883 /nfs/dbraw/zinc/43/48/83/749434883.db2.gz WLQPBJOMPUYIHE-PWSUYJOCSA-N 1 0 284.360 1.424 20 5 CDBDRO CC(C)(CO)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000135095516 749453885 /nfs/dbraw/zinc/45/38/85/749453885.db2.gz SIQUVBLZBQBWQS-GFCCVEGCSA-N 1 0 268.313 1.236 20 5 CDBDRO Cc1c(C[NH2+][C@H]2CCCCNC2=O)cccc1[N+](=O)[O-] ZINC000231885438 749710200 /nfs/dbraw/zinc/71/02/00/749710200.db2.gz GSGCVYAHQGDGFK-LBPRGKRZSA-N 1 0 277.324 1.662 20 5 CDBDRO COc1ccc(NC(=O)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000136477320 749755295 /nfs/dbraw/zinc/75/52/95/749755295.db2.gz ADDDFSQRZMUXJM-UHFFFAOYSA-N 1 0 279.296 1.542 20 5 CDBDRO CCC[NH2+][C@H](C)c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000843222355 749806047 /nfs/dbraw/zinc/80/60/47/749806047.db2.gz HDBFQUJXESWYBX-SSDOTTSWSA-N 1 0 280.288 1.439 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132783455 749821950 /nfs/dbraw/zinc/82/19/50/749821950.db2.gz PVFDCGIDXUUKKJ-UFBFGSQYSA-N 1 0 281.287 1.591 20 5 CDBDRO Cc1cc(C(=O)N2CC[NH2+]C(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000134852226 749846351 /nfs/dbraw/zinc/84/63/51/749846351.db2.gz MTXZXVBZDKYWCB-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO O=[N+]([O-])c1ccnn1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000131353767 749885820 /nfs/dbraw/zinc/88/58/20/749885820.db2.gz WKXANERYKUIILN-LBPRGKRZSA-N 1 0 279.344 1.167 20 5 CDBDRO O=[N+]([O-])c1ccc(Cc2noc([C@@H]3C[C@H]4C[C@H]4[NH2+]3)n2)nc1 ZINC000822863387 749926740 /nfs/dbraw/zinc/92/67/40/749926740.db2.gz QWRLBDJEFOOZIB-ONOSFVFSSA-N 1 0 287.279 1.387 20 5 CDBDRO O=[N+]([O-])CCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000930459729 749961107 /nfs/dbraw/zinc/96/11/07/749961107.db2.gz JCKHYWZAYMFGEI-INIZCTEOSA-N 1 0 289.379 1.861 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701067962 750011313 /nfs/dbraw/zinc/01/13/13/750011313.db2.gz LGEIFNIDUABABF-ZCFIWIBFSA-N 1 0 257.677 1.325 20 5 CDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776597109 750189811 /nfs/dbraw/zinc/18/98/11/750189811.db2.gz HJIPJSSFBRMFFB-JMSVASOKSA-N 1 0 293.367 1.653 20 5 CDBDRO NC(=O)C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809785613 750199684 /nfs/dbraw/zinc/19/96/84/750199684.db2.gz WUWMNXMTNKLCND-JTQLQIEISA-N 1 0 297.742 1.946 20 5 CDBDRO Cc1n[nH]cc1C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000879187697 750200156 /nfs/dbraw/zinc/20/01/56/750200156.db2.gz BBIMBNJUNRITDW-CQSZACIVSA-N 1 0 290.323 1.792 20 5 CDBDRO Nc1ccc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000825188326 750200704 /nfs/dbraw/zinc/20/07/04/750200704.db2.gz JAWCEPCICYODSF-WPRPVWTQSA-N 1 0 278.312 1.034 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H](CF)C2)cc1 ZINC000880298958 750235083 /nfs/dbraw/zinc/23/50/83/750235083.db2.gz MNSWBGDMWHYZML-GWCFXTLKSA-N 1 0 268.288 1.920 20 5 CDBDRO COC(=O)N[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000886863442 750301975 /nfs/dbraw/zinc/30/19/75/750301975.db2.gz FTXYTINJYDMMJQ-NSHDSACASA-N 1 0 279.296 1.525 20 5 CDBDRO C[C@@H]([NH2+]C1CCS(=O)(=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000036331096 750324505 /nfs/dbraw/zinc/32/45/05/750324505.db2.gz SMILXLUYKZSOMU-SNVBAGLBSA-N 1 0 298.364 1.823 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCn2ccnc2)cc1 ZINC000776271403 750462805 /nfs/dbraw/zinc/46/28/05/750462805.db2.gz AQHZWJSMTVARCD-AWEZNQCLSA-N 1 0 290.323 1.505 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923283286 750850055 /nfs/dbraw/zinc/85/00/55/750850055.db2.gz UKXVHFGQGRQTRA-DOMZBBRYSA-N 1 0 293.367 1.560 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@H+](CCO)CC1CC1 ZINC000885964712 750855153 /nfs/dbraw/zinc/85/51/53/750855153.db2.gz DYMNZOCNNSGGHV-UHFFFAOYSA-N 1 0 251.286 1.194 20 5 CDBDRO C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000819390917 750889327 /nfs/dbraw/zinc/88/93/27/750889327.db2.gz XDQBTPRGRYXISR-GXFFZTMASA-N 1 0 267.329 1.168 20 5 CDBDRO C[NH+](C)CCCCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865798604 750892021 /nfs/dbraw/zinc/89/20/21/750892021.db2.gz ZAPPSDMBJFSFGV-UHFFFAOYSA-N 1 0 297.330 1.734 20 5 CDBDRO [NH3+]CCN(Cc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000809736455 750895713 /nfs/dbraw/zinc/89/57/13/750895713.db2.gz VMLSSZWFQHSPJF-UHFFFAOYSA-N 1 0 272.308 1.955 20 5 CDBDRO CN(C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C1C[NH2+]C1 ZINC000841233048 750961491 /nfs/dbraw/zinc/96/14/91/750961491.db2.gz JPIKVJOCQWAETJ-UHFFFAOYSA-N 1 0 284.703 1.684 20 5 CDBDRO COc1ccc(C[NH2+]CCN(C)OC)cc1[N+](=O)[O-] ZINC000883172230 751115216 /nfs/dbraw/zinc/11/52/16/751115216.db2.gz AMBHUSZWBIPPOS-UHFFFAOYSA-N 1 0 269.301 1.186 20 5 CDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001029304849 751246998 /nfs/dbraw/zinc/24/69/98/751246998.db2.gz LVXHWJWRAMGQRW-XJFOESAGSA-N 1 0 293.367 1.127 20 5 CDBDRO CC[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1O ZINC000886094711 752351000 /nfs/dbraw/zinc/35/10/00/752351000.db2.gz XVFLGXCMOUMYRN-MWLCHTKSSA-N 1 0 251.286 1.193 20 5 CDBDRO Cc1nn(C)cc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809736177 752366112 /nfs/dbraw/zinc/36/61/12/752366112.db2.gz ITQFVAKPWDFAHH-UHFFFAOYSA-N 1 0 289.339 1.602 20 5 CDBDRO CC[C@]1(O)CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000879313725 752372924 /nfs/dbraw/zinc/37/29/24/752372924.db2.gz OFPWFLNMXHILJE-GJZGRUSLSA-N 1 0 294.351 1.865 20 5 CDBDRO CC(=O)NCC[N@@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877606230 752499486 /nfs/dbraw/zinc/49/94/86/752499486.db2.gz UPHOWFLQONWPNG-UHFFFAOYSA-N 1 0 279.340 1.780 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000086468399 752773888 /nfs/dbraw/zinc/77/38/88/752773888.db2.gz LNSBSXVUKOCTFR-VHSXEESVSA-N 1 0 278.312 1.809 20 5 CDBDRO C[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817585798 752804278 /nfs/dbraw/zinc/80/42/78/752804278.db2.gz IFXNUVMFKXGLSH-SECBINFHSA-N 1 0 292.339 1.483 20 5 CDBDRO [NH3+]C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000843069529 752862152 /nfs/dbraw/zinc/86/21/52/752862152.db2.gz RFTLKEPUVMEWPI-NSHDSACASA-N 1 0 285.731 1.408 20 5 CDBDRO COc1ccc(C2([NH2+]CC[N+](=O)[O-])CCOCC2)cc1 ZINC000929971372 752875022 /nfs/dbraw/zinc/87/50/22/752875022.db2.gz NVUJJTAGJKCUDA-UHFFFAOYSA-N 1 0 280.324 1.567 20 5 CDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCC(C)(C)C)C1 ZINC001042705576 752885428 /nfs/dbraw/zinc/88/54/28/752885428.db2.gz JGTWEVZVXBHWOQ-VXGBXAGGSA-N 1 0 283.372 1.230 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CCO1 ZINC000128537710 752928156 /nfs/dbraw/zinc/92/81/56/752928156.db2.gz MPISHWJTBBKNKA-NOZJJQNGSA-N 1 0 283.303 1.282 20 5 CDBDRO C[C@H]([NH3+])CN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000863569563 753058936 /nfs/dbraw/zinc/05/89/36/753058936.db2.gz WDCDGEPEIZHUKN-QMMMGPOBSA-N 1 0 264.285 1.515 20 5 CDBDRO CC(C)(C(=O)NCC1C[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000261924733 753069957 /nfs/dbraw/zinc/06/99/57/753069957.db2.gz AVAYJWBKESLYKT-UHFFFAOYSA-N 1 0 277.324 1.208 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C[C@@H](C)[NH3+] ZINC000863565635 753106990 /nfs/dbraw/zinc/10/69/90/753106990.db2.gz PIRVCTKFTTVOQF-SNVBAGLBSA-N 1 0 280.328 1.121 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)cc1 ZINC000886231924 753120683 /nfs/dbraw/zinc/12/06/83/753120683.db2.gz NFRMTAJISKDEKG-OCCSQVGLSA-N 1 0 280.324 1.614 20 5 CDBDRO O=C(NCC1CC[NH2+]CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000706285844 753300458 /nfs/dbraw/zinc/30/04/58/753300458.db2.gz XEKALQVGIHAIDH-UHFFFAOYSA-N 1 0 297.742 1.978 20 5 CDBDRO C[C@@H]1[NH2+]C[C@H](C)N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000923434783 753306640 /nfs/dbraw/zinc/30/66/40/753306640.db2.gz AJNKVXAIKHOKIB-JUFZMCDQSA-N 1 0 293.367 1.699 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)c1ccnc(F)c1[N+](=O)[O-] ZINC000882198504 753346583 /nfs/dbraw/zinc/34/65/83/753346583.db2.gz WYAXWCDLPGKACX-UHFFFAOYSA-N 1 0 268.292 1.659 20 5 CDBDRO CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(F)c1 ZINC001001523770 753379531 /nfs/dbraw/zinc/37/95/31/753379531.db2.gz OIIGNZHHTCRFDS-DGCLKSJQSA-N 1 0 295.314 1.217 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CCC1 ZINC000097929864 753576796 /nfs/dbraw/zinc/57/67/96/753576796.db2.gz NNKBGGRRYKUHNJ-UHFFFAOYSA-N 1 0 295.314 1.948 20 5 CDBDRO CC(C)[NH2+]CCc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000843169978 753731390 /nfs/dbraw/zinc/73/13/90/753731390.db2.gz XEEJQSZQZSTBLB-UHFFFAOYSA-N 1 0 291.311 1.768 20 5 CDBDRO COCC[NH2+]CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000841047441 753790140 /nfs/dbraw/zinc/79/01/40/753790140.db2.gz BGBOVNYGWLGKDT-UHFFFAOYSA-N 1 0 287.747 1.574 20 5 CDBDRO C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000796398743 753815350 /nfs/dbraw/zinc/81/53/50/753815350.db2.gz QIFQXKVOZQCITD-JIMOISOXSA-N 1 0 282.365 1.969 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH3+])C1 ZINC001173217751 912300424 /nfs/dbraw/zinc/30/04/24/912300424.db2.gz LXFOXTJBZRIUBQ-DGCLKSJQSA-N 1 0 263.341 1.949 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@]1(CO)CCOC1 ZINC001173231464 912326474 /nfs/dbraw/zinc/32/64/74/912326474.db2.gz ZOUDFSNOJSOKMH-BXUZGUMPSA-N 1 0 280.324 1.267 20 5 CDBDRO CN1Cc2cc(N[C@H]3CC[N@H+](C)C3)cc([N+](=O)[O-])c2N1 ZINC001167284706 895079553 /nfs/dbraw/zinc/07/95/53/895079553.db2.gz MZNHPZHMDCJNKB-JTQLQIEISA-N 1 0 277.328 1.483 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1ccc([N+](=O)[O-])c2cnccc21 ZINC001167689083 898155420 /nfs/dbraw/zinc/15/54/20/898155420.db2.gz DMFSRKDRISAJPW-UHFFFAOYSA-N 1 0 295.302 1.872 20 5 CDBDRO N=C(Nc1ccc2c([N+](=O)[O-])c[nH]c2n1)SCC[NH3+] ZINC001167909776 902098913 /nfs/dbraw/zinc/09/89/13/902098913.db2.gz MHCFUENCHPCXMM-UHFFFAOYSA-N 1 0 280.313 1.510 20 5 CDBDRO COc1nc(C)c(N[C@H]2C[NH2+]CC[C@H]2F)cc1[N+](=O)[O-] ZINC001168226997 907943351 /nfs/dbraw/zinc/94/33/51/907943351.db2.gz SFIKAOTYZUALFR-SCZZXKLOSA-N 1 0 284.291 1.419 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH2+]CC[C@H]2F)cnc1F ZINC001168231432 907954236 /nfs/dbraw/zinc/95/42/36/907954236.db2.gz ONYHMIAVRILMBV-SFYZADRCSA-N 1 0 258.228 1.241 20 5 CDBDRO [NH3+]C[C@H]1COc2ccccc2N1c1ccc([N+](=O)[O-])cn1 ZINC001171390179 909571411 /nfs/dbraw/zinc/57/14/11/909571411.db2.gz SXSMYSXSCQUJEP-NSHDSACASA-N 1 0 286.291 1.848 20 5 CDBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1cccnc1[N+](=O)[O-] ZINC001171401121 909671536 /nfs/dbraw/zinc/67/15/36/909671536.db2.gz RYLDMRZSXKPBPY-SNVBAGLBSA-N 1 0 286.291 1.848 20 5 CDBDRO CN1C[C@H](CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)CC1=O ZINC001168726676 921609059 /nfs/dbraw/zinc/60/90/59/921609059.db2.gz MVSFWSQTLAVRMM-VIFPVBQESA-N 1 0 290.323 1.088 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCCF)c1 ZINC001120495273 912000536 /nfs/dbraw/zinc/00/05/36/912000536.db2.gz JFJOGJGVOHWQJL-NSHDSACASA-N 1 0 272.276 1.284 20 5 CDBDRO C[N@H+](C[C@H](O)CO)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904906 912038544 /nfs/dbraw/zinc/03/85/44/912038544.db2.gz PMESAVXSWIMOMB-HIFRSBDPSA-N 1 0 294.351 1.127 20 5 CDBDRO C[C@@H]1CC[C@@H](C[NH3+])CN1c1ccc([N+](=O)[O-])c(N)n1 ZINC000094261968 915730848 /nfs/dbraw/zinc/73/08/48/915730848.db2.gz QQXOFFRGJOQRCD-BDAKNGLRSA-N 1 0 265.317 1.136 20 5 CDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001168601916 919394796 /nfs/dbraw/zinc/39/47/96/919394796.db2.gz VODURHAXTKLGKQ-JQWIXIFHSA-N 1 0 280.328 1.513 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](Nc2c(F)c([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001162390103 922462464 /nfs/dbraw/zinc/46/24/64/922462464.db2.gz CBQGHBUWCVBEAQ-YUMQZZPRSA-N 1 0 270.264 1.049 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000702054343 922465947 /nfs/dbraw/zinc/46/59/47/922465947.db2.gz DCGVNEXTQPSFGG-QMMMGPOBSA-N 1 0 283.715 1.669 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001162395910 922494091 /nfs/dbraw/zinc/49/40/91/922494091.db2.gz WVVPIYRZTMNWKF-RKDXNWHRSA-N 1 0 265.317 1.713 20 5 CDBDRO Cc1ncc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001168976057 927560751 /nfs/dbraw/zinc/56/07/51/927560751.db2.gz YXEGRFUGLAJPCW-JQWIXIFHSA-N 1 0 250.302 1.320 20 5 CDBDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168980669 927568182 /nfs/dbraw/zinc/56/81/82/927568182.db2.gz FKPXJCDERAWBSN-QCNOEVLYSA-N 1 0 270.329 1.363 20 5 CDBDRO Cc1cc(C)n(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168964229 927587050 /nfs/dbraw/zinc/58/70/50/927587050.db2.gz SCABNZKDGZSVLL-STQMWFEESA-N 1 0 266.345 1.535 20 5 CDBDRO COC(=O)C(C)(C)C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168966272 927589843 /nfs/dbraw/zinc/58/98/43/927589843.db2.gz HFXBEHXLCPJLSH-NXEZZACHSA-N 1 0 258.318 1.221 20 5 CDBDRO NC(=O)[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168975867 927599413 /nfs/dbraw/zinc/59/94/13/927599413.db2.gz XRQLTUABVVNCGH-RTXFEEFZSA-N 1 0 277.324 1.248 20 5 CDBDRO CCOC(=O)CC1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169004402 927607558 /nfs/dbraw/zinc/60/75/58/927607558.db2.gz QXAOMARUNSHTKQ-GHMZBOCLSA-N 1 0 270.329 1.507 20 5 CDBDRO CC[C@H](C)[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)N(C)C ZINC001169004894 927608597 /nfs/dbraw/zinc/60/85/97/927608597.db2.gz RSTKSDBGYOFYCK-LOWDOPEQSA-N 1 0 285.388 1.524 20 5 CDBDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@@H]1O ZINC001169006169 927608698 /nfs/dbraw/zinc/60/86/98/927608698.db2.gz FPLRALPCMXCJGD-LPWJVIDDSA-N 1 0 256.346 1.525 20 5 CDBDRO COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169005924 927609367 /nfs/dbraw/zinc/60/93/67/927609367.db2.gz DHZPEUIQASJJRO-QJPTWQEYSA-N 1 0 270.329 1.317 20 5 CDBDRO CO[C@H]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169006247 927609380 /nfs/dbraw/zinc/60/93/80/927609380.db2.gz WWLISIHMSXSGQB-NDBYEHHHSA-N 1 0 256.346 1.979 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(c3nccs3)CC2)C1 ZINC001169006451 927612561 /nfs/dbraw/zinc/61/25/61/927612561.db2.gz IIAUGQBSLWCTDF-VXGBXAGGSA-N 1 0 296.396 1.711 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCOCC23CCC3)C1 ZINC001169033929 927641407 /nfs/dbraw/zinc/64/14/07/927641407.db2.gz DUHNDWNNMUHZBA-NWDGAFQWSA-N 1 0 254.330 1.687 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](n3cncn3)C2)C1 ZINC001169034197 927642037 /nfs/dbraw/zinc/64/20/37/927642037.db2.gz FXEPGWYDTKJOGP-AGIUHOORSA-N 1 0 279.344 1.360 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(n3ccnc3)CC2)C1 ZINC001169037104 927647036 /nfs/dbraw/zinc/64/70/36/927647036.db2.gz IYSBJBZEUVRDCM-JSGCOSHPSA-N 1 0 278.356 1.965 20 5 CDBDRO COCCCN1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169038465 927649433 /nfs/dbraw/zinc/64/94/33/927649433.db2.gz YXXORFKHLHJEOI-KGLIPLIRSA-N 1 0 285.388 1.086 20 5 CDBDRO C[N@H+](Cc1cncnc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169054253 927672861 /nfs/dbraw/zinc/67/28/61/927672861.db2.gz LIRDDKAGZHTAAV-PWSUYJOCSA-N 1 0 250.302 1.354 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000852814671 927882688 /nfs/dbraw/zinc/88/26/88/927882688.db2.gz NPEQTFCOTRQMPU-NSHDSACASA-N 1 0 285.731 1.862 20 5 CDBDRO CC[N+](C)(C)Cc1ccccc1N[C@@H](C)C(=O)NC ZINC001169984221 928828294 /nfs/dbraw/zinc/82/82/94/928828294.db2.gz QJKLNCVEFUOAFE-LBPRGKRZSA-O 1 0 264.393 1.829 20 5 CDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N(C)C(C)(C)C[NH3+] ZINC001170059249 929235593 /nfs/dbraw/zinc/23/55/93/929235593.db2.gz QTVHNVKPXNGCTJ-UHFFFAOYSA-N 1 0 295.339 1.945 20 5 CDBDRO Cc1nc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC001159489620 930269953 /nfs/dbraw/zinc/26/99/53/930269953.db2.gz PVCYOIAUCGGMER-ONGXEEELSA-N 1 0 266.301 1.087 20 5 CDBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cccc(C)c1[N+](=O)[O-] ZINC001170873823 930558424 /nfs/dbraw/zinc/55/84/24/930558424.db2.gz KLPFWSVTDRISKU-ZYHUDNBSSA-N 1 0 293.323 1.466 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000818001019 930653308 /nfs/dbraw/zinc/65/33/08/930653308.db2.gz FISQHXGNIHFUEE-CYBMUJFWSA-N 1 0 292.339 1.424 20 5 CDBDRO C[C@@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817970798 930653574 /nfs/dbraw/zinc/65/35/74/930653574.db2.gz FIXSVFJBZJDATD-CKYFFXLPSA-N 1 0 278.356 1.968 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000818014883 930673872 /nfs/dbraw/zinc/67/38/72/930673872.db2.gz BLOFKGQKBJXPIP-OAHLLOKOSA-N 1 0 289.335 1.871 20 5 CDBDRO COc1nc(SC)nc(NCC[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC001170889323 930678691 /nfs/dbraw/zinc/67/86/91/930678691.db2.gz NFJFRZDXLLHARE-ZCFIWIBFSA-N 1 0 287.345 1.265 20 5 CDBDRO C[C@H](O)[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886081221 930798639 /nfs/dbraw/zinc/79/86/39/930798639.db2.gz KDFXUSYWZHXIGM-QWRGUYRKSA-N 1 0 265.313 1.583 20 5 CDBDRO C[NH+](C)C[C@@H](O)CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000717402211 930940790 /nfs/dbraw/zinc/94/07/90/930940790.db2.gz QCWFSTBHVGSAJW-VIFPVBQESA-N 1 0 273.720 1.583 20 5 CDBDRO COc1cc(C)nc(NC[C@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC001160148702 931220317 /nfs/dbraw/zinc/22/03/17/931220317.db2.gz VJFJIHKMRUIEHS-SNVBAGLBSA-N 1 0 280.328 1.861 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc([C@H]3C[C@@]34CC[NH2+]C4)n2)o1 ZINC000823269469 931281555 /nfs/dbraw/zinc/28/15/55/931281555.db2.gz HFFZJMWSCBPWCN-JMCQJSRRSA-N 1 0 276.252 1.705 20 5 CDBDRO [NH3+][C@H]1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1F ZINC001246526286 931584479 /nfs/dbraw/zinc/58/44/79/931584479.db2.gz AFMYCBJNJSHOAW-XQQFMLRXSA-N 1 0 265.288 1.043 20 5 CDBDRO C[C@H](CCO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001308722566 931912662 /nfs/dbraw/zinc/91/26/62/931912662.db2.gz LYIPYSXPSNZGLZ-MRVPVSSYSA-N 1 0 264.285 1.332 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H]1CC[NH2+]C1)CC2 ZINC001118198912 937601377 /nfs/dbraw/zinc/60/13/77/937601377.db2.gz ZDNRXZPLABAKKA-LLVKDONJSA-N 1 0 261.325 1.562 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(NC[C@H]2C[NH2+][C@H](C)C2)n1 ZINC001155101476 937635176 /nfs/dbraw/zinc/63/51/76/937635176.db2.gz WZIBDUBQUPHHAZ-VXNVDRBHSA-N 1 0 251.290 1.103 20 5 CDBDRO CCOC(=O)c1ccnc(N[C@@H]2CC[NH2+][C@@H]2C)c1[N+](=O)[O-] ZINC001155188521 937646854 /nfs/dbraw/zinc/64/68/54/937646854.db2.gz LKCUWZFSHXDLLB-PSASIEDQSA-N 1 0 294.311 1.329 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](CO)CC2CC2)cc1 ZINC001120503099 937804723 /nfs/dbraw/zinc/80/47/23/937804723.db2.gz ITEICCVWUNSHMK-WFASDCNBSA-N 1 0 294.351 1.626 20 5 CDBDRO CC1(C)CN(c2cc(F)c([N+](=O)[O-])cc2CO)CC[NH2+]1 ZINC001120874666 937843747 /nfs/dbraw/zinc/84/37/47/937843747.db2.gz MXJUJOJXIZPNLU-UHFFFAOYSA-N 1 0 283.303 1.414 20 5 CDBDRO C[C@@H]1C[C@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])CC[NH2+]1 ZINC001121958586 937894773 /nfs/dbraw/zinc/89/47/73/937894773.db2.gz BESLAGKPTCERED-GHMZBOCLSA-N 1 0 289.335 1.872 20 5 CDBDRO [NH3+][C@H]1CCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C1 ZINC001156224743 938337649 /nfs/dbraw/zinc/33/76/49/938337649.db2.gz ZGJZJEUNBAHWJN-ZETCQYMHSA-N 1 0 292.673 1.726 20 5 CDBDRO [NH3+]Cc1cccn1-c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001156730501 938411263 /nfs/dbraw/zinc/41/12/63/938411263.db2.gz FWYOPDQQJZRWPS-UHFFFAOYSA-N 1 0 268.660 1.131 20 5 CDBDRO Nc1nc(-n2nc(C[NH3+])c3ccccc32)ccc1[N+](=O)[O-] ZINC001156860987 938426955 /nfs/dbraw/zinc/42/69/55/938426955.db2.gz XQXODTKMNCNZDJ-UHFFFAOYSA-N 1 0 284.279 1.370 20 5 CDBDRO Cc1nc(Cl)nc(-n2ccc3c2CC[NH2+]C3)c1[N+](=O)[O-] ZINC001157443277 938492166 /nfs/dbraw/zinc/49/21/66/938492166.db2.gz UJIUCRDLVYHEES-UHFFFAOYSA-N 1 0 293.714 1.783 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCCN1c1ncc([N+](=O)[O-])cc1F ZINC001157745387 938539600 /nfs/dbraw/zinc/53/96/00/938539600.db2.gz ZDYKEUZUMYKVTG-GMSGAONNSA-N 1 0 254.265 1.445 20 5 CDBDRO CCC/C=C\CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157766824 938542880 /nfs/dbraw/zinc/54/28/80/938542880.db2.gz AENHODLSLSSKQX-DIABFLQPSA-N 1 0 283.372 1.494 20 5 CDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001157797489 938547364 /nfs/dbraw/zinc/54/73/64/938547364.db2.gz VAAZOSATZTXVTL-QWRGUYRKSA-N 1 0 279.344 1.857 20 5 CDBDRO CCN(c1ncc(OC)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC001158205165 938595291 /nfs/dbraw/zinc/59/52/91/938595291.db2.gz MGAQIOTWKNAKRM-JTQLQIEISA-N 1 0 280.328 1.577 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[N@@H+]2CC[C@H]2C1 ZINC001158423843 938622277 /nfs/dbraw/zinc/62/22/77/938622277.db2.gz NLKHIAVAJWGHLM-NSHDSACASA-N 1 0 285.307 1.432 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ccnc1NC[C@@H]1COCC[NH2+]1 ZINC001159036845 938694426 /nfs/dbraw/zinc/69/44/26/938694426.db2.gz NWPMHOCPFKZDLI-SSDOTTSWSA-N 1 0 272.692 1.044 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(NC[C@H]2COCC[NH2+]2)nc1Cl ZINC001159042951 938695546 /nfs/dbraw/zinc/69/55/46/938695546.db2.gz MLNWRYYTTBSBAR-QMMMGPOBSA-N 1 0 286.719 1.352 20 5 CDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N(C)C(C)(C)C[NH3+] ZINC001159055185 938698095 /nfs/dbraw/zinc/69/80/95/938698095.db2.gz GUTTXIXPKYPALD-UHFFFAOYSA-N 1 0 296.327 1.340 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC2C[NH+](C)C2)n1 ZINC001159220197 938713541 /nfs/dbraw/zinc/71/35/41/938713541.db2.gz URUBSIZJBJDOMD-UHFFFAOYSA-N 1 0 250.302 1.580 20 5 CDBDRO C[C@@H](Nc1cc(Cl)cc([N+](=O)[O-])n1)[C@@H]1C[NH2+]CCO1 ZINC001159501176 938736309 /nfs/dbraw/zinc/73/63/09/938736309.db2.gz YVUINHGMKKYXCI-APPZFPTMSA-N 1 0 286.719 1.432 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(NC[C@@H]2CCCC[NH2+]2)c1 ZINC001160147913 938771434 /nfs/dbraw/zinc/77/14/34/938771434.db2.gz MFNHOKUEOYEMOT-QMMMGPOBSA-N 1 0 286.719 1.436 20 5 CDBDRO O=[N+]([O-])c1ccnc(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c1 ZINC001160737847 938822553 /nfs/dbraw/zinc/82/25/53/938822553.db2.gz RJCOSWBUNPIIRE-DTWKUNHWSA-N 1 0 290.245 1.942 20 5 CDBDRO COc1nc(NCc2ccccc2C[NH3+])ncc1[N+](=O)[O-] ZINC001160901038 938840707 /nfs/dbraw/zinc/84/07/07/938840707.db2.gz PDJXZJJCSPNNNH-UHFFFAOYSA-N 1 0 289.295 1.464 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001160913171 938842431 /nfs/dbraw/zinc/84/24/31/938842431.db2.gz HVZDVCZZQMPBFP-VIFPVBQESA-N 1 0 283.288 1.683 20 5 CDBDRO Cc1nc(N(CC[NH3+])c2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC001161882787 938939685 /nfs/dbraw/zinc/93/96/85/938939685.db2.gz QBLWYNYZENRMQB-UHFFFAOYSA-N 1 0 291.286 1.929 20 5 CDBDRO C[N@@H+]1CCC[C@@](C)(Nc2cc([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001162331134 939025591 /nfs/dbraw/zinc/02/55/91/939025591.db2.gz LQBXEDXAFAHXOX-GFCCVEGCSA-N 1 0 266.301 1.124 20 5 CDBDRO Cc1nc(N[C@@]2(C)CCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC001162340437 939030020 /nfs/dbraw/zinc/03/00/20/939030020.db2.gz SNJOTPSHEACGPF-LBPRGKRZSA-N 1 0 265.317 1.589 20 5 CDBDRO Cc1c(NC[C@]23C[NH2+]C[C@H]2COC3)cc(F)cc1[N+](=O)[O-] ZINC001163154539 939215421 /nfs/dbraw/zinc/21/54/21/939215421.db2.gz WKFCPNZXOCMGKH-HZMBPMFUSA-N 1 0 295.314 1.690 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])c2c1CCN(C)C2 ZINC001163782995 939330092 /nfs/dbraw/zinc/33/00/92/939330092.db2.gz WFXHFQBIBDVLNC-LLVKDONJSA-N 1 0 292.383 1.945 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2C[C@H](C[NH3+])CC[C@@H]2C)n1 ZINC001164462754 939475971 /nfs/dbraw/zinc/47/59/71/939475971.db2.gz UBFULUKJGVZSEI-WPRPVWTQSA-N 1 0 265.317 1.257 20 5 CDBDRO C[NH+](C)C1(C)CN(c2cc([N+](=O)[O-])cc(Cl)n2)C1 ZINC001165117026 939511927 /nfs/dbraw/zinc/51/19/27/939511927.db2.gz PKPRIIGPKYQYKQ-UHFFFAOYSA-N 1 0 270.720 1.784 20 5 CDBDRO O=[N+]([O-])c1ccc2ncc(N3CC[C@@H]4[NH2+]CC[C@H]43)nc2c1 ZINC001165296475 939542240 /nfs/dbraw/zinc/54/22/40/939542240.db2.gz MELLOPDPRHYWKE-WCQYABFASA-N 1 0 285.307 1.479 20 5 CDBDRO Cc1ncc2n1CCN(c1ccc([N+](=O)[O-])c(N)n1)C2 ZINC001165384869 939554472 /nfs/dbraw/zinc/55/44/72/939554472.db2.gz HRHQIDGKRMNROR-UHFFFAOYSA-N 1 0 274.284 1.097 20 5 CDBDRO Cc1nc(Cl)nc(N2CCC[C@H]3[NH2+]C[C@@H]32)c1[N+](=O)[O-] ZINC001165387313 939555706 /nfs/dbraw/zinc/55/57/06/939555706.db2.gz KEBIDTFIOLMCRB-SFYZADRCSA-N 1 0 283.719 1.287 20 5 CDBDRO N=c1sc2c(n1-c1ncc([N+](=O)[O-])cc1F)CC[NH2+]C2 ZINC001166860140 939645672 /nfs/dbraw/zinc/64/56/72/939645672.db2.gz QUWXQLCXQOMAAL-UHFFFAOYSA-N 1 0 295.299 1.106 20 5 CDBDRO COc1nc(N2CC[C@@H]([NH3+])C(F)(F)C2)ccc1[N+](=O)[O-] ZINC001166962809 939662856 /nfs/dbraw/zinc/66/28/56/939662856.db2.gz YGQXNRYDRSEYFL-MRVPVSSYSA-N 1 0 288.254 1.171 20 5 CDBDRO Cc1cnc(N2C[C@@H](C[NH3+])CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000090692656 940689118 /nfs/dbraw/zinc/68/91/18/940689118.db2.gz PPPAEOYQQFJYFR-WDEREUQCSA-N 1 0 264.329 1.862 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2C[NH2+]C[C@H]2F)n1 ZINC001211407829 940751664 /nfs/dbraw/zinc/75/16/64/940751664.db2.gz ABWZPKIFDHBQBM-NKWVEPMBSA-N 1 0 297.221 1.204 20 5 CDBDRO CCN(c1ncc(F)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000401178737 940864988 /nfs/dbraw/zinc/86/49/88/940864988.db2.gz ZLMAIZAQNQNTCW-SNVBAGLBSA-N 1 0 268.292 1.707 20 5 CDBDRO C[C@@]1([NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000405837311 940998526 /nfs/dbraw/zinc/99/85/26/940998526.db2.gz WBYBFFNUKOPXOF-SNVBAGLBSA-N 1 0 255.299 1.220 20 5 CDBDRO C[C@@]1([NH3+])CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000405832576 940998662 /nfs/dbraw/zinc/99/86/62/940998662.db2.gz UFAOFPSKTSGPSO-SNVBAGLBSA-N 1 0 255.299 1.220 20 5 CDBDRO COC(=O)c1cccc(CO[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001217859657 941024413 /nfs/dbraw/zinc/02/44/13/941024413.db2.gz FOSMUCVGCWZPGH-LLVKDONJSA-N 1 0 294.307 1.650 20 5 CDBDRO O=[N+]([O-])c1ccc(C(F)(F)F)nc1O[C@H]1CC[NH2+]C1 ZINC001218179996 941042232 /nfs/dbraw/zinc/04/22/32/941042232.db2.gz ZPPBLJQVCWMEEX-LURJTMIESA-N 1 0 277.202 1.749 20 5 CDBDRO CCOC(=O)c1ccc(O[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218179911 941042265 /nfs/dbraw/zinc/04/22/65/941042265.db2.gz UPRMULYASOMABI-JTQLQIEISA-N 1 0 280.280 1.512 20 5 CDBDRO Nc1ccc(O[C@H]2C[NH2+]CCC23CC3)cc1[N+](=O)[O-] ZINC001218405042 941213344 /nfs/dbraw/zinc/21/33/44/941213344.db2.gz QLMIPEXJDHGLHF-LBPRGKRZSA-N 1 0 263.297 1.698 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CO[C@H]1CC[N@H+](C)C1 ZINC001223103706 941658373 /nfs/dbraw/zinc/65/83/73/941658373.db2.gz DTLPETGAISUJKQ-LBPRGKRZSA-N 1 0 266.297 1.824 20 5 CDBDRO CC(C)(C)c1cnc(COC(=O)C[C@@H](O)C[N+](C)(C)C)o1 ZINC001223418230 941676071 /nfs/dbraw/zinc/67/60/71/941676071.db2.gz FVXMGFGYIBSCJG-LLVKDONJSA-N 1 0 299.391 1.473 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCc1cccc(N(C)C)n1 ZINC001223511737 941682847 /nfs/dbraw/zinc/68/28/47/941682847.db2.gz GCBORYZQKAWSSM-LBPRGKRZSA-N 1 0 252.382 1.759 20 5 CDBDRO O=[N+]([O-])C[C@H](OCCC[NH+]1CCCC1)c1cccnc1 ZINC001224744634 941788450 /nfs/dbraw/zinc/78/84/50/941788450.db2.gz PCUOCVKBOGDCBU-AWEZNQCLSA-N 1 0 279.340 1.902 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(-n2cnnn2)cc1 ZINC001225484517 941867059 /nfs/dbraw/zinc/86/70/59/941867059.db2.gz JIEZARNZWRGSTK-NSHDSACASA-N 1 0 262.337 1.136 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2c1NC(=O)CO2 ZINC001226637274 942038601 /nfs/dbraw/zinc/03/86/01/942038601.db2.gz NIHNXNUDSGAFMP-SNVBAGLBSA-O 1 0 265.333 1.491 20 5 CDBDRO C[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])nc2)CC1 ZINC001226708809 942053884 /nfs/dbraw/zinc/05/38/84/942053884.db2.gz CVLMCYACTFNGCC-JTQLQIEISA-N 1 0 251.286 1.853 20 5 CDBDRO CC(C)(C)[NH+]1CC(Oc2ncc([N+](=O)[O-])c3[n-]cnc32)C1 ZINC001227693169 942204907 /nfs/dbraw/zinc/20/49/07/942204907.db2.gz MYOSVBRAGLKFAA-UHFFFAOYSA-N 1 0 291.311 1.728 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227990279 942253266 /nfs/dbraw/zinc/25/32/66/942253266.db2.gz IVTZOKWONCELQN-LLVKDONJSA-N 1 0 251.286 1.853 20 5 CDBDRO CCOC(=O)c1cncc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001228557813 942334169 /nfs/dbraw/zinc/33/41/69/942334169.db2.gz CQSOXDFLUXTGEV-NSHDSACASA-N 1 0 267.349 1.732 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2cc(F)cc(F)c2[N+](=O)[O-])C1 ZINC001228609533 942342066 /nfs/dbraw/zinc/34/20/66/942342066.db2.gz DRBRCDNYQIMROZ-MRVPVSSYSA-N 1 0 258.224 1.956 20 5 CDBDRO CC[NH+]1CCC(Oc2ncncc2[N+](=O)[O-])CC1 ZINC001228656448 942348454 /nfs/dbraw/zinc/34/84/54/942348454.db2.gz DXUIHHBPWPSDPG-UHFFFAOYSA-N 1 0 252.274 1.248 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)C1 ZINC001230229007 942592464 /nfs/dbraw/zinc/59/24/64/942592464.db2.gz CIPLVTJBEOWXIW-SECBINFHSA-N 1 0 291.311 1.728 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1nc(=O)[nH]c2c1SCC2 ZINC001230792225 942697557 /nfs/dbraw/zinc/69/75/57/942697557.db2.gz MMUWXRVWRHAKAQ-MRVPVSSYSA-O 1 0 270.378 1.304 20 5 CDBDRO CC(=O)c1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc1F ZINC001230952946 942741402 /nfs/dbraw/zinc/74/14/02/942741402.db2.gz JIRVXSKHGONBQU-LLVKDONJSA-N 1 0 298.334 1.391 20 5 CDBDRO CS[C@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)C[C@@H]1[NH+](C)C ZINC001262688987 943670172 /nfs/dbraw/zinc/67/01/72/943670172.db2.gz KRAALCPVDHWWME-QWRGUYRKSA-N 1 0 297.384 1.054 20 5 CDBDRO Cn1cncc1C1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC001262727449 943683824 /nfs/dbraw/zinc/68/38/24/943683824.db2.gz NKGMNKBNDOPWFQ-UHFFFAOYSA-N 1 0 290.327 1.446 20 5 CDBDRO CCO[C@@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@H]1OC ZINC001262363842 946611347 /nfs/dbraw/zinc/61/13/47/946611347.db2.gz FIWVVZCDZJUVJQ-RBSFLKMASA-N 1 0 294.351 1.919 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C)C1 ZINC001254531652 947507626 /nfs/dbraw/zinc/50/76/26/947507626.db2.gz GFSLOXWMKMGFKR-WCQYABFASA-N 1 0 263.341 1.820 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCNC(=O)C1 ZINC001254533191 947514579 /nfs/dbraw/zinc/51/45/79/947514579.db2.gz XTRKSKFNSPZTDG-RYUDHWBXSA-N 1 0 291.351 1.642 20 5 CDBDRO COC(C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])OC ZINC001254539934 947517720 /nfs/dbraw/zinc/51/77/20/947517720.db2.gz MSRRPRDNCZCGFL-SNVBAGLBSA-N 1 0 268.313 1.734 20 5 CDBDRO CN1CC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254569394 947529829 /nfs/dbraw/zinc/52/98/29/947529829.db2.gz XITBYZJQZUXGBL-STQMWFEESA-N 1 0 261.325 1.356 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cnccn1)C2 ZINC001254573095 947533708 /nfs/dbraw/zinc/53/37/08/947533708.db2.gz WQCFKZYSEILXBY-GFCCVEGCSA-N 1 0 270.292 1.642 20 5 CDBDRO C[C@@H](O)CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254584699 947541007 /nfs/dbraw/zinc/54/10/07/947541007.db2.gz JAMVGZDCVYICQY-BXKDBHETSA-N 1 0 250.298 1.423 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCCC[C@@H](O)C1)C2 ZINC001254595756 947544590 /nfs/dbraw/zinc/54/45/90/947544590.db2.gz ZKEXVTWRYYJOOB-HUUCEWRRSA-N 1 0 276.336 1.909 20 5 CDBDRO CC(=O)N[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605557 947553969 /nfs/dbraw/zinc/55/39/69/947553969.db2.gz BOTRWGFCVGKJCD-HIFRSBDPSA-N 1 0 289.335 1.272 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@H](F)C[C@H]([NH3+])C1 ZINC001246587879 948320102 /nfs/dbraw/zinc/32/01/02/948320102.db2.gz VRDJBOIWDZLJCR-RTXFEEFZSA-N 1 0 281.331 1.897 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001326396160 954359922 /nfs/dbraw/zinc/35/99/22/954359922.db2.gz DPZMQYRQONCSEJ-VHSXEESVSA-N 1 0 292.339 1.636 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001326832918 954580745 /nfs/dbraw/zinc/58/07/45/954580745.db2.gz QINATRQASSHJFP-JTQLQIEISA-N 1 0 295.339 1.260 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001329924018 956180542 /nfs/dbraw/zinc/18/05/42/956180542.db2.gz NWCIUDMUXBQIIA-ZDUSSCGKSA-N 1 0 277.324 1.478 20 5 CDBDRO Cc1nc(NCC[C@@H](C)[NH+](C)C)ncc1[N+](=O)[O-] ZINC001330079934 956266548 /nfs/dbraw/zinc/26/65/48/956266548.db2.gz RZTZXSQWYJETMF-MRVPVSSYSA-N 1 0 253.306 1.445 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)C[NH2+]C ZINC001332155416 957453955 /nfs/dbraw/zinc/45/39/55/957453955.db2.gz CBHYNHYZVHRDSY-SECBINFHSA-N 1 0 280.328 1.222 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH3+] ZINC001332174635 957465246 /nfs/dbraw/zinc/46/52/46/957465246.db2.gz UWZLTLXEPWFBMB-UHFFFAOYSA-N 1 0 266.301 1.104 20 5 CDBDRO C[N@@H+]1CC[C@H](C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001318731408 958250835 /nfs/dbraw/zinc/25/08/35/958250835.db2.gz OOUQTIPGILMZCI-NSHDSACASA-N 1 0 275.308 1.389 20 5 CDBDRO Nc1ccc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC001334670789 959274882 /nfs/dbraw/zinc/27/48/82/959274882.db2.gz XYTFUGRLMXGYFT-YGRLFVJLSA-N 1 0 290.323 1.130 20 5 CDBDRO C[C@H](CNc1cc(N)c([N+](=O)[O-])cn1)C[NH+]1CCCC1 ZINC001336473089 960360309 /nfs/dbraw/zinc/36/03/09/960360309.db2.gz NOYWWHUNTLMIJJ-SNVBAGLBSA-N 1 0 279.344 1.716 20 5 CDBDRO CC(C)[C@H](C[NH2+]CC[N+](=O)[O-])Nc1ccccc1 ZINC001336756998 960552624 /nfs/dbraw/zinc/55/26/24/960552624.db2.gz VUWZSRLKNPGTQT-ZDUSSCGKSA-N 1 0 251.330 1.989 20 5 CDBDRO CO[C@@]1(C)C[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001336849780 960661193 /nfs/dbraw/zinc/66/11/93/960661193.db2.gz XHVSBSQBXWEBEK-BNOWGMLFSA-N 1 0 296.323 1.102 20 5 CDBDRO CC(C)C[N@@H+]1CC[C@H](CNc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001337799700 961431651 /nfs/dbraw/zinc/43/16/51/961431651.db2.gz USWXRQWJKHHETP-LLVKDONJSA-N 1 0 293.371 1.962 20 5 CDBDRO C[C@@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC001339611633 962451672 /nfs/dbraw/zinc/45/16/72/962451672.db2.gz ZTBLBAJKSDZFRV-RKDXNWHRSA-N 1 0 277.328 1.609 20 5 CDBDRO [NH3+]CC[C@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC001341120602 963284072 /nfs/dbraw/zinc/28/40/72/963284072.db2.gz BUGATPWDJSDPIM-RJNRQISESA-N 1 0 289.335 1.805 20 5 CDBDRO CC[NH+](CC)C1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC001342351704 963717469 /nfs/dbraw/zinc/71/74/69/963717469.db2.gz XROUWCLBCHYFSN-UHFFFAOYSA-N 1 0 295.343 1.264 20 5 CDBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001357968984 969673417 /nfs/dbraw/zinc/67/34/17/969673417.db2.gz BIFSAJCOAICCCZ-SCUASFONSA-N 1 0 287.319 1.271 20 5 CDBDRO C[C@]([NH3+])(C(=O)NC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC001576080150 1171327954 /nfs/dbraw/zinc/32/79/54/1171327954.db2.gz DIHRXMFODSXHLO-TZMCWYRMSA-N 1 0 293.323 1.064 20 5 CDBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C[NH2+]C ZINC001577096350 1171600489 /nfs/dbraw/zinc/60/04/89/1171600489.db2.gz LGYKKRQGBIGKGE-WCQYABFASA-N 1 0 293.367 1.888 20 5 CDBDRO CC[NH2+]CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001577834122 1171753071 /nfs/dbraw/zinc/75/30/71/1171753071.db2.gz OMTAGYZHPOFFLA-UHFFFAOYSA-N 1 0 252.274 1.033 20 5 CDBDRO CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001577878523 1171756443 /nfs/dbraw/zinc/75/64/43/1171756443.db2.gz WGODVDSDPUEBCY-ZYHUDNBSSA-N 1 0 263.297 1.400 20 5 CDBDRO CCOC(=O)c1ccnc(N2C[C@H]([NH3+])C[C@H]2C)c1[N+](=O)[O-] ZINC001578060983 1171796891 /nfs/dbraw/zinc/79/68/91/1171796891.db2.gz JBFVUODTHQJRGQ-RKDXNWHRSA-N 1 0 294.311 1.092 20 5 CDBDRO O=[N+]([O-])c1cc(F)c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000586760910 342467042 /nfs/dbraw/zinc/46/70/42/342467042.db2.gz QXRBSPNLGARGQX-IUCAKERBSA-N 1 0 283.278 1.524 20 5 CDBDRO Cc1c[nH]c(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])n1 ZINC000600162229 341981729 /nfs/dbraw/zinc/98/17/29/341981729.db2.gz WIEGIEHJZXZMTP-UHFFFAOYSA-N 1 0 275.312 1.592 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H](O)C2)c1 ZINC000589494220 342507836 /nfs/dbraw/zinc/50/78/36/342507836.db2.gz DRSOTFRIWMFPJB-GFCCVEGCSA-N 1 0 294.307 1.338 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000320796526 341994820 /nfs/dbraw/zinc/99/48/20/341994820.db2.gz GPKADMSRHUOJKA-NKWVEPMBSA-N 1 0 257.315 1.512 20 5 CDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000590402812 342543988 /nfs/dbraw/zinc/54/39/88/342543988.db2.gz GDBZAJFVPVRXGW-FZMZJTMJSA-N 1 0 291.351 1.688 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1COCC[C@H]1O ZINC000601306622 342551313 /nfs/dbraw/zinc/55/13/13/342551313.db2.gz NICJSRQRMJNBCR-OUCADQQQSA-N 1 0 278.308 1.322 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601330604 342554680 /nfs/dbraw/zinc/55/46/80/342554680.db2.gz VFKPSSOTQWCZHY-BETUJISGSA-N 1 0 291.351 1.930 20 5 CDBDRO Cc1cc(N2CC[C@H](C)[C@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000163955147 398217961 /nfs/dbraw/zinc/21/79/61/398217961.db2.gz AWHQUYBVZKSFEB-GXSJLCMTSA-N 1 0 264.329 1.719 20 5 CDBDRO [NH3+]CC[C@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000070170100 361739406 /nfs/dbraw/zinc/73/94/06/361739406.db2.gz IMQISDGVDUEZCX-GFCCVEGCSA-N 1 0 291.351 1.725 20 5 CDBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000070170148 361739609 /nfs/dbraw/zinc/73/96/09/361739609.db2.gz AIJOZCQDSIWZJY-SNVBAGLBSA-N 1 0 295.314 1.935 20 5 CDBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000600311849 342078696 /nfs/dbraw/zinc/07/86/96/342078696.db2.gz RCODRJFLVAXTEL-JTQLQIEISA-N 1 0 280.328 1.385 20 5 CDBDRO O=C1NCCC[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000590971865 342612503 /nfs/dbraw/zinc/61/25/03/342612503.db2.gz RDBSPLULYWZEBD-LLVKDONJSA-N 1 0 263.297 1.211 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591437032 342631819 /nfs/dbraw/zinc/63/18/19/342631819.db2.gz DWWVBPXUGSRWKE-MNOVXSKESA-N 1 0 279.344 1.308 20 5 CDBDRO COc1cccc(N2CC[C@@H]3CC[NH2+][C@H]3C2)c1[N+](=O)[O-] ZINC000591437715 342631927 /nfs/dbraw/zinc/63/19/27/342631927.db2.gz JEWKXBCHVOHADN-QWRGUYRKSA-N 1 0 277.324 1.792 20 5 CDBDRO O=c1c2ccccc2n(CC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000592165179 342671474 /nfs/dbraw/zinc/67/14/74/342671474.db2.gz AXNJZBXTCRVYTK-UHFFFAOYSA-N 1 0 259.265 1.129 20 5 CDBDRO C[C@H](CCO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592431250 342691271 /nfs/dbraw/zinc/69/12/71/342691271.db2.gz ZANFMKQEZDGZCJ-SNVBAGLBSA-N 1 0 281.312 1.284 20 5 CDBDRO CC1(C)C[NH2+]CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000592473611 342698419 /nfs/dbraw/zinc/69/84/19/342698419.db2.gz GDCSSUAWICAUPV-UHFFFAOYSA-N 1 0 279.340 1.657 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@H]3CC[NH2+]C3)C2)nc1 ZINC000592984101 342751303 /nfs/dbraw/zinc/75/13/03/342751303.db2.gz HSDBRALCCPNIEZ-RYUDHWBXSA-N 1 0 291.355 1.086 20 5 CDBDRO C[NH+](C)CCCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593384385 342793063 /nfs/dbraw/zinc/79/30/63/342793063.db2.gz IZKRGBXRRMBAMQ-UHFFFAOYSA-N 1 0 283.303 1.344 20 5 CDBDRO CCN1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1=O ZINC000593686605 342822195 /nfs/dbraw/zinc/82/21/95/342822195.db2.gz JKUSDRJQUJXOIE-VIFPVBQESA-N 1 0 283.353 1.614 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593465530 342803862 /nfs/dbraw/zinc/80/38/62/342803862.db2.gz ODJRPROQIXPKKY-UHFFFAOYSA-N 1 0 297.330 1.733 20 5 CDBDRO CC(C)Oc1nc(NC[C@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000593931499 342852933 /nfs/dbraw/zinc/85/29/33/342852933.db2.gz LYCCNGFDXRHITG-LLVKDONJSA-N 1 0 294.355 1.753 20 5 CDBDRO COc1ccc(C[N@H+](C[C@H](C)O)C2CC2)cc1[N+](=O)[O-] ZINC000594055705 342869410 /nfs/dbraw/zinc/86/94/10/342869410.db2.gz ONGXMOURXQWPLN-JTQLQIEISA-N 1 0 280.324 1.949 20 5 CDBDRO CC[C@@H]([NH2+]C[C@H]1COCCN1)c1cccc([N+](=O)[O-])c1 ZINC000600710970 342243689 /nfs/dbraw/zinc/24/36/89/342243689.db2.gz RCDDCEGLUMLYGK-GXTWGEPZSA-N 1 0 279.340 1.624 20 5 CDBDRO C[C@H](CCO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594496281 342914024 /nfs/dbraw/zinc/91/40/24/342914024.db2.gz YYFKUJLJAFMCOO-SKDRFNHKSA-N 1 0 250.298 1.943 20 5 CDBDRO C[C@H]1C[NH2+]CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000125607455 187193094 /nfs/dbraw/zinc/19/30/94/187193094.db2.gz LILSQMUHOIRZFN-NSHDSACASA-N 1 0 277.324 1.348 20 5 CDBDRO Cn1c(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000125761383 187199237 /nfs/dbraw/zinc/19/92/37/187199237.db2.gz DEGYVBRHUGDKPF-HBNTYKKESA-N 1 0 292.339 1.133 20 5 CDBDRO CC(C)n1ccnc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000594930732 342974862 /nfs/dbraw/zinc/97/48/62/342974862.db2.gz HOYYLAHYMWUNJG-UHFFFAOYSA-N 1 0 278.316 1.359 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@H+](CC)[C@@H](C)C1 ZINC000619486584 349743616 /nfs/dbraw/zinc/74/36/16/349743616.db2.gz GYHWJJDZLGOICR-JTQLQIEISA-N 1 0 281.360 1.650 20 5 CDBDRO Cc1noc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000595484591 343066003 /nfs/dbraw/zinc/06/60/03/343066003.db2.gz RZZCMJHTLKGTOP-FOSCPWQOSA-N 1 0 294.355 1.948 20 5 CDBDRO CC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000076663936 342322937 /nfs/dbraw/zinc/32/29/37/342322937.db2.gz IZNDRSOLOZPVDO-UHFFFAOYSA-N 1 0 250.302 1.440 20 5 CDBDRO CCO[C@@H]1COC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000451931286 362049091 /nfs/dbraw/zinc/04/90/91/362049091.db2.gz BGYYUOCKTISXDR-ZIAGYGMSSA-N 1 0 296.323 1.367 20 5 CDBDRO C[C@H](NC(=O)[C@H]1CCO[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000595926398 343183619 /nfs/dbraw/zinc/18/36/19/343183619.db2.gz DKLZFAHMOQLUET-TVYUQYBPSA-N 1 0 293.323 1.136 20 5 CDBDRO COc1cc(C(=O)N(C)CC(C)(C)[NH3+])ccc1[N+](=O)[O-] ZINC000595941998 343203928 /nfs/dbraw/zinc/20/39/28/343203928.db2.gz FMQFLKITDUOMOA-UHFFFAOYSA-N 1 0 281.312 1.413 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000595982370 343210682 /nfs/dbraw/zinc/21/06/82/343210682.db2.gz JEODLKMCSPRYJV-SECBINFHSA-N 1 0 251.286 1.241 20 5 CDBDRO C[NH+](C)C(C)(C)CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596053256 343221417 /nfs/dbraw/zinc/22/14/17/343221417.db2.gz CBMNMYSVAOEZIJ-UHFFFAOYSA-N 1 0 280.328 1.446 20 5 CDBDRO Cc1n[nH]c(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000265322860 362132232 /nfs/dbraw/zinc/13/22/32/362132232.db2.gz QXHGCVGPSAVOEV-SNVBAGLBSA-N 1 0 295.343 1.040 20 5 CDBDRO NC(=O)c1cccc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000596093033 343234388 /nfs/dbraw/zinc/23/43/88/343234388.db2.gz ZTZBGOLGHVPHAH-VIFPVBQESA-N 1 0 290.323 1.342 20 5 CDBDRO CC[C@H](C[NH+]1CCCC1)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000596131926 343238616 /nfs/dbraw/zinc/23/86/16/343238616.db2.gz GJVRJQGVHXIZDE-SNVBAGLBSA-N 1 0 279.344 1.280 20 5 CDBDRO C[N@@H+]1CCCC12CCN(c1ccc(N)c([N+](=O)[O-])n1)CC2 ZINC000596182904 343250657 /nfs/dbraw/zinc/25/06/57/343250657.db2.gz TZFMVPICDDKAEI-UHFFFAOYSA-N 1 0 291.355 1.637 20 5 CDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ncc([N+](=O)[O-])s1 ZINC000596243858 343285416 /nfs/dbraw/zinc/28/54/16/343285416.db2.gz LNTMVLIPIRHVMK-YUMQZZPRSA-N 1 0 256.331 1.580 20 5 CDBDRO CC(C)(CNc1ccc(N)c([N+](=O)[O-])n1)C[NH+]1CCCC1 ZINC000596207301 343266325 /nfs/dbraw/zinc/26/63/25/343266325.db2.gz RBFYOCRLDSITOI-UHFFFAOYSA-N 1 0 293.371 1.528 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596210519 343267493 /nfs/dbraw/zinc/26/74/93/343267493.db2.gz ZLPPWFJAQMBUMI-JTQLQIEISA-N 1 0 280.328 1.616 20 5 CDBDRO C[C@@H](CCNC(=O)NCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000596211965 343267763 /nfs/dbraw/zinc/26/77/63/343267763.db2.gz ZNFFVRPCKMNEMD-NSHDSACASA-N 1 0 294.355 1.734 20 5 CDBDRO Nc1ccc(NC[C@H]2CCCC[N@@H+]2C2CC2)nc1[N+](=O)[O-] ZINC000596211560 343267842 /nfs/dbraw/zinc/26/78/42/343267842.db2.gz UINUIGYMPONRAZ-LLVKDONJSA-N 1 0 291.355 1.423 20 5 CDBDRO CCc1nn(C)c(NC[C@H](C2CC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000091481879 342404456 /nfs/dbraw/zinc/40/44/56/342404456.db2.gz LQESCFFXVMDGGU-LLVKDONJSA-N 1 0 281.360 1.643 20 5 CDBDRO CCn1c(CC[NH3+])nnc1Sc1ccc([N+](=O)[O-])cc1 ZINC000091485349 342404606 /nfs/dbraw/zinc/40/46/06/342404606.db2.gz PBVKEKZUEIICRQ-UHFFFAOYSA-N 1 0 293.352 1.859 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@H+](CC3CC3)C2)nc1 ZINC000596569687 343344909 /nfs/dbraw/zinc/34/49/09/343344909.db2.gz BXAFWYFCWHCVGF-GFCCVEGCSA-N 1 0 291.355 1.341 20 5 CDBDRO CC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000050990568 342447526 /nfs/dbraw/zinc/44/75/26/342447526.db2.gz XYKIHTDAXMXVEP-UHFFFAOYSA-N 1 0 277.324 1.695 20 5 CDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436979239 362241172 /nfs/dbraw/zinc/24/11/72/362241172.db2.gz LEFGPTAHDYMRFQ-JTQLQIEISA-N 1 0 293.323 1.467 20 5 CDBDRO C[NH+](C)C1(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000597451267 343540991 /nfs/dbraw/zinc/54/09/91/343540991.db2.gz XPHIDPVBIFUASU-UHFFFAOYSA-N 1 0 277.324 1.348 20 5 CDBDRO [NH3+][C@]12CCC[C@@H]1CN(CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000598682864 343864223 /nfs/dbraw/zinc/86/42/23/343864223.db2.gz POIYGBWWYNCEMJ-DOMZBBRYSA-N 1 0 291.351 1.787 20 5 CDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1csc([N+](=O)[O-])c1)C2 ZINC000598669654 343872324 /nfs/dbraw/zinc/87/23/24/343872324.db2.gz LNVMBYDLMZWLSF-JOYOIKCWSA-N 1 0 281.337 1.610 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915165 343919633 /nfs/dbraw/zinc/91/96/33/343919633.db2.gz JCICPTCOTHYOKE-SSDOTTSWSA-N 1 0 270.264 1.545 20 5 CDBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCOC[C@H]2O)cccc1[N+](=O)[O-] ZINC000599081575 343957107 /nfs/dbraw/zinc/95/71/07/343957107.db2.gz PFMOTDGKZSZMCO-ZKYQVNSYSA-N 1 0 280.324 1.704 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601974119 344301361 /nfs/dbraw/zinc/30/13/61/344301361.db2.gz OMPNXHSJPLBGBS-AOOOYVTPSA-N 1 0 266.272 1.812 20 5 CDBDRO COc1ccc(CC(=O)N2C[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000602596622 344502522 /nfs/dbraw/zinc/50/25/22/344502522.db2.gz QOOHKPASZYMOBD-MWLCHTKSSA-N 1 0 293.323 1.094 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000602598018 344503708 /nfs/dbraw/zinc/50/37/08/344503708.db2.gz XYNLWNAXTIDAKB-RNFRBKRXSA-N 1 0 255.299 1.218 20 5 CDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1c(F)cccc1[N+](=O)[O-])C2 ZINC000602530140 344455676 /nfs/dbraw/zinc/45/56/76/344455676.db2.gz PAOBWWIIQJGQPT-OTYXRUKQSA-N 1 0 293.298 1.687 20 5 CDBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000602531677 344456043 /nfs/dbraw/zinc/45/60/43/344456043.db2.gz WOONUBOJTGJWHX-CYBMUJFWSA-N 1 0 295.314 1.804 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCOC[C@H]2CCCO2)cc1 ZINC000602546702 344463085 /nfs/dbraw/zinc/46/30/85/344463085.db2.gz KLHCSOPNRKXLHV-OAHLLOKOSA-N 1 0 294.351 1.923 20 5 CDBDRO CCN(CC[NH3+])C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000602535733 344470775 /nfs/dbraw/zinc/47/07/75/344470775.db2.gz QWXODKMRYWGVEA-UHFFFAOYSA-N 1 0 265.313 1.335 20 5 CDBDRO C[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CS1 ZINC000602567413 344483792 /nfs/dbraw/zinc/48/37/92/344483792.db2.gz DFXQBQHYYKFIEK-BDAKNGLRSA-N 1 0 256.331 1.275 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CO)CC(F)F)cc1 ZINC000602636484 344510254 /nfs/dbraw/zinc/51/02/54/344510254.db2.gz IMIZVIQOMWZACK-SNVBAGLBSA-N 1 0 274.267 1.743 20 5 CDBDRO CO[C@@]1(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000602658094 344518823 /nfs/dbraw/zinc/51/88/23/344518823.db2.gz JBJCZHYCUKWRQO-OAHLLOKOSA-N 1 0 294.351 1.875 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000602778186 344594058 /nfs/dbraw/zinc/59/40/58/344594058.db2.gz CPUYDRGINIJOHW-UWVGGRQHSA-N 1 0 284.385 1.926 20 5 CDBDRO CO[C@@]1(C)CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602823198 344610394 /nfs/dbraw/zinc/61/03/94/344610394.db2.gz ZOPBAMUJZCKIML-AWEZNQCLSA-N 1 0 296.371 1.991 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CCO)C(C)C ZINC000602806426 344615250 /nfs/dbraw/zinc/61/52/50/344615250.db2.gz TVARAISTUMDOQE-NSHDSACASA-N 1 0 270.333 1.096 20 5 CDBDRO CCO[C@@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602842179 344622208 /nfs/dbraw/zinc/62/22/08/344622208.db2.gz QQQBVYIJACCKCD-WCQYABFASA-N 1 0 296.371 1.847 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](CCO)CC1 ZINC000602846134 344624130 /nfs/dbraw/zinc/62/41/30/344624130.db2.gz NAOBDKCAUBJWBA-ZDUSSCGKSA-N 1 0 296.371 1.584 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](C)OC2(CCC2)C1 ZINC000602848660 344625659 /nfs/dbraw/zinc/62/56/59/344625659.db2.gz FDQJVCVBXZOLCM-NSHDSACASA-N 1 0 294.355 1.743 20 5 CDBDRO COCCC1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602915210 344648020 /nfs/dbraw/zinc/64/80/20/344648020.db2.gz HWOPAMBRIWDOMK-UHFFFAOYSA-N 1 0 296.371 1.848 20 5 CDBDRO CC[NH2+]Cc1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603220353 344747690 /nfs/dbraw/zinc/74/76/90/344747690.db2.gz TWHHFAXPWGNGEZ-SNVBAGLBSA-N 1 0 275.312 1.905 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)n1cc(CC[NH3+])nn1 ZINC000603252606 344752639 /nfs/dbraw/zinc/75/26/39/344752639.db2.gz VZDHFFAYRKEFGE-SNVBAGLBSA-N 1 0 275.312 1.605 20 5 CDBDRO O=[N+]([O-])c1ccccc1NC[C@H]1CSCC[NH2+]1 ZINC000603419335 344807749 /nfs/dbraw/zinc/80/77/49/344807749.db2.gz LZTCEVVFICSVKL-VIFPVBQESA-N 1 0 253.327 1.712 20 5 CDBDRO Cc1c(C(=O)N[C@@](C)(C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000127275942 187293787 /nfs/dbraw/zinc/29/37/87/187293787.db2.gz WZGNWSQRCXOXFR-AWEZNQCLSA-N 1 0 277.324 1.760 20 5 CDBDRO [NH3+][C@@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000050244215 344996075 /nfs/dbraw/zinc/99/60/75/344996075.db2.gz NCBLYAWTOLLQQU-MRVPVSSYSA-N 1 0 286.129 1.895 20 5 CDBDRO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293251548 362535717 /nfs/dbraw/zinc/53/57/17/362535717.db2.gz BORWXQBLYGSCGS-IUCAKERBSA-N 1 0 280.328 1.352 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCOCC[NH+](C)C ZINC000538653236 282416315 /nfs/dbraw/zinc/41/63/15/282416315.db2.gz OOHCWLNRBPKSSR-UHFFFAOYSA-N 1 0 295.339 1.211 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@]1(OC)CCOC1 ZINC000160313008 345796523 /nfs/dbraw/zinc/79/65/23/345796523.db2.gz SZPWHMMNEWSTSE-CQSZACIVSA-N 1 0 296.323 1.499 20 5 CDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000609664492 345987870 /nfs/dbraw/zinc/98/78/70/345987870.db2.gz KGGIDIJANHJJOP-LLVKDONJSA-N 1 0 294.355 1.347 20 5 CDBDRO C[C@@H]([N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000610335772 346255288 /nfs/dbraw/zinc/25/52/88/346255288.db2.gz GZNHPLGTOXPUEF-ZYHUDNBSSA-N 1 0 284.360 1.519 20 5 CDBDRO COC1CC[NH+](CCNc2cccnc2[N+](=O)[O-])CC1 ZINC000610573626 346316709 /nfs/dbraw/zinc/31/67/09/346316709.db2.gz BETMWVFNXPPRTL-UHFFFAOYSA-N 1 0 280.328 1.513 20 5 CDBDRO O=[N+]([O-])c1cccnc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037404458 346353815 /nfs/dbraw/zinc/35/38/15/346353815.db2.gz PKEKQNRBTNVMOJ-JTQLQIEISA-N 1 0 262.313 1.886 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000584712090 346411355 /nfs/dbraw/zinc/41/13/55/346411355.db2.gz CBFPWPGYVFURES-WDEREUQCSA-N 1 0 294.330 1.955 20 5 CDBDRO Cc1cc(C(=O)NCC2([NH3+])CCC2)cc([N+](=O)[O-])c1 ZINC000230064398 140207286 /nfs/dbraw/zinc/20/72/86/140207286.db2.gz RIXQZSQALIGDAD-UHFFFAOYSA-N 1 0 263.297 1.514 20 5 CDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000122401992 347641228 /nfs/dbraw/zinc/64/12/28/347641228.db2.gz PXMMSWBWACFEEV-SNVBAGLBSA-N 1 0 299.352 1.015 20 5 CDBDRO CC[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000122514218 347652093 /nfs/dbraw/zinc/65/20/93/347652093.db2.gz FTQQGZMYVOFILI-JSGCOSHPSA-N 1 0 291.351 1.723 20 5 CDBDRO CC1(C)C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000618952218 348174389 /nfs/dbraw/zinc/17/43/89/348174389.db2.gz YVMLBCDSGDNWKH-NSHDSACASA-N 1 0 280.324 1.676 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000614711354 348199450 /nfs/dbraw/zinc/19/94/50/348199450.db2.gz KSXTXNRREYINQD-CHWSQXEVSA-N 1 0 277.324 1.807 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000089091276 179699022 /nfs/dbraw/zinc/69/90/22/179699022.db2.gz LUXPDHBCMOWKHS-VQSVOGCMSA-N 1 0 289.335 1.852 20 5 CDBDRO C[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000068201946 349054728 /nfs/dbraw/zinc/05/47/28/349054728.db2.gz ADHUVFPUJFGGHD-SNVBAGLBSA-N 1 0 280.328 1.073 20 5 CDBDRO CN1CCO[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000105471991 186059220 /nfs/dbraw/zinc/05/92/20/186059220.db2.gz GILACSWPMDAEFO-CYBMUJFWSA-N 1 0 265.313 1.015 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCSCCCO)cc1 ZINC000105643806 186067110 /nfs/dbraw/zinc/06/71/10/186067110.db2.gz NFJJEAUMYZAMJB-UHFFFAOYSA-N 1 0 270.354 1.800 20 5 CDBDRO CCOc1cc(OC[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000111054868 350381265 /nfs/dbraw/zinc/38/12/65/350381265.db2.gz FVAVARUJCYGIEH-SNVBAGLBSA-N 1 0 266.297 1.982 20 5 CDBDRO COC[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365119909 522599099 /nfs/dbraw/zinc/59/90/99/522599099.db2.gz DVZORELNQYJMAV-JTQLQIEISA-N 1 0 268.317 1.463 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000111010405 186342943 /nfs/dbraw/zinc/34/29/43/186342943.db2.gz YKRVMKYHRVUIBX-SECBINFHSA-N 1 0 297.742 1.930 20 5 CDBDRO CCC[NH+]1CCC(Nc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000312540564 350783938 /nfs/dbraw/zinc/78/39/38/350783938.db2.gz QQQWLCDOANRHQL-UHFFFAOYSA-N 1 0 279.344 1.858 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000167254813 363083803 /nfs/dbraw/zinc/08/38/03/363083803.db2.gz KIEPOCVNMIFFGV-SECBINFHSA-N 1 0 292.339 1.842 20 5 CDBDRO C[C@@H](CCCC[NH3+])NC(=O)c1csc([N+](=O)[O-])c1 ZINC000291696853 198061606 /nfs/dbraw/zinc/06/16/06/198061606.db2.gz AJHZOYSYQZGXAT-QMMMGPOBSA-N 1 0 271.342 1.904 20 5 CDBDRO Cc1nc(NCC[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000124122694 187123507 /nfs/dbraw/zinc/12/35/07/187123507.db2.gz BCVJCEWIIGXMIL-SNVBAGLBSA-N 1 0 250.302 1.710 20 5 CDBDRO CC[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000165981627 358472595 /nfs/dbraw/zinc/47/25/95/358472595.db2.gz ZXYUHDUFXFADNO-TVQRCGJNSA-N 1 0 295.314 1.933 20 5 CDBDRO C[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000292239664 198213906 /nfs/dbraw/zinc/21/39/06/198213906.db2.gz CXNWOFJKASJTHU-LLVKDONJSA-N 1 0 279.340 1.451 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H](O)C2)c1 ZINC000152289804 188007266 /nfs/dbraw/zinc/00/72/66/188007266.db2.gz IAFAFZLAAJNCQA-LLVKDONJSA-N 1 0 252.270 1.040 20 5 CDBDRO COc1cc(C(=O)N[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000156676490 188276263 /nfs/dbraw/zinc/27/62/63/188276263.db2.gz QMTCSFLRWFHVIC-SNVBAGLBSA-N 1 0 279.296 1.085 20 5 CDBDRO NC(=O)[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000157095487 188297308 /nfs/dbraw/zinc/29/73/08/188297308.db2.gz ZJUAJZMGLHMWRK-OGOUPESXSA-N 1 0 275.308 1.415 20 5 CDBDRO CC(C)C[C@H]([NH3+])C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000236686067 363366204 /nfs/dbraw/zinc/36/62/04/363366204.db2.gz HTAAOWGQBCLTCG-NSHDSACASA-N 1 0 294.355 1.496 20 5 CDBDRO O=[N+]([O-])c1cc(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cs1 ZINC000112839404 366160211 /nfs/dbraw/zinc/16/02/11/366160211.db2.gz QEZJHSUECBHFMO-VXGBXAGGSA-N 1 0 297.380 1.609 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000408468115 283083607 /nfs/dbraw/zinc/08/36/07/283083607.db2.gz PZSXKTKWARAPPE-MFKMUULPSA-N 1 0 275.308 1.371 20 5 CDBDRO Cc1nc(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC000577833974 356065330 /nfs/dbraw/zinc/06/53/30/356065330.db2.gz ZBZONIHICZVULD-RYUDHWBXSA-N 1 0 291.355 1.519 20 5 CDBDRO CC[C@@H]([NH2+][C@H](CO)COC)c1cccc([N+](=O)[O-])c1 ZINC000233899616 356414784 /nfs/dbraw/zinc/41/47/84/356414784.db2.gz GTRQTUVPCDAPDC-DGCLKSJQSA-N 1 0 268.313 1.643 20 5 CDBDRO CCc1ccc(C(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000175598112 356645902 /nfs/dbraw/zinc/64/59/02/356645902.db2.gz KQVPXYVPEJSPEJ-UHFFFAOYSA-N 1 0 265.313 1.449 20 5 CDBDRO [NH3+][C@@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000379677079 357213819 /nfs/dbraw/zinc/21/38/19/357213819.db2.gz MRTCWNFUHCWJMR-SYAFZNNESA-N 1 0 275.308 1.462 20 5 CDBDRO CC[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000247263466 357268011 /nfs/dbraw/zinc/26/80/11/357268011.db2.gz FKNWMUAMVGUMCR-GXTWGEPZSA-N 1 0 296.371 1.664 20 5 CDBDRO CCOc1cccc(NC[C@@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC000135060183 357314793 /nfs/dbraw/zinc/31/47/93/357314793.db2.gz LOIXLOQSSLHYAB-JTQLQIEISA-N 1 0 281.312 1.394 20 5 CDBDRO CCc1ccc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000261902084 357340209 /nfs/dbraw/zinc/34/02/09/357340209.db2.gz WTPRYMPAOIJMFK-MNOVXSKESA-N 1 0 291.351 1.967 20 5 CDBDRO Cc1nc[nH]c1CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000380198569 357366144 /nfs/dbraw/zinc/36/61/44/357366144.db2.gz DPEODINAXISSAF-UHFFFAOYSA-N 1 0 274.280 1.865 20 5 CDBDRO C[C@@]1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000062858957 357499386 /nfs/dbraw/zinc/49/93/86/357499386.db2.gz IWLAABDLFHEHHG-OAHLLOKOSA-N 1 0 291.351 1.643 20 5 CDBDRO Cc1cnn(C)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000286582587 357475524 /nfs/dbraw/zinc/47/55/24/357475524.db2.gz QGMZWECLAXIMJN-UHFFFAOYSA-N 1 0 274.324 1.969 20 5 CDBDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000185776808 357575587 /nfs/dbraw/zinc/57/55/87/357575587.db2.gz UHOQBVYJSWBMNE-LBPRGKRZSA-N 1 0 293.323 1.915 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000135212445 357770460 /nfs/dbraw/zinc/77/04/60/357770460.db2.gz PWKFMZBRIKNAHE-GFCCVEGCSA-N 1 0 291.351 1.975 20 5 CDBDRO C[C@H]1CCCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000187934111 357825059 /nfs/dbraw/zinc/82/50/59/357825059.db2.gz ROJULCKEBLJALH-NSHDSACASA-N 1 0 252.318 1.913 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CC(C)(C)[NH3+] ZINC000084181573 357874614 /nfs/dbraw/zinc/87/46/14/357874614.db2.gz MAUDZNBKINNODW-UHFFFAOYSA-N 1 0 265.313 1.681 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)cs1 ZINC000188816051 357940853 /nfs/dbraw/zinc/94/08/53/357940853.db2.gz IIYPIHWPNOQMCF-PSASIEDQSA-N 1 0 256.327 1.907 20 5 CDBDRO CC[NH+](CC)CC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000337611729 358092416 /nfs/dbraw/zinc/09/24/16/358092416.db2.gz VMCQBDXCYGMIBS-UHFFFAOYSA-N 1 0 279.340 1.861 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c(F)c1 ZINC000337528448 358078721 /nfs/dbraw/zinc/07/87/21/358078721.db2.gz ZBHXXNASEIONHN-SMDDNHRTSA-N 1 0 279.315 1.918 20 5 CDBDRO CN(CCCN1CC[NH+](C)CC1)c1ncc([N+](=O)[O-])s1 ZINC000192452991 358204197 /nfs/dbraw/zinc/20/41/97/358204197.db2.gz ZXBZBJKBVWKODI-UHFFFAOYSA-N 1 0 299.400 1.125 20 5 CDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC(C)(C)C1 ZINC000361472402 358219808 /nfs/dbraw/zinc/21/98/08/358219808.db2.gz XFUSYYLTHBIMRD-WCQYABFASA-N 1 0 296.371 1.663 20 5 CDBDRO CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000294810293 199193463 /nfs/dbraw/zinc/19/34/63/199193463.db2.gz JKVOUTPHLHVAET-UHFFFAOYSA-N 1 0 277.324 1.476 20 5 CDBDRO Cc1ccc(OC[C@@H](O)C[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000290780868 358423347 /nfs/dbraw/zinc/42/33/47/358423347.db2.gz MYVXNZQMGAULTL-LBPRGKRZSA-N 1 0 280.324 1.737 20 5 CDBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000567576081 358702683 /nfs/dbraw/zinc/70/26/83/358702683.db2.gz UTCQEHFLJQRUEM-NEPJUHHUSA-N 1 0 293.323 1.282 20 5 CDBDRO CCNC(=O)[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567486958 358688403 /nfs/dbraw/zinc/68/84/03/358688403.db2.gz ZEJJNUAPYVKMMN-CABZTGNLSA-N 1 0 277.324 1.696 20 5 CDBDRO COc1ccc(CN2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000051562685 358899539 /nfs/dbraw/zinc/89/95/39/358899539.db2.gz ZIZZHIKIQATBKQ-SNVBAGLBSA-N 1 0 279.296 1.053 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(CO)COC1 ZINC000539053797 358942565 /nfs/dbraw/zinc/94/25/65/358942565.db2.gz HBBKIAWWJIPKNC-LLVKDONJSA-N 1 0 280.324 1.563 20 5 CDBDRO O=C(NCc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000050015900 359276119 /nfs/dbraw/zinc/27/61/19/359276119.db2.gz RPLMCKYTBGNSDW-UHFFFAOYSA-N 1 0 263.297 1.211 20 5 CDBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000339625761 359419660 /nfs/dbraw/zinc/41/96/60/359419660.db2.gz CGXKWVXSHVNAOD-LLVKDONJSA-N 1 0 252.314 1.840 20 5 CDBDRO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H](C)CO ZINC000339631131 359420595 /nfs/dbraw/zinc/42/05/95/359420595.db2.gz SQBSOYZYURCWCS-NSHDSACASA-N 1 0 295.339 1.544 20 5 CDBDRO CC(C)c1ccc(C[NH2+]C[C@@H](O)CO)cc1[N+](=O)[O-] ZINC000347499022 359398802 /nfs/dbraw/zinc/39/88/02/359398802.db2.gz GBQLWYXALBHODI-LLVKDONJSA-N 1 0 268.313 1.161 20 5 CDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[NH2+]C1 ZINC000289663996 359661697 /nfs/dbraw/zinc/66/16/97/359661697.db2.gz CYFGCCKWCJIPHL-MRVPVSSYSA-N 1 0 289.295 1.409 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000571937276 359681786 /nfs/dbraw/zinc/68/17/86/359681786.db2.gz QPMOIJUNJLCNIU-RYUDHWBXSA-N 1 0 279.340 1.785 20 5 CDBDRO CCc1ccc(C(=O)N[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000274463436 359833094 /nfs/dbraw/zinc/83/30/94/359833094.db2.gz VSZFDDVUKMZHCK-MRVPVSSYSA-N 1 0 251.286 1.234 20 5 CDBDRO CC(C)[C@@](C)([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000297674408 200259183 /nfs/dbraw/zinc/25/91/83/200259183.db2.gz OUOKOKZRAPHRSN-GXTWGEPZSA-N 1 0 295.339 1.118 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000063192916 360082609 /nfs/dbraw/zinc/08/26/09/360082609.db2.gz FEPJIHBSDLHYFP-KWQFWETISA-N 1 0 266.301 1.265 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235666340 360238810 /nfs/dbraw/zinc/23/88/10/360238810.db2.gz JNJKNGLWAKQCJH-JQWIXIFHSA-N 1 0 277.324 1.394 20 5 CDBDRO O=c1c([N+](=O)[O-])cc(Cl)cn1CCC1CC[NH2+]CC1 ZINC000566183202 316504567 /nfs/dbraw/zinc/50/45/67/316504567.db2.gz BWOLRPXBKSNCAB-UHFFFAOYSA-N 1 0 285.731 1.800 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(c2nc(C)ccc2[N+](=O)[O-])C1 ZINC000162859926 360574353 /nfs/dbraw/zinc/57/43/53/360574353.db2.gz MSPRUWHZKRBLCG-JTQLQIEISA-N 1 0 250.302 1.344 20 5 CDBDRO Cc1sc(C(=O)NCC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000178665119 189135638 /nfs/dbraw/zinc/13/56/38/189135638.db2.gz PUKBGHIJDYWPMV-LURJTMIESA-N 1 0 257.315 1.432 20 5 CDBDRO C[C@@H]([NH3+])CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000178665324 189135659 /nfs/dbraw/zinc/13/56/59/189135659.db2.gz HMNTXBDYNIWIEL-SNVBAGLBSA-N 1 0 281.312 1.217 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[NH2+]1 ZINC000178724066 189140424 /nfs/dbraw/zinc/14/04/24/189140424.db2.gz AQTQMNBHBIKIQF-GFCCVEGCSA-N 1 0 277.324 1.396 20 5 CDBDRO CSc1ccc(C(=O)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000178765447 189144173 /nfs/dbraw/zinc/14/41/73/189144173.db2.gz RGJAHJNYUUFOFA-SNVBAGLBSA-N 1 0 295.364 1.799 20 5 CDBDRO CCc1ccc(C(=O)NC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000178782215 189145729 /nfs/dbraw/zinc/14/57/29/189145729.db2.gz KAWRAVPQTVGRCD-LBPRGKRZSA-N 1 0 277.324 1.639 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000148772336 283586427 /nfs/dbraw/zinc/58/64/27/283586427.db2.gz OEEIUGQOPIIIAP-VIFPVBQESA-N 1 0 251.286 1.180 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000178962553 189158004 /nfs/dbraw/zinc/15/80/04/189158004.db2.gz JJHAEHZVVDXDJZ-NSHDSACASA-N 1 0 293.323 1.042 20 5 CDBDRO [NH3+][C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000129213659 283618621 /nfs/dbraw/zinc/61/86/21/283618621.db2.gz HMDORSIQMRKCOD-SNVBAGLBSA-N 1 0 283.715 1.715 20 5 CDBDRO CSc1ccc(C(=O)N2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000160312090 361409289 /nfs/dbraw/zinc/40/92/89/361409289.db2.gz BPUPWTIQQDLNBH-JTQLQIEISA-N 1 0 295.364 1.880 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](CO)c2ccc(F)cc2)n1 ZINC000273125021 239045352 /nfs/dbraw/zinc/04/53/52/239045352.db2.gz QECLBJFYWOYYID-LBPRGKRZSA-N 1 0 294.286 1.254 20 5 CDBDRO C[C@H](CCCC[NH3+])NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000293438547 239278466 /nfs/dbraw/zinc/27/84/66/239278466.db2.gz OTAYJWIHENZXPW-LLVKDONJSA-N 1 0 295.339 1.607 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000302169555 201378875 /nfs/dbraw/zinc/37/88/75/201378875.db2.gz TXFQJSJHKKUGSL-NXEZZACHSA-N 1 0 265.317 1.670 20 5 CDBDRO Cc1c(C[N@H+]2C[C@H](O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000340906217 363865442 /nfs/dbraw/zinc/86/54/42/363865442.db2.gz ATWWYIPGBKZWSV-BXKDBHETSA-N 1 0 250.298 1.858 20 5 CDBDRO C[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[NH+](C)C ZINC000037985588 363961468 /nfs/dbraw/zinc/96/14/68/363961468.db2.gz KSBXLAWILWNWMG-QMMMGPOBSA-N 1 0 285.731 1.928 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000088147689 364259387 /nfs/dbraw/zinc/25/93/87/364259387.db2.gz IFRMSYXBAQQFGH-LLVKDONJSA-N 1 0 277.324 1.633 20 5 CDBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000268188904 364436842 /nfs/dbraw/zinc/43/68/42/364436842.db2.gz RYAZWFCAHGDRPA-VIFPVBQESA-N 1 0 283.353 1.823 20 5 CDBDRO CCNC(=O)[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000035011998 364615681 /nfs/dbraw/zinc/61/56/81/364615681.db2.gz SMNCVLWQCXMUBS-JTQLQIEISA-N 1 0 265.313 1.517 20 5 CDBDRO O=C(NCC[NH+]1CCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412205899 240084712 /nfs/dbraw/zinc/08/47/12/240084712.db2.gz KMHUPCKSBDDRPV-UONOGXRCSA-N 1 0 289.335 1.520 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000152915746 367003237 /nfs/dbraw/zinc/00/32/37/367003237.db2.gz FTTAZMBHGYOOTK-YPMHNXCESA-N 1 0 280.328 1.292 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000414712796 241346201 /nfs/dbraw/zinc/34/62/01/241346201.db2.gz UGVIJCUGFGYXAM-SECBINFHSA-N 1 0 280.328 1.880 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090321420 367031093 /nfs/dbraw/zinc/03/10/93/367031093.db2.gz HGWZEOKJMLQMFR-PHIMTYICSA-N 1 0 275.308 1.195 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)C[NH3+] ZINC000415292689 241637546 /nfs/dbraw/zinc/63/75/46/241637546.db2.gz HUVILEARWUIDNW-MRVPVSSYSA-N 1 0 266.301 1.680 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000161144544 367297673 /nfs/dbraw/zinc/29/76/73/367297673.db2.gz JKFXPBWCENIVOP-QWRGUYRKSA-N 1 0 293.323 1.360 20 5 CDBDRO CC1(O)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161194165 367574310 /nfs/dbraw/zinc/57/43/10/367574310.db2.gz AOHVUKZKMJZUCN-UHFFFAOYSA-N 1 0 250.298 1.942 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000456159603 252416253 /nfs/dbraw/zinc/41/62/53/252416253.db2.gz FPWWMJLJYRRRKF-OCCSQVGLSA-N 1 0 289.335 1.300 20 5 CDBDRO COc1cc(C[NH2+][C@@H]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1O ZINC000330612971 203037616 /nfs/dbraw/zinc/03/76/16/203037616.db2.gz YJXUDBRAFWYUMP-MWLCHTKSSA-N 1 0 296.323 1.966 20 5 CDBDRO [NH3+][C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420290498 244034563 /nfs/dbraw/zinc/03/45/63/244034563.db2.gz JLFTUAOHHXPSED-QMMMGPOBSA-N 1 0 298.730 1.220 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN1C[C@H]([NH3+])Cc2ccccc21 ZINC000420410223 244211459 /nfs/dbraw/zinc/21/14/59/244211459.db2.gz WOBQXDPVESHEHM-LLVKDONJSA-N 1 0 287.323 1.218 20 5 CDBDRO Cc1ccc([C@H](C)NC[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000330870408 203335140 /nfs/dbraw/zinc/33/51/40/203335140.db2.gz FTDDNISZJAMOJE-SWLSCSKDSA-N 1 0 293.367 1.620 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC([NH+](C)C)C1 ZINC000276414819 193321438 /nfs/dbraw/zinc/32/14/38/193321438.db2.gz MWJFLBADVDCYCV-UHFFFAOYSA-N 1 0 292.339 1.989 20 5 CDBDRO CC(C)[NH2+]CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668507 369784879 /nfs/dbraw/zinc/78/48/79/369784879.db2.gz NLDHREVBUIPAET-UHFFFAOYSA-N 1 0 251.286 1.209 20 5 CDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000389724620 370092341 /nfs/dbraw/zinc/09/23/41/370092341.db2.gz PHPXMLBTMALARD-GFCCVEGCSA-N 1 0 295.314 1.852 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCCC[NH+](C)C ZINC000277057843 193543900 /nfs/dbraw/zinc/54/39/00/193543900.db2.gz JQNCFMNKCRCLLZ-UHFFFAOYSA-N 1 0 281.312 1.285 20 5 CDBDRO Cc1cc(Cl)c(C(=O)N2CC([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000295564601 370489020 /nfs/dbraw/zinc/48/90/20/370489020.db2.gz QQEZTFQRMXPYHY-UHFFFAOYSA-N 1 0 297.742 1.943 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](C)C[NH3+] ZINC000414954544 371018910 /nfs/dbraw/zinc/01/89/10/371018910.db2.gz NFXVROOQQJVVKH-VIFPVBQESA-N 1 0 253.302 1.430 20 5 CDBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001580331843 1172405582 /nfs/dbraw/zinc/40/55/82/1172405582.db2.gz PICXPADVUSDWJL-MGCOHNPYSA-N 1 0 292.339 1.424 20 5 CDBDRO C[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414958363 371171850 /nfs/dbraw/zinc/17/18/50/371171850.db2.gz WPWJIIVUJKFVQG-WPRPVWTQSA-N 1 0 255.343 1.886 20 5 CDBDRO Cc1n[nH]c(C(=O)NC[C@@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000332269178 204563858 /nfs/dbraw/zinc/56/38/58/204563858.db2.gz BZACOVXYCZZXIW-SECBINFHSA-N 1 0 295.343 1.088 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(CO)CC2)c1 ZINC000269631492 373197082 /nfs/dbraw/zinc/19/70/82/373197082.db2.gz FPZDQOHITRYZMA-CQSZACIVSA-N 1 0 280.324 1.333 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000189311820 373279742 /nfs/dbraw/zinc/27/97/42/373279742.db2.gz OWDXCDGOOHMMHW-CBAPKCEASA-N 1 0 269.326 1.527 20 5 CDBDRO CC[N@@H+]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269678766 373687245 /nfs/dbraw/zinc/68/72/45/373687245.db2.gz QHBQSKIFJJAEEO-OAHLLOKOSA-N 1 0 293.367 1.656 20 5 CDBDRO CC(C)[NH2+]CCC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668515 374027584 /nfs/dbraw/zinc/02/75/84/374027584.db2.gz BLVSMSDJKLVQAH-UHFFFAOYSA-N 1 0 265.313 1.599 20 5 CDBDRO CCc1nn(C)c(NCC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000091559423 374038472 /nfs/dbraw/zinc/03/84/72/374038472.db2.gz DRZWBKLTGOIUHI-UHFFFAOYSA-N 1 0 283.376 1.890 20 5 CDBDRO NC(=O)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065208332 374256851 /nfs/dbraw/zinc/25/68/51/374256851.db2.gz YTJVFMVHRIALKX-UHFFFAOYSA-N 1 0 293.323 1.171 20 5 CDBDRO CC(=O)N[C@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000420958850 374307433 /nfs/dbraw/zinc/30/74/33/374307433.db2.gz POJHGOBDLDCDDP-NSHDSACASA-N 1 0 279.296 1.011 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1nccn1C ZINC000421765392 374330265 /nfs/dbraw/zinc/33/02/65/374330265.db2.gz YQMQUKVZEBISPV-UHFFFAOYSA-N 1 0 288.307 1.875 20 5 CDBDRO C[NH2+]CCCC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423837110 246129723 /nfs/dbraw/zinc/12/97/23/246129723.db2.gz GPPNFMMPWMHGGK-UHFFFAOYSA-N 1 0 285.731 1.864 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC000370082827 374378297 /nfs/dbraw/zinc/37/82/97/374378297.db2.gz OMWQQPMDHGKUQT-GJZGRUSLSA-N 1 0 292.335 1.475 20 5 CDBDRO Cc1ccc([C@H](C)NC[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000423473653 374383829 /nfs/dbraw/zinc/38/38/29/374383829.db2.gz HKWUGOMNAGNCHL-GXTWGEPZSA-N 1 0 292.383 1.457 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CNCCN1C ZINC000423507193 374385092 /nfs/dbraw/zinc/38/50/92/374385092.db2.gz HTFBPFRNYOUJMQ-OCCSQVGLSA-N 1 0 292.383 1.019 20 5 CDBDRO Cc1ccc(C[NH2+]CCc2nnc[nH]2)cc1[N+](=O)[O-] ZINC000080577518 374472388 /nfs/dbraw/zinc/47/23/88/374472388.db2.gz XMMSCKDNRATRBJ-UHFFFAOYSA-N 1 0 261.285 1.354 20 5 CDBDRO Nc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000375695967 374507639 /nfs/dbraw/zinc/50/76/39/374507639.db2.gz GFNRLSJQHRXLEE-RYUDHWBXSA-N 1 0 292.339 1.452 20 5 CDBDRO CCC[C@H](NC[C@@H](O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000154319082 374695961 /nfs/dbraw/zinc/69/59/61/374695961.db2.gz QNUSOKKMVAHSME-CABCVRRESA-N 1 0 295.383 1.948 20 5 CDBDRO [NH3+]CCCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070231863 374657236 /nfs/dbraw/zinc/65/72/36/374657236.db2.gz RVKKROCAFJJCKW-UHFFFAOYSA-N 1 0 271.704 1.717 20 5 CDBDRO Cc1c([C@H](C)NC[C@@H](O)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000154310475 374695373 /nfs/dbraw/zinc/69/53/73/374695373.db2.gz YZIPYLNCVBQTDV-NWDGAFQWSA-N 1 0 281.356 1.476 20 5 CDBDRO C[C@H](CO)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447548071 374703794 /nfs/dbraw/zinc/70/37/94/374703794.db2.gz FTEUCOGKXQTNER-SDDRHHMPSA-N 1 0 282.344 1.493 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000280319280 374990767 /nfs/dbraw/zinc/99/07/67/374990767.db2.gz PDJMZVHEDZHHQR-KBPBESRZSA-N 1 0 294.351 1.638 20 5 CDBDRO CCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000282967111 375106876 /nfs/dbraw/zinc/10/68/76/375106876.db2.gz JBMHGFGLAHQLDF-UHFFFAOYSA-N 1 0 296.327 1.109 20 5 CDBDRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283005999 375108544 /nfs/dbraw/zinc/10/85/44/375108544.db2.gz FZXFQZMFHGSYLR-ZYHUDNBSSA-N 1 0 295.314 1.868 20 5 CDBDRO CC[N@H+](C)CCNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000166751968 375050414 /nfs/dbraw/zinc/05/04/14/375050414.db2.gz IUMYNKFECINJPM-UHFFFAOYSA-N 1 0 282.300 1.140 20 5 CDBDRO C[NH+]1CCN(CCCSc2ccc([N+](=O)[O-])cn2)CC1 ZINC000131112518 375168002 /nfs/dbraw/zinc/16/80/02/375168002.db2.gz UKUYKPCWZZSMFI-UHFFFAOYSA-N 1 0 296.396 1.719 20 5 CDBDRO Cc1c(C[NH+]2[C@H](CO)CC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000347306463 375496545 /nfs/dbraw/zinc/49/65/45/375496545.db2.gz IVZMTXMWONGOAI-STQMWFEESA-N 1 0 280.324 1.221 20 5 CDBDRO COC[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)OC ZINC000227707992 375595350 /nfs/dbraw/zinc/59/53/50/375595350.db2.gz BDOHSZRMXDJSBV-GFCCVEGCSA-N 1 0 254.286 1.346 20 5 CDBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000353159211 375581103 /nfs/dbraw/zinc/58/11/03/375581103.db2.gz XLMIWYNIDSILSQ-MNOVXSKESA-N 1 0 286.353 1.940 20 5 CDBDRO CCC[C@](C)([NH3+])C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353475252 375614920 /nfs/dbraw/zinc/61/49/20/375614920.db2.gz WTQGQALVNTXFQK-AWEZNQCLSA-N 1 0 295.339 1.737 20 5 CDBDRO C[C@H](CC(N)=O)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000344888935 375649811 /nfs/dbraw/zinc/64/98/11/375649811.db2.gz OJPOXGDEEISQGX-DFVUYQKZSA-N 1 0 263.297 1.462 20 5 CDBDRO C[C@H](O)C[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000228112967 375695214 /nfs/dbraw/zinc/69/52/14/375695214.db2.gz IDONEMHABWULMQ-QWRGUYRKSA-N 1 0 252.314 1.886 20 5 CDBDRO CC[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000228393648 375756187 /nfs/dbraw/zinc/75/61/87/375756187.db2.gz NLYZTBFTKZVPEA-OCCSQVGLSA-N 1 0 291.351 1.723 20 5 CDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000228393151 375756235 /nfs/dbraw/zinc/75/62/35/375756235.db2.gz HVRGXQFKISSDBH-LBPRGKRZSA-N 1 0 291.351 1.725 20 5 CDBDRO CSC[C@](C)(O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000217861686 375750426 /nfs/dbraw/zinc/75/04/26/375750426.db2.gz IHCXSTWYCXDEAM-GFCCVEGCSA-N 1 0 270.354 1.798 20 5 CDBDRO Cc1cccc(C(=O)N[C@H](CC[NH3+])C(F)F)c1[N+](=O)[O-] ZINC000383459149 375890871 /nfs/dbraw/zinc/89/08/71/375890871.db2.gz JGDGHGUKNGAPCB-SECBINFHSA-N 1 0 287.266 1.616 20 5 CDBDRO C[N@@H+]1CC[C@@](O)(CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000358323362 375960473 /nfs/dbraw/zinc/96/04/73/375960473.db2.gz ANNKBEBKOBFNMO-GFCCVEGCSA-N 1 0 269.276 1.212 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(NCC[NH+]3CCC3)c21 ZINC000347459783 376165245 /nfs/dbraw/zinc/16/52/45/376165245.db2.gz GPYXVAHCTFLHSC-UHFFFAOYSA-N 1 0 273.296 1.078 20 5 CDBDRO COc1ccc(OCCN2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000430586799 247655996 /nfs/dbraw/zinc/65/59/96/247655996.db2.gz XLFSBNWPCXQGKV-LLVKDONJSA-N 1 0 295.339 1.405 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000189313461 377229087 /nfs/dbraw/zinc/22/90/87/377229087.db2.gz GTRUCNVJMUYXJL-MDQMCFMNSA-N 1 0 289.335 1.865 20 5 CDBDRO C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000094339191 378147902 /nfs/dbraw/zinc/14/79/02/378147902.db2.gz UWNKNHTWSSNKBB-SCZZXKLOSA-N 1 0 255.343 1.825 20 5 CDBDRO CC(C)OCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173473916 378471305 /nfs/dbraw/zinc/47/13/05/378471305.db2.gz CQZRJZLIDQYFPF-GFCCVEGCSA-N 1 0 294.355 1.901 20 5 CDBDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000266913643 378672677 /nfs/dbraw/zinc/67/26/77/378672677.db2.gz XCAIWYZNYWDFCE-KOLCDFICSA-N 1 0 263.297 1.476 20 5 CDBDRO COc1cc(C[NH2+]CCC[C@@H](C)O)c([N+](=O)[O-])cc1O ZINC000278574057 194050797 /nfs/dbraw/zinc/05/07/97/194050797.db2.gz FAMREFJHEWBXFO-SECBINFHSA-N 1 0 284.312 1.560 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280891734 195017317 /nfs/dbraw/zinc/01/73/17/195017317.db2.gz QAYJYYLBOAYDGK-YGRLFVJLSA-N 1 0 275.308 1.923 20 5 CDBDRO C[C@H]1C[N@H+](C)CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491574833 253091911 /nfs/dbraw/zinc/09/19/11/253091911.db2.gz FVQKLXITIWQMJN-JECSTDCCSA-N 1 0 289.335 1.771 20 5 CDBDRO Cc1ccc(NC(=O)/C=C\C[NH+](C)C)cc1[N+](=O)[O-] ZINC000491629630 253093569 /nfs/dbraw/zinc/09/35/69/253093569.db2.gz FCVNXVSVYOSFJW-PLNGDYQASA-N 1 0 263.297 1.960 20 5 CDBDRO C[NH+](C)C/C=C\C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000492267203 253186952 /nfs/dbraw/zinc/18/69/52/253186952.db2.gz DGNRDAWUUIEMQC-DAXSKMNVSA-N 1 0 289.335 1.597 20 5 CDBDRO C[C@@H](NC(=O)N[C@@H](C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000287455896 533191138 /nfs/dbraw/zinc/19/11/38/533191138.db2.gz XHDWYFJAVBEHCV-WDEREUQCSA-N 1 0 294.355 1.905 20 5 CDBDRO CCC[NH+]1CCN(c2c([N+](=O)[O-])c(CC)nn2C)CC1 ZINC000179574296 390958870 /nfs/dbraw/zinc/95/88/70/390958870.db2.gz GQQFSMYHNOONMA-UHFFFAOYSA-N 1 0 281.360 1.423 20 5 CDBDRO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@H](C[NH3+])C1 ZINC000235659670 390905848 /nfs/dbraw/zinc/90/58/48/390905848.db2.gz FNGWVKCXULTZER-IUCAKERBSA-N 1 0 283.353 1.856 20 5 CDBDRO CC[NH2+]CCNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000415500386 535473839 /nfs/dbraw/zinc/47/38/39/535473839.db2.gz LLESVGIPAWWEDU-UHFFFAOYSA-N 1 0 266.301 1.634 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000186789872 391083189 /nfs/dbraw/zinc/08/31/89/391083189.db2.gz NIWMIRYRCJOTOE-UHFFFAOYSA-N 1 0 291.351 1.690 20 5 CDBDRO CC[NH+](CC)CCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000186288628 391221987 /nfs/dbraw/zinc/22/19/87/391221987.db2.gz QGQXCJYXXUKEMK-UHFFFAOYSA-N 1 0 295.343 1.034 20 5 CDBDRO Cc1nc(NC(C)(C)C[NH+](C)C)ncc1[N+](=O)[O-] ZINC000413351058 391203573 /nfs/dbraw/zinc/20/35/73/391203573.db2.gz AFVAOELWJZMPKL-UHFFFAOYSA-N 1 0 253.306 1.445 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000088147764 391276370 /nfs/dbraw/zinc/27/63/70/391276370.db2.gz NZFUIGZAKHYITR-VIFPVBQESA-N 1 0 251.286 1.370 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000266783424 391336502 /nfs/dbraw/zinc/33/65/02/391336502.db2.gz NSAFGNBWBOSOPH-QMTHXVAHSA-N 1 0 290.323 1.713 20 5 CDBDRO CN(CC[NH3+])C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111010273 391360937 /nfs/dbraw/zinc/36/09/37/391360937.db2.gz GXKUCANKUNHLTA-UHFFFAOYSA-N 1 0 257.677 1.279 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415630863 391470088 /nfs/dbraw/zinc/47/00/88/391470088.db2.gz LQOWIKXHPYJICC-IUCAKERBSA-N 1 0 296.302 1.935 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415634597 391470477 /nfs/dbraw/zinc/47/04/77/391470477.db2.gz SZTQOWKERDQOGX-SECBINFHSA-N 1 0 282.275 1.689 20 5 CDBDRO CCC1(CC)[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C[C@H]1OC ZINC000191386533 391475791 /nfs/dbraw/zinc/47/57/91/391475791.db2.gz FTRCQFPUMCTBIF-VXGBXAGGSA-N 1 0 296.371 1.975 20 5 CDBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000191386542 391475800 /nfs/dbraw/zinc/47/58/00/391475800.db2.gz FTRCQFPUMCTBIF-NWDGAFQWSA-N 1 0 296.371 1.975 20 5 CDBDRO COC[C@@H](O)CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000231607524 391535377 /nfs/dbraw/zinc/53/53/77/391535377.db2.gz KFNCOZVVSJJHLN-NSHDSACASA-N 1 0 288.731 1.735 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000230069481 391633310 /nfs/dbraw/zinc/63/33/10/391633310.db2.gz MNSXKBYMVXZCIJ-KWCYVHTRSA-N 1 0 289.335 1.794 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000414186488 391635104 /nfs/dbraw/zinc/63/51/04/391635104.db2.gz PIVVEKFEYKDDNF-VHRBIJSZSA-N 1 0 280.324 1.968 20 5 CDBDRO [NH3+][C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000237988440 391717140 /nfs/dbraw/zinc/71/71/40/391717140.db2.gz ZWMOWNSPIJLZDE-LBPRGKRZSA-N 1 0 295.364 1.540 20 5 CDBDRO Cc1ccc(C(=O)NCC2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000416289142 391983069 /nfs/dbraw/zinc/98/30/69/391983069.db2.gz INCHLXSRHPTWAH-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000174684001 392015601 /nfs/dbraw/zinc/01/56/01/392015601.db2.gz BLHKMIMKHBODGV-CYBMUJFWSA-N 1 0 294.355 1.557 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)C2CCC2)cc1 ZINC000316585176 391955029 /nfs/dbraw/zinc/95/50/29/391955029.db2.gz NNKPUFGQDRUTTI-ZDUSSCGKSA-N 1 0 250.298 1.845 20 5 CDBDRO [NH3+]C[C@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000237854842 392075255 /nfs/dbraw/zinc/07/52/55/392075255.db2.gz BYLTUWNFPAGZOD-LLVKDONJSA-N 1 0 292.339 1.204 20 5 CDBDRO C[N@H+]1C[C@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000193640325 130640317 /nfs/dbraw/zinc/64/03/17/130640317.db2.gz CGMXCHDCJFYMSJ-PHIMTYICSA-N 1 0 267.354 1.650 20 5 CDBDRO COC(=O)CN(C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000194185076 392147079 /nfs/dbraw/zinc/14/70/79/392147079.db2.gz ZWBDUPDTDAJMFZ-UHFFFAOYSA-N 1 0 282.296 1.469 20 5 CDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1c([N+](=O)[O-])ncn1C ZINC000267667406 392206940 /nfs/dbraw/zinc/20/69/40/392206940.db2.gz OWCDHKGVBHKHGW-ZJUUUORDSA-N 1 0 267.333 1.105 20 5 CDBDRO Cc1sc(C(=O)N2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000237639956 131049806 /nfs/dbraw/zinc/04/98/06/131049806.db2.gz GNMGMGCSTDCWHY-ZETCQYMHSA-N 1 0 269.326 1.399 20 5 CDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[NH2+]C1 ZINC000238030118 131074037 /nfs/dbraw/zinc/07/40/37/131074037.db2.gz KENJJTBRDHHGPJ-JTQLQIEISA-N 1 0 295.364 1.555 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000262048748 131186692 /nfs/dbraw/zinc/18/66/92/131186692.db2.gz HCHLYZCMGPFMAF-VHSXEESVSA-N 1 0 279.296 1.158 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000262730941 131256330 /nfs/dbraw/zinc/25/63/30/131256330.db2.gz HYFLOWQRQJVJLE-PRHODGIISA-N 1 0 281.287 1.462 20 5 CDBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000090794991 392521760 /nfs/dbraw/zinc/52/17/60/392521760.db2.gz WBVRYKBRKXHOMC-UWVGGRQHSA-N 1 0 250.302 1.884 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000442762038 392492611 /nfs/dbraw/zinc/49/26/11/392492611.db2.gz ZPMIZKGIDRBBEV-UWVGGRQHSA-N 1 0 290.323 1.905 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NCCCN1CC[NH+](C)CC1 ZINC000271609525 392594297 /nfs/dbraw/zinc/59/42/97/392594297.db2.gz VEWUFMOWPBOFTB-UHFFFAOYSA-N 1 0 293.371 1.348 20 5 CDBDRO C[C@H](NC(=O)N1CC[NH2+]C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000418228897 392879141 /nfs/dbraw/zinc/87/91/41/392879141.db2.gz FOBARHACFNNSAJ-MNOVXSKESA-N 1 0 292.339 1.659 20 5 CDBDRO CC[NH2+]CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000418327004 392880627 /nfs/dbraw/zinc/88/06/27/392880627.db2.gz PFHIFNQIHBCPNV-UHFFFAOYSA-N 1 0 280.328 1.346 20 5 CDBDRO Cc1n[nH]c(C(=O)NCC2([NH3+])CCCCC2)c1[N+](=O)[O-] ZINC000269107980 132113371 /nfs/dbraw/zinc/11/33/71/132113371.db2.gz LLPJLKISXITQDR-UHFFFAOYSA-N 1 0 281.316 1.018 20 5 CDBDRO Cc1sc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000269235853 132138491 /nfs/dbraw/zinc/13/84/91/132138491.db2.gz WUJZHBCGLPCPEG-APPZFPTMSA-N 1 0 283.353 1.774 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000313942099 392958194 /nfs/dbraw/zinc/95/81/94/392958194.db2.gz OPCPOJIGTKFENQ-YVACAVLKSA-N 1 0 289.335 1.805 20 5 CDBDRO CC1(C)CC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000132494083 393108608 /nfs/dbraw/zinc/10/86/08/393108608.db2.gz SOLNSINTXRZWFI-JQWIXIFHSA-N 1 0 282.344 1.321 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@](C)(C[NH3+])C1CC1 ZINC000430547120 393100831 /nfs/dbraw/zinc/10/08/31/393100831.db2.gz FEDOHKQAWKTOHQ-CQSZACIVSA-N 1 0 279.340 1.820 20 5 CDBDRO C[NH2+][C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430643224 393102830 /nfs/dbraw/zinc/10/28/30/393102830.db2.gz QSBOVIBNFAKMJJ-SECBINFHSA-N 1 0 253.277 1.528 20 5 CDBDRO C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000430932394 393105470 /nfs/dbraw/zinc/10/54/70/393105470.db2.gz GDMIPOVDMSFGSX-NWDGAFQWSA-N 1 0 279.340 1.643 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000449112805 393129672 /nfs/dbraw/zinc/12/96/72/393129672.db2.gz SUQXSYPDVHMRIV-CMPLNLGQSA-N 1 0 277.324 1.346 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CN(C)CCO1 ZINC000449135885 393129996 /nfs/dbraw/zinc/12/99/96/393129996.db2.gz SEOPDBAKDSSYBE-OCCSQVGLSA-N 1 0 293.367 1.446 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC1 ZINC000449184506 393131005 /nfs/dbraw/zinc/13/10/05/393131005.db2.gz GGDJITCZFUOXOA-LBPRGKRZSA-N 1 0 263.341 1.821 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCSC1 ZINC000449181050 393132230 /nfs/dbraw/zinc/13/22/30/393132230.db2.gz DQTGCKCDINWYEX-RISCZKNCSA-N 1 0 296.392 1.983 20 5 CDBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332614983 393155689 /nfs/dbraw/zinc/15/56/89/393155689.db2.gz DXXVZJQMPPSBIM-VHSXEESVSA-N 1 0 252.318 1.949 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[NH+](C)C ZINC000193553423 393373542 /nfs/dbraw/zinc/37/35/42/393373542.db2.gz IFFTUCKJMCLKES-UHFFFAOYSA-N 1 0 251.286 1.115 20 5 CDBDRO CC[NH2+]CCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000151358271 285598765 /nfs/dbraw/zinc/59/87/65/285598765.db2.gz NJERVOKKXXJELF-JTQLQIEISA-N 1 0 297.380 1.801 20 5 CDBDRO COc1cc(N2CC[C@@H]([C@@H](C)[NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000227861075 140187862 /nfs/dbraw/zinc/18/78/62/140187862.db2.gz PTLVQIURJDJWOK-RKDXNWHRSA-N 1 0 283.303 1.916 20 5 CDBDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000228112735 140190583 /nfs/dbraw/zinc/19/05/83/140190583.db2.gz PBLHYCYWQXXGSX-ZJUUUORDSA-N 1 0 268.313 1.852 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@@H]21 ZINC000230072531 140206778 /nfs/dbraw/zinc/20/67/78/140206778.db2.gz CMTUPUIQLNGWJM-KXUCPTDWSA-N 1 0 278.312 1.122 20 5 CDBDRO Cc1c(CNC(=O)C[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000231856280 140219514 /nfs/dbraw/zinc/21/95/14/140219514.db2.gz XOBQBKJTHPSUOA-LBPRGKRZSA-N 1 0 277.324 1.662 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCC[NH2+]1 ZINC000261570915 140351683 /nfs/dbraw/zinc/35/16/83/140351683.db2.gz KSOTUJYHRVHMQL-SECBINFHSA-N 1 0 253.306 1.284 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000261574447 140351946 /nfs/dbraw/zinc/35/19/46/140351946.db2.gz BCZYFJHDPHNLEA-AWEZNQCLSA-N 1 0 261.325 1.780 20 5 CDBDRO Cc1nn(C)c(NCC2([NH3+])CCCCC2)c1[N+](=O)[O-] ZINC000261572972 140352510 /nfs/dbraw/zinc/35/25/10/140352510.db2.gz AKSLLZDJFCZAIY-UHFFFAOYSA-N 1 0 267.333 1.710 20 5 CDBDRO C[NH2+][C@H](C)Cc1noc(CNc2ccccc2[N+](=O)[O-])n1 ZINC000261612365 140362886 /nfs/dbraw/zinc/36/28/86/140362886.db2.gz AWIURLATVVRRNS-SECBINFHSA-N 1 0 291.311 1.740 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000261633344 140366788 /nfs/dbraw/zinc/36/67/88/140366788.db2.gz WHMZPPJBJYXEQS-ONGXEEELSA-N 1 0 263.297 1.465 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261653657 140370087 /nfs/dbraw/zinc/37/00/87/140370087.db2.gz YLDPBGRQZTYRNN-AAEUAGOBSA-N 1 0 261.325 1.636 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000135219775 397909985 /nfs/dbraw/zinc/90/99/85/397909985.db2.gz YHLIVRZOGIOOPK-FUNVUKJBSA-N 1 0 289.335 1.537 20 5 CDBDRO CCCC[C@@H](C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352397431 155158658 /nfs/dbraw/zinc/15/86/58/155158658.db2.gz JRSPSSMDKRWBSV-YPMHNXCESA-N 1 0 284.360 1.663 20 5 CDBDRO CCc1nn(C)c(N2CC[C@@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000127265334 147546876 /nfs/dbraw/zinc/54/68/76/147546876.db2.gz KIZXPEFLASPMBP-RKDXNWHRSA-N 1 0 267.333 1.064 20 5 CDBDRO C[C@@](C[NH3+])(NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000127285123 147548935 /nfs/dbraw/zinc/54/89/35/147548935.db2.gz WCPZRFVNQUSCKB-ZDUSSCGKSA-N 1 0 281.287 1.591 20 5 CDBDRO [NH3+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000129174084 147616806 /nfs/dbraw/zinc/61/68/06/147616806.db2.gz DVGZXENBNLNMAV-ZETCQYMHSA-N 1 0 255.299 1.123 20 5 CDBDRO CC[C@@H](NC(=O)[C@@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000262530036 149073439 /nfs/dbraw/zinc/07/34/39/149073439.db2.gz LVYNZFBSJDVQJC-JOYOIKCWSA-N 1 0 265.313 1.757 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000346153701 153074029 /nfs/dbraw/zinc/07/40/29/153074029.db2.gz HYMVSNKHBCMOFL-MRVPVSSYSA-N 1 0 291.311 1.151 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261610031 292282841 /nfs/dbraw/zinc/28/28/41/292282841.db2.gz DTXULGAWJUGQPZ-WCFLWFBJSA-N 1 0 289.335 1.713 20 5 CDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@]1(CO)CCOC1 ZINC000359828521 158391578 /nfs/dbraw/zinc/39/15/78/158391578.db2.gz DBAAUYATKDBBJC-CQSZACIVSA-N 1 0 296.323 1.057 20 5 CDBDRO CCOC[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000361892626 159010736 /nfs/dbraw/zinc/01/07/36/159010736.db2.gz LTWWMJCCBBOHLL-NWDGAFQWSA-N 1 0 282.340 1.951 20 5 CDBDRO O=[N+]([O-])c1cnn(CCN2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000363042978 159292332 /nfs/dbraw/zinc/29/23/32/159292332.db2.gz TXHYXEHCXYROGE-ZDUSSCGKSA-N 1 0 293.371 1.352 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000363097783 159295945 /nfs/dbraw/zinc/29/59/45/159295945.db2.gz KECKGDFHAVPLBS-JSGCOSHPSA-N 1 0 289.335 1.951 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2C2CC2)c1 ZINC000363572908 159329510 /nfs/dbraw/zinc/32/95/10/159329510.db2.gz KYDQDEYRUMJEGT-QWHCGFSZSA-N 1 0 280.328 1.027 20 5 CDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000367890542 159553399 /nfs/dbraw/zinc/55/33/99/159553399.db2.gz GYDUYLAWZXYSST-CHWSQXEVSA-N 1 0 293.371 1.350 20 5 CDBDRO C[C@]1([NH2+]CCn2ccc([N+](=O)[O-])n2)CCO[C@@H]1C1CC1 ZINC000373280911 160188562 /nfs/dbraw/zinc/18/85/62/160188562.db2.gz NKEITZPXMAHDNU-OLZOCXBDSA-N 1 0 280.328 1.339 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@](O)(C3CC3)C2)cc1 ZINC000373303252 160190625 /nfs/dbraw/zinc/19/06/25/160190625.db2.gz YKLNJIDNIYRZKG-OAHLLOKOSA-N 1 0 292.335 1.820 20 5 CDBDRO CN1CCO[C@@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000285016090 196178053 /nfs/dbraw/zinc/17/80/53/196178053.db2.gz ZKOWXRBNKOVXMW-HUUCEWRRSA-N 1 0 291.351 1.500 20 5 CDBDRO COC(C[N@H+](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000285331412 196252688 /nfs/dbraw/zinc/25/26/88/196252688.db2.gz NWXKIFZXSQXNQT-UHFFFAOYSA-N 1 0 268.313 1.688 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000040593893 174348166 /nfs/dbraw/zinc/34/81/66/174348166.db2.gz ROZAKLFRTIQFLI-NSHDSACASA-N 1 0 277.324 1.666 20 5 CDBDRO Cc1c(C(=O)N2CCC(C[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000044513033 175188727 /nfs/dbraw/zinc/18/87/27/175188727.db2.gz STJUCDJKMFVWBI-UHFFFAOYSA-N 1 0 277.324 1.714 20 5 CDBDRO CC[NH+]1CCC(CNc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000044526356 175191421 /nfs/dbraw/zinc/19/14/21/175191421.db2.gz OCGSOUMQBNJMST-UHFFFAOYSA-N 1 0 281.360 1.781 20 5 CDBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000044526189 175191441 /nfs/dbraw/zinc/19/14/41/175191441.db2.gz YPNPBXQLRHSGHX-UHFFFAOYSA-N 1 0 250.302 1.744 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000071143469 176041122 /nfs/dbraw/zinc/04/11/22/176041122.db2.gz XCHDYHRUAQNTAB-SNVBAGLBSA-N 1 0 293.323 1.285 20 5 CDBDRO CCCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000071315209 176121564 /nfs/dbraw/zinc/12/15/64/176121564.db2.gz UZFLDVDHGKAPLK-LLVKDONJSA-N 1 0 295.314 1.948 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCCCC1 ZINC000071515251 176193256 /nfs/dbraw/zinc/19/32/56/176193256.db2.gz DLHFUMOGRGUDFX-UHFFFAOYSA-N 1 0 251.286 1.242 20 5 CDBDRO [NH3+]C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000313358590 260287266 /nfs/dbraw/zinc/28/72/66/260287266.db2.gz QMWJCRVBTSYCLS-LBPRGKRZSA-N 1 0 299.758 1.798 20 5 CDBDRO CC[C@H](O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000518796127 262347391 /nfs/dbraw/zinc/34/73/91/262347391.db2.gz SQSORFZMLREGPP-CABZTGNLSA-N 1 0 250.298 1.943 20 5 CDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000525804632 262366617 /nfs/dbraw/zinc/36/66/17/262366617.db2.gz HQDFCQOCYMQANI-VIFPVBQESA-N 1 0 283.353 1.728 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(c2ncc([N+](=O)[O-])c(C)n2)C[C@H]1C ZINC000514580995 266004015 /nfs/dbraw/zinc/00/40/15/266004015.db2.gz GUNCDEFJLKWOJY-ZJUUUORDSA-N 1 0 279.344 1.612 20 5 CDBDRO Cc1c(C(=O)N[C@H](C)C[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000320391329 270329317 /nfs/dbraw/zinc/32/93/17/270329317.db2.gz TYDYCLYERXFUCP-DTWKUNHWSA-N 1 0 265.313 1.759 20 5 CDBDRO COc1cc(NC[C@@H]2C[NH2+]CCN2C)c(F)cc1[N+](=O)[O-] ZINC000394819915 270339657 /nfs/dbraw/zinc/33/96/57/270339657.db2.gz PAZVLJDARIZRBX-VIFPVBQESA-N 1 0 298.318 1.058 20 5 CDBDRO CC[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[NH+](C)C ZINC000298491969 273712478 /nfs/dbraw/zinc/71/24/78/273712478.db2.gz GCHQQKGPCKHXII-NSHDSACASA-N 1 0 277.324 1.824 20 5 CDBDRO C[NH+](C)C1CN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000283745686 273792421 /nfs/dbraw/zinc/79/24/21/273792421.db2.gz JXHOJBIBBVCYBU-UHFFFAOYSA-N 1 0 255.705 1.998 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000133276813 273968206 /nfs/dbraw/zinc/96/82/06/273968206.db2.gz WUFVYRXXYAKNLT-SNVBAGLBSA-N 1 0 253.277 1.922 20 5 CDBDRO COC[C@](C)([NH3+])CNc1cc(C)ccc1[N+](=O)[O-] ZINC000268044556 274052489 /nfs/dbraw/zinc/05/24/89/274052489.db2.gz PVSLBEAEYACCPC-GFCCVEGCSA-N 1 0 253.302 1.679 20 5 CDBDRO COc1cc(N2CC[NH2+]CC2)c(F)cc1[N+](=O)[O-] ZINC000114012463 274096544 /nfs/dbraw/zinc/09/65/44/274096544.db2.gz PBHYRBLCLAZKQY-UHFFFAOYSA-N 1 0 255.249 1.152 20 5 CDBDRO C[C@@H]1C[N@H+](C)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000343784130 274333079 /nfs/dbraw/zinc/33/30/79/274333079.db2.gz QAOOFNGDODBSRX-SNVBAGLBSA-N 1 0 267.304 1.870 20 5 CDBDRO C[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000086471227 274598830 /nfs/dbraw/zinc/59/88/30/274598830.db2.gz YDGUZZMXFCNKKA-YUMQZZPRSA-N 1 0 281.341 1.491 20 5 CDBDRO Cc1cc(N2CC[C@H]3[NH2+]CC[C@H]3C2)ncc1[N+](=O)[O-] ZINC000261582189 274711758 /nfs/dbraw/zinc/71/17/58/274711758.db2.gz GOOUMOXPXZCECN-WDEREUQCSA-N 1 0 262.313 1.486 20 5 CDBDRO [NH3+][C@@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000420142241 274958694 /nfs/dbraw/zinc/95/86/94/274958694.db2.gz ICQFQRYWQAFHLX-SNVBAGLBSA-N 1 0 258.281 1.680 20 5 CDBDRO O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CC[NH2+]C1 ZINC000052093996 275032932 /nfs/dbraw/zinc/03/29/32/275032932.db2.gz VVCHVWNLZXLGIY-SSDOTTSWSA-N 1 0 287.117 1.526 20 5 CDBDRO CCC[C@H]1C[NH2+]CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000420230990 276050609 /nfs/dbraw/zinc/05/06/09/276050609.db2.gz JIQKVNXYGISWMO-VIFPVBQESA-N 1 0 295.368 1.882 20 5 CDBDRO CC[N@@H+]1CCCC[C@@H]1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000301282025 276157910 /nfs/dbraw/zinc/15/79/10/276157910.db2.gz MWTOHLZLLUVLOH-LLVKDONJSA-N 1 0 281.360 1.923 20 5 CDBDRO C[NH2+][C@@H](C)CN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423393351 277293813 /nfs/dbraw/zinc/29/38/13/277293813.db2.gz PCBWSEICUVDGHB-MNOVXSKESA-N 1 0 251.330 1.723 20 5 CDBDRO COC[C@@H](O)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193063405 277572025 /nfs/dbraw/zinc/57/20/25/277572025.db2.gz CLJSSZJSBHJOET-DZGCQCFKSA-N 1 0 294.351 1.959 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000235315839 277747912 /nfs/dbraw/zinc/74/79/12/277747912.db2.gz VKDSJXHHKYAXGP-ZWNOBZJWSA-N 1 0 277.324 1.794 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000127352606 278314054 /nfs/dbraw/zinc/31/40/54/278314054.db2.gz PNOJPFVJSYNVAV-RKDXNWHRSA-N 1 0 253.277 1.907 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H]1C[NH3+] ZINC000070176934 278477669 /nfs/dbraw/zinc/47/76/69/278477669.db2.gz OSHJAJDIRDRBNS-NOZJJQNGSA-N 1 0 295.314 1.933 20 5 CDBDRO Cc1cc(N2CCCC[C@@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000092027576 278709061 /nfs/dbraw/zinc/70/90/61/278709061.db2.gz YUHSBQKAGWKHTL-SNVBAGLBSA-N 1 0 250.302 1.616 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000054370213 278837636 /nfs/dbraw/zinc/83/76/36/278837636.db2.gz BHJSFRSHYGRDRD-SSDOTTSWSA-N 1 0 255.299 1.090 20 5 CDBDRO C[C@@H]1[C@H](NC(=O)c2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343418134 279124968 /nfs/dbraw/zinc/12/49/68/279124968.db2.gz BCNMMORPJRQPQP-ZYHUDNBSSA-N 1 0 277.324 1.807 20 5 CDBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCNC1=O ZINC000282210475 279210993 /nfs/dbraw/zinc/21/09/93/279210993.db2.gz DHMXAZHBZDMDAE-CYBMUJFWSA-N 1 0 293.323 1.184 20 5 CDBDRO CCOC[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551583 279279266 /nfs/dbraw/zinc/27/92/66/279279266.db2.gz WYYNHZBNVKUPAZ-GFCCVEGCSA-N 1 0 295.339 1.115 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000237634420 279292691 /nfs/dbraw/zinc/29/26/91/279292691.db2.gz YYWPTOPUUJKVAE-SSDOTTSWSA-N 1 0 271.704 1.667 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000070175031 279406618 /nfs/dbraw/zinc/40/66/18/279406618.db2.gz HEPCPHJDXGTWHR-GXSJLCMTSA-N 1 0 292.339 1.257 20 5 CDBDRO O=C(N[C@@H]1CC[NH2+]C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269133652 279901192 /nfs/dbraw/zinc/90/11/92/279901192.db2.gz NXLAABSWGOUMSM-SECBINFHSA-N 1 0 275.264 1.433 20 5 CDBDRO C[C@H]1OCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000120997013 280067839 /nfs/dbraw/zinc/06/78/39/280067839.db2.gz DVWMANHUKAVPMI-ZWNOBZJWSA-N 1 0 250.298 1.904 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235438303 280127182 /nfs/dbraw/zinc/12/71/82/280127182.db2.gz FPFPUXJAZAMNMH-ZFAUCMQBSA-N 1 0 289.335 1.865 20 5 CDBDRO Cc1c(C(=O)N2CC[NH2+]C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000054369800 280207740 /nfs/dbraw/zinc/20/77/40/280207740.db2.gz DTLORXUCOINBOG-VIFPVBQESA-N 1 0 263.297 1.337 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000520815205 281055959 /nfs/dbraw/zinc/05/59/59/281055959.db2.gz BFTCFEAQEGJFPY-YUMQZZPRSA-N 1 0 283.332 1.126 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N1CCO[C@@H](C[NH3+])C1 ZINC000165793592 281260486 /nfs/dbraw/zinc/26/04/86/281260486.db2.gz RBOCPBVXDIEDRM-JTQLQIEISA-N 1 0 251.286 1.067 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOCCO ZINC000159137264 289326944 /nfs/dbraw/zinc/32/69/44/289326944.db2.gz VMJFNHDBXGVZPA-NSHDSACASA-N 1 0 268.313 1.563 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000567925263 293908444 /nfs/dbraw/zinc/90/84/44/293908444.db2.gz HVFHUCGMSPIBTF-UWVGGRQHSA-N 1 0 280.328 1.249 20 5 CDBDRO CC/C=C\C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000574311957 294981830 /nfs/dbraw/zinc/98/18/30/294981830.db2.gz FDKXWIGIZQZEIO-RYBZSIHZSA-N 1 0 280.324 1.890 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261746664 302038399 /nfs/dbraw/zinc/03/83/99/302038399.db2.gz SQTYKNYNEMGGLU-NEPJUHHUSA-N 1 0 289.335 1.727 20 5 CDBDRO Cc1cnc(N2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000090692566 302348963 /nfs/dbraw/zinc/34/89/63/302348963.db2.gz KVDXFUZWQYHJPC-JTQLQIEISA-N 1 0 250.302 1.616 20 5 CDBDRO CC(C)[NH2+]CCCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000577104315 317266395 /nfs/dbraw/zinc/26/63/95/317266395.db2.gz SPPYGZYMLAJOEG-UHFFFAOYSA-N 1 0 295.339 1.478 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000382469340 323642942 /nfs/dbraw/zinc/64/29/42/323642942.db2.gz OUDMURQSZJZTJX-IUCAKERBSA-N 1 0 281.287 1.591 20 5 CDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000389730877 323809082 /nfs/dbraw/zinc/80/90/82/323809082.db2.gz QPQPLGKMCJEWLI-CYBMUJFWSA-N 1 0 291.351 1.642 20 5 CDBDRO O=c1c2ccc([N+](=O)[O-])cc2ncn1CC[C@H]1CC[NH2+]C1 ZINC000580832035 324572197 /nfs/dbraw/zinc/57/21/97/324572197.db2.gz NUSHFUCVAXQVNG-SNVBAGLBSA-N 1 0 288.307 1.304 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@H](C[NH3+])CC[C@H]1C ZINC000227214297 1161405002 /nfs/dbraw/zinc/40/50/02/1161405002.db2.gz RVJBVLSHVJQKQT-MNOVXSKESA-N 1 0 264.329 1.862 20 5 CDBDRO C[C@H](NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000400457709 533871506 /nfs/dbraw/zinc/87/15/06/533871506.db2.gz SXIWMFSTNYSQPZ-FZMZJTMJSA-N 1 0 263.341 1.867 20 5 CDBDRO COC(=O)C1(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1 ZINC001168966995 1161996228 /nfs/dbraw/zinc/99/62/28/1161996228.db2.gz MOZWQDCOXCUFAD-QWRGUYRKSA-N 1 0 270.329 1.365 20 5 CDBDRO CN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000231490386 536069752 /nfs/dbraw/zinc/06/97/52/536069752.db2.gz YBVZVTVUJBBYHC-SNVBAGLBSA-N 1 0 283.353 1.870 20 5 CDBDRO C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000153603189 534306236 /nfs/dbraw/zinc/30/62/36/534306236.db2.gz GOLMLPHHWGRKOG-PHIMTYICSA-N 1 0 293.323 1.182 20 5 CDBDRO CC(C)C[C@H]([NH3+])c1noc(Cn2ccc([N+](=O)[O-])n2)n1 ZINC000339396703 519377937 /nfs/dbraw/zinc/37/79/37/519377937.db2.gz QAPBGAYBMXBRCD-QMMMGPOBSA-N 1 0 280.288 1.269 20 5 CDBDRO CC[NH+](CC)CCCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000337177457 520592746 /nfs/dbraw/zinc/59/27/46/520592746.db2.gz OZHYOQOUJASBIX-UHFFFAOYSA-N 1 0 282.344 1.775 20 5 CDBDRO [NH3+]CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000307819849 534650991 /nfs/dbraw/zinc/65/09/91/534650991.db2.gz NQLMGLMGSLPUJJ-VIFPVBQESA-N 1 0 291.229 1.604 20 5 CDBDRO COCCN(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000061378710 523608679 /nfs/dbraw/zinc/60/86/79/523608679.db2.gz CERKJGWXOPRRDF-UHFFFAOYSA-N 1 0 281.356 1.571 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000050708063 523840379 /nfs/dbraw/zinc/84/03/79/523840379.db2.gz LLIUQFYZSRQHPS-SNVBAGLBSA-N 1 0 292.339 1.249 20 5 CDBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246819805 524132659 /nfs/dbraw/zinc/13/26/59/524132659.db2.gz XBZXMWSTQASQBK-BNOWGMLFSA-N 1 0 296.371 1.663 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000234885032 525460001 /nfs/dbraw/zinc/46/00/01/525460001.db2.gz IVAHNQKAEHUPCM-SKDRFNHKSA-N 1 0 265.313 1.382 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(CO)CCOCC1 ZINC000069248204 525460528 /nfs/dbraw/zinc/46/05/28/525460528.db2.gz LGCMKOCNYGSGGB-UHFFFAOYSA-N 1 0 296.323 1.235 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])ccc1Cl ZINC000053253546 526513273 /nfs/dbraw/zinc/51/32/73/526513273.db2.gz YTVTZMLCMUHEJB-QMMMGPOBSA-N 1 0 283.715 1.730 20 5 CDBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000420342967 536454658 /nfs/dbraw/zinc/45/46/58/536454658.db2.gz WHYUGVTXGQFRFO-UHFFFAOYSA-N 1 0 253.277 1.655 20 5 CDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000050015904 526760117 /nfs/dbraw/zinc/76/01/17/526760117.db2.gz NOOCYRKEIOSVQG-NSHDSACASA-N 1 0 263.297 1.211 20 5 CDBDRO [NH3+]C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000236223676 527218475 /nfs/dbraw/zinc/21/84/75/527218475.db2.gz RIIUFMLQTZATPH-ZETCQYMHSA-N 1 0 256.693 1.428 20 5 CDBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000184946924 527414043 /nfs/dbraw/zinc/41/40/43/527414043.db2.gz CYCLXVXKMFGBCF-BNOWGMLFSA-N 1 0 289.335 1.333 20 5 CDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C1 ZINC000052093012 527619970 /nfs/dbraw/zinc/61/99/70/527619970.db2.gz KDPCLYDEUIFBCA-GQOHGMTASA-N 1 0 261.281 1.086 20 5 CDBDRO CC[N@H+](CCO)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173659757 528551824 /nfs/dbraw/zinc/55/18/24/528551824.db2.gz DEGLLVDGUSKPMJ-UHFFFAOYSA-N 1 0 284.312 1.296 20 5 CDBDRO CC(C)[N@H+](C)CCCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290605376 528818349 /nfs/dbraw/zinc/81/83/49/528818349.db2.gz ZNFRZLQBLLJFJY-UHFFFAOYSA-N 1 0 295.343 1.231 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000262523135 535066779 /nfs/dbraw/zinc/06/67/79/535066779.db2.gz YIMWZMDCGDDCER-UHFFFAOYSA-N 1 0 283.353 1.540 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCCC[NH3+] ZINC000415657295 535429961 /nfs/dbraw/zinc/42/99/61/535429961.db2.gz MDAABWIBHWBBPG-UHFFFAOYSA-N 1 0 296.327 1.854 20 5 CDBDRO COC[C@]1(CNC(=O)c2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000261698519 536686571 /nfs/dbraw/zinc/68/65/71/536686571.db2.gz NXSFHZJWMPCXEC-CQSZACIVSA-N 1 0 293.323 1.093 20 5 CDBDRO COc1cc(C(=O)N2CC[NH2+]C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000422750072 536888438 /nfs/dbraw/zinc/88/84/38/536888438.db2.gz CAIATINLUOHDMT-VIFPVBQESA-N 1 0 293.323 1.346 20 5 CDBDRO CN(CC[NH+]1CCCC1)c1nc2ccccn2c1[N+](=O)[O-] ZINC000728569458 574637802 /nfs/dbraw/zinc/63/78/02/574637802.db2.gz UNVNKGDANVDXOS-UHFFFAOYSA-N 1 0 289.339 1.775 20 5 CDBDRO C[NH+](C)C[C@H]1CCCN(c2cccnc2[N+](=O)[O-])C1 ZINC000732803933 575096961 /nfs/dbraw/zinc/09/69/61/575096961.db2.gz QPPOOUSPEQJSRH-LLVKDONJSA-N 1 0 264.329 1.768 20 5 CDBDRO Cc1noc(CN2CC[C@H]([NH+](C)C)[C@H]2C)c1[N+](=O)[O-] ZINC000931036420 617583862 /nfs/dbraw/zinc/58/38/62/617583862.db2.gz FTPDWGKHXGTEEU-ZJUUUORDSA-N 1 0 268.317 1.416 20 5 CDBDRO C[C@]1(NC(=O)c2ccc([N+](=O)[O-])o2)C[NH+]2CCC1CC2 ZINC000892803006 617763370 /nfs/dbraw/zinc/76/33/70/617763370.db2.gz XLOFUMZJRGZOJA-ZDUSSCGKSA-N 1 0 279.296 1.402 20 5 CDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000893933807 618193003 /nfs/dbraw/zinc/19/30/03/618193003.db2.gz CVAVWKJTXSUAPL-KWQFWETISA-N 1 0 282.731 1.784 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000893938738 618199723 /nfs/dbraw/zinc/19/97/23/618199723.db2.gz FPEMOMGAONYBII-GHMZBOCLSA-N 1 0 279.344 1.260 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2COCO2)c1 ZINC000894871718 619112464 /nfs/dbraw/zinc/11/24/64/619112464.db2.gz VXBBGEZWGHLIGD-JTQLQIEISA-N 1 0 272.688 1.711 20 5 CDBDRO O=C1NCCN1CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000896054513 619962263 /nfs/dbraw/zinc/96/22/63/619962263.db2.gz VUTTXOBVOLDNLB-UHFFFAOYSA-N 1 0 298.730 1.363 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841010879 620936913 /nfs/dbraw/zinc/93/69/13/620936913.db2.gz JXUJLKYRYKGKTB-LURJTMIESA-N 1 0 272.692 1.717 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCc1ccccc1OC(F)F ZINC000905229216 626684719 /nfs/dbraw/zinc/68/47/19/626684719.db2.gz LAGHWROTIWPTBL-UHFFFAOYSA-N 1 0 260.240 1.697 20 5 CDBDRO CCOc1cccc([C@@H]2C[C@H]2[NH2+]CC[N+](=O)[O-])c1 ZINC000905244365 626701093 /nfs/dbraw/zinc/70/10/93/626701093.db2.gz QEOLLGCBJUCQBJ-QWHCGFSZSA-N 1 0 250.298 1.808 20 5 CDBDRO COc1ccc(C2=NO[C@H](CNCC[N+](=O)[O-])C2)cc1 ZINC000905254294 626707090 /nfs/dbraw/zinc/70/70/90/626707090.db2.gz KKTQZTFJJQKVPO-LBPRGKRZSA-N 1 0 279.296 1.055 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000905273951 626729566 /nfs/dbraw/zinc/72/95/66/626729566.db2.gz POZFVMLUJIXSST-UHFFFAOYSA-N 1 0 262.668 1.724 20 5 CDBDRO CCC[C@H](O)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905587996 626879176 /nfs/dbraw/zinc/87/91/76/626879176.db2.gz JSEMHWCNAGHKQV-KBPBESRZSA-N 1 0 282.340 1.769 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000911734182 629456014 /nfs/dbraw/zinc/45/60/14/629456014.db2.gz JWNXVKXMFKODRO-ZLKJLUDKSA-N 1 0 289.335 1.506 20 5 CDBDRO [NH3+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000911833365 629564208 /nfs/dbraw/zinc/56/42/08/629564208.db2.gz LGNOWNZVCWXWMZ-MJBXVCDLSA-N 1 0 289.335 1.552 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000044556143 630551021 /nfs/dbraw/zinc/55/10/21/630551021.db2.gz OBJFNAARUPLFDE-LLVKDONJSA-N 1 0 299.352 1.097 20 5 CDBDRO CC(C)[C@H]1C[N@H+](C)CCN1Cn1nccc1[N+](=O)[O-] ZINC000153656816 631770920 /nfs/dbraw/zinc/77/09/20/631770920.db2.gz JRJZXHJGYNZYJG-LLVKDONJSA-N 1 0 267.333 1.021 20 5 CDBDRO C[NH+]1CC(CNc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001170252449 1162325593 /nfs/dbraw/zinc/32/55/93/1162325593.db2.gz MBPTVZVWPFKKCF-UHFFFAOYSA-N 1 0 256.693 1.617 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC001170298390 1162328858 /nfs/dbraw/zinc/32/88/58/1162328858.db2.gz KUIFEVOPWIVOQQ-JQWIXIFHSA-N 1 0 280.324 1.913 20 5 CDBDRO COc1nc(NCC(C)(C)C[NH+](C)C)nc(C)c1[N+](=O)[O-] ZINC001168762994 1161547583 /nfs/dbraw/zinc/54/75/83/1161547583.db2.gz DGEKNSZRBOURKT-UHFFFAOYSA-N 1 0 297.359 1.702 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H](CO)c2ccc(O)cc2)C1 ZINC001169000752 1161997094 /nfs/dbraw/zinc/99/70/94/1161997094.db2.gz BHQHVQSMUGQVEN-JKOKRWQUSA-N 1 0 280.324 1.461 20 5 CDBDRO [NH3+]Cc1cnn(-c2cc([N+](=O)[O-])c3cc[nH]c3n2)c1 ZINC001157474286 1162109609 /nfs/dbraw/zinc/10/96/09/1162109609.db2.gz FEOWQKZIAZZUBF-UHFFFAOYSA-N 1 0 258.241 1.116 20 5 CDBDRO CC(C)C[C@@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001573504096 1170675524 /nfs/dbraw/zinc/67/55/24/1170675524.db2.gz MUDCUGHBKAWOJS-GFCCVEGCSA-N 1 0 277.324 1.857 20 5 CDBDRO CN(C(=O)CC(C)(C)[NH3+])c1ccc([N+](=O)[O-])nc1 ZINC001573853224 1170806512 /nfs/dbraw/zinc/80/65/12/1170806512.db2.gz WVUUQIMONBYLAU-UHFFFAOYSA-N 1 0 252.274 1.080 20 5 CDBDRO C[NH2+]C[C@H]1CCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000070496662 1171667123 /nfs/dbraw/zinc/66/71/23/1171667123.db2.gz INKAAGMXJKKTDY-SNVBAGLBSA-N 1 0 250.302 1.344 20 5 CDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC1([NH3+])CC1 ZINC001579537275 1172208409 /nfs/dbraw/zinc/20/84/09/1172208409.db2.gz KQOWVRPPTPSIDO-UHFFFAOYSA-N 1 0 267.260 1.263 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC001593465807 1174080223 /nfs/dbraw/zinc/08/02/23/1174080223.db2.gz AJNKSGHMAFAUPM-LBPRGKRZSA-N 1 0 288.311 1.110 20 5 CDBDRO CN(c1cc(Cl)ncc1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC001159053901 1164031953 /nfs/dbraw/zinc/03/19/53/1164031953.db2.gz APIMQFWXBLAIHI-UHFFFAOYSA-N 1 0 258.709 1.817 20 5 CDBDRO Cc1nc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000590696187 719249262 /nfs/dbraw/zinc/24/92/62/719249262.db2.gz HKFYNADNVJZKCR-IUCAKERBSA-N 1 0 265.317 1.222 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@H]([NH+](C)C)C2)n1 ZINC001165034783 721887418 /nfs/dbraw/zinc/88/74/18/721887418.db2.gz IPFQGJNAHQZHJD-VIFPVBQESA-N 1 0 299.762 1.877 20 5 CDBDRO CO[C@@H]1CCN(Cn2cc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000840122925 753882954 /nfs/dbraw/zinc/88/29/54/753882954.db2.gz JTEAXSKYVNRMBP-JOYOIKCWSA-N 1 0 268.317 1.414 20 5 CDBDRO CC[C@H](C)[C@H](O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843072441 754062322 /nfs/dbraw/zinc/06/23/22/754062322.db2.gz CGXWXFDUXUHYAG-GDLCADMTSA-N 1 0 282.340 1.625 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000876791952 754083841 /nfs/dbraw/zinc/08/38/41/754083841.db2.gz QMJGLNNQVWLJCE-NSHDSACASA-N 1 0 277.324 1.679 20 5 CDBDRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccccc1 ZINC000839460238 754126290 /nfs/dbraw/zinc/12/62/90/754126290.db2.gz DHGSTDSHTKMQLM-UPJWGTAASA-N 1 0 277.324 1.071 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)n1 ZINC000886830303 754205067 /nfs/dbraw/zinc/20/50/67/754205067.db2.gz OQMGBGOBAWQPBL-NEPJUHHUSA-N 1 0 280.328 1.292 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CC[NH2+]C1CC1)CC2 ZINC000848429877 754232349 /nfs/dbraw/zinc/23/23/49/754232349.db2.gz XENOAWHLEYYCLE-UHFFFAOYSA-N 1 0 289.335 1.934 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NCCc1cccc([N+](=O)[O-])c1 ZINC000925630338 754310797 /nfs/dbraw/zinc/31/07/97/754310797.db2.gz RFMTWYRUUZCQMP-CYBMUJFWSA-N 1 0 263.341 1.867 20 5 CDBDRO Cc1cnc(N2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261568213 754316173 /nfs/dbraw/zinc/31/61/73/754316173.db2.gz JAIYSRXFAGNMMX-GFCCVEGCSA-N 1 0 250.302 1.473 20 5 CDBDRO C[C@@H](CNC(=O)[C@@H](C)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000887399470 754381800 /nfs/dbraw/zinc/38/18/00/754381800.db2.gz VVIMYEICEASUNC-WDEREUQCSA-N 1 0 279.340 1.765 20 5 CDBDRO CC[NH2+]CCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841034513 754396873 /nfs/dbraw/zinc/39/68/73/754396873.db2.gz DTPVKIZGJCYJKY-UHFFFAOYSA-N 1 0 257.721 1.947 20 5 CDBDRO CC1(C)C[NH2+]CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000088139080 754656030 /nfs/dbraw/zinc/65/60/30/754656030.db2.gz CNHHBUZSIPJBJI-VMPITWQZSA-N 1 0 289.335 1.818 20 5 CDBDRO CC1(C)[C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC000886229391 754667590 /nfs/dbraw/zinc/66/75/90/754667590.db2.gz OYFFBSODDKHUPF-UTUOFQBUSA-N 1 0 277.324 1.893 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNc1nc2ccccn2c1[N+](=O)[O-] ZINC000882961210 754901388 /nfs/dbraw/zinc/90/13/88/754901388.db2.gz IEHUFDRFZKKNNI-JTQLQIEISA-N 1 0 275.312 1.749 20 5 CDBDRO C[C@H]([NH3+])CN(C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000863653243 754931922 /nfs/dbraw/zinc/93/19/22/754931922.db2.gz GHAGBLRJVMZWBU-VIFPVBQESA-N 1 0 281.312 1.145 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000886274649 754950226 /nfs/dbraw/zinc/95/02/26/754950226.db2.gz YATVNFSUTJXOBD-NSHDSACASA-N 1 0 288.311 1.103 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000089108423 754961733 /nfs/dbraw/zinc/96/17/33/754961733.db2.gz FNKIPPXMQSEBJU-VHSXEESVSA-N 1 0 250.302 1.919 20 5 CDBDRO Cn1c(-c2nc(C3CC[NH2+]CC3)no2)ccc1[N+](=O)[O-] ZINC000843137764 755052230 /nfs/dbraw/zinc/05/22/30/755052230.db2.gz MGIQTINPJFYMKZ-UHFFFAOYSA-N 1 0 277.284 1.450 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(Cc3cc([O-])ccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931437200 755075269 /nfs/dbraw/zinc/07/52/69/755075269.db2.gz NEWQKTQTHNLSDU-YPMHNXCESA-N 1 0 291.351 1.684 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1Cc1cccnc1[N+](=O)[O-] ZINC000886827967 755089314 /nfs/dbraw/zinc/08/93/14/755089314.db2.gz UXMJIMFDNJLJTI-NSHDSACASA-N 1 0 250.302 1.303 20 5 CDBDRO C[C@H](CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000855417163 755196039 /nfs/dbraw/zinc/19/60/39/755196039.db2.gz CZDUTACZSFYKSZ-ZWNOBZJWSA-N 1 0 295.339 1.085 20 5 CDBDRO C[NH2+][C@@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886828130 755340082 /nfs/dbraw/zinc/34/00/82/755340082.db2.gz XVXMTBXOIVDIQJ-LLVKDONJSA-N 1 0 250.302 1.174 20 5 CDBDRO Nc1ccc([N+](=O)[O-])c(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000829010308 755343209 /nfs/dbraw/zinc/34/32/09/755343209.db2.gz RLJVTCIQNGSCNT-TXEJJXNPSA-N 1 0 292.339 1.452 20 5 CDBDRO CCOc1cccc(N2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC000135048352 755689131 /nfs/dbraw/zinc/68/91/31/755689131.db2.gz SAHUWUWKQDFFAE-UHFFFAOYSA-N 1 0 265.313 1.921 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCSC2)c1 ZINC000819117285 755727561 /nfs/dbraw/zinc/72/75/61/755727561.db2.gz DLGYPSJASXSBFX-JQWIXIFHSA-N 1 0 268.338 1.723 20 5 CDBDRO C[N@H+](CCCNC(=O)OC(C)(C)C)CC[N+](=O)[O-] ZINC000929674278 755800930 /nfs/dbraw/zinc/80/09/30/755800930.db2.gz ZEJSTWXKADGOMH-UHFFFAOYSA-N 1 0 261.322 1.110 20 5 CDBDRO C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000716640547 755808688 /nfs/dbraw/zinc/80/86/88/755808688.db2.gz XGLDEESPYZTFPA-SNVBAGLBSA-N 1 0 277.324 1.713 20 5 CDBDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000857084175 755845378 /nfs/dbraw/zinc/84/53/78/755845378.db2.gz KEFIWWNQVSHARW-BXKDBHETSA-N 1 0 292.339 1.448 20 5 CDBDRO CC1(C)OCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CO1 ZINC000819226841 755868837 /nfs/dbraw/zinc/86/88/37/755868837.db2.gz YQGVAPDAMUKCNR-ZDUSSCGKSA-N 1 0 296.323 1.369 20 5 CDBDRO CC1(C)CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000842314448 755911761 /nfs/dbraw/zinc/91/17/61/755911761.db2.gz XRXPHZLEVDWNJY-UHFFFAOYSA-N 1 0 280.284 1.691 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H]1C ZINC000827573971 756023853 /nfs/dbraw/zinc/02/38/53/756023853.db2.gz QORRHSQAOKVLFH-VXGBXAGGSA-N 1 0 285.388 1.763 20 5 CDBDRO C[C@H]1CN(Cc2cccnc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000886827667 756056646 /nfs/dbraw/zinc/05/66/46/756056646.db2.gz PGIRNSHFSSHILA-UWVGGRQHSA-N 1 0 250.302 1.172 20 5 CDBDRO C[NH+](C)CC[C@H](N)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000844676515 756092187 /nfs/dbraw/zinc/09/21/87/756092187.db2.gz KOSLNEWLPHWWHY-NSHDSACASA-N 1 0 291.311 1.596 20 5 CDBDRO CC[C@@H](CO)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000857329524 756220096 /nfs/dbraw/zinc/22/00/96/756220096.db2.gz LWPPUGLEQLJXAL-MNOVXSKESA-N 1 0 295.339 1.591 20 5 CDBDRO C[C@H](CCO)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843085137 756306851 /nfs/dbraw/zinc/30/68/51/756306851.db2.gz FSEWCQCOFQLNGJ-FZMZJTMJSA-N 1 0 282.340 1.626 20 5 CDBDRO C[C@H]([NH3+])CN(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000312018454 756310014 /nfs/dbraw/zinc/31/00/14/756310014.db2.gz ULPHOQMMISOJHB-YVFTVSHDSA-N 1 0 263.297 1.414 20 5 CDBDRO Cc1c(CNC(=O)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000822374932 756399161 /nfs/dbraw/zinc/39/91/61/756399161.db2.gz LQPVUYCJJPHZTL-UHFFFAOYSA-N 1 0 277.324 1.615 20 5 CDBDRO O=[N+]([O-])c1ccc(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000328470056 756823302 /nfs/dbraw/zinc/82/33/02/756823302.db2.gz ZGTWCJCBGHBYIZ-XSXPHNMFSA-N 1 0 273.336 1.681 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CCC[C@H]([NH+](C)C)CC1 ZINC000893491224 756844309 /nfs/dbraw/zinc/84/43/09/756844309.db2.gz GSLUHMSCBVMTSU-JTQLQIEISA-N 1 0 267.333 1.249 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000886839602 756854468 /nfs/dbraw/zinc/85/44/68/756854468.db2.gz IHDOKRIDDCIFGY-ZDUSSCGKSA-N 1 0 262.313 1.318 20 5 CDBDRO [NH3+]CCN(Cc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000809734749 756869161 /nfs/dbraw/zinc/86/91/61/756869161.db2.gz KNXWQPUNEKATEL-UHFFFAOYSA-N 1 0 272.308 1.955 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000070172213 756884580 /nfs/dbraw/zinc/88/45/80/756884580.db2.gz HMSXMGLWYCCHMM-UWVGGRQHSA-N 1 0 280.328 1.133 20 5 CDBDRO C[C@@H]([NH3+])CN(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000861567511 756889587 /nfs/dbraw/zinc/88/95/87/756889587.db2.gz JINIKOUDEJRANL-SECBINFHSA-N 1 0 266.301 1.083 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000877180351 756899038 /nfs/dbraw/zinc/89/90/38/756899038.db2.gz MJPMSYDRDNYGMR-HOMQSWHASA-N 1 0 295.314 1.981 20 5 CDBDRO Cc1c(C[NH2+]CCOCCF)cccc1[N+](=O)[O-] ZINC000702572498 757062958 /nfs/dbraw/zinc/06/29/58/757062958.db2.gz YGLZLOHNFJCEIL-UHFFFAOYSA-N 1 0 256.277 1.979 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702048191 757284040 /nfs/dbraw/zinc/28/40/40/757284040.db2.gz FXWFXYVFXKBOOR-SSDOTTSWSA-N 1 0 271.704 1.573 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000702055546 757415062 /nfs/dbraw/zinc/41/50/62/757415062.db2.gz MEQUZOWTHZNDET-QMMMGPOBSA-N 1 0 269.688 1.421 20 5 CDBDRO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886001926 757493440 /nfs/dbraw/zinc/49/34/40/757493440.db2.gz NCYULNKPOIMFOQ-CMPLNLGQSA-N 1 0 265.313 1.725 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873129632 757656254 /nfs/dbraw/zinc/65/62/54/757656254.db2.gz NWLRSGDYABQJRC-SNVBAGLBSA-N 1 0 279.340 1.826 20 5 CDBDRO CC[N@H+](CCC(=O)NC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933863685 757748278 /nfs/dbraw/zinc/74/82/78/757748278.db2.gz GPVGGOWMINJOJE-CYBMUJFWSA-N 1 0 295.339 1.086 20 5 CDBDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1CC[N+](=O)[O-] ZINC000930147301 757828243 /nfs/dbraw/zinc/82/82/43/757828243.db2.gz BWPGIHLTNWYEDD-KBPBESRZSA-N 1 0 277.368 1.858 20 5 CDBDRO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000886086544 757940555 /nfs/dbraw/zinc/94/05/55/757940555.db2.gz KLGQLIXTQREXBJ-PWSUYJOCSA-N 1 0 265.313 1.583 20 5 CDBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[NH+](C)C ZINC000855414825 758089198 /nfs/dbraw/zinc/08/91/98/758089198.db2.gz BVYBZDHPBUMFHA-QMMMGPOBSA-N 1 0 298.318 1.386 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H]2CN(Cc3cccnc3[N+](=O)[O-])C[C@H]21 ZINC000886832935 758171053 /nfs/dbraw/zinc/17/10/53/758171053.db2.gz PVDZPDHAIMNHGY-CYZMBNFOSA-N 1 0 276.340 1.549 20 5 CDBDRO C[C@H](O)[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000780357580 758436669 /nfs/dbraw/zinc/43/66/69/758436669.db2.gz CTTLSFWFMUFDAI-JKOKRWQUSA-N 1 0 280.324 1.331 20 5 CDBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1O ZINC000879141954 758448564 /nfs/dbraw/zinc/44/85/64/758448564.db2.gz GEWLEIPJTBAATH-RBSFLKMASA-N 1 0 294.351 1.864 20 5 CDBDRO C[C@H]([NH3+])CN(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000311021171 758704908 /nfs/dbraw/zinc/70/49/08/758704908.db2.gz OESQUGXECXENMF-ZETCQYMHSA-N 1 0 255.249 1.153 20 5 CDBDRO [NH3+]C1(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCC1 ZINC000843454550 758791811 /nfs/dbraw/zinc/79/18/11/758791811.db2.gz SXUAEXOTGJDEHB-UHFFFAOYSA-N 1 0 297.286 1.110 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCCCO2)cc1 ZINC000105908937 758796136 /nfs/dbraw/zinc/79/61/36/758796136.db2.gz XVOQBADYVQEFKN-KBPBESRZSA-N 1 0 280.324 1.787 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700626513 758812627 /nfs/dbraw/zinc/81/26/27/758812627.db2.gz YXEMWWCEMZQDGY-SNVBAGLBSA-N 1 0 285.731 1.961 20 5 CDBDRO CCC(CO)(CO)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215980 912297178 /nfs/dbraw/zinc/29/71/78/912297178.db2.gz GQPUORQHYAICOP-LLVKDONJSA-N 1 0 282.340 1.249 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCS(C)(=O)=O ZINC001173210021 912333684 /nfs/dbraw/zinc/33/36/84/912333684.db2.gz GQSAZTJHJYULSW-SNVBAGLBSA-N 1 0 286.353 1.160 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(C(N)=O)CC1 ZINC001173211567 912334817 /nfs/dbraw/zinc/33/48/17/912334817.db2.gz SWFMZAUOPMRWFK-VIFPVBQESA-N 1 0 263.297 1.133 20 5 CDBDRO Cc1cnc(-n2ccnc2[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001167055834 894062512 /nfs/dbraw/zinc/06/25/12/894062512.db2.gz MMAWLLOLWZRLRH-LLVKDONJSA-N 1 0 287.323 1.951 20 5 CDBDRO CC[N+](C)(C)Cc1ccccc1N[C@H]1CCC(=O)NC1=O ZINC001167569578 896828837 /nfs/dbraw/zinc/82/88/37/896828837.db2.gz SQGCZVXJPVHAOL-AWEZNQCLSA-O 1 0 290.387 1.500 20 5 CDBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCN1C ZINC000695903003 900069775 /nfs/dbraw/zinc/06/97/75/900069775.db2.gz DWIQOAHNSXZADL-SMDDNHRTSA-N 1 0 278.356 1.641 20 5 CDBDRO COC(=O)[C@@H](O[C@H](C)C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001223641746 901812841 /nfs/dbraw/zinc/81/28/41/901812841.db2.gz COPNYEOKJOQYJI-MFKMUULPSA-N 1 0 296.323 1.776 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1NC(=N)SCC[NH3+] ZINC001167915583 902239407 /nfs/dbraw/zinc/23/94/07/902239407.db2.gz UXAXZWBGDHKQPZ-UHFFFAOYSA-N 1 0 298.324 1.420 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000714058933 906556938 /nfs/dbraw/zinc/55/69/38/906556938.db2.gz OOMBPANKPZUFLB-QMMMGPOBSA-N 1 0 269.276 1.319 20 5 CDBDRO [NH3+]C1CN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172897984 912037428 /nfs/dbraw/zinc/03/74/28/912037428.db2.gz FRELBNLQPFTHRR-CYBMUJFWSA-N 1 0 261.325 1.485 20 5 CDBDRO O=C(NCCCCCC[NH2+]CCCF)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458476 915447558 /nfs/dbraw/zinc/44/75/58/915447558.db2.gz IPEDWNIXPRSZFN-VXGBXAGGSA-N 1 0 289.351 1.277 20 5 CDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cocn1 ZINC001124787654 936337155 /nfs/dbraw/zinc/33/71/55/936337155.db2.gz HSFZJBGWWOIKLZ-UHFFFAOYSA-N 1 0 290.279 1.102 20 5 CDBDRO CCC1(Nc2ncc3cccc([N+](=O)[O-])c3n2)C[NH2+]C1 ZINC001168583015 919289352 /nfs/dbraw/zinc/28/93/52/919289352.db2.gz CVBCERXYXFSMHA-UHFFFAOYSA-N 1 0 273.296 1.702 20 5 CDBDRO COC(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000689588625 936775664 /nfs/dbraw/zinc/77/56/64/936775664.db2.gz VASIFVMMULRCSD-UHFFFAOYSA-N 1 0 267.285 1.383 20 5 CDBDRO CC(C)(O)C1C[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000780280064 936780014 /nfs/dbraw/zinc/78/00/14/936780014.db2.gz SUYJJXDDLYBOAV-CYBMUJFWSA-N 1 0 280.324 1.331 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000706538404 923067022 /nfs/dbraw/zinc/06/70/22/923067022.db2.gz IJFPBINXWDNQEE-ZETCQYMHSA-N 1 0 271.704 1.715 20 5 CDBDRO CSCC[C@@H]([NH3+])C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118199424 923901303 /nfs/dbraw/zinc/90/13/03/923901303.db2.gz LIRZRQFPAMKVGV-GFCCVEGCSA-N 1 0 295.364 1.517 20 5 CDBDRO COc1nc(C)c(N[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC001163777384 924193176 /nfs/dbraw/zinc/19/31/76/924193176.db2.gz VXBGTQZFBZWIBT-QMMMGPOBSA-N 1 0 268.317 1.669 20 5 CDBDRO C[NH+](C)C1(C)CCC(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC001152151658 924381991 /nfs/dbraw/zinc/38/19/91/924381991.db2.gz OGLZODUSXJOOHS-UHFFFAOYSA-N 1 0 295.343 1.311 20 5 CDBDRO COC(=O)c1cc(O)c(O[C@H](C)C[N+](C)(C)C)c(OC)c1 ZINC001231349284 925716599 /nfs/dbraw/zinc/71/65/99/925716599.db2.gz LQZCNFVLINCFLH-SNVBAGLBSA-O 1 0 298.359 1.661 20 5 CDBDRO Cc1cccc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)c1[N+](=O)[O-] ZINC001168814292 927468919 /nfs/dbraw/zinc/46/89/19/927468919.db2.gz ABKXVVTXPFJKHL-LLVKDONJSA-N 1 0 272.308 1.905 20 5 CDBDRO CC1(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168978825 927564785 /nfs/dbraw/zinc/56/47/85/927564785.db2.gz UNFHPLTVQOZVNN-RYUDHWBXSA-N 1 0 256.346 1.838 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C[C@@H](O)c2cccnc2)C1 ZINC001168979164 927565839 /nfs/dbraw/zinc/56/58/39/927565839.db2.gz WQYJHAVSGLDDBH-WCFLWFBJSA-N 1 0 265.313 1.150 20 5 CDBDRO COc1nccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168979462 927567924 /nfs/dbraw/zinc/56/79/24/927567924.db2.gz YFJLUGZYVWKNSI-ZJUUUORDSA-N 1 0 266.301 1.020 20 5 CDBDRO O=c1[nH]cccc1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168980323 927568044 /nfs/dbraw/zinc/56/80/44/927568044.db2.gz CVWUIZYLOMMQAV-MWLCHTKSSA-N 1 0 251.286 1.322 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2)C1 ZINC001168983293 927570658 /nfs/dbraw/zinc/57/06/58/927570658.db2.gz JICDMSHAUOBZPA-OAGGEKHMSA-N 1 0 292.379 1.873 20 5 CDBDRO COC(=O)C1CC(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168985403 927575710 /nfs/dbraw/zinc/57/57/10/927575710.db2.gz FBDRDMJOAZYXCE-XKGSQUFQSA-N 1 0 270.329 1.221 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2ccc(O)cc2)C1 ZINC001168964511 927587862 /nfs/dbraw/zinc/58/78/62/927587862.db2.gz ULMXTPUXFYUYJK-QWHCGFSZSA-N 1 0 264.325 1.970 20 5 CDBDRO C[C@H](CN1CCCC1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968161 927591285 /nfs/dbraw/zinc/59/12/85/927591285.db2.gz XBLQZJSKCZAICP-AGIUHOORSA-N 1 0 255.362 1.506 20 5 CDBDRO COC(=O)N1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168995079 927601058 /nfs/dbraw/zinc/60/10/58/927601058.db2.gz RFOPWMOVAVIQRH-JQWIXIFHSA-N 1 0 285.344 1.252 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2ccncn2)C1 ZINC001169003115 927606310 /nfs/dbraw/zinc/60/63/10/927606310.db2.gz NPPCCUKXFXGONE-PWSUYJOCSA-N 1 0 250.302 1.054 20 5 CDBDRO CC(C)N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169007119 927611844 /nfs/dbraw/zinc/61/18/44/927611844.db2.gz LIFHQXCXZXYBQA-QWHCGFSZSA-N 1 0 255.362 1.458 20 5 CDBDRO C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006383 927612019 /nfs/dbraw/zinc/61/20/19/927612019.db2.gz HGFONNCCKCABHS-XQHKEYJVSA-N 1 0 255.362 1.362 20 5 CDBDRO C[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@]1(C)O ZINC001169010920 927617887 /nfs/dbraw/zinc/61/78/87/927617887.db2.gz GEAZCCMZVDQICX-VOAKCMCISA-N 1 0 256.346 1.525 20 5 CDBDRO C[N@H+](CC(=O)OC(C)(C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011934 927618180 /nfs/dbraw/zinc/61/81/80/927618180.db2.gz NTWLCVZNTMZUDU-MNOVXSKESA-N 1 0 272.345 1.705 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCC2CCC(O)CC2)C1 ZINC001168988439 927626680 /nfs/dbraw/zinc/62/66/80/927626680.db2.gz SFXNMVJPAHMRNW-DKNRTOFZSA-N 1 0 270.373 1.963 20 5 CDBDRO Cc1cc(C[N@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)n(C)n1 ZINC001169027495 927632873 /nfs/dbraw/zinc/63/28/73/927632873.db2.gz QJACGIQJWIVYAD-NEPJUHHUSA-N 1 0 266.345 1.606 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(CC(F)(F)F)CC2)C1 ZINC001169033842 927641556 /nfs/dbraw/zinc/64/15/56/927641556.db2.gz DJGPIZLMISIIPD-QWRGUYRKSA-N 1 0 295.305 1.612 20 5 CDBDRO COC(=O)C[N@H+](C1CCCC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039306 927651066 /nfs/dbraw/zinc/65/10/66/927651066.db2.gz PMECEFRTQXNBAN-AAEUAGOBSA-N 1 0 284.356 1.849 20 5 CDBDRO CC(C)CC(=O)N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169039801 927653878 /nfs/dbraw/zinc/65/38/78/927653878.db2.gz UBKYSVSUPVGNMW-KGLIPLIRSA-N 1 0 297.399 1.622 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](n3ccnn3)C2)C1 ZINC001169044532 927656937 /nfs/dbraw/zinc/65/69/37/927656937.db2.gz IEQYNFHDKQPPSQ-AGIUHOORSA-N 1 0 279.344 1.360 20 5 CDBDRO O=C1CCC[C@]2(CCC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)N1 ZINC001169018253 927657288 /nfs/dbraw/zinc/65/72/88/927657288.db2.gz AEFMDYNVZAUEAD-KCQAQPDRSA-N 1 0 295.383 1.567 20 5 CDBDRO O=C1NCC[C@]12CCC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169023505 927663219 /nfs/dbraw/zinc/66/32/19/927663219.db2.gz VBSVFVVGQJCIND-DYEKYZERSA-N 1 0 281.356 1.034 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H](N2CC[NH+](C3CCOCC3)CC2)C1 ZINC001169024381 927663403 /nfs/dbraw/zinc/66/34/03/927663403.db2.gz GWBDQDQZCIMOMZ-ZFWWWQNUSA-N 1 0 297.399 1.228 20 5 CDBDRO C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]1CCC2(C1)OCCO2 ZINC001169050027 927668869 /nfs/dbraw/zinc/66/88/69/927668869.db2.gz YCJIUPPXDBLUNY-JHJVBQTASA-N 1 0 284.356 1.659 20 5 CDBDRO C[C@H]([NH3+])c1ccn(-c2c(Cl)nccc2[N+](=O)[O-])n1 ZINC001169230834 927838693 /nfs/dbraw/zinc/83/86/93/927838693.db2.gz WLHZHURGLGJHPW-LURJTMIESA-N 1 0 267.676 1.849 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1-n1ccc([C@H](C)[NH3+])n1 ZINC001169232679 927847207 /nfs/dbraw/zinc/84/72/07/927847207.db2.gz IJXWIUOPCFRMGS-QMMMGPOBSA-N 1 0 290.279 1.587 20 5 CDBDRO [NH3+]Cc1ccn(-c2cc([N+](=O)[O-])c3nccn3c2)c1 ZINC001169726291 928348606 /nfs/dbraw/zinc/34/86/06/928348606.db2.gz QOJNVCAXNSITAH-UHFFFAOYSA-N 1 0 257.253 1.492 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC001157262981 929400151 /nfs/dbraw/zinc/40/01/51/929400151.db2.gz ZMBSUPKRURIZIV-BXKDBHETSA-N 1 0 280.303 1.659 20 5 CDBDRO O=[N+]([O-])/C=C/c1ccc(Cl)cc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001170782310 929980305 /nfs/dbraw/zinc/98/03/05/929980305.db2.gz MRTQKTWKKYZADG-ODCULLNFSA-N 1 0 297.742 1.580 20 5 CDBDRO C[C@@H]([NH3+])CCNc1nccc(Br)c1[N+](=O)[O-] ZINC001170891098 930685358 /nfs/dbraw/zinc/68/53/58/930685358.db2.gz TYSVHYADKFEPTH-ZCFIWIBFSA-N 1 0 289.133 1.902 20 5 CDBDRO Cc1c(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000886220304 930827925 /nfs/dbraw/zinc/82/79/25/930827925.db2.gz GGCJMGLGKAHRLP-KGLIPLIRSA-N 1 0 294.351 1.923 20 5 CDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(NCC[C@@H](C)[NH3+])n1 ZINC001159774771 930831175 /nfs/dbraw/zinc/83/11/75/930831175.db2.gz QIFSYMWTHNSEMO-RXMQYKEDSA-N 1 0 291.764 1.909 20 5 CDBDRO CCOC(=O)CN(CC[NH3+])c1cc([N+](=O)[O-])cc(C)c1F ZINC001170996653 931209208 /nfs/dbraw/zinc/20/92/08/931209208.db2.gz YADOAYHYHPDMTL-UHFFFAOYSA-N 1 0 299.302 1.371 20 5 CDBDRO [NH3+]C/C=C/CNc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001160976857 932274862 /nfs/dbraw/zinc/27/48/62/932274862.db2.gz LJHDZKNRWLQVBV-OWOJBTEDSA-N 1 0 259.269 1.465 20 5 CDBDRO CC[C@@]1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]C1 ZINC001118082071 937588338 /nfs/dbraw/zinc/58/83/38/937588338.db2.gz MDGWMCRCUWFARI-OAHLLOKOSA-N 1 0 289.335 1.827 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2C[C@H](F)C[NH2+]2)c(F)c1 ZINC001155033277 937623782 /nfs/dbraw/zinc/62/37/82/937623782.db2.gz GCRJAMBKWWFBCF-BQBZGAKWSA-N 1 0 258.228 1.241 20 5 CDBDRO [NH3+]Cc1ccnn1-c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001155125286 937639192 /nfs/dbraw/zinc/63/91/92/937639192.db2.gz NINXZXAJFGGTKL-UHFFFAOYSA-N 1 0 289.082 1.336 20 5 CDBDRO CSc1cccc(C(=O)NOCC[NH+](C)C)c1[N+](=O)[O-] ZINC001118703628 937656888 /nfs/dbraw/zinc/65/68/88/937656888.db2.gz SWLOFWUSTFRZSL-UHFFFAOYSA-N 1 0 299.352 1.540 20 5 CDBDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC001120499778 937804446 /nfs/dbraw/zinc/80/44/46/937804446.db2.gz GNESOZVBSJGFQB-OLZOCXBDSA-N 1 0 282.340 1.767 20 5 CDBDRO COc1ncnc(NCC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001156379433 938361207 /nfs/dbraw/zinc/36/12/07/938361207.db2.gz VFGQAEYCVFWYLT-SNVBAGLBSA-N 1 0 295.343 1.537 20 5 CDBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)CC[NH2+]1 ZINC001156689081 938406220 /nfs/dbraw/zinc/40/62/20/938406220.db2.gz MKEXACXHKQSWBK-SNVBAGLBSA-N 1 0 272.308 1.941 20 5 CDBDRO Cc1nc(NC2(C)CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001157406043 938487668 /nfs/dbraw/zinc/48/76/68/938487668.db2.gz WPFVVCIZHHWZDN-UHFFFAOYSA-N 1 0 251.290 1.247 20 5 CDBDRO Cc1ccnc(N[C@H]2C[NH2+]CC[C@H]2F)c1[N+](=O)[O-] ZINC001157445345 938492704 /nfs/dbraw/zinc/49/27/04/938492704.db2.gz FOFIYNSEEBBJQK-BDAKNGLRSA-N 1 0 254.265 1.410 20 5 CDBDRO Nc1cc(N2CCCC[C@]23CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001157471843 938498548 /nfs/dbraw/zinc/49/85/48/938498548.db2.gz OTTUWSLUCCVJRR-CQSZACIVSA-N 1 0 291.355 1.685 20 5 CDBDRO COc1cnc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)c([N+](=O)[O-])c1 ZINC001157990145 938572920 /nfs/dbraw/zinc/57/29/20/938572920.db2.gz SDYMXLQBIWBMEM-SECBINFHSA-N 1 0 289.295 1.000 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1nc(Cl)cc(C)c1[N+](=O)[O-] ZINC001158129113 938586219 /nfs/dbraw/zinc/58/62/19/938586219.db2.gz OVDYJJCDWXMWMJ-UHFFFAOYSA-N 1 0 296.718 1.342 20 5 CDBDRO C[C@@H]1CN(c2nc(Cl)ncc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC001158174017 938590444 /nfs/dbraw/zinc/59/04/44/938590444.db2.gz XYJRPBYLZRTORR-RNFRBKRXSA-N 1 0 271.708 1.225 20 5 CDBDRO CCN(c1ccc([N+](=O)[O-])c(OC)n1)[C@@H]1CCC[NH2+]C1 ZINC001158199842 938594142 /nfs/dbraw/zinc/59/41/42/938594142.db2.gz GOKYKDRKOKEVCA-SNVBAGLBSA-N 1 0 280.328 1.577 20 5 CDBDRO CCN(c1nc(OC)nc(C)c1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC001158203652 938594596 /nfs/dbraw/zinc/59/45/96/938594596.db2.gz BHDHFOREWXKCSM-SNVBAGLBSA-N 1 0 295.343 1.280 20 5 CDBDRO Cc1nc(Cl)nc(-n2ccc([C@@H](C)[NH3+])n2)c1[N+](=O)[O-] ZINC001158346241 938611818 /nfs/dbraw/zinc/61/18/18/938611818.db2.gz ULBHOWOECZJVIJ-RXMQYKEDSA-N 1 0 282.691 1.552 20 5 CDBDRO CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(OC)n2)C(C)(C)C1 ZINC001158560637 938636535 /nfs/dbraw/zinc/63/65/35/938636535.db2.gz FFMYOOIQULUMTD-UHFFFAOYSA-N 1 0 295.343 1.314 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])c(NCC23CC[NH+](CC2)CC3)c1 ZINC001158824578 938666677 /nfs/dbraw/zinc/66/66/77/938666677.db2.gz QDLSRLDLQLJCEM-UHFFFAOYSA-N 1 0 278.312 1.126 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[NH2+]C4(CC4)C3)c2c1 ZINC001158936353 938680109 /nfs/dbraw/zinc/68/01/09/938680109.db2.gz DFGUTAVCLKDWTE-UHFFFAOYSA-N 1 0 285.307 1.480 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(NCCOCCOCC[NH3+])n1 ZINC001159445681 938729046 /nfs/dbraw/zinc/72/90/46/938729046.db2.gz RZABJRXPEMXEIE-UHFFFAOYSA-N 1 0 298.343 1.010 20 5 CDBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001159677619 938744628 /nfs/dbraw/zinc/74/46/28/938744628.db2.gz LGDNPCVSSGTBHH-JQWIXIFHSA-N 1 0 288.307 1.135 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001159748338 938750266 /nfs/dbraw/zinc/75/02/66/938750266.db2.gz MSPIWMXLBQFOSE-GFCCVEGCSA-N 1 0 284.316 1.246 20 5 CDBDRO C[NH+](C)CCCCNc1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001161725384 938926391 /nfs/dbraw/zinc/92/63/91/938926391.db2.gz YCUUNPOCROQBEY-UHFFFAOYSA-N 1 0 278.316 1.571 20 5 CDBDRO CCOc1cc([N+](=O)[O-])ccc1-n1cnc(C[NH3+])c1 ZINC001162301698 938975480 /nfs/dbraw/zinc/97/54/80/938975480.db2.gz APHNEWNRVHKIJA-UHFFFAOYSA-N 1 0 262.269 1.638 20 5 CDBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1nccnc1[N+](=O)[O-] ZINC001162454519 939057511 /nfs/dbraw/zinc/05/75/11/939057511.db2.gz OQHPWPQOWVQUQQ-ZJUUUORDSA-N 1 0 265.317 1.432 20 5 CDBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1nccnc1[N+](=O)[O-] ZINC001162454516 939057843 /nfs/dbraw/zinc/05/78/43/939057843.db2.gz OQHPWPQOWVQUQQ-NXEZZACHSA-N 1 0 265.317 1.432 20 5 CDBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1nccc(N)c1[N+](=O)[O-] ZINC001162457636 939060100 /nfs/dbraw/zinc/06/01/00/939060100.db2.gz QAPCXNBYZUVCDS-ZJUUUORDSA-N 1 0 279.344 1.620 20 5 CDBDRO O=[N+]([O-])c1cncc(Cl)c1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162477001 939064782 /nfs/dbraw/zinc/06/47/82/939064782.db2.gz AOJMMLZATMVKSU-BQBZGAKWSA-N 1 0 274.683 1.177 20 5 CDBDRO O=[N+]([O-])c1c(F)cc(F)cc1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162478242 939065596 /nfs/dbraw/zinc/06/55/96/939065596.db2.gz VANMOBZGKDNKRK-YUMQZZPRSA-N 1 0 275.230 1.985 20 5 CDBDRO COc1nc(Nc2ccc(C[NH3+])c(F)c2)ncc1[N+](=O)[O-] ZINC001162522794 939077212 /nfs/dbraw/zinc/07/72/12/939077212.db2.gz PHWSBECYINFNGU-UHFFFAOYSA-N 1 0 293.258 1.735 20 5 CDBDRO COc1ccc(NC[C@]2(F)CCCC[NH2+]C2)nc1[N+](=O)[O-] ZINC001162579331 939091952 /nfs/dbraw/zinc/09/19/52/939091952.db2.gz IKWFJWSVRUXDPL-ZDUSSCGKSA-N 1 0 298.318 1.892 20 5 CDBDRO [NH3+]Cc1ccnn1-c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001162585715 939094109 /nfs/dbraw/zinc/09/41/09/939094109.db2.gz KXRINHFPFFFBRK-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])cc1NC[C@]1(F)CCCC[NH2+]C1 ZINC001162582972 939094506 /nfs/dbraw/zinc/09/45/06/939094506.db2.gz JBFHUASGFCVSNB-LBPRGKRZSA-N 1 0 284.291 1.122 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)nc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)c1 ZINC001162789968 939139695 /nfs/dbraw/zinc/13/96/95/939139695.db2.gz OXOLOPZAMOTQAR-UJNFCWOMSA-N 1 0 280.715 1.829 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)c(Cl)c1 ZINC001162790249 939140809 /nfs/dbraw/zinc/14/08/09/939140809.db2.gz RLMNRMXGKPKHMS-OVYXKVPISA-N 1 0 280.715 1.829 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)cn2ccnc12 ZINC001163262673 939235160 /nfs/dbraw/zinc/23/51/60/939235160.db2.gz HJZVMBCEWNRYRT-USWWRNFRSA-N 1 0 287.323 1.652 20 5 CDBDRO [NH3+]C1(CNc2cc([N+](=O)[O-])cc(Cl)n2)CCC1 ZINC001163322362 939246958 /nfs/dbraw/zinc/24/69/58/939246958.db2.gz TVKNQJQDPKXSKT-UHFFFAOYSA-N 1 0 256.693 1.937 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N[C@@H](C)C[NH+](C)C ZINC001163783066 939330415 /nfs/dbraw/zinc/33/04/15/939330415.db2.gz XURQXQCTRSFOTM-QMMMGPOBSA-N 1 0 282.300 1.138 20 5 CDBDRO COc1cnc(N2C[C@@H](C)CC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001164069371 939404592 /nfs/dbraw/zinc/40/45/92/939404592.db2.gz JWINVHVJXMWASW-VHSXEESVSA-N 1 0 280.328 1.562 20 5 CDBDRO COc1nc(N2C[C@@H](C)CC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC001164071551 939404940 /nfs/dbraw/zinc/40/49/40/939404940.db2.gz UEZYMFOLFAJUKW-UWVGGRQHSA-N 1 0 280.328 1.562 20 5 CDBDRO CC[N+](C)(C)Cc1ccccc1NC[C@@H]1CCC(=O)N1 ZINC001164166661 939424345 /nfs/dbraw/zinc/42/43/45/939424345.db2.gz IKSPUZJSUNPBMT-AWEZNQCLSA-O 1 0 276.404 1.973 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(-n2ncc3c2CC[NH2+]C3)n1 ZINC001165218662 939526505 /nfs/dbraw/zinc/52/65/05/939526505.db2.gz ICIWQPPTXKKXDD-UHFFFAOYSA-N 1 0 273.296 1.438 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CCC3(CCCC[NH2+]3)CC2)c1 ZINC001165245944 939532547 /nfs/dbraw/zinc/53/25/47/939532547.db2.gz CZGKWSNYUGZZIC-UHFFFAOYSA-N 1 0 292.339 1.341 20 5 CDBDRO [NH3+][C@]12C[C@H]1CN(c1ncnc3cc([N+](=O)[O-])ccc31)C2 ZINC001165314825 939544583 /nfs/dbraw/zinc/54/45/83/939544583.db2.gz QLLCZDDLTDMXPW-SDBXPKJASA-N 1 0 271.280 1.075 20 5 CDBDRO [NH3+]C1CCN(c2ncnc3cc([N+](=O)[O-])ccc32)CC1 ZINC001166662139 939623993 /nfs/dbraw/zinc/62/39/93/939623993.db2.gz JMQUYFYMYIYHOI-UHFFFAOYSA-N 1 0 273.296 1.466 20 5 CDBDRO C[C@@H]1CC[C@H](C[NH3+])CN1c1ncc(F)cc1[N+](=O)[O-] ZINC000401159066 940864115 /nfs/dbraw/zinc/86/41/15/940864115.db2.gz KCDNUWXVAPAQPH-RKDXNWHRSA-N 1 0 268.292 1.693 20 5 CDBDRO CC(=O)c1cc(C)cc([N+](=O)[O-])c1O[C@H]1CC[NH2+]C1 ZINC001218181285 941042386 /nfs/dbraw/zinc/04/23/86/941042386.db2.gz FPPDLFGNXJMYMR-JTQLQIEISA-N 1 0 264.281 1.847 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@H]1CCC[NH2+]C1 ZINC001218283194 941051161 /nfs/dbraw/zinc/05/11/61/941051161.db2.gz GXUTWTUETILDII-JTQLQIEISA-N 1 0 294.307 1.821 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1ccc(N)c([N+](=O)[O-])c1 ZINC001218425154 941216101 /nfs/dbraw/zinc/21/61/01/941216101.db2.gz QTYVRGQEWNAQOI-PRHODGIISA-N 1 0 251.286 1.554 20 5 CDBDRO CC(=O)Nc1nc(CO[C@@H](C)C[N+](C)(C)C)cs1 ZINC001222880133 941638599 /nfs/dbraw/zinc/63/85/99/941638599.db2.gz LWAXZCACPZNWJL-VIFPVBQESA-O 1 0 272.394 1.713 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CO[C@@H](C[N+](=O)[O-])c1cccnc1 ZINC001224701336 941784300 /nfs/dbraw/zinc/78/43/00/941784300.db2.gz FKPUOVRVUMXBJF-KBPBESRZSA-N 1 0 279.340 1.900 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C)OCC[N+](C)(C)C ZINC001224775216 941790084 /nfs/dbraw/zinc/79/00/84/941790084.db2.gz JVATVDPOVDMTME-JTQLQIEISA-N 1 0 271.341 1.211 20 5 CDBDRO C[N+](C)(C)CCO[C@@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC001224775581 941790341 /nfs/dbraw/zinc/79/03/41/941790341.db2.gz MURIDHBKTRKNKN-CQSZACIVSA-N 1 0 291.371 1.037 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCC1Cc2ccccc2C1 ZINC001224801862 941794704 /nfs/dbraw/zinc/79/47/04/941794704.db2.gz LBWKZSUOVJFHKJ-MRXNPFEDSA-N 1 0 292.399 1.402 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2F)C1 ZINC001225941236 941932155 /nfs/dbraw/zinc/93/21/55/941932155.db2.gz FAXKHXYEHQTEDS-LLVKDONJSA-N 1 0 284.287 1.833 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc([N+](=O)[O-])cc1C(N)=O ZINC001226173439 941962842 /nfs/dbraw/zinc/96/28/42/941962842.db2.gz SJAFAJHBHQCDRV-SECBINFHSA-O 1 0 282.320 1.167 20 5 CDBDRO CSc1cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001226237708 941971817 /nfs/dbraw/zinc/97/18/17/941971817.db2.gz HZKSMYPRMMTUEJ-LLVKDONJSA-N 1 0 284.401 1.771 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2c(O)cccc2[N+](=O)[O-])C1 ZINC001226334529 941989001 /nfs/dbraw/zinc/98/90/01/941989001.db2.gz WGIVHXMUBRQIBM-SECBINFHSA-N 1 0 252.270 1.773 20 5 CDBDRO CCOC(=O)c1cn(C)nc1O[C@H](C)C[N+](C)(C)C ZINC001226444011 942005551 /nfs/dbraw/zinc/00/55/51/942005551.db2.gz KNRMYHKVDZIHIV-SNVBAGLBSA-N 1 0 270.353 1.070 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1O[C@@H]1CCC[N@@H+](C)C1 ZINC001226760558 942064872 /nfs/dbraw/zinc/06/48/72/942064872.db2.gz BNVXCSGPRTVKKM-LLVKDONJSA-N 1 0 251.286 1.771 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001330584830 942073286 /nfs/dbraw/zinc/07/32/86/942073286.db2.gz OAKQIDGWKCFWRL-LBPRGKRZSA-N 1 0 263.297 1.435 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(OC2CC[NH+](C)CC2)n1 ZINC001227066907 942126980 /nfs/dbraw/zinc/12/69/80/942126980.db2.gz QCMOAPGJOPRKFD-UHFFFAOYSA-N 1 0 251.286 1.771 20 5 CDBDRO COC(=O)c1ccc(O[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001227294645 942164597 /nfs/dbraw/zinc/16/45/97/942164597.db2.gz GDQSIYONHKWADX-VIFPVBQESA-N 1 0 282.296 1.710 20 5 CDBDRO Cc1noc2ncnc(O[C@@H](C)C[N+](C)(C)C)c12 ZINC001228308043 942295168 /nfs/dbraw/zinc/29/51/68/942295168.db2.gz VEBXOOBNZWSLKV-QMMMGPOBSA-N 1 0 251.310 1.400 20 5 CDBDRO CC(=O)OCCc1ccc(O)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001229620379 942500574 /nfs/dbraw/zinc/50/05/74/942500574.db2.gz MJHVZNIWDBRGBW-LBPRGKRZSA-O 1 0 296.387 1.971 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001230315173 942606080 /nfs/dbraw/zinc/60/60/80/942606080.db2.gz KHSVCLIRAHWGSN-SECBINFHSA-N 1 0 284.292 1.977 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC001263172486 943774670 /nfs/dbraw/zinc/77/46/70/943774670.db2.gz XFOPRSDCJRPPJW-RKDXNWHRSA-N 1 0 295.364 1.878 20 5 CDBDRO CC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001263197118 943783002 /nfs/dbraw/zinc/78/30/02/943783002.db2.gz NBQZHIOOACJIEN-GZMMTYOYSA-N 1 0 251.286 1.509 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cc(F)c(C(N)=O)c(F)c1 ZINC001234593879 943906924 /nfs/dbraw/zinc/90/69/24/943906924.db2.gz SUKCNNYFSGSXIL-MRVPVSSYSA-O 1 0 273.303 1.537 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000382435954 943938490 /nfs/dbraw/zinc/93/84/90/943938490.db2.gz VREPISNNJWIRTB-NXEZZACHSA-N 1 0 250.302 1.980 20 5 CDBDRO C[N@@H+]1C[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001303986137 944290513 /nfs/dbraw/zinc/29/05/13/944290513.db2.gz OUOMTHABPYPJBG-LBPRGKRZSA-N 1 0 292.339 1.247 20 5 CDBDRO CN1CC([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254466231 947451650 /nfs/dbraw/zinc/45/16/50/947451650.db2.gz ZSLWGNMOXQNOSP-UHFFFAOYSA-N 1 0 290.367 1.467 20 5 CDBDRO CC(C)C[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254574537 947533622 /nfs/dbraw/zinc/53/36/22/947533622.db2.gz IBAJXDXXHCHUJN-JSGCOSHPSA-N 1 0 291.351 1.552 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCCn1cncn1)C2 ZINC001254588002 947542613 /nfs/dbraw/zinc/54/26/13/947542613.db2.gz UOVVLXSDYIRDGH-CYBMUJFWSA-N 1 0 287.323 1.333 20 5 CDBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596058 947545262 /nfs/dbraw/zinc/54/52/62/947545262.db2.gz BHWWBUPVZYKINQ-GMXABZIVSA-N 1 0 276.336 1.765 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001246524532 948225498 /nfs/dbraw/zinc/22/54/98/948225498.db2.gz GNCCSQKSOIASNI-WQAKAFBOSA-N 1 0 267.304 1.507 20 5 CDBDRO CN(C1C[NH2+]C1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246834957 948465413 /nfs/dbraw/zinc/46/54/13/948465413.db2.gz WPWKYSLUIMQFCE-CYBMUJFWSA-N 1 0 275.352 1.746 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001326396161 954359311 /nfs/dbraw/zinc/35/93/11/954359311.db2.gz DPZMQYRQONCSEJ-ZJUUUORDSA-N 1 0 292.339 1.636 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH3+] ZINC001340129378 956700093 /nfs/dbraw/zinc/70/00/93/956700093.db2.gz VGZWJOPAHUSKHI-UHFFFAOYSA-N 1 0 283.353 1.785 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331718766 957224093 /nfs/dbraw/zinc/22/40/93/957224093.db2.gz CXCPAKYGIQFVQG-VIFPVBQESA-N 1 0 278.312 1.357 20 5 CDBDRO CCOC(=O)N1CCC([C@H](C)[NH2+]CC[N+](=O)[O-])CC1 ZINC001334111637 958849036 /nfs/dbraw/zinc/84/90/36/958849036.db2.gz KXFQHSQZYZEBFF-JTQLQIEISA-N 1 0 273.333 1.110 20 5 CDBDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]CC[N+](=O)[O-])C1CC1 ZINC001334767948 959341485 /nfs/dbraw/zinc/34/14/85/959341485.db2.gz QGTBQPQEBADWPT-JTQLQIEISA-N 1 0 273.333 1.156 20 5 CDBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[N@@H+]1C1CCCC1 ZINC001336725152 960509146 /nfs/dbraw/zinc/50/91/46/960509146.db2.gz BORPHVDFMQSNNF-LLVKDONJSA-N 1 0 291.355 1.838 20 5 CDBDRO CO[C@H](C)[C@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001336815070 960620984 /nfs/dbraw/zinc/62/09/84/960620984.db2.gz VXYKMGJEUAXMJA-CWSCBRNRSA-N 1 0 268.313 1.641 20 5 CDBDRO [NH3+][C@H]1C[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C12CCC2 ZINC001341654838 963498969 /nfs/dbraw/zinc/49/89/69/963498969.db2.gz DMKBBIFBPKEDAE-WDEREUQCSA-N 1 0 293.298 1.734 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001342362926 963721680 /nfs/dbraw/zinc/72/16/80/963721680.db2.gz LLCSQKIZOZFLFI-DGFQIJBJSA-N 1 0 289.335 1.646 20 5 CDBDRO C[C@H](CNc1ccc2nonc2c1[N+](=O)[O-])C[NH+](C)C ZINC001343037384 963889307 /nfs/dbraw/zinc/88/93/07/963889307.db2.gz BVIVPUNOTIEAFJ-MRVPVSSYSA-N 1 0 279.300 1.741 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001348555126 966057251 /nfs/dbraw/zinc/05/72/51/966057251.db2.gz JWOJITWBVNLATJ-NSHDSACASA-N 1 0 294.355 1.435 20 5 CDBDRO CC1(C)C[NH2+][C@@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001348941265 966234051 /nfs/dbraw/zinc/23/40/51/966234051.db2.gz HFBVAGRDTQBMGF-GFCCVEGCSA-N 1 0 275.308 1.435 20 5 CDBDRO COC(=O)c1ccc(OC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001349113314 966269998 /nfs/dbraw/zinc/26/99/98/966269998.db2.gz NMBJHBXGVNOUKW-SNVBAGLBSA-N 1 0 294.307 1.760 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001578638513 1171968707 /nfs/dbraw/zinc/96/87/07/1171968707.db2.gz NXZAUFVMBXQSEJ-ZCFIWIBFSA-N 1 0 289.694 1.725 20 5 CDBDRO CC[N@H+](CCNC(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000601036115 342459218 /nfs/dbraw/zinc/45/92/18/342459218.db2.gz QREBDKYGJNBCCC-UHFFFAOYSA-N 1 0 295.314 1.948 20 5 CDBDRO Cc1cccc(NCC[N@@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000599199824 343979688 /nfs/dbraw/zinc/97/96/88/343979688.db2.gz RNDNMDDHRFPSCD-NSHDSACASA-N 1 0 265.313 1.382 20 5 CDBDRO CC(=O)NCC[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000564929285 365547216 /nfs/dbraw/zinc/54/72/16/365547216.db2.gz RXZSZJFCSGNREY-UHFFFAOYSA-N 1 0 281.312 1.042 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000070172193 361738378 /nfs/dbraw/zinc/73/83/78/361738378.db2.gz QEQVPUBVVYKKRE-UWVGGRQHSA-N 1 0 295.314 1.933 20 5 CDBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000294961923 199271390 /nfs/dbraw/zinc/27/13/90/199271390.db2.gz WTULFTJSMPZYEI-GFCCVEGCSA-N 1 0 277.324 1.857 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135359735 342070647 /nfs/dbraw/zinc/07/06/47/342070647.db2.gz UWDHNKQJGNKWDJ-ZYHUDNBSSA-N 1 0 277.324 1.476 20 5 CDBDRO NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000048575094 342094500 /nfs/dbraw/zinc/09/45/00/342094500.db2.gz QBYQIQMBEWEXGH-UHFFFAOYSA-N 1 0 277.324 1.825 20 5 CDBDRO Cc1ccnc(N2CC[C@H]3CC[NH2+][C@@H]3C2)c1[N+](=O)[O-] ZINC000591438158 342632045 /nfs/dbraw/zinc/63/20/45/342632045.db2.gz MBMHBPNREWRVTI-GHMZBOCLSA-N 1 0 262.313 1.486 20 5 CDBDRO Cc1nc(N2CCC[C@@]3(CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC000591440770 342632230 /nfs/dbraw/zinc/63/22/30/342632230.db2.gz NKODZZRDSPDFNO-ZDUSSCGKSA-N 1 0 277.328 1.273 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1[NH2+]CC1(C)C ZINC000591668457 342641170 /nfs/dbraw/zinc/64/11/70/342641170.db2.gz BJMAIGKXTUVKFF-GFCCVEGCSA-N 1 0 277.324 1.551 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000591672881 342641458 /nfs/dbraw/zinc/64/14/58/342641458.db2.gz QDTJTGKVQGJWFA-LBPRGKRZSA-N 1 0 293.323 1.218 20 5 CDBDRO Cc1cccc(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000592246904 342681158 /nfs/dbraw/zinc/68/11/58/342681158.db2.gz PJOZPIOBPGDTSL-CYBMUJFWSA-N 1 0 291.351 1.973 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000592215182 342681400 /nfs/dbraw/zinc/68/14/00/342681400.db2.gz ZEDVHBBJVHBMLK-GHMZBOCLSA-N 1 0 294.355 1.562 20 5 CDBDRO CNc1ccc(C(=O)N[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592330538 342685325 /nfs/dbraw/zinc/68/53/25/342685325.db2.gz RAYPUSRYHCRYGC-NSHDSACASA-N 1 0 292.339 1.508 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000252935063 342665347 /nfs/dbraw/zinc/66/53/47/342665347.db2.gz WXPASXFBYAWXKW-VXGBXAGGSA-N 1 0 282.344 1.335 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000592475668 342698967 /nfs/dbraw/zinc/69/89/67/342698967.db2.gz SJPOCSNGXSFLSB-RISCZKNCSA-N 1 0 295.339 1.022 20 5 CDBDRO C[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CO1 ZINC000592514090 342700612 /nfs/dbraw/zinc/70/06/12/342700612.db2.gz UOMHNUPVGWHMOT-IUCAKERBSA-N 1 0 276.296 1.738 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC3(CC3(F)F)CC2)n1 ZINC000593073409 342762587 /nfs/dbraw/zinc/76/25/87/342762587.db2.gz SHFCCKFJSXQSMT-UHFFFAOYSA-N 1 0 286.282 1.913 20 5 CDBDRO C[C@@H](CCO)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000593106752 342768572 /nfs/dbraw/zinc/76/85/72/342768572.db2.gz BQFAJWKEESRHTN-NSHDSACASA-N 1 0 295.339 1.626 20 5 CDBDRO CC(C)([NH3+])c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000070534212 361993169 /nfs/dbraw/zinc/99/31/69/361993169.db2.gz IGZSTUNGTCNVQE-UHFFFAOYSA-N 1 0 261.285 1.428 20 5 CDBDRO C[C@H](C(=O)N1CCC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000514987039 362001801 /nfs/dbraw/zinc/00/18/01/362001801.db2.gz LRUIRZKEGDYRPG-LBPRGKRZSA-N 1 0 291.351 1.862 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCC[NH2+]CC1 ZINC000593901275 342853509 /nfs/dbraw/zinc/85/35/09/342853509.db2.gz DRCAUWPWEFIALT-LBPRGKRZSA-N 1 0 291.351 1.943 20 5 CDBDRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C2 ZINC000594515680 342913697 /nfs/dbraw/zinc/91/36/97/342913697.db2.gz PIWFYEKAHOAHAK-LLVKDONJSA-N 1 0 287.323 1.370 20 5 CDBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000609383627 342265454 /nfs/dbraw/zinc/26/54/54/342265454.db2.gz XPOYMBDPRHELSM-JTQLQIEISA-N 1 0 295.364 1.870 20 5 CDBDRO C[NH2+]CCOCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000600950627 342258150 /nfs/dbraw/zinc/25/81/50/342258150.db2.gz ARAITNYULUJPCT-UHFFFAOYSA-N 1 0 275.255 1.521 20 5 CDBDRO Cc1ccc(NC(=O)[C@@H]2CC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000092950743 342270428 /nfs/dbraw/zinc/27/04/28/342270428.db2.gz ABPUNSWYQLBBBY-MWLCHTKSSA-N 1 0 263.297 1.840 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[NH2+]C ZINC000595233089 343016601 /nfs/dbraw/zinc/01/66/01/343016601.db2.gz RZOXCIPQUKLEJI-SECBINFHSA-N 1 0 280.328 1.887 20 5 CDBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CNC(=O)C1 ZINC000595286674 343023289 /nfs/dbraw/zinc/02/32/89/343023289.db2.gz GBFDUXZDVIJILM-SNVBAGLBSA-N 1 0 263.297 1.163 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCO)CC2)cc1 ZINC000203997429 343057460 /nfs/dbraw/zinc/05/74/60/343057460.db2.gz UFCKANNLDZBNMY-UHFFFAOYSA-N 1 0 265.313 1.146 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000076270023 342320383 /nfs/dbraw/zinc/32/03/83/342320383.db2.gz DJZWFGXLHRWFIR-QMMMGPOBSA-N 1 0 268.321 1.109 20 5 CDBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1onc(C)c1[N+](=O)[O-] ZINC000595489437 343075752 /nfs/dbraw/zinc/07/57/52/343075752.db2.gz ASEAMAIJUQSUJH-UHEDFLHXSA-N 1 0 293.323 1.746 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000235727296 362039316 /nfs/dbraw/zinc/03/93/16/362039316.db2.gz QBMQVABZYAJVMS-DTWKUNHWSA-N 1 0 281.287 1.604 20 5 CDBDRO O=C1CC[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000595730030 343141362 /nfs/dbraw/zinc/14/13/62/343141362.db2.gz ZIOCHRCQELCBLV-YPMHNXCESA-N 1 0 289.335 1.695 20 5 CDBDRO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000595875583 343178386 /nfs/dbraw/zinc/17/83/86/343178386.db2.gz QYWYJWGUMGKSMG-WFASDCNBSA-N 1 0 294.351 1.924 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000595928804 343183977 /nfs/dbraw/zinc/18/39/77/343183977.db2.gz OWEKTELXBUZEHU-LLVKDONJSA-N 1 0 265.313 1.517 20 5 CDBDRO COc1ccc(C(=O)NC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000457218358 365733063 /nfs/dbraw/zinc/73/30/63/365733063.db2.gz ICXAVWRGCDOUDH-UHFFFAOYSA-N 1 0 295.339 1.673 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])CCCC1 ZINC000595941370 343203711 /nfs/dbraw/zinc/20/37/11/343203711.db2.gz NAHIXSISNFPWRE-UHFFFAOYSA-N 1 0 293.323 1.605 20 5 CDBDRO COc1cc(N(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000080684967 342359166 /nfs/dbraw/zinc/35/91/66/342359166.db2.gz DFVYLXBCLNCPDP-UHFFFAOYSA-N 1 0 253.302 1.601 20 5 CDBDRO CSc1ccc(C(=O)N[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595992123 343213088 /nfs/dbraw/zinc/21/30/88/343213088.db2.gz OHJHTBACTSUOMT-CYBMUJFWSA-N 1 0 295.364 1.799 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596103758 343228115 /nfs/dbraw/zinc/22/81/15/343228115.db2.gz FLYVIRDLCZAFQF-SECBINFHSA-N 1 0 266.301 1.226 20 5 CDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596244292 343285930 /nfs/dbraw/zinc/28/59/30/343285930.db2.gz OAIMATXMJVTEOW-JOYOIKCWSA-N 1 0 292.339 1.223 20 5 CDBDRO CN(CCN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000118762870 342429453 /nfs/dbraw/zinc/42/94/53/342429453.db2.gz GADDXIBDKFXWOM-UHFFFAOYSA-N 1 0 265.313 1.363 20 5 CDBDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000597217947 343483507 /nfs/dbraw/zinc/48/35/07/343483507.db2.gz JZDJFNLCSOWFKP-DTORHVGOSA-N 1 0 270.310 1.698 20 5 CDBDRO Cc1nn(C)c(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000252672498 282274679 /nfs/dbraw/zinc/27/46/79/282274679.db2.gz ARGUKYFTKHOYME-MNOVXSKESA-N 1 0 279.344 1.675 20 5 CDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000597701610 343603910 /nfs/dbraw/zinc/60/39/10/343603910.db2.gz VFWDPUKIOYKCIY-GZMMTYOYSA-N 1 0 266.301 1.088 20 5 CDBDRO CCC(CC)(C[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000111831530 365797106 /nfs/dbraw/zinc/79/71/06/365797106.db2.gz MHNSQEDNNUMRDI-UHFFFAOYSA-N 1 0 265.313 1.842 20 5 CDBDRO Cc1cc(C(=O)NCC[C@@H](C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000597992393 343682588 /nfs/dbraw/zinc/68/25/88/343682588.db2.gz JTRCHOILLDDJBX-LLVKDONJSA-N 1 0 279.340 1.973 20 5 CDBDRO Cc1cc(C(=O)NCC[C@H](C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000597992394 343682659 /nfs/dbraw/zinc/68/26/59/343682659.db2.gz JTRCHOILLDDJBX-NSHDSACASA-N 1 0 279.340 1.973 20 5 CDBDRO C[C@H](CCNc1ncc([N+](=O)[O-])c(N)n1)[NH+]1CCCCC1 ZINC000273173458 192065855 /nfs/dbraw/zinc/06/58/55/192065855.db2.gz PCVFXOZBHYECEG-SNVBAGLBSA-N 1 0 294.359 1.643 20 5 CDBDRO CNC(=O)c1ccc(NCC2([NH2+]C)CCC2)c([N+](=O)[O-])c1 ZINC000598633481 343849630 /nfs/dbraw/zinc/84/96/30/343849630.db2.gz OXTYRRVTZLFFML-UHFFFAOYSA-N 1 0 292.339 1.508 20 5 CDBDRO CS[C@@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)C[C@@H]1[NH+](C)C ZINC000270343259 190654072 /nfs/dbraw/zinc/65/40/72/190654072.db2.gz FNBZEDLECAUWFZ-VHSXEESVSA-N 1 0 299.400 1.119 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3c(F)cccc3[N+](=O)[O-])C[C@H]21 ZINC000599083358 343958168 /nfs/dbraw/zinc/95/81/68/343958168.db2.gz JNMIDEGQYUZBFP-GDGBQDQQSA-N 1 0 265.288 1.730 20 5 CDBDRO CCC(O)(CC)C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000599672503 344114451 /nfs/dbraw/zinc/11/44/51/344114451.db2.gz DRWAZIIMOHTTBD-UHFFFAOYSA-N 1 0 270.333 1.274 20 5 CDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1(C)COC1 ZINC000599571488 344089920 /nfs/dbraw/zinc/08/99/20/344089920.db2.gz IYKWPHQVHBRIFY-UHFFFAOYSA-N 1 0 280.324 1.942 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601559699 344191577 /nfs/dbraw/zinc/19/15/77/344191577.db2.gz VVKHJZGQCJIPPE-JSGCOSHPSA-N 1 0 289.335 1.809 20 5 CDBDRO CO[C@H](C[NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000602557010 344467162 /nfs/dbraw/zinc/46/71/62/344467162.db2.gz IPUPOBIURXVXNC-UKRRQHHQSA-N 1 0 294.351 1.778 20 5 CDBDRO COC[C@](C)(CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602586890 344478001 /nfs/dbraw/zinc/47/80/01/344478001.db2.gz DURJCJMAVTWHQX-ZDUSSCGKSA-N 1 0 268.313 1.124 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602588596 344478958 /nfs/dbraw/zinc/47/89/58/344478958.db2.gz CCWKXIDRKQUUNB-DTORHVGOSA-N 1 0 279.271 1.310 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602590921 344479871 /nfs/dbraw/zinc/47/98/71/344479871.db2.gz LHISFMYDTIXFBI-AOOOYVTPSA-N 1 0 261.281 1.171 20 5 CDBDRO C[C@@H](CO[C@@H]1CCOC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602566948 344483550 /nfs/dbraw/zinc/48/35/50/344483550.db2.gz GNVHWPOQKGEKCM-SWLSCSKDSA-N 1 0 294.351 1.921 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCn3ccnc3C2)cc1 ZINC000602625044 344501110 /nfs/dbraw/zinc/50/11/10/344501110.db2.gz WTSCNZYJZTYTQF-CYBMUJFWSA-N 1 0 286.335 1.938 20 5 CDBDRO CCN1C[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000602709116 344551560 /nfs/dbraw/zinc/55/15/60/344551560.db2.gz BCGISZBABHVKMC-CYBMUJFWSA-N 1 0 291.351 1.595 20 5 CDBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1cnn(C)c1 ZINC000602772631 344576909 /nfs/dbraw/zinc/57/69/09/344576909.db2.gz VYDGKMRNXFVMGA-UHFFFAOYSA-N 1 0 292.343 1.355 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000283532647 362482045 /nfs/dbraw/zinc/48/20/45/362482045.db2.gz XIKQYAZBMDHMCH-YVFTVSHDSA-N 1 0 263.297 1.332 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000602812018 344604400 /nfs/dbraw/zinc/60/44/00/344604400.db2.gz RPKOUBORPYAKGD-MWLCHTKSSA-N 1 0 268.317 1.114 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCSC[C@@H](C)C1 ZINC000602817306 344607236 /nfs/dbraw/zinc/60/72/36/344607236.db2.gz AJOKTUICTXILLQ-JTQLQIEISA-N 1 0 284.385 1.785 20 5 CDBDRO Cc1ncc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)s1 ZINC000602957352 344672874 /nfs/dbraw/zinc/67/28/74/344672874.db2.gz SBEJBEONSKEGRZ-MRVPVSSYSA-N 1 0 281.341 1.907 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000602838492 344620017 /nfs/dbraw/zinc/62/00/17/344620017.db2.gz SQEIMVFWGWKABX-ZDUSSCGKSA-N 1 0 295.387 1.514 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000602838488 344620312 /nfs/dbraw/zinc/62/03/12/344620312.db2.gz SQEIMVFWGWKABX-CYBMUJFWSA-N 1 0 295.387 1.514 20 5 CDBDRO CO[C@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602842135 344622023 /nfs/dbraw/zinc/62/20/23/344622023.db2.gz QHZZDMWNSIAYMV-PWSUYJOCSA-N 1 0 282.344 1.457 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2CCOCC2)c1 ZINC000603842663 344838174 /nfs/dbraw/zinc/83/81/74/344838174.db2.gz HOMUTYTUDRCCEE-CYBMUJFWSA-N 1 0 296.323 1.103 20 5 CDBDRO C[NH+]1CCN(CCNc2ccc([N+](=O)[O-])s2)CC1 ZINC000604408823 344887700 /nfs/dbraw/zinc/88/77/00/344887700.db2.gz VKJLKSZXEBMYNR-UHFFFAOYSA-N 1 0 270.358 1.316 20 5 CDBDRO C[NH+](C)CCCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000604476372 344893872 /nfs/dbraw/zinc/89/38/72/344893872.db2.gz YAIPGQGEMXIAQY-UHFFFAOYSA-N 1 0 280.328 1.346 20 5 CDBDRO CC1(CNC(=O)c2csc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000129109347 362512950 /nfs/dbraw/zinc/51/29/50/362512950.db2.gz RMENABJAMHAWGQ-UHFFFAOYSA-N 1 0 283.353 1.776 20 5 CDBDRO COC[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159821382 362534672 /nfs/dbraw/zinc/53/46/72/362534672.db2.gz RXJDIQXPSYTYFJ-LBPRGKRZSA-N 1 0 295.339 1.115 20 5 CDBDRO Cn1ncc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000293395636 362557086 /nfs/dbraw/zinc/55/70/86/362557086.db2.gz XLWWXCDQPRAYME-UHFFFAOYSA-N 1 0 295.730 1.709 20 5 CDBDRO C[NH+]1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344243940 362559093 /nfs/dbraw/zinc/55/90/93/362559093.db2.gz PQURMFCTEVYNJR-UHFFFAOYSA-N 1 0 281.287 1.558 20 5 CDBDRO Cc1sc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000293409637 362559456 /nfs/dbraw/zinc/55/94/56/362559456.db2.gz NDDVJWDMOAMYTK-NXEZZACHSA-N 1 0 295.364 1.789 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCOCCO ZINC000542811198 362615461 /nfs/dbraw/zinc/61/54/61/362615461.db2.gz SYXLTLZSDVDSAL-GFCCVEGCSA-N 1 0 282.340 1.953 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000087383625 345695339 /nfs/dbraw/zinc/69/53/39/345695339.db2.gz QOOYIIUUZVSROJ-SECBINFHSA-N 1 0 283.715 1.715 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC([NH2+]CC2CC2)CC1 ZINC000127513200 187311772 /nfs/dbraw/zinc/31/17/72/187311772.db2.gz JGWABHIDMFODJF-UHFFFAOYSA-N 1 0 293.323 1.792 20 5 CDBDRO CC1(C)C[NH2+]CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000088139020 346013990 /nfs/dbraw/zinc/01/39/90/346013990.db2.gz FLULMKIKBPLSML-UHFFFAOYSA-N 1 0 277.324 1.348 20 5 CDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000609876649 346030273 /nfs/dbraw/zinc/03/02/73/346030273.db2.gz DIHCTVIDRCZESP-JTQLQIEISA-N 1 0 280.328 1.527 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000127544752 187314764 /nfs/dbraw/zinc/31/47/64/187314764.db2.gz HNOCPBVLWZGCJO-GUOLPTJISA-N 1 0 275.308 1.558 20 5 CDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1c([N+](=O)[O-])ncn1C ZINC000610282739 346243597 /nfs/dbraw/zinc/24/35/97/346243597.db2.gz SMHOKTPGCKZWKO-NSHDSACASA-N 1 0 281.360 1.639 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cccc(F)c2)c1 ZINC000037884550 346369659 /nfs/dbraw/zinc/36/96/59/346369659.db2.gz WWUBLMRYQLTYRH-ZDUSSCGKSA-N 1 0 294.286 1.081 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc(F)cc2)c1 ZINC000037880034 346369682 /nfs/dbraw/zinc/36/96/82/346369682.db2.gz TXKYTIJVZAKMAH-CYBMUJFWSA-N 1 0 294.286 1.081 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000038079493 346377969 /nfs/dbraw/zinc/37/79/69/346377969.db2.gz MOZDKCZZXJEOQS-LBPRGKRZSA-N 1 0 280.324 1.990 20 5 CDBDRO CCC[N@H+](CCO)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611252299 346719187 /nfs/dbraw/zinc/71/91/87/346719187.db2.gz KIADMXAPKHXKFH-UHFFFAOYSA-N 1 0 296.323 1.570 20 5 CDBDRO Cn1cc(CC[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000112017384 365853502 /nfs/dbraw/zinc/85/35/02/365853502.db2.gz IDMSHJWULRAXAZ-UHFFFAOYSA-N 1 0 260.297 1.661 20 5 CDBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3C[NH2+]C[C@H]3C2)cc1OC(F)F ZINC000611296259 346740963 /nfs/dbraw/zinc/74/09/63/346740963.db2.gz OXHRGWMIGHNBMT-IUCAKERBSA-N 1 0 299.277 1.852 20 5 CDBDRO CC[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000122600684 347662365 /nfs/dbraw/zinc/66/23/65/347662365.db2.gz ZUIKWKWATQNDMI-CMPLNLGQSA-N 1 0 277.324 1.794 20 5 CDBDRO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[C@H]1[NH3+] ZINC000122429054 347645350 /nfs/dbraw/zinc/64/53/50/347645350.db2.gz CWNXYBIFPGIJIT-DTWKUNHWSA-N 1 0 283.353 1.856 20 5 CDBDRO C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000086467983 179298616 /nfs/dbraw/zinc/29/86/16/179298616.db2.gz AWLSUBUXYWPUPR-SFYZADRCSA-N 1 0 269.326 1.479 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000086467995 179298788 /nfs/dbraw/zinc/29/87/88/179298788.db2.gz MNPMVEVKIVWJGL-WDEREUQCSA-N 1 0 277.324 1.726 20 5 CDBDRO CC(C)(O)CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000614110436 348004707 /nfs/dbraw/zinc/00/47/07/348004707.db2.gz PUIZSTMYPFWMGA-UHFFFAOYSA-N 1 0 296.323 1.617 20 5 CDBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])o1)C1CC1 ZINC000067866119 349040285 /nfs/dbraw/zinc/04/02/85/349040285.db2.gz ZWIKWTQINQDGLI-UHFFFAOYSA-N 1 0 253.258 1.012 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CC[NH+](C)C ZINC000068473684 349068179 /nfs/dbraw/zinc/06/81/79/349068179.db2.gz RLBNYUGEANUIET-JTQLQIEISA-N 1 0 295.339 1.673 20 5 CDBDRO CC[NH+](CC)CCCNc1c([N+](=O)[O-])c(C)nn1C ZINC000036749280 362939376 /nfs/dbraw/zinc/93/93/76/362939376.db2.gz PREKERATOAKCGO-UHFFFAOYSA-N 1 0 269.349 1.781 20 5 CDBDRO C[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000091300472 180127487 /nfs/dbraw/zinc/12/74/87/180127487.db2.gz WBZWTMIDLNTYJI-GXFFZTMASA-N 1 0 293.323 1.151 20 5 CDBDRO C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000091545863 180186328 /nfs/dbraw/zinc/18/63/28/180186328.db2.gz QGBGRJBJROTXRR-DLOVCJGASA-N 1 0 277.324 1.899 20 5 CDBDRO COC[C@H]1CCCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000364121967 362953049 /nfs/dbraw/zinc/95/30/49/362953049.db2.gz BNMHLWPQUMCMTR-LBPRGKRZSA-N 1 0 282.344 1.540 20 5 CDBDRO COc1ccc(C[NH2+]CCCn2cccn2)cc1[N+](=O)[O-] ZINC000106466508 186119884 /nfs/dbraw/zinc/11/98/84/186119884.db2.gz SLZOYZWJSOMBLV-UHFFFAOYSA-N 1 0 290.323 1.980 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000109849879 186278223 /nfs/dbraw/zinc/27/82/23/186278223.db2.gz IKRZLUYVIJZYGJ-VIFPVBQESA-N 1 0 297.742 1.930 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H](O)C1CC1 ZINC000079770548 350967837 /nfs/dbraw/zinc/96/78/37/350967837.db2.gz PJYUHGDCMBRLFX-ZDUSSCGKSA-N 1 0 280.324 1.806 20 5 CDBDRO CO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@H](C[NH3+])C1 ZINC000167194984 363038438 /nfs/dbraw/zinc/03/84/38/363038438.db2.gz RSFWHUZTKDPMEF-IUCAKERBSA-N 1 0 299.352 1.235 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000122314100 187026512 /nfs/dbraw/zinc/02/65/12/187026512.db2.gz IJXWRJSDUUGDDF-SNVBAGLBSA-N 1 0 267.260 1.297 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000122555917 187038058 /nfs/dbraw/zinc/03/80/58/187038058.db2.gz CGTCKKCUKACRNJ-UHFFFAOYSA-N 1 0 268.317 1.181 20 5 CDBDRO CCC[NH2+]CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417144812 535167727 /nfs/dbraw/zinc/16/77/27/535167727.db2.gz WIWBLMZRAMXQDS-LLVKDONJSA-N 1 0 294.355 1.955 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000133646444 187698623 /nfs/dbraw/zinc/69/86/23/187698623.db2.gz ZLMAKUOLECAMFR-GFCCVEGCSA-N 1 0 277.324 1.348 20 5 CDBDRO C[C@](C[NH3+])(NC(=O)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000154823148 188163839 /nfs/dbraw/zinc/16/38/39/188163839.db2.gz BEGSGPJMYKSQKV-OAHLLOKOSA-N 1 0 291.351 1.771 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCN(CCCO)C2)c1 ZINC000295172067 199385998 /nfs/dbraw/zinc/38/59/98/199385998.db2.gz UKGQFIRLZTZUJD-CQSZACIVSA-N 1 0 293.367 1.531 20 5 CDBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(C)C ZINC000090517634 358479886 /nfs/dbraw/zinc/47/98/86/358479886.db2.gz XGBVIAOMJHXADG-UHFFFAOYSA-N 1 0 297.355 1.361 20 5 CDBDRO Nc1c(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cccc1[N+](=O)[O-] ZINC000365244560 363299795 /nfs/dbraw/zinc/29/97/95/363299795.db2.gz JUMHJYTZYCSWPH-KOLCDFICSA-N 1 0 290.323 1.001 20 5 CDBDRO Cc1sc(C(=O)NC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000273009113 192016656 /nfs/dbraw/zinc/01/66/56/192016656.db2.gz IWABIMAWVAJNTA-MRVPVSSYSA-N 1 0 269.326 1.304 20 5 CDBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000340911483 363461760 /nfs/dbraw/zinc/46/17/60/363461760.db2.gz FLPSPZJWNRCQNO-GHMZBOCLSA-N 1 0 266.297 1.429 20 5 CDBDRO CO[C@@]1(C)CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000366482844 363566393 /nfs/dbraw/zinc/56/63/93/363566393.db2.gz UKHZZQPCRSCIRI-ZDUSSCGKSA-N 1 0 282.344 1.719 20 5 CDBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000156524220 356902720 /nfs/dbraw/zinc/90/27/20/356902720.db2.gz FLRQPODOLIYONP-AWEZNQCLSA-N 1 0 289.335 1.574 20 5 CDBDRO Cc1nn(C)c(N[C@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000049558628 357219599 /nfs/dbraw/zinc/21/95/99/357219599.db2.gz HRIVUDIOVWGNDZ-MRVPVSSYSA-N 1 0 255.322 1.389 20 5 CDBDRO CCCc1n[nH]c(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c1[N+](=O)[O-] ZINC000261900854 357339764 /nfs/dbraw/zinc/33/97/64/357339764.db2.gz WPMQAIPRZJOIJU-RKDXNWHRSA-N 1 0 295.343 1.080 20 5 CDBDRO C[C@@]1(C(=O)NCc2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000062860693 357499293 /nfs/dbraw/zinc/49/92/93/357499293.db2.gz RUNHKSWGLQAHKM-CQSZACIVSA-N 1 0 277.324 1.601 20 5 CDBDRO CC[C@@H](NC(=O)[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000236947811 357476116 /nfs/dbraw/zinc/47/61/16/357476116.db2.gz MBWUYRKDJYGXRD-WCQYABFASA-N 1 0 277.324 1.772 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000135211290 357770114 /nfs/dbraw/zinc/77/01/14/357770114.db2.gz JZRZUWJARRJOQV-NSHDSACASA-N 1 0 263.297 1.087 20 5 CDBDRO Cc1nn(CCN2CCO[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000188185180 357857253 /nfs/dbraw/zinc/85/72/53/357857253.db2.gz WSYQVSYMSQDBNG-SECBINFHSA-N 1 0 268.317 1.129 20 5 CDBDRO Cc1c(CN2CC[NH+](C[C@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000189332589 357996850 /nfs/dbraw/zinc/99/68/50/357996850.db2.gz PYEUHRHSAOVLCI-LBPRGKRZSA-N 1 0 293.367 1.402 20 5 CDBDRO Cc1cc(N[C@@H]2C[NH2+]CCC2(F)F)ncc1[N+](=O)[O-] ZINC001579635900 1172230945 /nfs/dbraw/zinc/23/09/45/1172230945.db2.gz NLERMTLDBOIVPN-SECBINFHSA-N 1 0 272.255 1.707 20 5 CDBDRO CCOC1CC([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000287110947 358097745 /nfs/dbraw/zinc/09/77/45/358097745.db2.gz YLGUUPSKEIODGB-UHFFFAOYSA-N 1 0 268.317 1.291 20 5 CDBDRO C[N@H+]1C[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000192511349 358210657 /nfs/dbraw/zinc/21/06/57/358210657.db2.gz ALCTZXGQUKJRHQ-BETUJISGSA-N 1 0 289.335 1.157 20 5 CDBDRO C[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000193451951 358295030 /nfs/dbraw/zinc/29/50/30/358295030.db2.gz NTLQBOHOXAWRAL-NSHDSACASA-N 1 0 294.355 1.557 20 5 CDBDRO Nc1ccc(C(=O)NCCC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000294884133 199229705 /nfs/dbraw/zinc/22/97/05/199229705.db2.gz QHVNPWAAWVGNLP-NSHDSACASA-N 1 0 292.339 1.439 20 5 CDBDRO C[N@H+](C[C@H](O)COc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000290780798 358414251 /nfs/dbraw/zinc/41/42/51/358414251.db2.gz MWIRFZMGFUZSIA-JTQLQIEISA-N 1 0 284.287 1.568 20 5 CDBDRO CNc1ccc(C(=O)NCC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000567829121 358739338 /nfs/dbraw/zinc/73/93/38/358739338.db2.gz IQTBDLLJTAUNRB-JTQLQIEISA-N 1 0 292.339 1.366 20 5 CDBDRO O=[N+]([O-])c1cc(CN2CCC[C@@H]2CO)c2c(c1)COCO2 ZINC000101546794 358849343 /nfs/dbraw/zinc/84/93/43/358849343.db2.gz YPGCQRUUUFTCSN-GFCCVEGCSA-N 1 0 294.307 1.418 20 5 CDBDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000048336227 359202355 /nfs/dbraw/zinc/20/23/55/359202355.db2.gz GSICIPYZXCDYKF-JTQLQIEISA-N 1 0 296.323 1.844 20 5 CDBDRO C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000050163054 359352365 /nfs/dbraw/zinc/35/23/65/359352365.db2.gz FOJHXCGYCOZUAH-DTWKUNHWSA-N 1 0 283.353 1.774 20 5 CDBDRO C[C@]1(C(N)=O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000280122917 359414873 /nfs/dbraw/zinc/41/48/73/359414873.db2.gz BUNKLPXHCCUPHD-ZDUSSCGKSA-N 1 0 263.297 1.292 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](CC3CC3)C2)n1 ZINC000339674435 359426454 /nfs/dbraw/zinc/42/64/54/359426454.db2.gz OXXGTESERSTWNC-GFCCVEGCSA-N 1 0 264.329 1.913 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000297272602 200132128 /nfs/dbraw/zinc/13/21/28/200132128.db2.gz ATHYXNBKXQCKPH-ZWNOBZJWSA-N 1 0 277.324 1.476 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000408364159 359694412 /nfs/dbraw/zinc/69/44/12/359694412.db2.gz HTFFTRCNDBBWPO-WDEREUQCSA-N 1 0 279.344 1.249 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000261559586 283469281 /nfs/dbraw/zinc/46/92/81/283469281.db2.gz DTPUFWMWQPZJLC-VIFPVBQESA-N 1 0 253.277 1.909 20 5 CDBDRO CC(C)[C@@](C)([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000297654983 200254724 /nfs/dbraw/zinc/25/47/24/200254724.db2.gz NNAIDZIYGDZKNB-CQSZACIVSA-N 1 0 295.339 1.463 20 5 CDBDRO CC(C)[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000267341722 359924610 /nfs/dbraw/zinc/92/46/10/359924610.db2.gz JYJMUTPBVHCUAV-CYBMUJFWSA-N 1 0 296.323 1.568 20 5 CDBDRO COC(=O)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000297997832 200315691 /nfs/dbraw/zinc/31/56/91/200315691.db2.gz AYUVWPVJSCECIV-UHFFFAOYSA-N 1 0 266.297 1.983 20 5 CDBDRO CC[NH2+]CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000054263430 360065113 /nfs/dbraw/zinc/06/51/13/360065113.db2.gz AZAPXJLGPANZMT-BQYQJAHWSA-N 1 0 263.297 1.334 20 5 CDBDRO CC[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054263146 360065273 /nfs/dbraw/zinc/06/52/73/360065273.db2.gz PLGGYIABXAXKLV-UHFFFAOYSA-N 1 0 255.249 1.073 20 5 CDBDRO [NH3+]CCCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000040808917 360528747 /nfs/dbraw/zinc/52/87/47/360528747.db2.gz YKZTYLRXWZHDAG-UHFFFAOYSA-N 1 0 271.704 1.717 20 5 CDBDRO C[C@H](C[NH3+])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000054340232 360573400 /nfs/dbraw/zinc/57/34/00/360573400.db2.gz REMQPYZGIAGWAH-BDAKNGLRSA-N 1 0 251.286 1.367 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000178986203 189159354 /nfs/dbraw/zinc/15/93/54/189159354.db2.gz ZXFXODKQFBTFLP-LLVKDONJSA-N 1 0 293.323 1.042 20 5 CDBDRO Nc1ccc(N2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000283402371 283664142 /nfs/dbraw/zinc/66/41/42/283664142.db2.gz AIRKVCLMBMGBKO-UHFFFAOYSA-N 1 0 276.340 1.709 20 5 CDBDRO COc1ccc(C[NH2+]C2CCOCC2)cc1[N+](=O)[O-] ZINC000036319761 361640300 /nfs/dbraw/zinc/64/03/00/361640300.db2.gz MYEURRYELJGPCW-UHFFFAOYSA-N 1 0 266.297 1.872 20 5 CDBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000302169556 201378400 /nfs/dbraw/zinc/37/84/00/201378400.db2.gz TXFQJSJHKKUGSL-UWVGGRQHSA-N 1 0 265.317 1.670 20 5 CDBDRO C[NH+](C)C/C=C/C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268292189 364025925 /nfs/dbraw/zinc/02/59/25/364025925.db2.gz YVKXDHRWXIQQSS-ONEGZZNKSA-N 1 0 297.742 1.982 20 5 CDBDRO C[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000088058917 364047800 /nfs/dbraw/zinc/04/78/00/364047800.db2.gz MBEIEZNKDBSCTP-QMMMGPOBSA-N 1 0 283.715 1.682 20 5 CDBDRO CCc1ccc(C(=O)NC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000237140081 364055379 /nfs/dbraw/zinc/05/53/79/364055379.db2.gz WPLHKZSAFRLGOS-LBPRGKRZSA-N 1 0 277.324 1.624 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000237191385 364260840 /nfs/dbraw/zinc/26/08/40/364260840.db2.gz ZAOQDLROXDWIQW-NSHDSACASA-N 1 0 279.296 1.071 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000361384518 364430654 /nfs/dbraw/zinc/43/06/54/364430654.db2.gz KXHFGDIISMXPOE-CYBMUJFWSA-N 1 0 266.297 1.694 20 5 CDBDRO Cc1nn(C)cc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000148929916 364507283 /nfs/dbraw/zinc/50/72/83/364507283.db2.gz TVPONKNUDMQDGP-UHFFFAOYSA-N 1 0 274.324 1.969 20 5 CDBDRO C[NH2+]CCCn1cc(Br)c([N+](=O)[O-])n1 ZINC000042410580 364585432 /nfs/dbraw/zinc/58/54/32/364585432.db2.gz ZBMBNCNRSCCZII-UHFFFAOYSA-N 1 0 263.095 1.163 20 5 CDBDRO NC(=O)C[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000175201899 364644420 /nfs/dbraw/zinc/64/44/20/364644420.db2.gz NLSNVMMJYHYYTF-ZDUSSCGKSA-N 1 0 291.351 1.725 20 5 CDBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000104135364 364798586 /nfs/dbraw/zinc/79/85/86/364798586.db2.gz NRRBRDDPCMCKEB-MRVPVSSYSA-N 1 0 266.301 1.122 20 5 CDBDRO Cc1nc(NC[C@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000133619333 364909137 /nfs/dbraw/zinc/90/91/37/364909137.db2.gz DBHPMUZLSPWALR-SNVBAGLBSA-N 1 0 250.302 1.804 20 5 CDBDRO CC(C)(O)C1C[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000275540137 193071255 /nfs/dbraw/zinc/07/12/55/193071255.db2.gz CVMHWKGXTASNGI-ZDUSSCGKSA-N 1 0 280.324 1.331 20 5 CDBDRO Cc1nn(C)c(N2CCC([NH2+]CC3CC3)CC2)c1[N+](=O)[O-] ZINC000133697047 365415080 /nfs/dbraw/zinc/41/50/80/365415080.db2.gz NFNIAHJPYASYQH-UHFFFAOYSA-N 1 0 293.371 1.605 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000414660014 241306984 /nfs/dbraw/zinc/30/69/84/241306984.db2.gz NVWDHXIYAKKZIN-JTQLQIEISA-N 1 0 278.312 1.729 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000414661462 241307176 /nfs/dbraw/zinc/30/71/76/241307176.db2.gz XIXOMRYAKXPKCP-SECBINFHSA-N 1 0 294.311 1.429 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H](CO)C1 ZINC000348569934 367534196 /nfs/dbraw/zinc/53/41/96/367534196.db2.gz IKVXSSDGVDLPLE-LLVKDONJSA-N 1 0 293.323 1.156 20 5 CDBDRO CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)C(C)(C)C[NH+]1CCCC1 ZINC000416334510 241957857 /nfs/dbraw/zinc/95/78/57/241957857.db2.gz QHYVRWOBZUPXPA-UHFFFAOYSA-N 1 0 294.355 1.869 20 5 CDBDRO C[C@H](NC(=O)NC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000417144453 242335451 /nfs/dbraw/zinc/33/54/51/242335451.db2.gz VWYIDBRXQKZBFG-CMPLNLGQSA-N 1 0 292.339 1.707 20 5 CDBDRO C[C@H](NC(=O)N1CC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417124845 242328528 /nfs/dbraw/zinc/32/85/28/242328528.db2.gz ADHGELLMFWGEPY-ONGXEEELSA-N 1 0 278.312 1.398 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\CNC[C@H]1CCC[NH2+]1 ZINC000414853890 367668956 /nfs/dbraw/zinc/66/89/56/367668956.db2.gz YMNLLDNWYXYBMU-ACVFHECNSA-N 1 0 261.325 1.950 20 5 CDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3csc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272450263 367736755 /nfs/dbraw/zinc/73/67/55/367736755.db2.gz JMQNUKPYZZLXNT-ONGXEEELSA-N 1 0 295.364 1.823 20 5 CDBDRO COc1ccc(C[NH2+][C@H](C)CCCO)cc1[N+](=O)[O-] ZINC000094943720 367737353 /nfs/dbraw/zinc/73/73/53/367737353.db2.gz RLVHEZPDPXIFLN-SNVBAGLBSA-N 1 0 268.313 1.854 20 5 CDBDRO CCCC[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027342876 368139023 /nfs/dbraw/zinc/13/90/23/368139023.db2.gz BVSOIMXAGZQAJW-UHFFFAOYSA-N 1 0 265.313 1.926 20 5 CDBDRO C[N@H+](CCNc1ncc([N+](=O)[O-])c(N)n1)C1CCCC1 ZINC000301196056 368344398 /nfs/dbraw/zinc/34/43/98/368344398.db2.gz NMCBGKQIGXFPFQ-UHFFFAOYSA-N 1 0 280.332 1.253 20 5 CDBDRO C[NH2+]CCCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000121715101 368486663 /nfs/dbraw/zinc/48/66/63/368486663.db2.gz DARNSGZFHABPQH-UHFFFAOYSA-N 1 0 251.286 1.243 20 5 CDBDRO [NH3+]CCCCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000420227474 243948412 /nfs/dbraw/zinc/94/84/12/243948412.db2.gz CFGNFGDUACCIOB-UHFFFAOYSA-N 1 0 292.339 1.638 20 5 CDBDRO C[C@H](C[NH3+])CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414874107 370964051 /nfs/dbraw/zinc/96/40/51/370964051.db2.gz IBRHHTLAXGHMMN-MRVPVSSYSA-N 1 0 289.282 1.881 20 5 CDBDRO CC(C)C[C@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668495 369784955 /nfs/dbraw/zinc/78/49/55/369784955.db2.gz RDUUJOZDXBCZSU-LBPRGKRZSA-N 1 0 265.313 1.584 20 5 CDBDRO CN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000037669460 369786226 /nfs/dbraw/zinc/78/62/26/369786226.db2.gz MTUVFMHOWOCEKA-UHFFFAOYSA-N 1 0 295.314 1.900 20 5 CDBDRO COC(=O)c1cnc(NC[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000276608711 193398702 /nfs/dbraw/zinc/39/87/02/193398702.db2.gz SHHTYNKTQVXDNO-SNVBAGLBSA-N 1 0 294.311 1.283 20 5 CDBDRO CC[C@H](O)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000421853199 244862543 /nfs/dbraw/zinc/86/25/43/244862543.db2.gz IRZVOUYQZVCFLI-GWCFXTLKSA-N 1 0 295.339 1.672 20 5 CDBDRO C[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000422728764 245184327 /nfs/dbraw/zinc/18/43/27/245184327.db2.gz GYAXPGOYMPGMHX-UHFFFAOYSA-N 1 0 288.307 1.482 20 5 CDBDRO Cc1c(CNC[C@H](O)C[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000314789688 371204149 /nfs/dbraw/zinc/20/41/49/371204149.db2.gz UOGUVUJBZCXHFG-AWEZNQCLSA-N 1 0 293.367 1.448 20 5 CDBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCC(O)CC2)c(F)c1 ZINC000296044181 372711483 /nfs/dbraw/zinc/71/14/83/372711483.db2.gz QANWLRMWPCGVDV-UHFFFAOYSA-N 1 0 283.303 1.603 20 5 CDBDRO Cc1c(CC(=O)NC[C@@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000269616683 373145771 /nfs/dbraw/zinc/14/57/71/373145771.db2.gz LYNLJWWMTIDXRG-SNVBAGLBSA-N 1 0 279.340 1.512 20 5 CDBDRO CCC1(O)CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269651980 373370542 /nfs/dbraw/zinc/37/05/42/373370542.db2.gz MUHBILFDBLFUED-AWEZNQCLSA-N 1 0 294.351 1.865 20 5 CDBDRO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810238 373399622 /nfs/dbraw/zinc/39/96/22/373399622.db2.gz LXRLTPBMAIVMPE-GXFFZTMASA-N 1 0 279.340 1.927 20 5 CDBDRO CN(C1(C[NH3+])CCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000385394884 373610992 /nfs/dbraw/zinc/61/09/92/373610992.db2.gz VNJAIHYDXINQHK-UHFFFAOYSA-N 1 0 299.352 1.097 20 5 CDBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000347099045 373755106 /nfs/dbraw/zinc/75/51/06/373755106.db2.gz JDCZQDJXYVXTNO-ZYHUDNBSSA-N 1 0 278.308 1.978 20 5 CDBDRO C[N@H+](CCNc1c(C(N)=O)cccc1[N+](=O)[O-])C1CC1 ZINC000420580019 374298361 /nfs/dbraw/zinc/29/83/61/374298361.db2.gz DGLBCZFKBGAWPN-UHFFFAOYSA-N 1 0 278.312 1.200 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CCC[NH2+]CC2)c(N)c([N+](=O)[O-])c1 ZINC000368723605 374326246 /nfs/dbraw/zinc/32/62/46/374326246.db2.gz WTSFRNCBHQEGAC-JTQLQIEISA-N 1 0 292.339 1.357 20 5 CDBDRO [NH3+][C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000422935086 374364307 /nfs/dbraw/zinc/36/43/07/374364307.db2.gz KNVMAKSFBQOUSU-CYBMUJFWSA-N 1 0 292.339 1.250 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000423815047 246112205 /nfs/dbraw/zinc/11/22/05/246112205.db2.gz VOWNSPSKQLMVDJ-CHWSQXEVSA-N 1 0 291.351 1.908 20 5 CDBDRO CC(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000370386601 374392036 /nfs/dbraw/zinc/39/20/36/374392036.db2.gz IVCABRLYLDITEP-QWHCGFSZSA-N 1 0 294.351 1.646 20 5 CDBDRO CCC[C@@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423856138 246150480 /nfs/dbraw/zinc/15/04/80/246150480.db2.gz XLKWWJJZPLQLEJ-LLVKDONJSA-N 1 0 285.731 1.992 20 5 CDBDRO Cc1c(CC(=O)NC[C@@H]([NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000423477830 374383298 /nfs/dbraw/zinc/38/32/98/374383298.db2.gz MAYCFKOIQJCMQP-GFCCVEGCSA-N 1 0 277.324 1.299 20 5 CDBDRO C[C@H](NC[C@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000423527561 374389037 /nfs/dbraw/zinc/38/90/37/374389037.db2.gz RWXCVSLYULSYSW-GXFFZTMASA-N 1 0 265.313 1.234 20 5 CDBDRO C[C@@H]([NH3+])CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423851939 246144949 /nfs/dbraw/zinc/14/49/49/246144949.db2.gz SOUXHCWGSARPTD-SSDOTTSWSA-N 1 0 271.704 1.602 20 5 CDBDRO [NH3+]C1(c2noc(Cn3cc([N+](=O)[O-])cn3)n2)CCCCC1 ZINC000424345650 374409376 /nfs/dbraw/zinc/40/93/76/374409376.db2.gz MZUUYQLWWQUKDP-UHFFFAOYSA-N 1 0 292.299 1.341 20 5 CDBDRO CO[C@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CC1 ZINC000425485594 374441488 /nfs/dbraw/zinc/44/14/88/374441488.db2.gz ULRUEMJRRSURCM-CYBMUJFWSA-N 1 0 294.355 1.853 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000424038629 246303179 /nfs/dbraw/zinc/30/31/79/246303179.db2.gz YPGDLIITWMVHHJ-UHFFFAOYSA-N 1 0 281.312 1.285 20 5 CDBDRO COc1cc(C(=O)NC(C)(C)CC[NH3+])cc([N+](=O)[O-])c1C ZINC000424045952 246305874 /nfs/dbraw/zinc/30/58/74/246305874.db2.gz JTXGPSYYTHXHIQ-UHFFFAOYSA-N 1 0 295.339 1.769 20 5 CDBDRO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000351949835 374698268 /nfs/dbraw/zinc/69/82/68/374698268.db2.gz APIKWQQAZHENCO-ZYHUDNBSSA-N 1 0 266.297 1.286 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000070172561 374654131 /nfs/dbraw/zinc/65/41/31/374654131.db2.gz VIOAPSPGLWZCBC-IUCAKERBSA-N 1 0 266.301 1.122 20 5 CDBDRO Cc1ccc(C(=O)NC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000070446814 374662513 /nfs/dbraw/zinc/66/25/13/374662513.db2.gz QHKPAVPRAQQXBS-LLVKDONJSA-N 1 0 265.313 1.616 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000274412441 374673374 /nfs/dbraw/zinc/67/33/74/374673374.db2.gz JGCPYLHVZKWJNJ-ZCFIWIBFSA-N 1 0 291.229 1.691 20 5 CDBDRO COC(=O)[C@@H]1C[C@@H](C)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000274998917 374687339 /nfs/dbraw/zinc/68/73/39/374687339.db2.gz PIBIRXYRVWYGJX-JQWIXIFHSA-N 1 0 296.327 1.065 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H](CO)C1 ZINC000092763346 374702321 /nfs/dbraw/zinc/70/23/21/374702321.db2.gz NHGOUUOXSARHRP-OGOUPESXSA-N 1 0 262.309 1.922 20 5 CDBDRO COc1cc(C(=O)NC[C@H](C)[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000276657090 374738950 /nfs/dbraw/zinc/73/89/50/374738950.db2.gz ZQRWZLNRZLLQLB-VIFPVBQESA-N 1 0 295.339 1.592 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C1CC1 ZINC000449324185 374799246 /nfs/dbraw/zinc/79/92/46/374799246.db2.gz DCELASAIYFOCRZ-IINYFYTJSA-N 1 0 264.325 1.886 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)CC[NH+](C)C ZINC000278088456 374829114 /nfs/dbraw/zinc/82/91/14/374829114.db2.gz XVULJBPBPJPBLZ-NSHDSACASA-N 1 0 279.340 1.973 20 5 CDBDRO C[C@@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])cn2)CCCO1 ZINC000277393074 374785477 /nfs/dbraw/zinc/78/54/77/374785477.db2.gz GLTPHEREIXOSBO-GFCCVEGCSA-N 1 0 294.355 1.903 20 5 CDBDRO Cc1nc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000278279557 374836974 /nfs/dbraw/zinc/83/69/74/374836974.db2.gz BPOAHGOZKQDHSY-PHIMTYICSA-N 1 0 262.313 1.296 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000332023138 374998183 /nfs/dbraw/zinc/99/81/83/374998183.db2.gz RFGJDWBUELNEIT-WDEREUQCSA-N 1 0 289.335 1.872 20 5 CDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[NH+]1CCC(C)CC1 ZINC000299374682 375166192 /nfs/dbraw/zinc/16/61/92/375166192.db2.gz SDMGHZMTQUAMIO-LLVKDONJSA-N 1 0 294.355 1.773 20 5 CDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[NH2+]C1 ZINC000131849951 375364174 /nfs/dbraw/zinc/36/41/74/375364174.db2.gz SQOQKHVQHDSOGF-UXONFWTHSA-N 1 0 275.308 1.334 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000132759878 375585780 /nfs/dbraw/zinc/58/57/80/375585780.db2.gz JTTHYLQESORCBY-NXEZZACHSA-N 1 0 295.314 1.933 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000132768613 375589876 /nfs/dbraw/zinc/58/98/76/375589876.db2.gz KQJXMQISZVNURJ-NOZJJQNGSA-N 1 0 295.314 1.933 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC(=O)NC1 ZINC000344846461 375596598 /nfs/dbraw/zinc/59/65/98/375596598.db2.gz IVUFQZQJUKRPAM-SVTZGKHISA-N 1 0 289.335 1.866 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441195658 375707520 /nfs/dbraw/zinc/70/75/20/375707520.db2.gz JDKTVVXSARVPMV-NWDGAFQWSA-N 1 0 294.355 1.577 20 5 CDBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCCCCC1 ZINC000428580808 247330328 /nfs/dbraw/zinc/33/03/28/247330328.db2.gz XYFVXQAGKWCXSU-UHFFFAOYSA-N 1 0 280.328 1.704 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@@H+]1C ZINC000357415009 375906920 /nfs/dbraw/zinc/90/69/20/375906920.db2.gz NIBCPGSBRBLTKW-BDAKNGLRSA-N 1 0 266.301 1.135 20 5 CDBDRO C[C@H](CO)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000249005406 376117420 /nfs/dbraw/zinc/11/74/20/376117420.db2.gz ZJRBNPCTAYTSRZ-NEPJUHHUSA-N 1 0 298.339 1.037 20 5 CDBDRO CCc1nn(C)c(N2CC[N@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000487046242 376587752 /nfs/dbraw/zinc/58/77/52/376587752.db2.gz MYKMAKCONDATOH-LBPRGKRZSA-N 1 0 295.387 1.667 20 5 CDBDRO Cc1nc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ncc1[N+](=O)[O-] ZINC000296667987 376690858 /nfs/dbraw/zinc/69/08/58/376690858.db2.gz ZAWOXUSHDWDIAZ-QWRGUYRKSA-N 1 0 277.328 1.732 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435234997 248159266 /nfs/dbraw/zinc/15/92/66/248159266.db2.gz BXRGCTLITLKVSF-CYBMUJFWSA-N 1 0 275.308 1.561 20 5 CDBDRO C[NH2+]CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000435880828 248205417 /nfs/dbraw/zinc/20/54/17/248205417.db2.gz LTPGBPBQYKMMGP-UHFFFAOYSA-N 1 0 278.356 1.326 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000189307103 377228518 /nfs/dbraw/zinc/22/85/18/377228518.db2.gz OQUTYFVGEBWQJR-KCJUWKMLSA-N 1 0 281.287 1.604 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000189310197 377228675 /nfs/dbraw/zinc/22/86/75/377228675.db2.gz WORUGPVUUGBPTL-ZWNOBZJWSA-N 1 0 277.324 1.394 20 5 CDBDRO CCC[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000266857457 377748683 /nfs/dbraw/zinc/74/86/83/377748683.db2.gz UWOUKXWJAMSGQT-UHFFFAOYSA-N 1 0 264.329 1.830 20 5 CDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(C)(C)C[NH+](C)C ZINC000173053149 377845018 /nfs/dbraw/zinc/84/50/18/377845018.db2.gz KIZQCJANQIFGHU-SECBINFHSA-N 1 0 283.328 1.894 20 5 CDBDRO C[C@H]1[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000345308465 377906339 /nfs/dbraw/zinc/90/63/39/377906339.db2.gz XMDKPQXOXFKPSQ-GXSJLCMTSA-N 1 0 292.339 1.390 20 5 CDBDRO [NH3+]CC[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])C(F)F ZINC000383529168 378857393 /nfs/dbraw/zinc/85/73/93/378857393.db2.gz YKGUSZCWVKZFTF-MRVPVSSYSA-N 1 0 291.229 1.446 20 5 CDBDRO CO[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000443206061 250015310 /nfs/dbraw/zinc/01/53/10/250015310.db2.gz VSOMYUSYDADJPY-MNOVXSKESA-N 1 0 295.339 1.936 20 5 CDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)[NH+](C)C ZINC000443435794 250028896 /nfs/dbraw/zinc/02/88/96/250028896.db2.gz HKRKIKRSTRRBIK-VIFPVBQESA-N 1 0 280.328 1.316 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000041028377 379249525 /nfs/dbraw/zinc/24/95/25/379249525.db2.gz FZYSIYAJIIZLNO-NSHDSACASA-N 1 0 263.297 1.087 20 5 CDBDRO C[C@H](Cn1ccnc1)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000042375596 379583213 /nfs/dbraw/zinc/58/32/13/379583213.db2.gz AIDCXHJWJVKZBR-SECBINFHSA-N 1 0 289.295 1.391 20 5 CDBDRO CCC[C@@](C)(NCCn1cc([N+](=O)[O-])cn1)C(=O)OC ZINC000174856515 379592040 /nfs/dbraw/zinc/59/20/40/379592040.db2.gz USSRFEDWCAANSG-GFCCVEGCSA-N 1 0 284.316 1.113 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C1CC1 ZINC000449324187 250802234 /nfs/dbraw/zinc/80/22/34/250802234.db2.gz DCELASAIYFOCRZ-YGRLFVJLSA-N 1 0 264.325 1.886 20 5 CDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+]1C1CC1 ZINC000279163059 194313008 /nfs/dbraw/zinc/31/30/08/194313008.db2.gz BPPGOISVDFZDFI-CQSZACIVSA-N 1 0 289.335 1.838 20 5 CDBDRO Cc1nc(NCC[NH+]2[C@@H](C)CCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000450326721 251225280 /nfs/dbraw/zinc/22/52/80/251225280.db2.gz ZGADVFQAFOCLIS-QWRGUYRKSA-N 1 0 293.371 1.790 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000312148917 533026820 /nfs/dbraw/zinc/02/68/20/533026820.db2.gz LIZXMFHXWWJRCZ-KMSCOEIWSA-N 1 0 275.308 1.428 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]([NH+]3CCCCC3)C2)nc1 ZINC000273650948 285176295 /nfs/dbraw/zinc/17/62/95/285176295.db2.gz UKVMSVJJRUOBPZ-LLVKDONJSA-N 1 0 277.328 1.449 20 5 CDBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000281243050 195164409 /nfs/dbraw/zinc/16/44/09/195164409.db2.gz UQGKSCUXHITTGX-CQSZACIVSA-N 1 0 277.324 1.553 20 5 CDBDRO CO[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000359042144 390209235 /nfs/dbraw/zinc/20/92/35/390209235.db2.gz KEHGOTMZDKDQBH-QWRGUYRKSA-N 1 0 297.330 1.672 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000261694468 390482411 /nfs/dbraw/zinc/48/24/11/390482411.db2.gz HZPJYRUWVZLQRP-QMMMGPOBSA-N 1 0 293.352 1.917 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC([C@@H](C)[NH3+])CC1 ZINC000261798511 390486393 /nfs/dbraw/zinc/48/63/93/390486393.db2.gz RBDWFHXQQXICFQ-SECBINFHSA-N 1 0 281.360 1.683 20 5 CDBDRO [NH3+]CCCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000420236328 390577695 /nfs/dbraw/zinc/57/76/95/390577695.db2.gz PHGZZVPLDQPQJK-UHFFFAOYSA-N 1 0 278.312 1.630 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000451425443 390619444 /nfs/dbraw/zinc/61/94/44/390619444.db2.gz UEBQIIFQGOTRLG-MJBXVCDLSA-N 1 0 294.355 1.417 20 5 CDBDRO CC1(C)[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@H]2CCCO[C@@H]21 ZINC000451474756 390626025 /nfs/dbraw/zinc/62/60/25/390626025.db2.gz BHUJDEPMFXNOAB-RTXFEEFZSA-N 1 0 294.355 1.585 20 5 CDBDRO CO[C@]1(C)C[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000451499235 390626698 /nfs/dbraw/zinc/62/66/98/390626698.db2.gz WXCWSGNYIFCIQW-ZWNOBZJWSA-N 1 0 282.344 1.585 20 5 CDBDRO CCO[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000451550918 390632502 /nfs/dbraw/zinc/63/25/02/390632502.db2.gz XGABTLUODIIEIF-YPMHNXCESA-N 1 0 282.344 1.538 20 5 CDBDRO CCc1nn(C)c(N[C@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000158477886 390799512 /nfs/dbraw/zinc/79/95/12/390799512.db2.gz IKZDDDVTHUIHPB-ZJUUUORDSA-N 1 0 281.360 1.785 20 5 CDBDRO CNc1nc(C(=O)NCC(C)(C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000454306652 391051818 /nfs/dbraw/zinc/05/18/18/391051818.db2.gz SVTISTHJBCNCDA-UHFFFAOYSA-N 1 0 295.343 1.102 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@H]2C[NH+](C)C[C@@H]2C1 ZINC000357695441 391087606 /nfs/dbraw/zinc/08/76/06/391087606.db2.gz YJNUMJKTXCPFOO-VXGBXAGGSA-N 1 0 261.325 1.901 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000458191271 391114510 /nfs/dbraw/zinc/11/45/10/391114510.db2.gz OBQQBFOOEIKQAH-JTQLQIEISA-N 1 0 281.312 1.650 20 5 CDBDRO O=[N+]([O-])c1ccc2ccnc(NC[C@@H]3COCCO3)c2c1 ZINC000413072109 391155457 /nfs/dbraw/zinc/15/54/57/391155457.db2.gz NWXLRVKXVNRKAA-GFCCVEGCSA-N 1 0 289.291 1.970 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH2+]C[C@H]1C(F)F ZINC000518535145 391190894 /nfs/dbraw/zinc/19/08/94/391190894.db2.gz YUXKIRSTFLNYFH-LBPRGKRZSA-N 1 0 285.294 1.942 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CC1(C)C ZINC000489488196 391223405 /nfs/dbraw/zinc/22/34/05/391223405.db2.gz UEFXFQUXSKMKHX-NSHDSACASA-N 1 0 265.313 1.487 20 5 CDBDRO C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408067113 391230326 /nfs/dbraw/zinc/23/03/26/391230326.db2.gz AVYDIAQGSGRFCO-WDEREUQCSA-N 1 0 277.324 1.759 20 5 CDBDRO O=[N+]([O-])c1ccc(CNC[C@H]2C[NH2+]CCCO2)cc1 ZINC000415032150 391248007 /nfs/dbraw/zinc/24/80/07/391248007.db2.gz FSLCIBOVXCVJEL-CYBMUJFWSA-N 1 0 265.313 1.063 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000415413194 391405909 /nfs/dbraw/zinc/40/59/09/391405909.db2.gz CYYUYZKILQEBRI-NSHDSACASA-N 1 0 292.339 1.976 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000186714873 391438733 /nfs/dbraw/zinc/43/87/33/391438733.db2.gz KWTQMVOEMQUYDU-GXFFZTMASA-N 1 0 293.323 1.088 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC(C)(C)C[NH3+] ZINC000415505780 391468371 /nfs/dbraw/zinc/46/83/71/391468371.db2.gz QOZLCISQENHYIK-UHFFFAOYSA-N 1 0 266.301 1.762 20 5 CDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[NH2+]CC1 ZINC000415627808 391469698 /nfs/dbraw/zinc/46/96/98/391469698.db2.gz CVGBEDZFRKXNRR-UHFFFAOYSA-N 1 0 282.275 1.561 20 5 CDBDRO COC[C@@H](CCO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268971395 391474270 /nfs/dbraw/zinc/47/42/70/391474270.db2.gz AOYNVQYNULMJNG-NWDGAFQWSA-N 1 0 282.340 1.951 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]([NH3+])C(C)C)c1 ZINC000269274716 391644417 /nfs/dbraw/zinc/64/44/17/391644417.db2.gz OARUXUYMPUPVQE-NSHDSACASA-N 1 0 281.312 1.317 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000189314144 129951947 /nfs/dbraw/zinc/95/19/47/129951947.db2.gz KYBSZZNJAHWYGD-PWSUYJOCSA-N 1 0 277.324 1.774 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192640044 391725236 /nfs/dbraw/zinc/72/52/36/391725236.db2.gz IUMFINHKPCDRFU-NEPJUHHUSA-N 1 0 293.371 1.793 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@H]1CO ZINC000189733738 130018611 /nfs/dbraw/zinc/01/86/11/130018611.db2.gz IDGYCVGYPGMFQT-ZWNOBZJWSA-N 1 0 280.324 1.806 20 5 CDBDRO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304284000 130063253 /nfs/dbraw/zinc/06/32/53/130063253.db2.gz FFUOBTHFXTWIBW-NTZNESFSSA-N 1 0 282.344 1.130 20 5 CDBDRO Cc1cccc(C(=O)NCC2([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000416291655 391983429 /nfs/dbraw/zinc/98/34/29/391983429.db2.gz PFZXMPHJDDLPQY-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO CC(C)[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1C ZINC000487998537 391942574 /nfs/dbraw/zinc/94/25/74/391942574.db2.gz IJKZYEPBWXXVGJ-LBPRGKRZSA-N 1 0 281.360 1.063 20 5 CDBDRO CCc1ccc(C(=O)N2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000237136570 131007069 /nfs/dbraw/zinc/00/70/69/131007069.db2.gz MCBAOAHWKPFDPS-LLVKDONJSA-N 1 0 291.351 1.968 20 5 CDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CCC[NH2+]1 ZINC000237256858 131018691 /nfs/dbraw/zinc/01/86/91/131018691.db2.gz HDBKYDJCYOLSBI-LBPRGKRZSA-N 1 0 297.742 1.959 20 5 CDBDRO Cc1sc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237701640 131053183 /nfs/dbraw/zinc/05/31/83/131053183.db2.gz OEBGRTPSBMPSMB-BDAKNGLRSA-N 1 0 283.353 1.822 20 5 CDBDRO [NH3+]CC1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000238030101 131073637 /nfs/dbraw/zinc/07/36/37/131073637.db2.gz PTWAMMNQGBOSDB-UHFFFAOYSA-N 1 0 293.323 1.171 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261580180 131154063 /nfs/dbraw/zinc/15/40/63/131154063.db2.gz FGDBVNCQAPGJCK-PSASIEDQSA-N 1 0 281.337 1.480 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261664938 131160604 /nfs/dbraw/zinc/16/06/04/131160604.db2.gz FKVQBIQLIRCYIJ-BREBYQMCSA-N 1 0 277.324 1.711 20 5 CDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CCC[NH2+]C1 ZINC000261995708 131182169 /nfs/dbraw/zinc/18/21/69/131182169.db2.gz NRWPEQRVYAVDKP-NXEZZACHSA-N 1 0 292.339 1.295 20 5 CDBDRO Cc1sc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000262761460 131259466 /nfs/dbraw/zinc/25/94/66/131259466.db2.gz AGPONLFEQQVWOD-VXNVDRBHSA-N 1 0 283.353 1.835 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000262818637 131264376 /nfs/dbraw/zinc/26/43/76/131264376.db2.gz SDWKOGXBYDWYPB-GHMZBOCLSA-N 1 0 293.323 1.182 20 5 CDBDRO CN(CCn1cc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442767531 392494151 /nfs/dbraw/zinc/49/41/51/392494151.db2.gz RCLXWXYXZIWBOK-FOSCPWQOSA-N 1 0 279.344 1.006 20 5 CDBDRO CC(=O)N[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000420992843 392924066 /nfs/dbraw/zinc/92/40/66/392924066.db2.gz YPWHBDOWMNTYJS-CYBMUJFWSA-N 1 0 277.324 1.348 20 5 CDBDRO CCN(CCC[NH+](C)C)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000425252881 393005452 /nfs/dbraw/zinc/00/54/52/393005452.db2.gz HYQMWDPWYPJODO-UHFFFAOYSA-N 1 0 294.355 1.472 20 5 CDBDRO CCc1ccc(C(=O)NC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000194933748 393019909 /nfs/dbraw/zinc/01/99/09/393019909.db2.gz BHCWTOGZZGCQOZ-QMMMGPOBSA-N 1 0 251.286 1.234 20 5 CDBDRO COC(=O)c1cc(NC(=O)C[C@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000430193685 393090778 /nfs/dbraw/zinc/09/07/78/393090778.db2.gz SKHPICPLGPRVIG-ZETCQYMHSA-N 1 0 281.268 1.057 20 5 CDBDRO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000430932133 393105688 /nfs/dbraw/zinc/10/56/88/393105688.db2.gz FRAQRCZPVKOAFX-BXUZGUMPSA-N 1 0 279.340 1.643 20 5 CDBDRO C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](CO)O1 ZINC000191521522 393117704 /nfs/dbraw/zinc/11/77/04/393117704.db2.gz NVIUGNFBWQNGRT-FAQJLRJSSA-N 1 0 292.335 1.690 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000449295374 393133700 /nfs/dbraw/zinc/13/37/00/393133700.db2.gz RTVLIAUODPFKCK-KYOSRNDESA-N 1 0 294.351 1.655 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCO[C@H]1C ZINC000449291610 393134295 /nfs/dbraw/zinc/13/42/95/393134295.db2.gz MTGKXHULOPXZES-TYNCELHUSA-N 1 0 294.351 1.655 20 5 CDBDRO CO[C@H](C)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332674779 393156198 /nfs/dbraw/zinc/15/61/98/393156198.db2.gz CRSUCQDQQPKHGA-SNVBAGLBSA-N 1 0 250.298 1.988 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000135230171 139885702 /nfs/dbraw/zinc/88/57/02/139885702.db2.gz HYLYGUVHHJCCDA-PHIMTYICSA-N 1 0 277.324 1.726 20 5 CDBDRO C[C@@]1(C(=O)NCc2ccccc2[N+](=O)[O-])CCCC[NH2+]1 ZINC000136157397 139891532 /nfs/dbraw/zinc/89/15/32/139891532.db2.gz MMBRNYJGNAJYPB-AWEZNQCLSA-N 1 0 277.324 1.743 20 5 CDBDRO C[NH+](C)CCOCCNc1ccccc1[N+](=O)[O-] ZINC000226738164 140180569 /nfs/dbraw/zinc/18/05/69/140180569.db2.gz OEVOBYVXPQXTRD-UHFFFAOYSA-N 1 0 253.302 1.585 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000229591474 140202452 /nfs/dbraw/zinc/20/24/52/140202452.db2.gz NZLIGVOMTJLYDG-JOYOIKCWSA-N 1 0 299.352 1.014 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000231856450 140219971 /nfs/dbraw/zinc/21/99/71/140219971.db2.gz ZBKFMLUDBRUIQN-NSHDSACASA-N 1 0 263.297 1.271 20 5 CDBDRO O=[N+]([O-])c1cc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)cs1 ZINC000261586893 140357340 /nfs/dbraw/zinc/35/73/40/140357340.db2.gz URLWJEXSFNKWGJ-GHMZBOCLSA-N 1 0 267.354 1.840 20 5 CDBDRO COCC1(CNc2ncc(C)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000261705745 140377854 /nfs/dbraw/zinc/37/78/54/140377854.db2.gz OTOIZLYNYDOPNM-UHFFFAOYSA-N 1 0 294.355 1.726 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000261717291 140380273 /nfs/dbraw/zinc/38/02/73/140380273.db2.gz JXUPQVHBZBXUGF-AWEZNQCLSA-N 1 0 277.324 1.714 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000261825527 140395321 /nfs/dbraw/zinc/39/53/21/140395321.db2.gz UFTQKAIZUAFIMM-AWEZNQCLSA-N 1 0 277.324 1.335 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178785999 148087953 /nfs/dbraw/zinc/08/79/53/148087953.db2.gz GSIHNKFNVBBTFF-VIFPVBQESA-N 1 0 279.296 1.085 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000262808268 149116270 /nfs/dbraw/zinc/11/62/70/149116270.db2.gz QKZDBCFFFXMGJB-WDEREUQCSA-N 1 0 277.324 1.726 20 5 CDBDRO C[C@@H]1C[N@H+](C)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000343774068 152298113 /nfs/dbraw/zinc/29/81/13/152298113.db2.gz AZYSCJGDPXEACI-GFCCVEGCSA-N 1 0 279.340 1.610 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CC[NH3+] ZINC000349988094 154299899 /nfs/dbraw/zinc/29/98/99/154299899.db2.gz MIKCRXYMYKHFEX-MRVPVSSYSA-N 1 0 267.285 1.071 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](O)C(F)F ZINC000350092111 154326232 /nfs/dbraw/zinc/32/62/32/154326232.db2.gz FQDPKELWWZOATJ-SNVBAGLBSA-N 1 0 260.240 1.619 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351746832 154682673 /nfs/dbraw/zinc/68/26/73/154682673.db2.gz HJBAAWGGUWOEEC-WCBMZHEXSA-N 1 0 278.312 1.108 20 5 CDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000362480107 159157992 /nfs/dbraw/zinc/15/79/92/159157992.db2.gz QNPMPGLKWZVXHW-NSHDSACASA-N 1 0 294.355 1.347 20 5 CDBDRO Cc1cccc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c1[N+](=O)[O-] ZINC000132028017 292424365 /nfs/dbraw/zinc/42/43/65/292424365.db2.gz JVXQSESDZOTNJB-QWRGUYRKSA-N 1 0 277.324 1.713 20 5 CDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000373428777 160200079 /nfs/dbraw/zinc/20/00/79/160200079.db2.gz ZMENROANZZHDRQ-UKRRQHHQSA-N 1 0 289.335 1.253 20 5 CDBDRO C[N@@H+]1CCCC12CCN(CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000374624393 160302134 /nfs/dbraw/zinc/30/21/34/160302134.db2.gz PWNXJURSBIGMGW-UHFFFAOYSA-N 1 0 293.371 1.352 20 5 CDBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285234265 196227476 /nfs/dbraw/zinc/22/74/76/196227476.db2.gz YKKRUFBURIQBDU-UHFFFAOYSA-N 1 0 295.343 1.311 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H]2CCCCNC2=O)cc1[N+](=O)[O-] ZINC000037282666 173090480 /nfs/dbraw/zinc/09/04/80/173090480.db2.gz IXYREXJSNAAGAU-GFCCVEGCSA-N 1 0 277.324 1.662 20 5 CDBDRO C[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000038572856 174147631 /nfs/dbraw/zinc/14/76/31/174147631.db2.gz NNYCSWBCUKMZJJ-UHFFFAOYSA-N 1 0 267.285 1.259 20 5 CDBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cn1)C[NH+]1CCCCC1 ZINC000040454834 174267146 /nfs/dbraw/zinc/26/71/46/174267146.db2.gz RSNLAJYVMGRDDF-NSHDSACASA-N 1 0 279.344 1.919 20 5 CDBDRO CC(C)NC(=O)[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040676115 174373731 /nfs/dbraw/zinc/37/37/31/174373731.db2.gz MRSVCTZELGFVHJ-NSHDSACASA-N 1 0 279.340 1.640 20 5 CDBDRO O=C(NC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1F ZINC000043571119 175068529 /nfs/dbraw/zinc/06/85/29/175068529.db2.gz RZRUCLIBTDDFRI-UHFFFAOYSA-N 1 0 267.260 1.216 20 5 CDBDRO COCCOCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000044694045 175234933 /nfs/dbraw/zinc/23/49/33/175234933.db2.gz MGPUTOQTIWPVOY-LLVKDONJSA-N 1 0 268.313 1.908 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])s1 ZINC000071397190 176150684 /nfs/dbraw/zinc/15/06/84/176150684.db2.gz HHCBKXNAXKHCNA-SSDOTTSWSA-N 1 0 255.299 1.138 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000417857220 226655681 /nfs/dbraw/zinc/65/56/81/226655681.db2.gz UAGZRGKBORZZIG-UWVGGRQHSA-N 1 0 280.328 1.611 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000186837407 287625592 /nfs/dbraw/zinc/62/55/92/287625592.db2.gz JZNBVATYURWGEW-KOLCDFICSA-N 1 0 263.297 1.323 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000394576903 261755535 /nfs/dbraw/zinc/75/55/35/261755535.db2.gz WRIBWJQBFYFCEG-RQJHMYQMSA-N 1 0 255.249 1.199 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC(C)(C)C[NH+](C)C ZINC000516836202 270490886 /nfs/dbraw/zinc/49/08/86/270490886.db2.gz QKFJLILFBGMYRG-UHFFFAOYSA-N 1 0 282.344 1.251 20 5 CDBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000289798042 273736550 /nfs/dbraw/zinc/73/65/50/273736550.db2.gz YZGPCEOIGWLBFQ-STQMWFEESA-N 1 0 291.351 1.941 20 5 CDBDRO C[C@@H](O)CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000439001074 274265302 /nfs/dbraw/zinc/26/53/02/274265302.db2.gz BGRSOJVTUQBJGC-GFCCVEGCSA-N 1 0 279.340 1.488 20 5 CDBDRO Cc1cc(N2CC[C@@H]([C@H](C)[NH3+])C2)ncc1[N+](=O)[O-] ZINC000228162496 274710143 /nfs/dbraw/zinc/71/01/43/274710143.db2.gz UCALGXHFANNVCW-VHSXEESVSA-N 1 0 250.302 1.472 20 5 CDBDRO [NH3+][C@@H]1Cc2ccccc2N(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000420395804 274960569 /nfs/dbraw/zinc/96/05/69/274960569.db2.gz CILOZKZMTSRJQX-GFCCVEGCSA-N 1 0 287.323 1.181 20 5 CDBDRO O=C1[C@@H]([NH+]2CCCC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067374444 275027773 /nfs/dbraw/zinc/02/77/73/275027773.db2.gz AIDQRQZQUIYNDA-ZDUSSCGKSA-N 1 0 275.308 1.796 20 5 CDBDRO O=[N+]([O-])c1c(N[C@@H]2CCC[NH2+]C2)nc2sccn21 ZINC000071397768 275032801 /nfs/dbraw/zinc/03/28/01/275032801.db2.gz HUIHSWPUGYPCAR-SSDOTTSWSA-N 1 0 267.314 1.468 20 5 CDBDRO CC(C)([NH3+])CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000236626542 275863032 /nfs/dbraw/zinc/86/30/32/275863032.db2.gz BPDUOQPMMIIBIA-UHFFFAOYSA-N 1 0 271.704 1.715 20 5 CDBDRO CC[N@H+](CCOCCO)Cc1ccccc1[N+](=O)[O-] ZINC000336807806 276133560 /nfs/dbraw/zinc/13/35/60/276133560.db2.gz NEVVFHGPUVXONI-UHFFFAOYSA-N 1 0 268.313 1.426 20 5 CDBDRO CNC(=O)c1ccc(N2CCC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000212640160 277017110 /nfs/dbraw/zinc/01/71/10/277017110.db2.gz RBWBLJKTFSJYCP-SNVBAGLBSA-N 1 0 292.339 1.130 20 5 CDBDRO C[NH+]1CCC2(CCCN(c3ncc([N+](=O)[O-])cn3)C2)CC1 ZINC000369863479 277036793 /nfs/dbraw/zinc/03/67/93/277036793.db2.gz LUQVKDGQVMILRF-UHFFFAOYSA-N 1 0 291.355 1.697 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000261723987 277297432 /nfs/dbraw/zinc/29/74/32/277297432.db2.gz LACGSLQGZNPZBW-SECBINFHSA-N 1 0 283.353 1.411 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000237456673 278247326 /nfs/dbraw/zinc/24/73/26/278247326.db2.gz CHVIEGWXAJPQQR-ZETCQYMHSA-N 1 0 255.249 1.153 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000262549626 278250082 /nfs/dbraw/zinc/25/00/82/278250082.db2.gz XJIRPTNAXZDHSE-IUCAKERBSA-N 1 0 283.353 1.539 20 5 CDBDRO C[C@@H]([NH2+]CC(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000157971467 278337706 /nfs/dbraw/zinc/33/77/06/278337706.db2.gz QHDRSLLFNSIPLV-LLVKDONJSA-N 1 0 277.324 1.868 20 5 CDBDRO C[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000261581079 278798683 /nfs/dbraw/zinc/79/86/83/278798683.db2.gz QJWNEIREQGAYTE-PSASIEDQSA-N 1 0 253.277 1.907 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000044531934 279145986 /nfs/dbraw/zinc/14/59/86/279145986.db2.gz MSZSVAMRFLIXBL-QMMMGPOBSA-N 1 0 281.341 1.479 20 5 CDBDRO C[C@H](CO)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000129300607 279360708 /nfs/dbraw/zinc/36/07/08/279360708.db2.gz FLEZULKLSAHEEN-ZWNOBZJWSA-N 1 0 264.325 1.886 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000449592115 279411334 /nfs/dbraw/zinc/41/13/34/279411334.db2.gz NMFMFXPTGUFAEE-UWVGGRQHSA-N 1 0 280.328 1.249 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000217596000 280089316 /nfs/dbraw/zinc/08/93/16/280089316.db2.gz AFTWRAMUNXZGAE-LJTDUEICSA-N 1 0 289.335 1.948 20 5 CDBDRO Cc1sc(C(=O)N2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000237696460 280185102 /nfs/dbraw/zinc/18/51/02/280185102.db2.gz AGEROMRDJBEVDC-VIFPVBQESA-N 1 0 283.353 1.776 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@@H]1C[NH3+] ZINC000237716755 280185444 /nfs/dbraw/zinc/18/54/44/280185444.db2.gz VSFPVOHQFLWRAG-JOYOIKCWSA-N 1 0 292.339 1.376 20 5 CDBDRO Cc1c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000093649998 280226982 /nfs/dbraw/zinc/22/69/82/280226982.db2.gz VMEWZSGYSZLMNT-UHFFFAOYSA-N 1 0 260.297 1.927 20 5 CDBDRO C[C@H](CO)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H](C)O ZINC000248907459 280393347 /nfs/dbraw/zinc/39/33/47/280393347.db2.gz IGXFVMYHOGTDQG-NEPJUHHUSA-N 1 0 298.339 1.037 20 5 CDBDRO Cc1ccnc(N2CC[C@H](C)[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000163978520 281462136 /nfs/dbraw/zinc/46/21/36/281462136.db2.gz KABPHWCUEQKZFQ-GXSJLCMTSA-N 1 0 264.329 1.719 20 5 CDBDRO C[NH+](C)[C@@H]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255519452 289374892 /nfs/dbraw/zinc/37/48/92/289374892.db2.gz ZXEHUPDTAAHANE-MEJMFZKBSA-N 1 0 289.335 1.771 20 5 CDBDRO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000544416090 289636971 /nfs/dbraw/zinc/63/69/71/289636971.db2.gz WNSCBBALIQIDTH-GFCCVEGCSA-N 1 0 295.339 1.794 20 5 CDBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000568530952 294056028 /nfs/dbraw/zinc/05/60/28/294056028.db2.gz ZLZVCYQYWGPWBI-UHFFFAOYSA-N 1 0 267.329 1.877 20 5 CDBDRO CCOCC[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000571277415 294401107 /nfs/dbraw/zinc/40/11/07/294401107.db2.gz VPKZVXWETPVRAI-ZDUSSCGKSA-N 1 0 298.339 1.481 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@]1(CO)CCOC1 ZINC000572060831 294550845 /nfs/dbraw/zinc/55/08/45/294550845.db2.gz RWRORFWYFXJGFF-OCCSQVGLSA-N 1 0 278.308 1.323 20 5 CDBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000296771839 295621009 /nfs/dbraw/zinc/62/10/09/295621009.db2.gz AKRHNCQOACSABO-UHFFFAOYSA-N 1 0 293.323 1.935 20 5 CDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCCC[NH2+]C1CC1 ZINC000575407387 316994326 /nfs/dbraw/zinc/99/43/26/316994326.db2.gz NKONEDUNYMLZLW-UHFFFAOYSA-N 1 0 293.323 1.232 20 5 CDBDRO Cc1c(CC(=O)NCC2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000575741399 317004880 /nfs/dbraw/zinc/00/48/80/317004880.db2.gz VUTGVXSQTHNKNF-UHFFFAOYSA-N 1 0 291.351 1.562 20 5 CDBDRO Cc1c(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cccc1[N+](=O)[O-] ZINC000576684925 317185866 /nfs/dbraw/zinc/18/58/66/317185866.db2.gz KJBFFTBZUMUKAX-MFKMUULPSA-N 1 0 290.323 1.729 20 5 CDBDRO CO[C@@H](C)[C@@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000577484739 317337784 /nfs/dbraw/zinc/33/77/84/317337784.db2.gz VITXOMJWAKSYOQ-NTZNESFSSA-N 1 0 298.339 1.348 20 5 CDBDRO C[C@@H]1[NH2+]CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000379490855 323601686 /nfs/dbraw/zinc/60/16/86/323601686.db2.gz GQQSXECXAXXLLY-MUDVKMOPSA-N 1 0 289.335 1.817 20 5 CDBDRO COc1ccc(C(=O)N[C@@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000381473130 323627686 /nfs/dbraw/zinc/62/76/86/323627686.db2.gz LTRUGUWNVNHKJZ-YUMQZZPRSA-N 1 0 267.285 1.069 20 5 CDBDRO Cc1nc(N2CC[N@@H+](C)[C@H](C)[C@H]2C)ncc1[N+](=O)[O-] ZINC000579796538 324280678 /nfs/dbraw/zinc/28/06/78/324280678.db2.gz WMRNSWFIZWVJEW-NXEZZACHSA-N 1 0 265.317 1.222 20 5 CDBDRO CCc1cc(NC2C[NH2+]C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000582835699 325052877 /nfs/dbraw/zinc/05/28/77/325052877.db2.gz PZHBGSUMKHPOHY-UHFFFAOYSA-N 1 0 299.334 1.420 20 5 CDBDRO COC(=O)c1cnc(O[C@H](C)C[N+](C)(C)C)c([N+](=O)[O-])c1 ZINC001233862101 1161092537 /nfs/dbraw/zinc/09/25/37/1161092537.db2.gz OVLYKNWFHJHVPS-SECBINFHSA-N 1 0 298.319 1.250 20 5 CDBDRO COCC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000338383342 521975410 /nfs/dbraw/zinc/97/54/10/521975410.db2.gz QOUIJWDHJXRRMP-NSHDSACASA-N 1 0 284.360 1.832 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000157340975 533891915 /nfs/dbraw/zinc/89/19/15/533891915.db2.gz VADGHTOHTDLGNZ-SECBINFHSA-N 1 0 280.328 1.247 20 5 CDBDRO CCC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168998181 1161997151 /nfs/dbraw/zinc/99/71/51/1161997151.db2.gz JGJNJKIZZCFQAO-XDQVBPFNSA-N 1 0 297.399 1.859 20 5 CDBDRO Cc1cccc(C(=O)NCCOCC[NH+](C)C)c1[N+](=O)[O-] ZINC000540845741 518190128 /nfs/dbraw/zinc/19/01/28/518190128.db2.gz IXDDPYXSDHZFKB-UHFFFAOYSA-N 1 0 295.339 1.211 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054346409 520685197 /nfs/dbraw/zinc/68/51/97/520685197.db2.gz HSFDJLFRUNUMJI-UHFFFAOYSA-N 1 0 283.303 1.806 20 5 CDBDRO CNc1ccc(C(=O)NC[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000050770057 522591253 /nfs/dbraw/zinc/59/12/53/522591253.db2.gz WDZWAZGCTGBMAJ-SNVBAGLBSA-N 1 0 292.339 1.318 20 5 CDBDRO COc1ccc(CN2[C@H](C)C[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000069134949 524043657 /nfs/dbraw/zinc/04/36/57/524043657.db2.gz IIVQJKJUYWRGBT-PHIMTYICSA-N 1 0 279.340 1.786 20 5 CDBDRO C[C@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000163537273 524244464 /nfs/dbraw/zinc/24/44/64/524244464.db2.gz XNNHSMCQEZAQLF-WCQYABFASA-N 1 0 291.351 1.581 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@@H+](C)CCN1C ZINC000068806805 525570783 /nfs/dbraw/zinc/57/07/83/525570783.db2.gz OQOFTLMCDQZCOH-CYBMUJFWSA-N 1 0 278.356 1.561 20 5 CDBDRO COc1cc(C(=O)N[C@@H](C)CC[NH3+])c([N+](=O)[O-])cc1OC ZINC000314379153 536497991 /nfs/dbraw/zinc/49/79/91/536497991.db2.gz QXGWMQJGUFLGCP-QMMMGPOBSA-N 1 0 297.311 1.079 20 5 CDBDRO [NH3+]C[C@H](Nc1ncccc1[N+](=O)[O-])C1CCCC1 ZINC000236242309 527228609 /nfs/dbraw/zinc/22/86/09/527228609.db2.gz WWIZCODHMLSHNH-JTQLQIEISA-N 1 0 250.302 1.919 20 5 CDBDRO CC(C)([NH3+])CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000311255526 527241797 /nfs/dbraw/zinc/24/17/97/527241797.db2.gz GNFWARLVNDBFSR-SREVYHEPSA-N 1 0 263.297 1.462 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[C@H](O)C2)cc1 ZINC000188812698 527351164 /nfs/dbraw/zinc/35/11/64/527351164.db2.gz SMRJMTYUKCDITA-AAEUAGOBSA-N 1 0 250.298 1.845 20 5 CDBDRO CCC[N@H+](CC)CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000177026971 527976719 /nfs/dbraw/zinc/97/67/19/527976719.db2.gz DBZKVLNMPVROEJ-UHFFFAOYSA-N 1 0 294.355 1.639 20 5 CDBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc([N+](=O)[O-])ccc2OC)n1 ZINC000261720741 536346002 /nfs/dbraw/zinc/34/60/02/536346002.db2.gz JMZUAGOYUVGTPW-QMMMGPOBSA-N 1 0 292.295 1.804 20 5 CDBDRO COc1ccc(-c2nc(C3([NH3+])CCC3)no2)cc1[N+](=O)[O-] ZINC000261627716 536510211 /nfs/dbraw/zinc/51/02/11/536510211.db2.gz CGVDCBJXGNDYIH-UHFFFAOYSA-N 1 0 290.279 1.991 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCN(C)C1 ZINC000729681898 574820402 /nfs/dbraw/zinc/82/04/02/574820402.db2.gz MNXAOQFWCWVTML-LBPRGKRZSA-N 1 0 279.340 1.787 20 5 CDBDRO COC[C@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761528137 576580931 /nfs/dbraw/zinc/58/09/31/576580931.db2.gz ZVYFBSCRQAPGJG-JTQLQIEISA-N 1 0 288.731 1.735 20 5 CDBDRO Cc1c(C[NH2+][C@@H](CO)C2CC2)cccc1[N+](=O)[O-] ZINC000763070420 576708196 /nfs/dbraw/zinc/70/81/96/576708196.db2.gz PPCOYGLVZLSQQM-LBPRGKRZSA-N 1 0 250.298 1.764 20 5 CDBDRO Cn1cc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000749682188 576957435 /nfs/dbraw/zinc/95/74/35/576957435.db2.gz FHJGXQVGCNQZOG-CYBMUJFWSA-N 1 0 276.296 1.152 20 5 CDBDRO C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000749695226 576958390 /nfs/dbraw/zinc/95/83/90/576958390.db2.gz YSVAGRPIBPNONN-BXUZGUMPSA-N 1 0 279.340 1.264 20 5 CDBDRO CCC[N@H+](CCO)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891485278 617436680 /nfs/dbraw/zinc/43/66/80/617436680.db2.gz NOMLDBPAPAWDPR-UHFFFAOYSA-N 1 0 284.312 1.513 20 5 CDBDRO C[NH2+]CCCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000035697443 617496691 /nfs/dbraw/zinc/49/66/91/617496691.db2.gz WMRSZYXYEAWELY-UHFFFAOYSA-N 1 0 262.269 1.797 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000892687907 617592648 /nfs/dbraw/zinc/59/26/48/617592648.db2.gz VIPTZKOSKQRAQG-LBPRGKRZSA-N 1 0 293.371 1.641 20 5 CDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[NH2+]1 ZINC000217434231 617947401 /nfs/dbraw/zinc/94/74/01/617947401.db2.gz CISJKECTMZCGIJ-XURPKSDJSA-N 1 0 289.335 1.866 20 5 CDBDRO CCO[C@@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@H]1OC ZINC000893068607 618123534 /nfs/dbraw/zinc/12/35/34/618123534.db2.gz RONUNAROHSUMNT-NWANDNLSSA-N 1 0 294.351 1.919 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000892409473 618163529 /nfs/dbraw/zinc/16/35/29/618163529.db2.gz FQANYJLHQMCCEW-LLVKDONJSA-N 1 0 279.344 1.393 20 5 CDBDRO CC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2OC)CC1 ZINC000892426503 618186535 /nfs/dbraw/zinc/18/65/35/618186535.db2.gz UGGJNIIQUCDWAY-UHFFFAOYSA-N 1 0 280.328 1.530 20 5 CDBDRO C[N@@H+]1C[C@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000893933806 618193849 /nfs/dbraw/zinc/19/38/49/618193849.db2.gz CVAVWKJTXSUAPL-KCJUWKMLSA-N 1 0 282.731 1.784 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCSC2)cc1 ZINC000223282698 619297372 /nfs/dbraw/zinc/29/73/72/619297372.db2.gz WPAJEQFRQGIRPD-PWSUYJOCSA-N 1 0 268.338 1.723 20 5 CDBDRO C[C@@H](Nc1ccc([N+](=O)[O-])nc1)[C@@H]1C[N@H+](C)CCN1C ZINC000895245631 619487072 /nfs/dbraw/zinc/48/70/72/619487072.db2.gz HEHCUITYMJYJHD-PWSUYJOCSA-N 1 0 279.344 1.036 20 5 CDBDRO C[C@@H]([NH2+]CC1(N(C)C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000841762844 621019613 /nfs/dbraw/zinc/01/96/13/621019613.db2.gz MLNLISHAPLWACH-SNVBAGLBSA-N 1 0 278.356 1.922 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000899859635 622486638 /nfs/dbraw/zinc/48/66/38/622486638.db2.gz LOTXZXYTCUAEDT-LBPRGKRZSA-N 1 0 267.329 1.673 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@@]3(C2)CCCC[NH2+]3)nc1 ZINC000900404421 623008106 /nfs/dbraw/zinc/00/81/06/623008106.db2.gz VNFIIMQPAUTBFX-GFCCVEGCSA-N 1 0 263.301 1.107 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000903426484 625988853 /nfs/dbraw/zinc/98/88/53/625988853.db2.gz MBUOREYWGZCKHY-CYBMUJFWSA-N 1 0 290.367 1.469 20 5 CDBDRO CC(C)([NH3+])CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000903938464 626156613 /nfs/dbraw/zinc/15/66/13/626156613.db2.gz BRVYXNGHMYVXDT-UHFFFAOYSA-N 1 0 295.339 1.583 20 5 CDBDRO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905081576 626601080 /nfs/dbraw/zinc/60/10/80/626601080.db2.gz IHLHKMZPXDVZLY-LLVKDONJSA-N 1 0 299.758 1.794 20 5 CDBDRO CC1(C)CN(C2(C[NH2+]CC[N+](=O)[O-])CCCCC2)CCO1 ZINC000905101009 626619984 /nfs/dbraw/zinc/61/99/84/626619984.db2.gz HYAHZQPRLUEDJU-UHFFFAOYSA-N 1 0 299.415 1.666 20 5 CDBDRO CCC(CC)[C@@H](CNCC[N+](=O)[O-])[NH+]1CCCC1 ZINC000905109265 626623717 /nfs/dbraw/zinc/62/37/17/626623717.db2.gz DWJAHXDCFZVWDZ-CYBMUJFWSA-N 1 0 257.378 1.753 20 5 CDBDRO CC[C@@H](C[NH2+]CC[N+](=O)[O-])Oc1ccccc1F ZINC000905152948 626638273 /nfs/dbraw/zinc/63/82/73/626638273.db2.gz DRGJIZZAQIGXNP-JTQLQIEISA-N 1 0 256.277 1.849 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000905234816 626716797 /nfs/dbraw/zinc/71/67/97/626716797.db2.gz WEIDFVPXMLZMFZ-AWEZNQCLSA-N 1 0 295.408 1.470 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000905352080 626763761 /nfs/dbraw/zinc/76/37/61/626763761.db2.gz BTNSJCNVWIRUIZ-SNVBAGLBSA-N 1 0 279.123 1.893 20 5 CDBDRO CC(C)Oc1cccc([C@@H](O)C[NH2+]CC[N+](=O)[O-])c1 ZINC000905352082 626764078 /nfs/dbraw/zinc/76/40/78/626764078.db2.gz BYBQTIRYQWUXLX-ZDUSSCGKSA-N 1 0 268.313 1.374 20 5 CDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@H](O)c1c(F)cccc1Cl ZINC000905367243 626785703 /nfs/dbraw/zinc/78/57/03/626785703.db2.gz XTBHBRXIGJFCAE-CPCISQLKSA-N 1 0 276.695 1.767 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[NH3+] ZINC000911739692 629460028 /nfs/dbraw/zinc/46/00/28/629460028.db2.gz BKQQKSPJYCGOKD-QMMMGPOBSA-N 1 0 283.353 1.784 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]CC2(F)COC2)c([N+](=O)[O-])c1 ZINC001170311013 1162334145 /nfs/dbraw/zinc/33/41/45/1162334145.db2.gz YOUZHARUEVQWID-JTQLQIEISA-N 1 0 298.314 1.863 20 5 CDBDRO Cc1c(C)c([N+](=O)[O-])cnc1NC(=[NH2+])N1CCN(C)CC1 ZINC001157915867 1162541433 /nfs/dbraw/zinc/54/14/33/1162541433.db2.gz YIXCYQSFVVCYFU-UHFFFAOYSA-N 1 0 292.343 1.201 20 5 CDBDRO [NH3+]CCc1cnn(-c2nccc3ccc([N+](=O)[O-])cc32)c1 ZINC001158100482 1162718966 /nfs/dbraw/zinc/71/89/66/1162718966.db2.gz KIFFCQGZONZECZ-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO C[C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C[C@@H](C)[NH2+]1 ZINC001158180724 1162763817 /nfs/dbraw/zinc/76/38/17/1162763817.db2.gz YUZMYDSLYTUHRC-HTQZYQBOSA-N 1 0 286.719 1.068 20 5 CDBDRO NC(=O)C1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCCCCC1 ZINC001168967575 1161996077 /nfs/dbraw/zinc/99/60/77/1161996077.db2.gz QYKLSYULCLZQRJ-RYUDHWBXSA-N 1 0 283.372 1.600 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(N[C@H]3C[NH2+]CC[C@H]3F)cnc2c1 ZINC001157445972 1162088594 /nfs/dbraw/zinc/08/85/94/1162088594.db2.gz PYONEABBHRGXAG-SKDRFNHKSA-N 1 0 291.286 1.650 20 5 CDBDRO CO[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH3+] ZINC001158711203 1163482310 /nfs/dbraw/zinc/48/23/10/1163482310.db2.gz PRGKQJBONFNVEA-QWHCGFSZSA-N 1 0 288.307 1.305 20 5 CDBDRO CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000228392816 1164458856 /nfs/dbraw/zinc/45/88/56/1164458856.db2.gz WCHDUFPQXGWPCR-UHFFFAOYSA-N 1 0 291.351 1.738 20 5 CDBDRO O=[N+]([O-])c1ccnc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001155592812 1167249637 /nfs/dbraw/zinc/24/96/37/1167249637.db2.gz SIEUZDPLDQKPMD-SMDDNHRTSA-N 1 0 292.339 1.560 20 5 CDBDRO Cc1cnc(COC(=O)CC(C)(C)[NH3+])c(C)c1[N+](=O)[O-] ZINC001574172335 1170903123 /nfs/dbraw/zinc/90/31/23/1170903123.db2.gz DFADUSNBACUGIY-UHFFFAOYSA-N 1 0 281.312 1.777 20 5 CDBDRO O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)[C@@H]1CC[NH2+]C1 ZINC001574326935 1170949152 /nfs/dbraw/zinc/94/91/52/1170949152.db2.gz LCCPLIUAIIKMAM-SSDOTTSWSA-N 1 0 285.250 1.099 20 5 CDBDRO C[C@H]([NH3+])CONC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001576159516 1171344386 /nfs/dbraw/zinc/34/43/86/1171344386.db2.gz QUQYHCCSYZDTEP-UWJYBYFXSA-N 1 0 279.296 1.093 20 5 CDBDRO C[NH2+]C[C@@H](O)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC001578644690 1171970586 /nfs/dbraw/zinc/97/05/86/1171970586.db2.gz ILGJSAIAIBEIPL-GXFFZTMASA-N 1 0 295.339 1.367 20 5 CDBDRO CNc1ccc(C(=O)N[C@H]2C[C@@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC001578755081 1171995095 /nfs/dbraw/zinc/99/50/95/1171995095.db2.gz ROYPCVXFBCPPRJ-NEPJUHHUSA-N 1 0 292.339 1.492 20 5 CDBDRO [NH3+][C@H](CC1CC1)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001580122545 1172353805 /nfs/dbraw/zinc/35/38/05/1172353805.db2.gz WCHJOSNZBYJZMJ-LLVKDONJSA-N 1 0 292.339 1.250 20 5 CDBDRO O=[N+]([O-])c1cnccc1NC[C@@H]1CCC[NH2+]CC1 ZINC001580876864 1172558727 /nfs/dbraw/zinc/55/87/27/1172558727.db2.gz XZQYPAOMVGXBBE-SNVBAGLBSA-N 1 0 250.302 1.213 20 5 CDBDRO CC(C)[C@@H]([NH3+])CCN(C)c1nn(C)cc1[N+](=O)[O-] ZINC000231672446 1178174874 /nfs/dbraw/zinc/17/48/74/1178174874.db2.gz SIVZJSHKPFSHMX-VIFPVBQESA-N 1 0 255.322 1.138 20 5 CDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(CF)CC1 ZINC001133632777 1163821857 /nfs/dbraw/zinc/82/18/57/1163821857.db2.gz ZXBQWRWBVKCQKV-UHFFFAOYSA-N 1 0 295.314 1.550 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886172180 758942647 /nfs/dbraw/zinc/94/26/47/758942647.db2.gz XSJBVTDQHRSQNH-ZDUSSCGKSA-N 1 0 278.356 1.906 20 5 CDBDRO C[NH2+]CCN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000842473796 759028932 /nfs/dbraw/zinc/02/89/32/759028932.db2.gz HLCBXTCKEARSJM-UHFFFAOYSA-N 1 0 257.721 1.899 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]([NH3+])C1 ZINC000036297147 768857020 /nfs/dbraw/zinc/85/70/20/768857020.db2.gz WDCBNJNNGUCPAT-SNVBAGLBSA-N 1 0 299.352 1.015 20 5 CDBDRO C[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)O1 ZINC000819359478 768873660 /nfs/dbraw/zinc/87/36/60/768873660.db2.gz VWDGIHBDHNIGCJ-SWHYSGLUSA-N 1 0 280.324 1.785 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000826676659 768887867 /nfs/dbraw/zinc/88/78/67/768887867.db2.gz BLWIUJAONLUFCZ-VXGBXAGGSA-N 1 0 285.388 1.811 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000818015519 769022545 /nfs/dbraw/zinc/02/25/45/769022545.db2.gz ZBBRBHCROKSIAR-UHFFFAOYSA-N 1 0 296.283 1.185 20 5 CDBDRO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000776582936 769041424 /nfs/dbraw/zinc/04/14/24/769041424.db2.gz DKUJOACPYSNVED-CYBMUJFWSA-N 1 0 282.340 1.721 20 5 CDBDRO C[C@H]1CCC[C@@H]1[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877831948 769041983 /nfs/dbraw/zinc/04/19/83/769041983.db2.gz CRFXVBDNGXKEKV-BSLXNSKLSA-N 1 0 294.351 1.767 20 5 CDBDRO C[N@H+](CCO)CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000884823886 769348904 /nfs/dbraw/zinc/34/89/04/769348904.db2.gz JKWZVYJDCNKNFA-UHFFFAOYSA-N 1 0 275.255 1.209 20 5 CDBDRO COCCC1(C)C[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000809218011 769445073 /nfs/dbraw/zinc/44/50/73/769445073.db2.gz NIQQJKOONAQWOX-AWEZNQCLSA-N 1 0 294.351 1.987 20 5 CDBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000856796746 769569775 /nfs/dbraw/zinc/56/97/75/769569775.db2.gz ZDIASTVDWADNEZ-ZLDLUXBVSA-N 1 0 294.351 1.579 20 5 CDBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000840190895 769728674 /nfs/dbraw/zinc/72/86/74/769728674.db2.gz YPNPCYZFSBEBGM-LLVKDONJSA-N 1 0 250.302 1.871 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CCO)C1CC1 ZINC000797520088 769815375 /nfs/dbraw/zinc/81/53/75/769815375.db2.gz IMTJCRVUADGCNQ-CYBMUJFWSA-N 1 0 280.324 1.854 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCC[C@H]2CO)c1 ZINC000843118787 769820959 /nfs/dbraw/zinc/82/09/59/769820959.db2.gz OMZPBMQEXLCXCR-UBHSHLNASA-N 1 0 280.324 1.379 20 5 CDBDRO Cc1nn(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000840152482 769821690 /nfs/dbraw/zinc/82/16/90/769821690.db2.gz NFYBIAHNKQLYOJ-CYBMUJFWSA-N 1 0 295.387 1.780 20 5 CDBDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886171274 769862463 /nfs/dbraw/zinc/86/24/63/769862463.db2.gz CJRAYNDBSQTJEJ-ONGXEEELSA-N 1 0 251.286 1.504 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCOC1 ZINC000866311907 769863453 /nfs/dbraw/zinc/86/34/53/769863453.db2.gz WWEGEZLPYNHABY-IINYFYTJSA-N 1 0 298.314 1.406 20 5 CDBDRO CC(=O)c1c(NCCN2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000882662133 770004197 /nfs/dbraw/zinc/00/41/97/770004197.db2.gz BBPSCYJOOIDIBD-LLVKDONJSA-N 1 0 293.323 1.276 20 5 CDBDRO CC[C@@H](O)CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000135046988 770325240 /nfs/dbraw/zinc/32/52/40/770325240.db2.gz OIAWSSZNVJFCNP-CHWSQXEVSA-N 1 0 268.313 1.379 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000320717492 770895922 /nfs/dbraw/zinc/89/59/22/770895922.db2.gz QTSZWKCQHIPNSG-HTQZYQBOSA-N 1 0 269.276 1.590 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CNC(=O)C1 ZINC000866373702 770942558 /nfs/dbraw/zinc/94/25/58/770942558.db2.gz QGFVJKZMKHQZEX-NXEZZACHSA-N 1 0 295.314 1.391 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000818582428 771035661 /nfs/dbraw/zinc/03/56/61/771035661.db2.gz QEIYSAXPAPJBNN-SNVBAGLBSA-N 1 0 294.355 1.389 20 5 CDBDRO C[N@@H+]1CC[C@@](O)(CNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000702593997 771237395 /nfs/dbraw/zinc/23/73/95/771237395.db2.gz RYIQWTZPWKTVQU-CYBMUJFWSA-N 1 0 299.758 1.404 20 5 CDBDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000877640598 771248779 /nfs/dbraw/zinc/24/87/79/771248779.db2.gz APICYKGEPVFKEZ-HAQNSBGRSA-N 1 0 278.308 1.944 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000885956196 771304357 /nfs/dbraw/zinc/30/43/57/771304357.db2.gz LMNVVOYCASBKGL-UHFFFAOYSA-N 1 0 279.296 1.329 20 5 CDBDRO COCC[C@@H](C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819367622 771360452 /nfs/dbraw/zinc/36/04/52/771360452.db2.gz ARVMJHFSVGMSEI-RISCZKNCSA-N 1 0 282.340 1.890 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]([NH3+])CC1CC1)CC2 ZINC000884331472 771486753 /nfs/dbraw/zinc/48/67/53/771486753.db2.gz OMDIZSQWRFHWBN-LBPRGKRZSA-N 1 0 289.335 1.920 20 5 CDBDRO CC1CC[NH+](C[C@H]2CCCN(CC[N+](=O)[O-])C2)CC1 ZINC000929423068 771690593 /nfs/dbraw/zinc/69/05/93/771690593.db2.gz ZKOPUSXCCJULIL-AWEZNQCLSA-N 1 0 269.389 1.707 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H]3CSC[C@@H]3C2)n1 ZINC000886559976 771807871 /nfs/dbraw/zinc/80/78/71/771807871.db2.gz KDQCPWJLEGGKGC-AOOOYVTPSA-N 1 0 268.342 1.086 20 5 CDBDRO C[C@H]1CC[C@@H]1[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877831486 771835275 /nfs/dbraw/zinc/83/52/75/771835275.db2.gz UYPJJRWPAWSQKV-OLRMPSLUSA-N 1 0 280.324 1.377 20 5 CDBDRO C[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581085 771855138 /nfs/dbraw/zinc/85/51/38/771855138.db2.gz DYQMFUYMZAKVGN-GWCFXTLKSA-N 1 0 250.298 1.970 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)C[NH3+] ZINC000876808389 771869479 /nfs/dbraw/zinc/86/94/79/771869479.db2.gz QMKJJKPACBUMLN-MRVPVSSYSA-N 1 0 251.286 1.289 20 5 CDBDRO C[NH+](C)CC[C@H](N)c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000844920278 772060012 /nfs/dbraw/zinc/06/00/12/772060012.db2.gz QTUFDDUCXXEIDW-ZETCQYMHSA-N 1 0 281.272 1.189 20 5 CDBDRO CO[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000831533494 772071089 /nfs/dbraw/zinc/07/10/89/772071089.db2.gz IGRASKYJXWYSIA-KCPJHIHWSA-N 1 0 294.351 1.985 20 5 CDBDRO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[NH2+]1 ZINC000843467856 772071525 /nfs/dbraw/zinc/07/15/25/772071525.db2.gz JNABEFQGEOKPKV-CYBMUJFWSA-N 1 0 292.339 1.247 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111303063 772166635 /nfs/dbraw/zinc/16/66/35/772166635.db2.gz XDCRGTULBBFXDI-LURJTMIESA-N 1 0 257.677 1.325 20 5 CDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[NH+](C)C ZINC000843884776 772221416 /nfs/dbraw/zinc/22/14/16/772221416.db2.gz BUESAGXWXJJBNE-QMMMGPOBSA-N 1 0 283.303 1.722 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCCCO2)cc1 ZINC000105908943 772373929 /nfs/dbraw/zinc/37/39/29/772373929.db2.gz XVOQBADYVQEFKN-KGLIPLIRSA-N 1 0 280.324 1.787 20 5 CDBDRO [NH3+]CCCCCCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000843506346 772450797 /nfs/dbraw/zinc/45/07/97/772450797.db2.gz SOGNYOPZCXEGCL-UHFFFAOYSA-N 1 0 295.339 1.609 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1(CO)CC1 ZINC000850516435 772529245 /nfs/dbraw/zinc/52/92/45/772529245.db2.gz VOPWJZNLIVPCIX-VHSXEESVSA-N 1 0 279.340 1.989 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000884009255 772540084 /nfs/dbraw/zinc/54/00/84/772540084.db2.gz QRWJMBXBQKIEJY-LLVKDONJSA-N 1 0 277.324 1.646 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CCCNC(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000877558110 772576983 /nfs/dbraw/zinc/57/69/83/772576983.db2.gz WZZGQCOJHQNVTJ-CMPLNLGQSA-N 1 0 277.324 1.914 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)CCOCC[NH3+] ZINC000877054346 772693745 /nfs/dbraw/zinc/69/37/45/772693745.db2.gz HJAUBWVNOLVTNS-UHFFFAOYSA-N 1 0 295.339 1.259 20 5 CDBDRO C[C@H]1CC[C@](CO)([N@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886147002 772699796 /nfs/dbraw/zinc/69/97/96/772699796.db2.gz HLENJUXFHFEODW-FZMZJTMJSA-N 1 0 279.340 1.973 20 5 CDBDRO C[C@H]1CC[NH2+][C@@H](c2nc(-c3c([N+](=O)[O-])ncn3C)no2)C1 ZINC000823089545 772740096 /nfs/dbraw/zinc/74/00/96/772740096.db2.gz VRBBVUJTAMCCTO-JGVFFNPUSA-N 1 0 292.299 1.439 20 5 CDBDRO CN(CCC[NH+](C)C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000828519597 772834564 /nfs/dbraw/zinc/83/45/64/772834564.db2.gz VHYNFMLPYLHZDQ-CYBMUJFWSA-N 1 0 295.339 1.038 20 5 CDBDRO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)[NH+](C)C ZINC000129603707 772854281 /nfs/dbraw/zinc/85/42/81/772854281.db2.gz XUEXHKRPTLMNFG-MRVPVSSYSA-N 1 0 285.731 1.928 20 5 CDBDRO CC[C@]1([NH2+]Cc2cccnc2[N+](=O)[O-])CCOC1 ZINC000886168451 772870505 /nfs/dbraw/zinc/87/05/05/772870505.db2.gz RAGGGIFIIIPARX-LBPRGKRZSA-N 1 0 251.286 1.649 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841232965 772890421 /nfs/dbraw/zinc/89/04/21/772890421.db2.gz IBPPSZBOVLXSBH-ZETCQYMHSA-N 1 0 286.719 1.965 20 5 CDBDRO C[C@@]1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000158663253 772899678 /nfs/dbraw/zinc/89/96/78/772899678.db2.gz QLMNMESFXQVUIG-KBPBESRZSA-N 1 0 280.324 1.787 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000886837910 772915766 /nfs/dbraw/zinc/91/57/66/772915766.db2.gz OUBLBFLRIWQBII-CQSZACIVSA-N 1 0 276.340 1.565 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCS(C)(=O)=O ZINC000873029160 772954445 /nfs/dbraw/zinc/95/44/45/772954445.db2.gz WUHRSRFVQNTIAR-UHFFFAOYSA-N 1 0 286.353 1.346 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000884457391 772955848 /nfs/dbraw/zinc/95/58/48/772955848.db2.gz AQRIUMPIJVESJW-TXEJJXNPSA-N 1 0 289.335 1.788 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1C[C@H](CO)C1 ZINC000923007663 772982294 /nfs/dbraw/zinc/98/22/94/772982294.db2.gz MDLVWBVZMKDSTD-KWSYRDCBSA-N 1 0 262.309 1.969 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)CC[NH+](C)C ZINC000820528709 773026456 /nfs/dbraw/zinc/02/64/56/773026456.db2.gz WLLLJFOKRCSCMD-UHFFFAOYSA-N 1 0 279.340 1.845 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCO ZINC000872018787 773052394 /nfs/dbraw/zinc/05/23/94/773052394.db2.gz PKFJHPMAIWVHNJ-QMMMGPOBSA-N 1 0 256.327 1.960 20 5 CDBDRO Cc1c(C[NH2+]C[C@H](O)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000873055421 773115458 /nfs/dbraw/zinc/11/54/58/773115458.db2.gz HTVVAAHXTQPRCM-HNNXBMFYSA-N 1 0 294.351 1.780 20 5 CDBDRO C[S@@](=O)C1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819285732 773127020 /nfs/dbraw/zinc/12/70/20/773127020.db2.gz BRHHOQOHBWLMFA-MPBGBICISA-N 1 0 298.364 1.129 20 5 CDBDRO C[C@H]([NH2+][C@H](CO)CC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815598462 773137258 /nfs/dbraw/zinc/13/72/58/773137258.db2.gz VYAHRASCUXVPQZ-CABZTGNLSA-N 1 0 279.340 1.989 20 5 CDBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000223282973 773313445 /nfs/dbraw/zinc/31/34/45/773313445.db2.gz CKQFIMHEMHRPBS-ZKYQVNSYSA-N 1 0 280.324 1.643 20 5 CDBDRO CC[N@@H+]1CCN(c2cc(N)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000800861552 773716551 /nfs/dbraw/zinc/71/65/51/773716551.db2.gz SVPICLRSNHSJPT-JTQLQIEISA-N 1 0 264.329 1.707 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2C[C@@H](O)C2)c1F ZINC001173178773 912280011 /nfs/dbraw/zinc/28/00/11/912280011.db2.gz MAFWDIZMNIEPGH-LPEHRKFASA-N 1 0 298.314 1.786 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(-n2ccnc2[C@@H]2CCC[NH2+]C2)n1 ZINC001167056883 894074211 /nfs/dbraw/zinc/07/42/11/894074211.db2.gz QNKFNCMTPQYMHI-SNVBAGLBSA-N 1 0 288.311 1.346 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2nc(OC)ccc2[N+](=O)[O-])C1 ZINC001234875132 913862851 /nfs/dbraw/zinc/86/28/51/913862851.db2.gz BZMCERNCFJFFKF-VIFPVBQESA-N 1 0 267.285 1.471 20 5 CDBDRO [NH3+]CCc1nnn(-c2cc3ccccc3c([N+](=O)[O-])c2)n1 ZINC001167792314 900803422 /nfs/dbraw/zinc/80/34/22/900803422.db2.gz ARGIJQIPPFOYGX-UHFFFAOYSA-N 1 0 284.279 1.225 20 5 CDBDRO COc1nc(C)c(NC(=N)SCC[NH3+])cc1[N+](=O)[O-] ZINC001167913934 901023762 /nfs/dbraw/zinc/02/37/62/901023762.db2.gz GYFYGDDGHVBCII-UHFFFAOYSA-N 1 0 285.329 1.345 20 5 CDBDRO Nc1nc(N[C@@]23CCC[C@@H]2[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000711693904 904019699 /nfs/dbraw/zinc/01/96/99/904019699.db2.gz VVCMDPZMGRXWHT-JOYOIKCWSA-N 1 0 263.301 1.269 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCOC2CCC2)cc1 ZINC000690984793 909199363 /nfs/dbraw/zinc/19/93/63/909199363.db2.gz JQNCGUXEYITGHD-CQSZACIVSA-N 1 0 280.324 1.787 20 5 CDBDRO CCOC(=O)[C@H](OCCC[N+](C)(C)C)C(F)(F)F ZINC001224620675 909973459 /nfs/dbraw/zinc/97/34/59/909973459.db2.gz ADVXDAZJLXUHIQ-VIFPVBQESA-N 1 0 272.287 1.593 20 5 CDBDRO CC1([NH3+])CN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172906702 912038471 /nfs/dbraw/zinc/03/84/71/912038471.db2.gz OJTIGDNGJWNHJJ-ZDUSSCGKSA-N 1 0 275.352 1.875 20 5 CDBDRO Cc1ccnc(N2C[C@H](C[NH3+])CC[C@@H]2C)c1[N+](=O)[O-] ZINC000070496734 916224963 /nfs/dbraw/zinc/22/49/63/916224963.db2.gz YQWIRCXDZYXBFD-QWRGUYRKSA-N 1 0 264.329 1.862 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001162384682 922439272 /nfs/dbraw/zinc/43/92/72/922439272.db2.gz IJFDDQLGZHNOCM-RKDXNWHRSA-N 1 0 266.301 1.680 20 5 CDBDRO COc1cnc(N[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC001163771650 924169070 /nfs/dbraw/zinc/16/90/70/924169070.db2.gz DVTBXUMKELZYHL-MRVPVSSYSA-N 1 0 254.290 1.360 20 5 CDBDRO CCOc1cc([N+](=O)[O-])ccc1N1CC[C@H]([NH3+])C1 ZINC001164281879 924751829 /nfs/dbraw/zinc/75/18/29/924751829.db2.gz PPKLCXFCGGWEKJ-VIFPVBQESA-N 1 0 251.286 1.531 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1-n1cc2c(n1)CC[C@@H]([NH3+])C2 ZINC001168803155 927457825 /nfs/dbraw/zinc/45/78/25/927457825.db2.gz JAEYSACNGHMCNY-SECBINFHSA-N 1 0 289.295 1.000 20 5 CDBDRO [NH3+][C@H]1CCc2nn(-c3c(Cl)nccc3[N+](=O)[O-])cc2C1 ZINC001168811359 927465206 /nfs/dbraw/zinc/46/52/06/927465206.db2.gz KCMJPFWYUWPOGY-QMMMGPOBSA-N 1 0 293.714 1.645 20 5 CDBDRO [NH3+][C@@H]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001156229085 927499042 /nfs/dbraw/zinc/49/90/42/927499042.db2.gz SZUWZPZEWGAIHT-SECBINFHSA-N 1 0 258.281 1.680 20 5 CDBDRO Cc1ncc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001168976056 927561556 /nfs/dbraw/zinc/56/15/56/927561556.db2.gz YXEGRFUGLAJPCW-CMPLNLGQSA-N 1 0 250.302 1.320 20 5 CDBDRO COC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168976331 927562803 /nfs/dbraw/zinc/56/28/03/927562803.db2.gz CUBVCLZXQSELHT-VWYCJHECSA-N 1 0 256.302 1.069 20 5 CDBDRO COc1cc(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)ccn1 ZINC001168976273 927563555 /nfs/dbraw/zinc/56/35/55/927563555.db2.gz CFVVVSPNAOVZFF-OLZOCXBDSA-N 1 0 279.340 1.668 20 5 CDBDRO COc1ccc(C(=O)C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168955825 927577058 /nfs/dbraw/zinc/57/70/58/927577058.db2.gz CORJMOIMJZEZKI-DGCLKSJQSA-N 1 0 292.335 1.913 20 5 CDBDRO Cc1cnc(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)nc1 ZINC001168962415 927585183 /nfs/dbraw/zinc/58/51/83/927585183.db2.gz MMRSHZQWOVJJBG-RYUDHWBXSA-N 1 0 264.329 1.363 20 5 CDBDRO COc1cccc(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168965083 927587953 /nfs/dbraw/zinc/58/79/53/927587953.db2.gz XVJPOECFSSWULT-DGCLKSJQSA-N 1 0 279.340 1.668 20 5 CDBDRO Cc1nn(C)cc1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968098 927591022 /nfs/dbraw/zinc/59/10/22/927591022.db2.gz VPPYIBBONVAZNE-JQWIXIFHSA-N 1 0 252.318 1.264 20 5 CDBDRO NC(=O)[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168975868 927599158 /nfs/dbraw/zinc/59/91/58/927599158.db2.gz XRQLTUABVVNCGH-UHTWSYAYSA-N 1 0 277.324 1.248 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)nc1OC ZINC001168994633 927600790 /nfs/dbraw/zinc/60/07/90/927600790.db2.gz QQBRBELIYXVDBG-QWRGUYRKSA-N 1 0 295.339 1.634 20 5 CDBDRO Cc1nnc2ccc(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)cn12 ZINC001168997940 927603330 /nfs/dbraw/zinc/60/33/30/927603330.db2.gz GRQWAOSWESLPBW-DGCLKSJQSA-N 1 0 289.339 1.573 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H](CO)c2ccccc2)C1 ZINC001169001224 927606317 /nfs/dbraw/zinc/60/63/17/927606317.db2.gz DRVFTEKEHKWACC-SNPRPXQTSA-N 1 0 278.352 1.798 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCc3cnccc3C2)C1 ZINC001169008683 927614964 /nfs/dbraw/zinc/61/49/64/927614964.db2.gz TVYNVJXTWSAHLL-FZMZJTMJSA-N 1 0 261.325 1.885 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)ccn2)C1 ZINC001168987952 927625097 /nfs/dbraw/zinc/62/50/97/927625097.db2.gz LQDGYULGBIMMNL-MWLCHTKSSA-N 1 0 253.277 1.756 20 5 CDBDRO O=C1CCCC2(CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)N1 ZINC001169024126 927663871 /nfs/dbraw/zinc/66/38/71/927663871.db2.gz PZPHBOBULDFOAO-OLZOCXBDSA-N 1 0 295.383 1.567 20 5 CDBDRO CC[N@H+](CCC(=O)OC)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169047039 927665726 /nfs/dbraw/zinc/66/57/26/927665726.db2.gz QEPUSMLXMARTKI-QWRGUYRKSA-N 1 0 258.318 1.317 20 5 CDBDRO CN1CC2(CC1=O)CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169049029 927667335 /nfs/dbraw/zinc/66/73/35/927667335.db2.gz VSTVPHFPRRVGRN-CHWSQXEVSA-N 1 0 295.383 1.376 20 5 CDBDRO CN(C)C(=O)NC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169050398 927669001 /nfs/dbraw/zinc/66/90/01/927669001.db2.gz ZGTWKKKTBPFELR-YPMHNXCESA-N 1 0 298.387 1.167 20 5 CDBDRO CCNC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169051285 927669848 /nfs/dbraw/zinc/66/98/48/927669848.db2.gz CRWKRDRHJJTBMR-SRVKXCTJSA-N 1 0 269.345 1.032 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(-n2ccc([C@H](C)[NH3+])n2)n1 ZINC001169227187 927825333 /nfs/dbraw/zinc/82/53/33/927825333.db2.gz AHNQJHKCKFKOQA-ZETCQYMHSA-N 1 0 263.257 1.204 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2ccc([C@@H](C)[NH3+])n2)c1 ZINC001169235667 927864552 /nfs/dbraw/zinc/86/45/52/927864552.db2.gz YZQKFEAZVHMOER-MRVPVSSYSA-N 1 0 290.279 1.587 20 5 CDBDRO C[NH+](C)CCC(C)(C)Nc1nccnc1[N+](=O)[O-] ZINC001169711660 928365567 /nfs/dbraw/zinc/36/55/67/928365567.db2.gz OPSDZANUFQUPDB-UHFFFAOYSA-N 1 0 253.306 1.527 20 5 CDBDRO C[N@@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC001156590574 928793743 /nfs/dbraw/zinc/79/37/43/928793743.db2.gz NASQKIGPOQZKKA-LBPRGKRZSA-N 1 0 295.314 1.804 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H]2C[NH2+]C[C@H]2CO)c2ccccc21 ZINC001170784790 930008017 /nfs/dbraw/zinc/00/80/17/930008017.db2.gz VDQNGLMYINGDCJ-IINYFYTJSA-N 1 0 287.319 1.740 20 5 CDBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ncc([N+](=O)[O-])c(C)n1 ZINC001117795425 937553878 /nfs/dbraw/zinc/55/38/78/937553878.db2.gz UNAYYJSXXPEHFP-NSHDSACASA-N 1 0 279.344 1.980 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCOC[C@@H]1C[NH+](C)C ZINC001154962940 937613016 /nfs/dbraw/zinc/61/30/16/937613016.db2.gz WXZIWKXRRDLVPH-LBPRGKRZSA-N 1 0 280.328 1.065 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2ncnc(NC[C@@H]3CCCC[NH2+]3)c12 ZINC001171328354 932681967 /nfs/dbraw/zinc/68/19/67/932681967.db2.gz NFVFNSSNPVNCHM-QMMMGPOBSA-N 1 0 276.300 1.372 20 5 CDBDRO Cc1c[n+]([O-])c(NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC001171328646 932689514 /nfs/dbraw/zinc/68/95/14/932689514.db2.gz PSWUYWUCRZWZKZ-SNVBAGLBSA-N 1 0 266.301 1.091 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1cc([N+](=O)[O-])cc(Cl)n1 ZINC001155187500 937645928 /nfs/dbraw/zinc/64/59/28/937645928.db2.gz HNNXBRBNWRBDBJ-HTRCEHHLSA-N 1 0 256.693 1.806 20 5 CDBDRO O=[N+]([O-])c1ccnc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)c1 ZINC001155824077 937677307 /nfs/dbraw/zinc/67/73/07/937677307.db2.gz IRMCAPLRPLFENQ-GXTWGEPZSA-N 1 0 292.339 1.703 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N3CC[NH2+]CC3)c2c1 ZINC001119012616 937688336 /nfs/dbraw/zinc/68/83/36/937688336.db2.gz XJOFOAQKCWQHST-UHFFFAOYSA-N 1 0 293.714 1.601 20 5 CDBDRO C[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC001120488455 937802684 /nfs/dbraw/zinc/80/26/84/937802684.db2.gz BLHNWOZNLFEMOY-FZMZJTMJSA-N 1 0 281.356 1.416 20 5 CDBDRO CC(C)=CC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001122984095 936098603 /nfs/dbraw/zinc/09/86/03/936098603.db2.gz IFOCTAPTQCJLLZ-UHFFFAOYSA-N 1 0 283.353 1.828 20 5 CDBDRO CN(CCC[NH+]1CCCC1)c1cc(N)c([N+](=O)[O-])cn1 ZINC001120928497 937848020 /nfs/dbraw/zinc/84/80/20/937848020.db2.gz KZUNMOFVNBZEEY-UHFFFAOYSA-N 1 0 279.344 1.494 20 5 CDBDRO CSCC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001122106547 937905613 /nfs/dbraw/zinc/90/56/13/937905613.db2.gz PXUPUPUJTWHDER-BXKDBHETSA-N 1 0 297.380 1.852 20 5 CDBDRO C[C@@H](NC(=O)[C@@H](C)C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001122252130 937915701 /nfs/dbraw/zinc/91/57/01/937915701.db2.gz KYFWTMWVBUMUJF-DTWKUNHWSA-N 1 0 251.286 1.367 20 5 CDBDRO [NH3+][C@H]1C[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001122577967 937942917 /nfs/dbraw/zinc/94/29/17/937942917.db2.gz BBSSWVPWZDCVIN-ZKCHVHJHSA-N 1 0 269.688 1.468 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N(CCC[NH3+])C(C)C)n1 ZINC001156118653 938320956 /nfs/dbraw/zinc/32/09/56/938320956.db2.gz QIMJLYGDQVJEML-UHFFFAOYSA-N 1 0 287.751 1.910 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1-n1ccc2cc(C[NH3+])cnc21 ZINC001156600070 938391540 /nfs/dbraw/zinc/39/15/40/938391540.db2.gz IZESSJUDAWQQGQ-UHFFFAOYSA-N 1 0 284.279 1.370 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1ncc(Cl)cc1[N+](=O)[O-] ZINC001156850264 938425824 /nfs/dbraw/zinc/42/58/24/938425824.db2.gz UVVZMCLKBVJRTH-UHFFFAOYSA-N 1 0 279.687 1.372 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2ccc(C[NH3+])cc2=N)n1 ZINC001156850086 938425879 /nfs/dbraw/zinc/42/58/79/938425879.db2.gz QDYYCVVALIJEMX-UHFFFAOYSA-N 1 0 293.714 1.680 20 5 CDBDRO C[C@@H]1[C@@H]([NH3+])CCCN1c1c([N+](=O)[O-])cc[n+]([O-])c1Cl ZINC001157741630 938538661 /nfs/dbraw/zinc/53/86/61/938538661.db2.gz MCUXKJBVKSFYRO-SFYZADRCSA-N 1 0 286.719 1.198 20 5 CDBDRO C[NH2+]CCN(c1c(C)c([N+](=O)[O-])cc[n+]1[O-])C(C)(C)C ZINC001157830488 938553263 /nfs/dbraw/zinc/55/32/63/938553263.db2.gz YUXVAVTYLBZLNI-UHFFFAOYSA-N 1 0 282.344 1.361 20 5 CDBDRO CC(C)N(c1ncc(F)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC001158022425 938575729 /nfs/dbraw/zinc/57/57/29/938575729.db2.gz NTTRGKGASDVHSR-SNVBAGLBSA-N 1 0 268.292 1.706 20 5 CDBDRO [NH3+]Cc1ccn(-c2cc([N+](=O)[O-])cc(Cl)n2)c1 ZINC001158760069 938660373 /nfs/dbraw/zinc/66/03/73/938660373.db2.gz HBEGKPIUUNJCKI-UHFFFAOYSA-N 1 0 252.661 1.893 20 5 CDBDRO [NH3+]Cc1ccc2cn(-c3ncc(F)cc3[N+](=O)[O-])nc2c1 ZINC001160140416 938770658 /nfs/dbraw/zinc/77/06/58/938770658.db2.gz BJGKZGWDJAIPQX-UHFFFAOYSA-N 1 0 287.254 1.927 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NC[C@H]2CCCC[NH2+]2)n1 ZINC001160145521 938771418 /nfs/dbraw/zinc/77/14/18/938771418.db2.gz RVRAMUBGGFRCSY-MRVPVSSYSA-N 1 0 285.735 1.901 20 5 CDBDRO CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC001160154065 938772258 /nfs/dbraw/zinc/77/22/58/938772258.db2.gz VSSAXLCZASDVLS-VIFPVBQESA-N 1 0 283.353 1.823 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001162572694 939090375 /nfs/dbraw/zinc/09/03/75/939090375.db2.gz JZXJPLILLSIJLX-CYBMUJFWSA-N 1 0 298.318 1.892 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])cc1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001162582971 939094090 /nfs/dbraw/zinc/09/40/90/939094090.db2.gz JBFHUASGFCVSNB-GFCCVEGCSA-N 1 0 284.291 1.122 20 5 CDBDRO O=[N+]([O-])c1cnc2cccc(N[C@@]34CCC[C@@H]3[NH2+]CC4)n21 ZINC001162987472 939170089 /nfs/dbraw/zinc/17/00/89/939170089.db2.gz GMEGZLKPLZVXKU-IINYFYTJSA-N 1 0 287.323 1.939 20 5 CDBDRO O=[N+]([O-])c1c(F)cc(F)cc1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001163104651 939201711 /nfs/dbraw/zinc/20/17/11/939201711.db2.gz AURKAGWZEYVIIC-JWKOBGCHSA-N 1 0 299.277 1.519 20 5 CDBDRO O=[N+]([O-])c1c(F)cc(F)cc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163202822 939224764 /nfs/dbraw/zinc/22/47/64/939224764.db2.gz MTEJFBAHNORVNH-PRHODGIISA-N 1 0 285.250 1.416 20 5 CDBDRO COc1c(F)cc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)cc1[N+](=O)[O-] ZINC001163343333 939252132 /nfs/dbraw/zinc/25/21/32/939252132.db2.gz VTIAUIQEBORRGO-NRUUGDAUSA-N 1 0 297.286 1.284 20 5 CDBDRO Cc1nnc(C[NH3+])n1-c1nccc2cc([N+](=O)[O-])ccc21 ZINC001163354056 939256189 /nfs/dbraw/zinc/25/61/89/939256189.db2.gz WAWCGAXFJKWVEQ-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO CN(CC[NH+](C)C)c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001163589551 939290455 /nfs/dbraw/zinc/29/04/55/939290455.db2.gz AYZDFDNDXYKQRL-UHFFFAOYSA-N 1 0 275.312 1.536 20 5 CDBDRO CCOc1nc(N(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001163598078 939291657 /nfs/dbraw/zinc/29/16/57/939291657.db2.gz OYJYZIWSMLSVGW-UHFFFAOYSA-N 1 0 282.344 1.776 20 5 CDBDRO CC(C)(C)c1cnc(N(CC[NH3+])CCO)c([N+](=O)[O-])c1 ZINC001163827781 939338920 /nfs/dbraw/zinc/33/89/20/939338920.db2.gz NUQHIZAGAQSZJX-UHFFFAOYSA-N 1 0 282.344 1.045 20 5 CDBDRO CCOc1cc(-n2nc(C[NH3+])cc2C)ccc1[N+](=O)[O-] ZINC001163985864 939372489 /nfs/dbraw/zinc/37/24/89/939372489.db2.gz HMRZUJDJYMMGCN-UHFFFAOYSA-N 1 0 276.296 1.946 20 5 CDBDRO C[C@@H]1CC[C@@H](C[NH3+])N(c2ncc([N+](=O)[O-])cc2F)C1 ZINC001164069417 939404313 /nfs/dbraw/zinc/40/43/13/939404313.db2.gz KGPIATSUCBLXQC-BDAKNGLRSA-N 1 0 268.292 1.693 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2C[C@@H](C)CC[C@@H]2C[NH3+])n1 ZINC001164067485 939404415 /nfs/dbraw/zinc/40/44/15/939404415.db2.gz CPFHYEGAYRXMGP-WCBMZHEXSA-N 1 0 265.317 1.257 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2CCC[C@@](C)(C[NH3+])CC2)n1 ZINC001164248924 939441554 /nfs/dbraw/zinc/44/15/54/939441554.db2.gz YSCBMPZKOJWVOC-CYBMUJFWSA-N 1 0 279.344 1.649 20 5 CDBDRO C[NH+](C)C[C@@H]1CCCN1c1cccc([N+](=O)[O-])n1 ZINC001165070932 939506329 /nfs/dbraw/zinc/50/63/29/939506329.db2.gz AMFIPQCQGHNKMZ-JTQLQIEISA-N 1 0 250.302 1.520 20 5 CDBDRO C[NH+](C)C1(C)CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)C1 ZINC001165119657 939513215 /nfs/dbraw/zinc/51/32/15/939513215.db2.gz FFVUEIDLAFSVNC-UHFFFAOYSA-N 1 0 275.312 1.611 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N(C)CC[NH+]2CCCC2)n1 ZINC001165140299 939516452 /nfs/dbraw/zinc/51/64/52/939516452.db2.gz SCTNYBKKMREYBO-UHFFFAOYSA-N 1 0 299.762 1.879 20 5 CDBDRO COc1cnc(N2CCC3(CC([NH3+])C3)CC2)c([N+](=O)[O-])c1 ZINC001165243709 939532046 /nfs/dbraw/zinc/53/20/46/939532046.db2.gz OVVTVTUFUBDXDQ-UHFFFAOYSA-N 1 0 292.339 1.706 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3C[C@@]3([NH3+])C2)n1 ZINC001165328884 939546218 /nfs/dbraw/zinc/54/62/18/939546218.db2.gz XUHFMFQQXASUKQ-WRWORJQWSA-N 1 0 283.719 1.274 20 5 CDBDRO CN(C)/C=C/c1cc(N2CCC([NH3+])CC2)ncc1[N+](=O)[O-] ZINC001166664749 939624375 /nfs/dbraw/zinc/62/43/75/939624375.db2.gz YFBQMAQMMRYNGP-ZZXKWVIFSA-N 1 0 291.355 1.450 20 5 CDBDRO [NH3+][C@@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)C[C@@H]1F ZINC001166928555 939651034 /nfs/dbraw/zinc/65/10/34/939651034.db2.gz DFMONFYKZWENBB-DTWKUNHWSA-N 1 0 277.259 1.023 20 5 CDBDRO [NH3+][C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@@H]1F ZINC001166930350 939651515 /nfs/dbraw/zinc/65/15/15/939651515.db2.gz UIKLOZGRIRLMML-NWDGAFQWSA-N 1 0 276.271 1.628 20 5 CDBDRO COc1cnc(N2CC[C@@H]([NH3+])C(F)(F)C2)c([N+](=O)[O-])c1 ZINC001166962848 939662609 /nfs/dbraw/zinc/66/26/09/939662609.db2.gz YRUDNBJSZHKAHP-SECBINFHSA-N 1 0 288.254 1.171 20 5 CDBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1O[C@H]1CC[NH2+]C1 ZINC001218181481 941043054 /nfs/dbraw/zinc/04/30/54/941043054.db2.gz FDMKWYIVXZJHDG-ZETCQYMHSA-N 1 0 253.214 1.244 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(O[C@H]3CCC[NH2+]C3)c21 ZINC001218285586 941052025 /nfs/dbraw/zinc/05/20/25/941052025.db2.gz LSUNBTNDLUGKHO-VIFPVBQESA-N 1 0 274.280 1.669 20 5 CDBDRO C[C@@H]1[C@H](OCC[N+](C)(C)C)CN1C(=O)OC(C)(C)C ZINC001224775705 941790327 /nfs/dbraw/zinc/79/03/27/941790327.db2.gz MZBODJQIXAFDKD-VXGBXAGGSA-N 1 0 273.397 1.717 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccccc1Cl ZINC001225203945 941830404 /nfs/dbraw/zinc/83/04/04/941830404.db2.gz BSELYGDTLLJBIC-SNVBAGLBSA-N 1 0 272.752 1.703 20 5 CDBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)ncc1[N+](=O)[O-] ZINC001225661494 941895831 /nfs/dbraw/zinc/89/58/31/941895831.db2.gz LCIYOPGSKYKOHV-JTQLQIEISA-N 1 0 254.310 1.772 20 5 CDBDRO Cc1ccc(C)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1C ZINC001225802934 941914246 /nfs/dbraw/zinc/91/42/46/941914246.db2.gz FJSVJTIIWCBBHI-CQSZACIVSA-N 1 0 280.388 1.974 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOc2c(O)cccc2[N+](=O)[O-])C1 ZINC001226340362 941990793 /nfs/dbraw/zinc/99/07/93/941990793.db2.gz OBAVUCJKOIIOQA-SNVBAGLBSA-N 1 0 282.296 1.400 20 5 CDBDRO Cc1ccc(O[C@H](C)C[N+](C)(C)C)c([N+](=O)[O-])n1 ZINC001227222578 942152520 /nfs/dbraw/zinc/15/25/20/942152520.db2.gz RMAPXIDFXUDCDV-SNVBAGLBSA-N 1 0 254.310 1.772 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C(N)=O)c(Cl)c1 ZINC001227955700 942247955 /nfs/dbraw/zinc/24/79/55/942247955.db2.gz WBSCJNAIZSAINS-SECBINFHSA-O 1 0 271.768 1.912 20 5 CDBDRO C[NH+](C)C1CCC(Oc2ncncc2[N+](=O)[O-])CC1 ZINC001228655670 942348889 /nfs/dbraw/zinc/34/88/89/942348889.db2.gz UFKBHGIDTZAIEH-UHFFFAOYSA-N 1 0 266.301 1.636 20 5 CDBDRO Cc1c(C)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc1F ZINC001233863944 943675768 /nfs/dbraw/zinc/67/57/68/943675768.db2.gz OAMIBBTWOOGCKM-GFCCVEGCSA-N 1 0 284.351 1.805 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CNC(=O)C1 ZINC001254536177 947516240 /nfs/dbraw/zinc/51/62/40/947516240.db2.gz APKQHFZLKACGMO-QWRGUYRKSA-N 1 0 277.324 1.252 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@H]1C[NH3+] ZINC001254538022 947516289 /nfs/dbraw/zinc/51/62/89/947516289.db2.gz MPKSKSHDUCVQGX-YPMHNXCESA-N 1 0 263.341 1.949 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COC[C@@H]1F ZINC001254548423 947522317 /nfs/dbraw/zinc/52/23/17/947522317.db2.gz IWQSUJVDZIVZHC-ZMLRMANQSA-N 1 0 268.288 1.852 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCN1CCCCO1)C2 ZINC001254566067 947527875 /nfs/dbraw/zinc/52/78/75/947527875.db2.gz HGWMBWPPKINPBB-CQSZACIVSA-N 1 0 291.351 1.679 20 5 CDBDRO Cc1cnc(CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)nc1 ZINC001254565200 947528136 /nfs/dbraw/zinc/52/81/36/947528136.db2.gz CGFXMBIOHZLRGW-AWEZNQCLSA-N 1 0 298.346 1.993 20 5 CDBDRO [NH3+][C@@H]1CCc2nn([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)cc2C1 ZINC001254576125 947534885 /nfs/dbraw/zinc/53/48/85/947534885.db2.gz UTMGJOWWYIGELK-HIFRSBDPSA-N 1 0 298.346 1.947 20 5 CDBDRO [NH3+]Cc1cnn([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254575105 947535103 /nfs/dbraw/zinc/53/51/03/947535103.db2.gz OEMCFNZBTCFRHO-CYBMUJFWSA-N 1 0 258.281 1.590 20 5 CDBDRO Cc1nc(=N)n([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1C[NH3+] ZINC001254590083 947542659 /nfs/dbraw/zinc/54/26/59/947542659.db2.gz USURCJITKHICTN-AWEZNQCLSA-N 1 0 299.334 1.378 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCCC[C@@H](O)C1)C2 ZINC001254595757 947545480 /nfs/dbraw/zinc/54/54/80/947545480.db2.gz ZKEXVTWRYYJOOB-LSDHHAIUSA-N 1 0 276.336 1.909 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@H](CO)C1)C2 ZINC001254597884 947547469 /nfs/dbraw/zinc/54/74/69/947547469.db2.gz IRNCDBHGFAWPHX-IAQYHMDHSA-N 1 0 276.336 1.766 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[NH+](C3CC3)CC1)C2 ZINC001254601030 947550854 /nfs/dbraw/zinc/55/08/54/947550854.db2.gz XJYAFHODSLWBIQ-MRXNPFEDSA-N 1 0 287.363 1.842 20 5 CDBDRO C[N@@H+]1C[C@@H]2C[C@H]1CN2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602783 947552482 /nfs/dbraw/zinc/55/24/82/947552482.db2.gz ITJIBCHPCNAARM-KKUMJFAQSA-N 1 0 273.336 1.450 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N[C@H]1CC[NH2+]C[C@@H]1F)C2 ZINC001246093659 947945292 /nfs/dbraw/zinc/94/52/92/947945292.db2.gz VINVEBSBAAIBTI-UBHSHLNASA-N 1 0 279.315 1.352 20 5 CDBDRO C[C@@H](C(=O)NCC[NH+]1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC001255847797 948113533 /nfs/dbraw/zinc/11/35/33/948113533.db2.gz XHQLVIPZSBSOIP-GFCCVEGCSA-N 1 0 289.335 1.686 20 5 CDBDRO N[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@@H]1F ZINC001246568764 948290034 /nfs/dbraw/zinc/29/00/34/948290034.db2.gz AYWFSTOODOXAEO-SOUVJXGZSA-N 1 0 293.342 1.823 20 5 CDBDRO C[C@@H]1CC[C@H](CN)[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246568273 948290498 /nfs/dbraw/zinc/29/04/98/948290498.db2.gz MSMKVHCPTGLJOA-YVECIDJPSA-N 1 0 255.362 1.491 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CCC[NH2+]2)n1 ZINC001247495642 948648372 /nfs/dbraw/zinc/64/83/72/948648372.db2.gz BGJTVHPVUSGUTD-SSDOTTSWSA-N 1 0 279.231 1.603 20 5 CDBDRO O=c1c2cc([N+](=O)[O-])sc2ncn1C[C@H]1CCC[NH2+]C1 ZINC001326052609 954198574 /nfs/dbraw/zinc/19/85/74/954198574.db2.gz VAOBBGFVIJKCBP-QMMMGPOBSA-N 1 0 294.336 1.366 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326810079 954564012 /nfs/dbraw/zinc/56/40/12/954564012.db2.gz JNZGMMNFQFKAID-NXEZZACHSA-N 1 0 292.339 1.746 20 5 CDBDRO Cc1nc(Nc2cnn(CC[NH+](C)C)c2)ncc1[N+](=O)[O-] ZINC001329631777 956037371 /nfs/dbraw/zinc/03/73/71/956037371.db2.gz XBADGOZFCOZRBW-UHFFFAOYSA-N 1 0 291.315 1.195 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001329924017 956180006 /nfs/dbraw/zinc/18/00/06/956180006.db2.gz NWCIUDMUXBQIIA-CYBMUJFWSA-N 1 0 277.324 1.478 20 5 CDBDRO [NH3+]Cc1nccnc1NCCNc1ccccc1[N+](=O)[O-] ZINC001306919458 956350613 /nfs/dbraw/zinc/35/06/13/956350613.db2.gz AGDWRUNUINYNRI-UHFFFAOYSA-N 1 0 288.311 1.368 20 5 CDBDRO CCCC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001323485305 960762006 /nfs/dbraw/zinc/76/20/06/960762006.db2.gz GUGKQIBFQRUACU-CQSZACIVSA-N 1 0 296.371 1.664 20 5 CDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])C12CC(C1)C[NH2+]2 ZINC001340098760 962741029 /nfs/dbraw/zinc/74/10/29/962741029.db2.gz JBFQYPJVIITWHU-UHFFFAOYSA-N 1 0 275.308 1.006 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001342265849 963691298 /nfs/dbraw/zinc/69/12/98/963691298.db2.gz SIBQTYFSAXRABQ-TVYUQYBPSA-N 1 0 277.324 1.422 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001342509455 963755949 /nfs/dbraw/zinc/75/59/49/963755949.db2.gz MDJMOLGLLPDKLG-BXKDBHETSA-N 1 0 295.314 1.391 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001345181964 964622354 /nfs/dbraw/zinc/62/23/54/964622354.db2.gz FFZVRMDFNYZWTP-UHFFFAOYSA-N 1 0 267.304 1.661 20 5 CDBDRO CC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])c(C)n2)[C@@H](C)C1 ZINC001350490456 966679046 /nfs/dbraw/zinc/67/90/46/966679046.db2.gz JJQYYYJFMSLZSJ-JTQLQIEISA-N 1 0 279.344 1.614 20 5 CDBDRO O=C(NC[C@H]1CCCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1F ZINC001355518735 969187214 /nfs/dbraw/zinc/18/72/14/969187214.db2.gz FLEULCFAAAXJKZ-SNVBAGLBSA-N 1 0 295.314 1.996 20 5 CDBDRO [NH3+][C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001515639814 969908420 /nfs/dbraw/zinc/90/84/20/969908420.db2.gz HUDPJVRJZYRNJW-KYZUINATSA-N 1 0 283.715 1.397 20 5 CDBDRO CCN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC001577637187 1171709533 /nfs/dbraw/zinc/70/95/33/1171709533.db2.gz YLCKQOULHZKUSP-LBPRGKRZSA-N 1 0 295.314 1.487 20 5 CDBDRO COc1ccc(C[N@@H+]2CCC[C@](C)(O)C2)cc1[N+](=O)[O-] ZINC000124379678 187134958 /nfs/dbraw/zinc/13/49/58/187134958.db2.gz HBLAPHNTARKRIQ-AWEZNQCLSA-N 1 0 280.324 1.950 20 5 CDBDRO COc1cc(C[NH2+][C@H]2C[C@@H](CO)C2)c([N+](=O)[O-])cc1OC ZINC000601140123 342479777 /nfs/dbraw/zinc/47/97/77/342479777.db2.gz RLHFPXBIKFSFLN-JGZJWPJOSA-N 1 0 296.323 1.473 20 5 CDBDRO CN(C(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000601232233 342537481 /nfs/dbraw/zinc/53/74/81/342537481.db2.gz ORSBGHSSUJMPHK-SNVBAGLBSA-N 1 0 295.314 1.900 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1COC[C@@H]1O ZINC000601291456 342549527 /nfs/dbraw/zinc/54/95/27/342549527.db2.gz JYQSTVXBXCGPHI-WQAKAFBOSA-N 1 0 266.297 1.314 20 5 CDBDRO COC(C)(C)C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000533479386 282125103 /nfs/dbraw/zinc/12/51/03/282125103.db2.gz ZGNHGIQQAPGQOK-UHFFFAOYSA-N 1 0 295.339 1.551 20 5 CDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ncc([N+](=O)[O-])cc1F ZINC000591147233 342618526 /nfs/dbraw/zinc/61/85/26/342618526.db2.gz YMGLWJCJJOWABL-SNVBAGLBSA-N 1 0 282.319 1.907 20 5 CDBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591438120 342631995 /nfs/dbraw/zinc/63/19/95/342631995.db2.gz LAOLDUBUZDTQKC-RISCZKNCSA-N 1 0 289.335 1.986 20 5 CDBDRO Cc1ccc(C[NH2+]CC2(CO)CC2)cc1[N+](=O)[O-] ZINC000118907134 342127907 /nfs/dbraw/zinc/12/79/07/342127907.db2.gz NNBCIVAILKYWHB-UHFFFAOYSA-N 1 0 250.298 1.765 20 5 CDBDRO COCCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047742824 342118724 /nfs/dbraw/zinc/11/87/24/342118724.db2.gz HPGVYWYCBODMKF-UHFFFAOYSA-N 1 0 279.340 1.753 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCC[NH2+]2)c1 ZINC000591430050 342630022 /nfs/dbraw/zinc/63/00/22/342630022.db2.gz UQQXHBBMTWYVRF-NSHDSACASA-N 1 0 293.323 1.935 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000310657531 342132896 /nfs/dbraw/zinc/13/28/96/342132896.db2.gz RFHDINOWALDUCU-UHFFFAOYSA-N 1 0 251.286 1.324 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3CC[NH2+][C@@H]3C2)s1 ZINC000591439390 342632146 /nfs/dbraw/zinc/63/21/46/342632146.db2.gz ULGVUOPOGQPJGJ-HTQZYQBOSA-N 1 0 254.315 1.240 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC3(CC[NH2+]C3)CC2)cn1 ZINC000591440683 342632271 /nfs/dbraw/zinc/63/22/71/342632271.db2.gz KLWDMHYMTQSXGN-UHFFFAOYSA-N 1 0 262.313 1.570 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000591933532 342657172 /nfs/dbraw/zinc/65/71/72/342657172.db2.gz IKBGLJYRGGZLQF-QWRGUYRKSA-N 1 0 292.339 1.121 20 5 CDBDRO COc1ccc(CNC(=O)[C@@H]2[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000591669240 342641243 /nfs/dbraw/zinc/64/12/43/342641243.db2.gz KOOCSQSTTSXVHT-LBPRGKRZSA-N 1 0 293.323 1.218 20 5 CDBDRO CN(CCC[NH3+])C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000591678990 342641676 /nfs/dbraw/zinc/64/16/76/342641676.db2.gz MKMOETINALOYDS-UHFFFAOYSA-N 1 0 285.731 1.598 20 5 CDBDRO CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000592246354 342680991 /nfs/dbraw/zinc/68/09/91/342680991.db2.gz JZFSIPJODLKCCR-CYBMUJFWSA-N 1 0 277.324 1.665 20 5 CDBDRO CCCc1n[nH]c(C(=O)N2CCC(C)([NH3+])CC2)c1[N+](=O)[O-] ZINC000592328438 342685307 /nfs/dbraw/zinc/68/53/07/342685307.db2.gz HHSXUSJWLKTTHX-UHFFFAOYSA-N 1 0 295.343 1.224 20 5 CDBDRO CNc1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000592331763 342685458 /nfs/dbraw/zinc/68/54/58/342685458.db2.gz ZRZZOUBOQSMWAA-QWRGUYRKSA-N 1 0 292.339 1.636 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000311275775 342148346 /nfs/dbraw/zinc/14/83/46/342148346.db2.gz GINXHKZIAGLFHI-SNVBAGLBSA-N 1 0 268.317 1.037 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000592428608 342695053 /nfs/dbraw/zinc/69/50/53/342695053.db2.gz GESOCOTXLDGCQE-NTMLRVMTSA-N 1 0 291.351 1.656 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000592568491 342707271 /nfs/dbraw/zinc/70/72/71/342707271.db2.gz QQDXBBVSRSGNTM-BDAKNGLRSA-N 1 0 281.312 1.459 20 5 CDBDRO [NH3+][C@H]1C[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000592558257 342709455 /nfs/dbraw/zinc/70/94/55/342709455.db2.gz FMKXCSSFIPEKAH-TXEJJXNPSA-N 1 0 289.335 1.823 20 5 CDBDRO C[C@H](CO)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000593083370 342763461 /nfs/dbraw/zinc/76/34/61/342763461.db2.gz LPEVEUCPERCRLY-LLVKDONJSA-N 1 0 282.344 1.132 20 5 CDBDRO C[C@@H](CCO)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593108803 342769359 /nfs/dbraw/zinc/76/93/59/342769359.db2.gz CMQOSDPQERMYDK-WCQYABFASA-N 1 0 298.339 1.037 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000070303648 361922961 /nfs/dbraw/zinc/92/29/61/361922961.db2.gz KBAYGAJHWNKDRA-UHFFFAOYSA-N 1 0 251.286 1.195 20 5 CDBDRO Cc1c(NC(=O)[C@@H](N)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000593902957 342853951 /nfs/dbraw/zinc/85/39/51/342853951.db2.gz LWFKXDGVIKRNTA-JTQLQIEISA-N 1 0 280.328 1.121 20 5 CDBDRO CCC(C)(C)[NH+]1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000594593850 342923109 /nfs/dbraw/zinc/92/31/09/342923109.db2.gz FDJKSQXBBSLMPJ-UHFFFAOYSA-N 1 0 295.387 1.947 20 5 CDBDRO C[NH2+]C1(CNC(=O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000600824800 342251664 /nfs/dbraw/zinc/25/16/64/342251664.db2.gz PWBMGLKXTFKXRG-UHFFFAOYSA-N 1 0 293.323 1.232 20 5 CDBDRO C[NH2+]C1(CNC(=O)c2cccc(OC)c2[N+](=O)[O-])CCC1 ZINC000600827222 342251976 /nfs/dbraw/zinc/25/19/76/342251976.db2.gz VKJFWGWVXWQFEU-UHFFFAOYSA-N 1 0 293.323 1.475 20 5 CDBDRO CCOCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000600848065 342252621 /nfs/dbraw/zinc/25/26/21/342252621.db2.gz CKAWXPDQBFBIOP-UHFFFAOYSA-N 1 0 294.355 1.585 20 5 CDBDRO O=[N+]([O-])c1cncc(Cl)c1N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000600886581 342253384 /nfs/dbraw/zinc/25/33/84/342253384.db2.gz OQXQAKGQTFXJAD-BQBZGAKWSA-N 1 0 254.677 1.194 20 5 CDBDRO C[C@@]1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCC(=O)N1 ZINC000453594129 252328515 /nfs/dbraw/zinc/32/85/15/252328515.db2.gz WOYLXDPTJIEPKU-VOKGJARPSA-N 1 0 289.335 1.866 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277252616 282188110 /nfs/dbraw/zinc/18/81/10/282188110.db2.gz VVBZEFYKCBFFQR-SNVBAGLBSA-N 1 0 267.333 1.249 20 5 CDBDRO COc1cc(C(=O)N2CC[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000126044991 187213686 /nfs/dbraw/zinc/21/36/86/187213686.db2.gz SOWGPDMVOSQARA-VIFPVBQESA-N 1 0 279.296 1.037 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000178743896 295684571 /nfs/dbraw/zinc/68/45/71/295684571.db2.gz CGXWMGYHMIFEIX-MRVPVSSYSA-N 1 0 283.715 1.730 20 5 CDBDRO COC[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)OC ZINC000595035677 342997429 /nfs/dbraw/zinc/99/74/29/342997429.db2.gz ZSUOBTATZBPPMD-CMPLNLGQSA-N 1 0 298.339 1.915 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[NH+](C)C ZINC000595047532 342999300 /nfs/dbraw/zinc/99/93/00/342999300.db2.gz GLUSYRGRPYUMJP-SNVBAGLBSA-N 1 0 267.329 1.816 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1C[C@H](O)C1 ZINC000595105051 343004717 /nfs/dbraw/zinc/00/47/17/343004717.db2.gz WCWYUHVVXWUCFE-FXPVBKGRSA-N 1 0 266.297 1.777 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H]1CC[NH3+] ZINC000404343855 349772118 /nfs/dbraw/zinc/77/21/18/349772118.db2.gz GCBVFHDBIIAFBM-CABZTGNLSA-N 1 0 280.328 1.512 20 5 CDBDRO Cc1noc(CN2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595408722 343050669 /nfs/dbraw/zinc/05/06/69/343050669.db2.gz SDTSNUZKQUXVRZ-IUCAKERBSA-N 1 0 268.317 1.416 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000076270020 342320355 /nfs/dbraw/zinc/32/03/55/342320355.db2.gz DJZWFGXLHRWFIR-MRVPVSSYSA-N 1 0 268.321 1.109 20 5 CDBDRO Cc1noc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1[N+](=O)[O-] ZINC000595513713 343082697 /nfs/dbraw/zinc/08/26/97/343082697.db2.gz ZXNCMUYOMSTRHX-OASPWFOLSA-N 1 0 293.323 1.938 20 5 CDBDRO CC(C)OCC[C@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000515235209 362102530 /nfs/dbraw/zinc/10/25/30/362102530.db2.gz VYWIASAHSOWIAQ-HNNXBMFYSA-N 1 0 296.367 1.903 20 5 CDBDRO Cc1cc(C(=O)NC(C)(C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000457203900 365710008 /nfs/dbraw/zinc/71/00/08/365710008.db2.gz JERORJHARYVUKD-UHFFFAOYSA-N 1 0 279.340 1.973 20 5 CDBDRO CC[C@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000078524345 342337987 /nfs/dbraw/zinc/33/79/87/342337987.db2.gz RUHPYONNUBIAFY-GFCCVEGCSA-N 1 0 279.340 1.488 20 5 CDBDRO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595876231 343178136 /nfs/dbraw/zinc/17/81/36/343178136.db2.gz RCFAWCDEWVPLTR-SWLSCSKDSA-N 1 0 294.351 1.924 20 5 CDBDRO COC1CC[NH+](CCNc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000080250554 342351260 /nfs/dbraw/zinc/35/12/60/342351260.db2.gz JNHONDQHSUCGHP-UHFFFAOYSA-N 1 0 294.355 1.821 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000595981211 343210495 /nfs/dbraw/zinc/21/04/95/343210495.db2.gz BFAJQKJFTIZPFK-JTQLQIEISA-N 1 0 265.313 1.252 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000595982256 343210817 /nfs/dbraw/zinc/21/08/17/343210817.db2.gz CWEGOHFOBPZWNZ-JTQLQIEISA-N 1 0 279.340 1.858 20 5 CDBDRO C[C@@]1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]C1 ZINC000595991846 343212911 /nfs/dbraw/zinc/21/29/11/343212911.db2.gz MDXRHGQNZRGNJV-CYBMUJFWSA-N 1 0 297.742 1.659 20 5 CDBDRO O=[N+]([O-])c1cncc(Cl)c1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000596015877 343219139 /nfs/dbraw/zinc/21/91/39/343219139.db2.gz IFRQXDNESRPHQF-WCBMZHEXSA-N 1 0 282.731 1.831 20 5 CDBDRO CN(CCC[NH+](C)C)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596184408 343250917 /nfs/dbraw/zinc/25/09/17/343250917.db2.gz IMUCLISBSYDTLQ-UHFFFAOYSA-N 1 0 254.290 1.083 20 5 CDBDRO C[NH+](C)C[C@H](CO)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC000596244033 343285966 /nfs/dbraw/zinc/28/59/66/343285966.db2.gz OCUVERWQNDYMRT-LLVKDONJSA-N 1 0 290.323 1.477 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596244290 343286015 /nfs/dbraw/zinc/28/60/15/343286015.db2.gz OAIMATXMJVTEOW-BXKDBHETSA-N 1 0 292.339 1.223 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000588977174 342446605 /nfs/dbraw/zinc/44/66/05/342446605.db2.gz GXKKUZKKAFQAKT-QWRGUYRKSA-N 1 0 277.324 1.853 20 5 CDBDRO CSCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609440119 342445725 /nfs/dbraw/zinc/44/57/25/342445725.db2.gz HVEXVSGAPUEOGX-UHFFFAOYSA-N 1 0 284.337 1.819 20 5 CDBDRO Cc1cccc(C(=O)NCC[C@@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000597997610 343685392 /nfs/dbraw/zinc/68/53/92/343685392.db2.gz NRWJLUOFMXDNMK-LLVKDONJSA-N 1 0 279.340 1.973 20 5 CDBDRO COc1ccc(C(=O)N[C@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000111828764 365797640 /nfs/dbraw/zinc/79/76/40/365797640.db2.gz XEBJZIODCJNRAB-NSHDSACASA-N 1 0 295.339 1.707 20 5 CDBDRO C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000598645360 343855786 /nfs/dbraw/zinc/85/57/86/343855786.db2.gz HVSCVSQZSSQVSA-OLZOCXBDSA-N 1 0 294.351 1.924 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598913860 343919017 /nfs/dbraw/zinc/91/90/17/343919017.db2.gz QEQSZPMAQYTTKM-KWQFWETISA-N 1 0 296.302 1.996 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598913210 343919094 /nfs/dbraw/zinc/91/90/94/343919094.db2.gz FGMXDUWHACGAEU-SNVBAGLBSA-N 1 0 296.302 1.950 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598916517 343920671 /nfs/dbraw/zinc/92/06/71/343920671.db2.gz ZZDBBYDEERMXQO-LURJTMIESA-N 1 0 272.692 1.717 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000128191590 187356214 /nfs/dbraw/zinc/35/62/14/187356214.db2.gz ZPBZVXYLRWNHSE-ZIAGYGMSSA-N 1 0 291.351 1.914 20 5 CDBDRO C[C@@H](CCNC(=O)c1c(F)cccc1[N+](=O)[O-])[NH+](C)C ZINC000601668288 344224072 /nfs/dbraw/zinc/22/40/72/344224072.db2.gz YRBYVWAOMAHXRN-VIFPVBQESA-N 1 0 283.303 1.804 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601565791 344192895 /nfs/dbraw/zinc/19/28/95/344192895.db2.gz OWSRRGJRVZJQHU-ONGXEEELSA-N 1 0 276.296 1.481 20 5 CDBDRO Cc1sc(C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)cc1[N+](=O)[O-] ZINC000601976698 344305612 /nfs/dbraw/zinc/30/56/12/344305612.db2.gz XRTHCAWCTSPCQJ-RNCFNFMXSA-N 1 0 295.364 1.837 20 5 CDBDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000602431663 344423882 /nfs/dbraw/zinc/42/38/82/344423882.db2.gz IZMGVMQQLQPQNY-FZMZJTMJSA-N 1 0 293.323 1.609 20 5 CDBDRO CC[NH2+][C@H](C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000602442273 344418542 /nfs/dbraw/zinc/41/85/42/344418542.db2.gz KEBSHBPPWJOOBA-NXEZZACHSA-N 1 0 265.313 1.770 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000602598559 344503949 /nfs/dbraw/zinc/50/39/49/344503949.db2.gz KWAZURQEHMVVAA-UMSPYCQHSA-N 1 0 277.324 1.842 20 5 CDBDRO CC[NH2+][C@@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000602499183 344442201 /nfs/dbraw/zinc/44/22/01/344442201.db2.gz OCKONXGVNGEXLE-JTQLQIEISA-N 1 0 265.313 1.517 20 5 CDBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000602490354 344450207 /nfs/dbraw/zinc/45/02/07/344450207.db2.gz SVDOXTMIWHZARF-DTORHVGOSA-N 1 0 279.271 1.025 20 5 CDBDRO CSC[C@@H](CCO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602555284 344466133 /nfs/dbraw/zinc/46/61/33/344466133.db2.gz FKHWDRSNVHQEGJ-GFCCVEGCSA-N 1 0 284.381 1.841 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000602795303 344586723 /nfs/dbraw/zinc/58/67/23/344586723.db2.gz AIBMAMAPOXRDCQ-GHMZBOCLSA-N 1 0 281.360 1.124 20 5 CDBDRO CC[C@@]1([NH2+]CCn2c(C)ncc2[N+](=O)[O-])CCOC1 ZINC000602826181 344611942 /nfs/dbraw/zinc/61/19/42/344611942.db2.gz LELITRPRKFASRK-GFCCVEGCSA-N 1 0 268.317 1.258 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602832532 344614543 /nfs/dbraw/zinc/61/45/43/344614543.db2.gz OZJPJAKQAVRAFZ-LBPRGKRZSA-N 1 0 281.360 1.126 20 5 CDBDRO Cc1ccnc(N[C@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000382437712 362469430 /nfs/dbraw/zinc/46/94/30/362469430.db2.gz XJPOKZBKHSFWNE-ZJUUUORDSA-N 1 0 250.302 1.980 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000602817864 344608394 /nfs/dbraw/zinc/60/83/94/344608394.db2.gz VCFDMRMOPHZPFA-DMDPSCGWSA-N 1 0 296.371 1.581 20 5 CDBDRO Cc1c(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)cccc1[N+](=O)[O-] ZINC000602907214 344644435 /nfs/dbraw/zinc/64/44/35/344644435.db2.gz LIWAEOXVWWBBSS-GXTWGEPZSA-N 1 0 280.324 1.221 20 5 CDBDRO [NH3+]CCCc1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000603203972 344735324 /nfs/dbraw/zinc/73/53/24/344735324.db2.gz SZAGGIZKTHDMNW-UHFFFAOYSA-N 1 0 279.275 1.265 20 5 CDBDRO C[C@@H]1C[NH+](CCCNc2cccnc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000603845210 344838027 /nfs/dbraw/zinc/83/80/27/344838027.db2.gz LUIUKZDFJHCPHC-VXGBXAGGSA-N 1 0 294.355 1.901 20 5 CDBDRO Cc1cccc(C(=O)NC[C@H]([NH3+])C2CC2)c1[N+](=O)[O-] ZINC000129195654 362531346 /nfs/dbraw/zinc/53/13/46/362531346.db2.gz XMNZJFQSOJPJQN-NSHDSACASA-N 1 0 263.297 1.370 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](O)CC1 ZINC000293158445 362533868 /nfs/dbraw/zinc/53/38/68/362533868.db2.gz OOFHBFWOQPOWQH-LBPRGKRZSA-N 1 0 250.298 1.942 20 5 CDBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000129340441 345315072 /nfs/dbraw/zinc/31/50/72/345315072.db2.gz NYUVPWIMLDAMRB-STQMWFEESA-N 1 0 264.325 1.886 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3ccsc3[N+](=O)[O-])C[C@H]2C1 ZINC000618686165 345999393 /nfs/dbraw/zinc/99/93/93/345999393.db2.gz ABFZMCJGEDKYBY-DTORHVGOSA-N 1 0 253.327 1.654 20 5 CDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)CO ZINC000609894843 346037005 /nfs/dbraw/zinc/03/70/05/346037005.db2.gz FDWZWISWZXPQPO-GFCCVEGCSA-N 1 0 298.339 1.037 20 5 CDBDRO COc1cc(NC[C@](C)(O)C[NH+](C)C)c([N+](=O)[O-])cc1C ZINC000314742674 346038451 /nfs/dbraw/zinc/03/84/51/346038451.db2.gz LOOIWOPQGPDPCM-AWEZNQCLSA-N 1 0 297.355 1.636 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)[C@H]1CCOC1 ZINC000539071483 282446255 /nfs/dbraw/zinc/44/62/55/282446255.db2.gz QDHPHBHFKBWRBN-SLEUVZQESA-N 1 0 294.351 1.951 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000127601338 187318860 /nfs/dbraw/zinc/31/88/60/187318860.db2.gz PYQMTKDNCAVRFG-OLZOCXBDSA-N 1 0 289.335 1.870 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000085370627 179040850 /nfs/dbraw/zinc/04/08/50/179040850.db2.gz AKTURGAEDVNTBR-QWHCGFSZSA-N 1 0 277.324 1.381 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccccn1 ZINC000611442798 346789087 /nfs/dbraw/zinc/78/90/87/346789087.db2.gz APBATIDSOVURLW-SNVBAGLBSA-N 1 0 275.312 1.846 20 5 CDBDRO C[C@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000273421753 192144874 /nfs/dbraw/zinc/14/48/74/192144874.db2.gz YZZYWZGGBYALFB-XQQFMLRXSA-N 1 0 294.351 1.922 20 5 CDBDRO C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000025149478 348620199 /nfs/dbraw/zinc/62/01/99/348620199.db2.gz RYAYDFMMRHBHLB-MRVPVSSYSA-N 1 0 285.731 1.928 20 5 CDBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665071 349128306 /nfs/dbraw/zinc/12/83/06/349128306.db2.gz GJSUZBBORGFCIN-GFCCVEGCSA-N 1 0 294.355 1.903 20 5 CDBDRO C[C@@H]1C[C@@H](C)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550309 180003131 /nfs/dbraw/zinc/00/31/31/180003131.db2.gz KSMOQEAWNFKKAS-NWDGAFQWSA-N 1 0 279.340 1.877 20 5 CDBDRO COC[C@@H](O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090953143 180073149 /nfs/dbraw/zinc/07/31/49/180073149.db2.gz WWIHGFBXRVRQKH-MFKMUULPSA-N 1 0 268.313 1.643 20 5 CDBDRO COC[C@H](CCO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515669952 362957331 /nfs/dbraw/zinc/95/73/31/362957331.db2.gz FSSJOAGDGMBUHS-GXFFZTMASA-N 1 0 280.324 1.569 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CCCNC(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000111828119 350500810 /nfs/dbraw/zinc/50/08/10/350500810.db2.gz DMGCGCIGEYCJHI-ZYHUDNBSSA-N 1 0 277.324 1.914 20 5 CDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000109626584 186268691 /nfs/dbraw/zinc/26/86/91/186268691.db2.gz BQFPKHBYJUJPEG-SECBINFHSA-N 1 0 295.343 1.047 20 5 CDBDRO CCC(CC)(C[NH3+])NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000109705771 186269000 /nfs/dbraw/zinc/26/90/00/186269000.db2.gz VAKOIUXTCPSVCZ-UHFFFAOYSA-N 1 0 279.340 1.771 20 5 CDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000110796050 186325441 /nfs/dbraw/zinc/32/54/41/186325441.db2.gz IUNWYYXYLQONDE-VIFPVBQESA-N 1 0 297.742 1.978 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000312781127 350792350 /nfs/dbraw/zinc/79/23/50/350792350.db2.gz FWBNOEITDNEYHG-ZYHUDNBSSA-N 1 0 282.344 1.335 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000111303679 186394076 /nfs/dbraw/zinc/39/40/76/186394076.db2.gz RILWJQJHKIICQH-BWNDKRECSA-N 1 0 263.297 1.462 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000123796014 351286640 /nfs/dbraw/zinc/28/66/40/351286640.db2.gz AENXONHKCCENNQ-WCBMZHEXSA-N 1 0 271.342 1.204 20 5 CDBDRO CN(CCC[NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000516262112 363055778 /nfs/dbraw/zinc/05/57/78/363055778.db2.gz MPWFQNVESRVKNU-UHFFFAOYSA-N 1 0 280.328 1.128 20 5 CDBDRO C[C@H](NC(=O)NC[C@H](C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000454353615 252343981 /nfs/dbraw/zinc/34/39/81/252343981.db2.gz CFCMSAIXVXHZGT-QWRGUYRKSA-N 1 0 294.355 1.905 20 5 CDBDRO Cc1nn(C)c(NC[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000291921951 198105911 /nfs/dbraw/zinc/10/59/11/198105911.db2.gz RQARFBFQIPUMKQ-MRVPVSSYSA-N 1 0 255.322 1.246 20 5 CDBDRO CCC[NH2+]CCNc1c([N+](=O)[O-])c(C)nn1CC ZINC000091559089 535174173 /nfs/dbraw/zinc/17/41/73/535174173.db2.gz SLSXLLMHZLYZPA-UHFFFAOYSA-N 1 0 255.322 1.531 20 5 CDBDRO COc1ccc(NC(=O)[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000136484477 363122790 /nfs/dbraw/zinc/12/27/90/363122790.db2.gz YRKUSQDVPNFCGU-LLVKDONJSA-N 1 0 267.285 1.525 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@]1(O)CCOC1 ZINC000516583622 363154357 /nfs/dbraw/zinc/15/43/57/363154357.db2.gz DOPVDZHQCJTDGP-OCCSQVGLSA-N 1 0 278.308 1.323 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135216973 187808573 /nfs/dbraw/zinc/80/85/73/187808573.db2.gz BODWAQNTGRFRKR-RISCZKNCSA-N 1 0 291.351 1.866 20 5 CDBDRO Cc1cc(NC(=O)N2CC([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000153837054 188107505 /nfs/dbraw/zinc/10/75/05/188107505.db2.gz UTPYOVAWGQXXMW-UHFFFAOYSA-N 1 0 278.312 1.681 20 5 CDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158395072 188373717 /nfs/dbraw/zinc/37/37/17/188373717.db2.gz SEYDNMNYRDXNQO-AWEZNQCLSA-N 1 0 293.298 1.560 20 5 CDBDRO C[NH2+]CC1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000063159415 363236725 /nfs/dbraw/zinc/23/67/25/363236725.db2.gz DUBCLXJODYYTDP-UHFFFAOYSA-N 1 0 280.328 1.005 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000160648751 188485406 /nfs/dbraw/zinc/48/54/06/188485406.db2.gz NQTKLUHRLXOZNQ-SECBINFHSA-N 1 0 295.364 1.751 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](CCO)c2ccccc2)c1 ZINC000271717094 191289275 /nfs/dbraw/zinc/28/92/75/191289275.db2.gz WAVSLPZXNKJQCM-CQSZACIVSA-N 1 0 290.323 1.505 20 5 CDBDRO CCC[C@@H]([NH3+])C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000036872995 363283925 /nfs/dbraw/zinc/28/39/25/363283925.db2.gz QWXTUIDKZJVOPP-SNVBAGLBSA-N 1 0 251.286 1.969 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)cc1 ZINC000411984273 363396511 /nfs/dbraw/zinc/39/65/11/363396511.db2.gz CKWYEWKZVAPKOJ-JSGCOSHPSA-N 1 0 280.324 1.472 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1OC[C@H](O)C[N@@H+](C)C1CC1 ZINC000290784424 358494481 /nfs/dbraw/zinc/49/44/81/358494481.db2.gz NJNBTFCEJBHHDI-CYBMUJFWSA-N 1 0 280.324 1.737 20 5 CDBDRO C[N@@H+]1CC[C@@H]2OCCN(Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000332351123 283089017 /nfs/dbraw/zinc/08/90/17/283089017.db2.gz ZKABTWMZWZDMIN-GJZGRUSLSA-N 1 0 291.351 1.500 20 5 CDBDRO [NH3+][C@@H](CC(F)F)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000336808356 356271756 /nfs/dbraw/zinc/27/17/56/356271756.db2.gz BQXBTMKDZHEPFO-QMMMGPOBSA-N 1 0 273.239 1.194 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@@H]1CO ZINC000227193930 356414610 /nfs/dbraw/zinc/41/46/10/356414610.db2.gz IDGYCVGYPGMFQT-MFKMUULPSA-N 1 0 280.324 1.806 20 5 CDBDRO C[C@H]([NH2+]CCCC(=O)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293945045 198839400 /nfs/dbraw/zinc/83/94/00/198839400.db2.gz YWIXGPUJJUJAQG-JTQLQIEISA-N 1 0 294.355 1.696 20 5 CDBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000290581474 357224716 /nfs/dbraw/zinc/22/47/16/357224716.db2.gz LPOLERGZQAMJFR-SECBINFHSA-N 1 0 283.332 1.168 20 5 CDBDRO COc1cccc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC000261710396 357289310 /nfs/dbraw/zinc/28/93/10/357289310.db2.gz JIZZTWGUEGJMQA-GHMZBOCLSA-N 1 0 277.324 1.649 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCC1CC(O)C1 ZINC000432344925 357251285 /nfs/dbraw/zinc/25/12/85/357251285.db2.gz CRODOWHUWXAMQD-UHFFFAOYSA-N 1 0 250.298 1.845 20 5 CDBDRO [NH3+]CCCCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000181057856 357308014 /nfs/dbraw/zinc/30/80/14/357308014.db2.gz IMOIMUXEOUQEAX-UHFFFAOYSA-N 1 0 292.339 1.638 20 5 CDBDRO CCS(=O)(=O)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000086974263 357270365 /nfs/dbraw/zinc/27/03/65/357270365.db2.gz QMDIUWIRADLVOD-UHFFFAOYSA-N 1 0 286.353 1.509 20 5 CDBDRO COCCC[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181577659 357362533 /nfs/dbraw/zinc/36/25/33/357362533.db2.gz NPAGAVPEYLSRDT-LBPRGKRZSA-N 1 0 298.339 1.303 20 5 CDBDRO COc1cccc(C(=O)N[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000566204493 357437880 /nfs/dbraw/zinc/43/78/80/357437880.db2.gz GYFUIJXFDUMHLN-SECBINFHSA-N 1 0 279.296 1.085 20 5 CDBDRO COCC1=CC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000185835723 357582870 /nfs/dbraw/zinc/58/28/70/357582870.db2.gz VHOYMYBQRRIXDE-UHFFFAOYSA-N 1 0 266.301 1.070 20 5 CDBDRO CCc1ccc(C(=O)NCC2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000186295486 357634512 /nfs/dbraw/zinc/63/45/12/357634512.db2.gz CKDZEHSNSOTNEN-UHFFFAOYSA-N 1 0 289.335 1.807 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000186699318 357677743 /nfs/dbraw/zinc/67/77/43/357677743.db2.gz KKASABHTNVWYBI-ZYHUDNBSSA-N 1 0 292.339 1.121 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000186809962 357694916 /nfs/dbraw/zinc/69/49/16/357694916.db2.gz HVSWZEPDKFXSAC-XTYWZOAOSA-N 1 0 289.335 1.722 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000187669454 357792167 /nfs/dbraw/zinc/79/21/67/357792167.db2.gz XLDZJAWGQMPJIW-CDBNLRSOSA-N 1 0 278.308 1.036 20 5 CDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000408052940 357795202 /nfs/dbraw/zinc/79/52/02/357795202.db2.gz WKZNRLXJZHZZSS-ZWNOBZJWSA-N 1 0 292.339 1.479 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000135236904 357800649 /nfs/dbraw/zinc/80/06/49/357800649.db2.gz NPPCDQJHZCSYDS-VHSXEESVSA-N 1 0 295.314 1.933 20 5 CDBDRO C[NH+](C)C[C@H](O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566476198 357821402 /nfs/dbraw/zinc/82/14/02/357821402.db2.gz UMPXVMYAOGAFKA-MFKMUULPSA-N 1 0 279.340 1.094 20 5 CDBDRO COC[C@H]([NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000262316864 357865244 /nfs/dbraw/zinc/86/52/44/357865244.db2.gz PVYALGYQLVFYEM-ZDUSSCGKSA-N 1 0 293.323 1.060 20 5 CDBDRO C[C@H](C[S@](C)=O)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294450987 199044563 /nfs/dbraw/zinc/04/45/63/199044563.db2.gz VQKGRJWQECOOFR-LQJGKPAFSA-N 1 0 285.369 1.595 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)cc1 ZINC000188812719 357940018 /nfs/dbraw/zinc/94/00/18/357940018.db2.gz SMRJMTYUKCDITA-DGCLKSJQSA-N 1 0 250.298 1.845 20 5 CDBDRO COC[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)OC ZINC000234684216 358243485 /nfs/dbraw/zinc/24/34/85/358243485.db2.gz VCJQHSFADCAWPY-CYBMUJFWSA-N 1 0 268.313 1.388 20 5 CDBDRO Cc1ccnc(N2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000408174288 358260891 /nfs/dbraw/zinc/26/08/91/358260891.db2.gz IKVUUKHUQDMLFO-UHFFFAOYSA-N 1 0 276.340 1.973 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000287254561 358353881 /nfs/dbraw/zinc/35/38/81/358353881.db2.gz RFHKKBANJNFYEE-NSHDSACASA-N 1 0 295.339 1.430 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000287256690 358354022 /nfs/dbraw/zinc/35/40/22/358354022.db2.gz RJUQGFQMKYDUIB-JTQLQIEISA-N 1 0 265.313 1.204 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]CC2)c1 ZINC000422702050 535426504 /nfs/dbraw/zinc/42/65/04/535426504.db2.gz JXEGYSHIISYJBM-UHFFFAOYSA-N 1 0 279.296 1.039 20 5 CDBDRO CC1(C)CN(CCNc2ncc([N+](=O)[O-])s2)CCO1 ZINC000195512306 358434178 /nfs/dbraw/zinc/43/41/78/358434178.db2.gz YGIXHBXYAAYDIP-UHFFFAOYSA-N 1 0 286.357 1.574 20 5 CDBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCO ZINC000290842027 358667567 /nfs/dbraw/zinc/66/75/67/358667567.db2.gz IVSIUYDCDWZYQC-UHFFFAOYSA-N 1 0 265.096 1.984 20 5 CDBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(C)(C)O ZINC000267145420 358845800 /nfs/dbraw/zinc/84/58/00/358845800.db2.gz ASLUEKQPGIQDLN-UHFFFAOYSA-N 1 0 270.333 1.274 20 5 CDBDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000449460696 358886972 /nfs/dbraw/zinc/88/69/72/358886972.db2.gz RQRLQOYAVFPUJA-JSGCOSHPSA-N 1 0 280.324 1.736 20 5 CDBDRO C[C@H](C[NH+](C)C)NCc1ccc([N+](=O)[O-])cc1F ZINC000342217282 358967019 /nfs/dbraw/zinc/96/70/19/358967019.db2.gz QPDHZHLYMRWIEF-SECBINFHSA-N 1 0 255.293 1.774 20 5 CDBDRO Cc1nc(N2CC[N@H+](C)[C@H](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000450478830 358920489 /nfs/dbraw/zinc/92/04/89/358920489.db2.gz JLEDDUKBAZQURF-LBPRGKRZSA-N 1 0 279.344 1.470 20 5 CDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000449617959 283417801 /nfs/dbraw/zinc/41/78/01/283417801.db2.gz XBOMHNQFXUXOFG-AYBYRNOTSA-N 1 0 278.312 1.169 20 5 CDBDRO CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000132695826 359097849 /nfs/dbraw/zinc/09/78/49/359097849.db2.gz SLKIXUKCJWEGNY-JTQLQIEISA-N 1 0 283.715 1.682 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)CCC[NH3+] ZINC000382322852 359052122 /nfs/dbraw/zinc/05/21/22/359052122.db2.gz RKKYPLCUNFIHGA-JTQLQIEISA-N 1 0 265.313 1.760 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000381498446 359052796 /nfs/dbraw/zinc/05/27/96/359052796.db2.gz SAUKGOPUBXJDQH-CAFLDADYSA-N 1 0 263.297 1.460 20 5 CDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[NH2+]C1 ZINC000050163113 359352626 /nfs/dbraw/zinc/35/26/26/359352626.db2.gz XQTWKCUMYNMGBI-VHSXEESVSA-N 1 0 295.314 1.852 20 5 CDBDRO CC(=O)c1cc(N2CCC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000228257043 359645081 /nfs/dbraw/zinc/64/50/81/359645081.db2.gz BJKUHTXNKOQGIN-UHFFFAOYSA-N 1 0 277.324 1.939 20 5 CDBDRO COc1cccc(NC[C@@H]2COCC[NH2+]2)c1[N+](=O)[O-] ZINC000234985139 359668410 /nfs/dbraw/zinc/66/84/10/359668410.db2.gz IMZCTMMLAFUKNP-SECBINFHSA-N 1 0 267.285 1.004 20 5 CDBDRO C[N@@H+]1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000297813529 200285533 /nfs/dbraw/zinc/28/55/33/200285533.db2.gz IQENRKZDPMGGGK-UHFFFAOYSA-N 1 0 263.341 1.775 20 5 CDBDRO C[NH2+]CCCC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269235294 283509591 /nfs/dbraw/zinc/50/95/91/283509591.db2.gz JZRDCOIFLXCPGT-UHFFFAOYSA-N 1 0 285.731 1.864 20 5 CDBDRO C[NH2+]CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000054244904 359997632 /nfs/dbraw/zinc/99/76/32/359997632.db2.gz ABOXPRSXAJBJES-UHFFFAOYSA-N 1 0 275.106 1.384 20 5 CDBDRO CC(C)[C@@H](CO)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000180616028 189265624 /nfs/dbraw/zinc/26/56/24/189265624.db2.gz FHCGIQQKFZWFMD-LLVKDONJSA-N 1 0 268.313 1.580 20 5 CDBDRO CC(C)[N@H+](CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000267627442 361234418 /nfs/dbraw/zinc/23/44/18/361234418.db2.gz YRHQWDSUFXBOJC-UHFFFAOYSA-N 1 0 295.339 1.626 20 5 CDBDRO O=C1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C2(CCC2)N1 ZINC000282578126 239119203 /nfs/dbraw/zinc/11/92/03/239119203.db2.gz BBQYEVZBFROGKX-CYBMUJFWSA-N 1 0 289.335 1.886 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000267931305 363869218 /nfs/dbraw/zinc/86/92/18/363869218.db2.gz OCFZTQNNOHZQPZ-UHFFFAOYSA-N 1 0 291.351 1.692 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000455340214 252389307 /nfs/dbraw/zinc/38/93/07/252389307.db2.gz VOCJRRYUMZZMBP-SECBINFHSA-N 1 0 296.302 1.807 20 5 CDBDRO C[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000137171924 364067572 /nfs/dbraw/zinc/06/75/72/364067572.db2.gz QFVWTOLOAKIPBZ-SNVBAGLBSA-N 1 0 295.343 1.170 20 5 CDBDRO Cc1cc(C(=O)NCC2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000271990024 365035725 /nfs/dbraw/zinc/03/57/25/365035725.db2.gz PWKJHKQOJWEUPF-UHFFFAOYSA-N 1 0 289.335 1.895 20 5 CDBDRO Cc1nc(N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000272258573 365157736 /nfs/dbraw/zinc/15/77/36/365157736.db2.gz ZPZYGOKGKHWGQD-AAEUAGOBSA-N 1 0 276.340 1.829 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000384726740 365409477 /nfs/dbraw/zinc/40/94/77/365409477.db2.gz NLVJIHTTZPIKDX-DSAOOCMMSA-N 1 0 289.335 1.804 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000459821894 366940564 /nfs/dbraw/zinc/94/05/64/366940564.db2.gz GIOSZBAFJSQHCO-JIMOISOXSA-N 1 0 266.297 1.659 20 5 CDBDRO O=C1CCCN1[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000270966922 366947648 /nfs/dbraw/zinc/94/76/48/366947648.db2.gz VRHKHWBZTORJBG-AWEZNQCLSA-N 1 0 289.335 1.792 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[NH3+] ZINC000414663459 241309607 /nfs/dbraw/zinc/30/96/07/241309607.db2.gz SDYPSZAWZCCHPC-QMMMGPOBSA-N 1 0 252.274 1.372 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000414697168 241333376 /nfs/dbraw/zinc/33/33/76/241333376.db2.gz ICLXMOYTMXVMAW-VIFPVBQESA-N 1 0 266.301 1.762 20 5 CDBDRO O=[N+]([O-])c1ccc(CNC[C@H]2C[NH2+]CCCO2)c(F)c1 ZINC000415042552 241530446 /nfs/dbraw/zinc/53/04/46/241530446.db2.gz QQTMQQQKASQOSS-GFCCVEGCSA-N 1 0 283.303 1.202 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CC[C@H]2C2CC2)c1 ZINC000348382429 367241256 /nfs/dbraw/zinc/24/12/56/367241256.db2.gz NZJFGAIUTPNSHR-RYUDHWBXSA-N 1 0 250.302 1.570 20 5 CDBDRO C[NH+](C)C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000417131062 242331070 /nfs/dbraw/zinc/33/10/70/242331070.db2.gz CJWSNPHSJZUBAV-UHFFFAOYSA-N 1 0 278.312 1.811 20 5 CDBDRO C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000546811827 367950884 /nfs/dbraw/zinc/95/08/84/367950884.db2.gz LLOYNBFGZXTLMU-AWEZNQCLSA-N 1 0 293.323 1.041 20 5 CDBDRO Cc1cccc(C(=O)NC[C@H](C2CC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000125952003 368264405 /nfs/dbraw/zinc/26/44/05/368264405.db2.gz AMCJIOLZZKRXJC-CYBMUJFWSA-N 1 0 291.351 1.973 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000089091234 368827618 /nfs/dbraw/zinc/82/76/18/368827618.db2.gz ZVFRHAZNUASYPQ-YUMQZZPRSA-N 1 0 253.258 1.045 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000389724374 368837733 /nfs/dbraw/zinc/83/77/33/368837733.db2.gz JLRYCWBTAZBUIV-GXSJLCMTSA-N 1 0 277.324 1.631 20 5 CDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000330636100 203065888 /nfs/dbraw/zinc/06/58/88/203065888.db2.gz UWTZTBWHBPZOTR-NWDGAFQWSA-N 1 0 291.351 1.688 20 5 CDBDRO C[C@@H](CCC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000420438598 244234170 /nfs/dbraw/zinc/23/41/70/244234170.db2.gz LGZHWYHGLGDORK-ZETCQYMHSA-N 1 0 293.370 1.062 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCO)n1 ZINC000331028027 203478671 /nfs/dbraw/zinc/47/86/71/203478671.db2.gz XNRNFTSFFGZQBX-QWRGUYRKSA-N 1 0 268.317 1.247 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000295290196 369876832 /nfs/dbraw/zinc/87/68/32/369876832.db2.gz UFPACSWYIFYIQP-VIFPVBQESA-N 1 0 285.731 1.644 20 5 CDBDRO CC(C)[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CS1 ZINC000277066163 193545830 /nfs/dbraw/zinc/54/58/30/193545830.db2.gz DNGYNRVQLBGIHX-PWSUYJOCSA-N 1 0 284.385 1.911 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)C2CC2)c1 ZINC000266123420 370300438 /nfs/dbraw/zinc/30/04/38/370300438.db2.gz WWOARMZAQBJMSQ-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO Cc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000089183047 370394969 /nfs/dbraw/zinc/39/49/69/370394969.db2.gz UNSUOVDEDJNOBL-UHFFFAOYSA-N 1 0 274.324 1.969 20 5 CDBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000266180411 370547961 /nfs/dbraw/zinc/54/79/61/370547961.db2.gz SFWGERRDCCQJTM-LLVKDONJSA-N 1 0 294.355 1.869 20 5 CDBDRO C[C@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C(N)=O ZINC000346672151 370577646 /nfs/dbraw/zinc/57/76/46/370577646.db2.gz TUOLEKHFPMKAQW-DTWKUNHWSA-N 1 0 297.742 1.801 20 5 CDBDRO COc1cc(CN[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000414891314 371018718 /nfs/dbraw/zinc/01/87/18/371018718.db2.gz WPFNJSRSBSVUAM-JTQLQIEISA-N 1 0 281.312 1.064 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(C3CC3)CC2)c1 ZINC000368326957 373205859 /nfs/dbraw/zinc/20/58/59/373205859.db2.gz DYAPLMSLGUPZRU-CQSZACIVSA-N 1 0 294.355 1.274 20 5 CDBDRO Cc1sc(C(=O)NC[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000441621302 373713291 /nfs/dbraw/zinc/71/32/91/373713291.db2.gz BEDWYBRPKDAFRO-LURJTMIESA-N 1 0 257.315 1.289 20 5 CDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc([N+](=O)[O-])s1 ZINC000368384863 373836358 /nfs/dbraw/zinc/83/63/58/373836358.db2.gz KTVRNTZJZFYVSD-BQBZGAKWSA-N 1 0 273.289 1.086 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCO[C@H]2C2CC2)c1 ZINC000368463262 373841098 /nfs/dbraw/zinc/84/10/98/373841098.db2.gz UASVEFYOVLMEKW-ZNMIVQPWSA-N 1 0 292.335 1.785 20 5 CDBDRO Cc1nc(NC[C@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000161546025 374216577 /nfs/dbraw/zinc/21/65/77/374216577.db2.gz GXWJWUXTSPBTHU-SNVBAGLBSA-N 1 0 250.302 1.662 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000161614404 374355018 /nfs/dbraw/zinc/35/50/18/374355018.db2.gz IIVOHDHTFZOWET-VHSXEESVSA-N 1 0 263.297 1.595 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NCCc1cccc([N+](=O)[O-])c1 ZINC000423011839 374366409 /nfs/dbraw/zinc/36/64/09/374366409.db2.gz JMEWHZSUOWZDEK-RISCZKNCSA-N 1 0 263.341 1.725 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[NH2+]CC2)c1 ZINC000369946127 374370121 /nfs/dbraw/zinc/37/01/21/374370121.db2.gz QFQBFWSOVWAQEM-JTQLQIEISA-N 1 0 293.323 1.475 20 5 CDBDRO C[C@H]([NH3+])CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423227263 374372782 /nfs/dbraw/zinc/37/27/82/374372782.db2.gz VCRRFDQJTLWPOC-QWRGUYRKSA-N 1 0 251.330 1.853 20 5 CDBDRO COc1cc(C(=O)NC[C@H](C)C[NH3+])cc([N+](=O)[O-])c1C ZINC000423464984 374383884 /nfs/dbraw/zinc/38/38/84/374383884.db2.gz WGRKXPUZHCZSAZ-MRVPVSSYSA-N 1 0 281.312 1.236 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000423479754 374385366 /nfs/dbraw/zinc/38/53/66/374385366.db2.gz ODTQPHAVFOTNLQ-LBPRGKRZSA-N 1 0 291.351 1.987 20 5 CDBDRO Cc1c([C@H](C)NC[C@@H]2C[NH2+]CCCO2)cccc1[N+](=O)[O-] ZINC000423504523 374386259 /nfs/dbraw/zinc/38/62/59/374386259.db2.gz GDBHYZJTSMUAIA-STQMWFEESA-N 1 0 293.367 1.932 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)CC[NH2+]C ZINC000423528704 374387332 /nfs/dbraw/zinc/38/73/32/374387332.db2.gz WSZPBYBFHPTZSG-UHFFFAOYSA-N 1 0 281.312 1.285 20 5 CDBDRO Cc1c(CC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000423528133 374388051 /nfs/dbraw/zinc/38/80/51/374388051.db2.gz NCPIMCANVVSLCZ-AAEUAGOBSA-N 1 0 291.351 1.641 20 5 CDBDRO C[C@]1(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000423527102 374388124 /nfs/dbraw/zinc/38/81/24/374388124.db2.gz RDAPZOVMARSOFB-AWEZNQCLSA-N 1 0 292.339 1.297 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000389751135 374419010 /nfs/dbraw/zinc/41/90/10/374419010.db2.gz KYNMIFZUHRPTOL-PELKAZGASA-N 1 0 281.287 1.462 20 5 CDBDRO Cc1ccc(C(=O)N(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000080394195 374464894 /nfs/dbraw/zinc/46/48/94/374464894.db2.gz FCSCIVTZQAOEMQ-UHFFFAOYSA-N 1 0 265.313 1.537 20 5 CDBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1c([N+](=O)[O-])ncn1C ZINC000375738492 374509300 /nfs/dbraw/zinc/50/93/00/374509300.db2.gz OSBQYYHFWHFYJP-BSFRTMCYSA-N 1 0 292.339 1.184 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000423944527 246242976 /nfs/dbraw/zinc/24/29/76/246242976.db2.gz FVCRBVSEVMXPMG-LBPRGKRZSA-N 1 0 295.339 1.463 20 5 CDBDRO Nc1ccc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000376184915 374542537 /nfs/dbraw/zinc/54/25/37/374542537.db2.gz CSMXNPHGDDHVBG-NWDGAFQWSA-N 1 0 292.339 1.452 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000376645477 374566175 /nfs/dbraw/zinc/56/61/75/374566175.db2.gz UNQVEXJUMDGHLK-NWDGAFQWSA-N 1 0 293.371 1.244 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000429170931 374571005 /nfs/dbraw/zinc/57/10/05/374571005.db2.gz MDYWHDVKDDBJGV-SKDRFNHKSA-N 1 0 293.323 1.413 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000070145762 374649997 /nfs/dbraw/zinc/64/99/97/374649997.db2.gz WELOCADLOMSDLE-MFKMUULPSA-N 1 0 277.324 1.713 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000070172512 374653883 /nfs/dbraw/zinc/65/38/83/374653883.db2.gz PKRYMIXDJRMEEF-GHMZBOCLSA-N 1 0 277.324 1.794 20 5 CDBDRO CC(C)[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274760166 374681839 /nfs/dbraw/zinc/68/18/39/374681839.db2.gz RKNJQRQGFLASMY-UHFFFAOYSA-N 1 0 295.339 1.761 20 5 CDBDRO CCNC(=O)C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000277461035 374788547 /nfs/dbraw/zinc/78/85/47/374788547.db2.gz QNVLOMPLWRIKMI-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000094340333 374831303 /nfs/dbraw/zinc/83/13/03/374831303.db2.gz CTBJIAAQLKOKHI-VXNVDRBHSA-N 1 0 269.326 1.466 20 5 CDBDRO O=C(C[NH2+]Cc1cccc([N+](=O)[O-])c1)NCC(F)F ZINC000280337424 374992792 /nfs/dbraw/zinc/99/27/92/374992792.db2.gz QZAJXIZYQVPBHL-UHFFFAOYSA-N 1 0 273.239 1.066 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCC1 ZINC000332030072 374998084 /nfs/dbraw/zinc/99/80/84/374998084.db2.gz UZUSSGANNKGASW-UHFFFAOYSA-N 1 0 266.301 1.137 20 5 CDBDRO CC1=C(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000280516321 375001225 /nfs/dbraw/zinc/00/12/25/375001225.db2.gz DLQFUISMPVYEQT-UHFFFAOYSA-N 1 0 250.302 1.833 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(O)CCCC2)cc1 ZINC000096479274 375105453 /nfs/dbraw/zinc/10/54/53/375105453.db2.gz KSWVBSMQPRPPRG-UHFFFAOYSA-N 1 0 250.298 1.990 20 5 CDBDRO CCC[NH2+][C@H](C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000296248712 375047098 /nfs/dbraw/zinc/04/70/98/375047098.db2.gz CVKUHJOHEBEAJY-LLVKDONJSA-N 1 0 279.340 1.642 20 5 CDBDRO C[C@@]1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000161734554 375168028 /nfs/dbraw/zinc/16/80/28/375168028.db2.gz WOJFBDDNWYJTNU-CYBMUJFWSA-N 1 0 250.298 1.906 20 5 CDBDRO Cc1cc(N2CC[N@H+](CCO)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000302514091 375211419 /nfs/dbraw/zinc/21/14/19/375211419.db2.gz GUHNKSOICWCECA-UHFFFAOYSA-N 1 0 293.367 1.796 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000493482818 375458044 /nfs/dbraw/zinc/45/80/44/375458044.db2.gz ATJNVFCPXDMNJK-RIVSHMCHSA-N 1 0 275.308 1.556 20 5 CDBDRO O=C(NCCn1ccnc1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347303570 375461864 /nfs/dbraw/zinc/46/18/64/375461864.db2.gz NMMIALUSMSKATI-UHFFFAOYSA-N 1 0 293.258 1.752 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)C[NH+](C)C ZINC000293894458 375410502 /nfs/dbraw/zinc/41/05/02/375410502.db2.gz QTVLMRCSYPYVMU-JTQLQIEISA-N 1 0 279.340 1.831 20 5 CDBDRO Cc1ccc(NCCCNC2=[NH+]CCCN2)c([N+](=O)[O-])c1 ZINC000304252296 375419634 /nfs/dbraw/zinc/41/96/34/375419634.db2.gz AOCTZKGWNJQUBR-UHFFFAOYSA-N 1 0 291.355 1.644 20 5 CDBDRO COCC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000049236898 375420268 /nfs/dbraw/zinc/42/02/68/375420268.db2.gz GVAPSZXSHOVKHG-UHFFFAOYSA-N 1 0 281.312 1.502 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000049480202 375447443 /nfs/dbraw/zinc/44/74/43/375447443.db2.gz MKTLISYYHVASNJ-NSHDSACASA-N 1 0 281.360 1.861 20 5 CDBDRO Cc1ccc(CN2CCN3C(=O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000352865770 375546520 /nfs/dbraw/zinc/54/65/20/375546520.db2.gz DMGYYZUOQXAPBI-CYBMUJFWSA-N 1 0 289.335 1.710 20 5 CDBDRO CCCN(CC[NH+](C)C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000344860779 375622111 /nfs/dbraw/zinc/62/21/11/375622111.db2.gz DTVKAVGIHSSUHG-UHFFFAOYSA-N 1 0 293.367 1.938 20 5 CDBDRO C[C@H](C1CCC1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000357026859 375629418 /nfs/dbraw/zinc/62/94/18/375629418.db2.gz REHQXHHHEAAACO-SNVBAGLBSA-N 1 0 252.318 1.912 20 5 CDBDRO CNC(=O)CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344896641 375647885 /nfs/dbraw/zinc/64/78/85/375647885.db2.gz ZDWFNCPCAFUTKK-FLIBITNWSA-N 1 0 277.324 1.724 20 5 CDBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000355198252 375782223 /nfs/dbraw/zinc/78/22/23/375782223.db2.gz NJPOSSLTHNOIMW-AGLBCWCQSA-N 1 0 275.308 1.428 20 5 CDBDRO CC[N@H+](CCC1CC1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000355030470 375770377 /nfs/dbraw/zinc/77/03/77/375770377.db2.gz DEIFTVAOHFGTMV-UHFFFAOYSA-N 1 0 279.340 1.879 20 5 CDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1COCCO1 ZINC000358230616 375957584 /nfs/dbraw/zinc/95/75/84/375957584.db2.gz YLOMFMLWSXUSJI-OCCSQVGLSA-N 1 0 294.351 1.921 20 5 CDBDRO CCOCCN(C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000357551770 375916075 /nfs/dbraw/zinc/91/60/75/375916075.db2.gz LBXVPEJEUOYRHH-UHFFFAOYSA-N 1 0 295.339 1.810 20 5 CDBDRO C[C@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC[C@@H]1C ZINC000347590065 376562395 /nfs/dbraw/zinc/56/23/95/376562395.db2.gz LXZQBJYONMXODR-UWVGGRQHSA-N 1 0 252.318 1.806 20 5 CDBDRO COCC[NH+]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000127918861 377176568 /nfs/dbraw/zinc/17/65/68/377176568.db2.gz KTQXWMUUOOTDEP-UHFFFAOYSA-N 1 0 293.367 1.667 20 5 CDBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[NH2+]CC1 ZINC000428441121 284625637 /nfs/dbraw/zinc/62/56/37/284625637.db2.gz GUEVZANLOIQJGT-UHFFFAOYSA-N 1 0 289.291 1.777 20 5 CDBDRO COC[C@@H](O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000129582244 378180009 /nfs/dbraw/zinc/18/00/09/378180009.db2.gz CHXSZWCIOBGMRY-UONOGXRCSA-N 1 0 294.351 1.513 20 5 CDBDRO C[C@@H]([NH2+]CCN1C(=O)CCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000173415426 378355180 /nfs/dbraw/zinc/35/51/80/378355180.db2.gz MYSMLNJEUXMIBR-SNVBAGLBSA-N 1 0 291.307 1.394 20 5 CDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(C)(C)C[NH+](C)C ZINC000443535649 250037858 /nfs/dbraw/zinc/03/78/58/250037858.db2.gz UWYKNFBCTOGJEX-VIFPVBQESA-N 1 0 282.344 1.629 20 5 CDBDRO C[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000041031570 379293577 /nfs/dbraw/zinc/29/35/77/379293577.db2.gz HGIPYQLLDIGLRK-UHFFFAOYSA-N 1 0 251.286 1.243 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000267022190 379385640 /nfs/dbraw/zinc/38/56/40/379385640.db2.gz KPLZBNDXOKDLTP-LLVKDONJSA-N 1 0 280.324 1.808 20 5 CDBDRO O=[N+]([O-])c1ccccc1NC[C@H]1CCC[N@H+]1CCCO ZINC000450600923 251362145 /nfs/dbraw/zinc/36/21/45/251362145.db2.gz XDPHADFNFMZHDU-GFCCVEGCSA-N 1 0 279.340 1.854 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000491637263 253093607 /nfs/dbraw/zinc/09/36/07/253093607.db2.gz IHEOUHDHUUQTLD-CFHLNLSMSA-N 1 0 289.335 1.676 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC([NH2+]CCO)CC1 ZINC000270579149 285095194 /nfs/dbraw/zinc/09/51/94/285095194.db2.gz RPDWGWOYYJUHMP-UHFFFAOYSA-N 1 0 283.303 1.285 20 5 CDBDRO CNC(=O)[C@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000492416474 253215107 /nfs/dbraw/zinc/21/51/07/253215107.db2.gz KEJYOWNPLKORFA-JTQLQIEISA-N 1 0 279.340 1.942 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NCCC[N@@H+](C)CCN(C)C)n1 ZINC000288686955 197145486 /nfs/dbraw/zinc/14/54/86/197145486.db2.gz BBPJZCHYMLQDCZ-UHFFFAOYSA-N 1 0 295.387 1.594 20 5 CDBDRO C[NH+](C)CC1(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC1 ZINC000281589617 195298536 /nfs/dbraw/zinc/29/85/36/195298536.db2.gz CEIBXEJHQBMGJV-UHFFFAOYSA-N 1 0 266.301 1.137 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000320645687 390479745 /nfs/dbraw/zinc/47/97/45/390479745.db2.gz FPZGXQBQGVDJCQ-HTQZYQBOSA-N 1 0 269.276 1.590 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000320812444 390533333 /nfs/dbraw/zinc/53/33/33/390533333.db2.gz IKOKCYSNZKIMJF-RKDXNWHRSA-N 1 0 266.301 1.842 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H](F)C2)c1 ZINC000451192310 390604766 /nfs/dbraw/zinc/60/47/66/390604766.db2.gz SLDCTNVCLPCLLT-ZYHUDNBSSA-N 1 0 284.287 1.378 20 5 CDBDRO O=C(NCC[NH+]1CCCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000132818257 390899438 /nfs/dbraw/zinc/89/94/38/390899438.db2.gz RSFPJZADTSPPND-UHFFFAOYSA-N 1 0 295.314 1.950 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000415031282 391247045 /nfs/dbraw/zinc/24/70/45/391247045.db2.gz DMGZKEXLMVNOIU-LBPRGKRZSA-N 1 0 267.304 1.964 20 5 CDBDRO [NH3+]CC[C@@H](NCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000415061776 391253835 /nfs/dbraw/zinc/25/38/35/391253835.db2.gz XGIXTWXJXYYJDQ-SNVBAGLBSA-N 1 0 277.246 1.964 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNc1c([N+](=O)[O-])ncn1C ZINC000227920480 391288567 /nfs/dbraw/zinc/28/85/67/391288567.db2.gz AAVBVQTZXVPEQR-VIFPVBQESA-N 1 0 255.322 1.471 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000212100288 391305329 /nfs/dbraw/zinc/30/53/29/391305329.db2.gz MUTKUCZZJPHTBK-JMEBYUIHSA-N 1 0 275.308 1.428 20 5 CDBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000344601638 391328046 /nfs/dbraw/zinc/32/80/46/391328046.db2.gz FVYMRBFPUNGGMF-UHFFFAOYSA-N 1 0 282.344 1.583 20 5 CDBDRO COc1ccc(NC(=O)NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000415437728 391431682 /nfs/dbraw/zinc/43/16/82/391431682.db2.gz LABODYQXALSWFN-UHFFFAOYSA-N 1 0 282.300 1.462 20 5 CDBDRO C[NH2+]CCCNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000415454113 391459626 /nfs/dbraw/zinc/45/96/26/391459626.db2.gz ZTPWLCYZQSRORV-UHFFFAOYSA-N 1 0 282.300 1.334 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000415495569 391467613 /nfs/dbraw/zinc/46/76/13/391467613.db2.gz FTLYSCYSRMFFKR-MRVPVSSYSA-N 1 0 282.300 1.462 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C[NH3+])C1 ZINC000415770327 391471444 /nfs/dbraw/zinc/47/14/44/391471444.db2.gz YKCAUPSWDCGWKP-SNVBAGLBSA-N 1 0 292.339 1.970 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000089091440 391692740 /nfs/dbraw/zinc/69/27/40/391692740.db2.gz KMHVDCRDACQAFO-GZMMTYOYSA-N 1 0 281.287 1.591 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCOCC(F)F ZINC000190895838 130159154 /nfs/dbraw/zinc/15/91/54/130159154.db2.gz ZWVUNDIOCXWCGJ-UHFFFAOYSA-N 1 0 260.240 1.966 20 5 CDBDRO CC[NH+](CC)[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192471229 130455317 /nfs/dbraw/zinc/45/53/17/130455317.db2.gz LZHHIMKYKIBOJZ-VIFPVBQESA-N 1 0 270.358 1.972 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000261572884 131153148 /nfs/dbraw/zinc/15/31/48/131153148.db2.gz LYGZEVBLVLJHJE-ZETCQYMHSA-N 1 0 255.249 1.072 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261680895 131161460 /nfs/dbraw/zinc/16/14/60/131161460.db2.gz MKFLDASYCFMCJG-BXUZGUMPSA-N 1 0 289.335 1.727 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000262048739 131186734 /nfs/dbraw/zinc/18/67/34/131186734.db2.gz HCHLYZCMGPFMAF-NXEZZACHSA-N 1 0 279.296 1.158 20 5 CDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CC[NH2+]C1 ZINC000262577996 131236083 /nfs/dbraw/zinc/23/60/83/131236083.db2.gz KQLZVXINMJVXKH-NSHDSACASA-N 1 0 293.323 1.089 20 5 CDBDRO Cc1n[nH]c(C(=O)N(C)CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000264089621 131392803 /nfs/dbraw/zinc/39/28/03/131392803.db2.gz FRXCNWYZEKQSIU-UHFFFAOYSA-N 1 0 295.343 1.040 20 5 CDBDRO C[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])C[NH+](C)C ZINC000489013834 392864934 /nfs/dbraw/zinc/86/49/34/392864934.db2.gz MUYQOARDYNSRTP-SECBINFHSA-N 1 0 280.328 1.303 20 5 CDBDRO NC(=O)CC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000421349836 392930638 /nfs/dbraw/zinc/93/06/38/392930638.db2.gz JTADGFLMGBSZOF-UHFFFAOYSA-N 1 0 263.297 1.340 20 5 CDBDRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000421364770 392933661 /nfs/dbraw/zinc/93/36/61/392933661.db2.gz SRUWZZDCNOQAAO-AULYBMBSSA-N 1 0 291.351 1.976 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000269197413 132129371 /nfs/dbraw/zinc/12/93/71/132129371.db2.gz JCQLWBYVLOGLRG-MWLCHTKSSA-N 1 0 292.339 1.295 20 5 CDBDRO COc1ccc(CNC(=O)[C@H]([NH3+])C2CCC2)cc1[N+](=O)[O-] ZINC000423064155 392958471 /nfs/dbraw/zinc/95/84/71/392958471.db2.gz QQTSPWXVRFUQNS-CYBMUJFWSA-N 1 0 293.323 1.347 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000423683866 392967021 /nfs/dbraw/zinc/96/70/21/392967021.db2.gz QPLPZBLAZMYNEP-ZJUUUORDSA-N 1 0 265.313 1.677 20 5 CDBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000430630831 393102391 /nfs/dbraw/zinc/10/23/91/393102391.db2.gz SQAHXKJPFIZPHX-QWRGUYRKSA-N 1 0 292.339 1.263 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1C[NH3+] ZINC000070176423 393103218 /nfs/dbraw/zinc/10/32/18/393103218.db2.gz VJICFSIAXPQESA-DTWKUNHWSA-N 1 0 267.285 1.387 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cn1cncn1 ZINC000449102502 393130139 /nfs/dbraw/zinc/13/01/39/393130139.db2.gz YTPDDXUMLNOSHF-VXGBXAGGSA-N 1 0 289.339 1.796 20 5 CDBDRO COC[C@@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])OC ZINC000449234810 393131356 /nfs/dbraw/zinc/13/13/56/393131356.db2.gz RHJVRBTWFLCFQH-DGCLKSJQSA-N 1 0 282.340 1.777 20 5 CDBDRO C[C@H]([NH2+]C1CC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000449158389 393132237 /nfs/dbraw/zinc/13/22/37/393132237.db2.gz YOYRDFLFWJQENM-JTQLQIEISA-N 1 0 289.335 1.620 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)NCCF ZINC000449305453 393133186 /nfs/dbraw/zinc/13/31/86/393133186.db2.gz GNBKEWZDFLITAO-QWRGUYRKSA-N 1 0 297.330 1.590 20 5 CDBDRO C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000449592116 393135562 /nfs/dbraw/zinc/13/55/62/393135562.db2.gz NMFMFXPTGUFAEE-VHSXEESVSA-N 1 0 280.328 1.249 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000449589021 393135735 /nfs/dbraw/zinc/13/57/35/393135735.db2.gz JMWRJWJOXJTBHS-UTLUCORTSA-N 1 0 297.380 1.927 20 5 CDBDRO C[C@@]1(CNc2ccc([N+](=O)[O-])nc2)CCC[NH2+]C1 ZINC000129377260 139815119 /nfs/dbraw/zinc/81/51/19/139815119.db2.gz PLGHAZYEACRJER-GFCCVEGCSA-N 1 0 250.302 1.791 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1CCC[NH2+]1 ZINC000149413358 139901121 /nfs/dbraw/zinc/90/11/21/139901121.db2.gz WKAPFBGMLMUJOB-QMMMGPOBSA-N 1 0 256.693 1.807 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCO[C@H](C[NH3+])C1 ZINC000165075427 139923767 /nfs/dbraw/zinc/92/37/67/139923767.db2.gz FNDGSKQOBKXONE-GHMZBOCLSA-N 1 0 265.313 1.315 20 5 CDBDRO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000195527246 140159981 /nfs/dbraw/zinc/15/99/81/140159981.db2.gz QFFBHRPUMPBVRH-UHFFFAOYSA-N 1 0 265.313 1.924 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000212777958 140161033 /nfs/dbraw/zinc/16/10/33/140161033.db2.gz ZCXPETVNFJGSOT-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000230071325 140206858 /nfs/dbraw/zinc/20/68/58/140206858.db2.gz UNGOUAMXTADJPD-KWCYVHTRSA-N 1 0 289.335 1.794 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000236270168 140240147 /nfs/dbraw/zinc/24/01/47/140240147.db2.gz HIIHXTKSYXGQNA-SNVBAGLBSA-N 1 0 283.353 1.904 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000261573827 140352674 /nfs/dbraw/zinc/35/26/74/140352674.db2.gz MMAHBDKNXQJGMJ-PRHODGIISA-N 1 0 253.277 1.655 20 5 CDBDRO COC[C@@]1(CNc2ncc([N+](=O)[O-])s2)CCC[NH2+]1 ZINC000261587694 140356535 /nfs/dbraw/zinc/35/65/35/140356535.db2.gz VCTWLTDHXHPLMU-JTQLQIEISA-N 1 0 272.330 1.232 20 5 CDBDRO O=[N+]([O-])c1cc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)cs1 ZINC000261586896 140356562 /nfs/dbraw/zinc/35/65/62/140356562.db2.gz URLWJEXSFNKWGJ-QWRGUYRKSA-N 1 0 267.354 1.840 20 5 CDBDRO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261599417 140361727 /nfs/dbraw/zinc/36/17/27/140361727.db2.gz PPFLJGOIBGPVEB-KCJUWKMLSA-N 1 0 264.285 1.548 20 5 CDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000261674651 140373074 /nfs/dbraw/zinc/37/30/74/140373074.db2.gz GGGVSLASLBEWIG-ONGXEEELSA-N 1 0 299.352 1.013 20 5 CDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261761873 140385222 /nfs/dbraw/zinc/38/52/22/140385222.db2.gz UYQWRKXPZRUKJK-TVQRCGJNSA-N 1 0 293.298 1.558 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000361067511 397910695 /nfs/dbraw/zinc/91/06/95/397910695.db2.gz NSZXJZPRYKVGLL-PWSUYJOCSA-N 1 0 262.313 1.520 20 5 CDBDRO CCC[C@H]([NH3+])C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000286787374 397983344 /nfs/dbraw/zinc/98/33/44/397983344.db2.gz PJDBJXBHUXPHMP-VIFPVBQESA-N 1 0 277.284 1.537 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000262851375 149122111 /nfs/dbraw/zinc/12/21/11/149122111.db2.gz KBIOCAQRZKJRKK-ZJUUUORDSA-N 1 0 293.323 1.474 20 5 CDBDRO COCC[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336842126 151731179 /nfs/dbraw/zinc/73/11/79/151731179.db2.gz TXOPXNOOZRLNCA-CYBMUJFWSA-N 1 0 286.303 1.611 20 5 CDBDRO Cc1c([C@H](C)[NH2+][C@H](C)CC(N)=O)cccc1[N+](=O)[O-] ZINC000343096195 152029206 /nfs/dbraw/zinc/02/92/06/152029206.db2.gz MDINSJGVDDXVMD-SCZZXKLOSA-N 1 0 265.313 1.818 20 5 CDBDRO C[N@H+]1CC=C(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000343246222 152081786 /nfs/dbraw/zinc/08/17/86/152081786.db2.gz DMJZZRUKUWRNGW-UHFFFAOYSA-N 1 0 293.298 1.726 20 5 CDBDRO CCc1nn(C)c(N[C@@H]2CCC[N@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000343604881 152240922 /nfs/dbraw/zinc/24/09/22/152240922.db2.gz NYINBAOQLJUXJO-GXSJLCMTSA-N 1 0 281.360 1.785 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346147418 153070823 /nfs/dbraw/zinc/07/08/23/153070823.db2.gz WLSDORJPJOMFKC-QMMMGPOBSA-N 1 0 285.731 1.928 20 5 CDBDRO Cn1c(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000346313531 153136340 /nfs/dbraw/zinc/13/63/40/153136340.db2.gz GIFMOQYMXRRURX-CQSZACIVSA-N 1 0 292.339 1.101 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CC[NH3+])c1 ZINC000349987176 154298533 /nfs/dbraw/zinc/29/85/33/154298533.db2.gz KHLUNUWTVICNDS-MRVPVSSYSA-N 1 0 267.285 1.071 20 5 CDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000354004627 156218470 /nfs/dbraw/zinc/21/84/70/156218470.db2.gz BZWXXLYYUZVJOP-NSHDSACASA-N 1 0 277.324 1.761 20 5 CDBDRO COC[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000358323736 157917943 /nfs/dbraw/zinc/91/79/43/157917943.db2.gz BMLNDGKXVWVCKV-GHMZBOCLSA-N 1 0 295.339 1.936 20 5 CDBDRO CC[NH2+][C@@H](C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000358912653 158069089 /nfs/dbraw/zinc/06/90/89/158069089.db2.gz FIJHQPWWMDFTFX-QMMMGPOBSA-N 1 0 269.276 1.462 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359288592 158200334 /nfs/dbraw/zinc/20/03/34/158200334.db2.gz ZSNWOWMFPVXEOR-BETUJISGSA-N 1 0 291.351 1.645 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c1 ZINC000374543210 160294870 /nfs/dbraw/zinc/29/48/70/160294870.db2.gz ZVESQRSCZIKSNW-GFCCVEGCSA-N 1 0 272.308 1.965 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[NH2+]CC1 ZINC000021040417 171293362 /nfs/dbraw/zinc/29/33/62/171293362.db2.gz UGVGAKYQPSMNNQ-UHFFFAOYSA-N 1 0 264.285 1.422 20 5 CDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[NH+]1CCC(C)CC1 ZINC000285123199 196200816 /nfs/dbraw/zinc/20/08/16/196200816.db2.gz MVDMWYQRQLJSJC-JTQLQIEISA-N 1 0 295.343 1.168 20 5 CDBDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285268104 196237551 /nfs/dbraw/zinc/23/75/51/196237551.db2.gz QRNMHKJTWCKDHR-AQUOVQTQSA-N 1 0 279.340 1.987 20 5 CDBDRO CO[C@@H](C)C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000285550158 196323036 /nfs/dbraw/zinc/32/30/36/196323036.db2.gz GJKMUONQOMTPNW-AAEUAGOBSA-N 1 0 298.339 1.301 20 5 CDBDRO COc1ccc(CNC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000037267394 173077356 /nfs/dbraw/zinc/07/73/56/173077356.db2.gz NTOHWBZLVGGWOA-UHFFFAOYSA-N 1 0 279.340 1.787 20 5 CDBDRO C[NH+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000037286025 173092681 /nfs/dbraw/zinc/09/26/81/173092681.db2.gz SBBNRRSEMBBAQR-UHFFFAOYSA-N 1 0 269.276 1.415 20 5 CDBDRO CC[NH+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000039173558 174165022 /nfs/dbraw/zinc/16/50/22/174165022.db2.gz NEVLJHFNQXCWAH-UHFFFAOYSA-N 1 0 281.312 1.884 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000040454467 174267239 /nfs/dbraw/zinc/26/72/39/174267239.db2.gz OHAIEPXEAVSOBX-SECBINFHSA-N 1 0 251.290 1.281 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000043571109 175068444 /nfs/dbraw/zinc/06/84/44/175068444.db2.gz FTRRMXIWSBZSDQ-UHFFFAOYSA-N 1 0 269.276 1.463 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000044685251 175231018 /nfs/dbraw/zinc/23/10/18/175231018.db2.gz FVAWSVFBTVLLOU-LBPRGKRZSA-N 1 0 261.325 1.921 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000071143292 176040808 /nfs/dbraw/zinc/04/08/08/176040808.db2.gz QAOGSJPJCQUILZ-LLVKDONJSA-N 1 0 277.324 1.585 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000071143628 176041105 /nfs/dbraw/zinc/04/11/05/176041105.db2.gz OOTCVKDQFPSWAU-SECBINFHSA-N 1 0 297.742 1.930 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000071397139 176150807 /nfs/dbraw/zinc/15/08/07/176150807.db2.gz GSPYEXKZOIKSDQ-VIFPVBQESA-N 1 0 283.715 1.730 20 5 CDBDRO CC1(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000313499584 260299501 /nfs/dbraw/zinc/29/95/01/260299501.db2.gz NLMIQBOIYLHQQH-SREVYHEPSA-N 1 0 289.335 1.866 20 5 CDBDRO CNc1ccc(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000517932939 260320465 /nfs/dbraw/zinc/32/04/65/260320465.db2.gz XWAWUUZDLSYBHB-VHSXEESVSA-N 1 0 292.339 1.459 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000518188315 260353471 /nfs/dbraw/zinc/35/34/71/260353471.db2.gz RFQYYCWNFTUNRE-ZDUSSCGKSA-N 1 0 278.312 1.139 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NCC2([NH+](C)C)CC2)n1 ZINC000397911563 270352521 /nfs/dbraw/zinc/35/25/21/270352521.db2.gz BGOJSMBQOHSQNU-UHFFFAOYSA-N 1 0 250.302 1.804 20 5 CDBDRO O=C(NCCC[NH2+]C1CC1)NCc1cccc([N+](=O)[O-])c1 ZINC000517098329 270510642 /nfs/dbraw/zinc/51/06/42/270510642.db2.gz RVIKYDBLAGBKRB-UHFFFAOYSA-N 1 0 292.339 1.536 20 5 CDBDRO C[NH+](C)C(C)(C)CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420577307 273789850 /nfs/dbraw/zinc/78/98/50/273789850.db2.gz AGOUISBAZGBYHE-UHFFFAOYSA-N 1 0 280.328 1.446 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000423523724 273961097 /nfs/dbraw/zinc/96/10/97/273961097.db2.gz SKRMGSVMMISLDB-UHFFFAOYSA-N 1 0 279.340 1.811 20 5 CDBDRO C[NH2+][C@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000133100664 273974958 /nfs/dbraw/zinc/97/49/58/273974958.db2.gz XJHVOHZIENGDLF-JTQLQIEISA-N 1 0 272.308 1.941 20 5 CDBDRO COC[C@](C)([NH3+])CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000265078018 274052447 /nfs/dbraw/zinc/05/24/47/274052447.db2.gz ZFRPNNJMHOUQCY-LLVKDONJSA-N 1 0 284.272 1.279 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](C)C[NH3+] ZINC000415505441 274099819 /nfs/dbraw/zinc/09/98/19/274099819.db2.gz QGCZDWZQGLCJOK-MRVPVSSYSA-N 1 0 282.300 1.320 20 5 CDBDRO Cc1nc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000261610035 274842729 /nfs/dbraw/zinc/84/27/29/274842729.db2.gz SDXOHHSNFLPIFH-WDEREUQCSA-N 1 0 262.313 1.344 20 5 CDBDRO CC[N@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000273233433 276074091 /nfs/dbraw/zinc/07/40/91/276074091.db2.gz XKNNWORMNUTRLW-JTQLQIEISA-N 1 0 265.317 1.163 20 5 CDBDRO CC[N@@H+]1CCCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420604823 276165043 /nfs/dbraw/zinc/16/50/43/276165043.db2.gz SOHOGGOXTKGELN-UHFFFAOYSA-N 1 0 292.339 1.226 20 5 CDBDRO C[N@@H+]1CC[C@]2(CCN(c3ncccc3[N+](=O)[O-])C2)C1 ZINC000292192388 277186459 /nfs/dbraw/zinc/18/64/59/277186459.db2.gz GENSOUIFJJTGEH-ZDUSSCGKSA-N 1 0 262.313 1.522 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000367380870 277280457 /nfs/dbraw/zinc/28/04/57/277280457.db2.gz DHBJGFLAXSXEOW-AAEUAGOBSA-N 1 0 295.314 1.675 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000237257699 277285177 /nfs/dbraw/zinc/28/51/77/277285177.db2.gz JRKCVPMKMAPQIY-SECBINFHSA-N 1 0 278.312 1.001 20 5 CDBDRO CS[C@H]1CN(c2ccc(N)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000286622614 277530235 /nfs/dbraw/zinc/53/02/35/277530235.db2.gz VZCGWOINHDMVON-STQMWFEESA-N 1 0 296.396 1.659 20 5 CDBDRO CO[C@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000277068151 277737819 /nfs/dbraw/zinc/73/78/19/277737819.db2.gz WUVRZAHQUGBPGM-OLZOCXBDSA-N 1 0 295.339 1.304 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000418475030 278180829 /nfs/dbraw/zinc/18/08/29/278180829.db2.gz QESKACINTNKLCW-LLVKDONJSA-N 1 0 294.355 1.374 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415377720 278316092 /nfs/dbraw/zinc/31/60/92/278316092.db2.gz BKEYRZXJALVQQI-MWLCHTKSSA-N 1 0 293.327 1.145 20 5 CDBDRO CC1(C)CN(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000171767068 278332877 /nfs/dbraw/zinc/33/28/77/278332877.db2.gz ZUZICTUXLLWGCA-UHFFFAOYSA-N 1 0 293.367 1.795 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261622698 278932292 /nfs/dbraw/zinc/93/22/92/278932292.db2.gz GREVGUIDNDPNBY-ZDUSSCGKSA-N 1 0 290.367 1.387 20 5 CDBDRO C[C@H](NC(=O)NCC(C)(C)[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000418236314 279437435 /nfs/dbraw/zinc/43/74/35/279437435.db2.gz UTCQMZROUDZXEN-VIFPVBQESA-N 1 0 280.328 1.692 20 5 CDBDRO [NH3+]CCCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000237906998 280193017 /nfs/dbraw/zinc/19/30/17/280193017.db2.gz UPVGBIKPNIMUGH-UHFFFAOYSA-N 1 0 263.297 1.218 20 5 CDBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)O ZINC000395296326 280689450 /nfs/dbraw/zinc/68/94/50/280689450.db2.gz HTIYGBFQKZCTOO-MWLCHTKSSA-N 1 0 268.313 1.852 20 5 CDBDRO C[N@@H+]1CC[C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000522146963 281089909 /nfs/dbraw/zinc/08/99/09/281089909.db2.gz IAGOVCOTBWZWPI-LLVKDONJSA-N 1 0 292.339 1.075 20 5 CDBDRO COC[C@@](C)(O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000531966426 281875653 /nfs/dbraw/zinc/87/56/53/281875653.db2.gz BNXGAROQVUJXHM-RISCZKNCSA-N 1 0 282.340 1.951 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000343782648 289521082 /nfs/dbraw/zinc/52/10/82/289521082.db2.gz CAXNAEDVZJKSRK-SECBINFHSA-N 1 0 264.329 1.925 20 5 CDBDRO COc1cc(C(=O)N[C@H](C)C[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000320130840 292929635 /nfs/dbraw/zinc/92/96/35/292929635.db2.gz QXEXBWGSZUKJDZ-DTWKUNHWSA-N 1 0 281.312 1.459 20 5 CDBDRO CC[C@@H](COC)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000562995069 293238052 /nfs/dbraw/zinc/23/80/52/293238052.db2.gz HGHGEVACHUZDGN-AAEUAGOBSA-N 1 0 298.339 1.349 20 5 CDBDRO C[C@@H](CC(N)=O)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565491006 293623130 /nfs/dbraw/zinc/62/31/30/293623130.db2.gz JSZXFFRWEITTTA-KWQFWETISA-N 1 0 263.297 1.436 20 5 CDBDRO CC1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000571754511 294498462 /nfs/dbraw/zinc/49/84/62/294498462.db2.gz NWIAAHLPUWYUSW-GFCCVEGCSA-N 1 0 280.324 1.724 20 5 CDBDRO CC[NH+](CC)CCCn1cc([N+](=O)[O-])cc(F)c1=O ZINC000572959917 294724174 /nfs/dbraw/zinc/72/41/74/294724174.db2.gz INQQCSMZBMXWIQ-UHFFFAOYSA-N 1 0 271.292 1.628 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[C@@H](F)C1 ZINC000567104922 316737753 /nfs/dbraw/zinc/73/77/53/316737753.db2.gz FVZQYCYUZFYLQW-GRYCIOLGSA-N 1 0 298.314 1.815 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569825882 316858255 /nfs/dbraw/zinc/85/82/55/316858255.db2.gz XLZMBIDYTQWOTB-SGMGOOAPSA-N 1 0 278.308 1.586 20 5 CDBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCO1 ZINC000182387191 323278497 /nfs/dbraw/zinc/27/84/97/323278497.db2.gz NLNVFTCEURETEP-QWHCGFSZSA-N 1 0 295.339 1.304 20 5 CDBDRO CNC(=O)CCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000579968689 324333152 /nfs/dbraw/zinc/33/31/52/324333152.db2.gz PWHCQRKQIOZXAE-UHFFFAOYSA-N 1 0 277.324 1.479 20 5 CDBDRO COc1ccc(NC(=O)N(C)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000580169759 324386689 /nfs/dbraw/zinc/38/66/89/324386689.db2.gz CCQYGFJEDIRUJF-SNVBAGLBSA-N 1 0 294.311 1.429 20 5 CDBDRO CC1CC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000580947331 324605487 /nfs/dbraw/zinc/60/54/87/324605487.db2.gz QUKKUDAQPGEADW-GCZXYKMCSA-N 1 0 280.324 1.723 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nc1 ZINC000581479286 324756872 /nfs/dbraw/zinc/75/68/72/324756872.db2.gz PAWSQYJKCCVNNH-MNOVXSKESA-N 1 0 277.328 1.211 20 5 CDBDRO CN1CCO[C@H](COc2cc(F)cc(F)c2[N+](=O)[O-])C1 ZINC001228612640 1160466010 /nfs/dbraw/zinc/46/60/10/1160466010.db2.gz KKXXKJNLWPEJDE-VIFPVBQESA-N 1 0 288.250 1.582 20 5 CDBDRO O=[N+]([O-])c1cc(NCC[C@H]2CCC[NH2+]2)cn2ccnc12 ZINC001169564771 1162012574 /nfs/dbraw/zinc/01/25/74/1162012574.db2.gz SJLWRDVOCVXTRG-SNVBAGLBSA-N 1 0 275.312 1.797 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](C)[NH3+] ZINC000310863999 1186676711 /nfs/dbraw/zinc/67/67/11/1186676711.db2.gz QZSQBDYNSWQNDU-QMMMGPOBSA-N 1 0 251.286 1.833 20 5 CDBDRO CC[NH2+]CCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000054263249 519922804 /nfs/dbraw/zinc/92/28/04/519922804.db2.gz ZFUUXKMUIKRMQQ-UHFFFAOYSA-N 1 0 251.286 1.243 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000262439218 520174402 /nfs/dbraw/zinc/17/44/02/520174402.db2.gz HEDBKGDXWTYJPK-SSDOTTSWSA-N 1 0 257.315 1.384 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)C1 ZINC000227860155 522056694 /nfs/dbraw/zinc/05/66/94/522056694.db2.gz GHQYDLCXVLQZJY-VIFPVBQESA-N 1 0 283.303 1.788 20 5 CDBDRO COc1cc(C(=O)N2CCC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000156686940 522076648 /nfs/dbraw/zinc/07/66/48/522076648.db2.gz BIAPGZJIORPEQW-SNVBAGLBSA-N 1 0 293.323 1.414 20 5 CDBDRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000049948312 522206578 /nfs/dbraw/zinc/20/65/78/522206578.db2.gz YGYWLLCGKURVPT-MNOVXSKESA-N 1 0 279.340 1.988 20 5 CDBDRO C[C@H](C[N@H+](C)CCn1cc([N+](=O)[O-])cn1)c1nccs1 ZINC000183962617 524298022 /nfs/dbraw/zinc/29/80/22/524298022.db2.gz MVXZLHJGVLSWEF-SNVBAGLBSA-N 1 0 295.368 1.983 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[NH2+]2)c1 ZINC000155921251 525450784 /nfs/dbraw/zinc/45/07/84/525450784.db2.gz YMCTXPTWQMWPTK-VIFPVBQESA-N 1 0 251.286 1.767 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163544131 526071867 /nfs/dbraw/zinc/07/18/67/526071867.db2.gz ZVOQCMNKKHRHBW-PWSUYJOCSA-N 1 0 291.351 1.960 20 5 CDBDRO Cc1nc(N[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000161536711 527002175 /nfs/dbraw/zinc/00/21/75/527002175.db2.gz OPTMPXFSPMIZRQ-SNVBAGLBSA-N 1 0 262.313 1.947 20 5 CDBDRO Cc1nn(C)c(NC[C@H]([NH3+])c2ccccc2)c1[N+](=O)[O-] ZINC000062838595 527678811 /nfs/dbraw/zinc/67/88/11/527678811.db2.gz RFYAFUBNJRAJBR-NSHDSACASA-N 1 0 275.312 1.749 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000314974892 535021145 /nfs/dbraw/zinc/02/11/45/535021145.db2.gz PZFNKNNXABVUKQ-VIFPVBQESA-N 1 0 295.343 1.031 20 5 CDBDRO CC[NH2+]CCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000414708655 535473767 /nfs/dbraw/zinc/47/37/67/535473767.db2.gz QKJHQISZKISOKJ-UHFFFAOYSA-N 1 0 266.301 1.634 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC(C)(C)C[NH3+] ZINC000417176477 536953090 /nfs/dbraw/zinc/95/30/90/536953090.db2.gz CBDNKPMABQAGCO-UHFFFAOYSA-N 1 0 296.327 1.140 20 5 CDBDRO CN(CC1CC[NH2+]CC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000094022102 1174458085 /nfs/dbraw/zinc/45/80/85/1174458085.db2.gz MJMGOMVUXONIND-UHFFFAOYSA-N 1 0 267.285 1.259 20 5 CDBDRO C[C@@H]1[C@H](C)N(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000771463808 575581281 /nfs/dbraw/zinc/58/12/81/575581281.db2.gz ZKSZMMDTSCRQED-XUJVJEKNSA-N 1 0 293.367 1.653 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](CO)C1CC1 ZINC000771803316 575614089 /nfs/dbraw/zinc/61/40/89/575614089.db2.gz BJYJKNVXDRGDBF-CYBMUJFWSA-N 1 0 293.323 1.202 20 5 CDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000773197327 575790107 /nfs/dbraw/zinc/79/01/07/575790107.db2.gz IKGDFELCNBPUCN-JTQLQIEISA-N 1 0 292.339 1.391 20 5 CDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000773197328 575790309 /nfs/dbraw/zinc/79/03/09/575790309.db2.gz IKGDFELCNBPUCN-SNVBAGLBSA-N 1 0 292.339 1.391 20 5 CDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000742238025 576591134 /nfs/dbraw/zinc/59/11/34/576591134.db2.gz BFDYPZYKUIKBEN-LLVKDONJSA-N 1 0 277.324 1.809 20 5 CDBDRO C[NH+](C)C[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000749391944 576946451 /nfs/dbraw/zinc/94/64/51/576946451.db2.gz LBJYQILPDGAYAF-NSHDSACASA-N 1 0 264.329 1.768 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccccn2)c1 ZINC000749645121 576956357 /nfs/dbraw/zinc/95/63/57/576956357.db2.gz GYKMPXZJUSVIDW-CQSZACIVSA-N 1 0 273.292 1.813 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1COC[C@@H]1C ZINC000932493460 617316241 /nfs/dbraw/zinc/31/62/41/617316241.db2.gz GHZUWFOAAXQQCA-GXFFZTMASA-N 1 0 293.323 1.466 20 5 CDBDRO CCn1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(C)n1 ZINC000893136658 617403869 /nfs/dbraw/zinc/40/38/69/617403869.db2.gz ZLADISGZJABHJM-UHFFFAOYSA-N 1 0 278.316 1.106 20 5 CDBDRO CC(C)=CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000981138008 614291367 /nfs/dbraw/zinc/29/13/67/614291367.db2.gz KRGSPPTXBRZNQG-CHWSQXEVSA-N 1 0 281.356 1.152 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H]2CO)c1 ZINC000934024795 617846082 /nfs/dbraw/zinc/84/60/82/617846082.db2.gz AHPKYNFJRYHPLD-NSHDSACASA-N 1 0 252.270 1.040 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]1CO ZINC000934021502 617860605 /nfs/dbraw/zinc/86/06/05/617860605.db2.gz OHYWEGNWCNSOOG-LBPRGKRZSA-N 1 0 293.323 1.298 20 5 CDBDRO Cc1cc(C(=O)N2CC[NH2+]C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000148057528 617925635 /nfs/dbraw/zinc/92/56/35/617925635.db2.gz FNWGRVHBBNSKPV-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO [NH3+]C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCO1 ZINC000841101591 618683115 /nfs/dbraw/zinc/68/31/15/618683115.db2.gz ZDNVACJWDCJJTJ-NSHDSACASA-N 1 0 299.758 1.798 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCSC2)cc1 ZINC000223282753 619297160 /nfs/dbraw/zinc/29/71/60/619297160.db2.gz WPAJEQFRQGIRPD-ZYHUDNBSSA-N 1 0 268.338 1.723 20 5 CDBDRO C[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H]1C[N@H+](C)CCN1C ZINC000895247321 619494851 /nfs/dbraw/zinc/49/48/51/619494851.db2.gz IMWGPVJESGJHCW-JQWIXIFHSA-N 1 0 279.344 1.036 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CC[NH2+]C2(CCCCC2)C1 ZINC000895252692 619496425 /nfs/dbraw/zinc/49/64/25/619496425.db2.gz DROOTQUYKCNKJV-UHFFFAOYSA-N 1 0 279.344 1.441 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCN1CC[C@H](O)C1 ZINC000895673136 619798868 /nfs/dbraw/zinc/79/88/68/619798868.db2.gz HEUMXUUDFMBHGU-LBPRGKRZSA-N 1 0 299.758 1.404 20 5 CDBDRO CC1(C)CC[N@H+](CCNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000897248612 620442267 /nfs/dbraw/zinc/44/22/67/620442267.db2.gz UBSVICFTJSSREV-UHFFFAOYSA-N 1 0 280.328 1.839 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2C[C@H](CO)C2)cc1 ZINC000897357583 620574205 /nfs/dbraw/zinc/57/42/05/620574205.db2.gz KYAWFKOMQIIGJB-HAQNSBGRSA-N 1 0 250.298 1.498 20 5 CDBDRO CCO[C@H]1CCN(Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000902528839 624931950 /nfs/dbraw/zinc/93/19/50/624931950.db2.gz RCUNMHMIXINNQR-NSHDSACASA-N 1 0 268.317 1.476 20 5 CDBDRO O=[N+]([O-])c1ccccc1N1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903427081 625988900 /nfs/dbraw/zinc/98/89/00/625988900.db2.gz RKNPIPZTGHUITF-CYBMUJFWSA-N 1 0 290.367 1.469 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000905046851 626384634 /nfs/dbraw/zinc/38/46/34/626384634.db2.gz CLQUESKCEBAFJS-UHFFFAOYSA-N 1 0 292.261 1.769 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000905117044 626628456 /nfs/dbraw/zinc/62/84/56/626628456.db2.gz LTWWOQIUDPTPSK-CQSZACIVSA-N 1 0 263.341 1.517 20 5 CDBDRO COc1ccc(COCC[NH2+]CC[N+](=O)[O-])cc1 ZINC000905193938 626670844 /nfs/dbraw/zinc/67/08/44/626670844.db2.gz GZUOADFZDAQBKO-UHFFFAOYSA-N 1 0 254.286 1.078 20 5 CDBDRO CCN(CC[NH2+]CC[N+](=O)[O-])CCC(F)(F)F ZINC000905232237 626686237 /nfs/dbraw/zinc/68/62/37/626686237.db2.gz LWMAXBFUOHDQMM-UHFFFAOYSA-N 1 0 257.256 1.127 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000905202977 626690143 /nfs/dbraw/zinc/69/01/43/626690143.db2.gz UIUKQLUWMYBQPA-LLVKDONJSA-N 1 0 269.732 1.785 20 5 CDBDRO CC[NH2+]CCCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911687928 629417029 /nfs/dbraw/zinc/41/70/29/629417029.db2.gz KVQJHYJXYJAVDN-KBPBESRZSA-N 1 0 291.351 1.814 20 5 CDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1Cn1cc([N+](=O)[O-])cn1 ZINC000153645986 631765251 /nfs/dbraw/zinc/76/52/51/631765251.db2.gz QUWQTNLSCHGTGO-LBPRGKRZSA-N 1 0 267.333 1.021 20 5 CDBDRO Cc1cnc(OC[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000917148805 632165246 /nfs/dbraw/zinc/16/52/46/632165246.db2.gz FWNMWCCHPVGJHB-JTQLQIEISA-N 1 0 251.286 1.771 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC001170294793 1162327787 /nfs/dbraw/zinc/32/77/87/1162327787.db2.gz RUVRYULYDNLGPF-NXEZZACHSA-N 1 0 268.313 1.505 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]CC2CN(C)C2)c([N+](=O)[O-])c1 ZINC001170314010 1162335083 /nfs/dbraw/zinc/33/50/83/1162335083.db2.gz TZVMNZYGJGZUIF-NSHDSACASA-N 1 0 293.367 1.686 20 5 CDBDRO COc1ccc(C[C@H](C)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001170328308 1162338571 /nfs/dbraw/zinc/33/85/71/1162338571.db2.gz JNCAJIZBYUBLSD-LBPRGKRZSA-N 1 0 293.367 1.782 20 5 CDBDRO COc1nc(NCC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC001157941759 1162594788 /nfs/dbraw/zinc/59/47/88/1162594788.db2.gz CETXCTAJHIAILT-UHFFFAOYSA-N 1 0 282.344 1.998 20 5 CDBDRO Cc1ccnc(N(CC[NH3+])c2cccnc2)c1[N+](=O)[O-] ZINC001157999904 1162669958 /nfs/dbraw/zinc/66/99/58/1162669958.db2.gz DOKBWDJRKXJHRZ-UHFFFAOYSA-N 1 0 273.296 1.790 20 5 CDBDRO C[C@@H](Nc1ccc(N(C)C)cc1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001170576255 1162992008 /nfs/dbraw/zinc/99/20/08/1162992008.db2.gz ZOHGRWGAGQLIRD-YGRLFVJLSA-N 1 0 294.355 1.450 20 5 CDBDRO Cn1cc(-n2nc(C[NH3+])c3ccccc32)cc([N+](=O)[O-])c1=O ZINC001167697469 1159485813 /nfs/dbraw/zinc/48/58/13/1159485813.db2.gz AQIJMFBWWDTDFV-UHFFFAOYSA-N 1 0 299.290 1.091 20 5 CDBDRO Cc1c(-n2cc(CC[NH3+])cn2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001168950442 1161994205 /nfs/dbraw/zinc/99/42/05/1161994205.db2.gz VXRAVKANKPKVOV-UHFFFAOYSA-N 1 0 291.267 1.498 20 5 CDBDRO COc1ccc(NC(=O)N[C@H]2C[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001579228620 1172120920 /nfs/dbraw/zinc/12/09/20/1172120920.db2.gz XCNDGXQIVFHNLH-KYZUINATSA-N 1 0 294.311 1.462 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[NH2+]CC12CC2 ZINC001579734555 1172250177 /nfs/dbraw/zinc/25/01/77/1172250177.db2.gz UXIJMZXGKMZGSI-LBPRGKRZSA-N 1 0 290.323 1.777 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001579825213 1172274920 /nfs/dbraw/zinc/27/49/20/1172274920.db2.gz UTWDIRXIPMQVPZ-NXEZZACHSA-N 1 0 293.327 1.112 20 5 CDBDRO O=[N+]([O-])c1cc([N+](=O)[O-])n(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC001580875005 1172556698 /nfs/dbraw/zinc/55/66/98/1172556698.db2.gz TVSGHMABYXLXPW-PBINXNQUSA-N 1 0 295.299 1.620 20 5 CDBDRO O=[N+]([O-])c1ccc(CCN[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC001580875045 1172556908 /nfs/dbraw/zinc/55/69/08/1172556908.db2.gz VUJFGSKQVBXWBM-GFCCVEGCSA-N 1 0 285.294 1.724 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2ncn(C[C@H]3CCC[NH2+]C3)n2)cc1 ZINC000122451866 1175240051 /nfs/dbraw/zinc/24/00/51/1175240051.db2.gz BVQJGKCYTRKZTM-NSHDSACASA-N 1 0 287.323 1.853 20 5 CDBDRO Cc1ccnc(NC2(C)CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000229636177 1178131257 /nfs/dbraw/zinc/13/12/57/1178131257.db2.gz ZMFWKBSACOHGKE-UHFFFAOYSA-N 1 0 250.302 1.852 20 5 CDBDRO CC(C)([NH3+])CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000405967918 1186581917 /nfs/dbraw/zinc/58/19/17/1186581917.db2.gz GJHXJGNWYGFTMY-UHFFFAOYSA-N 1 0 287.341 1.001 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601110709 721887826 /nfs/dbraw/zinc/88/78/26/721887826.db2.gz LCHPYIWQWPVUOQ-JTQLQIEISA-N 1 0 268.292 1.659 20 5 CDBDRO C[NH+]1CCC(ONC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000868091086 1164909059 /nfs/dbraw/zinc/90/90/59/1164909059.db2.gz VBNAUCCBKLBSJK-UHFFFAOYSA-N 1 0 297.286 1.490 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873129631 1165514638 /nfs/dbraw/zinc/51/46/38/1165514638.db2.gz NWLRSGDYABQJRC-JTQLQIEISA-N 1 0 279.340 1.826 20 5 CDBDRO COC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C1CCOCC1 ZINC000886273510 773894148 /nfs/dbraw/zinc/89/41/48/773894148.db2.gz AFZUUKKBKOZRNG-ZDUSSCGKSA-N 1 0 295.339 1.521 20 5 CDBDRO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866381038 773915600 /nfs/dbraw/zinc/91/56/00/773915600.db2.gz CSQBHANSFOZMLL-GAJTVXKRSA-N 1 0 298.314 1.668 20 5 CDBDRO CC(C)([NH3+])c1noc(COc2cc(F)ccc2[N+](=O)[O-])n1 ZINC000043402663 773925121 /nfs/dbraw/zinc/92/51/21/773925121.db2.gz HQSNNEORQBVRQI-UHFFFAOYSA-N 1 0 296.258 1.890 20 5 CDBDRO O=[N+]([O-])c1c(F)nccc1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000882422296 773971803 /nfs/dbraw/zinc/97/18/03/773971803.db2.gz MPGDFZBJEATBAE-AOOOYVTPSA-N 1 0 296.302 1.404 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](CF)C2)c1 ZINC000880296748 774003214 /nfs/dbraw/zinc/00/32/14/774003214.db2.gz FYXKSMBIGBXXRW-GXFFZTMASA-N 1 0 268.288 1.920 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700601720 774032446 /nfs/dbraw/zinc/03/24/46/774032446.db2.gz DSSKQIXMYFEIES-SSDOTTSWSA-N 1 0 271.704 1.667 20 5 CDBDRO Cn1c(C(=O)OCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000844261701 774089185 /nfs/dbraw/zinc/08/91/85/774089185.db2.gz VSXYZWWETKOWTJ-UHFFFAOYSA-N 1 0 255.274 1.042 20 5 CDBDRO O=C(NC1CC2(C1)CC([NH2+]CC1CC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000963789837 774133239 /nfs/dbraw/zinc/13/32/39/774133239.db2.gz CQGBMRXYJSJVPE-UBDGZGRMSA-N 1 0 293.367 1.079 20 5 CDBDRO CC[C@@H](NC(=O)[C@@H]([NH3+])COC)c1cccc([N+](=O)[O-])c1 ZINC000262329310 774232531 /nfs/dbraw/zinc/23/25/31/774232531.db2.gz RKRGQTSDDAESLW-NWDGAFQWSA-N 1 0 281.312 1.136 20 5 CDBDRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC[N+](=O)[O-] ZINC000791053209 774398008 /nfs/dbraw/zinc/39/80/08/774398008.db2.gz JFBKYALOWKSWJG-NSHDSACASA-N 1 0 275.312 1.537 20 5 CDBDRO CN(C(=O)Cc1ccccc1[N+](=O)[O-])C1CCC([NH3+])CC1 ZINC000091845142 774528192 /nfs/dbraw/zinc/52/81/92/774528192.db2.gz GFAATTFNVHGDGK-UHFFFAOYSA-N 1 0 291.351 1.866 20 5 CDBDRO COc1c(O)ccc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)c1[N+](=O)[O-] ZINC000893907010 774640587 /nfs/dbraw/zinc/64/05/87/774640587.db2.gz GIGUXBPQZPTNKV-ONGXEEELSA-N 1 0 296.323 1.512 20 5 CDBDRO CNc1ccc(C(=O)N2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000110920886 774650538 /nfs/dbraw/zinc/65/05/38/774650538.db2.gz QRBAQENLPWCEAD-JTQLQIEISA-N 1 0 292.339 1.413 20 5 CDBDRO C[C@@H]1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794625860 774814619 /nfs/dbraw/zinc/81/46/19/774814619.db2.gz CLYDRJBMYVILMY-SECBINFHSA-N 1 0 277.280 1.802 20 5 CDBDRO CSCC(C)(C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000934663635 774816247 /nfs/dbraw/zinc/81/62/47/774816247.db2.gz LSJHXQRQVCZREI-UHFFFAOYSA-N 1 0 272.374 1.831 20 5 CDBDRO Nc1nc(NCCC[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000076519089 774827548 /nfs/dbraw/zinc/82/75/48/774827548.db2.gz VHCVKJGVFRCHSU-UHFFFAOYSA-N 1 0 280.332 1.255 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000094775231 775084392 /nfs/dbraw/zinc/08/43/92/775084392.db2.gz DEUSPTSHSQXATP-PHIMTYICSA-N 1 0 265.288 1.385 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCC2(O)CCC2)c1 ZINC000819375367 775096983 /nfs/dbraw/zinc/09/69/83/775096983.db2.gz PNWCXUDATVDVNF-AWEZNQCLSA-N 1 0 294.351 1.913 20 5 CDBDRO O=[N+]([O-])CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000930457306 775322359 /nfs/dbraw/zinc/32/23/59/775322359.db2.gz AVUQOSPRBOGAMU-QLFBSQMISA-N 1 0 276.336 1.768 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2CCO)cc1 ZINC000778273303 775331267 /nfs/dbraw/zinc/33/12/67/775331267.db2.gz YMFYHYUZWIBWQR-OCCSQVGLSA-N 1 0 280.324 1.475 20 5 CDBDRO C[C@@H](CCCCO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843114024 775411553 /nfs/dbraw/zinc/41/15/53/775411553.db2.gz GONNXMITXSUOOQ-SMDDNHRTSA-N 1 0 282.340 1.769 20 5 CDBDRO CC(C)(NC(=O)Cc1ncc[nH]1)c1ccccc1[N+](=O)[O-] ZINC000854606191 775626022 /nfs/dbraw/zinc/62/60/22/775626022.db2.gz ZGTRDXWGYPZKEX-UHFFFAOYSA-N 1 0 288.307 1.912 20 5 CDBDRO CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001019898302 775770404 /nfs/dbraw/zinc/77/04/04/775770404.db2.gz VXXKXGWSCBIIBQ-MGCOHNPYSA-N 1 0 283.353 1.803 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000882479050 775818162 /nfs/dbraw/zinc/81/81/62/775818162.db2.gz LPDJIPRESDZRBI-NSHDSACASA-N 1 0 293.323 1.427 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](c3ccccn3)C2)n1 ZINC000799191134 775827599 /nfs/dbraw/zinc/82/75/99/775827599.db2.gz XFAYXIXMDJWCAE-LBPRGKRZSA-N 1 0 287.323 1.676 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(=O)NCC1CC1 ZINC000873101951 775889297 /nfs/dbraw/zinc/88/92/97/775889297.db2.gz FMUTVCNILNETEW-UHFFFAOYSA-N 1 0 291.351 1.827 20 5 CDBDRO CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831754353 775912752 /nfs/dbraw/zinc/91/27/52/775912752.db2.gz LIOGMVMWKGSUCG-MGPQQGTHSA-N 1 0 280.324 1.785 20 5 CDBDRO Cc1c(C[NH2+]CCN2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000873044157 775948502 /nfs/dbraw/zinc/94/85/02/775948502.db2.gz FGUNXWFOLYGOEK-GFCCVEGCSA-N 1 0 293.367 1.714 20 5 CDBDRO Cc1ccc(NC(=O)CO[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000843358629 775997098 /nfs/dbraw/zinc/99/70/98/775997098.db2.gz IZTAYELDOUOEEI-GFCCVEGCSA-N 1 0 293.323 1.610 20 5 CDBDRO C[NH+](C)C(C)(C)CNc1ccnc(F)c1[N+](=O)[O-] ZINC000881755320 776039092 /nfs/dbraw/zinc/03/90/92/776039092.db2.gz JTTACBPCXZGBQA-UHFFFAOYSA-N 1 0 256.281 1.881 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000828737245 776040985 /nfs/dbraw/zinc/04/09/85/776040985.db2.gz KLUIFHFSMZHQGH-UHFFFAOYSA-N 1 0 271.361 1.375 20 5 CDBDRO Cc1cc(C(=O)OCCC[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000791840283 776062213 /nfs/dbraw/zinc/06/22/13/776062213.db2.gz RMVRSEOQCNWCHX-UHFFFAOYSA-N 1 0 281.312 1.594 20 5 CDBDRO C[NH+](C)[C@H](CNc1ccc(N)cc1[N+](=O)[O-])C1CC1 ZINC000804431330 776184020 /nfs/dbraw/zinc/18/40/20/776184020.db2.gz AVXQKWWAZSJCKD-CYBMUJFWSA-N 1 0 264.329 1.929 20 5 CDBDRO C[NH2+]C[C@@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000853249840 776185474 /nfs/dbraw/zinc/18/54/74/776185474.db2.gz WMLNOZHKNGZUQP-MRVPVSSYSA-N 1 0 257.721 1.946 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000823269110 776281979 /nfs/dbraw/zinc/28/19/79/776281979.db2.gz CZKKXXJJHSHAKU-NTSWFWBYSA-N 1 0 252.230 1.689 20 5 CDBDRO C[C@H](O)CC[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279840 776320473 /nfs/dbraw/zinc/32/04/73/776320473.db2.gz YIGKCOGPZFAXKK-GXFFZTMASA-N 1 0 268.313 1.331 20 5 CDBDRO [NH3+][C@H](CC1CC1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000884173476 776343183 /nfs/dbraw/zinc/34/31/83/776343183.db2.gz XDGNOBBSSLOUGL-GFCCVEGCSA-N 1 0 297.742 1.992 20 5 CDBDRO Cc1c(CNC(=O)[C@@]2(F)CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000831993244 776365436 /nfs/dbraw/zinc/36/54/36/776365436.db2.gz RMYXQBNOXRTISU-CYBMUJFWSA-N 1 0 281.287 1.221 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](C3OCCO3)C2)cc1 ZINC000719097178 776380219 /nfs/dbraw/zinc/38/02/19/776380219.db2.gz FVABDLVNHXWFDI-ZDUSSCGKSA-N 1 0 292.335 1.832 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCC[C@H]2O)c1 ZINC000843062277 776384044 /nfs/dbraw/zinc/38/40/44/776384044.db2.gz HEBSUVAFJAMLII-UPJWGTAASA-N 1 0 266.297 1.131 20 5 CDBDRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cccs1 ZINC000839462840 776569513 /nfs/dbraw/zinc/56/95/13/776569513.db2.gz KZJMGWCTIOWHHM-BBBLOLIVSA-N 1 0 283.353 1.132 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2Cc1cccnc1[N+](=O)[O-] ZINC000931718563 776606672 /nfs/dbraw/zinc/60/66/72/776606672.db2.gz BMCHSWMMRZMZIJ-QWHCGFSZSA-N 1 0 276.340 1.658 20 5 CDBDRO O=[N+]([O-])c1ccccc1Cc1noc([C@]2(F)CC[NH2+]C2)n1 ZINC000843170967 776836803 /nfs/dbraw/zinc/83/68/03/776836803.db2.gz NZRYEOWNCVJTLZ-ZDUSSCGKSA-N 1 0 292.270 1.727 20 5 CDBDRO C[C@]1(C[NH3+])CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886837178 776853050 /nfs/dbraw/zinc/85/30/50/776853050.db2.gz CEMKKUFHRSAMBH-GFCCVEGCSA-N 1 0 250.302 1.161 20 5 CDBDRO CCN(CC)C(=O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818975849 776982561 /nfs/dbraw/zinc/98/25/61/776982561.db2.gz ZEIGKXCZVZAZFX-CYBMUJFWSA-N 1 0 295.339 1.086 20 5 CDBDRO COc1ccc(OCC[N@@H+]2C[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000886334148 777121735 /nfs/dbraw/zinc/12/17/35/777121735.db2.gz RJQLZVPTCFSFDH-PHIMTYICSA-N 1 0 278.308 1.934 20 5 CDBDRO [NH3+]CC[C@H]1CCCCN1Cc1cccnc1[N+](=O)[O-] ZINC000886838385 777135036 /nfs/dbraw/zinc/13/50/36/777135036.db2.gz WPXNRAKZMVNXMC-GFCCVEGCSA-N 1 0 264.329 1.693 20 5 CDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887935059 777196077 /nfs/dbraw/zinc/19/60/77/777196077.db2.gz GRIMDEWQZVYZHY-MFKMUULPSA-N 1 0 295.364 1.680 20 5 CDBDRO C[C@H]([NH3+])CN(C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000311066740 777280291 /nfs/dbraw/zinc/28/02/91/777280291.db2.gz YFJCILDWGXFOTM-ZETCQYMHSA-N 1 0 255.249 1.153 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2C[C@H](O)C2)cc1 ZINC000720941788 777494731 /nfs/dbraw/zinc/49/47/31/777494731.db2.gz YYODNUHEDYNBCG-AULYBMBSSA-N 1 0 250.298 1.498 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776583000 777538752 /nfs/dbraw/zinc/53/87/52/777538752.db2.gz YICZTZLTXMAAET-GJZGRUSLSA-N 1 0 293.367 1.654 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(CC(N)=O)CC1 ZINC000873132335 777606798 /nfs/dbraw/zinc/60/67/98/777606798.db2.gz PHWVJYGPEZVNFX-UHFFFAOYSA-N 1 0 291.351 1.957 20 5 CDBDRO C[NH+](C)CCCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000929161254 777614037 /nfs/dbraw/zinc/61/40/37/777614037.db2.gz ORLLHAMSXWSREM-KBPBESRZSA-N 1 0 291.351 1.766 20 5 CDBDRO COC[C@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000716801170 777706663 /nfs/dbraw/zinc/70/66/63/777706663.db2.gz MVLUBJXRPHCJJB-LBPRGKRZSA-N 1 0 272.276 1.221 20 5 CDBDRO COc1ccc(C(=O)OCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000789946208 777750213 /nfs/dbraw/zinc/75/02/13/777750213.db2.gz UZPUMKSSQMEGCZ-UHFFFAOYSA-N 1 0 282.296 1.712 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923294007 777828416 /nfs/dbraw/zinc/82/84/16/777828416.db2.gz BZTDIRFMOPPIGU-KBPBESRZSA-N 1 0 279.340 1.312 20 5 CDBDRO CN(C(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC000159878666 777845545 /nfs/dbraw/zinc/84/55/45/777845545.db2.gz AWZQEDJZRYSSMU-LBPRGKRZSA-N 1 0 281.287 1.543 20 5 CDBDRO [NH2+]=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC1 ZINC000849012641 777969675 /nfs/dbraw/zinc/96/96/75/777969675.db2.gz HZNGWZQKSFVJFU-UHFFFAOYSA-N 1 0 268.704 1.978 20 5 CDBDRO CSC[C@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000229362351 778020220 /nfs/dbraw/zinc/02/02/20/778020220.db2.gz SOAMLIJDAKVUBW-JOYOIKCWSA-N 1 0 270.354 1.969 20 5 CDBDRO C[C@@H]([NH2+]CCc1cn[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC000932178243 778067113 /nfs/dbraw/zinc/06/71/13/778067113.db2.gz JTKIUMCZIDLRQG-SECBINFHSA-N 1 0 261.285 1.606 20 5 CDBDRO C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000928553281 778141122 /nfs/dbraw/zinc/14/11/22/778141122.db2.gz MLPIADVVDXCCTI-MELADBBJSA-N 1 0 289.335 1.519 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000839195529 778311220 /nfs/dbraw/zinc/31/12/20/778311220.db2.gz BTQOQUYEAGJRGA-QMTHXVAHSA-N 1 0 290.323 1.713 20 5 CDBDRO C[C@]1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000819060665 778335185 /nfs/dbraw/zinc/33/51/85/778335185.db2.gz KHVUECCSQQXHRG-ZIAGYGMSSA-N 1 0 280.324 1.644 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1Cc1cccnc1[N+](=O)[O-] ZINC000886830586 778353445 /nfs/dbraw/zinc/35/34/45/778353445.db2.gz UNUJROUTPYCUDD-LLVKDONJSA-N 1 0 250.302 1.174 20 5 CDBDRO Cc1cc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)on1 ZINC000106081885 778385937 /nfs/dbraw/zinc/38/59/37/778385937.db2.gz IUELPQGYOLDSHB-CYBMUJFWSA-N 1 0 277.280 1.714 20 5 CDBDRO CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050244695 778523575 /nfs/dbraw/zinc/52/35/75/778523575.db2.gz SOWMWWDJPIVQBA-ZIAGYGMSSA-N 1 0 291.351 1.420 20 5 CDBDRO Cc1nn(Cc2ccnc(N(C)C)c2)c(C)c1[N+](=O)[O-] ZINC000782112262 778552677 /nfs/dbraw/zinc/55/26/77/778552677.db2.gz ZCHGVSNVBJEUMJ-UHFFFAOYSA-N 1 0 275.312 1.917 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931276900 778631481 /nfs/dbraw/zinc/63/14/81/778631481.db2.gz LEDFOKAYCXXVBI-NHAGDIPZSA-N 1 0 291.351 1.595 20 5 CDBDRO Cc1cc(Cc2noc([C@@H]3C[C@@H]3[NH3+])n2)ccc1[N+](=O)[O-] ZINC000822862098 778700577 /nfs/dbraw/zinc/70/05/77/778700577.db2.gz HOZCYCQCRINUKE-ZJUUUORDSA-N 1 0 274.280 1.692 20 5 CDBDRO CCCCNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867948946 778775040 /nfs/dbraw/zinc/77/50/40/778775040.db2.gz JGHYGDOEEXQCSN-ZDUSSCGKSA-N 1 0 265.313 1.685 20 5 CDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)[C@H](C)C[NH2+]1 ZINC000086471532 778811228 /nfs/dbraw/zinc/81/12/28/778811228.db2.gz MRRSQBGOOCTGHL-RKDXNWHRSA-N 1 0 253.277 1.921 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000091395522 778985283 /nfs/dbraw/zinc/98/52/83/778985283.db2.gz OXNDPXJBBFLCHO-NSHDSACASA-N 1 0 295.314 1.900 20 5 CDBDRO CON(C)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850476878 779142689 /nfs/dbraw/zinc/14/26/89/779142689.db2.gz BUMQBNFGHFHVGJ-VIFPVBQESA-N 1 0 268.317 1.321 20 5 CDBDRO C[N@H+](C[C@@H](O)COc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000312839307 779259830 /nfs/dbraw/zinc/25/98/30/779259830.db2.gz FALPCMAFMUNCLV-LLVKDONJSA-N 1 0 284.287 1.568 20 5 CDBDRO C[NH+](C)C[C@H](O)CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000717403476 779421228 /nfs/dbraw/zinc/42/12/28/779421228.db2.gz XEJJKVIVKJLBHD-SECBINFHSA-N 1 0 273.720 1.583 20 5 CDBDRO C[N@@H+]1CCN(CC[N+](=O)[O-])[C@H](Cc2ccccc2)C1 ZINC000930856881 779437361 /nfs/dbraw/zinc/43/73/61/779437361.db2.gz LCILXQUMBQUQRJ-CQSZACIVSA-N 1 0 263.341 1.122 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000049558832 779622437 /nfs/dbraw/zinc/62/24/37/779622437.db2.gz KBXKVNNPRNKOGE-SECBINFHSA-N 1 0 283.303 1.804 20 5 CDBDRO C[N@H+](Cn1cc([N+](=O)[O-])cn1)C(C1CC1)C1CC1 ZINC000066078814 779850467 /nfs/dbraw/zinc/85/04/67/779850467.db2.gz JHCQHDURWLECEX-UHFFFAOYSA-N 1 0 250.302 1.869 20 5 CDBDRO CC[NH2+]CCNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841036067 779865887 /nfs/dbraw/zinc/86/58/87/779865887.db2.gz NWJZOHJYQMYERS-UHFFFAOYSA-N 1 0 292.383 1.763 20 5 CDBDRO NC(=O)c1ccc(N[C@@H]2CCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000089105927 779981251 /nfs/dbraw/zinc/98/12/51/779981251.db2.gz SOLDCXHYGUEANS-VHSXEESVSA-N 1 0 278.312 1.233 20 5 CDBDRO CO[C@H](C)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819001403 780002792 /nfs/dbraw/zinc/00/27/92/780002792.db2.gz MQFLSIFVVOKIGR-MFKMUULPSA-N 1 0 268.313 1.643 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CCC(C)(C)[N+](=O)[O-])CC[C@@H]21 ZINC000827009197 780013224 /nfs/dbraw/zinc/01/32/24/780013224.db2.gz NDWQTCRYLUVBNQ-OLZOCXBDSA-N 1 0 297.399 1.765 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C(C)(C)C[NH3+])CC2 ZINC000818609097 780026856 /nfs/dbraw/zinc/02/68/56/780026856.db2.gz QDZCVAMVDRMAQD-UHFFFAOYSA-N 1 0 277.324 1.777 20 5 CDBDRO CC[NH+](CC)[C@@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000173467322 780162227 /nfs/dbraw/zinc/16/22/27/780162227.db2.gz DHKDVWJXIMZHEV-LLVKDONJSA-N 1 0 267.333 1.165 20 5 CDBDRO COC[C@H](C)NC(=[NH2+])NCCNc1ccc([N+](=O)[O-])cc1 ZINC000848982792 780166042 /nfs/dbraw/zinc/16/60/42/780166042.db2.gz RWXJQKMNUOTHFM-JTQLQIEISA-N 1 0 295.343 1.156 20 5 CDBDRO COCC[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818991890 780181486 /nfs/dbraw/zinc/18/14/86/780181486.db2.gz KYJWSLSGPRKYMY-GWCFXTLKSA-N 1 0 268.313 1.643 20 5 CDBDRO CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000110939637 1166536594 /nfs/dbraw/zinc/53/65/94/1166536594.db2.gz OPEVJKWOENIMJE-AWEZNQCLSA-N 1 0 291.351 1.738 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC(=O)NC1 ZINC001173216405 912298539 /nfs/dbraw/zinc/29/85/39/912298539.db2.gz JBJROSJEDOGUJN-DGCLKSJQSA-N 1 0 291.351 1.642 20 5 CDBDRO CC(C)CNC(=O)C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173236175 912332562 /nfs/dbraw/zinc/33/25/62/912332562.db2.gz YPYUTDLNPOOIBW-GFCCVEGCSA-N 1 0 293.367 1.888 20 5 CDBDRO CC[C@@H]1COC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000699831835 914333643 /nfs/dbraw/zinc/33/36/43/914333643.db2.gz ABBBKKYPZBGGPJ-RISCZKNCSA-N 1 0 280.324 1.988 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1c(F)cccc1F ZINC001225208295 902354715 /nfs/dbraw/zinc/35/47/15/902354715.db2.gz VVHAHLNNHYVVOL-SECBINFHSA-N 1 0 274.287 1.327 20 5 CDBDRO CC(C)[NH+]1CC(Nc2ccc3ncc([N+](=O)[O-])n3c2)C1 ZINC001168314127 908983170 /nfs/dbraw/zinc/98/31/70/908983170.db2.gz LAYVJFUNLAVLCU-UHFFFAOYSA-N 1 0 275.312 1.747 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@H](C[NH3+])CC[C@@H]1C ZINC000070183050 916142075 /nfs/dbraw/zinc/14/20/75/916142075.db2.gz RVJBVLSHVJQKQT-QWRGUYRKSA-N 1 0 264.329 1.862 20 5 CDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N(C)CC[NH+](C)C ZINC001163590393 924015784 /nfs/dbraw/zinc/01/57/84/924015784.db2.gz UPGLJOBFGMEGKJ-UHFFFAOYSA-N 1 0 296.327 1.164 20 5 CDBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])n[nH]1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001155037625 926437631 /nfs/dbraw/zinc/43/76/31/926437631.db2.gz GEMJISHNYPBCHM-YIZRAAEISA-N 1 0 281.316 1.518 20 5 CDBDRO COc1nc(N[C@H]2C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC001155663142 927035241 /nfs/dbraw/zinc/03/52/41/927035241.db2.gz WTRVTRWXXXGKRA-JTQLQIEISA-N 1 0 278.312 1.505 20 5 CDBDRO [NH3+]CCN(c1cccnc1)c1cnc(F)c([N+](=O)[O-])c1 ZINC001168838180 927483856 /nfs/dbraw/zinc/48/38/56/927483856.db2.gz SNOIJWRAXQXSGW-UHFFFAOYSA-N 1 0 277.259 1.621 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cnn(C)c1 ZINC001168978038 927565834 /nfs/dbraw/zinc/56/58/34/927565834.db2.gz NWRPTMWFSRAGJK-JBLDHEPKSA-N 1 0 252.318 1.516 20 5 CDBDRO O=C(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)Cc1ccc(F)cc1 ZINC001168985306 927573589 /nfs/dbraw/zinc/57/35/89/927573589.db2.gz DGGDIDALILYCCM-GXTWGEPZSA-N 1 0 294.326 1.972 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cncc(Cl)n2)C1 ZINC001168985287 927573670 /nfs/dbraw/zinc/57/36/70/927573670.db2.gz SRJXVCWHMLQIKT-BDAKNGLRSA-N 1 0 270.720 1.665 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cncc(Cl)n2)C1 ZINC001168985289 927574809 /nfs/dbraw/zinc/57/48/09/927574809.db2.gz SRJXVCWHMLQIKT-IUCAKERBSA-N 1 0 270.720 1.665 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H](CO)c2ccc(F)cc2)C1 ZINC001168986211 927574965 /nfs/dbraw/zinc/57/49/65/927574965.db2.gz WYNVGJPFKVMUSF-BPNCWPANSA-N 1 0 282.315 1.894 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ncc(F)cn2)C1 ZINC001168964513 927587485 /nfs/dbraw/zinc/58/74/85/927587485.db2.gz ULVJYNANXXKMGG-PSASIEDQSA-N 1 0 254.265 1.151 20 5 CDBDRO Cn1cc(C2([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cn1 ZINC001168975265 927598976 /nfs/dbraw/zinc/59/89/76/927598976.db2.gz VSRGXLAJNNMKNZ-PWSUYJOCSA-N 1 0 264.329 1.444 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3cnccn3)CC2)C1 ZINC001168997978 927603338 /nfs/dbraw/zinc/60/33/38/927603338.db2.gz GXKMEADAOMFKAY-WDEREUQCSA-N 1 0 262.313 1.501 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(C3CC3)CC2)C1 ZINC001169007377 927610849 /nfs/dbraw/zinc/61/08/49/927610849.db2.gz MZAZLKKFKLBIAL-AAEUAGOBSA-N 1 0 253.346 1.212 20 5 CDBDRO CO[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169007206 927611680 /nfs/dbraw/zinc/61/16/80/927611680.db2.gz LTSMWPDSGNHJQM-WUHRBBMRSA-N 1 0 256.346 1.979 20 5 CDBDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC[C@@]1(C)O ZINC001169012225 927617021 /nfs/dbraw/zinc/61/70/21/927617021.db2.gz OTGZWAHFLOLANB-XJFOESAGSA-N 1 0 270.373 1.915 20 5 CDBDRO C[C@]1(CO)CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169010548 927617850 /nfs/dbraw/zinc/61/78/50/927617850.db2.gz DKLGIDINDVVMKF-MJBXVCDLSA-N 1 0 270.373 1.916 20 5 CDBDRO COC(=O)N1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169014434 927620399 /nfs/dbraw/zinc/62/03/99/927620399.db2.gz ZPLTVBCLVLSWQA-NEPJUHHUSA-N 1 0 285.344 1.206 20 5 CDBDRO CCCc1cc(C[NH3+])nn1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987905 927625364 /nfs/dbraw/zinc/62/53/64/927625364.db2.gz LEZMFTMBTNJZTG-ZWNOBZJWSA-N 1 0 266.345 1.912 20 5 CDBDRO COC(CCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)OC ZINC001168989411 927626439 /nfs/dbraw/zinc/62/64/39/927626439.db2.gz WLNINJQRVJOABY-MNOVXSKESA-N 1 0 260.334 1.421 20 5 CDBDRO CCCN1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169036671 927646651 /nfs/dbraw/zinc/64/66/51/927646651.db2.gz PODAJCIGOSNQHQ-CHWSQXEVSA-N 1 0 255.362 1.459 20 5 CDBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038261 927646671 /nfs/dbraw/zinc/64/66/71/927646671.db2.gz XNIKQPYHIRBSHC-SRVKXCTJSA-N 1 0 291.355 1.405 20 5 CDBDRO COc1ncnc2c1CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169038097 927646764 /nfs/dbraw/zinc/64/67/64/927646764.db2.gz VIAHNFWONLGGIB-WDEREUQCSA-N 1 0 292.339 1.289 20 5 CDBDRO CC(C)[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCO1 ZINC001169036992 927648205 /nfs/dbraw/zinc/64/82/05/927648205.db2.gz HUOAMXGRFNODOW-AVGNSLFASA-N 1 0 256.346 1.789 20 5 CDBDRO CC(=O)N1CCC[C@H]([N@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169041002 927653378 /nfs/dbraw/zinc/65/33/78/927653378.db2.gz AJBOVLOMEJBHGS-IHRRRGAJSA-N 1 0 283.372 1.375 20 5 CDBDRO C[N@H+](CCN1CCCC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039831 927654135 /nfs/dbraw/zinc/65/41/35/927654135.db2.gz UPXPTCALFROYDR-OLZOCXBDSA-N 1 0 255.362 1.459 20 5 CDBDRO CN(C)[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169022500 927662241 /nfs/dbraw/zinc/66/22/41/927662241.db2.gz CGXXPHYYXHTQKG-JHJVBQTASA-N 1 0 255.362 1.458 20 5 CDBDRO CN(C)[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169022501 927662407 /nfs/dbraw/zinc/66/24/07/927662407.db2.gz CGXXPHYYXHTQKG-RWMBFGLXSA-N 1 0 255.362 1.458 20 5 CDBDRO CCCCN1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169024442 927663312 /nfs/dbraw/zinc/66/33/12/927663312.db2.gz HDIHJXRJXLXOCA-ZIAGYGMSSA-N 1 0 269.389 1.850 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+](CCO)Cc2cccs2)C1 ZINC001169023192 927664017 /nfs/dbraw/zinc/66/40/17/927664017.db2.gz DJGZWSIQYDIPDE-VXGBXAGGSA-N 1 0 284.381 1.988 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCC3(C2)CCOCC3)C1 ZINC001169026565 927666695 /nfs/dbraw/zinc/66/66/95/927666695.db2.gz MTCYMIFCRKFXBJ-QWHCGFSZSA-N 1 0 268.357 1.934 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H](N(c2ccccn2)[C@@H]2CC[NH2+]C2)C1 ZINC001169053846 927672586 /nfs/dbraw/zinc/67/25/86/927672586.db2.gz JWXSYFIOEVUILL-BFHYXJOUSA-N 1 0 290.367 1.695 20 5 CDBDRO CCN1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169056308 927672743 /nfs/dbraw/zinc/67/27/43/927672743.db2.gz RMRREIQJSBPDFQ-NDBYEHHHSA-N 1 0 253.346 1.210 20 5 CDBDRO CCN(C(C)=O)C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169057967 927676038 /nfs/dbraw/zinc/67/60/38/927676038.db2.gz ZPSPWISZBQGDPZ-DZGCQCFKSA-N 1 0 297.399 1.765 20 5 CDBDRO COc1nc(C)c(NCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC001169566819 928183726 /nfs/dbraw/zinc/18/37/26/928183726.db2.gz FVCWLMOAEWUXDJ-SNVBAGLBSA-N 1 0 280.328 1.861 20 5 CDBDRO Cc1nc(Cl)nc(-n2ccc(C[NH3+])cc2=N)c1[N+](=O)[O-] ZINC001156849740 929011998 /nfs/dbraw/zinc/01/19/98/929011998.db2.gz AKLDTMLUGRKIHN-UHFFFAOYSA-N 1 0 294.702 1.075 20 5 CDBDRO OC[C@@H]1C[NH2+]C[C@@H]1Nc1ncnc2cc3ccccc3cc21 ZINC001170780176 929968651 /nfs/dbraw/zinc/96/86/51/929968651.db2.gz SHJHFIRQCAJAEU-BBRMVZONSA-N 1 0 294.358 1.775 20 5 CDBDRO OC[C@H]1C[NH2+]C[C@H]1Nc1ncnc2cc3ccccc3cc21 ZINC001170780178 929969085 /nfs/dbraw/zinc/96/90/85/929969085.db2.gz SHJHFIRQCAJAEU-CZUORRHYSA-N 1 0 294.358 1.775 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1cnc(Cl)cc1[N+](=O)[O-] ZINC001170857522 930464694 /nfs/dbraw/zinc/46/46/94/930464694.db2.gz JVZZPFACYOGPCG-VIFPVBQESA-N 1 0 260.681 1.112 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1c(Cl)nccc1[N+](=O)[O-] ZINC001170858605 930475123 /nfs/dbraw/zinc/47/51/23/930475123.db2.gz LPQVWNPHGNSFHU-SECBINFHSA-N 1 0 260.681 1.112 20 5 CDBDRO CC(C)(CCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[N+](=O)[O-] ZINC000823196007 931271577 /nfs/dbraw/zinc/27/15/77/931271577.db2.gz RTMZWMBCPNZAND-LBPRGKRZSA-N 1 0 283.372 1.422 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NCC1=CC[N@H+](C)CC1 ZINC001117264575 937505108 /nfs/dbraw/zinc/50/51/08/937505108.db2.gz UQYGIGINJQFVTO-UHFFFAOYSA-N 1 0 262.313 1.394 20 5 CDBDRO COC(=O)c1cc(NCC(C)(C)[NH3+])cc([N+](=O)[O-])c1 ZINC001171192699 931851198 /nfs/dbraw/zinc/85/11/98/931851198.db2.gz KNVMSFFYSWQSLV-UHFFFAOYSA-N 1 0 267.285 1.531 20 5 CDBDRO CC(=O)Nc1ccc(NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC001171192594 931851298 /nfs/dbraw/zinc/85/12/98/931851298.db2.gz GTEKDCAIMAPBMO-UHFFFAOYSA-N 1 0 266.301 1.702 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](CC[NH+](C)C)C1 ZINC001154643570 937570492 /nfs/dbraw/zinc/57/04/92/937570492.db2.gz LNUYZKSZDIMCLW-LLVKDONJSA-N 1 0 294.355 1.347 20 5 CDBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1cc(Cl)ncc1[N+](=O)[O-] ZINC001154748714 937582078 /nfs/dbraw/zinc/58/20/78/937582078.db2.gz LDJPELXXBHAEPI-VIFPVBQESA-N 1 0 299.762 1.349 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)CCO)c1F ZINC001246912258 932422965 /nfs/dbraw/zinc/42/29/65/932422965.db2.gz KJJRCYIMCSGFSY-SECBINFHSA-N 1 0 286.303 1.598 20 5 CDBDRO Cc1nc(NC[C@@H]2CCC[NH2+]C[C@H]2C)ncc1[N+](=O)[O-] ZINC001155029033 937623210 /nfs/dbraw/zinc/62/32/10/937623210.db2.gz IBPDCRITBYIMDC-KOLCDFICSA-N 1 0 279.344 1.741 20 5 CDBDRO COc1nc(NC[C@H]2C[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC001155101398 937635055 /nfs/dbraw/zinc/63/50/55/937635055.db2.gz WILBPNSQPZFNIW-RKDXNWHRSA-N 1 0 266.301 1.408 20 5 CDBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1ccc([N+](=O)[O-])c(N)n1 ZINC001155254394 937653726 /nfs/dbraw/zinc/65/37/26/937653726.db2.gz JJOOWSANVSLMLN-QMMMGPOBSA-N 1 0 298.306 1.931 20 5 CDBDRO CCCCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001123666324 936198182 /nfs/dbraw/zinc/19/81/82/936198182.db2.gz IYZBBWIMNAROJG-UHFFFAOYSA-N 1 0 279.340 1.991 20 5 CDBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccon1 ZINC001124186326 936295373 /nfs/dbraw/zinc/29/53/73/936295373.db2.gz FLYZAFVQVYSIIM-UHFFFAOYSA-N 1 0 296.308 1.164 20 5 CDBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[NH+](C(C)C)CC1 ZINC001121697904 937880492 /nfs/dbraw/zinc/88/04/92/937880492.db2.gz DNYHGDFTSYJIDK-NSHDSACASA-N 1 0 296.375 1.166 20 5 CDBDRO Cc1c(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC001122216626 937913513 /nfs/dbraw/zinc/91/35/13/937913513.db2.gz RZLFEAZALHMOIO-NWDGAFQWSA-N 1 0 289.335 1.585 20 5 CDBDRO CC(C)(F)C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001122510289 937938136 /nfs/dbraw/zinc/93/81/36/937938136.db2.gz KHQNKTLBJSBNSY-UHFFFAOYSA-N 1 0 283.303 1.549 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N(CCC[NH3+])C(C)C ZINC001156118413 938321376 /nfs/dbraw/zinc/32/13/76/938321376.db2.gz IYPVJVYNBCRSDK-UHFFFAOYSA-N 1 0 296.327 1.340 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(NCC[C@H]2CCC[N@@H+](C)C2)n1 ZINC001156380348 938360993 /nfs/dbraw/zinc/36/09/93/938360993.db2.gz ZHTYMQQMCAYMES-LLVKDONJSA-N 1 0 279.344 1.837 20 5 CDBDRO [NH3+]CCc1nccn1-c1nccc2ccc([N+](=O)[O-])cc21 ZINC001156483840 938374342 /nfs/dbraw/zinc/37/43/42/938374342.db2.gz FIWGKYRCXIIMHC-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001156851111 938426199 /nfs/dbraw/zinc/42/61/99/938426199.db2.gz YSGLTYWAVXGLGR-UHFFFAOYSA-N 1 0 296.290 1.267 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH2+]CC[C@H]2F)nc2[nH]ccc21 ZINC001157450827 938493766 /nfs/dbraw/zinc/49/37/66/938493766.db2.gz UKJDLEVHZAKHQY-BDAKNGLRSA-N 1 0 279.275 1.583 20 5 CDBDRO O=[N+]([O-])c1ccccc1-c1ccc(N2C[C@@H]3C[NH2+][C@@H]3C2)nn1 ZINC001157624348 938522368 /nfs/dbraw/zinc/52/23/68/938522368.db2.gz YLQCLAGNLHKUFC-GXFFZTMASA-N 1 0 297.318 1.460 20 5 CDBDRO Cc1nc(N2CCC[C@@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC001158674264 938649021 /nfs/dbraw/zinc/64/90/21/938649021.db2.gz VIUAEVQEOHJIPL-ZDUSSCGKSA-N 1 0 264.329 1.863 20 5 CDBDRO [NH3+]Cc1ccn(-c2ncc(Cl)cc2[N+](=O)[O-])c1 ZINC001158760205 938660533 /nfs/dbraw/zinc/66/05/33/938660533.db2.gz KTVGDMZJJLWGNR-UHFFFAOYSA-N 1 0 252.661 1.893 20 5 CDBDRO O=[N+]([O-])c1ccc2ncc(N3CC4(C3)CCC[NH2+]C4)nc2c1 ZINC001159020092 938691181 /nfs/dbraw/zinc/69/11/81/938691181.db2.gz SVCAJIPWVUGLHC-UHFFFAOYSA-N 1 0 299.334 1.728 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC3(C[NH2+]C3)CC2)n1 ZINC001159042914 938695733 /nfs/dbraw/zinc/69/57/33/938695733.db2.gz NYFZPVKRBSPPPW-UHFFFAOYSA-N 1 0 276.340 1.796 20 5 CDBDRO Cc1nc(-n2cc3ccc(C[NH3+])cc3n2)ncc1[N+](=O)[O-] ZINC001160143071 938770935 /nfs/dbraw/zinc/77/09/35/938770935.db2.gz GBDBSAWJMSXJIN-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO Nc1cc(NCc2ccccc2C[NH3+])ncc1[N+](=O)[O-] ZINC001160907680 938841719 /nfs/dbraw/zinc/84/17/19/938841719.db2.gz ZGFOJBAGWWMPKE-UHFFFAOYSA-N 1 0 273.296 1.643 20 5 CDBDRO Cc1cc(NC/C=C/C[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001160982895 938854187 /nfs/dbraw/zinc/85/41/87/938854187.db2.gz SXFOOFOGOAHZCG-NSCUHMNNSA-N 1 0 299.334 1.709 20 5 CDBDRO Cn1cc(CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)cn1 ZINC001161855876 938935864 /nfs/dbraw/zinc/93/58/64/938935864.db2.gz OMOTYUOLIZPYNN-UHFFFAOYSA-N 1 0 273.296 1.544 20 5 CDBDRO CC[C@@H](CNc1nn(C)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001162132406 938957153 /nfs/dbraw/zinc/95/71/53/938957153.db2.gz POQQYNNAEKKCKG-JTQLQIEISA-N 1 0 267.333 1.615 20 5 CDBDRO Cc1c[n+]([O-])c(NC[C@]2(F)CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001162580285 939092796 /nfs/dbraw/zinc/09/27/96/939092796.db2.gz UCSXJQIZZLUKKH-ZDUSSCGKSA-N 1 0 298.318 1.430 20 5 CDBDRO O=[N+]([O-])c1cccnc1NC[C@]1(F)CCCC[NH2+]C1 ZINC001162581073 939093179 /nfs/dbraw/zinc/09/31/79/939093179.db2.gz XSNTZVNFTDTLTI-LBPRGKRZSA-N 1 0 268.292 1.884 20 5 CDBDRO COc1ccnc(N[C@@H]2CC[NH2+][C@@H]2C)c1[N+](=O)[O-] ZINC001162666326 939111026 /nfs/dbraw/zinc/11/10/26/939111026.db2.gz BFLOOGXVOSZSHG-HTQZYQBOSA-N 1 0 252.274 1.161 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1ccc2ncc([N+](=O)[O-])n2c1 ZINC001162677583 939113030 /nfs/dbraw/zinc/11/30/30/939113030.db2.gz NPAGHTRBUBFFEU-PSASIEDQSA-N 1 0 261.285 1.405 20 5 CDBDRO O=[N+]([O-])c1cccnc1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163315040 939245801 /nfs/dbraw/zinc/24/58/01/939245801.db2.gz JDYIGLRVHWABPF-ZWNOBZJWSA-N 1 0 278.312 1.313 20 5 CDBDRO CN(CCC[NH+](C)C)c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001163595593 939291924 /nfs/dbraw/zinc/29/19/24/939291924.db2.gz KMARCGBMQFRGDO-UHFFFAOYSA-N 1 0 288.735 1.270 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1C ZINC001163985249 939372598 /nfs/dbraw/zinc/37/25/98/939372598.db2.gz KWTFGWAKENUOAD-UHFFFAOYSA-N 1 0 291.267 1.764 20 5 CDBDRO C[C@H]1CC[C@@H](C[NH3+])N(c2cccc([N+](=O)[O-])n2)C1 ZINC001164070953 939405102 /nfs/dbraw/zinc/40/51/02/939405102.db2.gz QVMQHXNAMGDZTI-UWVGGRQHSA-N 1 0 250.302 1.553 20 5 CDBDRO Cc1nc(N2CCC[C@](C)(C[NH3+])CC2)ncc1[N+](=O)[O-] ZINC001164249547 939441524 /nfs/dbraw/zinc/44/15/24/939441524.db2.gz DVWSPEHAGZFRKS-ZDUSSCGKSA-N 1 0 279.344 1.649 20 5 CDBDRO CCOc1nc(N2C[C@H](C[NH3+])CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC001164467892 939476245 /nfs/dbraw/zinc/47/62/45/939476245.db2.gz OBRCJBSQIGZTGW-QWRGUYRKSA-N 1 0 294.355 1.952 20 5 CDBDRO Cc1c(C)c(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC001165183304 939521279 /nfs/dbraw/zinc/52/12/79/939521279.db2.gz HLFBXDALKNBKSW-WFASDCNBSA-N 1 0 290.367 1.995 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC[C@@H]3[NH2+]C[C@H]32)n1 ZINC001165394708 939558423 /nfs/dbraw/zinc/55/84/23/939558423.db2.gz XPBXGJFKYCRZKT-VHSXEESVSA-N 1 0 282.731 1.892 20 5 CDBDRO [NH3+]C[C@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC001166939533 939653857 /nfs/dbraw/zinc/65/38/57/939653857.db2.gz IYVJEOGYSBMZSI-LBPRGKRZSA-N 1 0 288.307 1.307 20 5 CDBDRO CC[C@H](C)C[C@H]([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000400987180 940862487 /nfs/dbraw/zinc/86/24/87/940862487.db2.gz ZGDSLFKIMKIBMM-GWCFXTLKSA-N 1 0 279.340 1.975 20 5 CDBDRO [NH3+]CCCO[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC001217910497 941027908 /nfs/dbraw/zinc/02/79/08/941027908.db2.gz MMFDCTIXMKLDHO-NSHDSACASA-N 1 0 265.313 1.539 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C)OC1CC[NH+](C)CC1 ZINC001222503990 941604125 /nfs/dbraw/zinc/60/41/25/941604125.db2.gz MHTARDDICDQJDZ-JTQLQIEISA-N 1 0 282.344 1.599 20 5 CDBDRO O=[N+]([O-])C[C@@H](OCCC[NH+]1CCCC1)c1cccnc1 ZINC001224744640 941788675 /nfs/dbraw/zinc/78/86/75/941788675.db2.gz PCUOCVKBOGDCBU-CQSZACIVSA-N 1 0 279.340 1.902 20 5 CDBDRO Cc1cc2c(cc1O[C@@H](C)C[N+](C)(C)C)CC(=O)N2 ZINC001225511032 941871121 /nfs/dbraw/zinc/87/11/21/941871121.db2.gz CJKZNTRHECXTTQ-NSHDSACASA-O 1 0 263.361 1.963 20 5 CDBDRO C[C@@H](C[NH+](C)C)Oc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001226437018 942004835 /nfs/dbraw/zinc/00/48/35/942004835.db2.gz RIPXERPFWSYFEO-VIFPVBQESA-N 1 0 276.296 1.867 20 5 CDBDRO CCOC(=O)c1ccncc1O[C@H](C)C[N+](C)(C)C ZINC001226692840 942050004 /nfs/dbraw/zinc/05/00/04/942050004.db2.gz SKZNZYYOYALUPY-LLVKDONJSA-N 1 0 267.349 1.732 20 5 CDBDRO COc1nccc2c(O[C@H](C)C[N+](C)(C)C)ncnc21 ZINC001226714914 942055397 /nfs/dbraw/zinc/05/53/97/942055397.db2.gz GTULRUKTQFIELM-SNVBAGLBSA-N 1 0 277.348 1.507 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1O[C@H](C)C[NH+](C)C ZINC001227184083 942146228 /nfs/dbraw/zinc/14/62/28/942146228.db2.gz CUMXMRDGFNJETD-SECBINFHSA-N 1 0 254.286 1.932 20 5 CDBDRO Cc1ccc(O[C@@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])n1 ZINC001227221875 942152221 /nfs/dbraw/zinc/15/22/21/942152221.db2.gz GIMPDYJATKDRPH-GFCCVEGCSA-N 1 0 263.297 1.771 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001227741914 942215939 /nfs/dbraw/zinc/21/59/39/942215939.db2.gz SWXJLDZSUZWVES-SECBINFHSA-N 1 0 262.269 1.554 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cnc(C(F)(F)F)nc1 ZINC001227960911 942249148 /nfs/dbraw/zinc/24/91/48/942249148.db2.gz BWIBOVVSUDEIHW-MRVPVSSYSA-N 1 0 264.271 1.969 20 5 CDBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1nc[nH]c(=O)c1[N+](=O)[O-] ZINC001228142175 942274806 /nfs/dbraw/zinc/27/48/06/942274806.db2.gz ZRCKPAGASJRQLZ-DOFRTFSJSA-N 1 0 294.311 1.200 20 5 CDBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ncncc1[N+](=O)[O-])C2 ZINC001228656738 942349239 /nfs/dbraw/zinc/34/92/39/942349239.db2.gz IYVYTTQMMVHDOW-ILWJIGKKSA-N 1 0 264.285 1.389 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2cc[nH]c21 ZINC001228892216 942388763 /nfs/dbraw/zinc/38/87/63/942388763.db2.gz QZLGLOBEGRBVAI-GFCCVEGCSA-N 1 0 277.344 1.531 20 5 CDBDRO CC[N@@H+]1CCC[C@H](Oc2ccnc([N+](=O)[O-])c2)C1 ZINC001233857490 943674486 /nfs/dbraw/zinc/67/44/86/943674486.db2.gz NAPCHQFIVGCCQM-NSHDSACASA-N 1 0 251.286 1.853 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[C@H]1C[NH3+] ZINC001263214899 943791722 /nfs/dbraw/zinc/79/17/22/943791722.db2.gz XULXPERYNMXLOI-ZJUUUORDSA-N 1 0 295.314 1.791 20 5 CDBDRO COC(=O)c1c(OC)cccc1O[C@H](C)C[N+](C)(C)C ZINC001234600087 943908823 /nfs/dbraw/zinc/90/88/23/943908823.db2.gz BMRQOUCOKFXPHM-LLVKDONJSA-N 1 0 282.360 1.955 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCNc1ccc(-c2ccccc2)nn1 ZINC001262559522 946708190 /nfs/dbraw/zinc/70/81/90/946708190.db2.gz OYCXWHLIUSQKJI-UHFFFAOYSA-N 1 0 287.323 1.422 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1(CO)CC1 ZINC001262577672 946729509 /nfs/dbraw/zinc/72/95/09/946729509.db2.gz VKLQCHQHLGWPRZ-ZWNOBZJWSA-N 1 0 280.324 1.379 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CNC(=O)C1 ZINC001254536173 947515425 /nfs/dbraw/zinc/51/54/25/947515425.db2.gz APKQHFZLKACGMO-GHMZBOCLSA-N 1 0 277.324 1.252 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1[C@H](O)CCC[C@@H]1O ZINC001254549954 947520828 /nfs/dbraw/zinc/52/08/28/947520828.db2.gz AXMCUPYAMPGSLY-BSLXNSKLSA-N 1 0 294.351 1.390 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](O)C1 ZINC001254550324 947521744 /nfs/dbraw/zinc/52/17/44/947521744.db2.gz HRFWQIPIVFJXPP-AAEUAGOBSA-N 1 0 264.325 1.983 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)C2 ZINC001254568917 947531251 /nfs/dbraw/zinc/53/12/51/947531251.db2.gz WMHNBDSLCPGADD-IACUBPJLSA-N 1 0 262.309 1.565 20 5 CDBDRO CN1CC[C@@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1=O ZINC001254584152 947539720 /nfs/dbraw/zinc/53/97/20/947539720.db2.gz QLRNWPIYOJEJLR-OLZOCXBDSA-N 1 0 289.335 1.272 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@](C)([NH3+])C1 ZINC001246533297 948234736 /nfs/dbraw/zinc/23/47/36/948234736.db2.gz CTWICCDXJTWERA-FZMZJTMJSA-N 1 0 263.341 1.949 20 5 CDBDRO C[C@@H]1CC[C@H](CN)[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246568266 948289523 /nfs/dbraw/zinc/28/95/23/948289523.db2.gz MSMKVHCPTGLJOA-FVCCEPFGSA-N 1 0 255.362 1.491 20 5 CDBDRO C[C@H]([NH3+])CN(C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001246980825 948558745 /nfs/dbraw/zinc/55/87/45/948558745.db2.gz LQTXPVSWDZWRSE-QWRGUYRKSA-N 1 0 251.330 1.805 20 5 CDBDRO [NH3+][C@H]1C[C@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001248317693 949011545 /nfs/dbraw/zinc/01/15/45/949011545.db2.gz SQBWTKYFGJLURK-KBTIHESUSA-N 1 0 279.231 1.384 20 5 CDBDRO CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC001324418603 953382271 /nfs/dbraw/zinc/38/22/71/953382271.db2.gz YGPXWDHCNLDYBD-VIFPVBQESA-N 1 0 265.317 1.224 20 5 CDBDRO C[C@@]1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]C1 ZINC001328491646 955310694 /nfs/dbraw/zinc/31/06/94/955310694.db2.gz HVYNPCAUPZREAR-CQSZACIVSA-N 1 0 275.308 1.437 20 5 CDBDRO COC(=O)c1cccc(OC[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001329281890 955797211 /nfs/dbraw/zinc/79/72/11/955797211.db2.gz JJMXDJSUURAAAP-JTQLQIEISA-N 1 0 294.307 1.760 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001307785589 956441298 /nfs/dbraw/zinc/44/12/98/956441298.db2.gz NOPKAJQUGYHBHW-RISCZKNCSA-N 1 0 291.351 1.739 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1NC ZINC001332173425 957465166 /nfs/dbraw/zinc/46/51/66/957465166.db2.gz IHNAWMOLRFUELI-SNVBAGLBSA-N 1 0 294.355 1.884 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001318672951 958223191 /nfs/dbraw/zinc/22/31/91/958223191.db2.gz VAPQVVGZUILOQE-VXGBXAGGSA-N 1 0 294.355 1.536 20 5 CDBDRO C[N@H+](CCO)CCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC001333992226 958750335 /nfs/dbraw/zinc/75/03/35/958750335.db2.gz MSSWDNJORJVROQ-UHFFFAOYSA-N 1 0 290.323 1.479 20 5 CDBDRO CC[N@H+](CCNc1c([N+](=O)[O-])cnn1C)C1CC1 ZINC001334142898 958880647 /nfs/dbraw/zinc/88/06/47/958880647.db2.gz VQEZOHXOGNPDFQ-UHFFFAOYSA-N 1 0 253.306 1.225 20 5 CDBDRO CC(C)[NH+]1CCC(Nc2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001336444845 960352131 /nfs/dbraw/zinc/35/21/31/960352131.db2.gz KEEQBOGXCPVFEN-UHFFFAOYSA-N 1 0 279.344 1.857 20 5 CDBDRO CC[C@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[NH+](C)C ZINC001322966889 960383599 /nfs/dbraw/zinc/38/35/99/960383599.db2.gz PMEPYZAXTJRPFT-CYBMUJFWSA-N 1 0 277.324 1.777 20 5 CDBDRO O=[N+]([O-])c1cc(CO)c(N[C@@H]2C[NH+]3CCC2CC3)cc1F ZINC001337316097 961107186 /nfs/dbraw/zinc/10/71/86/961107186.db2.gz ONJOOUNVMNVITO-CYBMUJFWSA-N 1 0 295.314 1.732 20 5 CDBDRO Nc1cc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ncc1[N+](=O)[O-] ZINC001337804187 961433510 /nfs/dbraw/zinc/43/35/10/961433510.db2.gz AKBYXOITGNCIRL-GHMZBOCLSA-N 1 0 277.328 1.611 20 5 CDBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001337799703 961433828 /nfs/dbraw/zinc/43/38/28/961433828.db2.gz USWXRQWJKHHETP-NSHDSACASA-N 1 0 293.371 1.962 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC001338293349 961732155 /nfs/dbraw/zinc/73/21/55/961732155.db2.gz HFKAODFAXDMVAJ-JTQLQIEISA-N 1 0 283.353 1.870 20 5 CDBDRO CC1(C)C[NH2+]C[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC001341468577 963427493 /nfs/dbraw/zinc/42/74/93/963427493.db2.gz YNDMCYSAMBUAMM-GFCCVEGCSA-N 1 0 293.323 1.088 20 5 CDBDRO CC[C@@]1(c2nc(CCC(C)(C)[N+](=O)[O-])no2)CC[NH2+]C1 ZINC001345957792 964870630 /nfs/dbraw/zinc/87/06/30/964870630.db2.gz OYBJOYMLZSPRDM-CYBMUJFWSA-N 1 0 282.344 1.699 20 5 CDBDRO C[NH2+]CCC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001358141927 969701418 /nfs/dbraw/zinc/70/14/18/969701418.db2.gz HQLUVEVMGHCZCX-VIFPVBQESA-N 1 0 251.286 1.382 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001522746174 970548225 /nfs/dbraw/zinc/54/82/25/970548225.db2.gz YSQSTHJKYOHTJW-NXEZZACHSA-N 1 0 265.313 1.628 20 5 CDBDRO Cc1c(OC(=O)[C@H]2C[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC001574119226 1170886079 /nfs/dbraw/zinc/88/60/79/1170886079.db2.gz NGHYCQDXNWNOCM-DTORHVGOSA-N 1 0 250.254 1.546 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001577119676 1171604588 /nfs/dbraw/zinc/60/45/88/1171604588.db2.gz NQDCZSCSTFPWFO-NSHDSACASA-N 1 0 293.323 1.411 20 5 CDBDRO C[NH2+]C[C@H](O)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC001578644686 1171970244 /nfs/dbraw/zinc/97/02/44/1171970244.db2.gz ILGJSAIAIBEIPL-GWCFXTLKSA-N 1 0 295.339 1.367 20 5 CDBDRO C[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000601034560 342460305 /nfs/dbraw/zinc/46/03/05/342460305.db2.gz CFHJELMXGIGHOU-VIFPVBQESA-N 1 0 295.314 1.946 20 5 CDBDRO O=[N+]([O-])c1ccc2nccc(NCC3(O)CCC3)c2c1 ZINC000601112862 342470640 /nfs/dbraw/zinc/47/06/40/342470640.db2.gz IHPVPTHIYWYXKH-UHFFFAOYSA-N 1 0 273.292 1.892 20 5 CDBDRO C[C@]1(O)CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000124441510 187138081 /nfs/dbraw/zinc/13/80/81/187138081.db2.gz QBPUNIHOAFOITE-AWEZNQCLSA-N 1 0 293.323 1.041 20 5 CDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601326729 342553817 /nfs/dbraw/zinc/55/38/17/342553817.db2.gz HFKHLZDXLRBPNJ-JSGCOSHPSA-N 1 0 291.351 1.928 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([NH2+]CCO)CC1 ZINC000601328107 342554264 /nfs/dbraw/zinc/55/42/64/342554264.db2.gz HDHGIFPIQCAFHO-GFCCVEGCSA-N 1 0 293.367 1.702 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CN1CCOc1ccccc1[N+](=O)[O-] ZINC000601330790 342554819 /nfs/dbraw/zinc/55/48/19/342554819.db2.gz XLYCYLMKEMEZHS-GHMZBOCLSA-N 1 0 265.313 1.395 20 5 CDBDRO CCC(C)(C)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000232885239 342033894 /nfs/dbraw/zinc/03/38/94/342033894.db2.gz LYKKRRUTJOMASY-LLVKDONJSA-N 1 0 270.333 1.178 20 5 CDBDRO CO[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000590760335 342592306 /nfs/dbraw/zinc/59/23/06/342592306.db2.gz NQNQTESMTHNSAP-ZIAGYGMSSA-N 1 0 296.323 1.055 20 5 CDBDRO Cc1cnc(N2CC[C@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])c1 ZINC000591437443 342631933 /nfs/dbraw/zinc/63/19/33/342631933.db2.gz HJOLNMLUAAXXFH-MNOVXSKESA-N 1 0 262.313 1.486 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000591448949 342632995 /nfs/dbraw/zinc/63/29/95/342632995.db2.gz RNNCACSLNGXHEA-OCCSQVGLSA-N 1 0 261.325 1.779 20 5 CDBDRO CC1(C)C[NH2+][C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000591669658 342641284 /nfs/dbraw/zinc/64/12/84/342641284.db2.gz UKORLGNNTBRBBW-LBPRGKRZSA-N 1 0 277.324 1.252 20 5 CDBDRO COc1cccc(C(=O)N2CC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000592294638 342683967 /nfs/dbraw/zinc/68/39/67/342683967.db2.gz VZPNSOYGAXWGFO-SECBINFHSA-N 1 0 279.296 1.024 20 5 CDBDRO CC(C)([NH3+])c1noc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)n1 ZINC000592170142 342671769 /nfs/dbraw/zinc/67/17/69/342671769.db2.gz HGCPTKKZSUKZLS-UHFFFAOYSA-N 1 0 292.299 1.294 20 5 CDBDRO CCOc1cc(OCC2C[NH2+]C2)ccc1[N+](=O)[O-] ZINC000592170821 342672035 /nfs/dbraw/zinc/67/20/35/342672035.db2.gz PIPBDMMPQBZBKL-UHFFFAOYSA-N 1 0 252.270 1.592 20 5 CDBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000592427563 342694699 /nfs/dbraw/zinc/69/46/99/342694699.db2.gz CFFWWVXDMVVQOG-AGLBCWCQSA-N 1 0 261.325 1.902 20 5 CDBDRO CC1([NH3+])CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000592484579 342695705 /nfs/dbraw/zinc/69/57/05/342695705.db2.gz FBHNOASKVAKWHQ-UHFFFAOYSA-N 1 0 279.340 1.787 20 5 CDBDRO Cc1n[nH]c(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c1[N+](=O)[O-] ZINC000592569103 342707602 /nfs/dbraw/zinc/70/76/02/342707602.db2.gz ZHIVMDPZELCDTE-VIFPVBQESA-N 1 0 293.327 1.031 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000592544920 342708638 /nfs/dbraw/zinc/70/86/38/342708638.db2.gz KBEHKCRIXDGFRJ-NEPJUHHUSA-N 1 0 289.335 1.727 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@]2(O)CCCOC2)cs1 ZINC000593690994 342823443 /nfs/dbraw/zinc/82/34/43/342823443.db2.gz GVLGSJWQQHGXQK-GFCCVEGCSA-N 1 0 286.353 1.678 20 5 CDBDRO CN(CC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000593516161 342805480 /nfs/dbraw/zinc/80/54/80/342805480.db2.gz MXAZGSKOKHUHHF-UHFFFAOYSA-N 1 0 264.329 1.912 20 5 CDBDRO C[C@@H](O)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594064189 342870007 /nfs/dbraw/zinc/87/00/07/342870007.db2.gz LGALRECWJMPDMK-LLVKDONJSA-N 1 0 264.325 1.983 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000127354657 342227051 /nfs/dbraw/zinc/22/70/51/342227051.db2.gz GCJBXAFDONYVEE-GFCCVEGCSA-N 1 0 294.355 1.571 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000594427875 342897253 /nfs/dbraw/zinc/89/72/53/342897253.db2.gz LMWFEFCLBYZNCN-HIFRSBDPSA-N 1 0 289.335 1.601 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCOCCO ZINC000594505599 342914827 /nfs/dbraw/zinc/91/48/27/342914827.db2.gz VNJAJBCSULNGHV-ZDUSSCGKSA-N 1 0 280.324 1.571 20 5 CDBDRO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000108347066 349736231 /nfs/dbraw/zinc/73/62/31/349736231.db2.gz SGZVTYZKKFMXGG-LBPRGKRZSA-N 1 0 291.351 1.975 20 5 CDBDRO [NH3+]C1(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000595230202 343009740 /nfs/dbraw/zinc/00/97/40/343009740.db2.gz MLZRORWFQRLWHD-UHFFFAOYSA-N 1 0 278.312 1.988 20 5 CDBDRO O=C(N[C@H]1CC[NH2+]C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000126109143 187218179 /nfs/dbraw/zinc/21/81/79/187218179.db2.gz ZXOZZMHTVWWILD-VIFPVBQESA-N 1 0 269.688 1.340 20 5 CDBDRO CC1(C)[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000404728487 349776888 /nfs/dbraw/zinc/77/68/88/349776888.db2.gz AHEWYOAHRNOSBS-QWHCGFSZSA-N 1 0 263.341 1.853 20 5 CDBDRO CC1(C)[C@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000595513547 343082616 /nfs/dbraw/zinc/08/26/16/343082616.db2.gz VRLRZPUVGUGZNB-NEPJUHHUSA-N 1 0 268.288 1.983 20 5 CDBDRO Cc1c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cccc1[N+](=O)[O-] ZINC000248599603 362065863 /nfs/dbraw/zinc/06/58/63/362065863.db2.gz IVQNYPOOGAOARB-DRZSPHRISA-N 1 0 289.335 1.713 20 5 CDBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000595765600 343145206 /nfs/dbraw/zinc/14/52/06/343145206.db2.gz LVKQLDJWPWDNAX-LBPRGKRZSA-N 1 0 265.313 1.535 20 5 CDBDRO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCC[N@@H+]1C ZINC000436918726 362122992 /nfs/dbraw/zinc/12/29/92/362122992.db2.gz JSTLVZCHRLITNW-CABZTGNLSA-N 1 0 293.323 1.513 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000595941486 343203920 /nfs/dbraw/zinc/20/39/20/343203920.db2.gz QIRPJBWYSOJVIU-DLOVCJGASA-N 1 0 277.324 1.818 20 5 CDBDRO Cc1ccc(NC(=O)[C@@H]2CCO[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000595925043 343193257 /nfs/dbraw/zinc/19/32/57/343193257.db2.gz TYWVNKARMLITFU-PWSUYJOCSA-N 1 0 279.296 1.206 20 5 CDBDRO C[NH+](C)CC(C)(C)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596261783 343278082 /nfs/dbraw/zinc/27/80/82/343278082.db2.gz VUCPOXCDURSUKJ-UHFFFAOYSA-N 1 0 280.328 1.446 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC(C[NH+](C)C)C1 ZINC000597708511 343606080 /nfs/dbraw/zinc/60/60/80/343606080.db2.gz NTYKFSSPAFATOF-UHFFFAOYSA-N 1 0 277.324 1.537 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[NH+](C)C ZINC000597999282 343685896 /nfs/dbraw/zinc/68/58/96/343685896.db2.gz RRAOBDMXYAWSHQ-JTQLQIEISA-N 1 0 295.339 1.673 20 5 CDBDRO [NH3+]CC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000128896249 362251174 /nfs/dbraw/zinc/25/11/74/362251174.db2.gz ZOJNJIJFDUTRNA-UHFFFAOYSA-N 1 0 281.287 1.545 20 5 CDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)CO ZINC000612077725 347004243 /nfs/dbraw/zinc/00/42/43/347004243.db2.gz KXDYZAMBMIMTLT-LLVKDONJSA-N 1 0 298.339 1.037 20 5 CDBDRO [NH3+][C@]12CCC[C@@H]1CN(CCOc1ccccc1[N+](=O)[O-])C2 ZINC000598684378 343864772 /nfs/dbraw/zinc/86/47/72/343864772.db2.gz WIEJLRAGOZFLMN-DOMZBBRYSA-N 1 0 291.351 1.787 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000598915729 343919536 /nfs/dbraw/zinc/91/95/36/343919536.db2.gz NHLWKHSWCAWYRO-LLVKDONJSA-N 1 0 282.275 1.593 20 5 CDBDRO CCC(CC)[NH2+]CCNc1ncc([N+](=O)[O-])cc1C ZINC000599098429 343954149 /nfs/dbraw/zinc/95/41/49/343954149.db2.gz UKQOURCRBGRLRI-UHFFFAOYSA-N 1 0 266.345 1.910 20 5 CDBDRO COc1cccc(NCC[N@@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000599176015 343966088 /nfs/dbraw/zinc/96/60/88/343966088.db2.gz OFRKNOSZBVDWPN-SNVBAGLBSA-N 1 0 281.312 1.082 20 5 CDBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000515416070 362312610 /nfs/dbraw/zinc/31/26/10/362312610.db2.gz HJAIADZJODKPAX-VIFPVBQESA-N 1 0 295.343 1.120 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1c(F)cccc1[N+](=O)[O-] ZINC000602429443 344422890 /nfs/dbraw/zinc/42/28/90/344422890.db2.gz DKOZAAVPPVWYQZ-VIFPVBQESA-N 1 0 281.287 1.463 20 5 CDBDRO CO[C@H]1C[NH2+][C@](C)(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000602431664 344423665 /nfs/dbraw/zinc/42/36/65/344423665.db2.gz IZMGVMQQLQPQNY-RISCZKNCSA-N 1 0 293.323 1.609 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602431189 344423867 /nfs/dbraw/zinc/42/38/67/344423867.db2.gz CQOCJIPOLILWJD-UWVGGRQHSA-N 1 0 295.314 1.933 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602430932 344423881 /nfs/dbraw/zinc/42/38/81/344423881.db2.gz AJATYQPFFYIIEY-UHFFFAOYSA-N 1 0 283.303 1.981 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602494728 344441434 /nfs/dbraw/zinc/44/14/34/344441434.db2.gz IYYOSHKXLAZRFL-QMMMGPOBSA-N 1 0 269.276 1.591 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000602512402 344459471 /nfs/dbraw/zinc/45/94/71/344459471.db2.gz YEZRAWYBGFEZOD-NXEZZACHSA-N 1 0 295.314 1.791 20 5 CDBDRO C[C@H]1COCCN1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602593638 344481398 /nfs/dbraw/zinc/48/13/98/344481398.db2.gz MAUHRZBPKQAKOF-ZDUSSCGKSA-N 1 0 293.367 1.448 20 5 CDBDRO C[C@@]1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCC(=O)N1 ZINC000602686718 344531401 /nfs/dbraw/zinc/53/14/01/344531401.db2.gz GXCCGKGYVMBUGU-AWEZNQCLSA-N 1 0 277.324 1.396 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000283532642 362482011 /nfs/dbraw/zinc/48/20/11/362482011.db2.gz XIKQYAZBMDHMCH-VHODGJRUSA-N 1 0 263.297 1.332 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCSC[C@H](C)C1 ZINC000602817307 344607399 /nfs/dbraw/zinc/60/73/99/344607399.db2.gz AJOKTUICTXILLQ-SNVBAGLBSA-N 1 0 284.385 1.785 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000602874252 344643320 /nfs/dbraw/zinc/64/33/20/344643320.db2.gz XRUKMUFOZFTLRO-RYUDHWBXSA-N 1 0 264.329 1.974 20 5 CDBDRO C[NH2+]C(C)(C)c1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000603186337 344727679 /nfs/dbraw/zinc/72/76/79/344727679.db2.gz GOJCHLDNJRVPAL-UHFFFAOYSA-N 1 0 275.312 1.689 20 5 CDBDRO CC[NH2+]Cc1cn(CCOc2ccccc2[N+](=O)[O-])nn1 ZINC000603200979 344733476 /nfs/dbraw/zinc/73/34/76/344733476.db2.gz LMFCXNOOCRLQGJ-UHFFFAOYSA-N 1 0 291.311 1.375 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000128577060 344684532 /nfs/dbraw/zinc/68/45/32/344684532.db2.gz QZLIJXDBHVLLNV-TVQRCGJNSA-N 1 0 299.758 1.796 20 5 CDBDRO COC[C@@H](CO)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000603436428 344808705 /nfs/dbraw/zinc/80/87/05/344808705.db2.gz YIQDTDHAEODLIY-TUOYRWMMSA-N 1 0 280.324 1.595 20 5 CDBDRO Cc1ccc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000319980178 345052144 /nfs/dbraw/zinc/05/21/44/345052144.db2.gz DMMBYPHEGUZDDN-NXEZZACHSA-N 1 0 265.313 1.759 20 5 CDBDRO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cs1 ZINC000344080347 362542973 /nfs/dbraw/zinc/54/29/73/362542973.db2.gz ZBCMXDTUYYBBJA-AXFHLTTASA-N 1 0 268.338 1.859 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344242870 362558445 /nfs/dbraw/zinc/55/84/45/362558445.db2.gz PCSZIJZHWKSUKW-LBPRGKRZSA-N 1 0 295.314 1.948 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293421589 362559885 /nfs/dbraw/zinc/55/98/85/362559885.db2.gz NSZFUWSREGFQOW-NOZJJQNGSA-N 1 0 290.323 1.001 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000128856210 345178753 /nfs/dbraw/zinc/17/87/53/345178753.db2.gz JJXAQIWKGWKRKX-ZDUSSCGKSA-N 1 0 280.328 1.053 20 5 CDBDRO COC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000052279200 345237957 /nfs/dbraw/zinc/23/79/57/345237957.db2.gz NTHJBSDSDYMFPT-UHFFFAOYSA-N 1 0 293.323 1.787 20 5 CDBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000080657107 345618588 /nfs/dbraw/zinc/61/85/88/345618588.db2.gz GFASDCALPSCLGJ-LOWVWBTDSA-N 1 0 282.344 1.273 20 5 CDBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000074324413 345681970 /nfs/dbraw/zinc/68/19/70/345681970.db2.gz UAIYCJBWBVHHTO-LLVKDONJSA-N 1 0 293.323 1.298 20 5 CDBDRO CO[C@@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CCOC1 ZINC000160308081 345793712 /nfs/dbraw/zinc/79/37/12/345793712.db2.gz SHJUIFIPTJCFQF-CQSZACIVSA-N 1 0 280.324 1.798 20 5 CDBDRO Cc1ccnc(N2CC[C@H](OCC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000610764450 346399081 /nfs/dbraw/zinc/39/90/81/346399081.db2.gz OSWOMRVVSHPYCJ-LBPRGKRZSA-N 1 0 294.355 1.455 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(c3cccnc3[N+](=O)[O-])CC[C@H]21 ZINC000610807976 346444084 /nfs/dbraw/zinc/44/40/84/346444084.db2.gz CTXAOSALTMJVAI-NWDGAFQWSA-N 1 0 276.340 1.910 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])cn2)C[C@H]1C ZINC000611221648 346695588 /nfs/dbraw/zinc/69/55/88/346695588.db2.gz DSLKLALCLWDTBI-GHMZBOCLSA-N 1 0 264.329 1.909 20 5 CDBDRO COc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])ccc1[N+](=O)[O-] ZINC000128482391 187373163 /nfs/dbraw/zinc/37/31/63/187373163.db2.gz YUYMLDZDRRRMHF-GHMZBOCLSA-N 1 0 293.323 1.603 20 5 CDBDRO COc1ccc(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000086467866 179299272 /nfs/dbraw/zinc/29/92/72/179299272.db2.gz PQSMLUVVHGSMFN-NXEZZACHSA-N 1 0 293.323 1.426 20 5 CDBDRO C[C@@H](O)C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128712610 187386303 /nfs/dbraw/zinc/38/63/03/187386303.db2.gz FOHWTMWOWMJUHJ-SECBINFHSA-N 1 0 299.302 1.375 20 5 CDBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1F)N1CC[NH+](C)CC1 ZINC000057838104 348848387 /nfs/dbraw/zinc/84/83/87/348848387.db2.gz CAAVOUVASXERLG-NSHDSACASA-N 1 0 296.346 1.782 20 5 CDBDRO C[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000291668054 198057007 /nfs/dbraw/zinc/05/70/07/198057007.db2.gz DFAPVKPEPOBDRK-VIFPVBQESA-N 1 0 252.318 1.787 20 5 CDBDRO CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000163543150 366072236 /nfs/dbraw/zinc/07/22/36/366072236.db2.gz LESZHOZQUGTTIB-SNVBAGLBSA-N 1 0 286.353 1.680 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC3(CCC3)C2)c1 ZINC000123220292 187078664 /nfs/dbraw/zinc/07/86/64/187078664.db2.gz MZMLTEOJZPOVLZ-UHFFFAOYSA-N 1 0 250.302 1.667 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C)C[NH+](C)C ZINC000291964002 198118547 /nfs/dbraw/zinc/11/85/47/198118547.db2.gz VLZIKZPURAHQLZ-VIFPVBQESA-N 1 0 252.318 1.908 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000130869223 187525542 /nfs/dbraw/zinc/52/55/42/187525542.db2.gz LOMXRABRZASAIB-AWEZNQCLSA-N 1 0 291.351 1.867 20 5 CDBDRO C[NH+](C)C(C)(C)CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000131864646 187592411 /nfs/dbraw/zinc/59/24/11/187592411.db2.gz ACBNEQHRTZQZTA-UHFFFAOYSA-N 1 0 283.303 1.804 20 5 CDBDRO COc1ccc(NC(=O)[C@@H]2CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000136478178 363111824 /nfs/dbraw/zinc/11/18/24/363111824.db2.gz XKVOPOZDGMJBSH-WCBMZHEXSA-N 1 0 279.296 1.540 20 5 CDBDRO Cc1ccoc1C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000292060149 198148553 /nfs/dbraw/zinc/14/85/53/198148553.db2.gz BOHRVFBDLCGPTP-UHFFFAOYSA-N 1 0 264.285 1.825 20 5 CDBDRO NC(=O)[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000154991454 188175304 /nfs/dbraw/zinc/17/53/04/188175304.db2.gz ONPGWHUSIUJENJ-VUUYWXRKSA-N 1 0 289.335 1.805 20 5 CDBDRO C[C@@H](O)C[C@H]1COCCN1Cc1ccccc1[N+](=O)[O-] ZINC000157282654 188308067 /nfs/dbraw/zinc/30/80/67/188308067.db2.gz FIHNZNGXTTVEOU-YPMHNXCESA-N 1 0 280.324 1.567 20 5 CDBDRO C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000036976517 363303058 /nfs/dbraw/zinc/30/30/58/363303058.db2.gz FFLFGSXXJICYPW-MFKMUULPSA-N 1 0 277.324 1.914 20 5 CDBDRO CCc1n[nH]c(C(=O)NCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000170685259 188683056 /nfs/dbraw/zinc/68/30/56/188683056.db2.gz OLSMQCXHWQGBTC-UHFFFAOYSA-N 1 0 295.343 1.096 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000063192923 363375875 /nfs/dbraw/zinc/37/58/75/363375875.db2.gz OIOZEQNXEGWOHG-MWLCHTKSSA-N 1 0 280.328 1.275 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)c1 ZINC000411988212 363396385 /nfs/dbraw/zinc/39/63/85/363396385.db2.gz GQNAZLBJJHRUQI-OCCSQVGLSA-N 1 0 280.324 1.472 20 5 CDBDRO Cc1c(NC(=O)[C@H](C)[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000295718990 199633537 /nfs/dbraw/zinc/63/35/37/199633537.db2.gz NJKAJCUUGJMYBC-VIFPVBQESA-N 1 0 263.297 1.982 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000286020091 356202382 /nfs/dbraw/zinc/20/23/82/356202382.db2.gz FTBCZYQXDOLDKP-LLVKDONJSA-N 1 0 297.330 1.993 20 5 CDBDRO CC(C)(CN1CCOCC1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000308639263 356330139 /nfs/dbraw/zinc/33/01/39/356330139.db2.gz IEXDZFRSIMRNCZ-UHFFFAOYSA-N 1 0 293.367 1.795 20 5 CDBDRO COCCN(CCO)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000134763997 356392198 /nfs/dbraw/zinc/39/21/98/356392198.db2.gz VPBQRWJVQIUSRU-UHFFFAOYSA-N 1 0 288.731 1.689 20 5 CDBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])cn1 ZINC000273659663 192249919 /nfs/dbraw/zinc/24/99/19/192249919.db2.gz VVBZDHICHWPFSN-QWRGUYRKSA-N 1 0 279.344 1.917 20 5 CDBDRO CNC(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963810 357226385 /nfs/dbraw/zinc/22/63/85/357226385.db2.gz WCLSIMITMYBGQK-UHFFFAOYSA-N 1 0 271.704 1.474 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1-n1ccnc1 ZINC000341366887 357239377 /nfs/dbraw/zinc/23/93/77/357239377.db2.gz WOCSTMDGBWOMBZ-UHFFFAOYSA-N 1 0 261.237 1.876 20 5 CDBDRO Cc1ccc(NC(=O)/C=C/C[NH+](C)C)cc1[N+](=O)[O-] ZINC000264602693 357443079 /nfs/dbraw/zinc/44/30/79/357443079.db2.gz FCVNXVSVYOSFJW-SNAWJCMRSA-N 1 0 263.297 1.960 20 5 CDBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000566247832 357439938 /nfs/dbraw/zinc/43/99/38/357439938.db2.gz WBZIDCIYLRGKCY-MFKMUULPSA-N 1 0 291.351 1.944 20 5 CDBDRO C[C@](C[NH3+])(NC(=O)Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000135231047 357799435 /nfs/dbraw/zinc/79/94/35/357799435.db2.gz NILNIGUYLJSVQU-CQSZACIVSA-N 1 0 277.324 1.381 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000135242065 357802613 /nfs/dbraw/zinc/80/26/13/357802613.db2.gz KWVAOGKFNCCXOO-OLZOCXBDSA-N 1 0 289.335 1.490 20 5 CDBDRO CSC[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000188217891 357860966 /nfs/dbraw/zinc/86/09/66/357860966.db2.gz AEJMJBCGNPJMSR-BXKDBHETSA-N 1 0 270.354 1.969 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000189685195 358035644 /nfs/dbraw/zinc/03/56/44/358035644.db2.gz KGNSFVPWZBXRMP-MRVPVSSYSA-N 1 0 256.331 1.805 20 5 CDBDRO COc1ccc(C(=O)N[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000286904013 358026192 /nfs/dbraw/zinc/02/61/92/358026192.db2.gz HDBYIMIIUMALRD-VIFPVBQESA-N 1 0 281.312 1.283 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000361355005 358165762 /nfs/dbraw/zinc/16/57/62/358165762.db2.gz GNXFUMYUDYRJEU-LLVKDONJSA-N 1 0 266.297 1.694 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000193621295 358309494 /nfs/dbraw/zinc/30/94/94/358309494.db2.gz NQLUFYRUWDYWBD-ZANVPECISA-N 1 0 293.323 1.218 20 5 CDBDRO COC(=O)COC[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000295759887 358526144 /nfs/dbraw/zinc/52/61/44/358526144.db2.gz QBQCUOOIQFSNEO-LLVKDONJSA-N 1 0 296.323 1.305 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[NH2+]C ZINC000595232114 358639141 /nfs/dbraw/zinc/63/91/41/358639141.db2.gz ULOTZNBIVZEAHK-VIFPVBQESA-N 1 0 296.327 1.723 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000186753576 358821594 /nfs/dbraw/zinc/82/15/94/358821594.db2.gz WYCCYXQRCXKSAO-CABZTGNLSA-N 1 0 277.324 1.631 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000264955869 358795117 /nfs/dbraw/zinc/79/51/17/358795117.db2.gz MCQUPOQMTXJTQL-JTQLQIEISA-N 1 0 250.302 1.378 20 5 CDBDRO C[C@H](CNc1ncc([N+](=O)[O-])cn1)[N@H+](C)C1CC1 ZINC000230873370 358796505 /nfs/dbraw/zinc/79/65/05/358796505.db2.gz VXPJAVPROMHVIK-MRVPVSSYSA-N 1 0 251.290 1.279 20 5 CDBDRO Cc1nc(N2CCC([NH+]3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000450262271 358882215 /nfs/dbraw/zinc/88/22/15/358882215.db2.gz RTTZIQJWEMLWNH-UHFFFAOYSA-N 1 0 291.355 1.758 20 5 CDBDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000219037107 359020702 /nfs/dbraw/zinc/02/07/02/359020702.db2.gz WHYOKEJWBPGPBJ-APPZFPTMSA-N 1 0 276.383 1.858 20 5 CDBDRO C[NH+](C)C1CCN(CCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000267220688 359028158 /nfs/dbraw/zinc/02/81/58/359028158.db2.gz SRBICNJQKBFZHB-UHFFFAOYSA-N 1 0 293.371 1.428 20 5 CDBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000057719539 359066563 /nfs/dbraw/zinc/06/65/63/359066563.db2.gz FCPXYPVAJAGPPB-LLVKDONJSA-N 1 0 291.351 1.736 20 5 CDBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000287927338 359139454 /nfs/dbraw/zinc/13/94/54/359139454.db2.gz WYBRYBQZFDTAMK-TXEJJXNPSA-N 1 0 289.335 1.795 20 5 CDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000050162347 359352530 /nfs/dbraw/zinc/35/25/30/359352530.db2.gz SWXKRWZMTCVSGA-RKDXNWHRSA-N 1 0 266.301 1.041 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](CC3CC3)C2)n1 ZINC000339674436 359426452 /nfs/dbraw/zinc/42/64/52/359426452.db2.gz OXXGTESERSTWNC-LBPRGKRZSA-N 1 0 264.329 1.913 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000050241729 359408084 /nfs/dbraw/zinc/40/80/84/359408084.db2.gz HMLARFYMYBPUIY-MRVPVSSYSA-N 1 0 250.258 1.160 20 5 CDBDRO Cc1nc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000297347216 200156952 /nfs/dbraw/zinc/15/69/52/200156952.db2.gz BGHODWHGBIGQGT-MNOVXSKESA-N 1 0 279.344 1.978 20 5 CDBDRO [NH3+]C[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CCO1 ZINC000165797193 283487718 /nfs/dbraw/zinc/48/77/18/283487718.db2.gz QTGOZDDKPCWBEV-SNVBAGLBSA-N 1 0 288.307 1.307 20 5 CDBDRO C[C@@H](C(=O)NC[C@H](C)[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000347849791 359861225 /nfs/dbraw/zinc/86/12/25/359861225.db2.gz NJUSFIBWMPOXON-VHSXEESVSA-N 1 0 297.330 1.904 20 5 CDBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCCC1 ZINC000075675156 359914346 /nfs/dbraw/zinc/91/43/46/359914346.db2.gz DXTWMCCHCBEUHV-ZDUSSCGKSA-N 1 0 282.344 1.274 20 5 CDBDRO CCNC(=O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000228330309 360034112 /nfs/dbraw/zinc/03/41/12/360034112.db2.gz YZRAYMAJLPJVKE-JTQLQIEISA-N 1 0 265.313 1.772 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](O)COc1ccc(F)cc1[N+](=O)[O-] ZINC000383779304 360083619 /nfs/dbraw/zinc/08/36/19/360083619.db2.gz ABARJGMUBXABPY-LLVKDONJSA-N 1 0 286.303 1.814 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000135882925 360138799 /nfs/dbraw/zinc/13/87/99/360138799.db2.gz QARMGCYRKPACSB-MNOVXSKESA-N 1 0 277.324 1.713 20 5 CDBDRO Cc1ccc(C(=O)NCC2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000169265534 360173498 /nfs/dbraw/zinc/17/34/98/360173498.db2.gz RFBMHRZNFMOZMI-UHFFFAOYSA-N 1 0 275.308 1.553 20 5 CDBDRO [NH3+]C1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000148074003 360701604 /nfs/dbraw/zinc/70/16/04/360701604.db2.gz FMTPLFXMXJZXLS-UHFFFAOYSA-N 1 0 263.297 1.135 20 5 CDBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000168123530 360887895 /nfs/dbraw/zinc/88/78/95/360887895.db2.gz AJFNOAKYDPCWHL-UHFFFAOYSA-N 1 0 297.742 1.864 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000229822580 360929340 /nfs/dbraw/zinc/92/93/40/360929340.db2.gz FLPUGKLQFTUHHX-FPLPWBNLSA-N 1 0 289.335 1.772 20 5 CDBDRO C[C@@]1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCC(=O)N1 ZINC000572497172 360980025 /nfs/dbraw/zinc/98/00/25/360980025.db2.gz FHKYHZWEBTUXBL-WFASDCNBSA-N 1 0 289.335 1.840 20 5 CDBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000345509745 361081073 /nfs/dbraw/zinc/08/10/73/361081073.db2.gz VMNGZCOZSBCDCY-NSHDSACASA-N 1 0 296.371 1.784 20 5 CDBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)[NH2+]1 ZINC000070076508 361239163 /nfs/dbraw/zinc/23/91/63/361239163.db2.gz RYEPPSAHHLLEHE-GHMZBOCLSA-N 1 0 277.324 1.346 20 5 CDBDRO C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000035121574 361265375 /nfs/dbraw/zinc/26/53/75/361265375.db2.gz SFSSVVZBZKAGGD-UHFFFAOYSA-N 1 0 277.284 1.637 20 5 CDBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000305236114 239388541 /nfs/dbraw/zinc/38/85/41/239388541.db2.gz XHEGUUQJKPEKTA-MNOVXSKESA-N 1 0 268.317 1.027 20 5 CDBDRO C[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000037985894 364013058 /nfs/dbraw/zinc/01/30/58/364013058.db2.gz VLBXLGPTKGKKQX-QMMMGPOBSA-N 1 0 266.301 1.056 20 5 CDBDRO COc1ccc(C[NH2+][C@@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000168183538 364048194 /nfs/dbraw/zinc/04/81/94/364048194.db2.gz OKHUUTDNDSAQQC-ZRNGKTOUSA-N 1 0 286.353 1.460 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000268152333 364369427 /nfs/dbraw/zinc/36/94/27/364369427.db2.gz MYDWIOGWVOJPOV-SCZZXKLOSA-N 1 0 265.317 1.223 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268199325 364445342 /nfs/dbraw/zinc/44/53/42/364445342.db2.gz OJIVUHPFYIYKLB-QMTHXVAHSA-N 1 0 289.335 1.807 20 5 CDBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249402247 364676281 /nfs/dbraw/zinc/67/62/81/364676281.db2.gz CHYWFAMWGGLKNO-CYZMBNFOSA-N 1 0 282.344 1.273 20 5 CDBDRO C[C@](O)(C[NH2+]Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000270456408 366882708 /nfs/dbraw/zinc/88/27/08/366882708.db2.gz DPYQHXOUZWKNRW-JTQLQIEISA-N 1 0 278.230 1.998 20 5 CDBDRO COc1cccc(C(=O)NCC2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000563951835 365344949 /nfs/dbraw/zinc/34/49/49/365344949.db2.gz SSBLKUIAWQHEJY-UHFFFAOYSA-N 1 0 293.323 1.333 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000459748570 366933248 /nfs/dbraw/zinc/93/32/48/366933248.db2.gz DYGCUCJWQJRBHM-OSAQELSMSA-N 1 0 294.351 1.919 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCSCC2)c1 ZINC000089980799 366999811 /nfs/dbraw/zinc/99/98/11/366999811.db2.gz QWRRJJIQUZJERG-UHFFFAOYSA-N 1 0 256.331 1.230 20 5 CDBDRO Cc1c(NC(=O)N[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000414715200 241348068 /nfs/dbraw/zinc/34/80/68/241348068.db2.gz WCWUFFDMXFQOQA-VIFPVBQESA-N 1 0 264.285 1.387 20 5 CDBDRO Cc1cccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000161176024 367473161 /nfs/dbraw/zinc/47/31/61/367473161.db2.gz BHZVALCRUSKMMV-WDEREUQCSA-N 1 0 277.324 1.903 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCC[C@@H]2OC(F)F)n1 ZINC000348520245 367456330 /nfs/dbraw/zinc/45/63/30/367456330.db2.gz ISRQITHAIBJYIY-IUCAKERBSA-N 1 0 290.270 1.541 20 5 CDBDRO C[NH2+]CCN(C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417148008 242336419 /nfs/dbraw/zinc/33/64/19/242336419.db2.gz ZZURRFAVTSEMLE-SNVBAGLBSA-N 1 0 280.328 1.517 20 5 CDBDRO CC1(C)CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000330543311 202947552 /nfs/dbraw/zinc/94/75/52/202947552.db2.gz YVILXKGKEZLVBR-GFCCVEGCSA-N 1 0 282.344 1.274 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C)C[C@@H]1C ZINC000330676325 203106322 /nfs/dbraw/zinc/10/63/22/203106322.db2.gz UDFGWPBOWRZDAM-NSHDSACASA-N 1 0 279.340 1.739 20 5 CDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@@H](C)C1 ZINC000420334577 244102365 /nfs/dbraw/zinc/10/23/65/244102365.db2.gz IZHUMQMHIXXBPV-WDEREUQCSA-N 1 0 292.339 1.216 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000037646934 369495680 /nfs/dbraw/zinc/49/56/80/369495680.db2.gz VDBNTTJWZRWQAB-SECBINFHSA-N 1 0 297.742 1.930 20 5 CDBDRO Cc1ccc(C(=O)N[C@@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000295299353 369894054 /nfs/dbraw/zinc/89/40/54/369894054.db2.gz UZPMEJOZKQDSPW-JTQLQIEISA-N 1 0 265.313 1.760 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+]CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000037740638 370037879 /nfs/dbraw/zinc/03/78/79/370037879.db2.gz PGEHPOIGQOUENN-JTQLQIEISA-N 1 0 286.353 1.598 20 5 CDBDRO CC[NH2+]CC1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000129916789 370278246 /nfs/dbraw/zinc/27/82/46/370278246.db2.gz UYMRVUIRMWAXMG-UHFFFAOYSA-N 1 0 294.355 1.395 20 5 CDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000367791471 370469919 /nfs/dbraw/zinc/46/99/19/370469919.db2.gz JKCVYLFYXGVUDL-RYUDHWBXSA-N 1 0 293.371 1.387 20 5 CDBDRO CC[C@@H](CO)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000295601922 370515836 /nfs/dbraw/zinc/51/58/36/370515836.db2.gz CKDFKSOQBKGSKY-RYUDHWBXSA-N 1 0 298.339 1.037 20 5 CDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C(N)=O ZINC000295668814 370558355 /nfs/dbraw/zinc/55/83/55/370558355.db2.gz JAWXLUWGFBJUBN-UHFFFAOYSA-N 1 0 265.313 1.333 20 5 CDBDRO Cc1nc(N2CC[NH+](CC3CC3)CC2)ncc1[N+](=O)[O-] ZINC000295607944 370521057 /nfs/dbraw/zinc/52/10/57/370521057.db2.gz VBZFSOQEESRCCZ-UHFFFAOYSA-N 1 0 277.328 1.225 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000422736284 245194315 /nfs/dbraw/zinc/19/43/15/245194315.db2.gz VUHONMJHXLROFM-LLVKDONJSA-N 1 0 277.324 1.693 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269667608 373551117 /nfs/dbraw/zinc/55/11/17/373551117.db2.gz SYWJFCUPOYOFKZ-LSDHHAIUSA-N 1 0 293.367 1.654 20 5 CDBDRO Cc1ccc(S(=O)(=O)N(C)C2CC([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420459104 374295632 /nfs/dbraw/zinc/29/56/32/374295632.db2.gz DBCUCTSEQVMARJ-UHFFFAOYSA-N 1 0 299.352 1.013 20 5 CDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000368622961 374322264 /nfs/dbraw/zinc/32/22/64/374322264.db2.gz ITBRJQLRRXWJIQ-GXTWGEPZSA-N 1 0 293.371 1.350 20 5 CDBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000066947559 374374434 /nfs/dbraw/zinc/37/44/34/374374434.db2.gz IFDXAJOSUGBBGP-SNVBAGLBSA-N 1 0 281.312 1.744 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000423857772 246149970 /nfs/dbraw/zinc/14/99/70/246149970.db2.gz ZCOXFEDPJSHJDL-SNVBAGLBSA-N 1 0 297.742 1.864 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC1C[NH2+]C1 ZINC000423478848 374383003 /nfs/dbraw/zinc/38/30/03/374383003.db2.gz NBEHTMZAEGBAQV-UHFFFAOYSA-N 1 0 277.324 1.469 20 5 CDBDRO C[C@@H](NC[C@H]1C[NH2+]CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000423500866 374385114 /nfs/dbraw/zinc/38/51/14/374385114.db2.gz DCIACILLTGYZSC-BXUZGUMPSA-N 1 0 279.340 1.624 20 5 CDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000423511585 374387362 /nfs/dbraw/zinc/38/73/62/374387362.db2.gz NPWZUKBQRMEERD-SNVBAGLBSA-N 1 0 295.343 1.025 20 5 CDBDRO COc1cccc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000423530041 374388598 /nfs/dbraw/zinc/38/85/98/374388598.db2.gz PBGDADHACNCTQQ-NXEZZACHSA-N 1 0 293.323 1.413 20 5 CDBDRO COc1cccc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000423530044 374388659 /nfs/dbraw/zinc/38/86/59/374388659.db2.gz PBGDADHACNCTQQ-ZJUUUORDSA-N 1 0 293.323 1.413 20 5 CDBDRO CC(C)[C@@H](CCO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000274638252 374678761 /nfs/dbraw/zinc/67/87/61/374678761.db2.gz YIHIEARDUBDYIY-KGLIPLIRSA-N 1 0 282.340 1.625 20 5 CDBDRO C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000154766930 374747631 /nfs/dbraw/zinc/74/76/31/374747631.db2.gz KBHOOURRFCDWEG-TVQRCGJNSA-N 1 0 283.303 1.865 20 5 CDBDRO CC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)COC1 ZINC000447536826 374703512 /nfs/dbraw/zinc/70/35/12/374703512.db2.gz QHVRAGQJHXCPPL-NEPJUHHUSA-N 1 0 294.355 1.901 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(N3CCOCC3)CC2)cs1 ZINC000277430118 374787813 /nfs/dbraw/zinc/78/78/13/374787813.db2.gz CAJKWOKPCQAHTQ-UHFFFAOYSA-N 1 0 297.380 1.611 20 5 CDBDRO O=C(NCC[N@H+]1CC=CCC1)c1ccccc1[N+](=O)[O-] ZINC000280268220 374988158 /nfs/dbraw/zinc/98/81/58/374988158.db2.gz PCFKCACGQGAHMF-UHFFFAOYSA-N 1 0 275.308 1.587 20 5 CDBDRO Nc1ccc([N+](=O)[O-])c(NCC[NH+]2CCSCC2)c1 ZINC000282323497 375079336 /nfs/dbraw/zinc/07/93/36/375079336.db2.gz ZXMYWUCZSBPIGB-UHFFFAOYSA-N 1 0 282.369 1.638 20 5 CDBDRO COc1ccc(C[NH2+]CC2([S@@](C)=O)CC2)cc1[N+](=O)[O-] ZINC000282359609 375081496 /nfs/dbraw/zinc/08/14/96/375081496.db2.gz NGAGUOAVHBDFKE-HXUWFJFHSA-N 1 0 298.364 1.604 20 5 CDBDRO C[S@@](=O)C1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000282453804 375085405 /nfs/dbraw/zinc/08/54/05/375085405.db2.gz SQBWWINOZAOTQR-QGZVFWFLSA-N 1 0 274.367 1.657 20 5 CDBDRO CC(C)(C)[NH2+]CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000016473601 375130246 /nfs/dbraw/zinc/13/02/46/375130246.db2.gz KPKXXVVOZWIBJR-UHFFFAOYSA-N 1 0 251.286 1.921 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CCn1cccc([N+](=O)[O-])c1=O ZINC000283777299 375123754 /nfs/dbraw/zinc/12/37/54/375123754.db2.gz CTSTYWRDIQUDAI-LLVKDONJSA-N 1 0 265.313 1.631 20 5 CDBDRO Cc1nn(C)c(N(C)CC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000302521512 375212898 /nfs/dbraw/zinc/21/28/98/375212898.db2.gz XXAGNPVWSIEHRV-UHFFFAOYSA-N 1 0 281.360 1.557 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000296275589 375295944 /nfs/dbraw/zinc/29/59/44/375295944.db2.gz HAEMVDQXWASPQR-JTQLQIEISA-N 1 0 265.317 1.589 20 5 CDBDRO C[NH+]1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000057005800 375392590 /nfs/dbraw/zinc/39/25/90/375392590.db2.gz SISXITKIHGQEKD-UHFFFAOYSA-N 1 0 292.339 1.488 20 5 CDBDRO C[NH+]1CCC(NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000131750561 375334366 /nfs/dbraw/zinc/33/43/66/375334366.db2.gz OZYCCDJVUHKBGQ-UHFFFAOYSA-N 1 0 281.287 1.558 20 5 CDBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000352889764 375550224 /nfs/dbraw/zinc/55/02/24/375550224.db2.gz ZBHPIBNGLKSSCH-STQMWFEESA-N 1 0 296.371 1.807 20 5 CDBDRO CC(C)[C@@H](CNc1c([N+](=O)[O-])ncn1C)[NH+]1CCCC1 ZINC000353348101 375599665 /nfs/dbraw/zinc/59/96/65/375599665.db2.gz PBKBOKPUPNBEGW-LLVKDONJSA-N 1 0 281.360 1.861 20 5 CDBDRO CCC[C@@H]([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000353445435 375609751 /nfs/dbraw/zinc/60/97/51/375609751.db2.gz WTONOJXDIQAYPY-LLVKDONJSA-N 1 0 281.312 1.347 20 5 CDBDRO COc1ccc(C[NH2+]C[C@]2(O)CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000227971052 375659640 /nfs/dbraw/zinc/65/96/40/375659640.db2.gz UTSLKGFMKPZJHX-IINYFYTJSA-N 1 0 296.323 1.233 20 5 CDBDRO Cc1nc(N2C[C@H](C[NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000228084581 375687935 /nfs/dbraw/zinc/68/79/35/375687935.db2.gz VZVYWZLMCKFJSK-SCZZXKLOSA-N 1 0 250.302 1.472 20 5 CDBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cn1)[N@@H+]1CCCC[C@@H]1C ZINC000354512432 375720942 /nfs/dbraw/zinc/72/09/42/375720942.db2.gz SPKYNTYSWFXRHN-QWRGUYRKSA-N 1 0 279.344 1.482 20 5 CDBDRO COc1ccc(CN(C)[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000160111119 375733658 /nfs/dbraw/zinc/73/36/58/375733658.db2.gz TVYTZERQWVJGHD-CYBMUJFWSA-N 1 0 279.340 1.773 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428722564 247355222 /nfs/dbraw/zinc/35/52/22/247355222.db2.gz PZZBLQDEOISRHE-GXSJLCMTSA-N 1 0 286.282 1.805 20 5 CDBDRO COC[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000358323737 375960313 /nfs/dbraw/zinc/96/03/13/375960313.db2.gz BMLNDGKXVWVCKV-MNOVXSKESA-N 1 0 295.339 1.936 20 5 CDBDRO Cc1c([C@H](C)[NH2+]C[C@H](O)[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000358047829 375948475 /nfs/dbraw/zinc/94/84/75/375948475.db2.gz OIUXYSXWXFPFTK-ZOWXZIJZSA-N 1 0 294.351 1.951 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000307913128 376318399 /nfs/dbraw/zinc/31/83/99/376318399.db2.gz KSTUXTTXJNFSGM-LBPRGKRZSA-N 1 0 277.324 1.394 20 5 CDBDRO Cc1nc(NCC[NH+]2CCCCCC2)ncc1[N+](=O)[O-] ZINC000296630728 376613832 /nfs/dbraw/zinc/61/38/32/376613832.db2.gz VQUFYXISDXZDIA-UHFFFAOYSA-N 1 0 279.344 1.981 20 5 CDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCC1=CC[NH2+]CC1 ZINC000189293310 377227456 /nfs/dbraw/zinc/22/74/56/377227456.db2.gz IELONOVNRYWFLY-AATRIKPKSA-N 1 0 287.319 1.644 20 5 CDBDRO CCOC[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296680728 377206912 /nfs/dbraw/zinc/20/69/12/377206912.db2.gz IFEOGURAELNHDQ-GWCFXTLKSA-N 1 0 268.313 1.643 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000232740926 377415308 /nfs/dbraw/zinc/41/53/08/377415308.db2.gz BZOQRPPLPZNKOV-LBPRGKRZSA-N 1 0 293.323 1.610 20 5 CDBDRO Cc1nn(C)c(N2CC[C@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000571862837 377568913 /nfs/dbraw/zinc/56/89/13/377568913.db2.gz SYAKJUSQRBGPIA-CQSZACIVSA-N 1 0 293.371 1.559 20 5 CDBDRO C[NH+]1C[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000347697814 377855961 /nfs/dbraw/zinc/85/59/61/377855961.db2.gz RFQZJIYIBJADPV-QWRGUYRKSA-N 1 0 293.298 1.368 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417764678 378651919 /nfs/dbraw/zinc/65/19/19/378651919.db2.gz MTBZHGILYOPYBL-LBPRGKRZSA-N 1 0 294.355 1.420 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000278518008 194023169 /nfs/dbraw/zinc/02/31/69/194023169.db2.gz XPYWMSYMUANGNN-CQSZACIVSA-N 1 0 289.335 1.838 20 5 CDBDRO C[NH+](C)CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000442672818 249937960 /nfs/dbraw/zinc/93/79/60/249937960.db2.gz ROOVCVYKTRFPDU-CYBMUJFWSA-N 1 0 295.364 1.730 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444144240 250087870 /nfs/dbraw/zinc/08/78/70/250087870.db2.gz VAKANAHYOGJWCZ-SWLSCSKDSA-N 1 0 289.335 1.553 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCOC3)nc2c1 ZINC000278661838 194090862 /nfs/dbraw/zinc/09/08/62/194090862.db2.gz KRNVMZOSILKOGE-QMMMGPOBSA-N 1 0 262.269 1.350 20 5 CDBDRO COc1ccc(C(=O)N2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000041028664 379243592 /nfs/dbraw/zinc/24/35/92/379243592.db2.gz RIBCLGXACRJLHL-SNVBAGLBSA-N 1 0 279.296 1.167 20 5 CDBDRO O=[N+]([O-])c1cc(CN2C[C@H]3CC[NH2+]C[C@H]32)cs1 ZINC001580874553 1172557534 /nfs/dbraw/zinc/55/75/34/1172557534.db2.gz AWNVUWUMFDACDX-NXEZZACHSA-N 1 0 253.327 1.450 20 5 CDBDRO Cc1sc(C(=O)N[C@@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000449614440 250934881 /nfs/dbraw/zinc/93/48/81/250934881.db2.gz VPQOFOUFWRVWCI-LURJTMIESA-N 1 0 293.295 1.677 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000163242233 390179916 /nfs/dbraw/zinc/17/99/16/390179916.db2.gz MADAVFSBTRAPQG-PSASIEDQSA-N 1 0 255.343 1.825 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000150259130 390474152 /nfs/dbraw/zinc/47/41/52/390474152.db2.gz IHYMLHGMWGCVHV-SNVBAGLBSA-N 1 0 283.303 1.981 20 5 CDBDRO C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000430919776 390942424 /nfs/dbraw/zinc/94/24/24/390942424.db2.gz MCZLIPLFAKDQOX-RISCZKNCSA-N 1 0 279.340 1.643 20 5 CDBDRO CC[C@]1(C)CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247706726 390915490 /nfs/dbraw/zinc/91/54/90/390915490.db2.gz ZBRDXYAIRHOLFD-ZIAGYGMSSA-N 1 0 296.371 1.664 20 5 CDBDRO C[C@@H](CCCC[NH3+])NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000293438550 533531895 /nfs/dbraw/zinc/53/18/95/533531895.db2.gz OTAYJWIHENZXPW-NSHDSACASA-N 1 0 295.339 1.607 20 5 CDBDRO CC[N@H+](CCNC(=O)Nc1ccncc1[N+](=O)[O-])C1CC1 ZINC000183580936 391264061 /nfs/dbraw/zinc/26/40/61/391264061.db2.gz NKDBROHNWUNRKE-UHFFFAOYSA-N 1 0 293.327 1.596 20 5 CDBDRO C[C@H]1C[NH2+]CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000212100362 391305357 /nfs/dbraw/zinc/30/53/57/391305357.db2.gz MUTKUCZZJPHTBK-ZADCQDASSA-N 1 0 275.308 1.428 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000415422881 391409969 /nfs/dbraw/zinc/40/99/69/391409969.db2.gz XKPKSAHZZKFRLG-VIFPVBQESA-N 1 0 280.328 1.880 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)C1C[NH2+]C1 ZINC000415572926 391467250 /nfs/dbraw/zinc/46/72/50/391467250.db2.gz BRTNBOMMNPBDSN-UHFFFAOYSA-N 1 0 278.312 1.647 20 5 CDBDRO C[C@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000415635575 391470503 /nfs/dbraw/zinc/47/05/03/391470503.db2.gz VCNPHKRUVWXXFT-CPCISQLKSA-N 1 0 282.275 1.545 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CC[C@@H](F)C2)c1 ZINC000521427477 391630784 /nfs/dbraw/zinc/63/07/84/391630784.db2.gz FHTWGDSMXNBSHU-NTZNESFSSA-N 1 0 298.314 1.815 20 5 CDBDRO Cc1c(C(=O)N[C@H]2CCC[NH2+][C@H]2C)cccc1[N+](=O)[O-] ZINC000189304950 129950514 /nfs/dbraw/zinc/95/05/14/129950514.db2.gz GSIWWMITWKMJQN-JQWIXIFHSA-N 1 0 277.324 1.774 20 5 CDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)O ZINC000341646929 129960440 /nfs/dbraw/zinc/96/04/40/129960440.db2.gz YKKWUBCSQBNZAD-JTQLQIEISA-N 1 0 295.339 1.672 20 5 CDBDRO C[C@@H]1CSCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000190470158 130107956 /nfs/dbraw/zinc/10/79/56/130107956.db2.gz LOVPMZDISSCBJB-JTQLQIEISA-N 1 0 270.358 1.476 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCC(N)=O ZINC000353192022 391901247 /nfs/dbraw/zinc/90/12/47/391901247.db2.gz ADZXFEFJVXWAHT-SNVBAGLBSA-N 1 0 265.313 1.771 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H](O)[C@H]1C ZINC000590762172 391922408 /nfs/dbraw/zinc/92/24/08/391922408.db2.gz MBFAKKMORDSURJ-ZYHUDNBSSA-N 1 0 293.323 1.297 20 5 CDBDRO Cc1cnc(N2CCC([C@H](C)[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000090692623 392096048 /nfs/dbraw/zinc/09/60/48/392096048.db2.gz JZMQOGWFZCQHBU-JTQLQIEISA-N 1 0 264.329 1.862 20 5 CDBDRO C[C@]1(C(=O)NCCc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000237761949 131056193 /nfs/dbraw/zinc/05/61/93/131056193.db2.gz RUUHEFAHXWWPOX-AWEZNQCLSA-N 1 0 277.324 1.253 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000237969580 131069867 /nfs/dbraw/zinc/06/98/67/131069867.db2.gz ONPMSQFHUPLREH-CHWSQXEVSA-N 1 0 291.351 1.771 20 5 CDBDRO C[C@H](C[NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000262333331 131211890 /nfs/dbraw/zinc/21/18/90/131211890.db2.gz DWXLHCHVXZDUIZ-SSDOTTSWSA-N 1 0 271.704 1.459 20 5 CDBDRO C[C@](C[NH3+])(NC(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000262635183 131244776 /nfs/dbraw/zinc/24/47/76/131244776.db2.gz PFCXVZLMVLLOQD-CYBMUJFWSA-N 1 0 278.312 1.034 20 5 CDBDRO COCC[N@H+](C)CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000263737802 131319621 /nfs/dbraw/zinc/31/96/21/131319621.db2.gz IERUUMQDZTUOEC-UHFFFAOYSA-N 1 0 295.339 1.211 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000264848547 131511079 /nfs/dbraw/zinc/51/10/79/131511079.db2.gz BOOJYUWQOLIZDF-VIFPVBQESA-N 1 0 283.303 1.804 20 5 CDBDRO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000442972412 392512281 /nfs/dbraw/zinc/51/22/81/392512281.db2.gz ZRWJUBCEBSNAGU-VSKVDJIOSA-N 1 0 289.335 1.818 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1CCC[NH2+]C1 ZINC000420184394 392902357 /nfs/dbraw/zinc/90/23/57/392902357.db2.gz NITOVDLJSJARRE-SNVBAGLBSA-N 1 0 293.323 1.854 20 5 CDBDRO C[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000268855255 132077954 /nfs/dbraw/zinc/07/79/54/132077954.db2.gz QQSRSXDFBNYJBT-SWLSCSKDSA-N 1 0 293.367 1.702 20 5 CDBDRO COC[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268934318 132090675 /nfs/dbraw/zinc/09/06/75/132090675.db2.gz RISNEENERIBABV-MNOVXSKESA-N 1 0 268.313 1.561 20 5 CDBDRO C[C@H]1CCNC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000422746229 392956577 /nfs/dbraw/zinc/95/65/77/392956577.db2.gz WFKRERGXEHZSMM-FZMZJTMJSA-N 1 0 263.341 1.725 20 5 CDBDRO C[N@H+](CCCO)C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000115519844 392972515 /nfs/dbraw/zinc/97/25/15/392972515.db2.gz UCJHHKICITZNPW-UHFFFAOYSA-N 1 0 294.355 1.273 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000194886475 392996336 /nfs/dbraw/zinc/99/63/36/392996336.db2.gz RMZRSFNNPRHBMP-ZETCQYMHSA-N 1 0 279.321 1.887 20 5 CDBDRO Cc1n[nH]c(C(=O)N(C)CC[C@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000429627533 393085387 /nfs/dbraw/zinc/08/53/87/393085387.db2.gz NZMRTFOMQNZEKB-VIFPVBQESA-N 1 0 283.332 1.072 20 5 CDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC([NH3+])CC1 ZINC000430672184 393104580 /nfs/dbraw/zinc/10/45/80/393104580.db2.gz ZCBLLGUGMJFPGR-SNVBAGLBSA-N 1 0 292.339 1.345 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N(C)C ZINC000449223431 393131092 /nfs/dbraw/zinc/13/10/92/393131092.db2.gz JTIRPIYTUPHGPS-SNVBAGLBSA-N 1 0 265.313 1.204 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000449638218 393137212 /nfs/dbraw/zinc/13/72/12/393137212.db2.gz JRFAKABRNUQZCO-WDEREUQCSA-N 1 0 277.324 1.842 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000449639812 393137708 /nfs/dbraw/zinc/13/77/08/393137708.db2.gz QRUOLTLCZUGYLX-DTWKUNHWSA-N 1 0 266.301 1.170 20 5 CDBDRO COC[C@]1(CO)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000449705190 393139337 /nfs/dbraw/zinc/13/93/37/393139337.db2.gz XCFWUHYKYVNFLT-CQSZACIVSA-N 1 0 280.324 1.426 20 5 CDBDRO COC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000279142763 393146179 /nfs/dbraw/zinc/14/61/79/393146179.db2.gz XTZKZLSABBMJQP-JSGCOSHPSA-N 1 0 280.324 1.878 20 5 CDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000281834820 393158741 /nfs/dbraw/zinc/15/87/41/393158741.db2.gz INUHJOOMFKQBRN-CBAPKCEASA-N 1 0 268.342 1.946 20 5 CDBDRO CC(C)[NH+]1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000283400859 393187967 /nfs/dbraw/zinc/18/79/67/393187967.db2.gz AGXYXIFSYVLZTF-UHFFFAOYSA-N 1 0 264.329 1.707 20 5 CDBDRO C[C@H](O)C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000131333899 393201239 /nfs/dbraw/zinc/20/12/39/393201239.db2.gz BBUXORFCEGFEIU-JTQLQIEISA-N 1 0 254.286 1.286 20 5 CDBDRO Cc1c(CNC(=O)C[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000231856283 140219690 /nfs/dbraw/zinc/21/96/90/140219690.db2.gz XOBQBKJTHPSUOA-GFCCVEGCSA-N 1 0 277.324 1.662 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000232232730 140220965 /nfs/dbraw/zinc/22/09/65/140220965.db2.gz QPHXWGOZMDSBBA-NSHDSACASA-N 1 0 277.324 1.775 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000236051760 140238499 /nfs/dbraw/zinc/23/84/99/140238499.db2.gz OYUZQVWIRFTKLA-SSDOTTSWSA-N 1 0 256.693 1.665 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)C[C@H]12 ZINC000248620831 140292637 /nfs/dbraw/zinc/29/26/37/140292637.db2.gz MXGIGUHEKRLOLO-FKTZTGRPSA-N 1 0 281.337 1.466 20 5 CDBDRO CCCc1[nH]nc(-c2nc(C[C@@H](C)[NH2+]C)no2)c1[N+](=O)[O-] ZINC000261629181 140366271 /nfs/dbraw/zinc/36/62/71/140366271.db2.gz CKKXSSFEXAIULF-SSDOTTSWSA-N 1 0 294.315 1.471 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261649968 140369597 /nfs/dbraw/zinc/36/95/97/140369597.db2.gz JPNAOSRGXMKXSM-GXFFZTMASA-N 1 0 290.323 1.811 20 5 CDBDRO [NH3+][C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000423226376 397602826 /nfs/dbraw/zinc/60/28/26/397602826.db2.gz QMJRZHQWMJMTHN-CYBMUJFWSA-N 1 0 277.324 1.381 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000036257850 397923389 /nfs/dbraw/zinc/92/33/89/397923389.db2.gz OGYKPVMHHJKXIA-JTQLQIEISA-N 1 0 292.339 1.338 20 5 CDBDRO CO[C@@]1(C)C[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000176286894 148034680 /nfs/dbraw/zinc/03/46/80/148034680.db2.gz LACHCSMGLCKJRI-RISCZKNCSA-N 1 0 296.371 1.927 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000178786009 148088233 /nfs/dbraw/zinc/08/82/33/148088233.db2.gz GSIHNKFNVBBTFF-SECBINFHSA-N 1 0 279.296 1.085 20 5 CDBDRO CC(C)[N@@H+](C)C[C@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000311032243 149207861 /nfs/dbraw/zinc/20/78/61/149207861.db2.gz FEXAFBOOYZNTBA-VIFPVBQESA-N 1 0 255.322 1.469 20 5 CDBDRO C[C@@H](NC(=O)[C@H]([NH3+])CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000312516806 149233535 /nfs/dbraw/zinc/23/35/35/149233535.db2.gz SUSGZKKKFNBRSK-GMSGAONNSA-N 1 0 287.266 1.755 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000333982132 149293880 /nfs/dbraw/zinc/29/38/80/149293880.db2.gz HLGYWKZYCOCWAV-ONGXEEELSA-N 1 0 295.314 1.946 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000261587532 292288112 /nfs/dbraw/zinc/28/81/12/292288112.db2.gz JNWDZFCMVIDQBJ-MNOVXSKESA-N 1 0 262.313 1.486 20 5 CDBDRO [NH3+]CCN(Cc1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000348894723 154003733 /nfs/dbraw/zinc/00/37/33/154003733.db2.gz PCFOYUFRFBHLNU-UHFFFAOYSA-N 1 0 272.308 1.955 20 5 CDBDRO COC(=O)COc1ccc(C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000353783993 156080125 /nfs/dbraw/zinc/08/01/25/156080125.db2.gz YDGFIJRXAPRORP-UHFFFAOYSA-N 1 0 294.307 1.742 20 5 CDBDRO Cc1ccc(C[NH2+][C@H]2CCS(=O)(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000353869988 156135002 /nfs/dbraw/zinc/13/50/02/156135002.db2.gz QWLPNEBYOVSEHC-PWSUYJOCSA-N 1 0 298.364 1.568 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](CO)c2cccc(F)c2)c1 ZINC000359540411 158281182 /nfs/dbraw/zinc/28/11/82/158281182.db2.gz PXPLMNOZSXUJHQ-ZDUSSCGKSA-N 1 0 294.286 1.254 20 5 CDBDRO C[C@H]([NH2+]CCNc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000361983320 159032312 /nfs/dbraw/zinc/03/23/12/159032312.db2.gz UJVKBGDZPYJRKB-NSHDSACASA-N 1 0 287.323 1.569 20 5 CDBDRO Cc1c(C[N@@H+]2C[C@H](CO)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000362090281 159067712 /nfs/dbraw/zinc/06/77/12/159067712.db2.gz MUOXSACJUTVWCO-ZWNOBZJWSA-N 1 0 264.325 1.963 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2C2CC2)c1 ZINC000363572906 159329712 /nfs/dbraw/zinc/32/97/12/159329712.db2.gz KYDQDEYRUMJEGT-CHWSQXEVSA-N 1 0 280.328 1.027 20 5 CDBDRO Cc1cccc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c1[N+](=O)[O-] ZINC000189314420 292425934 /nfs/dbraw/zinc/42/59/34/292425934.db2.gz KTYZBEQYXKTDNX-ZYHUDNBSSA-N 1 0 277.324 1.774 20 5 CDBDRO CCC(=O)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373287497 160189499 /nfs/dbraw/zinc/18/94/99/160189499.db2.gz VLGDQUXXDNBFOC-UHFFFAOYSA-N 1 0 280.328 1.797 20 5 CDBDRO Cc1c(C[NH2+]CC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000035648896 172325356 /nfs/dbraw/zinc/32/53/56/172325356.db2.gz IVFLAZXVCNHKMN-UHFFFAOYSA-N 1 0 251.286 1.081 20 5 CDBDRO CC[C@H]1CCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000285601635 196340186 /nfs/dbraw/zinc/34/01/86/196340186.db2.gz BWLOQWYFDOCHJG-AAEUAGOBSA-N 1 0 279.340 1.925 20 5 CDBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000285634547 196350882 /nfs/dbraw/zinc/35/08/82/196350882.db2.gz XKONMKPEVMEBSZ-LBPRGKRZSA-N 1 0 266.297 1.085 20 5 CDBDRO Cc1ccc(C[NH2+][C@H](C)C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000037267720 173078339 /nfs/dbraw/zinc/07/83/39/173078339.db2.gz WNDCRTKXCVKENN-SNVBAGLBSA-N 1 0 265.313 1.470 20 5 CDBDRO CC[NH+](CC)CCn1cc(Br)c([N+](=O)[O-])n1 ZINC000040517283 174307322 /nfs/dbraw/zinc/30/73/22/174307322.db2.gz SOBIWWKVCJYGFE-UHFFFAOYSA-N 1 0 291.149 1.896 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000040593627 174347848 /nfs/dbraw/zinc/34/78/48/174347848.db2.gz GBZMOZLDAISOBT-VIFPVBQESA-N 1 0 283.353 1.728 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000040594905 174348113 /nfs/dbraw/zinc/34/81/13/174348113.db2.gz GZRHZFRUOHTTJA-GFCCVEGCSA-N 1 0 291.351 1.595 20 5 CDBDRO Cc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1[N+](=O)[O-] ZINC000040740727 174390835 /nfs/dbraw/zinc/39/08/35/174390835.db2.gz AKAZQEQXEMKBBP-FOSCPWQOSA-N 1 0 289.335 1.916 20 5 CDBDRO COc1ccc(O[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000043501540 175058744 /nfs/dbraw/zinc/05/87/44/175058744.db2.gz UICIZPKGWHNGFE-JTQLQIEISA-N 1 0 252.270 1.734 20 5 CDBDRO COc1ccc(C(=O)NCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000044503766 175186781 /nfs/dbraw/zinc/18/67/81/175186781.db2.gz PDSXACXNGHOUMH-UHFFFAOYSA-N 1 0 293.323 1.333 20 5 CDBDRO COc1ccc(C[NH2+]C[C@@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000071305269 176115791 /nfs/dbraw/zinc/11/57/91/176115791.db2.gz UFWZZXVXHCKEKB-GFCCVEGCSA-N 1 0 266.297 1.464 20 5 CDBDRO Cc1ccc(C(=O)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000071397086 176151011 /nfs/dbraw/zinc/15/10/11/176151011.db2.gz BQVSTLXZQGHLSX-LLVKDONJSA-N 1 0 263.297 1.385 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000322757697 270331115 /nfs/dbraw/zinc/33/11/15/270331115.db2.gz FPAHGSQFGFULKU-JTQLQIEISA-N 1 0 265.313 1.517 20 5 CDBDRO Cc1c(C(=O)NC[C@H]2C[NH2+]CCCO2)cccc1[N+](=O)[O-] ZINC000390033699 262086291 /nfs/dbraw/zinc/08/62/91/262086291.db2.gz ZPAMLFDGXHOZDC-LLVKDONJSA-N 1 0 293.323 1.012 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000313693113 270325041 /nfs/dbraw/zinc/32/50/41/270325041.db2.gz ABDSTLBOISGQBR-RKVAAYGKSA-N 1 0 289.335 1.865 20 5 CDBDRO CC(C)[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H](C)[NH3+] ZINC000399718131 270375374 /nfs/dbraw/zinc/37/53/74/270375374.db2.gz HGOHWJSGXVYOCC-ZWNOBZJWSA-N 1 0 279.340 1.830 20 5 CDBDRO COCC[N@@H+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC000266801623 274030173 /nfs/dbraw/zinc/03/01/73/274030173.db2.gz CCMPXPQGZRVNHP-LBPRGKRZSA-N 1 0 294.355 1.455 20 5 CDBDRO O=[N+]([O-])c1c(N[C@H]2CCC[NH2+]C2)nc2sccn21 ZINC000071397769 275032766 /nfs/dbraw/zinc/03/27/66/275032766.db2.gz HUIHSWPUGYPCAR-ZETCQYMHSA-N 1 0 267.314 1.468 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3[NH2+]CC[C@H]3C2)c(Cl)c1 ZINC000261656283 275041276 /nfs/dbraw/zinc/04/12/76/275041276.db2.gz YTQYOFJJIRTNFR-GZMMTYOYSA-N 1 0 282.731 1.831 20 5 CDBDRO CC(C)(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000081606853 275531722 /nfs/dbraw/zinc/53/17/22/275531722.db2.gz VZNPIFYIYRPJMB-LLVKDONJSA-N 1 0 265.313 1.584 20 5 CDBDRO C[NH2+]CCN(C)c1ncc(Br)cc1[N+](=O)[O-] ZINC000069802660 277023886 /nfs/dbraw/zinc/02/38/86/277023886.db2.gz DRKTWNZFAASGDK-UHFFFAOYSA-N 1 0 289.133 1.408 20 5 CDBDRO CNC(=O)c1ccc(N2CCC[C@@H]([NH2+]C)C2)c([N+](=O)[O-])c1 ZINC000212640486 277258727 /nfs/dbraw/zinc/25/87/27/277258727.db2.gz DCPHPJZJGKNVCT-LLVKDONJSA-N 1 0 292.339 1.143 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000261608321 277279045 /nfs/dbraw/zinc/27/90/45/277279045.db2.gz RVDMEPAMBJMMDD-LBPRGKRZSA-N 1 0 267.304 1.918 20 5 CDBDRO COC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000279011085 277596951 /nfs/dbraw/zinc/59/69/51/277596951.db2.gz FICGJIYTUCBRMP-GJZGRUSLSA-N 1 0 294.351 1.921 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000262811879 277936812 /nfs/dbraw/zinc/93/68/12/277936812.db2.gz OUTLSVOFLLOYLZ-JOYOIKCWSA-N 1 0 293.323 1.331 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000110795277 279318951 /nfs/dbraw/zinc/31/89/51/279318951.db2.gz YFTBTOIYEFMZQU-LLVKDONJSA-N 1 0 277.324 1.633 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000262504845 279511303 /nfs/dbraw/zinc/51/13/03/279511303.db2.gz ZPBFNGWRYKPNKQ-SNVBAGLBSA-N 1 0 265.313 1.252 20 5 CDBDRO [NH3+][C@@H]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000236298533 279671058 /nfs/dbraw/zinc/67/10/58/279671058.db2.gz RFEFUPCMMRCMFK-SSDOTTSWSA-N 1 0 290.245 1.936 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459792914 280394637 /nfs/dbraw/zinc/39/46/37/280394637.db2.gz UWHNFZSBTWLDQS-KGYLQXTDSA-N 1 0 277.324 1.535 20 5 CDBDRO C[NH2+][C@@H](C)Cc1noc(-c2cccc([N+](=O)[O-])c2N)n1 ZINC000261605770 280534144 /nfs/dbraw/zinc/53/41/44/280534144.db2.gz AAHZARPSZUGURW-ZETCQYMHSA-N 1 0 277.284 1.377 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000520815688 281056605 /nfs/dbraw/zinc/05/66/05/281056605.db2.gz VXJRWAKBSXCADF-SFYZADRCSA-N 1 0 266.301 1.033 20 5 CDBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000524095197 281104146 /nfs/dbraw/zinc/10/41/46/281104146.db2.gz DLFCZNXSFWJHAQ-UHFFFAOYSA-N 1 0 294.355 1.490 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000261588432 289040773 /nfs/dbraw/zinc/04/07/73/289040773.db2.gz KDXYLQSXSKOHIC-GMSGAONNSA-N 1 0 283.715 1.810 20 5 CDBDRO NC(=O)[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255289793 289363677 /nfs/dbraw/zinc/36/36/77/289363677.db2.gz ONPGWHUSIUJENJ-RJNRQISESA-N 1 0 289.335 1.805 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000547960891 289823523 /nfs/dbraw/zinc/82/35/23/289823523.db2.gz SUAZGQHKMODJIL-LBPRGKRZSA-N 1 0 293.371 1.783 20 5 CDBDRO Cc1cnc(N2CC[C@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000229099968 292914115 /nfs/dbraw/zinc/91/41/15/292914115.db2.gz XJRJPOXMAKGDNM-QWRGUYRKSA-N 1 0 264.329 1.719 20 5 CDBDRO [NH3+]C[C@H]1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000562829943 293208242 /nfs/dbraw/zinc/20/82/42/293208242.db2.gz FJLYDTIBHHFGNZ-SNVBAGLBSA-N 1 0 276.340 1.738 20 5 CDBDRO C[NH2+]CCCn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC000563082402 293267092 /nfs/dbraw/zinc/26/70/92/293267092.db2.gz YNBJYNKADBMOBN-UHFFFAOYSA-N 1 0 278.268 1.021 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000563169008 293296994 /nfs/dbraw/zinc/29/69/94/293296994.db2.gz CXTIBQFAUBJJEX-HTQZYQBOSA-N 1 0 266.301 1.033 20 5 CDBDRO CC[C@@H]([NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000568514605 294051266 /nfs/dbraw/zinc/05/12/66/294051266.db2.gz NGVYUEREULCTAM-CYBMUJFWSA-N 1 0 277.324 1.823 20 5 CDBDRO CC[N@H+](C)C[C@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000570354182 294223058 /nfs/dbraw/zinc/22/30/58/294223058.db2.gz VJFMKYGYXBXGFH-GXTWGEPZSA-N 1 0 295.383 1.866 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000570910821 294330681 /nfs/dbraw/zinc/33/06/81/294330681.db2.gz IDSSGIBKHOVLLG-ZYHUDNBSSA-N 1 0 292.339 1.521 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[NH2+]C1 ZINC000571625332 294472444 /nfs/dbraw/zinc/47/24/44/294472444.db2.gz NADQEMJZRQABRX-LBPRGKRZSA-N 1 0 292.339 1.394 20 5 CDBDRO Cc1c(CC(=O)NC2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000574038129 294933758 /nfs/dbraw/zinc/93/37/58/294933758.db2.gz WTOBVMHFYYEVNY-UHFFFAOYSA-N 1 0 277.324 1.314 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(OCC2CC[NH2+]CC2)c1 ZINC000574451006 295001485 /nfs/dbraw/zinc/00/14/85/295001485.db2.gz ZEYBLIBTFCDECK-UHFFFAOYSA-N 1 0 294.307 1.760 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[C@H](F)C1 ZINC000567104925 316738015 /nfs/dbraw/zinc/73/80/15/316738015.db2.gz FVZQYCYUZFYLQW-SDDRHHMPSA-N 1 0 298.314 1.815 20 5 CDBDRO COc1ccc(CC(=O)N[C@@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000569339557 316766733 /nfs/dbraw/zinc/76/67/33/316766733.db2.gz KGQSYPCVQDJRHG-JTQLQIEISA-N 1 0 295.339 1.390 20 5 CDBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000570038740 316898541 /nfs/dbraw/zinc/89/85/41/316898541.db2.gz GWPIUAPLGOOTCQ-MFKMUULPSA-N 1 0 292.339 1.121 20 5 CDBDRO CNc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000576561697 317161390 /nfs/dbraw/zinc/16/13/90/317161390.db2.gz ZWWWWKBXRYKZFM-GXSJLCMTSA-N 1 0 292.339 1.588 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000382446140 323640937 /nfs/dbraw/zinc/64/09/37/323640937.db2.gz JGKZIPBZKOFXSS-VXGBXAGGSA-N 1 0 277.324 1.381 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000382462675 323642378 /nfs/dbraw/zinc/64/23/78/323642378.db2.gz XKNPSHKWZSMVGJ-KOLCDFICSA-N 1 0 278.312 1.844 20 5 CDBDRO CNc1ccc(C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000579241573 324138800 /nfs/dbraw/zinc/13/88/00/324138800.db2.gz CJEIBQNBVZZTQB-VHSXEESVSA-N 1 0 292.339 1.459 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000584061362 326912452 /nfs/dbraw/zinc/91/24/52/326912452.db2.gz JGGMDAQKXHWHJS-STQMWFEESA-N 1 0 280.324 1.852 20 5 CDBDRO CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001752843868 1160635761 /nfs/dbraw/zinc/63/57/61/1160635761.db2.gz JGFMWGSZKHMVGT-RGDJUOJXSA-N 1 0 295.383 1.278 20 5 CDBDRO Cc1c(CNC(=O)N(C)[C@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000418080640 533852682 /nfs/dbraw/zinc/85/26/82/533852682.db2.gz MOLCFNUKFGIRBF-SECBINFHSA-N 1 0 280.328 1.392 20 5 CDBDRO Cc1ncn([C@H]2CC[C@H](C[N+](=O)[O-])C2)c1CC[NH3+] ZINC001168966594 1161996260 /nfs/dbraw/zinc/99/62/60/1161996260.db2.gz JPVGKXTUQQEERF-QWRGUYRKSA-N 1 0 252.318 1.311 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000054131581 520232433 /nfs/dbraw/zinc/23/24/33/520232433.db2.gz LPMHJBUWOGCRKN-UHFFFAOYSA-N 1 0 285.731 1.930 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000148774211 522073100 /nfs/dbraw/zinc/07/31/00/522073100.db2.gz DWQXABMNWXIRIU-VIFPVBQESA-N 1 0 251.286 1.180 20 5 CDBDRO C[NH2+][C@@H]1CCCN(c2cc(OC)c([N+](=O)[O-])cc2F)C1 ZINC000227860007 522388444 /nfs/dbraw/zinc/38/84/44/522388444.db2.gz SPZYQIDJJWRYDD-SECBINFHSA-N 1 0 283.303 1.931 20 5 CDBDRO CCc1nn(C)c(NCC2([NH3+])CCC2)c1[N+](=O)[O-] ZINC000234175569 522666257 /nfs/dbraw/zinc/66/62/57/522666257.db2.gz FJFCMZQUYIXRFJ-UHFFFAOYSA-N 1 0 253.306 1.184 20 5 CDBDRO C[C@H](CNc1ncccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000068913158 524512250 /nfs/dbraw/zinc/51/22/50/524512250.db2.gz OBIDSOARFBTUKP-SECBINFHSA-N 1 0 250.302 1.884 20 5 CDBDRO C[C@@H](NC(=O)CC[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000070316156 525091244 /nfs/dbraw/zinc/09/12/44/525091244.db2.gz CDHHCSGVFRMDOF-VHSXEESVSA-N 1 0 265.313 1.899 20 5 CDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000156104761 525532842 /nfs/dbraw/zinc/53/28/42/525532842.db2.gz HRMVQMHZRZUUBN-SNVBAGLBSA-N 1 0 299.352 1.015 20 5 CDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000156104896 525537568 /nfs/dbraw/zinc/53/75/68/525537568.db2.gz HRMVQMHZRZUUBN-JTQLQIEISA-N 1 0 299.352 1.015 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163543899 526071243 /nfs/dbraw/zinc/07/12/43/526071243.db2.gz ZVOQCMNKKHRHBW-ZYHUDNBSSA-N 1 0 291.351 1.960 20 5 CDBDRO [NH3+]C[C@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000050245609 527237789 /nfs/dbraw/zinc/23/77/89/527237789.db2.gz UWVWRPBLTJBRMP-MRVPVSSYSA-N 1 0 267.260 1.155 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000070149036 527327465 /nfs/dbraw/zinc/32/74/65/527327465.db2.gz VSAOHIUKHAUJRS-SNVBAGLBSA-N 1 0 280.328 1.277 20 5 CDBDRO CC(C)([NH3+])CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000269186870 535200439 /nfs/dbraw/zinc/20/04/39/535200439.db2.gz BMFFWSCABBUCBD-UHFFFAOYSA-N 1 0 279.340 1.726 20 5 CDBDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(N)=O ZINC000178688829 535941713 /nfs/dbraw/zinc/94/17/13/535941713.db2.gz GRBLJDAQWVDKJX-KOLCDFICSA-N 1 0 265.313 1.818 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000261667562 535968757 /nfs/dbraw/zinc/96/87/57/535968757.db2.gz ZPBPSNPURKSKLM-WPRPVWTQSA-N 1 0 267.333 1.293 20 5 CDBDRO CCc1nn(C)c(NC[C@@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420294286 536181108 /nfs/dbraw/zinc/18/11/08/536181108.db2.gz YWNWSVPLIBTEOD-NXEZZACHSA-N 1 0 281.360 1.820 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)C[NH3+] ZINC000415763631 536195210 /nfs/dbraw/zinc/19/52/10/536195210.db2.gz ONHRPUBBRGEBRA-SECBINFHSA-N 1 0 280.328 1.874 20 5 CDBDRO CN(c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC([NH3+])C1 ZINC000420292479 536302450 /nfs/dbraw/zinc/30/24/50/536302450.db2.gz WOVSYVBEFFRYGG-UHFFFAOYSA-N 1 0 289.295 1.571 20 5 CDBDRO C[NH2+][C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000234421590 536378635 /nfs/dbraw/zinc/37/86/35/536378635.db2.gz JJTBAMYSUOQDDL-SSDOTTSWSA-N 1 0 256.693 1.441 20 5 CDBDRO COC[C@]1(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000261758582 536659362 /nfs/dbraw/zinc/65/93/62/536659362.db2.gz UQURFZBTQLVKSC-AWEZNQCLSA-N 1 0 293.323 1.468 20 5 CDBDRO COC[C@]1(CNc2ccc([N+](=O)[O-])cn2)CCC[NH2+]1 ZINC000261649576 536687526 /nfs/dbraw/zinc/68/75/26/536687526.db2.gz YAUUTBSFYQLUKN-GFCCVEGCSA-N 1 0 266.301 1.170 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCN(C)C1 ZINC000729681897 574820531 /nfs/dbraw/zinc/82/05/31/574820531.db2.gz MNXAOQFWCWVTML-GFCCVEGCSA-N 1 0 279.340 1.787 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](CCO)C2CC2)cc1 ZINC000771804779 575614507 /nfs/dbraw/zinc/61/45/07/575614507.db2.gz RLDGCSNSAQMLNG-AWEZNQCLSA-N 1 0 280.324 1.724 20 5 CDBDRO CC1(CO)CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000762626473 576659097 /nfs/dbraw/zinc/65/90/97/576659097.db2.gz WDOVJMOFSHQSBR-AWEZNQCLSA-N 1 0 294.351 1.723 20 5 CDBDRO C[C@@H]([NH2+][C@@H](CO)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000763062114 576706102 /nfs/dbraw/zinc/70/61/02/576706102.db2.gz ACQVHPFDBCAAKN-RNCFNFMXSA-N 1 0 293.323 1.282 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCCO2)c1 ZINC000749650098 576956770 /nfs/dbraw/zinc/95/67/70/576956770.db2.gz ZKOUMEUCBWLZTE-OLZOCXBDSA-N 1 0 266.297 1.397 20 5 CDBDRO Cc1nn(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c(C)c1[N+](=O)[O-] ZINC000749799283 576963228 /nfs/dbraw/zinc/96/32/28/576963228.db2.gz WDLMXTUVJYGMLU-QWHCGFSZSA-N 1 0 294.355 1.724 20 5 CDBDRO C[C@@H]1COC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000932503179 617319053 /nfs/dbraw/zinc/31/90/53/617319053.db2.gz ZFBZCXPKMDWJPX-LDYMZIIASA-N 1 0 254.261 1.858 20 5 CDBDRO Cc1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cnc1F ZINC000893135248 617402034 /nfs/dbraw/zinc/40/20/34/617402034.db2.gz PJGAXFRSACRXSC-UHFFFAOYSA-N 1 0 279.275 1.424 20 5 CDBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000892608964 617532822 /nfs/dbraw/zinc/53/28/22/617532822.db2.gz STAOJQHROOAWAZ-CMPLNLGQSA-N 1 0 298.364 1.508 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000931038848 617585871 /nfs/dbraw/zinc/58/58/71/617585871.db2.gz MMIUOCOAKYKJBC-DFBGVHRSSA-N 1 0 293.367 1.653 20 5 CDBDRO Cc1nn(CN2CCC[N@@H+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000779860509 617898935 /nfs/dbraw/zinc/89/89/35/617898935.db2.gz ZIBUSZHPJUYMNZ-UHFFFAOYSA-N 1 0 295.387 1.863 20 5 CDBDRO COCC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892429059 618190777 /nfs/dbraw/zinc/19/07/77/618190777.db2.gz CAGCOKBFHFCFIE-UHFFFAOYSA-N 1 0 256.258 1.045 20 5 CDBDRO C[N@@H+]1C[C@H]2CCN(c3ncc([N+](=O)[O-])s3)[C@@H]2C1 ZINC000893938837 618201250 /nfs/dbraw/zinc/20/12/50/618201250.db2.gz GNEKWRSQGIDKKL-HTQZYQBOSA-N 1 0 254.315 1.192 20 5 CDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1(C)C[NH2+]C1 ZINC000817909426 618486801 /nfs/dbraw/zinc/48/68/01/618486801.db2.gz QVKRQHRIQMYHOD-UHFFFAOYSA-N 1 0 297.742 1.816 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCCCO)c1 ZINC000843059615 618692664 /nfs/dbraw/zinc/69/26/64/618692664.db2.gz LHWGXVYZWVCVKI-ZDUSSCGKSA-N 1 0 268.313 1.380 20 5 CDBDRO Cc1nnc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])s1 ZINC000894449895 618887860 /nfs/dbraw/zinc/88/78/60/618887860.db2.gz XEPIUIUGUJCWTA-UHFFFAOYSA-N 1 0 293.352 1.720 20 5 CDBDRO Cc1ncoc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000894765745 619051428 /nfs/dbraw/zinc/05/14/28/619051428.db2.gz MKFYKXPOQCOTFR-UHFFFAOYSA-N 1 0 276.296 1.857 20 5 CDBDRO CON(C)C(=O)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000895042663 619219713 /nfs/dbraw/zinc/21/97/13/619219713.db2.gz JSGQSEKRYTUQJB-XFFZJAGNSA-N 1 0 293.323 1.608 20 5 CDBDRO CCC[C@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)CC[NH2+]1 ZINC000895058481 619243016 /nfs/dbraw/zinc/24/30/16/619243016.db2.gz LRPMHHOFTNYVCU-NSHDSACASA-N 1 0 264.329 1.877 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000895193286 619444763 /nfs/dbraw/zinc/44/47/63/619444763.db2.gz SPRZHLFPJUZLND-VHSXEESVSA-N 1 0 265.317 1.001 20 5 CDBDRO C[C@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895246890 619493256 /nfs/dbraw/zinc/49/32/56/619493256.db2.gz QXOUJWOLVXHDEZ-JQWIXIFHSA-N 1 0 279.344 1.036 20 5 CDBDRO CC(C)C[C@H]1C[N@H+](C)CCN1c1c([N+](=O)[O-])ncn1C ZINC000896650383 620182271 /nfs/dbraw/zinc/18/22/71/620182271.db2.gz GQMMJRIRQHWAOS-NSHDSACASA-N 1 0 281.360 1.495 20 5 CDBDRO C[C@@H](C[NH2+]CC[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000899867444 622492802 /nfs/dbraw/zinc/49/28/02/622492802.db2.gz WORKUQLLDIZBKC-LBPRGKRZSA-N 1 0 263.341 1.300 20 5 CDBDRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[N+](=O)[O-] ZINC000905038145 626378933 /nfs/dbraw/zinc/37/89/33/626378933.db2.gz OLMCXRHXAGTJLS-JTQLQIEISA-N 1 0 266.297 1.603 20 5 CDBDRO O=[N+]([O-])CCNCc1cnn(Cc2ccccc2)c1 ZINC000905044993 626384048 /nfs/dbraw/zinc/38/40/48/626384048.db2.gz GXOHDBPWJWSKID-UHFFFAOYSA-N 1 0 260.297 1.298 20 5 CDBDRO CN(C)[C@H](C[NH2+]CC[N+](=O)[O-])c1ccccc1Cl ZINC000905021828 626388839 /nfs/dbraw/zinc/38/88/39/626388839.db2.gz BEQWENSOBYKUCJ-GFCCVEGCSA-N 1 0 271.748 1.809 20 5 CDBDRO C[NH+](C)[C@H](CNCC[N+](=O)[O-])Cc1ccccc1 ZINC000905023260 626389482 /nfs/dbraw/zinc/38/94/82/626389482.db2.gz FAJYZOCMESWXRH-ZDUSSCGKSA-N 1 0 251.330 1.026 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000905155210 626639344 /nfs/dbraw/zinc/63/93/44/626639344.db2.gz RXXMFCJRBHFDNR-NSHDSACASA-N 1 0 269.732 1.785 20 5 CDBDRO C[C@@H](C[NH2+]CC[N+](=O)[O-])Oc1cccc(Cl)c1 ZINC000905134249 626648591 /nfs/dbraw/zinc/64/85/91/626648591.db2.gz HDFNJDFHURUJNC-VIFPVBQESA-N 1 0 258.705 1.974 20 5 CDBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905228082 626684026 /nfs/dbraw/zinc/68/40/26/626684026.db2.gz FXAPQZBLNHYOQY-WDEREUQCSA-N 1 0 287.360 1.689 20 5 CDBDRO COCCCOc1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905254906 626707519 /nfs/dbraw/zinc/70/75/19/626707519.db2.gz HGDUIGNOPIQYJP-UHFFFAOYSA-N 1 0 268.313 1.468 20 5 CDBDRO C[C@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000905235607 626717325 /nfs/dbraw/zinc/71/73/25/626717325.db2.gz BVWZJJOZQDDEII-QWRGUYRKSA-N 1 0 287.360 1.641 20 5 CDBDRO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+]CC[N+](=O)[O-])C1 ZINC000905409597 626801399 /nfs/dbraw/zinc/80/13/99/626801399.db2.gz PZMVUPTYWUJLBP-MGCOHNPYSA-N 1 0 273.333 1.156 20 5 CDBDRO COc1cc([N+](=O)[O-])c(N[C@H](C)[C@H]2C[NH2+]CCO2)cc1F ZINC001170567736 1162950938 /nfs/dbraw/zinc/95/09/38/1162950938.db2.gz LPNDZSIWTWLADF-AMIZOPFISA-N 1 0 299.302 1.531 20 5 CDBDRO C[C@@H](Nc1cccc2ncc([N+](=O)[O-])n21)[C@H]1C[NH2+]CCO1 ZINC001170577076 1162996991 /nfs/dbraw/zinc/99/69/91/1162996991.db2.gz XZAHMOMYTYWQHT-NXEZZACHSA-N 1 0 291.311 1.031 20 5 CDBDRO O=C(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)NC1CCCCC1 ZINC001168966867 1161996388 /nfs/dbraw/zinc/99/63/88/1161996388.db2.gz LYOMDXBMHFUBLJ-YPMHNXCESA-N 1 0 283.372 1.470 20 5 CDBDRO CN(C)/C=C/c1cc(-n2cccc2C[NH3+])ncc1[N+](=O)[O-] ZINC001156730355 1162033552 /nfs/dbraw/zinc/03/35/52/1162033552.db2.gz ITSADHQAGRKIFU-FNORWQNLSA-N 1 0 287.323 1.772 20 5 CDBDRO [NH3+]Cc1cccn1-c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001156731240 1162033672 /nfs/dbraw/zinc/03/36/72/1162033672.db2.gz SBCWYJXKEUFMJA-UHFFFAOYSA-N 1 0 268.660 1.131 20 5 CDBDRO O=[N+]([O-])c1c(N[C@H]2C[NH2+]C[C@H]2CO)ccc2cnccc21 ZINC001170780588 1164118416 /nfs/dbraw/zinc/11/84/16/1164118416.db2.gz HJHLWEYMIRDIBC-GWCFXTLKSA-N 1 0 288.307 1.135 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001155469987 1167183068 /nfs/dbraw/zinc/18/30/68/1167183068.db2.gz JKDBKTDJUNOPKN-NSHDSACASA-N 1 0 292.339 1.479 20 5 CDBDRO CC(C)c1n[nH]c(C(=O)N(C2CC2)C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001575847570 1171283621 /nfs/dbraw/zinc/28/36/21/1171283621.db2.gz MSJPQNGHCCDTTA-UHFFFAOYSA-N 1 0 293.327 1.018 20 5 CDBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001576120604 1171336967 /nfs/dbraw/zinc/33/69/67/1171336967.db2.gz WTDNDPJIKVYLIP-SECBINFHSA-N 1 0 292.339 1.376 20 5 CDBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1)c1cc(C[NH3+])ccn1 ZINC001578391633 1171894502 /nfs/dbraw/zinc/89/45/02/1171894502.db2.gz FQBBZEMTDKTVSY-UHFFFAOYSA-N 1 0 286.291 1.725 20 5 CDBDRO C[C@H]1[NH2+]CC[C@@H]1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC001579500865 1172200965 /nfs/dbraw/zinc/20/09/65/1172200965.db2.gz QKKQERJCEOWQRU-ZJUUUORDSA-N 1 0 295.364 1.554 20 5 CDBDRO Cc1cc(NC(=O)N[C@H]2C[NH2+]CC23CC3)ccc1[N+](=O)[O-] ZINC001579631281 1172228984 /nfs/dbraw/zinc/22/89/84/1172228984.db2.gz LWNKNVRKBZERAE-LBPRGKRZSA-N 1 0 290.323 1.777 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C1(F)CC[NH2+]CC1 ZINC001579733944 1172248754 /nfs/dbraw/zinc/24/87/54/1172248754.db2.gz GEOACVZYUKCMIK-UHFFFAOYSA-N 1 0 281.287 1.933 20 5 CDBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC001580253151 1172384442 /nfs/dbraw/zinc/38/44/42/1172384442.db2.gz IFCVIYBJCHUTJI-YMTOWFKASA-N 1 0 290.323 1.130 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC001580372047 1172416546 /nfs/dbraw/zinc/41/65/46/1172416546.db2.gz PGCCHBGKUPLROB-SNVBAGLBSA-N 1 0 281.287 1.226 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001580449618 1172439959 /nfs/dbraw/zinc/43/99/59/1172439959.db2.gz QAMCMUONSIOAON-QWHCGFSZSA-N 1 0 290.323 1.144 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001580545538 1172465084 /nfs/dbraw/zinc/46/50/84/1172465084.db2.gz WVNFYRUFMPXNGT-WDNDVIMCSA-N 1 0 289.335 1.109 20 5 CDBDRO O=C(NC[C@H]1CC[NH2+]1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001580658028 1172501754 /nfs/dbraw/zinc/50/17/54/1172501754.db2.gz HNBJTCNDUMQRCM-GFCCVEGCSA-N 1 0 289.335 1.495 20 5 CDBDRO CCC[C@@](C)(O)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000230702616 1178156752 /nfs/dbraw/zinc/15/67/52/1178156752.db2.gz WWHHRZRGNCEEIZ-UONOGXRCSA-N 1 0 282.340 1.769 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CN3CCC2CC3)cc1 ZINC000158615529 1178224374 /nfs/dbraw/zinc/22/43/74/1178224374.db2.gz VOXJVZORHGZDLO-CABCVRRESA-N 1 0 291.351 1.312 20 5 CDBDRO CCC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001753595409 1185261743 /nfs/dbraw/zinc/26/17/43/1185261743.db2.gz XCWKOWXBDFLSBE-CHWSQXEVSA-N 1 0 283.372 1.280 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(C)CC1CC[NH+](C)CC1 ZINC001165042799 721935154 /nfs/dbraw/zinc/93/51/54/721935154.db2.gz LTIBOQDYLBTRIM-UHFFFAOYSA-N 1 0 294.355 1.315 20 5 CDBDRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000036257425 782309501 /nfs/dbraw/zinc/30/95/01/782309501.db2.gz IIMCCYYPZCZVFX-VIFPVBQESA-N 1 0 279.296 1.592 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000832378043 782321794 /nfs/dbraw/zinc/32/17/94/782321794.db2.gz MJIOHEMBYPKYRA-UHFFFAOYSA-N 1 0 280.328 1.215 20 5 CDBDRO CC[C@H](C)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867942366 1164885207 /nfs/dbraw/zinc/88/52/07/1164885207.db2.gz QUPHTUOPXCSBKF-TVQRCGJNSA-N 1 0 265.313 1.683 20 5 CDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CC2CCCC2)CC1 ZINC000996429335 782495678 /nfs/dbraw/zinc/49/56/78/782495678.db2.gz PYZSHEUJONMAJF-ZIAGYGMSSA-N 1 0 295.383 1.422 20 5 CDBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840379636 782585993 /nfs/dbraw/zinc/58/59/93/782585993.db2.gz OFMUTHQPDOIIFP-DGCLKSJQSA-N 1 0 277.324 1.660 20 5 CDBDRO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886001928 782912732 /nfs/dbraw/zinc/91/27/32/782912732.db2.gz NCYULNKPOIMFOQ-PWSUYJOCSA-N 1 0 265.313 1.725 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000882960803 783027150 /nfs/dbraw/zinc/02/71/50/783027150.db2.gz WPVVAEDVGACHJF-VIFPVBQESA-N 1 0 276.300 1.144 20 5 CDBDRO C[S@@](=O)CCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000877050821 780187296 /nfs/dbraw/zinc/18/72/96/780187296.db2.gz FLGGLOAZPHRTML-HXUWFJFHSA-N 1 0 297.336 1.594 20 5 CDBDRO Nc1ccc(-c2noc(CC3(C[NH3+])CC3)n2)cc1[N+](=O)[O-] ZINC000841822032 780223223 /nfs/dbraw/zinc/22/32/23/780223223.db2.gz NPWOWFNTTOOTFT-UHFFFAOYSA-N 1 0 289.295 1.508 20 5 CDBDRO C[NH+](C)CCc1cn(Cc2ccc([N+](=O)[O-])c(F)c2)nn1 ZINC000881212277 780255040 /nfs/dbraw/zinc/25/50/40/780255040.db2.gz DARRIVIZJZNKLP-UHFFFAOYSA-N 1 0 293.302 1.478 20 5 CDBDRO O=C(CC[NH2+]CC1CC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000876666677 780261340 /nfs/dbraw/zinc/26/13/40/780261340.db2.gz LZIMXWHILXYILI-UHFFFAOYSA-N 1 0 289.335 1.874 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CCC2(CC[NH2+]2)CC1 ZINC000886840253 780265429 /nfs/dbraw/zinc/26/54/29/780265429.db2.gz XQPSTJBEBMHANB-UHFFFAOYSA-N 1 0 262.313 1.318 20 5 CDBDRO CC[C@@H](O)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843068314 780871959 /nfs/dbraw/zinc/87/19/59/780871959.db2.gz MGZNDDFMPNWXIC-OLZOCXBDSA-N 1 0 268.313 1.379 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000841077232 780966601 /nfs/dbraw/zinc/96/66/01/780966601.db2.gz FIWATNBVGJXVSU-IAZYJMLFSA-N 1 0 267.716 1.556 20 5 CDBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@](C)(O)C[NH+](C)C ZINC000808005733 781017412 /nfs/dbraw/zinc/01/74/12/781017412.db2.gz RZBORFUXMKVPDT-CQSZACIVSA-N 1 0 295.339 1.522 20 5 CDBDRO CO[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1O ZINC000825017732 781174637 /nfs/dbraw/zinc/17/46/37/781174637.db2.gz YJLVGJQRTHWHON-VXGBXAGGSA-N 1 0 286.715 1.440 20 5 CDBDRO C[C@@H]([NH2+][C@H]1CCC(=O)NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000089754209 781218810 /nfs/dbraw/zinc/21/88/10/781218810.db2.gz JFYGTWLRZAEOAG-KCJUWKMLSA-N 1 0 277.280 1.051 20 5 CDBDRO C[N@H+](CCO)CCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000884825250 781278395 /nfs/dbraw/zinc/27/83/95/781278395.db2.gz NDUBHYXVHTTYLL-UHFFFAOYSA-N 1 0 294.355 1.205 20 5 CDBDRO Cc1c(NC(=O)C[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000089742475 781311921 /nfs/dbraw/zinc/31/19/21/781311921.db2.gz SOOIFAZPSROSHD-JTQLQIEISA-N 1 0 263.297 1.841 20 5 CDBDRO CC[C@@H]1CN(C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000818972211 781433264 /nfs/dbraw/zinc/43/32/64/781433264.db2.gz UXEVAYABZYVNOO-SNVBAGLBSA-N 1 0 292.339 1.343 20 5 CDBDRO C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000887398842 781487346 /nfs/dbraw/zinc/48/73/46/781487346.db2.gz ILRZKRNKTYLOJA-BXUZGUMPSA-N 1 0 291.351 1.909 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000124596819 781535848 /nfs/dbraw/zinc/53/58/48/781535848.db2.gz SIGYILHRYWVTIX-UHFFFAOYSA-N 1 0 285.731 1.930 20 5 CDBDRO CC(C)NC(=[NH2+])NCCc1ccc([N+](=O)[O-])cc1 ZINC000052043338 781792738 /nfs/dbraw/zinc/79/27/38/781792738.db2.gz BKJOGDISBSBOIV-UHFFFAOYSA-N 1 0 250.302 1.660 20 5 CDBDRO CC(C)C[C@H](CO)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886142760 781820309 /nfs/dbraw/zinc/82/03/09/781820309.db2.gz KFTXZSVMIZHZIF-GFCCVEGCSA-N 1 0 267.329 1.829 20 5 CDBDRO Cc1c(Cn2cc([C@@H](C)[NH3+])nn2)cccc1[N+](=O)[O-] ZINC000124178449 783238244 /nfs/dbraw/zinc/23/82/44/783238244.db2.gz TXVWXXDSTQHJRD-SECBINFHSA-N 1 0 261.285 1.563 20 5 CDBDRO CC[C@]1([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000792441532 783299695 /nfs/dbraw/zinc/29/96/95/783299695.db2.gz MSGZSWJJTIGUDG-KBPBESRZSA-N 1 0 280.324 1.787 20 5 CDBDRO C[C@@H]1[NH2+]CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000923346544 783340738 /nfs/dbraw/zinc/34/07/38/783340738.db2.gz SGASGRCTCSSLNP-COPLHBTASA-N 1 0 279.340 1.310 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1C[C@H](O)C1 ZINC000873177285 783361066 /nfs/dbraw/zinc/36/10/66/783361066.db2.gz CQBKFZTXJPVADK-MJHDQNEOSA-N 1 0 280.324 1.854 20 5 CDBDRO C[C@@H](CCO)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134757941 783384416 /nfs/dbraw/zinc/38/44/16/783384416.db2.gz CBFFKRSKTBIQCH-GWCFXTLKSA-N 1 0 268.313 1.236 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000128578405 783414457 /nfs/dbraw/zinc/41/44/57/783414457.db2.gz ZGFGSXVDVPEYGW-TVQRCGJNSA-N 1 0 299.758 1.796 20 5 CDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)OCCC[NH+]1CCCC1 ZINC000800154243 783491570 /nfs/dbraw/zinc/49/15/70/783491570.db2.gz NBJVJJFWMGERNY-UHFFFAOYSA-N 1 0 296.327 1.211 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOCC[C@@H]1C ZINC000878374886 1166180961 /nfs/dbraw/zinc/18/09/61/1166180961.db2.gz YMRFQVBPJHBIAO-JTQLQIEISA-N 1 0 268.317 1.211 20 5 CDBDRO C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CO1 ZINC001356610931 1167508334 /nfs/dbraw/zinc/50/83/34/1167508334.db2.gz XPEUXVPFUSHGBZ-WDEREUQCSA-N 1 0 293.323 1.690 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC(C)=O)c1F ZINC001173176555 912279729 /nfs/dbraw/zinc/27/97/29/912279729.db2.gz HXATUHVZIYFCTC-QMMMGPOBSA-N 1 0 284.287 1.852 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001173223573 912308430 /nfs/dbraw/zinc/30/84/30/912308430.db2.gz AZHHJAAXSSAXJO-DGCLKSJQSA-N 1 0 291.351 1.723 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CN(C)CCO1 ZINC001173209781 912332541 /nfs/dbraw/zinc/33/25/41/912332541.db2.gz GCJIWRDMXPJKSS-SWLSCSKDSA-N 1 0 293.367 1.446 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)N1CCCC1 ZINC001173213691 912337182 /nfs/dbraw/zinc/33/71/82/912337182.db2.gz JWHDMYQBZQLSCA-LBPRGKRZSA-N 1 0 291.351 1.738 20 5 CDBDRO Cc1c(C[NH2+]CCc2ccnn2C)cccc1[N+](=O)[O-] ZINC000230780455 912384298 /nfs/dbraw/zinc/38/42/98/912384298.db2.gz HWBNWVKZTPWBBB-UHFFFAOYSA-N 1 0 274.324 1.969 20 5 CDBDRO CC[NH+](CC)[C@H]1CCN(Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000173463189 912460045 /nfs/dbraw/zinc/46/00/45/912460045.db2.gz FYOCMVFWUXZBEN-ZDUSSCGKSA-N 1 0 295.387 1.782 20 5 CDBDRO CC[N+](C)(C)Cc1ccccc1N[C@@H]1CCC(=O)NC1=O ZINC001167569579 896827520 /nfs/dbraw/zinc/82/75/20/896827520.db2.gz SQGCZVXJPVHAOL-CQSZACIVSA-O 1 0 290.387 1.500 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCO[C@H]2CCC[NH2+]C2)cc1 ZINC001217859818 897942149 /nfs/dbraw/zinc/94/21/49/897942149.db2.gz IRGSFEBOKUHTKU-ZDUSSCGKSA-N 1 0 266.297 1.742 20 5 CDBDRO C[C@@H]1COC[C@@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000699804212 914281551 /nfs/dbraw/zinc/28/15/51/914281551.db2.gz HGQJMLBNNXHZKM-ICCXJUOJSA-N 1 0 266.297 1.253 20 5 CDBDRO O=[N+]([O-])c1cccc(NC2CCN([C@@H]3CC[NH2+]C3)CC2)n1 ZINC001161463442 899392938 /nfs/dbraw/zinc/39/29/38/899392938.db2.gz CZVXWXRENFFTND-GFCCVEGCSA-N 1 0 291.355 1.228 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001343487252 901534278 /nfs/dbraw/zinc/53/42/78/901534278.db2.gz NMGWBZDJWNCVGL-MRVPVSSYSA-N 1 0 285.731 1.644 20 5 CDBDRO CN(c1c(Cl)cncc1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC000714243079 906816939 /nfs/dbraw/zinc/81/69/39/906816939.db2.gz WKSXWVZQHLIOGR-UHFFFAOYSA-N 1 0 258.709 1.817 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(-n2cc(C[NH3+])cn2)c1F ZINC001168258894 908006189 /nfs/dbraw/zinc/00/61/89/908006189.db2.gz DBHZGAXFGXSSHV-UHFFFAOYSA-N 1 0 250.233 1.687 20 5 CDBDRO C[C@@H](O)[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001307415682 909328148 /nfs/dbraw/zinc/32/81/48/909328148.db2.gz QXOAVDXYKUINJC-NWDGAFQWSA-N 1 0 279.340 1.486 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1COC1)CC2 ZINC001172896956 912034595 /nfs/dbraw/zinc/03/45/95/912034595.db2.gz UXTOWSRYGOYOGM-LBPRGKRZSA-N 1 0 262.309 1.831 20 5 CDBDRO CNC(=O)CC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904787 912036096 /nfs/dbraw/zinc/03/60/96/912036096.db2.gz ANRKIQQJYDSFHO-CYBMUJFWSA-N 1 0 291.351 1.568 20 5 CDBDRO [NH3+]C1CN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172897985 912039338 /nfs/dbraw/zinc/03/93/38/912039338.db2.gz FRELBNLQPFTHRR-ZDUSSCGKSA-N 1 0 261.325 1.485 20 5 CDBDRO NC(=O)C1([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172895568 912052992 /nfs/dbraw/zinc/05/29/92/912052992.db2.gz FSQIZQRBXUJURU-LBPRGKRZSA-N 1 0 289.335 1.450 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CSC1)C2 ZINC001254576785 936407419 /nfs/dbraw/zinc/40/74/19/936407419.db2.gz ZCEMHALYPZIQQP-JTQLQIEISA-N 1 0 250.323 1.767 20 5 CDBDRO COc1ncnc(NCC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000094738788 919703174 /nfs/dbraw/zinc/70/31/74/919703174.db2.gz ICSFKVQZTKVPIC-UHFFFAOYSA-N 1 0 283.332 1.393 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923283289 923705098 /nfs/dbraw/zinc/70/50/98/923705098.db2.gz UKXVHFGQGRQTRA-WFASDCNBSA-N 1 0 293.367 1.560 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923516179 923892817 /nfs/dbraw/zinc/89/28/17/923892817.db2.gz UDQLTMSVMWAYPU-GZBFAFLISA-N 1 0 291.351 1.170 20 5 CDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839536774 936914687 /nfs/dbraw/zinc/91/46/87/936914687.db2.gz QOAXFEVXQQVCKL-AAVRWANBSA-N 1 0 297.399 1.526 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000839647813 936917613 /nfs/dbraw/zinc/91/76/13/936917613.db2.gz WKYZKQSYWUZYFG-ZWNOBZJWSA-N 1 0 298.314 1.611 20 5 CDBDRO CC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001195760734 924704974 /nfs/dbraw/zinc/70/49/74/924704974.db2.gz DDFRQIVPQCEIBM-LSMGEYOZSA-N 1 0 295.383 1.542 20 5 CDBDRO COC(=O)[C@@H](C)CN(Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000102652689 924991351 /nfs/dbraw/zinc/99/13/51/924991351.db2.gz VYGBQFDKMSAQRG-VIFPVBQESA-N 1 0 282.300 1.022 20 5 CDBDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840888914 936966931 /nfs/dbraw/zinc/96/69/31/936966931.db2.gz DYXZJDWOFLCVFH-VHSXEESVSA-N 1 0 294.355 1.741 20 5 CDBDRO C[C@H](C[NH3+])C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841050174 936973399 /nfs/dbraw/zinc/97/33/99/936973399.db2.gz YVBCYOWCFJMPFI-GFCCVEGCSA-N 1 0 292.383 1.748 20 5 CDBDRO CN(CC[N+](=O)[O-])C(C)(C)C[NH+]1CCCCCC1 ZINC001119746140 925499116 /nfs/dbraw/zinc/49/91/16/925499116.db2.gz VOGSEDAOZKWFGZ-UHFFFAOYSA-N 1 0 257.378 1.850 20 5 CDBDRO [NH3+]Cc1ccnn1-c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001155125128 926565486 /nfs/dbraw/zinc/56/54/86/926565486.db2.gz TYLKXKXCKDWBGJ-UHFFFAOYSA-N 1 0 296.290 1.696 20 5 CDBDRO Nc1ccc(-c2noc(C3CC[NH2+]CC3)n2)cc1[N+](=O)[O-] ZINC000843169932 937118031 /nfs/dbraw/zinc/11/80/31/937118031.db2.gz WLMVUMCYRHQBCL-UHFFFAOYSA-N 1 0 289.295 1.694 20 5 CDBDRO C[NH2+]CCCc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000843238046 937124457 /nfs/dbraw/zinc/12/44/57/937124457.db2.gz KOEUYHDJZZEFIC-UHFFFAOYSA-N 1 0 252.230 1.390 20 5 CDBDRO CN(c1cc(Cl)cc([N+](=O)[O-])n1)C1CC[NH2+]CC1 ZINC001156172215 927356271 /nfs/dbraw/zinc/35/62/71/927356271.db2.gz LSWAFLNZFHWEQA-UHFFFAOYSA-N 1 0 270.720 1.831 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@@H]([NH3+])C1CC1)CC2 ZINC000843495946 937156223 /nfs/dbraw/zinc/15/62/23/937156223.db2.gz XVXPIKFXFGSKIJ-GFCCVEGCSA-N 1 0 289.335 1.920 20 5 CDBDRO Cc1ncn(-c2cccnc2[N+](=O)[O-])c1CSCC[NH3+] ZINC001168787559 927412343 /nfs/dbraw/zinc/41/23/43/927412343.db2.gz HMSHAQSARXLRDW-UHFFFAOYSA-N 1 0 293.352 1.676 20 5 CDBDRO Cc1c[n+]([O-])c(-n2cnc3ccc(C[NH3+])cc32)cc1[N+](=O)[O-] ZINC001168840992 927485120 /nfs/dbraw/zinc/48/51/20/927485120.db2.gz KPEXREJLFFJHBF-UHFFFAOYSA-N 1 0 299.290 1.334 20 5 CDBDRO CC[C@@H](C(=O)OCC(C)(C)[N+](=O)[O-])[NH+](CC)CC ZINC000851128273 927523566 /nfs/dbraw/zinc/52/35/66/927523566.db2.gz OYIUMCXQYJUPGH-JTQLQIEISA-N 1 0 260.334 1.705 20 5 CDBDRO CN(C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168977731 927562266 /nfs/dbraw/zinc/56/22/66/927562266.db2.gz LNOZFJIUOXHAQI-MQYQWHSLSA-N 1 0 269.389 1.894 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H](CO)C2CCCCC2)C1 ZINC001168978147 927565805 /nfs/dbraw/zinc/56/58/05/927565805.db2.gz OVQIBQDVGVVBNG-FPMFFAJLSA-N 1 0 270.373 1.963 20 5 CDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168983750 927572586 /nfs/dbraw/zinc/57/25/86/927572586.db2.gz LDOJACHUFZAPRF-YFKTTZPYSA-N 1 0 270.329 1.363 20 5 CDBDRO COC(=O)C1(N[C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1 ZINC001168961232 927582941 /nfs/dbraw/zinc/58/29/41/927582941.db2.gz IGTFWLBANBRXLU-UWVGGRQHSA-N 1 0 256.302 1.117 20 5 CDBDRO COC(=O)c1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001169001249 927605065 /nfs/dbraw/zinc/60/50/65/927605065.db2.gz DYRXAXJGJCMTBW-JQWIXIFHSA-N 1 0 293.323 1.403 20 5 CDBDRO COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169001958 927605342 /nfs/dbraw/zinc/60/53/42/927605342.db2.gz IQLJPHTUWLUEAJ-FVCCEPFGSA-N 1 0 284.356 1.753 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H]2COc3cnccc32)C1 ZINC001169001989 927605809 /nfs/dbraw/zinc/60/58/09/927605809.db2.gz IXJHWFOROSMYFT-GRYCIOLGSA-N 1 0 277.324 1.593 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cnc(Cl)cn2)C1 ZINC001169001930 927606017 /nfs/dbraw/zinc/60/60/17/927606017.db2.gz IQHGSCNGOAGPDR-IUCAKERBSA-N 1 0 270.720 1.665 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(c3cnccn3)CC2)C1 ZINC001169005766 927608878 /nfs/dbraw/zinc/60/88/78/927608878.db2.gz CWSPFGLCYOMHBO-QWHCGFSZSA-N 1 0 291.355 1.044 20 5 CDBDRO COCC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169007216 927612135 /nfs/dbraw/zinc/61/21/35/927612135.db2.gz LWVCWIMJJSNFHE-CHWSQXEVSA-N 1 0 256.346 1.790 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)C1 ZINC001169011928 927616697 /nfs/dbraw/zinc/61/66/97/927616697.db2.gz NREBKQGYNFANLJ-ZNSHCXBVSA-N 1 0 296.289 1.534 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC3(CC2)OCCO3)C1 ZINC001169010572 927616935 /nfs/dbraw/zinc/61/69/35/927616935.db2.gz DSYKFRZGDXGAQN-RYUDHWBXSA-N 1 0 270.329 1.271 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCN2CCC[C@H](F)C2)C1 ZINC001168990252 927628961 /nfs/dbraw/zinc/62/89/61/927628961.db2.gz ZBMZTXPNRGHWEE-FRRDWIJNSA-N 1 0 273.352 1.455 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H](N2CC[NH+](CC3CC3)CC2)C1 ZINC001169027861 927632917 /nfs/dbraw/zinc/63/29/17/927632917.db2.gz RGALLTCLYFNSDZ-UONOGXRCSA-N 1 0 267.373 1.459 20 5 CDBDRO COC(=O)C[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035989 927644307 /nfs/dbraw/zinc/64/43/07/927644307.db2.gz DZYZEOSMWPANCU-SDDRHHMPSA-N 1 0 270.329 1.459 20 5 CDBDRO CC[C@@]12C[C@@H](CO1)[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169039020 927649759 /nfs/dbraw/zinc/64/97/59/927649759.db2.gz MJYKBFDKVQOIHH-RNJOBUHISA-N 1 0 254.330 1.685 20 5 CDBDRO Cc1noc([C@@H]2CCC[N@@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001169039251 927650514 /nfs/dbraw/zinc/65/05/14/927650514.db2.gz OPONELLQOCUNIQ-WOPDTQHZSA-N 1 0 280.328 1.960 20 5 CDBDRO COC(=O)CC[N@H+](C1CC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046879 927666269 /nfs/dbraw/zinc/66/62/69/927666269.db2.gz OCQSDGULMJZLQW-PWSUYJOCSA-N 1 0 270.329 1.459 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N(c2ccccn2)[C@@H]2CC[NH2+]C2)C1 ZINC001169053850 927673131 /nfs/dbraw/zinc/67/31/31/927673131.db2.gz JWXSYFIOEVUILL-HZSPNIEDSA-N 1 0 290.367 1.695 20 5 CDBDRO C[NH+](C)CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804318007 927986284 /nfs/dbraw/zinc/98/62/84/927986284.db2.gz VRNYQVUJBGLHBP-UHFFFAOYSA-N 1 0 254.246 1.477 20 5 CDBDRO CC[C@@H]([NH2+]C)c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000854135207 928159441 /nfs/dbraw/zinc/15/94/41/928159441.db2.gz YGGKDYXZJSAHOD-SECBINFHSA-N 1 0 277.284 1.898 20 5 CDBDRO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783652577 937277268 /nfs/dbraw/zinc/27/72/68/937277268.db2.gz CSSRXAXGFBFQCB-MRVPVSSYSA-N 1 0 285.731 1.862 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@H](C)[NH3+] ZINC000859614330 929038740 /nfs/dbraw/zinc/03/87/40/929038740.db2.gz DDEPLEWPHYFUOZ-VIFPVBQESA-N 1 0 266.301 1.714 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCN2CC[C@H](O)C2)cc1Cl ZINC000862549897 929425722 /nfs/dbraw/zinc/42/57/22/929425722.db2.gz AKVCRMXRWUCWAV-NSHDSACASA-N 1 0 299.758 1.404 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000882479049 930008078 /nfs/dbraw/zinc/00/80/78/930008078.db2.gz LPDJIPRESDZRBI-LLVKDONJSA-N 1 0 293.323 1.427 20 5 CDBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882543687 930035258 /nfs/dbraw/zinc/03/52/58/930035258.db2.gz JYVDLNZOOZQPGI-DTORHVGOSA-N 1 0 268.292 1.881 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000882959742 930110187 /nfs/dbraw/zinc/11/01/87/930110187.db2.gz OPZXDBULAKCNMA-NSHDSACASA-N 1 0 293.323 1.888 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000882959277 930111297 /nfs/dbraw/zinc/11/12/97/930111297.db2.gz AFVAVYNASFTDBZ-SECBINFHSA-N 1 0 294.311 1.283 20 5 CDBDRO C[C@H](Nc1cc(Cl)ncc1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001159498910 930308835 /nfs/dbraw/zinc/30/88/35/930308835.db2.gz RYVVDTJMOJRQIS-XVKPBYJWSA-N 1 0 286.719 1.432 20 5 CDBDRO Cn1c(C(=O)OCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000800124400 930410875 /nfs/dbraw/zinc/41/08/75/930410875.db2.gz XMEXHNOFCBCTKT-UHFFFAOYSA-N 1 0 281.312 1.576 20 5 CDBDRO CCOc1cc([N+](=O)[O-])ccc1N[C@]([NH3+])(CC)CO ZINC001170864413 930511860 /nfs/dbraw/zinc/51/18/60/930511860.db2.gz HVMAEHCGWRWYSW-GFCCVEGCSA-N 1 0 269.301 1.463 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CC[NH2+]1)CC2 ZINC000818608644 930733861 /nfs/dbraw/zinc/73/38/61/930733861.db2.gz JUMYERAXJYGEDZ-SNVBAGLBSA-N 1 0 261.281 1.154 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2cscn2)cc1 ZINC000819163069 930767623 /nfs/dbraw/zinc/76/76/23/930767623.db2.gz FTRDSQOLDAQTDC-ZDUSSCGKSA-N 1 0 293.348 1.917 20 5 CDBDRO COC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C(C)C ZINC000886127133 930811169 /nfs/dbraw/zinc/81/11/69/930811169.db2.gz BTIXYRINDFQANN-NSHDSACASA-N 1 0 253.302 1.750 20 5 CDBDRO CO[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])[C@@H](C)C1 ZINC000886188201 930821438 /nfs/dbraw/zinc/82/14/38/930821438.db2.gz MWNFXMDSURYAKY-CMPLNLGQSA-N 1 0 265.313 1.989 20 5 CDBDRO COC[C@@]1(C)CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886223145 930828744 /nfs/dbraw/zinc/82/87/44/930828744.db2.gz HRXGTAKDNLFRQY-ZDUSSCGKSA-N 1 0 265.313 1.848 20 5 CDBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886249568 930840670 /nfs/dbraw/zinc/84/06/70/930840670.db2.gz NLSIQDYHCZRGLG-ZYHUDNBSSA-N 1 0 265.313 1.583 20 5 CDBDRO [NH3+][C@H]1CCCCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886841325 930973099 /nfs/dbraw/zinc/97/30/99/930973099.db2.gz IEJLFCBJKCVUJO-LBPRGKRZSA-N 1 0 264.329 1.693 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@](O)(C3CC3)C2)cc1 ZINC001116823127 937474615 /nfs/dbraw/zinc/47/46/15/937474615.db2.gz AHVWZEGNJGHTJC-HUUCEWRRSA-N 1 0 292.335 1.475 20 5 CDBDRO C[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]1CCCC1 ZINC000823125078 931257173 /nfs/dbraw/zinc/25/71/73/931257173.db2.gz VKBIOALNUJZPSR-NSHDSACASA-N 1 0 271.361 1.422 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823195346 931271246 /nfs/dbraw/zinc/27/12/46/931271246.db2.gz VKMXOTLXJPMMSP-HIFRSBDPSA-N 1 0 293.367 1.654 20 5 CDBDRO CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000843990089 931522106 /nfs/dbraw/zinc/52/21/06/931522106.db2.gz QWZRNCJENSLYTI-LBPRGKRZSA-N 1 0 285.388 1.765 20 5 CDBDRO COc1ccc(C[C@@H](C)[N@H+](C)CCO)c([N+](=O)[O-])c1 ZINC001246910814 932417860 /nfs/dbraw/zinc/41/78/60/932417860.db2.gz DIDHICGNWDKWIM-SNVBAGLBSA-N 1 0 268.313 1.459 20 5 CDBDRO Nc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC001154987490 937616800 /nfs/dbraw/zinc/61/68/00/937616800.db2.gz XUAVDZXFCDKPGB-SFYZADRCSA-N 1 0 251.290 1.254 20 5 CDBDRO COC(=O)c1cc(NC[C@@H]2CCCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC001171333744 932736922 /nfs/dbraw/zinc/73/69/22/932736922.db2.gz DOVQKSPLCDBLDE-NSHDSACASA-N 1 0 293.323 1.935 20 5 CDBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cnnn1C ZINC000925641469 932919546 /nfs/dbraw/zinc/91/95/46/932919546.db2.gz NKHUCIIJWDFDRT-JTQLQIEISA-N 1 0 275.312 1.617 20 5 CDBDRO O=[N+]([O-])CCN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000930614982 933412509 /nfs/dbraw/zinc/41/25/09/933412509.db2.gz LJVOOSYLLYIQCB-UHFFFAOYSA-N 1 0 263.341 1.517 20 5 CDBDRO C[C@@H]1C[N@H+](CCCNc2c([N+](=O)[O-])cnn2C)CCCO1 ZINC001120037756 937775988 /nfs/dbraw/zinc/77/59/88/937775988.db2.gz KGNOPDMUAANDKR-LLVKDONJSA-N 1 0 297.359 1.241 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000037646944 934753503 /nfs/dbraw/zinc/75/35/03/934753503.db2.gz SDPVCNQMYKUZDW-SECBINFHSA-N 1 0 297.742 1.930 20 5 CDBDRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001120605055 937816433 /nfs/dbraw/zinc/81/64/33/937816433.db2.gz WUPOUEZSENSQHA-CYZMBNFOSA-N 1 0 296.371 1.567 20 5 CDBDRO O=C(NC1CC2(C1)CC([NH2+]CCCF)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001121081882 937856241 /nfs/dbraw/zinc/85/62/41/937856241.db2.gz UJDVFRRQKKXSQV-VTRUDKGBSA-N 1 0 299.346 1.028 20 5 CDBDRO [NH3+]CCc1nccn1-c1nc2ccccc2cc1[N+](=O)[O-] ZINC001156479355 938373239 /nfs/dbraw/zinc/37/32/39/938373239.db2.gz ZGNLZRCAVHCFRP-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO COc1cc(-n2nc(C[NH3+])c3ccccc32)ncc1[N+](=O)[O-] ZINC001156855715 938426265 /nfs/dbraw/zinc/42/62/65/938426265.db2.gz NNKNZJDRUZAMSE-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO CCOc1nc(-n2ccc3c2CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001157449525 938493593 /nfs/dbraw/zinc/49/35/93/938493593.db2.gz RDYGFXZOZGWTEX-UHFFFAOYSA-N 1 0 288.307 1.825 20 5 CDBDRO CCC[NH+]1C[C@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])C[C@@H]2C1 ZINC001157691859 938532981 /nfs/dbraw/zinc/53/29/81/938532981.db2.gz ZXOMUUUDEKSNFO-RYUDHWBXSA-N 1 0 292.339 1.006 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCCN1c1c([N+](=O)[O-])cc[n+]([O-])c1Cl ZINC001157741628 938538700 /nfs/dbraw/zinc/53/87/00/938538700.db2.gz MCUXKJBVKSFYRO-HTQZYQBOSA-N 1 0 286.719 1.198 20 5 CDBDRO [NH3+]CCc1cnn(-c2ccc3cccc([N+](=O)[O-])c3n2)c1 ZINC001158098869 938582675 /nfs/dbraw/zinc/58/26/75/938582675.db2.gz MCNHLILGANMBKR-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO CC1(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001158534922 938633577 /nfs/dbraw/zinc/63/35/77/938633577.db2.gz LCPZRQZAEBCQSB-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(N2C[C@@H]([NH3+])C3(COC3)C2)nc1Cl ZINC001158763761 938661427 /nfs/dbraw/zinc/66/14/27/938661427.db2.gz YJZNGTLJLQOBEH-SECBINFHSA-N 1 0 298.730 1.116 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(NC[C@@H]2COCC[NH2+]2)nc1Cl ZINC001159042950 938695818 /nfs/dbraw/zinc/69/58/18/938695818.db2.gz MLNWRYYTTBSBAR-MRVPVSSYSA-N 1 0 286.719 1.352 20 5 CDBDRO C[NH+]1CC(CNc2cnc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001159216482 938712831 /nfs/dbraw/zinc/71/28/31/938712831.db2.gz ZATZQXAAUWQZKY-UHFFFAOYSA-N 1 0 273.296 1.512 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1ncc([N+](=O)[O-])c2ccccc21 ZINC001159743673 938749223 /nfs/dbraw/zinc/74/92/23/938749223.db2.gz JXUQBCUWGHNNCU-ZDUSSCGKSA-N 1 0 276.296 1.612 20 5 CDBDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1cc([N+](=O)[O-])cc[n+]1[O-])C2 ZINC001160465529 938789348 /nfs/dbraw/zinc/78/93/48/938789348.db2.gz JVDZYAYSOJSZBZ-CNDDSTCGSA-N 1 0 292.339 1.655 20 5 CDBDRO [NH3+]C1(c2cccnc2)CCN(c2cccc([N+](=O)[O-])n2)CC1 ZINC001161584435 938914688 /nfs/dbraw/zinc/91/46/88/938914688.db2.gz ZMKPKUGAAHDPHK-UHFFFAOYSA-N 1 0 299.334 1.839 20 5 CDBDRO CN(C)/C=C/c1cc(N[C@H]2C[C@@](C)([NH3+])C2)ncc1[N+](=O)[O-] ZINC001162328583 939024420 /nfs/dbraw/zinc/02/44/20/939024420.db2.gz GJEMMRJKBBLKNJ-SSJMGXCCSA-N 1 0 291.355 1.814 20 5 CDBDRO C[N@@H+]1CCC[C@@](C)(Nc2cc([N+](=O)[O-])ccn2)C1 ZINC001162331487 939026128 /nfs/dbraw/zinc/02/61/28/939026128.db2.gz QVBWRRFXPXVLJY-GFCCVEGCSA-N 1 0 250.302 1.886 20 5 CDBDRO COc1ncc([N+](=O)[O-])c(NC[C@H]2CCC[NH2+]C[C@H]2C)n1 ZINC001162456285 939059499 /nfs/dbraw/zinc/05/94/99/939059499.db2.gz WCZPPJXWQBCCIQ-NXEZZACHSA-N 1 0 295.343 1.441 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[C@H](F)C[NH2+]2)n1 ZINC001162477954 939064316 /nfs/dbraw/zinc/06/43/16/939064316.db2.gz PJLLLNVXNRDBSY-IUCAKERBSA-N 1 0 254.265 1.410 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1N[C@@H]1CC[NH2+][C@@H]1C ZINC001162673309 939111244 /nfs/dbraw/zinc/11/12/44/939111244.db2.gz MAQRQZHRHVYDDK-HTQZYQBOSA-N 1 0 252.274 1.161 20 5 CDBDRO CC[NH+](CC)CCCCNc1nn(C)cc1[N+](=O)[O-] ZINC001162770917 939135784 /nfs/dbraw/zinc/13/57/84/939135784.db2.gz ZKURCUXMADTSON-UHFFFAOYSA-N 1 0 269.349 1.862 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3C=C[C@@H]4C[NH2+]C[C@@H]34)c2c1 ZINC001162793525 939141679 /nfs/dbraw/zinc/14/16/79/939141679.db2.gz LODFMYQGBITQHV-GAJTVXKRSA-N 1 0 297.318 1.724 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3C=C[C@@H]4C[NH2+]C[C@H]34)c21 ZINC001162801518 939145576 /nfs/dbraw/zinc/14/55/76/939145576.db2.gz JWJLMDYESLUWDS-OUAUKWLOSA-N 1 0 297.318 1.724 20 5 CDBDRO COc1cc(N[C@@H]2COC[C@@H]2[NH3+])cc([N+](=O)[O-])c1C ZINC001162925146 939161848 /nfs/dbraw/zinc/16/18/48/939161848.db2.gz OZNZNQRCTLKNBR-VHSXEESVSA-N 1 0 267.285 1.050 20 5 CDBDRO Cc1c(F)cnc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c1[N+](=O)[O-] ZINC001163261298 939234856 /nfs/dbraw/zinc/23/48/56/939234856.db2.gz PKSYTEYWESDXLT-YWVKMMECSA-N 1 0 280.303 1.847 20 5 CDBDRO O=[N+]([O-])c1cccnc1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163278020 939238346 /nfs/dbraw/zinc/23/83/46/939238346.db2.gz GEATXXARZKGCBX-BXUZGUMPSA-N 1 0 292.339 1.560 20 5 CDBDRO COc1cc(NCC2([NH3+])CCC2)ncc1[N+](=O)[O-] ZINC001163321361 939246124 /nfs/dbraw/zinc/24/61/24/939246124.db2.gz RERMBPYQILCLIZ-UHFFFAOYSA-N 1 0 252.274 1.292 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1N[C@H](C)C[NH+](C)C ZINC001163772412 939326880 /nfs/dbraw/zinc/32/68/80/939326880.db2.gz LYIJCMKBOMGUFB-MRVPVSSYSA-N 1 0 253.306 1.394 20 5 CDBDRO [NH3+]CCONc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001164429795 939473026 /nfs/dbraw/zinc/47/30/26/939473026.db2.gz RLGTZQBKVWJNIL-UHFFFAOYSA-N 1 0 265.191 1.916 20 5 CDBDRO CCOc1nc(N2C[C@@H](C[NH3+])CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC001164467893 939476425 /nfs/dbraw/zinc/47/64/25/939476425.db2.gz OBRCJBSQIGZTGW-WDEREUQCSA-N 1 0 294.355 1.952 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H](C[NH3+])CC[C@@H]2C)n1 ZINC001164467733 939476454 /nfs/dbraw/zinc/47/64/54/939476454.db2.gz LXDHSMIVOPBAIR-WPRPVWTQSA-N 1 0 295.343 1.265 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001165296328 939542033 /nfs/dbraw/zinc/54/20/33/939542033.db2.gz CTCNGURVWVAUIW-JGVFFNPUSA-N 1 0 268.704 1.584 20 5 CDBDRO O=[N+]([O-])c1cc(N2CCC[C@@H]3[NH2+]C[C@H]32)nc2[nH]ccc21 ZINC001165394789 939558209 /nfs/dbraw/zinc/55/82/09/939558209.db2.gz RFQUWFKTSJHRCS-GXSJLCMTSA-N 1 0 273.296 1.412 20 5 CDBDRO COc1ccc(C(=O)CO[C@H](C)C[N+](C)(C)C)cc1 ZINC001204805896 939792911 /nfs/dbraw/zinc/79/29/11/939792911.db2.gz JALXTRWPSVOGDG-GFCCVEGCSA-N 1 0 266.361 1.989 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@@H]1CCC[NH2+]C1 ZINC001217860198 941024753 /nfs/dbraw/zinc/02/47/53/941024753.db2.gz PHXYEAMMKDJTGU-GFCCVEGCSA-N 1 0 294.307 1.650 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)nc1O[C@H]1CCC[NH2+]C1 ZINC001218279866 941050759 /nfs/dbraw/zinc/05/07/59/941050759.db2.gz UKNCFDSBJWKAKT-ZETCQYMHSA-N 1 0 257.677 1.774 20 5 CDBDRO CCc1nc2c(c(O[C@H](C)C[N+](C)(C)C)n1)CNC2 ZINC001218355321 941209090 /nfs/dbraw/zinc/20/90/90/941209090.db2.gz HMJVMRYVNZDXRM-SNVBAGLBSA-N 1 0 265.381 1.116 20 5 CDBDRO CC1(C)CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000720730292 941474093 /nfs/dbraw/zinc/47/40/93/941474093.db2.gz ZLQBTFNLQHFECV-LLVKDONJSA-N 1 0 281.287 1.543 20 5 CDBDRO COC(=O)c1ccc(CO[C@@H](C)C[N+](C)(C)C)o1 ZINC001222782574 941633945 /nfs/dbraw/zinc/63/39/45/941633945.db2.gz LRHQNSJXYDMUGW-JTQLQIEISA-N 1 0 256.322 1.678 20 5 CDBDRO COC(=O)c1ccc(CO[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001223414177 941676313 /nfs/dbraw/zinc/67/63/13/941676313.db2.gz YBJBDSLACDZHAT-SNVBAGLBSA-N 1 0 296.323 1.848 20 5 CDBDRO COC(=O)c1ccnc(CO[C@H](C)C[N+](C)(C)C)c1 ZINC001223989004 941712459 /nfs/dbraw/zinc/71/24/59/941712459.db2.gz CWKFUBBBUYKFNU-LLVKDONJSA-N 1 0 267.349 1.480 20 5 CDBDRO COc1cccc(NC(=O)CO[C@H](C)C[N+](C)(C)C)c1 ZINC001224447056 941755732 /nfs/dbraw/zinc/75/57/32/941755732.db2.gz JDRXRNRMPDHBHZ-GFCCVEGCSA-O 1 0 281.376 1.745 20 5 CDBDRO C[N+](C)(C)CCO[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC001224775767 941790250 /nfs/dbraw/zinc/79/02/50/941790250.db2.gz OMBPFIAOOUPMFJ-ZDUSSCGKSA-N 1 0 294.375 1.896 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCSc1ccccc1 ZINC001224905695 941805043 /nfs/dbraw/zinc/80/50/43/941805043.db2.gz FFOXTPQMHDFQLJ-CYBMUJFWSA-N 1 0 298.428 1.779 20 5 CDBDRO Cc1ccc(C)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001225224257 941831273 /nfs/dbraw/zinc/83/12/73/941831273.db2.gz BTLVDOPYVBTCDZ-CYBMUJFWSA-N 1 0 266.361 1.666 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@H](C)C[NH+](C)C ZINC001225449691 941862145 /nfs/dbraw/zinc/86/21/45/941862145.db2.gz YQQCXHVMAPRASG-SECBINFHSA-N 1 0 282.296 1.710 20 5 CDBDRO COC(=O)c1cc(OC)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001225812937 941915938 /nfs/dbraw/zinc/91/59/38/941915938.db2.gz LVGONTYZLODYRL-NSHDSACASA-N 1 0 282.360 1.955 20 5 CDBDRO C[C@@H](C[NH+](C)C)Oc1ncc(Cl)cc1[N+](=O)[O-] ZINC001226130879 941955569 /nfs/dbraw/zinc/95/55/69/941955569.db2.gz XBOLIOXQKFLMCM-ZETCQYMHSA-N 1 0 259.693 1.972 20 5 CDBDRO CC[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])nc2)C1 ZINC001226711347 942054020 /nfs/dbraw/zinc/05/40/20/942054020.db2.gz CMDGFAHIVWJYGE-NSHDSACASA-N 1 0 251.286 1.853 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC001227046102 942120149 /nfs/dbraw/zinc/12/01/49/942120149.db2.gz FBKFHFAQJFWWEY-NSHDSACASA-N 1 0 294.307 1.854 20 5 CDBDRO CCC(=O)c1cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001228115716 942270584 /nfs/dbraw/zinc/27/05/84/942270584.db2.gz VYKQKIOGSZXOSX-CYBMUJFWSA-N 1 0 294.371 1.642 20 5 CDBDRO COC(=O)c1c(O[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC001229043770 942411646 /nfs/dbraw/zinc/41/16/46/942411646.db2.gz BBBHPROGIBKKAY-SNVBAGLBSA-N 1 0 294.307 1.854 20 5 CDBDRO C[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229396417 942464967 /nfs/dbraw/zinc/46/49/67/942464967.db2.gz SZTBAVPZMGAEDC-JTQLQIEISA-N 1 0 252.270 1.773 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1nc2c[nH]cc([N+](=O)[O-])c-2n1 ZINC001230231025 942593509 /nfs/dbraw/zinc/59/35/09/942593509.db2.gz AYKRASZUFZUESX-MRVPVSSYSA-N 1 0 280.308 1.340 20 5 CDBDRO COC(=O)c1cnc(Cl)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001231174301 942809312 /nfs/dbraw/zinc/80/93/12/942809312.db2.gz NZTAQEKJSOEUGM-SECBINFHSA-N 1 0 287.767 1.995 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC001233597205 943623821 /nfs/dbraw/zinc/62/38/21/943623821.db2.gz JNLYEFIWLGRPKX-SSDOTTSWSA-N 1 0 258.224 1.956 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(-n2cncn2)cc1 ZINC001233920302 943690824 /nfs/dbraw/zinc/69/08/24/943690824.db2.gz FIELVWMPEWJLEY-LBPRGKRZSA-N 1 0 261.349 1.741 20 5 CDBDRO CCN1CC(Oc2ccc(C(=O)OC)c([N+](=O)[O-])c2)C1 ZINC001234048580 943725914 /nfs/dbraw/zinc/72/59/14/943725914.db2.gz MQGUZZYEQVGGTR-UHFFFAOYSA-N 1 0 280.280 1.464 20 5 CDBDRO COC(=O)c1ccc(O[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001234052319 943728032 /nfs/dbraw/zinc/72/80/32/943728032.db2.gz RMEZVOBBEDXFAZ-LLVKDONJSA-N 1 0 294.307 1.854 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC001261490181 946140932 /nfs/dbraw/zinc/14/09/32/946140932.db2.gz NMQTUKZTCIEZLW-SNVBAGLBSA-N 1 0 292.339 1.366 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(C)(C)CO ZINC001254533531 947512847 /nfs/dbraw/zinc/51/28/47/947512847.db2.gz MACPHMIUUSAYPC-SNVBAGLBSA-N 1 0 252.314 1.886 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCOCC1 ZINC001254533479 947513009 /nfs/dbraw/zinc/51/30/09/947513009.db2.gz LJRDGIGVFJHLNW-ZDUSSCGKSA-N 1 0 293.367 1.448 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CNC(=O)C1 ZINC001254536175 947515511 /nfs/dbraw/zinc/51/55/11/947515511.db2.gz APKQHFZLKACGMO-MNOVXSKESA-N 1 0 277.324 1.252 20 5 CDBDRO COC(=O)[C@H]1C[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254574151 947533079 /nfs/dbraw/zinc/53/30/79/947533079.db2.gz GMGYADVNYFIDGU-AVGNSLFASA-N 1 0 290.319 1.603 20 5 CDBDRO Cc1cnc(C[NH3+])n1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254575374 947535715 /nfs/dbraw/zinc/53/57/15/947535715.db2.gz QECNXWHJPVJGQY-ZDUSSCGKSA-N 1 0 272.308 1.898 20 5 CDBDRO CN1C[C@H](C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1=O ZINC001254575601 947536217 /nfs/dbraw/zinc/53/62/17/947536217.db2.gz RGUNSHAUCYNMLW-GXFFZTMASA-N 1 0 289.335 1.130 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1(CO)CCCC1)C2 ZINC001254581177 947537027 /nfs/dbraw/zinc/53/70/27/947537027.db2.gz JKHDDKIDSJQZCE-ZDUSSCGKSA-N 1 0 276.336 1.957 20 5 CDBDRO C[C@@H](CO)CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254582426 947540573 /nfs/dbraw/zinc/54/05/73/947540573.db2.gz UJUVFTHZRLFRGA-ZWNOBZJWSA-N 1 0 264.325 1.670 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@@H](F)[C@H](O)C1)C2 ZINC001254593154 947546274 /nfs/dbraw/zinc/54/62/74/947546274.db2.gz JMLMZPFUKTUSML-MGPQQGTHSA-N 1 0 280.299 1.467 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C[NH3+] ZINC001246913714 948516082 /nfs/dbraw/zinc/51/60/82/948516082.db2.gz KPSGAXPIAQUHOM-SMDDNHRTSA-N 1 0 263.341 1.949 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001327485536 954901547 /nfs/dbraw/zinc/90/15/47/954901547.db2.gz GUYKOOANIRUYPZ-CYBMUJFWSA-N 1 0 290.323 1.357 20 5 CDBDRO [NH3+]Cc1nccnc1N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001306984085 956354252 /nfs/dbraw/zinc/35/42/52/956354252.db2.gz MPEUZIHSABFBSI-UHFFFAOYSA-N 1 0 271.280 1.364 20 5 CDBDRO Cn1cc([N+](=O)[O-])c(N2CC[N@H+](C)C3(CCCCC3)C2)n1 ZINC001307124741 956364791 /nfs/dbraw/zinc/36/47/91/956364791.db2.gz SCHHTMXHYXPIRV-UHFFFAOYSA-N 1 0 293.371 1.783 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2[C@H]2CCCO2)n1 ZINC001308163071 956483818 /nfs/dbraw/zinc/48/38/18/956483818.db2.gz YQGZXCUTLVQQOL-CHWSQXEVSA-N 1 0 294.355 1.825 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@H](C)C[C@H](C)O)c1[N+](=O)[O-] ZINC001308637473 956556423 /nfs/dbraw/zinc/55/64/23/956556423.db2.gz MOIHELFKGGZZQF-BDAKNGLRSA-N 1 0 284.312 1.558 20 5 CDBDRO [NH3+][C@@H](CC(F)F)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001332010154 957397224 /nfs/dbraw/zinc/39/72/24/957397224.db2.gz AZPGUPIDZTWNJR-NSHDSACASA-N 1 0 285.294 1.935 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@](CO)(C(C)C)C1 ZINC001333413822 958321006 /nfs/dbraw/zinc/32/10/06/958321006.db2.gz LSCCRWTYRWCDSZ-AWEZNQCLSA-N 1 0 296.371 1.440 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001336684558 960463969 /nfs/dbraw/zinc/46/39/69/960463969.db2.gz JHIZGMFOCQNGIM-UWVGGRQHSA-N 1 0 265.317 1.367 20 5 CDBDRO C[C@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC001337788139 961420588 /nfs/dbraw/zinc/42/05/88/961420588.db2.gz MQMBRUJAAAULMS-DTWKUNHWSA-N 1 0 265.317 1.467 20 5 CDBDRO CC(C)[C@H](CN(C)C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001338549266 961872603 /nfs/dbraw/zinc/87/26/03/961872603.db2.gz FXBBQTNGUJLAFM-GJZGRUSLSA-N 1 0 295.383 1.804 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001340118729 962756148 /nfs/dbraw/zinc/75/61/48/962756148.db2.gz MBOBRCTVEBTUJS-VIFPVBQESA-N 1 0 283.303 1.378 20 5 CDBDRO C[C@@H](CNC(=O)CC[NH2+]C1CC1)c1ccccc1[N+](=O)[O-] ZINC001341429569 963412306 /nfs/dbraw/zinc/41/23/06/963412306.db2.gz TXUVULWLFSDFTL-NSHDSACASA-N 1 0 291.351 1.957 20 5 CDBDRO [NH3+]CC[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC001342646450 963788039 /nfs/dbraw/zinc/78/80/39/963788039.db2.gz SXXLECWMZAESHF-LLVKDONJSA-N 1 0 293.323 1.171 20 5 CDBDRO C[C@H](C[NH3+])C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001342832194 963836107 /nfs/dbraw/zinc/83/61/07/963836107.db2.gz MMUMUUQXSPFAAA-NXEZZACHSA-N 1 0 265.313 1.409 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CN3CCC2CC3)c1 ZINC001346179251 964971507 /nfs/dbraw/zinc/97/15/07/964971507.db2.gz INVMNFICFHBMPV-LSDHHAIUSA-N 1 0 291.351 1.312 20 5 CDBDRO Cc1cc(NC(=O)NC[C@@H](C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001347891273 965739054 /nfs/dbraw/zinc/73/90/54/965739054.db2.gz TZJHYCIMUXFBIO-SNVBAGLBSA-N 1 0 280.328 1.975 20 5 CDBDRO CCN(CCC[NH+](C)C)c1c([N+](=O)[O-])cnn1C ZINC001352011415 967058351 /nfs/dbraw/zinc/05/83/51/967058351.db2.gz HBYNMFPUTBVSQC-UHFFFAOYSA-N 1 0 255.322 1.106 20 5 CDBDRO O=C(NC[C@@H]1CCCCC[NH2+]1)c1c(F)cccc1[N+](=O)[O-] ZINC001358474925 969743295 /nfs/dbraw/zinc/74/32/95/969743295.db2.gz KNJWBPZBRTZDDW-JTQLQIEISA-N 1 0 295.314 1.996 20 5 CDBDRO Cc1cnc(OC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000090692858 1174188395 /nfs/dbraw/zinc/18/83/95/1174188395.db2.gz ISVABRSRMFNHJA-JTQLQIEISA-N 1 0 251.286 1.677 20 5 CDBDRO CCN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC001577637186 1171709453 /nfs/dbraw/zinc/70/94/53/1171709453.db2.gz YLCKQOULHZKUSP-GFCCVEGCSA-N 1 0 295.314 1.487 20 5 CDBDRO CC[NH+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000588996689 342477939 /nfs/dbraw/zinc/47/79/39/342477939.db2.gz OBKVTHYEZVXWIX-QWRGUYRKSA-N 1 0 292.339 1.545 20 5 CDBDRO Cc1c(C[NH2+]CCn2cccn2)cccc1[N+](=O)[O-] ZINC000049076586 781919050 /nfs/dbraw/zinc/91/90/50/781919050.db2.gz NZRUEMKCGDAXDP-UHFFFAOYSA-N 1 0 260.297 1.890 20 5 CDBDRO CC(C)N(CC(N)=O)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083132104 342051509 /nfs/dbraw/zinc/05/15/09/342051509.db2.gz ZZPKHBKWVOWZAQ-UHFFFAOYSA-N 1 0 292.295 1.432 20 5 CDBDRO O=C1NCCC[C@@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000590971663 342612284 /nfs/dbraw/zinc/61/22/84/342612284.db2.gz DQBMTQMOZUSSNI-SECBINFHSA-N 1 0 269.326 1.272 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591298959 342624547 /nfs/dbraw/zinc/62/45/47/342624547.db2.gz NGZFQZRKNZBQHM-MFKMUULPSA-N 1 0 290.323 1.811 20 5 CDBDRO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000047745624 342119164 /nfs/dbraw/zinc/11/91/64/342119164.db2.gz HDWKZPDNSNNFTE-ZDUSSCGKSA-N 1 0 291.351 1.753 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4CC[NH2+][C@@H]4C3)c21 ZINC000591437326 342631943 /nfs/dbraw/zinc/63/19/43/342631943.db2.gz GKLUXBHUGSVPTL-CMPLNLGQSA-N 1 0 299.334 1.726 20 5 CDBDRO CCc1nn(C)c(N2CC[C@H]3CC[NH2+][C@@H]3C2)c1[N+](=O)[O-] ZINC000591437723 342631953 /nfs/dbraw/zinc/63/19/53/342631953.db2.gz JLIUWBYDCAQNOW-MWLCHTKSSA-N 1 0 279.344 1.079 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3CC[NH2+][C@H]3C2)c(F)c1 ZINC000591447886 342632799 /nfs/dbraw/zinc/63/27/99/342632799.db2.gz CFWIITKALDYKSJ-HZMBPMFUSA-N 1 0 279.315 1.918 20 5 CDBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCC(=O)N1 ZINC000453582832 252327863 /nfs/dbraw/zinc/32/78/63/252327863.db2.gz CALNTQNREGIVQU-ZDUSSCGKSA-N 1 0 281.287 1.492 20 5 CDBDRO COc1cccc(C(=O)N[C@H](C[NH3+])C2CC2)c1[N+](=O)[O-] ZINC000591679365 342641704 /nfs/dbraw/zinc/64/17/04/342641704.db2.gz RNMVSCHBXMGBLE-SNVBAGLBSA-N 1 0 279.296 1.071 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000592243974 342681006 /nfs/dbraw/zinc/68/10/06/342681006.db2.gz PPSUEZZKCXCNIV-DGCLKSJQSA-N 1 0 289.335 1.727 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C)([NH3+])CC2)c1 ZINC000592331746 342685502 /nfs/dbraw/zinc/68/55/02/342685502.db2.gz YSVSPZGVQNIMJW-UHFFFAOYSA-N 1 0 293.323 1.557 20 5 CDBDRO Cc1nn(C[C@@H]2CC[NH2+]C2)c2ccc([N+](=O)[O-])cc12 ZINC000592160497 342670845 /nfs/dbraw/zinc/67/08/45/342670845.db2.gz KVTOYCFBQPKXFV-SNVBAGLBSA-N 1 0 260.297 1.862 20 5 CDBDRO CC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)O ZINC000592430987 342695400 /nfs/dbraw/zinc/69/54/00/342695400.db2.gz VXYHVUVVKNXLDB-QKCSRTOESA-N 1 0 298.339 1.084 20 5 CDBDRO CN(CCC[NH3+])Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000592473793 342698553 /nfs/dbraw/zinc/69/85/53/342698553.db2.gz PCLGLROBLSDKKL-UHFFFAOYSA-N 1 0 291.311 1.425 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000592542175 342708832 /nfs/dbraw/zinc/70/88/32/342708832.db2.gz PFMCFTHUJUFJFM-PQFRYHKHSA-N 1 0 289.335 1.546 20 5 CDBDRO Cc1cncc(CC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)n1 ZINC000593020288 342758574 /nfs/dbraw/zinc/75/85/74/342758574.db2.gz FTPGXKMRKJVYIJ-UHFFFAOYSA-N 1 0 299.334 1.689 20 5 CDBDRO CC[C@H]1COC(C)(C)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000593057670 342760291 /nfs/dbraw/zinc/76/02/91/342760291.db2.gz WBGOETXSELTDNE-NSHDSACASA-N 1 0 282.344 1.681 20 5 CDBDRO C[C@@H](CCO)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000593109511 342769111 /nfs/dbraw/zinc/76/91/11/342769111.db2.gz ZHMMGTGDUYYDRD-RYUDHWBXSA-N 1 0 298.339 1.037 20 5 CDBDRO C[NH2+]CCN(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000070303652 361923250 /nfs/dbraw/zinc/92/32/50/361923250.db2.gz IMEMJEWBIWYIPW-VMPITWQZSA-N 1 0 263.297 1.286 20 5 CDBDRO C[C@@H](C(=O)N1CCC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000514987038 362001537 /nfs/dbraw/zinc/00/15/37/362001537.db2.gz LRUIRZKEGDYRPG-GFCCVEGCSA-N 1 0 291.351 1.862 20 5 CDBDRO C[C@H](CC[S@](C)=O)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000125533258 187190335 /nfs/dbraw/zinc/19/03/35/187190335.db2.gz ACLVHKNKBCKLRA-MLCYQJTMSA-N 1 0 270.354 1.842 20 5 CDBDRO CCc1nn(C)c(NCC23CCC[NH+]2CCC3)c1[N+](=O)[O-] ZINC000588834595 342222917 /nfs/dbraw/zinc/22/29/17/342222917.db2.gz XSTVHULRMOSEKU-UHFFFAOYSA-N 1 0 293.371 1.931 20 5 CDBDRO CC(C)C(=O)NCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594490713 342913674 /nfs/dbraw/zinc/91/36/74/342913674.db2.gz QTCSTOVXVBHJGM-ZDUSSCGKSA-N 1 0 291.351 1.944 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000609383012 342264460 /nfs/dbraw/zinc/26/44/60/342264460.db2.gz ACJZCHACWBTJMH-SNVBAGLBSA-N 1 0 280.328 1.005 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](CO)CCF ZINC000594508778 342914866 /nfs/dbraw/zinc/91/48/66/342914866.db2.gz WBASIGKCAROZGE-CABZTGNLSA-N 1 0 268.288 1.892 20 5 CDBDRO O=[N+]([O-])c1cccnc1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000609384318 342267878 /nfs/dbraw/zinc/26/78/78/342267878.db2.gz ILVBOEXQUNWCRX-NSHDSACASA-N 1 0 262.313 1.886 20 5 CDBDRO C[C@@]1(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000125642154 187194488 /nfs/dbraw/zinc/19/44/88/187194488.db2.gz ZZCUYOCYASMTSW-CQSZACIVSA-N 1 0 295.314 1.853 20 5 CDBDRO CC[C@@](C)([NH2+]Cc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000177140372 529506785 /nfs/dbraw/zinc/50/67/85/529506785.db2.gz HTWVREJMGMCSMF-GFCCVEGCSA-N 1 0 251.286 1.338 20 5 CDBDRO COC[C@@H](CCO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595010585 342990335 /nfs/dbraw/zinc/99/03/35/342990335.db2.gz VFLYWXNKHPZKNT-GHMZBOCLSA-N 1 0 298.339 1.651 20 5 CDBDRO CO[C@@H](C)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594971343 342992104 /nfs/dbraw/zinc/99/21/04/342992104.db2.gz FUIBQKLBEZDUKQ-VIFPVBQESA-N 1 0 282.296 1.491 20 5 CDBDRO Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000108341274 349736235 /nfs/dbraw/zinc/73/62/35/349736235.db2.gz SFKHRYZYYKRMGS-LBPRGKRZSA-N 1 0 291.351 1.975 20 5 CDBDRO COC[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)OC ZINC000595035680 342997458 /nfs/dbraw/zinc/99/74/58/342997458.db2.gz ZSUOBTATZBPPMD-ZYHUDNBSSA-N 1 0 298.339 1.915 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CNC(=O)C1 ZINC000595043783 342998530 /nfs/dbraw/zinc/99/85/30/342998530.db2.gz AFAASPPPNYSJCO-NXEZZACHSA-N 1 0 293.323 1.390 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000595232883 343016700 /nfs/dbraw/zinc/01/67/00/343016700.db2.gz CIZYZZAFQFYOKT-SNVBAGLBSA-N 1 0 280.328 1.941 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@](C)(O)CC1 ZINC000230379957 349777559 /nfs/dbraw/zinc/77/75/59/349777559.db2.gz AUNCUKUXIWIIIJ-ZDUSSCGKSA-N 1 0 282.344 1.337 20 5 CDBDRO Cc1noc(CN2CCC[C@@H]([C@@H](C)O)C2)c1[N+](=O)[O-] ZINC000595388323 343052923 /nfs/dbraw/zinc/05/29/23/343052923.db2.gz GSJKMLBBYGKLQT-NXEZZACHSA-N 1 0 269.301 1.484 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000078437129 342337173 /nfs/dbraw/zinc/33/71/73/342337173.db2.gz IHWYUNDLKJTLDE-CYBMUJFWSA-N 1 0 291.351 1.753 20 5 CDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ncc([N+](=O)[O-])c(N)n1 ZINC000078456385 342337317 /nfs/dbraw/zinc/33/73/17/342337317.db2.gz IZFNFNBOIGTQPY-JTQLQIEISA-N 1 0 294.359 1.278 20 5 CDBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000595770126 343147053 /nfs/dbraw/zinc/14/70/53/343147053.db2.gz NIYANDFRWHPKDD-VXGBXAGGSA-N 1 0 280.324 1.819 20 5 CDBDRO C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000595927544 343183571 /nfs/dbraw/zinc/18/35/71/343183571.db2.gz OTVSJWCASVQJRA-FBIMIBRVSA-N 1 0 263.297 1.509 20 5 CDBDRO C[C@H]1CC[NH2+][C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000126469564 187241936 /nfs/dbraw/zinc/24/19/36/187241936.db2.gz QPYVZLOJOWFPFI-GXFFZTMASA-N 1 0 277.324 1.599 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000595983598 343211065 /nfs/dbraw/zinc/21/10/65/343211065.db2.gz PSZYTNREMQWEQQ-SSDOTTSWSA-N 1 0 271.704 1.586 20 5 CDBDRO CCOc1ccc(C(=O)N[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595993602 343213687 /nfs/dbraw/zinc/21/36/87/343213687.db2.gz YEQAHTKOWZHZGE-CQSZACIVSA-N 1 0 293.323 1.475 20 5 CDBDRO Nc1ccc(N2CCC([C@H]3CC[NH2+]C3)CC2)nc1[N+](=O)[O-] ZINC000596015759 343219126 /nfs/dbraw/zinc/21/91/26/343219126.db2.gz HWLWGHMOQCWSJQ-NSHDSACASA-N 1 0 291.355 1.398 20 5 CDBDRO Cc1c(CNC(=O)[C@H]2C[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000595952891 343194732 /nfs/dbraw/zinc/19/47/32/343194732.db2.gz CAOQLISVSSYJGI-XYPYZODXSA-N 1 0 263.297 1.257 20 5 CDBDRO CCC[N@H+](CC)CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596151306 343245916 /nfs/dbraw/zinc/24/59/16/343245916.db2.gz HEKAQVYHKFTDCY-UHFFFAOYSA-N 1 0 268.317 1.839 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000596306873 343292947 /nfs/dbraw/zinc/29/29/47/343292947.db2.gz JBZXCTWFQHRFNN-SNVBAGLBSA-N 1 0 281.360 1.861 20 5 CDBDRO CN(C)C(=O)CN(CC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000596461620 343317535 /nfs/dbraw/zinc/31/75/35/343317535.db2.gz GXXJDNWEUKVMKW-UHFFFAOYSA-N 1 0 294.355 1.051 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)nc1 ZINC000596569955 343344942 /nfs/dbraw/zinc/34/49/42/343344942.db2.gz DSXXNBJEFLZSOL-ZDUSSCGKSA-N 1 0 290.367 1.946 20 5 CDBDRO O=[N+]([O-])c1ccc(CNC2CC[NH2+]CC2)c(F)c1 ZINC000167562896 342437327 /nfs/dbraw/zinc/43/73/27/342437327.db2.gz CFOJTTSVOHLWEU-UHFFFAOYSA-N 1 0 253.277 1.576 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000216206830 342439455 /nfs/dbraw/zinc/43/94/55/342439455.db2.gz VDOLNZDUOJZZHS-NXEZZACHSA-N 1 0 265.313 1.777 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000340859186 362188619 /nfs/dbraw/zinc/18/86/19/362188619.db2.gz AMVJBZJAGXMMGA-GFCCVEGCSA-N 1 0 295.387 1.896 20 5 CDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000597698210 343614941 /nfs/dbraw/zinc/61/49/41/343614941.db2.gz GWSUSYICGIWCMR-GXSJLCMTSA-N 1 0 280.328 1.098 20 5 CDBDRO CC[N@@H+](Cc1ccoc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304343605 349831491 /nfs/dbraw/zinc/83/14/91/349831491.db2.gz ZRBXAJMTLYEKJT-ZDUSSCGKSA-N 1 0 294.311 1.267 20 5 CDBDRO Cc1cc(C(=O)NCC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000597997599 343685399 /nfs/dbraw/zinc/68/53/99/343685399.db2.gz NLWUMYRLSILZGZ-LLVKDONJSA-N 1 0 279.340 1.973 20 5 CDBDRO CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[NH2+]1 ZINC000598573448 343832897 /nfs/dbraw/zinc/83/28/97/343832897.db2.gz JCLCKADSZQQNNQ-VIFPVBQESA-N 1 0 267.285 1.258 20 5 CDBDRO CC1(C)CC[C@H](CO)[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000598647370 343857058 /nfs/dbraw/zinc/85/70/58/343857058.db2.gz LELXPVXULMVUKS-LLVKDONJSA-N 1 0 282.344 1.274 20 5 CDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 ZINC000598668063 343871167 /nfs/dbraw/zinc/87/11/67/343871167.db2.gz OVIYKTMVPGJONB-UFBFGSQYSA-N 1 0 265.269 1.141 20 5 CDBDRO CO[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000599017525 343944750 /nfs/dbraw/zinc/94/47/50/343944750.db2.gz ZKLGXUAUMOCGLS-XYPYZODXSA-N 1 0 294.307 1.633 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000599084484 343950968 /nfs/dbraw/zinc/95/09/68/343950968.db2.gz SBAGAMFCSHBXJY-JZYVYDRUSA-N 1 0 282.731 1.639 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCN1CC[C@H](O)C1 ZINC000599093033 343952791 /nfs/dbraw/zinc/95/27/91/343952791.db2.gz MVGYBUJGXXYEMG-SMDDNHRTSA-N 1 0 291.351 1.238 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+]CCN2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000599094282 343953364 /nfs/dbraw/zinc/95/33/64/343953364.db2.gz SMBDFHLBKXFMDH-OCCSQVGLSA-N 1 0 293.367 1.620 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+](C)C ZINC000602026351 344318681 /nfs/dbraw/zinc/31/86/81/344318681.db2.gz LZXGHHRTTISTNC-SECBINFHSA-N 1 0 251.286 1.792 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000602074903 344326964 /nfs/dbraw/zinc/32/69/64/344326964.db2.gz UTBBQEXTEXTCRQ-ZDUSSCGKSA-N 1 0 277.324 1.695 20 5 CDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000602531678 344456049 /nfs/dbraw/zinc/45/60/49/344456049.db2.gz WOONUBOJTGJWHX-ZDUSSCGKSA-N 1 0 295.314 1.804 20 5 CDBDRO CO[C@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000602579763 344474572 /nfs/dbraw/zinc/47/45/72/344474572.db2.gz GKCIVWNDDOXTLY-UKRRQHHQSA-N 1 0 294.351 1.778 20 5 CDBDRO COCCOC[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602565369 344482614 /nfs/dbraw/zinc/48/26/14/344482614.db2.gz HALYCCDHWQNFHE-GFCCVEGCSA-N 1 0 282.340 1.778 20 5 CDBDRO COCC1([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602801646 344591529 /nfs/dbraw/zinc/59/15/29/344591529.db2.gz YGSNMEKECFFLNQ-UHFFFAOYSA-N 1 0 268.317 1.211 20 5 CDBDRO COCC1(C)CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602802586 344592099 /nfs/dbraw/zinc/59/20/99/344592099.db2.gz QRJTUEUOCYSFOU-UHFFFAOYSA-N 1 0 296.371 1.848 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000147971342 362444346 /nfs/dbraw/zinc/44/43/46/362444346.db2.gz RPRFPERGZNUFHN-ZETCQYMHSA-N 1 0 255.299 1.090 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000602826246 344611921 /nfs/dbraw/zinc/61/19/21/344611921.db2.gz JUBCOHJEOONTIA-STQMWFEESA-N 1 0 294.355 1.743 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1CC1 ZINC000562987203 293234902 /nfs/dbraw/zinc/23/49/02/293234902.db2.gz WLUKMQUZPZIRPY-NSHDSACASA-N 1 0 266.297 1.334 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])n1cc(CC[NH+](C)C)nn1 ZINC000603213581 344744176 /nfs/dbraw/zinc/74/41/76/344744176.db2.gz DCRRMINTTAZANG-LLVKDONJSA-N 1 0 289.339 1.900 20 5 CDBDRO Cc1c(CN2CCO[C@@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000128625779 344788586 /nfs/dbraw/zinc/78/85/86/344788586.db2.gz DDGSAYPFRGSENG-BXUZGUMPSA-N 1 0 279.340 1.451 20 5 CDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)C1CC[NH+](C)CC1 ZINC000604552854 344902713 /nfs/dbraw/zinc/90/27/13/344902713.db2.gz YUVJGHBLUIBPEE-SNVBAGLBSA-N 1 0 294.355 1.393 20 5 CDBDRO COc1ccncc1Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000344075269 362541736 /nfs/dbraw/zinc/54/17/36/362541736.db2.gz MXMPCLTWGSUKMZ-UHFFFAOYSA-N 1 0 295.682 1.862 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293421593 362560383 /nfs/dbraw/zinc/56/03/83/362560383.db2.gz NSZFUWSREGFQOW-TVQRCGJNSA-N 1 0 290.323 1.001 20 5 CDBDRO Cc1cc(C(=O)NC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000033092964 345441149 /nfs/dbraw/zinc/44/11/49/345441149.db2.gz HVWGBRCWNJVECL-JTQLQIEISA-N 1 0 265.313 1.583 20 5 CDBDRO O=C(C[NH2+]Cc1cccc([N+](=O)[O-])c1)NC1CCCC1 ZINC000052926390 345582630 /nfs/dbraw/zinc/58/26/30/345582630.db2.gz FJYHDJYWMWVISY-UHFFFAOYSA-N 1 0 277.324 1.743 20 5 CDBDRO COc1ccc(C(=O)N(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000122220888 347616891 /nfs/dbraw/zinc/61/68/91/347616891.db2.gz URTOAJOEGWPPAQ-UHFFFAOYSA-N 1 0 267.285 1.024 20 5 CDBDRO Cc1ncc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)s1 ZINC000090539999 347782683 /nfs/dbraw/zinc/78/26/83/347782683.db2.gz SIDPFOVHMUKNDS-MRVPVSSYSA-N 1 0 281.341 1.907 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000089106547 179702300 /nfs/dbraw/zinc/70/23/00/179702300.db2.gz GISHZBCHPNSIHG-TVQRCGJNSA-N 1 0 295.314 1.981 20 5 CDBDRO CCCc1n[nH]c(C(=O)NC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000069082418 349089118 /nfs/dbraw/zinc/08/91/18/349089118.db2.gz ATMNTBVNBFNBKY-UHFFFAOYSA-N 1 0 295.343 1.094 20 5 CDBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000073854664 350076765 /nfs/dbraw/zinc/07/67/65/350076765.db2.gz YMJZWMPJQNTKFY-SECBINFHSA-N 1 0 278.312 1.137 20 5 CDBDRO COC[C@H](O)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090949677 180071897 /nfs/dbraw/zinc/07/18/97/180071897.db2.gz UDQSBWWDMZQRRT-DGCLKSJQSA-N 1 0 282.340 1.951 20 5 CDBDRO CC[C@H](CSC)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000091099382 180097286 /nfs/dbraw/zinc/09/72/86/180097286.db2.gz DJCWSOJKLXZJBW-SNVBAGLBSA-N 1 0 272.374 1.865 20 5 CDBDRO COC[C@@H]1CCCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000364121966 362953233 /nfs/dbraw/zinc/95/32/33/362953233.db2.gz BNMHLWPQUMCMTR-GFCCVEGCSA-N 1 0 282.344 1.540 20 5 CDBDRO COC[C@@H]1CCCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000364134009 362958555 /nfs/dbraw/zinc/95/85/55/362958555.db2.gz DDFGVKZAPSFUKI-GFCCVEGCSA-N 1 0 282.344 1.540 20 5 CDBDRO C[NH2+][C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000111051373 186348658 /nfs/dbraw/zinc/34/86/58/186348658.db2.gz FEUAOOZVCJXUAG-SNVBAGLBSA-N 1 0 265.313 1.792 20 5 CDBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000619786104 350848467 /nfs/dbraw/zinc/84/84/67/350848467.db2.gz FHPARDDWHXAEGT-JTQLQIEISA-N 1 0 293.327 1.018 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000123816371 351289338 /nfs/dbraw/zinc/28/93/38/351289338.db2.gz BCDDKKYXOYSAFT-GXFFZTMASA-N 1 0 265.313 1.143 20 5 CDBDRO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000036794694 363050636 /nfs/dbraw/zinc/05/06/36/363050636.db2.gz KLJRZZLNOPBJSH-NXEZZACHSA-N 1 0 265.313 1.770 20 5 CDBDRO CCOc1ccc(C(=O)NCCC[NH2+]C)cc1[N+](=O)[O-] ZINC000121278512 186962919 /nfs/dbraw/zinc/96/29/19/186962919.db2.gz QSEMNYXREHYTTA-UHFFFAOYSA-N 1 0 281.312 1.333 20 5 CDBDRO Cc1c(C(=O)NCC(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC000122267944 187023293 /nfs/dbraw/zinc/02/32/93/187023293.db2.gz CLPZMFBSBQUYJV-UHFFFAOYSA-N 1 0 251.286 1.370 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000122546249 187037614 /nfs/dbraw/zinc/03/76/14/187037614.db2.gz OHGBUETYKADMPB-SNVBAGLBSA-N 1 0 283.715 1.812 20 5 CDBDRO CC(C)C[C@H](C[NH3+])NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135235773 187809787 /nfs/dbraw/zinc/80/97/87/187809787.db2.gz LWXQONLYWPZIBP-GFCCVEGCSA-N 1 0 279.340 1.627 20 5 CDBDRO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000292145791 198180918 /nfs/dbraw/zinc/18/09/18/198180918.db2.gz JUOKVEUQSSWQHV-LLVKDONJSA-N 1 0 295.339 1.260 20 5 CDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C1 ZINC000052093011 363210263 /nfs/dbraw/zinc/21/02/63/363210263.db2.gz KDPCLYDEUIFBCA-ZXCPCRMDSA-N 1 0 261.281 1.086 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCCO1 ZINC000157768221 188337430 /nfs/dbraw/zinc/33/74/30/188337430.db2.gz GWNXUTQNUGRRIZ-LBPRGKRZSA-N 1 0 268.317 1.292 20 5 CDBDRO C[C@@H](CCN1CCOCC1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000124243489 295863933 /nfs/dbraw/zinc/86/39/33/295863933.db2.gz SCSQLIZCIZAMGV-ZDUSSCGKSA-N 1 0 293.367 1.795 20 5 CDBDRO O=c1c([N+](=O)[O-])cc(Cl)cn1CC[NH+]1CCCCC1 ZINC000158584853 188383509 /nfs/dbraw/zinc/38/35/09/188383509.db2.gz KXZJLZJCLRSVOH-UHFFFAOYSA-N 1 0 285.731 1.896 20 5 CDBDRO C[NH2+]CC1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000063166404 363276553 /nfs/dbraw/zinc/27/65/53/363276553.db2.gz PZPLJNVLDDSZET-UHFFFAOYSA-N 1 0 295.368 1.740 20 5 CDBDRO CC(C)[C@H]1CN(c2ccncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000340882314 363313856 /nfs/dbraw/zinc/31/38/56/363313856.db2.gz VFPCISIUMCXKRL-CYBMUJFWSA-N 1 0 264.329 1.766 20 5 CDBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000162997176 188597076 /nfs/dbraw/zinc/59/70/76/188597076.db2.gz QRKVQZNXEJLHTO-SUHUHFCYSA-N 1 0 280.324 1.643 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000168717631 188651966 /nfs/dbraw/zinc/65/19/66/188651966.db2.gz CUDKGASGIWHMML-BCMFZCSUSA-N 1 0 289.335 1.804 20 5 CDBDRO CSc1ccc(C(=O)NC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000272975307 192004531 /nfs/dbraw/zinc/00/45/31/192004531.db2.gz CFKDPGNVAWECFO-VIFPVBQESA-N 1 0 295.364 1.656 20 5 CDBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286239934 356235927 /nfs/dbraw/zinc/23/59/27/356235927.db2.gz TYOGYPRAJDLSTK-SNVBAGLBSA-N 1 0 295.343 1.264 20 5 CDBDRO C[C@@H](Nc1c([N+](=O)[O-])ncn1C)C1=CC[N@H+](C)CC1 ZINC000273007137 192015840 /nfs/dbraw/zinc/01/58/40/192015840.db2.gz RVUCHUYUOQAZFQ-SECBINFHSA-N 1 0 265.317 1.391 20 5 CDBDRO CCOC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000286377841 356272885 /nfs/dbraw/zinc/27/28/85/356272885.db2.gz YZAKGJYOYGSGPS-GFCCVEGCSA-N 1 0 270.333 1.442 20 5 CDBDRO Cc1nn(C)c(NCCC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000134665388 356370679 /nfs/dbraw/zinc/37/06/79/356370679.db2.gz JSKZPOAYDCAVOE-UHFFFAOYSA-N 1 0 281.360 1.781 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)C2CCOCC2)cc1 ZINC000359875724 356429157 /nfs/dbraw/zinc/42/91/57/356429157.db2.gz NUSHPKJXQPJYDU-CQSZACIVSA-N 1 0 280.324 1.472 20 5 CDBDRO Cc1nn(C)c(NCC(C)(C)[NH+](C)C)c1[N+](=O)[O-] ZINC000043411873 356646282 /nfs/dbraw/zinc/64/62/82/356646282.db2.gz WTDGHQQCXGKQJY-UHFFFAOYSA-N 1 0 255.322 1.389 20 5 CDBDRO CCOc1cc(C[N@@H+]2CC[C@@H](O)[C@H]2C)ccc1[N+](=O)[O-] ZINC000590762289 358511749 /nfs/dbraw/zinc/51/17/49/358511749.db2.gz RFZPFGYXOLTHDB-ZWNOBZJWSA-N 1 0 280.324 1.949 20 5 CDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCOC1 ZINC000159050210 357211201 /nfs/dbraw/zinc/21/12/01/357211201.db2.gz HVIKEKPFTPRNAU-SNVBAGLBSA-N 1 0 254.261 1.955 20 5 CDBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)C[NH+](C)C ZINC000341266080 357218472 /nfs/dbraw/zinc/21/84/72/357218472.db2.gz RNCYHDLVZVKNRO-SNVBAGLBSA-N 1 0 297.330 1.590 20 5 CDBDRO CNc1ccc(C(=O)N[C@@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000566246814 357439091 /nfs/dbraw/zinc/43/90/91/357439091.db2.gz BJNZYDSKAZLUOR-AWEZNQCLSA-N 1 0 292.339 1.494 20 5 CDBDRO Cc1cc(N2CCC[C@H]([C@@H](C)[NH3+])C2)ncc1[N+](=O)[O-] ZINC000092027754 357725982 /nfs/dbraw/zinc/72/59/82/357725982.db2.gz UXFSMBMAZHLLBT-MNOVXSKESA-N 1 0 264.329 1.862 20 5 CDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000408052939 357795519 /nfs/dbraw/zinc/79/55/19/357795519.db2.gz WKZNRLXJZHZZSS-MFKMUULPSA-N 1 0 292.339 1.479 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000135236323 357809358 /nfs/dbraw/zinc/80/93/58/357809358.db2.gz HMSRLNJTHYPXEB-KWQFWETISA-N 1 0 281.287 1.543 20 5 CDBDRO C[C@@H](NC(=O)CC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000084169260 357862090 /nfs/dbraw/zinc/86/20/90/357862090.db2.gz CIJYQALILYAYEA-SECBINFHSA-N 1 0 265.313 1.899 20 5 CDBDRO CC[C@@]1(CO)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000189665448 358034210 /nfs/dbraw/zinc/03/42/10/358034210.db2.gz MOIWQBKVDCHZIL-LBPRGKRZSA-N 1 0 268.317 1.028 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449605666 283336798 /nfs/dbraw/zinc/33/67/98/283336798.db2.gz WVVUJMAPMJZQCP-MNOVXSKESA-N 1 0 279.340 1.640 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000127369474 358231895 /nfs/dbraw/zinc/23/18/95/358231895.db2.gz BLSLNFAHPTVTMF-VHSXEESVSA-N 1 0 265.313 1.777 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](CC2CC2)C2CCC2)c1 ZINC000361570982 358325713 /nfs/dbraw/zinc/32/57/13/358325713.db2.gz GVUMFLWGELZXNI-AWEZNQCLSA-N 1 0 294.355 1.417 20 5 CDBDRO Cc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000361657691 358403307 /nfs/dbraw/zinc/40/33/07/358403307.db2.gz WKXFYQXIEZIHDL-DGCLKSJQSA-N 1 0 264.325 1.963 20 5 CDBDRO C[N@H+](CCNC(=O)NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000264869334 358750188 /nfs/dbraw/zinc/75/01/88/358750188.db2.gz PBZLNGMUOVWUBA-UHFFFAOYSA-N 1 0 292.339 1.488 20 5 CDBDRO COC[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176243363 358750264 /nfs/dbraw/zinc/75/02/64/358750264.db2.gz CUSJTZOFGAMUSO-NSHDSACASA-N 1 0 268.317 1.150 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1 ZINC000567609637 358707724 /nfs/dbraw/zinc/70/77/24/358707724.db2.gz UTXUFTUMBJGZDE-TZMCWYRMSA-N 1 0 294.355 1.682 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNc1ncc([N+](=O)[O-])cn1 ZINC000230873348 358796528 /nfs/dbraw/zinc/79/65/28/358796528.db2.gz RXKCRSLTFSSALK-SECBINFHSA-N 1 0 253.306 1.527 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC000299923359 358975645 /nfs/dbraw/zinc/97/56/45/358975645.db2.gz WGSWJOXCIDCTKV-JSGCOSHPSA-N 1 0 261.325 1.779 20 5 CDBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@@H]1OC ZINC000274935496 370665108 /nfs/dbraw/zinc/66/51/08/370665108.db2.gz PMZWAVJPXWXLDH-UMNHJUIQSA-N 1 0 286.353 1.938 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@]1(O)CCOC1 ZINC000539044170 358942788 /nfs/dbraw/zinc/94/27/88/358942788.db2.gz KFSLDTSDOGXKLH-BXUZGUMPSA-N 1 0 280.324 1.705 20 5 CDBDRO CC[C@@H]1C[N@H+](CC)CCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC000450830540 359013306 /nfs/dbraw/zinc/01/33/06/359013306.db2.gz OGMQRXVTOKTZHM-LLVKDONJSA-N 1 0 279.344 1.614 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCSC1 ZINC000119977615 359052837 /nfs/dbraw/zinc/05/28/37/359052837.db2.gz HDWMOGBUXRNAFY-SECBINFHSA-N 1 0 256.331 1.229 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262551161 359178347 /nfs/dbraw/zinc/17/83/47/359178347.db2.gz OSHOSPFAMJHWEI-VIFPVBQESA-N 1 0 293.323 1.075 20 5 CDBDRO C[C@@H](C(=O)NC1CC1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338377521 359126358 /nfs/dbraw/zinc/12/63/58/359126358.db2.gz NVEFHKHWABLQSK-NSHDSACASA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@@H](CO)[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCCC1 ZINC000347217559 359236200 /nfs/dbraw/zinc/23/62/00/359236200.db2.gz HASPKELPEDPKRJ-NSHDSACASA-N 1 0 282.344 1.417 20 5 CDBDRO CNc1ccc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000569843493 359260076 /nfs/dbraw/zinc/26/00/76/359260076.db2.gz UXMYAMOAXSKNNJ-AOOOYVTPSA-N 1 0 292.339 1.459 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000570038738 359273952 /nfs/dbraw/zinc/27/39/52/359273952.db2.gz GWPIUAPLGOOTCQ-GWCFXTLKSA-N 1 0 292.339 1.121 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000050228739 359681958 /nfs/dbraw/zinc/68/19/58/359681958.db2.gz VPTAVQDRBZUNJM-ZXCPCRMDSA-N 1 0 261.281 1.168 20 5 CDBDRO CC[NH+](CC)CCOCCNc1ccc([N+](=O)[O-])cn1 ZINC000347860950 359871629 /nfs/dbraw/zinc/87/16/29/359871629.db2.gz SVOLPHMEVQWJPR-UHFFFAOYSA-N 1 0 282.344 1.182 20 5 CDBDRO C[C@H](NC(=O)[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000062114355 359957102 /nfs/dbraw/zinc/95/71/02/359957102.db2.gz WXWLXDVHGAXHRS-ONGXEEELSA-N 1 0 263.297 1.382 20 5 CDBDRO COc1ccc(OC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000051889170 359952235 /nfs/dbraw/zinc/95/22/35/359952235.db2.gz LMWDBZBTKYMGQP-VIFPVBQESA-N 1 0 252.270 1.592 20 5 CDBDRO NC(=O)C1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000177125439 189030423 /nfs/dbraw/zinc/03/04/23/189030423.db2.gz RXJXKOMKVQUJQU-UHFFFAOYSA-N 1 0 277.324 1.873 20 5 CDBDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000227979708 291221086 /nfs/dbraw/zinc/22/10/86/291221086.db2.gz QBTNXNSHXGVIFB-ZWNOBZJWSA-N 1 0 266.297 1.224 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)[NH+](C)C)n1 ZINC000166738946 360269674 /nfs/dbraw/zinc/26/96/74/360269674.db2.gz FCRKYTPCEMVPSB-MRVPVSSYSA-N 1 0 282.300 1.138 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000162837828 360532787 /nfs/dbraw/zinc/53/27/87/360532787.db2.gz HZQWITMTANSEFC-WDEREUQCSA-N 1 0 279.340 1.936 20 5 CDBDRO C[C@@]1(O)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000177978927 189083182 /nfs/dbraw/zinc/08/31/82/189083182.db2.gz IMGOOXBZVYCFAY-CYBMUJFWSA-N 1 0 266.297 1.430 20 5 CDBDRO Cc1cccc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000235687047 360595084 /nfs/dbraw/zinc/59/50/84/360595084.db2.gz CQKLJCCZUNEESM-QWRGUYRKSA-N 1 0 277.324 1.774 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000358127444 360786383 /nfs/dbraw/zinc/78/63/83/360786383.db2.gz HHWPXHZDJDHXBC-SECBINFHSA-N 1 0 269.301 1.646 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCC[C@@H]2CO)c1 ZINC000178856846 189150972 /nfs/dbraw/zinc/15/09/72/189150972.db2.gz YAGSSYQADXVBBO-KGLIPLIRSA-N 1 0 280.324 1.475 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H]2CC[NH2+]C2)c1 ZINC000178941214 189156056 /nfs/dbraw/zinc/15/60/56/189156056.db2.gz IPUUOQPXJSIWSU-JTQLQIEISA-N 1 0 293.323 1.333 20 5 CDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179068087 189166580 /nfs/dbraw/zinc/16/65/80/189166580.db2.gz MKNSCZUAOJAPRP-LLVKDONJSA-N 1 0 292.339 1.095 20 5 CDBDRO CSc1ccc(C(=O)N(C)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000179098469 189169708 /nfs/dbraw/zinc/16/97/08/189169708.db2.gz MROUWQKQYYURQW-JTQLQIEISA-N 1 0 295.364 1.751 20 5 CDBDRO CC[C@@H]1C[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000575117213 360832990 /nfs/dbraw/zinc/83/29/90/360832990.db2.gz AFDNLIVCONTLIY-ZWNOBZJWSA-N 1 0 298.364 1.757 20 5 CDBDRO CCN(C)C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180454255 189256639 /nfs/dbraw/zinc/25/66/39/189256639.db2.gz USDLAGIKZCVTBY-SNVBAGLBSA-N 1 0 265.313 1.724 20 5 CDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000236632582 361350366 /nfs/dbraw/zinc/35/03/66/361350366.db2.gz YWUDNJUORLXARK-NSHDSACASA-N 1 0 295.339 1.463 20 5 CDBDRO CNc1ccc(-c2nc(C[C@@H](C)[NH2+]C)no2)cc1[N+](=O)[O-] ZINC000572482105 361354485 /nfs/dbraw/zinc/35/44/85/361354485.db2.gz AZNPOKPILNDUJQ-MRVPVSSYSA-N 1 0 291.311 1.837 20 5 CDBDRO COc1ccc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000168697675 361382398 /nfs/dbraw/zinc/38/23/98/361382398.db2.gz NCLRPJYRPAJQAK-KOLCDFICSA-N 1 0 293.323 1.413 20 5 CDBDRO [NH3+][C@H](CC(F)F)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000345719402 361419280 /nfs/dbraw/zinc/41/92/80/361419280.db2.gz PUBASUBAFMVNQY-LLVKDONJSA-N 1 0 299.277 1.462 20 5 CDBDRO C[C@]1(CO)CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000545398241 364073323 /nfs/dbraw/zinc/07/33/23/364073323.db2.gz DZYISXINXJWWIG-CQSZACIVSA-N 1 0 264.325 1.984 20 5 CDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000345816313 364023258 /nfs/dbraw/zinc/02/32/58/364023258.db2.gz LFINIIAJXVJUKR-CHWSQXEVSA-N 1 0 291.351 1.908 20 5 CDBDRO Cc1c(C(=O)N2CC[NH2+][C@H](C)C2)cccc1[N+](=O)[O-] ZINC000088059265 364049454 /nfs/dbraw/zinc/04/94/54/364049454.db2.gz ZARZJWOSBZKZHJ-SECBINFHSA-N 1 0 263.297 1.337 20 5 CDBDRO CCc1ccc(C(=O)N2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000160363939 364066912 /nfs/dbraw/zinc/06/69/12/364066912.db2.gz RXTQQFJMWGWORH-LBPRGKRZSA-N 1 0 277.324 1.721 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000148792720 364325180 /nfs/dbraw/zinc/32/51/80/364325180.db2.gz ROSDFLPPLFDWJL-SECBINFHSA-N 1 0 265.313 1.489 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000162838075 364662792 /nfs/dbraw/zinc/66/27/92/364662792.db2.gz HZQWITMTANSEFC-GHMZBOCLSA-N 1 0 279.340 1.936 20 5 CDBDRO C[C@H](O)C[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000249496951 364756415 /nfs/dbraw/zinc/75/64/15/364756415.db2.gz HCKCNYSJRFAAEY-STQMWFEESA-N 1 0 293.367 1.482 20 5 CDBDRO CC(C)[C@@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000270481759 366887389 /nfs/dbraw/zinc/88/73/89/366887389.db2.gz FYABTPRCHQYQNT-LLVKDONJSA-N 1 0 267.329 1.733 20 5 CDBDRO CC[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000270826091 366934621 /nfs/dbraw/zinc/93/46/21/366934621.db2.gz BXUGDUWGALDCKB-RISCZKNCSA-N 1 0 280.324 1.676 20 5 CDBDRO CC[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000270827367 366934929 /nfs/dbraw/zinc/93/49/29/366934929.db2.gz CCEPHEFGYCCQRQ-GXTWGEPZSA-N 1 0 264.325 1.840 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH2+]CC1 ZINC000414651296 241301150 /nfs/dbraw/zinc/30/11/50/241301150.db2.gz BSBXKSANYLCNGO-UHFFFAOYSA-N 1 0 278.312 1.777 20 5 CDBDRO Cc1ccc(NC(=O)NC[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000414655190 241303848 /nfs/dbraw/zinc/30/38/48/241303848.db2.gz GTAIMKAAEGPLKW-MRVPVSSYSA-N 1 0 266.301 1.620 20 5 CDBDRO COc1ccc(CN2CC[NH2+]C[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000414767242 241375064 /nfs/dbraw/zinc/37/50/64/241375064.db2.gz JHWFRUPIXRDOQS-CQSZACIVSA-N 1 0 297.330 1.737 20 5 CDBDRO C[C@]1(F)C[NH2+]CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000414767250 241375728 /nfs/dbraw/zinc/37/57/28/241375728.db2.gz JKXNTADNTHYTHL-NSHDSACASA-N 1 0 273.333 1.790 20 5 CDBDRO C[C@H]([NH2+]CCN1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000295989288 370822185 /nfs/dbraw/zinc/82/21/85/370822185.db2.gz PJKHVAULMBLDOC-LBPRGKRZSA-N 1 0 293.367 1.702 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)CCC[NH3+] ZINC000415499728 241704303 /nfs/dbraw/zinc/70/43/03/241704303.db2.gz KQCJRTINXUKMNL-VIFPVBQESA-N 1 0 296.327 1.852 20 5 CDBDRO CCOC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000348438923 367313141 /nfs/dbraw/zinc/31/31/41/367313141.db2.gz HGAIAEKNUMJDGR-SNVBAGLBSA-N 1 0 270.333 1.479 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000358137562 367462469 /nfs/dbraw/zinc/46/24/69/367462469.db2.gz ZAYHBBZBVKOINZ-VIFPVBQESA-N 1 0 268.317 1.381 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000235445759 367639492 /nfs/dbraw/zinc/63/94/92/367639492.db2.gz SDXYSFKQYTWBSB-GHMZBOCLSA-N 1 0 277.324 1.774 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000272655254 367787151 /nfs/dbraw/zinc/78/71/51/367787151.db2.gz GGZZMMMJIQZWCN-SECBINFHSA-N 1 0 279.300 1.206 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000089106497 368976615 /nfs/dbraw/zinc/97/66/15/368976615.db2.gz QDFVECZKLCOGGH-DGCLKSJQSA-N 1 0 277.324 1.842 20 5 CDBDRO Cc1nc(NC[C@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420271424 244004512 /nfs/dbraw/zinc/00/45/12/244004512.db2.gz CPHPEZWMBGZDRU-QWRGUYRKSA-N 1 0 264.329 1.650 20 5 CDBDRO CC[NH+]1CCC(Nc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420585930 244265347 /nfs/dbraw/zinc/26/53/47/244265347.db2.gz NTFQMJRKEQVFJK-UHFFFAOYSA-N 1 0 292.339 1.590 20 5 CDBDRO Cc1nc(NC2CCC([NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000420622066 244289490 /nfs/dbraw/zinc/28/94/90/244289490.db2.gz FDRYKLATNUNRSA-UHFFFAOYSA-N 1 0 279.344 1.978 20 5 CDBDRO C[NH+](C)[C@@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000170863486 369978612 /nfs/dbraw/zinc/97/86/12/369978612.db2.gz ZXEHUPDTAAHANE-SBDDDAINSA-N 1 0 289.335 1.771 20 5 CDBDRO [NH3+]CC[C@H](NC1CC(n2cc([N+](=O)[O-])cn2)C1)C(F)F ZINC001580284835 1172393253 /nfs/dbraw/zinc/39/32/53/1172393253.db2.gz URXUCPKXQGGTEX-KTOWXAHTSA-N 1 0 289.286 1.067 20 5 CDBDRO O=[N+]([O-])c1cc(CNC[C@H]2CCC[NH2+]C2)cs1 ZINC000414826407 370448548 /nfs/dbraw/zinc/44/85/48/370448548.db2.gz ITRQBQSTAZHOGX-VIFPVBQESA-N 1 0 255.343 1.746 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000168716907 371104206 /nfs/dbraw/zinc/10/42/06/371104206.db2.gz BTEGZJJMFGFFKD-JQWIXIFHSA-N 1 0 277.324 1.333 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000422855900 245339499 /nfs/dbraw/zinc/33/94/99/245339499.db2.gz DEVFYXASYROMDB-LBPRGKRZSA-N 1 0 291.351 1.987 20 5 CDBDRO C[NH+](C)CC1(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CCC1 ZINC000331745354 204115499 /nfs/dbraw/zinc/11/54/99/204115499.db2.gz CHTUJTLHHVOROE-UHFFFAOYSA-N 1 0 266.301 1.137 20 5 CDBDRO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000385373761 373312687 /nfs/dbraw/zinc/31/26/87/373312687.db2.gz QXESRORJUWFWFR-UHFFFAOYSA-N 1 0 292.339 1.347 20 5 CDBDRO C[C@H](C[S@](C)=O)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000168885519 373798094 /nfs/dbraw/zinc/79/80/94/373798094.db2.gz LOOXFJUXMVSFPD-MLCYQJTMSA-N 1 0 270.354 1.494 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000274014523 374068881 /nfs/dbraw/zinc/06/88/81/374068881.db2.gz VJBTVFZJERLWKW-KCJUWKMLSA-N 1 0 263.301 1.279 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423670172 245968489 /nfs/dbraw/zinc/96/84/89/245968489.db2.gz UOAOMXMKWXXWSW-PJXYFTJBSA-N 1 0 275.308 1.159 20 5 CDBDRO [NH3+]CCCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423720545 246002263 /nfs/dbraw/zinc/00/22/63/246002263.db2.gz HMXAYWHGKRIPKH-UHFFFAOYSA-N 1 0 277.324 1.825 20 5 CDBDRO CSCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000130962912 374276449 /nfs/dbraw/zinc/27/64/49/374276449.db2.gz WRCIPZFWNQRAGJ-JOYOIKCWSA-N 1 0 297.380 1.852 20 5 CDBDRO CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CC1 ZINC000112983665 374236556 /nfs/dbraw/zinc/23/65/56/374236556.db2.gz YXNMGKSULLPVMO-UHFFFAOYSA-N 1 0 277.324 1.926 20 5 CDBDRO COc1ccc(C(=O)N(C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000093873203 374299385 /nfs/dbraw/zinc/29/93/85/374299385.db2.gz RZLTWPMRRDQANB-UHFFFAOYSA-N 1 0 295.339 1.660 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000369339149 374351875 /nfs/dbraw/zinc/35/18/75/374351875.db2.gz MEEGSDAXJSACRA-GXTWGEPZSA-N 1 0 289.335 1.348 20 5 CDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000370173108 296217313 /nfs/dbraw/zinc/21/73/13/296217313.db2.gz MNIAZJGHBJGMPP-CABZTGNLSA-N 1 0 293.298 1.558 20 5 CDBDRO CC[N@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117803678 374596420 /nfs/dbraw/zinc/59/64/20/374596420.db2.gz QJCFNYJKMLGCHC-UHFFFAOYSA-N 1 0 299.758 1.859 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000424134063 246348885 /nfs/dbraw/zinc/34/88/85/246348885.db2.gz AKSAWBGQZFHHHI-GDPRMGEGSA-N 1 0 263.297 1.428 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000070145794 374650107 /nfs/dbraw/zinc/65/01/07/374650107.db2.gz NPNCRDNVBQWLAW-SKDRFNHKSA-N 1 0 277.324 1.713 20 5 CDBDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000449463661 374813218 /nfs/dbraw/zinc/81/32/18/374813218.db2.gz XEGMXUJUEZSIFT-GXTWGEPZSA-N 1 0 280.324 1.736 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000330567009 374865661 /nfs/dbraw/zinc/86/56/61/374865661.db2.gz BAPGQVPUUVQNPN-QWHCGFSZSA-N 1 0 293.367 1.998 20 5 CDBDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000279922669 374974470 /nfs/dbraw/zinc/97/44/70/374974470.db2.gz XKMKQFJRFJTPGQ-CQSZACIVSA-N 1 0 291.351 1.943 20 5 CDBDRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000125490656 375028596 /nfs/dbraw/zinc/02/85/96/375028596.db2.gz JEONXSIKLBYVDE-QPFGOUBPSA-N 1 0 276.383 1.903 20 5 CDBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332614980 375038421 /nfs/dbraw/zinc/03/84/21/375038421.db2.gz DXXVZJQMPPSBIM-UWVGGRQHSA-N 1 0 252.318 1.949 20 5 CDBDRO CC[N@H+](CCOCCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282355004 375080363 /nfs/dbraw/zinc/08/03/63/375080363.db2.gz AVCKXYBTVVOPRD-UHFFFAOYSA-N 1 0 286.303 1.565 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000131819093 375353639 /nfs/dbraw/zinc/35/36/39/375353639.db2.gz AMTCWRPAGRLMOL-IUCAKERBSA-N 1 0 281.287 1.543 20 5 CDBDRO CC[NH+](CC)CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000049094207 375401865 /nfs/dbraw/zinc/40/18/65/375401865.db2.gz VXCJJZGKNUIPTO-UHFFFAOYSA-N 1 0 279.340 1.595 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCOCCO ZINC000344799244 375449627 /nfs/dbraw/zinc/44/96/27/375449627.db2.gz SMQFTDWLRZXBEC-RAXLEYEMSA-N 1 0 294.351 1.987 20 5 CDBDRO C[C@H](NC[C@@H](O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000305150278 375559443 /nfs/dbraw/zinc/55/94/43/375559443.db2.gz TWQHZTYIROBAAP-GXFFZTMASA-N 1 0 267.329 1.168 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](COC(F)F)C2)n1 ZINC000353024827 375565704 /nfs/dbraw/zinc/56/57/04/375565704.db2.gz QFNGOMHMLKTKOX-VIFPVBQESA-N 1 0 290.270 1.352 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCN1CCC1 ZINC000344850404 375597456 /nfs/dbraw/zinc/59/74/56/375597456.db2.gz TYPWFEBNASZUOP-ZZXKWVIFSA-N 1 0 261.325 1.903 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426456715 247028154 /nfs/dbraw/zinc/02/81/54/247028154.db2.gz WJNOHIBICUXODZ-AAEUAGOBSA-N 1 0 277.324 1.631 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H]3CCC[C@@H]32)c1 ZINC000426473247 247031124 /nfs/dbraw/zinc/03/11/24/247031124.db2.gz DOFNAKXWZPNTMO-RTXFEEFZSA-N 1 0 280.328 1.027 20 5 CDBDRO CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1C[NH2+]C1 ZINC000357071387 375703080 /nfs/dbraw/zinc/70/30/80/375703080.db2.gz GNUXDIKWYJELIR-UHFFFAOYSA-N 1 0 289.295 1.048 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000354982807 375766211 /nfs/dbraw/zinc/76/62/11/375766211.db2.gz WETDJEGKRBFNFS-JTQLQIEISA-N 1 0 295.314 1.758 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(N)=O ZINC000164572753 375920351 /nfs/dbraw/zinc/92/03/51/375920351.db2.gz YAXYNSOHYHHKOT-VHSXEESVSA-N 1 0 265.313 1.379 20 5 CDBDRO COCC[N@H+](C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000171099044 376121153 /nfs/dbraw/zinc/12/11/53/376121153.db2.gz ZTBWHWHSFONEGF-UHFFFAOYSA-N 1 0 296.327 1.295 20 5 CDBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000347385062 376071991 /nfs/dbraw/zinc/07/19/91/376071991.db2.gz ZMFNBVAGOMOXBK-NSHDSACASA-N 1 0 292.339 1.670 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000130211984 376077262 /nfs/dbraw/zinc/07/72/62/376077262.db2.gz XNVCRJSINXHIOU-JTQLQIEISA-N 1 0 279.296 1.220 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171451047 376625737 /nfs/dbraw/zinc/62/57/37/376625737.db2.gz GPVCSFZJFCUAIW-CQSZACIVSA-N 1 0 289.335 1.905 20 5 CDBDRO C[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000164486234 377064509 /nfs/dbraw/zinc/06/45/09/377064509.db2.gz BRYYEEUYLPVATF-SECBINFHSA-N 1 0 263.297 1.067 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)C[NH+](C)C ZINC000294320419 377500622 /nfs/dbraw/zinc/50/06/22/377500622.db2.gz SHEOEJNZGHYSKH-VIFPVBQESA-N 1 0 283.303 1.661 20 5 CDBDRO Cc1cccc(NC[C@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000218853422 377846863 /nfs/dbraw/zinc/84/68/63/377846863.db2.gz MJLIVNUCEGYLGZ-LBPRGKRZSA-N 1 0 278.356 1.561 20 5 CDBDRO C[NH+]1C[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000347697811 377856409 /nfs/dbraw/zinc/85/64/09/377856409.db2.gz RFQZJIYIBJADPV-GHMZBOCLSA-N 1 0 293.298 1.368 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000192078988 378174409 /nfs/dbraw/zinc/17/44/09/378174409.db2.gz NGDNBSLFSCBEHZ-UWVGGRQHSA-N 1 0 279.340 1.929 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000417764359 378641315 /nfs/dbraw/zinc/64/13/15/378641315.db2.gz LZUCEBLABOJVBP-GFCCVEGCSA-N 1 0 292.339 1.174 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN(C2CC2)C2C[NH2+]C2)c1 ZINC001580876011 1172558117 /nfs/dbraw/zinc/55/81/17/1172558117.db2.gz WLUUWQZVKQZMRO-AWEZNQCLSA-N 1 0 277.324 1.064 20 5 CDBDRO CC1(C)[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@H]2CCCO[C@H]21 ZINC000245825097 379340983 /nfs/dbraw/zinc/34/09/83/379340983.db2.gz ARVUNWRYQDDPFM-JHJVBQTASA-N 1 0 294.355 1.585 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000175182634 379653775 /nfs/dbraw/zinc/65/37/75/379653775.db2.gz JYWASTBYZJBIFD-SNVBAGLBSA-N 1 0 293.323 1.301 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000491637266 253093921 /nfs/dbraw/zinc/09/39/21/253093921.db2.gz IHEOUHDHUUQTLD-GFUIURDCSA-N 1 0 289.335 1.676 20 5 CDBDRO C[NH+](C)C/C=C\C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000492305209 253193866 /nfs/dbraw/zinc/19/38/66/253193866.db2.gz URNFPRZHMIGMSS-DAXSKMNVSA-N 1 0 277.324 1.371 20 5 CDBDRO CN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000493864606 253578064 /nfs/dbraw/zinc/57/80/64/253578064.db2.gz ZEORWDGIZGPWCT-FHMRSRPSSA-N 1 0 293.298 1.567 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4C[NH2+]C[C@@H]4C3)c21 ZINC000420269781 285158597 /nfs/dbraw/zinc/15/85/97/285158597.db2.gz YLWJUFXEOUQNIA-GHMZBOCLSA-N 1 0 299.334 1.584 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@@H](O)C[NH+]2CCCCC2)c(F)c1 ZINC000413054765 285180133 /nfs/dbraw/zinc/18/01/33/285180133.db2.gz OQJRDNNPLXYKEU-LLVKDONJSA-N 1 0 298.318 1.388 20 5 CDBDRO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000288500940 197096194 /nfs/dbraw/zinc/09/61/94/197096194.db2.gz DVWQTSJCBACOSD-SECBINFHSA-N 1 0 295.295 1.122 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[C@@H]1[NH3+] ZINC000094339235 184783507 /nfs/dbraw/zinc/78/35/07/184783507.db2.gz CKICDDRJYHBVOM-SFYZADRCSA-N 1 0 269.326 1.466 20 5 CDBDRO C[C@H]1C[NH2+]CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000261877957 390491523 /nfs/dbraw/zinc/49/15/23/390491523.db2.gz TWGWXMYIXGRGLH-ZETCQYMHSA-N 1 0 256.693 1.441 20 5 CDBDRO CCN(CCO)Cc1cc([N+](=O)[O-])ccc1OC ZINC000049754548 390472689 /nfs/dbraw/zinc/47/26/89/390472689.db2.gz VNHQQFSUBPOKDJ-UHFFFAOYSA-N 1 0 254.286 1.418 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)NCCF ZINC000449305454 390865077 /nfs/dbraw/zinc/86/50/77/390865077.db2.gz GNBKEWZDFLITAO-WDEREUQCSA-N 1 0 297.330 1.590 20 5 CDBDRO C[NH2+]C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000430922159 390942472 /nfs/dbraw/zinc/94/24/72/390942472.db2.gz XTTJIBCMSGJCQD-UHFFFAOYSA-N 1 0 279.340 1.657 20 5 CDBDRO C[C@H]1CSCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000179217029 390945316 /nfs/dbraw/zinc/94/53/16/390945316.db2.gz IPSMFYTXSPKPRC-JTQLQIEISA-N 1 0 283.353 1.194 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000092135517 391225805 /nfs/dbraw/zinc/22/58/05/391225805.db2.gz MRVOYLRMHGGVJK-JTQLQIEISA-N 1 0 265.313 1.109 20 5 CDBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415032151 391248096 /nfs/dbraw/zinc/24/80/96/391248096.db2.gz FSLCIBOVXCVJEL-ZDUSSCGKSA-N 1 0 265.313 1.063 20 5 CDBDRO C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000266783421 391336574 /nfs/dbraw/zinc/33/65/74/391336574.db2.gz NSAFGNBWBOSOPH-IINYFYTJSA-N 1 0 290.323 1.713 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000457111666 391405891 /nfs/dbraw/zinc/40/58/91/391405891.db2.gz ITGFPUHPALVKKP-NSHDSACASA-N 1 0 294.355 1.488 20 5 CDBDRO C[NH2+]CCNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000415498035 391467758 /nfs/dbraw/zinc/46/77/58/391467758.db2.gz IJSPNQZEEOKCGA-UHFFFAOYSA-N 1 0 252.274 1.244 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC1([NH3+])CCC1 ZINC000415510455 391468519 /nfs/dbraw/zinc/46/85/19/391468519.db2.gz ZASRDFFJJOYUPU-UHFFFAOYSA-N 1 0 294.311 1.606 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)CC[NH3+] ZINC000415510188 391468603 /nfs/dbraw/zinc/46/86/03/391468603.db2.gz YJBMUNUBSFPPBD-VIFPVBQESA-N 1 0 266.301 1.762 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415627560 391469706 /nfs/dbraw/zinc/46/97/06/391469706.db2.gz BOOKWCGTSGJQSR-QMMMGPOBSA-N 1 0 282.275 1.546 20 5 CDBDRO COC[C@H](CCO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268971403 391474248 /nfs/dbraw/zinc/47/42/48/391474248.db2.gz AOYNVQYNULMJNG-RYUDHWBXSA-N 1 0 282.340 1.951 20 5 CDBDRO CC1(NC(=O)c2ccc([N+](=O)[O-])o2)CC[NH2+]CC1 ZINC000189328884 391749765 /nfs/dbraw/zinc/74/97/65/391749765.db2.gz JNFJBSZBUPIGOH-UHFFFAOYSA-N 1 0 253.258 1.060 20 5 CDBDRO CCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cn1 ZINC000190287195 130085884 /nfs/dbraw/zinc/08/58/84/130085884.db2.gz LFWUVVHYNDRBFQ-UHFFFAOYSA-N 1 0 252.318 1.768 20 5 CDBDRO C[C@@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000190812590 130150074 /nfs/dbraw/zinc/15/00/74/130150074.db2.gz DGPJPATXKGYXKS-WDEREUQCSA-N 1 0 268.313 1.158 20 5 CDBDRO O=C(NCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000194225438 392152475 /nfs/dbraw/zinc/15/24/75/392152475.db2.gz AFMMKORJHXPURN-UHFFFAOYSA-N 1 0 295.314 1.950 20 5 CDBDRO Cc1sc(C(=O)N(C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000237632636 131048726 /nfs/dbraw/zinc/04/87/26/131048726.db2.gz MQNSFYNSKBCMDM-ZCFIWIBFSA-N 1 0 257.315 1.384 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000237918826 131065467 /nfs/dbraw/zinc/06/54/67/131065467.db2.gz SKUHYRFVXPMFEK-NSHDSACASA-N 1 0 292.339 1.347 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000237915220 131066042 /nfs/dbraw/zinc/06/60/42/131066042.db2.gz ONPMSQFHUPLREH-STQMWFEESA-N 1 0 291.351 1.771 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000237975863 131069642 /nfs/dbraw/zinc/06/96/42/131069642.db2.gz ONPMSQFHUPLREH-QWHCGFSZSA-N 1 0 291.351 1.771 20 5 CDBDRO O=C(CC[C@@H]1CCC[NH2+]1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000261711200 131163351 /nfs/dbraw/zinc/16/33/51/131163351.db2.gz PFHUAUREPPPFGR-ZDUSSCGKSA-N 1 0 291.351 1.786 20 5 CDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261723048 131164524 /nfs/dbraw/zinc/16/45/24/131164524.db2.gz QGSDJGUMFBORCX-BXKDBHETSA-N 1 0 293.298 1.558 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000261733888 131165942 /nfs/dbraw/zinc/16/59/42/131165942.db2.gz LWPCSTAVAWLZHH-QMMMGPOBSA-N 1 0 283.353 1.654 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC1(C[NH3+])CCCC1 ZINC000262281590 131207458 /nfs/dbraw/zinc/20/74/58/131207458.db2.gz XDXLERNFNXKWRZ-UHFFFAOYSA-N 1 0 278.312 1.178 20 5 CDBDRO CCCc1n[nH]c(C(=O)N(C)CC(C)(C)C[NH3+])c1[N+](=O)[O-] ZINC000262579635 131236127 /nfs/dbraw/zinc/23/61/27/131236127.db2.gz ICNQCQMMEIJAFD-UHFFFAOYSA-N 1 0 297.359 1.327 20 5 CDBDRO Nc1c(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000262605877 131239626 /nfs/dbraw/zinc/23/96/26/131239626.db2.gz BRDVDOVONJQVKB-WCBMZHEXSA-N 1 0 278.312 1.034 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000262979616 131277677 /nfs/dbraw/zinc/27/76/77/131277677.db2.gz YNZFPVJZXGNCTB-GHMZBOCLSA-N 1 0 293.323 1.230 20 5 CDBDRO C[C@H](NC(=O)N1CCC[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000418229196 392879226 /nfs/dbraw/zinc/87/92/26/392879226.db2.gz GHVHCRHEZDVJIN-CMPLNLGQSA-N 1 0 292.339 1.789 20 5 CDBDRO COc1ccc(C[N@H+](C[C@@H](O)CO)C(C)C)cc1[N+](=O)[O-] ZINC000421004811 392925958 /nfs/dbraw/zinc/92/59/58/392925958.db2.gz UJFBLBLDXWRIED-GFCCVEGCSA-N 1 0 298.339 1.167 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000269195020 132129096 /nfs/dbraw/zinc/12/90/96/132129096.db2.gz LIYQMHUOCNAGPP-VIFPVBQESA-N 1 0 275.264 1.514 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CNCCO1 ZINC000423556163 392964518 /nfs/dbraw/zinc/96/45/18/392964518.db2.gz HWBGLODFTJIWCO-DGCLKSJQSA-N 1 0 279.340 1.104 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000423672605 392965653 /nfs/dbraw/zinc/96/56/53/392965653.db2.gz DZYGPVNRIXBXKE-JTQLQIEISA-N 1 0 265.313 1.679 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000194901157 393004515 /nfs/dbraw/zinc/00/45/15/393004515.db2.gz PFIBLSYXIRJGKO-QMMMGPOBSA-N 1 0 269.326 1.150 20 5 CDBDRO [NH3+][C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430611037 393102195 /nfs/dbraw/zinc/10/21/95/393102195.db2.gz NGRGRKDKAFJXBU-SNVBAGLBSA-N 1 0 251.286 1.007 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000282062254 393170775 /nfs/dbraw/zinc/17/07/75/393170775.db2.gz BPHPCXUHTVOAAM-DGCLKSJQSA-N 1 0 295.339 1.256 20 5 CDBDRO COc1cc(F)cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000449197826 393131484 /nfs/dbraw/zinc/13/14/84/393131484.db2.gz YAZNHVDPCXGTRU-UHFFFAOYSA-N 1 0 294.286 1.729 20 5 CDBDRO C[C@H]1OCC[C@]1(C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494226632 393229012 /nfs/dbraw/zinc/22/90/12/393229012.db2.gz IYYHUANPBZBGKZ-YGRLFVJLSA-N 1 0 293.323 1.690 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000132027618 393211101 /nfs/dbraw/zinc/21/11/01/393211101.db2.gz NVYWJYDYJKWLOK-QJSMKMSWSA-N 1 0 289.335 1.804 20 5 CDBDRO COc1ccc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)cc1[N+](=O)[O-] ZINC000292636219 533672444 /nfs/dbraw/zinc/67/24/44/533672444.db2.gz JYTBYIAQYDHDBA-NEPJUHHUSA-N 1 0 296.323 1.233 20 5 CDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCSCC1 ZINC000187379553 140078564 /nfs/dbraw/zinc/07/85/64/140078564.db2.gz BDFMFWVIXSNSJO-JTQLQIEISA-N 1 0 284.385 1.913 20 5 CDBDRO C[C@H]1C(=O)NCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000189309517 140112560 /nfs/dbraw/zinc/11/25/60/140112560.db2.gz ZPCONIXDWKOXHC-NSHDSACASA-N 1 0 293.323 1.184 20 5 CDBDRO COc1ccc(C[NH2+]C[C@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000226578470 140181624 /nfs/dbraw/zinc/18/16/24/140181624.db2.gz IQHSCGKNFYDAMH-VIFPVBQESA-N 1 0 276.239 1.319 20 5 CDBDRO COc1cc(N2CC[NH2+][C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000227856412 140188136 /nfs/dbraw/zinc/18/81/36/140188136.db2.gz XSYNOWAJCFZTNO-MRVPVSSYSA-N 1 0 269.276 1.541 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)C[C@@H]21 ZINC000230070819 140206922 /nfs/dbraw/zinc/20/69/22/140206922.db2.gz XDUBVJPDGUSURS-KXUCPTDWSA-N 1 0 295.364 1.856 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000231856107 140220324 /nfs/dbraw/zinc/22/03/24/140220324.db2.gz CWJUWCMXMSVMPE-LLVKDONJSA-N 1 0 263.297 1.129 20 5 CDBDRO Cc1c(CNC(=O)C(C)(C)C[NH3+])cccc1[N+](=O)[O-] ZINC000231855878 140220346 /nfs/dbraw/zinc/22/03/46/140220346.db2.gz WRDQTPMIPPSAHA-UHFFFAOYSA-N 1 0 265.313 1.504 20 5 CDBDRO Cc1c(C(=O)N[C@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000232231832 140221214 /nfs/dbraw/zinc/22/12/14/140221214.db2.gz ASEHFBHFGVDWAZ-NSHDSACASA-N 1 0 277.324 1.775 20 5 CDBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000232870340 140224784 /nfs/dbraw/zinc/22/47/84/140224784.db2.gz GNAXCLKRYGUEOU-SNVBAGLBSA-N 1 0 280.328 1.431 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000235632461 140236420 /nfs/dbraw/zinc/23/64/20/140236420.db2.gz KUJLYBHMGHUNOJ-ONGXEEELSA-N 1 0 263.297 1.322 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000261540676 140344140 /nfs/dbraw/zinc/34/41/40/140344140.db2.gz AIMZZBQHEIEYTR-SFYZADRCSA-N 1 0 254.315 1.240 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000261545572 140345150 /nfs/dbraw/zinc/34/51/50/140345150.db2.gz DRUJNGUAIWJBQS-VIFPVBQESA-N 1 0 254.290 1.026 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@](C)(C[NH3+])C1 ZINC000261553051 140346636 /nfs/dbraw/zinc/34/66/36/140346636.db2.gz AAULWGQBRHZAKV-GFCCVEGCSA-N 1 0 250.302 1.473 20 5 CDBDRO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000261574472 140352842 /nfs/dbraw/zinc/35/28/42/140352842.db2.gz BEKMWENSVXZEAX-WRWORJQWSA-N 1 0 267.260 1.296 20 5 CDBDRO CCc1nn(C)c(N2CC[C@@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC000261583983 140355599 /nfs/dbraw/zinc/35/55/99/140355599.db2.gz HPPCGNBQBGQGHJ-LBPRGKRZSA-N 1 0 267.333 1.066 20 5 CDBDRO O=[N+]([O-])c1cccc(CN2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261586037 140356823 /nfs/dbraw/zinc/35/68/23/140356823.db2.gz IQWNLAXWFIJELW-STQMWFEESA-N 1 0 261.325 1.636 20 5 CDBDRO COC[C@]1(CNc2ncc([N+](=O)[O-])s2)CCC[NH2+]1 ZINC000261587695 140356929 /nfs/dbraw/zinc/35/69/29/140356929.db2.gz VCTWLTDHXHPLMU-SNVBAGLBSA-N 1 0 272.330 1.232 20 5 CDBDRO O=[N+]([O-])c1cccc(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261586036 140357197 /nfs/dbraw/zinc/35/71/97/140357197.db2.gz IQWNLAXWFIJELW-QWHCGFSZSA-N 1 0 261.325 1.636 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261589414 140358006 /nfs/dbraw/zinc/35/80/06/140358006.db2.gz KQWMOJDRMIHNHC-CABZTGNLSA-N 1 0 263.297 1.085 20 5 CDBDRO COCC1(CNc2ccc([N+](=O)[O-])nc2)CC[NH2+]CC1 ZINC000261646087 140369162 /nfs/dbraw/zinc/36/91/62/140369162.db2.gz CUDIYBBCDICVEI-UHFFFAOYSA-N 1 0 280.328 1.418 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H](CC[NH3+])C1 ZINC000261696860 140376837 /nfs/dbraw/zinc/37/68/37/140376837.db2.gz ICZVZEPJTWEBAK-NSHDSACASA-N 1 0 281.360 1.685 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000261827684 140395813 /nfs/dbraw/zinc/39/58/13/140395813.db2.gz UNDWNUYNBSEIIB-ZDUSSCGKSA-N 1 0 281.287 1.545 20 5 CDBDRO CCc1nn(C)c(N2CC[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000261873553 140401304 /nfs/dbraw/zinc/40/13/04/140401304.db2.gz ZIRRGIWCRQITEU-CYBMUJFWSA-N 1 0 279.344 1.081 20 5 CDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCC[C@H]1CC[NH2+]C1 ZINC000262565053 140429594 /nfs/dbraw/zinc/42/95/94/140429594.db2.gz CECNWXPBMZZHTD-LLVKDONJSA-N 1 0 293.323 1.089 20 5 CDBDRO C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000135221818 397910078 /nfs/dbraw/zinc/91/00/78/397910078.db2.gz XLTFHRUUUMWMND-NXEZZACHSA-N 1 0 295.314 1.852 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000262430936 149063649 /nfs/dbraw/zinc/06/36/49/149063649.db2.gz DXKREQDBULVGRI-SECBINFHSA-N 1 0 299.758 1.905 20 5 CDBDRO [NH3+]CCCCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000310654365 149198271 /nfs/dbraw/zinc/19/82/71/149198271.db2.gz ZRXJNAAWNVEMGR-UHFFFAOYSA-N 1 0 267.314 1.750 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1C ZINC000345980500 153015639 /nfs/dbraw/zinc/01/56/39/153015639.db2.gz LCEJUWGKYOCUMJ-NXEZZACHSA-N 1 0 280.328 1.478 20 5 CDBDRO [NH3+][C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000346086856 153047993 /nfs/dbraw/zinc/04/79/93/153047993.db2.gz VAOGGYPSGDHQEX-VIFPVBQESA-N 1 0 276.296 1.659 20 5 CDBDRO CCc1ccc(C(=O)N[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000346134962 153065658 /nfs/dbraw/zinc/06/56/58/153065658.db2.gz KQQGZUYCNCEGHX-SNVBAGLBSA-N 1 0 279.340 1.837 20 5 CDBDRO COc1cc(C(=O)N[C@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000346161872 153078768 /nfs/dbraw/zinc/07/87/68/153078768.db2.gz NGBRCIYPMVOUDM-SECBINFHSA-N 1 0 295.339 1.592 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000346223598 153102853 /nfs/dbraw/zinc/10/28/53/153102853.db2.gz MPFQMDKDBWOJIG-UWVGGRQHSA-N 1 0 297.330 1.904 20 5 CDBDRO [NH3+]CCN(C[C@@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000348919320 154006856 /nfs/dbraw/zinc/00/68/56/154006856.db2.gz FWDDZPPTUSHFAE-LBPRGKRZSA-N 1 0 279.340 1.787 20 5 CDBDRO O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCc2c1cccc2[N+](=O)[O-] ZINC000375256399 160358244 /nfs/dbraw/zinc/35/82/44/160358244.db2.gz QNTMLZWROVGOFJ-NHYWBVRUSA-N 1 0 287.319 1.484 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359472437 158257787 /nfs/dbraw/zinc/25/77/87/158257787.db2.gz LSURVESSMXGPPC-DWMAKUKJSA-N 1 0 273.336 1.759 20 5 CDBDRO C[NH+](C)[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000359484667 158261367 /nfs/dbraw/zinc/26/13/67/158261367.db2.gz CGICBBZYVYHBDL-ZDUSSCGKSA-N 1 0 292.339 1.446 20 5 CDBDRO O=C(N[C@H]1C[C@@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000361111729 158730208 /nfs/dbraw/zinc/73/02/08/158730208.db2.gz RWRDZIVOPXKTRC-KOLCDFICSA-N 1 0 278.312 1.041 20 5 CDBDRO COCCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361263370 158776714 /nfs/dbraw/zinc/77/67/14/158776714.db2.gz WFQHVJPSAOQEHN-UHFFFAOYSA-N 1 0 278.312 1.939 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](CO)C(C)C ZINC000362183571 159093100 /nfs/dbraw/zinc/09/31/00/159093100.db2.gz SKYBCJQPSMFEIC-NSHDSACASA-N 1 0 295.339 1.448 20 5 CDBDRO Cc1cc(N2CCC[N@@H+]3CCC[C@H]3C2)ncc1[N+](=O)[O-] ZINC000363583241 159330458 /nfs/dbraw/zinc/33/04/58/159330458.db2.gz RENMIDGNMCXHHA-LBPRGKRZSA-N 1 0 276.340 1.973 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000373280289 160188492 /nfs/dbraw/zinc/18/84/92/160188492.db2.gz WRPKNFGIOWGAEH-HNNXBMFYSA-N 1 0 292.335 1.950 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000021035745 171292349 /nfs/dbraw/zinc/29/23/49/171292349.db2.gz DHHCBUJMZDOCPE-UHFFFAOYSA-N 1 0 250.258 1.032 20 5 CDBDRO CN1CCO[C@@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000285016093 196177782 /nfs/dbraw/zinc/17/77/82/196177782.db2.gz ZKOWXRBNKOVXMW-LSDHHAIUSA-N 1 0 291.351 1.500 20 5 CDBDRO CCNC(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000036780311 172697141 /nfs/dbraw/zinc/69/71/41/172697141.db2.gz BVCVEDVLQJFKRH-SECBINFHSA-N 1 0 251.286 1.382 20 5 CDBDRO C[NH2+]CCC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000285726427 196379710 /nfs/dbraw/zinc/37/97/10/196379710.db2.gz GALNTYDKTCMISL-UHFFFAOYSA-N 1 0 294.355 1.431 20 5 CDBDRO Nc1c(C(=O)N2CCCC[C@@H]2CC[NH3+])cccc1[N+](=O)[O-] ZINC000285761034 196390832 /nfs/dbraw/zinc/39/08/32/196390832.db2.gz ADGLZHROCQLALT-SNVBAGLBSA-N 1 0 292.339 1.521 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1COCCO1 ZINC000038060691 174071570 /nfs/dbraw/zinc/07/15/70/174071570.db2.gz CEQGJKCQSPYTMW-NSHDSACASA-N 1 0 252.270 1.100 20 5 CDBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C ZINC000040676162 174373870 /nfs/dbraw/zinc/37/38/70/174373870.db2.gz MGSGNDHNLKJWNA-SNVBAGLBSA-N 1 0 265.313 1.204 20 5 CDBDRO CN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000214660615 260044017 /nfs/dbraw/zinc/04/40/17/260044017.db2.gz DALVZMSWEQLEHL-ZHRWSRJISA-N 1 0 275.308 1.428 20 5 CDBDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000517366618 260156959 /nfs/dbraw/zinc/15/69/59/260156959.db2.gz KHEPRKVWJDXXQP-DGCLKSJQSA-N 1 0 266.297 1.407 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823195347 782038628 /nfs/dbraw/zinc/03/86/28/782038628.db2.gz VKMXOTLXJPMMSP-UKRRQHHQSA-N 1 0 293.367 1.654 20 5 CDBDRO CC1(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000189333434 270276506 /nfs/dbraw/zinc/27/65/06/270276506.db2.gz BFHGSBRDOVGJMY-QPJJXVBHSA-N 1 0 289.335 1.866 20 5 CDBDRO COc1cc(C[NH2+]CCCCO)c([N+](=O)[O-])cc1OC ZINC000193254512 270304232 /nfs/dbraw/zinc/30/42/32/270304232.db2.gz YDYUIFYDMXDDNZ-UHFFFAOYSA-N 1 0 284.312 1.474 20 5 CDBDRO [NH3+]CC[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(F)F ZINC000394769539 270339107 /nfs/dbraw/zinc/33/91/07/270339107.db2.gz DXERUVVOYQDRMO-PORFMDCZSA-N 1 0 299.277 1.707 20 5 CDBDRO C[NH+](C)C/C=C\C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000491627350 273790202 /nfs/dbraw/zinc/79/02/02/273790202.db2.gz DKKYJNSBVQFUMH-ARJAWSKDSA-N 1 0 275.308 1.602 20 5 CDBDRO C[NH+](C)C1CN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000273385701 273792804 /nfs/dbraw/zinc/79/28/04/273792804.db2.gz ZJLILUYVMRZITM-UHFFFAOYSA-N 1 0 255.705 1.998 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N[C@H](C)C[NH+](C)C)c1 ZINC000168969672 274118827 /nfs/dbraw/zinc/11/88/27/274118827.db2.gz QNJCIFYWPMIASX-SECBINFHSA-N 1 0 253.302 1.965 20 5 CDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000286246841 274438850 /nfs/dbraw/zinc/43/88/50/274438850.db2.gz BZZZGXPNLIKEGM-ZYHUDNBSSA-N 1 0 277.328 1.448 20 5 CDBDRO Cc1c(NC(=O)N(C)[C@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000414717132 274664189 /nfs/dbraw/zinc/66/41/89/274664189.db2.gz XTZYXFJYVUKOHM-MRVPVSSYSA-N 1 0 266.301 1.714 20 5 CDBDRO O=C(N[C@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000361111733 274995632 /nfs/dbraw/zinc/99/56/32/274995632.db2.gz RWRDZIVOPXKTRC-ONGXEEELSA-N 1 0 278.312 1.041 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261624286 275039459 /nfs/dbraw/zinc/03/94/59/275039459.db2.gz VCGJVLHBLOIZGW-CYBMUJFWSA-N 1 0 265.288 1.924 20 5 CDBDRO CC[NH2+]CC1CCN(c2c([N+](=O)[O-])c(C)nn2CC)CC1 ZINC000130017188 276264446 /nfs/dbraw/zinc/26/44/46/276264446.db2.gz XJCRQXORBXFCGB-UHFFFAOYSA-N 1 0 295.387 1.946 20 5 CDBDRO C[NH2+]CC1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000090692593 277021064 /nfs/dbraw/zinc/02/10/64/277021064.db2.gz XFWLNWSEMSMIPV-UHFFFAOYSA-N 1 0 264.329 1.734 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@H](C[NH3+])C2)c1 ZINC000155920513 277938179 /nfs/dbraw/zinc/93/81/79/277938179.db2.gz NIXONYPRQZIHLI-SECBINFHSA-N 1 0 251.286 1.388 20 5 CDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000269328290 278000673 /nfs/dbraw/zinc/00/06/73/278000673.db2.gz DRWIVNIWJOPSMV-VIFPVBQESA-N 1 0 295.343 1.217 20 5 CDBDRO COc1cccc(N2CC[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000261796185 278016833 /nfs/dbraw/zinc/01/68/33/278016833.db2.gz QURFXYHCIIWNOO-CQSZACIVSA-N 1 0 277.324 1.793 20 5 CDBDRO C[C@@H]([NH3+])CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000178634041 278307966 /nfs/dbraw/zinc/30/79/66/278307966.db2.gz VQEVTULFJINTIY-SSDOTTSWSA-N 1 0 271.704 1.715 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000111303558 279322557 /nfs/dbraw/zinc/32/25/57/279322557.db2.gz YHLFJQSPDPVCPZ-MLRMMBSGSA-N 1 0 263.297 1.462 20 5 CDBDRO CC[NH+](CC)CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000193847936 280013645 /nfs/dbraw/zinc/01/36/45/280013645.db2.gz AVUWIPOIRCBWEG-UHFFFAOYSA-N 1 0 279.340 1.895 20 5 CDBDRO C[NH2+]CCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000237085147 280156847 /nfs/dbraw/zinc/15/68/47/280156847.db2.gz QBTJBJITVRPKHR-HWKANZROSA-N 1 0 267.260 1.083 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000237112052 280157604 /nfs/dbraw/zinc/15/76/04/280157604.db2.gz OTWNMIVXLUDJBI-NSHDSACASA-N 1 0 279.340 1.499 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000237177014 280162403 /nfs/dbraw/zinc/16/24/03/280162403.db2.gz WZJPJGOHLWVDPK-QMMMGPOBSA-N 1 0 291.311 1.056 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000237288187 280168521 /nfs/dbraw/zinc/16/85/21/280168521.db2.gz RCHINIKPZZJPKL-LLVKDONJSA-N 1 0 294.355 1.003 20 5 CDBDRO C[C@@H](O)C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H](C)CO ZINC000248928269 280395374 /nfs/dbraw/zinc/39/53/74/280395374.db2.gz LZVGYMHCGZMLRI-VXGBXAGGSA-N 1 0 298.339 1.037 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC([NH+](C)C)C1 ZINC000271732264 280397483 /nfs/dbraw/zinc/39/74/83/280397483.db2.gz NDJPKZROKGTOLQ-UHFFFAOYSA-N 1 0 291.351 1.906 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH3+])[C@@H](C)C2)n1 ZINC000220561561 281012976 /nfs/dbraw/zinc/01/29/76/281012976.db2.gz UESOCEIMDXOUNX-WCBMZHEXSA-N 1 0 250.302 1.472 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000285426477 281019736 /nfs/dbraw/zinc/01/97/36/281019736.db2.gz DXZHETHQMJHHSU-LERXQTSPSA-N 1 0 280.324 1.656 20 5 CDBDRO CCOCC[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000520799539 281052083 /nfs/dbraw/zinc/05/20/83/281052083.db2.gz MVCPEZIXMUTHIU-CYBMUJFWSA-N 1 0 282.340 1.780 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000157131581 289278958 /nfs/dbraw/zinc/27/89/58/289278958.db2.gz HVMHBMLYYSHEGA-FVOPLDGLSA-N 1 0 295.314 1.847 20 5 CDBDRO C[C@H]1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCS1(=O)=O ZINC000312090830 289426968 /nfs/dbraw/zinc/42/69/68/289426968.db2.gz POQKLGBGMRMPIW-CABZTGNLSA-N 1 0 284.337 1.260 20 5 CDBDRO COCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000552083444 290048996 /nfs/dbraw/zinc/04/89/96/290048996.db2.gz FFHUPHVATWTVFO-UHFFFAOYSA-N 1 0 280.324 1.880 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCN1c1ncccc1[N+](=O)[O-] ZINC000555241228 290210212 /nfs/dbraw/zinc/21/02/12/290210212.db2.gz JBEAJNNIMVCSTD-JTQLQIEISA-N 1 0 250.302 1.520 20 5 CDBDRO Cc1cnc(N2C[C@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000216237492 292918353 /nfs/dbraw/zinc/91/83/53/292918353.db2.gz NYJVRUWWENGGEX-UWVGGRQHSA-N 1 0 250.302 1.472 20 5 CDBDRO Cc1cc(NC(=O)N(C)[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000562755305 293191427 /nfs/dbraw/zinc/19/14/27/293191427.db2.gz CNFAMVQMXJPPRK-NSHDSACASA-N 1 0 278.312 1.729 20 5 CDBDRO CC(C)[NH2+]CC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000564349189 293348174 /nfs/dbraw/zinc/34/81/74/293348174.db2.gz KKOAGRVEOUWIAS-UHFFFAOYSA-N 1 0 280.328 1.121 20 5 CDBDRO CC(C)OCC[C@@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000565298889 293586098 /nfs/dbraw/zinc/58/60/98/293586098.db2.gz AUTYDJQWJWUSTQ-CQSZACIVSA-N 1 0 296.367 1.903 20 5 CDBDRO COc1ccc(CC(=O)NC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000567670080 293834831 /nfs/dbraw/zinc/83/48/31/293834831.db2.gz BKXFZBOXFXZGHS-NSHDSACASA-N 1 0 293.323 1.014 20 5 CDBDRO [NH3+][C@@H]1C[C@@H]1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000568396440 294028558 /nfs/dbraw/zinc/02/85/58/294028558.db2.gz IQQUHGHYZGGABH-QWHCGFSZSA-N 1 0 275.308 1.433 20 5 CDBDRO C[N@@H+]1CC[C@@]2(CCN(c3ncc([N+](=O)[O-])cc3F)C2)C1 ZINC000571144831 294375475 /nfs/dbraw/zinc/37/54/75/294375475.db2.gz AJDGMMFGNZWLJU-CYBMUJFWSA-N 1 0 280.303 1.661 20 5 CDBDRO COCC[C@@](C)(O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563820009 316377606 /nfs/dbraw/zinc/37/76/06/316377606.db2.gz AXMYOCLWHXKVBV-DZGCQCFKSA-N 1 0 294.351 1.959 20 5 CDBDRO CC[C@@H](COC)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566850822 316690072 /nfs/dbraw/zinc/69/00/72/316690072.db2.gz DMEDPSMJQHYVEA-NSHDSACASA-N 1 0 295.339 1.938 20 5 CDBDRO COc1ccc(CNC(=O)[C@@H]2CC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000570038834 316898859 /nfs/dbraw/zinc/89/88/59/316898859.db2.gz KMASGZFQMWAVGY-MWLCHTKSSA-N 1 0 293.323 1.218 20 5 CDBDRO CN(CCOc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000575748605 317007225 /nfs/dbraw/zinc/00/72/25/317007225.db2.gz NITUFORGLVBWQS-LBPRGKRZSA-N 1 0 265.313 1.267 20 5 CDBDRO C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000575802878 317017531 /nfs/dbraw/zinc/01/75/31/317017531.db2.gz UEEIOHMGDWSAIM-FJYXQWIHSA-N 1 0 261.325 1.887 20 5 CDBDRO COC[C@](C)(O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000382579788 323648876 /nfs/dbraw/zinc/64/88/76/323648876.db2.gz XGBOCNNWLOYVFO-GXFFZTMASA-N 1 0 268.313 1.643 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CCC[NH3+] ZINC000579449468 324187952 /nfs/dbraw/zinc/18/79/52/324187952.db2.gz AICVGFJCYBRILV-UHFFFAOYSA-N 1 0 266.301 1.716 20 5 CDBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000579573694 324221163 /nfs/dbraw/zinc/22/11/63/324221163.db2.gz PXSGDBNXBKCJLP-RISCZKNCSA-N 1 0 284.319 1.941 20 5 CDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000581318965 324712831 /nfs/dbraw/zinc/71/28/31/324712831.db2.gz NELNLJKSECHICV-CHWSQXEVSA-N 1 0 280.324 1.723 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000036282210 329506338 /nfs/dbraw/zinc/50/63/38/329506338.db2.gz NXBOJYDRBAUGAN-UHFFFAOYSA-N 1 0 281.312 1.333 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000111303941 522330392 /nfs/dbraw/zinc/33/03/92/522330392.db2.gz QDIOLMSVWLJOGR-QMMMGPOBSA-N 1 0 252.274 1.454 20 5 CDBDRO Cc1c(CNC(=O)NCC[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000418076937 533857341 /nfs/dbraw/zinc/85/73/41/533857341.db2.gz HIOJLVAVASGQGJ-VIFPVBQESA-N 1 0 280.328 1.440 20 5 CDBDRO CCC[NH2+]CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000236914497 519914920 /nfs/dbraw/zinc/91/49/20/519914920.db2.gz SSEWQDGCGPNOJS-UHFFFAOYSA-N 1 0 279.340 1.643 20 5 CDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[NH+]1CCCC1 ZINC000339879895 521792736 /nfs/dbraw/zinc/79/27/36/521792736.db2.gz OQTSIRUZFGBLSW-UHFFFAOYSA-N 1 0 292.339 1.462 20 5 CDBDRO C[NH2+]CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000234385934 522011033 /nfs/dbraw/zinc/01/10/33/522011033.db2.gz HAZRISXKVUDFEA-UHFFFAOYSA-N 1 0 264.207 1.640 20 5 CDBDRO C[NH2+][C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2C)C1 ZINC000053205007 522387168 /nfs/dbraw/zinc/38/71/68/522387168.db2.gz WKHXTLPMVSKFIZ-SNVBAGLBSA-N 1 0 250.302 1.486 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1O[C@@H]1CCC[NH2+]C1 ZINC000050505281 522984482 /nfs/dbraw/zinc/98/44/82/522984482.db2.gz RWFXVEYINSITTD-SNVBAGLBSA-N 1 0 252.270 1.734 20 5 CDBDRO COc1ccc(OCC[N@@H+]2C[C@@H](O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000340934664 524956139 /nfs/dbraw/zinc/95/61/39/524956139.db2.gz WPRPKBAFPXTJNQ-QWRGUYRKSA-N 1 0 296.323 1.437 20 5 CDBDRO Cc1c(C(=O)NCC[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000054265549 525615055 /nfs/dbraw/zinc/61/50/55/525615055.db2.gz BMNAWOMRIGDXFH-UHFFFAOYSA-N 1 0 263.297 1.385 20 5 CDBDRO C[C@@]1(CNc2ncc([N+](=O)[O-])s2)CCC[NH2+]C1 ZINC000226783953 525851226 /nfs/dbraw/zinc/85/12/26/525851226.db2.gz HWNWNMIDTDDOTI-SNVBAGLBSA-N 1 0 256.331 1.853 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063199175 526713463 /nfs/dbraw/zinc/71/34/63/526713463.db2.gz ICNJDBYMVIRIJK-LLVKDONJSA-N 1 0 292.339 1.527 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365331602 526716181 /nfs/dbraw/zinc/71/61/81/526716181.db2.gz PAVLUZBIFBJZKS-BDAKNGLRSA-N 1 0 265.269 1.012 20 5 CDBDRO O=[N+]([O-])c1c(NC[C@H]2C[NH2+]CCO2)ccc2ncccc21 ZINC000157410133 527322081 /nfs/dbraw/zinc/32/20/81/527322081.db2.gz BNVWWQCOIRSCGN-SNVBAGLBSA-N 1 0 288.307 1.543 20 5 CDBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000283953821 527841198 /nfs/dbraw/zinc/84/11/98/527841198.db2.gz YLQGMBXEOADSLS-LLVKDONJSA-N 1 0 278.356 1.955 20 5 CDBDRO CC1(C)[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@@H]2CCCO[C@@H]21 ZINC000182035969 535071512 /nfs/dbraw/zinc/07/15/12/535071512.db2.gz ARVUNWRYQDDPFM-XQQFMLRXSA-N 1 0 294.355 1.585 20 5 CDBDRO CN(CC1CC[NH2+]CC1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000094022113 1174458233 /nfs/dbraw/zinc/45/82/33/1174458233.db2.gz OEYLSZFRKYYLEB-UHFFFAOYSA-N 1 0 295.314 1.806 20 5 CDBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c2nonc21)C1CC1 ZINC000730107058 574850941 /nfs/dbraw/zinc/85/09/41/574850941.db2.gz VMPZJWZCNGWSFK-LLVKDONJSA-N 1 0 291.311 1.883 20 5 CDBDRO C[NH+](C)C[C@@H](O)CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000771069160 575543258 /nfs/dbraw/zinc/54/32/58/575543258.db2.gz YTZZHRKPZALWGB-JTQLQIEISA-N 1 0 290.323 1.477 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](CCO)C2CC2)cc1 ZINC000771794751 575611430 /nfs/dbraw/zinc/61/14/30/575611430.db2.gz IJZQRZLEMOEEGS-KGLIPLIRSA-N 1 0 280.324 1.379 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](CO)C1CC1 ZINC000763062856 576706692 /nfs/dbraw/zinc/70/66/92/576706692.db2.gz BNZYONYMADXWDN-LLVKDONJSA-N 1 0 266.297 1.334 20 5 CDBDRO CC[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000754248890 576887472 /nfs/dbraw/zinc/88/74/72/576887472.db2.gz YYOPVRTZOBDEOI-LLVKDONJSA-N 1 0 282.296 1.322 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2cccnc2)c1 ZINC000749644974 576956741 /nfs/dbraw/zinc/95/67/41/576956741.db2.gz GHYDQXBHDZYGRJ-CQSZACIVSA-N 1 0 273.292 1.813 20 5 CDBDRO [NH3+]C[C@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000219736809 617289212 /nfs/dbraw/zinc/28/92/12/617289212.db2.gz ONAKSIOAJDAQLD-GCLPIYDQSA-N 1 0 275.308 1.415 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@]2(C)CCO[C@@H]2C)c1[N+](=O)[O-] ZINC000893522535 618025341 /nfs/dbraw/zinc/02/53/41/618025341.db2.gz UWHOKIUDAUEHEH-YMTOWFKASA-N 1 0 296.323 1.966 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000893872158 618116835 /nfs/dbraw/zinc/11/68/35/618116835.db2.gz QPBBHHNTJNDWFD-ZDUSSCGKSA-N 1 0 277.324 1.348 20 5 CDBDRO CC(C)[N@@H+](C)C[C@H](C)Nc1c([N+](=O)[O-])cnn1C ZINC000893904076 618156865 /nfs/dbraw/zinc/15/68/65/618156865.db2.gz AONNZMGBJBFWTL-VIFPVBQESA-N 1 0 255.322 1.469 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841103957 618425757 /nfs/dbraw/zinc/42/57/57/618425757.db2.gz UDLUXZWTJGGKES-VROVMSAKSA-N 1 0 296.714 1.588 20 5 CDBDRO CN(C)c1cc[nH+]c(CNC(=O)CCC(C)(C)[N+](=O)[O-])c1 ZINC000927697517 618481569 /nfs/dbraw/zinc/48/15/69/618481569.db2.gz NZXWTIHWGZVRDC-UHFFFAOYSA-N 1 0 294.355 1.599 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@H]2C[C@H](CO)C2)n1 ZINC000927148616 621882097 /nfs/dbraw/zinc/88/20/97/621882097.db2.gz TUBZERHQBNUBFG-CYDGBPFRSA-N 1 0 294.355 1.636 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc(C[C@H]3CCC[NH2+]3)n2)cc1 ZINC000042164131 622077981 /nfs/dbraw/zinc/07/79/81/622077981.db2.gz PCRLRBMEXSRMSJ-SNVBAGLBSA-N 1 0 274.280 1.939 20 5 CDBDRO C[C@H](C[NH2+]CC[N+](=O)[O-])N1CCN(c2ccccc2)CC1 ZINC000899870089 622496045 /nfs/dbraw/zinc/49/60/45/622496045.db2.gz LJCXKPBXOIPOIB-CQSZACIVSA-N 1 0 292.383 1.063 20 5 CDBDRO COc1ccc(OC)c(CC[NH2+]CC[N+](=O)[O-])c1 ZINC000899873856 622499439 /nfs/dbraw/zinc/49/94/39/622499439.db2.gz VXZPTFYYFLHLTE-UHFFFAOYSA-N 1 0 254.286 1.113 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCN1C ZINC000903314838 625970102 /nfs/dbraw/zinc/97/01/02/625970102.db2.gz CDQYXYYWWGFDFM-CMPLNLGQSA-N 1 0 279.340 1.958 20 5 CDBDRO O=[N+]([O-])CCNCc1ccc(N2CCCCCC2)nc1 ZINC000905051368 626387110 /nfs/dbraw/zinc/38/71/10/626387110.db2.gz UYBDYWYLAFNGAS-UHFFFAOYSA-N 1 0 278.356 1.828 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000905031047 626391944 /nfs/dbraw/zinc/39/19/44/626391944.db2.gz KMRIHLSIWFLPQM-UHFFFAOYSA-N 1 0 260.297 1.281 20 5 CDBDRO COc1ccccc1O[C@@H](C)C[NH2+]CC[N+](=O)[O-] ZINC000905136680 626650421 /nfs/dbraw/zinc/65/04/21/626650421.db2.gz RLSKIMZJOUCSOF-JTQLQIEISA-N 1 0 254.286 1.329 20 5 CDBDRO O=C1C[C@H]([NH2+]CC[N+](=O)[O-])CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000905146948 626658378 /nfs/dbraw/zinc/65/83/78/626658378.db2.gz UHEKHPLZAVBLSX-BFHYXJOUSA-N 1 0 289.335 1.010 20 5 CDBDRO O=C(CCc1ccccc1)N1CC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905162318 626673310 /nfs/dbraw/zinc/67/33/10/626673310.db2.gz VQLDLJAMBVMADL-CQSZACIVSA-N 1 0 291.351 1.086 20 5 CDBDRO CO[C@H](C[NH2+]CC[N+](=O)[O-])c1ccccc1Cl ZINC000905163933 626674002 /nfs/dbraw/zinc/67/40/02/626674002.db2.gz DNAYGNLUWDNBKD-LLVKDONJSA-N 1 0 258.705 1.894 20 5 CDBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905228079 626684155 /nfs/dbraw/zinc/68/41/55/626684155.db2.gz FXAPQZBLNHYOQY-GHMZBOCLSA-N 1 0 287.360 1.689 20 5 CDBDRO COC[C@H](C[NH2+]CC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000905274486 626729987 /nfs/dbraw/zinc/72/99/87/626729987.db2.gz SZWBQBSYSCFLTE-NSHDSACASA-N 1 0 272.732 1.936 20 5 CDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H](O)c1c(F)cccc1Cl ZINC000905367245 626785978 /nfs/dbraw/zinc/78/59/78/626785978.db2.gz XTBHBRXIGJFCAE-RDDDGLTNSA-N 1 0 276.695 1.767 20 5 CDBDRO [NH3+]C1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000911620379 629367330 /nfs/dbraw/zinc/36/73/30/629367330.db2.gz QQQVIYFCTAUBNN-ZIAGYGMSSA-N 1 0 289.335 1.648 20 5 CDBDRO CSCC[C@H]([NH3+])CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000912272426 629881062 /nfs/dbraw/zinc/88/10/62/629881062.db2.gz MGRZPRDTKQKXOS-NSHDSACASA-N 1 0 297.380 1.682 20 5 CDBDRO CC[NH+](CC)CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000029161414 630174010 /nfs/dbraw/zinc/17/40/10/630174010.db2.gz CQVSPZHNNSQXME-UHFFFAOYSA-N 1 0 277.328 1.996 20 5 CDBDRO C[NH+](C)CCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000916971699 632116320 /nfs/dbraw/zinc/11/63/20/632116320.db2.gz XKCQVMRKLMJZSU-UHFFFAOYSA-N 1 0 292.339 1.461 20 5 CDBDRO C[NH+](C)CCCOC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000917526911 632236820 /nfs/dbraw/zinc/23/68/20/632236820.db2.gz FLTJMBUHAWPYNU-UHFFFAOYSA-N 1 0 270.260 1.842 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[NH+](C)C ZINC000930097401 632676941 /nfs/dbraw/zinc/67/69/41/632676941.db2.gz FCZVFLXMWXFJHJ-SECBINFHSA-N 1 0 297.380 1.997 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)CO)c([N+](=O)[O-])c1 ZINC001170300308 1162328428 /nfs/dbraw/zinc/32/84/28/1162328428.db2.gz ZAJMCYROXHWHNA-VHSXEESVSA-N 1 0 268.313 1.505 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]CC[C@H](C)O)c([N+](=O)[O-])c1 ZINC001170317196 1162335697 /nfs/dbraw/zinc/33/56/97/1162335697.db2.gz BQTQCMHEGVALIA-MNOVXSKESA-N 1 0 282.340 1.895 20 5 CDBDRO COC(=O)c1cnc(N2CCC[C@@H]([NH3+])[C@H]2C)c([N+](=O)[O-])c1 ZINC001157742440 1162378452 /nfs/dbraw/zinc/37/84/52/1162378452.db2.gz QANVYFGJLDUBPC-PSASIEDQSA-N 1 0 294.311 1.092 20 5 CDBDRO CC1(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001131475248 1162920288 /nfs/dbraw/zinc/92/02/88/1162920288.db2.gz ILOJMBFMUOSCIP-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO CCOc1cnc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC001170564264 1162927883 /nfs/dbraw/zinc/92/78/83/1162927883.db2.gz OTQWSQWJIJHLSP-CABZTGNLSA-N 1 0 296.327 1.177 20 5 CDBDRO C[C@@H](Nc1ccc2c([N+](=O)[O-])c[nH]c2n1)[C@@H]1C[NH2+]CCO1 ZINC001170565316 1162930487 /nfs/dbraw/zinc/93/04/87/1162930487.db2.gz UVZQJDBXVBRIBE-KCJUWKMLSA-N 1 0 291.311 1.260 20 5 CDBDRO C[C@@H](Nc1cccc2ncc([N+](=O)[O-])n21)[C@@H]1C[NH2+]CCO1 ZINC001170577079 1162995730 /nfs/dbraw/zinc/99/57/30/1162995730.db2.gz XZAHMOMYTYWQHT-ZJUUUORDSA-N 1 0 291.311 1.031 20 5 CDBDRO Cc1nccn1CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967483 1161996298 /nfs/dbraw/zinc/99/62/98/1161996298.db2.gz PXOPHVBJYAADTL-RYUDHWBXSA-N 1 0 252.318 1.227 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cnn(CCF)c2)C1 ZINC001168998614 1161996754 /nfs/dbraw/zinc/99/67/54/1161996754.db2.gz PAHKWSRGJUVHRU-ZYHUDNBSSA-N 1 0 270.308 1.388 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000123702414 1165317954 /nfs/dbraw/zinc/31/79/54/1165317954.db2.gz NNAJQMRKPKWTPL-LLVKDONJSA-N 1 0 263.297 1.969 20 5 CDBDRO Cc1c(C[NH2+]C[C@@H](O)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000873055422 1165507054 /nfs/dbraw/zinc/50/70/54/1165507054.db2.gz HTVVAAHXTQPRCM-OAHLLOKOSA-N 1 0 294.351 1.780 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877244044 1166001866 /nfs/dbraw/zinc/00/18/66/1166001866.db2.gz TZZQFKACRNACCK-HAQNSBGRSA-N 1 0 291.351 1.987 20 5 CDBDRO COCCN(C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877982838 1166124844 /nfs/dbraw/zinc/12/48/44/1166124844.db2.gz DTENHMPLQHLADK-UHFFFAOYSA-N 1 0 292.295 1.723 20 5 CDBDRO Cc1cc(=O)n(C[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000057836596 1167183107 /nfs/dbraw/zinc/18/31/07/1167183107.db2.gz OYQFHSDZQIYBMZ-SNVBAGLBSA-N 1 0 251.286 1.065 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001155565929 1167233452 /nfs/dbraw/zinc/23/34/52/1167233452.db2.gz VSHPTEOQMZVTCJ-SNVBAGLBSA-N 1 0 291.336 1.890 20 5 CDBDRO C[NH2+]C[C@@H]1CCCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000063169563 1169106378 /nfs/dbraw/zinc/10/63/78/1169106378.db2.gz XQXOZEBAJBNPAP-VIFPVBQESA-N 1 0 295.368 1.882 20 5 CDBDRO CC(C)(C(=O)NC[C@H]1CC[NH2+]1)c1ccc([N+](=O)[O-])cc1F ZINC001575088466 1171109944 /nfs/dbraw/zinc/10/99/44/1171109944.db2.gz AEDBWZFUOMYWGA-SECBINFHSA-N 1 0 295.314 1.490 20 5 CDBDRO C[C@@H]1CC[C@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C[NH2+]1 ZINC001576659260 1171481573 /nfs/dbraw/zinc/48/15/73/1171481573.db2.gz ICHNBQCWCOMTAG-KOLCDFICSA-N 1 0 295.314 1.533 20 5 CDBDRO CCOc1cc(NC(=O)C(C)(C)C[NH3+])ccc1[N+](=O)[O-] ZINC001578168571 1171825757 /nfs/dbraw/zinc/82/57/57/1171825757.db2.gz WOXOLGOVWMVSJU-UHFFFAOYSA-N 1 0 281.312 1.917 20 5 CDBDRO COc1ccc(NC(=O)N2C[C@@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC001579229143 1172121884 /nfs/dbraw/zinc/12/18/84/1172121884.db2.gz RUVARQSCGUJVNC-BDAKNGLRSA-N 1 0 294.311 1.557 20 5 CDBDRO C[C@@H](NC(=O)[C@@H](N)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC001579406570 1172168485 /nfs/dbraw/zinc/16/84/85/1172168485.db2.gz RCRVHJVRGQDRDP-MFKMUULPSA-N 1 0 294.355 1.051 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC001579734009 1172251147 /nfs/dbraw/zinc/25/11/47/1172251147.db2.gz JPMOGFSNGSMSSX-VHSXEESVSA-N 1 0 278.312 1.857 20 5 CDBDRO Cc1nc(NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001579864603 1172285488 /nfs/dbraw/zinc/28/54/88/1172285488.db2.gz YRRWTVNQGHLRIU-GZMMTYOYSA-N 1 0 282.275 1.184 20 5 CDBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001593466744 1174079144 /nfs/dbraw/zinc/07/91/44/1174079144.db2.gz GAKDKBSYIXBSML-PHIMTYICSA-N 1 0 286.295 1.227 20 5 CDBDRO CCN(c1ncc([N+](=O)[O-])cc1C)[C@@H]1CCC[NH2+]C1 ZINC000104327507 1174694042 /nfs/dbraw/zinc/69/40/42/1174694042.db2.gz ZSIAEEYONLUUDX-LLVKDONJSA-N 1 0 264.329 1.877 20 5 CDBDRO C[C@H]([NH3+])CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000261869359 1182200706 /nfs/dbraw/zinc/20/07/06/1182200706.db2.gz QLKZGERONFZPKQ-VIFPVBQESA-N 1 0 263.297 1.217 20 5 CDBDRO CO[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000300582130 1186385476 /nfs/dbraw/zinc/38/54/76/1186385476.db2.gz AODSRHXPMMZDHJ-BNOWGMLFSA-N 1 0 280.324 1.785 20 5 CDBDRO CN(CC1CC[NH+](C)CC1)c1ncc([N+](=O)[O-])cc1F ZINC000591145029 721933018 /nfs/dbraw/zinc/93/30/18/721933018.db2.gz YKTDNRNEWHAWKU-UHFFFAOYSA-N 1 0 282.319 1.907 20 5 CDBDRO O=[N+]([O-])CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000930279912 1164864265 /nfs/dbraw/zinc/86/42/65/1164864265.db2.gz VNJMIEWTMKKWJU-GASCZTMLSA-N 1 0 275.352 1.327 20 5 CDBDRO CC(=O)N[C@@H]1CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877595178 1166065106 /nfs/dbraw/zinc/06/51/06/1166065106.db2.gz ULTQKQLLWAXQCH-CYBMUJFWSA-N 1 0 291.351 1.922 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879964619 1166431139 /nfs/dbraw/zinc/43/11/39/1166431139.db2.gz LAFISGDODGXPDL-GFCCVEGCSA-N 1 0 296.371 1.583 20 5 CDBDRO CC[C@H](O)C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215188 912298341 /nfs/dbraw/zinc/29/83/41/912298341.db2.gz UFILVKFSQOQPGX-GWCFXTLKSA-N 1 0 252.314 1.886 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)[C@@H]1CCOC1 ZINC001173215915 912299357 /nfs/dbraw/zinc/29/93/57/912299357.db2.gz AYPGYVYTOUUULV-UXIGCNINSA-N 1 0 294.351 1.513 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)N(C)C ZINC001173217630 912303182 /nfs/dbraw/zinc/30/31/82/912303182.db2.gz XULJVUHTQUGXML-JTQLQIEISA-N 1 0 265.313 1.204 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](O)C1 ZINC001173221641 912306816 /nfs/dbraw/zinc/30/68/16/912306816.db2.gz KUWKZYSEKPPQIP-FZMZJTMJSA-N 1 0 264.325 1.983 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC[C@](C)(O)C1 ZINC001173221424 912307309 /nfs/dbraw/zinc/30/73/09/912307309.db2.gz IHOZSAHFMDOSII-IUODEOHRSA-N 1 0 294.351 1.609 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCNC(=O)CC1 ZINC001173223531 912312395 /nfs/dbraw/zinc/31/23/95/912312395.db2.gz ASAWCGBVIORDLY-NSHDSACASA-N 1 0 277.324 1.348 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](O)C1 ZINC001173226040 912314277 /nfs/dbraw/zinc/31/42/77/912314277.db2.gz KUWKZYSEKPPQIP-SMDDNHRTSA-N 1 0 264.325 1.983 20 5 CDBDRO CNC(=O)CC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173236134 912331753 /nfs/dbraw/zinc/33/17/53/912331753.db2.gz XJABJZWOWDKWCL-SNVBAGLBSA-N 1 0 265.313 1.252 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(C)C1 ZINC001173210104 912333526 /nfs/dbraw/zinc/33/35/26/912333526.db2.gz IJAVMLLXSLAKSG-WCQYABFASA-N 1 0 263.341 1.820 20 5 CDBDRO CCOC(=O)c1ccc(N[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001167278381 895028417 /nfs/dbraw/zinc/02/84/17/895028417.db2.gz HPFBOKIWXQWNAC-NSHDSACASA-N 1 0 293.323 1.888 20 5 CDBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C[NH2+]1 ZINC000261607285 895627799 /nfs/dbraw/zinc/62/77/99/895627799.db2.gz RQNLGAXOQAEHIR-NXEZZACHSA-N 1 0 267.304 1.916 20 5 CDBDRO O=C(NCC1C[NH2+]C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000262008275 895650145 /nfs/dbraw/zinc/65/01/45/895650145.db2.gz IYRPMGGNUDONGF-UHFFFAOYSA-N 1 0 275.264 1.290 20 5 CDBDRO CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001021744526 895734084 /nfs/dbraw/zinc/73/40/84/895734084.db2.gz XZTUDKTWAKMMBL-TXEJJXNPSA-N 1 0 277.324 1.742 20 5 CDBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ncc([N+](=O)[O-])cn1 ZINC001167624288 897083449 /nfs/dbraw/zinc/08/34/49/897083449.db2.gz RYIPSVKIIJMNKO-UHFFFAOYSA-N 1 0 279.344 1.870 20 5 CDBDRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000724879623 897465568 /nfs/dbraw/zinc/46/55/68/897465568.db2.gz DWBOERMFTKDTAY-CHWSQXEVSA-N 1 0 266.297 1.488 20 5 CDBDRO C[NH2+]CCNc1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001167723095 899351829 /nfs/dbraw/zinc/35/18/29/899351829.db2.gz JWTBEFVDCPWYHS-UHFFFAOYSA-N 1 0 264.260 1.913 20 5 CDBDRO [NH3+]CCc1ccn(-c2ncnc3sc([N+](=O)[O-])cc32)n1 ZINC001167729172 899474480 /nfs/dbraw/zinc/47/44/80/899474480.db2.gz CBBKIWMYVHZTRA-UHFFFAOYSA-N 1 0 290.308 1.286 20 5 CDBDRO COc1cc(C)c([N+](=O)[O-])cc1NC(=N)SCC[NH3+] ZINC001167914646 902127128 /nfs/dbraw/zinc/12/71/28/902127128.db2.gz NTMLQUYDLKLSLH-UHFFFAOYSA-N 1 0 284.341 1.950 20 5 CDBDRO COc1ncnc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c1[N+](=O)[O-] ZINC000711605732 903993299 /nfs/dbraw/zinc/99/32/99/903993299.db2.gz UMNAZXJPAMNUEZ-QPUJVOFHSA-N 1 0 279.300 1.090 20 5 CDBDRO [NH3+]CCOCc1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000843171185 921181922 /nfs/dbraw/zinc/18/19/22/921181922.db2.gz SWAVWUKWAMNAFA-UHFFFAOYSA-N 1 0 278.268 1.044 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc(C[C@@H]3C[NH2+]CCO3)n2)s1 ZINC000843219073 921282104 /nfs/dbraw/zinc/28/21/04/921282104.db2.gz SJZKNMKPJZYMOA-SSDOTTSWSA-N 1 0 296.308 1.237 20 5 CDBDRO CC(=O)Nc1ccc(N[C@H]2C[NH2+]CC[C@H]2F)cc1[N+](=O)[O-] ZINC001168232175 907952933 /nfs/dbraw/zinc/95/29/33/907952933.db2.gz UPWSWVPWADYVHS-PWSUYJOCSA-N 1 0 296.302 1.665 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc(CC3CC[NH2+]CC3)n2)o1 ZINC000843237429 921468892 /nfs/dbraw/zinc/46/88/92/921468892.db2.gz AMUMLRCXICVMOV-UHFFFAOYSA-N 1 0 278.268 1.780 20 5 CDBDRO C[NH2+][C@H](C)c1cn(Cc2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000714015345 909670589 /nfs/dbraw/zinc/67/05/89/909670589.db2.gz KLRZGPVSXZTALD-SNVBAGLBSA-N 1 0 275.312 1.823 20 5 CDBDRO CN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000159910211 909848430 /nfs/dbraw/zinc/84/84/30/909848430.db2.gz YJPLTHOEDNEHSY-GFCCVEGCSA-N 1 0 278.312 1.796 20 5 CDBDRO COC(=O)C[N@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921369 912063750 /nfs/dbraw/zinc/06/37/50/912063750.db2.gz PJVMPGOXGCXBEG-ZDUSSCGKSA-N 1 0 292.335 1.947 20 5 CDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000830135591 936446903 /nfs/dbraw/zinc/44/69/03/936446903.db2.gz PIRMYQCOLVWKAS-MCIONIFRSA-N 1 0 289.335 1.519 20 5 CDBDRO CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001050516674 936560653 /nfs/dbraw/zinc/56/06/53/936560653.db2.gz GJSNOJBALLXWJH-CHWSQXEVSA-N 1 0 295.383 1.376 20 5 CDBDRO CCC1(Nc2cc([N+](=O)[O-])cnc2OC)C[NH2+]C1 ZINC001168583958 919298980 /nfs/dbraw/zinc/29/89/80/919298980.db2.gz VCOWDTGBWNKGSL-UHFFFAOYSA-N 1 0 252.274 1.162 20 5 CDBDRO CCOc1ccc(-c2nc(CC[NH3+])no2)cc1[N+](=O)[O-] ZINC000843130610 919998748 /nfs/dbraw/zinc/99/87/48/919998748.db2.gz ORJGWDZFLCLADP-UHFFFAOYSA-N 1 0 278.268 1.545 20 5 CDBDRO [NH3+]CCCCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000700445192 922232128 /nfs/dbraw/zinc/23/21/28/922232128.db2.gz ZSEZZFQSHHWANQ-UHFFFAOYSA-N 1 0 279.340 1.773 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](Nc2c(F)c([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001162390095 922463237 /nfs/dbraw/zinc/46/32/37/922463237.db2.gz CBQGHBUWCVBEAQ-HTQZYQBOSA-N 1 0 270.264 1.049 20 5 CDBDRO COc1nc(C)c(NC[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC001162477617 922652134 /nfs/dbraw/zinc/65/21/34/922652134.db2.gz MRKPZDLTELOTOA-IUCAKERBSA-N 1 0 284.291 1.419 20 5 CDBDRO C[C@]1([NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000704323247 922868216 /nfs/dbraw/zinc/86/82/16/922868216.db2.gz BITYNMWNTJZPLR-LBPRGKRZSA-N 1 0 283.715 1.812 20 5 CDBDRO COc1ccc(NCC(C)(C)C[NH+](C)C)nc1[N+](=O)[O-] ZINC001168764133 924103507 /nfs/dbraw/zinc/10/35/07/924103507.db2.gz PQPGWJLSGWPTQA-UHFFFAOYSA-N 1 0 282.344 1.998 20 5 CDBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839616135 936916754 /nfs/dbraw/zinc/91/67/54/936916754.db2.gz ZOHOFNYBAYXHSP-JHJVBQTASA-N 1 0 283.372 1.422 20 5 CDBDRO COCC[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275118 926537954 /nfs/dbraw/zinc/53/79/54/926537954.db2.gz GIBXWRFUOPNVLT-GFCCVEGCSA-N 1 0 254.286 1.206 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CC[C@@H](CO)CC2)c1 ZINC000843079683 937110383 /nfs/dbraw/zinc/11/03/83/937110383.db2.gz LJOLXRJXHMHIDF-OSAQELSMSA-N 1 0 294.351 1.769 20 5 CDBDRO CC[C@H](C)[C@@H](O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843072440 937110497 /nfs/dbraw/zinc/11/04/97/937110497.db2.gz CGXWXFDUXUHYAG-BPNCWPANSA-N 1 0 282.340 1.625 20 5 CDBDRO CC(C)(C)C(=O)CNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001156061865 927281413 /nfs/dbraw/zinc/28/14/13/927281413.db2.gz RJYSHVIZXMQREQ-UHFFFAOYSA-N 1 0 293.327 1.099 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CC(C)(C)[NH3+])CC2 ZINC000843495399 937156653 /nfs/dbraw/zinc/15/66/53/937156653.db2.gz QUNJAGVUYUBAGV-UHFFFAOYSA-N 1 0 277.324 1.920 20 5 CDBDRO COC[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000850466438 927432845 /nfs/dbraw/zinc/43/28/45/927432845.db2.gz HDWHOUVRLQEBKO-ONGXEEELSA-N 1 0 284.312 1.261 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](CO)C2CCCCC2)C1 ZINC001168978150 927566181 /nfs/dbraw/zinc/56/61/81/927566181.db2.gz OVQIBQDVGVVBNG-MRVWCRGKSA-N 1 0 270.373 1.963 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)nc1 ZINC001168981141 927568248 /nfs/dbraw/zinc/56/82/48/927568248.db2.gz GCPOVSKLEZRAAZ-MNOVXSKESA-N 1 0 265.313 1.625 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC001168984324 927573598 /nfs/dbraw/zinc/57/35/98/927573598.db2.gz LYZFOWHKFDJOKU-GXSJLCMTSA-N 1 0 253.277 1.756 20 5 CDBDRO CC1(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)OCCO1 ZINC001168965954 927589335 /nfs/dbraw/zinc/58/93/35/927589335.db2.gz FDOVNSDQKWVTLQ-MNOVXSKESA-N 1 0 258.318 1.175 20 5 CDBDRO COC(=O)C(C)(C)C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168966275 927589549 /nfs/dbraw/zinc/58/95/49/927589549.db2.gz HFXBEHXLCPJLSH-ZJUUUORDSA-N 1 0 258.318 1.221 20 5 CDBDRO CCOC(=O)CCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168971962 927594486 /nfs/dbraw/zinc/59/44/86/927594486.db2.gz MAWBTHVLZMTTRK-WDEREUQCSA-N 1 0 258.318 1.365 20 5 CDBDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168970714 927594796 /nfs/dbraw/zinc/59/47/96/927594796.db2.gz IQLJPHTUWLUEAJ-LOWDOPEQSA-N 1 0 284.356 1.753 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCOc2ccccn2)C1 ZINC001168972632 927596456 /nfs/dbraw/zinc/59/64/56/927596456.db2.gz AKCGQTFZINPERB-RYUDHWBXSA-N 1 0 265.313 1.495 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN(c3ccncn3)C2)C1 ZINC001168992437 927600975 /nfs/dbraw/zinc/60/09/75/927600975.db2.gz JWBQOBMOUWPPDV-JHJVBQTASA-N 1 0 291.355 1.090 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CCN(CC3CCC3)C2)C1 ZINC001168992818 927601204 /nfs/dbraw/zinc/60/12/04/927601204.db2.gz KWTWEHFGBOVIDN-ZNMIVQPWSA-N 1 0 281.400 1.896 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H]2CCN(c3ccccn3)C2)C1 ZINC001168997296 927602884 /nfs/dbraw/zinc/60/28/84/927602884.db2.gz YNXJOKLFQRRXTG-BFHYXJOUSA-N 1 0 290.367 1.695 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccncc2)C1 ZINC001169001916 927605058 /nfs/dbraw/zinc/60/50/58/927605058.db2.gz IOPNOGHYOAQXSB-KGYLQXTDSA-N 1 0 265.313 1.150 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)C1 ZINC001169001669 927606228 /nfs/dbraw/zinc/60/62/28/927606228.db2.gz HHDQTXOECJBKOV-QNWHQSFQSA-N 1 0 256.346 1.573 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC3(CCOC3)CC2)C1 ZINC001169007641 927612531 /nfs/dbraw/zinc/61/25/31/927612531.db2.gz OVVANBGUHWZGPQ-QWHCGFSZSA-N 1 0 268.357 1.934 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cnn3ccccc23)C1 ZINC001169008677 927614627 /nfs/dbraw/zinc/61/46/27/927614627.db2.gz TVINTHRVPQDLSN-YPMHNXCESA-N 1 0 274.324 1.869 20 5 CDBDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011256 927616727 /nfs/dbraw/zinc/61/67/27/927616727.db2.gz IZACILMSOQLHGS-KKOKHZNYSA-N 1 0 252.314 1.628 20 5 CDBDRO COC(=O)CC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169012352 927617838 /nfs/dbraw/zinc/61/78/38/927617838.db2.gz PKJRSNRBGITGHV-STQMWFEESA-N 1 0 284.356 1.707 20 5 CDBDRO CC(=O)NCCCCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168989292 927627552 /nfs/dbraw/zinc/62/75/52/927627552.db2.gz VPQMIKYTUOEBEI-STQMWFEESA-N 1 0 271.361 1.328 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCOCC23CCC3)C1 ZINC001169033931 927640295 /nfs/dbraw/zinc/64/02/95/927640295.db2.gz DUHNDWNNMUHZBA-RYUDHWBXSA-N 1 0 254.330 1.687 20 5 CDBDRO C[NH2+]CCc1c(C)nn([C@H]2CC[C@H](C[N+](=O)[O-])C2)c1C ZINC001169039881 927653637 /nfs/dbraw/zinc/65/36/37/927653637.db2.gz VGIPJBXUMQQDRB-STQMWFEESA-N 1 0 280.372 1.880 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CC3(C2)CCOCC3)C1 ZINC001169021897 927664077 /nfs/dbraw/zinc/66/40/77/927664077.db2.gz AYKBXDXOGGNMOT-NWDGAFQWSA-N 1 0 254.330 1.544 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1-n1ccc([C@H](C)[NH3+])n1 ZINC001169229166 927831334 /nfs/dbraw/zinc/83/13/34/927831334.db2.gz FYQAFYNKNHIFCW-ZETCQYMHSA-N 1 0 262.273 1.237 20 5 CDBDRO C[NH+](C)C[C@@H]1CCCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000853244012 927989251 /nfs/dbraw/zinc/98/92/51/927989251.db2.gz AQGNGIKPNHLUMV-JTQLQIEISA-N 1 0 280.328 1.473 20 5 CDBDRO CN(C)C(=O)CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000853834780 928105682 /nfs/dbraw/zinc/10/56/82/928105682.db2.gz WSPUPPADSGKSAL-UHFFFAOYSA-N 1 0 294.355 1.051 20 5 CDBDRO [NH3+]Cc1ccc2c(n1)N(c1ncc([N+](=O)[O-])cn1)CCC2 ZINC001169584752 928236098 /nfs/dbraw/zinc/23/60/98/928236098.db2.gz QWUDWAHGORZJJG-UHFFFAOYSA-N 1 0 286.295 1.323 20 5 CDBDRO CS(=O)(=O)c1ccc(-n2ccc(C[NH3+])c2)c([N+](=O)[O-])c1 ZINC001169725861 928346835 /nfs/dbraw/zinc/34/68/35/928346835.db2.gz PHILUABWUJHWTQ-UHFFFAOYSA-N 1 0 295.320 1.248 20 5 CDBDRO [NH3+]CCc1cn(-c2cccnc2[N+](=O)[O-])c2cccnc12 ZINC001169707998 928360770 /nfs/dbraw/zinc/36/07/70/928360770.db2.gz FQMCMDXKHRSEDL-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO C[NH+](C)CCC(C)(C)Nc1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001169718664 928375422 /nfs/dbraw/zinc/37/54/22/928375422.db2.gz QKVSOYOUPKNJGT-UHFFFAOYSA-N 1 0 268.317 1.370 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])c(NCC23CC[NH+](CC2)CC3)c1F ZINC001169794728 928442165 /nfs/dbraw/zinc/44/21/65/928442165.db2.gz WIOMEVIHUAIFLH-UHFFFAOYSA-N 1 0 296.302 1.265 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@@H](C)[NH3+] ZINC000863565964 929569777 /nfs/dbraw/zinc/56/97/77/929569777.db2.gz YWPLINZFYSKYIA-SNVBAGLBSA-N 1 0 280.328 1.121 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C[C@H](C)[NH3+] ZINC000863565346 929570915 /nfs/dbraw/zinc/57/09/15/929570915.db2.gz HEQNKDPZOFMNPX-JTQLQIEISA-N 1 0 280.328 1.121 20 5 CDBDRO C[C@@H]([NH3+])CN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000863569102 929572544 /nfs/dbraw/zinc/57/25/44/929572544.db2.gz PVTLQLKAFKVZJP-SNVBAGLBSA-N 1 0 253.302 1.253 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCCOC2)cc1 ZINC000211113011 929738532 /nfs/dbraw/zinc/73/85/32/929738532.db2.gz VHPHRYVZZHXVBE-YPMHNXCESA-N 1 0 266.297 1.397 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000882487438 930013066 /nfs/dbraw/zinc/01/30/66/930013066.db2.gz VYERAUFOHGURNR-NSHDSACASA-N 1 0 281.287 1.558 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000882492174 930019398 /nfs/dbraw/zinc/01/93/98/930019398.db2.gz PWJXUVQWIBOKJM-SMDDNHRTSA-N 1 0 291.351 1.909 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1cc(F)cc(F)c1[N+](=O)[O-] ZINC001170865720 930531150 /nfs/dbraw/zinc/53/11/50/930531150.db2.gz QBNDKXNDPSTNMF-JTQLQIEISA-N 1 0 261.228 1.342 20 5 CDBDRO C[N@H+](CCO)CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000884825061 930638816 /nfs/dbraw/zinc/63/88/16/930638816.db2.gz CMVGXCULUHOILM-UHFFFAOYSA-N 1 0 273.720 1.584 20 5 CDBDRO C[C@H](N[C@H]1CC[NH2+]C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817945120 930641175 /nfs/dbraw/zinc/64/11/75/930641175.db2.gz UNJSCWVQAZZLCI-WPRPVWTQSA-N 1 0 250.302 1.190 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000818021274 930664986 /nfs/dbraw/zinc/66/49/86/930664986.db2.gz WQUFGNQIBRPSHG-UHFFFAOYSA-N 1 0 299.302 1.356 20 5 CDBDRO CC1(O)CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819132740 930760949 /nfs/dbraw/zinc/76/09/49/930760949.db2.gz HWNSKRUTRKWMMV-BLZCZZARSA-N 1 0 294.351 1.911 20 5 CDBDRO C[C@@H]1C[C@@H](N(C)Cc2cccnc2[N+](=O)[O-])CC[N@@H+]1C ZINC000886032565 930793140 /nfs/dbraw/zinc/79/31/40/930793140.db2.gz JCRQZXCNWZTOFX-YPMHNXCESA-N 1 0 278.356 1.904 20 5 CDBDRO CS[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000886094520 930802241 /nfs/dbraw/zinc/80/22/41/930802241.db2.gz UOSYJXNJRIKEPD-NWDGAFQWSA-N 1 0 296.396 1.467 20 5 CDBDRO [NH3+][C@H](CC(=O)NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000137299178 930819713 /nfs/dbraw/zinc/81/97/13/930819713.db2.gz ZXGDCEOLBNXUKY-GFCCVEGCSA-N 1 0 263.297 1.338 20 5 CDBDRO CC(C)[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[N@@H+]1C ZINC000886310478 930855642 /nfs/dbraw/zinc/85/56/42/930855642.db2.gz MAXWHQFVVZSODK-CYBMUJFWSA-N 1 0 278.356 1.762 20 5 CDBDRO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000887401256 931082032 /nfs/dbraw/zinc/08/20/32/931082032.db2.gz RVRMIVQXSFAJRJ-NWDGAFQWSA-N 1 0 291.351 1.766 20 5 CDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822523426 931166622 /nfs/dbraw/zinc/16/66/22/931166622.db2.gz MLWYPLDOXGMDTL-GFCCVEGCSA-N 1 0 285.388 1.670 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001160144986 931211638 /nfs/dbraw/zinc/21/16/38/931211638.db2.gz NPKUJCNRECMZQE-MRVPVSSYSA-N 1 0 281.272 1.452 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000843503972 931502629 /nfs/dbraw/zinc/50/26/29/931502629.db2.gz NAXXDGVEGJJJAI-YUMQZZPRSA-N 1 0 266.301 1.033 20 5 CDBDRO Nc1ccnc(-n2cc3ccc(C[NH3+])cc3n2)c1[N+](=O)[O-] ZINC001171320371 932652261 /nfs/dbraw/zinc/65/22/61/932652261.db2.gz CALMNUOTXWQPJQ-UHFFFAOYSA-N 1 0 284.279 1.370 20 5 CDBDRO Cc1nc(N[C@H]2CCC[C@@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC001154990160 937617508 /nfs/dbraw/zinc/61/75/08/937617508.db2.gz XUTFNMIQHBZRFL-BDAKNGLRSA-N 1 0 251.290 1.375 20 5 CDBDRO C[C@@H](O)[C@@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000929852143 933280169 /nfs/dbraw/zinc/28/01/69/933280169.db2.gz FWJQEJHRDDGUCQ-YGRLFVJLSA-N 1 0 280.324 1.301 20 5 CDBDRO COc1cnc(N[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001155916235 937688420 /nfs/dbraw/zinc/68/84/20/937688420.db2.gz MUOWTIJYNHFRPN-MRVPVSSYSA-N 1 0 254.290 1.360 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(CCOc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000931282403 933532370 /nfs/dbraw/zinc/53/23/70/933532370.db2.gz SBPJZRJCANLIPB-FICVDOATSA-N 1 0 291.351 1.465 20 5 CDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC001120356620 937795399 /nfs/dbraw/zinc/79/53/99/937795399.db2.gz XIOVOGOWCDHQIP-XLFHBGCDSA-N 1 0 256.327 1.351 20 5 CDBDRO Cc1nn(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000795708116 934919322 /nfs/dbraw/zinc/91/93/22/934919322.db2.gz REYIRCBHLJRVQZ-YPMHNXCESA-N 1 0 293.371 1.616 20 5 CDBDRO CC[N@@H+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000796316664 935022615 /nfs/dbraw/zinc/02/26/15/935022615.db2.gz NUNIAIPEVZWOBU-WFASDCNBSA-N 1 0 293.367 1.654 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCCN1CC[C@]2(CCC[NH2+]2)C1 ZINC000420411697 935238892 /nfs/dbraw/zinc/23/88/92/935238892.db2.gz XXGPXJSGMXLEKP-OAHLLOKOSA-N 1 0 291.351 1.802 20 5 CDBDRO COC1CC[NH+](CCNc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000800857524 935942810 /nfs/dbraw/zinc/94/28/10/935942810.db2.gz VXAKGGHHYMZBRS-UHFFFAOYSA-N 1 0 294.355 1.700 20 5 CDBDRO CC(C)(C[NH3+])CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001121887148 937887072 /nfs/dbraw/zinc/88/70/72/937887072.db2.gz AZALLYYBGNJLHP-UHFFFAOYSA-N 1 0 277.324 1.812 20 5 CDBDRO CC(F)(F)C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001122517272 937939104 /nfs/dbraw/zinc/93/91/04/937939104.db2.gz ULQRQTSSMJYZKY-UHFFFAOYSA-N 1 0 287.266 1.456 20 5 CDBDRO CC[C@@H](C)Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001157236862 938468758 /nfs/dbraw/zinc/46/87/58/938468758.db2.gz APNBPSGMMAOFLO-SSDOTTSWSA-N 1 0 251.290 1.282 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3N)C[C@@H]21 ZINC001157272552 938473465 /nfs/dbraw/zinc/47/34/65/938473465.db2.gz OHBYWCWWRKCWSM-CABZTGNLSA-N 1 0 277.328 1.102 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([NH3+])[C@@H]1C ZINC001157731885 938537192 /nfs/dbraw/zinc/53/71/92/938537192.db2.gz GHCHTBFZTBYODM-GZMMTYOYSA-N 1 0 294.311 1.092 20 5 CDBDRO Cc1nc(Cl)nc(N2CCC[C@@H]([NH3+])[C@@H]2C)c1[N+](=O)[O-] ZINC001157734286 938537832 /nfs/dbraw/zinc/53/78/32/938537832.db2.gz VHTZJXBONDVMGJ-JGVFFNPUSA-N 1 0 285.735 1.663 20 5 CDBDRO C[C@H]1[C@H]([NH3+])CCCN1c1nccc(Cl)c1[N+](=O)[O-] ZINC001157734351 938538106 /nfs/dbraw/zinc/53/81/06/938538106.db2.gz VUHWFIMACGGDRA-IONNQARKSA-N 1 0 270.720 1.959 20 5 CDBDRO C[C@@H]([NH3+])CCNc1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001159774872 938751495 /nfs/dbraw/zinc/75/14/95/938751495.db2.gz XEDPSUQSAHZQFR-MRVPVSSYSA-N 1 0 261.285 1.687 20 5 CDBDRO [NH3+]Cc1nccnc1Nc1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001160245818 938776848 /nfs/dbraw/zinc/77/68/48/938776848.db2.gz HQNNSCVCYHFTRF-UHFFFAOYSA-N 1 0 297.278 1.530 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[NH2+]CC(C)(C)O1 ZINC001161950860 938947815 /nfs/dbraw/zinc/94/78/15/938947815.db2.gz PBVKWYIKDUONAK-LLVKDONJSA-N 1 0 280.328 1.477 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])c(NC[C@]2(CC3CC3)CCC[NH2+]2)c1 ZINC001162350054 939033718 /nfs/dbraw/zinc/03/37/18/939033718.db2.gz RBPDHFHFOHOXLL-CQSZACIVSA-N 1 0 292.339 1.562 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)cc1N[C@@H]1C=C[C@@H]2C[NH2+]C[C@H]12 ZINC001162789952 939140152 /nfs/dbraw/zinc/14/01/52/939140152.db2.gz OSISKSIJJWLOQZ-HRDYMLBCSA-N 1 0 280.715 1.829 20 5 CDBDRO [NH3+][C@@H]1Cc2ccccc2N(c2nccnc2[N+](=O)[O-])C1 ZINC001162841436 939150622 /nfs/dbraw/zinc/15/06/22/939150622.db2.gz IBHLJGDRRKRYLZ-SNVBAGLBSA-N 1 0 271.280 1.406 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)c1F ZINC001163147457 939213386 /nfs/dbraw/zinc/21/33/86/939213386.db2.gz VTUFJHOZKWZAEE-YUSALJHKSA-N 1 0 281.287 1.441 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(C(C)C)C(C)(C)C[NH3+] ZINC001163188479 939221939 /nfs/dbraw/zinc/22/19/39/939221939.db2.gz WNUSRSJOOBCDGN-UHFFFAOYSA-N 1 0 282.344 1.489 20 5 CDBDRO C[NH2+]C1CN(c2nc(Cl)cc(C)c2[N+](=O)[O-])C1 ZINC001163701412 939311072 /nfs/dbraw/zinc/31/10/72/939311072.db2.gz LABQHKJWMPQQIJ-UHFFFAOYSA-N 1 0 256.693 1.360 20 5 CDBDRO CCOc1cnc(N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001163772012 939327065 /nfs/dbraw/zinc/32/70/65/939327065.db2.gz IHQSWFQEXQKODP-VIFPVBQESA-N 1 0 268.317 1.751 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H](C)CC[C@@H]2C[NH3+])n1 ZINC001164070878 939405381 /nfs/dbraw/zinc/40/53/81/939405381.db2.gz POWGUNKLKGXDQF-IONNQARKSA-N 1 0 299.762 1.910 20 5 CDBDRO [NH3+][C@H]1CCN(c2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001164279886 939445224 /nfs/dbraw/zinc/44/52/24/939445224.db2.gz VDQHIGDKYHHYKD-ZETCQYMHSA-N 1 0 277.259 1.215 20 5 CDBDRO C[C@H]1CC[C@@H](C[NH3+])CN1c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001164463176 939475905 /nfs/dbraw/zinc/47/59/05/939475905.db2.gz XQJNKSNTTFXOQJ-IUCAKERBSA-N 1 0 295.299 1.462 20 5 CDBDRO C[C@H]1CC[C@H](C[NH3+])CN1c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001164463175 939476006 /nfs/dbraw/zinc/47/60/06/939476006.db2.gz XQJNKSNTTFXOQJ-DTWKUNHWSA-N 1 0 295.299 1.462 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(C)CC[NH+]1CCCC1 ZINC001165140061 939515999 /nfs/dbraw/zinc/51/59/99/939515999.db2.gz GNWBBTNXIVQVHG-UHFFFAOYSA-N 1 0 280.328 1.069 20 5 CDBDRO [NH3+][C@@]12C[C@@H]1CCN(c1ncc([N+](=O)[O-])cc1Cl)C2 ZINC001165324353 939545259 /nfs/dbraw/zinc/54/52/59/939545259.db2.gz JHAZRBCTMGFTGK-WRWORJQWSA-N 1 0 268.704 1.571 20 5 CDBDRO [NH3+][C@H]1[C@H]2CN(c3ccc4cccc([N+](=O)[O-])c4n3)C[C@@H]12 ZINC001165383411 939553726 /nfs/dbraw/zinc/55/37/26/939553726.db2.gz WMBRSZNERNBORJ-DDFAGTSDSA-N 1 0 270.292 1.536 20 5 CDBDRO Cc1nc(Cl)nc(N2CCC[C@H]3[NH2+]C[C@H]32)c1[N+](=O)[O-] ZINC001165387311 939555474 /nfs/dbraw/zinc/55/54/74/939555474.db2.gz KEBIDTFIOLMCRB-HTQZYQBOSA-N 1 0 283.719 1.287 20 5 CDBDRO C[C@@H]1CCCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)[C@@H]1C ZINC001166613642 939619681 /nfs/dbraw/zinc/61/96/81/939619681.db2.gz GTMBTPQFOSNOQO-NXEZZACHSA-N 1 0 291.355 1.696 20 5 CDBDRO CC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CCC[NH2+]C1 ZINC001218284912 941051692 /nfs/dbraw/zinc/05/16/92/941051692.db2.gz YRAYAXIWGSGQNJ-SNVBAGLBSA-N 1 0 264.281 1.928 20 5 CDBDRO C[C@@H](OCCN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001224548745 941767931 /nfs/dbraw/zinc/76/79/31/941767931.db2.gz FMFYEWCXEWWDFK-CYBMUJFWSA-N 1 0 293.367 1.920 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C)OCCCC[NH+](C)C ZINC001224990954 941811903 /nfs/dbraw/zinc/81/19/03/941811903.db2.gz JIEIMGZHRZLCRK-NSHDSACASA-N 1 0 284.360 1.847 20 5 CDBDRO COC(=O)c1ccncc1O[C@@H](C)C[N+](C)(C)C ZINC001225519353 941872680 /nfs/dbraw/zinc/87/26/80/941872680.db2.gz YZHHGKKKWVRIQE-JTQLQIEISA-N 1 0 253.322 1.342 20 5 CDBDRO Cc1cccc(C)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225978231 941936020 /nfs/dbraw/zinc/93/60/20/941936020.db2.gz PVRLHLZBFGQNLK-CYBMUJFWSA-N 1 0 266.361 1.666 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOc2cc([N+](=O)[O-])ccc2F)C1 ZINC001226269668 941978457 /nfs/dbraw/zinc/97/84/57/941978457.db2.gz IPIHAYGIMIIWNZ-LLVKDONJSA-N 1 0 284.287 1.833 20 5 CDBDRO C[N@@H+]1CCC[C@H](Oc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001226757879 942063702 /nfs/dbraw/zinc/06/37/02/942063702.db2.gz YKACLSNEPVMGGB-JTQLQIEISA-N 1 0 269.276 1.992 20 5 CDBDRO COCCc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001227189944 942147290 /nfs/dbraw/zinc/14/72/90/942147290.db2.gz FOHLZZXUALBBMT-CQSZACIVSA-N 1 0 296.387 1.238 20 5 CDBDRO CC/C=C\CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001227258869 942159425 /nfs/dbraw/zinc/15/94/25/942159425.db2.gz WGVNHQVAVZRGAO-JHZNUDOXSA-N 1 0 295.383 1.589 20 5 CDBDRO COc1cccc([N+](=O)[O-])c1OCC[N@H+]1CC[C@@H](OC)C1 ZINC001227702002 942206500 /nfs/dbraw/zinc/20/65/00/942206500.db2.gz RQWQRUUKFGGHOE-LLVKDONJSA-N 1 0 296.323 1.703 20 5 CDBDRO CC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1C ZINC001228213679 942282046 /nfs/dbraw/zinc/28/20/46/942282046.db2.gz ADRBDYVLPJDQJV-CYBMUJFWSA-N 1 0 294.371 1.560 20 5 CDBDRO CN1CCO[C@H](COc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001229378830 942460997 /nfs/dbraw/zinc/46/09/97/942460997.db2.gz ABVIMWHJCRSQIJ-JTQLQIEISA-N 1 0 286.715 1.958 20 5 CDBDRO C[C@H](C[NH+](C)C)Oc1ccc([N+](=O)[O-])nc1Cl ZINC001229914149 942552049 /nfs/dbraw/zinc/55/20/49/942552049.db2.gz BLPXNMYYBIRSST-SSDOTTSWSA-N 1 0 259.693 1.972 20 5 CDBDRO C[N@@H+]1CCC[C@@H](Oc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC001230311838 942604494 /nfs/dbraw/zinc/60/44/94/942604494.db2.gz AUUFCHPQERBQFU-SECBINFHSA-N 1 0 281.268 1.976 20 5 CDBDRO C[C@H](C[NH+](C)C)Oc1cc2n[nH]cc2cc1[N+](=O)[O-] ZINC001230596826 942652909 /nfs/dbraw/zinc/65/29/09/942652909.db2.gz USVDVHSNZZVVJO-MRVPVSSYSA-N 1 0 264.285 1.800 20 5 CDBDRO CC[N@H+](C)C[C@H]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001262684663 943669348 /nfs/dbraw/zinc/66/93/48/943669348.db2.gz AXMRXBJAXFGARC-SNVBAGLBSA-N 1 0 279.344 1.350 20 5 CDBDRO COCCC[NH+]1CCC(Oc2ccnc([N+](=O)[O-])c2)CC1 ZINC001233856534 943674585 /nfs/dbraw/zinc/67/45/85/943674585.db2.gz BDZFCLZMPHPQTH-UHFFFAOYSA-N 1 0 295.339 1.870 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(N2CCOCC2)c1 ZINC001234000440 943711592 /nfs/dbraw/zinc/71/15/92/943711592.db2.gz KSHWPNHMSQGFOR-CQSZACIVSA-N 1 0 279.404 1.997 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001263133957 943759042 /nfs/dbraw/zinc/75/90/42/943759042.db2.gz IIUIUEDBTVMZCW-ZNIXKSQXSA-N 1 0 291.351 1.940 20 5 CDBDRO CCOC(=O)c1cccnc1O[C@H](C)C[N+](C)(C)C ZINC001234619545 943916663 /nfs/dbraw/zinc/91/66/63/943916663.db2.gz XZOFKRHMHJVLNO-LLVKDONJSA-N 1 0 267.349 1.732 20 5 CDBDRO CC(=O)Nc1ccc(O[C@@H](C)C[N+](C)(C)C)nc1 ZINC001234649660 943927836 /nfs/dbraw/zinc/92/78/36/943927836.db2.gz SGXDLEVXZDMKTP-JTQLQIEISA-O 1 0 252.338 1.514 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001261431846 946113394 /nfs/dbraw/zinc/11/33/94/946113394.db2.gz PKTZTXHHJOJLAU-QWHCGFSZSA-N 1 0 291.351 1.771 20 5 CDBDRO C[C@H](NCC[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001262256842 946551370 /nfs/dbraw/zinc/55/13/70/946551370.db2.gz WJHNWBKETUPCQH-RYUDHWBXSA-N 1 0 255.362 1.506 20 5 CDBDRO CC[C@]([NH3+])(CO)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254539004 947516777 /nfs/dbraw/zinc/51/67/77/947516777.db2.gz AILKIIQGUTYNCT-ZWNOBZJWSA-N 1 0 267.329 1.173 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CO)C1 ZINC001254562815 947524616 /nfs/dbraw/zinc/52/46/16/947524616.db2.gz PFYCDJBPAQQETG-NWDGAFQWSA-N 1 0 264.325 1.840 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@H]2C[C@@H](C1)O2 ZINC001254558197 947525342 /nfs/dbraw/zinc/52/53/42/947525342.db2.gz DORQMEDMHVIFEW-RTXFEEFZSA-N 1 0 262.309 1.999 20 5 CDBDRO CC[C@@H](CO)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254564850 947527458 /nfs/dbraw/zinc/52/74/58/947527458.db2.gz AXPCQJQPIRUZTJ-NWDGAFQWSA-N 1 0 250.298 1.423 20 5 CDBDRO CCC[C@@H](CO)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254574606 947533864 /nfs/dbraw/zinc/53/38/64/947533864.db2.gz JDTIAOVXSMICLL-STQMWFEESA-N 1 0 264.325 1.813 20 5 CDBDRO CS(=O)(=O)CCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254576934 947536024 /nfs/dbraw/zinc/53/60/24/947536024.db2.gz AZSYWERISVCDBJ-GFCCVEGCSA-N 1 0 298.364 1.086 20 5 CDBDRO [NH3+]CCc1ccn([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254580299 947536804 /nfs/dbraw/zinc/53/68/04/947536804.db2.gz CHYBYDZZGQIYBM-CQSZACIVSA-N 1 0 272.308 1.632 20 5 CDBDRO C[C@@H](C[NH3+])C[N@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580592 947537210 /nfs/dbraw/zinc/53/72/10/947537210.db2.gz GSQRRCKAEQSGNH-HZMBPMFUSA-N 1 0 263.341 1.589 20 5 CDBDRO CN(C)C(=O)CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254584124 947539353 /nfs/dbraw/zinc/53/93/53/947539353.db2.gz PTTFJODZVOTBOL-GFCCVEGCSA-N 1 0 277.324 1.130 20 5 CDBDRO CC1(C)C(=O)NC[C@@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254589574 947543597 /nfs/dbraw/zinc/54/35/97/947543597.db2.gz PEPOKDOOPBAJEA-YPMHNXCESA-N 1 0 289.335 1.176 20 5 CDBDRO NC(=O)[C@@H]1CCCC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599934 947550642 /nfs/dbraw/zinc/55/06/42/947550642.db2.gz MZODYEBBAHMOLM-KBPBESRZSA-N 1 0 289.335 1.402 20 5 CDBDRO CC[C@H]([NH3+])CN(C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246972639 948549909 /nfs/dbraw/zinc/54/99/09/948549909.db2.gz CPENMYDWIZOUEG-JSGCOSHPSA-N 1 0 263.341 1.731 20 5 CDBDRO C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC001325743534 954053219 /nfs/dbraw/zinc/05/32/19/954053219.db2.gz NQBDDDFMXHBMOP-NXEZZACHSA-N 1 0 266.345 1.683 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[N@@H+](C)CC1(C)C ZINC001303990413 956146883 /nfs/dbraw/zinc/14/68/83/956146883.db2.gz XUIYXLFGYJPLNO-ZDUSSCGKSA-N 1 0 291.351 1.973 20 5 CDBDRO Cc1n[nH]cc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001308247765 956500020 /nfs/dbraw/zinc/50/00/20/956500020.db2.gz ZVQYQJPXHCEKGB-UHFFFAOYSA-N 1 0 276.296 1.795 20 5 CDBDRO CC[C@H](O)C[NH2+]CCNc1ccccc1[N+](=O)[O-] ZINC001335384219 959759886 /nfs/dbraw/zinc/75/98/86/959759886.db2.gz LMVZPVCRLFPWPI-JTQLQIEISA-N 1 0 253.302 1.367 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001337483345 961226079 /nfs/dbraw/zinc/22/60/79/961226079.db2.gz YWYNUPPKXIYINA-ZDUSSCGKSA-N 1 0 277.324 1.809 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC001347500631 965559643 /nfs/dbraw/zinc/55/96/43/965559643.db2.gz COCKEFAWGBTZJX-NSHDSACASA-N 1 0 295.314 1.948 20 5 CDBDRO Cc1cc(NC(=O)C2(N(C)C)CC2)cc([N+](=O)[O-])c1 ZINC001351115258 966860393 /nfs/dbraw/zinc/86/03/93/966860393.db2.gz CCMBMWMQCYNVQN-UHFFFAOYSA-N 1 0 263.297 1.936 20 5 CDBDRO CC(C)(C[NH3+])CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001357274750 969562763 /nfs/dbraw/zinc/56/27/63/969562763.db2.gz WWRXTUGNNBAUIZ-UHFFFAOYSA-N 1 0 277.324 1.859 20 5 CDBDRO C[N@@H+]1CC[C@]2(CCN(c3cc(N)c([N+](=O)[O-])cn3)C2)C1 ZINC001515768689 969915886 /nfs/dbraw/zinc/91/58/86/969915886.db2.gz OJSBZOPUCJWMTD-ZDUSSCGKSA-N 1 0 277.328 1.104 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000320672859 341993823 /nfs/dbraw/zinc/99/38/23/341993823.db2.gz JVKYQRAQTUXCTL-NXEZZACHSA-N 1 0 265.313 1.759 20 5 CDBDRO Cc1c(CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000564935342 365551077 /nfs/dbraw/zinc/55/10/77/365551077.db2.gz ZVGHAVUQEDWJQY-ZJUUUORDSA-N 1 0 294.355 1.828 20 5 CDBDRO Cc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000382435509 361744632 /nfs/dbraw/zinc/74/46/32/361744632.db2.gz VLRAFQNEKTZPJR-NXEZZACHSA-N 1 0 250.302 1.980 20 5 CDBDRO CCC1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000233046207 342035888 /nfs/dbraw/zinc/03/58/88/342035888.db2.gz VRAXIOTWWXGLDC-ZDUSSCGKSA-N 1 0 296.371 1.712 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@](C)(C[NH3+])C2CC2)c1 ZINC000133720091 342069341 /nfs/dbraw/zinc/06/93/41/342069341.db2.gz OYCVIVMXYMBFFK-CQSZACIVSA-N 1 0 277.324 1.760 20 5 CDBDRO [NH3+][C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000135569416 342070648 /nfs/dbraw/zinc/07/06/48/342070648.db2.gz QNTVCXMGCZPBRD-SNVBAGLBSA-N 1 0 267.260 1.201 20 5 CDBDRO Cc1n[nH]c(C(=O)N2CCCC[C@@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC000609175380 342092958 /nfs/dbraw/zinc/09/29/58/342092958.db2.gz SCQOYHJQYHDMEP-SNVBAGLBSA-N 1 0 295.343 1.183 20 5 CDBDRO C[NH+](C)C[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1F ZINC000591149521 342618624 /nfs/dbraw/zinc/61/86/24/342618624.db2.gz BEUFYRDTNMBIHQ-SECBINFHSA-N 1 0 268.292 1.659 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[NH3+] ZINC000591307972 342624860 /nfs/dbraw/zinc/62/48/60/342624860.db2.gz SBJQOYWXAQXSGE-MRVPVSSYSA-N 1 0 266.301 1.626 20 5 CDBDRO [NH3+]CCCCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000591360073 342628173 /nfs/dbraw/zinc/62/81/73/342628173.db2.gz FBQABZKZKFPGGV-UHFFFAOYSA-N 1 0 292.339 1.401 20 5 CDBDRO CNC(=O)c1ccc(N2CC[C@@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000251928684 290628247 /nfs/dbraw/zinc/62/82/47/290628247.db2.gz YNZFWLYZTRUPMB-MWLCHTKSSA-N 1 0 292.339 1.128 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c(F)c1 ZINC000591440778 342632259 /nfs/dbraw/zinc/63/22/59/342632259.db2.gz XPPJJHLQIZJXGV-KWQFWETISA-N 1 0 266.276 1.317 20 5 CDBDRO CC(C)[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000592241757 342680764 /nfs/dbraw/zinc/68/07/64/342680764.db2.gz HBENVKKAKFCVGL-SNVBAGLBSA-N 1 0 283.353 1.726 20 5 CDBDRO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000125399184 187183143 /nfs/dbraw/zinc/18/31/43/187183143.db2.gz RBXOEBBXCUBNNH-UHFFFAOYSA-N 1 0 277.324 1.348 20 5 CDBDRO O=[N+]([O-])c1cccc(Cc2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000592357191 342688310 /nfs/dbraw/zinc/68/83/10/342688310.db2.gz TVWAGWUFHVJASF-LLVKDONJSA-N 1 0 274.280 1.993 20 5 CDBDRO COC(=O)c1ccc(OCC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000592163956 342671049 /nfs/dbraw/zinc/67/10/49/342671049.db2.gz JORUTLWPKYAEQQ-JTQLQIEISA-N 1 0 294.307 1.760 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cccc([N+](=O)[O-])c1 ZINC000592434801 342692199 /nfs/dbraw/zinc/69/21/99/342692199.db2.gz QAGSALCFHAXZPD-AAEUAGOBSA-N 1 0 267.304 1.727 20 5 CDBDRO C[C@H](O)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592429627 342695137 /nfs/dbraw/zinc/69/51/37/342695137.db2.gz KIEURVPLCCTIBY-JTQLQIEISA-N 1 0 281.312 1.284 20 5 CDBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CC[N@H+](C)C1 ZINC000592830950 342741430 /nfs/dbraw/zinc/74/14/30/342741430.db2.gz JCNANGNTJCJVHZ-JTQLQIEISA-N 1 0 281.312 1.744 20 5 CDBDRO COc1cc(C[NH2+][C@@H](CO)CCF)c([N+](=O)[O-])cc1O ZINC000593690455 342823289 /nfs/dbraw/zinc/82/32/89/342823289.db2.gz YVDZJELBYDQYMH-SECBINFHSA-N 1 0 288.275 1.119 20 5 CDBDRO C[C@@H](CCO)[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000593694411 342824092 /nfs/dbraw/zinc/82/40/92/342824092.db2.gz MCGQEJDRGRXFQL-JTQLQIEISA-N 1 0 296.323 1.569 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCCCC[C@H]2CO)c1 ZINC000594016813 342865986 /nfs/dbraw/zinc/86/59/86/342865986.db2.gz IXCXSSCCPCIDTF-NSHDSACASA-N 1 0 268.317 1.028 20 5 CDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1COCCN1 ZINC000600677945 342241927 /nfs/dbraw/zinc/24/19/27/342241927.db2.gz LSWAARQDTXZDSX-JSGCOSHPSA-N 1 0 293.367 1.494 20 5 CDBDRO Cc1cnc(N[C@H]2CC[C@H](C)[NH2+]C2)c([N+](=O)[O-])c1 ZINC000600955628 342257937 /nfs/dbraw/zinc/25/79/37/342257937.db2.gz OYODBUXNJANRCW-UWVGGRQHSA-N 1 0 250.302 1.851 20 5 CDBDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000352798876 539114003 /nfs/dbraw/zinc/11/40/03/539114003.db2.gz DTJBZJREJKCYPG-KWQFWETISA-N 1 0 295.364 1.535 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1CC[NH2+][C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000092953394 342270457 /nfs/dbraw/zinc/27/04/57/342270457.db2.gz VCYFTRVWTKFBAW-OUJBWJOFSA-N 1 0 277.324 1.770 20 5 CDBDRO [NH3+][C@H](c1cn(-c2ccc([N+](=O)[O-])cc2)nn1)[C@H]1CCCO1 ZINC000594639755 342938857 /nfs/dbraw/zinc/93/88/57/342938857.db2.gz AKSRSEYULSUPMK-CHWSQXEVSA-N 1 0 289.295 1.354 20 5 CDBDRO [NH3+][C@@H](c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@@H]1CCCO1 ZINC000594640785 342939211 /nfs/dbraw/zinc/93/92/11/342939211.db2.gz MZEKNADIFJUDIS-STQMWFEESA-N 1 0 289.295 1.354 20 5 CDBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1(CO)CC1 ZINC000594964878 342990575 /nfs/dbraw/zinc/99/05/75/342990575.db2.gz BVVPXCJEIBKRSE-SNVBAGLBSA-N 1 0 250.298 1.845 20 5 CDBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1(CO)CC1 ZINC000594964877 342990691 /nfs/dbraw/zinc/99/06/91/342990691.db2.gz BVVPXCJEIBKRSE-JTQLQIEISA-N 1 0 250.298 1.845 20 5 CDBDRO COc1ccc(C[NH2+][C@@H](C)C2(CO)CC2)cc1[N+](=O)[O-] ZINC000594969869 342991931 /nfs/dbraw/zinc/99/19/31/342991931.db2.gz RMDFLYVNZLOHIE-JTQLQIEISA-N 1 0 280.324 1.854 20 5 CDBDRO COc1ccc(C[NH2+][C@H](C)C2(CO)CC2)cc1[N+](=O)[O-] ZINC000594969870 342992064 /nfs/dbraw/zinc/99/20/64/342992064.db2.gz RMDFLYVNZLOHIE-SNVBAGLBSA-N 1 0 280.324 1.854 20 5 CDBDRO Cc1ccncc1[C@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000611940335 346911121 /nfs/dbraw/zinc/91/11/21/346911121.db2.gz XTXHVRPXSHOAEP-NSHDSACASA-N 1 0 275.312 1.846 20 5 CDBDRO C[C@@H](Cn1cncn1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000595020158 342995808 /nfs/dbraw/zinc/99/58/08/342995808.db2.gz UXTSXLINBLGJEO-NSHDSACASA-N 1 0 291.311 1.243 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000075061350 342307467 /nfs/dbraw/zinc/30/74/67/342307467.db2.gz FXAWAHDZFKXBGA-NEPJUHHUSA-N 1 0 276.340 1.971 20 5 CDBDRO [NH3+][C@H]1C[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000404523798 349774705 /nfs/dbraw/zinc/77/47/05/349774705.db2.gz RLIDKCGKUNDIFE-RYUDHWBXSA-N 1 0 290.323 1.986 20 5 CDBDRO Cc1noc(C[NH2+][C@H](CCO)C(C)C)c1[N+](=O)[O-] ZINC000595430378 343058412 /nfs/dbraw/zinc/05/84/12/343058412.db2.gz JNBZXXJZMOYERF-SECBINFHSA-N 1 0 257.290 1.388 20 5 CDBDRO Cc1noc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000595396489 343047820 /nfs/dbraw/zinc/04/78/20/343047820.db2.gz VWYGRIVMPXMGSY-QWRGUYRKSA-N 1 0 281.312 1.750 20 5 CDBDRO Cc1noc(C[N@H+]2CCC[C@H]2C[C@H](C)O)c1[N+](=O)[O-] ZINC000595399359 343048787 /nfs/dbraw/zinc/04/87/87/343048787.db2.gz ZOHGPCRRIVFPMH-WPRPVWTQSA-N 1 0 269.301 1.627 20 5 CDBDRO Cc1cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000312107983 362007975 /nfs/dbraw/zinc/00/79/75/362007975.db2.gz KZMTUNXTHSRXMJ-NWDGAFQWSA-N 1 0 261.325 1.949 20 5 CDBDRO Cc1noc(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000595497470 343077716 /nfs/dbraw/zinc/07/77/16/343077716.db2.gz OITRUTALMNJLSK-NEPJUHHUSA-N 1 0 294.355 1.950 20 5 CDBDRO CC[C@H](C)[N@H+](CC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595593190 343095954 /nfs/dbraw/zinc/09/59/54/343095954.db2.gz OOAZGUKTMQJAKO-JQWIXIFHSA-N 1 0 270.333 1.273 20 5 CDBDRO CC(C)Oc1nc(N(C)[C@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000565783327 365721174 /nfs/dbraw/zinc/72/11/74/365721174.db2.gz NPLOIWCXGSCMLP-SECBINFHSA-N 1 0 268.317 1.560 20 5 CDBDRO COC1CC[NH+](CCNc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000080250446 342351215 /nfs/dbraw/zinc/35/12/15/342351215.db2.gz NWFNRSQNAHQUQI-UHFFFAOYSA-N 1 0 294.355 1.821 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000595984965 343211549 /nfs/dbraw/zinc/21/15/49/343211549.db2.gz ZBIKOOOFUDIMEF-LLVKDONJSA-N 1 0 294.355 1.511 20 5 CDBDRO C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]C1 ZINC000595992832 343213415 /nfs/dbraw/zinc/21/34/15/343213415.db2.gz SSYRQGWLTXNPDG-GFCCVEGCSA-N 1 0 283.715 1.730 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000382513752 362129294 /nfs/dbraw/zinc/12/92/94/362129294.db2.gz QFKLMWPBWAUBDV-QWRGUYRKSA-N 1 0 277.324 1.903 20 5 CDBDRO C[NH+](C)CCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596050346 343220929 /nfs/dbraw/zinc/22/09/29/343220929.db2.gz GFECVFWVTCSAAB-UHFFFAOYSA-N 1 0 266.301 1.057 20 5 CDBDRO Cc1c(CNC(=O)[C@H]2[NH2+]CCC2(C)C)cccc1[N+](=O)[O-] ZINC000595953485 343195292 /nfs/dbraw/zinc/19/52/92/343195292.db2.gz JQSYBIAXKWUGKQ-CYBMUJFWSA-N 1 0 291.351 1.908 20 5 CDBDRO O=c1[nH]ccc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000596076859 343226671 /nfs/dbraw/zinc/22/66/71/343226671.db2.gz QTEVZTYUYQSUBV-KOLCDFICSA-N 1 0 278.312 1.734 20 5 CDBDRO C[C@H]1C[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000596157370 343254883 /nfs/dbraw/zinc/25/48/83/343254883.db2.gz YRJZISOZHRMALQ-DTWKUNHWSA-N 1 0 278.312 1.733 20 5 CDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000081362899 342367440 /nfs/dbraw/zinc/36/74/40/342367440.db2.gz HDGJFUIGNNIGJH-NSHDSACASA-N 1 0 295.339 1.992 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC[C@H]21 ZINC000596170204 343258704 /nfs/dbraw/zinc/25/87/04/343258704.db2.gz XYTXTHKKQFDEOK-GHMZBOCLSA-N 1 0 292.339 1.616 20 5 CDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596231469 343261791 /nfs/dbraw/zinc/26/17/91/343261791.db2.gz JORQUIIQJDEENQ-QWRGUYRKSA-N 1 0 292.339 1.758 20 5 CDBDRO CC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000596270202 343281406 /nfs/dbraw/zinc/28/14/06/343281406.db2.gz WDDDDDWUTWFPLQ-JTQLQIEISA-N 1 0 265.317 1.305 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+](CC3CC3)C2)nc1 ZINC000596569954 343344928 /nfs/dbraw/zinc/34/49/28/343344928.db2.gz DSXXNBJEFLZSOL-CYBMUJFWSA-N 1 0 290.367 1.946 20 5 CDBDRO O=C(NCC12CCC[NH+]1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000619573936 349808295 /nfs/dbraw/zinc/80/82/95/349808295.db2.gz FQRZNCRDCYVMDR-UHFFFAOYSA-N 1 0 289.335 1.953 20 5 CDBDRO C[NH+](C)CC1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000597709430 343606596 /nfs/dbraw/zinc/60/65/96/343606596.db2.gz VJSIMRNBVAKKEZ-UHFFFAOYSA-N 1 0 281.287 1.368 20 5 CDBDRO CC(C)c1ccc(C[NH2+][C@H](C)C(N)=O)cc1[N+](=O)[O-] ZINC000073051770 349855038 /nfs/dbraw/zinc/85/50/38/349855038.db2.gz QURFZTUQHNBNHQ-SECBINFHSA-N 1 0 265.313 1.682 20 5 CDBDRO COC(=O)c1ccnc(NC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000598587021 343835150 /nfs/dbraw/zinc/83/51/50/343835150.db2.gz LUBGRSRJSIUPEF-QMMMGPOBSA-N 1 0 282.300 1.138 20 5 CDBDRO COC(=O)c1ccnc(N[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000598625424 343847697 /nfs/dbraw/zinc/84/76/97/343847697.db2.gz PYLOSDNVCPOLDP-QMMMGPOBSA-N 1 0 282.300 1.138 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)ccc1[N+](=O)[O-] ZINC000598667831 343859265 /nfs/dbraw/zinc/85/92/65/343859265.db2.gz MKKFZRDLMLVQKO-SWLSCSKDSA-N 1 0 289.335 1.857 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[NH2+]C1 ZINC000598915952 343920083 /nfs/dbraw/zinc/92/00/83/343920083.db2.gz RIPKEYGUWHNBBD-ZETCQYMHSA-N 1 0 284.703 1.732 20 5 CDBDRO C[C@]1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCCC[NH2+]1 ZINC000136179532 362315339 /nfs/dbraw/zinc/31/53/39/362315339.db2.gz KNKXUZIGDKBTEE-OAHLLOKOSA-N 1 0 291.351 1.786 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602429157 344422687 /nfs/dbraw/zinc/42/26/87/344422687.db2.gz TYXWWWHUUZJNDY-ZETCQYMHSA-N 1 0 255.249 1.201 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000602596506 344502872 /nfs/dbraw/zinc/50/28/72/344502872.db2.gz PIMXDIWPHKTTQL-NXEZZACHSA-N 1 0 263.297 1.465 20 5 CDBDRO CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602502189 344442805 /nfs/dbraw/zinc/44/28/05/344442805.db2.gz FKWXJTTVGUTKNZ-UHFFFAOYSA-N 1 0 264.329 1.958 20 5 CDBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cn1)c1ccco1 ZINC000273196485 192072107 /nfs/dbraw/zinc/07/21/07/192072107.db2.gz QRKIPCUYOGQGBC-JTQLQIEISA-N 1 0 277.284 1.693 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000602595664 344502260 /nfs/dbraw/zinc/50/22/60/344502260.db2.gz JTZAIHCGHWYODW-NXEZZACHSA-N 1 0 295.364 1.635 20 5 CDBDRO CCO[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1C ZINC000602684082 344530054 /nfs/dbraw/zinc/53/00/54/344530054.db2.gz FNBSWTOMOPDGOB-ZYHUDNBSSA-N 1 0 282.344 1.575 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000602800351 344589807 /nfs/dbraw/zinc/58/98/07/344589807.db2.gz LPPWBYXFSLGVLI-CHWSQXEVSA-N 1 0 294.355 1.458 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000602805299 344593211 /nfs/dbraw/zinc/59/32/11/344593211.db2.gz OJBUMWJYAQGKJG-UONOGXRCSA-N 1 0 294.355 1.647 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1cccc(C)n1 ZINC000602795560 344586510 /nfs/dbraw/zinc/58/65/10/344586510.db2.gz TVJGAUCYNAXFPO-UHFFFAOYSA-N 1 0 289.339 1.935 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCC1CCOCC1 ZINC000602787781 344599920 /nfs/dbraw/zinc/59/99/20/344599920.db2.gz JTBDKNREEONJJW-UHFFFAOYSA-N 1 0 296.371 1.848 20 5 CDBDRO COCC[C@@H](CO)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000603436467 344808766 /nfs/dbraw/zinc/80/87/66/344808766.db2.gz YVFLGNPPJZENJB-BCNIOPEESA-N 1 0 294.351 1.985 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)cc1 ZINC000344359454 362572856 /nfs/dbraw/zinc/57/28/56/362572856.db2.gz POYSMRZBHCSLEK-ZDUSSCGKSA-N 1 0 298.364 1.652 20 5 CDBDRO C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1C ZINC000293491993 362566245 /nfs/dbraw/zinc/56/62/45/362566245.db2.gz SUKGVWUBWSWTSP-BETUJISGSA-N 1 0 293.367 1.998 20 5 CDBDRO C[C@]1(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000230734571 345442157 /nfs/dbraw/zinc/44/21/57/345442157.db2.gz GLASTDOAGODDHE-LBPRGKRZSA-N 1 0 264.285 1.468 20 5 CDBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCC(O)CC2)cc1 ZINC000140196561 345576383 /nfs/dbraw/zinc/57/63/83/345576383.db2.gz CTCKEDCWBQDUQA-UHFFFAOYSA-N 1 0 265.313 1.463 20 5 CDBDRO C[C@@H](C(=O)NCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000617690000 345913223 /nfs/dbraw/zinc/91/32/23/345913223.db2.gz FXLVYAZLJCEBIX-GFCCVEGCSA-N 1 0 291.351 1.910 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC(C2CC2)C2CC2)c1 ZINC000088457865 346063071 /nfs/dbraw/zinc/06/30/71/346063071.db2.gz HVCILDMBZQVMGR-ZDUSSCGKSA-N 1 0 294.355 1.178 20 5 CDBDRO C[C@@](CO)([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000610447862 346283839 /nfs/dbraw/zinc/28/38/39/346283839.db2.gz KUSLJYOZZMAZTF-AWEZNQCLSA-N 1 0 290.323 1.289 20 5 CDBDRO CC[N@@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611091914 346604910 /nfs/dbraw/zinc/60/49/10/346604910.db2.gz COJCQJBOACNXGQ-ZDUSSCGKSA-N 1 0 293.367 2.000 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(c2ncccc2[N+](=O)[O-])C[C@H]1C ZINC000611222044 346696594 /nfs/dbraw/zinc/69/65/94/346696594.db2.gz PWKFTLDEXJTQJU-MNOVXSKESA-N 1 0 264.329 1.909 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000089305009 346755602 /nfs/dbraw/zinc/75/56/02/346755602.db2.gz ATGWORVANMFCPR-AWEZNQCLSA-N 1 0 291.351 1.738 20 5 CDBDRO CC[C@H](CO)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293632774 362789452 /nfs/dbraw/zinc/78/94/52/362789452.db2.gz HQMKUTJDGCHDIJ-PSASIEDQSA-N 1 0 253.302 1.599 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(c2ncc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000612792252 347281367 /nfs/dbraw/zinc/28/13/67/347281367.db2.gz GBKKBMQOUQCICR-UWVGGRQHSA-N 1 0 265.317 1.304 20 5 CDBDRO O=C(CC[N@H+]1CC[C@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128516488 187375038 /nfs/dbraw/zinc/37/50/38/187375038.db2.gz MJQGRDHOXUCJSB-JTQLQIEISA-N 1 0 297.286 1.129 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000066124540 347477851 /nfs/dbraw/zinc/47/78/51/347477851.db2.gz DGFQEQPBIGCCBS-NSHDSACASA-N 1 0 297.359 1.028 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000066958793 347547272 /nfs/dbraw/zinc/54/72/72/347547272.db2.gz LMEXOBOJRAHVPE-UHFFFAOYSA-N 1 0 297.380 1.998 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000086467272 179297006 /nfs/dbraw/zinc/29/70/06/179297006.db2.gz SAHGLKALOOKZTP-WDEREUQCSA-N 1 0 277.324 1.726 20 5 CDBDRO COc1ccc(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000086467869 179298568 /nfs/dbraw/zinc/29/85/68/179298568.db2.gz PQSMLUVVHGSMFN-UWVGGRQHSA-N 1 0 293.323 1.426 20 5 CDBDRO CCN(c1ncc([N+](=O)[O-])cc1C)[C@H]1CCC[NH2+]C1 ZINC000104327511 185970402 /nfs/dbraw/zinc/97/04/02/185970402.db2.gz ZSIAEEYONLUUDX-NSHDSACASA-N 1 0 264.329 1.877 20 5 CDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000109626581 186268460 /nfs/dbraw/zinc/26/84/60/186268460.db2.gz BQFPKHBYJUJPEG-VIFPVBQESA-N 1 0 295.343 1.047 20 5 CDBDRO Cc1ccc(C(=O)NCC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000110794530 186325614 /nfs/dbraw/zinc/32/56/14/186325614.db2.gz IZIYSWAFKDWABO-LLVKDONJSA-N 1 0 277.324 1.633 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000051887729 362987359 /nfs/dbraw/zinc/98/73/59/362987359.db2.gz FQWIJFHOOIHCCF-SNVBAGLBSA-N 1 0 266.297 1.418 20 5 CDBDRO COc1cc(CNC[C@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1O ZINC000291664713 198056524 /nfs/dbraw/zinc/05/65/24/198056524.db2.gz FMUUWIFFEABQIH-JTQLQIEISA-N 1 0 297.355 1.596 20 5 CDBDRO C[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000454355860 252344343 /nfs/dbraw/zinc/34/43/43/252344343.db2.gz GAZLYZGMONQWFA-NSHDSACASA-N 1 0 294.355 1.387 20 5 CDBDRO COc1ccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000136483138 363110459 /nfs/dbraw/zinc/11/04/59/363110459.db2.gz VIYHVGVGOLWMQD-MWLCHTKSSA-N 1 0 293.323 1.917 20 5 CDBDRO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)CO ZINC000292229434 198210036 /nfs/dbraw/zinc/21/00/36/198210036.db2.gz PLMITYXUUKURKA-SNVBAGLBSA-N 1 0 268.313 1.806 20 5 CDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000152413861 188016798 /nfs/dbraw/zinc/01/67/98/188016798.db2.gz HPHULVDBJNLFQH-ZJUUUORDSA-N 1 0 293.327 1.017 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000269232591 535212846 /nfs/dbraw/zinc/21/28/46/535212846.db2.gz AUPUDKILQJTHHE-LBPRGKRZSA-N 1 0 281.312 1.073 20 5 CDBDRO COc1cc(C(=O)NCC[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000156704415 188277401 /nfs/dbraw/zinc/27/74/01/188277401.db2.gz VBDYHNKIAAPRLZ-JTQLQIEISA-N 1 0 293.323 1.333 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)C1CC([NH3+])C1 ZINC000384859443 366150616 /nfs/dbraw/zinc/15/06/16/366150616.db2.gz MOBDIUUCKFGULK-UHFFFAOYSA-N 1 0 299.352 1.013 20 5 CDBDRO C[C@]1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCCC[NH2+]1 ZINC000272990617 192011260 /nfs/dbraw/zinc/01/12/60/192011260.db2.gz QDIYXOYZNAWTFA-OAHLLOKOSA-N 1 0 291.351 1.786 20 5 CDBDRO CC[N@H+](C)CCNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000358592582 356309501 /nfs/dbraw/zinc/30/95/01/356309501.db2.gz HWZIZPIKNMZMRS-UHFFFAOYSA-N 1 0 294.355 1.654 20 5 CDBDRO CC[C@H]([NH3+])c1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000229939097 356321031 /nfs/dbraw/zinc/32/10/31/356321031.db2.gz VWGCDMUQQKOIKE-LBPRGKRZSA-N 1 0 275.312 1.839 20 5 CDBDRO C[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000235639723 140236464 /nfs/dbraw/zinc/23/64/64/140236464.db2.gz NDQQHVLTWFUCJO-CBAPKCEASA-N 1 0 283.715 1.667 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000336942778 356949543 /nfs/dbraw/zinc/94/95/43/356949543.db2.gz ZOAWOMACKMJIFJ-JGVFFNPUSA-N 1 0 256.331 1.946 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000097935883 356956360 /nfs/dbraw/zinc/95/63/60/356956360.db2.gz MUKGEHMLVWMBQU-UHFFFAOYSA-N 1 0 292.339 1.391 20 5 CDBDRO Cc1nn(C)c(NCC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000097934249 356956716 /nfs/dbraw/zinc/95/67/16/356956716.db2.gz IFFAQKYWMNKUAW-UHFFFAOYSA-N 1 0 267.333 1.533 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH+](C)C)c1 ZINC000293932025 198832866 /nfs/dbraw/zinc/83/28/66/198832866.db2.gz UEMOCZKUBQZWCX-JTQLQIEISA-N 1 0 295.339 1.531 20 5 CDBDRO [NH3+]CCCCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000181026239 357304689 /nfs/dbraw/zinc/30/46/89/357304689.db2.gz SRGMUPVYEJGKDG-UHFFFAOYSA-N 1 0 265.313 1.383 20 5 CDBDRO COC(=O)N1CC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000181464955 357349475 /nfs/dbraw/zinc/34/94/75/357349475.db2.gz AYJPEDDOEOROSA-VIFPVBQESA-N 1 0 279.296 1.696 20 5 CDBDRO O=C1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000566343501 357471088 /nfs/dbraw/zinc/47/10/88/357471088.db2.gz MOQUMKGWUOLONO-GFCCVEGCSA-N 1 0 289.335 1.695 20 5 CDBDRO CCC[C@@H]([NH3+])C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000236946706 357474283 /nfs/dbraw/zinc/47/42/83/357474283.db2.gz VXLBYHBCRIYCJP-SNVBAGLBSA-N 1 0 280.328 1.250 20 5 CDBDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000185776026 357575580 /nfs/dbraw/zinc/57/55/80/357575580.db2.gz MUMOARYNIWYARX-SNVBAGLBSA-N 1 0 299.352 1.977 20 5 CDBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000185676215 357566028 /nfs/dbraw/zinc/56/60/28/357566028.db2.gz JQRLGMKOEUQBHK-ZYHUDNBSSA-N 1 0 252.318 1.912 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135217012 357782858 /nfs/dbraw/zinc/78/28/58/357782858.db2.gz BODWAQNTGRFRKR-BXUZGUMPSA-N 1 0 291.351 1.866 20 5 CDBDRO CC(C)([NH3+])CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000084168806 357862273 /nfs/dbraw/zinc/86/22/73/357862273.db2.gz VNRLHNHVRUMFSU-UHFFFAOYSA-N 1 0 251.286 1.338 20 5 CDBDRO C[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000033300014 358179083 /nfs/dbraw/zinc/17/90/83/358179083.db2.gz JGDZLXJNCQPGMT-XQRVVYSFSA-N 1 0 261.325 1.855 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000287222868 358271584 /nfs/dbraw/zinc/27/15/84/358271584.db2.gz OUSSKDGUNKKJIT-VIFPVBQESA-N 1 0 281.312 1.283 20 5 CDBDRO COC(=O)COC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000295434762 358524188 /nfs/dbraw/zinc/52/41/88/358524188.db2.gz OXTIQJRZMVXENV-SNVBAGLBSA-N 1 0 282.296 1.263 20 5 CDBDRO C[C@@H](NC(=O)C1([NH3+])CCC1)c1cccc([N+](=O)[O-])c1 ZINC000147806877 358754760 /nfs/dbraw/zinc/75/47/60/358754760.db2.gz IWVUGYMRENNILX-SECBINFHSA-N 1 0 263.297 1.653 20 5 CDBDRO CC[NH2+]CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000236894818 358754888 /nfs/dbraw/zinc/75/48/88/358754888.db2.gz QZMPWATWGVEOMI-UHFFFAOYSA-N 1 0 294.355 1.513 20 5 CDBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000070149017 358915957 /nfs/dbraw/zinc/91/59/57/358915957.db2.gz WXSXANOFYBKDTC-NSHDSACASA-N 1 0 277.324 1.938 20 5 CDBDRO CC(C)[C@@H](CO)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000342233378 358972633 /nfs/dbraw/zinc/97/26/33/358972633.db2.gz SJZNIPZCBMAPLF-GFCCVEGCSA-N 1 0 252.314 1.949 20 5 CDBDRO Cc1c(C(=O)N[C@H](C)[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000381339662 359038678 /nfs/dbraw/zinc/03/86/78/359038678.db2.gz DVQSDLNGIZOKNX-DTWKUNHWSA-N 1 0 251.286 1.369 20 5 CDBDRO COCC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(C)(C)C ZINC000338349315 359121216 /nfs/dbraw/zinc/12/12/16/359121216.db2.gz BWSFNOSQOKRHTM-LLVKDONJSA-N 1 0 284.360 1.869 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[C@H](O)C2)c(F)c1 ZINC000336808362 359178469 /nfs/dbraw/zinc/17/84/69/359178469.db2.gz BROFZHQCBWSCOH-CABZTGNLSA-N 1 0 268.288 1.985 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(N)=O)cc1[N+](=O)[O-] ZINC000035792706 359241190 /nfs/dbraw/zinc/24/11/90/359241190.db2.gz ZKUFQGKVEBSZSL-DTWKUNHWSA-N 1 0 251.286 1.428 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@]1(O)CCOC1 ZINC000339054036 359278370 /nfs/dbraw/zinc/27/83/70/359278370.db2.gz HRQKPZAIOYPALK-MFBWXBCUSA-N 1 0 278.308 1.349 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000050394696 359440336 /nfs/dbraw/zinc/44/03/36/359440336.db2.gz OAZBVFZZZHWIAL-PWSUYJOCSA-N 1 0 277.324 1.832 20 5 CDBDRO C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173389795 237337685 /nfs/dbraw/zinc/33/76/85/237337685.db2.gz JZDVVIZPOOXGIL-STQMWFEESA-N 1 0 293.367 1.966 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000389762306 359912363 /nfs/dbraw/zinc/91/23/63/359912363.db2.gz YRYPDVOVZSSUKB-SCZZXKLOSA-N 1 0 297.742 1.976 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000135882952 360138196 /nfs/dbraw/zinc/13/81/96/360138196.db2.gz QARMGCYRKPACSB-GHMZBOCLSA-N 1 0 277.324 1.713 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177088635 189027874 /nfs/dbraw/zinc/02/78/74/189027874.db2.gz ZVICZJFWFCPEDX-ZYHUDNBSSA-N 1 0 289.335 1.950 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177088618 189027949 /nfs/dbraw/zinc/02/79/49/189027949.db2.gz ZVICZJFWFCPEDX-JQWIXIFHSA-N 1 0 289.335 1.950 20 5 CDBDRO CC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000350625393 360520680 /nfs/dbraw/zinc/52/06/80/360520680.db2.gz HEDQKJBXZJGTBH-UHFFFAOYSA-N 1 0 295.314 1.834 20 5 CDBDRO CCCC[N@H+](C)CCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000112333603 360523183 /nfs/dbraw/zinc/52/31/83/360523183.db2.gz AMRVSFGOYWCVND-UHFFFAOYSA-N 1 0 294.355 1.838 20 5 CDBDRO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCCOC1 ZINC000348150322 360525225 /nfs/dbraw/zinc/52/52/25/360525225.db2.gz XWDBCMMKRABMFE-UWVGGRQHSA-N 1 0 268.317 1.233 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)C[NH3+] ZINC000179186682 189175552 /nfs/dbraw/zinc/17/55/52/189175552.db2.gz GXAQCVKWUPGRGW-SECBINFHSA-N 1 0 251.286 1.322 20 5 CDBDRO C[C@H]([NH2+]CCCC(=O)NC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000180395292 189253366 /nfs/dbraw/zinc/25/33/66/189253366.db2.gz FWAFCPSJVOEWLW-VIFPVBQESA-N 1 0 294.311 1.221 20 5 CDBDRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000262633997 283639646 /nfs/dbraw/zinc/63/96/46/283639646.db2.gz LXKJGYFIHVHGSB-ZJUUUORDSA-N 1 0 275.308 1.611 20 5 CDBDRO C[NH2+]CCCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000121171993 361268297 /nfs/dbraw/zinc/26/82/97/361268297.db2.gz AORIVRIUAZCRSZ-UHFFFAOYSA-N 1 0 292.339 1.508 20 5 CDBDRO COC[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000172882442 363841648 /nfs/dbraw/zinc/84/16/48/363841648.db2.gz YDFFDPVKKGLUHF-GFCCVEGCSA-N 1 0 296.323 1.321 20 5 CDBDRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000168146075 363878436 /nfs/dbraw/zinc/87/84/36/363878436.db2.gz BOPLBZCBOOGQTN-XYZCENFISA-N 1 0 256.327 1.451 20 5 CDBDRO CCC[N@H+](CC)CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000174641356 364251083 /nfs/dbraw/zinc/25/10/83/364251083.db2.gz PWJIHLOIMYIGIQ-UHFFFAOYSA-N 1 0 294.355 1.639 20 5 CDBDRO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000351813698 365001965 /nfs/dbraw/zinc/00/19/65/365001965.db2.gz HYOOUMFKVZYADL-ZWNOBZJWSA-N 1 0 266.297 1.286 20 5 CDBDRO COCCC[N@H+](CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000275392234 193020101 /nfs/dbraw/zinc/02/01/01/193020101.db2.gz CQKWBYPUVGQYRO-UHFFFAOYSA-N 1 0 298.339 1.304 20 5 CDBDRO CN(CC1([NH+](C)C)CCC1)c1c([N+](=O)[O-])ncn1C ZINC000275397560 193021252 /nfs/dbraw/zinc/02/12/52/193021252.db2.gz DNMDAFYGQVSIND-UHFFFAOYSA-N 1 0 267.333 1.249 20 5 CDBDRO C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251697929 366869865 /nfs/dbraw/zinc/86/98/65/366869865.db2.gz IQVHXYWKUPVIHE-VXNVDRBHSA-N 1 0 270.720 1.817 20 5 CDBDRO Cc1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])nn1C ZINC000414359612 241168491 /nfs/dbraw/zinc/16/84/91/241168491.db2.gz OVYXFQORYGDTKX-UHFFFAOYSA-N 1 0 274.324 1.969 20 5 CDBDRO O=[N+]([O-])c1ccc(CNC[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000414828197 367035566 /nfs/dbraw/zinc/03/55/66/367035566.db2.gz LOHAYNIKANXGKM-JTQLQIEISA-N 1 0 267.304 1.823 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@H](C)O ZINC000386957684 367154424 /nfs/dbraw/zinc/15/44/24/367154424.db2.gz YFCOWLVMGDWOTH-IUCAKERBSA-N 1 0 254.286 1.462 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000094340488 367315749 /nfs/dbraw/zinc/31/57/49/367315749.db2.gz IQHNXCQMPIJUAW-ZYHUDNBSSA-N 1 0 277.324 1.713 20 5 CDBDRO CC[C@H](C)C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090548716 367638452 /nfs/dbraw/zinc/63/84/52/367638452.db2.gz OJPITTJICXOQID-NSHDSACASA-N 1 0 267.329 1.734 20 5 CDBDRO C[C@@H](NC(=O)NCC[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417148012 242336443 /nfs/dbraw/zinc/33/64/43/242336443.db2.gz ZZVOFXISHFIWCP-VHSXEESVSA-N 1 0 280.328 1.692 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000272303245 367676224 /nfs/dbraw/zinc/67/62/24/367676224.db2.gz QVXPVGSIVGQQFB-VHSXEESVSA-N 1 0 292.339 1.295 20 5 CDBDRO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC(N)=O ZINC000348838491 368069173 /nfs/dbraw/zinc/06/91/73/368069173.db2.gz PMPCWAZITCJGJL-XQRVVYSFSA-N 1 0 263.297 1.415 20 5 CDBDRO CCC[NH2+]CCNCc1ccc([N+](=O)[O-])cc1F ZINC000414868690 370918987 /nfs/dbraw/zinc/91/89/87/370918987.db2.gz KIHVYHDRGFZUME-UHFFFAOYSA-N 1 0 255.293 1.823 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCSC[C@H]2CCO)cc1 ZINC000330616664 203041863 /nfs/dbraw/zinc/04/18/63/203041863.db2.gz FCCVLIRSBHNDGK-CYBMUJFWSA-N 1 0 282.365 1.895 20 5 CDBDRO COC[C@@]1(CNCc2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000414948053 370945229 /nfs/dbraw/zinc/94/52/29/370945229.db2.gz WPADGZWJTLUNLX-AWEZNQCLSA-N 1 0 279.340 1.453 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000089107520 368976759 /nfs/dbraw/zinc/97/67/59/368976759.db2.gz BSSXGHPKBQWTKB-JOYOIKCWSA-N 1 0 295.314 1.981 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420633509 244299542 /nfs/dbraw/zinc/29/95/42/244299542.db2.gz JIFJOUNSSBGTIM-SNVBAGLBSA-N 1 0 292.339 1.224 20 5 CDBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1cc(F)ccc1[N+](=O)[O-] ZINC000368382565 284164107 /nfs/dbraw/zinc/16/41/07/284164107.db2.gz ZKBUJDMMOQFBCY-LBPRGKRZSA-N 1 0 293.298 1.606 20 5 CDBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000037668561 369785212 /nfs/dbraw/zinc/78/52/12/369785212.db2.gz PJEXFLSTTMBRLU-LLVKDONJSA-N 1 0 277.324 1.695 20 5 CDBDRO C[NH+](C)[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000170865499 369979422 /nfs/dbraw/zinc/97/94/22/369979422.db2.gz OEMRZMHWTPYCIJ-SECBINFHSA-N 1 0 269.326 1.432 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH+](C)C ZINC000421921662 244897017 /nfs/dbraw/zinc/89/70/17/244897017.db2.gz ZJSQKCTXVSIPGP-NSHDSACASA-N 1 0 279.340 1.892 20 5 CDBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000441389033 370274714 /nfs/dbraw/zinc/27/47/14/370274714.db2.gz VPOMGPJJNDZPHG-GFCCVEGCSA-N 1 0 268.317 1.027 20 5 CDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(C)(C)C(N)=O ZINC000295601893 370515517 /nfs/dbraw/zinc/51/55/17/370515517.db2.gz CJSYWQOEGRWFRH-UHFFFAOYSA-N 1 0 285.731 1.944 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000422711555 245168607 /nfs/dbraw/zinc/16/86/07/245168607.db2.gz MVSTVVUOLBWXIM-SECBINFHSA-N 1 0 279.296 1.167 20 5 CDBDRO CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1[C@@H]1CCCO1 ZINC000368073288 371506875 /nfs/dbraw/zinc/50/68/75/371506875.db2.gz KZUAHTBWFLRMDF-AAEUAGOBSA-N 1 0 294.355 1.681 20 5 CDBDRO C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269624429 373192818 /nfs/dbraw/zinc/19/28/18/373192818.db2.gz CGRJCBOOAKEBSG-ZWNOBZJWSA-N 1 0 250.298 1.970 20 5 CDBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000298973179 374280422 /nfs/dbraw/zinc/28/04/22/374280422.db2.gz LLONWZFMSAGBCY-UHFFFAOYSA-N 1 0 294.355 1.916 20 5 CDBDRO COc1cc(CN2CC[C@H](C)[C@@H]2CO)c([N+](=O)[O-])cc1F ZINC000248934099 374235049 /nfs/dbraw/zinc/23/50/49/374235049.db2.gz MXCLTTMCVJPHPG-ZANVPECISA-N 1 0 298.314 1.945 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])[nH]1 ZINC000299002150 374293894 /nfs/dbraw/zinc/29/38/94/374293894.db2.gz JVZNTQJFZYBTDQ-GXSJLCMTSA-N 1 0 278.312 1.280 20 5 CDBDRO C[C@@H]1C[C@@H](CO)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000420952499 374307879 /nfs/dbraw/zinc/30/78/79/374307879.db2.gz XZJKGGLJQJYRMJ-CHWSQXEVSA-N 1 0 294.351 1.924 20 5 CDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000368588238 374319760 /nfs/dbraw/zinc/31/97/60/374319760.db2.gz DFFRFEJGVBLZHP-GXFFZTMASA-N 1 0 290.323 1.156 20 5 CDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000370173115 374381509 /nfs/dbraw/zinc/38/15/09/374381509.db2.gz MNIAZJGHBJGMPP-SKDRFNHKSA-N 1 0 293.298 1.558 20 5 CDBDRO CC[C@@H](NC[C@H]1C[NH2+]CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423480669 374386199 /nfs/dbraw/zinc/38/61/99/374386199.db2.gz PMKACEYROOLHFQ-HUUCEWRRSA-N 1 0 292.383 1.539 20 5 CDBDRO COc1cccc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000423530043 374387673 /nfs/dbraw/zinc/38/76/73/374387673.db2.gz PBGDADHACNCTQQ-VHSXEESVSA-N 1 0 293.323 1.413 20 5 CDBDRO CC[C@@]1(C(=O)NCCc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000378231356 374636215 /nfs/dbraw/zinc/63/62/15/374636215.db2.gz SQJKNWLFPROJAL-OAHLLOKOSA-N 1 0 291.351 1.643 20 5 CDBDRO COCCOC[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296221390 374679783 /nfs/dbraw/zinc/67/97/83/374679783.db2.gz GUJDDVQNBDLYEQ-SMDDNHRTSA-N 1 0 298.339 1.269 20 5 CDBDRO Cc1n[nH]c(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000277098940 374772345 /nfs/dbraw/zinc/77/23/45/374772345.db2.gz CGMTUFLTCXLTFZ-SNVBAGLBSA-N 1 0 295.343 1.183 20 5 CDBDRO CC[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000094774138 374846363 /nfs/dbraw/zinc/84/63/63/374846363.db2.gz NIXLHCHLPQSMTL-UHFFFAOYSA-N 1 0 267.304 1.871 20 5 CDBDRO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000331515840 374968343 /nfs/dbraw/zinc/96/83/43/374968343.db2.gz NLCCTAHOLXSOPQ-GFCCVEGCSA-N 1 0 289.335 1.870 20 5 CDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)C[NH+]1CCCC1 ZINC000332265658 375022566 /nfs/dbraw/zinc/02/25/66/375022566.db2.gz FISMTFHYBGVSCY-LLVKDONJSA-N 1 0 294.355 1.395 20 5 CDBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])CC1(O)CCC1 ZINC000332458385 375031912 /nfs/dbraw/zinc/03/19/12/375031912.db2.gz JEHMZBITHHUXDK-UHFFFAOYSA-N 1 0 250.298 1.942 20 5 CDBDRO CCOC[C@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282529875 375093049 /nfs/dbraw/zinc/09/30/49/375093049.db2.gz UWJGYULBKFNCLC-CQSZACIVSA-N 1 0 282.340 1.467 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N1CC[N@H+](CCO)C(C)(C)C1 ZINC000302503076 375211027 /nfs/dbraw/zinc/21/10/27/375211027.db2.gz DFOIFEZAPHCLGN-UHFFFAOYSA-N 1 0 293.367 1.796 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131654588 375306444 /nfs/dbraw/zinc/30/64/44/375306444.db2.gz NHQXYUCBJCTJLI-WDEREUQCSA-N 1 0 279.340 1.773 20 5 CDBDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000352770725 375537347 /nfs/dbraw/zinc/53/73/47/375537347.db2.gz TZYWLGMZHKWOJX-GXFFZTMASA-N 1 0 280.324 1.806 20 5 CDBDRO C[C@H](O)[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000162819001 375524561 /nfs/dbraw/zinc/52/45/61/375524561.db2.gz WDFTUWXHPPYSTH-AAEUAGOBSA-N 1 0 264.325 1.840 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000132678893 375562181 /nfs/dbraw/zinc/56/21/81/375562181.db2.gz KPCVNTXIQFKNDA-VIFPVBQESA-N 1 0 281.287 1.415 20 5 CDBDRO CC(C)[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000230403941 375578560 /nfs/dbraw/zinc/57/85/60/375578560.db2.gz KKNFYSQGLJBAMN-UHFFFAOYSA-N 1 0 294.355 1.637 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000133314551 375755679 /nfs/dbraw/zinc/75/56/79/375755679.db2.gz AVCAHAHJJZKVIB-SECBINFHSA-N 1 0 270.720 1.831 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000354584680 375727580 /nfs/dbraw/zinc/72/75/80/375727580.db2.gz ZDDFJAYYWYSRDJ-LLVKDONJSA-N 1 0 293.367 1.939 20 5 CDBDRO Cc1nn(C)c(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000133523000 375793988 /nfs/dbraw/zinc/79/39/88/375793988.db2.gz FHMOIKYRYZGUHR-PSASIEDQSA-N 1 0 279.344 1.674 20 5 CDBDRO C[N@@H+]1CC[C@@](O)(CNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000358138504 375952874 /nfs/dbraw/zinc/95/28/74/375952874.db2.gz MZOIXOKNNKYUJP-CYBMUJFWSA-N 1 0 299.758 1.404 20 5 CDBDRO CCCC1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000232967360 375939711 /nfs/dbraw/zinc/93/97/11/375939711.db2.gz RWAGAVKNRGHUNR-GFCCVEGCSA-N 1 0 282.344 1.322 20 5 CDBDRO C[C@H]([NH2+]C[C@@H](O)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000358048706 375948752 /nfs/dbraw/zinc/94/87/52/375948752.db2.gz PWRMEUWVYSHYHR-VHRBIJSZSA-N 1 0 280.324 1.643 20 5 CDBDRO C[C@H]([NH2+]C[C@H](O)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000358048704 375949000 /nfs/dbraw/zinc/94/90/00/375949000.db2.gz PWRMEUWVYSHYHR-JKOKRWQUSA-N 1 0 280.324 1.643 20 5 CDBDRO CCC[NH2+][C@H](C)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000296463525 376161565 /nfs/dbraw/zinc/16/15/65/376161565.db2.gz OWFHDKWOKSTZNE-SNVBAGLBSA-N 1 0 295.339 1.608 20 5 CDBDRO COc1cc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)ccn1 ZINC000347537310 376365701 /nfs/dbraw/zinc/36/57/01/376365701.db2.gz JXFUNMCEDDEJBY-JTQLQIEISA-N 1 0 291.311 1.546 20 5 CDBDRO O=C1CCC[C@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])N1 ZINC000433189853 248005474 /nfs/dbraw/zinc/00/54/74/248005474.db2.gz DZEMHLSFRZVQAM-DIECRNLCSA-N 1 0 289.335 1.866 20 5 CDBDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000067419366 377063202 /nfs/dbraw/zinc/06/32/02/377063202.db2.gz ZTUCQNGWWDJOKP-CYBMUJFWSA-N 1 0 291.351 1.943 20 5 CDBDRO C[C@@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000171925477 377172852 /nfs/dbraw/zinc/17/28/52/377172852.db2.gz YIBLVZIHIXDDNF-LLVKDONJSA-N 1 0 265.313 1.098 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc([N+](=O)[O-])c1 ZINC000189312767 377228687 /nfs/dbraw/zinc/22/86/87/377228687.db2.gz GANFRRPXCABOPC-MFKMUULPSA-N 1 0 277.324 1.774 20 5 CDBDRO Cc1cccc(NCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000218830586 377319702 /nfs/dbraw/zinc/31/97/02/377319702.db2.gz ZBFSCSGBSAYGEJ-UHFFFAOYSA-N 1 0 278.356 1.563 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CC[N@@H+]1C ZINC000357405706 377343287 /nfs/dbraw/zinc/34/32/87/377343287.db2.gz BQBTYOGGTUSEQK-ZJUUUORDSA-N 1 0 280.328 1.146 20 5 CDBDRO C[NH+](C)Cc1cccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000547754623 377819538 /nfs/dbraw/zinc/81/95/38/377819538.db2.gz HEDOEBSTQHKYSX-UHFFFAOYSA-N 1 0 289.295 1.632 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(NCC[N@H+]3CC=CCC3)c21 ZINC000357666602 378742138 /nfs/dbraw/zinc/74/21/38/378742138.db2.gz ZAXCANIRAKKQTL-UHFFFAOYSA-N 1 0 299.334 1.634 20 5 CDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)[NH+](C)C ZINC000443435793 250029783 /nfs/dbraw/zinc/02/97/83/250029783.db2.gz HKRKIKRSTRRBIK-SECBINFHSA-N 1 0 280.328 1.316 20 5 CDBDRO COC[C@H](O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278677846 194099694 /nfs/dbraw/zinc/09/96/94/194099694.db2.gz JOXVQTYBTLRREN-OCCSQVGLSA-N 1 0 280.324 1.569 20 5 CDBDRO COc1cc(C[NH2+]CCC[C@H](C)O)c([N+](=O)[O-])cc1OC ZINC000278759534 194141466 /nfs/dbraw/zinc/14/14/66/194141466.db2.gz XDWCSSSRKYIKIK-JTQLQIEISA-N 1 0 298.339 1.863 20 5 CDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000446395022 250289762 /nfs/dbraw/zinc/28/97/62/250289762.db2.gz BAINDHAXWDBFCK-TXEJJXNPSA-N 1 0 293.298 1.700 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1CC[NH+](C)CC1 ZINC000173898473 379336960 /nfs/dbraw/zinc/33/69/60/379336960.db2.gz RFAVTZHSPARWAV-UHFFFAOYSA-N 1 0 291.351 1.895 20 5 CDBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000278980472 194240200 /nfs/dbraw/zinc/24/02/00/194240200.db2.gz CTAYMDVAEYOVIA-UHFFFAOYSA-N 1 0 292.339 1.527 20 5 CDBDRO Cc1c(NC(=O)C[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000042167183 379549668 /nfs/dbraw/zinc/54/96/68/379549668.db2.gz UCHSJPPYDAAYOW-JTQLQIEISA-N 1 0 263.297 1.984 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279338138 194390736 /nfs/dbraw/zinc/39/07/36/194390736.db2.gz DGHXSQSOSLCUMD-QMMMGPOBSA-N 1 0 298.318 1.386 20 5 CDBDRO CCCC[N@H+](C)CCNc1ncc([N+](=O)[O-])c(C)n1 ZINC000450334184 251227923 /nfs/dbraw/zinc/22/79/23/251227923.db2.gz ZBFIPISUBPWNJF-UHFFFAOYSA-N 1 0 267.333 1.259 20 5 CDBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CO)COC)cc1[N+](=O)[O-] ZINC000280867555 195008031 /nfs/dbraw/zinc/00/80/31/195008031.db2.gz CQUJWJRVSRCENO-CMPLNLGQSA-N 1 0 298.339 1.651 20 5 CDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)/C=C\C[NH+](C)C ZINC000492868342 253314036 /nfs/dbraw/zinc/31/40/36/253314036.db2.gz YJXLCNJALYUUNO-YVMONPNESA-N 1 0 291.351 1.714 20 5 CDBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1COC[C@H]1O ZINC000289271905 197280500 /nfs/dbraw/zinc/28/05/00/197280500.db2.gz GKLBVUOIGOOYSD-IOKDEZFASA-N 1 0 278.308 1.300 20 5 CDBDRO CC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000281402579 195225994 /nfs/dbraw/zinc/22/59/94/195225994.db2.gz NQKTWJMXHPWFDD-GFCCVEGCSA-N 1 0 268.317 1.292 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c1[N+](=O)[O-] ZINC000094340224 184784099 /nfs/dbraw/zinc/78/40/99/184784099.db2.gz BKJFCDLMGKNEDF-ZYHUDNBSSA-N 1 0 277.324 1.713 20 5 CDBDRO Cc1ccnc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000286103209 390191034 /nfs/dbraw/zinc/19/10/34/390191034.db2.gz MSEBBYWJEBBTMO-LLVKDONJSA-N 1 0 275.312 1.846 20 5 CDBDRO CN(CCn1cc([N+](=O)[O-])cn1)CC1([NH+](C)C)CCC1 ZINC000186995261 390167098 /nfs/dbraw/zinc/16/70/98/390167098.db2.gz WKASIRRDISTVEM-UHFFFAOYSA-N 1 0 281.360 1.207 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000320698165 390488378 /nfs/dbraw/zinc/48/83/78/390488378.db2.gz NRMRGNGHZBXIND-UWVGGRQHSA-N 1 0 265.313 1.759 20 5 CDBDRO CSC[C@@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282567706 195648649 /nfs/dbraw/zinc/64/86/49/195648649.db2.gz ZFSPFYYOFIUGRE-ZDUSSCGKSA-N 1 0 284.381 1.793 20 5 CDBDRO COC[C@@]1(CNC(=O)c2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261768302 390485220 /nfs/dbraw/zinc/48/52/20/390485220.db2.gz VQVYYCMEEKWJQK-AWEZNQCLSA-N 1 0 293.323 1.093 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000451479238 390625818 /nfs/dbraw/zinc/62/58/18/390625818.db2.gz MIJPZOGGYMARRD-MVWJERBFSA-N 1 0 294.355 1.622 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCSC[C@H]2C2CC2)n1 ZINC000451645284 390638998 /nfs/dbraw/zinc/63/89/98/390638998.db2.gz CHQRWNCVYWIHDP-NSHDSACASA-N 1 0 282.369 1.619 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2C[C@@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000338707144 390666129 /nfs/dbraw/zinc/66/61/29/390666129.db2.gz JRYFMHYVUHKXHW-QWRGUYRKSA-N 1 0 277.324 1.601 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000262700122 390918440 /nfs/dbraw/zinc/91/84/40/390918440.db2.gz AOYIJPARXKERGN-GXSJLCMTSA-N 1 0 263.297 1.323 20 5 CDBDRO [NH3+]C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000236162835 390964329 /nfs/dbraw/zinc/96/43/29/390964329.db2.gz DYDDIZXIIXUTIV-UHFFFAOYSA-N 1 0 256.693 1.571 20 5 CDBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000452022981 390978908 /nfs/dbraw/zinc/97/89/08/390978908.db2.gz XAVXQFMJKWPBQT-MWLCHTKSSA-N 1 0 268.317 1.376 20 5 CDBDRO C[NH+](C)CCOCCNc1ncc([N+](=O)[O-])cc1F ZINC000413235924 391183316 /nfs/dbraw/zinc/18/33/16/391183316.db2.gz WXNPDXRHHFDXIL-UHFFFAOYSA-N 1 0 272.280 1.119 20 5 CDBDRO CC[N@H+](C)C[C@@H](O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000519834210 391225876 /nfs/dbraw/zinc/22/58/76/391225876.db2.gz IZICHZUEUWAZPW-SNVBAGLBSA-N 1 0 284.312 1.295 20 5 CDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])cn1 ZINC000408067904 391233955 /nfs/dbraw/zinc/23/39/55/391233955.db2.gz PYFRJFVBVJQYEB-UWVGGRQHSA-N 1 0 250.302 1.519 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](C)C[NH3+] ZINC000415496197 391467617 /nfs/dbraw/zinc/46/76/17/391467617.db2.gz GNMOYMPVDQYBOZ-MRVPVSSYSA-N 1 0 266.301 1.620 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000415510498 391468455 /nfs/dbraw/zinc/46/84/55/391468455.db2.gz ZEJMMVQLDDMLHS-VIFPVBQESA-N 1 0 294.311 1.429 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000415759527 391471321 /nfs/dbraw/zinc/47/13/21/391471321.db2.gz IWYWGUHFKIEFDW-JTQLQIEISA-N 1 0 292.339 1.983 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000189300741 129949333 /nfs/dbraw/zinc/94/93/33/129949333.db2.gz LRNMVFBQJNNGAR-CMPLNLGQSA-N 1 0 277.324 1.394 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000191731092 130290760 /nfs/dbraw/zinc/29/07/60/130290760.db2.gz GHIKOVGPLZZBOO-YPMHNXCESA-N 1 0 264.325 1.963 20 5 CDBDRO C[C@@H]1CC[N@H+](C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000354086185 391913349 /nfs/dbraw/zinc/91/33/49/391913349.db2.gz NKFKTRJJLLQAQG-SNVBAGLBSA-N 1 0 250.302 1.520 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H](C)C[NH3+] ZINC000237634388 131050152 /nfs/dbraw/zinc/05/01/52/131050152.db2.gz FZYWBBYQTPCHBQ-SECBINFHSA-N 1 0 251.286 1.322 20 5 CDBDRO C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1CO ZINC000248920973 131118961 /nfs/dbraw/zinc/11/89/61/131118961.db2.gz KSZBBIGRRKDHLI-GWCFXTLKSA-N 1 0 250.298 1.798 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000262856837 131268508 /nfs/dbraw/zinc/26/85/08/131268508.db2.gz SYSRUJKZCQGUJE-JOYOIKCWSA-N 1 0 263.297 1.323 20 5 CDBDRO C[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000263741871 131320518 /nfs/dbraw/zinc/32/05/18/131320518.db2.gz RNQDKONQEKKCEK-AAEUAGOBSA-N 1 0 280.324 1.676 20 5 CDBDRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000419812893 392897468 /nfs/dbraw/zinc/89/74/68/392897468.db2.gz IJMQNAFAESFMSV-AAEUAGOBSA-N 1 0 298.339 1.215 20 5 CDBDRO Cc1nc(N[C@@H]2CCCC[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000420206631 392904155 /nfs/dbraw/zinc/90/41/55/392904155.db2.gz STGVXXZRINLQAQ-VHSXEESVSA-N 1 0 265.317 1.623 20 5 CDBDRO COc1cccc(C(=O)NC(C)(C)CC[NH3+])c1[N+](=O)[O-] ZINC000521861812 392869814 /nfs/dbraw/zinc/86/98/14/392869814.db2.gz RHXMWEDAJNIFTP-UHFFFAOYSA-N 1 0 281.312 1.461 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)NC[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000417854911 392874445 /nfs/dbraw/zinc/87/44/45/392874445.db2.gz QOEYJVVMAGFDAH-ONGXEEELSA-N 1 0 294.355 1.858 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000269138597 132119037 /nfs/dbraw/zinc/11/90/37/132119037.db2.gz SWZWUWWZCIVNKK-GFCCVEGCSA-N 1 0 277.324 1.348 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000430218010 393093442 /nfs/dbraw/zinc/09/34/42/393093442.db2.gz IHYNWKXPWOYNMX-BXKDBHETSA-N 1 0 266.297 1.559 20 5 CDBDRO CNC(=O)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430212712 393093597 /nfs/dbraw/zinc/09/35/97/393093597.db2.gz PLLDRAKJOYOCND-UHFFFAOYSA-N 1 0 281.312 1.171 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000430246369 393095108 /nfs/dbraw/zinc/09/51/08/393095108.db2.gz ROMBWOPGDGXTRU-CQSZACIVSA-N 1 0 293.323 1.301 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H]1C[NH3+] ZINC000070176425 393102465 /nfs/dbraw/zinc/10/24/65/393102465.db2.gz VJICFSIAXPQESA-IUCAKERBSA-N 1 0 267.285 1.387 20 5 CDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH3+])C1 ZINC000430935617 393105138 /nfs/dbraw/zinc/10/51/38/393105138.db2.gz UMOPNSWNOPUXMI-WDEREUQCSA-N 1 0 292.339 1.202 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H]2CCO)c1 ZINC000426212286 393039970 /nfs/dbraw/zinc/03/99/70/393039970.db2.gz YGMVWMKQXFANRA-LBPRGKRZSA-N 1 0 280.324 1.820 20 5 CDBDRO C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000430969166 393106605 /nfs/dbraw/zinc/10/66/05/393106605.db2.gz CCTUFABGCGVHPI-CABZTGNLSA-N 1 0 267.304 1.903 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)N(C)C ZINC000449282340 393131146 /nfs/dbraw/zinc/13/11/46/393131146.db2.gz GPJQTTBUEVIBTI-MNOVXSKESA-N 1 0 279.340 1.592 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000449643417 393135558 /nfs/dbraw/zinc/13/55/58/393135558.db2.gz YXNVWSNAPIYCDR-QWHCGFSZSA-N 1 0 291.351 1.771 20 5 CDBDRO C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000449586389 393135633 /nfs/dbraw/zinc/13/56/33/393135633.db2.gz GBPMOIOZBNCAKA-DTWKUNHWSA-N 1 0 283.353 1.539 20 5 CDBDRO CN(C(=O)COc1cccc([N+](=O)[O-])c1)C1(C[NH3+])CCC1 ZINC000449680243 393139905 /nfs/dbraw/zinc/13/99/05/393139905.db2.gz SZXVNJAWODZTJF-UHFFFAOYSA-N 1 0 293.323 1.313 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000493871123 393223089 /nfs/dbraw/zinc/22/30/89/393223089.db2.gz HBYMQOVKWRLQLB-UWVGGRQHSA-N 1 0 280.328 1.106 20 5 CDBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000086468422 139659545 /nfs/dbraw/zinc/65/95/45/139659545.db2.gz QSOZXJRBMRYWFC-ZJUUUORDSA-N 1 0 278.312 1.809 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)c1[N+](=O)[O-] ZINC000193504321 140145278 /nfs/dbraw/zinc/14/52/78/140145278.db2.gz ZXWRYDKFFFSWNW-CABZTGNLSA-N 1 0 295.314 1.913 20 5 CDBDRO C[NH2+]CCN(C)c1cc(OC)c([N+](=O)[O-])cc1F ZINC000227856435 140187746 /nfs/dbraw/zinc/18/77/46/140187746.db2.gz WHKIUPLSXKYQLG-UHFFFAOYSA-N 1 0 257.265 1.398 20 5 CDBDRO Cc1cccc(C(=O)N[C@H]2CCC[NH2+]CC2)c1[N+](=O)[O-] ZINC000232232780 140220609 /nfs/dbraw/zinc/22/06/09/140220609.db2.gz RMOPNIJUZOIUFM-NSHDSACASA-N 1 0 277.324 1.775 20 5 CDBDRO Cc1cccc(NC[C@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC000235897795 140237749 /nfs/dbraw/zinc/23/77/49/140237749.db2.gz RTUWZURFTVXEQK-SNVBAGLBSA-N 1 0 251.286 1.304 20 5 CDBDRO Cn1c(C(=O)N[C@H](C[NH3+])C2CCCC2)ccc1[N+](=O)[O-] ZINC000236080692 140238826 /nfs/dbraw/zinc/23/88/26/140238826.db2.gz NEHUYINUNFZCGI-SNVBAGLBSA-N 1 0 280.328 1.181 20 5 CDBDRO Cn1c(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000236080197 140239257 /nfs/dbraw/zinc/23/92/57/140239257.db2.gz OJOIMUBSITUDFD-NSHDSACASA-N 1 0 294.355 1.441 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(O)CCC1 ZINC000236839994 140246063 /nfs/dbraw/zinc/24/60/63/140246063.db2.gz JFGFPIXLVCNKQE-UHFFFAOYSA-N 1 0 280.324 1.998 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000261574359 140352679 /nfs/dbraw/zinc/35/26/79/140352679.db2.gz AZVBKBMFLMRJLN-VHSXEESVSA-N 1 0 267.304 1.903 20 5 CDBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@H]2CCC[NH2+]2)s1 ZINC000261576131 140353808 /nfs/dbraw/zinc/35/38/08/140353808.db2.gz BWWAYTKQHPWJAN-SSDOTTSWSA-N 1 0 279.325 1.763 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261798966 140390436 /nfs/dbraw/zinc/39/04/36/140390436.db2.gz YNIWJGJDSLXOJZ-GWCFXTLKSA-N 1 0 290.323 1.811 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[C@@H](N[C@@H]1CC[NH2+]C1)C1CC1 ZINC000423205323 296514212 /nfs/dbraw/zinc/51/42/12/296514212.db2.gz PCWROVYDNIAUID-ZIAGYGMSSA-N 1 0 275.352 1.867 20 5 CDBDRO C[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[NH+](C)C ZINC000299084197 397602232 /nfs/dbraw/zinc/60/22/32/397602232.db2.gz FWHUIJSXCVZZLN-SECBINFHSA-N 1 0 290.323 1.756 20 5 CDBDRO Cc1cc(C(=O)N2CCC[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000135220800 397909930 /nfs/dbraw/zinc/90/99/30/397909930.db2.gz VXNZBULPQFMTDZ-LLVKDONJSA-N 1 0 277.324 1.714 20 5 CDBDRO C[C@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343458069 152187907 /nfs/dbraw/zinc/18/79/07/152187907.db2.gz VWOYUIORVSVVFK-GXFFZTMASA-N 1 0 277.324 1.807 20 5 CDBDRO C[C@H]1[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343513257 152206836 /nfs/dbraw/zinc/20/68/36/152206836.db2.gz JXDQLFAQLSPFKN-ZANVPECISA-N 1 0 295.314 1.946 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000346131779 153064123 /nfs/dbraw/zinc/06/41/23/153064123.db2.gz HWMIKUACVOUVSZ-LLVKDONJSA-N 1 0 294.355 1.097 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](O)C(F)F ZINC000350092110 154325810 /nfs/dbraw/zinc/32/58/10/154325810.db2.gz FQDPKELWWZOATJ-JTQLQIEISA-N 1 0 260.240 1.619 20 5 CDBDRO CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000352223988 155037350 /nfs/dbraw/zinc/03/73/50/155037350.db2.gz YTVOTTDUZNUZKI-JTQLQIEISA-N 1 0 281.312 1.236 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000353869989 156134645 /nfs/dbraw/zinc/13/46/45/156134645.db2.gz QWLPNEBYOVSEHC-ZYHUDNBSSA-N 1 0 298.364 1.568 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])o1 ZINC000363007620 159288947 /nfs/dbraw/zinc/28/89/47/159288947.db2.gz LLCDZANLYLKSAE-ZJUUUORDSA-N 1 0 279.296 1.544 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC([C@@H]3CCOC3)CC2)n1 ZINC000371753686 160047314 /nfs/dbraw/zinc/04/73/14/160047314.db2.gz PSMVOOSDKSVMON-CYBMUJFWSA-N 1 0 294.355 1.540 20 5 CDBDRO C[C@@H]1CC(=O)NCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000372385741 160114882 /nfs/dbraw/zinc/11/48/82/160114882.db2.gz QOPNYFSWKUFIPL-SNVBAGLBSA-N 1 0 263.297 1.305 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000372424866 160119496 /nfs/dbraw/zinc/11/94/96/160119496.db2.gz GBPHRISDPVYZTJ-UHFFFAOYSA-N 1 0 293.323 1.794 20 5 CDBDRO C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285358716 196259959 /nfs/dbraw/zinc/25/99/59/196259959.db2.gz VNLNWWJZTWPLQC-YBYGRFCBSA-N 1 0 297.380 1.739 20 5 CDBDRO C[NH+](C)C(C)(C)CNc1ccc(N)cc1[N+](=O)[O-] ZINC000285615217 196343604 /nfs/dbraw/zinc/34/36/04/196343604.db2.gz MLIPYHYZEIEXPP-UHFFFAOYSA-N 1 0 252.318 1.929 20 5 CDBDRO [NH3+]CCCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000040576984 174342242 /nfs/dbraw/zinc/34/22/42/174342242.db2.gz HFPIUCHIUVJKSW-VMPITWQZSA-N 1 0 263.297 1.463 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040740688 174390530 /nfs/dbraw/zinc/39/05/30/174390530.db2.gz YQAOMYOKLSNZBO-FUNVUKJBSA-N 1 0 289.335 1.537 20 5 CDBDRO O=[N+]([O-])c1c(NC[C@@H]2CCC[NH2+]C2)nc2sccn21 ZINC000044503160 175186368 /nfs/dbraw/zinc/18/63/68/175186368.db2.gz CBMGIBZNEMLHLJ-MRVPVSSYSA-N 1 0 281.341 1.716 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCN(C3CC3)C2)cs1 ZINC000044687473 175232369 /nfs/dbraw/zinc/23/23/69/175232369.db2.gz PIBORFVATYGESD-JTQLQIEISA-N 1 0 267.354 1.983 20 5 CDBDRO COC[C@@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000071268693 176102151 /nfs/dbraw/zinc/10/21/51/176102151.db2.gz AQPCFTVDEYHOHU-SKDRFNHKSA-N 1 0 254.286 1.253 20 5 CDBDRO COC[C@@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000071273078 176105136 /nfs/dbraw/zinc/10/51/36/176105136.db2.gz JCRIQHMZPSFWKA-JTQLQIEISA-N 1 0 274.704 1.345 20 5 CDBDRO CN(c1nc2sccn2c1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000071311864 176118704 /nfs/dbraw/zinc/11/87/04/176118704.db2.gz NAOPMZTZIAXAJE-ZETCQYMHSA-N 1 0 267.314 1.102 20 5 CDBDRO C[N@H+](CCN1CCOCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000078640755 177364165 /nfs/dbraw/zinc/36/41/65/177364165.db2.gz YDDNJHUYSLTNDX-UHFFFAOYSA-N 1 0 279.340 1.359 20 5 CDBDRO [NH3+]C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000417936312 227235188 /nfs/dbraw/zinc/23/51/88/227235188.db2.gz HGYDKINGKMGUDF-ZDUSSCGKSA-N 1 0 292.339 1.174 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000070079123 260151189 /nfs/dbraw/zinc/15/11/89/260151189.db2.gz WKAIVEBDCJGETJ-SECBINFHSA-N 1 0 297.742 1.930 20 5 CDBDRO CCCNC(=O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000044351493 270227275 /nfs/dbraw/zinc/22/72/75/270227275.db2.gz ZRFFPSZPINFQSW-UHFFFAOYSA-N 1 0 265.313 1.601 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000397218014 270346687 /nfs/dbraw/zinc/34/66/87/270346687.db2.gz HUWHARTUYAGPAC-SREVYHEPSA-N 1 0 277.324 1.852 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CC[N@@H+]1C ZINC000525103791 270608099 /nfs/dbraw/zinc/60/80/99/270608099.db2.gz QXIMAYQOKBCRQL-NXEZZACHSA-N 1 0 280.328 1.146 20 5 CDBDRO C[NH2+][C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000234485284 273974946 /nfs/dbraw/zinc/97/49/46/273974946.db2.gz JJTBAMYSUOQDDL-ZETCQYMHSA-N 1 0 256.693 1.441 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@@H](C[NH3+])C2)c1 ZINC000155919887 274117977 /nfs/dbraw/zinc/11/79/77/274117977.db2.gz VDQGGQJFYFSNID-JTQLQIEISA-N 1 0 265.313 1.779 20 5 CDBDRO C[C@H](O)CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000439001075 274532511 /nfs/dbraw/zinc/53/25/11/274532511.db2.gz BGRSOJVTUQBJGC-LBPRGKRZSA-N 1 0 279.340 1.488 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000066944938 275012757 /nfs/dbraw/zinc/01/27/57/275012757.db2.gz SPWAPCKTXNPXDJ-NSHDSACASA-N 1 0 293.323 1.888 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264572268 275012790 /nfs/dbraw/zinc/01/27/90/275012790.db2.gz SLVWRHKZODQCMS-LLVKDONJSA-N 1 0 293.323 1.888 20 5 CDBDRO CC(C)[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(N)=O ZINC000297775797 275692468 /nfs/dbraw/zinc/69/24/68/275692468.db2.gz VXTHCWYEKJDTSY-CYBMUJFWSA-N 1 0 283.303 1.724 20 5 CDBDRO CCCC[N@H+](C)C[C@@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000291164287 276231464 /nfs/dbraw/zinc/23/14/64/276231464.db2.gz QHKQCKMTFIBBAW-SNVBAGLBSA-N 1 0 269.349 1.861 20 5 CDBDRO CCc1ccc(C(=O)N[C@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000349962316 276666743 /nfs/dbraw/zinc/66/67/43/276666743.db2.gz NEORFLCQIBFKJY-SECBINFHSA-N 1 0 265.313 1.624 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000020479021 277050673 /nfs/dbraw/zinc/05/06/73/277050673.db2.gz LKPZMOIZOMOWBK-UHFFFAOYSA-N 1 0 263.297 1.373 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000154697156 277274039 /nfs/dbraw/zinc/27/40/39/277274039.db2.gz DVJQCPGARPIALS-SNVBAGLBSA-N 1 0 297.380 1.659 20 5 CDBDRO CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C)C[C@H]1[NH+](C)C ZINC000271281379 278157911 /nfs/dbraw/zinc/15/79/11/278157911.db2.gz CMWCDWJDISKRGE-VXGBXAGGSA-N 1 0 296.396 1.780 20 5 CDBDRO C[C@H](CN)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423336917 278184320 /nfs/dbraw/zinc/18/43/20/278184320.db2.gz UPIJGKQEYAGNMB-MFKMUULPSA-N 1 0 263.341 1.853 20 5 CDBDRO Cc1ccc(C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000047921658 279155390 /nfs/dbraw/zinc/15/53/90/279155390.db2.gz SRDKGNXCBAKTAU-CQSZACIVSA-N 1 0 291.351 1.973 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000049480230 279176468 /nfs/dbraw/zinc/17/64/68/279176468.db2.gz DFCYSVLZMUOAOV-UHFFFAOYSA-N 1 0 281.360 1.639 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000349915416 279259108 /nfs/dbraw/zinc/25/91/08/279259108.db2.gz MHWUVTMDVUKNKF-LLVKDONJSA-N 1 0 294.355 1.640 20 5 CDBDRO CC[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090552108 279279261 /nfs/dbraw/zinc/27/92/61/279279261.db2.gz ULPOUZVRMIHGGA-NSHDSACASA-N 1 0 265.313 1.488 20 5 CDBDRO C[C@H]([NH3+])C1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000110651848 279318423 /nfs/dbraw/zinc/31/84/23/279318423.db2.gz YKIQFLROFAVMFI-QMMMGPOBSA-N 1 0 295.368 1.868 20 5 CDBDRO O=C1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CCN1 ZINC000118966274 279351137 /nfs/dbraw/zinc/35/11/37/279351137.db2.gz BWXJXEKWEMITFG-UHFFFAOYSA-N 1 0 283.715 1.570 20 5 CDBDRO C[NH2+]CCCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000121230972 279399193 /nfs/dbraw/zinc/39/91/93/279399193.db2.gz ZPWYPIBVHBKIEB-GQCTYLIASA-N 1 0 281.287 1.473 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000070176865 279665026 /nfs/dbraw/zinc/66/50/26/279665026.db2.gz KXJBZVIPJJDJPM-GWCFXTLKSA-N 1 0 277.324 1.794 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050228690 279690028 /nfs/dbraw/zinc/69/00/28/279690028.db2.gz ZPGKEDNKJBIAAJ-QMMMGPOBSA-N 1 0 269.688 1.421 20 5 CDBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000090794989 280013464 /nfs/dbraw/zinc/01/34/64/280013464.db2.gz WBVRYKBRKXHOMC-VHSXEESVSA-N 1 0 250.302 1.884 20 5 CDBDRO [NH3+]C[C@H]1CCCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000217535427 280088861 /nfs/dbraw/zinc/08/88/61/280088861.db2.gz GKQSWJYMNIYQIV-DMTLFAOVSA-N 1 0 289.335 1.805 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000135239094 280359555 /nfs/dbraw/zinc/35/95/55/280359555.db2.gz IIWINTMLZQNLSU-GWCFXTLKSA-N 1 0 277.324 1.760 20 5 CDBDRO O=[N+]([O-])c1ccc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(Cl)c1 ZINC000415045638 280739590 /nfs/dbraw/zinc/73/95/90/280739590.db2.gz WIRXBVILWSVZMD-IAZYJMLFSA-N 1 0 267.716 1.556 20 5 CDBDRO COc1cccc(C(=O)N2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000422686401 280745715 /nfs/dbraw/zinc/74/57/15/280745715.db2.gz HYJSNVATDWANHV-VIFPVBQESA-N 1 0 279.296 1.167 20 5 CDBDRO C[NH+](C)CC(C)(C)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000457220426 289077394 /nfs/dbraw/zinc/07/73/94/289077394.db2.gz LQDFZUKEWYKSOF-UHFFFAOYSA-N 1 0 295.339 1.430 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000554129200 290145841 /nfs/dbraw/zinc/14/58/41/290145841.db2.gz BFIRCDVEQMQZRD-CYBMUJFWSA-N 1 0 293.323 1.184 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CCN(c3ncccc3[N+](=O)[O-])[C@H]2C1 ZINC000272190779 290160827 /nfs/dbraw/zinc/16/08/27/290160827.db2.gz MHOYBHZSEGEQHT-PWSUYJOCSA-N 1 0 262.313 1.520 20 5 CDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1c([N+](=O)[O-])ncn1C ZINC000568309881 294014529 /nfs/dbraw/zinc/01/45/29/294014529.db2.gz ZEJKOCPRSPOQPP-WDEREUQCSA-N 1 0 279.344 1.391 20 5 CDBDRO CC(=O)N1CC([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000570862517 294324933 /nfs/dbraw/zinc/32/49/33/294324933.db2.gz HQPGZXHQZYZKBG-NSHDSACASA-N 1 0 291.351 1.736 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2c[nH]nc2[N+](=O)[O-])CCCCC1 ZINC000572181378 294574882 /nfs/dbraw/zinc/57/48/82/294574882.db2.gz ADRKWKHFICYEOI-UHFFFAOYSA-N 1 0 295.343 1.312 20 5 CDBDRO C[C@@H](NC(=O)N(C)CCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000572466197 294626808 /nfs/dbraw/zinc/62/68/08/294626808.db2.gz SHSDPXROOSHGOV-SNVBAGLBSA-N 1 0 280.328 1.646 20 5 CDBDRO CN(C(=O)NCc1cccc([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000572466099 294626877 /nfs/dbraw/zinc/62/68/77/294626877.db2.gz CHXVYHSQCKFQTE-UHFFFAOYSA-N 1 0 278.312 1.226 20 5 CDBDRO CC(=O)N1CC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000573741701 294879308 /nfs/dbraw/zinc/87/93/08/294879308.db2.gz KYQVJBGWGFDSKX-FZMZJTMJSA-N 1 0 289.335 1.793 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000575745999 317006715 /nfs/dbraw/zinc/00/67/15/317006715.db2.gz QTDGRVXVMMAGCH-NEPJUHHUSA-N 1 0 294.355 1.719 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000383391692 323665474 /nfs/dbraw/zinc/66/54/74/323665474.db2.gz MQCFHAMUHIJPNM-ICJJVXPOSA-N 1 0 275.308 1.414 20 5 CDBDRO [NH3+]CC[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(F)F ZINC000383437309 323667739 /nfs/dbraw/zinc/66/77/39/323667739.db2.gz DSAWYBJRLDRLEE-ZWNMCFTASA-N 1 0 299.277 1.707 20 5 CDBDRO Cc1cc(C(=O)N(C)C2(C[NH3+])CCC2)ccc1[N+](=O)[O-] ZINC000385489670 323708625 /nfs/dbraw/zinc/70/86/25/323708625.db2.gz OWMNGTANCARWFZ-UHFFFAOYSA-N 1 0 277.324 1.857 20 5 CDBDRO CC[NH2+]Cc1cn(Cc2cc(Cl)ccc2[N+](=O)[O-])nn1 ZINC000093634335 1160023902 /nfs/dbraw/zinc/02/39/02/1160023902.db2.gz LVLCEHSZFISTRV-UHFFFAOYSA-N 1 0 295.730 1.998 20 5 CDBDRO Cc1c(CNC(=O)N[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000418076134 533860719 /nfs/dbraw/zinc/86/07/19/533860719.db2.gz FZKKRWGVWFOVBB-NSHDSACASA-N 1 0 278.312 1.064 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CC[C@@H]([NH3+])C1 ZINC000312079938 1186695097 /nfs/dbraw/zinc/69/50/97/1186695097.db2.gz SKVDFGWTLFRACG-VHSXEESVSA-N 1 0 267.333 1.659 20 5 CDBDRO CC1CCC(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000063145305 520923965 /nfs/dbraw/zinc/92/39/65/520923965.db2.gz GATSCXQUHFQACD-YIZWMMSDSA-N 1 0 296.371 1.568 20 5 CDBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000304283265 521262534 /nfs/dbraw/zinc/26/25/34/521262534.db2.gz FEHBYNBHBDLMEG-ZDUSSCGKSA-N 1 0 282.344 1.417 20 5 CDBDRO CCC[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000049480555 521480750 /nfs/dbraw/zinc/48/07/50/521480750.db2.gz QFODDRQUWKMPGL-UHFFFAOYSA-N 1 0 281.312 1.884 20 5 CDBDRO COc1cc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000159423703 522094820 /nfs/dbraw/zinc/09/48/20/522094820.db2.gz CHTVNTGVCDIDDF-NXEZZACHSA-N 1 0 293.323 1.413 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CC[NH+](C)C ZINC000050788221 522644762 /nfs/dbraw/zinc/64/47/62/522644762.db2.gz XFGNVSJDGPOYCK-JTQLQIEISA-N 1 0 294.355 1.707 20 5 CDBDRO CN(CC[NH3+])C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000054417488 522818157 /nfs/dbraw/zinc/81/81/57/522818157.db2.gz LXZHAZIGITUGFJ-UHFFFAOYSA-N 1 0 257.677 1.279 20 5 CDBDRO CCc1nocc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000339304815 522943908 /nfs/dbraw/zinc/94/39/08/522943908.db2.gz OFSNIPIIDDVNHP-UHFFFAOYSA-N 1 0 265.273 1.132 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C1CCC(CO)CC1 ZINC000340700928 523160487 /nfs/dbraw/zinc/16/04/87/523160487.db2.gz IKRLILNAPWOWER-UHFFFAOYSA-N 1 0 282.344 1.311 20 5 CDBDRO COCCN(C)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000061375951 523611489 /nfs/dbraw/zinc/61/14/89/523611489.db2.gz KOMGKJMAQOEFOM-LBPRGKRZSA-N 1 0 281.356 1.824 20 5 CDBDRO COCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000061379792 523615952 /nfs/dbraw/zinc/61/59/52/523615952.db2.gz NOCPADYVSZOCTN-UHFFFAOYSA-N 1 0 267.329 1.893 20 5 CDBDRO COCC[N@H+](C)CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000061379595 523616854 /nfs/dbraw/zinc/61/68/54/523616854.db2.gz INEGODRJYQGNKA-UHFFFAOYSA-N 1 0 299.356 1.294 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000050708058 523814651 /nfs/dbraw/zinc/81/46/51/523814651.db2.gz OLGZGQISOSIYAH-JTQLQIEISA-N 1 0 292.339 1.249 20 5 CDBDRO C[NH+](C)CC(C)(C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000060624662 524045323 /nfs/dbraw/zinc/04/53/23/524045323.db2.gz MZMDBHVLYVUJDV-UHFFFAOYSA-N 1 0 293.367 1.841 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000186850967 524311623 /nfs/dbraw/zinc/31/16/23/524311623.db2.gz IYICNDUOBDUKSQ-GWCFXTLKSA-N 1 0 277.324 1.252 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[NH+](C)C)c1 ZINC000299222786 526065307 /nfs/dbraw/zinc/06/53/07/526065307.db2.gz MUBOMGSVZDHOCV-UHFFFAOYSA-N 1 0 295.339 1.350 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000236266146 527204421 /nfs/dbraw/zinc/20/44/21/527204421.db2.gz KBYNZAKGJBOFAW-CYBMUJFWSA-N 1 0 277.324 1.842 20 5 CDBDRO Cc1nn(C)c(NCC[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000054128347 527678481 /nfs/dbraw/zinc/67/84/81/527678481.db2.gz AOVOFYYFMKMMME-UHFFFAOYSA-N 1 0 255.322 1.389 20 5 CDBDRO CC1(NC(=O)COc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000193393867 528019514 /nfs/dbraw/zinc/01/95/14/528019514.db2.gz SCVCBEDKKHRVBG-UHFFFAOYSA-N 1 0 293.323 1.232 20 5 CDBDRO CC[C@](C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000177126564 529370139 /nfs/dbraw/zinc/37/01/39/529370139.db2.gz IKYXCIGOPKGBHD-ZDUSSCGKSA-N 1 0 265.313 1.381 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000088147711 535171835 /nfs/dbraw/zinc/17/18/35/535171835.db2.gz JBRLZKMWRRKDLG-UHFFFAOYSA-N 1 0 265.313 1.633 20 5 CDBDRO CCC([NH3+])(CC)CNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000212661649 535194735 /nfs/dbraw/zinc/19/47/35/535194735.db2.gz MAONFWUEKABPHY-UHFFFAOYSA-N 1 0 294.355 1.884 20 5 CDBDRO C[NH2+]CCC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423847442 536443823 /nfs/dbraw/zinc/44/38/23/536443823.db2.gz OUAJAPCZSAMECK-UHFFFAOYSA-N 1 0 271.704 1.474 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccncc2)c1 ZINC000749643235 574539249 /nfs/dbraw/zinc/53/92/49/574539249.db2.gz AJCRDNMDYISGJK-CQSZACIVSA-N 1 0 273.292 1.813 20 5 CDBDRO CC(C)[N@H+](C)CC1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000738089840 574605936 /nfs/dbraw/zinc/60/59/36/574605936.db2.gz NAELWYHWPKZBRB-UHFFFAOYSA-N 1 0 295.387 1.801 20 5 CDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000771286825 575564787 /nfs/dbraw/zinc/56/47/87/575564787.db2.gz GQHFMLYZKFCBHN-GHMZBOCLSA-N 1 0 289.339 1.771 20 5 CDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000771463802 575581156 /nfs/dbraw/zinc/58/11/56/575581156.db2.gz ZKSZMMDTSCRQED-JMSVASOKSA-N 1 0 293.367 1.653 20 5 CDBDRO COc1cc(C[NH2+][C@H](CO)C2CC2)c([N+](=O)[O-])cc1F ZINC000771813899 575617399 /nfs/dbraw/zinc/61/73/99/575617399.db2.gz QMKNGEYLBBJOFN-LLVKDONJSA-N 1 0 284.287 1.603 20 5 CDBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000761104826 576549183 /nfs/dbraw/zinc/54/91/83/576549183.db2.gz IFVVLRBACUTQTN-WQAKAFBOSA-N 1 0 266.297 1.083 20 5 CDBDRO COC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000754386001 576894613 /nfs/dbraw/zinc/89/46/13/576894613.db2.gz UOWDMUBXKATPSG-UONOGXRCSA-N 1 0 282.340 1.889 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNc1c([N+](=O)[O-])cnn1C ZINC000891458750 617419542 /nfs/dbraw/zinc/41/95/42/617419542.db2.gz DNJVVUIWDKLTHI-SECBINFHSA-N 1 0 253.306 1.225 20 5 CDBDRO CC[N@H+](C)C[C@H]1CCN(c2c([N+](=O)[O-])cnn2C)C1 ZINC000892732142 617671617 /nfs/dbraw/zinc/67/16/17/617671617.db2.gz UWEDBPISXZOXIB-SNVBAGLBSA-N 1 0 267.333 1.106 20 5 CDBDRO CCC[N@H+](C)C[C@H]1CCN(c2c([N+](=O)[O-])cnn2C)C1 ZINC000892721391 617654261 /nfs/dbraw/zinc/65/42/61/617654261.db2.gz MLRWKWZOZYBNQN-LLVKDONJSA-N 1 0 281.360 1.496 20 5 CDBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCOC1 ZINC000776591994 617684605 /nfs/dbraw/zinc/68/46/05/617684605.db2.gz NXBQUGCHUYMRAL-FZMZJTMJSA-N 1 0 280.324 1.597 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000818011253 618493035 /nfs/dbraw/zinc/49/30/35/618493035.db2.gz XBXKMPICQZRLJK-MWLCHTKSSA-N 1 0 292.339 1.234 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N(C)CC[NH+]1CCCCC1 ZINC000894406394 618865782 /nfs/dbraw/zinc/86/57/82/618865782.db2.gz LFNBTXPGXJULLO-UHFFFAOYSA-N 1 0 294.355 1.921 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](Nc2c([N+](=O)[O-])cnn2C)C1 ZINC000894594043 618985814 /nfs/dbraw/zinc/98/58/14/618985814.db2.gz YCRPLBLCTKBSIP-SECBINFHSA-N 1 0 253.306 1.225 20 5 CDBDRO C[C@H](Nc1sccc1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC000895246680 619491901 /nfs/dbraw/zinc/49/19/01/619491901.db2.gz PBKSSZDKBGQNOW-GXSJLCMTSA-N 1 0 284.385 1.703 20 5 CDBDRO CC1(C)CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000148042890 620228203 /nfs/dbraw/zinc/22/82/03/620228203.db2.gz QNWKVUPMFCSLPI-UHFFFAOYSA-N 1 0 263.297 1.419 20 5 CDBDRO COc1ccc([C@@H](C[NH2+]CC[N+](=O)[O-])N(C)C)cc1OC ZINC000899859450 622486499 /nfs/dbraw/zinc/48/64/99/622486499.db2.gz JQBJJSPSRWRBSN-GFCCVEGCSA-N 1 0 297.355 1.173 20 5 CDBDRO O=[N+]([O-])CCNC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000905097970 626637445 /nfs/dbraw/zinc/63/74/45/626637445.db2.gz PJVVGKWSQBFZHU-HNNXBMFYSA-N 1 0 277.368 1.417 20 5 CDBDRO C[C@H](O)C[C@H](C[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000905158888 626641864 /nfs/dbraw/zinc/64/18/64/626641864.db2.gz LIVRKHFHZCACPU-WCQYABFASA-N 1 0 252.314 1.407 20 5 CDBDRO O=[N+]([O-])CC[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000905183188 626665311 /nfs/dbraw/zinc/66/53/11/626665311.db2.gz ZPHFJKZNKVKRBE-UHFFFAOYSA-N 1 0 294.351 1.749 20 5 CDBDRO C[C@@]1(CNCC[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000905243553 626700505 /nfs/dbraw/zinc/70/05/05/626700505.db2.gz JZZWZAFWUUVYBH-HNNXBMFYSA-N 1 0 277.368 1.765 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC000905366924 626785653 /nfs/dbraw/zinc/78/56/53/626785653.db2.gz QPQWCSBPOYQBLT-GFCCVEGCSA-N 1 0 250.298 1.367 20 5 CDBDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000905864796 627008534 /nfs/dbraw/zinc/00/85/34/627008534.db2.gz GGSIDADHJIZQTG-OUJBWJOFSA-N 1 0 293.323 1.546 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000911651672 629397546 /nfs/dbraw/zinc/39/75/46/629397546.db2.gz BWDMZJZBSPJXOQ-MRVPVSSYSA-N 1 0 281.337 1.490 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911672571 629399396 /nfs/dbraw/zinc/39/93/96/629399396.db2.gz MHDKXIPFPAZGRA-MRVWCRGKSA-N 1 0 289.335 1.567 20 5 CDBDRO O=C(NCC[NH2+]C1CC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911752973 629471401 /nfs/dbraw/zinc/47/14/01/629471401.db2.gz VNCPFOFCSQCUBQ-KGLIPLIRSA-N 1 0 289.335 1.567 20 5 CDBDRO O=C(NCC[NH2+]C1CC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911752972 629471636 /nfs/dbraw/zinc/47/16/36/629471636.db2.gz VNCPFOFCSQCUBQ-KBPBESRZSA-N 1 0 289.335 1.567 20 5 CDBDRO CC(C)([NH3+])CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911844773 629584559 /nfs/dbraw/zinc/58/45/59/629584559.db2.gz BKAPDERHKBYHPQ-VXGBXAGGSA-N 1 0 277.324 1.552 20 5 CDBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000912805063 630217461 /nfs/dbraw/zinc/21/74/61/630217461.db2.gz IGQJKQWXXRPGAH-UMSGYPCISA-N 1 0 283.372 1.230 20 5 CDBDRO CC1(C)COCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153770773 631865937 /nfs/dbraw/zinc/86/59/37/631865937.db2.gz ROSGVEOMYFRCMC-CYBMUJFWSA-N 1 0 280.324 1.739 20 5 CDBDRO C[C@]1(C[NH3+])CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000261870560 1158763571 /nfs/dbraw/zinc/76/35/71/1158763571.db2.gz YZVBKSHRUKFDIQ-CQSZACIVSA-N 1 0 277.324 1.335 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2COC[C@@H]2F)c([N+](=O)[O-])c1 ZINC001170328085 1162337822 /nfs/dbraw/zinc/33/78/22/1162337822.db2.gz UUKHPZWYGKMJNV-ICCXJUOJSA-N 1 0 298.314 1.861 20 5 CDBDRO CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC001158201273 1162776144 /nfs/dbraw/zinc/77/61/44/1162776144.db2.gz WFBKRUSVXGDXRS-VIFPVBQESA-N 1 0 295.299 1.476 20 5 CDBDRO Cc1nn(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000808192694 1162821243 /nfs/dbraw/zinc/82/12/43/1162821243.db2.gz RDFJUYZAFGHLKE-STQMWFEESA-N 1 0 293.371 1.616 20 5 CDBDRO COc1cccc(-n2ccc(C[NH3+])cc2=N)c1[N+](=O)[O-] ZINC001167689969 1159425770 /nfs/dbraw/zinc/42/57/70/1159425770.db2.gz MFDALANCVZKVQE-UHFFFAOYSA-N 1 0 274.280 1.332 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307937029 1160232765 /nfs/dbraw/zinc/23/27/65/1160232765.db2.gz HIRGVWHBPUAYQV-VIFPVBQESA-N 1 0 278.230 1.998 20 5 CDBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168967710 1161996282 /nfs/dbraw/zinc/99/62/82/1161996282.db2.gz SOOKXWJDCYSGEJ-DGCLKSJQSA-N 1 0 277.324 1.321 20 5 CDBDRO CCCCOC1C[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169030408 1161998223 /nfs/dbraw/zinc/99/82/23/1161998223.db2.gz ZQSKLFICBWGTIV-NWDGAFQWSA-N 1 0 256.346 1.933 20 5 CDBDRO NC(=[NH2+])c1nccn1-c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001157623548 1162243914 /nfs/dbraw/zinc/24/39/14/1162243914.db2.gz WGICXMDTFMAXIJ-UHFFFAOYSA-N 1 0 282.263 1.613 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@](C)([NH3+])C1 ZINC000868079758 1164908371 /nfs/dbraw/zinc/90/83/71/1164908371.db2.gz ICMDQIRMYRDFKI-AWEZNQCLSA-N 1 0 277.324 1.775 20 5 CDBDRO Cc1c(C[NH2+]C[C@@H](O)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000873062175 1165508593 /nfs/dbraw/zinc/50/85/93/1165508593.db2.gz ZAUSPZVYSCFZKV-CQSZACIVSA-N 1 0 290.323 1.460 20 5 CDBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000876578596 1165874780 /nfs/dbraw/zinc/87/47/80/1165874780.db2.gz UDSGRGMDBZFJMR-NEPJUHHUSA-N 1 0 277.324 1.584 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC1C[NH2+]C1 ZINC000876792688 1165917782 /nfs/dbraw/zinc/91/77/82/1165917782.db2.gz XWIJLEURBFKWLU-UHFFFAOYSA-N 1 0 263.297 1.161 20 5 CDBDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000126714506 1166095503 /nfs/dbraw/zinc/09/55/03/1166095503.db2.gz QMBSXWCSJRIZQQ-KYOSRNDESA-N 1 0 293.367 1.701 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000126884435 1166141229 /nfs/dbraw/zinc/14/12/29/1166141229.db2.gz PDTWNPQXBZOFKU-RISCZKNCSA-N 1 0 291.351 1.642 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c(Cl)c1 ZINC001155480256 1167191188 /nfs/dbraw/zinc/19/11/88/1167191188.db2.gz STVMQYNTJGNVRG-BCMRRPTOSA-N 1 0 298.730 1.290 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001155583578 1167243173 /nfs/dbraw/zinc/24/31/73/1167243173.db2.gz OKIKTNNBQTYJAW-JEZHCXPESA-N 1 0 266.276 1.539 20 5 CDBDRO C[NH+](C)CCn1cc(Nc2ccc(O)c([N+](=O)[O-])c2)cn1 ZINC001210392118 1167358742 /nfs/dbraw/zinc/35/87/42/1167358742.db2.gz BKOXDOTVPZOALK-UHFFFAOYSA-N 1 0 291.311 1.802 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)N(CC1CC[NH2+]CC1)CC2 ZINC001574440429 1170983064 /nfs/dbraw/zinc/98/30/64/1170983064.db2.gz DKXQVHAGLNQLBV-UHFFFAOYSA-N 1 0 261.325 1.957 20 5 CDBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC/C=C/C[NH3+] ZINC001577095945 1171600424 /nfs/dbraw/zinc/60/04/24/1171600424.db2.gz BCWOKNPRGCSTFH-OOPCZODUSA-N 1 0 291.351 1.795 20 5 CDBDRO Cc1cc(OCC(=O)N[C@@H](C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC001579639546 1172231461 /nfs/dbraw/zinc/23/14/61/1172231461.db2.gz OVDCWFWFGGXVMX-NSHDSACASA-N 1 0 295.339 1.526 20 5 CDBDRO Cc1cccc(OC(=O)OC2C[NH2+]C2)c1[N+](=O)[O-] ZINC001579771643 1172256751 /nfs/dbraw/zinc/25/67/51/1172256751.db2.gz ICWNBIFSPJDOPZ-UHFFFAOYSA-N 1 0 252.226 1.390 20 5 CDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CC[NH2+]C1 ZINC001579993009 1172316868 /nfs/dbraw/zinc/31/68/68/1172316868.db2.gz PUAFQRAGHALTBL-RXMQYKEDSA-N 1 0 279.222 1.121 20 5 CDBDRO [NH3+][C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000404475843 1186520187 /nfs/dbraw/zinc/52/01/87/1186520187.db2.gz GVJRHUIGINHQAN-NEPJUHHUSA-N 1 0 275.308 1.595 20 5 CDBDRO C[C@H](C(=O)NCCC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000406009359 1186581804 /nfs/dbraw/zinc/58/18/04/1186581804.db2.gz ZLEKNKAORDEHGQ-JTQLQIEISA-N 1 0 279.340 1.942 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@]1(CO)CCOC1 ZINC000449238873 1186808289 /nfs/dbraw/zinc/80/82/89/1186808289.db2.gz TWTXACWEIOWOIM-SMDDNHRTSA-N 1 0 280.324 1.267 20 5 CDBDRO C[C@H]1CCC[C@H]1[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877831949 1166107772 /nfs/dbraw/zinc/10/77/72/1166107772.db2.gz CRFXVBDNGXKEKV-CJYSPXJISA-N 1 0 294.351 1.767 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1CCN[C@@H]1C[NH2+]CCOC1 ZINC000925628157 783735604 /nfs/dbraw/zinc/73/56/04/783735604.db2.gz GMTGLXSGLAVAEJ-GFCCVEGCSA-N 1 0 299.758 1.369 20 5 CDBDRO CC[C@H](C)[C@H](O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843075706 783939268 /nfs/dbraw/zinc/93/92/68/783939268.db2.gz WCHCGFUUOUISCK-ZLKJLUDKSA-N 1 0 282.340 1.625 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN(C)C ZINC000866357722 784082862 /nfs/dbraw/zinc/08/28/62/784082862.db2.gz VOEOKWCLKBOZDM-SNVBAGLBSA-N 1 0 269.320 1.816 20 5 CDBDRO Cc1noc(C[NH2+][C@H](CCO)C2CC2)c1[N+](=O)[O-] ZINC000851932422 784117120 /nfs/dbraw/zinc/11/71/20/784117120.db2.gz GQEXENGVAQKPTO-SECBINFHSA-N 1 0 255.274 1.142 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2cn[nH]c2)c1 ZINC000819386842 784240419 /nfs/dbraw/zinc/24/04/19/784240419.db2.gz DTNXTQKCROLYGS-CYBMUJFWSA-N 1 0 276.296 1.184 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCN1CC[C@H](O)C1 ZINC000873146768 784303743 /nfs/dbraw/zinc/30/37/43/784303743.db2.gz OAEIEBZHDVNMKE-ZDUSSCGKSA-N 1 0 293.367 1.368 20 5 CDBDRO [NH3+]C[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CCCO1 ZINC000313361872 784529097 /nfs/dbraw/zinc/52/90/97/784529097.db2.gz XXDUCHSCKWRMTQ-LBPRGKRZSA-N 1 0 283.303 1.284 20 5 CDBDRO C[C@@H](CNc1ccnc(F)c1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000881908386 784827281 /nfs/dbraw/zinc/82/72/81/784827281.db2.gz OMNKMAPZFSLQHU-JTQLQIEISA-N 1 0 297.334 1.177 20 5 CDBDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886086154 784889334 /nfs/dbraw/zinc/88/93/34/784889334.db2.gz HPBWJAOTPRQGEX-GFCCVEGCSA-N 1 0 292.339 1.290 20 5 CDBDRO C[N@H+](CCNc1ccnc(F)c1[N+](=O)[O-])C1CC1 ZINC000881843763 784984387 /nfs/dbraw/zinc/98/43/87/784984387.db2.gz CBQXJSQZSQRBSB-UHFFFAOYSA-N 1 0 254.265 1.635 20 5 CDBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000854497265 785040933 /nfs/dbraw/zinc/04/09/33/785040933.db2.gz LVNARYXBSLWIFX-UWVGGRQHSA-N 1 0 292.339 1.988 20 5 CDBDRO CC(C)(CCC(=O)N1CC[C@H]([NH+]2CCCC2)C1)[N+](=O)[O-] ZINC000823021069 785045979 /nfs/dbraw/zinc/04/59/79/785045979.db2.gz XSADHUKAJSYJPF-LBPRGKRZSA-N 1 0 283.372 1.519 20 5 CDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2Cc1cccnc1[N+](=O)[O-] ZINC000886315248 785076321 /nfs/dbraw/zinc/07/63/21/785076321.db2.gz CKKGKSRGXLGSGP-OLZOCXBDSA-N 1 0 276.340 1.658 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923392167 785338078 /nfs/dbraw/zinc/33/80/78/785338078.db2.gz HKAHQXOUFRIKON-SCDSUCTJSA-N 1 0 279.340 1.440 20 5 CDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818016552 785544048 /nfs/dbraw/zinc/54/40/48/785544048.db2.gz XHBKFJYPUVDQIF-AWEZNQCLSA-N 1 0 293.298 1.702 20 5 CDBDRO O=C1NCCC[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000839195949 785684291 /nfs/dbraw/zinc/68/42/91/785684291.db2.gz PVOJVSASHGGCNH-VIFPVBQESA-N 1 0 297.742 1.864 20 5 CDBDRO O=C(C[C@@H]1CC[NH2+]C1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831218129 785719614 /nfs/dbraw/zinc/71/96/14/785719614.db2.gz UVPXQSKSLAALQW-VIFPVBQESA-N 1 0 297.742 1.864 20 5 CDBDRO C[C@H]1C[C@H]1C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877831758 785829937 /nfs/dbraw/zinc/82/99/37/785829937.db2.gz YLLQJJGJYGDWTI-BNQQVVLKSA-N 1 0 280.324 1.235 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000886833310 785830569 /nfs/dbraw/zinc/83/05/69/785830569.db2.gz WKNWYEIJJFYOLW-OCCSQVGLSA-N 1 0 290.367 1.954 20 5 CDBDRO CC(C)(C[NH3+])CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000721250796 785838952 /nfs/dbraw/zinc/83/89/52/785838952.db2.gz SLBSGJOWGPWOSZ-UHFFFAOYSA-N 1 0 265.313 1.586 20 5 CDBDRO CN(Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000071310907 785853041 /nfs/dbraw/zinc/85/30/41/785853041.db2.gz QBASVDXFMGMJQY-NSHDSACASA-N 1 0 253.277 1.528 20 5 CDBDRO CCN1CC[C@H]1C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000883360729 785871380 /nfs/dbraw/zinc/87/13/80/785871380.db2.gz JKTWNPNNULIHNJ-NSHDSACASA-N 1 0 295.339 1.493 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CC[NH2+]CC1CC1 ZINC000870864199 785923429 /nfs/dbraw/zinc/92/34/29/785923429.db2.gz UNHPUWUPHFISNG-UHFFFAOYSA-N 1 0 291.351 1.943 20 5 CDBDRO CC(C)([NH3+])Cc1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000843170621 786032362 /nfs/dbraw/zinc/03/23/62/786032362.db2.gz HZNGPRKBQDAEGE-UHFFFAOYSA-N 1 0 276.296 1.848 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(F)c1 ZINC000840250982 786113957 /nfs/dbraw/zinc/11/39/57/786113957.db2.gz GCZSUQOPPOBWCU-KOLCDFICSA-N 1 0 296.302 1.404 20 5 CDBDRO C[NH2+][C@@H](CC(C)C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000884153602 786313802 /nfs/dbraw/zinc/31/38/02/786313802.db2.gz NQCXCNPEOZJCMW-ZDUSSCGKSA-N 1 0 293.367 1.888 20 5 CDBDRO CON(C)CC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000850480840 786370720 /nfs/dbraw/zinc/37/07/20/786370720.db2.gz VQDQHCXHWGCGDH-GFCCVEGCSA-N 1 0 281.356 1.999 20 5 CDBDRO CC(C)[NH2+]Cc1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000090299965 786381188 /nfs/dbraw/zinc/38/11/88/786381188.db2.gz NOONMAPUICTMGF-UHFFFAOYSA-N 1 0 261.285 1.674 20 5 CDBDRO C[C@]([NH3+])(C(=O)N[C@@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000876943103 786417201 /nfs/dbraw/zinc/41/72/01/786417201.db2.gz BVINAONIUFCEBC-IUODEOHRSA-N 1 0 289.335 1.994 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1nc2ccccn2c1[N+](=O)[O-] ZINC000817131585 786511664 /nfs/dbraw/zinc/51/16/64/786511664.db2.gz FXQMMHRBLJZRBW-NSHDSACASA-N 1 0 289.339 1.773 20 5 CDBDRO C[NH2+][C@H]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000129118704 786628123 /nfs/dbraw/zinc/62/81/23/786628123.db2.gz JKORNSZKWXJSPS-VIFPVBQESA-N 1 0 251.286 1.402 20 5 CDBDRO C[C@]([NH3+])(C(=O)NCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000867944602 786710333 /nfs/dbraw/zinc/71/03/33/786710333.db2.gz YDQOYRVIWMGOAG-LLVKDONJSA-N 1 0 273.239 1.150 20 5 CDBDRO COc1cc(NC[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000133814168 786791165 /nfs/dbraw/zinc/79/11/65/786791165.db2.gz AUGDXIZNLBDBGW-VIFPVBQESA-N 1 0 251.286 1.625 20 5 CDBDRO Cc1nc(N2CCC[C@H]3[NH2+]CC[C@H]32)ccc1[N+](=O)[O-] ZINC000864599788 786817627 /nfs/dbraw/zinc/81/76/27/786817627.db2.gz CRLHIAVNEBJFLT-ZYHUDNBSSA-N 1 0 262.313 1.629 20 5 CDBDRO CC(C)NCc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000854158366 786854360 /nfs/dbraw/zinc/85/43/60/786854360.db2.gz UGGYPXNGISFWMQ-UHFFFAOYSA-N 1 0 256.306 1.556 20 5 CDBDRO Cc1n[nH]c(CC[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000873099387 786960519 /nfs/dbraw/zinc/96/05/19/786960519.db2.gz ZVOSBJAFZBNUMS-UHFFFAOYSA-N 1 0 289.339 1.970 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NCCc1ccccc1[N+](=O)[O-] ZINC000925517105 787055344 /nfs/dbraw/zinc/05/53/44/787055344.db2.gz YVVBQPJNJXEWRL-YPMHNXCESA-N 1 0 263.341 1.867 20 5 CDBDRO CN(CC[NH+]1CCCC1)Cc1cccnc1[N+](=O)[O-] ZINC000886008370 787154262 /nfs/dbraw/zinc/15/42/62/787154262.db2.gz KYGDOBQRVDJZTN-UHFFFAOYSA-N 1 0 264.329 1.517 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(Cc3cccnc3[N+](=O)[O-])CC[C@H]21 ZINC000886044532 787516769 /nfs/dbraw/zinc/51/67/69/787516769.db2.gz ZFKJWNMVPJHFDG-GXTWGEPZSA-N 1 0 290.367 1.906 20 5 CDBDRO CNC(=O)CN(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000827862462 787534193 /nfs/dbraw/zinc/53/41/93/787534193.db2.gz GIXIEUSWLYXPOS-UHFFFAOYSA-N 1 0 271.704 1.426 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CC[C@@H](O)C2)c1 ZINC000843092975 787688816 /nfs/dbraw/zinc/68/88/16/787688816.db2.gz OWRSUXCSIAWQFR-ZLKJLUDKSA-N 1 0 280.324 1.379 20 5 CDBDRO C[NH2+]CCCc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000843169670 787804723 /nfs/dbraw/zinc/80/47/23/787804723.db2.gz KCEUGNDAGPBGSW-UHFFFAOYSA-N 1 0 277.284 1.379 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923411918 787853633 /nfs/dbraw/zinc/85/36/33/787853633.db2.gz GBWWKAKJNVFJBZ-CDMKHQONSA-N 1 0 265.313 1.050 20 5 CDBDRO CS[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000886094522 787870847 /nfs/dbraw/zinc/87/08/47/787870847.db2.gz UOSYJXNJRIKEPD-VXGBXAGGSA-N 1 0 296.396 1.467 20 5 CDBDRO CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001050325674 787879092 /nfs/dbraw/zinc/87/90/92/787879092.db2.gz KIMMNYPJWGMOBJ-FDYHWXHSSA-N 1 0 283.372 1.325 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)OC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000845739342 788081113 /nfs/dbraw/zinc/08/11/13/788081113.db2.gz RUIUGGQOSNSMEW-SNVBAGLBSA-N 1 0 295.339 1.963 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)OCC[C@@H]1CCCC[N@@H+]1C ZINC000863851098 788219769 /nfs/dbraw/zinc/21/97/69/788219769.db2.gz IUJRMLPHXBCREU-NSHDSACASA-N 1 0 295.339 1.965 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC23CC(C2)C[NH2+]3)c1C ZINC000884416092 788221038 /nfs/dbraw/zinc/22/10/38/788221038.db2.gz QAKCUYJZPPOCFN-UHFFFAOYSA-N 1 0 289.335 1.693 20 5 CDBDRO C[NH+](C)CCCCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825890876 788233194 /nfs/dbraw/zinc/23/31/94/788233194.db2.gz AFELTDGUHULBFX-CYBMUJFWSA-N 1 0 295.339 1.086 20 5 CDBDRO CC(C)CCNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867949496 788392548 /nfs/dbraw/zinc/39/25/48/788392548.db2.gz AHHYQHRHLWLGHO-CQSZACIVSA-N 1 0 279.340 1.931 20 5 CDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cn2nccc2[N+](=O)[O-])C1 ZINC000246934692 788833704 /nfs/dbraw/zinc/83/37/04/788833704.db2.gz KZUALTDXNJUBAJ-NWDGAFQWSA-N 1 0 279.344 1.165 20 5 CDBDRO CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)[NH3+] ZINC000923387167 789065094 /nfs/dbraw/zinc/06/50/94/789065094.db2.gz VJVMNVZDFVERNL-LBPRGKRZSA-N 1 0 267.329 1.297 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC000792878357 789080640 /nfs/dbraw/zinc/08/06/40/789080640.db2.gz VXSAHIXXIVTOER-LLVKDONJSA-N 1 0 281.268 1.364 20 5 CDBDRO C[C@@H]([NH2+]CC(C)(C)CO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597329 789101600 /nfs/dbraw/zinc/10/16/00/789101600.db2.gz TXFDBFROKLQNLE-SECBINFHSA-N 1 0 267.329 1.846 20 5 CDBDRO CCC[N@H+](CC)CCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819125318 789104631 /nfs/dbraw/zinc/10/46/31/789104631.db2.gz DIXJCRUEMKGNCL-HNNXBMFYSA-N 1 0 295.383 1.950 20 5 CDBDRO Cc1ccc(C[N@@H+](CCO)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000714018178 789110784 /nfs/dbraw/zinc/11/07/84/789110784.db2.gz CCBINYBARNHJJX-LLVKDONJSA-N 1 0 268.313 1.078 20 5 CDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]2C1 ZINC000819719906 789214998 /nfs/dbraw/zinc/21/49/98/789214998.db2.gz JYGYIDPVMRLHTP-NWDGAFQWSA-N 1 0 283.372 1.375 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886839384 789333295 /nfs/dbraw/zinc/33/32/95/789333295.db2.gz CTDMOUQRVDGLGU-SCVCMEIPSA-N 1 0 264.329 1.466 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923293344 789736431 /nfs/dbraw/zinc/73/64/31/789736431.db2.gz QRTLOZDIXQLQSN-VNHYZAJKSA-N 1 0 291.351 1.455 20 5 CDBDRO CC(C)(C[NH3+])CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000721246555 789848474 /nfs/dbraw/zinc/84/84/74/789848474.db2.gz FTRGNPBBYGIQFY-UHFFFAOYSA-N 1 0 265.313 1.586 20 5 CDBDRO CC[C@]([NH3+])(CO)N[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220038 912307506 /nfs/dbraw/zinc/30/75/06/912307506.db2.gz SDEORIBELUIMQA-GXFFZTMASA-N 1 0 267.329 1.173 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC(=O)N(C)C ZINC001173227019 912321784 /nfs/dbraw/zinc/32/17/84/912321784.db2.gz MDVYNOZEUPRFIJ-LLVKDONJSA-N 1 0 279.340 1.546 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)CF ZINC001173228916 912323777 /nfs/dbraw/zinc/32/37/77/912323777.db2.gz LHEFRTJONCDLJB-JOYOIKCWSA-N 1 0 256.277 1.446 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1nncc1C[NH3+] ZINC001173234973 912332420 /nfs/dbraw/zinc/33/24/20/912332420.db2.gz RLAXJBGADAWQSG-SECBINFHSA-N 1 0 261.285 1.449 20 5 CDBDRO CN(C)c1ccc(NC(=N)SCC[NH3+])c([N+](=O)[O-])c1 ZINC001167912460 893923438 /nfs/dbraw/zinc/92/34/38/893923438.db2.gz OHLCCDVRXJSVNY-UHFFFAOYSA-N 1 0 283.357 1.699 20 5 CDBDRO [NH3+]C1(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CCCC1 ZINC000699578939 913996292 /nfs/dbraw/zinc/99/62/92/913996292.db2.gz BXIYCJUTSOOUTH-UHFFFAOYSA-N 1 0 281.287 1.735 20 5 CDBDRO [NH3+]Cc1cccn1-c1ncnc(Cl)c1[N+](=O)[O-] ZINC001167582384 896901574 /nfs/dbraw/zinc/90/15/74/896901574.db2.gz ZTYBNMDLGBDOSA-UHFFFAOYSA-N 1 0 253.649 1.288 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001167690117 898209551 /nfs/dbraw/zinc/20/95/51/898209551.db2.gz FHFIDDYCCXZCMN-UHFFFAOYSA-N 1 0 295.302 1.872 20 5 CDBDRO C[NH+]1CCC(O[C@@H](C[N+](=O)[O-])c2cccnc2)CC1 ZINC001222503863 900189471 /nfs/dbraw/zinc/18/94/71/900189471.db2.gz ICZDHEVZJKBWAS-ZDUSSCGKSA-N 1 0 265.313 1.510 20 5 CDBDRO COc1ccc(NCC[NH+]2CCSCC2)nc1[N+](=O)[O-] ZINC001167833091 901186831 /nfs/dbraw/zinc/18/68/31/901186831.db2.gz YZCFBCJSWVVFSB-UHFFFAOYSA-N 1 0 298.368 1.459 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709954699 902529431 /nfs/dbraw/zinc/52/94/31/902529431.db2.gz SKOVKBKPJBIFRY-ZDUSSCGKSA-N 1 0 280.303 1.709 20 5 CDBDRO CN1Cc2cc(-n3cc(C[NH3+])cn3)cc([N+](=O)[O-])c2N1 ZINC001168260832 908012048 /nfs/dbraw/zinc/01/20/48/908012048.db2.gz BEWMZHOUNAUVNY-UHFFFAOYSA-N 1 0 274.284 1.012 20 5 CDBDRO CC(C)(CCc1noc(C[C@H]2CCC[NH2+]2)n1)[N+](=O)[O-] ZINC000843233393 921379928 /nfs/dbraw/zinc/37/99/28/921379928.db2.gz IUYBGZOIZUWVHT-SECBINFHSA-N 1 0 268.317 1.352 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1NCCCC[NH+](C)C ZINC001161730921 921453201 /nfs/dbraw/zinc/45/32/01/921453201.db2.gz JKUFOLXWPMXSFJ-UHFFFAOYSA-N 1 0 268.317 1.752 20 5 CDBDRO C[N+](C)(C)CCOC[C@H]1COc2cscc2O1 ZINC001224776025 910704634 /nfs/dbraw/zinc/70/46/34/910704634.db2.gz RJZRWGHBNCVSEE-JTQLQIEISA-N 1 0 258.363 1.611 20 5 CDBDRO NC(=[NH2+])c1nccn1-c1c(Cl)cncc1[N+](=O)[O-] ZINC001168418049 912171086 /nfs/dbraw/zinc/17/10/86/912171086.db2.gz RSZZCEDSIAYWJD-UHFFFAOYSA-N 1 0 266.648 1.113 20 5 CDBDRO Cc1ccnc(N2C[C@@H](C[NH3+])CC[C@@H]2C)c1[N+](=O)[O-] ZINC000070496735 916224850 /nfs/dbraw/zinc/22/48/50/916224850.db2.gz YQWIRCXDZYXBFD-WDEREUQCSA-N 1 0 264.329 1.862 20 5 CDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cnc([N+](=O)[O-])cn1 ZINC001168601270 919393489 /nfs/dbraw/zinc/39/34/89/919393489.db2.gz QDXBZYGVCKCKMZ-UWVGGRQHSA-N 1 0 265.317 1.670 20 5 CDBDRO CC[N+](C)(C)Cc1ccccc1N[C@H]1CCS(=O)(=O)C1 ZINC001162499568 922706096 /nfs/dbraw/zinc/70/60/96/922706096.db2.gz JXJFEGYQIAPWPA-AWEZNQCLSA-N 1 0 297.444 1.882 20 5 CDBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839547333 936915040 /nfs/dbraw/zinc/91/50/40/936915040.db2.gz RDMSGMRZYVNBCC-DHGKCCLASA-N 1 0 295.383 1.515 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)cc1F ZINC000839648268 936918146 /nfs/dbraw/zinc/91/81/46/936918146.db2.gz CFGDNVINOGDKOG-AAEUAGOBSA-N 1 0 298.314 1.611 20 5 CDBDRO COc1cnc(N2CC(C)([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001165117482 924973198 /nfs/dbraw/zinc/97/31/98/924973198.db2.gz GTMUGIXYDXZCIJ-UHFFFAOYSA-N 1 0 266.301 1.139 20 5 CDBDRO [NH3+]C1CCN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1 ZINC001166664141 925229647 /nfs/dbraw/zinc/22/96/47/925229647.db2.gz CASLUBHVZYFISJ-UHFFFAOYSA-N 1 0 261.285 1.399 20 5 CDBDRO C[NH2+]C[C@@H](C)c1noc(-c2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000842576761 937062767 /nfs/dbraw/zinc/06/27/67/937062767.db2.gz LWKADOKEIFLSEH-MRVPVSSYSA-N 1 0 292.295 1.976 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1-n1cnc2ccc(C[NH3+])cc21 ZINC001168844832 927504204 /nfs/dbraw/zinc/50/42/04/927504204.db2.gz STXGSKOMBBAATL-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO [NH3+][C@@H]1CCc2nn([C@@H]3CC[C@H](C[N+](=O)[O-])C3)cc2C1 ZINC001168977799 927565026 /nfs/dbraw/zinc/56/50/26/927565026.db2.gz MAWKHRDUNKGEIF-MVWJERBFSA-N 1 0 264.329 1.317 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC001168979549 927567315 /nfs/dbraw/zinc/56/73/15/927567315.db2.gz ZDVDXBFVFFMJES-PSASIEDQSA-N 1 0 266.301 1.482 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc3ccnn32)C1 ZINC001168984638 927572356 /nfs/dbraw/zinc/57/23/56/927572356.db2.gz PIVRFAKUAOEMHK-NEPJUHHUSA-N 1 0 274.324 1.869 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC001168956785 927576946 /nfs/dbraw/zinc/57/69/46/927576946.db2.gz FHCUWBABYGZFGN-RYUDHWBXSA-N 1 0 278.308 1.950 20 5 CDBDRO Cc1ccn2c(c1)nnc2C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168965297 927586026 /nfs/dbraw/zinc/58/60/26/927586026.db2.gz ZEUZDNWWYREJLW-NEPJUHHUSA-N 1 0 289.339 1.573 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)C1 ZINC001168965073 927587416 /nfs/dbraw/zinc/58/74/16/927587416.db2.gz XSBUBOJGKOUJNA-RRFJBIMHSA-N 1 0 278.352 1.625 20 5 CDBDRO CN1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168966202 927589570 /nfs/dbraw/zinc/58/95/70/927589570.db2.gz HAKAMDHRCNBWQO-JHJVBQTASA-N 1 0 255.362 1.506 20 5 CDBDRO CC(C)Oc1nccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168994565 927600601 /nfs/dbraw/zinc/60/06/01/927600601.db2.gz PUQHJKLRSZNKAU-NWDGAFQWSA-N 1 0 294.355 1.799 20 5 CDBDRO CC(C)Oc1ccnc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001169006258 927607444 /nfs/dbraw/zinc/60/74/44/927607444.db2.gz GLCNOXZKCVDQAC-RYUDHWBXSA-N 1 0 294.355 1.799 20 5 CDBDRO CC(C)[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)(C)CN ZINC001169006439 927612285 /nfs/dbraw/zinc/61/22/85/927612285.db2.gz IFSSVUNJVVYSET-VXGBXAGGSA-N 1 0 257.378 1.880 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H](n2ncc3c2CC[NH2+]C3)C1 ZINC001169011030 927616314 /nfs/dbraw/zinc/61/63/14/927616314.db2.gz HKJWMXUXUFBFML-ONGXEEELSA-N 1 0 250.302 1.147 20 5 CDBDRO O=C1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@@H]1F ZINC001169010625 927616530 /nfs/dbraw/zinc/61/65/30/927616530.db2.gz FGAVZWUVQFTFMX-MXWKQRLJSA-N 1 0 258.293 1.435 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CC3(C2)CCCCO3)C1 ZINC001169012870 927619681 /nfs/dbraw/zinc/61/96/81/927619681.db2.gz SJJHYZZFIPERHR-VXGBXAGGSA-N 1 0 254.330 1.687 20 5 CDBDRO CC(=O)N1CCC[C@H]([N@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169041004 927653107 /nfs/dbraw/zinc/65/31/07/927653107.db2.gz AJBOVLOMEJBHGS-MJBXVCDLSA-N 1 0 283.372 1.375 20 5 CDBDRO COC(=O)[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H]1C ZINC001169043785 927655909 /nfs/dbraw/zinc/65/59/09/927655909.db2.gz HRWAIPKSSFNWCW-MROQNXINSA-N 1 0 284.356 1.705 20 5 CDBDRO CC(=O)N1CC[C@H]([N@H+](C(C)C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169047022 927666469 /nfs/dbraw/zinc/66/64/69/927666469.db2.gz PTUBYXZWCLNROI-KFWWJZLASA-N 1 0 297.399 1.763 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1-n1ncc2c1cccc2C[NH3+] ZINC001169194520 927806027 /nfs/dbraw/zinc/80/60/27/927806027.db2.gz IASMBVIOLZIHHK-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO COc1ccnc(-n2ccc([C@@H](C)[NH3+])n2)c1[N+](=O)[O-] ZINC001169228283 927830767 /nfs/dbraw/zinc/83/07/67/927830767.db2.gz OEYKHELTMGVZRX-SSDOTTSWSA-N 1 0 263.257 1.204 20 5 CDBDRO C[C@@H]([NH3+])c1ccn(-c2cc([N+](=O)[O-])c3nccn3c2)n1 ZINC001169233826 927848585 /nfs/dbraw/zinc/84/85/85/927848585.db2.gz SOWJPSNRNVRYQA-MRVPVSSYSA-N 1 0 272.268 1.448 20 5 CDBDRO [NH3+]Cc1ccn(-c2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])c1 ZINC001169716937 928371969 /nfs/dbraw/zinc/37/19/69/928371969.db2.gz SGQZBGGOJVUKBN-UHFFFAOYSA-N 1 0 268.660 1.131 20 5 CDBDRO COc1cc([N+](=O)[O-])c(NC[C@H]2COCC[NH2+]2)cc1F ZINC001170042258 929123869 /nfs/dbraw/zinc/12/38/69/929123869.db2.gz BSIFOMVESRLSEW-QMMMGPOBSA-N 1 0 285.275 1.143 20 5 CDBDRO Cc1c(F)cc([N+](=O)[O-])cc1NC[C@H]1COCC[NH2+]1 ZINC001170047912 929157799 /nfs/dbraw/zinc/15/77/99/929157799.db2.gz UYHSYPHTXJTSEA-VIFPVBQESA-N 1 0 269.276 1.443 20 5 CDBDRO CN(c1cc2c(c([N+](=O)[O-])c1)NN(C)C2)C(C)(C)C[NH3+] ZINC001170060940 929254987 /nfs/dbraw/zinc/25/49/87/929254987.db2.gz YEMOSCRCNXAGGX-UHFFFAOYSA-N 1 0 279.344 1.541 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@@H]2C[NH2+]C[C@H]2CO)cc2cccnc21 ZINC001170781304 929974221 /nfs/dbraw/zinc/97/42/21/929974221.db2.gz JXOQURZBDALIFR-CMPLNLGQSA-N 1 0 288.307 1.135 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(NCCN(C)CC[NH3+])nc1Cl ZINC001159439768 930119463 /nfs/dbraw/zinc/11/94/63/930119463.db2.gz ZBCZPUWDPCJUOM-UHFFFAOYSA-N 1 0 287.751 1.254 20 5 CDBDRO Cc1c(NCC[C@@H](C)[NH3+])ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001170890768 930683612 /nfs/dbraw/zinc/68/36/12/930683612.db2.gz HBUDONJKJPTYGO-SSDOTTSWSA-N 1 0 268.273 1.961 20 5 CDBDRO CC1(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)OCCO1 ZINC000819230798 930777418 /nfs/dbraw/zinc/77/74/18/930777418.db2.gz ZFLCIDGHWQZXOX-CYBMUJFWSA-N 1 0 296.323 1.371 20 5 CDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886229340 930832170 /nfs/dbraw/zinc/83/21/70/930832170.db2.gz OFJDPNZIFQJXBN-NXEZZACHSA-N 1 0 251.286 1.239 20 5 CDBDRO CC1CC[NH+](CCNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000822518211 931171607 /nfs/dbraw/zinc/17/16/07/931171607.db2.gz IRRAAYROFMBPKB-UHFFFAOYSA-N 1 0 285.388 1.670 20 5 CDBDRO CCOC(=O)CN(CC[NH3+])c1cc(F)cc([N+](=O)[O-])c1C ZINC001170994188 931183563 /nfs/dbraw/zinc/18/35/63/931183563.db2.gz MDMDBMXDXXDNNK-UHFFFAOYSA-N 1 0 299.302 1.371 20 5 CDBDRO CSCC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001154418372 937542383 /nfs/dbraw/zinc/54/23/83/937542383.db2.gz ZKMVSLIXIQJFRK-UHFFFAOYSA-N 1 0 297.380 1.554 20 5 CDBDRO [NH3+]Cc1ccc2cn(-c3c[n+]([O-])ccc3[N+](=O)[O-])nc2c1 ZINC001171324902 932671996 /nfs/dbraw/zinc/67/19/96/932671996.db2.gz NORRJRNQKMKWBT-UHFFFAOYSA-N 1 0 285.263 1.026 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(NC[C@@H]3C[C@H](F)C[NH2+]3)c2c1 ZINC001155033501 937623840 /nfs/dbraw/zinc/62/38/40/937623840.db2.gz IFPNXPATCIGGAU-IUCAKERBSA-N 1 0 291.286 1.650 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CCCNC(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000926894267 933031676 /nfs/dbraw/zinc/03/16/76/933031676.db2.gz WZZGQCOJHQNVTJ-ZYHUDNBSSA-N 1 0 277.324 1.914 20 5 CDBDRO O=[N+]([O-])c1cnc(N2C[C@H]3C[NH2+]C[C@H]3C2)c2ccccc21 ZINC001119342049 937711561 /nfs/dbraw/zinc/71/15/61/937711561.db2.gz KXGBYCQZGMCTKD-PHIMTYICSA-N 1 0 284.319 1.799 20 5 CDBDRO CC(C)[C@]1(CO)CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001119434361 937719506 /nfs/dbraw/zinc/71/95/06/937719506.db2.gz DFWHACVZRIBBML-CQSZACIVSA-N 1 0 279.340 1.830 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](CO)CC2CC2)cc1 ZINC001120503093 937804789 /nfs/dbraw/zinc/80/47/89/937804789.db2.gz ITEICCVWUNSHMK-DOMZBBRYSA-N 1 0 294.351 1.626 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]C1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001122010284 937898841 /nfs/dbraw/zinc/89/88/41/937898841.db2.gz MHDKXIPFPAZGRA-YUTCNCBUSA-N 1 0 289.335 1.567 20 5 CDBDRO COc1nc(NCC[C@@H]2CCC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC001156381477 938360958 /nfs/dbraw/zinc/36/09/58/938360958.db2.gz RUEMQCOJNTXXCU-JTQLQIEISA-N 1 0 295.343 1.537 20 5 CDBDRO C[C@@H]1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)CC[NH2+]1 ZINC001156692544 938406786 /nfs/dbraw/zinc/40/67/86/938406786.db2.gz TYXWIQSDINYNRA-MRVPVSSYSA-N 1 0 261.285 1.269 20 5 CDBDRO COc1nc(N2CC[C@@H]([N@H+](C)C(C)C)C2)ncc1[N+](=O)[O-] ZINC001157001211 938444856 /nfs/dbraw/zinc/44/48/56/938444856.db2.gz KORZUGBVKWOLDF-SNVBAGLBSA-N 1 0 295.343 1.312 20 5 CDBDRO CC(C)[N@H+](C)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2N)C1 ZINC001157021633 938446427 /nfs/dbraw/zinc/44/64/27/938446427.db2.gz PRBOOEDXIIBJCN-JTQLQIEISA-N 1 0 279.344 1.491 20 5 CDBDRO CC(C)[N@H+](C)[C@H]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001157022194 938446599 /nfs/dbraw/zinc/44/65/99/938446599.db2.gz VTTKNEGXXCYCFI-JTQLQIEISA-N 1 0 279.344 1.491 20 5 CDBDRO Cc1cnc(N2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001157260251 938470372 /nfs/dbraw/zinc/47/03/72/938470372.db2.gz IQCPCKYANYOSFI-WCQYABFASA-N 1 0 276.340 1.829 20 5 CDBDRO Nc1cc(N2CCCC[C@@]23CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001157471842 938498396 /nfs/dbraw/zinc/49/83/96/938498396.db2.gz OTTUWSLUCCVJRR-AWEZNQCLSA-N 1 0 291.355 1.685 20 5 CDBDRO [NH3+]Cc1cnn(-c2ccc3cccc([N+](=O)[O-])c3n2)c1 ZINC001157471877 938498407 /nfs/dbraw/zinc/49/84/07/938498407.db2.gz PPQFPLRXSVALHW-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCCN1c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001157731728 938537290 /nfs/dbraw/zinc/53/72/90/938537290.db2.gz FLFCACSMLZBDKQ-ONGXEEELSA-N 1 0 287.323 1.854 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH3+])[C@H]2C)n1 ZINC001157746916 938539861 /nfs/dbraw/zinc/53/98/61/938539861.db2.gz OJMHDNMKEGDNRN-RKDXNWHRSA-N 1 0 294.311 1.092 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@](F)(C[NH3+])C2)n1 ZINC001157819035 938551490 /nfs/dbraw/zinc/55/14/90/938551490.db2.gz UVWCGQFMPAQZAK-LBPRGKRZSA-N 1 0 268.292 1.484 20 5 CDBDRO [NH3+]CCc1cnn(-c2ncnc3cc([N+](=O)[O-])ccc32)c1 ZINC001158098463 938582384 /nfs/dbraw/zinc/58/23/84/938582384.db2.gz KSUSGYKBXAADHU-UHFFFAOYSA-N 1 0 284.279 1.225 20 5 CDBDRO Cc1cnc(C[NH3+])n1-c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001158167311 938589078 /nfs/dbraw/zinc/58/90/78/938589078.db2.gz SUXLBELAVUGCSW-UHFFFAOYSA-N 1 0 291.311 1.730 20 5 CDBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@@H](C)[NH2+]1 ZINC001158176982 938590935 /nfs/dbraw/zinc/59/09/35/938590935.db2.gz POXDRNVTVKOHGF-HTQZYQBOSA-N 1 0 254.265 1.316 20 5 CDBDRO O=[N+]([O-])c1cnc(NCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001158628913 938643478 /nfs/dbraw/zinc/64/34/78/938643478.db2.gz QQORSOICKQRULP-MRVPVSSYSA-N 1 0 281.272 1.452 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC2(C[NH2+]C2)CC1 ZINC001159039611 938694692 /nfs/dbraw/zinc/69/46/92/938694692.db2.gz FEHWPWXWVVWNFR-UHFFFAOYSA-N 1 0 262.313 1.488 20 5 CDBDRO O=[N+]([O-])c1cnc(N2C3CCC2CC3)nc1C1C[NH2+]C1 ZINC001159087353 938700207 /nfs/dbraw/zinc/70/02/07/938700207.db2.gz YXYNBVCHCAELNL-UHFFFAOYSA-N 1 0 275.312 1.203 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(-n2c(C[NH3+])cc3ccncc32)n1 ZINC001160959393 938850369 /nfs/dbraw/zinc/85/03/69/938850369.db2.gz ONVFBNAFXHZLPK-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO N=c1ncc(C[NH3+])cn1-c1nccc2ccc([N+](=O)[O-])cc21 ZINC001161418193 938901873 /nfs/dbraw/zinc/90/18/73/938901873.db2.gz NCVWXEVEPJXZSQ-UHFFFAOYSA-N 1 0 296.290 1.267 20 5 CDBDRO COC(=O)c1ccc(C[NH3+])n1-c1ncc([N+](=O)[O-])cc1C ZINC001161934950 938944503 /nfs/dbraw/zinc/94/45/03/938944503.db2.gz JHSCBDFYOUWLFC-UHFFFAOYSA-N 1 0 290.279 1.334 20 5 CDBDRO [NH3+]Cc1cn(-c2nccc(Br)c2[N+](=O)[O-])cn1 ZINC001162304124 938975970 /nfs/dbraw/zinc/97/59/70/938975970.db2.gz KENOIEVHOHBTAZ-UHFFFAOYSA-N 1 0 298.100 1.397 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](Nc2cccc3ncc([N+](=O)[O-])n32)C1 ZINC001162404464 939046576 /nfs/dbraw/zinc/04/65/76/939046576.db2.gz MUIIGINJHACAEX-UWVGGRQHSA-N 1 0 275.312 1.924 20 5 CDBDRO COc1cc(NC[C@H]2C[NH2+][C@H](C)C2)cnc1[N+](=O)[O-] ZINC001162556479 939086837 /nfs/dbraw/zinc/08/68/37/939086837.db2.gz FFQHVFWXSBUZRF-RKDXNWHRSA-N 1 0 266.301 1.408 20 5 CDBDRO COc1ccnc(NC[C@@]2(F)CCCC[NH2+]C2)c1[N+](=O)[O-] ZINC001162578972 939092447 /nfs/dbraw/zinc/09/24/47/939092447.db2.gz BSCJBACRPCWLAL-CYBMUJFWSA-N 1 0 298.318 1.892 20 5 CDBDRO COc1cc(N[C@@]23CCC[C@@H]2[NH2+]CC3)cnc1[N+](=O)[O-] ZINC001162982476 939168676 /nfs/dbraw/zinc/16/86/76/939168676.db2.gz BIJDGCLDHPMUSY-WCQYABFASA-N 1 0 278.312 1.695 20 5 CDBDRO COc1cc([N+](=O)[O-])c(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)cc1F ZINC001163146293 939212534 /nfs/dbraw/zinc/21/25/34/939212534.db2.gz LKMKSFXMHNBFPC-AVPPRXQKSA-N 1 0 297.286 1.141 20 5 CDBDRO C[C@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)c1ccno1 ZINC001163214636 939227162 /nfs/dbraw/zinc/22/71/62/939227162.db2.gz GKHBZNNMXOQNRS-ZETCQYMHSA-N 1 0 290.283 1.233 20 5 CDBDRO COc1ccnc(N[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001163385921 939260612 /nfs/dbraw/zinc/26/06/12/939260612.db2.gz KPVFPPRFCCVMSP-JTQLQIEISA-N 1 0 278.312 1.505 20 5 CDBDRO COc1nc(C)c(N[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001163393407 939261399 /nfs/dbraw/zinc/26/13/99/939261399.db2.gz WUKXSQOIPFEFBE-LBPRGKRZSA-N 1 0 292.339 1.813 20 5 CDBDRO C[NH2+]C1CN(c2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001163701340 939311124 /nfs/dbraw/zinc/31/11/24/939311124.db2.gz JCXPRFMSCYRNDA-UHFFFAOYSA-N 1 0 258.281 1.551 20 5 CDBDRO [NH3+]CCN(CCO)c1cc([N+](=O)[O-])ccc1Cl ZINC001163832467 939339444 /nfs/dbraw/zinc/33/94/44/939339444.db2.gz PCFVGFNTMYDEBM-UHFFFAOYSA-N 1 0 259.693 1.006 20 5 CDBDRO C[NH+](C)C1CN(c2cc(Cl)ncc2[N+](=O)[O-])C1 ZINC001163933589 939356622 /nfs/dbraw/zinc/35/66/22/939356622.db2.gz KFVFWMOFPNPXIN-UHFFFAOYSA-N 1 0 256.693 1.393 20 5 CDBDRO C[NH+](C)C1(C)CN(c2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001165117408 939512040 /nfs/dbraw/zinc/51/20/40/939512040.db2.gz VFIUFMDAYNJDKZ-UHFFFAOYSA-N 1 0 270.720 1.784 20 5 CDBDRO C[NH+]1C[C@H]2CN(c3nccc(Cl)c3[N+](=O)[O-])C[C@@H]2C1 ZINC001165144470 939517160 /nfs/dbraw/zinc/51/71/60/939517160.db2.gz IINZJESRQJUNCB-IUCAKERBSA-N 1 0 282.731 1.641 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(-n3ncc4c3CC[NH2+]C4)cnc2c1 ZINC001165218434 939525683 /nfs/dbraw/zinc/52/56/83/939525683.db2.gz LLRQDMDCRJJQLY-UHFFFAOYSA-N 1 0 296.290 1.369 20 5 CDBDRO [NH3+]CC1(F)CCN(c2cc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001165263516 939536710 /nfs/dbraw/zinc/53/67/10/939536710.db2.gz ZLKNEIBGNKUHOZ-UHFFFAOYSA-N 1 0 288.710 1.910 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(N2CC[C@H]3C[C@@]3([NH3+])C2)nc1Cl ZINC001165326550 939545718 /nfs/dbraw/zinc/54/57/18/939545718.db2.gz FOKIIZQRAKSWLZ-QPUJVOFHSA-N 1 0 282.731 1.879 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001165391487 939557119 /nfs/dbraw/zinc/55/71/19/939557119.db2.gz NZTNIUQMSDCOKQ-PSASIEDQSA-N 1 0 252.249 1.070 20 5 CDBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1cccc([N+](=O)[O-])n1 ZINC001166701275 939628795 /nfs/dbraw/zinc/62/87/95/939628795.db2.gz SZDJDOUHHCNSBE-SECBINFHSA-N 1 0 286.295 1.079 20 5 CDBDRO CN(C[C@@H]1CC[NH2+]C1)c1ncc([N+](=O)[O-])cc1F ZINC001166955615 939658852 /nfs/dbraw/zinc/65/88/52/939658852.db2.gz CLIDJOQXYQVSTI-MRVPVSSYSA-N 1 0 254.265 1.175 20 5 CDBDRO Cc1[nH]c(=O)cc(O[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001218283054 941051092 /nfs/dbraw/zinc/05/10/92/941051092.db2.gz BIBONAQUBGKXPG-MRVPVSSYSA-N 1 0 253.258 1.135 20 5 CDBDRO COC(=O)c1cccnc1CO[C@H](C)C[N+](C)(C)C ZINC001223437743 941677879 /nfs/dbraw/zinc/67/78/79/941677879.db2.gz CRBQJQZCYJHRFA-LLVKDONJSA-N 1 0 267.349 1.480 20 5 CDBDRO O=[N+]([O-])c1ccc(COC2CC[NH+](CCF)CC2)cn1 ZINC001224108850 941721178 /nfs/dbraw/zinc/72/11/78/941721178.db2.gz LTMUIGPPGWUSJT-UHFFFAOYSA-N 1 0 283.303 1.940 20 5 CDBDRO CC[NH+]1CCC(OCc2ccc([N+](=O)[O-])nc2)CC1 ZINC001224109121 941721463 /nfs/dbraw/zinc/72/14/63/941721463.db2.gz NZWQRDFLAOTENK-UHFFFAOYSA-N 1 0 265.313 1.991 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2ccncc2c1 ZINC001225451389 941861475 /nfs/dbraw/zinc/86/14/75/941861475.db2.gz RPGODFDHKRXZDO-CQSZACIVSA-N 1 0 289.355 1.597 20 5 CDBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1[nH]ccc(=O)c1[N+](=O)[O-])C2 ZINC001225661783 941896149 /nfs/dbraw/zinc/89/61/49/941896149.db2.gz PDRAVSVUFMARQK-MYJAWHEDSA-N 1 0 279.296 1.699 20 5 CDBDRO C[NH+](C)C1CCC(Oc2[nH]ccc(=O)c2[N+](=O)[O-])CC1 ZINC001225667973 941897691 /nfs/dbraw/zinc/89/76/91/941897691.db2.gz XKBFRKFYZRGKIG-UHFFFAOYSA-N 1 0 281.312 1.947 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1c(F)ccc(F)c1F ZINC001225872991 941922546 /nfs/dbraw/zinc/92/25/46/941922546.db2.gz OSYULZHRAIAISW-MRVPVSSYSA-N 1 0 292.277 1.467 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2c(C(=O)OC)cccc2[N+](=O)[O-])C1 ZINC001227122480 942137271 /nfs/dbraw/zinc/13/72/71/942137271.db2.gz QIDGWYIWLLDQJT-JTQLQIEISA-N 1 0 294.307 1.854 20 5 CDBDRO C[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227462486 942179460 /nfs/dbraw/zinc/17/94/60/942179460.db2.gz GJCGKGPQFVTLAP-JTQLQIEISA-N 1 0 281.268 1.976 20 5 CDBDRO C[C@@H](C[NH+](C)C)Oc1ncc([N+](=O)[O-])c2nc[nH]c21 ZINC001227690146 942204745 /nfs/dbraw/zinc/20/47/45/942204745.db2.gz GOKORNCTPLMBDB-ZETCQYMHSA-N 1 0 265.273 1.195 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1n[nH]c(-c2cccnc2)n1 ZINC001228698173 942360180 /nfs/dbraw/zinc/36/01/80/942360180.db2.gz OGLDVNMWWFGIPA-SNVBAGLBSA-N 1 0 262.337 1.340 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC001229056911 942412647 /nfs/dbraw/zinc/41/26/47/942412647.db2.gz XSFFYDJRYPIHTG-NSHDSACASA-N 1 0 294.307 1.854 20 5 CDBDRO [NH3+][C@@H](CC(F)F)CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001332473083 942474456 /nfs/dbraw/zinc/47/44/56/942474456.db2.gz FFLOBPBQFBJTSH-JTQLQIEISA-N 1 0 271.267 1.893 20 5 CDBDRO C[C@@H](C[NH+](C)C)Oc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 ZINC001233702053 943643917 /nfs/dbraw/zinc/64/39/17/943643917.db2.gz JWWIMCUOSORBJH-QMMMGPOBSA-N 1 0 269.257 1.832 20 5 CDBDRO CC(C)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cn1 ZINC001234485894 943863293 /nfs/dbraw/zinc/86/32/93/943863293.db2.gz OLZYAIRDJKHACB-GFCCVEGCSA-N 1 0 281.376 1.568 20 5 CDBDRO O=C(C[NH2+]C1CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261456353 946125779 /nfs/dbraw/zinc/12/57/79/946125779.db2.gz WNLAFPJVJPMIOZ-UHFFFAOYSA-N 1 0 261.281 1.189 20 5 CDBDRO C[NH+](C)CCONC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001261741063 946255929 /nfs/dbraw/zinc/25/59/29/946255929.db2.gz BMLMDZYLFNURCC-UHFFFAOYSA-N 1 0 292.295 1.299 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](CO)CC2CC2)c1 ZINC001262566295 946718223 /nfs/dbraw/zinc/71/82/23/946718223.db2.gz MGVMHPCHAVGRIV-OCCSQVGLSA-N 1 0 280.324 1.379 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC[C@H]1O ZINC001254538676 947516135 /nfs/dbraw/zinc/51/61/35/947516135.db2.gz YIODGZRMEHTIIH-ZKYQVNSYSA-N 1 0 280.324 1.265 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@@H](O)c1ccccn1)C2 ZINC001254578563 947535320 /nfs/dbraw/zinc/53/53/20/947535320.db2.gz MKTBDWHTHWQJCT-CZUORRHYSA-N 1 0 299.330 1.780 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@H](O)C1CC1)C2 ZINC001254583746 947539647 /nfs/dbraw/zinc/53/96/47/947539647.db2.gz DAPGCYSSDPRPTQ-JSGCOSHPSA-N 1 0 262.309 1.423 20 5 CDBDRO C[C@@H](CO)CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254582425 947540727 /nfs/dbraw/zinc/54/07/27/947540727.db2.gz UJUVFTHZRLFRGA-MFKMUULPSA-N 1 0 264.325 1.670 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1COC[C@@H]1F)C2 ZINC001254589412 947542334 /nfs/dbraw/zinc/54/23/34/947542334.db2.gz OFHBAJMEHSEOGC-KGYLQXTDSA-N 1 0 266.272 1.389 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC001254597391 947546225 /nfs/dbraw/zinc/54/62/25/947546225.db2.gz DBQKDZMZZIUEHD-CVEARBPZSA-N 1 0 287.363 1.842 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCN1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246552263 948259789 /nfs/dbraw/zinc/25/97/89/948259789.db2.gz XQIPUAJVJBKRKG-BIGNPOOSSA-N 1 0 261.325 1.484 20 5 CDBDRO NC[C@]1(F)CCCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246572794 948296671 /nfs/dbraw/zinc/29/66/71/948296671.db2.gz BIGDWEADDUWPAJ-FRRDWIJNSA-N 1 0 273.352 1.585 20 5 CDBDRO CC1(Cc2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C[NH2+]C1 ZINC001247725591 948729420 /nfs/dbraw/zinc/72/94/20/948729420.db2.gz RVOMOQSKKRJNNI-UHFFFAOYSA-N 1 0 293.258 1.331 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CC[NH2+]2)n1 ZINC001248284088 948993731 /nfs/dbraw/zinc/99/37/31/948993731.db2.gz GFHSISRBVWSRSG-ZCFIWIBFSA-N 1 0 265.204 1.213 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001326308447 954312197 /nfs/dbraw/zinc/31/21/97/954312197.db2.gz BFRPGCMJBHFESS-SECBINFHSA-N 1 0 299.302 1.227 20 5 CDBDRO CC(C)C[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001326594923 954447331 /nfs/dbraw/zinc/44/73/31/954447331.db2.gz BBAGAWISSFKGFS-UHFFFAOYSA-N 1 0 277.324 1.730 20 5 CDBDRO COC(=O)c1cccc(OC[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001329281891 955795720 /nfs/dbraw/zinc/79/57/20/955795720.db2.gz JJMXDJSUURAAAP-SNVBAGLBSA-N 1 0 294.307 1.760 20 5 CDBDRO O=[N+]([O-])CCN1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC001332832447 957868154 /nfs/dbraw/zinc/86/81/54/957868154.db2.gz DXYSNJZREZCASB-UHFFFAOYSA-N 1 0 290.298 1.646 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001333178926 958133386 /nfs/dbraw/zinc/13/33/86/958133386.db2.gz WMRDOEUCJJUAQY-SECBINFHSA-N 1 0 279.340 1.797 20 5 CDBDRO C[NH+](C)C1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC001319264500 958466666 /nfs/dbraw/zinc/46/66/66/958466666.db2.gz YIVPMSXJLQMQJS-UHFFFAOYSA-N 1 0 289.335 1.921 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CC[NH+](C(C)(C)C)CC1 ZINC001333640980 958470309 /nfs/dbraw/zinc/47/03/09/958470309.db2.gz MYPUIJXZHZPVIZ-UHFFFAOYSA-N 1 0 267.333 1.249 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001337602250 961300722 /nfs/dbraw/zinc/30/07/22/961300722.db2.gz QDAPKGJBPVBVFP-UHFFFAOYSA-N 1 0 290.367 1.955 20 5 CDBDRO Nc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001337732230 961393442 /nfs/dbraw/zinc/39/34/42/961393442.db2.gz DPDDJCTWHGKAMP-NXEZZACHSA-N 1 0 277.328 1.611 20 5 CDBDRO O=C(Nc1ccccc1)N1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC001338425317 961791616 /nfs/dbraw/zinc/79/16/16/961791616.db2.gz YEPOXZVWKHORCH-UHFFFAOYSA-N 1 0 292.339 1.549 20 5 CDBDRO [NH3+][C@@H]1C[C@H](C(=O)NCCc2ccccc2[N+](=O)[O-])[C@H]2C[C@H]21 ZINC001339972539 962658399 /nfs/dbraw/zinc/65/83/99/962658399.db2.gz HFYFAVGJWPZYTN-QNWHQSFQSA-N 1 0 289.335 1.237 20 5 CDBDRO C[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1ccc([N+](=O)[O-])cc1 ZINC001340990958 963224448 /nfs/dbraw/zinc/22/44/48/963224448.db2.gz MPCABPQLJHLXCD-ZWNOBZJWSA-N 1 0 293.323 1.151 20 5 CDBDRO C[C@@H]1C[C@H](C(=O)NCCc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC001341580064 963470087 /nfs/dbraw/zinc/47/00/87/963470087.db2.gz FXMWRKNXRZMSCG-DGCLKSJQSA-N 1 0 291.351 1.642 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341750628 963529758 /nfs/dbraw/zinc/52/97/58/963529758.db2.gz HFMPSTLMKUEBPP-FXAINCCUSA-N 1 0 263.297 1.162 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001346162555 964963457 /nfs/dbraw/zinc/96/34/57/964963457.db2.gz CBOUIDUFDROHHM-UHFFFAOYSA-N 1 0 289.335 1.903 20 5 CDBDRO C[C@H](CC[NH+]1CCCC1)OC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC001350299236 966626420 /nfs/dbraw/zinc/62/64/20/966626420.db2.gz ANJPMVWVMOWRMC-LLVKDONJSA-N 1 0 296.327 1.209 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC001354201024 968530715 /nfs/dbraw/zinc/53/07/15/968530715.db2.gz DKCKIEPLKOXERF-UHFFFAOYSA-N 1 0 289.335 1.729 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@H]2CCSC2)c1[N+](=O)[O-] ZINC001355312491 969120309 /nfs/dbraw/zinc/12/03/09/969120309.db2.gz LXPAHBXBATZVLS-VIFPVBQESA-N 1 0 284.337 1.904 20 5 CDBDRO CCc1nn(C)c(NC[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000091562096 1174298770 /nfs/dbraw/zinc/29/87/70/1174298770.db2.gz LTOFQHPYDMKPNT-SNVBAGLBSA-N 1 0 281.360 1.787 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC001576747494 1171505383 /nfs/dbraw/zinc/50/53/83/1171505383.db2.gz BPAOSUUVMKZPRQ-KCJUWKMLSA-N 1 0 278.312 1.504 20 5 CDBDRO CN(CCC[NH3+])c1ncc([N+](=O)[O-])c2ccccc21 ZINC001578468308 1171925521 /nfs/dbraw/zinc/92/55/21/1171925521.db2.gz QBEONAPIAOFNJI-UHFFFAOYSA-N 1 0 260.297 1.928 20 5 CDBDRO O=[N+]([O-])c1cc(F)c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c(F)c1 ZINC000586760911 342467051 /nfs/dbraw/zinc/46/70/51/342467051.db2.gz QXRBSPNLGARGQX-RKDXNWHRSA-N 1 0 283.278 1.524 20 5 CDBDRO CCOc1cc(N[C@H](CO)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000589102031 342497050 /nfs/dbraw/zinc/49/70/50/342497050.db2.gz UJFCIKXYNDPNLE-NSHDSACASA-N 1 0 283.328 1.328 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000320606887 341993560 /nfs/dbraw/zinc/99/35/60/341993560.db2.gz XUNWLAYFAFQPIP-IUCAKERBSA-N 1 0 251.286 1.450 20 5 CDBDRO O=[N+]([O-])c1cccc(OCCN[C@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000601328062 342554366 /nfs/dbraw/zinc/55/43/66/342554366.db2.gz FSUQTRGSMPQGMH-DOMZBBRYSA-N 1 0 291.351 1.705 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601330641 342554721 /nfs/dbraw/zinc/55/47/21/342554721.db2.gz WBKWEPWBCHZWNF-TXEJJXNPSA-N 1 0 277.324 1.540 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000070172122 361737774 /nfs/dbraw/zinc/73/77/74/361737774.db2.gz LFQVDOJIEWVPAT-PWSUYJOCSA-N 1 0 277.324 1.794 20 5 CDBDRO CCC(C)(C)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000232895921 342033765 /nfs/dbraw/zinc/03/37/65/342033765.db2.gz LYKKRRUTJOMASY-NSHDSACASA-N 1 0 270.333 1.178 20 5 CDBDRO Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H]2C)cc1[N+](=O)[O-] ZINC000590661425 342581409 /nfs/dbraw/zinc/58/14/09/342581409.db2.gz KQWCGYWLFVYIFJ-ZWNOBZJWSA-N 1 0 250.298 1.858 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000237495067 342060421 /nfs/dbraw/zinc/06/04/21/342060421.db2.gz HXZQGEVPUASJGX-QWRGUYRKSA-N 1 0 293.323 1.312 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3sccc3[N+](=O)[O-])C[C@@H]21 ZINC000590720102 342585916 /nfs/dbraw/zinc/58/59/16/342585916.db2.gz KUHUJAVQZZRRLH-SCZZXKLOSA-N 1 0 253.327 1.797 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000590720113 342585926 /nfs/dbraw/zinc/58/59/26/342585926.db2.gz PNNXHMPXUSFHMQ-KCJUWKMLSA-N 1 0 282.731 1.784 20 5 CDBDRO CC[NH+](CC)CCCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000196767547 342591591 /nfs/dbraw/zinc/59/15/91/342591591.db2.gz ZMXWOSQLFYIVOZ-UHFFFAOYSA-N 1 0 297.359 1.098 20 5 CDBDRO O=C(NCC1CC[NH2+]CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000135216414 342070609 /nfs/dbraw/zinc/07/06/09/342070609.db2.gz XPJQNZHFSAXKMG-UHFFFAOYSA-N 1 0 281.287 1.463 20 5 CDBDRO C[NH+](C)C[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1F ZINC000591149522 342618649 /nfs/dbraw/zinc/61/86/49/342618649.db2.gz BEUFYRDTNMBIHQ-VIFPVBQESA-N 1 0 268.292 1.659 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591436460 342631598 /nfs/dbraw/zinc/63/15/98/342631598.db2.gz AISXZKAKPPHBLW-GXSJLCMTSA-N 1 0 265.288 1.922 20 5 CDBDRO COC(=O)c1cnc(NC[C@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000591429642 342629850 /nfs/dbraw/zinc/62/98/50/342629850.db2.gz HFAHCRJAEGPPDZ-SNVBAGLBSA-N 1 0 294.311 1.330 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCCN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591448174 342632750 /nfs/dbraw/zinc/63/27/50/342632750.db2.gz GABJUSWSKHVAQH-STQMWFEESA-N 1 0 291.351 1.657 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)CC[NH3+] ZINC000310729396 342134549 /nfs/dbraw/zinc/13/45/49/342134549.db2.gz DDARMBWWHKCSIG-VIFPVBQESA-N 1 0 251.286 1.370 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000591668461 342641207 /nfs/dbraw/zinc/64/12/07/342641207.db2.gz BJMAIGKXTUVKFF-LBPRGKRZSA-N 1 0 277.324 1.551 20 5 CDBDRO COc1ccc(C[NH2+]C[C@]2(C)CCC(=O)N2)cc1[N+](=O)[O-] ZINC000453583836 252327789 /nfs/dbraw/zinc/32/77/89/252327789.db2.gz DJYSCBBGDGDYDO-AWEZNQCLSA-N 1 0 293.323 1.362 20 5 CDBDRO CC(C)[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000592241723 342680809 /nfs/dbraw/zinc/68/08/09/342680809.db2.gz FLDIXDJZIABSMW-CQSZACIVSA-N 1 0 291.351 1.594 20 5 CDBDRO CNc1ccc(C(=O)N[C@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000592332415 342685422 /nfs/dbraw/zinc/68/54/22/342685422.db2.gz WMMSAOOFVVTNGX-MRVPVSSYSA-N 1 0 266.301 1.104 20 5 CDBDRO CC1([NH3+])CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000592379231 342687138 /nfs/dbraw/zinc/68/71/38/342687138.db2.gz KXQUPSTXAFCQTE-UHFFFAOYSA-N 1 0 299.352 1.097 20 5 CDBDRO O=c1c([N+](=O)[O-])cc(Cl)cn1C[C@@H]1CC[NH2+]C1 ZINC000592161609 342670801 /nfs/dbraw/zinc/67/08/01/342670801.db2.gz RCRHXGDMPQZXFX-SSDOTTSWSA-N 1 0 257.677 1.019 20 5 CDBDRO C[C@@H](C[NH3+])N(C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592427749 342694626 /nfs/dbraw/zinc/69/46/26/342694626.db2.gz YOCFXQIGJBUYLI-VIFPVBQESA-N 1 0 281.312 1.145 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CCC[NH3+] ZINC000592473562 342698480 /nfs/dbraw/zinc/69/84/80/342698480.db2.gz BDRAAQJLPPRWIR-UHFFFAOYSA-N 1 0 280.328 1.122 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cccc1[N+](=O)[O-] ZINC000592563576 342706597 /nfs/dbraw/zinc/70/65/97/342706597.db2.gz GZKZBAXEIYEIHM-UTUOFQBUSA-N 1 0 275.308 1.270 20 5 CDBDRO CCN1C[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000593685682 342822166 /nfs/dbraw/zinc/82/21/66/342822166.db2.gz DUEQUODQJMKDLG-LLVKDONJSA-N 1 0 277.324 1.553 20 5 CDBDRO CC[N@@H+]1CCC[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000341591748 539038990 /nfs/dbraw/zinc/03/89/90/539038990.db2.gz JOCBIWQDQZVUES-JTQLQIEISA-N 1 0 292.339 1.590 20 5 CDBDRO O=C(NCCC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])o1 ZINC000593918132 342851228 /nfs/dbraw/zinc/85/12/28/342851228.db2.gz AZQLLLSZRTUIFQ-UHFFFAOYSA-N 1 0 267.285 1.307 20 5 CDBDRO C[C@H](O)C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594056837 342869299 /nfs/dbraw/zinc/86/92/99/342869299.db2.gz ZGZSTACDEVWDFR-NSHDSACASA-N 1 0 280.324 1.819 20 5 CDBDRO COc1ccc(C[N@H+](C[C@@H](C)O)C2CC2)cc1[N+](=O)[O-] ZINC000594055707 342869381 /nfs/dbraw/zinc/86/93/81/342869381.db2.gz ONGXMOURXQWPLN-SNVBAGLBSA-N 1 0 280.324 1.949 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2COCCN2)cc1[N+](=O)[O-] ZINC000600710400 342243583 /nfs/dbraw/zinc/24/35/83/342243583.db2.gz OGGMFLOMGZPEMV-DGCLKSJQSA-N 1 0 279.340 1.542 20 5 CDBDRO CCN(CC[NH3+])Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000600722097 342244830 /nfs/dbraw/zinc/24/48/30/342244830.db2.gz XTRYXTFTAOKUGR-UHFFFAOYSA-N 1 0 264.285 1.517 20 5 CDBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1[nH]ncc1[N+](=O)[O-] ZINC000594420481 342903148 /nfs/dbraw/zinc/90/31/48/342903148.db2.gz VDTNDPJSKWLWDK-UWVGGRQHSA-N 1 0 293.327 1.065 20 5 CDBDRO CC[C@H]([NH3+])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766543 529442435 /nfs/dbraw/zinc/44/24/35/529442435.db2.gz QNTLMENDYYIIBQ-KCJUWKMLSA-N 1 0 251.286 1.509 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](C)CO ZINC000595020285 342996014 /nfs/dbraw/zinc/99/60/14/342996014.db2.gz YIBQWPJNMCWDEJ-ZJUUUORDSA-N 1 0 268.313 1.882 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000595276471 343021829 /nfs/dbraw/zinc/02/18/29/343021829.db2.gz ZXEGTYNHWAJASD-JTQLQIEISA-N 1 0 294.355 1.737 20 5 CDBDRO Cc1noc(C[N@@H+]2CCC3(C2)CCOCC3)c1[N+](=O)[O-] ZINC000595334468 343028932 /nfs/dbraw/zinc/02/89/32/343028932.db2.gz ORJMCCIHIKHBQP-UHFFFAOYSA-N 1 0 281.312 1.894 20 5 CDBDRO Cc1noc(CN2CCC[C@@](C)(O)C2)c1[N+](=O)[O-] ZINC000595410220 343050694 /nfs/dbraw/zinc/05/06/94/343050694.db2.gz WGBCXZHDUVFXDY-LLVKDONJSA-N 1 0 255.274 1.238 20 5 CDBDRO CO[C@H]1CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595423591 343055967 /nfs/dbraw/zinc/05/59/67/343055967.db2.gz BIOCPNDUKFMHFO-JTQLQIEISA-N 1 0 269.301 1.892 20 5 CDBDRO Cc1ccc(C[NH2+]CCN2CCCC2=O)cc1[N+](=O)[O-] ZINC000405361300 349786017 /nfs/dbraw/zinc/78/60/17/349786017.db2.gz DRZDMXHGEMQZGF-UHFFFAOYSA-N 1 0 277.324 1.615 20 5 CDBDRO CCC[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000076268857 342320367 /nfs/dbraw/zinc/32/03/67/342320367.db2.gz BVDJABARXGAMPM-SECBINFHSA-N 1 0 280.332 1.111 20 5 CDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1c1ncccc1[N+](=O)[O-] ZINC000078022585 342332980 /nfs/dbraw/zinc/33/29/80/342332980.db2.gz WSQDAEQDYITALQ-LBPRGKRZSA-N 1 0 264.329 1.766 20 5 CDBDRO CC[NH+](CC)C[C@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000078559822 342338354 /nfs/dbraw/zinc/33/83/54/342338354.db2.gz PIMVYVWOPUUHPN-SNVBAGLBSA-N 1 0 294.359 1.135 20 5 CDBDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595868045 343176478 /nfs/dbraw/zinc/17/64/78/343176478.db2.gz QYZYHHSYBKCECU-OUCADQQQSA-N 1 0 296.371 1.805 20 5 CDBDRO COc1cccc(C(=O)NCC2([NH3+])CCCC2)c1[N+](=O)[O-] ZINC000595968403 343199065 /nfs/dbraw/zinc/19/90/65/343199065.db2.gz YTVJTQJWUXWAGP-UHFFFAOYSA-N 1 0 293.323 1.605 20 5 CDBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCCC1 ZINC000595940161 343203224 /nfs/dbraw/zinc/20/32/24/343203224.db2.gz BQKAHZRZIYYBPW-UHFFFAOYSA-N 1 0 269.326 1.658 20 5 CDBDRO O=c1[nH]ccc(N2CCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000596082932 343220411 /nfs/dbraw/zinc/22/04/11/343220411.db2.gz PZSMBEORSVYFKE-NSHDSACASA-N 1 0 292.339 1.760 20 5 CDBDRO CC(C)[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)[NH+]1CCCC1 ZINC000596070001 343225100 /nfs/dbraw/zinc/22/51/00/343225100.db2.gz MRPAHWRDQZIAQR-LBPRGKRZSA-N 1 0 293.371 1.526 20 5 CDBDRO CCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596124293 343236399 /nfs/dbraw/zinc/23/63/99/343236399.db2.gz UTOMNTHUYXFSRQ-UHFFFAOYSA-N 1 0 294.355 1.838 20 5 CDBDRO CCC[N@H+](CC)CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596154169 343246900 /nfs/dbraw/zinc/24/69/00/343246900.db2.gz YKWVLOPXNWZDFQ-UHFFFAOYSA-N 1 0 294.355 1.838 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000596243466 343285527 /nfs/dbraw/zinc/28/55/27/343285527.db2.gz GHYKSIDHMRJDBB-KOLCDFICSA-N 1 0 250.302 1.519 20 5 CDBDRO C[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)[C@@H](C)C[N@@H+]1C ZINC000596177812 343261605 /nfs/dbraw/zinc/26/16/05/343261605.db2.gz HCMMVOCOGUYTTF-BDAKNGLRSA-N 1 0 265.317 1.101 20 5 CDBDRO CCCN(CC[NH+]1CCCC1)c1ccc(N)c([N+](=O)[O-])n1 ZINC000596232902 343262212 /nfs/dbraw/zinc/26/22/12/343262212.db2.gz UBJDRILEOIVBAO-UHFFFAOYSA-N 1 0 293.371 1.884 20 5 CDBDRO CC[N@@H+]1CCCN(c2ncccc2[N+](=O)[O-])[C@H](C)C1 ZINC000596268867 343280870 /nfs/dbraw/zinc/28/08/70/343280870.db2.gz LXHGQSAPDZYAPE-LLVKDONJSA-N 1 0 264.329 1.910 20 5 CDBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])nc2)[C@@H](C)C1 ZINC000596267944 343280905 /nfs/dbraw/zinc/28/09/05/343280905.db2.gz AIVBBLLJVQCAJY-NSHDSACASA-N 1 0 264.329 1.910 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCC[C@@H]2O)c1 ZINC000051993393 362169214 /nfs/dbraw/zinc/16/92/14/362169214.db2.gz AVFXBGRIQYLYBW-STQMWFEESA-N 1 0 250.298 1.988 20 5 CDBDRO CNC(=O)c1ccc(NCC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596428047 343312382 /nfs/dbraw/zinc/31/23/82/343312382.db2.gz CZSDWOWBTSISPL-SNVBAGLBSA-N 1 0 294.355 1.707 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[C@H](C)[NH+](C)C ZINC000596429504 343316077 /nfs/dbraw/zinc/31/60/77/343316077.db2.gz IBGVBPRGZCZGJV-VIFPVBQESA-N 1 0 269.349 1.872 20 5 CDBDRO C[C@H]1C[NH+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000090551262 342396430 /nfs/dbraw/zinc/39/64/30/342396430.db2.gz JDUNVIREARACLX-QWRGUYRKSA-N 1 0 265.313 1.344 20 5 CDBDRO C[NH+]1CCN(CCCNc2ncccc2[N+](=O)[O-])CC1 ZINC000139138353 342443300 /nfs/dbraw/zinc/44/33/00/342443300.db2.gz JHWSMJUSQRWNJT-UHFFFAOYSA-N 1 0 279.344 1.039 20 5 CDBDRO Cc1nn(C)c(N2CC[C@H]([NH+]3CC=CC3)C2)c1[N+](=O)[O-] ZINC000266227965 282272389 /nfs/dbraw/zinc/27/23/89/282272389.db2.gz IWBYBLNKZSCPHG-NSHDSACASA-N 1 0 277.328 1.087 20 5 CDBDRO Cc1nc(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000150767306 136393438 /nfs/dbraw/zinc/39/34/38/136393438.db2.gz MMTAUMZBZXXSDR-GHMZBOCLSA-N 1 0 294.355 1.190 20 5 CDBDRO Cc1nn(C)c(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000049568881 282275363 /nfs/dbraw/zinc/27/53/63/282275363.db2.gz ZRDDQAKGZIGYRS-WDEREUQCSA-N 1 0 279.344 1.675 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@H](C)[NH+](C)C ZINC000597991342 343681849 /nfs/dbraw/zinc/68/18/49/343681849.db2.gz DZTLOUZMIFUXCC-JTQLQIEISA-N 1 0 295.339 1.673 20 5 CDBDRO Cc1c(C(=O)NCC[C@@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000597998609 343685234 /nfs/dbraw/zinc/68/52/34/343685234.db2.gz PNJDMODWQQIBGY-SNVBAGLBSA-N 1 0 279.340 1.973 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598671059 343872337 /nfs/dbraw/zinc/87/23/37/343872337.db2.gz XJOVCDVISSXETC-YMTOWFKASA-N 1 0 290.323 1.130 20 5 CDBDRO CCC[NH2+]CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915400 343919645 /nfs/dbraw/zinc/91/96/45/343919645.db2.gz LHQXPHVVKKQJED-UHFFFAOYSA-N 1 0 284.291 1.855 20 5 CDBDRO CCC(CC)[NH2+]CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000599098571 343954100 /nfs/dbraw/zinc/95/41/00/343954100.db2.gz XGRXVPCXFFGOFS-UHFFFAOYSA-N 1 0 266.345 1.910 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ccc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC000599084008 343958083 /nfs/dbraw/zinc/95/80/83/343958083.db2.gz OKIGIFBISLFBRU-IWIIMEHWSA-N 1 0 265.288 1.730 20 5 CDBDRO Cc1nc(NC[C@@H]2CCCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000599141006 343959757 /nfs/dbraw/zinc/95/97/57/343959757.db2.gz XQJDATNAWSGYFA-LBPRGKRZSA-N 1 0 278.356 1.864 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCCC[N@@H+](C)C1 ZINC000599140331 343960051 /nfs/dbraw/zinc/96/00/51/343960051.db2.gz UVARKVANFLVGRT-GFCCVEGCSA-N 1 0 278.356 1.864 20 5 CDBDRO Cc1ccc(NC(=O)N(C)CCOCC[NH3+])cc1[N+](=O)[O-] ZINC000599584918 344094102 /nfs/dbraw/zinc/09/41/02/344094102.db2.gz CYNXDGNQKKPMIO-UHFFFAOYSA-N 1 0 296.327 1.342 20 5 CDBDRO Cc1nc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292254657 362356011 /nfs/dbraw/zinc/35/60/11/362356011.db2.gz KIBCGKLPFICCGL-CQSZACIVSA-N 1 0 276.340 1.830 20 5 CDBDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000602431706 344424406 /nfs/dbraw/zinc/42/44/06/344424406.db2.gz KCWMIOMEUUKYMK-WCQYABFASA-N 1 0 279.296 1.300 20 5 CDBDRO Cc1c(CC(=O)N2C[C@H]([NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000602597062 344503069 /nfs/dbraw/zinc/50/30/69/344503069.db2.gz TXDCBIUAIVTRES-JOYOIKCWSA-N 1 0 277.324 1.394 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602531360 344456063 /nfs/dbraw/zinc/45/60/63/344456063.db2.gz CTOOVVDNFWVSTA-SSDOTTSWSA-N 1 0 255.249 1.072 20 5 CDBDRO CC(C)C(=O)NCCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602577965 344474066 /nfs/dbraw/zinc/47/40/66/344474066.db2.gz RZFFWZUHVCCXJE-UHFFFAOYSA-N 1 0 293.367 1.889 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000602603186 344489298 /nfs/dbraw/zinc/48/92/98/344489298.db2.gz MQQGPFJTOWCUJB-UWVGGRQHSA-N 1 0 261.281 1.090 20 5 CDBDRO CO[C@H](CN(CC[NH3+])c1ccccc1[N+](=O)[O-])C1CC1 ZINC000602658120 344518795 /nfs/dbraw/zinc/51/87/95/344518795.db2.gz AOCUUFXYIVASSD-CQSZACIVSA-N 1 0 279.340 1.785 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000602800994 344590621 /nfs/dbraw/zinc/59/06/21/344590621.db2.gz KJAXIYNYSFHNLB-QWHCGFSZSA-N 1 0 296.371 1.583 20 5 CDBDRO CC1(C)CN(Cc2csc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000263279257 362491166 /nfs/dbraw/zinc/49/11/66/362491166.db2.gz ZLHLIRNKXWPBQR-UHFFFAOYSA-N 1 0 255.343 1.840 20 5 CDBDRO C[NH2+][C@H](C)c1cn(CCOc2ccccc2[N+](=O)[O-])nn1 ZINC000603201532 344733469 /nfs/dbraw/zinc/73/34/69/344733469.db2.gz RAMOBSXHLIOYSJ-SNVBAGLBSA-N 1 0 291.311 1.546 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)/C=C/C[NH+](C)C ZINC000265646590 362513954 /nfs/dbraw/zinc/51/39/54/362513954.db2.gz NGLCJHIUUSASKG-SNAWJCMRSA-N 1 0 293.323 1.337 20 5 CDBDRO Cc1ccc(C(=O)NC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000129210417 362537258 /nfs/dbraw/zinc/53/72/58/362537258.db2.gz JZXWLGVAAWEZIR-NSHDSACASA-N 1 0 263.297 1.370 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000129129352 345265361 /nfs/dbraw/zinc/26/53/61/345265361.db2.gz OXIJPGJDOBKMBU-QWRGUYRKSA-N 1 0 292.339 1.345 20 5 CDBDRO COc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000129262487 345279488 /nfs/dbraw/zinc/27/94/88/345279488.db2.gz JKBFVQSDRMWTGZ-MWLCHTKSSA-N 1 0 293.323 1.555 20 5 CDBDRO C[C@@H]1C[N@@H+](CCCNc2ncccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000073448663 345460487 /nfs/dbraw/zinc/46/04/87/345460487.db2.gz OEPNEGOYVAAHOH-TXEJJXNPSA-N 1 0 294.355 1.901 20 5 CDBDRO Cc1nn(C)c(NCC2([NH+](C)C)CCOCC2)c1[N+](=O)[O-] ZINC000072947522 345604340 /nfs/dbraw/zinc/60/43/40/345604340.db2.gz QYYLCVPSNIIVRE-UHFFFAOYSA-N 1 0 297.359 1.159 20 5 CDBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000129321077 362649030 /nfs/dbraw/zinc/64/90/30/362649030.db2.gz LCYAPIWBBHCGMJ-RYUDHWBXSA-N 1 0 250.298 1.844 20 5 CDBDRO C[C@@H](CNc1ccc([N+](=O)[O-])s1)N1CC[NH+](C)CC1 ZINC000609561011 345808413 /nfs/dbraw/zinc/80/84/13/345808413.db2.gz VSUDJOVJPIKVFQ-JTQLQIEISA-N 1 0 284.385 1.704 20 5 CDBDRO Cc1cc(C(=O)N2CC[NH2+]CC2(C)C)ccc1[N+](=O)[O-] ZINC000088138710 346011788 /nfs/dbraw/zinc/01/17/88/346011788.db2.gz YZYVBYNQSJDUNK-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO CC[C@H](C)C[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000088297308 346044791 /nfs/dbraw/zinc/04/47/91/346044791.db2.gz UWSDWNJPOYDQMT-LOWVWBTDSA-N 1 0 284.360 1.567 20 5 CDBDRO COC(C)(C)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000610271630 346238625 /nfs/dbraw/zinc/23/86/25/346238625.db2.gz DDIKGPUGURNSSV-UHFFFAOYSA-N 1 0 296.323 1.881 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCCOC3)CC2)cn1 ZINC000610569513 346315177 /nfs/dbraw/zinc/31/51/77/346315177.db2.gz GEIDPHXXTTZCHF-CYBMUJFWSA-N 1 0 292.339 1.291 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H]1C ZINC000610664912 346338362 /nfs/dbraw/zinc/33/83/62/346338362.db2.gz VINMKUIBHNUBNS-JTQLQIEISA-N 1 0 252.318 1.974 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@H]1C ZINC000610664913 346338404 /nfs/dbraw/zinc/33/84/04/346338404.db2.gz VINMKUIBHNUBNS-SNVBAGLBSA-N 1 0 252.318 1.974 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N(C)C ZINC000584665145 346386827 /nfs/dbraw/zinc/38/68/27/346386827.db2.gz BFQPLCLYULBSKX-BXKDBHETSA-N 1 0 277.324 1.648 20 5 CDBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])n2C)[C@H](C)C1 ZINC000344420107 362765384 /nfs/dbraw/zinc/76/53/84/362765384.db2.gz JZFZKZYHVDUHOZ-GHMZBOCLSA-N 1 0 294.355 1.488 20 5 CDBDRO CS[C@@H]1CN(c2cccnc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000611242382 346716545 /nfs/dbraw/zinc/71/65/45/346716545.db2.gz NWQSSLHQPXLHGG-WDEREUQCSA-N 1 0 282.369 1.472 20 5 CDBDRO Cc1nc(N2CC[N@@H+](C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000611299032 346740630 /nfs/dbraw/zinc/74/06/30/346740630.db2.gz JDXUSGOKBSAWOM-MNOVXSKESA-N 1 0 264.329 1.827 20 5 CDBDRO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000122553836 347657339 /nfs/dbraw/zinc/65/73/39/347657339.db2.gz VMSILCDQHLUSIR-GXFFZTMASA-N 1 0 277.324 1.794 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC(C)(C)C[NH+](C)C ZINC000457248120 365921694 /nfs/dbraw/zinc/92/16/94/365921694.db2.gz SRPKCAFXXAYTDB-UHFFFAOYSA-N 1 0 295.339 1.673 20 5 CDBDRO C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000086468340 179299701 /nfs/dbraw/zinc/29/97/01/179299701.db2.gz PSMLWQAEGOEAGW-QWRGUYRKSA-N 1 0 277.324 1.346 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000614711845 348199865 /nfs/dbraw/zinc/19/98/65/348199865.db2.gz UTQGOSYXYHKGJX-TZMCWYRMSA-N 1 0 291.351 1.736 20 5 CDBDRO CC[NH2+]CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111010246 349220406 /nfs/dbraw/zinc/22/04/06/349220406.db2.gz VWRNZLDATKYKPN-UHFFFAOYSA-N 1 0 271.704 1.588 20 5 CDBDRO CC[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCS1 ZINC000090551239 180002637 /nfs/dbraw/zinc/00/26/37/180002637.db2.gz OVTXBTFHYRTAQJ-LBPRGKRZSA-N 1 0 297.380 1.584 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+](C)CC1 ZINC000091557576 180190993 /nfs/dbraw/zinc/19/09/93/180190993.db2.gz HYZUQEZVCSHJDT-UHFFFAOYSA-N 1 0 267.333 1.626 20 5 CDBDRO Cc1c(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000091548077 180187539 /nfs/dbraw/zinc/18/75/39/180187539.db2.gz SEHGOEKEYQYIFJ-NXEZZACHSA-N 1 0 263.297 1.969 20 5 CDBDRO NC(=O)c1ccc(NCC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000110793552 186325103 /nfs/dbraw/zinc/32/51/03/186325103.db2.gz ZOETYMXPKPIDFJ-SNVBAGLBSA-N 1 0 292.339 1.495 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000311707017 350709575 /nfs/dbraw/zinc/70/95/75/350709575.db2.gz NAVLPUOTVNBQPD-DTORHVGOSA-N 1 0 267.333 1.306 20 5 CDBDRO Cc1cc(C(=O)NC[C@H]2CCC[NH2+]C2)c(N)c([N+](=O)[O-])c1 ZINC000130020741 187465814 /nfs/dbraw/zinc/46/58/14/187465814.db2.gz PCMIUBAHOUDWKH-JTQLQIEISA-N 1 0 292.339 1.215 20 5 CDBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000068811047 351126580 /nfs/dbraw/zinc/12/65/80/351126580.db2.gz PYMRGGBDVHGBCN-ZIAGYGMSSA-N 1 0 295.383 1.422 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000516391423 363089138 /nfs/dbraw/zinc/08/91/38/363089138.db2.gz KOXQPDZRTVHAJG-UHFFFAOYSA-N 1 0 294.355 1.538 20 5 CDBDRO COc1ccc(CN2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000123417836 187090903 /nfs/dbraw/zinc/09/09/03/187090903.db2.gz YEZJDFYNXWUSOO-LLVKDONJSA-N 1 0 265.313 1.527 20 5 CDBDRO C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000135221905 187808471 /nfs/dbraw/zinc/80/84/71/187808471.db2.gz UFSJIIKTFRFDLS-DGCLKSJQSA-N 1 0 291.351 1.642 20 5 CDBDRO [NH3+]CC1(NC(=O)COc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000154320574 188135586 /nfs/dbraw/zinc/13/55/86/188135586.db2.gz AQWALQDGLYJLEB-UHFFFAOYSA-N 1 0 293.323 1.361 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000295228841 199412775 /nfs/dbraw/zinc/41/27/75/199412775.db2.gz NSHYAZGNZQRWAD-ZETCQYMHSA-N 1 0 257.315 1.432 20 5 CDBDRO O=[N+]([O-])c1c(NC[C@@H]2CC[NH2+]C2)nc2sccn21 ZINC000133798067 784167550 /nfs/dbraw/zinc/16/75/50/784167550.db2.gz QPYUZUYRQVXTSM-SSDOTTSWSA-N 1 0 267.314 1.325 20 5 CDBDRO O=C1NCCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000036976559 363303179 /nfs/dbraw/zinc/30/31/79/363303179.db2.gz YTNAJFPYJPEIJX-GFCCVEGCSA-N 1 0 263.297 1.353 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000163291892 188604007 /nfs/dbraw/zinc/60/40/07/188604007.db2.gz QZDXRPNOSBECKZ-KOLCDFICSA-N 1 0 263.297 1.404 20 5 CDBDRO C[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000094339222 366225044 /nfs/dbraw/zinc/22/50/44/366225044.db2.gz CCFZKFNAMNNYNF-YRDGOHCCSA-N 1 0 289.335 1.804 20 5 CDBDRO CNc1ccc(C(=O)N(C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000565891511 293704939 /nfs/dbraw/zinc/70/49/39/293704939.db2.gz NRQGGIBGLOAFAR-QMMMGPOBSA-N 1 0 266.301 1.056 20 5 CDBDRO Cc1cc(NCC2=CC[N@H+](C)CC2)ncc1[N+](=O)[O-] ZINC000271798680 191334591 /nfs/dbraw/zinc/33/45/91/191334591.db2.gz KITSVZWGSLQOQO-UHFFFAOYSA-N 1 0 262.313 1.972 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000163291763 356170826 /nfs/dbraw/zinc/17/08/26/356170826.db2.gz QZDXRPNOSBECKZ-ONGXEEELSA-N 1 0 263.297 1.404 20 5 CDBDRO C[C@](O)(C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000336794814 356262704 /nfs/dbraw/zinc/26/27/04/356262704.db2.gz FVINDQFZHFRROM-ZDUSSCGKSA-N 1 0 250.298 1.845 20 5 CDBDRO O=C(CC[C@@H]1CC[NH2+]C1)Nc1cccc([N+](=O)[O-])c1 ZINC000134475682 356322210 /nfs/dbraw/zinc/32/22/10/356322210.db2.gz SVSZYKKROITLCH-SNVBAGLBSA-N 1 0 263.297 1.923 20 5 CDBDRO C[NH+]1CCC(CNc2cccnc2[N+](=O)[O-])CC1 ZINC000134489903 356324555 /nfs/dbraw/zinc/32/45/55/356324555.db2.gz DFQSYUGRLNUZKL-UHFFFAOYSA-N 1 0 250.302 1.744 20 5 CDBDRO O=C(NCC12CCC[NH+]1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000095852154 356638889 /nfs/dbraw/zinc/63/88/89/356638889.db2.gz ZDPAQOPVJQXOEA-UHFFFAOYSA-N 1 0 289.335 1.953 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH2+][C@@H](C)[C@@H]1C ZINC000379432341 357114385 /nfs/dbraw/zinc/11/43/85/357114385.db2.gz JHVAPNKJWRSZLS-QWRGUYRKSA-N 1 0 279.340 1.786 20 5 CDBDRO COc1cccc(NC[C@@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC000135060229 357314656 /nfs/dbraw/zinc/31/46/56/357314656.db2.gz UMBGXHSJVOSHFJ-VIFPVBQESA-N 1 0 267.285 1.004 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000186837695 357697925 /nfs/dbraw/zinc/69/79/25/357697925.db2.gz NEJMAODOMMWKIV-WDEREUQCSA-N 1 0 293.323 1.088 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@H+](CCOC)C1 ZINC000360910560 357743421 /nfs/dbraw/zinc/74/34/21/357743421.db2.gz VGAMROWHHGDKBL-NSHDSACASA-N 1 0 297.359 1.252 20 5 CDBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H](O)C(F)(F)F ZINC000189478359 358015907 /nfs/dbraw/zinc/01/59/07/358015907.db2.gz DXGAGLQMFIBGQL-QMMMGPOBSA-N 1 0 296.249 1.036 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000127269453 358045761 /nfs/dbraw/zinc/04/57/61/358045761.db2.gz CUKPEMYUMVIDTN-SECBINFHSA-N 1 0 281.312 1.189 20 5 CDBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000368974807 283336719 /nfs/dbraw/zinc/33/67/19/283336719.db2.gz QULNLBGVQIYQER-BNOWGMLFSA-N 1 0 289.335 1.681 20 5 CDBDRO COc1cc(C[NH2+]CCCCCO)c([N+](=O)[O-])cc1O ZINC000192906132 358248842 /nfs/dbraw/zinc/24/88/42/358248842.db2.gz JFIGYUQGYZPLSA-UHFFFAOYSA-N 1 0 284.312 1.561 20 5 CDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC(C)(C)C1 ZINC000361472401 358219967 /nfs/dbraw/zinc/21/99/67/358219967.db2.gz XFUSYYLTHBIMRD-DGCLKSJQSA-N 1 0 296.371 1.663 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000193634352 358311471 /nfs/dbraw/zinc/31/14/71/358311471.db2.gz NCWIIVGLBIZBDZ-ZWNOBZJWSA-N 1 0 293.323 1.230 20 5 CDBDRO COc1ccc(OCC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000396631690 358770817 /nfs/dbraw/zinc/77/08/17/358770817.db2.gz GAQPIUFPVQXRDM-JTQLQIEISA-N 1 0 266.297 1.982 20 5 CDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000338074341 358738117 /nfs/dbraw/zinc/73/81/17/358738117.db2.gz ULBBWQWBKRGYFL-LLVKDONJSA-N 1 0 294.355 1.395 20 5 CDBDRO C[NH2+]CCN(C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000120329158 358742362 /nfs/dbraw/zinc/74/23/62/358742362.db2.gz NXJNRNQNYHLGKU-JTQLQIEISA-N 1 0 297.380 1.753 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000186864114 358833094 /nfs/dbraw/zinc/83/30/94/358833094.db2.gz LTYSHJJWSJXMOG-HTQZYQBOSA-N 1 0 269.326 1.384 20 5 CDBDRO C[C@@H](c1cccnc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000093227981 359020881 /nfs/dbraw/zinc/02/08/81/359020881.db2.gz IZKXXMDZQFXKCO-NSHDSACASA-N 1 0 275.312 1.879 20 5 CDBDRO [NH3+]C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000087383911 359033307 /nfs/dbraw/zinc/03/33/07/359033307.db2.gz RFUJMMANPJQGND-UTPRNQHHSA-N 1 0 275.308 1.462 20 5 CDBDRO C[NH2+]CCCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000121016272 359000037 /nfs/dbraw/zinc/00/00/37/359000037.db2.gz QDPFONSPWBFWAL-UHFFFAOYSA-N 1 0 265.313 1.253 20 5 CDBDRO [NH3+]C1(CNC(=O)CNc2ccccc2[N+](=O)[O-])CCC1 ZINC000342609941 359132920 /nfs/dbraw/zinc/13/29/20/359132920.db2.gz UKLMTAJXDXOZQZ-UHFFFAOYSA-N 1 0 278.312 1.004 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000048336892 359202276 /nfs/dbraw/zinc/20/22/76/359202276.db2.gz WMFBHWQZAYYNMT-NXEZZACHSA-N 1 0 265.317 1.367 20 5 CDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCCC[NH2+]1 ZINC000050015902 359275999 /nfs/dbraw/zinc/27/59/99/359275999.db2.gz JYFXWXVQHQXNBD-LLVKDONJSA-N 1 0 263.297 1.353 20 5 CDBDRO CC[N@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000112926730 359366425 /nfs/dbraw/zinc/36/64/25/359366425.db2.gz BIHWBWJQKHEWGU-UHFFFAOYSA-N 1 0 265.313 1.205 20 5 CDBDRO CC(C)[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCCO1 ZINC000339832575 359464953 /nfs/dbraw/zinc/46/49/53/359464953.db2.gz YHCUMEYXPIAGQA-LBPRGKRZSA-N 1 0 282.344 1.538 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000154180446 237031931 /nfs/dbraw/zinc/03/19/31/237031931.db2.gz BBIFWOZORYEGJW-NXEZZACHSA-N 1 0 293.323 1.426 20 5 CDBDRO C[C@H]([NH3+])CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000340185842 359590568 /nfs/dbraw/zinc/59/05/68/359590568.db2.gz PYWJSBIBBWTYHC-NSHDSACASA-N 1 0 279.340 1.771 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000340312559 359637636 /nfs/dbraw/zinc/63/76/36/359637636.db2.gz NVPGESVNBJPKGG-CYBMUJFWSA-N 1 0 291.351 1.973 20 5 CDBDRO CC[NH+](CC)CCOCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000347874156 359897642 /nfs/dbraw/zinc/89/76/42/359897642.db2.gz GPTSPSMSVOPFLQ-UHFFFAOYSA-N 1 0 296.371 1.490 20 5 CDBDRO CCOc1ccc(C(=O)NC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000342728125 359994983 /nfs/dbraw/zinc/99/49/83/359994983.db2.gz WTUDUXIEXKEOOS-JTQLQIEISA-N 1 0 293.323 1.333 20 5 CDBDRO C[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000235613471 360212387 /nfs/dbraw/zinc/21/23/87/360212387.db2.gz KSNFSLOVYUQCFN-SMDDNHRTSA-N 1 0 291.351 1.723 20 5 CDBDRO CCOC(=O)c1ccnc(NCC(C)(C)[NH3+])c1[N+](=O)[O-] ZINC000348173956 360555424 /nfs/dbraw/zinc/55/54/24/360555424.db2.gz NSKMNZHWJYZZPB-UHFFFAOYSA-N 1 0 282.300 1.316 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000178621489 189132204 /nfs/dbraw/zinc/13/22/04/189132204.db2.gz BUZJXRDXRJIXTB-JTQLQIEISA-N 1 0 265.313 1.381 20 5 CDBDRO Cc1c(C(=O)NCC[C@@H](C)[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000178671020 189136292 /nfs/dbraw/zinc/13/62/92/189136292.db2.gz FVQPANVEAPZPPR-SSDOTTSWSA-N 1 0 296.283 1.279 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000299312035 200674511 /nfs/dbraw/zinc/67/45/11/200674511.db2.gz JYSSIMNANUZSJS-MRVPVSSYSA-N 1 0 271.342 1.726 20 5 CDBDRO Cc1nn(C)c(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000575132449 360878143 /nfs/dbraw/zinc/87/81/43/360878143.db2.gz OUPSHVABFHNCPL-SNVBAGLBSA-N 1 0 293.371 1.557 20 5 CDBDRO C[C@@]1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCC(=O)N1 ZINC000572497169 360979782 /nfs/dbraw/zinc/97/97/82/360979782.db2.gz FHKYHZWEBTUXBL-DOMZBBRYSA-N 1 0 289.335 1.840 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000133240243 361346099 /nfs/dbraw/zinc/34/60/99/361346099.db2.gz NMYMVMOUOROMHM-LLVKDONJSA-N 1 0 293.323 1.184 20 5 CDBDRO O=C(NCCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])s1 ZINC000036262891 361375705 /nfs/dbraw/zinc/37/57/05/361375705.db2.gz NDYYSXYGSAXATO-UHFFFAOYSA-N 1 0 269.326 1.528 20 5 CDBDRO [NH3+][C@H](CC(F)F)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000345692203 361399629 /nfs/dbraw/zinc/39/96/29/361399629.db2.gz MSNFSHPEGXXKQJ-MRVPVSSYSA-N 1 0 285.250 1.466 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000580290976 363898623 /nfs/dbraw/zinc/89/86/23/363898623.db2.gz XQXPCWVENKNFEW-PHIMTYICSA-N 1 0 290.323 1.586 20 5 CDBDRO C[C@@H](O)CCC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000581608149 364010781 /nfs/dbraw/zinc/01/07/81/364010781.db2.gz NVWLVTHPLRAELJ-DGCLKSJQSA-N 1 0 298.339 1.085 20 5 CDBDRO CC[C@H](COC)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000581998238 364060515 /nfs/dbraw/zinc/06/05/15/364060515.db2.gz AQVDQIAQEIWOIQ-NEPJUHHUSA-N 1 0 298.339 1.349 20 5 CDBDRO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1O ZINC000249563502 364890694 /nfs/dbraw/zinc/89/06/94/364890694.db2.gz MJUXZVBRHIDRKI-BXUZGUMPSA-N 1 0 280.324 1.676 20 5 CDBDRO Cc1ccc(NC(=O)NC[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000414657942 241305071 /nfs/dbraw/zinc/30/50/71/241305071.db2.gz KUNYGTQAYIMCIY-LLVKDONJSA-N 1 0 294.311 1.013 20 5 CDBDRO Cc1ccc(NC(=O)N(C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000414657583 241306035 /nfs/dbraw/zinc/30/60/35/241306035.db2.gz KNYFBWZIWNEFKZ-VIFPVBQESA-N 1 0 266.301 1.714 20 5 CDBDRO C[NH+](C)C1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272164515 367169885 /nfs/dbraw/zinc/16/98/85/367169885.db2.gz IDWOXWSOKDXGSW-UHFFFAOYSA-N 1 0 299.277 1.459 20 5 CDBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1COC[C@H]1O ZINC000348631924 367590941 /nfs/dbraw/zinc/59/09/41/367590941.db2.gz GKLBVUOIGOOYSD-GNXSNYGWSA-N 1 0 278.308 1.300 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3csc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272450251 367735680 /nfs/dbraw/zinc/73/56/80/367735680.db2.gz JMQNUKPYZZLXNT-KOLCDFICSA-N 1 0 295.364 1.823 20 5 CDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272450245 367736011 /nfs/dbraw/zinc/73/60/11/367736011.db2.gz JMQNUKPYZZLXNT-GXSJLCMTSA-N 1 0 295.364 1.823 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000310821965 368380553 /nfs/dbraw/zinc/38/05/53/368380553.db2.gz BUFLKYZNPBYHEU-SSDOTTSWSA-N 1 0 271.704 1.715 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCSC[C@@H]2CCO)cc1 ZINC000330616665 203043268 /nfs/dbraw/zinc/04/32/68/203043268.db2.gz FCCVLIRSBHNDGK-ZDUSSCGKSA-N 1 0 282.365 1.895 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000089107264 368974011 /nfs/dbraw/zinc/97/40/11/368974011.db2.gz YVKZRDSBQNRBSF-IUCAKERBSA-N 1 0 266.301 1.170 20 5 CDBDRO Cc1nc(N[C@@H]2CC[C@@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000420273250 244008463 /nfs/dbraw/zinc/00/84/63/244008463.db2.gz LVRZGFFNYGUQIG-RKDXNWHRSA-N 1 0 251.290 1.233 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(C)CC1 ZINC000330665637 203093179 /nfs/dbraw/zinc/09/31/79/203093179.db2.gz VPHOASNKHDTNHH-UHFFFAOYSA-N 1 0 252.318 1.832 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000420294772 244038326 /nfs/dbraw/zinc/03/83/26/244038326.db2.gz ZHCIRSJGQUWOII-ZJUUUORDSA-N 1 0 250.302 1.919 20 5 CDBDRO C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[NH2+]1 ZINC000420335798 244104953 /nfs/dbraw/zinc/10/49/53/244104953.db2.gz JDHKWTMONYNHGX-VIFPVBQESA-N 1 0 276.296 1.530 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000420367727 244153104 /nfs/dbraw/zinc/15/31/04/244153104.db2.gz NFRWCJKKTDCKEY-JMSVASOKSA-N 1 0 293.367 1.950 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000420387953 244188456 /nfs/dbraw/zinc/18/84/56/244188456.db2.gz GPAKQQSNPDZJAP-NWDGAFQWSA-N 1 0 279.340 1.656 20 5 CDBDRO Cc1nn(C)c(NC2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000420622071 244288660 /nfs/dbraw/zinc/28/86/60/244288660.db2.gz FDWJKJYZEWCXDI-UHFFFAOYSA-N 1 0 281.360 1.921 20 5 CDBDRO CCNC(=O)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026349348 370285649 /nfs/dbraw/zinc/28/56/49/370285649.db2.gz RGNPXROKGNFOCB-UHFFFAOYSA-N 1 0 265.313 1.553 20 5 CDBDRO C[C@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C(N)=O ZINC000346672153 370577409 /nfs/dbraw/zinc/57/74/09/370577409.db2.gz TUOLEKHFPMKAQW-IUCAKERBSA-N 1 0 297.742 1.801 20 5 CDBDRO COCC[NH2+]CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000414883944 371017053 /nfs/dbraw/zinc/01/70/53/371017053.db2.gz NGTSHJRCRUPHSQ-UHFFFAOYSA-N 1 0 287.747 1.574 20 5 CDBDRO CC[NH2+][C@H](C)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000414954302 371043843 /nfs/dbraw/zinc/04/38/43/371043843.db2.gz KIWPMSBYTAZOQH-SNVBAGLBSA-N 1 0 267.329 1.691 20 5 CDBDRO Nc1nc(SC[C@H]2CC[C@H](C[NH3+])CC2)ncc1[N+](=O)[O-] ZINC001580331615 1172406684 /nfs/dbraw/zinc/40/66/84/1172406684.db2.gz VQTLUEJHCROQAP-KYZUINATSA-N 1 0 297.384 1.824 20 5 CDBDRO O=[N+]([O-])c1ccc(SCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC000368063507 371495207 /nfs/dbraw/zinc/49/52/07/371495207.db2.gz WBSWCKMZVUKPEP-TXEJJXNPSA-N 1 0 295.364 1.945 20 5 CDBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000289796217 197486481 /nfs/dbraw/zinc/48/64/81/197486481.db2.gz YVOWSRVTDOOONB-NEPJUHHUSA-N 1 0 277.324 1.599 20 5 CDBDRO COC[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269650354 373301169 /nfs/dbraw/zinc/30/11/69/373301169.db2.gz MDHIVELCRARXIN-BXUZGUMPSA-N 1 0 280.324 1.597 20 5 CDBDRO CC[C@H]([NH3+])C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810249 373399961 /nfs/dbraw/zinc/39/99/61/373399961.db2.gz DQJUDCYURCTITF-JTQLQIEISA-N 1 0 251.286 1.291 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+](CCO)C2CC2)cc1 ZINC000065534620 373653963 /nfs/dbraw/zinc/65/39/63/373653963.db2.gz NYXKJUBNRUMSMQ-UHFFFAOYSA-N 1 0 266.297 1.430 20 5 CDBDRO Cc1c(CC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000423575828 245917537 /nfs/dbraw/zinc/91/75/37/245917537.db2.gz YZVWXIKAAMMYGP-GXFFZTMASA-N 1 0 291.351 1.560 20 5 CDBDRO CN(c1ncc([N+](=O)[O-])cc1Cl)C1CC[NH2+]CC1 ZINC000420132229 374287102 /nfs/dbraw/zinc/28/71/02/374287102.db2.gz ATSVJCCDVASLLM-UHFFFAOYSA-N 1 0 270.720 1.831 20 5 CDBDRO [NH3+]C[C@@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420177758 374291119 /nfs/dbraw/zinc/29/11/19/374291119.db2.gz ZHSRCSFYLLEYSY-VIFPVBQESA-N 1 0 289.295 1.430 20 5 CDBDRO C[C@H]1C[C@@H](CO)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000420954311 374307324 /nfs/dbraw/zinc/30/73/24/374307324.db2.gz ZKASMXQBSDMAHF-QWHCGFSZSA-N 1 0 294.351 1.924 20 5 CDBDRO CC[C@@H](O)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000421853206 374338190 /nfs/dbraw/zinc/33/81/90/374338190.db2.gz IRZVOUYQZVCFLI-ZWNOBZJWSA-N 1 0 295.339 1.672 20 5 CDBDRO COc1ccc(CN[C@@H]2CCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000422943504 374364513 /nfs/dbraw/zinc/36/45/13/374364513.db2.gz KODNQCXAZNKALE-GHMZBOCLSA-N 1 0 265.313 1.573 20 5 CDBDRO C[C@H](C[C@H]1COCCN1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423017392 374369200 /nfs/dbraw/zinc/36/92/00/374369200.db2.gz WGORLJXDWQQPMO-OCCSQVGLSA-N 1 0 293.367 1.494 20 5 CDBDRO COCC(C)(C)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000425273931 374434276 /nfs/dbraw/zinc/43/42/76/374434276.db2.gz PRQCMHGLMPOAQS-UHFFFAOYSA-N 1 0 294.355 1.537 20 5 CDBDRO CN(C(=O)c1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000082261965 374600258 /nfs/dbraw/zinc/60/02/58/374600258.db2.gz QGVVSIHGBIBDJH-UHFFFAOYSA-N 1 0 277.324 1.761 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCNC(=O)C[C@H]1C ZINC000378326660 374640278 /nfs/dbraw/zinc/64/02/78/374640278.db2.gz ONBQZOAGOQVZAP-SNVBAGLBSA-N 1 0 293.323 1.314 20 5 CDBDRO O=c1cc2c(n[nH]1)CCN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000274864956 374686622 /nfs/dbraw/zinc/68/66/22/374686622.db2.gz JCBAUNMEHRPHRB-UHFFFAOYSA-N 1 0 286.291 1.236 20 5 CDBDRO Cc1cc(N[C@H](C)[C@H]2CN(C)CCO2)ncc1[N+](=O)[O-] ZINC000154780713 374750701 /nfs/dbraw/zinc/75/07/01/374750701.db2.gz XNNNBWHZONIISF-ZYHUDNBSSA-N 1 0 280.328 1.429 20 5 CDBDRO CO[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000276826562 374751055 /nfs/dbraw/zinc/75/10/55/374751055.db2.gz GBSDLBFEOBVIFG-BETUJISGSA-N 1 0 266.297 1.440 20 5 CDBDRO CC[NH+](CC)[C@@H](C)CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000296223825 374716628 /nfs/dbraw/zinc/71/66/28/374716628.db2.gz DOBGWFNBEBKBKT-VIFPVBQESA-N 1 0 267.333 1.835 20 5 CDBDRO CS(=O)(=O)C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000279739340 374956181 /nfs/dbraw/zinc/95/61/81/374956181.db2.gz XCEIUIOFYZRZAV-UHFFFAOYSA-N 1 0 284.337 1.262 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(C3CC3)CCC2)c1 ZINC000391588909 374985737 /nfs/dbraw/zinc/98/57/37/374985737.db2.gz NQQQVLCVWCBTCM-CYBMUJFWSA-N 1 0 294.355 1.322 20 5 CDBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CC[C@H]1CCCO1)CC2 ZINC000332117994 375006893 /nfs/dbraw/zinc/00/68/93/375006893.db2.gz DFHSBVFFYCIJAC-CYBMUJFWSA-N 1 0 277.324 1.917 20 5 CDBDRO CC[NH+](CC)CCn1cc([N+](=O)[O-])c(C)cc1=O ZINC000096548195 375110527 /nfs/dbraw/zinc/11/05/27/375110527.db2.gz YBMMLVJHVKPAGX-UHFFFAOYSA-N 1 0 253.302 1.407 20 5 CDBDRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283005981 375109588 /nfs/dbraw/zinc/10/95/88/375109588.db2.gz FZXFQZMFHGSYLR-CMPLNLGQSA-N 1 0 295.314 1.868 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]12 ZINC000351482126 375300957 /nfs/dbraw/zinc/30/09/57/375300957.db2.gz YYPPHNQHDWTACG-GIPNMCIBSA-N 1 0 279.315 1.903 20 5 CDBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1(C)C ZINC000601185998 375393365 /nfs/dbraw/zinc/39/33/65/375393365.db2.gz BARSQGPWJLZDBW-UHFFFAOYSA-N 1 0 250.302 1.520 20 5 CDBDRO COc1cc(C[NH2+]C[C@@H](O)C(F)F)c([N+](=O)[O-])cc1O ZINC000344766332 375430418 /nfs/dbraw/zinc/43/04/18/375430418.db2.gz XMOZYTRPEXQRRS-SECBINFHSA-N 1 0 292.238 1.025 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H]1C(N)=O ZINC000347330788 375557041 /nfs/dbraw/zinc/55/70/41/375557041.db2.gz FBCNSUGHVKWQAJ-BMGYJQCNSA-N 1 0 289.335 1.948 20 5 CDBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cn1)[N@@H+]1CCCC[C@H]1C ZINC000354512427 375720340 /nfs/dbraw/zinc/72/03/40/375720340.db2.gz SPKYNTYSWFXRHN-MNOVXSKESA-N 1 0 279.344 1.482 20 5 CDBDRO CCC[N@H+](CC)C[C@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000357815947 375936737 /nfs/dbraw/zinc/93/67/37/375936737.db2.gz XCLLELXHJUBYST-JTQLQIEISA-N 1 0 267.333 1.917 20 5 CDBDRO C[N@@H+]1CC[C@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347410571 376108785 /nfs/dbraw/zinc/10/87/85/376108785.db2.gz PBAOJGJSMKAELR-SNVBAGLBSA-N 1 0 287.323 1.324 20 5 CDBDRO C[C@@]1(F)CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000347383172 376053025 /nfs/dbraw/zinc/05/30/25/376053025.db2.gz OFKAHZDIHSHNLG-GXTWGEPZSA-N 1 0 298.314 1.768 20 5 CDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435244581 248161275 /nfs/dbraw/zinc/16/12/75/248161275.db2.gz GFRZYLJDNDIZPQ-LBPRGKRZSA-N 1 0 293.298 1.700 20 5 CDBDRO [NH3+][C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000129243756 377383543 /nfs/dbraw/zinc/38/35/43/377383543.db2.gz AXDQATNEJIPVPU-LLVKDONJSA-N 1 0 264.285 1.454 20 5 CDBDRO CC[C@@H](COC)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278736342 194129717 /nfs/dbraw/zinc/12/97/17/194129717.db2.gz QYSXDJSWFSLDHW-VIFPVBQESA-N 1 0 278.312 1.986 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1OC[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC001580874957 1172557082 /nfs/dbraw/zinc/55/70/82/1172557082.db2.gz QQEATZYFUKNONL-SMDDNHRTSA-N 1 0 296.298 1.881 20 5 CDBDRO COC[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000174726942 379557960 /nfs/dbraw/zinc/55/79/60/379557960.db2.gz QYGJGIBPYSBWKV-LBPRGKRZSA-N 1 0 279.340 1.752 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(CO)CC1 ZINC000449226548 250753035 /nfs/dbraw/zinc/75/30/35/250753035.db2.gz XXZKTAFZZBACGZ-SNVBAGLBSA-N 1 0 250.298 1.640 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C[S@](C)=O ZINC000449237105 250759118 /nfs/dbraw/zinc/75/91/18/250759118.db2.gz AODOMFBREROSSH-BFKGZMGPSA-N 1 0 284.381 1.882 20 5 CDBDRO CCOc1ccc(C(=O)N[C@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000449568757 250907792 /nfs/dbraw/zinc/90/77/92/250907792.db2.gz CYFJMPFELCBVOI-SNVBAGLBSA-N 1 0 295.339 1.851 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000449721245 250985364 /nfs/dbraw/zinc/98/53/64/250985364.db2.gz UAOGFPJQDHXVKD-MNOVXSKESA-N 1 0 292.339 1.250 20 5 CDBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)NC ZINC000449772652 251012455 /nfs/dbraw/zinc/01/24/55/251012455.db2.gz IRXOBTWTEGYDCS-NSHDSACASA-N 1 0 251.286 1.209 20 5 CDBDRO C[C@H](O)CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000450482372 251305251 /nfs/dbraw/zinc/30/52/51/251305251.db2.gz GIKWAIWEOUZLRJ-JTQLQIEISA-N 1 0 250.298 1.724 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000450669100 251395958 /nfs/dbraw/zinc/39/59/58/251395958.db2.gz BAOAZLXAULWACI-TVYUQYBPSA-N 1 0 266.297 1.659 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CNC(C)(C)C[NH+]1CCCC1 ZINC000452100358 251950753 /nfs/dbraw/zinc/95/07/53/251950753.db2.gz ZLVUFKHMENNSRZ-UHFFFAOYSA-N 1 0 281.360 1.292 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000288595470 197122320 /nfs/dbraw/zinc/12/23/20/197122320.db2.gz KAURTZSAXOGASK-ZYHUDNBSSA-N 1 0 277.324 1.599 20 5 CDBDRO COc1ccc(C[NH2+]CC(C)(C)OCCO)cc1[N+](=O)[O-] ZINC000288461176 197084194 /nfs/dbraw/zinc/08/41/94/197084194.db2.gz OAFOQQUHJQSCOH-UHFFFAOYSA-N 1 0 298.339 1.481 20 5 CDBDRO Cc1ccc(NCCCNC(=O)[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000285800648 390184414 /nfs/dbraw/zinc/18/44/14/390184414.db2.gz QHZYGIVLNAHHQJ-NSHDSACASA-N 1 0 294.355 1.416 20 5 CDBDRO C[NH+]1CCN(CCNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000286092791 390191750 /nfs/dbraw/zinc/19/17/50/390191750.db2.gz KLJKEDSRDRJJER-UHFFFAOYSA-N 1 0 282.319 1.393 20 5 CDBDRO Cc1nn(C)c(NCC[N@@H+]2CCCC2(C)C)c1[N+](=O)[O-] ZINC000450950778 390583051 /nfs/dbraw/zinc/58/30/51/390583051.db2.gz NVWNDXQEPDRJAL-UHFFFAOYSA-N 1 0 281.360 1.923 20 5 CDBDRO CCN(C)C(=O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449259863 390829950 /nfs/dbraw/zinc/82/99/50/390829950.db2.gz VJUKAIBDIMKHNM-NSHDSACASA-N 1 0 279.340 1.594 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000516651762 390966261 /nfs/dbraw/zinc/96/62/61/390966261.db2.gz IIFMRMGATFOKGO-YUMQZZPRSA-N 1 0 295.295 1.179 20 5 CDBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411425728 390966595 /nfs/dbraw/zinc/96/65/95/390966595.db2.gz ORMKZBCUPXJJHK-ZWNOBZJWSA-N 1 0 293.323 1.379 20 5 CDBDRO O=[N+]([O-])c1ccccc1CNC[C@H]1C[NH2+]CCCO1 ZINC000415042528 391249891 /nfs/dbraw/zinc/24/98/91/391249891.db2.gz QQELAVNCNCMRPI-GFCCVEGCSA-N 1 0 265.313 1.063 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@H]2O)c(F)c1 ZINC000323169226 391341168 /nfs/dbraw/zinc/34/11/68/391341168.db2.gz LZFBRPOQPVYVDR-VXGBXAGGSA-N 1 0 254.261 1.737 20 5 CDBDRO COc1ccc(NC(=O)NC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000415451498 391448964 /nfs/dbraw/zinc/44/89/64/391448964.db2.gz XIYGPSHJIMPMSR-JTQLQIEISA-N 1 0 294.311 1.462 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)CC[NH3+] ZINC000415502812 391467607 /nfs/dbraw/zinc/46/76/07/391467607.db2.gz OEAQSTRORHYBEI-MRVPVSSYSA-N 1 0 282.300 1.462 20 5 CDBDRO C[C@@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000192766739 533658830 /nfs/dbraw/zinc/65/88/30/533658830.db2.gz IOUYUXVSNBEEQU-SNVBAGLBSA-N 1 0 250.298 1.940 20 5 CDBDRO CO[C@H](C)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000248419333 391626956 /nfs/dbraw/zinc/62/69/56/391626956.db2.gz LACBIKVMHQCCDF-GHMZBOCLSA-N 1 0 280.328 1.511 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOCCO ZINC000449062437 391671637 /nfs/dbraw/zinc/67/16/37/391671637.db2.gz JMSDADRKKQOPDA-LLVKDONJSA-N 1 0 268.313 1.124 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](C[N@H+](C)CC)C1 ZINC000192636288 391724551 /nfs/dbraw/zinc/72/45/51/391724551.db2.gz AEHBAKZGGUHOAI-GFCCVEGCSA-N 1 0 295.387 1.898 20 5 CDBDRO CC[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+](C)C ZINC000152645925 391780546 /nfs/dbraw/zinc/78/05/46/391780546.db2.gz KSDBAFUDHTVTTQ-CQSZACIVSA-N 1 0 291.351 1.820 20 5 CDBDRO CO[C@@H]1C[NH+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1OC ZINC000487987900 391930559 /nfs/dbraw/zinc/93/05/59/391930559.db2.gz LZPJYACIVMFSSQ-ZIAGYGMSSA-N 1 0 280.324 1.483 20 5 CDBDRO COc1c(C(=O)NCC2([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000416306555 391984812 /nfs/dbraw/zinc/98/48/12/391984812.db2.gz GQTYRMDRHUYGRM-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000237228634 131015772 /nfs/dbraw/zinc/01/57/72/131015772.db2.gz OINLWJXCBOWLFJ-LLVKDONJSA-N 1 0 293.323 1.184 20 5 CDBDRO Cc1c(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000261739833 131166067 /nfs/dbraw/zinc/16/60/67/131166067.db2.gz RZTDJCQFWFOLMF-NEPJUHHUSA-N 1 0 289.335 1.585 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000261768246 131168092 /nfs/dbraw/zinc/16/80/92/131168092.db2.gz VPISRVNCOMFZNB-STQMWFEESA-N 1 0 289.335 1.727 20 5 CDBDRO O=C(COc1ccccc1[N+](=O)[O-])NCC[C@H]1CC[NH2+]C1 ZINC000262601622 131238972 /nfs/dbraw/zinc/23/89/72/131238972.db2.gz XPCDCZPBOYGBEX-LLVKDONJSA-N 1 0 293.323 1.089 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000262726154 131256364 /nfs/dbraw/zinc/25/63/64/131256364.db2.gz HFMGGVBTQFTMLX-VXNVDRBHSA-N 1 0 269.326 1.384 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000262900850 131272125 /nfs/dbraw/zinc/27/21/25/131272125.db2.gz XQSKKLXZHLLROE-GXFFZTMASA-N 1 0 277.324 1.631 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[N@H+](C)C1CC1 ZINC000263933332 131363665 /nfs/dbraw/zinc/36/36/65/131363665.db2.gz DNRGXDBTTUMZDW-QMMMGPOBSA-N 1 0 266.301 1.135 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596091587 392621133 /nfs/dbraw/zinc/62/11/33/392621133.db2.gz OACXKFHWMXVQQG-MRVPVSSYSA-N 1 0 252.274 1.202 20 5 CDBDRO COCCCC[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000419392318 392891091 /nfs/dbraw/zinc/89/10/91/392891091.db2.gz YGUMHYMHNMWEBW-UHFFFAOYSA-N 1 0 256.306 1.150 20 5 CDBDRO CC1(C)[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@H]2CCO[C@@H]21 ZINC000521698070 392868586 /nfs/dbraw/zinc/86/85/86/392868586.db2.gz DUNBMDHYKAIORH-UTUOFQBUSA-N 1 0 280.328 1.194 20 5 CDBDRO CC(C)(NC(=O)NCC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000418297767 392879328 /nfs/dbraw/zinc/87/93/28/392879328.db2.gz LGFWYSWPEOHCQT-UHFFFAOYSA-N 1 0 266.301 1.088 20 5 CDBDRO Cc1nc(N2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000268493010 132017233 /nfs/dbraw/zinc/01/72/33/132017233.db2.gz ODHSZJXUOUABQP-UHFFFAOYSA-N 1 0 276.340 1.830 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCCO[C@H](C[NH3+])C1 ZINC000313344051 392944890 /nfs/dbraw/zinc/94/48/90/392944890.db2.gz DSKYVRJEMCFFFW-NWDGAFQWSA-N 1 0 279.340 1.705 20 5 CDBDRO C[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000269205107 132131016 /nfs/dbraw/zinc/13/10/16/132131016.db2.gz LPBOKIRPHKCATC-QWRGUYRKSA-N 1 0 292.339 1.202 20 5 CDBDRO C[C@H](NC[C@H]1C[NH2+]CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000423486333 392963469 /nfs/dbraw/zinc/96/34/69/392963469.db2.gz WIECRKWQPQWHIE-SMDDNHRTSA-N 1 0 278.356 1.149 20 5 CDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[NH3+])cc1OC ZINC000194929906 393018379 /nfs/dbraw/zinc/01/83/79/393018379.db2.gz ICFSGRLPMGROHV-QMMMGPOBSA-N 1 0 297.311 1.079 20 5 CDBDRO CCc1ccc(C(=O)NC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000194933739 393020461 /nfs/dbraw/zinc/02/04/61/393020461.db2.gz BHCWTOGZZGCQOZ-MRVPVSSYSA-N 1 0 251.286 1.234 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(C)(C)C[NH3+] ZINC000429976116 393088414 /nfs/dbraw/zinc/08/84/14/393088414.db2.gz SJPMAEUGQCXMTN-UHFFFAOYSA-N 1 0 281.312 1.205 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(N)=O)CC1 ZINC000430198816 393090506 /nfs/dbraw/zinc/09/05/06/393090506.db2.gz AFNBGSLDMAPXBW-UHFFFAOYSA-N 1 0 293.323 1.301 20 5 CDBDRO CC[N@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430238651 393095517 /nfs/dbraw/zinc/09/55/17/393095517.db2.gz QTJZDAFKUGNMJT-UHFFFAOYSA-N 1 0 268.313 1.808 20 5 CDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[NH2+]CC1 ZINC000430963851 393107052 /nfs/dbraw/zinc/10/70/52/393107052.db2.gz WQAVQXMXSFRRJL-NSHDSACASA-N 1 0 292.339 1.217 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)N(C)C ZINC000449107129 393130157 /nfs/dbraw/zinc/13/01/57/393130157.db2.gz OLXKPEWVHTZFSQ-LLVKDONJSA-N 1 0 279.340 1.594 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000449638799 393137799 /nfs/dbraw/zinc/13/77/99/393137799.db2.gz MBUMUGDNXAIALW-GXSJLCMTSA-N 1 0 295.314 1.981 20 5 CDBDRO C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000330982164 393145616 /nfs/dbraw/zinc/14/56/16/393145616.db2.gz FFZUNMKHAJLXLR-AXFHLTTASA-N 1 0 268.317 1.245 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)cc1[N+](=O)[O-] ZINC000090023474 139681558 /nfs/dbraw/zinc/68/15/58/139681558.db2.gz OSZBYGQNRDPITK-LLVKDONJSA-N 1 0 291.307 1.140 20 5 CDBDRO Cc1nn(C)c(N2CC[C@@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000131683753 139840924 /nfs/dbraw/zinc/84/09/24/139840924.db2.gz XWNHYSKFWPTTES-LBPRGKRZSA-N 1 0 293.371 1.559 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000132484105 139853555 /nfs/dbraw/zinc/85/35/55/139853555.db2.gz CTJVYXZYMXZRRA-MNOVXSKESA-N 1 0 262.313 1.629 20 5 CDBDRO Cc1ccc(C(=O)N(C)[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000159865530 139906908 /nfs/dbraw/zinc/90/69/08/139906908.db2.gz IKKKSFNYHLJPRT-CYBMUJFWSA-N 1 0 277.324 1.713 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC([C@@H]3CCCO3)CC2)n1 ZINC000189206964 140110080 /nfs/dbraw/zinc/11/00/80/140110080.db2.gz CKTSKKWZSSGEET-ZDUSSCGKSA-N 1 0 294.355 1.682 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NCCOCC[NH+](C)C ZINC000226738130 140181161 /nfs/dbraw/zinc/18/11/61/140181161.db2.gz VWHDQGBKLYGAJI-UHFFFAOYSA-N 1 0 268.317 1.288 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000231855936 140219451 /nfs/dbraw/zinc/21/94/51/140219451.db2.gz WADOAADCJFWNHZ-GFCCVEGCSA-N 1 0 277.324 1.519 20 5 CDBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235374067 140235032 /nfs/dbraw/zinc/23/50/32/140235032.db2.gz BNQLKASMBRFKOH-NXEZZACHSA-N 1 0 299.352 1.014 20 5 CDBDRO COc1ccc(CN2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000261600233 140360913 /nfs/dbraw/zinc/36/09/13/140360913.db2.gz BMDHLXPAFJDGTG-HNNXBMFYSA-N 1 0 291.351 1.789 20 5 CDBDRO C[NH2+]C[C@H](C)CNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000129534122 147632012 /nfs/dbraw/zinc/63/20/12/147632012.db2.gz MGBISXOKNKOUTN-VIFPVBQESA-N 1 0 253.302 1.871 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN(C)[C@@H](C[NH3+])C1CC1 ZINC000160065030 147706941 /nfs/dbraw/zinc/70/69/41/147706941.db2.gz BFCXVWIUIQPHPO-ZDUSSCGKSA-N 1 0 279.340 1.773 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)n1 ZINC000176213433 148028796 /nfs/dbraw/zinc/02/87/96/148028796.db2.gz PKIBTCJTQFIPNQ-NSHDSACASA-N 1 0 290.327 1.394 20 5 CDBDRO CC[NH+](CC)[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176285277 148034400 /nfs/dbraw/zinc/03/44/00/148034400.db2.gz FBRCTLMXUVUXCV-GFCCVEGCSA-N 1 0 281.360 1.207 20 5 CDBDRO O=C(C[C@H]1CCC[NH2+]1)NCCNc1ccccc1[N+](=O)[O-] ZINC000178344363 148051918 /nfs/dbraw/zinc/05/19/18/148051918.db2.gz RBIPIQBNURNVJF-LLVKDONJSA-N 1 0 292.339 1.265 20 5 CDBDRO CC1(CNC(=O)c2cccc([N+](=O)[O-])c2N)CC[NH2+]CC1 ZINC000181285037 148189537 /nfs/dbraw/zinc/18/95/37/148189537.db2.gz HTKAEFBZTRYQSY-UHFFFAOYSA-N 1 0 292.339 1.297 20 5 CDBDRO COc1ccc(CN[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000262142710 149026344 /nfs/dbraw/zinc/02/63/44/149026344.db2.gz OSGULKYHSVKVFU-JTQLQIEISA-N 1 0 251.286 1.055 20 5 CDBDRO C[C@H]([NH2+][C@H]1COC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000323315046 149263881 /nfs/dbraw/zinc/26/38/81/149263881.db2.gz SDBALAKOYFRCHE-KPXOXKRLSA-N 1 0 252.270 1.005 20 5 CDBDRO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1O ZINC000352657650 155328353 /nfs/dbraw/zinc/32/83/53/155328353.db2.gz BIVQGIJSUUITHY-OLZOCXBDSA-N 1 0 293.323 1.379 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000344029758 152395281 /nfs/dbraw/zinc/39/52/81/152395281.db2.gz AQXXZZHEPKAXEV-TZMCWYRMSA-N 1 0 294.355 1.274 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(Cl)o2)c1 ZINC000344890668 152678260 /nfs/dbraw/zinc/67/82/60/152678260.db2.gz OTFFPVGZJWJEOZ-UHFFFAOYSA-N 1 0 270.676 1.828 20 5 CDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH3+])C1 ZINC000346070308 153042805 /nfs/dbraw/zinc/04/28/05/153042805.db2.gz KBUGRJOUULNSJO-MNOVXSKESA-N 1 0 292.339 1.345 20 5 CDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH3+])C1 ZINC000346094127 153050191 /nfs/dbraw/zinc/05/01/91/153050191.db2.gz ZGRYEYGCYNQYII-WDEREUQCSA-N 1 0 292.339 1.345 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000346176966 153084875 /nfs/dbraw/zinc/08/48/75/153084875.db2.gz GBFYFIKJKVBJIA-SECBINFHSA-N 1 0 299.758 1.857 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH2+]C)C1 ZINC000346632835 153250604 /nfs/dbraw/zinc/25/06/04/153250604.db2.gz FEZNYTYMRFQGQG-LBPRGKRZSA-N 1 0 279.340 1.787 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CC[C@H](CO)O1 ZINC000353715135 156035340 /nfs/dbraw/zinc/03/53/40/156035340.db2.gz XHBZREVZCUJCEI-VXGBXAGGSA-N 1 0 266.297 1.224 20 5 CDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000354005538 156220568 /nfs/dbraw/zinc/22/05/68/156220568.db2.gz HHOFLKYARVMKBX-SECBINFHSA-N 1 0 266.301 1.089 20 5 CDBDRO CC(=O)c1ccc(NCCOCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000354046204 156240144 /nfs/dbraw/zinc/24/01/44/156240144.db2.gz BJVVKHSDTHLUEA-UHFFFAOYSA-N 1 0 295.339 1.788 20 5 CDBDRO C[NH+](C)CCN1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000358747812 158011544 /nfs/dbraw/zinc/01/15/44/158011544.db2.gz ZVHMDXSGEHEODC-UHFFFAOYSA-N 1 0 293.371 1.428 20 5 CDBDRO Cc1nc2cc(Cn3cnc([N+](=O)[O-])n3)ccc2[nH]1 ZINC000358865448 158057383 /nfs/dbraw/zinc/05/73/83/158057383.db2.gz YAHIRUIDOHHKEY-UHFFFAOYSA-N 1 0 258.241 1.419 20 5 CDBDRO Cc1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000359472885 158257649 /nfs/dbraw/zinc/25/76/49/158257649.db2.gz MSHJJBPITCNMNI-BETUJISGSA-N 1 0 261.325 1.554 20 5 CDBDRO C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000359814008 158387004 /nfs/dbraw/zinc/38/70/04/158387004.db2.gz ICHXMHRZSGAFIB-BPOWMSRESA-N 1 0 277.324 1.674 20 5 CDBDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000362595463 159190170 /nfs/dbraw/zinc/19/01/70/159190170.db2.gz CYVZXZIQJAKPAY-FZMZJTMJSA-N 1 0 291.351 1.451 20 5 CDBDRO CC(C)C(=O)NCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285268009 196237429 /nfs/dbraw/zinc/23/74/29/196237429.db2.gz QQHXMEQWBWEXEP-SNVBAGLBSA-N 1 0 294.355 1.600 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000040593865 174348055 /nfs/dbraw/zinc/34/80/55/174348055.db2.gz PRZKODBWCBJRGK-NSHDSACASA-N 1 0 277.324 1.666 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C1CC[NH2+]CC1 ZINC000044747917 175243462 /nfs/dbraw/zinc/24/34/62/175243462.db2.gz DHMZULDRQQXGJM-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO CN1CC[NH2+]C[C@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000394756009 270338746 /nfs/dbraw/zinc/33/87/46/270338746.db2.gz AZNFWDQBLKBINA-JTQLQIEISA-N 1 0 268.292 1.049 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420609053 270379436 /nfs/dbraw/zinc/37/94/36/270379436.db2.gz GELBDVVMVRBMAR-UHFFFAOYSA-N 1 0 292.339 1.224 20 5 CDBDRO COCC[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000105790988 274031222 /nfs/dbraw/zinc/03/12/22/274031222.db2.gz OPCQPRHXPACARW-LBPRGKRZSA-N 1 0 279.340 1.752 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261588735 275033937 /nfs/dbraw/zinc/03/39/37/275033937.db2.gz KIJVMFIRSHCRCP-CYBMUJFWSA-N 1 0 265.288 1.924 20 5 CDBDRO CC(C)c1n[nH]c(C(=O)NC[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000355706430 276041400 /nfs/dbraw/zinc/04/14/00/276041400.db2.gz QIGVWVFTXQZLAM-VIFPVBQESA-N 1 0 297.359 1.369 20 5 CDBDRO CC[N@H+](C)C[C@@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000192796705 276073693 /nfs/dbraw/zinc/07/36/93/276073693.db2.gz HITDDBUQCWTWGO-NSHDSACASA-N 1 0 278.356 1.955 20 5 CDBDRO CO[C@](C)([C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000411935208 277357965 /nfs/dbraw/zinc/35/79/65/277357965.db2.gz BCOXPROINYRMPB-GXFFZTMASA-N 1 0 282.344 1.585 20 5 CDBDRO COc1cc(N2CCC[C@H]([NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000227859885 277825459 /nfs/dbraw/zinc/82/54/59/277825459.db2.gz NFJPLLBAZHVUDR-QMMMGPOBSA-N 1 0 269.276 1.670 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418623793 278249203 /nfs/dbraw/zinc/24/92/03/278249203.db2.gz XNKLAMKLRYZRJL-VIFPVBQESA-N 1 0 278.312 1.010 20 5 CDBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000345621405 278253711 /nfs/dbraw/zinc/25/37/11/278253711.db2.gz PFJGMXGJHYPQCK-NSHDSACASA-N 1 0 294.355 1.538 20 5 CDBDRO CC[N@H+](C)CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000080256313 279029356 /nfs/dbraw/zinc/02/93/56/279029356.db2.gz CROKAAGSWCDSMM-UHFFFAOYSA-N 1 0 294.355 1.099 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000090321056 279277597 /nfs/dbraw/zinc/27/75/97/279277597.db2.gz YZRMZHBQAOCQKW-PHIMTYICSA-N 1 0 275.308 1.195 20 5 CDBDRO CC[NH+](CC)CCCCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000195235190 280075564 /nfs/dbraw/zinc/07/55/64/280075564.db2.gz YTRHJOJSJHVOGI-UHFFFAOYSA-N 1 0 297.359 1.030 20 5 CDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[NH2+]C1 ZINC000217462967 280088850 /nfs/dbraw/zinc/08/88/50/280088850.db2.gz HODLDQJFBRIALP-FMFIFOJESA-N 1 0 289.335 1.724 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000237304730 280169859 /nfs/dbraw/zinc/16/98/59/280169859.db2.gz LYXPNTRCIQCUNI-JTQLQIEISA-N 1 0 277.324 1.335 20 5 CDBDRO C[C@]1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000237757984 280186770 /nfs/dbraw/zinc/18/67/70/280186770.db2.gz QKEORMOJSRNOTP-AWEZNQCLSA-N 1 0 292.339 1.123 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000178208353 281011029 /nfs/dbraw/zinc/01/10/29/281011029.db2.gz KAVJOJAPLBXYRQ-LLVKDONJSA-N 1 0 264.329 1.829 20 5 CDBDRO CC[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000531709960 281823188 /nfs/dbraw/zinc/82/31/88/281823188.db2.gz FGXUTRZHGJEITO-LBPRGKRZSA-N 1 0 265.313 1.551 20 5 CDBDRO C[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000532214821 281936081 /nfs/dbraw/zinc/93/60/81/281936081.db2.gz NEJRZSQNRPEVAZ-QWHCGFSZSA-N 1 0 293.367 1.966 20 5 CDBDRO Cc1cc(C(=O)N2CCCO[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000313344620 289430935 /nfs/dbraw/zinc/43/09/35/289430935.db2.gz PSLNDSNBITZUEB-GFCCVEGCSA-N 1 0 293.323 1.093 20 5 CDBDRO COCC[C@@H](CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000547395740 289769620 /nfs/dbraw/zinc/76/96/20/289769620.db2.gz NIXQQDCYEHOXLO-NEPJUHHUSA-N 1 0 282.340 1.951 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1cc(OCC)ccc1[N+](=O)[O-] ZINC000564947616 293467102 /nfs/dbraw/zinc/46/71/02/293467102.db2.gz TXZWCEWJRUZZFT-UHFFFAOYSA-N 1 0 295.339 1.723 20 5 CDBDRO O=C1C[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CN1 ZINC000567178689 293730317 /nfs/dbraw/zinc/73/03/17/293730317.db2.gz NFCINNSDPSRNBV-BXKDBHETSA-N 1 0 275.308 1.308 20 5 CDBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000568512254 294050177 /nfs/dbraw/zinc/05/01/77/294050177.db2.gz REDGVGKOAIIEBT-CABZTGNLSA-N 1 0 275.308 1.482 20 5 CDBDRO Cc1cnc(N2CC[C@@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000569096304 294155242 /nfs/dbraw/zinc/15/52/42/294155242.db2.gz SUBLDBQDBMTWBC-AWEZNQCLSA-N 1 0 276.340 1.878 20 5 CDBDRO CC1CC[NH+](CCn2cc([N+](=O)[O-])cc(F)c2=O)CC1 ZINC000571164950 294380717 /nfs/dbraw/zinc/38/07/17/294380717.db2.gz JMOUHUZNVUHJNW-UHFFFAOYSA-N 1 0 283.303 1.628 20 5 CDBDRO COC[C@H](C)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572511696 294638222 /nfs/dbraw/zinc/63/82/22/294638222.db2.gz MJFUEFVLLZNFFK-NEPJUHHUSA-N 1 0 298.339 1.207 20 5 CDBDRO CC[C@@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000573799798 294888973 /nfs/dbraw/zinc/88/89/73/294888973.db2.gz BXNRTYVBQIGZPA-SNVBAGLBSA-N 1 0 271.704 1.602 20 5 CDBDRO C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000563716938 316360636 /nfs/dbraw/zinc/36/06/36/316360636.db2.gz RKOISJDSASBYRX-UWVGGRQHSA-N 1 0 292.339 1.295 20 5 CDBDRO CC[NH+](CC)CCn1cc([N+](=O)[O-])cc(F)c1=O ZINC000576823092 317213639 /nfs/dbraw/zinc/21/36/39/317213639.db2.gz NKVXGICDCLVBDN-UHFFFAOYSA-N 1 0 257.265 1.237 20 5 CDBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCO1 ZINC000182387209 323278388 /nfs/dbraw/zinc/27/83/88/323278388.db2.gz NLNVFTCEURETEP-CHWSQXEVSA-N 1 0 295.339 1.304 20 5 CDBDRO Cc1csc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000379279999 323598266 /nfs/dbraw/zinc/59/82/66/323598266.db2.gz QEOHACXVQGDMKK-NSHDSACASA-N 1 0 296.352 1.312 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000382511432 323643955 /nfs/dbraw/zinc/64/39/55/323643955.db2.gz OYEDCZBJAILUQV-APPZFPTMSA-N 1 0 269.326 1.514 20 5 CDBDRO CC(C)[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000399708612 323886821 /nfs/dbraw/zinc/88/68/21/323886821.db2.gz FENNTCSUQALFIH-GXFFZTMASA-N 1 0 279.340 1.830 20 5 CDBDRO CC[C@@H](CCO)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578987494 324073970 /nfs/dbraw/zinc/07/39/70/324073970.db2.gz CIDKZVJRBJHLJQ-AAEUAGOBSA-N 1 0 298.339 1.085 20 5 CDBDRO C[C@H](C(=O)NC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000579427530 324181966 /nfs/dbraw/zinc/18/19/66/324181966.db2.gz MTGQQCNVJVFNDR-NSHDSACASA-N 1 0 291.351 1.909 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000579580818 324221508 /nfs/dbraw/zinc/22/15/08/324221508.db2.gz MYMWKTWHTXKUCZ-RISCZKNCSA-N 1 0 279.340 1.561 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccoc1 ZINC000580065507 324355493 /nfs/dbraw/zinc/35/54/93/324355493.db2.gz ZRPZJQQVCOLKIQ-GFCCVEGCSA-N 1 0 292.291 1.717 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000581896811 324856874 /nfs/dbraw/zinc/85/68/74/324856874.db2.gz ZOTDWFHDAGTFCN-LLVKDONJSA-N 1 0 292.339 1.623 20 5 CDBDRO C[C@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000583370836 325160744 /nfs/dbraw/zinc/16/07/44/325160744.db2.gz VNHRMRDKEZNVNC-JTQLQIEISA-N 1 0 278.312 1.098 20 5 CDBDRO [NH3+]CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000237879903 329695236 /nfs/dbraw/zinc/69/52/36/329695236.db2.gz RFCINOJAYWCXNZ-UHFFFAOYSA-N 1 0 295.342 1.230 20 5 CDBDRO CCCNC(=O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000035009571 519880375 /nfs/dbraw/zinc/88/03/75/519880375.db2.gz CABMKQYHSBNPKZ-UHFFFAOYSA-N 1 0 265.313 1.519 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000054264453 519917059 /nfs/dbraw/zinc/91/70/59/519917059.db2.gz QGAZQFXJLLZNFP-UHFFFAOYSA-N 1 0 251.286 1.324 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000148789048 522071458 /nfs/dbraw/zinc/07/14/58/522071458.db2.gz FUFYEVUJPCGWRO-VIFPVBQESA-N 1 0 265.313 1.489 20 5 CDBDRO CC[C@H]([NH2+]CCOCCO)c1cccc([N+](=O)[O-])c1 ZINC000037010560 522597888 /nfs/dbraw/zinc/59/78/88/522597888.db2.gz JWVYCNSGRHESKX-ZDUSSCGKSA-N 1 0 268.313 1.644 20 5 CDBDRO CN(CC(=O)OCCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000791965345 1162253663 /nfs/dbraw/zinc/25/36/63/1162253663.db2.gz ICONHTSTCYYVCZ-UHFFFAOYSA-N 1 0 295.339 1.526 20 5 CDBDRO [NH3+][C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000417769902 534706986 /nfs/dbraw/zinc/70/69/86/534706986.db2.gz SXLBAEWKTLDQOV-LBPRGKRZSA-N 1 0 292.339 1.174 20 5 CDBDRO COCCN(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000061375989 523608550 /nfs/dbraw/zinc/60/85/50/523608550.db2.gz BSKAABWLLHPTFF-UHFFFAOYSA-N 1 0 267.329 1.263 20 5 CDBDRO C[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000245715389 524475814 /nfs/dbraw/zinc/47/58/14/524475814.db2.gz URHRPWKJXJUPHI-VHSXEESVSA-N 1 0 295.343 1.168 20 5 CDBDRO C[C@@H](C[N@H+](C)CCn1ccc([N+](=O)[O-])n1)c1nccs1 ZINC000183985127 524573870 /nfs/dbraw/zinc/57/38/70/524573870.db2.gz SXEMHWBMDYTLFA-JTQLQIEISA-N 1 0 295.368 1.983 20 5 CDBDRO COc1ccc(NC(=O)[C@@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000157076782 524586268 /nfs/dbraw/zinc/58/62/68/524586268.db2.gz PVBTXPYSWIHZHR-JGVFFNPUSA-N 1 0 267.285 1.525 20 5 CDBDRO C[C@@H]([NH3+])CCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000070317895 524996468 /nfs/dbraw/zinc/99/64/68/524996468.db2.gz OKZIYTRVYCPCRF-SECBINFHSA-N 1 0 251.286 1.338 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000068803085 525487155 /nfs/dbraw/zinc/48/71/55/525487155.db2.gz DMCHJNBQTLJVMV-IUODEOHRSA-N 1 0 292.383 1.491 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)NC2)cc1[N+](=O)[O-] ZINC000111018291 525945530 /nfs/dbraw/zinc/94/55/30/525945530.db2.gz HDNWORNYPLTISM-JQWIXIFHSA-N 1 0 277.324 1.832 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC3=CCCOC3)CC2)n1 ZINC000366032161 527406895 /nfs/dbraw/zinc/40/68/95/527406895.db2.gz VOYDYSCSPTYAAL-UHFFFAOYSA-N 1 0 292.339 1.775 20 5 CDBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)C[C@@H]12 ZINC000185022480 527413481 /nfs/dbraw/zinc/41/34/81/527413481.db2.gz AQJQMGQCSXMBCY-HLTSFMKQSA-N 1 0 281.337 1.466 20 5 CDBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)C(C)C ZINC000304287924 528671323 /nfs/dbraw/zinc/67/13/23/528671323.db2.gz BDRZBCSOXHMTKT-DGCLKSJQSA-N 1 0 284.360 1.519 20 5 CDBDRO CC(C)([NH3+])CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000236634525 535208583 /nfs/dbraw/zinc/20/85/83/535208583.db2.gz VBKWKLUSWQNYOL-UHFFFAOYSA-N 1 0 292.339 1.636 20 5 CDBDRO CC(C)(NC(=O)N[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000418384059 535228323 /nfs/dbraw/zinc/22/83/23/535228323.db2.gz NXOPZGLTENCHHM-NSHDSACASA-N 1 0 292.339 1.491 20 5 CDBDRO CC[NH2+]CCNC(=O)c1c(OCC)cccc1[N+](=O)[O-] ZINC000422779613 535475883 /nfs/dbraw/zinc/47/58/83/535475883.db2.gz FZHNHXLMNSCFNZ-UHFFFAOYSA-N 1 0 281.312 1.333 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000341783126 535848428 /nfs/dbraw/zinc/84/84/28/535848428.db2.gz LQAFCJXRUJRDTO-UHFFFAOYSA-N 1 0 293.367 1.892 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261699227 535968500 /nfs/dbraw/zinc/96/85/00/535968500.db2.gz IJEDCRMQPLGICI-MNOVXSKESA-N 1 0 279.344 1.165 20 5 CDBDRO C[NH+]1CCC(Nc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420590328 536345211 /nfs/dbraw/zinc/34/52/11/536345211.db2.gz SVQQPWUECKYNLB-UHFFFAOYSA-N 1 0 278.312 1.200 20 5 CDBDRO COc1ccc(OCCNCC2([NH3+])CCC2)c([N+](=O)[O-])c1 ZINC000342113885 536849542 /nfs/dbraw/zinc/84/95/42/536849542.db2.gz AWUXQVZXDZGFTQ-UHFFFAOYSA-N 1 0 295.339 1.453 20 5 CDBDRO COc1cccc(N2CC[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000135050745 537125885 /nfs/dbraw/zinc/12/58/85/537125885.db2.gz DLMAPAQHOLQGGU-VIFPVBQESA-N 1 0 251.286 1.388 20 5 CDBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000729841877 574825542 /nfs/dbraw/zinc/82/55/42/574825542.db2.gz NQBWFONIMPPQLN-ZDUSSCGKSA-N 1 0 295.314 1.804 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](CO)C1CC1 ZINC000734165036 575161434 /nfs/dbraw/zinc/16/14/34/575161434.db2.gz SKCBTJXAXAIUBG-MASHWEEQSA-N 1 0 262.309 1.969 20 5 CDBDRO COc1ccc(OCC[NH2+][C@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC000771802024 575613822 /nfs/dbraw/zinc/61/38/22/575613822.db2.gz KLQYJCBVCRDFSC-GFCCVEGCSA-N 1 0 296.323 1.343 20 5 CDBDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000746382884 576773891 /nfs/dbraw/zinc/77/38/91/576773891.db2.gz OZLWERQAYLAWRD-CYBMUJFWSA-N 1 0 293.371 1.413 20 5 CDBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000890881585 617344813 /nfs/dbraw/zinc/34/48/13/617344813.db2.gz AHRYWCPTOQTIHJ-UHFFFAOYSA-N 1 0 294.355 1.650 20 5 CDBDRO COc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)o1 ZINC000893135244 617401805 /nfs/dbraw/zinc/40/18/05/617401805.db2.gz PFSFBHFRQIEWFQ-UHFFFAOYSA-N 1 0 266.257 1.183 20 5 CDBDRO Cc1ccc(CNC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000892537451 617485106 /nfs/dbraw/zinc/48/51/06/617485106.db2.gz UYRMENRIYPPCJU-UHFFFAOYSA-N 1 0 278.312 1.018 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@H]2CCCOCC2)c1[N+](=O)[O-] ZINC000893311040 617552015 /nfs/dbraw/zinc/55/20/15/617552015.db2.gz WRXRGSHMSLTTAY-NSHDSACASA-N 1 0 296.323 1.968 20 5 CDBDRO CC(C)[N@H+](C)CCCNc1c([N+](=O)[O-])cnn1C ZINC000891789570 617591565 /nfs/dbraw/zinc/59/15/65/617591565.db2.gz PAMJXJWRIRFSOO-UHFFFAOYSA-N 1 0 255.322 1.471 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000892687905 617592474 /nfs/dbraw/zinc/59/24/74/617592474.db2.gz VIPTZKOSKQRAQG-GFCCVEGCSA-N 1 0 293.371 1.641 20 5 CDBDRO COCC[C@@H](C)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892784142 617745017 /nfs/dbraw/zinc/74/50/17/617745017.db2.gz HAOMJOOWNWWXIF-SECBINFHSA-N 1 0 284.312 1.824 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000893874300 618122154 /nfs/dbraw/zinc/12/21/54/618122154.db2.gz VVQQICUGRGEHSH-SNVBAGLBSA-N 1 0 295.314 1.866 20 5 CDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000893941938 618205982 /nfs/dbraw/zinc/20/59/82/618205982.db2.gz XPBGCGXBULUPAU-IUCAKERBSA-N 1 0 293.352 1.444 20 5 CDBDRO COc1ccc(C(=O)NC[C@H]2CCN2C)cc1[N+](=O)[O-] ZINC000928571902 619418364 /nfs/dbraw/zinc/41/83/64/619418364.db2.gz DVCZMIWOCPTEII-SNVBAGLBSA-N 1 0 279.296 1.037 20 5 CDBDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000895328484 619566048 /nfs/dbraw/zinc/56/60/48/619566048.db2.gz GNBIGCOIPBLBQE-MVOUDAGVSA-N 1 0 292.335 1.426 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H](O)C2CC2)c(F)c1 ZINC000898204691 621361685 /nfs/dbraw/zinc/36/16/85/621361685.db2.gz YVAJIYXDYXIPCC-CYBMUJFWSA-N 1 0 268.288 1.985 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@]3(C2)CCCC[NH2+]3)nc1 ZINC000900404422 623007656 /nfs/dbraw/zinc/00/76/56/623007656.db2.gz VNFIIMQPAUTBFX-LBPRGKRZSA-N 1 0 263.301 1.107 20 5 CDBDRO C[N@H+](CC(=O)N1CCc2c1cccc2[N+](=O)[O-])C1CCC1 ZINC000900771229 623458631 /nfs/dbraw/zinc/45/86/31/623458631.db2.gz QSYJLKHFMKBCCT-UHFFFAOYSA-N 1 0 289.335 1.968 20 5 CDBDRO COC[C@@H]1C[NH2+]CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000903874967 626128693 /nfs/dbraw/zinc/12/86/93/626128693.db2.gz BBBPKRLNVJPRLF-AWEZNQCLSA-N 1 0 279.340 1.058 20 5 CDBDRO O=[N+]([O-])CCN[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000905090945 626605498 /nfs/dbraw/zinc/60/54/98/626605498.db2.gz WGVBRFCIITVUTG-STQMWFEESA-N 1 0 250.298 1.773 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000905134575 626648700 /nfs/dbraw/zinc/64/87/00/626648700.db2.gz NMSRRCMTUUXVDA-UHFFFAOYSA-N 1 0 267.285 1.784 20 5 CDBDRO O=C1C[C@H]([NH2+]CC[N+](=O)[O-])CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000905146950 626658021 /nfs/dbraw/zinc/65/80/21/626658021.db2.gz UHEKHPLZAVBLSX-MELADBBJSA-N 1 0 289.335 1.010 20 5 CDBDRO O=C(Cc1ccccc1)N1CCC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905253307 626706414 /nfs/dbraw/zinc/70/64/14/626706414.db2.gz FSKIJQMPZRQVOH-CQSZACIVSA-N 1 0 291.351 1.086 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000911657575 629403155 /nfs/dbraw/zinc/40/31/55/629403155.db2.gz WIHRXMZJAWZKRV-BNOWGMLFSA-N 1 0 289.335 1.519 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911755207 629474379 /nfs/dbraw/zinc/47/43/79/629474379.db2.gz PWSYHRHYJHXCBQ-YUTCNCBUSA-N 1 0 289.335 1.567 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911764706 629481955 /nfs/dbraw/zinc/48/19/55/629481955.db2.gz OPNWQSMIMSXBRS-NEPJUHHUSA-N 1 0 277.324 1.552 20 5 CDBDRO O=[N+]([O-])c1ccnn1CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000151960217 630819491 /nfs/dbraw/zinc/81/94/91/630819491.db2.gz KMTKXGQRTNTCFY-CYBMUJFWSA-N 1 0 293.371 1.699 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000917321974 632198108 /nfs/dbraw/zinc/19/81/08/632198108.db2.gz XHLJETXLHQKOGO-SECBINFHSA-N 1 0 271.704 1.504 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]C2CC(O)C2)c([N+](=O)[O-])c1 ZINC001170298306 1162328711 /nfs/dbraw/zinc/32/87/11/1162328711.db2.gz IRHUYVHCAFSGFQ-OIKLOGQESA-N 1 0 280.324 1.647 20 5 CDBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001170334542 1162338287 /nfs/dbraw/zinc/33/82/87/1162338287.db2.gz GOZPWXKGEVUOKY-WCQYABFASA-N 1 0 294.351 1.991 20 5 CDBDRO Cc1c[n+]([O-])c(-n2ccc3cc(C[NH3+])cnc32)cc1[N+](=O)[O-] ZINC001167305207 1158577040 /nfs/dbraw/zinc/57/70/40/1158577040.db2.gz SMWLYDUEHFQSJB-UHFFFAOYSA-N 1 0 299.290 1.334 20 5 CDBDRO Cc1c(F)cc([N+](=O)[O-])cc1-n1ccc(C[NH3+])cc1=N ZINC001167693181 1159458793 /nfs/dbraw/zinc/45/87/93/1159458793.db2.gz AYQSXXQAJQEDBV-UHFFFAOYSA-N 1 0 276.271 1.771 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[NH2+][C@H](C)C1 ZINC001155095295 1161955148 /nfs/dbraw/zinc/95/51/48/1161955148.db2.gz MKHBKXBCQSRTND-NXEZZACHSA-N 1 0 250.302 1.708 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H]2COc3ccccc3O2)C1 ZINC001168966581 1161995645 /nfs/dbraw/zinc/99/56/45/1161995645.db2.gz JOGVXOUUCTYKEN-FRRDWIJNSA-N 1 0 292.335 1.861 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](CO)c2ccc(O)cc2)C1 ZINC001169000754 1161997061 /nfs/dbraw/zinc/99/70/61/1161997061.db2.gz BHQHVQSMUGQVEN-QKCSRTOESA-N 1 0 280.324 1.461 20 5 CDBDRO CC(C)(O)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000879626915 1166387797 /nfs/dbraw/zinc/38/77/97/1166387797.db2.gz SDOGZIDIZWKFKL-UHFFFAOYSA-N 1 0 282.344 1.274 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001155616138 1167259683 /nfs/dbraw/zinc/25/96/83/1167259683.db2.gz ATALRZPYAVBJOI-SMDDNHRTSA-N 1 0 292.339 1.621 20 5 CDBDRO CC[C@@]1(C(=O)Nc2ncc([N+](=O)[O-])cc2OC)CC[NH2+]C1 ZINC001577201091 1171619860 /nfs/dbraw/zinc/61/98/60/1171619860.db2.gz FFBJVPSYOTUYNJ-CYBMUJFWSA-N 1 0 294.311 1.327 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000070175052 1171646099 /nfs/dbraw/zinc/64/60/99/1171646099.db2.gz PEQGDQOHQSJHDT-NXEZZACHSA-N 1 0 250.302 1.553 20 5 CDBDRO Cc1c(CN[C@]2(CO)CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC001579534745 1172207748 /nfs/dbraw/zinc/20/77/48/1172207748.db2.gz SAPWTCCEIAXKHL-CQSZACIVSA-N 1 0 279.340 1.107 20 5 CDBDRO [NH3+][C@@H]1C[C@@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001580397675 1172422812 /nfs/dbraw/zinc/42/28/12/1172422812.db2.gz XLIWIDQBZCLWPA-VHSXEESVSA-N 1 0 283.715 1.254 20 5 CDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1CC[NH2+]C[C@H]1F ZINC001580574551 1172472286 /nfs/dbraw/zinc/47/22/86/1172472286.db2.gz SEERHTDPAMREMS-MNOVXSKESA-N 1 0 299.277 1.093 20 5 CDBDRO C[N@@H+]1CC[C@H](Nc2cc(F)cc(F)c2[N+](=O)[O-])C1 ZINC000132897569 1175799052 /nfs/dbraw/zinc/79/90/52/1175799052.db2.gz YWHNSURUALBFQY-QMMMGPOBSA-N 1 0 257.240 1.989 20 5 CDBDRO Cc1nn(CN2CC[C@@H]3OCCC[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000246974230 1181016456 /nfs/dbraw/zinc/01/64/56/1181016456.db2.gz NWXUFEFPZUTWED-STQMWFEESA-N 1 0 294.355 1.867 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC3(C2)CCC[NH2+]C3)c1 ZINC001159025312 1163975915 /nfs/dbraw/zinc/97/59/15/1163975915.db2.gz MLHGNIRCVZXGGI-UHFFFAOYSA-N 1 0 298.730 1.071 20 5 CDBDRO COc1ncnc(N2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC001164654020 719333364 /nfs/dbraw/zinc/33/33/64/719333364.db2.gz KRDSWOGJAFVJDL-UHFFFAOYSA-N 1 0 295.343 1.171 20 5 CDBDRO CC(=O)N1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000873140013 1165516143 /nfs/dbraw/zinc/51/61/43/1165516143.db2.gz IHJBSBVQONLTDJ-CYBMUJFWSA-N 1 0 277.324 1.614 20 5 CDBDRO C[NH+](C)C[C@H](O)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000717418368 790351616 /nfs/dbraw/zinc/35/16/16/790351616.db2.gz GLJNDNZTGGPICL-SECBINFHSA-N 1 0 257.265 1.068 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH+](C)C ZINC000935975244 790406682 /nfs/dbraw/zinc/40/66/82/790406682.db2.gz ALUURLXPXITKKN-VIFPVBQESA-N 1 0 297.380 1.997 20 5 CDBDRO CCN(CCO)CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873106927 790454629 /nfs/dbraw/zinc/45/46/29/790454629.db2.gz IHANLXAYXCNGEU-UHFFFAOYSA-N 1 0 281.356 1.307 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000886241236 790484343 /nfs/dbraw/zinc/48/43/43/790484343.db2.gz RRASXEUCCMLGCN-LBPRGKRZSA-N 1 0 277.324 1.869 20 5 CDBDRO Cc1cc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)on1 ZINC000818978788 790725936 /nfs/dbraw/zinc/72/59/36/790725936.db2.gz QDYDPPFHAAIOQW-ZDUSSCGKSA-N 1 0 277.280 1.714 20 5 CDBDRO CN(CCC[NH+](C)C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000828519598 790808248 /nfs/dbraw/zinc/80/82/48/790808248.db2.gz VHYNFMLPYLHZDQ-ZDUSSCGKSA-N 1 0 295.339 1.038 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000132286523 790820148 /nfs/dbraw/zinc/82/01/48/790820148.db2.gz VTTBZJAJGTUDCS-VHSXEESVSA-N 1 0 278.312 1.796 20 5 CDBDRO C[C@H]([NH3+])CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000843356008 790832363 /nfs/dbraw/zinc/83/23/63/790832363.db2.gz AQGKOYJMIKQWPS-NSHDSACASA-N 1 0 264.329 1.064 20 5 CDBDRO CC(C)[N@@H+]1CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000823059094 791063619 /nfs/dbraw/zinc/06/36/19/791063619.db2.gz LGQKWPKANFTEPW-UHFFFAOYSA-N 1 0 285.388 1.765 20 5 CDBDRO [NH3+]C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000165559047 789856326 /nfs/dbraw/zinc/85/63/26/789856326.db2.gz XCPHXRMSEKOFNM-VIFPVBQESA-N 1 0 299.714 1.048 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCOCCF)cc1 ZINC000702546868 789914059 /nfs/dbraw/zinc/91/40/59/789914059.db2.gz MSQBWZGSSKWUGN-LBPRGKRZSA-N 1 0 272.276 1.204 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000089092027 789919131 /nfs/dbraw/zinc/91/91/31/789919131.db2.gz INZKWFMAWOACIV-BXKDBHETSA-N 1 0 299.352 1.001 20 5 CDBDRO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000858586231 789958982 /nfs/dbraw/zinc/95/89/82/789958982.db2.gz HEYIQHYWYMCASY-GHMZBOCLSA-N 1 0 295.339 1.962 20 5 CDBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000063052579 789991243 /nfs/dbraw/zinc/99/12/43/789991243.db2.gz JGOQKYBSTBCINK-UHFFFAOYSA-N 1 0 295.314 1.902 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[NH2+]C2CC2)c1C ZINC000884024586 790050105 /nfs/dbraw/zinc/05/01/05/790050105.db2.gz WGMCZKRRQNYXHG-UHFFFAOYSA-N 1 0 277.324 1.693 20 5 CDBDRO Cc1nccn1CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818989183 790050296 /nfs/dbraw/zinc/05/02/96/790050296.db2.gz KGCFBQTVCPTWIV-CQSZACIVSA-N 1 0 290.323 1.423 20 5 CDBDRO Cc1c(CNC(=O)[C@H]2C[NH2+]CC2(C)C)cccc1[N+](=O)[O-] ZINC000884318264 790062421 /nfs/dbraw/zinc/06/24/21/790062421.db2.gz RKWPYKMZNCZTER-GFCCVEGCSA-N 1 0 291.351 1.765 20 5 CDBDRO CON(C)C(=O)[C@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000858319969 790115605 /nfs/dbraw/zinc/11/56/05/790115605.db2.gz LQWZHYXXIDVHOF-IOCXFXADSA-N 1 0 293.323 1.606 20 5 CDBDRO CC[N@H+](CCC(=O)NC)CCc1ccc([N+](=O)[O-])cc1 ZINC000933866914 790239196 /nfs/dbraw/zinc/23/91/96/790239196.db2.gz VNMAVSVZGBAINV-UHFFFAOYSA-N 1 0 279.340 1.595 20 5 CDBDRO C[C@@H]([NH3+])c1cn([C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000881100277 791297619 /nfs/dbraw/zinc/29/76/19/791297619.db2.gz GBKNFPVQVXVVKF-BDAKNGLRSA-N 1 0 261.285 1.815 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@]1(O)CCOC1 ZINC000227135577 791299686 /nfs/dbraw/zinc/29/96/86/791299686.db2.gz DUPDDXVINNWPLM-GFCCVEGCSA-N 1 0 286.715 1.489 20 5 CDBDRO CC[NH+](CC)C[C@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173432862 791697580 /nfs/dbraw/zinc/69/75/80/791697580.db2.gz MRUWVHDKIKRLHQ-GFCCVEGCSA-N 1 0 281.360 1.413 20 5 CDBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)CO ZINC000830703550 791870089 /nfs/dbraw/zinc/87/00/89/791870089.db2.gz DGAJAQQKHHTKLM-ZDUSSCGKSA-N 1 0 282.340 1.579 20 5 CDBDRO COCCOCC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873023139 791879810 /nfs/dbraw/zinc/87/98/10/791879810.db2.gz UJNFLFFAQXKFOW-UHFFFAOYSA-N 1 0 282.340 1.964 20 5 CDBDRO CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001025640983 791888117 /nfs/dbraw/zinc/88/81/17/791888117.db2.gz YQZWVOPGVJNYEF-WDNDVIMCSA-N 1 0 275.308 1.161 20 5 CDBDRO Cc1ccc(NC(=O)C[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000123560944 791924052 /nfs/dbraw/zinc/92/40/52/791924052.db2.gz QYVUOPWKNZMWOH-LLVKDONJSA-N 1 0 263.297 1.969 20 5 CDBDRO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000858582683 791936874 /nfs/dbraw/zinc/93/68/74/791936874.db2.gz SEEPMYYJJLWVSK-MNOVXSKESA-N 1 0 295.339 1.962 20 5 CDBDRO COC[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582753 792039533 /nfs/dbraw/zinc/03/95/33/792039533.db2.gz BPFORVJJVABCBI-FZMZJTMJSA-N 1 0 280.324 1.597 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)C[C@@H]2CCCO2)cs1 ZINC000886228737 792145068 /nfs/dbraw/zinc/14/50/68/792145068.db2.gz FKWZLMJJYVOXCB-QWRGUYRKSA-N 1 0 286.353 1.676 20 5 CDBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC1(C)COC1 ZINC000859572226 792306410 /nfs/dbraw/zinc/30/64/10/792306410.db2.gz YIRWLSNADFULGW-ZDUSSCGKSA-N 1 0 280.324 1.597 20 5 CDBDRO Cc1ccc(CNC(=O)CC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000867996144 792639051 /nfs/dbraw/zinc/63/90/51/792639051.db2.gz RBOQXRCXJAYYER-UHFFFAOYSA-N 1 0 277.324 1.662 20 5 CDBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CCN1CCOC1=O ZINC000801600129 792708490 /nfs/dbraw/zinc/70/84/90/792708490.db2.gz LTJMAFRVDUCQMY-UHFFFAOYSA-N 1 0 293.323 1.521 20 5 CDBDRO C[C@@H]([NH2+]CCc1cncn1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788756567 792812851 /nfs/dbraw/zinc/81/28/51/792812851.db2.gz XGPZVAUECHFIOD-SNVBAGLBSA-N 1 0 289.339 1.804 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)c1 ZINC000883050931 792813715 /nfs/dbraw/zinc/81/37/15/792813715.db2.gz HLZNKLIOPSSIAJ-ZSBIGDGJSA-N 1 0 264.329 1.960 20 5 CDBDRO Cc1nn(CCC(=O)OCCC[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000791826469 792819168 /nfs/dbraw/zinc/81/91/68/792819168.db2.gz ONXYYMQMVLNPFH-UHFFFAOYSA-N 1 0 298.343 1.293 20 5 CDBDRO [NH3+]C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000702054342 792864427 /nfs/dbraw/zinc/86/44/27/792864427.db2.gz DCGVNEXTQPSFGG-MRVPVSSYSA-N 1 0 283.715 1.669 20 5 CDBDRO CC[NH2+]CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000844203547 793037717 /nfs/dbraw/zinc/03/77/17/793037717.db2.gz FMDOBAOKMPAPKJ-UHFFFAOYSA-N 1 0 277.324 1.695 20 5 CDBDRO Cc1nn(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000840151763 793092962 /nfs/dbraw/zinc/09/29/62/793092962.db2.gz BLTWTGCGJWGTGX-GFCCVEGCSA-N 1 0 281.360 1.472 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702052673 793177887 /nfs/dbraw/zinc/17/78/87/793177887.db2.gz LGOFCARAOCUIFK-MRVPVSSYSA-N 1 0 285.731 1.976 20 5 CDBDRO [NH3+]C1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000091843285 793188174 /nfs/dbraw/zinc/18/81/74/793188174.db2.gz HNTHJMHWIPHPQB-UHFFFAOYSA-N 1 0 278.312 1.986 20 5 CDBDRO COc1cc(N2C[C@H](C)[NH2+]C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000261646446 793272455 /nfs/dbraw/zinc/27/24/55/793272455.db2.gz NXNQHALQBHVSKM-DTWKUNHWSA-N 1 0 283.303 1.929 20 5 CDBDRO COCC[C@H](C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819367623 793709834 /nfs/dbraw/zinc/70/98/34/793709834.db2.gz ARVMJHFSVGMSEI-SMDDNHRTSA-N 1 0 282.340 1.890 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](c2ccncc2)C2CC2)n1 ZINC000934690238 793767519 /nfs/dbraw/zinc/76/75/19/793767519.db2.gz AHHIVMYVLVDJHD-AWEZNQCLSA-N 1 0 287.323 1.927 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000841454570 793785040 /nfs/dbraw/zinc/78/50/40/793785040.db2.gz DAMMWLIKXRDGCT-UHFFFAOYSA-N 1 0 296.302 1.140 20 5 CDBDRO COc1cc(CN(C)C[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000863653316 793805481 /nfs/dbraw/zinc/80/54/81/793805481.db2.gz HTLOGDJVOUJOAX-SECBINFHSA-N 1 0 283.328 1.391 20 5 CDBDRO [NH3+]C1CCN(CCNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000721987022 793815565 /nfs/dbraw/zinc/81/55/65/793815565.db2.gz PTIXNBUGYHZRFR-UHFFFAOYSA-N 1 0 299.762 1.478 20 5 CDBDRO C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000050201767 793870218 /nfs/dbraw/zinc/87/02/18/793870218.db2.gz KXZBZMUCFFCPHB-UHFFFAOYSA-N 1 0 278.312 1.001 20 5 CDBDRO CN(CCCF)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000887140166 794024228 /nfs/dbraw/zinc/02/42/28/794024228.db2.gz SUSUQKSAVMJSSG-UHFFFAOYSA-N 1 0 295.314 1.775 20 5 CDBDRO CO[C@H](C[NH3+])Cc1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000823268967 794232298 /nfs/dbraw/zinc/23/22/98/794232298.db2.gz ADHQLZBNAZNFGW-NSHDSACASA-N 1 0 292.295 1.469 20 5 CDBDRO C[C@H]1COC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000932495075 794276717 /nfs/dbraw/zinc/27/67/17/794276717.db2.gz XIXRAZHPVPNNAJ-GWCFXTLKSA-N 1 0 293.323 1.182 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1C[C@H](CO)C1 ZINC000927145073 794371359 /nfs/dbraw/zinc/37/13/59/794371359.db2.gz NKFGOTTXGFOCCM-KWBADKCTSA-N 1 0 262.309 1.943 20 5 CDBDRO C[C@H](CN1CCOCC1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000036932581 794534434 /nfs/dbraw/zinc/53/44/34/794534434.db2.gz GIAXIRQPSYMGSM-GFCCVEGCSA-N 1 0 279.340 1.405 20 5 CDBDRO CC(C)[NH+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000822428120 794813022 /nfs/dbraw/zinc/81/30/22/794813022.db2.gz FBLXQRKIXWZBRZ-UHFFFAOYSA-N 1 0 271.361 1.375 20 5 CDBDRO Cn1cc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000886571906 794950637 /nfs/dbraw/zinc/95/06/37/794950637.db2.gz ODWVUQIFTHHYBV-AOOOYVTPSA-N 1 0 268.342 1.123 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@](C)([NH3+])C2)c1C ZINC000886923266 794951309 /nfs/dbraw/zinc/95/13/09/794951309.db2.gz TUFAXLCEZLOOAW-AWEZNQCLSA-N 1 0 277.324 1.775 20 5 CDBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1C[C@@H](O)C1 ZINC000859971748 795070327 /nfs/dbraw/zinc/07/03/27/795070327.db2.gz NNCJCLHYFCCYNU-DDTOSNHZSA-N 1 0 280.324 1.331 20 5 CDBDRO CC(C)[N@@H+]1CCCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885984156 795096374 /nfs/dbraw/zinc/09/63/74/795096374.db2.gz YWJZEPCWOWXLED-UHFFFAOYSA-N 1 0 278.356 1.906 20 5 CDBDRO COc1cccc(NC[C@@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000135051050 795125289 /nfs/dbraw/zinc/12/52/89/795125289.db2.gz YCKXWZYWPQPSSM-VIFPVBQESA-N 1 0 251.286 1.767 20 5 CDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H](C)[C@H](C)[NH3+])n2)n1C ZINC000823093239 795257489 /nfs/dbraw/zinc/25/74/89/795257489.db2.gz BPOVGHGBLDROGO-RITPCOANSA-N 1 0 280.288 1.137 20 5 CDBDRO C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[N@@H+]1C ZINC000886091487 795259225 /nfs/dbraw/zinc/25/92/25/795259225.db2.gz BBMAVLYHLBTEML-SNVBAGLBSA-N 1 0 250.302 1.126 20 5 CDBDRO CC[C@](C)(CC(=O)OC)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000878270191 795277156 /nfs/dbraw/zinc/27/71/56/795277156.db2.gz WFCMEDXFHSSGOT-CYBMUJFWSA-N 1 0 298.343 1.421 20 5 CDBDRO C[NH2+][C@@H](C)c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000848618622 795326034 /nfs/dbraw/zinc/32/60/34/795326034.db2.gz USOOALHJZADCPU-LURJTMIESA-N 1 0 263.257 1.507 20 5 CDBDRO C[N@@H+]1CCC[C@]2(CCN(Cn3nccc3[N+](=O)[O-])C2)C1 ZINC000840085200 795375079 /nfs/dbraw/zinc/37/50/79/795375079.db2.gz BPHVVQNZGQWFFI-ZDUSSCGKSA-N 1 0 279.344 1.167 20 5 CDBDRO C[C@@H]([NH3+])CN(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000311205004 795387576 /nfs/dbraw/zinc/38/75/76/795387576.db2.gz MEFCVCUWOFKQKB-MRVPVSSYSA-N 1 0 252.274 1.406 20 5 CDBDRO COC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815579841 795420889 /nfs/dbraw/zinc/42/08/89/795420889.db2.gz WLHJBWFVKJZAMG-TVQRCGJNSA-N 1 0 283.328 1.225 20 5 CDBDRO C[NH2+]CCCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817941262 795460893 /nfs/dbraw/zinc/46/08/93/795460893.db2.gz QNUNTLSPXIJHQY-SECBINFHSA-N 1 0 252.318 1.437 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]1 ZINC000702055447 795464305 /nfs/dbraw/zinc/46/43/05/795464305.db2.gz KBIWWWYHYUEGRV-QMMMGPOBSA-N 1 0 283.715 1.682 20 5 CDBDRO CC(C)(CCC(=O)NCC12CCC[NH+]1CCC2)[N+](=O)[O-] ZINC000834751659 795544099 /nfs/dbraw/zinc/54/40/99/795544099.db2.gz FLJWQHVCZXMPMW-UHFFFAOYSA-N 1 0 283.372 1.567 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923373700 795581761 /nfs/dbraw/zinc/58/17/61/795581761.db2.gz OZRFVHCVRKMPOG-FIXIBIHLSA-N 1 0 293.367 1.604 20 5 CDBDRO O=[N+]([O-])c1ccc(Cc2noc(C[C@H]3CCC[NH2+]3)n2)nc1 ZINC000843191056 795593741 /nfs/dbraw/zinc/59/37/41/795593741.db2.gz BAHFWENVEDINJT-SECBINFHSA-N 1 0 289.295 1.258 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCOC3CC3)CC2)cc1 ZINC000929154303 795680672 /nfs/dbraw/zinc/68/06/72/795680672.db2.gz KJFYDILFQSSXBZ-UHFFFAOYSA-N 1 0 291.351 1.896 20 5 CDBDRO CN(CCCF)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000887140086 795823484 /nfs/dbraw/zinc/82/34/84/795823484.db2.gz PRTVCEVNASUZQF-UHFFFAOYSA-N 1 0 283.303 1.849 20 5 CDBDRO CCCNC(=[NH2+])NCc1cccc([N+](=O)[O-])c1C ZINC000231865041 795843092 /nfs/dbraw/zinc/84/30/92/795843092.db2.gz KGUPXYWCMQXLIF-UHFFFAOYSA-N 1 0 250.302 1.927 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000853966851 795897213 /nfs/dbraw/zinc/89/72/13/795897213.db2.gz ZGIUMGLDNCFZRP-OAHLLOKOSA-N 1 0 291.351 1.630 20 5 CDBDRO [NH3+][C@]12CCC[C@H]1CN(Cc1cccnc1[N+](=O)[O-])C2 ZINC000886841101 795897857 /nfs/dbraw/zinc/89/78/57/795897857.db2.gz CACAGRLXCFICLS-AAEUAGOBSA-N 1 0 262.313 1.303 20 5 CDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000715109255 796070397 /nfs/dbraw/zinc/07/03/97/796070397.db2.gz LGZVSWPAUINWIJ-OCAPTIKFSA-N 1 0 283.715 1.715 20 5 CDBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000839195528 796303625 /nfs/dbraw/zinc/30/36/25/796303625.db2.gz BTQOQUYEAGJRGA-IINYFYTJSA-N 1 0 290.323 1.713 20 5 CDBDRO O=[N+]([O-])c1ccccc1Cc1noc([C@@]2(F)CC[NH2+]C2)n1 ZINC000843170965 796384062 /nfs/dbraw/zinc/38/40/62/796384062.db2.gz NZRYEOWNCVJTLZ-CYBMUJFWSA-N 1 0 292.270 1.727 20 5 CDBDRO CC(C)[C@@](C)(CO)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886211684 796415548 /nfs/dbraw/zinc/41/55/48/796415548.db2.gz VCPAMBNRCXDPIN-GFCCVEGCSA-N 1 0 253.302 1.486 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC(=O)N(C)C ZINC001173215105 912297020 /nfs/dbraw/zinc/29/70/20/912297020.db2.gz SDTOCJHMOUVLMR-NSHDSACASA-N 1 0 279.340 1.594 20 5 CDBDRO CC[C@@H](O)C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215193 912298357 /nfs/dbraw/zinc/29/83/57/912298357.db2.gz UFILVKFSQOQPGX-ZWNOBZJWSA-N 1 0 252.314 1.886 20 5 CDBDRO C[C@H](O)CC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173219363 912303164 /nfs/dbraw/zinc/30/31/64/912303164.db2.gz BNOZWHCWDCZOPV-QWRGUYRKSA-N 1 0 252.314 1.886 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](CO)C1 ZINC001173226821 912321099 /nfs/dbraw/zinc/32/10/99/912321099.db2.gz LUUYRFIUOPRREA-AAEUAGOBSA-N 1 0 264.325 1.840 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(C(N)=O)CC1 ZINC001173211566 912335804 /nfs/dbraw/zinc/33/58/04/912335804.db2.gz SWFMZAUOPMRWFK-SECBINFHSA-N 1 0 263.297 1.133 20 5 CDBDRO COc1cc(-n2ccc(CC[NH3+])n2)cc([N+](=O)[O-])c1C ZINC001167731506 899502485 /nfs/dbraw/zinc/50/24/85/899502485.db2.gz JGXZPAJKUUBFOZ-UHFFFAOYSA-N 1 0 276.296 1.599 20 5 CDBDRO Cc1cccc(NC(=N)SCC[NH3+])c1[N+](=O)[O-] ZINC001167915299 902203402 /nfs/dbraw/zinc/20/34/02/902203402.db2.gz SRRXPCWLLWMBNK-UHFFFAOYSA-N 1 0 254.315 1.942 20 5 CDBDRO Cc1cnc(CO[C@H]2CC[N@@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC001224182675 909205965 /nfs/dbraw/zinc/20/59/65/909205965.db2.gz KKNKOCXZYLMEQC-NSHDSACASA-N 1 0 265.313 1.827 20 5 CDBDRO C[NH+](C)CCC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001094089762 910322553 /nfs/dbraw/zinc/32/25/53/910322553.db2.gz LHGUMFZLMCUFKX-UHFFFAOYSA-N 1 0 280.328 1.075 20 5 CDBDRO [NH3+]Cc1nccnc1Nc1cccc2ncc([N+](=O)[O-])n21 ZINC001171449148 910661860 /nfs/dbraw/zinc/66/18/60/910661860.db2.gz PPYDZCBZXXNCRY-UHFFFAOYSA-N 1 0 285.267 1.235 20 5 CDBDRO [NH3+]CCCCCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000698078782 910901129 /nfs/dbraw/zinc/90/11/29/910901129.db2.gz OTNCWNDIRRPCOZ-UHFFFAOYSA-N 1 0 254.290 1.172 20 5 CDBDRO O=C(NCC1CC[NH+](CC2CCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001400340 936551540 /nfs/dbraw/zinc/55/15/40/936551540.db2.gz QOQUKEBZDXKWOQ-ZIAGYGMSSA-N 1 0 295.383 1.280 20 5 CDBDRO CCCCNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001154831997 925931718 /nfs/dbraw/zinc/93/17/18/925931718.db2.gz PYUDEICDRYLHHT-UHFFFAOYSA-N 1 0 251.290 1.284 20 5 CDBDRO CC(C)N(CCC[NH3+])c1ncc([N+](=O)[O-])cc1N ZINC001156124287 927314785 /nfs/dbraw/zinc/31/47/85/927314785.db2.gz QHPGAPXVLIPWJE-UHFFFAOYSA-N 1 0 253.306 1.136 20 5 CDBDRO CON(C)CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850476877 927435890 /nfs/dbraw/zinc/43/58/90/927435890.db2.gz BUMQBNFGHFHVGJ-SECBINFHSA-N 1 0 268.317 1.321 20 5 CDBDRO [NH3+][C@H]1CCN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001156228206 927488550 /nfs/dbraw/zinc/48/85/50/927488550.db2.gz CPXXPMICCLQZMU-YFKPBYRVSA-N 1 0 277.111 1.834 20 5 CDBDRO Cc1noc(C)c1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168976179 927559724 /nfs/dbraw/zinc/55/97/24/927559724.db2.gz ZCOCXSRTECMTNN-WDEREUQCSA-N 1 0 253.302 1.826 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCOC(F)(F)F)C1 ZINC001168976053 927560211 /nfs/dbraw/zinc/56/02/11/927560211.db2.gz YXBLLAALXVMALY-JGVFFNPUSA-N 1 0 256.224 1.558 20 5 CDBDRO NC(=[NH2+])N(c1ccccc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168977500 927562660 /nfs/dbraw/zinc/56/26/60/927562660.db2.gz KLJNEJGBORCAGS-PWSUYJOCSA-N 1 0 262.313 1.832 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC001168976289 927563680 /nfs/dbraw/zinc/56/36/80/927563680.db2.gz CJARPENLTNUREW-KGLIPLIRSA-N 1 0 298.383 1.955 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2cn3ccccc3n2)C1 ZINC001168976705 927564135 /nfs/dbraw/zinc/56/41/35/927564135.db2.gz FNCBVSZNNRMEGI-OLZOCXBDSA-N 1 0 288.351 1.912 20 5 CDBDRO C[C@H](Cc1cnccn1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977850 927565345 /nfs/dbraw/zinc/56/53/45/927565345.db2.gz MYMAYGRPXLEXEW-GRYCIOLGSA-N 1 0 264.329 1.443 20 5 CDBDRO O=C1NCc2ccccc2[C@@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168981305 927569171 /nfs/dbraw/zinc/56/91/71/927569171.db2.gz HGFZXZFDSHMAHU-OSMZGAPFSA-N 1 0 289.335 1.393 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(C3CCOCC3)CC2)C1 ZINC001168974399 927597375 /nfs/dbraw/zinc/59/73/75/927597375.db2.gz QCYFEIKNOZTSGN-WCQYABFASA-N 1 0 268.357 1.981 20 5 CDBDRO COC(=O)[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168975858 927599502 /nfs/dbraw/zinc/59/95/02/927599502.db2.gz XQFACRJUQZHXQW-CYDGBPFRSA-N 1 0 284.356 1.753 20 5 CDBDRO [NH3+]Cc1nc2cnccc2n1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169000932 927605373 /nfs/dbraw/zinc/60/53/73/927605373.db2.gz ZPXFUELWZSALRN-UWVGGRQHSA-N 1 0 275.312 1.508 20 5 CDBDRO COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169005922 927609665 /nfs/dbraw/zinc/60/96/65/927609665.db2.gz DHZPEUIQASJJRO-IJLUTSLNSA-N 1 0 270.329 1.317 20 5 CDBDRO C[C@]1(CO)CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169010545 927616227 /nfs/dbraw/zinc/61/62/27/927616227.db2.gz DKLGIDINDVVMKF-IHRRRGAJSA-N 1 0 270.373 1.916 20 5 CDBDRO C[N@H+](CC(=O)OC(C)(C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011935 927617776 /nfs/dbraw/zinc/61/77/76/927617776.db2.gz NTWLCVZNTMZUDU-QWRGUYRKSA-N 1 0 272.345 1.705 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](O)[C@H](F)CC2)C1 ZINC001169013004 927620628 /nfs/dbraw/zinc/62/06/28/927620628.db2.gz SWKWTBGUVXHPFX-WRWGMCAJSA-N 1 0 260.309 1.227 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCN2CCC(F)CC2)C1 ZINC001168988023 927625416 /nfs/dbraw/zinc/62/54/16/927625416.db2.gz MPTUMYAQVKOSAM-DGCLKSJQSA-N 1 0 273.352 1.455 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCC2CCC(O)CC2)C1 ZINC001168988438 927627436 /nfs/dbraw/zinc/62/74/36/927627436.db2.gz SFXNMVJPAHMRNW-CEUNDQEZSA-N 1 0 270.373 1.963 20 5 CDBDRO CC(C)C(=O)N1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168991349 927631839 /nfs/dbraw/zinc/63/18/39/927631839.db2.gz GMBSJTLSXCCJNP-XQQFMLRXSA-N 1 0 283.372 1.278 20 5 CDBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169027002 927633436 /nfs/dbraw/zinc/63/34/36/927633436.db2.gz OQXIVCUSIMZBSI-UPJWGTAASA-N 1 0 283.372 1.232 20 5 CDBDRO COc1cc(-n2c(C)cnc2C[NH3+])cc([N+](=O)[O-])c1C ZINC001169028430 927635715 /nfs/dbraw/zinc/63/57/15/927635715.db2.gz DNCHHFAFYUAFSF-UHFFFAOYSA-N 1 0 276.296 1.865 20 5 CDBDRO O=C1NCCCC12CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169034153 927642028 /nfs/dbraw/zinc/64/20/28/927642028.db2.gz FPLIFFOOWPSDKB-QWHCGFSZSA-N 1 0 295.383 1.424 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](Oc3cnccn3)C2)C1 ZINC001169052447 927669658 /nfs/dbraw/zinc/66/96/58/927669658.db2.gz FXVPMPAWFGRZRO-JHJVBQTASA-N 1 0 292.339 1.375 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1N(C)C(C)(C)C[NH3+] ZINC001170058900 929233060 /nfs/dbraw/zinc/23/30/60/929233060.db2.gz GXRWCISCECWPIO-UHFFFAOYSA-N 1 0 254.290 1.172 20 5 CDBDRO OC[C@H]1C[NH2+]C[C@H]1Nc1cc2cccnc2c2ncccc12 ZINC001170782869 929982527 /nfs/dbraw/zinc/98/25/27/929982527.db2.gz OSAZUNCJZSLGAE-IUODEOHRSA-N 1 0 294.358 1.775 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1C ZINC000884254181 930499233 /nfs/dbraw/zinc/49/92/33/930499233.db2.gz GLQICHMOXXMVOR-ZYHUDNBSSA-N 1 0 291.351 1.939 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1ccc(NC(C)=O)c([N+](=O)[O-])c1 ZINC001170864225 930520642 /nfs/dbraw/zinc/52/06/42/930520642.db2.gz RYALAUKELQNPTR-GFCCVEGCSA-N 1 0 282.300 1.022 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001170866300 930524684 /nfs/dbraw/zinc/52/46/84/930524684.db2.gz UXHGATLCKVNYDG-GFCCVEGCSA-N 1 0 264.285 1.545 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])n[nH]2)C1 ZINC001155044103 937626146 /nfs/dbraw/zinc/62/61/46/937626146.db2.gz WIIVMWDHMQCUMM-RKDXNWHRSA-N 1 0 281.316 1.377 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)nc(NC[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC001155030158 937623216 /nfs/dbraw/zinc/62/32/16/937623216.db2.gz ODFWSGSFOXNFIV-BQBZGAKWSA-N 1 0 274.683 1.755 20 5 CDBDRO O=[N+]([O-])c1cccc(NC[C@]2(F)CCCC[NH2+]C2)n1 ZINC001155116317 937637290 /nfs/dbraw/zinc/63/72/90/937637290.db2.gz XRPJBDFWBIBYLQ-LBPRGKRZSA-N 1 0 268.292 1.884 20 5 CDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC001120356619 937795415 /nfs/dbraw/zinc/79/54/15/937795415.db2.gz XIOVOGOWCDHQIP-VVVCHXIZSA-N 1 0 256.327 1.351 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001121991811 937897365 /nfs/dbraw/zinc/89/73/65/937897365.db2.gz AXQQMWCFJHEVNQ-ZIAGYGMSSA-N 1 0 291.351 1.766 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1ncc([N+](=O)[O-])c(C)c1C ZINC001156039014 938312953 /nfs/dbraw/zinc/31/29/53/938312953.db2.gz KIYLBJLUDMNJCP-UHFFFAOYSA-N 1 0 261.285 1.559 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N(CCC[NH3+])C(C)C)n1 ZINC001156118052 938320647 /nfs/dbraw/zinc/32/06/47/938320647.db2.gz PFXBSOSUWOGNCQ-UHFFFAOYSA-N 1 0 253.306 1.257 20 5 CDBDRO C[C@@H]1CN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)CC[NH2+]1 ZINC001156700025 938407263 /nfs/dbraw/zinc/40/72/63/938407263.db2.gz JKRNDYVYEWYKCR-LLVKDONJSA-N 1 0 299.334 1.850 20 5 CDBDRO [NH3+]CCc1ccn(-c2ncnc3cccc([N+](=O)[O-])c32)n1 ZINC001156904630 938432203 /nfs/dbraw/zinc/43/22/03/938432203.db2.gz FRCVRAVNPOFIOQ-UHFFFAOYSA-N 1 0 284.279 1.225 20 5 CDBDRO Cc1ccnc(N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001157259685 938470204 /nfs/dbraw/zinc/47/02/04/938470204.db2.gz FJPFYHBNHUGPHO-NEPJUHHUSA-N 1 0 276.340 1.829 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H]([NH3+])[C@H]1C ZINC001157731886 938537524 /nfs/dbraw/zinc/53/75/24/938537524.db2.gz GHCHTBFZTBYODM-KCJUWKMLSA-N 1 0 294.311 1.092 20 5 CDBDRO Nc1cc(N2CC[NH2+][C@H](c3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001157765505 938542884 /nfs/dbraw/zinc/54/28/84/938542884.db2.gz UERYWGUKHFVFDN-ZDUSSCGKSA-N 1 0 299.334 1.723 20 5 CDBDRO COc1nc(N[C@H]2CCCC[C@@H]2[NH+](C)C)ncc1[N+](=O)[O-] ZINC001157795947 938547051 /nfs/dbraw/zinc/54/70/51/938547051.db2.gz YTHQFFXZRHWWIY-UWVGGRQHSA-N 1 0 295.343 1.678 20 5 CDBDRO [NH3+]C[C@@]1(F)CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC001157807980 938549070 /nfs/dbraw/zinc/54/90/70/938549070.db2.gz BPEFUKRIIBWMAE-JTQLQIEISA-N 1 0 274.683 1.520 20 5 CDBDRO Cc1nc(N(C(C)C)[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001158021826 938575717 /nfs/dbraw/zinc/57/57/17/938575717.db2.gz LOGXJMMPJFNWFU-NSHDSACASA-N 1 0 264.329 1.875 20 5 CDBDRO CCOc1nc(N2CCC[C@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC001158679205 938649878 /nfs/dbraw/zinc/64/98/78/938649878.db2.gz SABHSTIAWMJIJG-CQSZACIVSA-N 1 0 294.355 1.954 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[NH2+]C3(CC3)C2)n1 ZINC001158936614 938680496 /nfs/dbraw/zinc/68/04/96/938680496.db2.gz KWLLCMXUXOLNCV-UHFFFAOYSA-N 1 0 282.731 1.894 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)[C@H]1C[NH2+]CCO1 ZINC001159490430 938732952 /nfs/dbraw/zinc/73/29/52/938732952.db2.gz WINIQNLYTWJMRA-MWLCHTKSSA-N 1 0 266.301 1.087 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N[C@@]2(C)CCC[N@@H+](C)C2)n1 ZINC001162341665 939030453 /nfs/dbraw/zinc/03/04/53/939030453.db2.gz OAWGVZSPCKPUDN-LBPRGKRZSA-N 1 0 265.317 1.589 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](Nc2cnc(F)c([N+](=O)[O-])c2)C1 ZINC001162400984 939045029 /nfs/dbraw/zinc/04/50/29/939045029.db2.gz JWUYZPALKZAOLZ-JGVFFNPUSA-N 1 0 254.265 1.811 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](Nc2ccc3ncc([N+](=O)[O-])n3c2)C1 ZINC001162403474 939045876 /nfs/dbraw/zinc/04/58/76/939045876.db2.gz ZPLYQJPYFBGPBI-ZJUUUORDSA-N 1 0 275.312 1.924 20 5 CDBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1cnc([N+](=O)[O-])cn1 ZINC001162467099 939062341 /nfs/dbraw/zinc/06/23/41/939062341.db2.gz PFZIIYTZEAQPAA-ZJUUUORDSA-N 1 0 265.317 1.432 20 5 CDBDRO CCOC(=O)c1ccc(-n2nccc2C[NH3+])c([N+](=O)[O-])c1 ZINC001162597925 939100425 /nfs/dbraw/zinc/10/04/25/939100425.db2.gz OVTZHSAUYHGGCV-UHFFFAOYSA-N 1 0 290.279 1.416 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)cc1N[C@@H]1C=C[C@H]2C[NH2+]C[C@@H]21 ZINC001162789954 939140143 /nfs/dbraw/zinc/14/01/43/939140143.db2.gz OSISKSIJJWLOQZ-XHNCKOQMSA-N 1 0 280.715 1.829 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)nc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001162789965 939140169 /nfs/dbraw/zinc/14/01/69/939140169.db2.gz OXOLOPZAMOTQAR-FKTZTGRPSA-N 1 0 280.715 1.829 20 5 CDBDRO [NH3+][C@@H]1Cc2ccccc2N(c2cnc([N+](=O)[O-])cn2)C1 ZINC001162850109 939153060 /nfs/dbraw/zinc/15/30/60/939153060.db2.gz PLYYOUUPCCZUFJ-SNVBAGLBSA-N 1 0 271.280 1.406 20 5 CDBDRO O=[N+]([O-])c1ncccc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163171660 939219059 /nfs/dbraw/zinc/21/90/59/939219059.db2.gz MOAGEBDAXAQXPX-FOGDFJRCSA-N 1 0 278.312 1.026 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](Nc2cc([N+](=O)[O-])cc[n+]2[O-])[C@H](C)C1 ZINC001163357885 939256751 /nfs/dbraw/zinc/25/67/51/939256751.db2.gz NDRYZCAXBOFRTA-YPMHNXCESA-N 1 0 294.355 1.759 20 5 CDBDRO COc1cc(C)nc(N2C[C@H](C[NH3+])CC[C@@H]2C)c1[N+](=O)[O-] ZINC001164462737 939475629 /nfs/dbraw/zinc/47/56/29/939475629.db2.gz TXXCWJRNBRWUOT-QWRGUYRKSA-N 1 0 294.355 1.870 20 5 CDBDRO Cc1nc(N2C[C@@H](C[NH3+])CC[C@@H]2C)ncc1[N+](=O)[O-] ZINC001164473524 939477142 /nfs/dbraw/zinc/47/71/42/939477142.db2.gz HKDAPHNGZIVDJA-WCBMZHEXSA-N 1 0 265.317 1.257 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@H]2C[NH+](C)C)n1 ZINC001165072677 939506681 /nfs/dbraw/zinc/50/66/81/939506681.db2.gz NWKSASYYNKZQJI-JTQLQIEISA-N 1 0 295.343 1.232 20 5 CDBDRO COc1nc(N2CCC[C@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC001165074153 939507346 /nfs/dbraw/zinc/50/73/46/939507346.db2.gz YJJQXEHOBQKCHH-JTQLQIEISA-N 1 0 280.328 1.529 20 5 CDBDRO C[NH+](C)C1(C)CN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C1 ZINC001165120858 939513820 /nfs/dbraw/zinc/51/38/20/939513820.db2.gz PKEAMJDNJBVUET-UHFFFAOYSA-N 1 0 286.719 1.022 20 5 CDBDRO COc1nc(N(C)CC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001165139148 939516172 /nfs/dbraw/zinc/51/61/72/939516172.db2.gz DECRTUBGVZAOSH-UHFFFAOYSA-N 1 0 280.328 1.530 20 5 CDBDRO Cc1nc(Cl)nc(N2CC[C@H]3C[C@@]3([NH3+])C2)c1[N+](=O)[O-] ZINC001165324397 939545262 /nfs/dbraw/zinc/54/52/62/939545262.db2.gz KFAVOCLGEVTXRG-WRWORJQWSA-N 1 0 283.719 1.274 20 5 CDBDRO O=[N+]([O-])c1nccnc1NCC1C[NH+](Cc2ccccc2)C1 ZINC001165412471 939561026 /nfs/dbraw/zinc/56/10/26/939561026.db2.gz KJOZUPLCUVBBEU-UHFFFAOYSA-N 1 0 299.334 1.929 20 5 CDBDRO Cc1nc(N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)ccc1[N+](=O)[O-] ZINC001165427703 939563386 /nfs/dbraw/zinc/56/33/86/939563386.db2.gz SJZFOBZNEJOZDK-MNOVXSKESA-N 1 0 294.330 1.811 20 5 CDBDRO [NH3+]C1([C@@H]2CN(c3cc([N+](=O)[O-])ccn3)C[C@@H]2CF)CC1 ZINC001165426963 939563412 /nfs/dbraw/zinc/56/34/12/939563412.db2.gz KSDGEAHAKHZLBL-GXSJLCMTSA-N 1 0 280.303 1.503 20 5 CDBDRO CN(C[C@@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001166955117 939658853 /nfs/dbraw/zinc/65/88/53/939658853.db2.gz QQRHTEPFUPCAJG-MRVPVSSYSA-N 1 0 270.720 1.689 20 5 CDBDRO CC[C@@H]([NH3+])Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001206169730 939989894 /nfs/dbraw/zinc/98/98/94/939989894.db2.gz XETZABWZXPYIEB-SSDOTTSWSA-N 1 0 281.247 1.459 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@@H]1C[NH2+]C[C@@H]1F ZINC001217998944 941034637 /nfs/dbraw/zinc/03/46/37/941034637.db2.gz BXUAKEMOPCYHRD-JOYOIKCWSA-N 1 0 254.261 1.900 20 5 CDBDRO C[C@@H]([NH3+])C(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2 ZINC001219253640 941322939 /nfs/dbraw/zinc/32/29/39/941322939.db2.gz CXIORUDQVJKHTP-SECBINFHSA-N 1 0 281.315 1.676 20 5 CDBDRO C[N@@H+]1[C@@H]2C[C@H](OCc3ccccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001222760254 941632639 /nfs/dbraw/zinc/63/26/39/941632639.db2.gz MCAIUEOPRMAPKC-GLQYFDAESA-N 1 0 290.319 1.916 20 5 CDBDRO C[N@@H+]1CCC[C@@H](Oc2c(O)cccc2[N+](=O)[O-])C1 ZINC001226336966 941989279 /nfs/dbraw/zinc/98/92/79/941989279.db2.gz ULZQBRGTRSHMMG-SECBINFHSA-N 1 0 252.270 1.773 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227462637 942179325 /nfs/dbraw/zinc/17/93/25/942179325.db2.gz HGKJKDGRCPZMTJ-JTQLQIEISA-N 1 0 281.268 1.976 20 5 CDBDRO CC[N@@H+]1CCC[C@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227990280 942253698 /nfs/dbraw/zinc/25/36/98/942253698.db2.gz IVTZOKWONCELQN-NSHDSACASA-N 1 0 251.286 1.853 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCC[N@H+](C)C1 ZINC001229055844 942413034 /nfs/dbraw/zinc/41/30/34/942413034.db2.gz FSADYQQHFHVCOP-NSHDSACASA-N 1 0 294.307 1.854 20 5 CDBDRO COCc1ccccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001229251952 942440606 /nfs/dbraw/zinc/44/06/06/942440606.db2.gz FFXRJWIWHOXNQP-CYBMUJFWSA-N 1 0 282.360 1.196 20 5 CDBDRO C[NH+](C)[C@H]1CC[C@H](Oc2cc[n+]([O-])cc2[N+](=O)[O-])CC1 ZINC001229452313 942476480 /nfs/dbraw/zinc/47/64/80/942476480.db2.gz PFUGXDMUCITDOM-XYPYZODXSA-N 1 0 281.312 1.480 20 5 CDBDRO CC(C)Oc1cncc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001229515936 942486273 /nfs/dbraw/zinc/48/62/73/942486273.db2.gz ATXPLZQKJAUVOT-GFCCVEGCSA-N 1 0 297.375 1.231 20 5 CDBDRO CCOC(=O)c1cnn(C)c1O[C@H](C)C[N+](C)(C)C ZINC001230369511 942613327 /nfs/dbraw/zinc/61/33/27/942613327.db2.gz IFWAEWJICHNJLJ-SNVBAGLBSA-N 1 0 270.353 1.070 20 5 CDBDRO CS[C@@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)C[C@H]1[NH+](C)C ZINC001262688985 943670718 /nfs/dbraw/zinc/67/07/18/943670718.db2.gz KRAALCPVDHWWME-GHMZBOCLSA-N 1 0 297.384 1.054 20 5 CDBDRO C[N@H+](C1COC1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479307 947453444 /nfs/dbraw/zinc/45/34/44/947453444.db2.gz XBPSDCOYBGCDRN-UHFFFAOYSA-N 1 0 291.351 1.894 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C)C(=O)C1 ZINC001254534900 947515538 /nfs/dbraw/zinc/51/55/38/947515538.db2.gz DFTMIZNYKOIKBB-DGCLKSJQSA-N 1 0 291.351 1.736 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1OCCO1 ZINC001254539101 947516257 /nfs/dbraw/zinc/51/62/57/947516257.db2.gz FMARUVPEBYIOAK-JTQLQIEISA-N 1 0 266.297 1.488 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1COCCN1C ZINC001254540165 947518657 /nfs/dbraw/zinc/51/86/57/947518657.db2.gz PKZHUTOJJNIWAA-GXTWGEPZSA-N 1 0 293.367 1.446 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC(=O)NC1 ZINC001254540769 947518844 /nfs/dbraw/zinc/51/88/44/947518844.db2.gz WFDMBWPGABLYNO-AAEUAGOBSA-N 1 0 291.351 1.784 20 5 CDBDRO CC(C)(CO)C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254565608 947527177 /nfs/dbraw/zinc/52/71/77/947527177.db2.gz DRPOXOGETAJPLD-LBPRGKRZSA-N 1 0 264.325 1.670 20 5 CDBDRO [NH3+]Cc1ccnn1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254565654 947527744 /nfs/dbraw/zinc/52/77/44/947527744.db2.gz FIHZFFWVUOATGH-CYBMUJFWSA-N 1 0 258.281 1.590 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[C@@H](O)C1)C2 ZINC001254565152 947528849 /nfs/dbraw/zinc/52/88/49/947528849.db2.gz CAKKMSDKUHXXJX-SGMGOOAPSA-N 1 0 262.309 1.565 20 5 CDBDRO Cn1ccnc1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254567929 947530130 /nfs/dbraw/zinc/53/01/30/947530130.db2.gz QZOWTVLROWXWJW-GFCCVEGCSA-N 1 0 272.308 1.585 20 5 CDBDRO O=C1C[C@@H](C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1 ZINC001254569518 947530675 /nfs/dbraw/zinc/53/06/75/947530675.db2.gz ZAOBLDGGQVIXGV-GWCFXTLKSA-N 1 0 289.335 1.178 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CN3CCC1CC3)C2 ZINC001254572038 947531676 /nfs/dbraw/zinc/53/16/76/947531676.db2.gz GUPZJFPFEPCQPU-HOCLYGCPSA-N 1 0 287.363 1.746 20 5 CDBDRO C[C@@]1(O)C[C@H](C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254576823 947535083 /nfs/dbraw/zinc/53/50/83/947535083.db2.gz ZXYWBJLWSJNSMY-VZJVUDMVSA-N 1 0 276.336 1.813 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccncn1)C2 ZINC001254581460 947538113 /nfs/dbraw/zinc/53/81/13/947538113.db2.gz LCEAJIHECLFTHZ-CYBMUJFWSA-N 1 0 270.292 1.642 20 5 CDBDRO C[C@H](C[NH3+])C[N@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580595 947538239 /nfs/dbraw/zinc/53/82/39/947538239.db2.gz GSQRRCKAEQSGNH-YGRLFVJLSA-N 1 0 263.341 1.589 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccnnc1)C2 ZINC001254585301 947541181 /nfs/dbraw/zinc/54/11/81/947541181.db2.gz VEGVNWMNSNVQOY-ZDUSSCGKSA-N 1 0 270.292 1.642 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCCC[C@H](O)C1)C2 ZINC001254595754 947545128 /nfs/dbraw/zinc/54/51/28/947545128.db2.gz ZKEXVTWRYYJOOB-CABCVRRESA-N 1 0 276.336 1.909 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@H](O)CC1)C2 ZINC001254600846 947550754 /nfs/dbraw/zinc/55/07/54/947550754.db2.gz VVPHNJCQSJAYKT-HUUCEWRRSA-N 1 0 276.336 1.909 20 5 CDBDRO C[NH+](C)[C@H]1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254600834 947550877 /nfs/dbraw/zinc/55/08/77/947550877.db2.gz VPGOJLJVNVAXJR-GJZGRUSLSA-N 1 0 275.352 1.698 20 5 CDBDRO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)[NH2+]C1 ZINC001246106492 947957154 /nfs/dbraw/zinc/95/71/54/947957154.db2.gz QCYJPAKSNRCRQV-YVECIDJPSA-N 1 0 255.362 1.410 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[NH2+]1 ZINC001246188478 948020755 /nfs/dbraw/zinc/02/07/55/948020755.db2.gz XKSRDDDWSABZSP-WCQYABFASA-N 1 0 263.341 1.867 20 5 CDBDRO NC[C@]1(F)CCCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246572800 948295847 /nfs/dbraw/zinc/29/58/47/948295847.db2.gz BIGDWEADDUWPAJ-RWMBFGLXSA-N 1 0 273.352 1.585 20 5 CDBDRO C[NH2+]CCCc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247620013 948683657 /nfs/dbraw/zinc/68/36/57/948683657.db2.gz DFGKGGRVLGHVSW-UHFFFAOYSA-N 1 0 281.247 1.331 20 5 CDBDRO CC(C)CNC(=O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC001324963589 953659894 /nfs/dbraw/zinc/65/98/94/953659894.db2.gz CCOWKZLTBVXIHL-SNVBAGLBSA-N 1 0 294.355 1.600 20 5 CDBDRO C[NH2+][C@@H](C)CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001328677361 955411369 /nfs/dbraw/zinc/41/13/69/955411369.db2.gz LIIQDODPAYIGOG-JTQLQIEISA-N 1 0 295.339 1.454 20 5 CDBDRO COc1cc(C[NH2+][C@@H](CCO)C(C)C)c([N+](=O)[O-])cc1O ZINC001308288769 956510512 /nfs/dbraw/zinc/51/05/12/956510512.db2.gz GPNQSXCJHXCVHC-NSHDSACASA-N 1 0 298.339 1.806 20 5 CDBDRO COc1ccc(C[NH2+]CCC2(C)OCCO2)cc1[N+](=O)[O-] ZINC001308367183 956525255 /nfs/dbraw/zinc/52/52/55/956525255.db2.gz AQGNJUZHSFAQDB-UHFFFAOYSA-N 1 0 296.323 1.846 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH3+])CC2)c1 ZINC001341415055 956796023 /nfs/dbraw/zinc/79/60/23/956796023.db2.gz JUHSPFXPBDORFI-UHFFFAOYSA-N 1 0 281.337 1.538 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001318102622 957919709 /nfs/dbraw/zinc/91/97/09/957919709.db2.gz GHNTYHHOUQZILV-JTQLQIEISA-N 1 0 278.312 1.233 20 5 CDBDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC001318416179 958091387 /nfs/dbraw/zinc/09/13/87/958091387.db2.gz ZWWLQAIYWCXJCW-BDAKNGLRSA-N 1 0 280.332 1.252 20 5 CDBDRO Cc1n[nH]c(C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001318497220 958137932 /nfs/dbraw/zinc/13/79/32/958137932.db2.gz XPDPQXFFWPJHDU-UWVGGRQHSA-N 1 0 295.343 1.229 20 5 CDBDRO CC(=O)OC[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001333710975 958533091 /nfs/dbraw/zinc/53/30/91/958533091.db2.gz MTQAXKNBMBVFIW-JTQLQIEISA-N 1 0 282.296 1.515 20 5 CDBDRO Cc1cccc(NC[C@H]2CCC[N@@H+]2CC[N+](=O)[O-])n1 ZINC001334615606 959241113 /nfs/dbraw/zinc/24/11/13/959241113.db2.gz QACRRIOMQCKHQT-GFCCVEGCSA-N 1 0 264.329 1.543 20 5 CDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CO1 ZINC001336770068 960568083 /nfs/dbraw/zinc/56/80/83/960568083.db2.gz FNJBUMPLCHEBCO-IJLUTSLNSA-N 1 0 296.323 1.102 20 5 CDBDRO COc1cccc(C(=O)NCCC[NH2+]C2CC2)c1[N+](=O)[O-] ZINC001340404825 962924756 /nfs/dbraw/zinc/92/47/56/962924756.db2.gz OXDWLSZQUWYOMR-UHFFFAOYSA-N 1 0 293.323 1.475 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC001341799016 963546950 /nfs/dbraw/zinc/54/69/50/963546950.db2.gz JJCOOHZBCKUQII-LBPRGKRZSA-N 1 0 274.324 1.749 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC2(C[NH2+]C2)CC1 ZINC001343946584 964190225 /nfs/dbraw/zinc/19/02/25/964190225.db2.gz UVJPZTIQUSOHMG-UHFFFAOYSA-N 1 0 275.308 1.420 20 5 CDBDRO O=C([C@H]1CCCCC[NH2+]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001349419181 966344777 /nfs/dbraw/zinc/34/47/77/966344777.db2.gz YUQNJTSSCIIJQR-CQSZACIVSA-N 1 0 289.335 1.969 20 5 CDBDRO O=C(NC[C@H]1CCCCC[NH2+]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001355519790 969189193 /nfs/dbraw/zinc/18/91/93/969189193.db2.gz JOIOCUGTYDNDBG-GFCCVEGCSA-N 1 0 295.314 1.996 20 5 CDBDRO CO[C@@H](C)[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001357127116 969536818 /nfs/dbraw/zinc/53/68/18/969536818.db2.gz SVECBMPDSBAEIW-KWBADKCTSA-N 1 0 268.313 1.641 20 5 CDBDRO [NH3+]CC[C@@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC001358251778 969713530 /nfs/dbraw/zinc/71/35/30/969713530.db2.gz QZMCTOGKIDYVMK-LLVKDONJSA-N 1 0 293.323 1.171 20 5 CDBDRO C[C@H](NC(=O)C[NH2+]CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001522743785 970545055 /nfs/dbraw/zinc/54/50/55/970545055.db2.gz ILVYFJNXSYKEMT-JTQLQIEISA-N 1 0 277.324 1.772 20 5 CDBDRO CC(C)C[C@H]([NH3+])C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001573505348 1170677569 /nfs/dbraw/zinc/67/75/69/1170677569.db2.gz ZTUVWEDYDHAAQQ-LBPRGKRZSA-N 1 0 277.324 1.857 20 5 CDBDRO CCC[NH+]1C[C@H]2CN(c3nc(C)ncc3[N+](=O)[O-])C[C@@H]2C1 ZINC001157692595 1162289893 /nfs/dbraw/zinc/28/98/93/1162289893.db2.gz XDBRJCJLHRDTBI-RYUDHWBXSA-N 1 0 291.355 1.471 20 5 CDBDRO CO[C@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC001573960796 1170843119 /nfs/dbraw/zinc/84/31/19/1170843119.db2.gz LMDQXKRUOYDBFY-NOZJJQNGSA-N 1 0 294.311 1.004 20 5 CDBDRO CC(C)[C@H]([NH3+])CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC001575460389 1171178349 /nfs/dbraw/zinc/17/83/49/1171178349.db2.gz RELSAGJKKCWFFB-SNVBAGLBSA-N 1 0 271.292 1.621 20 5 CDBDRO CC(C)[N@H+](C)CC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000144265302 342450579 /nfs/dbraw/zinc/45/05/79/342450579.db2.gz HOFVGQWNVLYAOB-UHFFFAOYSA-N 1 0 294.355 1.463 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCCN1c1ccc([N+](=O)[O-])nc1 ZINC000601188493 342488275 /nfs/dbraw/zinc/48/82/75/342488275.db2.gz HPVUCZQVTDZVTL-LLVKDONJSA-N 1 0 264.329 1.910 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COCC[C@H]2O)cc1[N+](=O)[O-] ZINC000601303896 342550886 /nfs/dbraw/zinc/55/08/86/342550886.db2.gz JYPVXWBWPRVUJH-ZKYQVNSYSA-N 1 0 280.324 1.704 20 5 CDBDRO CNc1c(C(=O)N[C@@H](C)CCCC[NH3+])cccc1[N+](=O)[O-] ZINC001578754266 1171995930 /nfs/dbraw/zinc/99/59/30/1171995930.db2.gz NQTUTUWPCMBBPA-JTQLQIEISA-N 1 0 294.355 1.884 20 5 CDBDRO C[C@H]1CCC[N@H+](CCNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000590572000 342577142 /nfs/dbraw/zinc/57/71/42/342577142.db2.gz IJNUNUAMWGLNOG-JTQLQIEISA-N 1 0 279.344 1.138 20 5 CDBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000600311028 342073455 /nfs/dbraw/zinc/07/34/55/342073455.db2.gz NQRYSKURKHYSNO-JTQLQIEISA-N 1 0 281.312 1.650 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000608915202 342084316 /nfs/dbraw/zinc/08/43/16/342084316.db2.gz MVVUCTUSVLXPBP-SNVBAGLBSA-N 1 0 282.344 1.393 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](C3CCC3)C2)c1 ZINC000591062199 342614823 /nfs/dbraw/zinc/61/48/23/342614823.db2.gz XJBLVFGHHGSXHB-GXTWGEPZSA-N 1 0 294.355 1.274 20 5 CDBDRO Cc1cc(N2CC[C@H]3CC[NH2+][C@H]3C2)ncc1[N+](=O)[O-] ZINC000591436499 342631602 /nfs/dbraw/zinc/63/16/02/342631602.db2.gz BAQVDVLFAHKLAZ-MNOVXSKESA-N 1 0 262.313 1.486 20 5 CDBDRO O=[N+]([O-])c1c(N2CC[C@H]3CC[NH2+][C@H]3C2)nc2sccn21 ZINC000591438090 342631891 /nfs/dbraw/zinc/63/18/91/342631891.db2.gz KWYHARGUZJBLCT-BDAKNGLRSA-N 1 0 293.352 1.492 20 5 CDBDRO C[C@@H]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@@H]1C[NH3+] ZINC000591446297 342632683 /nfs/dbraw/zinc/63/26/83/342632683.db2.gz HUPQLTREEMXXKB-MNOVXSKESA-N 1 0 290.367 1.984 20 5 CDBDRO COc1cc(N2CC[C@H]3CC[NH2+][C@@H]3C2)ccc1[N+](=O)[O-] ZINC000591438616 342632069 /nfs/dbraw/zinc/63/20/69/342632069.db2.gz NVCAXFARBIXVSW-ZYHUDNBSSA-N 1 0 277.324 1.792 20 5 CDBDRO CC[C@@H]1C[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591765595 342645902 /nfs/dbraw/zinc/64/59/02/342645902.db2.gz AEFWAWTWEZVMHO-SCDSUCTJSA-N 1 0 280.324 1.723 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)COCC[NH3+])cc1[N+](=O)[O-] ZINC000592210773 342678474 /nfs/dbraw/zinc/67/84/74/342678474.db2.gz IAFUGUIESFOBCL-SNVBAGLBSA-N 1 0 281.312 1.056 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000592477934 342699040 /nfs/dbraw/zinc/69/90/40/342699040.db2.gz LDDXQMBSKUHVFH-IAZYJMLFSA-N 1 0 261.281 1.307 20 5 CDBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CC[N@H+](C)C1 ZINC000592832158 342741846 /nfs/dbraw/zinc/74/18/46/342741846.db2.gz RWIWBWYUCOECPJ-SNVBAGLBSA-N 1 0 280.328 1.479 20 5 CDBDRO Cc1sc(C(=O)N2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000125482227 187187154 /nfs/dbraw/zinc/18/71/54/187187154.db2.gz ZLHNPJHXZNJNFJ-ZETCQYMHSA-N 1 0 269.326 1.399 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCn1cncn1 ZINC000594513459 342913050 /nfs/dbraw/zinc/91/30/50/342913050.db2.gz NYLQMROZHSMOOY-CYBMUJFWSA-N 1 0 287.323 1.854 20 5 CDBDRO C[NH2+]CCn1cc(-c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000600792559 342249300 /nfs/dbraw/zinc/24/93/00/342249300.db2.gz ZKGGYCAIYTYMFF-UHFFFAOYSA-N 1 0 260.297 1.986 20 5 CDBDRO C[NH+](C)CCc1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000594640691 342939353 /nfs/dbraw/zinc/93/93/53/342939353.db2.gz MERUHFKGQGMAPO-UHFFFAOYSA-N 1 0 261.285 1.280 20 5 CDBDRO Cc1cc(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000127833937 342286640 /nfs/dbraw/zinc/28/66/40/342286640.db2.gz HDGUWLLTIWSYCJ-MFKMUULPSA-N 1 0 293.323 1.091 20 5 CDBDRO COC[C@H](O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595035944 342997773 /nfs/dbraw/zinc/99/77/73/342997773.db2.gz NSXSZFFXPPFALC-CMPLNLGQSA-N 1 0 298.339 1.651 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN1CCC1 ZINC000595036660 342997934 /nfs/dbraw/zinc/99/79/34/342997934.db2.gz UOVMVXVWRRUFJQ-NSHDSACASA-N 1 0 279.340 1.960 20 5 CDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000075841737 342318040 /nfs/dbraw/zinc/31/80/40/342318040.db2.gz YPBCAUMRDSDLJM-CYBMUJFWSA-N 1 0 280.324 1.819 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[C@H](n2cncn2)C1 ZINC000595445993 343063513 /nfs/dbraw/zinc/06/35/13/343063513.db2.gz ANFAARIRYIOVNS-LBPRGKRZSA-N 1 0 291.286 1.772 20 5 CDBDRO Cc1noc(CN(C)CC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000595451588 343066443 /nfs/dbraw/zinc/06/64/43/343066443.db2.gz UGCXFABWDUUCTF-UHFFFAOYSA-N 1 0 282.344 1.807 20 5 CDBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000595769810 343146648 /nfs/dbraw/zinc/14/66/48/343146648.db2.gz MCVFTBKMBPXDKF-BXUZGUMPSA-N 1 0 280.324 1.819 20 5 CDBDRO O=C1CC[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CC[C@H]2N1 ZINC000595739836 343136188 /nfs/dbraw/zinc/13/61/88/343136188.db2.gz KVEBJRZQLBARGJ-GXTWGEPZSA-N 1 0 289.335 1.695 20 5 CDBDRO CN(CCOc1ccc([N+](=O)[O-])cc1)CC(C)(C)[NH3+] ZINC000595898223 343186106 /nfs/dbraw/zinc/18/61/06/343186106.db2.gz HXRALNBEADKPCZ-UHFFFAOYSA-N 1 0 267.329 1.643 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1([NH3+])CCCC1 ZINC000595967523 343198730 /nfs/dbraw/zinc/19/87/30/343198730.db2.gz UOFFOYMQVVODLF-UHFFFAOYSA-N 1 0 277.324 1.905 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000595936232 343201879 /nfs/dbraw/zinc/20/18/79/343201879.db2.gz YKVAELJMKRTYGB-UHFFFAOYSA-N 1 0 291.311 1.280 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000595981907 343210807 /nfs/dbraw/zinc/21/08/07/343210807.db2.gz GRNFQECDFOSDKZ-QMMMGPOBSA-N 1 0 277.280 1.679 20 5 CDBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1c([N+](=O)[O-])ncn1C ZINC000596488841 343329780 /nfs/dbraw/zinc/32/97/80/343329780.db2.gz SCOGCVDXFWMNQZ-LLVKDONJSA-N 1 0 281.360 1.861 20 5 CDBDRO CCOCC[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000093314341 342425182 /nfs/dbraw/zinc/42/51/82/342425182.db2.gz IIXDNNITGVLMSZ-ZDUSSCGKSA-N 1 0 268.313 1.597 20 5 CDBDRO COc1ccc(CNC(=O)C2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000596876012 343413476 /nfs/dbraw/zinc/41/34/76/343413476.db2.gz IQXLOPQVUJDJJI-UHFFFAOYSA-N 1 0 293.323 1.314 20 5 CDBDRO C[NH+](C)CCCCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000552232515 290061676 /nfs/dbraw/zinc/06/16/76/290061676.db2.gz QUOBFDZKYFQVMO-UHFFFAOYSA-N 1 0 279.340 1.943 20 5 CDBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])o1)C2 ZINC000597714846 343608730 /nfs/dbraw/zinc/60/87/30/343608730.db2.gz KFYYXGIXNPCYCW-AWEZNQCLSA-N 1 0 293.323 1.746 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC[N@@H+]1C ZINC000437002569 362250266 /nfs/dbraw/zinc/25/02/66/362250266.db2.gz SXHWOLABEFQKEQ-VHSXEESVSA-N 1 0 293.323 1.513 20 5 CDBDRO C[C@@H](CCNC(=O)c1c(N)cccc1[N+](=O)[O-])[NH+](C)C ZINC000597993306 343683161 /nfs/dbraw/zinc/68/31/61/343683161.db2.gz QWSDWMHQYSMWPX-VIFPVBQESA-N 1 0 280.328 1.247 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000598668739 343871751 /nfs/dbraw/zinc/87/17/51/343871751.db2.gz ZRYDPYUJMBTKGO-XHDPSFHLSA-N 1 0 289.335 1.857 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598913564 343919210 /nfs/dbraw/zinc/91/92/10/343919210.db2.gz MHYREAUTFCZCPM-JGVFFNPUSA-N 1 0 284.291 1.981 20 5 CDBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1[NH3+] ZINC000598916309 343920060 /nfs/dbraw/zinc/92/00/60/343920060.db2.gz XRFJUVSZROJJPY-KWQFWETISA-N 1 0 296.302 1.935 20 5 CDBDRO [NH3+]C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598915933 343920102 /nfs/dbraw/zinc/92/01/02/343920102.db2.gz QUEYLFXMSUOBHC-MRVPVSSYSA-N 1 0 282.275 1.546 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000599176394 343966030 /nfs/dbraw/zinc/96/60/30/343966030.db2.gz SMWOMUTZSZSTLV-LLVKDONJSA-N 1 0 265.313 1.382 20 5 CDBDRO O=C1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C[C@H]2CCCCN12 ZINC000453624758 252329859 /nfs/dbraw/zinc/32/98/59/252329859.db2.gz JUFMRSGZKZJMOC-KGLIPLIRSA-N 1 0 289.335 1.838 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000602597617 344503507 /nfs/dbraw/zinc/50/35/07/344503507.db2.gz VZGXKVZIWMIQQO-XVKPBYJWSA-N 1 0 267.260 1.296 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602586969 344477822 /nfs/dbraw/zinc/47/78/22/344477822.db2.gz CCKAJXLNYLXHDM-UWVGGRQHSA-N 1 0 291.307 1.180 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCNc2cnccn2)cc1 ZINC000602569704 344485107 /nfs/dbraw/zinc/48/51/07/344485107.db2.gz RSSYWNUOEQBJNN-UHFFFAOYSA-N 1 0 287.323 1.629 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000602595304 344502275 /nfs/dbraw/zinc/50/22/75/344502275.db2.gz HOKPDIAAVXFGCC-OIBJUYFYSA-N 1 0 283.715 1.810 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[C@@H](CO)C2)cc1 ZINC000602680730 344528093 /nfs/dbraw/zinc/52/80/93/344528093.db2.gz VRYVQJMGKSXWGT-OLZOCXBDSA-N 1 0 264.325 1.888 20 5 CDBDRO COC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602805056 344592567 /nfs/dbraw/zinc/59/25/67/344592567.db2.gz LDVXPZZBQUBCTO-NSHDSACASA-N 1 0 268.317 1.114 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](C(C)C)CC1 ZINC000602759060 344582372 /nfs/dbraw/zinc/58/23/72/344582372.db2.gz JTLQOVWYQOFGNQ-UHFFFAOYSA-N 1 0 281.360 1.126 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(C2CC2)CC1 ZINC000602807851 344616300 /nfs/dbraw/zinc/61/63/00/344616300.db2.gz WXUMWSNZZCDYQM-UHFFFAOYSA-N 1 0 250.302 1.632 20 5 CDBDRO CCOC1(C)CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602840217 344621217 /nfs/dbraw/zinc/62/12/17/344621217.db2.gz YAVDIMJLTXTCKU-UHFFFAOYSA-N 1 0 296.371 1.991 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000602914144 344647547 /nfs/dbraw/zinc/64/75/47/344647547.db2.gz RUFIPKOTGPJKOE-JQWIXIFHSA-N 1 0 282.344 1.050 20 5 CDBDRO COCCC[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000066379026 344715883 /nfs/dbraw/zinc/71/58/83/344715883.db2.gz RURGXATXKNXREB-ZDUSSCGKSA-N 1 0 298.339 1.303 20 5 CDBDRO C[C@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CO1 ZINC000402350646 344947706 /nfs/dbraw/zinc/94/77/06/344947706.db2.gz ZKUUIBAINNYQCA-JQWIXIFHSA-N 1 0 250.298 1.904 20 5 CDBDRO Nc1c(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000292900654 362518281 /nfs/dbraw/zinc/51/82/81/362518281.db2.gz DKNKUZHUFOSHNE-ONGXEEELSA-N 1 0 290.323 1.001 20 5 CDBDRO CC(C)(CO)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000618572097 345063136 /nfs/dbraw/zinc/06/31/36/345063136.db2.gz WJUBWDLXXQXDQP-VXGBXAGGSA-N 1 0 296.371 1.883 20 5 CDBDRO CN1CC[C@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000265674639 362571688 /nfs/dbraw/zinc/57/16/88/362571688.db2.gz YXBCALUAMIKYKU-ZDUSSCGKSA-N 1 0 277.324 1.300 20 5 CDBDRO COc1ccc(CN2CC[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000129095816 345262209 /nfs/dbraw/zinc/26/22/09/345262209.db2.gz MQXPEVGDGIJVPV-ZYHUDNBSSA-N 1 0 279.340 1.915 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](CO)C2)c1 ZINC000265882763 362628123 /nfs/dbraw/zinc/62/81/23/362628123.db2.gz PVUCREDSUHCIIC-LBPRGKRZSA-N 1 0 280.324 1.678 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]CC1(C)C ZINC000088139793 346014265 /nfs/dbraw/zinc/01/42/65/346014265.db2.gz PSRSDRXFJQAJOP-UHFFFAOYSA-N 1 0 279.340 1.787 20 5 CDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000609876650 346030249 /nfs/dbraw/zinc/03/02/49/346030249.db2.gz DIHCTVIDRCZESP-SNVBAGLBSA-N 1 0 280.328 1.527 20 5 CDBDRO CC(C)[NH2+][C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000610447933 346284340 /nfs/dbraw/zinc/28/43/40/346284340.db2.gz NVZDOMJEWKIERN-GFCCVEGCSA-N 1 0 281.360 1.254 20 5 CDBDRO Cc1cnc(N2CCN(C(C)(C)CO)CC2)c([N+](=O)[O-])c1 ZINC000610479258 346289385 /nfs/dbraw/zinc/28/93/85/346289385.db2.gz BYRXAWXVJKHVGT-UHFFFAOYSA-N 1 0 294.355 1.191 20 5 CDBDRO CCn1cnnc1CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000610658236 346335519 /nfs/dbraw/zinc/33/55/19/346335519.db2.gz OZOBUWRDKDGGAR-UHFFFAOYSA-N 1 0 275.312 1.539 20 5 CDBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000037886762 346369614 /nfs/dbraw/zinc/36/96/14/346369614.db2.gz PKPCKNLXMXTUSF-MDZLAQPJSA-N 1 0 282.344 1.321 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CCO1 ZINC000610897372 346482240 /nfs/dbraw/zinc/48/22/40/346482240.db2.gz UHJAQFSKUDDLNI-YWPYICTPSA-N 1 0 293.367 1.965 20 5 CDBDRO CC[N@@H+]1CCN(c2nccc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000611084627 346604412 /nfs/dbraw/zinc/60/44/12/346604412.db2.gz HUPUCKZUJWNTQQ-NSHDSACASA-N 1 0 264.329 1.829 20 5 CDBDRO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(C)(C)O ZINC000611271824 346731705 /nfs/dbraw/zinc/73/17/05/346731705.db2.gz LQGNFDGCHJKYTM-UHFFFAOYSA-N 1 0 296.323 1.569 20 5 CDBDRO O=[N+]([O-])c1ccsc1N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000611412051 346778995 /nfs/dbraw/zinc/77/89/95/346778995.db2.gz FQCZWVJSZWRBRD-CMPLNLGQSA-N 1 0 297.380 1.692 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000089305007 346755801 /nfs/dbraw/zinc/75/58/01/346755801.db2.gz ATGWORVANMFCPR-CQSZACIVSA-N 1 0 291.351 1.738 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000614711108 348199886 /nfs/dbraw/zinc/19/98/86/348199886.db2.gz GIWOBRNMDFOINS-CHWSQXEVSA-N 1 0 277.324 1.807 20 5 CDBDRO C[NH+](C)CC(C)(C)CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000057157586 348832003 /nfs/dbraw/zinc/83/20/03/348832003.db2.gz ILWUMCGHJNPBLV-UHFFFAOYSA-N 1 0 293.367 1.841 20 5 CDBDRO C[N@H+](CCC1CC1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090565216 180005981 /nfs/dbraw/zinc/00/59/81/180005981.db2.gz UUEMBKBTXHKWTL-UHFFFAOYSA-N 1 0 265.313 1.488 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[NH+]1CCCC1 ZINC000091557624 180190730 /nfs/dbraw/zinc/19/07/30/180190730.db2.gz FWJZHGXEHWBBTM-UHFFFAOYSA-N 1 0 267.333 1.627 20 5 CDBDRO C[C@H](c1ccncc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000091985839 180298678 /nfs/dbraw/zinc/29/86/78/180298678.db2.gz SSFQCGIXYXQNJE-LLVKDONJSA-N 1 0 275.312 1.879 20 5 CDBDRO O=C1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCN1 ZINC000111825758 350500108 /nfs/dbraw/zinc/50/01/08/350500108.db2.gz VUZHAAHUMODLDM-LLVKDONJSA-N 1 0 263.297 1.353 20 5 CDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000109705405 186268832 /nfs/dbraw/zinc/26/88/32/186268832.db2.gz XMBLPKMKVVJALY-LBPRGKRZSA-N 1 0 279.340 1.627 20 5 CDBDRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000110645885 186308873 /nfs/dbraw/zinc/30/88/73/186308873.db2.gz QVCORFFPTPKIDR-VIFPVBQESA-N 1 0 295.314 1.933 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000111272256 186385656 /nfs/dbraw/zinc/38/56/56/186385656.db2.gz VRRZCHXLFNWHCI-MWLCHTKSSA-N 1 0 263.297 1.067 20 5 CDBDRO COc1cc(C(=O)NC[C@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000156688446 351559596 /nfs/dbraw/zinc/55/95/96/351559596.db2.gz IFJICOSXVQWKQN-LLVKDONJSA-N 1 0 293.323 1.475 20 5 CDBDRO CN1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000344609690 366038494 /nfs/dbraw/zinc/03/84/94/366038494.db2.gz JGDFLWQZCWWSKI-LBPRGKRZSA-N 1 0 263.297 1.305 20 5 CDBDRO CC[C@]1(C(=O)NCc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000122043032 187012025 /nfs/dbraw/zinc/01/20/25/187012025.db2.gz HYBUCQUUBKDNNC-CQSZACIVSA-N 1 0 277.324 1.743 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000123526765 187096753 /nfs/dbraw/zinc/09/67/53/187096753.db2.gz FBOBJHWRLKDMJQ-OLZOCXBDSA-N 1 0 261.325 1.921 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000135882323 187854919 /nfs/dbraw/zinc/85/49/19/187854919.db2.gz SXQHRNFIFLFFKO-IUCAKERBSA-N 1 0 281.287 1.543 20 5 CDBDRO CCOc1ccc([C@H](C)[NH2+]CCO)cc1[N+](=O)[O-] ZINC000152630670 188033022 /nfs/dbraw/zinc/03/30/22/188033022.db2.gz MLVDBADVJWEMND-VIFPVBQESA-N 1 0 254.286 1.636 20 5 CDBDRO CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000153471335 188084861 /nfs/dbraw/zinc/08/48/61/188084861.db2.gz ZQZYBNDBGOEZFU-CYBMUJFWSA-N 1 0 291.351 1.690 20 5 CDBDRO CC(C)(C)[N@@H+](CC(N)=O)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154475434 188144009 /nfs/dbraw/zinc/14/40/09/188144009.db2.gz LGGLMVKNBQUSCT-LBPRGKRZSA-N 1 0 295.339 1.214 20 5 CDBDRO CCOC(=O)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000155694497 188222528 /nfs/dbraw/zinc/22/25/28/188222528.db2.gz HAXDKCFSFSRZJE-LLVKDONJSA-N 1 0 296.327 1.066 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000156792611 188281274 /nfs/dbraw/zinc/28/12/74/188281274.db2.gz GRUHAUFFSJOAOX-NSHDSACASA-N 1 0 295.339 1.851 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000157209817 188304055 /nfs/dbraw/zinc/30/40/55/188304055.db2.gz GCBHYTAFKXTFOB-GFCCVEGCSA-N 1 0 297.380 1.786 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158475036 188377430 /nfs/dbraw/zinc/37/74/30/188377430.db2.gz UPLKAATWKUKRMO-GFCCVEGCSA-N 1 0 265.269 1.013 20 5 CDBDRO CCC[C@H]([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000037029876 363315976 /nfs/dbraw/zinc/31/59/76/363315976.db2.gz ZRANNYLPJMHAST-VIFPVBQESA-N 1 0 251.286 1.969 20 5 CDBDRO Cc1cccc(C(=O)NC2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000037116526 363388769 /nfs/dbraw/zinc/38/87/69/363388769.db2.gz AOSAMZFULWOHQI-UHFFFAOYSA-N 1 0 263.297 1.385 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NCC1=CC[N@H+](C)CC1 ZINC000271891870 191392800 /nfs/dbraw/zinc/39/28/00/191392800.db2.gz XFOUPNYUDHXCRG-UHFFFAOYSA-N 1 0 262.313 1.972 20 5 CDBDRO [NH3+]C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000033439833 356170166 /nfs/dbraw/zinc/17/01/66/356170166.db2.gz KNZUWNIMYBVKIK-UHFFFAOYSA-N 1 0 265.313 1.397 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493434094 356267839 /nfs/dbraw/zinc/26/78/39/356267839.db2.gz NTBFNOSYFQSYNN-GQCTYLIASA-N 1 0 295.314 1.991 20 5 CDBDRO C[C@@H]1C[C@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000401643222 356341049 /nfs/dbraw/zinc/34/10/49/356341049.db2.gz GJLFOVSKRSQKFL-MFKMUULPSA-N 1 0 250.298 1.798 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000273652496 192246898 /nfs/dbraw/zinc/24/68/98/192246898.db2.gz UUALKTXWAWTUDC-LLVKDONJSA-N 1 0 279.344 1.917 20 5 CDBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cn1)C1=CC[N@H+](C)CC1 ZINC000273714806 192274782 /nfs/dbraw/zinc/27/47/82/192274782.db2.gz FURAZZGSACLHPO-SECBINFHSA-N 1 0 263.301 1.447 20 5 CDBDRO CO[C@@]1(C)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000366473034 363547318 /nfs/dbraw/zinc/54/73/18/363547318.db2.gz VWDZACVPIKUQHC-ZDUSSCGKSA-N 1 0 282.344 1.682 20 5 CDBDRO CCN(C)C(=O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668544 356916476 /nfs/dbraw/zinc/91/64/76/356916476.db2.gz BXQUXPMVBBWEPL-UHFFFAOYSA-N 1 0 251.286 1.163 20 5 CDBDRO CCC[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181642328 357370512 /nfs/dbraw/zinc/37/05/12/357370512.db2.gz UUQPBPGAHDOOPK-LLVKDONJSA-N 1 0 268.313 1.676 20 5 CDBDRO COc1cccc(N2C[C@@H](C[NH3+])C[C@H]2C)c1[N+](=O)[O-] ZINC000135060333 357314594 /nfs/dbraw/zinc/31/45/94/357314594.db2.gz OCNAZJLJOHDSLS-NXEZZACHSA-N 1 0 265.313 1.777 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000264520300 357355861 /nfs/dbraw/zinc/35/58/61/357355861.db2.gz ZWHPMNDJXSWEGO-LBPRGKRZSA-N 1 0 293.371 1.346 20 5 CDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000181887912 357388154 /nfs/dbraw/zinc/38/81/54/357388154.db2.gz KPFHOKPLAOQERZ-LLVKDONJSA-N 1 0 298.339 1.037 20 5 CDBDRO CC[NH2+]CCCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000566203634 357436761 /nfs/dbraw/zinc/43/67/61/357436761.db2.gz TYYSICBZFNVBMZ-UHFFFAOYSA-N 1 0 294.355 1.513 20 5 CDBDRO CS[C@H]1CN(c2ccc(N)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000286622610 357588793 /nfs/dbraw/zinc/58/87/93/357588793.db2.gz VZCGWOINHDMVON-OLZOCXBDSA-N 1 0 296.396 1.659 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000135211314 357769904 /nfs/dbraw/zinc/76/99/04/357769904.db2.gz JZRZUWJARRJOQV-LLVKDONJSA-N 1 0 263.297 1.087 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[NH2+]1 ZINC000135224625 357798423 /nfs/dbraw/zinc/79/84/23/357798423.db2.gz AALZUVOTUVROLO-LLVKDONJSA-N 1 0 263.297 1.006 20 5 CDBDRO COC(=O)C1(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000188668435 357924041 /nfs/dbraw/zinc/92/40/41/357924041.db2.gz JLEZFQZBCCEWTE-UHFFFAOYSA-N 1 0 278.308 1.946 20 5 CDBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCC1 ZINC000072721934 358045428 /nfs/dbraw/zinc/04/54/28/358045428.db2.gz PBXHCSLERQUTGR-UHFFFAOYSA-N 1 0 263.297 1.678 20 5 CDBDRO C[C@H]([NH2+]CCN1CCCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000361349761 358165610 /nfs/dbraw/zinc/16/56/10/358165610.db2.gz XXAYZOBYTRRILN-ZDUSSCGKSA-N 1 0 293.367 1.968 20 5 CDBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000193566722 358303504 /nfs/dbraw/zinc/30/35/04/358303504.db2.gz JFQSYFIOGOAKBG-SKDRFNHKSA-N 1 0 263.297 1.209 20 5 CDBDRO C[NH+](C)Cc1ccnc(NC(=O)CCC(C)(C)[N+](=O)[O-])c1 ZINC000294836735 199205519 /nfs/dbraw/zinc/20/55/19/199205519.db2.gz DRUXMSPLUCDFSP-UHFFFAOYSA-N 1 0 294.355 1.917 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1OC[C@H](O)C[N@H+](C)C1CC1 ZINC000290871248 358691538 /nfs/dbraw/zinc/69/15/38/358691538.db2.gz ZSJBOULGATTXCJ-GFCCVEGCSA-N 1 0 296.323 1.437 20 5 CDBDRO CSC[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000135449598 358754763 /nfs/dbraw/zinc/75/47/63/358754763.db2.gz UWXMWEABQZUGNM-SNVBAGLBSA-N 1 0 270.358 1.619 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000186778361 358823477 /nfs/dbraw/zinc/82/34/77/358823477.db2.gz VIQMXMYVZKBCFF-LDYMZIIASA-N 1 0 297.742 1.976 20 5 CDBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000290938255 358786107 /nfs/dbraw/zinc/78/61/07/358786107.db2.gz LMYNNGBUDFFZTM-SNVBAGLBSA-N 1 0 282.344 1.773 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000104186247 358949715 /nfs/dbraw/zinc/94/97/15/358949715.db2.gz CKQLFRGIKFGFTH-LLVKDONJSA-N 1 0 277.324 1.585 20 5 CDBDRO NC(=O)c1ccc(NCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000022815116 359135498 /nfs/dbraw/zinc/13/54/98/359135498.db2.gz NUCVEQRESRYBIL-UHFFFAOYSA-N 1 0 278.312 1.201 20 5 CDBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000111829288 359267381 /nfs/dbraw/zinc/26/73/81/359267381.db2.gz IDBXNXDYDPGOER-MRVPVSSYSA-N 1 0 254.290 1.026 20 5 CDBDRO C[N@@H+]1CCN(c2cccnc2[N+](=O)[O-])CC1(C)C ZINC000601186069 359325857 /nfs/dbraw/zinc/32/58/57/359325857.db2.gz DXZZNNCBKFPBAO-UHFFFAOYSA-N 1 0 250.302 1.520 20 5 CDBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000267326059 359822304 /nfs/dbraw/zinc/82/23/04/359822304.db2.gz ZSQBUVSKABCBIW-BDAKNGLRSA-N 1 0 280.332 1.252 20 5 CDBDRO CC1=CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000270135426 359905893 /nfs/dbraw/zinc/90/58/93/359905893.db2.gz HPFCTPONJAFJGB-AWEZNQCLSA-N 1 0 292.335 1.987 20 5 CDBDRO CC[NH2+]CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000054263156 360065349 /nfs/dbraw/zinc/06/53/49/360065349.db2.gz GJNDEGQKQVHKHD-UHFFFAOYSA-N 1 0 251.286 1.243 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[NH+](C)C)n1 ZINC000166654057 360208223 /nfs/dbraw/zinc/20/82/23/360208223.db2.gz DTTYAXKAFSZHLK-UHFFFAOYSA-N 1 0 282.300 1.140 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000166740717 360276683 /nfs/dbraw/zinc/27/66/83/360276683.db2.gz CHOAKVHIQDDQSM-LLVKDONJSA-N 1 0 277.324 1.775 20 5 CDBDRO Cc1nc(N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000382409627 360293824 /nfs/dbraw/zinc/29/38/24/360293824.db2.gz DAIOBTRBPOHIQH-NXEZZACHSA-N 1 0 250.302 1.980 20 5 CDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000348160399 360534203 /nfs/dbraw/zinc/53/42/03/360534203.db2.gz PALJDHRQBGEYLR-YPMHNXCESA-N 1 0 295.314 1.738 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000267447009 360802839 /nfs/dbraw/zinc/80/28/39/360802839.db2.gz ZZLFBPWALSIRPU-GFCCVEGCSA-N 1 0 292.339 1.148 20 5 CDBDRO COC[C@H](O)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000129744458 360878224 /nfs/dbraw/zinc/87/82/24/360878224.db2.gz CAKJCWNGVAXMAY-DGCLKSJQSA-N 1 0 282.340 1.513 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000262730940 361212829 /nfs/dbraw/zinc/21/28/29/361212829.db2.gz HYFLOWQRQJVJLE-PELKAZGASA-N 1 0 281.287 1.462 20 5 CDBDRO CC[NH+]1CCN(CCNc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000265197908 361345818 /nfs/dbraw/zinc/34/58/18/361345818.db2.gz MFXOSIDDRIBZPY-UHFFFAOYSA-N 1 0 293.371 1.348 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000147925693 283664682 /nfs/dbraw/zinc/66/46/82/283664682.db2.gz YJOWINGMSGYCCI-SNVBAGLBSA-N 1 0 263.297 1.337 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000036282794 361421229 /nfs/dbraw/zinc/42/12/29/361421229.db2.gz HWHRXMCCJLXKEP-UHFFFAOYSA-N 1 0 263.297 1.419 20 5 CDBDRO Cn1c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000345853412 364043061 /nfs/dbraw/zinc/04/30/61/364043061.db2.gz OCEZZRUJEDZKBQ-QWRGUYRKSA-N 1 0 292.339 1.290 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000151896664 364594062 /nfs/dbraw/zinc/59/40/62/364594062.db2.gz HVRNBDIFMYNXFS-UHFFFAOYSA-N 1 0 281.312 1.217 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H]1C ZINC000345889773 364753047 /nfs/dbraw/zinc/75/30/47/364753047.db2.gz XTUKMFIMDQLRJM-VHSXEESVSA-N 1 0 280.328 1.478 20 5 CDBDRO CC1(C)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000275440516 193038628 /nfs/dbraw/zinc/03/86/28/193038628.db2.gz KFANHTBQCIWHQE-KGLIPLIRSA-N 1 0 294.351 1.721 20 5 CDBDRO NC(=O)c1ccc(NCC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000110798613 365296632 /nfs/dbraw/zinc/29/66/32/365296632.db2.gz MNRPYOMWMXJKMH-VIFPVBQESA-N 1 0 278.312 1.105 20 5 CDBDRO CC(C)[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270480369 366887668 /nfs/dbraw/zinc/88/76/68/366887668.db2.gz FNMWIRMLLLKHHL-CYBMUJFWSA-N 1 0 279.340 1.877 20 5 CDBDRO CC[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000270917011 366944119 /nfs/dbraw/zinc/94/41/19/366944119.db2.gz OPDNTQNYJCBAGI-WCQYABFASA-N 1 0 280.324 1.676 20 5 CDBDRO C[NH+](C)C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000075873761 366909335 /nfs/dbraw/zinc/90/93/35/366909335.db2.gz NQKDWXMIKAZEGQ-UHFFFAOYSA-N 1 0 267.285 1.354 20 5 CDBDRO Cc1ccc(NC(=O)N[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414664105 241309478 /nfs/dbraw/zinc/30/94/78/241309478.db2.gz TUDJSUKFPOQLKF-LLVKDONJSA-N 1 0 278.312 1.762 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/CNC[C@H]1CCC[NH2+]1 ZINC000414853892 241420106 /nfs/dbraw/zinc/42/01/06/241420106.db2.gz YMNLLDNWYXYBMU-VUUYWXRKSA-N 1 0 261.325 1.950 20 5 CDBDRO C[C@@H](NC(=O)NC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000417145194 242335608 /nfs/dbraw/zinc/33/56/08/242335608.db2.gz WNBKMYHUYBPRRH-SNVBAGLBSA-N 1 0 292.339 1.707 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1ccc(F)cc1[N+](=O)[O-] ZINC000135224574 283995160 /nfs/dbraw/zinc/99/51/60/283995160.db2.gz RMJJOXCOHDOBMT-SECBINFHSA-N 1 0 267.260 1.216 20 5 CDBDRO COCC1(CNc2ncc([N+](=O)[O-])c(C)n2)CC[NH2+]CC1 ZINC000420237164 243961149 /nfs/dbraw/zinc/96/11/49/243961149.db2.gz HGYMIMIXEWSLRC-UHFFFAOYSA-N 1 0 295.343 1.121 20 5 CDBDRO C[NH2+]CCC1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000420230009 243951412 /nfs/dbraw/zinc/95/14/12/243951412.db2.gz WHYPZQIVLQKFDY-UHFFFAOYSA-N 1 0 279.344 1.519 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ncc([N+](=O)[O-])s1 ZINC000420632957 244299017 /nfs/dbraw/zinc/29/90/17/244299017.db2.gz IKGUZKQQGAZJNM-MRVPVSSYSA-N 1 0 256.331 1.582 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[NH2+]C2)c1 ZINC000129809135 369384119 /nfs/dbraw/zinc/38/41/19/369384119.db2.gz JAYZYZVBGVBJLO-JTQLQIEISA-N 1 0 293.323 1.333 20 5 CDBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1CO ZINC000276110301 193215790 /nfs/dbraw/zinc/21/57/90/193215790.db2.gz XJSSOBNGBNIOCD-TVQRCGJNSA-N 1 0 268.288 1.937 20 5 CDBDRO CC[C@H](NC[C@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330889418 203357221 /nfs/dbraw/zinc/35/72/21/203357221.db2.gz VEQMYJRFEGSETG-LSDHHAIUSA-N 1 0 293.367 1.702 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000037668448 369784216 /nfs/dbraw/zinc/78/42/16/369784216.db2.gz JZTUVYNEEGCLRX-NSHDSACASA-N 1 0 263.297 1.211 20 5 CDBDRO CCC[C@@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668504 369785137 /nfs/dbraw/zinc/78/51/37/369785137.db2.gz FRXSANSWAPVCNR-LLVKDONJSA-N 1 0 251.286 1.338 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000295282907 369851922 /nfs/dbraw/zinc/85/19/22/369851922.db2.gz SZCUYQFZRKIKHD-MRVPVSSYSA-N 1 0 266.301 1.034 20 5 CDBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c2nonc21)[NH+](C)C ZINC000037988045 370098749 /nfs/dbraw/zinc/09/87/49/370098749.db2.gz UWUVWYIVFUFYCD-ZETCQYMHSA-N 1 0 265.273 1.493 20 5 CDBDRO COc1ccc(NC(=O)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000272817155 370193631 /nfs/dbraw/zinc/19/36/31/370193631.db2.gz CNGNIRXNURMFDK-UHFFFAOYSA-N 1 0 293.323 1.884 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1C[NH2+]CC[C@H]1C ZINC000422711531 245169832 /nfs/dbraw/zinc/16/98/32/245169832.db2.gz HBNKWFUSOSJVDK-MFKMUULPSA-N 1 0 279.340 1.691 20 5 CDBDRO COc1cc(C(=O)N(C)[C@H](C)C[NH3+])cc([N+](=O)[O-])c1C ZINC000422826041 245303648 /nfs/dbraw/zinc/30/36/48/245303648.db2.gz BMFQSCCMSCBIIQ-MRVPVSSYSA-N 1 0 281.312 1.331 20 5 CDBDRO CC[C@@H]1CN(C)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000520448742 371979761 /nfs/dbraw/zinc/97/97/61/371979761.db2.gz QSWJBJMNKUFZGG-SNVBAGLBSA-N 1 0 280.328 1.100 20 5 CDBDRO C[C@H](NC(=O)CC1(C[NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000422991586 245474870 /nfs/dbraw/zinc/47/48/70/245474870.db2.gz OVNJOHTXLFOJNJ-JTQLQIEISA-N 1 0 277.324 1.901 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC3(CC3)C2)c1 ZINC000187002236 373184727 /nfs/dbraw/zinc/18/47/27/373184727.db2.gz ATQNICIBCPAFGG-GFCCVEGCSA-N 1 0 280.328 1.028 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1CC[NH2+]CC1 ZINC000037810219 373400963 /nfs/dbraw/zinc/40/09/63/373400963.db2.gz PRVCWVPQDFNCMM-UHFFFAOYSA-N 1 0 277.324 1.553 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368385769 373836146 /nfs/dbraw/zinc/83/61/46/373836146.db2.gz QSGHTLUOPFUTNN-GXTWGEPZSA-N 1 0 289.335 1.348 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000113516281 374261912 /nfs/dbraw/zinc/26/19/12/374261912.db2.gz QQWDWSVQWJEURJ-CYBMUJFWSA-N 1 0 293.367 1.857 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000369339150 374351692 /nfs/dbraw/zinc/35/16/92/374351692.db2.gz MEEGSDAXJSACRA-JSGCOSHPSA-N 1 0 289.335 1.348 20 5 CDBDRO C[C@@H](CN)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423368523 374379799 /nfs/dbraw/zinc/37/97/99/374379799.db2.gz NHIWLSXCJXKUGN-AXFHLTTASA-N 1 0 267.333 1.212 20 5 CDBDRO O=C(C[NH2+]CC1CC1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423857232 246150616 /nfs/dbraw/zinc/15/06/16/246150616.db2.gz YFDLJLVMOAPSKA-UHFFFAOYSA-N 1 0 297.742 1.864 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000423857770 246151449 /nfs/dbraw/zinc/15/14/49/246151449.db2.gz ZCOXFEDPJSHJDL-JTQLQIEISA-N 1 0 297.742 1.864 20 5 CDBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299147812 374455232 /nfs/dbraw/zinc/45/52/32/374455232.db2.gz RJTSGSZZSPBVLY-GHMZBOCLSA-N 1 0 294.355 1.773 20 5 CDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCC[NH2+]1 ZINC000080998315 374488803 /nfs/dbraw/zinc/48/88/03/374488803.db2.gz AHNNUBWPVUMTIL-AWEZNQCLSA-N 1 0 291.351 1.786 20 5 CDBDRO C[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@H](C)[NH2+]1 ZINC000081588889 374526771 /nfs/dbraw/zinc/52/67/71/374526771.db2.gz AVSLMPGJIWNLRZ-AOOOYVTPSA-N 1 0 287.323 1.725 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000424037180 246300738 /nfs/dbraw/zinc/30/07/38/246300738.db2.gz VPQJGCPOJNDKAF-UHFFFAOYSA-N 1 0 291.311 1.153 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000070172627 374654012 /nfs/dbraw/zinc/65/40/12/374654012.db2.gz MNVVFEGQNRASLS-DTWKUNHWSA-N 1 0 283.353 1.856 20 5 CDBDRO Cc1cc(N2CC[NH+](CC(C)(C)O)CC2)ncc1[N+](=O)[O-] ZINC000092048073 374679604 /nfs/dbraw/zinc/67/96/04/374679604.db2.gz IHIDUGFPJPXGLW-UHFFFAOYSA-N 1 0 294.355 1.191 20 5 CDBDRO COc1cc(C[NH2+][C@@H](C)CC(C)(C)O)c([N+](=O)[O-])cc1O ZINC000449452920 374810018 /nfs/dbraw/zinc/81/00/18/374810018.db2.gz VKYHKZGTMOBMBW-VIFPVBQESA-N 1 0 298.339 1.948 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@H]3CCCO3)C2)nc1 ZINC000331365248 374940598 /nfs/dbraw/zinc/94/05/98/374940598.db2.gz CYCUINWRZBJZFE-WCQYABFASA-N 1 0 292.339 1.655 20 5 CDBDRO C[N@H+](CCCCCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000279760055 374957615 /nfs/dbraw/zinc/95/76/15/374957615.db2.gz RISNFFVCYKATMP-CQSZACIVSA-N 1 0 282.340 1.723 20 5 CDBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000331584942 374975436 /nfs/dbraw/zinc/97/54/36/374975436.db2.gz FXSQTALJTYQNRK-UHFFFAOYSA-N 1 0 266.301 1.091 20 5 CDBDRO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000125302540 374993260 /nfs/dbraw/zinc/99/32/60/374993260.db2.gz HAMHQYIUDNXMHV-SCRDCRAPSA-N 1 0 292.335 1.806 20 5 CDBDRO C[C@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000162346547 375330427 /nfs/dbraw/zinc/33/04/27/375330427.db2.gz IDMWJHDAYXLKRI-AAEUAGOBSA-N 1 0 279.340 1.925 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N3C[C@@H]4C[C@H]3C[NH2+]4)c21 ZINC000600960856 375381678 /nfs/dbraw/zinc/38/16/78/375381678.db2.gz DWYPRNNGVGGBLR-IUCAKERBSA-N 1 0 271.280 1.089 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000132055294 375400810 /nfs/dbraw/zinc/40/08/10/375400810.db2.gz QCRJIIUUFGBLHQ-GHMZBOCLSA-N 1 0 277.324 1.713 20 5 CDBDRO CCC(C)(C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266769507 375422537 /nfs/dbraw/zinc/42/25/37/375422537.db2.gz WEAXNUUJJPDYPX-NSHDSACASA-N 1 0 270.333 1.273 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000230142503 375524591 /nfs/dbraw/zinc/52/45/91/375524591.db2.gz VOBYNTWXXZSOLR-UHFFFAOYSA-N 1 0 296.302 1.094 20 5 CDBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000132649657 375551494 /nfs/dbraw/zinc/55/14/94/375551494.db2.gz WXHDRBPRWFLEFZ-SECBINFHSA-N 1 0 295.314 1.933 20 5 CDBDRO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000132751200 375583193 /nfs/dbraw/zinc/58/31/93/375583193.db2.gz LPMMYAVARDKJCV-QPUJVOFHSA-N 1 0 281.287 1.543 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H]3CCC[C@H]32)c1 ZINC000426459231 247029464 /nfs/dbraw/zinc/02/94/64/247029464.db2.gz JVHADCJECVPPSH-CMPLNLGQSA-N 1 0 250.302 1.666 20 5 CDBDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000227979319 375658802 /nfs/dbraw/zinc/65/88/02/375658802.db2.gz RNNXDFACXWKVEW-GXFFZTMASA-N 1 0 266.297 1.224 20 5 CDBDRO C[C@H]1[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000354621749 375733939 /nfs/dbraw/zinc/73/39/39/375733939.db2.gz YTJHRKMULTZRHW-JOYOIKCWSA-N 1 0 293.323 1.513 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCN2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357086336 375884284 /nfs/dbraw/zinc/88/42/84/375884284.db2.gz UZKDORMDUDRVGR-QWHCGFSZSA-N 1 0 291.351 1.515 20 5 CDBDRO C[N@@H+]1CC[C@](O)(CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000358323363 375959797 /nfs/dbraw/zinc/95/97/97/375959797.db2.gz ANNKBEBKOBFNMO-LBPRGKRZSA-N 1 0 269.276 1.212 20 5 CDBDRO COC[C@H](CCO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000219111469 375950004 /nfs/dbraw/zinc/95/00/04/375950004.db2.gz ZGOLXJSANCLWJT-VIFPVBQESA-N 1 0 260.315 1.143 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435245578 248161283 /nfs/dbraw/zinc/16/12/83/248161283.db2.gz CSFQBWSCXDLPGU-CQSZACIVSA-N 1 0 291.351 1.930 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000189307077 377228801 /nfs/dbraw/zinc/22/88/01/377228801.db2.gz OQUTYFVGEBWQJR-GZMMTYOYSA-N 1 0 281.287 1.604 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CC[N@@H+]1C ZINC000357405704 377343341 /nfs/dbraw/zinc/34/33/41/377343341.db2.gz BQBTYOGGTUSEQK-VHSXEESVSA-N 1 0 280.328 1.146 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](OCCO)C2)cc1 ZINC000172301841 377431881 /nfs/dbraw/zinc/43/18/81/377431881.db2.gz ZPPIZQNJEFKCGV-HNNXBMFYSA-N 1 0 294.351 1.611 20 5 CDBDRO CC[C@H](O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294304418 377404091 /nfs/dbraw/zinc/40/40/91/377404091.db2.gz NMQOLZBDHQDOTB-SCZZXKLOSA-N 1 0 253.302 1.599 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2C[C@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000129553280 377718984 /nfs/dbraw/zinc/71/89/84/377718984.db2.gz MJEAXRNQAKFHIU-STQMWFEESA-N 1 0 280.324 1.852 20 5 CDBDRO C[C@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCC[N@@H+]1C ZINC000345290859 377815976 /nfs/dbraw/zinc/81/59/76/377815976.db2.gz MHNSNNPACRSGAL-ONGXEEELSA-N 1 0 292.339 1.390 20 5 CDBDRO O=c1c(Cl)cc([N+](=O)[O-])cn1CC[NH+]1CCCCC1 ZINC000357551508 378190335 /nfs/dbraw/zinc/19/03/35/378190335.db2.gz UWSUVTQQRVYLSB-UHFFFAOYSA-N 1 0 285.731 1.896 20 5 CDBDRO COC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000278694754 194108204 /nfs/dbraw/zinc/10/82/04/194108204.db2.gz QFOCGSPTFXVDBS-UONOGXRCSA-N 1 0 280.324 1.878 20 5 CDBDRO C[N@H+](C[C@@H](O)CN1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000289455076 197356009 /nfs/dbraw/zinc/35/60/09/197356009.db2.gz FKAGXUOEKILPSO-CQSZACIVSA-N 1 0 291.351 1.412 20 5 CDBDRO C[NH+](C)CCSCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000446574738 250299197 /nfs/dbraw/zinc/29/91/97/250299197.db2.gz VSYYZLCRBGKEJE-UHFFFAOYSA-N 1 0 283.353 1.828 20 5 CDBDRO CC(C)[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000446732360 250309729 /nfs/dbraw/zinc/30/97/29/250309729.db2.gz QUALMUQMKIFHKM-SNVBAGLBSA-N 1 0 252.318 1.806 20 5 CDBDRO CCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CC1 ZINC000174651574 379547744 /nfs/dbraw/zinc/54/77/44/379547744.db2.gz AILULMQHTJHPHP-CYBMUJFWSA-N 1 0 282.344 1.274 20 5 CDBDRO C[C@@H](O)CC[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000174792578 379578450 /nfs/dbraw/zinc/57/84/50/379578450.db2.gz OIPHJRQRNDDVMZ-YPMHNXCESA-N 1 0 298.339 1.037 20 5 CDBDRO CCOCC[N@H+](CC)CCn1cc([N+](=O)[O-])cn1 ZINC000174853112 379592339 /nfs/dbraw/zinc/59/23/39/379592339.db2.gz VAOROKWGDROTQN-UHFFFAOYSA-N 1 0 256.306 1.150 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)[NH+](C)C ZINC000288244537 197034978 /nfs/dbraw/zinc/03/49/78/197034978.db2.gz XEZMIUJJGJLEGV-MRVPVSSYSA-N 1 0 255.322 1.482 20 5 CDBDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000288544582 197108143 /nfs/dbraw/zinc/10/81/43/197108143.db2.gz AEIRTBRVJVZOLO-HUBLWGQQSA-N 1 0 294.351 1.721 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000449707162 250978737 /nfs/dbraw/zinc/97/87/37/250978737.db2.gz CVLJZJIZUPOOAE-GHMZBOCLSA-N 1 0 293.323 1.217 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280930912 195034033 /nfs/dbraw/zinc/03/40/33/195034033.db2.gz VDQZTSIEPNBHIX-DOMZBBRYSA-N 1 0 289.335 1.601 20 5 CDBDRO C[C@@H](Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)[NH+](C)C ZINC000487901968 252914209 /nfs/dbraw/zinc/91/42/09/252914209.db2.gz WZVSXNWMDKKAOX-JTQLQIEISA-N 1 0 275.308 1.860 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491875254 253110600 /nfs/dbraw/zinc/11/06/00/253110600.db2.gz XUKLIRBSWAZVBI-LJTDUEICSA-N 1 0 289.335 1.818 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493453588 253464784 /nfs/dbraw/zinc/46/47/84/253464784.db2.gz AQMVZXYQOAAJJK-BXQPDHIASA-N 1 0 275.308 1.556 20 5 CDBDRO COCCN(CC[NH+](C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000289189914 197258370 /nfs/dbraw/zinc/25/83/70/197258370.db2.gz BKNJLNPODWICNZ-UHFFFAOYSA-N 1 0 281.356 1.605 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@@H]2CCCNC2)n1 ZINC000423357955 285169056 /nfs/dbraw/zinc/16/90/56/285169056.db2.gz MRLYJRRUBZJRKM-AGIUHOORSA-N 1 0 293.371 1.617 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000261574357 390474634 /nfs/dbraw/zinc/47/46/34/390474634.db2.gz AZVBKBMFLMRJLN-UWVGGRQHSA-N 1 0 267.304 1.903 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H](F)C2)c1 ZINC000451192307 390604472 /nfs/dbraw/zinc/60/44/72/390604472.db2.gz SLDCTNVCLPCLLT-CMPLNLGQSA-N 1 0 284.287 1.378 20 5 CDBDRO Cc1cc(=O)n(CC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000283856529 195932066 /nfs/dbraw/zinc/93/20/66/195932066.db2.gz HMVQAEXZWLGCNY-GFCCVEGCSA-N 1 0 279.340 1.939 20 5 CDBDRO C[C@H]1[NH2+]CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000436070028 391176520 /nfs/dbraw/zinc/17/65/20/391176520.db2.gz ZQYPAJJDEOBKIX-NEPJUHHUSA-N 1 0 279.340 1.656 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415377724 391376532 /nfs/dbraw/zinc/37/65/32/391376532.db2.gz BKEYRZXJALVQQI-ONGXEEELSA-N 1 0 293.327 1.145 20 5 CDBDRO C[C@H]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000415387063 391396733 /nfs/dbraw/zinc/39/67/33/391396733.db2.gz QHZURADXIANROY-GXSJLCMTSA-N 1 0 293.327 1.003 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C1C[NH2+]C1 ZINC000415651887 391470890 /nfs/dbraw/zinc/47/08/90/391470890.db2.gz GWYFLDCMLCLOOS-UHFFFAOYSA-N 1 0 294.311 1.429 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000415760131 391471487 /nfs/dbraw/zinc/47/14/87/391471487.db2.gz JWXBLQUJCZQTLJ-NSHDSACASA-N 1 0 292.339 1.983 20 5 CDBDRO C[C@@H](C[NH3+])NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000262552516 391795609 /nfs/dbraw/zinc/79/56/09/391795609.db2.gz ZETSQVDUJXNOBR-JTQLQIEISA-N 1 0 280.328 1.250 20 5 CDBDRO CC[NH+](CC)[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192471219 130455370 /nfs/dbraw/zinc/45/53/70/130455370.db2.gz LZHHIMKYKIBOJZ-SECBINFHSA-N 1 0 270.358 1.972 20 5 CDBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000193622616 391908022 /nfs/dbraw/zinc/90/80/22/391908022.db2.gz HCKAEFPJNNKAJV-MFKMUULPSA-N 1 0 277.324 1.252 20 5 CDBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000248929254 131118789 /nfs/dbraw/zinc/11/87/89/131118789.db2.gz MDHFIZDETZNMER-GWCFXTLKSA-N 1 0 250.298 1.798 20 5 CDBDRO C[C@@H]([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000261844763 131172862 /nfs/dbraw/zinc/17/28/62/131172862.db2.gz LLKXEZVSDYYKCY-ZCFIWIBFSA-N 1 0 257.677 1.212 20 5 CDBDRO O=C(CC[C@H]1CC[NH2+]C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000261912811 131177344 /nfs/dbraw/zinc/17/73/44/131177344.db2.gz WRUHZRNJMHHKFM-NSHDSACASA-N 1 0 289.335 1.874 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000261972297 131180106 /nfs/dbraw/zinc/18/01/06/131180106.db2.gz DRJWGYZKJLLESE-VHSXEESVSA-N 1 0 292.339 1.376 20 5 CDBDRO COc1cc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000153662088 392741397 /nfs/dbraw/zinc/74/13/97/392741397.db2.gz HFQZCJZRONLTEY-NXEZZACHSA-N 1 0 293.323 1.426 20 5 CDBDRO Cc1nc(N[C@@H](C)CCCC[NH3+])ncc1[N+](=O)[O-] ZINC000420254568 392914935 /nfs/dbraw/zinc/91/49/35/392914935.db2.gz DLLCOSSCACPRCY-QMMMGPOBSA-N 1 0 253.306 1.623 20 5 CDBDRO [NH3+]CCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418309703 392880335 /nfs/dbraw/zinc/88/03/35/392880335.db2.gz WXDKPNBDKASFQV-UHFFFAOYSA-N 1 0 278.312 1.228 20 5 CDBDRO COc1cc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000489191229 392946076 /nfs/dbraw/zinc/94/60/76/392946076.db2.gz XICDFLNHIYALKJ-HNNXBMFYSA-N 1 0 292.335 1.950 20 5 CDBDRO CSc1ccc(C(=O)NC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000194853831 392961694 /nfs/dbraw/zinc/96/16/94/392961694.db2.gz XKFXMUKNTBFAGU-ZETCQYMHSA-N 1 0 269.326 1.394 20 5 CDBDRO Cc1c(CC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000423587156 392964198 /nfs/dbraw/zinc/96/41/98/392964198.db2.gz FKBFUXLYVWPGLR-CHWSQXEVSA-N 1 0 291.351 1.832 20 5 CDBDRO C[C@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000423996746 392968243 /nfs/dbraw/zinc/96/82/43/392968243.db2.gz KQYXGQHCSMZZOT-UWVGGRQHSA-N 1 0 292.339 1.234 20 5 CDBDRO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H](C)S1 ZINC000531143302 393056697 /nfs/dbraw/zinc/05/66/97/393056697.db2.gz QKWUNVYKFQKHHF-AOOOYVTPSA-N 1 0 270.358 1.617 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)C2CCC2)c1 ZINC000316649736 393059166 /nfs/dbraw/zinc/05/91/66/393059166.db2.gz VRGFVHQXXADASN-ZDUSSCGKSA-N 1 0 250.298 1.845 20 5 CDBDRO C[NH2+]C1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000430953731 393107471 /nfs/dbraw/zinc/10/74/71/393107471.db2.gz CHVUQNLQENCBSP-UHFFFAOYSA-N 1 0 267.304 1.918 20 5 CDBDRO O=[N+]([O-])c1cnn(CCN2CC[NH2+]Cc3ccccc32)c1 ZINC000430939832 393107850 /nfs/dbraw/zinc/10/78/50/393107850.db2.gz HVTYYZPSLQBCGJ-UHFFFAOYSA-N 1 0 287.323 1.401 20 5 CDBDRO COCC[C@@H](CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000282083867 393171541 /nfs/dbraw/zinc/17/15/41/393171541.db2.gz CBCAHJXZIFUXTB-NSHDSACASA-N 1 0 284.312 1.090 20 5 CDBDRO CC[NH+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000275352951 393113401 /nfs/dbraw/zinc/11/34/01/393113401.db2.gz JZFVISAYIJAGHE-UHFFFAOYSA-N 1 0 276.340 1.705 20 5 CDBDRO C[C@@H]([NH2+]C1CC1)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000449070105 393129291 /nfs/dbraw/zinc/12/92/91/393129291.db2.gz JFVVTQOSEHAGBV-SNVBAGLBSA-N 1 0 292.339 1.263 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C1([NH3+])CCC1 ZINC000449235142 393132188 /nfs/dbraw/zinc/13/21/88/393132188.db2.gz FBXXYLPWGSCQKP-UHFFFAOYSA-N 1 0 279.296 1.101 20 5 CDBDRO COc1cc(C[NH2+]C[C@H](O)C2CCC2)c([N+](=O)[O-])cc1O ZINC000449739416 393138656 /nfs/dbraw/zinc/13/86/56/393138656.db2.gz KULCKDXWOQTFLB-ZDUSSCGKSA-N 1 0 296.323 1.560 20 5 CDBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000275196758 135104256 /nfs/dbraw/zinc/10/42/56/135104256.db2.gz AIUIVIZJILYMRI-VXGBXAGGSA-N 1 0 279.340 1.486 20 5 CDBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000186338909 140059446 /nfs/dbraw/zinc/05/94/46/140059446.db2.gz VBCNEZKWRVLFTK-STQMWFEESA-N 1 0 296.371 1.975 20 5 CDBDRO COc1ccc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000189307895 140112167 /nfs/dbraw/zinc/11/21/67/140112167.db2.gz QITRQLMVTWDBFH-GXSJLCMTSA-N 1 0 293.323 1.474 20 5 CDBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]CC1 ZINC000231473152 140216114 /nfs/dbraw/zinc/21/61/14/140216114.db2.gz MDSRQTAZFKNWFW-CYBMUJFWSA-N 1 0 291.351 1.738 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CCC[NH2+]CC1 ZINC000231470409 140216594 /nfs/dbraw/zinc/21/65/94/140216594.db2.gz FAYCTTQZTHGVHD-SECBINFHSA-N 1 0 267.285 1.402 20 5 CDBDRO O=[N+]([O-])c1cncc(Br)c1N[C@H]1CC[NH2+]C1 ZINC000232480009 140223015 /nfs/dbraw/zinc/22/30/15/140223015.db2.gz OGBPKEJLCCYCQO-LURJTMIESA-N 1 0 287.117 1.526 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250460760 140304964 /nfs/dbraw/zinc/30/49/64/140304964.db2.gz WVDGXPAKMFJDRJ-GXSJLCMTSA-N 1 0 281.360 1.683 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261622710 140365209 /nfs/dbraw/zinc/36/52/09/140365209.db2.gz GROYUFJSHBMRBI-CQSZACIVSA-N 1 0 290.323 1.812 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]C1 ZINC000423197384 397602291 /nfs/dbraw/zinc/60/22/91/397602291.db2.gz ZERNPAOSDGRJKV-WCQYABFASA-N 1 0 263.341 1.867 20 5 CDBDRO CN1CCC[C@H]([N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000558740194 397721954 /nfs/dbraw/zinc/72/19/54/397721954.db2.gz BAGSVXHFNNQSHZ-AWEZNQCLSA-N 1 0 291.351 1.690 20 5 CDBDRO COC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000262381847 149055816 /nfs/dbraw/zinc/05/58/16/149055816.db2.gz XZBURFVIDWNYMG-ONGXEEELSA-N 1 0 281.312 1.054 20 5 CDBDRO Cc1cc(F)cc(C(=O)NCC[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000262568250 149075352 /nfs/dbraw/zinc/07/53/52/149075352.db2.gz AQKVRPWYSSLTPF-SNVBAGLBSA-N 1 0 295.314 1.772 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000262577715 149077791 /nfs/dbraw/zinc/07/77/91/149077791.db2.gz LNZZPPSTWYJSCS-JTQLQIEISA-N 1 0 293.323 1.333 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COC[C@@H]2O)cc1[N+](=O)[O-] ZINC000323366553 149263919 /nfs/dbraw/zinc/26/39/19/149263919.db2.gz DAIBJHXKOMYXKR-NDMJEZRESA-N 1 0 266.297 1.314 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000334041752 149305991 /nfs/dbraw/zinc/30/59/91/149305991.db2.gz BKGDHGIAKASCEM-QWRGUYRKSA-N 1 0 277.324 1.807 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000343419342 152165582 /nfs/dbraw/zinc/16/55/82/152165582.db2.gz QAHHQDWDWDQIED-YPMHNXCESA-N 1 0 291.351 1.941 20 5 CDBDRO C[C@H]1C[N@H+](C)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000343774071 152298588 /nfs/dbraw/zinc/29/85/88/152298588.db2.gz AZYSCJGDPXEACI-LBPRGKRZSA-N 1 0 279.340 1.610 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]1(O)CCOC1 ZINC000344846701 152664010 /nfs/dbraw/zinc/66/40/10/152664010.db2.gz BVTRIXTXMUFNPV-BLMSOEDDSA-N 1 0 292.335 1.739 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346147417 153070812 /nfs/dbraw/zinc/07/08/12/153070812.db2.gz WLSDORJPJOMFKC-MRVPVSSYSA-N 1 0 285.731 1.928 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000261631272 292282694 /nfs/dbraw/zinc/28/26/94/292282694.db2.gz WAJPKIPGGMUFIW-MWLCHTKSSA-N 1 0 263.297 1.465 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH3+])C1 ZINC000346649216 153257554 /nfs/dbraw/zinc/25/75/54/153257554.db2.gz NRNQDQBUXOOXIG-LLVKDONJSA-N 1 0 265.313 1.527 20 5 CDBDRO COc1ccc(CN(C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000347098793 153411630 /nfs/dbraw/zinc/41/16/30/153411630.db2.gz IPRZSYDRSWTIDU-SECBINFHSA-N 1 0 253.302 1.382 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351746833 154683489 /nfs/dbraw/zinc/68/34/89/154683489.db2.gz HJBAAWGGUWOEEC-WPRPVWTQSA-N 1 0 278.312 1.108 20 5 CDBDRO C[C@@H]1CSC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000352797203 155440506 /nfs/dbraw/zinc/44/05/06/155440506.db2.gz IFCDJJZXNPQLNG-RKDXNWHRSA-N 1 0 256.331 1.132 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CC[C@H](CO)O2)c1 ZINC000353711975 156033630 /nfs/dbraw/zinc/03/36/30/156033630.db2.gz UZLBONAPBDWNGP-QWHCGFSZSA-N 1 0 266.297 1.224 20 5 CDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000359200260 158160681 /nfs/dbraw/zinc/16/06/81/158160681.db2.gz ALPLFBGXFCRADO-SNVBAGLBSA-N 1 0 283.353 1.870 20 5 CDBDRO Cc1ccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000359472888 158257343 /nfs/dbraw/zinc/25/73/43/158257343.db2.gz MSHJJBPITCNMNI-STQMWFEESA-N 1 0 261.325 1.554 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CO)C2CCOCC2)c1 ZINC000359852774 158399009 /nfs/dbraw/zinc/39/90/09/158399009.db2.gz VRJWTZSUUPKEAE-AWEZNQCLSA-N 1 0 280.324 1.472 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC([C@H]3CCOC3)CC2)n1 ZINC000371753688 160047686 /nfs/dbraw/zinc/04/76/86/160047686.db2.gz PSMVOOSDKSVMON-ZDUSSCGKSA-N 1 0 294.355 1.540 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H]([NH+](C)C)CC1 ZINC000372993936 160163519 /nfs/dbraw/zinc/16/35/19/160163519.db2.gz YJBJZRNGJVUZDM-NSHDSACASA-N 1 0 281.360 1.244 20 5 CDBDRO C[C@H](O)CCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284931154 196159160 /nfs/dbraw/zinc/15/91/60/196159160.db2.gz DLTRNBVWXULFIV-UWVGGRQHSA-N 1 0 267.329 1.989 20 5 CDBDRO C[C@@H]([NH2+]CCC[C@H](C)O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284931157 196159173 /nfs/dbraw/zinc/15/91/73/196159173.db2.gz DLTRNBVWXULFIV-VHSXEESVSA-N 1 0 267.329 1.989 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[NH+](C)C ZINC000192889879 270301192 /nfs/dbraw/zinc/30/11/92/270301192.db2.gz MTLBBTWRTRYPIG-UHFFFAOYSA-N 1 0 265.313 1.585 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCC[NH2+]1 ZINC000037810220 173753778 /nfs/dbraw/zinc/75/37/78/173753778.db2.gz GAFTYUJMZXUFNZ-LBPRGKRZSA-N 1 0 277.324 1.695 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000044286142 175159254 /nfs/dbraw/zinc/15/92/54/175159254.db2.gz SQKHEKARRYLMNO-JTQLQIEISA-N 1 0 283.353 1.870 20 5 CDBDRO [NH3+]CC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000044513129 175188969 /nfs/dbraw/zinc/18/89/69/175188969.db2.gz ZELMMNWNGCAYFF-UHFFFAOYSA-N 1 0 278.312 1.797 20 5 CDBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286385565 196587287 /nfs/dbraw/zinc/58/72/87/196587287.db2.gz CMGQZIMKKZOCJU-UHFFFAOYSA-N 1 0 295.343 1.266 20 5 CDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ncccc1[N+](=O)[O-] ZINC000078543592 177352424 /nfs/dbraw/zinc/35/24/24/177352424.db2.gz FLUCKOQQBLDZEE-NSHDSACASA-N 1 0 279.344 1.038 20 5 CDBDRO C[C@@H](NC(=O)N1CCC[C@@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000417992526 227395767 /nfs/dbraw/zinc/39/57/67/227395767.db2.gz WNYFBHNHJYHHHO-GHMZBOCLSA-N 1 0 292.339 1.789 20 5 CDBDRO [NH3+]C[C@H](Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000517930831 260322778 /nfs/dbraw/zinc/32/27/78/260322778.db2.gz MMDQZPJASVYDGK-SNVBAGLBSA-N 1 0 264.260 1.673 20 5 CDBDRO Cc1c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000185123945 262302400 /nfs/dbraw/zinc/30/24/00/262302400.db2.gz IVQNYPOOGAOARB-UHTWSYAYSA-N 1 0 289.335 1.713 20 5 CDBDRO C[C@H](C(=O)N1CC([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000518881280 265192951 /nfs/dbraw/zinc/19/29/51/265192951.db2.gz UPXSAVWVOMFWBB-JTQLQIEISA-N 1 0 277.324 1.471 20 5 CDBDRO COc1cc(NC[C@@H]2C[NH2+]CCN2C)c([N+](=O)[O-])cc1F ZINC000394821682 270339169 /nfs/dbraw/zinc/33/91/69/270339169.db2.gz PVNRBIICLNNLPK-VIFPVBQESA-N 1 0 298.318 1.058 20 5 CDBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H]1C[NH3+] ZINC000397285919 270347941 /nfs/dbraw/zinc/34/79/41/270347941.db2.gz UUJXSEQJLUPLHB-GMTAPVOTSA-N 1 0 294.355 1.379 20 5 CDBDRO Cc1nc(NC(=O)C23CCC[NH+]2CCC3)ccc1[N+](=O)[O-] ZINC000369329719 274843496 /nfs/dbraw/zinc/84/34/96/274843496.db2.gz IOIWVKGNDDWNKV-UHFFFAOYSA-N 1 0 290.323 1.865 20 5 CDBDRO CC(C)([NH3+])CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135241366 275551892 /nfs/dbraw/zinc/55/18/92/275551892.db2.gz PVPCYZPLKNXYKE-UHFFFAOYSA-N 1 0 255.249 1.201 20 5 CDBDRO CC1(C)CN(c2c(F)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000261575533 276135194 /nfs/dbraw/zinc/13/51/94/276135194.db2.gz NEKBQKPTMLWAIB-UHFFFAOYSA-N 1 0 253.277 1.922 20 5 CDBDRO CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000071310138 276746499 /nfs/dbraw/zinc/74/64/99/276746499.db2.gz SQIJZTFYAPNNCS-SECBINFHSA-N 1 0 283.715 1.682 20 5 CDBDRO CN1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000344606351 276899450 /nfs/dbraw/zinc/89/94/50/276899450.db2.gz UXROOOLOQBWILG-GFCCVEGCSA-N 1 0 263.297 1.305 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000127699038 277028152 /nfs/dbraw/zinc/02/81/52/277028152.db2.gz UHPDVEPCZXFRAF-LBPRGKRZSA-N 1 0 277.324 1.727 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000129434866 277274600 /nfs/dbraw/zinc/27/46/00/277274600.db2.gz NEJJIIIMPNXIFH-SECBINFHSA-N 1 0 265.313 1.489 20 5 CDBDRO CC(C)c1ccc(C(=O)NCCC[NH3+])cc1[N+](=O)[O-] ZINC000422719642 278030560 /nfs/dbraw/zinc/03/05/60/278030560.db2.gz ZBCSCXGXXSQZOX-UHFFFAOYSA-N 1 0 265.313 1.797 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000274395564 278184041 /nfs/dbraw/zinc/18/40/41/278184041.db2.gz FGSCZVVJQDCYEV-SECBINFHSA-N 1 0 279.340 1.969 20 5 CDBDRO C[C@@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000190838406 278394708 /nfs/dbraw/zinc/39/47/08/278394708.db2.gz ZQVQLFNEJNWSDS-WDEREUQCSA-N 1 0 268.313 1.158 20 5 CDBDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000331063510 278471054 /nfs/dbraw/zinc/47/10/54/278471054.db2.gz PHAXOYUKIURQOV-NXEZZACHSA-N 1 0 252.318 1.997 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000070175932 278477194 /nfs/dbraw/zinc/47/71/94/278477194.db2.gz CVLDHLBIKCSZCI-RNCFNFMXSA-N 1 0 295.314 1.933 20 5 CDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ncc([N+](=O)[O-])cn1 ZINC000273559799 288075736 /nfs/dbraw/zinc/07/57/36/288075736.db2.gz BIZCKMONUAWHGO-KOLCDFICSA-N 1 0 265.317 1.161 20 5 CDBDRO O=C(C[C@H]1CC[NH2+]C1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000127856649 279545109 /nfs/dbraw/zinc/54/51/09/279545109.db2.gz OWGCDQIMHZDBNE-LLVKDONJSA-N 1 0 292.339 1.123 20 5 CDBDRO [NH3+][C@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000133124611 279730649 /nfs/dbraw/zinc/73/06/49/279730649.db2.gz MRTCWNFUHCWJMR-ZHAHRWAOSA-N 1 0 275.308 1.462 20 5 CDBDRO C[NH+](C)Cc1cccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000135753582 279826732 /nfs/dbraw/zinc/82/67/32/279826732.db2.gz BMVGOZZOQBVVMG-UHFFFAOYSA-N 1 0 289.295 1.632 20 5 CDBDRO C[C@H]1C[NH2+]CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000262008057 279907030 /nfs/dbraw/zinc/90/70/30/279907030.db2.gz IOZZYSJPYBDDPL-VIFPVBQESA-N 1 0 289.291 1.775 20 5 CDBDRO CC(C)[N@H+](CCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000195128637 280071141 /nfs/dbraw/zinc/07/11/41/280071141.db2.gz MARLQIDOAMUELO-CYBMUJFWSA-N 1 0 298.339 1.037 20 5 CDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]1 ZINC000211394943 280085744 /nfs/dbraw/zinc/08/57/44/280085744.db2.gz WIGSSPXQRIRTQJ-QDZRJHCZSA-N 1 0 275.308 1.476 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000236081145 280128261 /nfs/dbraw/zinc/12/82/61/280128261.db2.gz SZQQSZMUBZEXJE-LLVKDONJSA-N 1 0 280.328 1.181 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000237522727 280178913 /nfs/dbraw/zinc/17/89/13/280178913.db2.gz DUNXWAHVRFDLDO-RNCFNFMXSA-N 1 0 292.339 1.498 20 5 CDBDRO Cc1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])nn1C ZINC000414442459 280472197 /nfs/dbraw/zinc/47/21/97/280472197.db2.gz QFVLUELTPWLVFP-UHFFFAOYSA-N 1 0 289.339 1.602 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261599390 280664797 /nfs/dbraw/zinc/66/47/97/280664797.db2.gz PNTXMNJBKFQZIB-GHMZBOCLSA-N 1 0 262.313 1.344 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000430618226 289777969 /nfs/dbraw/zinc/77/79/69/289777969.db2.gz RYMLUKFYYCEVCD-UWVGGRQHSA-N 1 0 267.333 1.030 20 5 CDBDRO C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]1 ZINC000564826496 293424686 /nfs/dbraw/zinc/42/46/86/293424686.db2.gz QBGDEXCXVORCTF-BXUZGUMPSA-N 1 0 279.340 1.704 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)[C@@H]1CCOC1 ZINC000565218820 293566656 /nfs/dbraw/zinc/56/66/56/293566656.db2.gz RULJTNMFJKXJRP-DGFSRKRXSA-N 1 0 292.335 1.569 20 5 CDBDRO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000573741702 294879415 /nfs/dbraw/zinc/87/94/15/294879415.db2.gz KYQVJBGWGFDSKX-RISCZKNCSA-N 1 0 289.335 1.793 20 5 CDBDRO COc1cccc(C(=O)N[C@@H](C)CCC[NH3+])c1[N+](=O)[O-] ZINC000566213884 316516952 /nfs/dbraw/zinc/51/69/52/316516952.db2.gz AASOFBFCSMXDEV-VIFPVBQESA-N 1 0 281.312 1.461 20 5 CDBDRO CC(C)NC(=O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566473391 316607331 /nfs/dbraw/zinc/60/73/31/316607331.db2.gz APXLKMBEFABNSL-LBPRGKRZSA-N 1 0 277.324 1.696 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000378919178 323596625 /nfs/dbraw/zinc/59/66/25/323596625.db2.gz CGLUSBZROVCVEM-LLVKDONJSA-N 1 0 280.328 1.051 20 5 CDBDRO C[C@H]1[NH2+]CCN(CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000379423926 323598377 /nfs/dbraw/zinc/59/83/77/323598377.db2.gz CIQUMNIPEQEFRG-NEPJUHHUSA-N 1 0 263.341 1.820 20 5 CDBDRO COC[C@@](C)(O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000382541790 323645409 /nfs/dbraw/zinc/64/54/09/323645409.db2.gz BDPKVMFWXYHNSU-MFKMUULPSA-N 1 0 268.313 1.643 20 5 CDBDRO [NH3+]CC[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(F)F ZINC000383433311 323666469 /nfs/dbraw/zinc/66/64/69/323666469.db2.gz CVEPCSKRBFOBOT-SNVBAGLBSA-N 1 0 287.266 1.236 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC(=N)SCC[NH3+])n1 ZINC001167915807 1159952853 /nfs/dbraw/zinc/95/28/53/1159952853.db2.gz YEQCEBPRTQGOEN-UHFFFAOYSA-N 1 0 255.303 1.337 20 5 CDBDRO CC(C)C[C@@H]([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943219 519224693 /nfs/dbraw/zinc/22/46/93/519224693.db2.gz IZQNVPJBPJZMSR-GFCCVEGCSA-N 1 0 265.313 1.584 20 5 CDBDRO CC(C)NC(=O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000035135998 519708664 /nfs/dbraw/zinc/70/86/64/519708664.db2.gz YFJSSPBACNLOIO-UHFFFAOYSA-N 1 0 251.286 1.209 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272454675 533892404 /nfs/dbraw/zinc/89/24/04/533892404.db2.gz NUYQXQLYQYLXAJ-SECBINFHSA-N 1 0 280.328 1.247 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000236822930 519917070 /nfs/dbraw/zinc/91/70/70/519917070.db2.gz HETYXEATYFHCFB-UHFFFAOYSA-N 1 0 279.340 1.887 20 5 CDBDRO CCc1nn(C)c(N2CC[C@@H]([NH3+])[C@@H](C)C2)c1[N+](=O)[O-] ZINC000227078298 522667340 /nfs/dbraw/zinc/66/73/40/522667340.db2.gz ALJDQWWPCFDRLY-DTWKUNHWSA-N 1 0 267.333 1.064 20 5 CDBDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037997192 523968729 /nfs/dbraw/zinc/96/87/29/523968729.db2.gz ILWCTGIVNWRIIF-NSHDSACASA-N 1 0 279.340 1.989 20 5 CDBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000184976264 527416747 /nfs/dbraw/zinc/41/67/47/527416747.db2.gz YGXMPUJNZAPKNG-UHTWSYAYSA-N 1 0 275.308 1.404 20 5 CDBDRO Nc1c(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000157322177 527427771 /nfs/dbraw/zinc/42/77/71/527427771.db2.gz FSZOJMZPJGSFHT-VIFPVBQESA-N 1 0 290.323 1.144 20 5 CDBDRO CC(C)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000304294739 528932449 /nfs/dbraw/zinc/93/24/49/528932449.db2.gz FDOISTBSXJHNHZ-CYBMUJFWSA-N 1 0 282.344 1.415 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000414697139 536372578 /nfs/dbraw/zinc/37/25/78/536372578.db2.gz HZCZWRZCPAGWRS-SNVBAGLBSA-N 1 0 278.312 1.729 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000269108522 536373873 /nfs/dbraw/zinc/37/38/73/536373873.db2.gz CVPOWGWQMBQASK-MRVPVSSYSA-N 1 0 283.715 1.682 20 5 CDBDRO COc1ccc(NC(=O)CC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000261597815 536757661 /nfs/dbraw/zinc/75/76/61/536757661.db2.gz PCDMJMGQQQFDRN-UHFFFAOYSA-N 1 0 293.323 1.932 20 5 CDBDRO COc1ccc(CN2C[C@@H](C)[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000234934960 536860983 /nfs/dbraw/zinc/86/09/83/536860983.db2.gz JICAAVPNCFGMJX-KOLCDFICSA-N 1 0 265.313 1.382 20 5 CDBDRO COCC[N@H+](C)CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000726967856 574529892 /nfs/dbraw/zinc/52/98/92/574529892.db2.gz FLDPGQVAHNUXTA-UHFFFAOYSA-N 1 0 293.327 1.233 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](CO)C1CC1 ZINC000771811860 575616973 /nfs/dbraw/zinc/61/69/73/575616973.db2.gz FDRRGLOCBXKSCY-LLVKDONJSA-N 1 0 293.323 1.202 20 5 CDBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H](CO)C3CC3)nc2c1 ZINC000771816743 575618769 /nfs/dbraw/zinc/61/87/69/575618769.db2.gz FGRVCUTWNMFXQX-NSHDSACASA-N 1 0 277.280 1.597 20 5 CDBDRO COc1ccc(CN2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000761066834 576540549 /nfs/dbraw/zinc/54/05/49/576540549.db2.gz CQVDGUZUYPTASL-LLVKDONJSA-N 1 0 279.340 1.739 20 5 CDBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000761104821 576549020 /nfs/dbraw/zinc/54/90/20/576549020.db2.gz IFVVLRBACUTQTN-OASPWFOLSA-N 1 0 266.297 1.083 20 5 CDBDRO O=C(C[NH2+][C@@H](CCO)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000763067141 576707700 /nfs/dbraw/zinc/70/77/00/576707700.db2.gz OWTOXJHWLNORAP-NSHDSACASA-N 1 0 293.323 1.284 20 5 CDBDRO COc1c(O)ccc(C[N@H+](C)CC(C)(C)O)c1[N+](=O)[O-] ZINC000892044767 617440212 /nfs/dbraw/zinc/44/02/12/617440212.db2.gz OTYYASGRPVVJFV-UHFFFAOYSA-N 1 0 284.312 1.512 20 5 CDBDRO C[C@H](CCNc1ccc(N)cc1[N+](=O)[O-])[NH+](C)C ZINC000853799376 617457550 /nfs/dbraw/zinc/45/75/50/617457550.db2.gz OYDOBWKYAIINFE-SECBINFHSA-N 1 0 252.318 1.929 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)Cc1cccnc1 ZINC000934226304 617497710 /nfs/dbraw/zinc/49/77/10/617497710.db2.gz HSRIYUCBCPGWES-NSHDSACASA-N 1 0 289.339 1.716 20 5 CDBDRO C[C@]1(NC(=O)c2cccc([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC000892802056 617768295 /nfs/dbraw/zinc/76/82/95/617768295.db2.gz TUNHQPOPHZFXFW-HNNXBMFYSA-N 1 0 289.335 1.809 20 5 CDBDRO COCC(C)(C)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892855832 617833034 /nfs/dbraw/zinc/83/30/34/617833034.db2.gz LIMDWBFTNGYBJE-UHFFFAOYSA-N 1 0 284.312 1.824 20 5 CDBDRO C[C@@H]1C[C@@H](Nc2c([N+](=O)[O-])cnn2C)C[N@@H+]1C1CC1 ZINC000892875636 617852499 /nfs/dbraw/zinc/85/24/99/617852499.db2.gz HHEPYFUTWGSHJL-RKDXNWHRSA-N 1 0 265.317 1.365 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@@H](C)[C@H](C)OC)c1[N+](=O)[O-] ZINC000893933552 618192313 /nfs/dbraw/zinc/19/23/13/618192313.db2.gz BBVUHASBQPGFLC-IUCAKERBSA-N 1 0 284.312 1.822 20 5 CDBDRO O=[N+]([O-])c1cc(CN2CC[C@]3(CCC[NH2+]3)C2)cs1 ZINC000841105436 618612445 /nfs/dbraw/zinc/61/24/45/618612445.db2.gz NIURSGWBWYDYDK-GFCCVEGCSA-N 1 0 267.354 1.984 20 5 CDBDRO [NH3+]C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCO1 ZINC000841101590 618682988 /nfs/dbraw/zinc/68/29/88/618682988.db2.gz ZDNVACJWDCJJTJ-LLVKDONJSA-N 1 0 299.758 1.798 20 5 CDBDRO COc1c(O)ccc(C[NH2+]C2CSC2)c1[N+](=O)[O-] ZINC000895434037 619659943 /nfs/dbraw/zinc/65/99/43/619659943.db2.gz RKHVCDNWKOTIJI-UHFFFAOYSA-N 1 0 270.310 1.514 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1C[C@H](O)C1 ZINC000895471453 619690113 /nfs/dbraw/zinc/69/01/13/619690113.db2.gz RCHLXEJMSIROET-MGCOHNPYSA-N 1 0 256.689 1.861 20 5 CDBDRO CNC(=O)CCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801524132 621637255 /nfs/dbraw/zinc/63/72/55/621637255.db2.gz MBNHJCZNJYCIJE-UHFFFAOYSA-N 1 0 283.303 1.692 20 5 CDBDRO COc1ccc([C@H](C[NH2+]CC[N+](=O)[O-])N(C)C)cc1OC ZINC000899859451 622486829 /nfs/dbraw/zinc/48/68/29/622486829.db2.gz JQBJJSPSRWRBSN-LBPRGKRZSA-N 1 0 297.355 1.173 20 5 CDBDRO NOCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000904457245 626301604 /nfs/dbraw/zinc/30/16/04/626301604.db2.gz QIWKZFYLITVLCU-UHFFFAOYSA-N 1 0 259.693 1.618 20 5 CDBDRO CCN(CC[NH2+]CC[N+](=O)[O-])c1cccc(C)c1 ZINC000905027105 626390695 /nfs/dbraw/zinc/39/06/95/626390695.db2.gz PLMDRTAPTKAPBW-UHFFFAOYSA-N 1 0 251.330 1.688 20 5 CDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000905133637 626647805 /nfs/dbraw/zinc/64/78/05/626647805.db2.gz QXSHEIHIBAHEEM-DZGCQCFKSA-N 1 0 293.367 1.142 20 5 CDBDRO COc1ccc(C[C@@H](C)C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905188044 626667260 /nfs/dbraw/zinc/66/72/60/626667260.db2.gz IFIFTABLGJLJIT-LLVKDONJSA-N 1 0 252.314 1.740 20 5 CDBDRO C[C@H](C[NH2+]CC[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000905404501 626798269 /nfs/dbraw/zinc/79/82/69/626798269.db2.gz KNQDNWMDPMBCBS-SNVBAGLBSA-N 1 0 286.353 1.060 20 5 CDBDRO COc1ccc(CN[C@H]2C[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000906508065 627295608 /nfs/dbraw/zinc/29/56/08/627295608.db2.gz JWMGUOSUCBLQIG-MGCOHNPYSA-N 1 0 251.286 1.183 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000911622285 629368969 /nfs/dbraw/zinc/36/89/69/629368969.db2.gz DRCOGYWMRGYISF-BNOWGMLFSA-N 1 0 289.335 1.648 20 5 CDBDRO CC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000911750408 629468848 /nfs/dbraw/zinc/46/88/48/629468848.db2.gz IYLJPNJONKTMQY-UHFFFAOYSA-N 1 0 283.353 1.656 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000911808989 629539656 /nfs/dbraw/zinc/53/96/56/629539656.db2.gz HFYUUVKHJIQHEJ-VIFPVBQESA-N 1 0 295.364 1.751 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)CCO)c([N+](=O)[O-])c1 ZINC001170297907 1162328585 /nfs/dbraw/zinc/32/85/85/1162328585.db2.gz VLYNCJJFNWFFMV-WDEREUQCSA-N 1 0 282.340 1.895 20 5 CDBDRO COc1cc(C)nc(N2CC[C@@](F)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001157812891 1162444324 /nfs/dbraw/zinc/44/43/24/1162444324.db2.gz KVIDRGUQEVLVGS-GFCCVEGCSA-N 1 0 284.291 1.184 20 5 CDBDRO CCOc1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@@H]1C[NH2+]CCO1 ZINC001170568750 1162947027 /nfs/dbraw/zinc/94/70/27/1162947027.db2.gz PBIVNVRYIIRDGF-HZMBPMFUSA-N 1 0 295.339 1.782 20 5 CDBDRO [NH3+]Cc1cnn(-c2ncc(F)c3cc([N+](=O)[O-])ccc32)c1 ZINC001168257466 1160562692 /nfs/dbraw/zinc/56/26/92/1160562692.db2.gz ZTFKHNXVOUQYRS-UHFFFAOYSA-N 1 0 287.254 1.927 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1nccc(Cl)c1[N+](=O)[O-] ZINC001156038507 1161984210 /nfs/dbraw/zinc/98/42/10/1161984210.db2.gz VRCWBPSVHLLWCX-UHFFFAOYSA-N 1 0 267.676 1.596 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865537307 1164658385 /nfs/dbraw/zinc/65/83/85/1164658385.db2.gz GVGJWMXRRVIMCP-JTQLQIEISA-N 1 0 297.330 1.614 20 5 CDBDRO C[C@@H](NC(=O)C[C@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000123765350 1165340137 /nfs/dbraw/zinc/34/01/37/1165340137.db2.gz URIMIUOGPQKPDH-RNCFNFMXSA-N 1 0 277.324 1.899 20 5 CDBDRO C[C@H]([NH3+])CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037608281 1165779212 /nfs/dbraw/zinc/77/92/12/1165779212.db2.gz RCMZVHMGBIDOQB-LURJTMIESA-N 1 0 257.677 1.924 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001155618069 1167261473 /nfs/dbraw/zinc/26/14/73/1167261473.db2.gz KWQKSGWKCFNHQD-GXFFZTMASA-N 1 0 296.302 1.452 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001575317390 1171150191 /nfs/dbraw/zinc/15/01/91/1171150191.db2.gz ALNFWMFLXYCYKZ-UHFFFAOYSA-N 1 0 285.731 1.644 20 5 CDBDRO C[C@@]12C[NH2+]C[C@@H]1CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C2 ZINC001579473977 1172191774 /nfs/dbraw/zinc/19/17/74/1172191774.db2.gz SMDIHFNBLUXQAB-YGRLFVJLSA-N 1 0 293.298 1.415 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N(C1CCC1)C1C[NH2+]C1 ZINC001580570190 1172470688 /nfs/dbraw/zinc/47/06/88/1172470688.db2.gz PQADGAYQEWFJDI-UHFFFAOYSA-N 1 0 289.335 1.490 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CC[NH2+]1 ZINC001580569971 1172471148 /nfs/dbraw/zinc/47/11/48/1172471148.db2.gz JHHWFWRFKQSFSX-VIFPVBQESA-N 1 0 283.715 1.269 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC3(C2)CC[NH2+]C3)c2ccncc21 ZINC001580875087 1172558529 /nfs/dbraw/zinc/55/85/29/1172558529.db2.gz XTLMIQOBCVBANA-UHFFFAOYSA-N 1 0 284.319 1.943 20 5 CDBDRO O=[N+]([O-])c1ncccc1N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001580876732 1172558820 /nfs/dbraw/zinc/55/88/20/1172558820.db2.gz RFABWYQPRBEJMC-LLVKDONJSA-N 1 0 292.339 1.560 20 5 CDBDRO [NH3+][C@H]1C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C12CCC2 ZINC000404634298 1186529475 /nfs/dbraw/zinc/52/94/75/1186529475.db2.gz IMXNFKQYUBFPSL-DTWKUNHWSA-N 1 0 281.337 1.656 20 5 CDBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@]2(CCC[NH2+]2)C1 ZINC000876925002 1165941660 /nfs/dbraw/zinc/94/16/60/1165941660.db2.gz ZCVTXYXBTGLSKH-CQSZACIVSA-N 1 0 293.298 1.702 20 5 CDBDRO CCN(CC(N)=O)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877468284 1166043092 /nfs/dbraw/zinc/04/30/92/1166043092.db2.gz DNJAISUOILPGSH-UHFFFAOYSA-N 1 0 265.313 1.519 20 5 CDBDRO CC[NH+]1CCN(CCNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000853150800 796759828 /nfs/dbraw/zinc/75/98/28/796759828.db2.gz ILSIDEJEBVTHMM-UHFFFAOYSA-N 1 0 293.371 1.226 20 5 CDBDRO [NH3+]CCc1noc(CCNc2ccccc2[N+](=O)[O-])n1 ZINC000843131099 796785508 /nfs/dbraw/zinc/78/55/08/796785508.db2.gz XRODJRNHCJNZPL-UHFFFAOYSA-N 1 0 277.284 1.134 20 5 CDBDRO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000840120784 796871070 /nfs/dbraw/zinc/87/10/70/796871070.db2.gz OOSLREFCJULGHN-TUAOUCFPSA-N 1 0 280.328 1.374 20 5 CDBDRO [NH3+]C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000261935765 796883174 /nfs/dbraw/zinc/88/31/74/796883174.db2.gz MABBTAGCWQHCNK-JTQLQIEISA-N 1 0 285.731 1.408 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@H](C)[NH3+] ZINC000859690178 796904770 /nfs/dbraw/zinc/90/47/70/796904770.db2.gz CUDWLVIMPHTEBJ-VIFPVBQESA-N 1 0 280.328 1.968 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CCN(CC[NH+]3CCCC3)CC2)n1 ZINC000785861748 796930548 /nfs/dbraw/zinc/93/05/48/796930548.db2.gz IJCYHMLWOPOENU-UHFFFAOYSA-N 1 0 293.371 1.524 20 5 CDBDRO CO[C@]1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000819235554 796963755 /nfs/dbraw/zinc/96/37/55/796963755.db2.gz RBCZWWMDEOPJHR-KBPBESRZSA-N 1 0 296.323 1.023 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)c(F)c1 ZINC000886227099 796994984 /nfs/dbraw/zinc/99/49/84/796994984.db2.gz WKUIBXGZIYVCLE-YPMHNXCESA-N 1 0 298.314 1.754 20 5 CDBDRO CCNC(=[NH2+])NCCNc1ccc([N+](=O)[O-])cc1 ZINC000848982788 797026511 /nfs/dbraw/zinc/02/65/11/797026511.db2.gz RPRCVCYQLMCEEX-UHFFFAOYSA-N 1 0 251.290 1.141 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000247007452 797239498 /nfs/dbraw/zinc/23/94/98/797239498.db2.gz LAFFVKWNMGTAKJ-DGCLKSJQSA-N 1 0 279.344 1.165 20 5 CDBDRO CC(C)[C@@H]([NH3+])c1noc(-c2cc([N+](=O)[O-])cn2C)n1 ZINC000843148349 797356432 /nfs/dbraw/zinc/35/64/32/797356432.db2.gz QHDAJYICSLXBEE-SECBINFHSA-N 1 0 265.273 1.639 20 5 CDBDRO Cc1c(C[NH2+]CC(=O)NC2CC2)cccc1[N+](=O)[O-] ZINC000036782521 797362123 /nfs/dbraw/zinc/36/21/23/797362123.db2.gz UIJQXDHTXMTJRQ-UHFFFAOYSA-N 1 0 263.297 1.271 20 5 CDBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822491317 797363763 /nfs/dbraw/zinc/36/37/63/797363763.db2.gz PBFOBHBZTWNYQF-LBPRGKRZSA-N 1 0 285.388 1.813 20 5 CDBDRO CCO[C@@H]1COC[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000832455689 797515881 /nfs/dbraw/zinc/51/58/81/797515881.db2.gz OTOUBTYBCYNSBA-HZSPNIEDSA-N 1 0 296.323 1.022 20 5 CDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000843354245 797729036 /nfs/dbraw/zinc/72/90/36/797729036.db2.gz WOWKEIWDSLLQKR-UHFFFAOYSA-N 1 0 296.283 1.279 20 5 CDBDRO C[C@H]([NH2+]CCc1cncn1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788756565 797829190 /nfs/dbraw/zinc/82/91/90/797829190.db2.gz XGPZVAUECHFIOD-JTQLQIEISA-N 1 0 289.339 1.804 20 5 CDBDRO CCNCc1noc(-c2ccc([N+](=O)[O-])s2)n1 ZINC000225427668 797833481 /nfs/dbraw/zinc/83/34/81/797833481.db2.gz CBAKLCPYNLXNDV-UHFFFAOYSA-N 1 0 254.271 1.816 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000158623895 797875502 /nfs/dbraw/zinc/87/55/02/797875502.db2.gz BFELAESUXCESDZ-SMDDNHRTSA-N 1 0 280.324 1.644 20 5 CDBDRO CC[NH2+]CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000843486632 797885656 /nfs/dbraw/zinc/88/56/56/797885656.db2.gz YEQCIPLKRNPLQQ-UHFFFAOYSA-N 1 0 263.257 1.019 20 5 CDBDRO Cc1cnc(N2C[C@H](C[NH3+])CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000227346069 1166896731 /nfs/dbraw/zinc/89/67/31/1166896731.db2.gz PPPAEOYQQFJYFR-MNOVXSKESA-N 1 0 264.329 1.862 20 5 CDBDRO Cc1cnc(NCC[C@H]2CCOC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001155471205 1167185171 /nfs/dbraw/zinc/18/51/71/1167185171.db2.gz PMARTDRWEIEBLC-NSHDSACASA-N 1 0 292.339 1.479 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2CC(=O)C2)c1F ZINC001173176495 912280636 /nfs/dbraw/zinc/28/06/36/912280636.db2.gz HKLFWNSHHYNFKA-QMMMGPOBSA-N 1 0 296.298 1.995 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001173220405 912302406 /nfs/dbraw/zinc/30/24/06/912302406.db2.gz ADSJXWGYIHOOQI-ZLKJLUDKSA-N 1 0 282.315 1.931 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1COCC[C@@H]1O ZINC001173214611 912336352 /nfs/dbraw/zinc/33/63/52/912336352.db2.gz CVCWOSJJDUZCOD-SWHYSGLUSA-N 1 0 280.324 1.265 20 5 CDBDRO CC(=O)NCC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173213661 912336376 /nfs/dbraw/zinc/33/63/76/912336376.db2.gz HECSHCJAHKSPAY-SNVBAGLBSA-N 1 0 265.313 1.252 20 5 CDBDRO CCOc1cnc(N[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001167270200 895008497 /nfs/dbraw/zinc/00/84/97/895008497.db2.gz NHNBMGASNBEMKX-VIFPVBQESA-N 1 0 266.301 1.505 20 5 CDBDRO CC(C)[C@](C)(Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)C(N)=O ZINC001167415338 895591559 /nfs/dbraw/zinc/59/15/59/895591559.db2.gz NNRAXNKYNQUOEH-AWEZNQCLSA-N 1 0 292.339 1.510 20 5 CDBDRO C[C@@H]1CC[C@H](C[NH3+])CN1c1cc([N+](=O)[O-])ccn1 ZINC000070183275 897701807 /nfs/dbraw/zinc/70/18/07/897701807.db2.gz QLZJFQLSJNIMKL-NXEZZACHSA-N 1 0 250.302 1.553 20 5 CDBDRO COCCN(C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000103458043 899157864 /nfs/dbraw/zinc/15/78/64/899157864.db2.gz LLKNFBBYPVEBFZ-UHFFFAOYSA-N 1 0 290.323 1.994 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000313029788 900326786 /nfs/dbraw/zinc/32/67/86/900326786.db2.gz DSWHEDIEZYZBEZ-LLVKDONJSA-N 1 0 286.303 1.814 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCCOCC2)cc1 ZINC000313433217 900397573 /nfs/dbraw/zinc/39/75/73/900397573.db2.gz ZKCCCEXLBMNOMQ-GXTWGEPZSA-N 1 0 280.324 1.787 20 5 CDBDRO Cc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1C ZINC001225244363 902509307 /nfs/dbraw/zinc/50/93/07/902509307.db2.gz FWEDWKUTCUZCMH-CYBMUJFWSA-N 1 0 266.361 1.666 20 5 CDBDRO Cc1cc(Cc2noc(CC[NH3+])n2)ccc1[N+](=O)[O-] ZINC000843191516 921251914 /nfs/dbraw/zinc/25/19/14/921251914.db2.gz HUKZHVNUBKEMFK-UHFFFAOYSA-N 1 0 262.269 1.378 20 5 CDBDRO COc1cccc(N(C)C(C)(C)C[NH3+])c1[N+](=O)[O-] ZINC000714239542 906803869 /nfs/dbraw/zinc/80/38/69/906803869.db2.gz ZHVNHQFGVNCYAS-UHFFFAOYSA-N 1 0 253.302 1.777 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N[C@H]2C[NH2+]CC[C@H]2F)n1 ZINC001168227600 907945679 /nfs/dbraw/zinc/94/56/79/907945679.db2.gz CDJGTEQAMHDHLG-SFYZADRCSA-N 1 0 270.264 1.110 20 5 CDBDRO [NH3+][C@H]1C[C@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000715153761 909843044 /nfs/dbraw/zinc/84/30/44/909843044.db2.gz ZUSMNICXWRLXBA-ZKCHVHJHSA-N 1 0 283.715 1.715 20 5 CDBDRO CN(Cc1cc(F)ccc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC000160132341 909880071 /nfs/dbraw/zinc/88/00/71/909880071.db2.gz SIXBTWXSGYGVMV-ZDUSSCGKSA-N 1 0 267.304 1.903 20 5 CDBDRO Cc1cnc(Nc2nccnc2C[NH3+])cc1[N+](=O)[O-] ZINC001171447711 910651074 /nfs/dbraw/zinc/65/10/74/910651074.db2.gz LNEOQYDAIYWMEI-UHFFFAOYSA-N 1 0 260.257 1.291 20 5 CDBDRO COC[C@H](C)OC[C@@H](C)OC[C@H](C)OCC[N+](C)(C)C ZINC001224771961 910662809 /nfs/dbraw/zinc/66/28/09/910662809.db2.gz VBGMYFMUGAMWEW-SOUVJXGZSA-N 1 0 292.440 1.554 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H](O)CF)CC2 ZINC001172905312 912038068 /nfs/dbraw/zinc/03/80/68/912038068.db2.gz IVGUWSZKYNDPSU-GXTWGEPZSA-N 1 0 282.315 1.762 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@H](O)CF)CC2 ZINC001172905315 912039803 /nfs/dbraw/zinc/03/98/03/912039803.db2.gz IVGUWSZKYNDPSU-TZMCWYRMSA-N 1 0 282.315 1.762 20 5 CDBDRO CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178449775 915418725 /nfs/dbraw/zinc/41/87/25/915418725.db2.gz GECQSXWLNBIURU-VXGBXAGGSA-N 1 0 271.361 1.328 20 5 CDBDRO [NH3+]CCCCCC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000830591251 936464463 /nfs/dbraw/zinc/46/44/63/936464463.db2.gz DRSVVAHUTDMABJ-UHFFFAOYSA-N 1 0 279.340 1.773 20 5 CDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000832008206 936552258 /nfs/dbraw/zinc/55/22/58/936552258.db2.gz XUKPSZWLRVXSKS-STQMWFEESA-N 1 0 297.399 1.907 20 5 CDBDRO CCC1(Nc2ccc([N+](=O)[O-])c(C)c2C(=O)OC)C[NH2+]C1 ZINC001168585973 919326289 /nfs/dbraw/zinc/32/62/89/919326289.db2.gz BOKOPNKJXGNLDL-UHFFFAOYSA-N 1 0 293.323 1.854 20 5 CDBDRO [NH3+]C1(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CCC1 ZINC000230067351 921985342 /nfs/dbraw/zinc/98/53/42/921985342.db2.gz XVOGZGBRWPDXSD-UHFFFAOYSA-N 1 0 267.260 1.345 20 5 CDBDRO Cc1c(F)cnc(-n2cnc(C[NH3+])c2)c1[N+](=O)[O-] ZINC001162296488 922181065 /nfs/dbraw/zinc/18/10/65/922181065.db2.gz GKSJNCINZOVQQV-UHFFFAOYSA-N 1 0 251.221 1.082 20 5 CDBDRO CC(C)([NH3+])CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700608442 922252498 /nfs/dbraw/zinc/25/24/98/922252498.db2.gz HJLGSWQHBUGOCL-UHFFFAOYSA-N 1 0 271.704 1.715 20 5 CDBDRO C[C@]1(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]C1 ZINC000702068569 922470177 /nfs/dbraw/zinc/47/01/77/922470177.db2.gz YBTBCHZZAHTOPL-LBPRGKRZSA-N 1 0 283.715 1.730 20 5 CDBDRO C[NH+](C)C1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000867068761 922805089 /nfs/dbraw/zinc/80/50/89/922805089.db2.gz BOSDYDHFCMVFFC-UHFFFAOYSA-N 1 0 281.287 1.049 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923521607 923898093 /nfs/dbraw/zinc/89/80/93/923898093.db2.gz REBOTZSEPURIFE-QWHCGFSZSA-N 1 0 261.325 1.636 20 5 CDBDRO CC[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839198633 936909108 /nfs/dbraw/zinc/90/91/08/936909108.db2.gz SKUYQUATOUVWNC-RDBSUJKOSA-N 1 0 280.324 1.785 20 5 CDBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839572764 936915819 /nfs/dbraw/zinc/91/58/19/936915819.db2.gz VNJZFUHEBHRHOZ-SYLRKERUSA-N 1 0 283.372 1.134 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000839728612 936921733 /nfs/dbraw/zinc/92/17/33/936921733.db2.gz QKTGCFCKDUVEQL-ASEORRQLSA-N 1 0 291.351 1.459 20 5 CDBDRO CO[C@@H]1C[C@@H](N(C)Cn2cc([N+](=O)[O-])c(C)n2)C12CCC2 ZINC000840138049 936940622 /nfs/dbraw/zinc/94/06/22/936940622.db2.gz CJNKJJOMCGPJPA-CHWSQXEVSA-N 1 0 294.355 1.947 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841233175 936986103 /nfs/dbraw/zinc/98/61/03/936986103.db2.gz NUOKXSVVNJDKPA-IIDWOEFGSA-N 1 0 296.714 1.588 20 5 CDBDRO Cc1cc(C(=O)NCC2([NH+](C)C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000841454773 937004096 /nfs/dbraw/zinc/00/40/96/937004096.db2.gz IBDPUIJLERZPKP-UHFFFAOYSA-N 1 0 292.339 1.309 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cc2c(cc1O)C=NCC2 ZINC001230921370 925581062 /nfs/dbraw/zinc/58/10/62/925581062.db2.gz LVHANLLMJJMCIK-NSHDSACASA-O 1 0 263.361 1.841 20 5 CDBDRO COCCOC[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001308283710 937044188 /nfs/dbraw/zinc/04/41/88/937044188.db2.gz BUHXBSAUJTVCQZ-NSHDSACASA-N 1 0 268.313 1.736 20 5 CDBDRO [NH3+]Cc1ccnn1-c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001155123896 926552831 /nfs/dbraw/zinc/55/28/31/926552831.db2.gz NDDVDYGBEGBAFF-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO CC[C@@H](CCO)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843077726 937110033 /nfs/dbraw/zinc/11/00/33/937110033.db2.gz GLYGQBLLSJWMDM-SMDDNHRTSA-N 1 0 282.340 1.626 20 5 CDBDRO Cc1nc([N+](=O)[O-])cn1Cc1nc([C@@H]([NH3+])C(C)C)no1 ZINC000843151437 937117712 /nfs/dbraw/zinc/11/77/12/937117712.db2.gz ZNAVCGKDXMZMIA-JTQLQIEISA-N 1 0 280.288 1.187 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1COCCO1 ZINC000850426569 927429165 /nfs/dbraw/zinc/42/91/65/927429165.db2.gz WNWXJMPLBVOAKI-CMPLNLGQSA-N 1 0 296.323 1.669 20 5 CDBDRO [NH3+][C@H]1CCN(c2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001156229273 927498791 /nfs/dbraw/zinc/49/87/91/927498791.db2.gz WVSPYVJLWGFUFY-JTQLQIEISA-N 1 0 258.281 1.680 20 5 CDBDRO CC1(C)OCC(Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)CO1 ZINC001168910370 927535405 /nfs/dbraw/zinc/53/54/05/927535405.db2.gz VAXQUHPCLKAUIE-UHFFFAOYSA-N 1 0 293.323 1.761 20 5 CDBDRO CC(=O)Nc1ccc(-n2cc(CC[NH3+])cn2)cc1[N+](=O)[O-] ZINC001168949266 927556650 /nfs/dbraw/zinc/55/66/50/927556650.db2.gz HSWHDXOTEKOQRG-UHFFFAOYSA-N 1 0 289.295 1.240 20 5 CDBDRO NC(=[NH2+])N(c1ccccc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977499 927562297 /nfs/dbraw/zinc/56/22/97/927562297.db2.gz KLJNEJGBORCAGS-JQWIXIFHSA-N 1 0 262.313 1.832 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](CO)c2cccc(F)c2)C1 ZINC001168978183 927566067 /nfs/dbraw/zinc/56/60/67/927566067.db2.gz PKXAIWPDCHPHQW-DDTOSNHZSA-N 1 0 282.315 1.894 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)nc1 ZINC001168981142 927568661 /nfs/dbraw/zinc/56/86/61/927568661.db2.gz GCPOVSKLEZRAAZ-QWRGUYRKSA-N 1 0 265.313 1.625 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccccc2)C1 ZINC001168983306 927571221 /nfs/dbraw/zinc/57/12/21/927571221.db2.gz JICDMSHAUOBZPA-PMPSAXMXSA-N 1 0 292.379 1.873 20 5 CDBDRO Cc1nc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cs1 ZINC001168958876 927580382 /nfs/dbraw/zinc/58/03/82/927580382.db2.gz QTUVEVUXFGJZEW-VHSXEESVSA-N 1 0 255.343 1.987 20 5 CDBDRO Cc1ncc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)s1 ZINC001168961905 927582907 /nfs/dbraw/zinc/58/29/07/927582907.db2.gz LDVPPRNXDUJSOC-VHSXEESVSA-N 1 0 255.343 1.987 20 5 CDBDRO O=C(CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)N1CCCC1 ZINC001168965824 927589766 /nfs/dbraw/zinc/58/97/66/927589766.db2.gz COMQPNJGMSRZJI-NWDGAFQWSA-N 1 0 269.345 1.034 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2(c3ccccc3)COC2)C1 ZINC001168968517 927591770 /nfs/dbraw/zinc/59/17/70/927591770.db2.gz ZSLMIEBPPNNXEA-UKRRQHHQSA-N 1 0 290.363 1.990 20 5 CDBDRO COc1ccc(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001168972518 927596061 /nfs/dbraw/zinc/59/60/61/927596061.db2.gz ABTFDRFUUNEZJA-OLZOCXBDSA-N 1 0 279.340 1.668 20 5 CDBDRO CSCC[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)(C)O ZINC001168972393 927597609 /nfs/dbraw/zinc/59/76/09/927597609.db2.gz MTYHPEFRZROBTF-IJLUTSLNSA-N 1 0 290.429 1.914 20 5 CDBDRO C[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCCC1=O ZINC001169006742 927610899 /nfs/dbraw/zinc/61/08/99/927610899.db2.gz JFWTZBWIPKLVRN-WOPDTQHZSA-N 1 0 254.330 1.733 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(C3CC3)CC2)C1 ZINC001169007378 927612472 /nfs/dbraw/zinc/61/24/72/927612472.db2.gz MZAZLKKFKLBIAL-DGCLKSJQSA-N 1 0 253.346 1.212 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@]3(CCOC3)C2)C1 ZINC001169011514 927616749 /nfs/dbraw/zinc/61/67/49/927616749.db2.gz KMRUYXSOIKUPIW-UPJWGTAASA-N 1 0 254.330 1.544 20 5 CDBDRO Cc1nc(CC[N@@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)no1 ZINC001169011262 927617362 /nfs/dbraw/zinc/61/73/62/927617362.db2.gz IZNGPZCDIKYGJJ-WDEREUQCSA-N 1 0 268.317 1.298 20 5 CDBDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC[C@H]1O ZINC001169010578 927617709 /nfs/dbraw/zinc/61/77/09/927617709.db2.gz DUTALOKRFXLJOE-FDYHWXHSSA-N 1 0 256.346 1.525 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CC[C@@H]3COC[C@@H]3C2)C1 ZINC001169014009 927620219 /nfs/dbraw/zinc/62/02/19/927620219.db2.gz XSMNURVRLUWRBK-RNJOBUHISA-N 1 0 254.330 1.400 20 5 CDBDRO CC(=O)NCCCCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168989291 927626408 /nfs/dbraw/zinc/62/64/08/927626408.db2.gz VPQMIKYTUOEBEI-QWHCGFSZSA-N 1 0 271.361 1.328 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H](N2CC[NH+]3CCC2CC3)C1 ZINC001169036585 927647091 /nfs/dbraw/zinc/64/70/91/927647091.db2.gz GVLIAGVTFFDZBI-WCQYABFASA-N 1 0 253.346 1.212 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCCC3(C2)OCCO3)C1 ZINC001169038918 927649792 /nfs/dbraw/zinc/64/97/92/927649792.db2.gz LJTQYMRQHAWDJZ-NEPJUHHUSA-N 1 0 270.329 1.271 20 5 CDBDRO O=C1OCCN1C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169039474 927650659 /nfs/dbraw/zinc/65/06/59/927650659.db2.gz PWHJXMNZOSOUHV-YPMHNXCESA-N 1 0 297.355 1.348 20 5 CDBDRO CC(C)C(=O)N[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169051962 927668566 /nfs/dbraw/zinc/66/85/66/927668566.db2.gz DRFBSQOGDMWBCP-MJBXVCDLSA-N 1 0 297.399 1.668 20 5 CDBDRO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC12CC2 ZINC001169057835 927675724 /nfs/dbraw/zinc/67/57/24/927675724.db2.gz XYCLAFQJPMHUCN-UTUOFQBUSA-N 1 0 282.340 1.317 20 5 CDBDRO CCN1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H]1C ZINC001169057489 927676045 /nfs/dbraw/zinc/67/60/45/927676045.db2.gz VZTRSEFLKMPLAR-FRRDWIJNSA-N 1 0 255.362 1.458 20 5 CDBDRO [NH3+]Cc1cccc2c1cnn2-c1cnc([N+](=O)[O-])cn1 ZINC001169191847 927803730 /nfs/dbraw/zinc/80/37/30/927803730.db2.gz GIOQOJBPWYAZJA-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776602175 927813363 /nfs/dbraw/zinc/81/33/63/927813363.db2.gz TZVIRABEUCJTRC-WQAKAFBOSA-N 1 0 266.297 1.083 20 5 CDBDRO [NH3+]Cc1cnnn1-c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001169309878 927947357 /nfs/dbraw/zinc/94/73/57/927947357.db2.gz NLWAMCYMNHJSSP-UHFFFAOYSA-N 1 0 287.201 1.653 20 5 CDBDRO Nc1ccc([N+](=O)[O-])c(NCCC[NH+]2CCC(O)CC2)c1 ZINC000853202387 927979225 /nfs/dbraw/zinc/97/92/25/927979225.db2.gz OEMZUHPZWPIHLE-UHFFFAOYSA-N 1 0 294.355 1.436 20 5 CDBDRO COc1ncc([N+](=O)[O-])c(NC(C)(C)CC[NH+](C)C)n1 ZINC001169711591 928367525 /nfs/dbraw/zinc/36/75/25/928367525.db2.gz MZGFAPAGHFYWNO-UHFFFAOYSA-N 1 0 283.332 1.536 20 5 CDBDRO C[N@@H+]1CCC[C@H](CCNc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001156390097 928479187 /nfs/dbraw/zinc/47/91/87/928479187.db2.gz VKBBBBHYEUOULB-SNVBAGLBSA-N 1 0 279.344 1.716 20 5 CDBDRO [NH3+]CCc1ccn(-c2ccc3[nH]cc([N+](=O)[O-])c3n2)n1 ZINC001156898703 929050876 /nfs/dbraw/zinc/05/08/76/929050876.db2.gz WIQWWBLFKODXIN-UHFFFAOYSA-N 1 0 272.268 1.158 20 5 CDBDRO Cc1c(F)cnc(N(C)C(C)(C)C[NH3+])c1[N+](=O)[O-] ZINC001170053226 929190565 /nfs/dbraw/zinc/19/05/65/929190565.db2.gz RTCSUOAOMAOPRL-UHFFFAOYSA-N 1 0 256.281 1.611 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1NC ZINC000048176483 937312259 /nfs/dbraw/zinc/31/22/59/937312259.db2.gz DXEDHDJTWGLMAI-UHFFFAOYSA-N 1 0 294.355 1.708 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)C[C@@H]21 ZINC001157263354 929401474 /nfs/dbraw/zinc/40/14/74/929401474.db2.gz AOGXRSFPPHCAPB-CABZTGNLSA-N 1 0 277.328 1.102 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH+](CCO)CCO)cc1Cl ZINC000862429684 929417061 /nfs/dbraw/zinc/41/70/61/929417061.db2.gz IVDHGNZYJCTQHE-UHFFFAOYSA-N 1 0 274.704 1.035 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000128577980 929739471 /nfs/dbraw/zinc/73/94/71/929739471.db2.gz ZGFGSXVDVPEYGW-ZANVPECISA-N 1 0 299.758 1.796 20 5 CDBDRO Cc1cc(Cl)c(N[C@H]2C[NH2+]C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001170789469 930036153 /nfs/dbraw/zinc/03/61/53/930036153.db2.gz OMDNQDZTSGIZBO-SCZZXKLOSA-N 1 0 285.731 1.549 20 5 CDBDRO C[C@H](CCO)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815582963 930056957 /nfs/dbraw/zinc/05/69/57/930056957.db2.gz TYQMEDRGSYOBPB-RKDXNWHRSA-N 1 0 253.302 1.599 20 5 CDBDRO COC[C@@H](O)CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815599298 930061852 /nfs/dbraw/zinc/06/18/52/930061852.db2.gz PWWYGXJAESHOCX-KOLCDFICSA-N 1 0 283.328 1.225 20 5 CDBDRO COc1cc(C[NH2+]C[C@H]2C[C@H](OC)C2)c([N+](=O)[O-])cc1O ZINC000883263455 930172452 /nfs/dbraw/zinc/17/24/52/930172452.db2.gz UMKRYWYXIMOFTM-HOMQSWHASA-N 1 0 296.323 1.824 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCOC2)cc1 ZINC000134755969 930576471 /nfs/dbraw/zinc/57/64/71/930576471.db2.gz UYYQMBBAMJWOOI-MFKMUULPSA-N 1 0 266.297 1.254 20 5 CDBDRO C[C@@H]([NH3+])CCNc1cc([N+](=O)[O-])cc(Br)n1 ZINC001170891310 930684918 /nfs/dbraw/zinc/68/49/18/930684918.db2.gz STELVHJWRUUMAH-ZCFIWIBFSA-N 1 0 289.133 1.902 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819008305 930746754 /nfs/dbraw/zinc/74/67/54/930746754.db2.gz WIRSYPYQWGCLSK-IUODEOHRSA-N 1 0 295.383 1.948 20 5 CDBDRO COCCOC[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819104138 930758719 /nfs/dbraw/zinc/75/87/19/930758719.db2.gz NOZXKXWKRIVBNW-RISCZKNCSA-N 1 0 298.339 1.269 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2cnccn2)c1 ZINC000819206855 930766813 /nfs/dbraw/zinc/76/68/13/930766813.db2.gz CKDAGXGKJIQLKU-AWEZNQCLSA-N 1 0 288.307 1.251 20 5 CDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000819202167 930769494 /nfs/dbraw/zinc/76/94/94/930769494.db2.gz FUKRONSFCPDEFE-OSMZGAPFSA-N 1 0 280.324 1.785 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1cccnc1[N+](=O)[O-] ZINC000886100625 930806890 /nfs/dbraw/zinc/80/68/90/930806890.db2.gz SWWCAARCEKWXJZ-GHMZBOCLSA-N 1 0 264.329 1.514 20 5 CDBDRO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886147003 930815681 /nfs/dbraw/zinc/81/56/81/930815681.db2.gz HLENJUXFHFEODW-RISCZKNCSA-N 1 0 279.340 1.973 20 5 CDBDRO C[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1CO ZINC000886162645 930816780 /nfs/dbraw/zinc/81/67/80/930816780.db2.gz VBZOBRQBJTWJME-ONGXEEELSA-N 1 0 251.286 1.193 20 5 CDBDRO CCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000110939469 930967845 /nfs/dbraw/zinc/96/78/45/930967845.db2.gz OBLUFQJXLKSTFU-NSHDSACASA-N 1 0 295.314 1.948 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000886837246 930970237 /nfs/dbraw/zinc/97/02/37/930970237.db2.gz CXJUDROWUQEFRH-ZYHUDNBSSA-N 1 0 262.313 1.174 20 5 CDBDRO C[C@@H]1C[C@H](C)N(Cc2cccnc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000886840313 930972766 /nfs/dbraw/zinc/97/27/66/930972766.db2.gz YYIMTHNRWSOBLW-MDZLAQPJSA-N 1 0 278.356 1.795 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886841514 930973322 /nfs/dbraw/zinc/97/33/22/930973322.db2.gz NJGVHCUKKUQJGC-ONGXEEELSA-N 1 0 250.302 1.301 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@@H](C)CCC[NH3+])c1[N+](=O)[O-] ZINC000843487113 931494239 /nfs/dbraw/zinc/49/42/39/931494239.db2.gz NSNYGLDBFTXFIW-VIFPVBQESA-N 1 0 283.303 1.900 20 5 CDBDRO O=c1c2ccccc2n(C[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001118199457 937601625 /nfs/dbraw/zinc/60/16/25/937601625.db2.gz LZOWUEHFTMMIIB-NSHDSACASA-N 1 0 287.319 1.909 20 5 CDBDRO CC(C)(C)[C@H]([NH3+])C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118203300 937601862 /nfs/dbraw/zinc/60/18/62/937601862.db2.gz GJHKRRGSHKRWOX-GFCCVEGCSA-N 1 0 277.324 1.810 20 5 CDBDRO COC1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000234716842 932577225 /nfs/dbraw/zinc/57/72/25/932577225.db2.gz OJAPFXBKXHTULO-CYBMUJFWSA-N 1 0 280.324 1.787 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NCCc1cccc([N+](=O)[O-])c1 ZINC000925627558 932917387 /nfs/dbraw/zinc/91/73/87/932917387.db2.gz BQYDZJSSYRWVJA-RISCZKNCSA-N 1 0 263.341 1.867 20 5 CDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000930230840 933337774 /nfs/dbraw/zinc/33/77/74/933337774.db2.gz XEACTBSCLSHHOM-NSHDSACASA-N 1 0 260.297 1.800 20 5 CDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC000930609591 933412520 /nfs/dbraw/zinc/41/25/20/933412520.db2.gz JBBQYIVHAYTRGN-LBPRGKRZSA-N 1 0 250.298 1.807 20 5 CDBDRO C[C@H](c1ccccc1)[NH+]1CCN(CC[N+](=O)[O-])CC1 ZINC000931687271 933607655 /nfs/dbraw/zinc/60/76/55/933607655.db2.gz VBISAPCTUZXWBW-CYBMUJFWSA-N 1 0 263.341 1.642 20 5 CDBDRO CC[C@@H](CO)[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000931767961 933622932 /nfs/dbraw/zinc/62/29/32/933622932.db2.gz XGZFTCSXNTWDRZ-JTQLQIEISA-N 1 0 284.312 1.343 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2(CO)CCCCC2)cc1 ZINC000158640815 934296911 /nfs/dbraw/zinc/29/69/11/934296911.db2.gz RCWLVICAOXNXNJ-CQSZACIVSA-N 1 0 294.351 1.913 20 5 CDBDRO Cc1nn(CN2CC[C@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000779861619 934754986 /nfs/dbraw/zinc/75/49/86/934754986.db2.gz XHRMDCGFAGLJOZ-ZDUSSCGKSA-N 1 0 293.371 1.617 20 5 CDBDRO CC[N@@H+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000796316662 935022641 /nfs/dbraw/zinc/02/26/41/935022641.db2.gz NUNIAIPEVZWOBU-SWLSCSKDSA-N 1 0 293.367 1.654 20 5 CDBDRO Cc1cc(F)cc(C(=O)NCC2([NH3+])CC2)c1[N+](=O)[O-] ZINC001122349487 937923741 /nfs/dbraw/zinc/92/37/41/937923741.db2.gz RYSQUJZBZJMMAP-UHFFFAOYSA-N 1 0 267.260 1.263 20 5 CDBDRO Cc1nc(Cl)nc(N(CCC[NH3+])C(C)C)c1[N+](=O)[O-] ZINC001156118705 938321547 /nfs/dbraw/zinc/32/15/47/938321547.db2.gz UAZPDJKZEIFVCY-UHFFFAOYSA-N 1 0 287.751 1.910 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(-n2ccnc2CC[NH3+])nc1Cl ZINC001156477687 938372139 /nfs/dbraw/zinc/37/21/39/938372139.db2.gz GEKVGAWFKCGGSH-UHFFFAOYSA-N 1 0 281.703 1.639 20 5 CDBDRO COC(=O)C1(Nc2ccc([N+](=O)[O-])c(C)n2)CC[NH2+]CC1 ZINC001156528492 938379886 /nfs/dbraw/zinc/37/98/86/938379886.db2.gz BERTZXNSNREPSZ-UHFFFAOYSA-N 1 0 294.311 1.005 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001156850545 938425810 /nfs/dbraw/zinc/42/58/10/938425810.db2.gz LFPHZBJYEPIMTO-UHFFFAOYSA-N 1 0 284.279 1.200 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2ccc(N3C[C@@H]4C[NH2+][C@@H]4C3)nn2)cc1 ZINC001157624424 938522574 /nfs/dbraw/zinc/52/25/74/938522574.db2.gz ZQZWKWJEZJWYGQ-SMDDNHRTSA-N 1 0 297.318 1.460 20 5 CDBDRO O=[N+]([O-])c1cccc(N2CCO[C@@H](C[NH+]3CCCC3)C2)n1 ZINC001158305565 938606131 /nfs/dbraw/zinc/60/61/31/938606131.db2.gz REBFKGHMLVEYSV-LBPRGKRZSA-N 1 0 292.339 1.291 20 5 CDBDRO C[C@H]([NH3+])c1ccn(-c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])n1 ZINC001158350725 938613071 /nfs/dbraw/zinc/61/30/71/938613071.db2.gz NUSYNOWEGCMYOZ-LURJTMIESA-N 1 0 283.675 1.087 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(NCC23CC[NH+](CC2)CC3)n1 ZINC001158826996 938667343 /nfs/dbraw/zinc/66/73/43/938667343.db2.gz LZOYOLFIALQNDZ-UHFFFAOYSA-N 1 0 277.328 1.591 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(NC[C@H]2COCC[NH2+]2)n1 ZINC001159043972 938696108 /nfs/dbraw/zinc/69/61/08/938696108.db2.gz ZPBVXNIAUJUMEQ-QMMMGPOBSA-N 1 0 286.719 1.352 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1N[C@@H]1CC[NH2+][C@@H]1C ZINC001162673005 939111392 /nfs/dbraw/zinc/11/13/92/939111392.db2.gz HBHXEZRDEUEKDU-VXNVDRBHSA-N 1 0 252.274 1.161 20 5 CDBDRO [NH3+]C[C@H](CO)c1ccc(Nc2cccc([N+](=O)[O-])n2)cc1 ZINC001163053968 939186739 /nfs/dbraw/zinc/18/67/39/939186739.db2.gz WMZQEIWQMAXAMX-LLVKDONJSA-N 1 0 288.307 1.768 20 5 CDBDRO O=[N+]([O-])c1cccnc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163167296 939218469 /nfs/dbraw/zinc/21/84/69/939218469.db2.gz OHTIQMWSGCTFGL-CKYFFXLPSA-N 1 0 278.312 1.026 20 5 CDBDRO C[NH2+]C1CN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC001163705337 939311574 /nfs/dbraw/zinc/31/15/74/939311574.db2.gz LIOICTJBFBPODG-UHFFFAOYSA-N 1 0 258.281 1.551 20 5 CDBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(OC)n2)CC1 ZINC001163771373 939325917 /nfs/dbraw/zinc/32/59/17/939325917.db2.gz QYZJLCQZEVTNIP-UHFFFAOYSA-N 1 0 280.328 1.530 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1N[C@@H](C)C[NH+](C)C ZINC001163777250 939328563 /nfs/dbraw/zinc/32/85/63/939328563.db2.gz VCNKBWZXJPHAOO-QMMMGPOBSA-N 1 0 254.290 1.360 20 5 CDBDRO [NH3+]CCN(CCO)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001163831486 939338926 /nfs/dbraw/zinc/33/89/26/939338926.db2.gz BWIBTDFWVUMEHG-UHFFFAOYSA-N 1 0 293.245 1.371 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1N(CC[NH3+])CCO ZINC001163832500 939339652 /nfs/dbraw/zinc/33/96/52/939339652.db2.gz QTJYPRSJODPIHS-UHFFFAOYSA-N 1 0 267.329 1.277 20 5 CDBDRO C[C@@H]1CC[C@H](C[NH3+])N(c2ncc([N+](=O)[O-])cc2N)C1 ZINC001164074469 939406524 /nfs/dbraw/zinc/40/65/24/939406524.db2.gz TWTQKJXFYFKPKA-RKDXNWHRSA-N 1 0 265.317 1.136 20 5 CDBDRO C[C@H]1CC[C@H](C[NH3+])CN1c1cc(N)c([N+](=O)[O-])cn1 ZINC001164468242 939476596 /nfs/dbraw/zinc/47/65/96/939476596.db2.gz PTLPPUQHHTWXQH-DTWKUNHWSA-N 1 0 265.317 1.136 20 5 CDBDRO CCOc1nc(N2C[C@H]3C[NH+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001165147933 939518713 /nfs/dbraw/zinc/51/87/13/939518713.db2.gz GVKBWHNKTYOOEK-GHMZBOCLSA-N 1 0 292.339 1.386 20 5 CDBDRO C[NH+]1C[C@@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)C[C@H]2C1 ZINC001165151397 939519625 /nfs/dbraw/zinc/51/96/25/939519625.db2.gz UPYTYVYXUILDEZ-GHMZBOCLSA-N 1 0 299.334 1.536 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1N1CCC2(CCCC[NH2+]2)CC1 ZINC001165248245 939533097 /nfs/dbraw/zinc/53/30/97/939533097.db2.gz HHBTVHGFRHHJRV-UHFFFAOYSA-N 1 0 291.355 1.685 20 5 CDBDRO [NH3+][C@@H]1CCN(c2nc(Cl)ncc2[N+](=O)[O-])CC1(F)F ZINC001166959847 939660699 /nfs/dbraw/zinc/66/06/99/939660699.db2.gz KVHSWWPBGOXUSX-ZCFIWIBFSA-N 1 0 293.661 1.211 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@](C)([NH3+])C2)c1 ZINC000405825374 940998414 /nfs/dbraw/zinc/99/84/14/940998414.db2.gz LSDASTUZTIOVAU-CYBMUJFWSA-N 1 0 263.297 1.467 20 5 CDBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1O[C@@H]1CCC[NH2+]C1 ZINC001218285334 941051972 /nfs/dbraw/zinc/05/19/72/941051972.db2.gz KDFQBEUUCHUSNU-MRVPVSSYSA-N 1 0 267.241 1.634 20 5 CDBDRO C[C@@H](OC(=O)C[C@@H](O)C[N+](C)(C)C)c1nccs1 ZINC001224004248 941714334 /nfs/dbraw/zinc/71/43/34/941714334.db2.gz RNGSHTIWKPGULX-NXEZZACHSA-N 1 0 273.378 1.205 20 5 CDBDRO CCOC(=O)[C@@H]1CCC[C@@H](OCC[N+](C)(C)C)C1 ZINC001224776548 941790007 /nfs/dbraw/zinc/79/00/07/941790007.db2.gz XSHIVTNXDWMMDO-CHWSQXEVSA-N 1 0 258.382 1.831 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cccnc1CN(C)C ZINC001225279381 941837894 /nfs/dbraw/zinc/83/78/94/941837894.db2.gz WUHLOLHGFVPYRJ-LBPRGKRZSA-N 1 0 252.382 1.617 20 5 CDBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1[nH]ccc(=O)c1[N+](=O)[O-] ZINC001225664679 941896436 /nfs/dbraw/zinc/89/64/36/941896436.db2.gz RFJMHXGPAWCTCS-IWIIMEHWSA-N 1 0 293.323 1.805 20 5 CDBDRO COC(=O)c1c[nH]c(=O)cc1O[C@H](C)C[N+](C)(C)C ZINC001226210163 941967485 /nfs/dbraw/zinc/96/74/85/941967485.db2.gz AEXQUDFPBBGLJA-SECBINFHSA-O 1 0 269.321 1.047 20 5 CDBDRO COCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])nc2)CC1 ZINC001226711514 942054635 /nfs/dbraw/zinc/05/46/35/942054635.db2.gz FAFGUCURYATSCF-UHFFFAOYSA-N 1 0 295.339 1.870 20 5 CDBDRO Cc1ccc(O[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])n1 ZINC001227222970 942152265 /nfs/dbraw/zinc/15/22/65/942152265.db2.gz YOZZDTFAIGWQDL-SNVBAGLBSA-N 1 0 251.286 1.771 20 5 CDBDRO Cc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc([N+](=O)[O-])c1 ZINC001228833845 942382320 /nfs/dbraw/zinc/38/23/20/942382320.db2.gz SEVIPWHGRYGLKY-GFCCVEGCSA-N 1 0 297.331 1.266 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc([C@@H]2NC(=O)NC2=O)cc1 ZINC001229789026 942531527 /nfs/dbraw/zinc/53/15/27/942531527.db2.gz YGGQNXSGNBAQMY-MFKMUULPSA-O 1 0 292.359 1.041 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2c(c1)CCCO2 ZINC001233588792 943622751 /nfs/dbraw/zinc/62/27/51/943622751.db2.gz QPDZFTQWMUEIIY-CYBMUJFWSA-N 1 0 294.371 1.374 20 5 CDBDRO CSc1ncc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1C ZINC001234283525 943793585 /nfs/dbraw/zinc/79/35/85/943793585.db2.gz SAWBEIWRALWEJQ-LLVKDONJSA-N 1 0 299.416 1.475 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCO1 ZINC001254536786 947515926 /nfs/dbraw/zinc/51/59/26/947515926.db2.gz SYPQFGMBVGLTPS-PWSUYJOCSA-N 1 0 250.298 1.904 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N(C)OCC[NH3+] ZINC001254540193 947518462 /nfs/dbraw/zinc/51/84/62/947518462.db2.gz PZVUTNDMLABWBJ-JTQLQIEISA-N 1 0 253.302 1.348 20 5 CDBDRO C[C@H]1OCC[C@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254566138 947528548 /nfs/dbraw/zinc/52/85/48/947528548.db2.gz ICUHCZGFCBZBCI-GAJTVXKRSA-N 1 0 262.309 1.829 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCCO1)C2 ZINC001254570675 947530652 /nfs/dbraw/zinc/53/06/52/947530652.db2.gz PMXCBISOGLGMCO-TZMCWYRMSA-N 1 0 262.309 1.831 20 5 CDBDRO Cc1cc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)nn1C ZINC001254580445 947537184 /nfs/dbraw/zinc/53/71/84/947537184.db2.gz CQRUSDCMTBSNAT-CYBMUJFWSA-N 1 0 286.335 1.894 20 5 CDBDRO O=C(C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCCC1 ZINC001254580281 947537995 /nfs/dbraw/zinc/53/79/95/947537995.db2.gz BXBZJDFVYMGRCF-ZDUSSCGKSA-N 1 0 289.335 1.274 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCOC[C@@H]1F)C2 ZINC001254579561 947538346 /nfs/dbraw/zinc/53/83/46/947538346.db2.gz STPBXVJSEFVAPU-XBFCOCLRSA-N 1 0 280.299 1.779 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H](CO)c1cccnc1)C2 ZINC001254589664 947542368 /nfs/dbraw/zinc/54/23/68/947542368.db2.gz QRMVDGZIXBWIJO-GOEBONIOSA-N 1 0 299.330 1.780 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@@H](F)[C@@H](O)CC1)C2 ZINC001254595471 947546534 /nfs/dbraw/zinc/54/65/34/947546534.db2.gz XONCJCBSCRLYHD-KFWWJZLASA-N 1 0 294.326 1.857 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@H](O)CC1)C2 ZINC001254600844 947549692 /nfs/dbraw/zinc/54/96/92/947549692.db2.gz VVPHNJCQSJAYKT-CABCVRRESA-N 1 0 276.336 1.909 20 5 CDBDRO CN(CCC[NH+](C)C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601085 947550179 /nfs/dbraw/zinc/55/01/79/947550179.db2.gz YYMKKFKMNYKCJY-HNNXBMFYSA-N 1 0 277.368 1.946 20 5 CDBDRO COc1ccc(C[C@@H](C)N(C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC001246981289 948559287 /nfs/dbraw/zinc/55/92/87/948559287.db2.gz PIOOCEDDOLDMPP-WDEREUQCSA-N 1 0 281.356 1.813 20 5 CDBDRO C[C@H]([NH3+])Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001248177118 948960647 /nfs/dbraw/zinc/96/06/47/948960647.db2.gz IKRDOKCLTBGFFL-YFKPBYRVSA-N 1 0 267.220 1.069 20 5 CDBDRO C[C@]1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CCC[NH2+]1 ZINC001249215774 949458678 /nfs/dbraw/zinc/45/86/78/949458678.db2.gz QPCRIAHMSQOHCV-GFCCVEGCSA-N 1 0 293.258 1.778 20 5 CDBDRO CC(C)C[NH2+]CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001326538064 954425346 /nfs/dbraw/zinc/42/53/46/954425346.db2.gz BNHTZTASDYSWDM-UHFFFAOYSA-N 1 0 279.340 1.499 20 5 CDBDRO CO[C@@H](C)CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC001308747858 956572342 /nfs/dbraw/zinc/57/23/42/956572342.db2.gz VORSHSGAJRJIFW-JTQLQIEISA-N 1 0 253.302 1.395 20 5 CDBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001318401620 958087886 /nfs/dbraw/zinc/08/78/86/958087886.db2.gz CXNISOKWIPWSFX-GXSJLCMTSA-N 1 0 280.328 1.526 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001333632503 958468188 /nfs/dbraw/zinc/46/81/88/958468188.db2.gz YVGLOGJJDPYPMR-JTQLQIEISA-N 1 0 279.340 1.939 20 5 CDBDRO CCN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC001333749298 958566443 /nfs/dbraw/zinc/56/64/43/958566443.db2.gz HLCYDIQKWOMRSN-CQSZACIVSA-N 1 0 291.351 1.738 20 5 CDBDRO COC(=O)COc1ccc([C@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC001334077757 958818434 /nfs/dbraw/zinc/81/84/34/958818434.db2.gz WZQSRMCYFQXIRN-JTQLQIEISA-N 1 0 282.296 1.166 20 5 CDBDRO Nc1ccc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC001334670787 959274042 /nfs/dbraw/zinc/27/40/42/959274042.db2.gz XYTFUGRLMXGYFT-IINYFYTJSA-N 1 0 290.323 1.130 20 5 CDBDRO CO[C@@H](C)[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001336020671 960160839 /nfs/dbraw/zinc/16/08/39/960160839.db2.gz VITXOMJWAKSYOQ-GVXVVHGQSA-N 1 0 298.339 1.348 20 5 CDBDRO CC(C)C[C@H](CNc1cc(N)c([N+](=O)[O-])cn1)[NH+](C)C ZINC001336465417 960358262 /nfs/dbraw/zinc/35/82/62/960358262.db2.gz KKNUJGXFLHJNFT-SNVBAGLBSA-N 1 0 281.360 1.960 20 5 CDBDRO C[NH+](C)C1CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001337775530 961417552 /nfs/dbraw/zinc/41/75/52/961417552.db2.gz ZHIWUDVRSGAPHP-UHFFFAOYSA-N 1 0 265.317 1.102 20 5 CDBDRO COc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1[N+](=O)[O-] ZINC001340182055 962800975 /nfs/dbraw/zinc/80/09/75/962800975.db2.gz ZVIPHBGOSNZMMC-JMJZKYOTSA-N 1 0 291.307 1.682 20 5 CDBDRO Cc1cc(NC(=O)[C@@H](C)[C@@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC001342136089 963649743 /nfs/dbraw/zinc/64/97/43/963649743.db2.gz SXXMMOSYGQKEEK-DTWKUNHWSA-N 1 0 251.286 1.825 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001342519936 963757499 /nfs/dbraw/zinc/75/74/99/963757499.db2.gz WOPWBZYXZAJAPZ-AEJSXWLSSA-N 1 0 265.313 1.755 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001343778432 964138156 /nfs/dbraw/zinc/13/81/56/964138156.db2.gz ZKEHRDUWDCQQJZ-SECBINFHSA-N 1 0 251.286 1.697 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001346025875 964889549 /nfs/dbraw/zinc/88/95/49/964889549.db2.gz CHRFFWRPFXVDGK-RYUDHWBXSA-N 1 0 276.340 1.759 20 5 CDBDRO Cc1cccc(N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC001354267244 968586868 /nfs/dbraw/zinc/58/68/68/968586868.db2.gz XZPVGTNAKCRKOO-TZMCWYRMSA-N 1 0 292.383 1.949 20 5 CDBDRO COc1ccc(NC(=O)N2CC([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001526687442 968591620 /nfs/dbraw/zinc/59/16/20/968591620.db2.gz CZKZANQTOSGLHG-UHFFFAOYSA-N 1 0 294.311 1.381 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC001355283308 969110024 /nfs/dbraw/zinc/11/00/24/969110024.db2.gz INVFYQFIAFMBBP-ZDUSSCGKSA-N 1 0 279.344 1.250 20 5 CDBDRO Cc1cc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc([N+](=O)[O-])c1 ZINC001356538853 969420872 /nfs/dbraw/zinc/42/08/72/969420872.db2.gz XUQRZEKUAMBCFW-GDNZZTSVSA-N 1 0 261.281 1.307 20 5 CDBDRO CC(C)[N@H+](C)CCNc1cc(N)c([N+](=O)[O-])cn1 ZINC001515428106 969894004 /nfs/dbraw/zinc/89/40/04/969894004.db2.gz UALQYIWLMGJONC-UHFFFAOYSA-N 1 0 253.306 1.324 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001515669743 969911704 /nfs/dbraw/zinc/91/17/04/969911704.db2.gz LNVIZVHWXJJMKR-LLVKDONJSA-N 1 0 292.339 1.418 20 5 CDBDRO CC[N@H+](C[C@H](C)OC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000812909290 1163757723 /nfs/dbraw/zinc/75/77/23/1163757723.db2.gz VZYDRVPTBYYYOF-SMDDNHRTSA-N 1 0 282.340 1.985 20 5 CDBDRO CCC[NH+]1C[C@@H]2CN(c3nc(C)ncc3[N+](=O)[O-])C[C@H]2C1 ZINC001157692597 1162290673 /nfs/dbraw/zinc/29/06/73/1162290673.db2.gz XDBRJCJLHRDTBI-VXGBXAGGSA-N 1 0 291.355 1.471 20 5 CDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH+](CCO)CCO ZINC000600179303 341983609 /nfs/dbraw/zinc/98/36/09/341983609.db2.gz MSPUHLCLRKHYLO-LBPRGKRZSA-N 1 0 282.340 1.203 20 5 CDBDRO C[C@H]([NH2+][C@@H]1COCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000601303263 342550965 /nfs/dbraw/zinc/55/09/65/342550965.db2.gz BOHAJGXTKWEHNM-ZWKOPEQDSA-N 1 0 266.297 1.395 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000178743888 295664779 /nfs/dbraw/zinc/66/47/79/295664779.db2.gz CGXWMGYHMIFEIX-QMMMGPOBSA-N 1 0 283.715 1.730 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)CC[NH+](C)C ZINC000289810637 361783441 /nfs/dbraw/zinc/78/34/41/361783441.db2.gz NODZRXPTXXIULL-UHFFFAOYSA-N 1 0 281.356 1.987 20 5 CDBDRO CC1CC[NH+](C[C@@H](O)CNc2ncccc2[N+](=O)[O-])CC1 ZINC000067373169 342048883 /nfs/dbraw/zinc/04/88/83/342048883.db2.gz MTEKGXRWQFSBKL-LBPRGKRZSA-N 1 0 294.355 1.495 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2C=C[C@H](CO)C2)cc1 ZINC000590595264 342579308 /nfs/dbraw/zinc/57/93/08/342579308.db2.gz ZIZSFRDGTKLPFO-QWHCGFSZSA-N 1 0 262.309 1.664 20 5 CDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])nc1 ZINC000590693295 342583311 /nfs/dbraw/zinc/58/33/11/342583311.db2.gz QUSKTRYFHJSZSA-JQWIXIFHSA-N 1 0 264.329 1.766 20 5 CDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000330567010 365618277 /nfs/dbraw/zinc/61/82/77/365618277.db2.gz BAPGQVPUUVQNPN-STQMWFEESA-N 1 0 293.367 1.998 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCSC[C@@H]2C2CC2)c1 ZINC000590758662 342588406 /nfs/dbraw/zinc/58/84/06/342588406.db2.gz CXEWSJPZCHWWLG-GFCCVEGCSA-N 1 0 282.369 1.619 20 5 CDBDRO C[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000611564942 346818818 /nfs/dbraw/zinc/81/88/18/346818818.db2.gz RNBUETFOPOIKAJ-UHFFFAOYSA-N 1 0 273.296 1.290 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC(C[NH+](C)C)CC1 ZINC000048563777 342093205 /nfs/dbraw/zinc/09/32/05/342093205.db2.gz OHWYAESMZYNEDR-UHFFFAOYSA-N 1 0 267.333 1.106 20 5 CDBDRO NC(=O)CN(Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000048575137 342094580 /nfs/dbraw/zinc/09/45/80/342094580.db2.gz FEPORRKHVQMGEG-UHFFFAOYSA-N 1 0 277.324 1.825 20 5 CDBDRO O=[N+]([O-])c1ccc2ccnc(N3C[C@H]4C[NH2+]C[C@H]4C3)c2c1 ZINC000591139923 342618245 /nfs/dbraw/zinc/61/82/45/342618245.db2.gz LMWYHQNBRKJANQ-TXEJJXNPSA-N 1 0 284.319 1.799 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1N1CC[C@H]3CC[NH2+][C@H]3C1)CCN2 ZINC000591436916 342631737 /nfs/dbraw/zinc/63/17/37/342631737.db2.gz COSGHAIFIFLIIP-MFKMUULPSA-N 1 0 288.351 1.751 20 5 CDBDRO Cc1ccc(NC(=O)NCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000591270331 342623670 /nfs/dbraw/zinc/62/36/70/342623670.db2.gz OBCMPQCGVRJNFL-UHFFFAOYSA-N 1 0 278.312 1.777 20 5 CDBDRO CCOc1ccc([C@@H](C)NC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000591581423 342638028 /nfs/dbraw/zinc/63/80/28/342638028.db2.gz VUESKBANDWHXFW-VHSXEESVSA-N 1 0 267.329 1.991 20 5 CDBDRO Cc1c(CC(=O)NC[C@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000591677635 342641507 /nfs/dbraw/zinc/64/15/07/342641507.db2.gz QQIGQTVGTTYUGD-CYBMUJFWSA-N 1 0 291.351 1.704 20 5 CDBDRO Cc1c(CC(=O)NCC[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000591679234 342641781 /nfs/dbraw/zinc/64/17/81/342641781.db2.gz QTJYIABZQWFMTL-UHFFFAOYSA-N 1 0 277.324 1.314 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCC1CC1 ZINC000591744863 342645183 /nfs/dbraw/zinc/64/51/83/342645183.db2.gz UPGLWJLUUPZFGJ-LBPRGKRZSA-N 1 0 280.324 1.724 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCSCC2)c1 ZINC000047987620 342150959 /nfs/dbraw/zinc/15/09/59/342150959.db2.gz ZZXHPSNOVSHHAM-GFCCVEGCSA-N 1 0 298.364 1.383 20 5 CDBDRO CNc1ccc(C(=O)N[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592330536 342685277 /nfs/dbraw/zinc/68/52/77/342685277.db2.gz RAYPUSRYHCRYGC-LLVKDONJSA-N 1 0 292.339 1.508 20 5 CDBDRO CCCc1[nH]nc(-c2nc([C@H]3CCC[NH2+]3)no2)c1[N+](=O)[O-] ZINC000592356718 342688095 /nfs/dbraw/zinc/68/80/95/342688095.db2.gz GNHPBTHWFFBYJM-MRVPVSSYSA-N 1 0 292.299 1.745 20 5 CDBDRO C[C@H](C[NH3+])N(C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592427748 342694792 /nfs/dbraw/zinc/69/47/92/342694792.db2.gz YOCFXQIGJBUYLI-SECBINFHSA-N 1 0 281.312 1.145 20 5 CDBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000289864369 361867503 /nfs/dbraw/zinc/86/75/03/361867503.db2.gz GRZZHXGSBVRTFY-PWSUYJOCSA-N 1 0 289.335 1.872 20 5 CDBDRO [NH3+]C[C@]12CCC[C@H]1CN(c1ncc([N+](=O)[O-])cc1F)C2 ZINC000593235452 342779898 /nfs/dbraw/zinc/77/98/98/342779898.db2.gz RHJNGCGBVRJRBF-ZANVPECISA-N 1 0 280.303 1.694 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000161156151 361900854 /nfs/dbraw/zinc/90/08/54/361900854.db2.gz YTQZNXNSMXKRIE-GFCCVEGCSA-N 1 0 293.323 1.184 20 5 CDBDRO Cc1nn(C)c(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000322404761 342185357 /nfs/dbraw/zinc/18/53/57/342185357.db2.gz WOBUHBUJGVVHNW-FGWVZKOKSA-N 1 0 279.344 1.674 20 5 CDBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCC1(F)F ZINC000289957670 361918022 /nfs/dbraw/zinc/91/80/22/361918022.db2.gz WKVGRRQMEVBOBL-SECBINFHSA-N 1 0 274.271 1.768 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@@H](O)C[N@H+](C)C1CC1 ZINC000290032665 361976197 /nfs/dbraw/zinc/97/61/97/361976197.db2.gz QGKGJUCIRAKKDY-CQSZACIVSA-N 1 0 293.367 1.482 20 5 CDBDRO CC[NH2+]CCCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000209213393 342226239 /nfs/dbraw/zinc/22/62/39/342226239.db2.gz DSOWDONRNASOPM-FPLPWBNLSA-N 1 0 277.324 1.724 20 5 CDBDRO O=C1NCCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594516803 342917034 /nfs/dbraw/zinc/91/70/34/342917034.db2.gz FKKAEOKRRBVCDF-MFKMUULPSA-N 1 0 289.335 1.698 20 5 CDBDRO COc1ccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000209380662 342271506 /nfs/dbraw/zinc/27/15/06/342271506.db2.gz KDELGJJZEHNVOS-PWSUYJOCSA-N 1 0 291.307 1.037 20 5 CDBDRO Cc1cc(N[C@@H](C)CN2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000074748741 342303889 /nfs/dbraw/zinc/30/38/89/342303889.db2.gz QELYCJNYXWGCFD-LBPRGKRZSA-N 1 0 293.371 1.346 20 5 CDBDRO COCC[C@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041147 342998346 /nfs/dbraw/zinc/99/83/46/342998346.db2.gz YSLFNAHKPJWEQZ-GHMZBOCLSA-N 1 0 298.339 1.651 20 5 CDBDRO Cc1noc(CN2CCC[C@@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000595372449 343042005 /nfs/dbraw/zinc/04/20/05/343042005.db2.gz JMBSGNCYHDUGJK-LLVKDONJSA-N 1 0 282.344 1.854 20 5 CDBDRO CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000404728485 349776826 /nfs/dbraw/zinc/77/68/26/349776826.db2.gz AHEWYOAHRNOSBS-OLZOCXBDSA-N 1 0 263.341 1.853 20 5 CDBDRO COC(=O)Cc1ccc(N[C@H]2C[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001578820336 1172020533 /nfs/dbraw/zinc/02/05/33/1172020533.db2.gz CPYAAHRBRDRGQH-MGCOHNPYSA-N 1 0 279.296 1.212 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1CC[NH3+] ZINC000404276922 349769384 /nfs/dbraw/zinc/76/93/84/349769384.db2.gz NRYHIWSDAPGXRN-NXEZZACHSA-N 1 0 281.312 1.777 20 5 CDBDRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075719312 342312546 /nfs/dbraw/zinc/31/25/46/342312546.db2.gz LGINNPRIFUQOIZ-NQBHXWOUSA-N 1 0 282.344 1.415 20 5 CDBDRO Cc1noc(C[NH2+][C@H](C)[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000595433406 343059308 /nfs/dbraw/zinc/05/93/08/343059308.db2.gz WKKMIQGJLCJUNW-PSASIEDQSA-N 1 0 269.301 1.796 20 5 CDBDRO CC[N@@H+]1CCCN(CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000595536713 343092110 /nfs/dbraw/zinc/09/21/10/343092110.db2.gz TYYFTBJMPNWPAA-GFCCVEGCSA-N 1 0 281.360 1.207 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000600966647 342354836 /nfs/dbraw/zinc/35/48/36/342354836.db2.gz RVAJDCMSIBNLNQ-PHIMTYICSA-N 1 0 276.296 1.563 20 5 CDBDRO Cc1cccc(C(=O)NCC2([NH3+])CCCC2)c1[N+](=O)[O-] ZINC000595940585 343203622 /nfs/dbraw/zinc/20/36/22/343203622.db2.gz HKGAADHJVKSVBH-UHFFFAOYSA-N 1 0 277.324 1.905 20 5 CDBDRO Cc1cc(C(=O)N(C)CC(C)(C)[NH3+])ccc1[N+](=O)[O-] ZINC000595945095 343205203 /nfs/dbraw/zinc/20/52/03/343205203.db2.gz NQXKVJDPXDTRBR-UHFFFAOYSA-N 1 0 265.313 1.713 20 5 CDBDRO O=c1[nH]ccc(NCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000596075373 343226240 /nfs/dbraw/zinc/22/62/40/343226240.db2.gz IBUBIGAPKURABO-UHFFFAOYSA-N 1 0 266.301 1.593 20 5 CDBDRO C[C@H](CC[NH+](C)C)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596099745 343235887 /nfs/dbraw/zinc/23/58/87/343235887.db2.gz WIPLDSQFEWTGSS-MRVPVSSYSA-N 1 0 254.290 1.448 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596126808 343237258 /nfs/dbraw/zinc/23/72/58/343237258.db2.gz PYHBENMJHFRJFM-VIFPVBQESA-N 1 0 266.301 1.083 20 5 CDBDRO Cc1ccc(NC(=O)N[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000596122132 343248366 /nfs/dbraw/zinc/24/83/66/343248366.db2.gz RTEDDSMDBFOIAR-ZDUSSCGKSA-N 1 0 278.312 1.777 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ncc([N+](=O)[O-])s1 ZINC000596243856 343285404 /nfs/dbraw/zinc/28/54/04/343285404.db2.gz LNTMVLIPIRHVMK-SFYZADRCSA-N 1 0 256.331 1.580 20 5 CDBDRO C[N@@H+]1CCC[C@@]2(CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])C2)C1 ZINC000596245334 343285988 /nfs/dbraw/zinc/28/59/88/343285988.db2.gz XBAGGRZQMCKAIC-CQSZACIVSA-N 1 0 292.339 1.618 20 5 CDBDRO C[C@H](O)CC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083213327 342376712 /nfs/dbraw/zinc/37/67/12/342376712.db2.gz UFNWQQWGRHEFFP-VIFPVBQESA-N 1 0 279.296 1.939 20 5 CDBDRO CCC(C)(C)[NH+]1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596299192 343291640 /nfs/dbraw/zinc/29/16/40/343291640.db2.gz PBRWKSBGUMFHJW-UHFFFAOYSA-N 1 0 293.371 1.883 20 5 CDBDRO C[C@H]1CC[NH2+][C@H](C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000126642638 187253320 /nfs/dbraw/zinc/25/33/20/187253320.db2.gz RFPPPZSJAKSYIU-AAEUAGOBSA-N 1 0 291.351 1.941 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596518864 343340592 /nfs/dbraw/zinc/34/05/92/343340592.db2.gz XXKJJNAJPUPPHO-LLVKDONJSA-N 1 0 292.339 1.590 20 5 CDBDRO NC(=O)C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000588977630 342446680 /nfs/dbraw/zinc/44/66/80/342446680.db2.gz QZVFEIAJTHNUDD-SECBINFHSA-N 1 0 281.287 1.431 20 5 CDBDRO CC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000050990599 342447385 /nfs/dbraw/zinc/44/73/85/342447385.db2.gz FSIBIKRPSLNZDW-UHFFFAOYSA-N 1 0 277.324 1.695 20 5 CDBDRO CCc1ccc(C(=O)N(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000158873418 342438403 /nfs/dbraw/zinc/43/84/03/342438403.db2.gz BSGFYYPFHLKVEW-UHFFFAOYSA-N 1 0 265.313 1.578 20 5 CDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000597696095 343614267 /nfs/dbraw/zinc/61/42/67/343614267.db2.gz BGHIXCOEQMGWJE-WPRPVWTQSA-N 1 0 266.301 1.088 20 5 CDBDRO C[C@H](CCNC(=O)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000597997132 343684870 /nfs/dbraw/zinc/68/48/70/343684870.db2.gz MBAYLYGKDNMKSF-SNVBAGLBSA-N 1 0 265.313 1.665 20 5 CDBDRO C[C@H](CCNC(=O)c1csc([N+](=O)[O-])c1)[NH+](C)C ZINC000597998067 343685279 /nfs/dbraw/zinc/68/52/79/343685279.db2.gz OUAOVNKEUAFKOS-MRVPVSSYSA-N 1 0 271.342 1.726 20 5 CDBDRO CC[NH2+][C@@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000598638595 343854009 /nfs/dbraw/zinc/85/40/09/343854009.db2.gz PLXYTFCHBUDQDN-VIFPVBQESA-N 1 0 251.286 1.840 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@H](C(C)C)C2)c1 ZINC000598572897 343832864 /nfs/dbraw/zinc/83/28/64/343832864.db2.gz MMNPGOZNPLNNQU-ZDUSSCGKSA-N 1 0 291.351 1.973 20 5 CDBDRO C[NH2+]C1(CNc2ncc([N+](=O)[O-])cc2F)CCC1 ZINC000598632199 343849588 /nfs/dbraw/zinc/84/95/88/343849588.db2.gz AZNUECYMPHHESF-UHFFFAOYSA-N 1 0 254.265 1.683 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)ccc1[N+](=O)[O-] ZINC000598667830 343859097 /nfs/dbraw/zinc/85/90/97/343859097.db2.gz MKKFZRDLMLVQKO-IUODEOHRSA-N 1 0 289.335 1.857 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598916284 343920063 /nfs/dbraw/zinc/92/00/63/343920063.db2.gz WUGIXPDOXNDFCR-SSDOTTSWSA-N 1 0 270.264 1.593 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[NH2+]C1 ZINC000598915951 343920183 /nfs/dbraw/zinc/92/01/83/343920183.db2.gz RIPKEYGUWHNBBD-SSDOTTSWSA-N 1 0 284.703 1.732 20 5 CDBDRO Cc1c(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cccc1[N+](=O)[O-] ZINC000599989011 344160565 /nfs/dbraw/zinc/16/05/65/344160565.db2.gz RKGMBRRIECLWQX-IMRBUKKESA-N 1 0 289.335 1.535 20 5 CDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601672227 344217414 /nfs/dbraw/zinc/21/74/14/344217414.db2.gz VMZVLGGTPOWWQY-JTQLQIEISA-N 1 0 295.314 1.948 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2C3CCC2CC3)c1 ZINC000602150315 344351868 /nfs/dbraw/zinc/35/18/68/344351868.db2.gz GJDXBIGVQUJXOL-ORHYLEIMSA-N 1 0 292.335 1.961 20 5 CDBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])N(C)C ZINC000602126181 344354849 /nfs/dbraw/zinc/35/48/49/344354849.db2.gz NRROYOPCYJGNMA-SSDOTTSWSA-N 1 0 253.258 1.189 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000601971591 344300218 /nfs/dbraw/zinc/30/02/18/344300218.db2.gz DZTTZAYMYUZKLQ-TXEJJXNPSA-N 1 0 278.308 1.552 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602428450 344422362 /nfs/dbraw/zinc/42/23/62/344422362.db2.gz NSJCUJWVTQIVCD-SECBINFHSA-N 1 0 281.287 1.558 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602497095 344441640 /nfs/dbraw/zinc/44/16/40/344441640.db2.gz SMHGUDILJNVOKK-IUCAKERBSA-N 1 0 281.287 1.591 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000602534744 344470466 /nfs/dbraw/zinc/47/04/66/344470466.db2.gz JWXAXHZYTHUVTM-UHFFFAOYSA-N 1 0 267.285 1.024 20 5 CDBDRO COc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000602592282 344480899 /nfs/dbraw/zinc/48/08/99/344480899.db2.gz PSAXYJTYQPYHJA-PHIMTYICSA-N 1 0 291.307 1.180 20 5 CDBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602780776 344596549 /nfs/dbraw/zinc/59/65/49/344596549.db2.gz RTIOFZZNQLDDEM-OLZOCXBDSA-N 1 0 296.371 1.725 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000602795583 344586601 /nfs/dbraw/zinc/58/66/01/344586601.db2.gz NMMDFAIHNRZOBX-VXGBXAGGSA-N 1 0 282.344 1.193 20 5 CDBDRO CC(C)OCC[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000562985066 293233730 /nfs/dbraw/zinc/23/37/30/293233730.db2.gz GPBOOEBKQDHDDF-CQSZACIVSA-N 1 0 282.340 1.860 20 5 CDBDRO CCC[C@]1(CO)CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602827249 344612526 /nfs/dbraw/zinc/61/25/26/344612526.db2.gz BXXARIXOTUQKSG-AWEZNQCLSA-N 1 0 296.371 1.584 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CO)C1CCCC1 ZINC000602838066 344620257 /nfs/dbraw/zinc/62/02/57/344620257.db2.gz PHGQCTNWMLIEOG-LBPRGKRZSA-N 1 0 282.344 1.240 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000603405702 344803739 /nfs/dbraw/zinc/80/37/39/344803739.db2.gz DIRBCODWBGHJFJ-NXEZZACHSA-N 1 0 250.302 1.884 20 5 CDBDRO C[C@](C[NH3+])(NC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000127294240 187294941 /nfs/dbraw/zinc/29/49/41/187294941.db2.gz GPZXGBJVYHVGCC-CQSZACIVSA-N 1 0 277.324 1.381 20 5 CDBDRO COc1ccc(C(=O)N[C@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000127298838 187294955 /nfs/dbraw/zinc/29/49/55/187294955.db2.gz ZLZWYKGZZJLLTI-CQSZACIVSA-N 1 0 293.323 1.461 20 5 CDBDRO Cc1cc(N2CCN([C@@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000314807757 344914633 /nfs/dbraw/zinc/91/46/33/344914633.db2.gz PAEJNSKSPCOHPR-CQSZACIVSA-N 1 0 290.367 1.387 20 5 CDBDRO COCCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000273241035 192084007 /nfs/dbraw/zinc/08/40/07/192084007.db2.gz YSUHEIWYPYPKRQ-UHFFFAOYSA-N 1 0 295.343 1.298 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344278766 362554249 /nfs/dbraw/zinc/55/42/49/362554249.db2.gz XYYZKTIXOSJAIT-LBPRGKRZSA-N 1 0 295.314 1.900 20 5 CDBDRO COc1cc(C[NH2+]C[C@]2(C)CCOC2)c([N+](=O)[O-])cc1O ZINC000344374081 362574565 /nfs/dbraw/zinc/57/45/65/362574565.db2.gz UABRQQOVLBKHQD-AWEZNQCLSA-N 1 0 296.323 1.825 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000295101637 199345489 /nfs/dbraw/zinc/34/54/89/199345489.db2.gz SXVCWGYGYJVTEN-NEPJUHHUSA-N 1 0 280.324 1.854 20 5 CDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000127453179 187307814 /nfs/dbraw/zinc/30/78/14/187307814.db2.gz VSMUAKNMAHDXQE-ZDUSSCGKSA-N 1 0 283.303 1.837 20 5 CDBDRO CN(CCCC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000610522312 346304200 /nfs/dbraw/zinc/30/42/00/346304200.db2.gz QTPAQOOOJCPWMA-UHFFFAOYSA-N 1 0 294.355 1.591 20 5 CDBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cn1)N1CC[NH+](C)CC1 ZINC000057838224 347101521 /nfs/dbraw/zinc/10/15/21/347101521.db2.gz AQXGKMPYNODISY-NSHDSACASA-N 1 0 279.344 1.038 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000611084745 346604340 /nfs/dbraw/zinc/60/43/40/346604340.db2.gz QGJTYQULBVUMGS-SNVBAGLBSA-N 1 0 286.353 1.426 20 5 CDBDRO Cc1cc(N2CC[N@@H+](C)[C@H](C)[C@H]2C)ncc1[N+](=O)[O-] ZINC000611299132 346740538 /nfs/dbraw/zinc/74/05/38/346740538.db2.gz QKRAUQUANDKRKR-GHMZBOCLSA-N 1 0 264.329 1.827 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000086467270 179297388 /nfs/dbraw/zinc/29/73/88/179297388.db2.gz SAHGLKALOOKZTP-QWRGUYRKSA-N 1 0 277.324 1.726 20 5 CDBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC([NH3+])C1 ZINC000295147649 199372285 /nfs/dbraw/zinc/37/22/85/199372285.db2.gz CHNRXSJEWJVPEN-UHFFFAOYSA-N 1 0 263.297 1.085 20 5 CDBDRO COCC[NH+](CCOC)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208940 348952863 /nfs/dbraw/zinc/95/28/63/348952863.db2.gz DALIELUFICUEAY-UHFFFAOYSA-N 1 0 298.339 1.568 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@]12CC[NH2+]C2 ZINC001579180776 1172111599 /nfs/dbraw/zinc/11/15/99/1172111599.db2.gz RHEJHJCSUSYJRI-HNNXBMFYSA-N 1 0 291.351 1.931 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000068471109 349068144 /nfs/dbraw/zinc/06/81/44/349068144.db2.gz OERJQKVTTOBGLN-LLVKDONJSA-N 1 0 295.339 1.430 20 5 CDBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000110646791 349138444 /nfs/dbraw/zinc/13/84/44/349138444.db2.gz SYEMMDMGXLRLKZ-SECBINFHSA-N 1 0 280.328 1.133 20 5 CDBDRO COCC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2C)C1 ZINC000271287794 191051630 /nfs/dbraw/zinc/05/16/30/191051630.db2.gz HROIOXBVPMKVBD-LLVKDONJSA-N 1 0 280.328 1.431 20 5 CDBDRO Cc1c(NC(=O)C[C@@H]2C[NH2+]CCO2)cccc1[N+](=O)[O-] ZINC000091300090 180126775 /nfs/dbraw/zinc/12/67/75/180126775.db2.gz YZHDFQWRKHXXFL-SNVBAGLBSA-N 1 0 279.296 1.220 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091546655 180186806 /nfs/dbraw/zinc/18/68/06/180186806.db2.gz AESFQYBGUXRNFM-VHSXEESVSA-N 1 0 263.297 1.969 20 5 CDBDRO CC[N@H+](C)C[C@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000515666275 362956448 /nfs/dbraw/zinc/95/64/48/362956448.db2.gz VIQQAGWMGLLTJA-HNNXBMFYSA-N 1 0 293.367 1.266 20 5 CDBDRO Cc1c(C(=O)NC2(C[NH3+])CCCC2)cccc1[N+](=O)[O-] ZINC000109705870 186269442 /nfs/dbraw/zinc/26/94/42/186269442.db2.gz LYJWLTIWIMECSX-UHFFFAOYSA-N 1 0 277.324 1.905 20 5 CDBDRO CCC[NH+]1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000311776664 350716014 /nfs/dbraw/zinc/71/60/14/350716014.db2.gz HHHHTVCCXFRPCG-UHFFFAOYSA-N 1 0 265.317 1.104 20 5 CDBDRO C[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@H](C)[NH2+]1 ZINC000312774504 350792072 /nfs/dbraw/zinc/79/20/72/350792072.db2.gz MEOQKDPZHUUFJT-OCAPTIKFSA-N 1 0 293.352 1.786 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000123815634 351289356 /nfs/dbraw/zinc/28/93/56/351289356.db2.gz SOYLYNDBCKAEGB-ZWNOBZJWSA-N 1 0 265.313 1.143 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000123816141 351289728 /nfs/dbraw/zinc/28/97/28/351289728.db2.gz BCDDKKYXOYSAFT-MFKMUULPSA-N 1 0 265.313 1.143 20 5 CDBDRO C[NH2+]CCS[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000516284699 363051311 /nfs/dbraw/zinc/05/13/11/363051311.db2.gz GYDIRTLWBBQDJP-VIFPVBQESA-N 1 0 283.353 1.874 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000122389649 187030132 /nfs/dbraw/zinc/03/01/32/187030132.db2.gz GJHMUFNFVMZHJB-BDAKNGLRSA-N 1 0 265.269 1.154 20 5 CDBDRO C[C@@H](CC(=O)N(C)C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123257272 187080916 /nfs/dbraw/zinc/08/09/16/187080916.db2.gz ZNYXNSMMBXPSFB-NSHDSACASA-N 1 0 279.340 1.594 20 5 CDBDRO O=C(NC1CC[NH2+]CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000123256026 187080918 /nfs/dbraw/zinc/08/09/18/187080918.db2.gz WDTFYKCOLXUSSR-UHFFFAOYSA-N 1 0 267.260 1.216 20 5 CDBDRO COC(=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000036804383 363096309 /nfs/dbraw/zinc/09/63/09/363096309.db2.gz YXXAYURBRIKNHL-SECBINFHSA-N 1 0 252.270 1.809 20 5 CDBDRO COCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000271612613 191240344 /nfs/dbraw/zinc/24/03/44/191240344.db2.gz KMDAAODSHGOFKI-GFCCVEGCSA-N 1 0 265.313 1.727 20 5 CDBDRO COC[C@@H](O)CC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000153721628 188099159 /nfs/dbraw/zinc/09/91/59/188099159.db2.gz VCOHFSKRSIMOHP-NSHDSACASA-N 1 0 284.312 1.090 20 5 CDBDRO C[NH+](C)C1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000271697399 191280633 /nfs/dbraw/zinc/28/06/33/191280633.db2.gz BLZIRRROSRHDLL-UHFFFAOYSA-N 1 0 287.266 1.946 20 5 CDBDRO CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@H](C[NH3+])C1CC1 ZINC000159780832 363297692 /nfs/dbraw/zinc/29/76/92/363297692.db2.gz WPULQKHRSHLHMO-MYSGNRETSA-N 1 0 289.335 1.804 20 5 CDBDRO CCS(=O)(=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173380500 188852214 /nfs/dbraw/zinc/85/22/14/188852214.db2.gz MTAUVCMLNYRCSV-JTQLQIEISA-N 1 0 286.353 1.680 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000126996543 356214103 /nfs/dbraw/zinc/21/41/03/356214103.db2.gz YQQADSOROHFUTD-QMMMGPOBSA-N 1 0 281.337 1.408 20 5 CDBDRO COc1ccc(C[NH2+]C[C@@H]2COCCO2)cc1[N+](=O)[O-] ZINC000038062010 356626223 /nfs/dbraw/zinc/62/62/23/356626223.db2.gz WEFMHAGELYGBRA-LLVKDONJSA-N 1 0 282.296 1.108 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000163603406 356937493 /nfs/dbraw/zinc/93/74/93/356937493.db2.gz KNRIXPWKHVNEQD-ZWNOBZJWSA-N 1 0 291.351 1.960 20 5 CDBDRO CN1CCC[C@@H]([N@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000560487341 356969617 /nfs/dbraw/zinc/96/96/17/356969617.db2.gz WTUCGPQQVRZMMI-CQSZACIVSA-N 1 0 291.351 1.690 20 5 CDBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cn2)CCC1 ZINC000097934147 356956390 /nfs/dbraw/zinc/95/63/90/356956390.db2.gz XNDSHIFXOJZBTD-UHFFFAOYSA-N 1 0 250.302 1.886 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000163655897 357049194 /nfs/dbraw/zinc/04/91/94/357049194.db2.gz MEWSYJZQZRBCFA-ZWNOBZJWSA-N 1 0 291.351 1.960 20 5 CDBDRO COc1cccc(N2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC000135048375 357237976 /nfs/dbraw/zinc/23/79/76/357237976.db2.gz WALMWHBUTDWMJG-UHFFFAOYSA-N 1 0 251.286 1.531 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]C[C@H]1C ZINC000261893537 357339430 /nfs/dbraw/zinc/33/94/30/357339430.db2.gz UIRSFYCLBIGQFA-LLVKDONJSA-N 1 0 292.339 1.135 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000566247833 357440422 /nfs/dbraw/zinc/44/04/22/357440422.db2.gz WBZIDCIYLRGKCY-ZWNOBZJWSA-N 1 0 291.351 1.944 20 5 CDBDRO CC(C)C[C@H](C[NH3+])NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000236843980 357520364 /nfs/dbraw/zinc/52/03/64/357520364.db2.gz ACODELRMXNHDAQ-LLVKDONJSA-N 1 0 295.339 1.463 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000186727618 357680125 /nfs/dbraw/zinc/68/01/25/357680125.db2.gz LLXZKEYJQIXUBB-GXFFZTMASA-N 1 0 293.323 1.088 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000186727584 357680216 /nfs/dbraw/zinc/68/02/16/357680216.db2.gz LLXZKEYJQIXUBB-GWCFXTLKSA-N 1 0 293.323 1.088 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](C2CCC2)CC1 ZINC000360909951 357743345 /nfs/dbraw/zinc/74/33/45/357743345.db2.gz NSMVMAICYKSDFS-UHFFFAOYSA-N 1 0 293.371 1.794 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[NH2+]C(C)(C)C ZINC000360953343 357756480 /nfs/dbraw/zinc/75/64/80/357756480.db2.gz JUHHYLJSNZMAMI-UHFFFAOYSA-N 1 0 269.349 1.920 20 5 CDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000408122508 358164201 /nfs/dbraw/zinc/16/42/01/358164201.db2.gz XWUFSEWGOHXAAA-GXSJLCMTSA-N 1 0 293.327 1.017 20 5 CDBDRO CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1(C)C ZINC000559247394 358234483 /nfs/dbraw/zinc/23/44/83/358234483.db2.gz OMBNKOZZZKSACP-UHFFFAOYSA-N 1 0 295.314 1.900 20 5 CDBDRO C[C@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294780978 199180130 /nfs/dbraw/zinc/18/01/30/199180130.db2.gz NVDYXMFIOVEEMH-TVQRCGJNSA-N 1 0 297.380 1.696 20 5 CDBDRO C[C@H]1OCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000149668654 358341897 /nfs/dbraw/zinc/34/18/97/358341897.db2.gz FWBBPNBECQEBGP-ZWNOBZJWSA-N 1 0 266.297 1.741 20 5 CDBDRO Cc1n[nH]cc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365985958 358754208 /nfs/dbraw/zinc/75/42/08/358754208.db2.gz DVXPJGNNQPASJT-UHFFFAOYSA-N 1 0 290.327 1.660 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000186750299 358821559 /nfs/dbraw/zinc/82/15/59/358821559.db2.gz UHXLMRLKGQCUCK-PWSUYJOCSA-N 1 0 277.324 1.252 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000186778347 358823625 /nfs/dbraw/zinc/82/36/25/358823625.db2.gz VIQMXMYVZKBCFF-KWQFWETISA-N 1 0 297.742 1.976 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000104190376 358951067 /nfs/dbraw/zinc/95/10/67/358951067.db2.gz OMNPROQIKPZBPB-NSHDSACASA-N 1 0 293.323 1.042 20 5 CDBDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000219037178 359020839 /nfs/dbraw/zinc/02/08/39/359020839.db2.gz WHYOKEJWBPGPBJ-VXNVDRBHSA-N 1 0 276.383 1.858 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000569689977 359255575 /nfs/dbraw/zinc/25/55/75/359255575.db2.gz CIXNNEIAUIYTHI-QWHCGFSZSA-N 1 0 277.324 1.599 20 5 CDBDRO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000048336229 359201788 /nfs/dbraw/zinc/20/17/88/359201788.db2.gz GSICIPYZXCDYKF-SNVBAGLBSA-N 1 0 296.323 1.844 20 5 CDBDRO CCC(CC)(C[NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000165248911 363642135 /nfs/dbraw/zinc/64/21/35/363642135.db2.gz ZYXORXCINDOVNZ-UHFFFAOYSA-N 1 0 279.340 1.976 20 5 CDBDRO CCC[C@H]([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015955 359275518 /nfs/dbraw/zinc/27/55/18/359275518.db2.gz DYDVMWFWKXKXLU-JTQLQIEISA-N 1 0 251.286 1.338 20 5 CDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000050162318 359352464 /nfs/dbraw/zinc/35/24/64/359352464.db2.gz PCDIYDQCIZZNKL-DTWKUNHWSA-N 1 0 266.301 1.041 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000339784746 359437755 /nfs/dbraw/zinc/43/77/55/359437755.db2.gz REZJCHQKZKTRHJ-VIFPVBQESA-N 1 0 268.317 1.383 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000050245623 359407197 /nfs/dbraw/zinc/40/71/97/359407197.db2.gz AJBHVJHRZMYDAE-SNVBAGLBSA-N 1 0 263.297 1.324 20 5 CDBDRO CC(C)(C)[C@H]([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015974 359561430 /nfs/dbraw/zinc/56/14/30/359561430.db2.gz MPIJVPLKDZPKDA-LLVKDONJSA-N 1 0 265.313 1.584 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000044531671 283469301 /nfs/dbraw/zinc/46/93/01/283469301.db2.gz OAQRUVYLYUYDFS-VIFPVBQESA-N 1 0 253.277 1.909 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000297394389 200175203 /nfs/dbraw/zinc/17/52/03/200175203.db2.gz OPEXQDYSFXNGGN-BXKDBHETSA-N 1 0 263.297 1.547 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000089091366 283478652 /nfs/dbraw/zinc/47/86/52/283478652.db2.gz XFOIRGXGPVPNAO-JQWIXIFHSA-N 1 0 263.297 1.452 20 5 CDBDRO C[NH2+]CCCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000121071024 359937187 /nfs/dbraw/zinc/93/71/87/359937187.db2.gz ZELNCXCAZBCXED-UHFFFAOYSA-N 1 0 280.328 1.123 20 5 CDBDRO Cc1c(C[N@@H+]2CC[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000051887245 359949158 /nfs/dbraw/zinc/94/91/58/359949158.db2.gz VKNBRPVZNMPJOH-LLVKDONJSA-N 1 0 250.298 1.717 20 5 CDBDRO Cc1nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ncc1[N+](=O)[O-] ZINC000296995538 360052360 /nfs/dbraw/zinc/05/23/60/360052360.db2.gz FPKBLQAKWKSRGZ-MNOVXSKESA-N 1 0 277.328 1.366 20 5 CDBDRO C[C@@H](CO)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000127526194 360632023 /nfs/dbraw/zinc/63/20/23/360632023.db2.gz FLEZULKLSAHEEN-GWCFXTLKSA-N 1 0 264.325 1.886 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCC[NH2+]1 ZINC000178751866 189143041 /nfs/dbraw/zinc/14/30/41/189143041.db2.gz RDBVTEJMGYZNFM-JTQLQIEISA-N 1 0 297.742 1.659 20 5 CDBDRO [NH3+][C@H]1CCCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000420126728 283627363 /nfs/dbraw/zinc/62/73/63/283627363.db2.gz UMGCPQZTMCLTAD-VIFPVBQESA-N 1 0 273.296 1.466 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)CC[NH2+]1 ZINC000235727347 361163661 /nfs/dbraw/zinc/16/36/61/361163661.db2.gz DDDLCTCWXQGOBR-JGVFFNPUSA-N 1 0 269.326 1.527 20 5 CDBDRO CCC(CC)(C[NH3+])NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000236743973 361366634 /nfs/dbraw/zinc/36/66/34/361366634.db2.gz VPNVBSZZQLUQLW-UHFFFAOYSA-N 1 0 297.359 1.124 20 5 CDBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CCC[N@H+](C)C1 ZINC000053251039 361403580 /nfs/dbraw/zinc/40/35/80/361403580.db2.gz LCIWGWLPWIHYPC-LLVKDONJSA-N 1 0 292.339 1.343 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2COCCO2)cc1 ZINC000037998095 361522637 /nfs/dbraw/zinc/52/26/37/361522637.db2.gz IHYBCIVAFZDBOB-LBPRGKRZSA-N 1 0 252.270 1.100 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000088147749 364260888 /nfs/dbraw/zinc/26/08/88/364260888.db2.gz DVPNEMYSOCQZKZ-JTQLQIEISA-N 1 0 263.297 1.385 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CO)[C@H]2CCCO2)c1 ZINC000447907487 364584875 /nfs/dbraw/zinc/58/48/75/364584875.db2.gz RWFNHCJXUSONAN-QWHCGFSZSA-N 1 0 266.297 1.224 20 5 CDBDRO C[C@@H]1C[N@H+](C)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000353597509 364897108 /nfs/dbraw/zinc/89/71/08/364897108.db2.gz TXNNFFJEWJKXCC-SECBINFHSA-N 1 0 255.343 1.792 20 5 CDBDRO CC1(C[NH2+]CCc2ccccc2[N+](=O)[O-])COC1 ZINC000094722195 366884296 /nfs/dbraw/zinc/88/42/96/366884296.db2.gz DGFDROOUYVIPAZ-UHFFFAOYSA-N 1 0 250.298 1.763 20 5 CDBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccncc1 ZINC000270970966 366949269 /nfs/dbraw/zinc/94/92/69/366949269.db2.gz CMOPNGFKBCDNKG-UHFFFAOYSA-N 1 0 275.312 1.708 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417234475 242372191 /nfs/dbraw/zinc/37/21/91/242372191.db2.gz PVIOATQDMHTPCY-LLVKDONJSA-N 1 0 294.355 1.292 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000330889052 203356256 /nfs/dbraw/zinc/35/62/56/203356256.db2.gz BBHKBXVYUTUDFE-AAEUAGOBSA-N 1 0 291.351 1.736 20 5 CDBDRO CC(C)(O)CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000330896661 203364744 /nfs/dbraw/zinc/36/47/44/203364744.db2.gz NKRDFXZSJRQYHI-NSHDSACASA-N 1 0 294.355 1.637 20 5 CDBDRO CCN(CCC[NH+](C)C)c1c([N+](=O)[O-])c(C)nn1C ZINC000276260608 193262004 /nfs/dbraw/zinc/26/20/04/193262004.db2.gz UGGMZZSKXLDRKZ-UHFFFAOYSA-N 1 0 269.349 1.415 20 5 CDBDRO CC(C)(C)[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330928833 203397009 /nfs/dbraw/zinc/39/70/09/203397009.db2.gz MANFAGLJZYOULL-CHWSQXEVSA-N 1 0 296.371 1.663 20 5 CDBDRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766503 370079373 /nfs/dbraw/zinc/07/93/73/370079373.db2.gz PHYGLOHTLYVZOH-CABZTGNLSA-N 1 0 265.313 1.755 20 5 CDBDRO CC[N@H+](CCNc1ncc([N+](=O)[O-])c(C)n1)C1CC1 ZINC000295419146 370220673 /nfs/dbraw/zinc/22/06/73/370220673.db2.gz DUFKAPSLPBDBHZ-UHFFFAOYSA-N 1 0 265.317 1.589 20 5 CDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000422703288 245161185 /nfs/dbraw/zinc/16/11/85/245161185.db2.gz HLYKNNQHIWQKNM-SECBINFHSA-N 1 0 295.364 1.880 20 5 CDBDRO COc1ccc(CNCC(F)(F)CN)cc1[N+](=O)[O-] ZINC000414927066 371107189 /nfs/dbraw/zinc/10/71/89/371107189.db2.gz KVEJRECVXQEUPV-UHFFFAOYSA-N 1 0 275.255 1.287 20 5 CDBDRO CC[C@@H]([NH3+])CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000414973152 371196827 /nfs/dbraw/zinc/19/68/27/371196827.db2.gz BVAJBAUSSOPVDE-SNVBAGLBSA-N 1 0 253.302 1.430 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000168697025 371282691 /nfs/dbraw/zinc/28/26/91/371282691.db2.gz WBCITZREHFLSTO-MRVPVSSYSA-N 1 0 285.731 1.928 20 5 CDBDRO CO[C@@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCOC1 ZINC000122874823 372315416 /nfs/dbraw/zinc/31/54/16/372315416.db2.gz AJWSWBVSWGHEIZ-CYBMUJFWSA-N 1 0 266.297 1.490 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NCCC1CC[NH+](C)CC1 ZINC000133907656 373038197 /nfs/dbraw/zinc/03/81/97/373038197.db2.gz WHGSWPVJJORLCF-UHFFFAOYSA-N 1 0 267.333 1.472 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000121817755 373236489 /nfs/dbraw/zinc/23/64/89/373236489.db2.gz LIRDCIFGYPEJCR-DTWKUNHWSA-N 1 0 251.286 1.428 20 5 CDBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)C[NH+](C)C ZINC000341266079 373514255 /nfs/dbraw/zinc/51/42/55/373514255.db2.gz RNCYHDLVZVKNRO-JTQLQIEISA-N 1 0 297.330 1.590 20 5 CDBDRO C[C@H](CO)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298672667 373765016 /nfs/dbraw/zinc/76/50/16/373765016.db2.gz YNHOSZZMHQXLEC-SNVBAGLBSA-N 1 0 281.312 1.236 20 5 CDBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000266577032 374019027 /nfs/dbraw/zinc/01/90/27/374019027.db2.gz UMDFOFSKKNWJET-QWRGUYRKSA-N 1 0 292.339 1.622 20 5 CDBDRO CC(C)[C@@H](CCO)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000274110815 374111496 /nfs/dbraw/zinc/11/14/96/374111496.db2.gz VTPKELSIDMPZQL-GFCCVEGCSA-N 1 0 295.339 1.190 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000298965827 374280037 /nfs/dbraw/zinc/28/00/37/374280037.db2.gz FPNNRGCHAHIHSZ-KBPBESRZSA-N 1 0 289.335 1.951 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)NC(N)=O)cc1[N+](=O)[O-] ZINC000298971472 374280325 /nfs/dbraw/zinc/28/03/25/374280325.db2.gz PEHPFMBNDZRJKT-SECBINFHSA-N 1 0 294.311 1.139 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000161617799 374356031 /nfs/dbraw/zinc/35/60/31/374356031.db2.gz MRQNPNNPFFHCPU-WDEREUQCSA-N 1 0 263.297 1.595 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000422848603 374362345 /nfs/dbraw/zinc/36/23/45/374362345.db2.gz AXSANBPOWXQGPX-SCZZXKLOSA-N 1 0 278.312 1.034 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+](C)C)c1 ZINC000130999310 374374404 /nfs/dbraw/zinc/37/44/04/374374404.db2.gz OKUFKSSVZSJYET-UHFFFAOYSA-N 1 0 251.286 1.195 20 5 CDBDRO C[C@@H](NC[C@@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000423527562 374387584 /nfs/dbraw/zinc/38/75/84/374387584.db2.gz RWXCVSLYULSYSW-MFKMUULPSA-N 1 0 265.313 1.234 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCC[NH2+]1 ZINC000080995531 374488819 /nfs/dbraw/zinc/48/88/19/374488819.db2.gz RJACUJVFNSJRBZ-CYBMUJFWSA-N 1 0 277.324 1.743 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)[C@@]2(F)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000376694459 374567134 /nfs/dbraw/zinc/56/71/34/374567134.db2.gz HNANICHNXRXGGD-IINYFYTJSA-N 1 0 295.314 1.782 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000429405393 374587451 /nfs/dbraw/zinc/58/74/51/374587451.db2.gz NFIAZJKZHFXKGJ-SECBINFHSA-N 1 0 291.307 1.926 20 5 CDBDRO CC(C)[C@@]1(CO)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000377653215 374615479 /nfs/dbraw/zinc/61/54/79/374615479.db2.gz PAFXYDPMWNWELB-ZDUSSCGKSA-N 1 0 282.344 1.132 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000070447186 374662226 /nfs/dbraw/zinc/66/22/26/374662226.db2.gz OGFNBVNFNWNYRV-ABZNLYFFSA-N 1 0 277.324 1.708 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000070447291 374662246 /nfs/dbraw/zinc/66/22/46/374662246.db2.gz MGSIOWGEYKUSDP-NSHDSACASA-N 1 0 266.301 1.700 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000070575586 374665160 /nfs/dbraw/zinc/66/51/60/374665160.db2.gz JYAZGRJQOGSIOW-RYUDHWBXSA-N 1 0 277.324 1.729 20 5 CDBDRO Cc1n[nH]c(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000277098936 374772491 /nfs/dbraw/zinc/77/24/91/374772491.db2.gz CGMTUFLTCXLTFZ-JTQLQIEISA-N 1 0 295.343 1.183 20 5 CDBDRO CO[C@]1(C)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000279398675 374896706 /nfs/dbraw/zinc/89/67/06/374896706.db2.gz UWIIAVUTDOELTD-GFCCVEGCSA-N 1 0 268.317 1.292 20 5 CDBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000347245601 374834677 /nfs/dbraw/zinc/83/46/77/374834677.db2.gz WXRBRXIYIDQLGP-VIFPVBQESA-N 1 0 268.317 1.383 20 5 CDBDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282376506 375081798 /nfs/dbraw/zinc/08/17/98/375081798.db2.gz CMUVCVKHDFOYED-UFBFGSQYSA-N 1 0 281.287 1.348 20 5 CDBDRO CCC[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332697831 375044811 /nfs/dbraw/zinc/04/48/11/375044811.db2.gz LQLNXWXNWOWCMP-UHFFFAOYSA-N 1 0 291.351 1.821 20 5 CDBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCCC1 ZINC000304346237 375431346 /nfs/dbraw/zinc/43/13/46/375431346.db2.gz QJIKBVKXKUTPAF-AWEZNQCLSA-N 1 0 296.371 1.807 20 5 CDBDRO C[N@@H+]1CC[C@H](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000352910485 375551705 /nfs/dbraw/zinc/55/17/05/375551705.db2.gz DFDKSNGZTKQOND-ZETCQYMHSA-N 1 0 289.133 1.506 20 5 CDBDRO CCCc1n[nH]c(C(=O)NC[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000294043736 375648455 /nfs/dbraw/zinc/64/84/55/375648455.db2.gz FVEFZZQZMPNCDA-VIFPVBQESA-N 1 0 297.359 1.198 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCC[C@H]1O ZINC000305810563 375659772 /nfs/dbraw/zinc/65/97/72/375659772.db2.gz LZFRCEMZGKYSLR-WCQYABFASA-N 1 0 282.344 1.274 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000345008482 375712867 /nfs/dbraw/zinc/71/28/67/375712867.db2.gz ZHUIVVCBQSTPFG-SNVBAGLBSA-N 1 0 280.328 1.147 20 5 CDBDRO [NH3+]CCCCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000496161917 375718427 /nfs/dbraw/zinc/71/84/27/375718427.db2.gz QEUULEBZHDAVJS-UHFFFAOYSA-N 1 0 294.311 1.702 20 5 CDBDRO Cn1cncc1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000355282337 375787859 /nfs/dbraw/zinc/78/78/59/375787859.db2.gz DABFOPKHTOHGDE-UHFFFAOYSA-N 1 0 266.282 1.320 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[NH2+]CC2)c1 ZINC000232237102 375844297 /nfs/dbraw/zinc/84/42/97/375844297.db2.gz VHJVZDKTBLZASC-NSHDSACASA-N 1 0 277.324 1.775 20 5 CDBDRO CC1(C)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C1CC1 ZINC000357433085 375908478 /nfs/dbraw/zinc/90/84/78/375908478.db2.gz CPWRDUMRRPUSOH-CHWSQXEVSA-N 1 0 294.355 1.273 20 5 CDBDRO CC(=O)c1ccc(NC[C@@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000358337735 375962290 /nfs/dbraw/zinc/96/22/90/375962290.db2.gz MDQVCOXLSOLFDH-AWEZNQCLSA-N 1 0 293.323 1.276 20 5 CDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C(N)=O ZINC000164572852 375919909 /nfs/dbraw/zinc/91/99/09/375919909.db2.gz YAXYNSOHYHHKOT-NXEZZACHSA-N 1 0 265.313 1.379 20 5 CDBDRO [NH3+]C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000357973470 375943233 /nfs/dbraw/zinc/94/32/33/375943233.db2.gz WZLSUEDFOCMHDV-HSBHDXMMSA-N 1 0 277.324 1.268 20 5 CDBDRO COC[C@@]1(C)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000296671039 376704416 /nfs/dbraw/zinc/70/44/16/376704416.db2.gz KTEBWUSSBCAHAO-LBPRGKRZSA-N 1 0 268.317 1.150 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H](C)[NH2+]1 ZINC000070075711 377002571 /nfs/dbraw/zinc/00/25/71/377002571.db2.gz HZQSNSCVRJCLJY-OCAPTIKFSA-N 1 0 253.258 1.010 20 5 CDBDRO [NH3+]CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(F)F ZINC000383482536 377478363 /nfs/dbraw/zinc/47/83/63/377478363.db2.gz UWCMTNYCAVEUPT-VIFPVBQESA-N 1 0 273.239 1.307 20 5 CDBDRO CCCNC(=O)C[N@H+](CCC)CCn1cc([N+](=O)[O-])cn1 ZINC000266889421 378336104 /nfs/dbraw/zinc/33/61/04/378336104.db2.gz DEPDUTCNKUBMMO-UHFFFAOYSA-N 1 0 297.359 1.030 20 5 CDBDRO COC[C@H](O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278677850 194098977 /nfs/dbraw/zinc/09/89/77/194098977.db2.gz JOXVQTYBTLRREN-TZMCWYRMSA-N 1 0 280.324 1.569 20 5 CDBDRO C[NH+]1CCC(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278821524 194170289 /nfs/dbraw/zinc/17/02/89/194170289.db2.gz ZKTPXKSMQLMCTH-UHFFFAOYSA-N 1 0 289.339 1.655 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1COCCO1 ZINC000449092448 250685440 /nfs/dbraw/zinc/68/54/40/250685440.db2.gz SPCXEJPJEIQZGR-AAEUAGOBSA-N 1 0 280.324 1.531 20 5 CDBDRO COC[C@H](O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449157585 250725667 /nfs/dbraw/zinc/72/56/67/250725667.db2.gz QQDNVFVLUUCVOE-CMPLNLGQSA-N 1 0 268.313 1.123 20 5 CDBDRO Cc1nc(NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000450255451 251194147 /nfs/dbraw/zinc/19/41/47/251194147.db2.gz BSWNSRWFUSUOTQ-QWRGUYRKSA-N 1 0 293.371 1.790 20 5 CDBDRO COc1ccc(NC(=O)/C=C\C[NH+](C)C)cc1[N+](=O)[O-] ZINC000492412435 253214228 /nfs/dbraw/zinc/21/42/28/253214228.db2.gz FMWRQFSYCUPXCG-PLNGDYQASA-N 1 0 279.296 1.660 20 5 CDBDRO CCOc1cc(C[N@H+]2C[C@H](O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492720216 253280299 /nfs/dbraw/zinc/28/02/99/253280299.db2.gz HJHGRYWNMGTCMQ-GWCFXTLKSA-N 1 0 280.324 1.806 20 5 CDBDRO COCCN(CC[NH+](C)C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000289424655 197340579 /nfs/dbraw/zinc/34/05/79/197340579.db2.gz JSNPYHBZUXHKPB-UHFFFAOYSA-N 1 0 295.383 1.913 20 5 CDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCF ZINC000281172241 195134299 /nfs/dbraw/zinc/13/42/99/195134299.db2.gz WJZJWRVEQLVGAJ-SECBINFHSA-N 1 0 269.276 1.871 20 5 CDBDRO CC[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000288282829 197043246 /nfs/dbraw/zinc/04/32/46/197043246.db2.gz GKQYKFHIDAZIBS-LBPRGKRZSA-N 1 0 291.351 1.690 20 5 CDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000288244397 197034852 /nfs/dbraw/zinc/03/48/52/197034852.db2.gz FUXRWRLMZZMEHS-WDEREUQCSA-N 1 0 292.339 1.622 20 5 CDBDRO CC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCCO1 ZINC000281385087 195219297 /nfs/dbraw/zinc/21/92/97/195219297.db2.gz MNPBSXICBASXFF-CYBMUJFWSA-N 1 0 295.339 1.257 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000094339345 184783727 /nfs/dbraw/zinc/78/37/27/184783727.db2.gz YQWBXEBGWPEUEV-GWCFXTLKSA-N 1 0 277.324 1.713 20 5 CDBDRO COCC[C@@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000281750619 195365080 /nfs/dbraw/zinc/36/50/80/195365080.db2.gz VYRZGOHNVCNJHS-NEPJUHHUSA-N 1 0 282.340 1.951 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000177005245 390377862 /nfs/dbraw/zinc/37/78/62/390377862.db2.gz CROSVNDVEZNXCR-JTQLQIEISA-N 1 0 281.312 1.744 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000320812442 390532792 /nfs/dbraw/zinc/53/27/92/390532792.db2.gz IKOKCYSNZKIMJF-DTWKUNHWSA-N 1 0 266.301 1.842 20 5 CDBDRO C[NH+](C)CCn1ccc(NCc2cccc([N+](=O)[O-])c2)n1 ZINC000119780640 390658275 /nfs/dbraw/zinc/65/82/75/390658275.db2.gz VDMPQUJCPULBJP-UHFFFAOYSA-N 1 0 289.339 1.965 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000158680603 390815984 /nfs/dbraw/zinc/81/59/84/390815984.db2.gz UGCLHGDHCKRMPS-JSGCOSHPSA-N 1 0 293.371 1.207 20 5 CDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1ncc([N+](=O)[O-])cn1 ZINC000273559805 390970265 /nfs/dbraw/zinc/97/02/65/390970265.db2.gz BIZCKMONUAWHGO-ONGXEEELSA-N 1 0 265.317 1.161 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C)C[NH2+]C ZINC000129583963 390989710 /nfs/dbraw/zinc/98/97/10/390989710.db2.gz LFKFCVVBKLGXEN-QMMMGPOBSA-N 1 0 255.322 1.387 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000342460251 391038646 /nfs/dbraw/zinc/03/86/46/391038646.db2.gz DXUXMVRYSZGNMI-MWLCHTKSSA-N 1 0 292.339 1.146 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)c1ncc([N+](=O)[O-])cc1F ZINC000413232462 391182554 /nfs/dbraw/zinc/18/25/54/391182554.db2.gz OTSDMDGNSXHUGW-UHFFFAOYSA-N 1 0 268.292 1.659 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000300064885 391189084 /nfs/dbraw/zinc/18/90/84/391189084.db2.gz HEHFKKMMUNQSOB-GXTWGEPZSA-N 1 0 261.325 1.779 20 5 CDBDRO CCn1c(CC[NH3+])nnc1Sc1ncccc1[N+](=O)[O-] ZINC000267141331 391234351 /nfs/dbraw/zinc/23/43/51/391234351.db2.gz ULTUZPZZOHVUDY-UHFFFAOYSA-N 1 0 294.340 1.254 20 5 CDBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000456345167 391275189 /nfs/dbraw/zinc/27/51/89/391275189.db2.gz HTIZGFNERUSWQK-LLVKDONJSA-N 1 0 294.355 1.490 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)CC[NH3+] ZINC000415294421 391279070 /nfs/dbraw/zinc/27/90/70/391279070.db2.gz KKWSYDUWMHMIIR-UHFFFAOYSA-N 1 0 266.301 1.634 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NCC[C@H]1CC[NH2+]C1 ZINC000110797935 391360920 /nfs/dbraw/zinc/36/09/20/391360920.db2.gz MSVCVGALHWHLBZ-SNVBAGLBSA-N 1 0 250.302 1.710 20 5 CDBDRO COc1ccc(NC(=O)N[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415429501 391413670 /nfs/dbraw/zinc/41/36/70/391413670.db2.gz BBRMSXRTJGMGNB-SECBINFHSA-N 1 0 280.284 1.087 20 5 CDBDRO CC[NH2+]CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000415488810 391466483 /nfs/dbraw/zinc/46/64/83/391466483.db2.gz VZOGJJDIDZCCKH-UHFFFAOYSA-N 1 0 280.328 1.943 20 5 CDBDRO CC[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304346218 130088453 /nfs/dbraw/zinc/08/84/53/130088453.db2.gz QJDXIJPGNHCMEH-WCQYABFASA-N 1 0 282.344 1.274 20 5 CDBDRO COc1cc(C[NH2+]C[C@@H](C)OC)c([N+](=O)[O-])cc1O ZINC000191153121 130190619 /nfs/dbraw/zinc/19/06/19/130190619.db2.gz JPLKBYHUXMHOTL-MRVPVSSYSA-N 1 0 270.285 1.434 20 5 CDBDRO COc1cccc(C(=O)NCC2([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000416308443 391985082 /nfs/dbraw/zinc/98/50/82/391985082.db2.gz QPVYBCCBPGHKHV-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134308157 391942055 /nfs/dbraw/zinc/94/20/55/391942055.db2.gz LONKHVUZXPVHGV-JTQLQIEISA-N 1 0 295.314 1.806 20 5 CDBDRO CC[C@H](NC(=O)C[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000237001986 130996021 /nfs/dbraw/zinc/99/60/21/130996021.db2.gz UHJNOPHQJIQHLX-NSHDSACASA-N 1 0 251.286 1.382 20 5 CDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H](C)C[NH3+] ZINC000237618513 131047666 /nfs/dbraw/zinc/04/76/66/131047666.db2.gz IXNBLQXOBZLQRE-NXEZZACHSA-N 1 0 297.380 1.881 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000237948799 131067988 /nfs/dbraw/zinc/06/79/88/131067988.db2.gz PPHJLULJVTYCQT-VIFPVBQESA-N 1 0 297.286 1.062 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261607428 131156190 /nfs/dbraw/zinc/15/61/90/131156190.db2.gz DGXGRDFPULNRDK-OLZOCXBDSA-N 1 0 289.335 1.348 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261711102 131163881 /nfs/dbraw/zinc/16/38/81/131163881.db2.gz PDIQMKOGDVPSNO-STQMWFEESA-N 1 0 289.335 1.205 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261771053 131167928 /nfs/dbraw/zinc/16/79/28/131167928.db2.gz KKLNPCJVNPBNCE-BETUJISGSA-N 1 0 289.335 1.666 20 5 CDBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000262009421 131183265 /nfs/dbraw/zinc/18/32/65/131183265.db2.gz SRWVOSKRDDIVEU-AWEZNQCLSA-N 1 0 294.355 1.670 20 5 CDBDRO O=[N+]([O-])c1cnc(NCC[C@H]2CCC[NH2+]2)c(F)c1 ZINC000420232314 392910357 /nfs/dbraw/zinc/91/03/57/392910357.db2.gz CJFKWGIFLJJMNK-MRVPVSSYSA-N 1 0 254.265 1.683 20 5 CDBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)NCCF ZINC000521643474 392868911 /nfs/dbraw/zinc/86/89/11/392868911.db2.gz FXIHBQABULLBKR-CABZTGNLSA-N 1 0 295.314 1.646 20 5 CDBDRO C[C@@H]([NH3+])CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418231881 392879366 /nfs/dbraw/zinc/87/93/66/392879366.db2.gz LYFKBQVWGQTJTN-ZJUUUORDSA-N 1 0 280.328 1.692 20 5 CDBDRO CC[C@@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000425911302 393031002 /nfs/dbraw/zinc/03/10/02/393031002.db2.gz AKVFZNDZTDPTOE-CYBMUJFWSA-N 1 0 250.298 1.942 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)[C@@H]1CO ZINC000430195094 393091332 /nfs/dbraw/zinc/09/13/32/393091332.db2.gz MYGFTZUEEIVOST-GWCFXTLKSA-N 1 0 280.324 1.806 20 5 CDBDRO C[C@](C[NH3+])(NCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000430571162 393100554 /nfs/dbraw/zinc/10/05/54/393100554.db2.gz NUKCNCSEPHMDMV-CQSZACIVSA-N 1 0 292.339 1.250 20 5 CDBDRO CC[C@H](O)C[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000118752730 393111475 /nfs/dbraw/zinc/11/14/75/393111475.db2.gz VRGYMRKFFGMCMH-LBPRGKRZSA-N 1 0 297.330 1.627 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000449596566 393136108 /nfs/dbraw/zinc/13/61/08/393136108.db2.gz XSIDUOXCSJAPSB-SFYZADRCSA-N 1 0 267.285 1.069 20 5 CDBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000449659500 393137548 /nfs/dbraw/zinc/13/75/48/393137548.db2.gz VUGXSNBPMJYPBY-JTQLQIEISA-N 1 0 285.250 1.322 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000449709906 393140006 /nfs/dbraw/zinc/14/00/06/393140006.db2.gz KUQCGVLNRYKNPK-MNOVXSKESA-N 1 0 293.323 1.217 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449694000 393140102 /nfs/dbraw/zinc/14/01/02/393140102.db2.gz GKEDGXWHESNXAL-GHMZBOCLSA-N 1 0 292.339 1.385 20 5 CDBDRO Cc1nc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000275369282 135105279 /nfs/dbraw/zinc/10/52/79/135105279.db2.gz NAVFAGSEMKUHAH-QWRGUYRKSA-N 1 0 294.355 1.190 20 5 CDBDRO C[N@@H+]1CC[C@@H](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000187658040 140082593 /nfs/dbraw/zinc/08/25/93/140082593.db2.gz BQUPOHXZELWNEA-SECBINFHSA-N 1 0 289.291 1.143 20 5 CDBDRO Cc1cc(C(=O)NC2(C)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000189330359 140113148 /nfs/dbraw/zinc/11/31/48/140113148.db2.gz KZGBSYUHTXZJTL-UHFFFAOYSA-N 1 0 277.324 1.775 20 5 CDBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000249680477 140297629 /nfs/dbraw/zinc/29/76/29/140297629.db2.gz BFKMNSWWOUTMGY-XWUBHJNHSA-N 1 0 296.371 1.567 20 5 CDBDRO Cc1nn(C)c(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000252672500 140321769 /nfs/dbraw/zinc/32/17/69/140321769.db2.gz ARGUKYFTKHOYME-QWRGUYRKSA-N 1 0 279.344 1.675 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1NC[C@@H]1C[NH2+]CCO1 ZINC000261557955 140347151 /nfs/dbraw/zinc/34/71/51/140347151.db2.gz CXKUXZMKAYARAF-QMMMGPOBSA-N 1 0 255.249 1.134 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)ccc1[N+](=O)[O-] ZINC000261587127 140357130 /nfs/dbraw/zinc/35/71/30/140357130.db2.gz JGBHTAXWSYBYRD-ONGXEEELSA-N 1 0 263.297 1.465 20 5 CDBDRO COCC1(CNc2nccc(C)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC000261615092 140362610 /nfs/dbraw/zinc/36/26/10/140362610.db2.gz FPHWTVBJZBVITH-UHFFFAOYSA-N 1 0 294.355 1.726 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261650482 140369969 /nfs/dbraw/zinc/36/99/69/140369969.db2.gz DESYSGDSWAERSJ-CQSZACIVSA-N 1 0 277.324 1.714 20 5 CDBDRO CNC(=O)c1ccc(N2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261738271 140382021 /nfs/dbraw/zinc/38/20/21/140382021.db2.gz RVUXETJJLBNIHB-AWEZNQCLSA-N 1 0 292.339 1.130 20 5 CDBDRO CCc1ccc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000261902091 140406344 /nfs/dbraw/zinc/40/63/44/140406344.db2.gz WTPRYMPAOIJMFK-WDEREUQCSA-N 1 0 291.351 1.967 20 5 CDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1C[NH2+]C1 ZINC000261932157 140409566 /nfs/dbraw/zinc/40/95/66/140409566.db2.gz LFYFYTZNEIUOQQ-VIFPVBQESA-N 1 0 295.364 1.411 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000131909483 397606238 /nfs/dbraw/zinc/60/62/38/397606238.db2.gz SKPYQZHKWVQOID-VVTYTDBCSA-N 1 0 289.335 1.804 20 5 CDBDRO CC[N@H+](C)C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176285685 148035551 /nfs/dbraw/zinc/03/55/51/148035551.db2.gz MXAOEYGMWZZOQS-LBPRGKRZSA-N 1 0 281.360 1.065 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000311019442 149207760 /nfs/dbraw/zinc/20/77/60/149207760.db2.gz QSMHHANDJWGKNE-SSDOTTSWSA-N 1 0 255.249 1.201 20 5 CDBDRO CSC[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000311446074 149212733 /nfs/dbraw/zinc/21/27/33/149212733.db2.gz QUZOWFBBGIACAL-GFCCVEGCSA-N 1 0 288.344 1.938 20 5 CDBDRO CSc1ccc(C(=O)NC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000343004120 151991781 /nfs/dbraw/zinc/99/17/81/151991781.db2.gz PTHSFKYGOIBDAJ-SECBINFHSA-N 1 0 297.380 1.997 20 5 CDBDRO COC(=O)c1cc(C)nc(N[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000343782590 152301014 /nfs/dbraw/zinc/30/10/14/152301014.db2.gz BUKGDPDPNRGICG-SECBINFHSA-N 1 0 296.327 1.447 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)C(C)C)c1 ZINC000173730400 292283216 /nfs/dbraw/zinc/28/32/16/292283216.db2.gz WQMSHCVBYBZZOM-UHFFFAOYSA-N 1 0 279.340 1.973 20 5 CDBDRO CO[C@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000346863124 153332291 /nfs/dbraw/zinc/33/22/91/153332291.db2.gz XDIFYBSQCNHJKM-KGLIPLIRSA-N 1 0 293.367 1.841 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1COCCO1 ZINC000349908073 154267686 /nfs/dbraw/zinc/26/76/86/154267686.db2.gz SOWOTXYYHIEIRY-CYBMUJFWSA-N 1 0 266.297 1.408 20 5 CDBDRO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@@H](C)O ZINC000352214511 155029144 /nfs/dbraw/zinc/02/91/44/155029144.db2.gz ZSMHFZFZMWOOBP-SNVBAGLBSA-N 1 0 268.313 1.806 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000363097784 159295666 /nfs/dbraw/zinc/29/56/66/159295666.db2.gz KECKGDFHAVPLBS-OCCSQVGLSA-N 1 0 289.335 1.951 20 5 CDBDRO CCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000020448595 171207457 /nfs/dbraw/zinc/20/74/57/171207457.db2.gz ZXKGEQJKMUZAMB-UHFFFAOYSA-N 1 0 281.312 1.792 20 5 CDBDRO C[NH+](C)C(C)(C)CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000023745425 171426615 /nfs/dbraw/zinc/42/66/15/171426615.db2.gz WQTWXHCROLWORH-UHFFFAOYSA-N 1 0 280.328 1.446 20 5 CDBDRO CCC[C@@]1([NH2+]CCn2cc([N+](=O)[O-])cn2)CCOC1 ZINC000285467403 196293988 /nfs/dbraw/zinc/29/39/88/196293988.db2.gz HGTDVOUYXYXZNK-GFCCVEGCSA-N 1 0 268.317 1.340 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000037225279 173045715 /nfs/dbraw/zinc/04/57/15/173045715.db2.gz BSEFJWXFQGZLNC-SNVBAGLBSA-N 1 0 265.313 1.642 20 5 CDBDRO Cn1nccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040675975 174373401 /nfs/dbraw/zinc/37/34/01/174373401.db2.gz VWLLTWCHDUEZTA-UHFFFAOYSA-N 1 0 260.297 1.661 20 5 CDBDRO CC(C)(C)CC(C)(C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000043434687 175044390 /nfs/dbraw/zinc/04/43/90/175044390.db2.gz JVGJNBNAEJFHOY-LBPRGKRZSA-N 1 0 298.387 1.957 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000044501728 175185850 /nfs/dbraw/zinc/18/58/50/175185850.db2.gz HBVPMMZKDYOYTH-LLVKDONJSA-N 1 0 277.324 1.633 20 5 CDBDRO COc1ccc(CN2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000044531283 175196457 /nfs/dbraw/zinc/19/64/57/175196457.db2.gz PFHXCJPNDVZDMR-GFCCVEGCSA-N 1 0 279.340 1.774 20 5 CDBDRO CNC(=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000044988687 175285544 /nfs/dbraw/zinc/28/55/44/175285544.db2.gz JFPOQPPUYYQHHG-SECBINFHSA-N 1 0 251.286 1.382 20 5 CDBDRO CNC(=O)CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000044989713 175285787 /nfs/dbraw/zinc/28/57/87/175285787.db2.gz PMFVOVHRFDLTLZ-UHFFFAOYSA-N 1 0 251.286 1.129 20 5 CDBDRO COc1ccc(C(=O)N(C)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000071310118 176117112 /nfs/dbraw/zinc/11/71/12/176117112.db2.gz HRTUCBDUMRNJFE-SNVBAGLBSA-N 1 0 279.296 1.037 20 5 CDBDRO NC(=O)[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000071950981 176303925 /nfs/dbraw/zinc/30/39/25/176303925.db2.gz DKALRPOWYMYESM-CYBMUJFWSA-N 1 0 277.324 1.477 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH2+]C[C@H]1C ZINC000077005328 177142264 /nfs/dbraw/zinc/14/22/64/177142264.db2.gz GPDLIZDALDWIBY-LLVKDONJSA-N 1 0 292.339 1.135 20 5 CDBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000078542601 177351784 /nfs/dbraw/zinc/35/17/84/177351784.db2.gz VRMNWWWQXXRLOC-NSHDSACASA-N 1 0 250.302 1.742 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261719617 292585829 /nfs/dbraw/zinc/58/58/29/292585829.db2.gz PXVNDQKRQIQHFZ-ZDUSSCGKSA-N 1 0 290.367 1.387 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417938187 227238696 /nfs/dbraw/zinc/23/86/96/227238696.db2.gz JALIZGMXPNYODM-SNVBAGLBSA-N 1 0 280.328 1.174 20 5 CDBDRO C[NH+](C)CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000517993298 260332723 /nfs/dbraw/zinc/33/27/23/260332723.db2.gz CGECWVWGLWUJNX-UHFFFAOYSA-N 1 0 295.295 1.005 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000516568390 270479874 /nfs/dbraw/zinc/47/98/74/270479874.db2.gz AOYPEOOSIDEKBD-NSHDSACASA-N 1 0 294.355 1.884 20 5 CDBDRO CS[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)C[C@H]1[NH+](C)C ZINC000297641675 274183310 /nfs/dbraw/zinc/18/33/10/274183310.db2.gz XVJMUFLMKPBSPM-GHMZBOCLSA-N 1 0 297.384 1.175 20 5 CDBDRO CS[C@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)C[C@@H]1[NH+](C)C ZINC000297641709 274187557 /nfs/dbraw/zinc/18/75/57/274187557.db2.gz XVJMUFLMKPBSPM-QWRGUYRKSA-N 1 0 297.384 1.175 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000192055417 274236936 /nfs/dbraw/zinc/23/69/36/274236936.db2.gz AIAWIXLNWYLOGQ-RKDXNWHRSA-N 1 0 263.297 1.467 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H]1C[NH3+] ZINC000070176312 274289055 /nfs/dbraw/zinc/28/90/55/274289055.db2.gz KZXZVUNTYHMAFD-KCJUWKMLSA-N 1 0 266.301 1.122 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H]1C[NH3+] ZINC000070176424 274289522 /nfs/dbraw/zinc/28/95/22/274289522.db2.gz VJICFSIAXPQESA-BDAKNGLRSA-N 1 0 267.285 1.387 20 5 CDBDRO C[C@@H]1C[N@H+](C)C[C@@H]1c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000361251900 274337962 /nfs/dbraw/zinc/33/79/62/274337962.db2.gz NOOGCBFSOWJYAV-SFYZADRCSA-N 1 0 292.299 1.043 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]1 ZINC000423232136 274498795 /nfs/dbraw/zinc/49/87/95/274498795.db2.gz HNGPYCRAJLXHCP-DGCLKSJQSA-N 1 0 263.341 1.867 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261599392 274724269 /nfs/dbraw/zinc/72/42/69/274724269.db2.gz PNTXMNJBKFQZIB-QWRGUYRKSA-N 1 0 262.313 1.344 20 5 CDBDRO Cc1nc(N2CC[C@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000226720319 274842283 /nfs/dbraw/zinc/84/22/83/274842283.db2.gz PXMHRVJNYPCZDL-WPRPVWTQSA-N 1 0 250.302 1.472 20 5 CDBDRO CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[NH+](C)C ZINC000285744829 275596366 /nfs/dbraw/zinc/59/63/66/275596366.db2.gz YJCZDAMHVYCVKE-SECBINFHSA-N 1 0 283.332 1.024 20 5 CDBDRO CN(c1ncc([N+](=O)[O-])s1)[C@@H]1CCC[N@H+](C)C1 ZINC000190330830 277004409 /nfs/dbraw/zinc/00/44/09/277004409.db2.gz VCZMIEMBIMASSG-MRVPVSSYSA-N 1 0 256.331 1.582 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)[C@@H]2C1 ZINC000272557594 277144162 /nfs/dbraw/zinc/14/41/62/277144162.db2.gz TZYRPQQLIUYGFE-NXEZZACHSA-N 1 0 279.296 1.354 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000430559779 277278739 /nfs/dbraw/zinc/27/87/39/277278739.db2.gz YAGZOKXSEJODSF-JTQLQIEISA-N 1 0 267.304 1.918 20 5 CDBDRO C[NH2+][C@H]1CCCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000053204863 277300455 /nfs/dbraw/zinc/30/04/55/277300455.db2.gz MJZOKMFHTOGVGA-QMMMGPOBSA-N 1 0 281.341 1.492 20 5 CDBDRO COc1cc(N2CCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000132002955 277825440 /nfs/dbraw/zinc/82/54/40/277825440.db2.gz NTWNZDZVBZHLLN-JTQLQIEISA-N 1 0 251.286 1.531 20 5 CDBDRO C[C@@H](C[C@@H]1COCCN1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422796927 278294422 /nfs/dbraw/zinc/29/44/22/278294422.db2.gz ZLQIDIBIPGEYBT-GXTWGEPZSA-N 1 0 293.367 1.494 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H]1COCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000038060763 278352345 /nfs/dbraw/zinc/35/23/45/278352345.db2.gz MMMTUPBFIZYHSZ-ZWNOBZJWSA-N 1 0 266.297 1.661 20 5 CDBDRO C[C@H](CC(N)=O)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447582010 279250166 /nfs/dbraw/zinc/25/01/66/279250166.db2.gz XCDUDEHXPRTEHH-GMTAPVOTSA-N 1 0 295.343 1.129 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111010330 279320214 /nfs/dbraw/zinc/32/02/14/279320214.db2.gz RBLRCSMKZVTMGL-ZETCQYMHSA-N 1 0 271.704 1.715 20 5 CDBDRO C[C@H](O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192588383 279577823 /nfs/dbraw/zinc/57/78/23/279577823.db2.gz VULJCSLTMYFXLP-TVQRCGJNSA-N 1 0 250.298 1.943 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000235343950 280126730 /nfs/dbraw/zinc/12/67/30/280126730.db2.gz MQCFHAMUHIJPNM-KOIHBYQTSA-N 1 0 275.308 1.414 20 5 CDBDRO [NH3+][C@@H](CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000238017074 280196763 /nfs/dbraw/zinc/19/67/63/280196763.db2.gz KBFBSCSSNDRBBU-FUEXJSSKSA-N 1 0 293.298 1.601 20 5 CDBDRO C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000245411383 280205922 /nfs/dbraw/zinc/20/59/22/280205922.db2.gz WPZCBYKHWNVUAN-MNOVXSKESA-N 1 0 252.318 1.912 20 5 CDBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000527307952 281123233 /nfs/dbraw/zinc/12/32/33/281123233.db2.gz APQRCMKYKPNAJV-UHFFFAOYSA-N 1 0 296.371 1.737 20 5 CDBDRO Cc1ccnc(N2CC[NH+](CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000071030775 281457921 /nfs/dbraw/zinc/45/79/21/281457921.db2.gz UCJPLEJYOAZOGX-UHFFFAOYSA-N 1 0 294.355 1.191 20 5 CDBDRO COCCCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000554525959 290170645 /nfs/dbraw/zinc/17/06/45/290170645.db2.gz XZGFUJHJGDNROH-UHFFFAOYSA-N 1 0 295.339 1.940 20 5 CDBDRO COc1ccc(CC(=O)N(C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000564656720 293388117 /nfs/dbraw/zinc/38/81/17/293388117.db2.gz XCFOKUSZJLTJJO-UHFFFAOYSA-N 1 0 293.323 1.094 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCCC[NH2+]C1CC1 ZINC000573849082 294899092 /nfs/dbraw/zinc/89/90/92/294899092.db2.gz ONVYCJGJMUHENY-UHFFFAOYSA-N 1 0 291.351 1.786 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000089107521 295248352 /nfs/dbraw/zinc/24/83/52/295248352.db2.gz BSSXGHPKBQWTKB-CABZTGNLSA-N 1 0 295.314 1.981 20 5 CDBDRO COc1cccc(N2CC[C@@H]([NH3+])[C@H](C)C2)c1[N+](=O)[O-] ZINC000252851875 295305994 /nfs/dbraw/zinc/30/59/94/295305994.db2.gz FXKHBIPYBYSVEM-NXEZZACHSA-N 1 0 265.313 1.777 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000564187023 316430739 /nfs/dbraw/zinc/43/07/39/316430739.db2.gz BYJQXSGAUPICED-JTQLQIEISA-N 1 0 266.301 1.131 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000577194213 317284057 /nfs/dbraw/zinc/28/40/57/317284057.db2.gz FPJQGILPJKNLED-LLVKDONJSA-N 1 0 264.329 1.829 20 5 CDBDRO CN(CCC[NH3+])C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000577482582 317337787 /nfs/dbraw/zinc/33/77/87/317337787.db2.gz HXGGIVKESRYUEO-UHFFFAOYSA-N 1 0 270.264 1.546 20 5 CDBDRO CC(C)[NH2+][C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000577646132 317376182 /nfs/dbraw/zinc/37/61/82/317376182.db2.gz FVZBECVSMHANCB-LLVKDONJSA-N 1 0 277.280 1.225 20 5 CDBDRO COCC(C)(C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181726137 323246140 /nfs/dbraw/zinc/24/61/40/323246140.db2.gz OKFMXJBBJXAREP-LLVKDONJSA-N 1 0 298.339 1.349 20 5 CDBDRO CCC1(CC)[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C[C@@H]1OC ZINC000182037076 323259034 /nfs/dbraw/zinc/25/90/34/323259034.db2.gz ZGAHNTZUBWDCCO-STQMWFEESA-N 1 0 296.371 1.975 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000382471739 323643196 /nfs/dbraw/zinc/64/31/96/323643196.db2.gz QJTJUWXPZIIUMD-GXSJLCMTSA-N 1 0 278.312 1.986 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000579812119 324286424 /nfs/dbraw/zinc/28/64/24/324286424.db2.gz SICPBNNYIVNKPW-UHFFFAOYSA-N 1 0 294.355 1.912 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000582904051 325066882 /nfs/dbraw/zinc/06/68/82/325066882.db2.gz WKBNWSFJDQZJJE-UHFFFAOYSA-N 1 0 279.340 1.941 20 5 CDBDRO COc1cc(C(=O)N(C)[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1C ZINC000583198585 325125802 /nfs/dbraw/zinc/12/58/02/325125802.db2.gz PFTAZFNPIRUNCS-LLVKDONJSA-N 1 0 293.323 1.346 20 5 CDBDRO CSC[C@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000584167753 327054951 /nfs/dbraw/zinc/05/49/51/327054951.db2.gz FRQHAAXYMSJGSN-GFCCVEGCSA-N 1 0 270.354 1.451 20 5 CDBDRO Cc1ccc(C[NH2+]C2(C(N)=O)CCOCC2)cc1[N+](=O)[O-] ZINC000789557848 1162095415 /nfs/dbraw/zinc/09/54/15/1162095415.db2.gz OYCBHVJPEJWMNQ-UHFFFAOYSA-N 1 0 293.323 1.027 20 5 CDBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000050708951 520733980 /nfs/dbraw/zinc/73/39/80/520733980.db2.gz UKHQVRNERPNGRH-JTQLQIEISA-N 1 0 294.355 1.637 20 5 CDBDRO CC[N@H+](CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C)C(C)C ZINC000112928166 521068493 /nfs/dbraw/zinc/06/84/93/521068493.db2.gz IODDASMZKRCNDL-UHFFFAOYSA-N 1 0 297.359 1.097 20 5 CDBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](O)COC)cc1[N+](=O)[O-] ZINC000153857036 521257171 /nfs/dbraw/zinc/25/71/71/521257171.db2.gz RFXVBXQSBOKIPR-JQWIXIFHSA-N 1 0 298.339 1.651 20 5 CDBDRO CCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000050709030 521655356 /nfs/dbraw/zinc/65/53/56/521655356.db2.gz LIDIHBYQOWZKPS-UHFFFAOYSA-N 1 0 294.355 1.591 20 5 CDBDRO COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000234912584 522095806 /nfs/dbraw/zinc/09/58/06/522095806.db2.gz WFNRZDNYVBOFPE-PSASIEDQSA-N 1 0 279.296 1.023 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000161505982 523121312 /nfs/dbraw/zinc/12/13/12/523121312.db2.gz JMUYVUAKEIKWLN-SNVBAGLBSA-N 1 0 292.339 1.343 20 5 CDBDRO COCCN(C)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000061378713 523603348 /nfs/dbraw/zinc/60/33/48/523603348.db2.gz UTSUIFNCIXRQSC-UHFFFAOYSA-N 1 0 281.356 1.305 20 5 CDBDRO COc1ccc(C[NH2+]C2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000069246882 524068814 /nfs/dbraw/zinc/06/88/14/524068814.db2.gz YHGFGVYGMLHPAW-UHFFFAOYSA-N 1 0 296.323 1.235 20 5 CDBDRO C[C@@H](CN1CCOCC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000049504676 524628924 /nfs/dbraw/zinc/62/89/24/524628924.db2.gz VAGGTPHMBIFMOS-ZDUSSCGKSA-N 1 0 293.367 1.448 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)C(C)C ZINC000338421985 525456213 /nfs/dbraw/zinc/45/62/13/525456213.db2.gz FRDYJHCDWPOAHI-UHFFFAOYSA-N 1 0 295.339 1.673 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@@H](C)[NH3+] ZINC000063169914 525560461 /nfs/dbraw/zinc/56/04/61/525560461.db2.gz BVHLSFLXOKXLFH-SECBINFHSA-N 1 0 251.286 1.370 20 5 CDBDRO C[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]C1 ZINC000050164001 525661640 /nfs/dbraw/zinc/66/16/40/525661640.db2.gz SUDVBNCJAFNVPY-VHSXEESVSA-N 1 0 250.302 1.790 20 5 CDBDRO Cc1c(NC(=O)[C@@H](C)N2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000226409827 525851110 /nfs/dbraw/zinc/85/11/10/525851110.db2.gz DFXPAVQTVXEZSM-LLVKDONJSA-N 1 0 292.339 1.135 20 5 CDBDRO Cn1c(C(=O)NCC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000337634027 527042908 /nfs/dbraw/zinc/04/29/08/527042908.db2.gz XHPSITMLBUVXTF-UHFFFAOYSA-N 1 0 280.328 1.005 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373879084 527312869 /nfs/dbraw/zinc/31/28/69/527312869.db2.gz BCEUTSBRIWQXAZ-GWCFXTLKSA-N 1 0 290.323 1.122 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000415048308 534985279 /nfs/dbraw/zinc/98/52/79/534985279.db2.gz XCUBTFWFEBCOMN-SECBINFHSA-N 1 0 255.343 1.886 20 5 CDBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000305425849 535320120 /nfs/dbraw/zinc/32/01/20/535320120.db2.gz BMVUWOZWUINWOU-JTQLQIEISA-N 1 0 268.317 1.027 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH2+]C)c1 ZINC000422731876 535427510 /nfs/dbraw/zinc/42/75/10/535427510.db2.gz MTFVVSZRXUYQIG-UHFFFAOYSA-N 1 0 281.312 1.333 20 5 CDBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccc([N+](=O)[O-])cc2OC)n1 ZINC000414644366 536346630 /nfs/dbraw/zinc/34/66/30/536346630.db2.gz MHADKFNDJQTDFH-QMMMGPOBSA-N 1 0 292.295 1.804 20 5 CDBDRO C[NH2+][C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261572120 536376224 /nfs/dbraw/zinc/37/62/24/536376224.db2.gz LLEVDXHPOOBBFJ-SNVBAGLBSA-N 1 0 253.277 1.528 20 5 CDBDRO C[NH2+][C@H](C)CN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423393354 536403966 /nfs/dbraw/zinc/40/39/66/536403966.db2.gz PCBWSEICUVDGHB-WDEREUQCSA-N 1 0 251.330 1.723 20 5 CDBDRO CN1CC[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000729681472 574820580 /nfs/dbraw/zinc/82/05/80/574820580.db2.gz DIBRGHWCQSRASG-NSHDSACASA-N 1 0 293.323 1.160 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](CCO)C1CC1 ZINC000741258538 575000343 /nfs/dbraw/zinc/00/03/43/575000343.db2.gz NTFOLRHEMDBQAO-GFCCVEGCSA-N 1 0 250.298 1.845 20 5 CDBDRO Cc1nn(C[N@H+]2CC[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749949545 576969543 /nfs/dbraw/zinc/96/95/43/576969543.db2.gz XGIGUBAEVNXSQU-SECBINFHSA-N 1 0 275.312 1.947 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2CCOCC2)cc1 ZINC000134599397 617256934 /nfs/dbraw/zinc/25/69/34/617256934.db2.gz LCJNWZORJLMMMW-AWEZNQCLSA-N 1 0 280.324 1.644 20 5 CDBDRO CC[NH+](CC)CCOCCNc1c([N+](=O)[O-])cnn1C ZINC000893157604 617418027 /nfs/dbraw/zinc/41/80/27/617418027.db2.gz WOFLNASUPFEVHC-UHFFFAOYSA-N 1 0 285.348 1.099 20 5 CDBDRO COCC1([NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000893167047 617431598 /nfs/dbraw/zinc/43/15/98/617431598.db2.gz FXXRNRBVEOMSTI-UHFFFAOYSA-N 1 0 282.296 1.578 20 5 CDBDRO CC(=O)OC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000893327296 617579522 /nfs/dbraw/zinc/57/95/22/617579522.db2.gz AKNLDJSBBAWZAL-SECBINFHSA-N 1 0 252.270 1.636 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000891781378 617585775 /nfs/dbraw/zinc/58/57/75/617585775.db2.gz IEIPZDCJSHHBFG-JTQLQIEISA-N 1 0 292.339 1.895 20 5 CDBDRO C[C@@]1(NC(=O)c2cccc([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC000892802057 617768613 /nfs/dbraw/zinc/76/86/13/617768613.db2.gz TUNHQPOPHZFXFW-OAHLLOKOSA-N 1 0 289.335 1.809 20 5 CDBDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000922590280 618273737 /nfs/dbraw/zinc/27/37/37/618273737.db2.gz IFSXBNOPAJRMFK-CQSZACIVSA-N 1 0 293.367 1.795 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N(C)C[C@@H]1CCC[N@@H+]1C ZINC000894250707 618756538 /nfs/dbraw/zinc/75/65/38/618756538.db2.gz AXYGHOBCIBXMDP-JTQLQIEISA-N 1 0 280.328 1.529 20 5 CDBDRO Cc1c(C[NH2+]C[C@@H]2COCO2)cccc1[N+](=O)[O-] ZINC000894888987 619124435 /nfs/dbraw/zinc/12/44/35/619124435.db2.gz MSRYQATUECJGKA-LLVKDONJSA-N 1 0 252.270 1.366 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[NH+](C)C)c1C ZINC000896821203 620241278 /nfs/dbraw/zinc/24/12/78/620241278.db2.gz OZLLMTJPBMMBOX-UHFFFAOYSA-N 1 0 279.340 1.845 20 5 CDBDRO CN1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000147659581 620852570 /nfs/dbraw/zinc/85/25/70/620852570.db2.gz IPACLLWKGOCUCL-CQSZACIVSA-N 1 0 279.340 1.312 20 5 CDBDRO CCOC(=O)c1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000899873769 622499366 /nfs/dbraw/zinc/49/93/66/622499366.db2.gz UAYBXMYDZMBRGR-UHFFFAOYSA-N 1 0 252.270 1.230 20 5 CDBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCC[N+](=O)[O-])C1 ZINC000899873987 622500351 /nfs/dbraw/zinc/50/03/51/622500351.db2.gz XAIXMSPGGFDYNE-OCCSQVGLSA-N 1 0 263.341 1.688 20 5 CDBDRO O=[N+]([O-])CCNC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000905074991 626618188 /nfs/dbraw/zinc/61/81/88/626618188.db2.gz HTSDLRXBCAJOCB-GFCCVEGCSA-N 1 0 283.397 1.826 20 5 CDBDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905194262 626670571 /nfs/dbraw/zinc/67/05/71/626670571.db2.gz ISSVDZNVJGXRDR-CABZTGNLSA-N 1 0 256.277 1.768 20 5 CDBDRO O=[N+]([O-])CCNc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000905312685 626743491 /nfs/dbraw/zinc/74/34/91/626743491.db2.gz GJEGCLVOPRYDIY-UHFFFAOYSA-N 1 0 279.340 1.250 20 5 CDBDRO C[N@@H+]1CC[C@H]1CNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000905651362 626900203 /nfs/dbraw/zinc/90/02/03/626900203.db2.gz NBOAQHOBJICWBH-NSHDSACASA-N 1 0 280.353 1.585 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC[C@H](O)C2CC2)cc1 ZINC000905690583 626918205 /nfs/dbraw/zinc/91/82/05/626918205.db2.gz GOHHILPLVIDCKW-KBPBESRZSA-N 1 0 280.324 1.379 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@@H]1C ZINC000911724987 629442155 /nfs/dbraw/zinc/44/21/55/629442155.db2.gz PJARWEVAHCZSHU-VIFPVBQESA-N 1 0 295.364 1.751 20 5 CDBDRO CC[C@H](CO)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000915875618 631850161 /nfs/dbraw/zinc/85/01/61/631850161.db2.gz ULHKWQMQOFALRK-NXEZZACHSA-N 1 0 281.312 1.282 20 5 CDBDRO CC[C@@H](CO)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000916570803 632017318 /nfs/dbraw/zinc/01/73/18/632017318.db2.gz WAQKLZJDIVQIHH-JTQLQIEISA-N 1 0 281.312 1.202 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000917082906 632144002 /nfs/dbraw/zinc/14/40/02/632144002.db2.gz YBQPNAYKFNIUAP-MRVPVSSYSA-N 1 0 271.704 1.504 20 5 CDBDRO CCc1nn(C)c(NC[C@]2(C)CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000129287976 1158969473 /nfs/dbraw/zinc/96/94/73/1158969473.db2.gz IWVAMZWOVLUNDU-CYBMUJFWSA-N 1 0 281.360 1.692 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@@H]([NH3+])[C@H]2C)n1 ZINC001157731971 1162360855 /nfs/dbraw/zinc/36/08/55/1162360855.db2.gz HQHHCKHJGAFANG-HTRCEHHLSA-N 1 0 285.735 1.663 20 5 CDBDRO [NH3+]Cc1cnn(-c2c(Cl)nccc2[N+](=O)[O-])c1 ZINC001168257230 1160563018 /nfs/dbraw/zinc/56/30/18/1160563018.db2.gz QJMHPOBUOUJWSY-UHFFFAOYSA-N 1 0 253.649 1.288 20 5 CDBDRO CC[C@@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251665139 1160571055 /nfs/dbraw/zinc/57/10/55/1160571055.db2.gz HFSSUBQSFVYZDP-VXGBXAGGSA-N 1 0 281.360 1.159 20 5 CDBDRO COC(=O)c1ncc2n1CCC[C@@H]2OCC[N+](C)(C)C ZINC001224773224 1160873444 /nfs/dbraw/zinc/87/34/44/1160873444.db2.gz GVFPOGARNNRURF-LBPRGKRZSA-N 1 0 282.364 1.227 20 5 CDBDRO [NH3+]Cc1nnnn1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001168924120 1161993378 /nfs/dbraw/zinc/99/33/78/1161993378.db2.gz IZVKSTJYCKGEKT-UHFFFAOYSA-N 1 0 296.290 1.696 20 5 CDBDRO Cc1cnc(CC[NH3+])n1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967500 1161996051 /nfs/dbraw/zinc/99/60/51/1161996051.db2.gz QFFCBAWLHYUNRX-WDEREUQCSA-N 1 0 252.318 1.311 20 5 CDBDRO C[C@]1(O)CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000791632750 1162238379 /nfs/dbraw/zinc/23/83/79/1162238379.db2.gz RDRVAZGHNFOKAN-GJZGRUSLSA-N 1 0 294.351 1.865 20 5 CDBDRO C[C@H](O)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866212772 1164752242 /nfs/dbraw/zinc/75/22/42/1164752242.db2.gz VJOPEMVNNCNICB-IUCAKERBSA-N 1 0 256.277 1.635 20 5 CDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](O)C1 ZINC000866368791 1164774512 /nfs/dbraw/zinc/77/45/12/1164774512.db2.gz HBKBDQIFSXREEM-FXAINCCUSA-N 1 0 268.288 1.778 20 5 CDBDRO C[C@@]([NH3+])(C(=O)NCC1(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000867953163 1164886210 /nfs/dbraw/zinc/88/62/10/1164886210.db2.gz OZURSLJTFZFPFA-AWEZNQCLSA-N 1 0 277.324 1.685 20 5 CDBDRO C[C@@H]1C[C@@H]1CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870865642 1165224276 /nfs/dbraw/zinc/22/42/76/1165224276.db2.gz AURGIUIJBLTOLF-GPCCPHFNSA-N 1 0 277.324 1.541 20 5 CDBDRO [NH3+][C@H](CC(=O)NCCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000825985288 1166066599 /nfs/dbraw/zinc/06/65/99/1166066599.db2.gz GBQXLKHRDJYYRD-LLVKDONJSA-N 1 0 292.339 1.250 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)C1CC1 ZINC000797521586 1167010784 /nfs/dbraw/zinc/01/07/84/1167010784.db2.gz XJTAJLUFECBWDC-LBPRGKRZSA-N 1 0 266.297 1.464 20 5 CDBDRO CN(C)c1ccc(COC(=O)C2(C)C[NH2+]C2)cc1[N+](=O)[O-] ZINC001578426182 1171908393 /nfs/dbraw/zinc/90/83/93/1171908393.db2.gz XNLBEHXJSIHCKS-UHFFFAOYSA-N 1 0 293.323 1.314 20 5 CDBDRO CO[C@H]1C[NH2+][C@](C)(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC001578948895 1172058076 /nfs/dbraw/zinc/05/80/76/1172058076.db2.gz QRGNJULIGJRICX-RISCZKNCSA-N 1 0 293.323 1.609 20 5 CDBDRO COc1ccc(NC(=O)N2C[C@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001579229144 1172121177 /nfs/dbraw/zinc/12/11/77/1172121177.db2.gz RUVARQSCGUJVNC-DTWKUNHWSA-N 1 0 294.311 1.557 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC001579577698 1172216637 /nfs/dbraw/zinc/21/66/37/1172216637.db2.gz ZVSXVBUOGDCXFU-SMDDNHRTSA-N 1 0 289.335 1.646 20 5 CDBDRO Cc1cc(NC(=O)NC[C@H](C)C[NH3+])cc([N+](=O)[O-])c1 ZINC001579631002 1172229332 /nfs/dbraw/zinc/22/93/32/1172229332.db2.gz COFZWGSQMUTDCE-SECBINFHSA-N 1 0 266.301 1.620 20 5 CDBDRO Nc1ccc(C(=O)N(C2CCC2)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC001580440005 1172435873 /nfs/dbraw/zinc/43/58/73/1172435873.db2.gz ZQTWXOCFNIRUBG-UHFFFAOYSA-N 1 0 290.323 1.144 20 5 CDBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCCC1 ZINC001593466402 1174079649 /nfs/dbraw/zinc/07/96/49/1174079649.db2.gz AUPCMDQOXPFJQE-UHFFFAOYSA-N 1 0 274.284 1.371 20 5 CDBDRO C[N@H+](CCO)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000124799379 1175335616 /nfs/dbraw/zinc/33/56/16/1175335616.db2.gz PGYJCBPTHXACSW-UHFFFAOYSA-N 1 0 254.286 1.288 20 5 CDBDRO COCC[NH2+]CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000215529784 1177405228 /nfs/dbraw/zinc/40/52/28/1177405228.db2.gz BGZUWWWPLUNVDH-UHFFFAOYSA-N 1 0 274.708 1.291 20 5 CDBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000165978375 1181058489 /nfs/dbraw/zinc/05/84/89/1181058489.db2.gz AXLQRXCAEXPAAL-MRVPVSSYSA-N 1 0 267.260 1.073 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(N[C@H]([NH3+])CCC[NH3+])c1F ZINC001170902156 1164192591 /nfs/dbraw/zinc/19/25/91/1164192591.db2.gz BOYXGNZHYBUACX-JTQLQIEISA-N 1 0 256.281 1.478 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cc(N)c([N+](=O)[O-])cn1 ZINC001164636399 719211516 /nfs/dbraw/zinc/21/15/16/719211516.db2.gz KBWPSNJQIVFTTR-DTWKUNHWSA-N 1 0 265.317 1.101 20 5 CDBDRO C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)[C@@H](C)C[N@@H+]1C ZINC001164636397 719211916 /nfs/dbraw/zinc/21/19/16/719211916.db2.gz KBWPSNJQIVFTTR-BDAKNGLRSA-N 1 0 265.317 1.101 20 5 CDBDRO CC(C)C[NH+]1CCN(c2cc([N+](=O)[O-])ccn2)CC1 ZINC001164651765 719328681 /nfs/dbraw/zinc/32/86/81/719328681.db2.gz HMDLAPICXYDDOX-UHFFFAOYSA-N 1 0 264.329 1.768 20 5 CDBDRO CCCn1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000865450513 1164649209 /nfs/dbraw/zinc/64/92/09/1164649209.db2.gz CLUHWWZBIALSBO-UHFFFAOYSA-N 1 0 289.339 1.929 20 5 CDBDRO C[NH+](C)C[C@H](O)CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000717402209 811813326 /nfs/dbraw/zinc/81/33/26/811813326.db2.gz QCWFSTBHVGSAJW-SECBINFHSA-N 1 0 273.720 1.583 20 5 CDBDRO CC(C)(CO)[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000886217631 805027900 /nfs/dbraw/zinc/02/79/00/805027900.db2.gz DMDUGYRUZMAKKQ-LBPRGKRZSA-N 1 0 279.340 1.877 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886571772 805057152 /nfs/dbraw/zinc/05/71/52/805057152.db2.gz IEFKKXDTAWGEJI-PHIMTYICSA-N 1 0 265.338 1.785 20 5 CDBDRO CN(CC[NH+]1CCCC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581929 805198273 /nfs/dbraw/zinc/19/82/73/805198273.db2.gz JHYNAZINSUNKOH-OAHLLOKOSA-N 1 0 293.367 1.656 20 5 CDBDRO C[C@@H]([NH3+])CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810255 805215726 /nfs/dbraw/zinc/21/57/26/805215726.db2.gz WHXBXXZUOJQASI-SECBINFHSA-N 1 0 251.286 1.291 20 5 CDBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000933249475 805236659 /nfs/dbraw/zinc/23/66/59/805236659.db2.gz HBUBMNFZOPNCAW-CYBMUJFWSA-N 1 0 295.387 1.453 20 5 CDBDRO C[C@@H](C[NH3+])c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000822861627 805299053 /nfs/dbraw/zinc/29/90/53/805299053.db2.gz CWBIINRMRGKSDB-ZETCQYMHSA-N 1 0 263.257 1.026 20 5 CDBDRO COCC[N@H+](CCO)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876683569 811201165 /nfs/dbraw/zinc/20/11/65/811201165.db2.gz VLQZAYZSZDEYPU-UHFFFAOYSA-N 1 0 282.340 1.652 20 5 CDBDRO Cc1c(C[NH2+][C@@H]2CCCCNC2=O)cccc1[N+](=O)[O-] ZINC000231885436 811347059 /nfs/dbraw/zinc/34/70/59/811347059.db2.gz GSGCVYAHQGDGFK-GFCCVEGCSA-N 1 0 277.324 1.662 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2C[C@H](O)C2)n1 ZINC000872126460 811557692 /nfs/dbraw/zinc/55/76/92/811557692.db2.gz NWQGBJAICBFGRG-FDYHWXHSSA-N 1 0 294.355 1.636 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000111301928 811623528 /nfs/dbraw/zinc/62/35/28/811623528.db2.gz CIKPGUKDRIFZTN-LURJTMIESA-N 1 0 257.677 1.325 20 5 CDBDRO CC(=O)c1ccc(N2C[C@@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000858632323 811818243 /nfs/dbraw/zinc/81/82/43/811818243.db2.gz OCUVVIFGRAYTIH-AOOOYVTPSA-N 1 0 277.324 1.984 20 5 CDBDRO COc1cc([C@@H](C)[NH2+]CC[N+](=O)[O-])cc(OC)c1OC ZINC000930198746 812016538 /nfs/dbraw/zinc/01/65/38/812016538.db2.gz OIFNBTJSQIRFPQ-SECBINFHSA-N 1 0 284.312 1.640 20 5 CDBDRO C[C@@H]1CN(CCNc2ccc(N)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000853799884 812049677 /nfs/dbraw/zinc/04/96/77/812049677.db2.gz OWTUFKNTHBYPGE-GHMZBOCLSA-N 1 0 294.355 1.698 20 5 CDBDRO C[N@H+](CCCCNC(=O)CCC(C)(C)[N+](=O)[O-])C1CC1 ZINC000837227458 812088333 /nfs/dbraw/zinc/08/83/33/812088333.db2.gz XCLACEJRMODUOL-UHFFFAOYSA-N 1 0 285.388 1.813 20 5 CDBDRO Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000049956542 812106423 /nfs/dbraw/zinc/10/64/23/812106423.db2.gz PVPCEFRBDUZLBU-UHFFFAOYSA-N 1 0 278.312 1.003 20 5 CDBDRO O=[N+]([O-])c1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c(F)c1 ZINC000107571791 812161916 /nfs/dbraw/zinc/16/19/16/812161916.db2.gz WQHIKBCVZIFZKF-RKDXNWHRSA-N 1 0 251.261 1.390 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000882958592 812174235 /nfs/dbraw/zinc/17/42/35/812174235.db2.gz FJMMFYWDVAVMHZ-JTQLQIEISA-N 1 0 283.303 1.732 20 5 CDBDRO Cc1ccnc(NCC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000166833174 812549774 /nfs/dbraw/zinc/54/97/74/812549774.db2.gz CWLCHNIBOQQUJE-SNVBAGLBSA-N 1 0 250.302 1.852 20 5 CDBDRO C[C@H](CC(N)=O)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788631841 812694836 /nfs/dbraw/zinc/69/48/36/812694836.db2.gz OBORSKGQCMSTAN-HTQZYQBOSA-N 1 0 266.301 1.092 20 5 CDBDRO Nc1ccc([N+](=O)[O-])c(N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000800846671 812763846 /nfs/dbraw/zinc/76/38/46/812763846.db2.gz UFOXMECWFBSDIV-UHFFFAOYSA-N 1 0 299.334 1.899 20 5 CDBDRO CC[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000923343377 812814241 /nfs/dbraw/zinc/81/42/41/812814241.db2.gz AJWXSPIJUVTDMC-DFBGVHRSSA-N 1 0 293.367 1.687 20 5 CDBDRO CO[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591219 812840189 /nfs/dbraw/zinc/84/01/89/812840189.db2.gz HTZOENVAZMZTLF-CHWSQXEVSA-N 1 0 266.297 1.349 20 5 CDBDRO CC[C@@](C)(CC(=O)OC)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000878270192 812860973 /nfs/dbraw/zinc/86/09/73/812860973.db2.gz WFCMEDXFHSSGOT-ZDUSSCGKSA-N 1 0 298.343 1.421 20 5 CDBDRO [NH3+][C@H]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000261583955 812948708 /nfs/dbraw/zinc/94/87/08/812948708.db2.gz HONYWMJJIDEVCD-ZETCQYMHSA-N 1 0 279.325 1.527 20 5 CDBDRO CO[C@H](C)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819001404 813069479 /nfs/dbraw/zinc/06/94/79/813069479.db2.gz MQFLSIFVVOKIGR-ZWNOBZJWSA-N 1 0 268.313 1.643 20 5 CDBDRO CC(C)CC[C@@H](N)c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000863669927 813292143 /nfs/dbraw/zinc/29/21/43/813292143.db2.gz GXTLVLCJKKMROS-MRVPVSSYSA-N 1 0 294.315 1.814 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000931282744 813322267 /nfs/dbraw/zinc/32/22/67/813322267.db2.gz XWSKFKFSQXFYRQ-WDNDVIMCSA-N 1 0 261.325 1.587 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@]3(CO)CCC[C@@H]23)c1 ZINC000886626845 813335133 /nfs/dbraw/zinc/33/51/33/813335133.db2.gz MICAQOGKAUMGBS-CHWSQXEVSA-N 1 0 280.328 1.028 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CC[N+](=O)[O-] ZINC000791052473 813354815 /nfs/dbraw/zinc/35/48/15/813354815.db2.gz OGKVSBUJWXVUPT-CQSZACIVSA-N 1 0 277.368 1.860 20 5 CDBDRO Cc1nc[nH]c1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801913968 813548876 /nfs/dbraw/zinc/54/88/76/813548876.db2.gz PXYSDVIAOZJKAG-UHFFFAOYSA-N 1 0 293.258 1.278 20 5 CDBDRO Cc1c(C(=O)N[C@@H](C)CC[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000834453021 813691046 /nfs/dbraw/zinc/69/10/46/813691046.db2.gz MQVGSTNXHBRBIZ-ZETCQYMHSA-N 1 0 296.283 1.279 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000852921207 813760848 /nfs/dbraw/zinc/76/08/48/813760848.db2.gz JXFFCIDJRLGJPG-QMMMGPOBSA-N 1 0 269.276 1.380 20 5 CDBDRO CCOCC[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776606464 813774276 /nfs/dbraw/zinc/77/42/76/813774276.db2.gz WYVUOWGQPLRBJH-CYBMUJFWSA-N 1 0 268.313 1.597 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]C2)c1C ZINC000884016346 813781676 /nfs/dbraw/zinc/78/16/76/813781676.db2.gz UDMPSPOLVJDJNK-SNVBAGLBSA-N 1 0 263.297 1.303 20 5 CDBDRO COC[C@@H]1CCCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000112961347 813808268 /nfs/dbraw/zinc/80/82/68/813808268.db2.gz VINVUEBRWHVMJC-SNVBAGLBSA-N 1 0 254.290 1.107 20 5 CDBDRO CC(C)[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001000148453 813819882 /nfs/dbraw/zinc/81/98/82/813819882.db2.gz DZUOLLSFJKRIOY-CHWSQXEVSA-N 1 0 295.383 1.421 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH3+])C2)c1C ZINC000884020538 813852495 /nfs/dbraw/zinc/85/24/95/813852495.db2.gz AYNBCDPDJMYFAH-LLVKDONJSA-N 1 0 277.324 1.632 20 5 CDBDRO CC1(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)OCCO1 ZINC000819225724 813863778 /nfs/dbraw/zinc/86/37/78/813863778.db2.gz BGYJQOGURXANKT-CYBMUJFWSA-N 1 0 296.323 1.371 20 5 CDBDRO CN1CCC[C@@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000300691604 813923813 /nfs/dbraw/zinc/92/38/13/813923813.db2.gz WUFOFISQYIWFTQ-KGLIPLIRSA-N 1 0 279.340 1.312 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[NH2+]CC2)c1C ZINC000884009108 813948247 /nfs/dbraw/zinc/94/82/47/813948247.db2.gz LVUZOSXXSVGYHP-UHFFFAOYSA-N 1 0 277.324 1.647 20 5 CDBDRO CO[C@]1(C)C[C@H](N(C)Cn2nccc2[N+](=O)[O-])C1(C)C ZINC000173545976 814642335 /nfs/dbraw/zinc/64/23/35/814642335.db2.gz NQGVRXXMPXDDQG-GXFFZTMASA-N 1 0 282.344 1.884 20 5 CDBDRO CC1(C)CN(Cc2cccnc2[N+](=O)[O-])C[C@H]1O ZINC000886179253 814749427 /nfs/dbraw/zinc/74/94/27/814749427.db2.gz QIQUTEBSFDTCBI-SNVBAGLBSA-N 1 0 251.286 1.193 20 5 CDBDRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000806140213 816814719 /nfs/dbraw/zinc/81/47/19/816814719.db2.gz HJPOHCFZVLGOEE-AQNFWKISSA-N 1 0 294.351 1.767 20 5 CDBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839561755 816877488 /nfs/dbraw/zinc/87/74/88/816877488.db2.gz XGGVCYNVOLOJMP-IJLUTSLNSA-N 1 0 271.361 1.278 20 5 CDBDRO O=C(Nc1ccccn1)[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929884038 816907848 /nfs/dbraw/zinc/90/78/48/816907848.db2.gz CJNXVDQYIDUQAG-LLVKDONJSA-N 1 0 278.312 1.009 20 5 CDBDRO COc1cc(Cc2noc(C[C@H](C)[NH3+])n2)ccc1[N+](=O)[O-] ZINC000843191778 817096600 /nfs/dbraw/zinc/09/66/00/817096600.db2.gz MOVDLCITKMNAEA-QMMMGPOBSA-N 1 0 292.295 1.467 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000886252252 817567747 /nfs/dbraw/zinc/56/77/47/817567747.db2.gz YIYRZQKOUXJRQV-GFCCVEGCSA-N 1 0 279.340 1.974 20 5 CDBDRO CC(C)([NH3+])CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000122284892 817615182 /nfs/dbraw/zinc/61/51/82/817615182.db2.gz VEOZWCACELCMGV-UHFFFAOYSA-N 1 0 255.249 1.201 20 5 CDBDRO COc1ccc(CNC(=O)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000874114337 817677159 /nfs/dbraw/zinc/67/71/59/817677159.db2.gz CDSCQVKYYANAIH-UHFFFAOYSA-N 1 0 293.323 1.315 20 5 CDBDRO C[NH+](C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1C(F)F ZINC000716679183 817697718 /nfs/dbraw/zinc/69/77/18/817697718.db2.gz NKWXGTHMGODGOL-QMMMGPOBSA-N 1 0 289.282 1.867 20 5 CDBDRO CC(C)COC[C@@H](O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015737 817836400 /nfs/dbraw/zinc/83/64/00/817836400.db2.gz FDLXJQVYFYIAOJ-ZDUSSCGKSA-N 1 0 282.340 1.718 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818015248 817844389 /nfs/dbraw/zinc/84/43/89/817844389.db2.gz MVQSWWPMTLDBJU-AWEZNQCLSA-N 1 0 275.308 1.563 20 5 CDBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(CC[N+](=O)[O-])C1 ZINC000930999785 817854264 /nfs/dbraw/zinc/85/42/64/817854264.db2.gz MUQIORICIGZDED-HNNXBMFYSA-N 1 0 277.368 1.512 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1C[C@@H]([NH3+])C1)CC2 ZINC000843495661 817855276 /nfs/dbraw/zinc/85/52/76/817855276.db2.gz VGMAXXNWBMQARR-PHIMTYICSA-N 1 0 275.308 1.530 20 5 CDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC001019915424 818002004 /nfs/dbraw/zinc/00/20/04/818002004.db2.gz WVXXISSJKVKLSI-JOCQHMNTSA-N 1 0 289.335 1.742 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)C1CC1 ZINC000797521583 1167010550 /nfs/dbraw/zinc/01/05/50/1167010550.db2.gz XJTAJLUFECBWDC-GFCCVEGCSA-N 1 0 266.297 1.464 20 5 CDBDRO Cc1cnc(N[C@@H]2COCCC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001155461017 1167178238 /nfs/dbraw/zinc/17/82/38/1167178238.db2.gz GROCQHYJNHFUPA-LLVKDONJSA-N 1 0 278.312 1.089 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC(=O)NC1 ZINC001173215395 912297409 /nfs/dbraw/zinc/29/74/09/912297409.db2.gz WCQKXKAREHYXMD-CMPLNLGQSA-N 1 0 277.324 1.394 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001173222163 912304746 /nfs/dbraw/zinc/30/47/46/912304746.db2.gz PRQYVKLUTJCPEM-KYOSRNDESA-N 1 0 294.351 1.201 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCOCC1 ZINC001173216958 912300503 /nfs/dbraw/zinc/30/05/03/912300503.db2.gz OFTLCQVDEQAYJY-CYBMUJFWSA-N 1 0 293.367 1.448 20 5 CDBDRO CO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173219076 912303376 /nfs/dbraw/zinc/30/33/76/912303376.db2.gz WPTHSFRLTXMBGB-NILFDRSVSA-N 1 0 294.351 1.919 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]1CO ZINC001173221760 912305699 /nfs/dbraw/zinc/30/56/99/912305699.db2.gz LUHRQYXRGLOQCI-SMDDNHRTSA-N 1 0 264.325 1.983 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001173220446 912306874 /nfs/dbraw/zinc/30/68/74/912306874.db2.gz ADSJXWGYIHOOQI-HONMWMINSA-N 1 0 282.315 1.931 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2C[C@H]1CN2C ZINC001173230237 912325479 /nfs/dbraw/zinc/32/54/79/912325479.db2.gz DFOPBJMORBZJQC-CQDKDKBSSA-N 1 0 275.352 1.914 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(C)C1 ZINC001173210102 912332150 /nfs/dbraw/zinc/33/21/50/912332150.db2.gz IJAVMLLXSLAKSG-AAEUAGOBSA-N 1 0 263.341 1.820 20 5 CDBDRO C[C@@](O)(C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000698675412 912680819 /nfs/dbraw/zinc/68/08/19/912680819.db2.gz LSAQAFDXLACQQW-GFCCVEGCSA-N 1 0 290.266 1.579 20 5 CDBDRO C[NH2+]Cc1c(C)nn(-c2c(C)c([N+](=O)[O-])cc[n+]2[O-])c1C ZINC001167099203 894504375 /nfs/dbraw/zinc/50/43/75/894504375.db2.gz OLJZXIAABIRLGK-UHFFFAOYSA-N 1 0 291.311 1.059 20 5 CDBDRO CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001021746797 895739699 /nfs/dbraw/zinc/73/96/99/895739699.db2.gz OHVFAGNRORYCLD-AOOOYVTPSA-N 1 0 269.326 1.413 20 5 CDBDRO [NH3+]CCc1ccn(-c2cnc(Cl)cc2[N+](=O)[O-])n1 ZINC001167727669 899449762 /nfs/dbraw/zinc/44/97/62/899449762.db2.gz AXFHBPCOINHNFF-UHFFFAOYSA-N 1 0 267.676 1.330 20 5 CDBDRO Cc1c(F)cnc(NC(=N)SCC[NH3+])c1[N+](=O)[O-] ZINC001167910452 902104607 /nfs/dbraw/zinc/10/46/07/902104607.db2.gz UEDNHXBTPBOOIL-UHFFFAOYSA-N 1 0 273.293 1.476 20 5 CDBDRO Cc1cnc(CO[C@@H]2CC[N@@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC001224182669 909207910 /nfs/dbraw/zinc/20/79/10/909207910.db2.gz KKNKOCXZYLMEQC-LLVKDONJSA-N 1 0 265.313 1.827 20 5 CDBDRO [NH3+]CCN(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000713296422 909613207 /nfs/dbraw/zinc/61/32/07/909613207.db2.gz SKZUZOOHGPDKCH-UHFFFAOYSA-N 1 0 277.246 1.918 20 5 CDBDRO C[NH+](C)CCCC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001094094515 910325381 /nfs/dbraw/zinc/32/53/81/910325381.db2.gz SSACZTGLHPWQBT-UHFFFAOYSA-N 1 0 294.355 1.465 20 5 CDBDRO N[C@@H]1COC[C@H]1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899828 912036782 /nfs/dbraw/zinc/03/67/82/912036782.db2.gz CZWLELZCEOHCDQ-BPLDGKMQSA-N 1 0 291.351 1.158 20 5 CDBDRO CC(CO)(CO)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900633 912037650 /nfs/dbraw/zinc/03/76/50/912037650.db2.gz XCBIJJJSITYCTR-CYBMUJFWSA-N 1 0 294.351 1.175 20 5 CDBDRO C[C@@H]1COC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000922641954 921722487 /nfs/dbraw/zinc/72/24/87/921722487.db2.gz SJYREFVRRVCWBK-NOZJJQNGSA-N 1 0 294.307 1.586 20 5 CDBDRO CC(C)(O)C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254567372 936407595 /nfs/dbraw/zinc/40/75/95/936407595.db2.gz NAJIJXKPMLNQNB-NSHDSACASA-N 1 0 250.298 1.423 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](Nc2cnc(F)c([N+](=O)[O-])c2)C1 ZINC001162400986 922505845 /nfs/dbraw/zinc/50/58/45/922505845.db2.gz JWUYZPALKZAOLZ-YUMQZZPRSA-N 1 0 254.265 1.811 20 5 CDBDRO CO[C@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000706580919 923069589 /nfs/dbraw/zinc/06/95/89/923069589.db2.gz AGBFVDZAJQXTKF-RAIGVLPGSA-N 1 0 266.297 1.395 20 5 CDBDRO C[NH+](C)CC(C)(C)CNc1cnc([N+](=O)[O-])cn1 ZINC001168768353 925782848 /nfs/dbraw/zinc/78/28/48/925782848.db2.gz CIAPAGXHEGNCMI-UHFFFAOYSA-N 1 0 253.306 1.385 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CO)CC2CCC2)c1 ZINC000843114627 937113409 /nfs/dbraw/zinc/11/34/09/937113409.db2.gz BAUXZNQOIPGCBS-DZGCQCFKSA-N 1 0 294.351 1.769 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1COCCO1 ZINC000850426571 927429899 /nfs/dbraw/zinc/42/98/99/927429899.db2.gz WNWXJMPLBVOAKI-JQWIXIFHSA-N 1 0 296.323 1.669 20 5 CDBDRO CON(C)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000850479646 927435900 /nfs/dbraw/zinc/43/59/00/927435900.db2.gz AUUDHTDDHUIZBL-JTQLQIEISA-N 1 0 253.302 1.739 20 5 CDBDRO Cc1c[n+]([O-])c(N(CC[NH3+])c2cccnc2)cc1[N+](=O)[O-] ZINC001168831036 927479289 /nfs/dbraw/zinc/47/92/89/927479289.db2.gz DPOMGFSUMBILQL-UHFFFAOYSA-N 1 0 289.295 1.028 20 5 CDBDRO [NH3+][C@H]1CCN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)C1 ZINC001156233355 927537285 /nfs/dbraw/zinc/53/72/85/927537285.db2.gz QNURAPQHZFIHDF-JTQLQIEISA-N 1 0 285.307 1.589 20 5 CDBDRO [NH3+]Cc1nnnn1-c1ncnc2cc3ccccc3cc21 ZINC001168920934 927542600 /nfs/dbraw/zinc/54/26/00/927542600.db2.gz MAZSWPLFNNHNNZ-UHFFFAOYSA-N 1 0 277.291 1.217 20 5 CDBDRO NC(=O)c1cccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168978302 927566291 /nfs/dbraw/zinc/56/62/91/927566291.db2.gz QZAKGRMLSGVTKT-DGCLKSJQSA-N 1 0 277.324 1.321 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C2CCCCC2)C1 ZINC001168982110 927570409 /nfs/dbraw/zinc/57/04/09/927570409.db2.gz IOHIIWUNGLGCIM-KWCYVHTRSA-N 1 0 270.373 1.963 20 5 CDBDRO COc1ccc([C@H](O)C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168983335 927571451 /nfs/dbraw/zinc/57/14/51/927571451.db2.gz JKWRJPQPVXYNFP-NJZAAPMLSA-N 1 0 294.351 1.764 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](O)C2)C1 ZINC001168985551 927575477 /nfs/dbraw/zinc/57/54/77/927575477.db2.gz STXLUGFDKNILNS-NDBYEHHHSA-N 1 0 256.346 1.573 20 5 CDBDRO CC1CCN(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168957861 927580399 /nfs/dbraw/zinc/58/03/99/927580399.db2.gz JUYQTWIDLMXTKH-KGLIPLIRSA-N 1 0 269.389 1.753 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cn3ccccc3n2)C1 ZINC001168968150 927591150 /nfs/dbraw/zinc/59/11/50/927591150.db2.gz WQKNSIFKNMUOAZ-NWDGAFQWSA-N 1 0 274.324 1.869 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3cccnn3)CC2)C1 ZINC001168973289 927596577 /nfs/dbraw/zinc/59/65/77/927596577.db2.gz NTBGAXNDHAXFBH-GHMZBOCLSA-N 1 0 262.313 1.501 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3ccccc3)COC2)C1 ZINC001168974974 927598981 /nfs/dbraw/zinc/59/89/81/927598981.db2.gz UCWXTTJZWDIVMX-TZMCWYRMSA-N 1 0 276.336 1.947 20 5 CDBDRO COC(=O)CCCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168992046 927600249 /nfs/dbraw/zinc/60/02/49/927600249.db2.gz JDTZKOVGACNJSF-QWRGUYRKSA-N 1 0 258.318 1.365 20 5 CDBDRO [NH3+]C[C@@H]1Cc2ccccc2CN1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169001060 927605925 /nfs/dbraw/zinc/60/59/25/927605925.db2.gz CQYRCZVEONCGBT-RCBQFDQVSA-N 1 0 289.379 1.817 20 5 CDBDRO NC(=O)[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001169006456 927611941 /nfs/dbraw/zinc/61/19/41/927611941.db2.gz XRQLTUABVVNCGH-WCFLWFBJSA-N 1 0 277.324 1.248 20 5 CDBDRO NC(=O)[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001169006353 927611989 /nfs/dbraw/zinc/61/19/89/927611989.db2.gz XRQLTUABVVNCGH-CYZMBNFOSA-N 1 0 277.324 1.248 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)C1 ZINC001169013993 927619053 /nfs/dbraw/zinc/61/90/53/927619053.db2.gz XLFQQNRUBFDGDV-ZDCRXTMVSA-N 1 0 276.283 1.398 20 5 CDBDRO CN1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169034912 927640861 /nfs/dbraw/zinc/64/08/61/927640861.db2.gz IMWALRUNSNFAET-ZDEQEGDKSA-N 1 0 253.346 1.210 20 5 CDBDRO CCOCC[NH+](CCOCC)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169034570 927642606 /nfs/dbraw/zinc/64/26/06/927642606.db2.gz HYKUJBRQJZRNEB-KGLIPLIRSA-N 1 0 288.388 1.807 20 5 CDBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036517 927643951 /nfs/dbraw/zinc/64/39/51/927643951.db2.gz GHPIIHXTQFQFOX-WOPDTQHZSA-N 1 0 256.346 1.667 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCc3nccn3CC2)C1 ZINC001169036574 927646204 /nfs/dbraw/zinc/64/62/04/927646204.db2.gz GSVSPCTUPHGUSE-VXGBXAGGSA-N 1 0 264.329 1.187 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCOC3(CCOCC3)C2)C1 ZINC001169039520 927650080 /nfs/dbraw/zinc/65/00/80/927650080.db2.gz QVOUUTYJXYOSFI-OLZOCXBDSA-N 1 0 284.356 1.313 20 5 CDBDRO CC[N@H+](CCn1cccn1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039067 927650744 /nfs/dbraw/zinc/65/07/44/927650744.db2.gz MWVVHUFGHFXRMJ-CHWSQXEVSA-N 1 0 266.345 1.650 20 5 CDBDRO C[N@H+](CCN1CCCC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039833 927654427 /nfs/dbraw/zinc/65/44/27/927654427.db2.gz UPXPTCALFROYDR-STQMWFEESA-N 1 0 255.362 1.459 20 5 CDBDRO O=c1ccc2c([nH]1)CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169040378 927654758 /nfs/dbraw/zinc/65/47/58/927654758.db2.gz ZMVFPBHTQKFSDA-AAEUAGOBSA-N 1 0 291.351 1.633 20 5 CDBDRO CCN1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C(C)(C)C1 ZINC001169053583 927671061 /nfs/dbraw/zinc/67/10/61/927671061.db2.gz JBVXPIHHMMHRKA-QWHCGFSZSA-N 1 0 269.389 1.848 20 5 CDBDRO COC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776583122 927748207 /nfs/dbraw/zinc/74/82/07/927748207.db2.gz XCBPVRKSEDJGJA-DOMZBBRYSA-N 1 0 294.351 1.987 20 5 CDBDRO [NH3+]Cc1cnnn1-c1nccc2c1cccc2[N+](=O)[O-] ZINC001169304548 927942037 /nfs/dbraw/zinc/94/20/37/927942037.db2.gz YEIVKPILPAFMKG-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO CN(c1ccc2ncc([N+](=O)[O-])n2c1)C(C)(C)C[NH3+] ZINC001170058717 929230860 /nfs/dbraw/zinc/23/08/60/929230860.db2.gz BNIAJPQGBAZZDB-UHFFFAOYSA-N 1 0 263.301 1.416 20 5 CDBDRO C[C@@H]([NH3+])CN(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000861593731 929311888 /nfs/dbraw/zinc/31/18/88/929311888.db2.gz JKDMAUQTGYJBPK-SNVBAGLBSA-N 1 0 280.328 1.126 20 5 CDBDRO CC(=O)c1c([N+](=O)[O-])cccc1N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000882274290 929970794 /nfs/dbraw/zinc/97/07/94/929970794.db2.gz GBGCOBYYOBRYKC-TXEJJXNPSA-N 1 0 289.335 1.795 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](C[NH3+])C2)c1C ZINC000884252500 930499284 /nfs/dbraw/zinc/49/92/84/930499284.db2.gz MAJOYQQJKKMQQM-NSHDSACASA-N 1 0 293.323 1.011 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1cc2cccnc2c([N+](=O)[O-])c1 ZINC001170864626 930509987 /nfs/dbraw/zinc/50/99/87/930509987.db2.gz UWZSQRVIYHRCLU-ZDUSSCGKSA-N 1 0 276.296 1.612 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135429553 930624575 /nfs/dbraw/zinc/62/45/75/930624575.db2.gz BBEZCVXFEKFTBF-PWSUYJOCSA-N 1 0 277.324 1.333 20 5 CDBDRO Nc1ccc(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000818014987 930672522 /nfs/dbraw/zinc/67/25/22/930672522.db2.gz HJDIKCPYFRZDOZ-AWEZNQCLSA-N 1 0 290.323 1.145 20 5 CDBDRO C[C@@H]([NH3+])CCNc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001159773253 930827837 /nfs/dbraw/zinc/82/78/37/930827837.db2.gz ZGEUQVNDUJQHDX-MRVPVSSYSA-N 1 0 261.285 1.687 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NCC[N@@H+](C)C(C)C ZINC001117290670 937507007 /nfs/dbraw/zinc/50/70/07/937507007.db2.gz KDTIMLJIFIAQKU-UHFFFAOYSA-N 1 0 252.318 1.472 20 5 CDBDRO COc1nc(SC)nc(NCC(C)(C)[NH3+])c1[N+](=O)[O-] ZINC001171188677 931841844 /nfs/dbraw/zinc/84/18/44/931841844.db2.gz OSDFWYYYHQKPCW-UHFFFAOYSA-N 1 0 287.345 1.265 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCCCC[C@@H]2CO)cc1 ZINC000847014486 932183199 /nfs/dbraw/zinc/18/31/99/932183199.db2.gz JWYBFLDGUVLZMH-CABCVRRESA-N 1 0 294.351 1.865 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001118032669 937583334 /nfs/dbraw/zinc/58/33/34/937583334.db2.gz UKSWIHQIJYSTPL-LLVKDONJSA-N 1 0 294.355 1.734 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC001118123112 937594014 /nfs/dbraw/zinc/59/40/14/937594014.db2.gz JEXZCNJJQFSQLD-BXKDBHETSA-N 1 0 292.339 1.507 20 5 CDBDRO CC(F)(F)CNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001154860370 937596760 /nfs/dbraw/zinc/59/67/60/937596760.db2.gz UITJDAVHVMOZIW-UHFFFAOYSA-N 1 0 273.243 1.139 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)cc1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001155033706 937623939 /nfs/dbraw/zinc/62/39/39/937623939.db2.gz NCHUAAIVQSMHRJ-BQBZGAKWSA-N 1 0 274.683 1.755 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC[C@@H]1CCC[NH2+]C[C@H]1C ZINC001155035000 937624369 /nfs/dbraw/zinc/62/43/69/937624369.db2.gz ZVJPWEPXTZCADP-PWSUYJOCSA-N 1 0 294.355 1.584 20 5 CDBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1cc(N)c([N+](=O)[O-])cn1 ZINC001155022868 937622401 /nfs/dbraw/zinc/62/24/01/937622401.db2.gz BPJHDBDXKFSEGY-UWVGGRQHSA-N 1 0 279.344 1.620 20 5 CDBDRO Cc1c(C)c(N[C@H](C)C[NH+](C)C)ncc1[N+](=O)[O-] ZINC001155917550 937688982 /nfs/dbraw/zinc/68/89/82/937688982.db2.gz XSABHQSSWLZRCU-MRVPVSSYSA-N 1 0 252.318 1.969 20 5 CDBDRO CCN(C[C@H]1CCCO1)Cn1nccc1[N+](=O)[O-] ZINC000194010027 934723482 /nfs/dbraw/zinc/72/34/82/934723482.db2.gz TZQFVTOSZVKYPR-SNVBAGLBSA-N 1 0 254.290 1.250 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCC[C@H](F)C2)c1 ZINC001120515203 937805508 /nfs/dbraw/zinc/80/55/08/937805508.db2.gz GNMFTHNEKXCIQL-JBLDHEPKSA-N 1 0 286.307 1.023 20 5 CDBDRO CN(c1nc(Cl)ncc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001156169566 938327096 /nfs/dbraw/zinc/32/70/96/938327096.db2.gz FRULIVKIAWYNQP-UHFFFAOYSA-N 1 0 271.708 1.226 20 5 CDBDRO CCOc1nc(N(C)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001156175362 938329197 /nfs/dbraw/zinc/32/91/97/938329197.db2.gz DNKMMZNPWFGCSA-UHFFFAOYSA-N 1 0 280.328 1.577 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCC[C@H]1CCC[N@@H+](C)C1 ZINC001156389719 938361896 /nfs/dbraw/zinc/36/18/96/938361896.db2.gz QUHFXCGDTNQFNL-GFCCVEGCSA-N 1 0 294.355 1.680 20 5 CDBDRO COc1cnc(NC2(C)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001157401454 938487193 /nfs/dbraw/zinc/48/71/93/938487193.db2.gz IGINHXYNLVMTMA-UHFFFAOYSA-N 1 0 266.301 1.552 20 5 CDBDRO CC(C)Oc1nc(N2CC[C@](F)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC001157817123 938551212 /nfs/dbraw/zinc/55/12/12/938551212.db2.gz RKQPVHQYBJWFQL-ZDUSSCGKSA-N 1 0 298.318 1.654 20 5 CDBDRO Cc1nc(N(CC[NH3+])c2cccnc2)ccc1[N+](=O)[O-] ZINC001158000950 938573718 /nfs/dbraw/zinc/57/37/18/938573718.db2.gz YLYXFKOWPTZWDN-UHFFFAOYSA-N 1 0 273.296 1.790 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(-n2cc(CC[NH3+])cn2)n1 ZINC001158100434 938583096 /nfs/dbraw/zinc/58/30/96/938583096.db2.gz IADDWTMZUGKBAX-UHFFFAOYSA-N 1 0 261.285 1.294 20 5 CDBDRO Cc1cnc(C[NH3+])n1-c1cc(Cl)ncc1[N+](=O)[O-] ZINC001158163670 938588308 /nfs/dbraw/zinc/58/83/08/938588308.db2.gz ZOOILVWDMFOONF-UHFFFAOYSA-N 1 0 267.676 1.596 20 5 CDBDRO [NH3+]Cc1ccn(-c2nc(Cl)ncc2[N+](=O)[O-])c1 ZINC001158760059 938660458 /nfs/dbraw/zinc/66/04/58/938660458.db2.gz GXTKGNZROFYMMG-UHFFFAOYSA-N 1 0 253.649 1.288 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)nc(NC[C@@H]2COCC[NH2+]2)c1 ZINC001159036358 938694799 /nfs/dbraw/zinc/69/47/99/938694799.db2.gz LSXMJUXAAKHMJL-SSDOTTSWSA-N 1 0 272.692 1.044 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001159748339 938750292 /nfs/dbraw/zinc/75/02/92/938750292.db2.gz MSPIWMXLBQFOSE-LBPRGKRZSA-N 1 0 284.316 1.246 20 5 CDBDRO CCOc1nc(NC[C@@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC001160147946 938771327 /nfs/dbraw/zinc/77/13/27/938771327.db2.gz NCEIOXCTWUVRJI-JTQLQIEISA-N 1 0 280.328 1.943 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@]1(C[NH3+])CN2CCC1CC2 ZINC001160509412 938792563 /nfs/dbraw/zinc/79/25/63/938792563.db2.gz RXVUVSXMDDGYBD-CQSZACIVSA-N 1 0 291.355 1.133 20 5 CDBDRO COc1cnc(NC[C@H]2C[NH2+]CC(C)(C)O2)c([N+](=O)[O-])c1 ZINC001161953916 938948077 /nfs/dbraw/zinc/94/80/77/938948077.db2.gz CSRUVCYQHPZQOI-SNVBAGLBSA-N 1 0 296.327 1.177 20 5 CDBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@H]1CCC[C@H]([NH3+])C1 ZINC001162405297 939047265 /nfs/dbraw/zinc/04/72/65/939047265.db2.gz UFXXNFNLXSKDEM-IUCAKERBSA-N 1 0 294.311 1.458 20 5 CDBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001162405296 939047335 /nfs/dbraw/zinc/04/73/35/939047335.db2.gz UFXXNFNLXSKDEM-DTWKUNHWSA-N 1 0 294.311 1.458 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(NC[C@H]2C[NH2+][C@H](C)C2)n1 ZINC001162554770 939086468 /nfs/dbraw/zinc/08/64/68/939086468.db2.gz GMKZNTGLQBXHGP-RKDXNWHRSA-N 1 0 266.301 1.408 20 5 CDBDRO [NH3+]Cc1ccnn1-c1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001162593129 939097496 /nfs/dbraw/zinc/09/74/96/939097496.db2.gz YFAWOPXFHJEFOO-UHFFFAOYSA-N 1 0 296.290 1.696 20 5 CDBDRO Nc1cc(NC2CC3(C2)CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001162981742 939168418 /nfs/dbraw/zinc/16/84/18/939168418.db2.gz FQVCYFPKRUQTPJ-UHFFFAOYSA-N 1 0 277.328 1.516 20 5 CDBDRO COc1nc(N[C@H](C[NH3+])c2ccccc2)ncc1[N+](=O)[O-] ZINC001163292650 939241151 /nfs/dbraw/zinc/24/11/51/939241151.db2.gz VGUNKJNTNRMMAI-SNVBAGLBSA-N 1 0 289.295 1.505 20 5 CDBDRO O=[N+]([O-])c1cccnc1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163315039 939245416 /nfs/dbraw/zinc/24/54/16/939245416.db2.gz JDYIGLRVHWABPF-MFKMUULPSA-N 1 0 278.312 1.313 20 5 CDBDRO CC[N@@H+]1CCCN(c2cc(OC)c([N+](=O)[O-])cn2)CC1 ZINC001163773358 939327181 /nfs/dbraw/zinc/32/71/81/939327181.db2.gz AKLYRQXAAOAFAF-UHFFFAOYSA-N 1 0 280.328 1.530 20 5 CDBDRO CC(C)(C)c1ccc(N(CC[NH3+])CCO)c([N+](=O)[O-])c1 ZINC001163837292 939340341 /nfs/dbraw/zinc/34/03/41/939340341.db2.gz YQBSMQFLESGCIQ-UHFFFAOYSA-N 1 0 281.356 1.650 20 5 CDBDRO CC(=O)Nc1ccc(-n2nc(C[NH3+])cc2C)cc1[N+](=O)[O-] ZINC001163985967 939371943 /nfs/dbraw/zinc/37/19/43/939371943.db2.gz LYBRMHMZMREWJB-UHFFFAOYSA-N 1 0 289.295 1.506 20 5 CDBDRO C[C@@H]1CC[C@@H](C[NH3+])N(c2ccc([N+](=O)[O-])c(N)n2)C1 ZINC001164075929 939406835 /nfs/dbraw/zinc/40/68/35/939406835.db2.gz ZBNIKOCXBFQISM-BDAKNGLRSA-N 1 0 265.317 1.136 20 5 CDBDRO C[C@@]1(C[NH3+])CCCN(c2ncc([N+](=O)[O-])cc2N)CC1 ZINC001164247170 939440982 /nfs/dbraw/zinc/44/09/82/939440982.db2.gz GLGSVTOSJXXZNC-CYBMUJFWSA-N 1 0 279.344 1.527 20 5 CDBDRO [NH3+][C@H]1CCN(c2ncc(F)c3cc([N+](=O)[O-])ccc32)C1 ZINC001164279760 939445274 /nfs/dbraw/zinc/44/52/74/939445274.db2.gz UPUQHUDHORRKGM-QMMMGPOBSA-N 1 0 276.271 1.820 20 5 CDBDRO COc1nc(N2CC(C)([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001165116727 939512013 /nfs/dbraw/zinc/51/20/13/939512013.db2.gz KWCLGMFJERAMMR-UHFFFAOYSA-N 1 0 266.301 1.139 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(N2C[C@@H]3C[NH+](C)C[C@H]3C2)nc1Cl ZINC001165146123 939517407 /nfs/dbraw/zinc/51/74/07/939517407.db2.gz BNAHNVJVHUQEIQ-UWVGGRQHSA-N 1 0 296.758 1.949 20 5 CDBDRO C[NH+]1C[C@H]2CN(c3cc(Cl)cc([N+](=O)[O-])n3)C[C@@H]2C1 ZINC001165149184 939519126 /nfs/dbraw/zinc/51/91/26/939519126.db2.gz NQQJBTWMMSHCTL-IUCAKERBSA-N 1 0 282.731 1.641 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2CC[N@@H+](C(C)C)[C@H](C)C2)n1 ZINC001165199152 939522544 /nfs/dbraw/zinc/52/25/44/939522544.db2.gz JZVGGIJOXHOHBR-SNVBAGLBSA-N 1 0 279.344 1.612 20 5 CDBDRO [NH3+]CC1(F)CCN(c2cc([N+](=O)[O-])cc(Cl)n2)CC1 ZINC001165260325 939535816 /nfs/dbraw/zinc/53/58/16/939535816.db2.gz UHYJNVBVOHQJLF-UHFFFAOYSA-N 1 0 288.710 1.910 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cc(N2CC[C@@H]3[NH2+]CC[C@H]32)n1 ZINC001165296655 939542146 /nfs/dbraw/zinc/54/21/46/939542146.db2.gz QRGCOEWANFHPKY-DTWKUNHWSA-N 1 0 268.704 1.584 20 5 CDBDRO CC(C)Oc1nc(N2CC[C@H]3C[C@@]3([NH3+])C2)ccc1[N+](=O)[O-] ZINC001165329282 939546102 /nfs/dbraw/zinc/54/61/02/939546102.db2.gz JKURRIMIXLLCDV-IINYFYTJSA-N 1 0 292.339 1.705 20 5 CDBDRO [NH3+]C1CCN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)CC1 ZINC001166665520 939624564 /nfs/dbraw/zinc/62/45/64/939624564.db2.gz BGCMMNBDJYBQTB-UHFFFAOYSA-N 1 0 299.334 1.979 20 5 CDBDRO [NH3+][C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1(F)F ZINC001166959848 939660875 /nfs/dbraw/zinc/66/08/75/939660875.db2.gz KVQYUBGRUVEDQW-MRVPVSSYSA-N 1 0 292.673 1.816 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCC1CCCCC1 ZINC001206040837 939971250 /nfs/dbraw/zinc/97/12/50/939971250.db2.gz IGMIGWMLPZVWFC-CQSZACIVSA-N 1 0 272.409 1.957 20 5 CDBDRO CC[C@@H](C)C[C@H]([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000400866153 940859490 /nfs/dbraw/zinc/85/94/90/940859490.db2.gz FKFYLRQIULFRAO-PWSUYJOCSA-N 1 0 279.340 1.975 20 5 CDBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1ccc(N)c([N+](=O)[O-])c1 ZINC001217995816 941034531 /nfs/dbraw/zinc/03/45/31/941034531.db2.gz NXESZQPSLVQJHU-ZANVPECISA-N 1 0 265.313 1.944 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCc1cccc(S(C)(=O)=O)c1 ZINC001223441029 941678670 /nfs/dbraw/zinc/67/86/70/941678670.db2.gz JOIALNPRBSEMSQ-GFCCVEGCSA-N 1 0 286.417 1.701 20 5 CDBDRO C[C@H](C[NH+](C)C)OCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001223488525 941681494 /nfs/dbraw/zinc/68/14/94/941681494.db2.gz PINXDKSSHRMSDG-SECBINFHSA-N 1 0 283.284 1.970 20 5 CDBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1OCC[N+](C)(C)C ZINC001224772263 941789904 /nfs/dbraw/zinc/78/99/04/941789904.db2.gz YFMOVIJEBCVLOX-OLZOCXBDSA-N 1 0 287.424 1.965 20 5 CDBDRO C[N+](C)(C)CCO[C@@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001224772622 941790410 /nfs/dbraw/zinc/79/04/10/941790410.db2.gz BFPAZMRIIUXCTA-AWEZNQCLSA-N 1 0 297.331 1.456 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(F)cc1F ZINC001225315451 941843700 /nfs/dbraw/zinc/84/37/00/941843700.db2.gz RNBOBJKHOLJUAX-SNVBAGLBSA-N 1 0 274.287 1.327 20 5 CDBDRO CC[NH+]1CCC(Oc2cc(OC)c([N+](=O)[O-])cn2)CC1 ZINC001226581061 942030182 /nfs/dbraw/zinc/03/01/82/942030182.db2.gz KAJMSMRBTOAOIT-UHFFFAOYSA-N 1 0 281.312 1.862 20 5 CDBDRO CC[NH+]1CCC(Oc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001227109266 942134388 /nfs/dbraw/zinc/13/43/88/942134388.db2.gz UMOZMHUHAQGORO-UHFFFAOYSA-N 1 0 296.283 1.761 20 5 CDBDRO COC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)nc1C ZINC001228708680 942364697 /nfs/dbraw/zinc/36/46/97/942364697.db2.gz RFECUFIOCCKHEZ-JTQLQIEISA-N 1 0 267.349 1.650 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1c(Br)ccnc1N ZINC001228757845 942371715 /nfs/dbraw/zinc/37/17/15/942371715.db2.gz XEVLGEMYKYBWIO-QMMMGPOBSA-N 1 0 289.197 1.900 20 5 CDBDRO COC(=O)c1c(O[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC001229045427 942412085 /nfs/dbraw/zinc/41/20/85/942412085.db2.gz NCVDFIFWYBQGME-SECBINFHSA-N 1 0 282.296 1.710 20 5 CDBDRO CSc1cc(C)nc(O[C@H](C)C[N+](C)(C)C)n1 ZINC001229076120 942414801 /nfs/dbraw/zinc/41/48/01/942414801.db2.gz PQISVUCFUWDCIH-SNVBAGLBSA-N 1 0 256.395 1.980 20 5 CDBDRO COC(=O)CCc1ccc(O)cc1O[C@@H](C)C[N+](C)(C)C ZINC001229098893 942418723 /nfs/dbraw/zinc/41/87/23/942418723.db2.gz IPNIYQJGYDIADG-LBPRGKRZSA-O 1 0 296.387 1.971 20 5 CDBDRO COC(=O)c1cc(O[C@H]2CC[N@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC001229941076 942554545 /nfs/dbraw/zinc/55/45/45/942554545.db2.gz HTBCDJDBNIVVNP-QMMMGPOBSA-N 1 0 298.270 1.603 20 5 CDBDRO COC(=O)c1cnc(OC)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001230651076 942666876 /nfs/dbraw/zinc/66/68/76/942666876.db2.gz IBKTUEDOTJBPMS-JTQLQIEISA-N 1 0 283.348 1.350 20 5 CDBDRO C[NH+](C)C1CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001262337456 946589042 /nfs/dbraw/zinc/58/90/42/946589042.db2.gz OUUZBRNNBDOZLJ-KBPBESRZSA-N 1 0 289.335 1.471 20 5 CDBDRO [NH3+]C1CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254465921 947449692 /nfs/dbraw/zinc/44/96/92/947449692.db2.gz OSBGBPYDOPEACT-UHFFFAOYSA-N 1 0 276.340 1.207 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC([NH+](C)C)C1 ZINC001254551046 947520574 /nfs/dbraw/zinc/52/05/74/947520574.db2.gz WKVZVTWCACSZFD-NSHDSACASA-N 1 0 263.341 1.772 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]1CO ZINC001254552321 947522240 /nfs/dbraw/zinc/52/22/40/947522240.db2.gz KWNQTACBNSWNPH-AAEUAGOBSA-N 1 0 264.325 1.983 20 5 CDBDRO CC(=O)NC[C@@H](C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254549768 947522988 /nfs/dbraw/zinc/52/29/88/947522988.db2.gz ZDSZPKMFPUBSAC-NWDGAFQWSA-N 1 0 293.367 1.888 20 5 CDBDRO CC1(C)OCC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CO1 ZINC001254576099 947536345 /nfs/dbraw/zinc/53/63/45/947536345.db2.gz URVHSPBPWADMEC-LBPRGKRZSA-N 1 0 292.335 1.803 20 5 CDBDRO O=C1CCC[C@@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CN1 ZINC001254579911 947537245 /nfs/dbraw/zinc/53/72/45/947537245.db2.gz XARAMLPVAYOEAE-CHWSQXEVSA-N 1 0 289.335 1.320 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCOC[C@@H]1F)C2 ZINC001254590026 947542722 /nfs/dbraw/zinc/54/27/22/947542722.db2.gz STPBXVJSEFVAPU-UBHSHLNASA-N 1 0 280.299 1.779 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N[C@@H]1CCCC[NH2+]C1)C2 ZINC001246089413 947939898 /nfs/dbraw/zinc/93/98/98/947939898.db2.gz DWKWAIGAGCZCRJ-KGLIPLIRSA-N 1 0 275.352 1.794 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[NH2+]CC1 ZINC001246530298 948233742 /nfs/dbraw/zinc/23/37/42/948233742.db2.gz WMFQOOVWPLTVGH-LBPRGKRZSA-N 1 0 263.341 1.821 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246635619 948372278 /nfs/dbraw/zinc/37/22/78/948372278.db2.gz DUYZOBPZHDQGSB-KCPJHIHWSA-N 1 0 275.352 1.962 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@]2(F)CC[NH2+]C2)n1 ZINC001247805873 948790232 /nfs/dbraw/zinc/79/02/32/948790232.db2.gz YDLNHVZAVVEWFO-NSHDSACASA-N 1 0 297.221 1.337 20 5 CDBDRO [NH3+][C@@H]1CC[C@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001248167781 948956558 /nfs/dbraw/zinc/95/65/58/948956558.db2.gz JGSYWZVQBFNMKX-POYBYMJQSA-N 1 0 293.258 1.774 20 5 CDBDRO CNC(=O)C1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001308228359 956496107 /nfs/dbraw/zinc/49/61/07/956496107.db2.gz MUOXGJQBFAYEDI-UHFFFAOYSA-N 1 0 291.351 1.989 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001333338118 958263951 /nfs/dbraw/zinc/26/39/51/958263951.db2.gz NGCBGKHQINTQJS-IWIIMEHWSA-N 1 0 275.308 1.159 20 5 CDBDRO Cc1nc(NC[C@@H]2CCCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC001334940257 959472780 /nfs/dbraw/zinc/47/27/80/959472780.db2.gz WSWMHHUOYXWLPA-NSHDSACASA-N 1 0 279.344 1.837 20 5 CDBDRO CCn1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)nn1 ZINC001334981778 959508528 /nfs/dbraw/zinc/50/85/28/959508528.db2.gz FPIQNDQPFXUEKF-UHFFFAOYSA-N 1 0 275.312 1.539 20 5 CDBDRO CC[C@@H](C)[NH+]1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2C)CC1 ZINC001339668654 962477642 /nfs/dbraw/zinc/47/76/42/962477642.db2.gz PSTIVXXJVYRWPU-MNOVXSKESA-N 1 0 296.375 1.073 20 5 CDBDRO [NH3+]C1CC2(C1)CC(NC(=O)Cc1ccccc1[N+](=O)[O-])C2 ZINC001341987957 963603679 /nfs/dbraw/zinc/60/36/79/963603679.db2.gz DCUOZUPKIMNMQK-UHFFFAOYSA-N 1 0 289.335 1.523 20 5 CDBDRO Cc1cc(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)cc([N+](=O)[O-])c1 ZINC001342897707 963853566 /nfs/dbraw/zinc/85/35/66/963853566.db2.gz LXWRDZXEOAGBOX-OCCSQVGLSA-N 1 0 275.308 1.841 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001343778434 964138100 /nfs/dbraw/zinc/13/81/00/964138100.db2.gz ZKEHRDUWDCQQJZ-VIFPVBQESA-N 1 0 251.286 1.697 20 5 CDBDRO Nc1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC001348000840 965783580 /nfs/dbraw/zinc/78/35/80/965783580.db2.gz QUDVQOBRPPPYGF-NSHDSACASA-N 1 0 291.355 1.494 20 5 CDBDRO Cc1nc(N2CC[C@H]([NH+](C)C)[C@H]2C)ncc1[N+](=O)[O-] ZINC001350488931 966680021 /nfs/dbraw/zinc/68/00/21/966680021.db2.gz ZONMEDQNQLTQHR-ZJUUUORDSA-N 1 0 265.317 1.222 20 5 CDBDRO CCC(CC)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001200471858 968287484 /nfs/dbraw/zinc/28/74/84/968287484.db2.gz KVERDOYKPWVSBL-ZIAGYGMSSA-N 1 0 297.399 1.668 20 5 CDBDRO C[C@H](NC(=O)[C@H]1[NH2+]CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001354829801 968925364 /nfs/dbraw/zinc/92/53/64/968925364.db2.gz MRYDCSSXFQMGTM-JOYOIKCWSA-N 1 0 277.324 1.770 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001356498815 969412559 /nfs/dbraw/zinc/41/25/59/969412559.db2.gz JHZBUIRZRNLKSJ-BPNCWPANSA-N 1 0 291.351 1.670 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCON ZINC001574978777 1171073929 /nfs/dbraw/zinc/07/39/29/1171073929.db2.gz BHKUFOAFZITPJB-FLIBITNWSA-N 1 0 265.313 1.868 20 5 CDBDRO CC[C@@](C)(C[NH3+])C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001576949654 1171571783 /nfs/dbraw/zinc/57/17/83/1171571783.db2.gz ZBBZXNQFQPFAQJ-AWEZNQCLSA-N 1 0 294.355 1.498 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCCN1c1ccc([N+](=O)[O-])cn1 ZINC000601188277 342488098 /nfs/dbraw/zinc/48/80/98/342488098.db2.gz FVWYKQXJKWGAIV-LLVKDONJSA-N 1 0 264.329 1.910 20 5 CDBDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000124441758 187137840 /nfs/dbraw/zinc/13/78/40/187137840.db2.gz QBPUNIHOAFOITE-CQSZACIVSA-N 1 0 293.323 1.041 20 5 CDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ncccc1[N+](=O)[O-] ZINC000267773192 300220438 /nfs/dbraw/zinc/22/04/38/300220438.db2.gz XMKIIXXUUAKWCO-WDEREUQCSA-N 1 0 264.329 1.766 20 5 CDBDRO CC[NH+]1CCC(CNc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000312446381 342529016 /nfs/dbraw/zinc/52/90/16/342529016.db2.gz CQSBWCAOYIELNU-UHFFFAOYSA-N 1 0 279.344 1.716 20 5 CDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000590403314 342544023 /nfs/dbraw/zinc/54/40/23/342544023.db2.gz KRYDERIJIFMNPJ-JQWIXIFHSA-N 1 0 277.324 1.759 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000590403872 342544127 /nfs/dbraw/zinc/54/41/27/342544127.db2.gz OYLSOHQRBYAZHZ-ZWNOBZJWSA-N 1 0 277.324 1.759 20 5 CDBDRO C[C@@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000590455013 342548830 /nfs/dbraw/zinc/54/88/30/342548830.db2.gz RLGWWSOWSSTRAO-JTQLQIEISA-N 1 0 279.340 1.896 20 5 CDBDRO CCc1ccc(C(=O)N[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000127695831 187326613 /nfs/dbraw/zinc/32/66/13/187326613.db2.gz ODGLFAYJZIGTHR-LLVKDONJSA-N 1 0 263.297 1.249 20 5 CDBDRO CC(=O)NCC[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000564991036 365545946 /nfs/dbraw/zinc/54/59/46/365545946.db2.gz VUGLRDLQLSXNPQ-FNORWQNLSA-N 1 0 277.324 1.676 20 5 CDBDRO Cc1c(CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000564935339 365551090 /nfs/dbraw/zinc/55/10/90/365551090.db2.gz ZVGHAVUQEDWJQY-NXEZZACHSA-N 1 0 294.355 1.828 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000070172120 361737563 /nfs/dbraw/zinc/73/75/63/361737563.db2.gz LFQVDOJIEWVPAT-ZYHUDNBSSA-N 1 0 277.324 1.794 20 5 CDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000590566609 342576028 /nfs/dbraw/zinc/57/60/28/342576028.db2.gz MLTZXQYXFPNXRE-ONGXEEELSA-N 1 0 292.339 1.342 20 5 CDBDRO Cc1cc(N2CC[C@H]([NH+](C)C)[C@H]2C)ncc1[N+](=O)[O-] ZINC000590568525 342576105 /nfs/dbraw/zinc/57/61/05/342576105.db2.gz DYFRQHJAGHTKKC-MNOVXSKESA-N 1 0 264.329 1.827 20 5 CDBDRO CO[C@H](C[NH3+])C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000290011624 197562411 /nfs/dbraw/zinc/56/24/11/197562411.db2.gz QGNLKLCDRSENPJ-BXKDBHETSA-N 1 0 281.312 1.054 20 5 CDBDRO O=[N+]([O-])c1ncccc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000609132452 342091387 /nfs/dbraw/zinc/09/13/87/342091387.db2.gz YLOABBUCHSVCMW-YPMHNXCESA-N 1 0 292.339 1.025 20 5 CDBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(C)(C)O ZINC000083187600 178352235 /nfs/dbraw/zinc/35/22/35/178352235.db2.gz MPFOVMSQUDOZFF-UHFFFAOYSA-N 1 0 279.296 1.939 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[NH3+] ZINC000591270364 342623725 /nfs/dbraw/zinc/62/37/25/342623725.db2.gz ATVGFCGEWVPRKM-SSDOTTSWSA-N 1 0 268.273 1.072 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCN2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000591448937 342632952 /nfs/dbraw/zinc/63/29/52/342632952.db2.gz QXBPKGONTZGKGB-SWLSCSKDSA-N 1 0 291.351 1.657 20 5 CDBDRO C[C@@H](NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000591581001 342637924 /nfs/dbraw/zinc/63/79/24/342637924.db2.gz IWGHIROBYPWIGC-USWWRNFRSA-N 1 0 267.304 1.945 20 5 CDBDRO C[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)C[NH+](C)C ZINC000311016123 342143377 /nfs/dbraw/zinc/14/33/77/342143377.db2.gz YDDWTDVXQLDDPS-QMMMGPOBSA-N 1 0 253.306 1.182 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)CCC[NH3+])c1 ZINC000591679903 342641723 /nfs/dbraw/zinc/64/17/23/342641723.db2.gz ZFTHJIONCBFWFZ-UHFFFAOYSA-N 1 0 267.285 1.024 20 5 CDBDRO CNc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000592331764 342685425 /nfs/dbraw/zinc/68/54/25/342685425.db2.gz ZRZZOUBOQSMWAA-WDEREUQCSA-N 1 0 292.339 1.636 20 5 CDBDRO CCOc1cc(C[N@H+](CCO)C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000289872642 361865307 /nfs/dbraw/zinc/86/53/07/361865307.db2.gz QVIUKAOASRMAHV-LLVKDONJSA-N 1 0 298.339 1.169 20 5 CDBDRO Cc1c(CC(=O)N[C@@H](C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000269584291 190516518 /nfs/dbraw/zinc/51/65/18/190516518.db2.gz AWPQIILWUVWJAK-NSHDSACASA-N 1 0 293.367 1.902 20 5 CDBDRO Cc1cccc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000593502885 342808717 /nfs/dbraw/zinc/80/87/17/342808717.db2.gz DQDVGORKJVDPRP-GFCCVEGCSA-N 1 0 277.324 1.158 20 5 CDBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000137520050 361931409 /nfs/dbraw/zinc/93/14/09/361931409.db2.gz QXDDMPOJDGMGPY-SNVBAGLBSA-N 1 0 297.359 1.558 20 5 CDBDRO CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000290021067 361975820 /nfs/dbraw/zinc/97/58/20/361975820.db2.gz BAOAZLXAULWACI-ICCXJUOJSA-N 1 0 266.297 1.659 20 5 CDBDRO CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000290074353 361996893 /nfs/dbraw/zinc/99/68/93/361996893.db2.gz GIOSZBAFJSQHCO-ICCXJUOJSA-N 1 0 266.297 1.659 20 5 CDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCn2cnc([N+](=O)[O-])n2)C1 ZINC000594885520 342968394 /nfs/dbraw/zinc/96/83/94/342968394.db2.gz GVORJQSVHLIKIR-NXEZZACHSA-N 1 0 253.306 1.164 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)Cn1cncn1 ZINC000595015157 343001362 /nfs/dbraw/zinc/00/13/62/343001362.db2.gz YVWIXPWAVVUESY-JTQLQIEISA-N 1 0 291.311 1.373 20 5 CDBDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000401961558 349729126 /nfs/dbraw/zinc/72/91/26/349729126.db2.gz XBKGCPVBVQGFOD-ZYHUDNBSSA-N 1 0 250.298 1.904 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000595228541 343009385 /nfs/dbraw/zinc/00/93/85/343009385.db2.gz CCRYLTFJUGDUOT-SKDRFNHKSA-N 1 0 293.323 1.413 20 5 CDBDRO [NH3+]C1(CNC(=O)NCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000595264250 343015690 /nfs/dbraw/zinc/01/56/90/343015690.db2.gz PWGSSMGMBNYUPD-UHFFFAOYSA-N 1 0 292.339 1.666 20 5 CDBDRO CSC[C@@](C)(O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000230168170 349774995 /nfs/dbraw/zinc/77/49/95/349774995.db2.gz DLGYZCQZZCGBIG-ZDUSSCGKSA-N 1 0 284.381 1.841 20 5 CDBDRO O=C1CCCN1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000405344364 349783916 /nfs/dbraw/zinc/78/39/16/349783916.db2.gz RWKBHCFOQWZNPL-UHFFFAOYSA-N 1 0 277.324 1.349 20 5 CDBDRO CC(C)(CC(N)=O)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595433546 343059336 /nfs/dbraw/zinc/05/93/36/343059336.db2.gz SBAGKYGVWDMHJZ-UHFFFAOYSA-N 1 0 269.276 1.478 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000619531105 349792830 /nfs/dbraw/zinc/79/28/30/349792830.db2.gz BPUOMCPFEQJRGU-VXGBXAGGSA-N 1 0 277.324 1.255 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@H](n2cncn2)C1 ZINC000595445991 343063289 /nfs/dbraw/zinc/06/32/89/343063289.db2.gz ANFAARIRYIOVNS-GFCCVEGCSA-N 1 0 291.286 1.772 20 5 CDBDRO C[NH+]1CCC(CCNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000076269624 342320398 /nfs/dbraw/zinc/32/03/98/342320398.db2.gz UTDYHCJAGZUXCY-UHFFFAOYSA-N 1 0 280.332 1.111 20 5 CDBDRO Cc1noc(CN(C)CC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000595562664 343099146 /nfs/dbraw/zinc/09/91/46/343099146.db2.gz JIMLGLSNNXMGRJ-UHFFFAOYSA-N 1 0 282.344 1.809 20 5 CDBDRO CC(C)C[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000078596108 342338709 /nfs/dbraw/zinc/33/87/09/342338709.db2.gz LWIQINVJXDYGFN-UHFFFAOYSA-N 1 0 267.333 1.106 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC1=CCSC1 ZINC000595890210 343181536 /nfs/dbraw/zinc/18/15/36/343181536.db2.gz ZVTVGXBLOXMFDT-UHFFFAOYSA-N 1 0 268.342 1.396 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000595981231 343210395 /nfs/dbraw/zinc/21/03/95/343210395.db2.gz BQQASSAAEYWGAK-VIFPVBQESA-N 1 0 251.286 1.241 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000595982261 343210837 /nfs/dbraw/zinc/21/08/37/343210837.db2.gz CZBYOUBLQWFROB-VIFPVBQESA-N 1 0 251.286 1.241 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000595983683 343211077 /nfs/dbraw/zinc/21/10/77/343211077.db2.gz QHKCFKSKLSLPSY-ZETCQYMHSA-N 1 0 255.249 1.072 20 5 CDBDRO NC(=O)c1cc(NCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000596059837 343222878 /nfs/dbraw/zinc/22/28/78/343222878.db2.gz UOLLROSCNRPWTQ-UHFFFAOYSA-N 1 0 278.312 1.201 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000596306931 343293469 /nfs/dbraw/zinc/29/34/69/343293469.db2.gz JSSUDWFQLXMWSS-NSHDSACASA-N 1 0 278.356 1.944 20 5 CDBDRO Cc1nn(C)c(N2CC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000072089532 282271712 /nfs/dbraw/zinc/27/17/12/282271712.db2.gz LEADBCFKAJRZHP-LLVKDONJSA-N 1 0 279.344 1.311 20 5 CDBDRO Cc1cc(C(=O)NC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000457215970 365770721 /nfs/dbraw/zinc/77/07/21/365770721.db2.gz FFHMBZXAANBCNP-UHFFFAOYSA-N 1 0 279.340 1.973 20 5 CDBDRO CC(C)c1n[nH]c(C(=O)NCC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000597991644 343682209 /nfs/dbraw/zinc/68/22/09/343682209.db2.gz GFBOZMJHENWHCZ-VIFPVBQESA-N 1 0 297.359 1.511 20 5 CDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000598342238 343770666 /nfs/dbraw/zinc/77/06/66/343770666.db2.gz LBHGKHBMUVBFCN-JTQLQIEISA-N 1 0 283.353 1.870 20 5 CDBDRO C[NH2+]C1(CNc2cc(C)c([N+](=O)[O-])cn2)CCC1 ZINC000598634162 343849962 /nfs/dbraw/zinc/84/99/62/343849962.db2.gz RIDFYBDVHLBEEL-UHFFFAOYSA-N 1 0 250.302 1.852 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC1([NH2+]C)CCC1 ZINC000598636534 343863339 /nfs/dbraw/zinc/86/33/39/343863339.db2.gz ZDMURRWNDKULNX-UHFFFAOYSA-N 1 0 267.333 1.674 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CC[C@@H](O)C1 ZINC000599084349 343958179 /nfs/dbraw/zinc/95/81/79/343958179.db2.gz BAZDXBQWTZJMSG-TZMCWYRMSA-N 1 0 293.367 1.620 20 5 CDBDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000251995989 344061966 /nfs/dbraw/zinc/06/19/66/344061966.db2.gz ZPHDYFMTNLDDJS-NMKXLXIOSA-N 1 0 296.371 1.567 20 5 CDBDRO Cc1n[nH]c(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000602599464 344503966 /nfs/dbraw/zinc/50/39/66/344503966.db2.gz PNMIASPXCJVNMT-UHFFFAOYSA-N 1 0 275.312 1.396 20 5 CDBDRO O=C1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000602586448 344477331 /nfs/dbraw/zinc/47/73/31/344477331.db2.gz BWLKAMSHUQHQKZ-GFCCVEGCSA-N 1 0 289.335 1.490 20 5 CDBDRO [NH3+]CCN(Cc1ccon1)c1ccccc1[N+](=O)[O-] ZINC000602659380 344508290 /nfs/dbraw/zinc/50/82/90/344508290.db2.gz LUUFCUWOCRGVIS-UHFFFAOYSA-N 1 0 262.269 1.548 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000602782728 344597622 /nfs/dbraw/zinc/59/76/22/344597622.db2.gz WHKOLDUVHCGNSC-UWVGGRQHSA-N 1 0 252.318 1.830 20 5 CDBDRO CO[C@@H]1CCC[C@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602842635 344622728 /nfs/dbraw/zinc/62/27/28/344622728.db2.gz ZBOPDTWZIBANPG-GHMZBOCLSA-N 1 0 268.317 1.257 20 5 CDBDRO C[NH2+]Cc1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000603197863 344731537 /nfs/dbraw/zinc/73/15/37/344731537.db2.gz DKOAGWAIKDCXJX-UHFFFAOYSA-N 1 0 265.248 1.093 20 5 CDBDRO C[NH+]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000201100464 344701458 /nfs/dbraw/zinc/70/14/58/344701458.db2.gz CXPJHEVQPVNUHA-UHFFFAOYSA-N 1 0 272.308 1.895 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000302525095 344868033 /nfs/dbraw/zinc/86/80/33/344868033.db2.gz WWGILGNCAIWQRG-UHFFFAOYSA-N 1 0 251.286 1.324 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000052336808 362511662 /nfs/dbraw/zinc/51/16/62/362511662.db2.gz BPRMXFZPYNHTLS-BXUZGUMPSA-N 1 0 296.371 1.711 20 5 CDBDRO COc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000129262683 345279196 /nfs/dbraw/zinc/27/91/96/345279196.db2.gz JKBFVQSDRMWTGZ-GXSJLCMTSA-N 1 0 293.323 1.555 20 5 CDBDRO CC[C@](C)(O)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609544791 345597215 /nfs/dbraw/zinc/59/72/15/345597215.db2.gz XTVHCDZFKDZCDC-AWEZNQCLSA-N 1 0 296.323 1.617 20 5 CDBDRO CC[N@H+](C)CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000073897032 345583409 /nfs/dbraw/zinc/58/34/09/345583409.db2.gz WTKFPSJRTPOPPS-UHFFFAOYSA-N 1 0 294.355 1.388 20 5 CDBDRO CCC1(CC)[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C[C@@H]1OC ZINC000191386495 282448951 /nfs/dbraw/zinc/44/89/51/282448951.db2.gz FTRCQFPUMCTBIF-NEPJUHHUSA-N 1 0 296.371 1.975 20 5 CDBDRO COc1ccc(CN2C[C@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000086469313 362712577 /nfs/dbraw/zinc/71/25/77/362712577.db2.gz HKMLZOPNXURSTG-QWRGUYRKSA-N 1 0 279.340 1.786 20 5 CDBDRO CC[N@@H+]1CCN(c2c([N+](=O)[O-])c(C)nn2C)C[C@@H]1C ZINC000611084771 346604192 /nfs/dbraw/zinc/60/41/92/346604192.db2.gz RXYJWJTXWAVQHV-VIFPVBQESA-N 1 0 267.333 1.167 20 5 CDBDRO C[C@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]1 ZINC000611250977 346718650 /nfs/dbraw/zinc/71/86/50/346718650.db2.gz MHYWBWAVSDGMCH-JTQLQIEISA-N 1 0 293.323 1.160 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+](CCO)CC2CC2)c1 ZINC000064516116 347470814 /nfs/dbraw/zinc/47/08/14/347470814.db2.gz SIAXQVCEVQURBS-UHFFFAOYSA-N 1 0 280.324 1.678 20 5 CDBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000618937344 347733079 /nfs/dbraw/zinc/73/30/79/347733079.db2.gz ZFRPNNHLVPRXRM-SNVBAGLBSA-N 1 0 295.343 1.026 20 5 CDBDRO CNC(=O)c1ccc(N2CCC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000053548860 347746306 /nfs/dbraw/zinc/74/63/06/347746306.db2.gz JVHSOHOGGSRNSV-UHFFFAOYSA-N 1 0 292.339 1.096 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000086467312 179296905 /nfs/dbraw/zinc/29/69/05/179296905.db2.gz BJDSNBBMQMHUGV-ADYIUWEDSA-N 1 0 289.335 1.817 20 5 CDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)C[NH+]1CCCCC1 ZINC000056344290 347854656 /nfs/dbraw/zinc/85/46/56/347854656.db2.gz JZOVGFKVPRTGOJ-LLVKDONJSA-N 1 0 294.355 1.775 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CC[C@H](n3cncn3)C2)c(F)c1 ZINC000614420476 348106760 /nfs/dbraw/zinc/10/67/60/348106760.db2.gz VVDRTIZPJPDDCJ-LBPRGKRZSA-N 1 0 291.286 1.772 20 5 CDBDRO C[C@@H](O)CCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000618969404 348405825 /nfs/dbraw/zinc/40/58/25/348405825.db2.gz QBBPROWESNKFIY-SNVBAGLBSA-N 1 0 296.323 1.617 20 5 CDBDRO COc1ccc(C(=O)NC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000025149385 348620156 /nfs/dbraw/zinc/62/01/56/348620156.db2.gz SIKZTKLYEFLDSJ-SECBINFHSA-N 1 0 281.312 1.283 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@]12CC[NH2+]C2 ZINC001579180777 1172110998 /nfs/dbraw/zinc/11/09/98/1172110998.db2.gz RHEJHJCSUSYJRI-OAHLLOKOSA-N 1 0 291.351 1.931 20 5 CDBDRO CCC[N@H+](CCO)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000072953655 349142309 /nfs/dbraw/zinc/14/23/09/349142309.db2.gz FJSSCQUEXSKFRE-UHFFFAOYSA-N 1 0 295.339 1.546 20 5 CDBDRO C[C@H](O)CCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000616104810 349293531 /nfs/dbraw/zinc/29/35/31/349293531.db2.gz REWJSIMOVPTARO-LBPRGKRZSA-N 1 0 294.355 1.273 20 5 CDBDRO C[C@H]([NH2+]C[C@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000090848561 180045171 /nfs/dbraw/zinc/04/51/71/180045171.db2.gz KGXVJHOWCRTRKC-GXFFZTMASA-N 1 0 266.297 1.397 20 5 CDBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000136253739 362953147 /nfs/dbraw/zinc/95/31/47/362953147.db2.gz OPKOEAFAMYJBED-NSHDSACASA-N 1 0 268.317 1.027 20 5 CDBDRO COc1cccc(C(=O)N[C@@](C)(C[NH3+])C2CC2)c1[N+](=O)[O-] ZINC000515636271 362954769 /nfs/dbraw/zinc/95/47/69/362954769.db2.gz NIVVAFREMROJOQ-AWEZNQCLSA-N 1 0 293.323 1.461 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000092134427 180332258 /nfs/dbraw/zinc/33/22/58/180332258.db2.gz AUARSBXOTLLJHO-JTQLQIEISA-N 1 0 265.313 1.409 20 5 CDBDRO CC(C)[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000092394914 180376704 /nfs/dbraw/zinc/37/67/04/180376704.db2.gz QSNVUOUYNNODCJ-LLVKDONJSA-N 1 0 283.284 1.610 20 5 CDBDRO CC[N@H+](CCCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000135420399 358473479 /nfs/dbraw/zinc/47/34/79/358473479.db2.gz RHQRNTNICFMSHW-UHFFFAOYSA-N 1 0 252.314 1.842 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC1(O)CCCC1 ZINC000152183209 188000255 /nfs/dbraw/zinc/00/02/55/188000255.db2.gz CVFLNIGNRRMSPS-UHFFFAOYSA-N 1 0 268.317 1.028 20 5 CDBDRO Cc1sc(C(=O)N[C@@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000154905265 188169321 /nfs/dbraw/zinc/16/93/21/188169321.db2.gz RVIFDJJGQCTEMN-LBPRGKRZSA-N 1 0 283.353 1.822 20 5 CDBDRO CC(C)(NC(=O)C[NH2+]CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000262654360 535218469 /nfs/dbraw/zinc/21/84/69/535218469.db2.gz WJCIZFPSGFTTJK-UHFFFAOYSA-N 1 0 291.351 1.946 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](CO)C1 ZINC000157156382 188300335 /nfs/dbraw/zinc/30/03/35/188300335.db2.gz UNMQIVQURPTKMP-LBPRGKRZSA-N 1 0 280.324 1.678 20 5 CDBDRO CSc1ccc(C(=O)NCC[NH3+])cc1[N+](=O)[O-] ZINC000158701996 188389844 /nfs/dbraw/zinc/38/98/44/188389844.db2.gz PUVNIVLNLPCHPW-UHFFFAOYSA-N 1 0 255.299 1.005 20 5 CDBDRO C[NH2+]CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000063159342 363236552 /nfs/dbraw/zinc/23/65/52/363236552.db2.gz UOKLVKHSRWVMAO-UHFFFAOYSA-N 1 0 277.324 1.666 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000382443024 363251036 /nfs/dbraw/zinc/25/10/36/363251036.db2.gz HBOJOVSTDUHVDY-ZYHUDNBSSA-N 1 0 277.324 1.381 20 5 CDBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000171978934 188772742 /nfs/dbraw/zinc/77/27/42/188772742.db2.gz VTHAHYYMWDMOQV-KWQFWETISA-N 1 0 251.286 1.509 20 5 CDBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000272962989 192000115 /nfs/dbraw/zinc/00/01/15/192000115.db2.gz AEOICZZUNGOFHU-NEPJUHHUSA-N 1 0 280.324 1.676 20 5 CDBDRO Cc1cnc(N2CCC3(CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000578175981 356180359 /nfs/dbraw/zinc/18/03/59/356180359.db2.gz HOLAVXPDMGRNPS-UHFFFAOYSA-N 1 0 276.340 1.878 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CC[NH3+] ZINC000336793150 356264090 /nfs/dbraw/zinc/26/40/90/356264090.db2.gz VPFLNGCONIFQGY-SECBINFHSA-N 1 0 251.286 1.370 20 5 CDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000286357182 356266276 /nfs/dbraw/zinc/26/62/76/356266276.db2.gz FTWWAAKYSUNIRL-DGCLKSJQSA-N 1 0 280.324 1.819 20 5 CDBDRO CC[C@H]([NH3+])c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000229939133 356321619 /nfs/dbraw/zinc/32/16/19/356321619.db2.gz GPOGTDNKLYWMAZ-NSHDSACASA-N 1 0 261.285 1.644 20 5 CDBDRO COc1ccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000219790398 356446452 /nfs/dbraw/zinc/44/64/52/356446452.db2.gz LZPHJBVTPJQJON-QWHCGFSZSA-N 1 0 291.351 1.787 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000037766484 356530205 /nfs/dbraw/zinc/53/02/05/356530205.db2.gz VYEMRDJCRKTBNB-SKDRFNHKSA-N 1 0 263.297 1.524 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000163532244 356811437 /nfs/dbraw/zinc/81/14/37/356811437.db2.gz RCRAJSCGPCGJLB-VXGBXAGGSA-N 1 0 291.351 1.960 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163716619 357096091 /nfs/dbraw/zinc/09/60/91/357096091.db2.gz ZHRPKFQHOKDGMF-CMPLNLGQSA-N 1 0 291.351 1.960 20 5 CDBDRO COc1cc(NC[C@@](C)(O)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000132938491 357234608 /nfs/dbraw/zinc/23/46/08/357234608.db2.gz YDAYCTROHSRKHF-CYBMUJFWSA-N 1 0 283.328 1.328 20 5 CDBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)C[C@@H]12 ZINC000185083751 357507379 /nfs/dbraw/zinc/50/73/79/357507379.db2.gz MXGIGUHEKRLOLO-QNSHHTMESA-N 1 0 281.337 1.466 20 5 CDBDRO CC1(C)CNC(=O)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000282801700 357476528 /nfs/dbraw/zinc/47/65/28/357476528.db2.gz QVHVMNJIKKZJQO-UHFFFAOYSA-N 1 0 293.323 1.184 20 5 CDBDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284113285 357643328 /nfs/dbraw/zinc/64/33/28/357643328.db2.gz NLJRPKQTXKTQFZ-VIFPVBQESA-N 1 0 280.328 1.352 20 5 CDBDRO CC[NH+]1CCC(CCNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000120271523 357675958 /nfs/dbraw/zinc/67/59/58/357675958.db2.gz MLNIBKRYRLCPEV-UHFFFAOYSA-N 1 0 295.343 1.170 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000290747946 357735251 /nfs/dbraw/zinc/73/52/51/357735251.db2.gz SFNQXFZIXOZQHJ-SECBINFHSA-N 1 0 253.306 1.525 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135216991 357782557 /nfs/dbraw/zinc/78/25/57/357782557.db2.gz BODWAQNTGRFRKR-SMDDNHRTSA-N 1 0 291.351 1.866 20 5 CDBDRO C[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294441502 199040179 /nfs/dbraw/zinc/04/01/79/199040179.db2.gz VEVKCTXJGPCYNS-UWVGGRQHSA-N 1 0 266.345 1.778 20 5 CDBDRO CCC[C@H]([NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000236861859 357916920 /nfs/dbraw/zinc/91/69/20/357916920.db2.gz ZPWVCCOPBXBYOM-NSHDSACASA-N 1 0 265.313 1.381 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC2([C@@H]3CC[NH2+]C3)CC2)n1 ZINC001579642600 1172232222 /nfs/dbraw/zinc/23/22/22/1172232222.db2.gz MHGMQOYRBNFIIN-SNVBAGLBSA-N 1 0 290.323 1.170 20 5 CDBDRO Cc1ccc(N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000192796296 358236709 /nfs/dbraw/zinc/23/67/09/358236709.db2.gz LXGFYSZLYZFVOF-QWHCGFSZSA-N 1 0 293.367 1.795 20 5 CDBDRO Cc1cc(C(=O)N(C)C2CC([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000294839403 199206219 /nfs/dbraw/zinc/20/62/19/199206219.db2.gz MHHMXDGPZOFXOB-UHFFFAOYSA-N 1 0 263.297 1.465 20 5 CDBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000127427130 358668420 /nfs/dbraw/zinc/66/84/20/358668420.db2.gz XLENVTALSKTMHL-ZDUSSCGKSA-N 1 0 282.344 1.427 20 5 CDBDRO CSC[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000135449242 358754601 /nfs/dbraw/zinc/75/46/01/358754601.db2.gz ZHILFRRANTUHPZ-JTQLQIEISA-N 1 0 270.358 1.619 20 5 CDBDRO C[N@H+](CCOc1ccccc1)CCn1ccc([N+](=O)[O-])n1 ZINC000176191444 358731603 /nfs/dbraw/zinc/73/16/03/358731603.db2.gz MSGCCTPOKZRLFJ-UHFFFAOYSA-N 1 0 290.323 1.802 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000186699045 358817061 /nfs/dbraw/zinc/81/70/61/358817061.db2.gz NPOXBDLXMNVIMX-KWQFWETISA-N 1 0 281.287 1.462 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)CC(N)=O ZINC000186213457 358792409 /nfs/dbraw/zinc/79/24/09/358792409.db2.gz UKNJTEHHCDMPHS-UHFFFAOYSA-N 1 0 281.312 1.347 20 5 CDBDRO [NH3+]CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000070187600 358916994 /nfs/dbraw/zinc/91/69/94/358916994.db2.gz KVBCOXXNVVMKKC-UHFFFAOYSA-N 1 0 295.314 1.935 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000267163125 358969813 /nfs/dbraw/zinc/96/98/13/358969813.db2.gz ZHJRPDMQAXGDKM-UHFFFAOYSA-N 1 0 299.302 1.133 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(O)CCOC1 ZINC000539044171 358944180 /nfs/dbraw/zinc/94/41/80/358944180.db2.gz KFSLDTSDOGXKLH-FZMZJTMJSA-N 1 0 280.324 1.705 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000104189667 358950401 /nfs/dbraw/zinc/95/04/01/358950401.db2.gz YPWFAQOIMNIZMC-JTQLQIEISA-N 1 0 292.339 1.167 20 5 CDBDRO CCN(CCCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000135509772 359043182 /nfs/dbraw/zinc/04/31/82/359043182.db2.gz AKLJNPLWFFKVIY-UHFFFAOYSA-N 1 0 281.312 1.238 20 5 CDBDRO CC[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000338198805 359097953 /nfs/dbraw/zinc/09/79/53/359097953.db2.gz IWJSTOWHCMIEGP-ZDUSSCGKSA-N 1 0 294.355 1.463 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H](CO)C[NH+]2CCCCC2)c(F)c1 ZINC000570180862 359289845 /nfs/dbraw/zinc/28/98/45/359289845.db2.gz PHECNNMDSBSMNF-SNVBAGLBSA-N 1 0 298.318 1.388 20 5 CDBDRO CC(C)[C@H]([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015910 359276422 /nfs/dbraw/zinc/27/64/22/359276422.db2.gz YAJCCNCJVPJWHY-NSHDSACASA-N 1 0 251.286 1.194 20 5 CDBDRO C[C@H](Nc1ncc([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]C1 ZINC000050164212 359352407 /nfs/dbraw/zinc/35/24/07/359352407.db2.gz UUQORQOIXPVYFT-DTWKUNHWSA-N 1 0 251.290 1.185 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339679969 359427413 /nfs/dbraw/zinc/42/74/13/359427413.db2.gz UNWTVNHHPVWEDA-ZDUSSCGKSA-N 1 0 291.351 1.879 20 5 CDBDRO COc1ccc(C(=O)N2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000050246271 359408019 /nfs/dbraw/zinc/40/80/19/359408019.db2.gz CINRQUDEFLDUID-VIFPVBQESA-N 1 0 279.296 1.024 20 5 CDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ncc([N+](=O)[O-])cc1F ZINC000408468928 359817488 /nfs/dbraw/zinc/81/74/88/359817488.db2.gz ONKRPGPBGKGWJO-JOYOIKCWSA-N 1 0 282.319 1.905 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000274468756 359830046 /nfs/dbraw/zinc/83/00/46/359830046.db2.gz WTPGNLUVDHENEK-MRVPVSSYSA-N 1 0 269.326 1.150 20 5 CDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH3+] ZINC000423537138 359854030 /nfs/dbraw/zinc/85/40/30/359854030.db2.gz JHDGWPMUNSKWLD-MRVPVSSYSA-N 1 0 283.353 1.784 20 5 CDBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000235430631 360115519 /nfs/dbraw/zinc/11/55/19/360115519.db2.gz GFBGPTZJYAQCRU-ZJUUUORDSA-N 1 0 299.352 1.014 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000135881973 360138092 /nfs/dbraw/zinc/13/80/92/360138092.db2.gz XUDOBFSPWCYINA-ZYHUDNBSSA-N 1 0 277.324 1.333 20 5 CDBDRO C[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000135994514 360217691 /nfs/dbraw/zinc/21/76/91/360217691.db2.gz URHRPWKJXJUPHI-UWVGGRQHSA-N 1 0 295.343 1.168 20 5 CDBDRO C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC2(CCC2)O1 ZINC000514860467 360238125 /nfs/dbraw/zinc/23/81/25/360238125.db2.gz GWHGSMRZVZOCFT-NSHDSACASA-N 1 0 280.328 1.435 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000382411811 360294136 /nfs/dbraw/zinc/29/41/36/360294136.db2.gz DWZXMTKXIRJYFR-GHMZBOCLSA-N 1 0 281.287 1.734 20 5 CDBDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000177416913 189049205 /nfs/dbraw/zinc/04/92/05/189049205.db2.gz TZFJDOYUBJURIS-CQSZACIVSA-N 1 0 278.308 1.980 20 5 CDBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCOC1 ZINC000348150377 360525243 /nfs/dbraw/zinc/52/52/43/360525243.db2.gz YMSNHGMKGQBTBL-GHMZBOCLSA-N 1 0 268.317 1.196 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000449638801 283571092 /nfs/dbraw/zinc/57/10/92/283571092.db2.gz MBUMUGDNXAIALW-MWLCHTKSSA-N 1 0 295.314 1.981 20 5 CDBDRO CC(C)[C@H](C[NH3+])C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000087525896 360787487 /nfs/dbraw/zinc/78/74/87/360787487.db2.gz FSMOGNFWBCXCQT-LBPRGKRZSA-N 1 0 279.340 1.784 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[NH+]2CCCC2)n1 ZINC000166752455 360846776 /nfs/dbraw/zinc/84/67/76/360846776.db2.gz GRXZUQLCVOUSAR-UHFFFAOYSA-N 1 0 294.311 1.284 20 5 CDBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000179086093 189167744 /nfs/dbraw/zinc/16/77/44/189167744.db2.gz RFCVOWRCFNWOBR-LNSITVRQSA-N 1 0 294.351 1.864 20 5 CDBDRO CCc1n[nH]c(C(=O)N2C[C@H](C)N(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000408439669 361001677 /nfs/dbraw/zinc/00/16/77/361001677.db2.gz UDLRZBQAFBKKLN-IUCAKERBSA-N 1 0 295.343 1.045 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000053202058 361203638 /nfs/dbraw/zinc/20/36/38/361203638.db2.gz HVEJMUNIDLJGRW-GFCCVEGCSA-N 1 0 277.324 1.727 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000053202358 361203642 /nfs/dbraw/zinc/20/36/42/361203642.db2.gz AOYWATCZDGTRSQ-LBPRGKRZSA-N 1 0 277.324 1.348 20 5 CDBDRO CO[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000267630113 361234549 /nfs/dbraw/zinc/23/45/49/361234549.db2.gz GNXFUMYUDYRJEU-NSHDSACASA-N 1 0 266.297 1.694 20 5 CDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[NH2+]1 ZINC000053253564 361402768 /nfs/dbraw/zinc/40/27/68/361402768.db2.gz QLZFOTQCAMRCSX-ZCRIDZFUSA-N 1 0 275.308 1.476 20 5 CDBDRO Nc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000192789093 283667198 /nfs/dbraw/zinc/66/71/98/283667198.db2.gz MVRLUPCHTCAWJV-GFCCVEGCSA-N 1 0 276.340 1.852 20 5 CDBDRO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000291825894 239248641 /nfs/dbraw/zinc/24/86/41/239248641.db2.gz SLFHRXSJMJAYCT-SNVBAGLBSA-N 1 0 280.328 1.914 20 5 CDBDRO Cn1cc([N+](=O)[O-])c(NC[C@]23CCC[C@H]2[NH2+]CC3)n1 ZINC001579970455 1172313139 /nfs/dbraw/zinc/31/31/39/1172313139.db2.gz XJVVUQBYSRKEMB-ZYHUDNBSSA-N 1 0 265.317 1.272 20 5 CDBDRO COC(=O)c1cc(NC(=O)CC(C)(C)[NH3+])cc([N+](=O)[O-])c1 ZINC000237141974 364081350 /nfs/dbraw/zinc/08/13/50/364081350.db2.gz RRXQETVJBOGUSE-UHFFFAOYSA-N 1 0 295.295 1.447 20 5 CDBDRO COc1ccc(C[NH2+][C@H](C)C[S@@](C)=O)cc1[N+](=O)[O-] ZINC000168183765 364048877 /nfs/dbraw/zinc/04/88/77/364048877.db2.gz OKHUUTDNDSAQQC-HOGDKLEQSA-N 1 0 286.353 1.460 20 5 CDBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000456341382 364246120 /nfs/dbraw/zinc/24/61/20/364246120.db2.gz FBSBSIDXEWIZAG-JTQLQIEISA-N 1 0 280.328 1.479 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@@H](C)C2)c1 ZINC000088147824 364264094 /nfs/dbraw/zinc/26/40/94/364264094.db2.gz QOYBGQGMNHLESG-JTQLQIEISA-N 1 0 263.297 1.337 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000104223286 364644758 /nfs/dbraw/zinc/64/47/58/364644758.db2.gz PORBBVKIYVDJDM-SNVBAGLBSA-N 1 0 251.286 1.370 20 5 CDBDRO CC[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000270903527 366944853 /nfs/dbraw/zinc/94/48/53/366944853.db2.gz MWOJFFRVXBAKEO-BXUZGUMPSA-N 1 0 280.324 1.676 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000414648727 241300435 /nfs/dbraw/zinc/30/04/35/241300435.db2.gz BIOKGLKTUHFOCB-QMMMGPOBSA-N 1 0 282.300 1.414 20 5 CDBDRO CC[NH2+]CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000414651986 241302243 /nfs/dbraw/zinc/30/22/43/241302243.db2.gz CPDUDYUSUZFZFW-UHFFFAOYSA-N 1 0 266.301 1.634 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000414665128 241310163 /nfs/dbraw/zinc/31/01/63/241310163.db2.gz UNVIROPTHWYNGL-LBPRGKRZSA-N 1 0 278.312 1.762 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]([NH3+])C1CC1 ZINC000414889118 241442267 /nfs/dbraw/zinc/44/22/67/241442267.db2.gz FXMNHZNELAYELJ-ZDUSSCGKSA-N 1 0 279.340 1.820 20 5 CDBDRO COc1ccncc1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000348298880 367047462 /nfs/dbraw/zinc/04/74/62/367047462.db2.gz DVPQVVUEBWUULN-UHFFFAOYSA-N 1 0 287.275 1.928 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090321068 367030645 /nfs/dbraw/zinc/03/06/45/367030645.db2.gz SSCAHKBJSCYFPC-PHIMTYICSA-N 1 0 275.308 1.195 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357586415 367082707 /nfs/dbraw/zinc/08/27/07/367082707.db2.gz XTGJFBLHEYSGGS-VIFPVBQESA-N 1 0 295.343 1.229 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000272175294 367275339 /nfs/dbraw/zinc/27/53/39/367275339.db2.gz CLFVQBLKQDCIIB-DGCLKSJQSA-N 1 0 291.351 1.723 20 5 CDBDRO CCC[NH+](CCC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090517300 367470461 /nfs/dbraw/zinc/47/04/61/367470461.db2.gz VPJJPOLAVKFUKP-UHFFFAOYSA-N 1 0 267.329 1.879 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000418566719 243219432 /nfs/dbraw/zinc/21/94/32/243219432.db2.gz WKMGICWSOOTJQF-SNVBAGLBSA-N 1 0 294.355 1.866 20 5 CDBDRO CC[NH+](CC)C[C@@H](C)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420584365 244266525 /nfs/dbraw/zinc/26/65/25/244266525.db2.gz MSFFMISQZOLZQE-SNVBAGLBSA-N 1 0 294.355 1.836 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCC1 ZINC000276085507 193210014 /nfs/dbraw/zinc/21/00/14/193210014.db2.gz XMDZOICOPGRNON-UHFFFAOYSA-N 1 0 283.353 1.870 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N(C)C[C@H]1CCC[N@@H+]1C ZINC000420634086 244299880 /nfs/dbraw/zinc/29/98/80/244299880.db2.gz KJBZIYZUBISYBP-LLVKDONJSA-N 1 0 264.329 1.829 20 5 CDBDRO [NH3+][C@@H](CNCc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000414893599 369383042 /nfs/dbraw/zinc/38/30/42/369383042.db2.gz RRUUYTZXXLKGGP-LBPRGKRZSA-N 1 0 253.277 1.561 20 5 CDBDRO [NH3+]C[C@]12CN(c3ncc([N+](=O)[O-])cn3)C[C@@H]1CCCC2 ZINC001580256476 1172388390 /nfs/dbraw/zinc/38/83/90/1172388390.db2.gz VGSQEPTYKXKJTB-GXFFZTMASA-N 1 0 277.328 1.340 20 5 CDBDRO C[C@H](C[NH3+])CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000414872402 370964111 /nfs/dbraw/zinc/96/41/11/370964111.db2.gz FYIBEYYWWOXJPC-MRVPVSSYSA-N 1 0 257.721 1.933 20 5 CDBDRO C[C@H]1CO[C@@H](CO)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000129884075 370053447 /nfs/dbraw/zinc/05/34/47/370053447.db2.gz VRDSDJTWLFHSSF-SMDDNHRTSA-N 1 0 280.324 1.219 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000422610985 245134120 /nfs/dbraw/zinc/13/41/20/245134120.db2.gz ZABNRFQXRHXVHC-UHFFFAOYSA-N 1 0 294.355 1.564 20 5 CDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C(C)(C)C(N)=O ZINC000295777914 370638857 /nfs/dbraw/zinc/63/88/57/370638857.db2.gz TXANKINPDRTCGF-UHFFFAOYSA-N 1 0 281.312 1.169 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH2+]CC1 ZINC000422701034 245158273 /nfs/dbraw/zinc/15/82/73/245158273.db2.gz HWLQNQAIZHESCQ-UHFFFAOYSA-N 1 0 279.296 1.039 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[C@@H](C)[NH3+] ZINC000422781619 245249497 /nfs/dbraw/zinc/24/94/97/245249497.db2.gz LSDNZHARYXEJFA-SNVBAGLBSA-N 1 0 279.340 1.987 20 5 CDBDRO C[C@@H](C[C@H]1COCCN1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422796928 245266262 /nfs/dbraw/zinc/26/62/62/245266262.db2.gz ZLQIDIBIPGEYBT-JSGCOSHPSA-N 1 0 293.367 1.494 20 5 CDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])n1 ZINC000422855388 245336067 /nfs/dbraw/zinc/33/60/67/245336067.db2.gz VIYLKNRRVOOBJL-ZJUUUORDSA-N 1 0 295.343 1.011 20 5 CDBDRO NC(=O)C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000367981647 371268324 /nfs/dbraw/zinc/26/83/24/371268324.db2.gz BUTZAHLPJZKQAP-NSHDSACASA-N 1 0 293.323 1.171 20 5 CDBDRO Cc1nc(N2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000229098126 372136526 /nfs/dbraw/zinc/13/65/26/372136526.db2.gz ZQFGUNZKQGELKE-KOLCDFICSA-N 1 0 264.329 1.719 20 5 CDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCn1cc([N+](=O)[O-])cn1 ZINC000177308822 372883176 /nfs/dbraw/zinc/88/31/76/372883176.db2.gz WJCBXSRZKLWXHM-OLZOCXBDSA-N 1 0 293.371 1.350 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000356748291 373047553 /nfs/dbraw/zinc/04/75/53/373047553.db2.gz VPGKOFHPRWPCQU-LBPRGKRZSA-N 1 0 293.367 1.982 20 5 CDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000347070753 373282033 /nfs/dbraw/zinc/28/20/33/373282033.db2.gz DRVSCJUUCWHIJC-JTQLQIEISA-N 1 0 280.328 1.385 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1CO ZINC000190838281 373404227 /nfs/dbraw/zinc/40/42/27/373404227.db2.gz RLEQBYDWBUMLFS-ZJUUUORDSA-N 1 0 268.288 1.794 20 5 CDBDRO Nc1nc(NC2CC[NH+](CC3CC3)CC2)ncc1[N+](=O)[O-] ZINC000298729655 374083640 /nfs/dbraw/zinc/08/36/40/374083640.db2.gz MWUVBSDXORXWSW-UHFFFAOYSA-N 1 0 292.343 1.253 20 5 CDBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000274064978 374092855 /nfs/dbraw/zinc/09/28/55/374092855.db2.gz QQNZVALRXDJJLU-NWDGAFQWSA-N 1 0 280.324 1.988 20 5 CDBDRO CC(C)[C@@H](CCO)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000274143577 374138712 /nfs/dbraw/zinc/13/87/12/374138712.db2.gz ZUIQQFJOFKUOAV-GFCCVEGCSA-N 1 0 282.340 1.970 20 5 CDBDRO C[NH+](C)CCCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000114675077 374338173 /nfs/dbraw/zinc/33/81/73/374338173.db2.gz JDINYAXYZWOUIB-UHFFFAOYSA-N 1 0 299.302 1.181 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2CCO)cc1 ZINC000301905519 374437521 /nfs/dbraw/zinc/43/75/21/374437521.db2.gz RJLNJMFONXYBCZ-GFCCVEGCSA-N 1 0 250.298 1.942 20 5 CDBDRO CC[NH+](CC)CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000068519681 374477243 /nfs/dbraw/zinc/47/72/43/374477243.db2.gz RKRZMCAECXZXMQ-UHFFFAOYSA-N 1 0 295.339 1.432 20 5 CDBDRO COc1ccc(C(=O)N2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000019275215 374708421 /nfs/dbraw/zinc/70/84/21/374708421.db2.gz FPHLDALZOYMPFT-UHFFFAOYSA-N 1 0 279.296 1.039 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](CO)[C@H]2CCCO2)cc1 ZINC000447906419 374721507 /nfs/dbraw/zinc/72/15/07/374721507.db2.gz OSFNCOQZYDNFHF-ZIAGYGMSSA-N 1 0 296.323 1.103 20 5 CDBDRO COC(=O)c1cnc(N[C@@H](C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000276654263 374738863 /nfs/dbraw/zinc/73/88/63/374738863.db2.gz ZJDUCWNXACGLBO-VIFPVBQESA-N 1 0 296.327 1.529 20 5 CDBDRO Cc1sc(C(=O)N[C@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000449591469 374823366 /nfs/dbraw/zinc/82/33/66/374823366.db2.gz QNMIJOVSGQUUTG-PHDIDXHHSA-N 1 0 257.315 1.430 20 5 CDBDRO C[C@@H]1C[N@H+](CCCNc2ncccc2[N+](=O)[O-])CCCO1 ZINC000278209324 374834403 /nfs/dbraw/zinc/83/44/03/374834403.db2.gz RDFZTQTWZVWDEC-GFCCVEGCSA-N 1 0 294.355 1.903 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000330543872 374861571 /nfs/dbraw/zinc/86/15/71/374861571.db2.gz BJFXHZRLEPTSEA-NSHDSACASA-N 1 0 294.355 1.773 20 5 CDBDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000279650513 374940470 /nfs/dbraw/zinc/94/04/70/374940470.db2.gz DZJBCQOLGPMJOQ-AWEZNQCLSA-N 1 0 291.351 1.943 20 5 CDBDRO CN1CCO[C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000332122933 375005844 /nfs/dbraw/zinc/00/58/44/375005844.db2.gz CLCYZROBHXNSRJ-CABCVRRESA-N 1 0 291.351 1.152 20 5 CDBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCOC1 ZINC000280601893 375005892 /nfs/dbraw/zinc/00/58/92/375005892.db2.gz ODOOOMJPNVCLMI-UWVGGRQHSA-N 1 0 290.323 1.986 20 5 CDBDRO CN(CCc1cccc([N+](=O)[O-])c1)Cc1nccc(N)n1 ZINC000282437516 375086313 /nfs/dbraw/zinc/08/63/13/375086313.db2.gz KRQRKPFVSWIVBX-UHFFFAOYSA-N 1 0 287.323 1.642 20 5 CDBDRO Cc1ccc(C[NH2+][C@H](C)C(=O)NCCF)cc1[N+](=O)[O-] ZINC000282685204 375098890 /nfs/dbraw/zinc/09/88/90/375098890.db2.gz NSDGFEVJXQYLNV-SNVBAGLBSA-N 1 0 283.303 1.467 20 5 CDBDRO CCOc1cc(C[N@H+](C)[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000282898332 375104595 /nfs/dbraw/zinc/10/45/95/375104595.db2.gz WQFIJQGDHXWKGA-JTQLQIEISA-N 1 0 268.313 1.806 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000162038766 375261730 /nfs/dbraw/zinc/26/17/30/375261730.db2.gz ZEFDNZPBAOHILW-JGVFFNPUSA-N 1 0 253.258 1.188 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000131962711 375390367 /nfs/dbraw/zinc/39/03/67/375390367.db2.gz MAVJTFZWQKKJJD-QWRGUYRKSA-N 1 0 277.324 1.713 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000226779223 375395478 /nfs/dbraw/zinc/39/54/78/375395478.db2.gz VBCBWDGETZUSLW-QMMMGPOBSA-N 1 0 256.331 1.487 20 5 CDBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[C@@H]1O ZINC000162501035 375368814 /nfs/dbraw/zinc/36/88/14/375368814.db2.gz CRBRUHSQBZDEIG-QEJZJMRPSA-N 1 0 294.351 1.721 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493477906 375457958 /nfs/dbraw/zinc/45/79/58/375457958.db2.gz BQDUMIOHKZMPQE-MALLOTDXSA-N 1 0 281.287 1.601 20 5 CDBDRO CC1(CNc2ccc([N+](=O)[O-])cn2)CC[NH2+]CC1 ZINC000129430545 375465352 /nfs/dbraw/zinc/46/53/52/375465352.db2.gz WMZCSTZBVKIKRY-UHFFFAOYSA-N 1 0 250.302 1.791 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000132595770 375535370 /nfs/dbraw/zinc/53/53/70/375535370.db2.gz DFZFHEAONSPABU-SECBINFHSA-N 1 0 269.688 1.421 20 5 CDBDRO C[NH2+]CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000132622126 375542788 /nfs/dbraw/zinc/54/27/88/375542788.db2.gz OIURIKQYHKJTSX-UHFFFAOYSA-N 1 0 257.677 1.197 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000132466501 375500248 /nfs/dbraw/zinc/50/02/48/375500248.db2.gz VLXLQYKZIBVNGF-MRVPVSSYSA-N 1 0 281.337 1.490 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3ccsc3C2)c1 ZINC000132550466 375522409 /nfs/dbraw/zinc/52/24/09/375522409.db2.gz AGGODJDWCDQMLZ-UHFFFAOYSA-N 1 0 278.337 1.911 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@H]1C(N)=O ZINC000347331398 375557494 /nfs/dbraw/zinc/55/74/94/375557494.db2.gz FBCNSUGHVKWQAJ-MSKHEQNASA-N 1 0 289.335 1.948 20 5 CDBDRO COC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)OC ZINC000227706111 375596148 /nfs/dbraw/zinc/59/61/48/375596148.db2.gz FRVBMIAOJRZJQU-LBPRGKRZSA-N 1 0 254.286 1.346 20 5 CDBDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000353439569 375609719 /nfs/dbraw/zinc/60/97/19/375609719.db2.gz MMELXXIVHDALNL-NOZJJQNGSA-N 1 0 295.339 1.593 20 5 CDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H]1C ZINC000354423224 375708738 /nfs/dbraw/zinc/70/87/38/375708738.db2.gz IGLLLUCMSPBQHK-WDEREUQCSA-N 1 0 294.355 1.868 20 5 CDBDRO Cc1cc(C(=O)NC[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000294208746 375746804 /nfs/dbraw/zinc/74/68/04/375746804.db2.gz OKOBZSFKWKAIHO-JTQLQIEISA-N 1 0 279.340 1.831 20 5 CDBDRO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C[N@@H+]1C1CC1 ZINC000133534599 375797774 /nfs/dbraw/zinc/79/77/74/375797774.db2.gz IZCSFWGORUOIHQ-SFYZADRCSA-N 1 0 278.316 1.004 20 5 CDBDRO [NH3+]CC[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000307830530 375803923 /nfs/dbraw/zinc/80/39/23/375803923.db2.gz ZUDCSVIRWXHNSN-VIFPVBQESA-N 1 0 291.229 1.604 20 5 CDBDRO COc1ccc(C(=O)N[C@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000307910525 375896475 /nfs/dbraw/zinc/89/64/75/375896475.db2.gz HUUAFKPCZSSMBW-LBPRGKRZSA-N 1 0 293.323 1.474 20 5 CDBDRO Cc1nc(NC2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000296455396 376160220 /nfs/dbraw/zinc/16/02/20/376160220.db2.gz IYHKNCAFGYMNKY-UHFFFAOYSA-N 1 0 251.290 1.199 20 5 CDBDRO O=C1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)N1 ZINC000433195598 248006854 /nfs/dbraw/zinc/00/68/54/248006854.db2.gz WTEAEQFWCMVTRF-JTQLQIEISA-N 1 0 281.287 1.492 20 5 CDBDRO Cc1c(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000435237335 248160009 /nfs/dbraw/zinc/16/00/09/248160009.db2.gz XFKWTTWGVULVRG-GFCCVEGCSA-N 1 0 289.335 1.870 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435239667 248160482 /nfs/dbraw/zinc/16/04/82/248160482.db2.gz XQAQMQWXKCCHRM-ZDUSSCGKSA-N 1 0 289.335 1.490 20 5 CDBDRO Cc1cc(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000435239385 248160782 /nfs/dbraw/zinc/16/07/82/248160782.db2.gz VVWUMWYKFBQVOG-ZDUSSCGKSA-N 1 0 289.335 1.870 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000189313577 377228998 /nfs/dbraw/zinc/22/89/98/377228998.db2.gz QXTFYOZKNSXHCA-SKDRFNHKSA-N 1 0 263.297 1.465 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000172170764 377322772 /nfs/dbraw/zinc/32/27/72/377322772.db2.gz MMYCEXQIUKIBOJ-VIFPVBQESA-N 1 0 283.353 1.680 20 5 CDBDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000161729667 377274018 /nfs/dbraw/zinc/27/40/18/377274018.db2.gz BFHZSAOQOQYCJS-MWLCHTKSSA-N 1 0 268.288 1.937 20 5 CDBDRO CC(C)([NH3+])CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000132156762 377710568 /nfs/dbraw/zinc/71/05/68/377710568.db2.gz LZMQWMKGQUKQQI-UHFFFAOYSA-N 1 0 289.133 1.902 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000040602188 378440272 /nfs/dbraw/zinc/44/02/72/378440272.db2.gz WKCMSDRKBKTAAL-JTQLQIEISA-N 1 0 250.302 1.426 20 5 CDBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000289474801 197364535 /nfs/dbraw/zinc/36/45/35/197364535.db2.gz BFDCLBIGVOVEGG-KGLIPLIRSA-N 1 0 291.351 1.642 20 5 CDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](CO)C1 ZINC000266919997 378666964 /nfs/dbraw/zinc/66/69/64/378666964.db2.gz LPHYXYGFJLRAPX-WDEREUQCSA-N 1 0 250.298 1.970 20 5 CDBDRO CC1(C)CCC[N@H+](CCNc2ncc([N+](=O)[O-])cn2)C1 ZINC000443945381 250064663 /nfs/dbraw/zinc/06/46/63/250064663.db2.gz JMMWHDWLZYTRIZ-UHFFFAOYSA-N 1 0 279.344 1.341 20 5 CDBDRO COC[C@@H](CCO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447541590 250383749 /nfs/dbraw/zinc/38/37/49/250383749.db2.gz MZXFBXVYMXGTCF-IUODEOHRSA-N 1 0 294.351 1.959 20 5 CDBDRO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267036258 379570276 /nfs/dbraw/zinc/57/02/76/379570276.db2.gz CEGCWWQPIDATTI-MNOVXSKESA-N 1 0 268.317 1.027 20 5 CDBDRO CC[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)NC ZINC000449779603 251017325 /nfs/dbraw/zinc/01/73/25/251017325.db2.gz UFQZOPROEMBXPW-ZYHUDNBSSA-N 1 0 279.340 1.640 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000459826353 252788008 /nfs/dbraw/zinc/78/80/08/252788008.db2.gz LZELCVHQAXXMNE-QWHCGFSZSA-N 1 0 266.297 1.141 20 5 CDBDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000280948941 195042571 /nfs/dbraw/zinc/04/25/71/195042571.db2.gz JMHKLNBJTXOSQM-SNVBAGLBSA-N 1 0 298.364 1.823 20 5 CDBDRO CCOc1cc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000492720221 253280803 /nfs/dbraw/zinc/28/08/03/253280803.db2.gz HJHGRYWNMGTCMQ-ZWNOBZJWSA-N 1 0 280.324 1.806 20 5 CDBDRO O=[N+]([O-])c1ccc(CCN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000128222688 285111336 /nfs/dbraw/zinc/11/13/36/285111336.db2.gz FOKZNGBBBPLSNH-KGLIPLIRSA-N 1 0 275.352 1.964 20 5 CDBDRO CCOc1cc(C[N@@H+]2C[C@@H](O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000492766723 253290882 /nfs/dbraw/zinc/29/08/82/253290882.db2.gz GUGDMMWEYCVRJJ-PWSUYJOCSA-N 1 0 280.324 1.949 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493207089 253399913 /nfs/dbraw/zinc/39/99/13/253399913.db2.gz NSRPEXHSJVKENX-FHMRSRPSSA-N 1 0 293.298 1.567 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H](CO)C[NH+]2CCCCC2)c(F)c1 ZINC000288882653 197185189 /nfs/dbraw/zinc/18/51/89/197185189.db2.gz GTGGQIYENWKTQJ-NSHDSACASA-N 1 0 297.330 1.993 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC([C@@H]3CCOC3)CC2)c1 ZINC000372349414 285189547 /nfs/dbraw/zinc/18/95/47/285189547.db2.gz PFGWUCVKDOMPNG-CYBMUJFWSA-N 1 0 294.355 1.540 20 5 CDBDRO CC(C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)OCCO ZINC000288387507 197064968 /nfs/dbraw/zinc/06/49/68/197064968.db2.gz GOXJBIZHIVXLNJ-UHFFFAOYSA-N 1 0 268.313 1.472 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCOC1 ZINC000095015646 184915868 /nfs/dbraw/zinc/91/58/68/184915868.db2.gz BPBVVMFYEFJSKP-SNVBAGLBSA-N 1 0 252.270 1.482 20 5 CDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000106885168 390558983 /nfs/dbraw/zinc/55/89/83/390558983.db2.gz KWEIWVUMJUWFLN-CYBMUJFWSA-N 1 0 250.298 1.858 20 5 CDBDRO CC[C@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000451157123 390602047 /nfs/dbraw/zinc/60/20/47/390602047.db2.gz HBNDSZKDJUSZJI-LLVKDONJSA-N 1 0 268.313 1.806 20 5 CDBDRO O=C(CC[N@@H+]1CC[C@H](F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451203703 390604858 /nfs/dbraw/zinc/60/48/58/390604858.db2.gz ZYUMABAHLHXSMU-JTQLQIEISA-N 1 0 281.287 1.967 20 5 CDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1C[C@@H](O)C1 ZINC000420968843 390607910 /nfs/dbraw/zinc/60/79/10/390607910.db2.gz XKVPTPIQMMDMCG-XBXGTLAGSA-N 1 0 264.325 1.840 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000283561479 195878528 /nfs/dbraw/zinc/87/85/28/195878528.db2.gz ZDQCJUHKQOZXPH-QROSGCPLSA-N 1 0 263.297 1.332 20 5 CDBDRO COC1([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CCC1 ZINC000412026403 390678464 /nfs/dbraw/zinc/67/84/64/390678464.db2.gz SEWZGSISZQGEOA-NSHDSACASA-N 1 0 295.339 1.304 20 5 CDBDRO CC(C)[N@H+](CCOCCO)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339176677 390685223 /nfs/dbraw/zinc/68/52/23/390685223.db2.gz JRWLXWXPDUUHFA-UHFFFAOYSA-N 1 0 298.339 1.520 20 5 CDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000411266823 390966205 /nfs/dbraw/zinc/96/62/05/390966205.db2.gz BBOKDRDFGVVQMK-ZDUSSCGKSA-N 1 0 293.323 1.644 20 5 CDBDRO C[C@H]1C[C@H](O)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411425721 390966562 /nfs/dbraw/zinc/96/65/62/390966562.db2.gz ORMKZBCUPXJJHK-GWCFXTLKSA-N 1 0 293.323 1.379 20 5 CDBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000517082594 390968288 /nfs/dbraw/zinc/96/82/88/390968288.db2.gz ZGKGZNXEQSCJDO-SNVBAGLBSA-N 1 0 280.328 1.479 20 5 CDBDRO C[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000411774224 390968323 /nfs/dbraw/zinc/96/83/23/390968323.db2.gz UUQHAWNOYFWCSC-UWVGGRQHSA-N 1 0 286.353 1.679 20 5 CDBDRO COC1([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)CCC1 ZINC000412019934 390974689 /nfs/dbraw/zinc/97/46/89/390974689.db2.gz GYZDNPBRORXLDR-SNVBAGLBSA-N 1 0 268.317 1.339 20 5 CDBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1F)C[NH+](C)C ZINC000413306622 391195815 /nfs/dbraw/zinc/19/58/15/391195815.db2.gz WCTJNOFTQZHITP-QMMMGPOBSA-N 1 0 256.281 1.739 20 5 CDBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000449746736 391331824 /nfs/dbraw/zinc/33/18/24/391331824.db2.gz TUMDYNOWTNWQTO-MNOVXSKESA-N 1 0 263.297 1.338 20 5 CDBDRO COc1ccc(NC(=O)N2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000415434803 391432773 /nfs/dbraw/zinc/43/27/73/391432773.db2.gz ICAYYMAARCVITC-UHFFFAOYSA-N 1 0 294.311 1.431 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000415503597 391467751 /nfs/dbraw/zinc/46/77/51/391467751.db2.gz OSLHTAALMZFMTO-SECBINFHSA-N 1 0 296.327 1.723 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000415497524 391467858 /nfs/dbraw/zinc/46/78/58/391467858.db2.gz HXUZUQHVXURTLG-NSHDSACASA-N 1 0 278.312 1.762 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415628101 391469671 /nfs/dbraw/zinc/46/96/71/391469671.db2.gz DMEFVEVPWZYCJV-MRVPVSSYSA-N 1 0 282.275 1.560 20 5 CDBDRO CC1(C)C[C@H]([NH2+][C@@H]2COC[C@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000296107785 391492470 /nfs/dbraw/zinc/49/24/70/391492470.db2.gz ZHAUVEIHTPXIFC-BFHYXJOUSA-N 1 0 292.335 1.667 20 5 CDBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])c(N)c3F)C2)C1 ZINC000292278279 391589479 /nfs/dbraw/zinc/58/94/79/391589479.db2.gz LZPOTATUXLGWGM-CQSZACIVSA-N 1 0 294.330 1.848 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000053253541 391709988 /nfs/dbraw/zinc/70/99/88/391709988.db2.gz AATBMDQTNBPJFZ-VIFPVBQESA-N 1 0 283.715 1.730 20 5 CDBDRO COCCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000189866135 130032305 /nfs/dbraw/zinc/03/23/05/130032305.db2.gz PVELELMSQAMEJG-UHFFFAOYSA-N 1 0 268.313 1.426 20 5 CDBDRO O=C(NCCNc1cc[nH+]cc1)c1ccc([N+](=O)[O-])s1 ZINC000341872565 130099448 /nfs/dbraw/zinc/09/94/48/130099448.db2.gz PYPPUSSWHOIVAS-UHFFFAOYSA-N 1 0 292.320 1.315 20 5 CDBDRO CCN(CCC[NH+](C)C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000191591104 130258663 /nfs/dbraw/zinc/25/86/63/130258663.db2.gz XAFIQZAPFGDJLV-UHFFFAOYSA-N 1 0 295.343 1.795 20 5 CDBDRO [NH3+]CC1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000217482435 391909328 /nfs/dbraw/zinc/90/93/28/391909328.db2.gz XDNAZBSCBNIIJR-UTCJRWHESA-N 1 0 289.335 1.805 20 5 CDBDRO CCc1ccc(C(=O)N2CCC[C@H]2C[NH2+]C)cc1[N+](=O)[O-] ZINC000237136735 131006706 /nfs/dbraw/zinc/00/67/06/131006706.db2.gz MBEWGUIZNLAVPN-ZDUSSCGKSA-N 1 0 291.351 1.981 20 5 CDBDRO Cc1ccc(NCCCNC(=O)C(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC000237607954 131047470 /nfs/dbraw/zinc/04/74/70/131047470.db2.gz FZUUNRHBXHPTTN-UHFFFAOYSA-N 1 0 294.355 1.559 20 5 CDBDRO Cc1sc(C(=O)NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000237695652 131053284 /nfs/dbraw/zinc/05/32/84/131053284.db2.gz VGFGIVFFYDGCET-UHFFFAOYSA-N 1 0 257.315 1.432 20 5 CDBDRO Cc1c(NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000245767097 131088815 /nfs/dbraw/zinc/08/88/15/131088815.db2.gz JQKURKJZMLVDDN-ONGXEEELSA-N 1 0 295.339 1.543 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261584990 131154036 /nfs/dbraw/zinc/15/40/36/131154036.db2.gz ICIYHIILDOYYNY-WCBMZHEXSA-N 1 0 281.337 1.338 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000261581776 131154093 /nfs/dbraw/zinc/15/40/93/131154093.db2.gz GGIFRZIZJSKNGT-XLDPMVHQSA-N 1 0 266.301 1.039 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261595105 131154936 /nfs/dbraw/zinc/15/49/36/131154936.db2.gz NWTMVTMATUGPQM-RKDXNWHRSA-N 1 0 281.337 1.338 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261709613 131163617 /nfs/dbraw/zinc/16/36/17/131163617.db2.gz PBQOVZLRXBBUGC-CHWSQXEVSA-N 1 0 289.335 1.205 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261754294 131167243 /nfs/dbraw/zinc/16/72/43/131167243.db2.gz NDECUKIQMYKOHW-DGCLKSJQSA-N 1 0 275.308 1.419 20 5 CDBDRO [NH3+]C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000262597760 131238891 /nfs/dbraw/zinc/23/88/91/131238891.db2.gz ZMQBGMXTYMEDSY-NSHDSACASA-N 1 0 293.323 1.217 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000262827394 131264970 /nfs/dbraw/zinc/26/49/70/131264970.db2.gz QBFZHHJFRCSOJU-YUMQZZPRSA-N 1 0 269.326 1.384 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000262900852 131271987 /nfs/dbraw/zinc/27/19/87/131271987.db2.gz XQSKKLXZHLLROE-ZWNOBZJWSA-N 1 0 277.324 1.631 20 5 CDBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548927831 392515330 /nfs/dbraw/zinc/51/53/30/392515330.db2.gz GUBFEJCEHRYVHV-SNVBAGLBSA-N 1 0 297.359 1.558 20 5 CDBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)[C@H]1C ZINC000419376930 392891322 /nfs/dbraw/zinc/89/13/22/392891322.db2.gz UKYVUVUVUXFDJJ-WOPDTQHZSA-N 1 0 279.340 1.733 20 5 CDBDRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000419832650 392897108 /nfs/dbraw/zinc/89/71/08/392897108.db2.gz VOYFAKSLWDDUGI-TZMCWYRMSA-N 1 0 282.340 1.515 20 5 CDBDRO CCC[NH2+]CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000420213844 392905569 /nfs/dbraw/zinc/90/55/69/392905569.db2.gz IIRUUKIRXSEVPF-UHFFFAOYSA-N 1 0 275.312 1.371 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000420257315 392915317 /nfs/dbraw/zinc/91/53/17/392915317.db2.gz JWUSUKGEXNDASW-RYUDHWBXSA-N 1 0 276.340 1.652 20 5 CDBDRO C[NH2+]CCN(C)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000418084553 392876253 /nfs/dbraw/zinc/87/62/53/392876253.db2.gz VQDYLSGHDRHSCL-UHFFFAOYSA-N 1 0 280.328 1.264 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H]([NH3+])C(C)C)c(N)c([N+](=O)[O-])c1 ZINC000269279853 132148390 /nfs/dbraw/zinc/14/83/90/132148390.db2.gz QBBRJOWGTRYZCO-SNVBAGLBSA-N 1 0 280.328 1.199 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000423687705 392966949 /nfs/dbraw/zinc/96/69/49/392966949.db2.gz AFOOHWUADWEPPN-JTQLQIEISA-N 1 0 299.277 1.630 20 5 CDBDRO Cc1c(CC(=O)N(C)C2(C[NH3+])CCC2)cccc1[N+](=O)[O-] ZINC000423690799 392967112 /nfs/dbraw/zinc/96/71/12/392967112.db2.gz AEDFBVAWFMQRJT-UHFFFAOYSA-N 1 0 291.351 1.786 20 5 CDBDRO C[C@@H]1CC[C@@H]([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000429577972 393082546 /nfs/dbraw/zinc/08/25/46/393082546.db2.gz HJMDYDOMTQQDIO-NXEZZACHSA-N 1 0 252.318 1.949 20 5 CDBDRO C[C@H]1CC[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000429571998 393083251 /nfs/dbraw/zinc/08/32/51/393083251.db2.gz YJKJPVNVICOMRJ-NWDGAFQWSA-N 1 0 279.340 1.877 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000430582755 393100956 /nfs/dbraw/zinc/10/09/56/393100956.db2.gz LITMNASTDGNTBQ-GFCCVEGCSA-N 1 0 279.340 1.657 20 5 CDBDRO [NH3+][C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430620273 393102888 /nfs/dbraw/zinc/10/28/88/393102888.db2.gz BBSCPPGIBUITKH-MRVPVSSYSA-N 1 0 262.269 1.269 20 5 CDBDRO CCC[NH2+][C@H](C)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000449068349 393130074 /nfs/dbraw/zinc/13/00/74/393130074.db2.gz AWXXFXRPRWTIJS-LLVKDONJSA-N 1 0 294.355 1.511 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000449654711 393137586 /nfs/dbraw/zinc/13/75/86/393137586.db2.gz FKKFRTGECPIAFO-NSHDSACASA-N 1 0 299.277 1.251 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000449749324 393141728 /nfs/dbraw/zinc/14/17/28/393141728.db2.gz FPVQRMLDPCVRGH-GFCCVEGCSA-N 1 0 292.339 1.263 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)C[C@@H]21 ZINC000230070826 140206954 /nfs/dbraw/zinc/20/69/54/140206954.db2.gz XDUBVJPDGUSURS-LPEHRKFASA-N 1 0 295.364 1.856 20 5 CDBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]CC1 ZINC000231473181 140216370 /nfs/dbraw/zinc/21/63/70/140216370.db2.gz MDSRQTAZFKNWFW-ZDUSSCGKSA-N 1 0 291.351 1.738 20 5 CDBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC[N@@H+]1C ZINC000231677247 140217656 /nfs/dbraw/zinc/21/76/56/140217656.db2.gz DDBCZSOFWFNCRK-KOLCDFICSA-N 1 0 293.323 1.513 20 5 CDBDRO [NH3+]CCCCNc1c(Br)cncc1[N+](=O)[O-] ZINC000236213765 140238859 /nfs/dbraw/zinc/23/88/59/140238859.db2.gz BCZNOHHCOFMZFP-UHFFFAOYSA-N 1 0 289.133 1.903 20 5 CDBDRO COC[C@]1(CNc2ncccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261583341 140355979 /nfs/dbraw/zinc/35/59/79/140355979.db2.gz HGOVKHQWNLPPLI-GFCCVEGCSA-N 1 0 266.301 1.170 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000261621055 140364396 /nfs/dbraw/zinc/36/43/96/140364396.db2.gz GKERLTIHJCQYOI-CHWSQXEVSA-N 1 0 289.335 1.585 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000261643379 140367839 /nfs/dbraw/zinc/36/78/39/140367839.db2.gz XEJZOUQJLCIKJR-ZDUSSCGKSA-N 1 0 263.297 1.406 20 5 CDBDRO COCC1(CNc2cc(C)c([N+](=O)[O-])cn2)CC[NH2+]CC1 ZINC000261661344 140370733 /nfs/dbraw/zinc/37/07/33/140370733.db2.gz KOIYKLQUBZQTEK-UHFFFAOYSA-N 1 0 294.355 1.726 20 5 CDBDRO C[C@H]([NH3+])CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000261781846 140388188 /nfs/dbraw/zinc/38/81/88/140388188.db2.gz BKFDQNDYUBABCZ-ZETCQYMHSA-N 1 0 271.704 1.602 20 5 CDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000261800338 140390853 /nfs/dbraw/zinc/39/08/53/140390853.db2.gz VVQJNRVQLRLPHM-CYBMUJFWSA-N 1 0 291.351 1.642 20 5 CDBDRO C[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000101522537 147135393 /nfs/dbraw/zinc/13/53/93/147135393.db2.gz GWYZVBDKGMNSBK-UHFFFAOYSA-N 1 0 295.314 1.806 20 5 CDBDRO CCCC[C@H](C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352397428 155158009 /nfs/dbraw/zinc/15/80/09/155158009.db2.gz JRSPSSMDKRWBSV-AAEUAGOBSA-N 1 0 284.360 1.663 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000262083573 149011872 /nfs/dbraw/zinc/01/18/72/149011872.db2.gz QSJKSJJXYTWZJE-ZJUUUORDSA-N 1 0 299.352 1.143 20 5 CDBDRO C[C@H]1[C@@H](Nc2ncccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343571684 152228683 /nfs/dbraw/zinc/22/86/83/152228683.db2.gz ZXDSEHXYCOFGHG-UWVGGRQHSA-N 1 0 250.302 1.884 20 5 CDBDRO CCC[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000343970790 152374357 /nfs/dbraw/zinc/37/43/57/152374357.db2.gz IQKQAURIKUSQEZ-JTQLQIEISA-N 1 0 265.317 1.093 20 5 CDBDRO COc1ccc(OCCN2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000346104320 153053833 /nfs/dbraw/zinc/05/38/33/153053833.db2.gz WPGMRNDWFGWTKC-LLVKDONJSA-N 1 0 295.339 1.405 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000346133268 153064484 /nfs/dbraw/zinc/06/44/84/153064484.db2.gz AXUPUGXNQZQUFL-SNVBAGLBSA-N 1 0 265.313 1.204 20 5 CDBDRO Cc1cc(C(=O)N[C@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000346226202 153104644 /nfs/dbraw/zinc/10/46/44/153104644.db2.gz PCTDFRYWDWPFMD-SNVBAGLBSA-N 1 0 265.313 1.583 20 5 CDBDRO Cn1c(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000347039475 153388092 /nfs/dbraw/zinc/38/80/92/153388092.db2.gz HCTMXRDUNRVWFL-LLVKDONJSA-N 1 0 294.355 1.490 20 5 CDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000354019633 156229680 /nfs/dbraw/zinc/22/96/80/156229680.db2.gz JNQJRYGRHWMHBE-SECBINFHSA-N 1 0 267.285 1.354 20 5 CDBDRO Cc1[nH+]ccc(NCCn2cc([N+](=O)[O-])cn2)c1Cl ZINC000354166647 156302497 /nfs/dbraw/zinc/30/24/97/156302497.db2.gz XMSCQMJFXLITRS-UHFFFAOYSA-N 1 0 281.703 1.682 20 5 CDBDRO C[C@H]1C[C@H](C)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000354218932 156331495 /nfs/dbraw/zinc/33/14/95/156331495.db2.gz BYQYPYIFJLMJPO-UWVGGRQHSA-N 1 0 277.324 1.924 20 5 CDBDRO Cc1nn(C)c(N(C)CCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000358677076 157988110 /nfs/dbraw/zinc/98/81/10/157988110.db2.gz KRMFIVYWBROZSA-UHFFFAOYSA-N 1 0 281.360 1.559 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000359553247 158285036 /nfs/dbraw/zinc/28/50/36/158285036.db2.gz RNIMBWAORQMZEA-UHFFFAOYSA-N 1 0 269.276 1.368 20 5 CDBDRO CO[C@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000361752320 158978358 /nfs/dbraw/zinc/97/83/58/158978358.db2.gz WQOWAZWTVXSDKZ-NEPJUHHUSA-N 1 0 268.317 1.339 20 5 CDBDRO COc1ccc(C(=O)N2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000036753362 172677703 /nfs/dbraw/zinc/67/77/03/172677703.db2.gz CIEWSVAYQDZZLO-UHFFFAOYSA-N 1 0 279.296 1.167 20 5 CDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000285600960 196338784 /nfs/dbraw/zinc/33/87/84/196338784.db2.gz BQAZFRQCNHAGNI-VIFPVBQESA-N 1 0 280.328 1.280 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000040595935 174348758 /nfs/dbraw/zinc/34/87/58/174348758.db2.gz XJZVMXFMYHBXIF-GFCCVEGCSA-N 1 0 291.351 1.975 20 5 CDBDRO [NH3+]CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000041043361 174463730 /nfs/dbraw/zinc/46/37/30/174463730.db2.gz CBSUQSIXIAKFSA-UHFFFAOYSA-N 1 0 261.079 1.123 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000044501862 175185841 /nfs/dbraw/zinc/18/58/41/175185841.db2.gz KDJWTYXDWTXECN-VIFPVBQESA-N 1 0 297.742 1.978 20 5 CDBDRO Cc1cccc(C(=O)NCC2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000044503537 175186774 /nfs/dbraw/zinc/18/67/74/175186774.db2.gz JQSCAWLQWKVOMQ-UHFFFAOYSA-N 1 0 277.324 1.633 20 5 CDBDRO COc1ccc(C(=O)N2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000044513012 175188647 /nfs/dbraw/zinc/18/86/47/175188647.db2.gz JLEJJIWYVOTBSL-UHFFFAOYSA-N 1 0 293.323 1.414 20 5 CDBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000044526244 175191550 /nfs/dbraw/zinc/19/15/50/175191550.db2.gz KCJGUMASOOJTGK-UHFFFAOYSA-N 1 0 291.311 1.885 20 5 CDBDRO Cc1ccnc(NC[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000070496559 175957334 /nfs/dbraw/zinc/95/73/34/175957334.db2.gz CPOXKFJVTNIZEX-JTQLQIEISA-N 1 0 250.302 1.710 20 5 CDBDRO CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000071312639 176119117 /nfs/dbraw/zinc/11/91/17/176119117.db2.gz DRHRTGKOWLPDHS-ZDUSSCGKSA-N 1 0 277.324 1.348 20 5 CDBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000289864364 287317091 /nfs/dbraw/zinc/31/70/91/287317091.db2.gz GRZZHXGSBVRTFY-JQWIXIFHSA-N 1 0 289.335 1.872 20 5 CDBDRO Cc1c(CNC(=O)NC[C@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000418080299 228014471 /nfs/dbraw/zinc/01/44/71/228014471.db2.gz MBSBZNLCJLLTCU-LBPRGKRZSA-N 1 0 294.355 1.686 20 5 CDBDRO CON1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000323075259 260170004 /nfs/dbraw/zinc/17/00/04/260170004.db2.gz RGYKJODHEUAWFD-UHFFFAOYSA-N 1 0 265.313 1.710 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000313319996 260283773 /nfs/dbraw/zinc/28/37/73/260283773.db2.gz CUDKGASGIWHMML-SWQGKHDCSA-N 1 0 289.335 1.804 20 5 CDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000104673755 270236135 /nfs/dbraw/zinc/23/61/35/270236135.db2.gz IGCKALXTNPMFGU-WAYWQWQTSA-N 1 0 261.281 1.040 20 5 CDBDRO COc1cc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c([N+](=O)[O-])cc1O ZINC000189338915 270276684 /nfs/dbraw/zinc/27/66/84/270276684.db2.gz DIWSEUCUDKLDRU-QWHCGFSZSA-N 1 0 296.323 1.558 20 5 CDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000524720980 270601512 /nfs/dbraw/zinc/60/15/12/270601512.db2.gz UQXMOGLSLZQLBL-NSHDSACASA-N 1 0 277.324 1.666 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856134 273963228 /nfs/dbraw/zinc/96/32/28/273963228.db2.gz HJVCHRKVRWDMAF-SECBINFHSA-N 1 0 265.313 1.375 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1C[NH3+] ZINC000163606924 274299871 /nfs/dbraw/zinc/29/98/71/274299871.db2.gz SYSDDADZQFTFBK-RKDXNWHRSA-N 1 0 267.285 1.245 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000186696034 274306377 /nfs/dbraw/zinc/30/63/77/274306377.db2.gz ULXRDGGVLABGFP-PELKAZGASA-N 1 0 281.287 1.462 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000261581774 274309271 /nfs/dbraw/zinc/30/92/71/274309271.db2.gz GGIFRZIZJSKNGT-SOCHQFKDSA-N 1 0 266.301 1.039 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423523595 274476627 /nfs/dbraw/zinc/47/66/27/274476627.db2.gz YTIPXOBTWFFEHI-SECBINFHSA-N 1 0 288.307 1.610 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@H]3C[NH+](C)C[C@@H]3C2)c1 ZINC000362654758 274762951 /nfs/dbraw/zinc/76/29/51/274762951.db2.gz GQYGNMZHQKRMMY-VXGBXAGGSA-N 1 0 261.325 1.901 20 5 CDBDRO Cc1nc(N2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000261613711 274842731 /nfs/dbraw/zinc/84/27/31/274842731.db2.gz SWPJIPMINRXWLF-WDEREUQCSA-N 1 0 262.313 1.486 20 5 CDBDRO Cc1nc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000297629609 274842882 /nfs/dbraw/zinc/84/28/82/274842882.db2.gz WYQFUGTYZYKTRQ-KCJUWKMLSA-N 1 0 265.317 1.080 20 5 CDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[NH2+]CC2)s1 ZINC000261559602 275034064 /nfs/dbraw/zinc/03/40/64/275034064.db2.gz DUDUQDDUMVVVQU-UHFFFAOYSA-N 1 0 265.298 1.009 20 5 CDBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@H]3CCOC3)CC2)nc1 ZINC000368187789 275041190 /nfs/dbraw/zinc/04/11/90/275041190.db2.gz ITYJBRLBFJVVOW-NSHDSACASA-N 1 0 293.327 1.050 20 5 CDBDRO CN(C)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000330708350 276791034 /nfs/dbraw/zinc/79/10/34/276791034.db2.gz VOUFVGOPBDXBIA-NEPJUHHUSA-N 1 0 281.360 1.426 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000122586397 277285207 /nfs/dbraw/zinc/28/52/07/277285207.db2.gz AOFZNRSKGVRYQO-MRVPVSSYSA-N 1 0 253.258 1.012 20 5 CDBDRO NC(=O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000048544745 279158444 /nfs/dbraw/zinc/15/84/44/279158444.db2.gz ZLSJAFGKZYIMNV-UHFFFAOYSA-N 1 0 277.324 1.335 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000347678237 279296759 /nfs/dbraw/zinc/29/67/59/279296759.db2.gz XJIRPTNAXZDHSE-RKDXNWHRSA-N 1 0 283.353 1.539 20 5 CDBDRO Cc1ccn(CC[NH+]2CCCCC2)c(=O)c1[N+](=O)[O-] ZINC000129545815 279606193 /nfs/dbraw/zinc/60/61/93/279606193.db2.gz XVCOAROBLNQCCJ-UHFFFAOYSA-N 1 0 265.313 1.551 20 5 CDBDRO C[NH+](C)CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000183850948 279910621 /nfs/dbraw/zinc/91/06/21/279910621.db2.gz WKMWNVMYVAAIOH-UHFFFAOYSA-N 1 0 271.704 1.426 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCCC1 ZINC000195328746 280078740 /nfs/dbraw/zinc/07/87/40/280078740.db2.gz LKXWJGLHDOKUCS-UHFFFAOYSA-N 1 0 277.324 1.729 20 5 CDBDRO CCC[NH2+]CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000211571892 280086581 /nfs/dbraw/zinc/08/65/81/280086581.db2.gz NGXKNGPZSJNINA-YVMONPNESA-N 1 0 277.324 1.724 20 5 CDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N[C@H]1CCC[NH2+]C1 ZINC000214333446 280087346 /nfs/dbraw/zinc/08/73/46/280087346.db2.gz ALNPZNLBRQNNEM-KRZKBDHCSA-N 1 0 275.308 1.476 20 5 CDBDRO O=[N+]([O-])c1c(N2CC[C@@]3(CC[NH2+]C3)C2)nc2sccn21 ZINC000261672284 280535504 /nfs/dbraw/zinc/53/55/04/280535504.db2.gz FYKTXFZIFPCFTQ-GFCCVEGCSA-N 1 0 293.352 1.494 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261588784 280665265 /nfs/dbraw/zinc/66/52/65/280665265.db2.gz KKFIMRIZCYJWLA-CYBMUJFWSA-N 1 0 262.313 1.488 20 5 CDBDRO Cc1cnc(N[C@@H]2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000090692693 281629984 /nfs/dbraw/zinc/62/99/84/281629984.db2.gz GMXPJLGZVBFBAC-NXEZZACHSA-N 1 0 250.302 1.838 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000531389723 281759500 /nfs/dbraw/zinc/75/95/00/281759500.db2.gz ZEEPNZLTOVLIJC-QWRGUYRKSA-N 1 0 294.355 1.536 20 5 CDBDRO C[C@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+]1CC(C)C1 ZINC000561337193 293079505 /nfs/dbraw/zinc/07/95/05/293079505.db2.gz LQWGKJBNIBBCKV-GFCCVEGCSA-N 1 0 291.351 1.594 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCSC1 ZINC000562990425 293236254 /nfs/dbraw/zinc/23/62/54/293236254.db2.gz YBRJSLQHXNUHPG-MNOVXSKESA-N 1 0 298.364 1.430 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000275115025 300003847 /nfs/dbraw/zinc/00/38/47/300003847.db2.gz HLZFVJVREZWEGU-GZMMTYOYSA-N 1 0 297.742 1.976 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]([NH3+])C1 ZINC000035347136 302043467 /nfs/dbraw/zinc/04/34/67/302043467.db2.gz AUIDNCSMQYISDU-JTQLQIEISA-N 1 0 299.352 1.015 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000044540714 303395705 /nfs/dbraw/zinc/39/57/05/303395705.db2.gz JMFHZGAWANRXQY-JTQLQIEISA-N 1 0 281.287 1.687 20 5 CDBDRO Cc1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000417938549 533696521 /nfs/dbraw/zinc/69/65/21/533696521.db2.gz IYSDFWDTWAESTD-UHFFFAOYSA-N 1 0 274.324 1.969 20 5 CDBDRO O=c1c(F)cc([N+](=O)[O-])cn1CC[C@@H]1CCC[NH2+]C1 ZINC000566183060 316504619 /nfs/dbraw/zinc/50/46/19/316504619.db2.gz AIGAGWOIMSIXMV-VIFPVBQESA-N 1 0 269.276 1.285 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000576911910 317229182 /nfs/dbraw/zinc/22/91/82/317229182.db2.gz PRIJJBGWQASFBM-WDEREUQCSA-N 1 0 279.344 1.260 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000577652293 317378616 /nfs/dbraw/zinc/37/86/16/317378616.db2.gz HCVLIUJPSCTRRS-UWVGGRQHSA-N 1 0 281.360 1.648 20 5 CDBDRO COCC(COC)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000388414558 323790364 /nfs/dbraw/zinc/79/03/64/323790364.db2.gz AGKVWVZYVGYKKB-JTQLQIEISA-N 1 0 268.313 1.907 20 5 CDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000580172185 324387441 /nfs/dbraw/zinc/38/74/41/324387441.db2.gz STGBWOWVNWNAFG-YPMHNXCESA-N 1 0 290.323 1.098 20 5 CDBDRO [NH3+]C[C@H]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000581000862 324620321 /nfs/dbraw/zinc/62/03/21/324620321.db2.gz HHRRGPUHIHEWFL-GFCCVEGCSA-N 1 0 292.339 1.475 20 5 CDBDRO CC[NH2+]CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000582606578 325007680 /nfs/dbraw/zinc/00/76/80/325007680.db2.gz OVJSFWJTIBIBFQ-UHFFFAOYSA-N 1 0 299.758 1.907 20 5 CDBDRO CC[NH2+]CCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414831433 535477136 /nfs/dbraw/zinc/47/71/36/535477136.db2.gz PIRJAYKZEQWZHB-UHFFFAOYSA-N 1 0 289.282 1.895 20 5 CDBDRO CC(C)C(=O)NC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169030370 1161998437 /nfs/dbraw/zinc/99/84/37/1161998437.db2.gz ZBWPJDRNORFMAL-TZMCWYRMSA-N 1 0 297.399 1.668 20 5 CDBDRO C[C@@H](CNc1c(F)cccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000287690772 534086630 /nfs/dbraw/zinc/08/66/30/534086630.db2.gz DNBBFBXZQPIYDF-NSHDSACASA-N 1 0 296.346 1.782 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2C)C1 ZINC000052813020 522047377 /nfs/dbraw/zinc/04/73/77/522047377.db2.gz BZMHAJPHBYTDBN-NSHDSACASA-N 1 0 264.329 1.734 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000148814693 522071235 /nfs/dbraw/zinc/07/12/35/522071235.db2.gz UKZJZFZCWNHVJX-QMMMGPOBSA-N 1 0 269.276 1.319 20 5 CDBDRO COc1cc(N2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000227076316 522636669 /nfs/dbraw/zinc/63/66/69/522636669.db2.gz ZLBHMWRJAYSOAJ-GXSJLCMTSA-N 1 0 265.313 1.777 20 5 CDBDRO COCCN(C)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000061376245 523606841 /nfs/dbraw/zinc/60/68/41/523606841.db2.gz QWLOFPQPBSQCLX-LBPRGKRZSA-N 1 0 281.356 1.824 20 5 CDBDRO CO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000226410054 523687566 /nfs/dbraw/zinc/68/75/66/523687566.db2.gz TURLABUEUOQPLW-ZIAGYGMSSA-N 1 0 279.340 1.533 20 5 CDBDRO CO[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000226412015 523688880 /nfs/dbraw/zinc/68/88/80/523688880.db2.gz TWQNXOYZCPTXAF-CHWSQXEVSA-N 1 0 279.340 1.533 20 5 CDBDRO C[C@@H](CCC1CC1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000186424215 524449689 /nfs/dbraw/zinc/44/96/89/524449689.db2.gz AZSDTYYAWVXJLF-JTQLQIEISA-N 1 0 252.318 1.960 20 5 CDBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000245660359 524616057 /nfs/dbraw/zinc/61/60/57/524616057.db2.gz HHXRERKSLXBXAN-UWVGGRQHSA-N 1 0 295.343 1.168 20 5 CDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCC[NH2+]C1 ZINC000050162348 525219647 /nfs/dbraw/zinc/21/96/47/525219647.db2.gz SWXKRWZMTCVSGA-IUCAKERBSA-N 1 0 266.301 1.041 20 5 CDBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235431910 525271745 /nfs/dbraw/zinc/27/17/45/525271745.db2.gz AQNXCJJIPLGKIY-ZJUUUORDSA-N 1 0 299.352 1.014 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050246155 527216610 /nfs/dbraw/zinc/21/66/10/527216610.db2.gz INWRDRAKHJSGAU-QMMMGPOBSA-N 1 0 283.715 1.669 20 5 CDBDRO Cc1nn(C)c(N2CCC([C@H]3CCC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC000063201115 527675985 /nfs/dbraw/zinc/67/59/85/527675985.db2.gz SHGIOFDEMWGPDH-GFCCVEGCSA-N 1 0 293.371 1.605 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000307916892 527791044 /nfs/dbraw/zinc/79/10/44/527791044.db2.gz YUCDMRMSSQOXPO-GWJCSSMESA-N 1 0 289.335 1.865 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000422696465 535425885 /nfs/dbraw/zinc/42/58/85/535425885.db2.gz XHLMDRPBVSHJKZ-JTQLQIEISA-N 1 0 293.323 1.557 20 5 CDBDRO CCc1nn(C)c(NC[C@H](C)C[NH2+]C)c1[N+](=O)[O-] ZINC000129511988 536182088 /nfs/dbraw/zinc/18/20/88/536182088.db2.gz XFSNQUJKKDPESV-MRVPVSSYSA-N 1 0 255.322 1.158 20 5 CDBDRO COc1cc(N2C[C@@H](C[NH3+])C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000261650904 536832310 /nfs/dbraw/zinc/83/23/10/536832310.db2.gz RRSXVYVZVJLTGQ-RKDXNWHRSA-N 1 0 283.303 1.916 20 5 CDBDRO COc1ccc(C[NH2+]C[C@@H](C)OC)cc1[N+](=O)[O-] ZINC000191221294 536893075 /nfs/dbraw/zinc/89/30/75/536893075.db2.gz OGKBHQWYWSGJHJ-SECBINFHSA-N 1 0 254.286 1.728 20 5 CDBDRO C[NH+](C)[C@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000729841876 574825549 /nfs/dbraw/zinc/82/55/49/574825549.db2.gz NQBWFONIMPPQLN-CYBMUJFWSA-N 1 0 295.314 1.804 20 5 CDBDRO Cc1c(C[NH2+][C@H](CO)C2CC2)cccc1[N+](=O)[O-] ZINC000763070418 576708621 /nfs/dbraw/zinc/70/86/21/576708621.db2.gz PPCOYGLVZLSQQM-GFCCVEGCSA-N 1 0 250.298 1.764 20 5 CDBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1 ZINC000776591995 617685575 /nfs/dbraw/zinc/68/55/75/617685575.db2.gz NXBQUGCHUYMRAL-RISCZKNCSA-N 1 0 280.324 1.597 20 5 CDBDRO C[C@H]1C[C@H](Nc2c([N+](=O)[O-])cnn2C)C[N@@H+]1C1CC1 ZINC000892875635 617852775 /nfs/dbraw/zinc/85/27/75/617852775.db2.gz HHEPYFUTWGSHJL-IUCAKERBSA-N 1 0 265.317 1.365 20 5 CDBDRO C[NH+](C)[C@@H](CNc1ccc2nonc2c1[N+](=O)[O-])C1CC1 ZINC000892344828 617955703 /nfs/dbraw/zinc/95/57/03/617955703.db2.gz GPSBLUUNKOHZKZ-NSHDSACASA-N 1 0 291.311 1.883 20 5 CDBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H]2CCO)c1[N+](=O)[O-] ZINC000893718599 617966402 /nfs/dbraw/zinc/96/64/02/617966402.db2.gz UJKRDEIBLLHPIO-NSHDSACASA-N 1 0 296.323 1.656 20 5 CDBDRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000893007027 618051794 /nfs/dbraw/zinc/05/17/94/618051794.db2.gz FTKAHWIKHSNQMX-FDYHWXHSSA-N 1 0 283.372 1.373 20 5 CDBDRO C[C@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[N@@H+](C2CC2)C1 ZINC000893999660 618241657 /nfs/dbraw/zinc/24/16/57/618241657.db2.gz JODJNWXNKVCWAR-SNVBAGLBSA-N 1 0 279.344 1.249 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@H](C)[C@@H](C)OC)c1[N+](=O)[O-] ZINC000894551911 618961000 /nfs/dbraw/zinc/96/10/00/618961000.db2.gz BBVUHASBQPGFLC-RKDXNWHRSA-N 1 0 284.312 1.822 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@H]2COCO2)cc1[N+](=O)[O-] ZINC000894871750 619112454 /nfs/dbraw/zinc/11/24/54/619112454.db2.gz WNNGSOXYSNYCLT-NSHDSACASA-N 1 0 252.270 1.366 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2COCO2)cc1 ZINC000894880343 619116518 /nfs/dbraw/zinc/11/65/18/619116518.db2.gz CAFJVJCEHKVJJG-GFCCVEGCSA-N 1 0 252.270 1.100 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2c1ncc([N+](=O)[O-])cn1 ZINC000895193030 619444790 /nfs/dbraw/zinc/44/47/90/619444790.db2.gz QWUBTRPHAYBQFY-VHSXEESVSA-N 1 0 263.301 1.058 20 5 CDBDRO COC(=O)Cc1ccc(NC[C@H]2CC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000895769967 619836290 /nfs/dbraw/zinc/83/62/90/619836290.db2.gz XDNJFHAFUJFTMK-LLVKDONJSA-N 1 0 293.323 1.426 20 5 CDBDRO C[C@@H]1COC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000925194827 620545979 /nfs/dbraw/zinc/54/59/79/620545979.db2.gz PXNFOSYUVITEKL-KOLCDFICSA-N 1 0 279.296 1.158 20 5 CDBDRO CCOc1ccc([C@H](C)[NH2+]CCCON)cc1[N+](=O)[O-] ZINC000902423797 624793154 /nfs/dbraw/zinc/79/31/54/624793154.db2.gz IKVLQWCALMNYQQ-JTQLQIEISA-N 1 0 283.328 1.925 20 5 CDBDRO Cc1ccc([C@@H](C[NH2+]CC[N+](=O)[O-])N(C)C)cc1 ZINC000905066490 626613798 /nfs/dbraw/zinc/61/37/98/626613798.db2.gz SAUMNQIEOAKHNE-CYBMUJFWSA-N 1 0 251.330 1.464 20 5 CDBDRO CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905194261 626670675 /nfs/dbraw/zinc/67/06/75/626670675.db2.gz ISSVDZNVJGXRDR-BXKDBHETSA-N 1 0 256.277 1.768 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC000905175938 626679951 /nfs/dbraw/zinc/67/99/51/626679951.db2.gz OSFGSPYGCGAZOZ-SNVBAGLBSA-N 1 0 252.270 1.083 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000905215775 626696028 /nfs/dbraw/zinc/69/60/28/626696028.db2.gz OPYWZJDCUBKRGI-CHWSQXEVSA-N 1 0 250.298 1.773 20 5 CDBDRO C[NH+](C)CCCOc1ccc(NCC[N+](=O)[O-])cc1 ZINC000905317400 626746010 /nfs/dbraw/zinc/74/60/10/626746010.db2.gz BQYHZPLKAPGSOU-UHFFFAOYSA-N 1 0 267.329 1.706 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905381553 626777679 /nfs/dbraw/zinc/77/76/79/626777679.db2.gz NJJHYJTZGHCMOJ-JTQLQIEISA-N 1 0 279.123 1.893 20 5 CDBDRO CN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000911788922 629513682 /nfs/dbraw/zinc/51/36/82/629513682.db2.gz TVBUUYFNWMUXGW-HZSPNIEDSA-N 1 0 289.335 1.519 20 5 CDBDRO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000911811349 629542894 /nfs/dbraw/zinc/54/28/94/629542894.db2.gz OEKQEMDBERPGGO-DDTOSNHZSA-N 1 0 289.335 1.519 20 5 CDBDRO Cc1nn(C)c(C(=O)OCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000919976145 632702516 /nfs/dbraw/zinc/70/25/16/632702516.db2.gz GCGDBSORDNJXDR-UHFFFAOYSA-N 1 0 296.327 1.279 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2COC(=O)C2)c([N+](=O)[O-])c1 ZINC001170304957 1162329071 /nfs/dbraw/zinc/32/90/71/1162329071.db2.gz IMSGXMKUELPZQB-KOLCDFICSA-N 1 0 294.307 1.440 20 5 CDBDRO COc1ccc(C[C@@H](C)[N@@H+]2C[C@@H](O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170329771 1162338403 /nfs/dbraw/zinc/33/84/03/1162338403.db2.gz UCAOFXHAQCPGSH-WZRBSPASSA-N 1 0 294.351 1.990 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]C2CC(=O)C2)c([N+](=O)[O-])c1 ZINC001170308727 1162339963 /nfs/dbraw/zinc/33/99/63/1162339963.db2.gz OFCXKAOQHGKJQS-SECBINFHSA-N 1 0 278.308 1.856 20 5 CDBDRO CCOC(=O)C1=C(Nc2cccnc2[N+](=O)[O-])CC[NH2+]C1 ZINC001170516806 1162729196 /nfs/dbraw/zinc/72/91/96/1162729196.db2.gz YTSBAIWVVTVCPO-UHFFFAOYSA-N 1 0 292.295 1.212 20 5 CDBDRO CCN(c1nc(C)cc(OC)c1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC001158204407 1162781018 /nfs/dbraw/zinc/78/10/18/1162781018.db2.gz FOXVZOXOURCIOS-NSHDSACASA-N 1 0 294.355 1.885 20 5 CDBDRO COc1c(F)cc(N[C@@H](C)[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC001170570202 1162955832 /nfs/dbraw/zinc/95/58/32/1162955832.db2.gz UMXUWYCWOWNUKF-QPUJVOFHSA-N 1 0 299.302 1.531 20 5 CDBDRO Cc1nccn1CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967484 1161996023 /nfs/dbraw/zinc/99/60/23/1161996023.db2.gz PXOPHVBJYAADTL-VXGBXAGGSA-N 1 0 252.318 1.227 20 5 CDBDRO O=C(CN[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)OCc1ccccc1 ZINC001168966807 1161996178 /nfs/dbraw/zinc/99/61/78/1161996178.db2.gz LGGGGFCPJJTWNH-ZIAGYGMSSA-N 1 0 292.335 1.765 20 5 CDBDRO CC(C)[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)NC(C)(C)C ZINC001168999377 1161996985 /nfs/dbraw/zinc/99/69/85/1161996985.db2.gz SLKKUYUBFMESPF-XQQFMLRXSA-N 1 0 299.415 1.961 20 5 CDBDRO Cc1cnc(C[NH3+])n1-c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1C ZINC001169029781 1161997877 /nfs/dbraw/zinc/99/78/77/1161997877.db2.gz XQFBVYZXEPVAOE-UHFFFAOYSA-N 1 0 291.267 1.764 20 5 CDBDRO O=[N+]([O-])c1c(N[C@@H]2C[NH2+]C[C@@H]2CO)ccc2cnccc21 ZINC001170780592 1164118341 /nfs/dbraw/zinc/11/83/41/1164118341.db2.gz HJHLWEYMIRDIBC-ZWNOBZJWSA-N 1 0 288.307 1.135 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ccnc1N[C@H]1COCCC12C[NH2+]C2 ZINC001155463016 1167180211 /nfs/dbraw/zinc/18/02/11/1167180211.db2.gz VNBXOWJROKCIND-VIFPVBQESA-N 1 0 298.730 1.434 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1NC(=O)CC1([NH3+])CCC1 ZINC001579179951 1172111096 /nfs/dbraw/zinc/11/10/96/1172111096.db2.gz JUBNCJAPOBXGNF-UHFFFAOYSA-N 1 0 280.284 1.208 20 5 CDBDRO Cc1ccc(NC(=O)N[C@@H]2C[NH2+]CC23CC3)cc1[N+](=O)[O-] ZINC001579719864 1172246799 /nfs/dbraw/zinc/24/67/99/1172246799.db2.gz QAISDIGPBFXSIT-GFCCVEGCSA-N 1 0 290.323 1.777 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000089108570 1173983644 /nfs/dbraw/zinc/98/36/44/1173983644.db2.gz IATWQXQHSWWQDI-SCZZXKLOSA-N 1 0 251.290 1.314 20 5 CDBDRO CN(CC(C)(C)C[NH2+]CCC1CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001755280724 1185887652 /nfs/dbraw/zinc/88/76/52/1185887652.db2.gz OAISSPWZYOGOOC-CHWSQXEVSA-N 1 0 297.399 1.526 20 5 CDBDRO CC(C)C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2N)CC1 ZINC001164657207 719337014 /nfs/dbraw/zinc/33/70/14/719337014.db2.gz BYIITMRNJDIHJL-UHFFFAOYSA-N 1 0 279.344 1.350 20 5 CDBDRO CC[C@H](C)NC(=[NH2+])NCCNc1ccc([N+](=O)[O-])cc1 ZINC000848982738 818011429 /nfs/dbraw/zinc/01/14/29/818011429.db2.gz IVMSKWUWZPKAMP-JTQLQIEISA-N 1 0 279.344 1.919 20 5 CDBDRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1cccnc1[N+](=O)[O-])C2 ZINC000886841102 818024217 /nfs/dbraw/zinc/02/42/17/818024217.db2.gz CACAGRLXCFICLS-DGCLKSJQSA-N 1 0 262.313 1.303 20 5 CDBDRO CC[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)OC ZINC000312018821 818026549 /nfs/dbraw/zinc/02/65/49/818026549.db2.gz YEQVJKBMGQGDLP-OLZOCXBDSA-N 1 0 268.313 1.643 20 5 CDBDRO COC(=O)C1CC([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000877721683 818064187 /nfs/dbraw/zinc/06/41/87/818064187.db2.gz YPAFBRWTJMNYAK-UHFFFAOYSA-N 1 0 264.281 1.636 20 5 CDBDRO C[C@H]1[NH2+]CC[C@@H]1c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000822862515 818117436 /nfs/dbraw/zinc/11/74/36/818117436.db2.gz JUZFGOZVXFEYJV-KCJUWKMLSA-N 1 0 289.295 1.429 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000931040154 818149158 /nfs/dbraw/zinc/14/91/58/818149158.db2.gz ASWXDTIFBLROJG-DOMZBBRYSA-N 1 0 293.367 1.998 20 5 CDBDRO CC1(C)C[NH2+]C[C@H]1Nc1c(Cl)cncc1[N+](=O)[O-] ZINC000721890872 818155890 /nfs/dbraw/zinc/15/58/90/818155890.db2.gz USUGTMLPHSXYFR-SECBINFHSA-N 1 0 270.720 1.475 20 5 CDBDRO COc1cc(C[NH2+]CC[C@H]2CCCO2)c([N+](=O)[O-])cc1O ZINC000886315418 818226469 /nfs/dbraw/zinc/22/64/69/818226469.db2.gz LLIKJXMJZORHGK-LLVKDONJSA-N 1 0 296.323 1.968 20 5 CDBDRO CC(C)(C)OC(=O)NC[C@](C)([NH2+]CC[N+](=O)[O-])C1CC1 ZINC000791053186 818257667 /nfs/dbraw/zinc/25/76/67/818257667.db2.gz BKHMHRUANXIBGX-ZDUSSCGKSA-N 1 0 287.360 1.546 20 5 CDBDRO Cc1c(C[NH2+][C@@H](C)CN(C)C)cccc1[N+](=O)[O-] ZINC000168873297 818278433 /nfs/dbraw/zinc/27/84/33/818278433.db2.gz BYXDJHFIQFAFSY-JTQLQIEISA-N 1 0 251.330 1.943 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000237657613 818348446 /nfs/dbraw/zinc/34/84/46/818348446.db2.gz KSSZJUAVACXJRU-UHFFFAOYSA-N 1 0 267.260 1.088 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876527135 818356412 /nfs/dbraw/zinc/35/64/12/818356412.db2.gz TYGLFCWWBNTRKZ-GFCCVEGCSA-N 1 0 291.351 1.893 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923294009 818416256 /nfs/dbraw/zinc/41/62/56/818416256.db2.gz BZTDIRFMOPPIGU-UONOGXRCSA-N 1 0 279.340 1.312 20 5 CDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000223077496 818423949 /nfs/dbraw/zinc/42/39/49/818423949.db2.gz BERKNSYPHHLBIU-SCDSUCTJSA-N 1 0 280.324 1.785 20 5 CDBDRO C[NH2+][C@H]1CCCN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000124105185 818469635 /nfs/dbraw/zinc/46/96/35/818469635.db2.gz YZGODSKLGRAIRW-JTQLQIEISA-N 1 0 250.302 1.486 20 5 CDBDRO C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850516436 818590103 /nfs/dbraw/zinc/59/01/03/818590103.db2.gz VOPWJZNLIVPCIX-ZJUUUORDSA-N 1 0 279.340 1.989 20 5 CDBDRO C[C@@H](N[C@@H]1CC[NH2+]C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817945117 818637342 /nfs/dbraw/zinc/63/73/42/818637342.db2.gz UNJSCWVQAZZLCI-PSASIEDQSA-N 1 0 250.302 1.190 20 5 CDBDRO C[C@@H]1C[C@H]1CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870865641 818717986 /nfs/dbraw/zinc/71/79/86/818717986.db2.gz AURGIUIJBLTOLF-BFVZDQMLSA-N 1 0 277.324 1.541 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000839191819 818736297 /nfs/dbraw/zinc/73/62/97/818736297.db2.gz GAVNQBMTSSDKHX-CMPLNLGQSA-N 1 0 286.715 1.752 20 5 CDBDRO CN(C(=O)CCC(C)(C)[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000831873504 818832726 /nfs/dbraw/zinc/83/27/26/818832726.db2.gz VNDYLRXXBOKZDM-FUNVUKJBSA-N 1 0 297.399 1.906 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H]2C[NH2+]CCO2)c1 ZINC000134270220 818835699 /nfs/dbraw/zinc/83/56/99/818835699.db2.gz SIMKLSXOJUGXJU-JTQLQIEISA-N 1 0 267.285 1.004 20 5 CDBDRO CN(Cc1cc(F)ccc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000782175964 818871513 /nfs/dbraw/zinc/87/15/13/818871513.db2.gz KFAHMAZAHIDEOF-ZDUSSCGKSA-N 1 0 284.287 1.317 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CCC1(C)C ZINC000878673802 818962128 /nfs/dbraw/zinc/96/21/28/818962128.db2.gz UIQJOTGPTFKFEE-JTQLQIEISA-N 1 0 252.318 1.878 20 5 CDBDRO CN(C)CC[N@H+](C)CCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC000808133840 819019114 /nfs/dbraw/zinc/01/91/14/819019114.db2.gz UWKJULBIVYCXHC-UHFFFAOYSA-N 1 0 294.399 1.915 20 5 CDBDRO O=[N+]([O-])c1ccn(CCN2CCCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000886872507 819048349 /nfs/dbraw/zinc/04/83/49/819048349.db2.gz UKOKILWBMFVUGT-AWEZNQCLSA-N 1 0 293.371 1.257 20 5 CDBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccco1 ZINC000839762651 819094156 /nfs/dbraw/zinc/09/41/56/819094156.db2.gz FBPZRPJTHJMYTA-IRCOFANPSA-N 1 0 295.339 1.490 20 5 CDBDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000809981309 819094844 /nfs/dbraw/zinc/09/48/44/819094844.db2.gz GQYHCFXXADRCAF-VNHYZAJKSA-N 1 0 290.319 1.824 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c1C ZINC000884270216 819199312 /nfs/dbraw/zinc/19/93/12/819199312.db2.gz IKYRTTYESFORMI-ZYHUDNBSSA-N 1 0 291.351 1.939 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1-c1nc(CC2CC[NH2+]CC2)no1 ZINC000843135055 819237432 /nfs/dbraw/zinc/23/74/32/819237432.db2.gz LTHNUZIBXSOZLZ-UHFFFAOYSA-N 1 0 291.311 1.525 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000843484941 819279303 /nfs/dbraw/zinc/27/93/03/819279303.db2.gz XASDGIXXQDMOJI-VIFPVBQESA-N 1 0 296.283 1.279 20 5 CDBDRO CO[C@H]1CCC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000886026614 819326018 /nfs/dbraw/zinc/32/60/18/819326018.db2.gz ZRTGXXCVVKOJSH-YPMHNXCESA-N 1 0 282.344 1.729 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000089742456 819368664 /nfs/dbraw/zinc/36/86/64/819368664.db2.gz NPYIYNHLGJPOFY-JTQLQIEISA-N 1 0 263.297 1.841 20 5 CDBDRO [NH3+]C1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000842265331 819401007 /nfs/dbraw/zinc/40/10/07/819401007.db2.gz GQSYBNCERYRONE-UHFFFAOYSA-N 1 0 266.257 1.431 20 5 CDBDRO O=[N+]([O-])c1ncccc1Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000887463293 819487976 /nfs/dbraw/zinc/48/79/76/819487976.db2.gz YKSXYKRBOCEKPV-UHFFFAOYSA-N 1 0 288.311 1.097 20 5 CDBDRO O=C(C[C@@H]1CC[NH2+]C1)NCc1ccc([N+](=O)[O-])cc1 ZINC000089743315 819488032 /nfs/dbraw/zinc/48/80/32/819488032.db2.gz AYAOUTNRSUOULC-NSHDSACASA-N 1 0 263.297 1.211 20 5 CDBDRO C[C@@H](CCNc1cc(F)c([N+](=O)[O-])cc1CO)[NH+](C)C ZINC000865939790 819588759 /nfs/dbraw/zinc/58/87/59/819588759.db2.gz YEGWILLKGARSFB-VIFPVBQESA-N 1 0 285.319 1.978 20 5 CDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(N2CCOC2=O)cc1 ZINC000930209562 819601390 /nfs/dbraw/zinc/60/13/90/819601390.db2.gz GPOCBXQXTYKYIZ-JTQLQIEISA-N 1 0 279.296 1.571 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000923316558 819673418 /nfs/dbraw/zinc/67/34/18/819673418.db2.gz VZPUFRJUXBJYMS-GXTWGEPZSA-N 1 0 289.335 1.904 20 5 CDBDRO O=[N+]([O-])CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000930077776 819710510 /nfs/dbraw/zinc/71/05/10/819710510.db2.gz GXJYUEUKFWRUMR-UHFFFAOYSA-N 1 0 269.389 1.851 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](O)C[NH+](C)C)c1 ZINC000717382696 819717614 /nfs/dbraw/zinc/71/76/14/819717614.db2.gz CMMWLPWBNSWUFS-JTQLQIEISA-N 1 0 253.302 1.238 20 5 CDBDRO CN(Cc1cccnc1[N+](=O)[O-])[C@@H](C[NH3+])C(F)(F)F ZINC000886841526 819784573 /nfs/dbraw/zinc/78/45/73/819784573.db2.gz NQGZYACKLNMUNU-QMMMGPOBSA-N 1 0 278.234 1.311 20 5 CDBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccc(N)cc1[N+](=O)[O-] ZINC000817131871 819833771 /nfs/dbraw/zinc/83/37/71/819833771.db2.gz SXTSAZLLYZJHSZ-LLVKDONJSA-N 1 0 264.329 1.707 20 5 CDBDRO COCc1cc([N+](=O)[O-])ccc1NCC[N@H+](C)CCO ZINC000884824571 819881778 /nfs/dbraw/zinc/88/17/78/819881778.db2.gz BFMVXCFRACEYMR-UHFFFAOYSA-N 1 0 283.328 1.077 20 5 CDBDRO O=C(OCc1ccc(-n2ccnc2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840671855 819903958 /nfs/dbraw/zinc/90/39/58/819903958.db2.gz CWJWJIJJJMGQGC-CHWSQXEVSA-N 1 0 287.275 1.581 20 5 CDBDRO [NH3+]C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000036753433 820367125 /nfs/dbraw/zinc/36/71/25/820367125.db2.gz QPWAUGWTRUTPFB-UHFFFAOYSA-N 1 0 255.299 1.220 20 5 CDBDRO C[C@H]([NH3+])c1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000311645737 820393749 /nfs/dbraw/zinc/39/37/49/820393749.db2.gz CXZNQSIFFHDDBM-ZETCQYMHSA-N 1 0 265.248 1.393 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC1CC[NH2+]CC1 ZINC000873300005 820404671 /nfs/dbraw/zinc/40/46/71/820404671.db2.gz XLDUWFVLZFVMJZ-UHFFFAOYSA-N 1 0 291.351 1.941 20 5 CDBDRO Cc1c(C[NH2+]CC[S@](C)=O)cccc1[N+](=O)[O-] ZINC000158094984 820855844 /nfs/dbraw/zinc/85/58/44/820855844.db2.gz FADQNSADARZKLP-QGZVFWFLSA-N 1 0 256.327 1.371 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NCCCC[N@H+](C)C1CC1 ZINC000894140200 821005003 /nfs/dbraw/zinc/00/50/03/821005003.db2.gz AJJRLAMZXVBXFA-UHFFFAOYSA-N 1 0 267.333 1.615 20 5 CDBDRO C[C@@H](O)C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000847092358 821218479 /nfs/dbraw/zinc/21/84/79/821218479.db2.gz DPIBLAOQGUVLHU-QMTHXVAHSA-N 1 0 280.324 1.473 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000883223554 821226073 /nfs/dbraw/zinc/22/60/73/821226073.db2.gz RJBPQHAVPSLFBK-ZDUSSCGKSA-N 1 0 292.339 1.488 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000882490689 821228572 /nfs/dbraw/zinc/22/85/72/821228572.db2.gz UDEFQXPWOMVJSY-SNVBAGLBSA-N 1 0 292.339 1.461 20 5 CDBDRO CC[C@H](CO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000844257261 821310558 /nfs/dbraw/zinc/31/05/58/821310558.db2.gz XSCWRYOFYYQCTE-LLVKDONJSA-N 1 0 295.339 1.592 20 5 CDBDRO CSCCCNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867956670 821395588 /nfs/dbraw/zinc/39/55/88/821395588.db2.gz WGJLBCOARRGTGG-CYBMUJFWSA-N 1 0 297.380 1.638 20 5 CDBDRO CC[NH2+]Cc1cn(Cc2ccc([N+](=O)[O-])c(F)c2)nn1 ZINC000094776139 821789460 /nfs/dbraw/zinc/78/94/60/821789460.db2.gz HIYKPXWMEBZQMT-UHFFFAOYSA-N 1 0 279.275 1.483 20 5 CDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000828840137 821805307 /nfs/dbraw/zinc/80/53/07/821805307.db2.gz LLHZBKDNDUYMSL-LLVKDONJSA-N 1 0 271.361 1.422 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCOC2)c1 ZINC000819187203 821821065 /nfs/dbraw/zinc/82/10/65/821821065.db2.gz DDMZZSNWTKYJJP-CMPLNLGQSA-N 1 0 252.270 1.007 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CCN(C[C@@H]3C[C@H](F)C[NH2+]3)CC2)n1 ZINC000883431012 821827198 /nfs/dbraw/zinc/82/71/98/821827198.db2.gz KGAFMCMJTGWDEQ-QWRGUYRKSA-N 1 0 297.334 1.128 20 5 CDBDRO COCCN(CC[NH+](C)C)Cc1cccc([N+](=O)[O-])c1C ZINC000877526125 821845245 /nfs/dbraw/zinc/84/52/45/821845245.db2.gz PVVGOSUJWSRXCK-UHFFFAOYSA-N 1 0 295.383 1.913 20 5 CDBDRO CON(C)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000850479597 821859054 /nfs/dbraw/zinc/85/90/54/821859054.db2.gz XSFPLCYYXBBKSZ-VXGBXAGGSA-N 1 0 297.359 1.358 20 5 CDBDRO [NH3+][C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843045502 821864854 /nfs/dbraw/zinc/86/48/54/821864854.db2.gz SRBNKAJFTFVDOX-SECBINFHSA-N 1 0 255.705 1.781 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCOC2)cc1 ZINC000134755911 822044042 /nfs/dbraw/zinc/04/40/42/822044042.db2.gz UYYQMBBAMJWOOI-GXFFZTMASA-N 1 0 266.297 1.254 20 5 CDBDRO O=[N+]([O-])CCN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000791052765 822427174 /nfs/dbraw/zinc/42/71/74/822427174.db2.gz BYGRBLGPQVPHHE-UHFFFAOYSA-N 1 0 281.331 1.610 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2nccs2)cc1 ZINC000818988701 822461589 /nfs/dbraw/zinc/46/15/89/822461589.db2.gz RIPYSNAAFNBUDE-LBPRGKRZSA-N 1 0 293.348 1.917 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc([C@]3(F)CC[NH2+]C3)n2)o1 ZINC000843238380 822468657 /nfs/dbraw/zinc/46/86/57/822468657.db2.gz QJUOUGHLJVBGAW-JTQLQIEISA-N 1 0 268.204 1.396 20 5 CDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@H]1CC[NH2+]C1 ZINC000058233939 1167219335 /nfs/dbraw/zinc/21/93/35/1167219335.db2.gz YQSGPBDGAAEEQI-LBPRGKRZSA-N 1 0 277.324 1.727 20 5 CDBDRO COCC[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173175423 912282084 /nfs/dbraw/zinc/28/20/84/912282084.db2.gz NDSXYSAGHNZTMF-SECBINFHSA-N 1 0 286.303 1.910 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CC(O)C1 ZINC001173218124 912302730 /nfs/dbraw/zinc/30/27/30/912302730.db2.gz OJYZLOGSESLNSE-PWQPVHBWSA-N 1 0 264.325 1.886 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C(N)=O ZINC001173225043 912314032 /nfs/dbraw/zinc/31/40/32/912314032.db2.gz BDJNBCKMCZHNRM-BXUZGUMPSA-N 1 0 291.351 1.866 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CN(C2COC2)C1 ZINC001173228869 912319001 /nfs/dbraw/zinc/31/90/01/912319001.db2.gz LBMFMROHSLHQTM-NSHDSACASA-N 1 0 291.351 1.198 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1ccnc1C(N)=[NH2+] ZINC001173214305 912335400 /nfs/dbraw/zinc/33/54/00/912335400.db2.gz ALLUUAPZOWSYPY-SECBINFHSA-N 1 0 273.296 1.879 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCCNC1=O ZINC001173211160 912332122 /nfs/dbraw/zinc/33/21/22/912332122.db2.gz QCYXQVALJISRGP-RISCZKNCSA-N 1 0 291.351 1.784 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCn1ccnn1 ZINC001173208740 912333581 /nfs/dbraw/zinc/33/35/81/912333581.db2.gz BHXFAIGWOYQQLD-LLVKDONJSA-N 1 0 275.312 1.407 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)CCO ZINC001173213793 912337066 /nfs/dbraw/zinc/33/70/66/912337066.db2.gz KLZXCLGXLXNTBU-WDEREUQCSA-N 1 0 252.314 1.886 20 5 CDBDRO COc1ccnc(N[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001167270208 895009478 /nfs/dbraw/zinc/00/94/78/895009478.db2.gz NQRWVLWSWGYQTG-QMMMGPOBSA-N 1 0 252.274 1.114 20 5 CDBDRO CCOc1cc(-n2ccc(C[NH3+])cc2=N)ccc1[N+](=O)[O-] ZINC001167693339 898358930 /nfs/dbraw/zinc/35/89/30/898358930.db2.gz IWRRCPLFEAPMBX-UHFFFAOYSA-N 1 0 288.307 1.722 20 5 CDBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001167753117 900031055 /nfs/dbraw/zinc/03/10/55/900031055.db2.gz KTLXYCNNMBECRC-GFCCVEGCSA-N 1 0 294.355 1.905 20 5 CDBDRO Cc1ccnc(N2CC3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC000709787461 901800742 /nfs/dbraw/zinc/80/07/42/901800742.db2.gz ACWPCOIAZZRTOL-UHFFFAOYSA-N 1 0 262.313 1.488 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000687790854 902721245 /nfs/dbraw/zinc/72/12/45/902721245.db2.gz ZCWMCNMDPZSDSH-SSDOTTSWSA-N 1 0 271.704 1.586 20 5 CDBDRO Cc1ccnc(O[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001226120781 904883001 /nfs/dbraw/zinc/88/30/01/904883001.db2.gz WFOCGPYRIIXTQK-NSHDSACASA-N 1 0 263.297 1.771 20 5 CDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000928562039 905594257 /nfs/dbraw/zinc/59/42/57/905594257.db2.gz CPGZEUMWEDIGPK-CYBMUJFWSA-N 1 0 277.324 1.348 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCC(=O)OCc1ccccc1 ZINC001224329238 909303235 /nfs/dbraw/zinc/30/32/35/909303235.db2.gz AYNIBELXEVXJTB-ZDUSSCGKSA-N 1 0 266.361 1.841 20 5 CDBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1ccc([N+](=O)[O-])cn1 ZINC001171390175 909566119 /nfs/dbraw/zinc/56/61/19/909566119.db2.gz SXSMYSXSCQUJEP-LLVKDONJSA-N 1 0 286.291 1.848 20 5 CDBDRO COC[C@H](CCO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000228342372 911884123 /nfs/dbraw/zinc/88/41/23/911884123.db2.gz HUWRDYPQNIESME-LBPRGKRZSA-N 1 0 268.313 1.390 20 5 CDBDRO NC(=O)CC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901140 912039272 /nfs/dbraw/zinc/03/92/72/912039272.db2.gz JXPJCDJAQLUJIW-GFCCVEGCSA-N 1 0 277.324 1.307 20 5 CDBDRO Cc1ccnc(N2C[C@@H](C)[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC000070495727 916227133 /nfs/dbraw/zinc/22/71/33/916227133.db2.gz DUWSNCOAKIUBJX-NXEZZACHSA-N 1 0 250.302 1.485 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001118197562 923884464 /nfs/dbraw/zinc/88/44/64/923884464.db2.gz UTOGCAYKKSDSJB-NSHDSACASA-N 1 0 294.355 1.145 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000712254581 924004561 /nfs/dbraw/zinc/00/45/61/924004561.db2.gz JKQRTUUSQIESTN-LJWDBELGSA-N 1 0 280.299 1.937 20 5 CDBDRO C[NH+](C)CC(C)(C)CNc1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001168764429 924139082 /nfs/dbraw/zinc/13/90/82/924139082.db2.gz VEJMVLDEDWIXFR-UHFFFAOYSA-N 1 0 286.307 1.367 20 5 CDBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839547337 936915223 /nfs/dbraw/zinc/91/52/23/936915223.db2.gz RDMSGMRZYVNBCC-XVIXHAIJSA-N 1 0 295.383 1.515 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(CCC[NH3+])C(C)C)c1 ZINC001164128690 924612726 /nfs/dbraw/zinc/61/27/26/924612726.db2.gz CKKASWITMNQXOB-UHFFFAOYSA-N 1 0 295.339 1.945 20 5 CDBDRO Cc1cc(Cl)nc(N2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC001166662660 925207168 /nfs/dbraw/zinc/20/71/68/925207168.db2.gz XBUAYEHKRZFULW-UHFFFAOYSA-N 1 0 270.720 1.879 20 5 CDBDRO CCC[C@H](CCO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000716971029 925359693 /nfs/dbraw/zinc/35/96/93/925359693.db2.gz MTYWOHONIVLSLT-OCCSQVGLSA-N 1 0 282.340 1.769 20 5 CDBDRO [NH3+]CCN(c1cccnc1)c1ccc([N+](=O)[O-])cn1 ZINC001168832423 927480250 /nfs/dbraw/zinc/48/02/50/927480250.db2.gz SFQSYVJXNSVTDU-UHFFFAOYSA-N 1 0 259.269 1.482 20 5 CDBDRO [NH3+][C@H]1CCN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)C1 ZINC001156233606 927537437 /nfs/dbraw/zinc/53/74/37/927537437.db2.gz SSVGSGBOWMTONI-NSHDSACASA-N 1 0 285.307 1.589 20 5 CDBDRO COc1cc(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)ccn1 ZINC001168976272 927562866 /nfs/dbraw/zinc/56/28/66/927562866.db2.gz CFVVVSPNAOVZFF-CHWSQXEVSA-N 1 0 279.340 1.668 20 5 CDBDRO O=C(CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)Nc1nccs1 ZINC001168978160 927564911 /nfs/dbraw/zinc/56/49/11/927564911.db2.gz PASCCOXFJURYER-UWVGGRQHSA-N 1 0 298.368 1.507 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2CO)C1 ZINC001168979760 927568433 /nfs/dbraw/zinc/56/84/33/927568433.db2.gz ZVFSUSMMRPREQL-BXUZGUMPSA-N 1 0 264.325 1.714 20 5 CDBDRO O=C(NCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001168985270 927573604 /nfs/dbraw/zinc/57/36/04/927573604.db2.gz SMSKZNJHZRFMAR-TZMCWYRMSA-N 1 0 297.399 1.718 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CCN(CCF)CC2)C1 ZINC001168984625 927573701 /nfs/dbraw/zinc/57/37/01/927573701.db2.gz PDANKCLLGMBVDO-YPMHNXCESA-N 1 0 273.352 1.455 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCO[C@H]2CCCCO2)C1 ZINC001168985422 927574863 /nfs/dbraw/zinc/57/48/63/927574863.db2.gz FDVIFMGPBANSJY-AGIUHOORSA-N 1 0 272.345 1.565 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(c3ncccn3)C2)C1 ZINC001168956329 927577379 /nfs/dbraw/zinc/57/73/79/927577379.db2.gz DQTIZPZAYSJKAX-AGIUHOORSA-N 1 0 291.355 1.090 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](CO)c2ccc(F)cc2)C1 ZINC001168964982 927587629 /nfs/dbraw/zinc/58/76/29/927587629.db2.gz WYNVGJPFKVMUSF-HONMWMINSA-N 1 0 282.315 1.894 20 5 CDBDRO Cc1cc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)n(C)n1 ZINC001168969062 927592264 /nfs/dbraw/zinc/59/22/64/927592264.db2.gz BUKBHWCZTOAQTB-WDEREUQCSA-N 1 0 252.318 1.264 20 5 CDBDRO C[C@H](CN1CCCC1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968162 927592283 /nfs/dbraw/zinc/59/22/83/927592283.db2.gz XBLQZJSKCZAICP-FRRDWIJNSA-N 1 0 255.362 1.506 20 5 CDBDRO COCC1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168993584 927600216 /nfs/dbraw/zinc/60/02/16/927600216.db2.gz NKZORWBUILDLSQ-NEPJUHHUSA-N 1 0 272.345 1.217 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H]2CCN(c3ncccn3)C2)C1 ZINC001168997590 927603830 /nfs/dbraw/zinc/60/38/30/927603830.db2.gz DQTIZPZAYSJKAX-YNEHKIRRSA-N 1 0 291.355 1.090 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](CO)c2cccnc2)C1 ZINC001169003111 927606709 /nfs/dbraw/zinc/60/67/09/927606709.db2.gz NJTMMQYWRJGALO-RTXFEEFZSA-N 1 0 265.313 1.150 20 5 CDBDRO CO[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169007202 927611835 /nfs/dbraw/zinc/61/18/35/927611835.db2.gz LTSMWPDSGNHJQM-LPWJVIDDSA-N 1 0 256.346 1.979 20 5 CDBDRO COC(=O)[C@@H]1CC[C@@H](C)[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169010249 927613709 /nfs/dbraw/zinc/61/37/09/927613709.db2.gz BSRCZECEYYJWGV-YVECIDJPSA-N 1 0 284.356 1.705 20 5 CDBDRO C[C@]1(CO)CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169010547 927617346 /nfs/dbraw/zinc/61/73/46/927617346.db2.gz DKLGIDINDVVMKF-MCIONIFRSA-N 1 0 270.373 1.916 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1c(Cl)cncc1[N+](=O)[O-] ZINC001168987377 927625078 /nfs/dbraw/zinc/62/50/78/927625078.db2.gz MFJXQUMVRRGWLK-UHFFFAOYSA-N 1 0 282.691 1.034 20 5 CDBDRO [NH3+]Cc1ccc(N[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001168990504 927629296 /nfs/dbraw/zinc/62/92/96/927629296.db2.gz ZTIHRDLNFHJJEA-VHSXEESVSA-N 1 0 250.302 1.398 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCc3ncsc3C2)C1 ZINC001169033306 927641055 /nfs/dbraw/zinc/64/10/55/927641055.db2.gz BSXMGTCTBLXWOB-VHSXEESVSA-N 1 0 267.354 1.947 20 5 CDBDRO CCC1(O)CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169038177 927646336 /nfs/dbraw/zinc/64/63/36/927646336.db2.gz WLHWVCLGDWELQS-NWDGAFQWSA-N 1 0 256.346 1.669 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CC(N3CCC(F)(F)C3)C2)C1 ZINC001169037716 927647796 /nfs/dbraw/zinc/64/77/96/927647796.db2.gz TVLSRSPTCAOMIS-QWRGUYRKSA-N 1 0 289.326 1.457 20 5 CDBDRO CCO[C@@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H]2CCCO[C@H]12 ZINC001169018989 927659591 /nfs/dbraw/zinc/65/95/91/927659591.db2.gz FXPSPRKGOYIIRF-KHMAMNHCSA-N 1 0 298.383 1.700 20 5 CDBDRO CN(C)[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169022502 927663095 /nfs/dbraw/zinc/66/30/95/927663095.db2.gz CGXXPHYYXHTQKG-YNEHKIRRSA-N 1 0 255.362 1.458 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CC[C@@H](N3CCCCC3)C2)C1 ZINC001169047566 927665450 /nfs/dbraw/zinc/66/54/50/927665450.db2.gz RKBMBKTZWCEEKM-SOUVJXGZSA-N 1 0 281.400 1.992 20 5 CDBDRO CC[N@H+](CCn1ccnc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169049145 927666326 /nfs/dbraw/zinc/66/63/26/927666326.db2.gz VZXDBLBSXXZPKE-STQMWFEESA-N 1 0 266.345 1.650 20 5 CDBDRO CC[N@H+](CCn1ccnc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169049142 927666986 /nfs/dbraw/zinc/66/69/86/927666986.db2.gz VZXDBLBSXXZPKE-CHWSQXEVSA-N 1 0 266.345 1.650 20 5 CDBDRO COC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169052497 927668809 /nfs/dbraw/zinc/66/88/09/927668809.db2.gz GGJKJQQHOUOVLM-XQQFMLRXSA-N 1 0 284.356 1.707 20 5 CDBDRO CO[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H](C)C1 ZINC001169050649 927670142 /nfs/dbraw/zinc/67/01/42/927670142.db2.gz CCWINVLXRIEISI-YVECIDJPSA-N 1 0 256.346 1.931 20 5 CDBDRO CN(C)C(=O)N[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169055321 927673022 /nfs/dbraw/zinc/67/30/22/927673022.db2.gz PLIIIHOWGQFOJV-XQQFMLRXSA-N 1 0 298.387 1.167 20 5 CDBDRO [NH3+]Cc1cnnn1-c1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001169310147 927945674 /nfs/dbraw/zinc/94/56/74/927945674.db2.gz BMUVVPAXKBHSAX-UHFFFAOYSA-N 1 0 288.242 1.322 20 5 CDBDRO CC1(C)C[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000788434145 929517713 /nfs/dbraw/zinc/51/77/13/929517713.db2.gz GUCXUXQNRANAOB-LBPRGKRZSA-N 1 0 250.298 1.970 20 5 CDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C[C@H](C)[NH3+] ZINC000863565608 929570696 /nfs/dbraw/zinc/57/06/96/929570696.db2.gz OPUDYMFNFHOMFM-VHSXEESVSA-N 1 0 280.328 1.201 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000882479761 930011530 /nfs/dbraw/zinc/01/15/30/930011530.db2.gz FGZKFRZUDGZSBN-GFCCVEGCSA-N 1 0 277.324 1.348 20 5 CDBDRO CCN(CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000218350440 930459760 /nfs/dbraw/zinc/45/97/60/930459760.db2.gz BNTQVPDRWCYJIQ-OAHLLOKOSA-N 1 0 293.367 1.702 20 5 CDBDRO CC[C@H](CCO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134402081 930557526 /nfs/dbraw/zinc/55/75/26/930557526.db2.gz RRGBEVQQDBHBLM-YPMHNXCESA-N 1 0 268.313 1.379 20 5 CDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000818006995 930670661 /nfs/dbraw/zinc/67/06/61/930670661.db2.gz UOMOEJNIYXLQEJ-LLVKDONJSA-N 1 0 280.328 1.280 20 5 CDBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1NCC[C@@H](C)[NH3+] ZINC001170894171 930682777 /nfs/dbraw/zinc/68/27/77/930682777.db2.gz HSHHMXAKQGRHAK-MRVPVSSYSA-N 1 0 281.312 1.839 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1cc(Cl)cc([N+](=O)[O-])n1 ZINC001159743381 930784276 /nfs/dbraw/zinc/78/42/76/930784276.db2.gz DYMPSIRNYRMTQF-VIFPVBQESA-N 1 0 260.681 1.112 20 5 CDBDRO CC(=O)N1CCc2cc(NCC(C)(C)[NH3+])cc([N+](=O)[O-])c21 ZINC001171194407 931859099 /nfs/dbraw/zinc/85/90/99/931859099.db2.gz LZUIRCFDWXDHKW-UHFFFAOYSA-N 1 0 292.339 1.653 20 5 CDBDRO O=[N+]([O-])c1ccnc(NC[C@@]2(F)CCCC[NH2+]C2)c1 ZINC001155114717 937636942 /nfs/dbraw/zinc/63/69/42/937636942.db2.gz DZUBXESJRCHYBS-GFCCVEGCSA-N 1 0 268.292 1.884 20 5 CDBDRO CCN(C[C@H]1CC[N@H+](CC[N+](=O)[O-])C1)CC(F)(F)F ZINC000929781876 933269063 /nfs/dbraw/zinc/26/90/63/933269063.db2.gz QWAQRDNFILJLEJ-SNVBAGLBSA-N 1 0 283.294 1.469 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC001155894917 937686491 /nfs/dbraw/zinc/68/64/91/937686491.db2.gz ZQCIQKVMNRRQCG-RKDXNWHRSA-N 1 0 295.343 1.093 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001155914859 937688188 /nfs/dbraw/zinc/68/81/88/937688188.db2.gz MXRSXJNUNXKMKJ-SSDOTTSWSA-N 1 0 269.261 1.260 20 5 CDBDRO C[C@]([NH3+])(C(=O)N[C@H]1C=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC001119056438 937692025 /nfs/dbraw/zinc/69/20/25/937692025.db2.gz QSAPRZYZLFYWBP-SWLSCSKDSA-N 1 0 289.335 1.994 20 5 CDBDRO COc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1[N+](=O)[O-] ZINC000931282274 933532135 /nfs/dbraw/zinc/53/21/35/933532135.db2.gz ODTWDPJAZPRYKY-JYAVWHMHSA-N 1 0 291.351 1.595 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc4nonc4c3[N+](=O)[O-])C[C@@H]21 ZINC001119969165 937769013 /nfs/dbraw/zinc/76/90/13/937769013.db2.gz OYJFDZRJKBTWCZ-KCJUWKMLSA-N 1 0 289.295 1.271 20 5 CDBDRO Cc1cc(NC(=O)N2CC[N@@H+]3CC[C@H]2C3)ccc1[N+](=O)[O-] ZINC001123415245 936159460 /nfs/dbraw/zinc/15/94/60/936159460.db2.gz OYIXMUBVQSNLTG-LBPRGKRZSA-N 1 0 290.323 1.825 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(-n3ccc4c3CC[NH2+]C4)c21 ZINC001157454211 938494424 /nfs/dbraw/zinc/49/44/24/938494424.db2.gz QBYDZTGITKIRMD-UHFFFAOYSA-N 1 0 295.302 1.974 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC001157758696 938542025 /nfs/dbraw/zinc/54/20/25/938542025.db2.gz CSOGRSIXABHCIO-ZDUSSCGKSA-N 1 0 299.334 1.844 20 5 CDBDRO CN1CCN(C(=[NH2+])Nc2cc([N+](=O)[O-])cc(Cl)n2)CC1 ZINC001157910807 938561359 /nfs/dbraw/zinc/56/13/59/938561359.db2.gz RGGSPVCMOFNRBF-UHFFFAOYSA-N 1 0 298.734 1.237 20 5 CDBDRO Cc1cnc(C[NH3+])n1-c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001158163782 938589647 /nfs/dbraw/zinc/58/96/47/938589647.db2.gz DQTYWTTWQSACCC-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO C[C@H]1CN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001158180760 938591925 /nfs/dbraw/zinc/59/19/25/938591925.db2.gz ZOXWVRZEBFGGPA-YUMQZZPRSA-N 1 0 286.719 1.068 20 5 CDBDRO COc1nc(-n2ccc([C@H](C)[NH3+])n2)ccc1[N+](=O)[O-] ZINC001158348195 938611728 /nfs/dbraw/zinc/61/17/28/938611728.db2.gz CWLLQUHGVQDJLU-ZETCQYMHSA-N 1 0 263.257 1.204 20 5 CDBDRO Nc1nc(NCC23CC[NH+](CC2)CC3)ccc1[N+](=O)[O-] ZINC001158827524 938667061 /nfs/dbraw/zinc/66/70/61/938667061.db2.gz TUNFPVDAPJXEHM-UHFFFAOYSA-N 1 0 277.328 1.470 20 5 CDBDRO COc1cc(C)nc(N2CC[NH2+]C3(CC3)C2)c1[N+](=O)[O-] ZINC001158936348 938680238 /nfs/dbraw/zinc/68/02/38/938680238.db2.gz CZXBPCSOGNXAID-UHFFFAOYSA-N 1 0 278.312 1.249 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(-n2nnc3ccc(C[NH3+])cc32)n1 ZINC001159029215 938693648 /nfs/dbraw/zinc/69/36/48/938693648.db2.gz MMCSFGPIJROIDZ-UHFFFAOYSA-N 1 0 298.306 1.799 20 5 CDBDRO O=[N+]([O-])c1cc(N2CCC3(C[NH2+]C3)CC2)nc2[nH]ccc21 ZINC001159043084 938695523 /nfs/dbraw/zinc/69/55/23/938695523.db2.gz RQDUVEZGQFNBFJ-UHFFFAOYSA-N 1 0 287.323 1.661 20 5 CDBDRO Cc1nc(Cl)nc(NCC[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC001159774788 938751783 /nfs/dbraw/zinc/75/17/83/938751783.db2.gz QWYZUVIXFAQSAL-RXMQYKEDSA-N 1 0 259.697 1.496 20 5 CDBDRO CC(C)([NH3+])CNc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001160025244 938764896 /nfs/dbraw/zinc/76/48/96/938764896.db2.gz QLBBYMGNOKDRCD-UHFFFAOYSA-N 1 0 261.285 1.687 20 5 CDBDRO Cc1nc(Cl)nc(NCC(C)(C)[NH3+])c1[N+](=O)[O-] ZINC001160026072 938765047 /nfs/dbraw/zinc/76/50/47/938765047.db2.gz LUKLENRMACXHLZ-UHFFFAOYSA-N 1 0 259.697 1.496 20 5 CDBDRO CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160090699 938768542 /nfs/dbraw/zinc/76/85/42/938768542.db2.gz NRNUSRQDQADRKC-CHWSQXEVSA-N 1 0 281.356 1.200 20 5 CDBDRO [NH3+]Cc1cc(-c2ccncc2)nn1-c1cc([N+](=O)[O-])ccn1 ZINC001160337474 938781641 /nfs/dbraw/zinc/78/16/41/938781641.db2.gz FEAOPDCVGTWBGQ-UHFFFAOYSA-N 1 0 296.290 1.696 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CCNc1cccc([N+](=O)[O-])n1 ZINC001160966749 938852088 /nfs/dbraw/zinc/85/20/88/938852088.db2.gz YTBDPQCRRPTDGW-SNVBAGLBSA-N 1 0 250.302 1.886 20 5 CDBDRO C[C@@]1([NH3+])C[C@H](Nc2cc([N+](=O)[O-])cc(Cl)n2)C1 ZINC001162324852 939024155 /nfs/dbraw/zinc/02/41/55/939024155.db2.gz JMAPPNVNXOPRHS-XGAOUMNUSA-N 1 0 256.693 1.935 20 5 CDBDRO COc1ccnc(N[C@@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001162390085 939042121 /nfs/dbraw/zinc/04/21/21/939042121.db2.gz BWRFVSWAFMPJBB-DTWKUNHWSA-N 1 0 266.301 1.680 20 5 CDBDRO COc1ccc(NC[C@H]2C[NH2+][C@H](C)C2)nc1[N+](=O)[O-] ZINC001162555673 939086920 /nfs/dbraw/zinc/08/69/20/939086920.db2.gz ZZDLYHMFIHYTFE-RKDXNWHRSA-N 1 0 266.301 1.408 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N[C@@H]1C=C[C@H]2C[NH2+]C[C@H]21 ZINC001162791926 939141353 /nfs/dbraw/zinc/14/13/53/939141353.db2.gz FEWPDHHUFWTJNE-ZWKOPEQDSA-N 1 0 297.318 1.724 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3C=C[C@H]4C[NH2+]C[C@H]43)c2c1 ZINC001162793533 939141727 /nfs/dbraw/zinc/14/17/27/939141727.db2.gz LODFMYQGBITQHV-MRCXROJRSA-N 1 0 297.318 1.724 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(NC[C@@H]2CC[NH2+]C[C@@H]2F)n1 ZINC001162802829 939146254 /nfs/dbraw/zinc/14/62/54/939146254.db2.gz VNSMKNIBHMGCSU-IUCAKERBSA-N 1 0 269.280 1.053 20 5 CDBDRO Cc1cccc(NC[C@]23C[NH2+]C[C@H]2COC3)c1[N+](=O)[O-] ZINC001163153099 939214351 /nfs/dbraw/zinc/21/43/51/939214351.db2.gz HHKMEBNLYGSEFI-FZMZJTMJSA-N 1 0 277.324 1.551 20 5 CDBDRO C[C@@H]1CC[C@@H](C[NH3+])N(c2cccc([N+](=O)[O-])n2)C1 ZINC001164070955 939404890 /nfs/dbraw/zinc/40/48/90/939404890.db2.gz QVMQHXNAMGDZTI-ZJUUUORDSA-N 1 0 250.302 1.553 20 5 CDBDRO C[C@]1(C[NH3+])CCCN(c2nc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001164242956 939440000 /nfs/dbraw/zinc/44/00/00/939440000.db2.gz VIUKJGSSVWAGDU-LBPRGKRZSA-N 1 0 299.762 1.994 20 5 CDBDRO [NH3+][C@@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC001164281779 939445721 /nfs/dbraw/zinc/44/57/21/939445721.db2.gz MSWXJHKONJLZNY-SNVBAGLBSA-N 1 0 258.281 1.680 20 5 CDBDRO [NH3+][C@@H]1CCN(c2ccc3cc(F)cc([N+](=O)[O-])c3n2)C1 ZINC001164281269 939445727 /nfs/dbraw/zinc/44/57/27/939445727.db2.gz WWSLQJVFYOMQGO-SNVBAGLBSA-N 1 0 276.271 1.820 20 5 CDBDRO [NH3+]CCON=c1[nH]c2cc([N+](=O)[O-])ccc2nc1Cl ZINC001164415180 939471811 /nfs/dbraw/zinc/47/18/11/939471811.db2.gz QCVHNWZFGMDYQF-UHFFFAOYSA-N 1 0 283.675 1.494 20 5 CDBDRO CC(C)(C)[NH+]1CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001165088345 939508298 /nfs/dbraw/zinc/50/82/98/939508298.db2.gz MGDFDMYLNVYAFO-UHFFFAOYSA-N 1 0 280.328 1.149 20 5 CDBDRO COc1cc(N2CC[NH+](C(C)(C)C)CC2)ncc1[N+](=O)[O-] ZINC001165091687 939508572 /nfs/dbraw/zinc/50/85/72/939508572.db2.gz XEJINLDZMMVOHR-UHFFFAOYSA-N 1 0 294.355 1.919 20 5 CDBDRO [NH3+]CC1(F)CCN(c2cc([N+](=O)[O-])ccn2)CC1 ZINC001165259050 939535313 /nfs/dbraw/zinc/53/53/13/939535313.db2.gz BXPUGMQMACAKFU-UHFFFAOYSA-N 1 0 254.265 1.257 20 5 CDBDRO CCOc1cnc(-n2ccnc2CC[NH3+])c([N+](=O)[O-])c1 ZINC001166276414 939602319 /nfs/dbraw/zinc/60/23/19/939602319.db2.gz JXGVXRPOESCGRK-UHFFFAOYSA-N 1 0 277.284 1.075 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]([NH3+])C(F)(F)C2)n1 ZINC001166958803 939659573 /nfs/dbraw/zinc/65/95/73/939659573.db2.gz JUAYUYMGDTZEMG-SECBINFHSA-N 1 0 286.282 1.779 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCc1ccccc1 ZINC001205000893 939812880 /nfs/dbraw/zinc/81/28/80/939812880.db2.gz WRAXHVZEFAELOB-CQSZACIVSA-N 1 0 266.361 1.230 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OCCOC(=O)c1ccccc1 ZINC001206527316 940054073 /nfs/dbraw/zinc/05/40/73/940054073.db2.gz BRUUOZQEQPKRTL-ZDUSSCGKSA-N 1 0 266.361 1.955 20 5 CDBDRO Cc1[nH+]cn(-c2c(F)ccc([N+](=O)[O-])c2F)c1N ZINC001215289018 940871340 /nfs/dbraw/zinc/87/13/40/940871340.db2.gz BGGVSBPZTVSBEB-UHFFFAOYSA-N 1 0 254.196 1.949 20 5 CDBDRO COC(=O)c1ccc(CO[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001217824456 941021706 /nfs/dbraw/zinc/02/17/06/941021706.db2.gz QGUDPLRQNUILEF-NSHDSACASA-N 1 0 280.280 1.260 20 5 CDBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1ccc(N)c([N+](=O)[O-])c1 ZINC001218031119 941036407 /nfs/dbraw/zinc/03/64/07/941036407.db2.gz MWPCRUSDEZGINT-TVQRCGJNSA-N 1 0 265.313 1.944 20 5 CDBDRO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@H]1CC[NH2+]C1 ZINC001218182763 941042828 /nfs/dbraw/zinc/04/28/28/941042828.db2.gz QMUKWWGMVDHYEC-JTQLQIEISA-N 1 0 265.269 1.294 20 5 CDBDRO COC(=O)c1c(O[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC001218283428 941051028 /nfs/dbraw/zinc/05/10/28/941051028.db2.gz HEINZRWWGAKFJI-SECBINFHSA-N 1 0 280.280 1.512 20 5 CDBDRO COc1cc(CC[N+](=O)[O-])ccc1O[C@@H]1CCC[NH2+]C1 ZINC001218285839 941051974 /nfs/dbraw/zinc/05/19/74/941051974.db2.gz NVNJNNZBBTUJLE-GFCCVEGCSA-N 1 0 280.324 1.645 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@H]1Oc1ccc(N)c([N+](=O)[O-])c1 ZINC001218425155 941216040 /nfs/dbraw/zinc/21/60/40/941216040.db2.gz QTYVRGQEWNAQOI-QPUJVOFHSA-N 1 0 251.286 1.554 20 5 CDBDRO [NH3+]CCc1nccn1-c1ncnc2sc([N+](=O)[O-])cc21 ZINC000312400065 941349849 /nfs/dbraw/zinc/34/98/49/941349849.db2.gz HICLFFIGOZRGEN-UHFFFAOYSA-N 1 0 290.308 1.286 20 5 CDBDRO COC(=O)c1cccc(CO[C@@H](C)C[N+](C)(C)C)n1 ZINC001223299782 941668714 /nfs/dbraw/zinc/66/87/14/941668714.db2.gz YWMZRIXFHCEWKZ-NSHDSACASA-N 1 0 267.349 1.480 20 5 CDBDRO Cc1cc(C)nc(COC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001223419109 941676062 /nfs/dbraw/zinc/67/60/62/941676062.db2.gz ULAKXNPDXOFWLC-CQSZACIVSA-N 1 0 281.376 1.199 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)O[C@H]1CCc2ccccc21 ZINC001223417715 941676578 /nfs/dbraw/zinc/67/65/78/941676578.db2.gz BODWWVFMYBWYLS-HIFRSBDPSA-N 1 0 278.372 1.674 20 5 CDBDRO C[C@@H](C[NH+](C)C)Oc1c(Cl)nccc1[N+](=O)[O-] ZINC001225430824 941858341 /nfs/dbraw/zinc/85/83/41/941858341.db2.gz HBDMRDDQCSTADJ-ZETCQYMHSA-N 1 0 259.693 1.972 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC001227046100 942120608 /nfs/dbraw/zinc/12/06/08/942120608.db2.gz FBKFHFAQJFWWEY-LLVKDONJSA-N 1 0 294.307 1.854 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccnc(Cl)c1F ZINC001228577202 942337101 /nfs/dbraw/zinc/33/71/01/942337101.db2.gz KMOOTTBEZBVILN-MRVPVSSYSA-N 1 0 291.730 1.237 20 5 CDBDRO CC[NH+]1CCC(Oc2cnccc2[N+](=O)[O-])CC1 ZINC001228880039 942387617 /nfs/dbraw/zinc/38/76/17/942387617.db2.gz POZHKSANMBGXQP-UHFFFAOYSA-N 1 0 251.286 1.853 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2cccc([N+](=O)[O-])c2C(=O)OC)C1 ZINC001229044414 942411887 /nfs/dbraw/zinc/41/18/87/942411887.db2.gz HBQNSQGSQLIIOX-SNVBAGLBSA-N 1 0 294.307 1.854 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H](C)C[N+](C)(C)C ZINC001229058642 942412997 /nfs/dbraw/zinc/41/29/97/942412997.db2.gz BFJGBPDEONLRFR-JTQLQIEISA-N 1 0 297.331 1.855 20 5 CDBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001233703648 943643485 /nfs/dbraw/zinc/64/34/85/943643485.db2.gz YWNBXVCERXPFGT-CYBMUJFWSA-N 1 0 293.279 1.976 20 5 CDBDRO COC(=O)c1cc(O[C@@H](C)C[N+](C)(C)C)cnc1Cl ZINC001234953720 943984010 /nfs/dbraw/zinc/98/40/10/943984010.db2.gz SYFVRWCVVLXJLR-VIFPVBQESA-N 1 0 287.767 1.995 20 5 CDBDRO CC(C)(C)c1csc(CC[NH2+]CC[N+](=O)[O-])n1 ZINC001262489720 946682384 /nfs/dbraw/zinc/68/23/84/946682384.db2.gz HCJZWSBUFROCKH-UHFFFAOYSA-N 1 0 257.359 1.849 20 5 CDBDRO CC(C)(CN)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465221 947451037 /nfs/dbraw/zinc/45/10/37/947451037.db2.gz UVRCPVKQQGHILP-UHFFFAOYSA-N 1 0 292.383 1.891 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCNC1=O ZINC001254531541 947506779 /nfs/dbraw/zinc/50/67/79/947506779.db2.gz GZPPVGCJCPRHFU-NSHDSACASA-N 1 0 292.339 1.141 20 5 CDBDRO CC[C@@]([NH3+])(CO)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254539002 947515786 /nfs/dbraw/zinc/51/57/86/947515786.db2.gz AILKIIQGUTYNCT-MFKMUULPSA-N 1 0 267.329 1.173 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COCC[C@@H]1O ZINC001254537730 947516313 /nfs/dbraw/zinc/51/63/13/947516313.db2.gz GZKBCAXBZXCVFV-OSMZGAPFSA-N 1 0 280.324 1.265 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC2(CC(O)C2)C1 ZINC001254550523 947522398 /nfs/dbraw/zinc/52/23/98/947522398.db2.gz LAEZQXYGZNWZGL-NSHDSACASA-N 1 0 276.336 1.983 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1C[C@H]2C[C@@H](C1)O2 ZINC001254558199 947524466 /nfs/dbraw/zinc/52/44/66/947524466.db2.gz DORQMEDMHVIFEW-WCFLWFBJSA-N 1 0 262.309 1.999 20 5 CDBDRO CN1CCC[C@@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254572628 947532124 /nfs/dbraw/zinc/53/21/24/947532124.db2.gz RFWTVRUHZWEOHX-ZIAGYGMSSA-N 1 0 275.352 1.746 20 5 CDBDRO Cc1cc(C[NH3+])nn1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572452 947532601 /nfs/dbraw/zinc/53/26/01/947532601.db2.gz NVTAOKMICLRHJM-AWEZNQCLSA-N 1 0 272.308 1.898 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1C[C@H](CO)C1)C2 ZINC001254576538 947536044 /nfs/dbraw/zinc/53/60/44/947536044.db2.gz WZTJOJZZAZRDLP-OASPWFOLSA-N 1 0 262.309 1.423 20 5 CDBDRO COC(=O)C(C)(C)C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254584131 947541205 /nfs/dbraw/zinc/54/12/05/947541205.db2.gz PYDAEXYYGBGFMN-LBPRGKRZSA-N 1 0 292.335 1.851 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](NC[C@H]1CCC[NH2+]1)C2 ZINC001246185544 948018389 /nfs/dbraw/zinc/01/83/89/948018389.db2.gz BQAQEMOCSUZVBL-OLZOCXBDSA-N 1 0 261.325 1.404 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CNCCC1=O ZINC001246295640 948087604 /nfs/dbraw/zinc/08/76/04/948087604.db2.gz URCCWINXHHNVQC-GWCFXTLKSA-N 1 0 277.324 1.046 20 5 CDBDRO [NH3+][C@H]1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC(F)(F)C1 ZINC001246573694 948296996 /nfs/dbraw/zinc/29/69/96/948296996.db2.gz LQQMGVCOQIHEQY-YPMHNXCESA-N 1 0 297.305 1.730 20 5 CDBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC001324731684 953549707 /nfs/dbraw/zinc/54/97/07/953549707.db2.gz MJGJATIJZZHNMF-NSHDSACASA-N 1 0 270.333 1.273 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC001326597853 954447544 /nfs/dbraw/zinc/44/75/44/954447544.db2.gz ILEAISYTKBLGPM-JTQLQIEISA-N 1 0 292.339 1.508 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[NH2+]1 ZINC001328223347 955232473 /nfs/dbraw/zinc/23/24/73/955232473.db2.gz JKELVZQFIOIQMU-SECBINFHSA-N 1 0 278.312 1.118 20 5 CDBDRO C[NH+](C)CCONC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001328691227 955417453 /nfs/dbraw/zinc/41/74/53/955417453.db2.gz IYSCHRMPSNTTBS-UHFFFAOYSA-N 1 0 296.327 1.006 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N[C@H]3CC[NH2+]C3)c2c1 ZINC001329734648 956086330 /nfs/dbraw/zinc/08/63/30/956086330.db2.gz POSFWOIHLJJMHI-ZETCQYMHSA-N 1 0 293.714 1.965 20 5 CDBDRO Cc1nc(N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001329741857 956093333 /nfs/dbraw/zinc/09/33/33/956093333.db2.gz YFVDQGHPSIWBFJ-MNOVXSKESA-N 1 0 277.328 1.081 20 5 CDBDRO CO[C@]1(CN2Cc3ccc([N+](=O)[O-])cc3C2)CCOC1 ZINC001330615262 956517157 /nfs/dbraw/zinc/51/71/57/956517157.db2.gz MPHVWKLZTPRQSH-AWEZNQCLSA-N 1 0 278.308 1.716 20 5 CDBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H](O)C3CC3)nc2c1 ZINC001308743183 956570716 /nfs/dbraw/zinc/57/07/16/956570716.db2.gz QYZCXUDEGDONJD-NSHDSACASA-N 1 0 277.280 1.597 20 5 CDBDRO Cc1c(CC(=O)NOCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC001330818801 956648456 /nfs/dbraw/zinc/64/84/56/956648456.db2.gz HFUFXKUFKARQMU-UHFFFAOYSA-N 1 0 281.312 1.055 20 5 CDBDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC001318416184 958091877 /nfs/dbraw/zinc/09/18/77/958091877.db2.gz ZWWLQAIYWCXJCW-RKDXNWHRSA-N 1 0 280.332 1.252 20 5 CDBDRO C[C@@H](NC(=O)N1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC001335622417 959937387 /nfs/dbraw/zinc/93/73/87/959937387.db2.gz HHQLBWDDHGTCPY-SNVBAGLBSA-N 1 0 278.312 1.271 20 5 CDBDRO Cc1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001322366762 960195329 /nfs/dbraw/zinc/19/53/29/960195329.db2.gz XWHNBLJLAHRYCB-UHFFFAOYSA-N 1 0 260.297 1.959 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001336745042 960535324 /nfs/dbraw/zinc/53/53/24/960535324.db2.gz LNPHJURYDMTCDQ-LLVKDONJSA-N 1 0 271.361 1.422 20 5 CDBDRO Cc1nn(CN2CC[N@@H+](C)C(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC001337169756 960990330 /nfs/dbraw/zinc/99/03/30/960990330.db2.gz PMNPZOKSLPWGDS-UHFFFAOYSA-N 1 0 281.360 1.392 20 5 CDBDRO Cc1nc(N[C@@H]2C[NH+]3CCC2CC3)ncc1[N+](=O)[O-] ZINC001338160034 961663219 /nfs/dbraw/zinc/66/32/19/961663219.db2.gz ZRVNEDOEBRNHEW-SNVBAGLBSA-N 1 0 263.301 1.199 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001341596250 963478081 /nfs/dbraw/zinc/47/80/81/963478081.db2.gz VNXMTVROGUGOHY-GXFFZTMASA-N 1 0 289.335 1.955 20 5 CDBDRO Cc1cc(NC(=O)N[C@@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001345487859 964720624 /nfs/dbraw/zinc/72/06/24/964720624.db2.gz CCCAMGDAPXIBMI-JTQLQIEISA-N 1 0 280.328 1.975 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC001345633427 964765676 /nfs/dbraw/zinc/76/56/76/964765676.db2.gz IIUVPYGSABNRGB-MQYQWHSLSA-N 1 0 278.308 1.538 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001346025872 964891129 /nfs/dbraw/zinc/89/11/29/964891129.db2.gz CHRFFWRPFXVDGK-NEPJUHHUSA-N 1 0 276.340 1.759 20 5 CDBDRO [NH3+][C@H]1C[C@H](C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001347157959 965399368 /nfs/dbraw/zinc/39/93/68/965399368.db2.gz ZMVJVGAPOOUQJO-HOMQSWHASA-N 1 0 261.281 1.174 20 5 CDBDRO O=C(OCC[NH+]1CCC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001519842587 970117079 /nfs/dbraw/zinc/11/70/79/970117079.db2.gz SWSMQGVZNUZGKD-KGLIPLIRSA-N 1 0 290.319 1.947 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601016290 342458164 /nfs/dbraw/zinc/45/81/64/342458164.db2.gz JHPIFKBIFIVROM-VIFPVBQESA-N 1 0 293.298 1.700 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000320774584 341994564 /nfs/dbraw/zinc/99/45/64/341994564.db2.gz YXYCMONMNSJJJJ-YUMQZZPRSA-N 1 0 269.276 1.590 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000590402542 342543865 /nfs/dbraw/zinc/54/38/65/342543865.db2.gz DCXOFGHWZGVFPW-DGCLKSJQSA-N 1 0 291.351 1.688 20 5 CDBDRO CNc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000564830951 365527627 /nfs/dbraw/zinc/52/76/27/365527627.db2.gz PVTIOEDYCBUOTB-GHMZBOCLSA-N 1 0 292.339 1.636 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000590663616 342581415 /nfs/dbraw/zinc/58/14/15/342581415.db2.gz AJQRRMURXYQZSS-PELKAZGASA-N 1 0 295.726 1.682 20 5 CDBDRO Cn1c(C(=O)NC[C@H]2CCCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000600310091 342060960 /nfs/dbraw/zinc/06/09/60/342060960.db2.gz FXUIBRHHKUGVMR-LLVKDONJSA-N 1 0 294.355 1.395 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132844386 398250017 /nfs/dbraw/zinc/25/00/17/398250017.db2.gz RHRTVBRRXJIXEX-NSHDSACASA-N 1 0 283.303 1.981 20 5 CDBDRO CC(C)(O)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000092801096 342109842 /nfs/dbraw/zinc/10/98/42/342109842.db2.gz STSONAXXDLERSR-UHFFFAOYSA-N 1 0 252.314 1.888 20 5 CDBDRO Cc1nc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ncc1[N+](=O)[O-] ZINC000591435216 342631482 /nfs/dbraw/zinc/63/14/82/342631482.db2.gz ZWKQRTXTEMUSHT-DCAQKATOSA-N 1 0 277.328 1.257 20 5 CDBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591438119 342632013 /nfs/dbraw/zinc/63/20/13/342632013.db2.gz LAOLDUBUZDTQKC-FZMZJTMJSA-N 1 0 289.335 1.986 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000591361139 342628452 /nfs/dbraw/zinc/62/84/52/342628452.db2.gz GIRUIQKYDMNKPB-JTQLQIEISA-N 1 0 292.339 1.616 20 5 CDBDRO COc1cc(C(=O)N(C)CCC[NH3+])cc([N+](=O)[O-])c1C ZINC000591678644 342641590 /nfs/dbraw/zinc/64/15/90/342641590.db2.gz CQPYJQIYRZCFQQ-UHFFFAOYSA-N 1 0 281.312 1.333 20 5 CDBDRO CC(C)OCC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591760439 342644234 /nfs/dbraw/zinc/64/42/34/342644234.db2.gz FWHKUCKLKWDHOJ-CYBMUJFWSA-N 1 0 298.339 1.349 20 5 CDBDRO C[C@@H]1CC2(C[N@@H+]1CCn1ccc([N+](=O)[O-])n1)CCOCC2 ZINC000592184013 342679839 /nfs/dbraw/zinc/67/98/39/342679839.db2.gz WZFHPVRHKKJDEU-GFCCVEGCSA-N 1 0 294.355 1.682 20 5 CDBDRO Nc1c(-c2nc([C@H]3CCC[NH2+]3)no2)cc(F)cc1[N+](=O)[O-] ZINC000592356608 342687899 /nfs/dbraw/zinc/68/78/99/342687899.db2.gz AKLRTFPVFVLMRV-MRVPVSSYSA-N 1 0 293.258 1.791 20 5 CDBDRO Cc1nn(C)c(-c2nc([C@@H]3CCC[NH2+]3)no2)c1[N+](=O)[O-] ZINC000592356982 342688278 /nfs/dbraw/zinc/68/82/78/342688278.db2.gz OKVGSRKCPRVTBU-ZETCQYMHSA-N 1 0 278.272 1.111 20 5 CDBDRO Nc1ccc(-c2nc([C@H]3CCC[NH2+]3)no2)cc1[N+](=O)[O-] ZINC000592357664 342688295 /nfs/dbraw/zinc/68/82/95/342688295.db2.gz INRXTPNLFPEQJS-SECBINFHSA-N 1 0 275.268 1.652 20 5 CDBDRO C[NH2+]CCCOc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000592158770 342670857 /nfs/dbraw/zinc/67/08/57/342670857.db2.gz QMYWEHRCGPGFDR-UHFFFAOYSA-N 1 0 268.269 1.370 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000156882195 342169400 /nfs/dbraw/zinc/16/94/00/342169400.db2.gz LUBADUJURWBSGP-RKDXNWHRSA-N 1 0 251.286 1.194 20 5 CDBDRO CC(C)([NH2+]C[C@@H]1CCC(=O)N1)c1ccccc1[N+](=O)[O-] ZINC000593028764 342759569 /nfs/dbraw/zinc/75/95/69/342759569.db2.gz BWDXZTLWUGRHOV-JTQLQIEISA-N 1 0 277.324 1.698 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000170856064 361907920 /nfs/dbraw/zinc/90/79/20/361907920.db2.gz YVGWMXUNTQAXBW-SECBINFHSA-N 1 0 296.302 1.140 20 5 CDBDRO COc1ccc(C[NH2+][C@@H](CO)CCF)cc1[N+](=O)[O-] ZINC000593690167 342823447 /nfs/dbraw/zinc/82/34/47/342823447.db2.gz STBJPROUOMKEDZ-SNVBAGLBSA-N 1 0 272.276 1.414 20 5 CDBDRO CCO[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593737127 342831185 /nfs/dbraw/zinc/83/11/85/342831185.db2.gz NMIAFSCHKXMECF-QMTHXVAHSA-N 1 0 297.330 1.530 20 5 CDBDRO CC(C)Oc1nc(NCC[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000593930776 342852615 /nfs/dbraw/zinc/85/26/15/342852615.db2.gz BOFRBKHRXJPJDB-SECBINFHSA-N 1 0 268.317 1.348 20 5 CDBDRO C[C@@H](O)CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594066364 342870251 /nfs/dbraw/zinc/87/02/51/342870251.db2.gz WGGHBSVRYCVOAU-SNVBAGLBSA-N 1 0 293.323 1.379 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1COCC[NH2+]1 ZINC000600677056 342241920 /nfs/dbraw/zinc/24/19/20/342241920.db2.gz AWABPRRRWZVFAW-GFCCVEGCSA-N 1 0 295.339 1.072 20 5 CDBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])n[nH]1 ZINC000594417707 342902870 /nfs/dbraw/zinc/90/28/70/342902870.db2.gz FENLUEFNKXDNAH-KOLCDFICSA-N 1 0 293.327 1.065 20 5 CDBDRO C[C@@H](C[S@](C)=O)N(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595428342 343057414 /nfs/dbraw/zinc/05/74/14/343057414.db2.gz XWGDYBYCVIREPO-UGZDLDLSSA-N 1 0 288.344 1.933 20 5 CDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CNC(=O)C1 ZINC000595477971 343064823 /nfs/dbraw/zinc/06/48/23/343064823.db2.gz WWAREIZPLBCTGL-LBPRGKRZSA-N 1 0 277.324 1.205 20 5 CDBDRO Cc1noc(CN2CCC[C@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000595458423 343068936 /nfs/dbraw/zinc/06/89/36/343068936.db2.gz IAIPMWFPDHPOKY-NSHDSACASA-N 1 0 282.344 1.807 20 5 CDBDRO Cc1noc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000595497472 343077811 /nfs/dbraw/zinc/07/78/11/343077811.db2.gz OITRUTALMNJLSK-NWDGAFQWSA-N 1 0 294.355 1.950 20 5 CDBDRO CC(C)Cn1ccnc1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000076063842 362101732 /nfs/dbraw/zinc/10/17/32/362101732.db2.gz GLEJMFIDIAZUCI-UHFFFAOYSA-N 1 0 291.315 1.432 20 5 CDBDRO C[C@H](Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O)[NH+](C)C ZINC000565774109 365719664 /nfs/dbraw/zinc/71/96/64/365719664.db2.gz IDWDAGGNYXZVTB-SECBINFHSA-N 1 0 292.295 1.362 20 5 CDBDRO [NH3+]C1(CNC(=O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000595940348 343203347 /nfs/dbraw/zinc/20/33/47/343203347.db2.gz CXDPKUKPJIKAGM-UHFFFAOYSA-N 1 0 293.323 1.361 20 5 CDBDRO CC[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000596072846 343225576 /nfs/dbraw/zinc/22/55/76/343225576.db2.gz AGHDBPRUGQKKSD-SNVBAGLBSA-N 1 0 280.328 1.982 20 5 CDBDRO O=c1[nH]ccc(NC[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000596079351 343227184 /nfs/dbraw/zinc/22/71/84/343227184.db2.gz OYTVJCIYESPRAJ-SECBINFHSA-N 1 0 278.312 1.592 20 5 CDBDRO C[NH+](C)[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000596114717 343231390 /nfs/dbraw/zinc/23/13/90/343231390.db2.gz NMSSKRIIHKNAGF-JTQLQIEISA-N 1 0 266.301 1.448 20 5 CDBDRO Nc1ccc(N2CC[C@H](C[NH+]3CCCC3)C2)nc1[N+](=O)[O-] ZINC000596134994 343239784 /nfs/dbraw/zinc/23/97/84/343239784.db2.gz QVOFQGRQJUMWFT-LLVKDONJSA-N 1 0 291.355 1.494 20 5 CDBDRO CS[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)C[C@H]1[NH+](C)C ZINC000596177996 343248828 /nfs/dbraw/zinc/24/88/28/343248828.db2.gz KHMDAVBJCQUKSR-ZJUUUORDSA-N 1 0 297.384 1.054 20 5 CDBDRO Cc1cc(N2CCC([NH2+]CCO)CC2)c([N+](=O)[O-])s1 ZINC000596178839 343249171 /nfs/dbraw/zinc/24/91/71/343249171.db2.gz LYXLXGATKJSNJH-UHFFFAOYSA-N 1 0 285.369 1.515 20 5 CDBDRO C[NH+]1CCC(C)(CNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596190448 343252867 /nfs/dbraw/zinc/25/28/67/343252867.db2.gz ZVQKWCFRKJGNNN-UHFFFAOYSA-N 1 0 280.328 1.839 20 5 CDBDRO Nc1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)nc1[N+](=O)[O-] ZINC000596298618 343291800 /nfs/dbraw/zinc/29/18/00/343291800.db2.gz YXEIUGGHOIVMCL-NWDGAFQWSA-N 1 0 291.355 1.423 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)nc1 ZINC000596557290 343342455 /nfs/dbraw/zinc/34/24/55/343342455.db2.gz GHUOBHCVHHIYLC-ZDUSSCGKSA-N 1 0 299.334 1.493 20 5 CDBDRO CC(=O)NC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000050990521 342447574 /nfs/dbraw/zinc/44/75/74/342447574.db2.gz RJECZNXZXOTQSM-UHFFFAOYSA-N 1 0 291.351 1.738 20 5 CDBDRO C[NH+](C)C1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000597199684 343471448 /nfs/dbraw/zinc/47/14/48/343471448.db2.gz NEUTVILSDOEVLS-UHFFFAOYSA-N 1 0 293.323 1.184 20 5 CDBDRO COc1ccc(C(=O)N2CC(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000597707865 343605766 /nfs/dbraw/zinc/60/57/66/343605766.db2.gz HOQCOQBIQDSXJY-UHFFFAOYSA-N 1 0 293.323 1.237 20 5 CDBDRO C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000598645361 343855555 /nfs/dbraw/zinc/85/55/55/343855555.db2.gz HVSCVSQZSSQVSA-QWHCGFSZSA-N 1 0 294.351 1.924 20 5 CDBDRO C[NH2+]C1(CNc2cc[nH]c(=O)c2[N+](=O)[O-])CCC1 ZINC000598633468 343849583 /nfs/dbraw/zinc/84/95/83/343849583.db2.gz OJYOARXXHHQQFT-UHFFFAOYSA-N 1 0 252.274 1.249 20 5 CDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000598666872 343862153 /nfs/dbraw/zinc/86/21/53/343862153.db2.gz AOUIZQIZFGSRPX-FZMZJTMJSA-N 1 0 275.308 1.548 20 5 CDBDRO COc1ccc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598681781 343864197 /nfs/dbraw/zinc/86/41/97/343864197.db2.gz JMSLBNLDLSPSHL-IUODEOHRSA-N 1 0 291.351 1.917 20 5 CDBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000599023148 343941495 /nfs/dbraw/zinc/94/14/95/343941495.db2.gz QSJAFHMIDZRKNE-UHFFFAOYSA-N 1 0 273.283 1.881 20 5 CDBDRO CCC(CC)[NH2+]CCNc1ccc([N+](=O)[O-])cn1 ZINC000599098472 343954344 /nfs/dbraw/zinc/95/43/44/343954344.db2.gz VNGOCQCHIQSJKH-UHFFFAOYSA-N 1 0 252.318 1.602 20 5 CDBDRO COC[C@@H](O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000231607315 362319023 /nfs/dbraw/zinc/31/90/23/362319023.db2.gz NKANSVAHPHKPHN-LBPRGKRZSA-N 1 0 254.286 1.082 20 5 CDBDRO Cc1cccc(NC[C@H]2COCC[NH2+]2)c1[N+](=O)[O-] ZINC000235897852 362321683 /nfs/dbraw/zinc/32/16/83/362321683.db2.gz SFTKRHFBPJSVJX-JTQLQIEISA-N 1 0 251.286 1.304 20 5 CDBDRO C[NH+](C)CCOCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000540842519 362331277 /nfs/dbraw/zinc/33/12/77/362331277.db2.gz AUBFCMLCRFYMSX-UHFFFAOYSA-N 1 0 299.302 1.042 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602420790 344419997 /nfs/dbraw/zinc/41/99/97/344419997.db2.gz HAEFMIQNHSJQFS-JTQLQIEISA-N 1 0 295.314 1.806 20 5 CDBDRO COC[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602505194 344457251 /nfs/dbraw/zinc/45/72/51/344457251.db2.gz VCHYHPCKZVAAMC-NSHDSACASA-N 1 0 294.355 1.583 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@H]1CCCCO1 ZINC000602761863 344583366 /nfs/dbraw/zinc/58/33/66/344583366.db2.gz BMERCZWFZXULIW-GFCCVEGCSA-N 1 0 282.344 1.601 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1C2CCC1CC2 ZINC000602763747 344583910 /nfs/dbraw/zinc/58/39/10/344583910.db2.gz SJBCKXOTYHFOJT-UHFFFAOYSA-N 1 0 250.302 1.727 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CO)c1ccccc1 ZINC000602796757 344588111 /nfs/dbraw/zinc/58/81/11/344588111.db2.gz CQBZAOZQZFTLKR-ZDUSSCGKSA-N 1 0 290.323 1.423 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000602831482 344614389 /nfs/dbraw/zinc/61/43/89/344614389.db2.gz IIWMPLSRJOFGFK-CYBMUJFWSA-N 1 0 295.387 1.372 20 5 CDBDRO Cc1ccnc(N[C@@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000382437711 362468351 /nfs/dbraw/zinc/46/83/51/362468351.db2.gz XJPOKZBKHSFWNE-VHSXEESVSA-N 1 0 250.302 1.980 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000602846133 344624039 /nfs/dbraw/zinc/62/40/39/344624039.db2.gz NAOBDKCAUBJWBA-CYBMUJFWSA-N 1 0 296.371 1.584 20 5 CDBDRO Cc1c(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)cccc1[N+](=O)[O-] ZINC000602907221 344644366 /nfs/dbraw/zinc/64/43/66/344644366.db2.gz LIWAEOXVWWBBSS-OCCSQVGLSA-N 1 0 280.324 1.221 20 5 CDBDRO COc1ccc(CN2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000128575352 344683904 /nfs/dbraw/zinc/68/39/04/344683904.db2.gz ZWQFJAJNGWSVBO-QMTHXVAHSA-N 1 0 295.339 1.151 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CSCC[NH2+]1 ZINC000603420623 344799741 /nfs/dbraw/zinc/79/97/41/344799741.db2.gz VCZNNQLFXNGGRQ-SECBINFHSA-N 1 0 271.317 1.851 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000603706524 344827611 /nfs/dbraw/zinc/82/76/11/344827611.db2.gz QOHSMMVIEOYFHM-WDEREUQCSA-N 1 0 292.339 1.290 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@](C)(O)C[NH+](C)C)c1 ZINC000228668414 362510993 /nfs/dbraw/zinc/51/09/93/362510993.db2.gz ILIKGRQHMMLFOX-ZDUSSCGKSA-N 1 0 267.329 1.628 20 5 CDBDRO Cc1ccc(C[NH2+]CCCc2cnn(C)n2)cc1[N+](=O)[O-] ZINC000293107130 362530249 /nfs/dbraw/zinc/53/02/49/362530249.db2.gz YFWKYYKIHHNDHD-UHFFFAOYSA-N 1 0 289.339 1.754 20 5 CDBDRO [NH3+][C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000129241955 362542856 /nfs/dbraw/zinc/54/28/56/362542856.db2.gz YTIRBTWKZFNIQH-LLVKDONJSA-N 1 0 267.260 1.201 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cn1 ZINC000609797240 346001091 /nfs/dbraw/zinc/00/10/91/346001091.db2.gz XEFPGXQNOUWBMS-QWHCGFSZSA-N 1 0 292.339 1.025 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000089106667 346124163 /nfs/dbraw/zinc/12/41/63/346124163.db2.gz YVNLPMUXYYLOKO-CMPLNLGQSA-N 1 0 277.324 1.842 20 5 CDBDRO CC1(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)COC1 ZINC000610367509 346264312 /nfs/dbraw/zinc/26/43/12/346264312.db2.gz WCUKFQMOWRSAKD-UHFFFAOYSA-N 1 0 292.339 1.148 20 5 CDBDRO O=[N+]([O-])c1sccc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000610541858 346307820 /nfs/dbraw/zinc/30/78/20/346307820.db2.gz FLZDBYWLKGAXRT-LLVKDONJSA-N 1 0 297.380 1.815 20 5 CDBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CC2(O)CCC2)CC1 ZINC000610705954 346365599 /nfs/dbraw/zinc/36/55/99/346365599.db2.gz STALNGUTCSDOIM-UHFFFAOYSA-N 1 0 291.351 1.632 20 5 CDBDRO CC(C)C(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000229550149 346553574 /nfs/dbraw/zinc/55/35/74/346553574.db2.gz FOSLJRLLXCDAEQ-CYBMUJFWSA-N 1 0 298.387 1.670 20 5 CDBDRO COCCC[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611265570 346726869 /nfs/dbraw/zinc/72/68/69/346726869.db2.gz FSTKRMFTWCCUHO-UHFFFAOYSA-N 1 0 296.323 1.834 20 5 CDBDRO Cc1cnc(N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000611299104 346740898 /nfs/dbraw/zinc/74/08/98/346740898.db2.gz OAHJPMUUPFPWNU-WDEREUQCSA-N 1 0 264.329 1.827 20 5 CDBDRO C[NH+](C)[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000055719994 347851069 /nfs/dbraw/zinc/85/10/69/347851069.db2.gz RXYLGCJQJZLNPE-JTQLQIEISA-N 1 0 283.353 1.726 20 5 CDBDRO C[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000086467557 179297547 /nfs/dbraw/zinc/29/75/47/179297547.db2.gz OFIOEXIBSHLNBX-IUCAKERBSA-N 1 0 281.287 1.556 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@@H]12 ZINC000170078299 362857313 /nfs/dbraw/zinc/85/73/13/362857313.db2.gz CSGQQIVXQBZHIZ-GGZOMVNGSA-N 1 0 293.298 1.543 20 5 CDBDRO C[C@@]1(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000128805389 187391738 /nfs/dbraw/zinc/39/17/38/187391738.db2.gz HJNDKAKYCMHZLS-CQSZACIVSA-N 1 0 295.314 1.853 20 5 CDBDRO CC[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000165981397 358454281 /nfs/dbraw/zinc/45/42/81/358454281.db2.gz ZXYUHDUFXFADNO-ZANVPECISA-N 1 0 295.314 1.933 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000104227088 185936667 /nfs/dbraw/zinc/93/66/67/185936667.db2.gz PUJWVJCVTGFKAO-MWLCHTKSSA-N 1 0 263.297 1.697 20 5 CDBDRO CC(C)C[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000060846942 348898755 /nfs/dbraw/zinc/89/87/55/348898755.db2.gz MTNJJZWKRBPFPX-UHFFFAOYSA-N 1 0 264.329 1.768 20 5 CDBDRO CC[N@@H+]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000266093364 362939286 /nfs/dbraw/zinc/93/92/86/362939286.db2.gz JBKOWCCJEVDAKU-UHFFFAOYSA-N 1 0 291.351 1.692 20 5 CDBDRO Cc1c(CNC(=O)NCCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000616176982 349330041 /nfs/dbraw/zinc/33/00/41/349330041.db2.gz BECKPNURIOVVTC-UHFFFAOYSA-N 1 0 294.355 1.654 20 5 CDBDRO COC[C@@H](O)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090949673 180072008 /nfs/dbraw/zinc/07/20/08/180072008.db2.gz UDQSBWWDMZQRRT-YPMHNXCESA-N 1 0 282.340 1.951 20 5 CDBDRO CCc1nn(C)c(NCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000091576237 180197895 /nfs/dbraw/zinc/19/78/95/180197895.db2.gz HSNJQCVUPWBOED-UHFFFAOYSA-N 1 0 255.322 1.254 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000161403043 362957316 /nfs/dbraw/zinc/95/73/16/362957316.db2.gz HAGFABYCVHXORV-RYUDHWBXSA-N 1 0 277.324 1.523 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000382439727 362959450 /nfs/dbraw/zinc/95/94/50/362959450.db2.gz ZKHFNAMBIXDFHZ-IVBLRQQYSA-N 1 0 289.335 1.852 20 5 CDBDRO COC[C@](C)([NH3+])CNc1ncc([N+](=O)[O-])cc1C ZINC000271380457 191108301 /nfs/dbraw/zinc/10/83/01/191108301.db2.gz XHDNLTWDFVZWFP-LLVKDONJSA-N 1 0 254.290 1.074 20 5 CDBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](CCO)CC2)cc1 ZINC000108947360 186236861 /nfs/dbraw/zinc/23/68/61/186236861.db2.gz XBZPZCVYBAARLU-UHFFFAOYSA-N 1 0 279.340 1.711 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000110652168 186311526 /nfs/dbraw/zinc/31/15/26/186311526.db2.gz BFCAHLCZGMXSQX-JTQLQIEISA-N 1 0 293.323 1.285 20 5 CDBDRO C[N@H+](C[C@H](O)CNCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000312577155 350786269 /nfs/dbraw/zinc/78/62/69/350786269.db2.gz ABUCQTYCTKETEN-CQSZACIVSA-N 1 0 279.340 1.140 20 5 CDBDRO COC[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000619783180 350848055 /nfs/dbraw/zinc/84/80/55/350848055.db2.gz OEBOHDJNLIBYBN-QMMMGPOBSA-N 1 0 265.269 1.861 20 5 CDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCn1cccn1 ZINC000111279678 186388195 /nfs/dbraw/zinc/38/81/95/186388195.db2.gz HNRUVFZUPOJYNC-UHFFFAOYSA-N 1 0 290.323 1.802 20 5 CDBDRO O=C(NCC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000120500862 186904445 /nfs/dbraw/zinc/90/44/45/186904445.db2.gz BEQQISTZNIADEF-UHFFFAOYSA-N 1 0 297.742 1.978 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000291872058 198091929 /nfs/dbraw/zinc/09/19/29/198091929.db2.gz KBVNKJUNURYSTN-GFCCVEGCSA-N 1 0 293.367 1.982 20 5 CDBDRO C[NH2+][C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000123222428 187078836 /nfs/dbraw/zinc/07/88/36/187078836.db2.gz NEIAYWIZQUQMBV-NSHDSACASA-N 1 0 265.313 1.397 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000291961776 198118328 /nfs/dbraw/zinc/11/83/28/198118328.db2.gz RKSTZLLHDUTCKT-SECBINFHSA-N 1 0 296.327 1.154 20 5 CDBDRO CCC[NH2+]CCNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000213294194 535173801 /nfs/dbraw/zinc/17/38/01/535173801.db2.gz NYCSNJDITGPJLP-UHFFFAOYSA-N 1 0 280.328 1.366 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@]1(O)CCOC1 ZINC000516583620 363155120 /nfs/dbraw/zinc/15/51/20/363155120.db2.gz DOPVDZHQCJTDGP-GXTWGEPZSA-N 1 0 278.308 1.323 20 5 CDBDRO C[NH+](C)C[C@](C)(O)CNc1cccc(F)c1[N+](=O)[O-] ZINC000133018436 187660571 /nfs/dbraw/zinc/66/05/71/187660571.db2.gz ADDVURRTEDLBPJ-GFCCVEGCSA-N 1 0 271.292 1.458 20 5 CDBDRO C[C@H]1C[C@@H](O)CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000292427913 198284743 /nfs/dbraw/zinc/28/47/43/198284743.db2.gz NINOMCNBHKILCQ-LEWSCRJBSA-N 1 0 280.324 1.473 20 5 CDBDRO C[NH+](C)CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000155712403 188223349 /nfs/dbraw/zinc/22/33/49/188223349.db2.gz KNLMUDHERZQFBL-UHFFFAOYSA-N 1 0 279.340 1.595 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](CO)C1 ZINC000157156540 188300880 /nfs/dbraw/zinc/30/08/80/188300880.db2.gz UNMQIVQURPTKMP-GFCCVEGCSA-N 1 0 280.324 1.678 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000295188828 199395985 /nfs/dbraw/zinc/39/59/85/199395985.db2.gz IOQFLQUOEKRUEK-QMMMGPOBSA-N 1 0 283.353 1.784 20 5 CDBDRO C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090520408 358479583 /nfs/dbraw/zinc/47/95/83/358479583.db2.gz HRGNRKFXKRZYTR-LBPRGKRZSA-N 1 0 279.340 1.879 20 5 CDBDRO Cc1cc(C(=O)NCC[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000063170224 363277660 /nfs/dbraw/zinc/27/76/60/363277660.db2.gz UWDJCTHNTNOLCA-SECBINFHSA-N 1 0 251.286 1.370 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365377281 363360772 /nfs/dbraw/zinc/36/07/72/363360772.db2.gz IFXVMSWSGFJCEM-OCCSQVGLSA-N 1 0 289.335 1.348 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094339219 366150565 /nfs/dbraw/zinc/15/05/65/366150565.db2.gz CCFZKFNAMNNYNF-VKYBYORPSA-N 1 0 289.335 1.804 20 5 CDBDRO CC[C@@H](C)[N@H+](CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000287389203 358493491 /nfs/dbraw/zinc/49/34/91/358493491.db2.gz NIWZYKXQNNXTOR-LLVKDONJSA-N 1 0 295.339 1.626 20 5 CDBDRO COC[C@@H](O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000304240687 355924692 /nfs/dbraw/zinc/92/46/92/355924692.db2.gz RXLLPMNPHSWIHW-FUEXJSSKSA-N 1 0 266.297 1.205 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000126996286 356214054 /nfs/dbraw/zinc/21/40/54/356214054.db2.gz YQQADSOROHFUTD-MRVPVSSYSA-N 1 0 281.337 1.408 20 5 CDBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000308710702 356335616 /nfs/dbraw/zinc/33/56/16/356335616.db2.gz NXZODRVTBNVBCA-KWCYVHTRSA-N 1 0 296.371 1.711 20 5 CDBDRO C[C@H]([NH2+]CC(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000134892415 356448602 /nfs/dbraw/zinc/44/86/02/356448602.db2.gz UNWKFXPMOJQORA-NSHDSACASA-N 1 0 277.324 1.868 20 5 CDBDRO CCCN(CC[NH+](CC)CC)c1c([N+](=O)[O-])ncn1C ZINC000359249663 283236954 /nfs/dbraw/zinc/23/69/54/283236954.db2.gz DQEIEJDAABYDKN-UHFFFAOYSA-N 1 0 283.376 1.887 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1c1c(F)cccc1[N+](=O)[O-] ZINC000261572922 357235264 /nfs/dbraw/zinc/23/52/64/357235264.db2.gz MBNSTKKOXBJSFR-BDAKNGLRSA-N 1 0 253.277 1.907 20 5 CDBDRO CN(c1ncc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000149422886 357299408 /nfs/dbraw/zinc/29/94/08/357299408.db2.gz AFEDWRCTBHKZHQ-MRVPVSSYSA-N 1 0 256.693 1.441 20 5 CDBDRO CNc1ccc(C(=O)N[C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000566201533 357434702 /nfs/dbraw/zinc/43/47/02/357434702.db2.gz HZORKFPTHQQTFA-LLVKDONJSA-N 1 0 294.355 1.740 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000135230216 357799491 /nfs/dbraw/zinc/79/94/91/357799491.db2.gz HYLYGUVHHJCCDA-QWRGUYRKSA-N 1 0 277.324 1.726 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135239653 357802002 /nfs/dbraw/zinc/80/20/02/357802002.db2.gz FPMXTILPLDYPBH-JSGCOSHPSA-N 1 0 291.351 1.771 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135239612 357802380 /nfs/dbraw/zinc/80/23/80/357802380.db2.gz FPMXTILPLDYPBH-OCCSQVGLSA-N 1 0 291.351 1.771 20 5 CDBDRO C[NH+]1CCC2(CCCN2C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000408076528 357806225 /nfs/dbraw/zinc/80/62/25/357806225.db2.gz KBIYVBOCEXCCRA-UHFFFAOYSA-N 1 0 293.327 1.018 20 5 CDBDRO C[NH+]1CCC2(CCCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000408066794 357809321 /nfs/dbraw/zinc/80/93/21/357809321.db2.gz CUHKTTOHIBCCNN-UHFFFAOYSA-N 1 0 292.339 1.623 20 5 CDBDRO C[C@@H]1CCCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000187934085 357825018 /nfs/dbraw/zinc/82/50/18/357825018.db2.gz ROJULCKEBLJALH-LLVKDONJSA-N 1 0 252.318 1.913 20 5 CDBDRO Cc1cc(C(=O)NCC2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000135216560 357782548 /nfs/dbraw/zinc/78/25/48/357782548.db2.gz QDEXEJMIMFGULV-UHFFFAOYSA-N 1 0 277.324 1.633 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CC[C@H](O)C2)cs1 ZINC000188816013 357940739 /nfs/dbraw/zinc/94/07/39/357940739.db2.gz IIYPIHWPNOQMCF-SCZZXKLOSA-N 1 0 256.327 1.907 20 5 CDBDRO Cc1c(NC(=O)[C@]2(C)CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000062892931 357974300 /nfs/dbraw/zinc/97/43/00/357974300.db2.gz XHNGNOXEPYWBPH-CYBMUJFWSA-N 1 0 263.297 1.841 20 5 CDBDRO [NH3+]C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CCCCC1 ZINC000127314666 358104836 /nfs/dbraw/zinc/10/48/36/358104836.db2.gz WNXDIEWQANPMGU-LBPRGKRZSA-N 1 0 280.328 1.560 20 5 CDBDRO C[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000193406830 358292768 /nfs/dbraw/zinc/29/27/68/358292768.db2.gz OISHBNVHHZDSIP-NSHDSACASA-N 1 0 293.371 1.225 20 5 CDBDRO O=[N+]([O-])c1ccc(CCN2CCOC[C@]23CCOC3)cc1 ZINC000193716637 358319335 /nfs/dbraw/zinc/31/93/35/358319335.db2.gz FILGGUDDMLYGBA-OAHLLOKOSA-N 1 0 292.335 1.629 20 5 CDBDRO C[NH+](C)C[C@](C)(O)CNc1ccc([N+](=O)[O-])s1 ZINC000611032701 358345443 /nfs/dbraw/zinc/34/54/43/358345443.db2.gz WLZIZVANEDYOGL-SNVBAGLBSA-N 1 0 259.331 1.381 20 5 CDBDRO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000361662665 358409794 /nfs/dbraw/zinc/40/97/94/358409794.db2.gz RBDZWIOATITVRA-JQWIXIFHSA-N 1 0 250.298 1.655 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000591352808 358562893 /nfs/dbraw/zinc/56/28/93/358562893.db2.gz YSXCPWPJWSIUSJ-LLVKDONJSA-N 1 0 294.355 1.564 20 5 CDBDRO COc1cc(C[NH2+][C@H]2C[C@@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000294948298 199266250 /nfs/dbraw/zinc/26/62/50/199266250.db2.gz VTDGYJOUQHBIGP-AOOOYVTPSA-N 1 0 282.296 1.225 20 5 CDBDRO CCOC(=O)CN(CCn1ccc([N+](=O)[O-])n1)CC(C)C ZINC000176219015 358741163 /nfs/dbraw/zinc/74/11/63/358741163.db2.gz LZUZZVLHZJLQGS-UHFFFAOYSA-N 1 0 298.343 1.312 20 5 CDBDRO C[C@H]1CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000072874669 358797403 /nfs/dbraw/zinc/79/74/03/358797403.db2.gz QYVQDESETVCSNA-NSHDSACASA-N 1 0 289.335 1.968 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000290981124 358799599 /nfs/dbraw/zinc/79/95/99/358799599.db2.gz VPGKOFHPRWPCQU-GFCCVEGCSA-N 1 0 293.367 1.982 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000186865463 358833389 /nfs/dbraw/zinc/83/33/89/358833389.db2.gz ZJUQZXHZVAGQEQ-ZWNOBZJWSA-N 1 0 277.324 1.252 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000262802059 358894963 /nfs/dbraw/zinc/89/49/63/358894963.db2.gz OANWPHXDMSNFIP-KCJUWKMLSA-N 1 0 281.287 1.462 20 5 CDBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000357906758 359004555 /nfs/dbraw/zinc/00/45/55/359004555.db2.gz IXCRLDGXDQYQNI-MNOVXSKESA-N 1 0 252.318 1.912 20 5 CDBDRO CC[C@H]1C[N@H+](CC)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000451729141 359073720 /nfs/dbraw/zinc/07/37/20/359073720.db2.gz JJGQRPCULIYISN-LBPRGKRZSA-N 1 0 281.360 1.207 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000381507008 359056111 /nfs/dbraw/zinc/05/61/11/359056111.db2.gz UFIYLWFJGJLJLX-BQBZGAKWSA-N 1 0 271.704 1.714 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000342467665 359063530 /nfs/dbraw/zinc/06/35/30/359063530.db2.gz RLJYCAQVQNHQHD-SCZZXKLOSA-N 1 0 295.364 1.869 20 5 CDBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])n1C)C(C)C ZINC000338766988 359166316 /nfs/dbraw/zinc/16/63/16/359166316.db2.gz LPZPKQBLZKUEPW-UHFFFAOYSA-N 1 0 282.344 1.393 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000112926877 359366811 /nfs/dbraw/zinc/36/68/11/359366811.db2.gz ZTJCQMVFVFRHFL-UHFFFAOYSA-N 1 0 291.311 1.153 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000050394695 359439776 /nfs/dbraw/zinc/43/97/76/359439776.db2.gz OAZBVFZZZHWIAL-CMPLNLGQSA-N 1 0 277.324 1.832 20 5 CDBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc([N+](=O)[O-])cc1F ZINC000049840685 359503847 /nfs/dbraw/zinc/50/38/47/359503847.db2.gz JZXIMQOEGJXJHH-ULKQDVFKSA-N 1 0 293.298 1.747 20 5 CDBDRO [NH3+]C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000236225849 283506693 /nfs/dbraw/zinc/50/66/93/283506693.db2.gz UTIOWZDMPAMWTF-MRVPVSSYSA-N 1 0 270.720 1.818 20 5 CDBDRO CC[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000054263240 360065250 /nfs/dbraw/zinc/06/52/50/360065250.db2.gz QINVDNAWXYLYMY-UHFFFAOYSA-N 1 0 251.286 1.243 20 5 CDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000228417380 360255877 /nfs/dbraw/zinc/25/58/77/360255877.db2.gz HSSYIABAYDFXLR-NSHDSACASA-N 1 0 298.774 1.906 20 5 CDBDRO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCCOC1 ZINC000348150323 360525068 /nfs/dbraw/zinc/52/50/68/360525068.db2.gz XWDBCMMKRABMFE-VHSXEESVSA-N 1 0 268.317 1.233 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[NH2+]CC2)c1 ZINC000237332828 361258365 /nfs/dbraw/zinc/25/83/65/361258365.db2.gz QLYDMRRJWOKJMV-UHFFFAOYSA-N 1 0 295.364 1.752 20 5 CDBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000301612392 201095159 /nfs/dbraw/zinc/09/51/59/201095159.db2.gz SGHSFXGDCFXTJV-JTQLQIEISA-N 1 0 294.359 1.357 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000132948027 283681727 /nfs/dbraw/zinc/68/17/27/283681727.db2.gz XQOZYFTUTYAXOM-JTQLQIEISA-N 1 0 281.287 1.558 20 5 CDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000287228182 291283413 /nfs/dbraw/zinc/28/34/13/291283413.db2.gz QOHMGUOTRRSVFY-UWVGGRQHSA-N 1 0 293.327 1.017 20 5 CDBDRO CC1(C)CN(CCNc2ncc([N+](=O)[O-])cc2F)CCO1 ZINC000581058834 363967227 /nfs/dbraw/zinc/96/72/27/363967227.db2.gz UVLZEEBQQFHATR-UHFFFAOYSA-N 1 0 298.318 1.652 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000148811849 364358270 /nfs/dbraw/zinc/35/82/70/364358270.db2.gz OIBGLIKXDVOYHW-SNVBAGLBSA-N 1 0 265.313 1.489 20 5 CDBDRO CC(C)C[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174811968 364571060 /nfs/dbraw/zinc/57/10/60/364571060.db2.gz BPYSASZUTKDCPF-UHFFFAOYSA-N 1 0 281.360 1.065 20 5 CDBDRO C[C@H]([NH3+])C1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000104127807 364736326 /nfs/dbraw/zinc/73/63/26/364736326.db2.gz XYDOIZWBENBQRX-QMMMGPOBSA-N 1 0 283.353 1.856 20 5 CDBDRO CC[C@@](C)([NH2+]CCOc1ccccc1[N+](=O)[O-])C(N)=O ZINC000133671582 365174708 /nfs/dbraw/zinc/17/47/08/365174708.db2.gz FCIRPCNYVFPFBD-CYBMUJFWSA-N 1 0 281.312 1.217 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC1 ZINC000275857375 193147771 /nfs/dbraw/zinc/14/77/71/193147771.db2.gz IMTRQDGARYHVPY-UHFFFAOYSA-N 1 0 266.301 1.137 20 5 CDBDRO C[C@@H]1CCC[C@H](CO)[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000270507530 366891523 /nfs/dbraw/zinc/89/15/23/366891523.db2.gz RDQTXXRJTFZRPD-GHMZBOCLSA-N 1 0 268.317 1.027 20 5 CDBDRO COC[C@@H]1C[C@H](O)C[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414496340 241232881 /nfs/dbraw/zinc/23/28/81/241232881.db2.gz YPGCNCQWNMGHQT-WFVZMWEJSA-N 1 0 292.335 1.690 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000414647847 241296899 /nfs/dbraw/zinc/29/68/99/241296899.db2.gz AHQTUZWWKBSUEG-SECBINFHSA-N 1 0 294.311 1.558 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000414653903 241303603 /nfs/dbraw/zinc/30/36/03/241303603.db2.gz IPLULOIQEOWDQD-MRVPVSSYSA-N 1 0 280.284 1.168 20 5 CDBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000094339949 367159305 /nfs/dbraw/zinc/15/93/05/367159305.db2.gz BIUJJYAWCKMIQI-ZWNOBZJWSA-N 1 0 277.324 1.333 20 5 CDBDRO C[NH2+]CCN(C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415627642 241731615 /nfs/dbraw/zinc/73/16/15/241731615.db2.gz CGUWMTGFGGXNCP-UHFFFAOYSA-N 1 0 270.264 1.417 20 5 CDBDRO C[C@@H](NC(=O)N(C)[C@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417136315 242333583 /nfs/dbraw/zinc/33/35/83/242333583.db2.gz KKYAAXCMZKVDTB-NXEZZACHSA-N 1 0 280.328 1.644 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417227092 242367438 /nfs/dbraw/zinc/36/74/38/242367438.db2.gz LECOVLRJWLGMQG-CYBMUJFWSA-N 1 0 294.355 1.420 20 5 CDBDRO Cc1ccc(NC(=O)N[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000287050180 369072265 /nfs/dbraw/zinc/07/22/65/369072265.db2.gz SQJXRICUABBBNE-JTQLQIEISA-N 1 0 280.328 1.975 20 5 CDBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330726908 203160885 /nfs/dbraw/zinc/16/08/85/203160885.db2.gz FVYSXIOZFPXNHN-SNVBAGLBSA-N 1 0 294.355 1.725 20 5 CDBDRO C[NH+](C)C1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000420630704 244296848 /nfs/dbraw/zinc/29/68/48/244296848.db2.gz SZNOXOAUQFXKFV-UHFFFAOYSA-N 1 0 265.317 1.670 20 5 CDBDRO C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000330793527 203243918 /nfs/dbraw/zinc/24/39/18/203243918.db2.gz VLWJAMMMTKBDDA-TXEJJXNPSA-N 1 0 291.351 1.688 20 5 CDBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC000368643468 284164843 /nfs/dbraw/zinc/16/48/43/284164843.db2.gz AKUFTWXDAPGIEN-LBPRGKRZSA-N 1 0 275.308 1.467 20 5 CDBDRO COc1cc(C(=O)N(C)C2CC([NH3+])C2)ccc1[N+](=O)[O-] ZINC000295281391 369850222 /nfs/dbraw/zinc/85/02/22/369850222.db2.gz SXFAFEPJYFJLMQ-UHFFFAOYSA-N 1 0 279.296 1.165 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000295329798 369960781 /nfs/dbraw/zinc/96/07/81/369960781.db2.gz XMKWDQYWDXNQQT-JTQLQIEISA-N 1 0 280.328 1.250 20 5 CDBDRO C[C@@H](NC(=O)C[NH2+]CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000037766577 370079288 /nfs/dbraw/zinc/07/92/88/370079288.db2.gz RANCXPNYGJNIAU-SNVBAGLBSA-N 1 0 277.324 1.772 20 5 CDBDRO CC[NH2+]CC1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000129941784 370443482 /nfs/dbraw/zinc/44/34/82/370443482.db2.gz OQIHLUFTXHHLKL-UHFFFAOYSA-N 1 0 280.328 1.385 20 5 CDBDRO C[C@@H]1C[C@@H](C)N(Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1C[NH3+] ZINC000422636998 245146801 /nfs/dbraw/zinc/14/68/01/245146801.db2.gz NYZDSKQOGDVQID-MXWKQRLJSA-N 1 0 281.360 1.134 20 5 CDBDRO [NH3+]C1(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CCCCCC1 ZINC000422729830 245184544 /nfs/dbraw/zinc/18/45/44/245184544.db2.gz CRYJTGSYYIFMIM-UHFFFAOYSA-N 1 0 281.316 1.099 20 5 CDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C1 ZINC000414892208 371033367 /nfs/dbraw/zinc/03/33/67/371033367.db2.gz XMXCKKZRZWBVRG-DGCLKSJQSA-N 1 0 263.341 1.867 20 5 CDBDRO C[C@@H](NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000422797123 245266316 /nfs/dbraw/zinc/26/63/16/245266316.db2.gz ZWIMJSWQZVDBMF-YPMHNXCESA-N 1 0 263.341 1.867 20 5 CDBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000332009055 204386015 /nfs/dbraw/zinc/38/60/15/204386015.db2.gz REMGHCYJIAFOQM-ZJUUUORDSA-N 1 0 293.327 1.017 20 5 CDBDRO C[C@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000266276576 371995295 /nfs/dbraw/zinc/99/52/95/371995295.db2.gz SDNANKJWKCARQK-LLVKDONJSA-N 1 0 294.355 1.097 20 5 CDBDRO C[C@H](NC(=O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000193555331 372719773 /nfs/dbraw/zinc/71/97/73/372719773.db2.gz QYNKJDUFRSESOM-VIFPVBQESA-N 1 0 251.286 1.334 20 5 CDBDRO [NH3+]CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000383284639 372999843 /nfs/dbraw/zinc/99/98/43/372999843.db2.gz KCGZSIFPYHTAHK-SECBINFHSA-N 1 0 288.254 1.699 20 5 CDBDRO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000298442412 373601771 /nfs/dbraw/zinc/60/17/71/373601771.db2.gz WLDVZSNFUXOKPN-SECBINFHSA-N 1 0 266.301 1.666 20 5 CDBDRO COc1ccc(OCC[N@H+](C)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000266534319 373958422 /nfs/dbraw/zinc/95/84/22/373958422.db2.gz NETOWQZGWYECKI-LLVKDONJSA-N 1 0 296.323 1.703 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCC[NH2+]C1 ZINC000091554627 374036216 /nfs/dbraw/zinc/03/62/16/374036216.db2.gz NTLHLONECYVWJP-SNVBAGLBSA-N 1 0 267.333 1.531 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000312148835 374278338 /nfs/dbraw/zinc/27/83/38/374278338.db2.gz IRDSXLFDCZNSHW-FMFIFOJESA-N 1 0 275.308 1.558 20 5 CDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1C[NH2+]C1 ZINC000423482461 374385335 /nfs/dbraw/zinc/38/53/35/374385335.db2.gz PDDRDCUBCOLCJN-UHFFFAOYSA-N 1 0 295.364 1.656 20 5 CDBDRO C[C@@H](CO)[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000347173508 374410024 /nfs/dbraw/zinc/41/00/24/374410024.db2.gz TULXNTBGXAEJRG-NSHDSACASA-N 1 0 282.344 1.417 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1CN(CCO)CCCO ZINC000116279849 374463256 /nfs/dbraw/zinc/46/32/56/374463256.db2.gz SGACNCKCTVYFPM-UHFFFAOYSA-N 1 0 288.731 1.425 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000070145842 374650602 /nfs/dbraw/zinc/65/06/02/374650602.db2.gz CIHTXDNFWKBJNY-KOLCDFICSA-N 1 0 277.324 1.713 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000070172560 374653965 /nfs/dbraw/zinc/65/39/65/374653965.db2.gz VIOAPSPGLWZCBC-RKDXNWHRSA-N 1 0 266.301 1.122 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(C(N)=O)CC1 ZINC000449239409 374794146 /nfs/dbraw/zinc/79/41/46/374794146.db2.gz JJKLXGFLIYCASG-VIFPVBQESA-N 1 0 263.297 1.133 20 5 CDBDRO CC1=C(C)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000280488706 374997933 /nfs/dbraw/zinc/99/79/33/374997933.db2.gz BAIQFYAOXPAZQH-CYBMUJFWSA-N 1 0 280.328 1.194 20 5 CDBDRO CNC(=O)[C@@]1(C)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000280677918 375011649 /nfs/dbraw/zinc/01/16/49/375011649.db2.gz FPNPTCDRFCKOBT-HNNXBMFYSA-N 1 0 291.351 1.595 20 5 CDBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000131200268 375188173 /nfs/dbraw/zinc/18/81/73/375188173.db2.gz KACYJKDMYCBKMM-UHFFFAOYSA-N 1 0 265.313 1.629 20 5 CDBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000350682015 375224773 /nfs/dbraw/zinc/22/47/73/375224773.db2.gz NAIBNKVULLRUBS-JTQLQIEISA-N 1 0 297.359 1.558 20 5 CDBDRO C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1C ZINC000351938038 375342662 /nfs/dbraw/zinc/34/26/62/375342662.db2.gz WTNIJYUSUPFNAK-OLZOCXBDSA-N 1 0 293.367 1.998 20 5 CDBDRO C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1CO ZINC000227196490 375462163 /nfs/dbraw/zinc/46/21/63/375462163.db2.gz NBERYAKNGLFGIG-TVQRCGJNSA-N 1 0 295.295 1.706 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000132562422 375525285 /nfs/dbraw/zinc/52/52/85/375525285.db2.gz DBSPPJYQUBSHDT-SECBINFHSA-N 1 0 297.742 1.978 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCC(=O)NC1 ZINC000344846459 375620160 /nfs/dbraw/zinc/62/01/60/375620160.db2.gz IVUFQZQJUKRPAM-HJTPGIPUSA-N 1 0 289.335 1.866 20 5 CDBDRO [NH3+]CC[C@H]1CCCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000228393107 375755487 /nfs/dbraw/zinc/75/54/87/375755487.db2.gz TUMYFUSSYCZXDY-CYBMUJFWSA-N 1 0 291.351 1.867 20 5 CDBDRO CSC[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000217848022 375748880 /nfs/dbraw/zinc/74/88/80/375748880.db2.gz KCWOTCOQTUYSHF-LBPRGKRZSA-N 1 0 270.354 1.798 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCN2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428040576 247233465 /nfs/dbraw/zinc/23/34/65/247233465.db2.gz WRUOGAWMRXUPRG-DOMZBBRYSA-N 1 0 291.351 1.657 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000357290620 375896246 /nfs/dbraw/zinc/89/62/46/375896246.db2.gz CYFLFKKXTWMTMV-ZDSQKVDBSA-N 1 0 292.339 1.415 20 5 CDBDRO C[C@@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000358258331 375959141 /nfs/dbraw/zinc/95/91/41/375959141.db2.gz SXUXUVWNEVBUHP-RISCZKNCSA-N 1 0 279.340 1.312 20 5 CDBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000430630827 247674636 /nfs/dbraw/zinc/67/46/36/247674636.db2.gz SQAHXKJPFIZPHX-GHMZBOCLSA-N 1 0 292.339 1.263 20 5 CDBDRO CCN(CCC[NH+](CC)CC)c1c([N+](=O)[O-])ncn1C ZINC000350724526 284590454 /nfs/dbraw/zinc/59/04/54/284590454.db2.gz LNCZTMAPXGIOED-UHFFFAOYSA-N 1 0 283.376 1.887 20 5 CDBDRO O=[N+]([O-])c1cccc(OCCN(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000435246667 248162767 /nfs/dbraw/zinc/16/27/67/248162767.db2.gz RVVLTJHCJWUPEO-CQSZACIVSA-N 1 0 291.351 1.800 20 5 CDBDRO CC(C)S(=O)(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000232789277 377925752 /nfs/dbraw/zinc/92/57/52/377925752.db2.gz BCDKTDYAWDXEPD-UHFFFAOYSA-N 1 0 286.353 1.508 20 5 CDBDRO C[C@@H](c1ccco1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173583457 378669274 /nfs/dbraw/zinc/66/92/74/378669274.db2.gz GGBFAOMMHQROCV-JQWIXIFHSA-N 1 0 294.311 1.438 20 5 CDBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000173577459 378645408 /nfs/dbraw/zinc/64/54/08/378645408.db2.gz YOZVUXOEZUKSHK-LLVKDONJSA-N 1 0 296.323 1.439 20 5 CDBDRO CCOC[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446835537 250319710 /nfs/dbraw/zinc/31/97/10/250319710.db2.gz PCNOTGRLDKRJBL-SECBINFHSA-N 1 0 278.312 1.986 20 5 CDBDRO COc1ccc(CN2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000041029940 379245571 /nfs/dbraw/zinc/24/55/71/379245571.db2.gz AVVGSXSURWPGBV-LLVKDONJSA-N 1 0 265.313 1.527 20 5 CDBDRO CC[NH+](CC)C[C@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000041676988 379442469 /nfs/dbraw/zinc/44/24/69/379442469.db2.gz OGVSWERWCZSHJR-VIFPVBQESA-N 1 0 253.306 1.527 20 5 CDBDRO CCc1ccc(C(=O)NCC[N@@H+](C)CC)cc1[N+](=O)[O-] ZINC000174232083 379398619 /nfs/dbraw/zinc/39/86/19/379398619.db2.gz JDWPOPAPYOKSJV-UHFFFAOYSA-N 1 0 279.340 1.839 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000042167170 379549564 /nfs/dbraw/zinc/54/95/64/379549564.db2.gz FKOXMLRQDUTJEP-SNVBAGLBSA-N 1 0 263.297 1.984 20 5 CDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000174699419 379555695 /nfs/dbraw/zinc/55/56/95/379555695.db2.gz VQLSQJJIZFDSNX-GFCCVEGCSA-N 1 0 268.317 1.027 20 5 CDBDRO Cc1nc(N[C@@H]2CCC[N@H+](C)[C@H]2C)ncc1[N+](=O)[O-] ZINC000450435726 251282131 /nfs/dbraw/zinc/28/21/31/251282131.db2.gz IDSXQOUFLKRVNY-VHSXEESVSA-N 1 0 265.317 1.588 20 5 CDBDRO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000450669102 251396195 /nfs/dbraw/zinc/39/61/95/251396195.db2.gz BAOAZLXAULWACI-ZWKOPEQDSA-N 1 0 266.297 1.659 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000452572891 252099460 /nfs/dbraw/zinc/09/94/60/252099460.db2.gz LBWNESAKAWZVMN-COPLHBTASA-N 1 0 291.351 1.970 20 5 CDBDRO C[C@H]1C[NH2+]CCN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493184365 253391797 /nfs/dbraw/zinc/39/17/97/253391797.db2.gz HCKUBQZSJQLITC-ATPLWMGHSA-N 1 0 293.298 1.567 20 5 CDBDRO O=[N+]([O-])c1cccc(Cl)c1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000236047781 285155103 /nfs/dbraw/zinc/15/51/03/285155103.db2.gz YQSRYVWSQCGOSN-DTORHVGOSA-N 1 0 267.716 1.904 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@H]([NH+]3CCCC3)C2)nc1 ZINC000302123245 285176760 /nfs/dbraw/zinc/17/67/60/285176760.db2.gz VEYUCLDAFRGLLT-JTQLQIEISA-N 1 0 263.301 1.059 20 5 CDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCC[N@@H+]1C ZINC000288458098 197084623 /nfs/dbraw/zinc/08/46/23/197084623.db2.gz UCGXWXWMOAEAFM-CQSZACIVSA-N 1 0 291.351 1.690 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000163233583 390178897 /nfs/dbraw/zinc/17/88/97/390178897.db2.gz KRLDFLWPOBXKJD-ZJUUUORDSA-N 1 0 267.304 1.903 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000043571152 390277419 /nfs/dbraw/zinc/27/74/19/390277419.db2.gz JFGJRQXVXOMONQ-QMMMGPOBSA-N 1 0 267.260 1.297 20 5 CDBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C12CCC2 ZINC000451474910 390626050 /nfs/dbraw/zinc/62/60/50/390626050.db2.gz QZCHILLHNHNQNG-NEPJUHHUSA-N 1 0 294.355 1.766 20 5 CDBDRO COC[C@@]1(C)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000451202783 390604898 /nfs/dbraw/zinc/60/48/98/390604898.db2.gz PPNLVTVGVJDKDF-LBPRGKRZSA-N 1 0 268.317 1.150 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000540175325 390615261 /nfs/dbraw/zinc/61/52/61/390615261.db2.gz TYEWUOMSWGSKMI-GHMZBOCLSA-N 1 0 277.324 1.785 20 5 CDBDRO O=[N+]([O-])c1ccn(CCN2CCOC3(CCCC3)C2)n1 ZINC000158342385 390682163 /nfs/dbraw/zinc/68/21/63/390682163.db2.gz SMSQJBXEOGIVSB-UHFFFAOYSA-N 1 0 280.328 1.436 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000050228725 390798751 /nfs/dbraw/zinc/79/87/51/390798751.db2.gz UBNAXULJVKUNFR-MRVPVSSYSA-N 1 0 269.688 1.421 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000574398469 390839486 /nfs/dbraw/zinc/83/94/86/390839486.db2.gz DWAOZWVJHNCOMO-UHFFFAOYSA-N 1 0 279.340 1.887 20 5 CDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@](C)(O)C1 ZINC000248345447 390935204 /nfs/dbraw/zinc/93/52/04/390935204.db2.gz MTZHGOQGAVEWSM-HZMBPMFUSA-N 1 0 293.323 1.379 20 5 CDBDRO C[C@@H](C[NH3+])N(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000430915250 390942387 /nfs/dbraw/zinc/94/23/87/390942387.db2.gz CBSVOPXVNOGEMT-VIFPVBQESA-N 1 0 291.311 1.424 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C(N)=O ZINC000346672155 391118565 /nfs/dbraw/zinc/11/85/65/391118565.db2.gz TUOLEKHFPMKAQW-RKDXNWHRSA-N 1 0 297.742 1.801 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000517406045 391125551 /nfs/dbraw/zinc/12/55/51/391125551.db2.gz SGWRIOSHRFCDRS-JRFBKZHLSA-N 1 0 292.335 1.738 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH2+]CC1 ZINC000415495587 391467782 /nfs/dbraw/zinc/46/77/82/391467782.db2.gz FUTOURISANCLJD-UHFFFAOYSA-N 1 0 278.312 1.777 20 5 CDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ncc([N+](=O)[O-])s2)C1 ZINC000248891156 391483718 /nfs/dbraw/zinc/48/37/18/391483718.db2.gz AZHGJHIJSSFLIN-VHSXEESVSA-N 1 0 282.369 1.972 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000261821219 391709304 /nfs/dbraw/zinc/70/93/04/391709304.db2.gz OCZBDRNOGLHECE-KOLCDFICSA-N 1 0 292.339 1.376 20 5 CDBDRO CC(C)[C@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000487122177 391991373 /nfs/dbraw/zinc/99/13/73/391991373.db2.gz UVRNWOIBALKVBU-LLVKDONJSA-N 1 0 265.317 1.161 20 5 CDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCC[NH3+] ZINC000237256082 131018604 /nfs/dbraw/zinc/01/86/04/131018604.db2.gz GPFNQSQSEDBNOK-UHFFFAOYSA-N 1 0 285.731 1.946 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H](C)C[NH3+] ZINC000237459373 131033373 /nfs/dbraw/zinc/03/33/73/131033373.db2.gz FZYWBBYQTPCHBQ-VIFPVBQESA-N 1 0 251.286 1.322 20 5 CDBDRO CN(CC(C)(C)C[NH3+])C(=O)COc1ccccc1[N+](=O)[O-] ZINC000262579236 131235824 /nfs/dbraw/zinc/23/58/24/131235824.db2.gz IBGYKGMBUWHPJX-UHFFFAOYSA-N 1 0 295.339 1.417 20 5 CDBDRO CCC[C@](C)([NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000262702419 131252346 /nfs/dbraw/zinc/25/23/46/131252346.db2.gz JJKWHCYIIOQOGQ-AWEZNQCLSA-N 1 0 279.340 1.771 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000262880739 131270316 /nfs/dbraw/zinc/27/03/16/131270316.db2.gz NJKLWGVFTWJTQU-DGCLKSJQSA-N 1 0 291.351 1.784 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000262912988 131272754 /nfs/dbraw/zinc/27/27/54/131272754.db2.gz YQWUFBRFZYKHBL-JQWIXIFHSA-N 1 0 277.324 1.252 20 5 CDBDRO CC[N@H+](CCNC(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000263789647 131331427 /nfs/dbraw/zinc/33/14/27/131331427.db2.gz WZBDJJUXJUPQKS-UHFFFAOYSA-N 1 0 283.353 1.870 20 5 CDBDRO CN(C)CC(C)(C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000459536240 392459975 /nfs/dbraw/zinc/45/99/75/392459975.db2.gz KUTZVLFGUKVUBC-UHFFFAOYSA-N 1 0 281.356 1.903 20 5 CDBDRO C[NH+](C)C1CN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000270884758 392510852 /nfs/dbraw/zinc/51/08/52/392510852.db2.gz PLABRSNAXINRNY-UHFFFAOYSA-N 1 0 255.705 1.998 20 5 CDBDRO CC(C)([NH3+])CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000122268138 392516940 /nfs/dbraw/zinc/51/69/40/392516940.db2.gz VUOOKWLWXTYCQS-UHFFFAOYSA-N 1 0 271.704 1.715 20 5 CDBDRO CO[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1OC ZINC000488553300 392694121 /nfs/dbraw/zinc/69/41/21/392694121.db2.gz DPIASKWAKKFFQB-ZIAGYGMSSA-N 1 0 280.324 1.749 20 5 CDBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000273227361 392718450 /nfs/dbraw/zinc/71/84/50/392718450.db2.gz WFCKVTDCLIRVGT-NSHDSACASA-N 1 0 279.344 1.553 20 5 CDBDRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000419832647 392897599 /nfs/dbraw/zinc/89/75/99/392897599.db2.gz VOYFAKSLWDDUGI-GXTWGEPZSA-N 1 0 282.340 1.515 20 5 CDBDRO Cc1c(C(=O)NCC[N@H+]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000524719863 392918161 /nfs/dbraw/zinc/91/81/61/392918161.db2.gz NQURVYQCBRRUOQ-NSHDSACASA-N 1 0 291.351 1.975 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000268836149 132073598 /nfs/dbraw/zinc/07/35/98/132073598.db2.gz NQGDFGSMBWCORZ-PWSUYJOCSA-N 1 0 277.324 1.785 20 5 CDBDRO CCc1ccc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000269265303 132146781 /nfs/dbraw/zinc/14/67/81/132146781.db2.gz KLURQETUHOKSAV-GWCFXTLKSA-N 1 0 291.351 1.967 20 5 CDBDRO Cc1c(CC(=O)N2CC[NH2+][C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000423622905 392965230 /nfs/dbraw/zinc/96/52/30/392965230.db2.gz ZQHIYMANGSLCDJ-VXGBXAGGSA-N 1 0 291.351 1.655 20 5 CDBDRO Cc1c(CC(=O)N[C@H]2CCC[NH2+][C@H]2C)cccc1[N+](=O)[O-] ZINC000423611390 392965860 /nfs/dbraw/zinc/96/58/60/392965860.db2.gz NJIANQNOXSKCCE-AAEUAGOBSA-N 1 0 291.351 1.702 20 5 CDBDRO CC[N@@H+]1CC[C@H](N(C)Cc2c([N+](=O)[O-])ncn2C)[C@H](C)C1 ZINC000429793164 393087315 /nfs/dbraw/zinc/08/73/15/393087315.db2.gz VHUKCJQMKUIVGC-NEPJUHHUSA-N 1 0 295.387 1.490 20 5 CDBDRO C[NH2+][C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430624147 393103283 /nfs/dbraw/zinc/10/32/83/393103283.db2.gz IHYUVWHETBPLNO-SECBINFHSA-N 1 0 276.296 1.530 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCN1CCO[C@@H](C)C1 ZINC000530474960 393051425 /nfs/dbraw/zinc/05/14/25/393051425.db2.gz FYHKOIISQURQPY-JTQLQIEISA-N 1 0 297.359 1.252 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)NC1 ZINC000449134152 393128889 /nfs/dbraw/zinc/12/88/89/393128889.db2.gz HFJWZMYBZHLZSU-CMPLNLGQSA-N 1 0 277.324 1.394 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000449591409 393136041 /nfs/dbraw/zinc/13/60/41/393136041.db2.gz QGCBBBKSHCHGHH-ZJUUUORDSA-N 1 0 281.312 1.216 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000449656428 393137493 /nfs/dbraw/zinc/13/74/93/393137493.db2.gz KUKQTPUFBBDXEH-NSHDSACASA-N 1 0 299.277 1.630 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280805073 393152120 /nfs/dbraw/zinc/15/21/20/393152120.db2.gz SMGMEHRUQAKZJX-YGRLFVJLSA-N 1 0 277.324 1.853 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCn3ccnc3C2)c1 ZINC000494445444 393233085 /nfs/dbraw/zinc/23/30/85/393233085.db2.gz QSQPTKAWYFGPEO-LBPRGKRZSA-N 1 0 272.308 1.896 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](O)C(F)F)cs1 ZINC000226576275 140180613 /nfs/dbraw/zinc/18/06/13/140180613.db2.gz PRMICWLNYNCGFN-ZCFIWIBFSA-N 1 0 252.242 1.372 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000227190505 140183311 /nfs/dbraw/zinc/18/33/11/140183311.db2.gz CZKOTEREMATQRE-QWRGUYRKSA-N 1 0 264.329 1.862 20 5 CDBDRO COc1cc(NC[C@@H]2C[NH2+]CCO2)c(F)cc1[N+](=O)[O-] ZINC000227861042 140188789 /nfs/dbraw/zinc/18/87/89/140188789.db2.gz WWQGBHNMNSKSGX-QMMMGPOBSA-N 1 0 285.275 1.143 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000230071335 140206488 /nfs/dbraw/zinc/20/64/88/140206488.db2.gz UNGOUAMXTADJPD-FPMFFAJLSA-N 1 0 289.335 1.794 20 5 CDBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000231475636 140216463 /nfs/dbraw/zinc/21/64/63/140216463.db2.gz SPDZTEXEJAHVRP-GFCCVEGCSA-N 1 0 277.324 1.809 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000235319488 140234636 /nfs/dbraw/zinc/23/46/36/140234636.db2.gz WIQMGCSJIKCXFJ-BXKDBHETSA-N 1 0 263.297 1.322 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000261545870 140344930 /nfs/dbraw/zinc/34/49/30/140344930.db2.gz LIEAZFWSOZXOEO-QMMMGPOBSA-N 1 0 254.290 1.026 20 5 CDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000261546497 140345294 /nfs/dbraw/zinc/34/52/94/140345294.db2.gz ZUYYFGBNXUYVFV-MRVPVSSYSA-N 1 0 271.342 1.760 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCC[NH2+]C1 ZINC000261570893 140351559 /nfs/dbraw/zinc/35/15/59/140351559.db2.gz KRUADMDNCLJSIK-SECBINFHSA-N 1 0 253.306 1.284 20 5 CDBDRO [NH3+]C1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000261594534 140359906 /nfs/dbraw/zinc/35/99/06/140359906.db2.gz ZVDBZAKWBNNSHA-UHFFFAOYSA-N 1 0 253.277 1.657 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000261602090 140360813 /nfs/dbraw/zinc/36/08/13/140360813.db2.gz QHSMHPXMUBWXED-KWCYVHTRSA-N 1 0 261.325 1.764 20 5 CDBDRO Cc1c(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000261773603 140387881 /nfs/dbraw/zinc/38/78/81/140387881.db2.gz WERPXYBEBYBGRX-WCQYABFASA-N 1 0 289.335 1.727 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063201147 296516943 /nfs/dbraw/zinc/51/69/43/296516943.db2.gz YRHRAMHGRJYSMZ-GFCCVEGCSA-N 1 0 276.340 1.958 20 5 CDBDRO C[NH2+]CCN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423226490 397602858 /nfs/dbraw/zinc/60/28/58/397602858.db2.gz QWPYSZUVPANFCF-SNVBAGLBSA-N 1 0 280.328 1.121 20 5 CDBDRO Cc1c(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)cccc1[N+](=O)[O-] ZINC000261669993 397851861 /nfs/dbraw/zinc/85/18/61/397851861.db2.gz ZYZNTJXAEMEZAD-ONGXEEELSA-N 1 0 263.297 1.465 20 5 CDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000248693622 148881541 /nfs/dbraw/zinc/88/15/41/148881541.db2.gz YGXMPUJNZAPKNG-WCFLWFBJSA-N 1 0 275.308 1.404 20 5 CDBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000312856183 149239702 /nfs/dbraw/zinc/23/97/02/149239702.db2.gz PULRLPREAIPOKW-GFCCVEGCSA-N 1 0 280.324 1.950 20 5 CDBDRO [NH3+]CCN(Cc1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000348932695 154010110 /nfs/dbraw/zinc/01/01/10/154010110.db2.gz GCZVAEMIPHXYBI-UHFFFAOYSA-N 1 0 272.308 1.955 20 5 CDBDRO CC[N@H+](C[C@@H](C)O)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000352221440 155034576 /nfs/dbraw/zinc/03/45/76/155034576.db2.gz MCNZJIZYAOAKQF-GHMZBOCLSA-N 1 0 295.339 1.625 20 5 CDBDRO Cc1cc(N2CCC[NH2+]CC2)c(F)cc1[N+](=O)[O-] ZINC000310841497 289422979 /nfs/dbraw/zinc/42/29/79/289422979.db2.gz HRPXBGMJVCWNFD-UHFFFAOYSA-N 1 0 253.277 1.842 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@H]2CC[C@H](CO)O2)cc1[N+](=O)[O-] ZINC000353709909 156032623 /nfs/dbraw/zinc/03/26/23/156032623.db2.gz SQWBABMWSRBSQI-CHWSQXEVSA-N 1 0 280.324 1.533 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000359025480 158102647 /nfs/dbraw/zinc/10/26/47/158102647.db2.gz DXNQQXMEQRFYBJ-VHSXEESVSA-N 1 0 293.327 1.016 20 5 CDBDRO CC(C)C[N@@H+]1CC[C@H](CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000362560418 159180056 /nfs/dbraw/zinc/18/00/56/159180056.db2.gz HIQHUSSJSAISGZ-LLVKDONJSA-N 1 0 281.360 1.718 20 5 CDBDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000362595465 159190159 /nfs/dbraw/zinc/19/01/59/159190159.db2.gz CYVZXZIQJAKPAY-SMDDNHRTSA-N 1 0 291.351 1.451 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CC3(C2)CCCCC3)c1 ZINC000363981150 159360970 /nfs/dbraw/zinc/36/09/70/159360970.db2.gz ZZCPYFORXOJMHX-CYBMUJFWSA-N 1 0 294.355 1.418 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOCC3(CCC3)C2)n1 ZINC000371900386 160060547 /nfs/dbraw/zinc/06/05/47/160060547.db2.gz XUMOQCIBCXKJJS-UHFFFAOYSA-N 1 0 280.328 1.294 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000168699662 286925719 /nfs/dbraw/zinc/92/57/19/286925719.db2.gz ORXZBMIFYXFFIT-BDAKNGLRSA-N 1 0 281.287 1.543 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000007960751 170309912 /nfs/dbraw/zinc/30/99/12/170309912.db2.gz NPKOIUBWEGZBEA-CYBMUJFWSA-N 1 0 277.324 1.809 20 5 CDBDRO Cc1cccc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC000261610192 292561083 /nfs/dbraw/zinc/56/10/83/292561083.db2.gz SHPWMCOYTSYCTL-VXGBXAGGSA-N 1 0 261.325 1.949 20 5 CDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285522820 196312939 /nfs/dbraw/zinc/31/29/39/196312939.db2.gz BFXAGLHHIREMPJ-JTQLQIEISA-N 1 0 295.343 1.122 20 5 CDBDRO [NH3+]CC1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000044512967 175188879 /nfs/dbraw/zinc/18/88/79/175188879.db2.gz XDNAZBSCBNIIJR-ZZXKWVIFSA-N 1 0 289.335 1.805 20 5 CDBDRO COc1ccc(CN2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000044559177 175204145 /nfs/dbraw/zinc/20/41/45/175204145.db2.gz IRADBENSXXRXON-LBPRGKRZSA-N 1 0 279.340 1.917 20 5 CDBDRO Cc1nn(C)c(N[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000044725808 175238062 /nfs/dbraw/zinc/23/80/62/175238062.db2.gz ZWOLGXZPLMNLFG-VIFPVBQESA-N 1 0 265.317 1.285 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](O)C2)c1 ZINC000046055621 175391443 /nfs/dbraw/zinc/39/14/43/175391443.db2.gz HNSXDTBGXQJQGO-LBPRGKRZSA-N 1 0 266.297 1.430 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000071143723 176040940 /nfs/dbraw/zinc/04/09/40/176040940.db2.gz ZPEZFQIGBDPJOB-WXJAXGNASA-N 1 0 289.335 1.676 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000071397148 176150854 /nfs/dbraw/zinc/15/08/54/176150854.db2.gz VUVVFKDQGHZUQX-MRVPVSSYSA-N 1 0 283.715 1.730 20 5 CDBDRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000390103550 262122361 /nfs/dbraw/zinc/12/23/61/262122361.db2.gz IINQMPRAOPGZQH-GFCCVEGCSA-N 1 0 294.311 1.095 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCn2cccn2)cc1 ZINC000049076589 424352505 /nfs/dbraw/zinc/35/25/05/424352505.db2.gz PVEQEIIBZPWCJD-UHFFFAOYSA-N 1 0 260.297 1.624 20 5 CDBDRO CC(C)[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])[C@@H](C)[NH3+] ZINC000399720879 270374996 /nfs/dbraw/zinc/37/49/96/270374996.db2.gz IGIRESGAZWVZOA-ZWNOBZJWSA-N 1 0 279.340 1.830 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000307888741 273591535 /nfs/dbraw/zinc/59/15/35/273591535.db2.gz AATJADUFLSZHJN-QMMMGPOBSA-N 1 0 269.326 1.527 20 5 CDBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCS1 ZINC000131775441 274350010 /nfs/dbraw/zinc/35/00/10/274350010.db2.gz SJOJYKDCXXIPKL-SNVBAGLBSA-N 1 0 283.353 1.194 20 5 CDBDRO CC1(C)CN(c2ccc(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000212819194 276135628 /nfs/dbraw/zinc/13/56/28/276135628.db2.gz GJDFJBUKHUOQOO-UHFFFAOYSA-N 1 0 253.277 1.922 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000156601572 277027934 /nfs/dbraw/zinc/02/79/34/277027934.db2.gz OVDQYGUGXKKNBH-LBPRGKRZSA-N 1 0 278.312 1.811 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000037669577 277049672 /nfs/dbraw/zinc/04/96/72/277049672.db2.gz TWWPUTAKCWDUFT-UHFFFAOYSA-N 1 0 281.287 1.512 20 5 CDBDRO COC(C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000037566698 277178793 /nfs/dbraw/zinc/17/87/93/277178793.db2.gz QHHPLXDKXRMGNY-VIFPVBQESA-N 1 0 254.286 1.864 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054369556 277932926 /nfs/dbraw/zinc/93/29/26/277932926.db2.gz IWQFWVUGDGUBST-MRVPVSSYSA-N 1 0 267.260 1.168 20 5 CDBDRO C[C@H]1CCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000281889989 278355108 /nfs/dbraw/zinc/35/51/08/278355108.db2.gz AVYFTZCJIDEGDF-CMPLNLGQSA-N 1 0 265.313 1.535 20 5 CDBDRO Cc1cccc(N2CCN([C@@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000261598800 278922717 /nfs/dbraw/zinc/92/27/17/278922717.db2.gz AXZKMTPHOXTFQT-CYBMUJFWSA-N 1 0 290.367 1.387 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251880470 280518507 /nfs/dbraw/zinc/51/85/07/280518507.db2.gz USTBMTKVFARWFK-WLFDKREMSA-N 1 0 289.335 1.804 20 5 CDBDRO Cc1cnc(N2CC[C@@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000266230542 280542222 /nfs/dbraw/zinc/54/22/22/280542222.db2.gz UEJKELAUNCMNMD-GFCCVEGCSA-N 1 0 274.324 1.749 20 5 CDBDRO COCC(C)(C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000154875560 289220313 /nfs/dbraw/zinc/22/03/13/289220313.db2.gz JLZCKYVYUZRBAP-UHFFFAOYSA-N 1 0 295.339 1.856 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255519963 289374881 /nfs/dbraw/zinc/37/48/81/289374881.db2.gz ZFJUNABHOFRMPO-MFCDUJOTSA-N 1 0 289.335 1.994 20 5 CDBDRO COC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000541595420 289501690 /nfs/dbraw/zinc/50/16/90/289501690.db2.gz NMXHZJMRSSOLNQ-SECBINFHSA-N 1 0 256.306 1.089 20 5 CDBDRO C[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000547756129 289804081 /nfs/dbraw/zinc/80/40/81/289804081.db2.gz ARBGVZSXDFLKRX-JTQLQIEISA-N 1 0 295.343 1.170 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000557140860 290331132 /nfs/dbraw/zinc/33/11/32/290331132.db2.gz ZZKSHZWYTYEYJW-SECBINFHSA-N 1 0 266.301 1.083 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[C@H]2CC[NH2+]C2)cc1CO ZINC000564839863 293429063 /nfs/dbraw/zinc/42/90/63/293429063.db2.gz GGPRUBPDQMCBFJ-SNVBAGLBSA-N 1 0 266.297 1.466 20 5 CDBDRO COC[C@@H](C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567681140 293837482 /nfs/dbraw/zinc/83/74/82/293837482.db2.gz KYDQCKIJJQIUIJ-NSHDSACASA-N 1 0 295.339 1.796 20 5 CDBDRO CC[C@@H]([NH3+])C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000569344254 294188542 /nfs/dbraw/zinc/18/85/42/294188542.db2.gz BZCUEKZUACFGJM-CYBMUJFWSA-N 1 0 277.324 1.823 20 5 CDBDRO CC[C@H](O)CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000571209311 294389770 /nfs/dbraw/zinc/38/97/70/294389770.db2.gz QWPIDAJWSITUGQ-QWHCGFSZSA-N 1 0 298.339 1.085 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@@H]1CC[NH2+]C1 ZINC000572524502 294640907 /nfs/dbraw/zinc/64/09/07/294640907.db2.gz UJHRRWBGHRFANC-LLVKDONJSA-N 1 0 292.339 1.135 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000382469341 323643331 /nfs/dbraw/zinc/64/33/31/323643331.db2.gz OUDMURQSZJZTJX-RKDXNWHRSA-N 1 0 281.287 1.591 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000387545711 323773183 /nfs/dbraw/zinc/77/31/83/323773183.db2.gz QOGLBCHLMNCQTM-SECBINFHSA-N 1 0 266.301 1.714 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000389762305 323809949 /nfs/dbraw/zinc/80/99/49/323809949.db2.gz YRYPDVOVZSSUKB-PSASIEDQSA-N 1 0 297.742 1.976 20 5 CDBDRO CSC[C@H](O)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000579583973 324223219 /nfs/dbraw/zinc/22/32/19/324223219.db2.gz UIGGBRLHRAOFBJ-SECBINFHSA-N 1 0 296.352 1.285 20 5 CDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCn2nccc2[N+](=O)[O-])C1 ZINC000581835577 324842966 /nfs/dbraw/zinc/84/29/66/324842966.db2.gz DXLFELYCUNDRPZ-GHMZBOCLSA-N 1 0 252.318 1.769 20 5 CDBDRO CC[C@H](CO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582617419 325011620 /nfs/dbraw/zinc/01/16/20/325011620.db2.gz VYIDZPXRFZGAKB-SKDRFNHKSA-N 1 0 250.298 1.943 20 5 CDBDRO O=C(CC[NH2+]C1CC1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000583822362 325248916 /nfs/dbraw/zinc/24/89/16/325248916.db2.gz JDPNBYIWIVQZHQ-UHFFFAOYSA-N 1 0 289.295 1.552 20 5 CDBDRO Cc1c(CNC(=O)N2CCC([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000418077933 533851357 /nfs/dbraw/zinc/85/13/57/533851357.db2.gz IRDFEXPHUXPRHS-UHFFFAOYSA-N 1 0 292.339 1.536 20 5 CDBDRO Cc1c(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000086467875 518185863 /nfs/dbraw/zinc/18/58/63/518185863.db2.gz RIUULCSXCJMKIE-ZJUUUORDSA-N 1 0 277.324 1.726 20 5 CDBDRO CC(C)CNC(=[NH2+])NCc1ccccc1[N+](=O)[O-] ZINC000052044428 519733341 /nfs/dbraw/zinc/73/33/41/519733341.db2.gz PZPRCPPTQZTGAV-UHFFFAOYSA-N 1 0 250.302 1.865 20 5 CDBDRO CC(C)OC[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000337314462 519773026 /nfs/dbraw/zinc/77/30/26/519773026.db2.gz WNTWPRGLFMQXOK-JTQLQIEISA-N 1 0 256.306 1.194 20 5 CDBDRO CCC[C@@](C)([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943256 520918026 /nfs/dbraw/zinc/91/80/26/520918026.db2.gz UEZCUNIQFNHVLB-CYBMUJFWSA-N 1 0 265.313 1.729 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000148866222 522072856 /nfs/dbraw/zinc/07/28/56/522072856.db2.gz QKCHYMBYFTZLOO-VIFPVBQESA-N 1 0 251.286 1.180 20 5 CDBDRO COC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000279011083 522356128 /nfs/dbraw/zinc/35/61/28/522356128.db2.gz FICGJIYTUCBRMP-CABCVRRESA-N 1 0 294.351 1.921 20 5 CDBDRO COc1cc(NCCCC[NH3+])c(F)cc1[N+](=O)[O-] ZINC000227856396 522739314 /nfs/dbraw/zinc/73/93/14/522739314.db2.gz UZPLHGFNUPYEHR-UHFFFAOYSA-N 1 0 257.265 1.893 20 5 CDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC1(O)CCC1 ZINC000353518254 522947848 /nfs/dbraw/zinc/94/78/48/522947848.db2.gz NJYAOKADCRHOSW-UHFFFAOYSA-N 1 0 264.325 1.984 20 5 CDBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000068192830 523849632 /nfs/dbraw/zinc/84/96/32/523849632.db2.gz SDZXTWCYPAFLML-UHFFFAOYSA-N 1 0 291.351 1.690 20 5 CDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)[N@H+](C)C1CC1 ZINC000184369820 524460725 /nfs/dbraw/zinc/46/07/25/524460725.db2.gz WJYYUDHNFVCOOI-SECBINFHSA-N 1 0 292.339 1.390 20 5 CDBDRO C[C@H]([NH2+]CCc1ncn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000148731148 525373315 /nfs/dbraw/zinc/37/33/15/525373315.db2.gz MALDCJZVIPRHOO-JTQLQIEISA-N 1 0 275.312 1.617 20 5 CDBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000052336801 525408395 /nfs/dbraw/zinc/40/83/95/525408395.db2.gz BPRMXFZPYNHTLS-FZMZJTMJSA-N 1 0 296.371 1.711 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000158039393 525454326 /nfs/dbraw/zinc/45/43/26/525454326.db2.gz RKRTUVIXNHGTIM-BXKDBHETSA-N 1 0 293.323 1.461 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCCCCO)C2)nc1 ZINC000304311081 534882050 /nfs/dbraw/zinc/88/20/50/534882050.db2.gz MBHADFVBHAOJPE-GFCCVEGCSA-N 1 0 294.355 1.639 20 5 CDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1C[C@]12CC[NH2+]C2 ZINC000373440552 526760607 /nfs/dbraw/zinc/76/06/07/526760607.db2.gz OETYYIOPFMVPGF-RISCZKNCSA-N 1 0 275.308 1.211 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000363749344 526777928 /nfs/dbraw/zinc/77/79/28/526777928.db2.gz KBJANSFOZFJLJV-UHFFFAOYSA-N 1 0 289.335 1.951 20 5 CDBDRO [NH3+]C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000236266926 527227764 /nfs/dbraw/zinc/22/77/64/527227764.db2.gz FOZSSGCEVBUXPM-ZDUSSCGKSA-N 1 0 295.314 1.981 20 5 CDBDRO CN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC([NH3+])C1 ZINC000417227125 536034104 /nfs/dbraw/zinc/03/41/04/536034104.db2.gz LGQLUYNEXQNIAW-UHFFFAOYSA-N 1 0 292.339 1.268 20 5 CDBDRO CCc1nn(C)c(NC[C@@H](C)C[NH2+]C)c1[N+](=O)[O-] ZINC000129511764 536181259 /nfs/dbraw/zinc/18/12/59/536181259.db2.gz XFSNQUJKKDPESV-QMMMGPOBSA-N 1 0 255.322 1.158 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000269106285 536369848 /nfs/dbraw/zinc/36/98/48/536369848.db2.gz BUQDBBONMJCTES-LLVKDONJSA-N 1 0 293.323 1.184 20 5 CDBDRO COc1ccc(C[NH2+]CCc2ncn(C)n2)cc1[N+](=O)[O-] ZINC000095016026 536893143 /nfs/dbraw/zinc/89/31/43/536893143.db2.gz QRSCHZWCNYXAQB-UHFFFAOYSA-N 1 0 291.311 1.064 20 5 CDBDRO CC(C)(C)[NH2+]CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000729269556 574743440 /nfs/dbraw/zinc/74/34/40/574743440.db2.gz XDPDRNCTYXIZJP-UHFFFAOYSA-N 1 0 280.328 1.295 20 5 CDBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)NC ZINC000734058825 575155103 /nfs/dbraw/zinc/15/51/03/575155103.db2.gz ZUDYOCCGIGPZGJ-UHFFFAOYSA-N 1 0 265.313 1.205 20 5 CDBDRO C[NH+]1CCC(ONC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000773550276 575823741 /nfs/dbraw/zinc/82/37/41/575823741.db2.gz ACKJOWDNNMXBLH-UHFFFAOYSA-N 1 0 297.286 1.490 20 5 CDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c2nonc21 ZINC000768526615 576292936 /nfs/dbraw/zinc/29/29/36/576292936.db2.gz OFIDXKVALVSSFK-IUCAKERBSA-N 1 0 291.311 1.660 20 5 CDBDRO C[C@@H](C(=O)N1CCN(C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000761954274 576608678 /nfs/dbraw/zinc/60/86/78/576608678.db2.gz LIRAKKMNLHKPBS-VXGBXAGGSA-N 1 0 291.351 1.861 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCOCC2)c1 ZINC000749677724 576957334 /nfs/dbraw/zinc/95/73/34/576957334.db2.gz QUUBEEFABIOKIG-CYBMUJFWSA-N 1 0 266.297 1.397 20 5 CDBDRO C[C@@H]1COC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000932490160 617315062 /nfs/dbraw/zinc/31/50/62/617315062.db2.gz VGAYANATGLDBDE-ICCXJUOJSA-N 1 0 266.297 1.253 20 5 CDBDRO C[C@H](NC(=O)NCC1C[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000892047716 617440703 /nfs/dbraw/zinc/44/07/03/617440703.db2.gz AYOCYXWJDWYOQU-VIFPVBQESA-N 1 0 278.312 1.174 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000930721360 617519709 /nfs/dbraw/zinc/51/97/09/617519709.db2.gz IHNUJSBFVYMJPZ-CQSZACIVSA-N 1 0 294.351 1.383 20 5 CDBDRO C[C@@H]1C[N@@H+](CCCNc2c([N+](=O)[O-])cnn2C)C[C@H](C)O1 ZINC000891675311 617533727 /nfs/dbraw/zinc/53/37/27/617533727.db2.gz RUVKAVZIACJZNL-PHIMTYICSA-N 1 0 297.359 1.240 20 5 CDBDRO COc1c(O)ccc(C[NH2+]C2CCOCC2)c1[N+](=O)[O-] ZINC000892629470 617546742 /nfs/dbraw/zinc/54/67/42/617546742.db2.gz UNNOMCIDNJGNJQ-UHFFFAOYSA-N 1 0 282.296 1.578 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000931038849 617585554 /nfs/dbraw/zinc/58/55/54/617585554.db2.gz MMIUOCOAKYKJBC-KCPJHIHWSA-N 1 0 293.367 1.653 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]2CO)c(Cl)c1 ZINC000934018780 617858320 /nfs/dbraw/zinc/85/83/20/617858320.db2.gz YJNVXKQZTYLROG-SNVBAGLBSA-N 1 0 256.689 1.815 20 5 CDBDRO COC[C@H](C)C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892729928 617667764 /nfs/dbraw/zinc/66/77/64/617667764.db2.gz COXPYQZDYNQCFH-SECBINFHSA-N 1 0 284.312 1.681 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@]2(C)CCCOC2)c1[N+](=O)[O-] ZINC000893392498 617783608 /nfs/dbraw/zinc/78/36/08/617783608.db2.gz JAHOVLYOIJEBIR-CQSZACIVSA-N 1 0 296.323 1.968 20 5 CDBDRO Cc1c(C[NH2+]CC2(CO)CC2)cccc1[N+](=O)[O-] ZINC000122372256 617848674 /nfs/dbraw/zinc/84/86/74/617848674.db2.gz IDNFCWGKSAAGCE-UHFFFAOYSA-N 1 0 250.298 1.765 20 5 CDBDRO COc1c(O)ccc(C[NH2+]CC2(OC)CCC2)c1[N+](=O)[O-] ZINC000893469061 617959937 /nfs/dbraw/zinc/95/99/37/617959937.db2.gz UNBFRTPIJJTRKJ-UHFFFAOYSA-N 1 0 296.323 1.968 20 5 CDBDRO CCCC[N@H+](C)C[C@@H](C)Nc1c([N+](=O)[O-])cnn1C ZINC000893900812 618153208 /nfs/dbraw/zinc/15/32/08/618153208.db2.gz BJAIDXWKBBHFKT-SNVBAGLBSA-N 1 0 269.349 1.861 20 5 CDBDRO CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000923425350 618330655 /nfs/dbraw/zinc/33/06/55/618330655.db2.gz KTXYVPTXFIKZKA-ZIAGYGMSSA-N 1 0 279.340 1.312 20 5 CDBDRO C[C@@H](NC(=O)NCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000925240074 620608554 /nfs/dbraw/zinc/60/85/54/620608554.db2.gz ZIEPJEZSDLMMEX-SNVBAGLBSA-N 1 0 280.328 1.517 20 5 CDBDRO CN(C)[C@H](C[NH2+]CC[N+](=O)[O-])c1cccc(F)c1 ZINC000899858720 622485974 /nfs/dbraw/zinc/48/59/74/622485974.db2.gz ACQCNXVAOQSWSC-GFCCVEGCSA-N 1 0 255.293 1.295 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000899870267 622495755 /nfs/dbraw/zinc/49/57/55/622495755.db2.gz HCIVYDBIMXBXIP-UHFFFAOYSA-N 1 0 281.331 1.656 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCN1C ZINC000903314841 625970077 /nfs/dbraw/zinc/97/00/77/625970077.db2.gz CDQYXYYWWGFDFM-PWSUYJOCSA-N 1 0 279.340 1.958 20 5 CDBDRO CC(C)(C)OC(=O)N(CC[NH2+]CC[N+](=O)[O-])C1CC1 ZINC000905088377 626604672 /nfs/dbraw/zinc/60/46/72/626604672.db2.gz IBXYXJAMGYQURW-UHFFFAOYSA-N 1 0 273.333 1.252 20 5 CDBDRO CC(C)(CO)[C@@H](C[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000905178710 626663025 /nfs/dbraw/zinc/66/30/25/626663025.db2.gz CIXLIFLQFYTRHB-ZDUSSCGKSA-N 1 0 266.341 1.655 20 5 CDBDRO O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000905384256 626779991 /nfs/dbraw/zinc/77/99/91/626779991.db2.gz VKOUUDNFWVWBKY-ZIAGYGMSSA-N 1 0 291.351 1.594 20 5 CDBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNCC[N+](=O)[O-] ZINC000905402483 626797331 /nfs/dbraw/zinc/79/73/31/626797331.db2.gz ZMMPMOKTWJXGNA-ZFWWWQNUSA-N 1 0 277.368 1.621 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1C=CCC1 ZINC000905418684 626805948 /nfs/dbraw/zinc/80/59/48/626805948.db2.gz SBKCPSVQTJACFA-CHWSQXEVSA-N 1 0 292.335 1.890 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C/C=C/Cl)c1 ZINC000905708727 626935031 /nfs/dbraw/zinc/93/50/31/626935031.db2.gz SJKYZTCUZJJJDN-XGQHYKRYSA-N 1 0 256.689 1.970 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000908283266 628110935 /nfs/dbraw/zinc/11/09/35/628110935.db2.gz YFWIFZPPILGWJZ-JTQLQIEISA-N 1 0 293.323 1.884 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911755203 629473866 /nfs/dbraw/zinc/47/38/66/629473866.db2.gz PWSYHRHYJHXCBQ-IACUBPJLSA-N 1 0 289.335 1.567 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912909881 630277408 /nfs/dbraw/zinc/27/74/08/630277408.db2.gz JSDQSNBKTYAVSF-NSHDSACASA-N 1 0 290.323 1.097 20 5 CDBDRO [NH3+][C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000129341766 1158978148 /nfs/dbraw/zinc/97/81/48/1158978148.db2.gz DNPDISXQKNJNAZ-MRVPVSSYSA-N 1 0 256.693 1.792 20 5 CDBDRO CC[C@H]([NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C(N)=O ZINC001170294574 1162327834 /nfs/dbraw/zinc/32/78/34/1162327834.db2.gz BCONRWJGKJHJAH-SKDRFNHKSA-N 1 0 295.339 1.388 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CNC(=O)C2)c([N+](=O)[O-])c1 ZINC001170314477 1162334650 /nfs/dbraw/zinc/33/46/50/1162334650.db2.gz VYPFXEOQNIGWIL-GXSJLCMTSA-N 1 0 293.323 1.013 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC001170318294 1162336895 /nfs/dbraw/zinc/33/68/95/1162336895.db2.gz OFEGZXJDHMPDKK-MEBBXXQBSA-N 1 0 294.351 1.895 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCCN1c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001157742104 1162376262 /nfs/dbraw/zinc/37/62/62/1162376262.db2.gz CPTKHJSCWBNEMU-PSASIEDQSA-N 1 0 275.312 1.787 20 5 CDBDRO Cc1cnc(C[NH3+])n1-c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001158164203 1162747412 /nfs/dbraw/zinc/74/74/12/1162747412.db2.gz JFVVUMHWPMOHPX-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO CCOc1cc([N+](=O)[O-])ccc1N[C@H](C)[C@@H]1C[NH2+]CCO1 ZINC001170568754 1162947773 /nfs/dbraw/zinc/94/77/73/1162947773.db2.gz PBIVNVRYIIRDGF-YGRLFVJLSA-N 1 0 295.339 1.782 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1N[C@H]1CC[N@H+](C)C1 ZINC001167275081 1158554747 /nfs/dbraw/zinc/55/47/47/1158554747.db2.gz DJERYVKPABEXTK-QMMMGPOBSA-N 1 0 252.274 1.114 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2ccc(CO)cc2)C1 ZINC001168998070 1161997050 /nfs/dbraw/zinc/99/70/50/1161997050.db2.gz HXEFBGBTJOOVIA-LSDHHAIUSA-N 1 0 278.352 1.756 20 5 CDBDRO COc1nc(NCC23CC[NH+](CC2)CC3)ncc1[N+](=O)[O-] ZINC001158823687 1163613824 /nfs/dbraw/zinc/61/38/24/1163613824.db2.gz CVOXZUVMWCTEPR-UHFFFAOYSA-N 1 0 293.327 1.291 20 5 CDBDRO C[C@@H](NC(=O)[C@H]1C[C@]12CC[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001574098616 1170877846 /nfs/dbraw/zinc/87/78/46/1170877846.db2.gz GHCBRZSUERTSHG-HCKVZZMMSA-N 1 0 289.335 1.772 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001576612730 1171468753 /nfs/dbraw/zinc/46/87/53/1171468753.db2.gz VCJSBNNDFOEMSP-PSASIEDQSA-N 1 0 288.307 1.638 20 5 CDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC1([NH3+])CC1 ZINC001578478484 1171930112 /nfs/dbraw/zinc/93/01/12/1171930112.db2.gz JJXBLVZFKKCAKM-UHFFFAOYSA-N 1 0 292.339 1.270 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC001578874397 1172032842 /nfs/dbraw/zinc/03/28/42/1172032842.db2.gz OSGIEMYPMHNBEW-CABZTGNLSA-N 1 0 293.323 1.303 20 5 CDBDRO CSc1cccc(C(=O)NC[C@H]2CC[NH2+]2)c1[N+](=O)[O-] ZINC001579393518 1172165473 /nfs/dbraw/zinc/16/54/73/1172165473.db2.gz YAWQUHZNVLHMRK-MRVPVSSYSA-N 1 0 281.337 1.408 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1COCCN1 ZINC001579734885 1172249976 /nfs/dbraw/zinc/24/99/76/1172249976.db2.gz RHCKJOVJUPMJNT-GFCCVEGCSA-N 1 0 279.340 1.290 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001579734728 1172250054 /nfs/dbraw/zinc/25/00/54/1172250054.db2.gz XVHZKAUKXCLWSE-CDMKHQONSA-N 1 0 290.323 1.918 20 5 CDBDRO [NH3+][C@H](C(=O)Nc1cc([N+](=O)[O-])n[nH]1)C1CCCCC1 ZINC001580115470 1172350860 /nfs/dbraw/zinc/35/08/60/1172350860.db2.gz XHLUUJUWLVHLOA-JTQLQIEISA-N 1 0 267.289 1.164 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001580264185 1172389648 /nfs/dbraw/zinc/38/96/48/1172389648.db2.gz HKIOAGRUROXAGM-JTQLQIEISA-N 1 0 297.742 1.598 20 5 CDBDRO [NH3+]C[C@@]1(c2ccccc2)C[C@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC001580334692 1172407605 /nfs/dbraw/zinc/40/76/05/1172407605.db2.gz HZDNSUWPSOHNGT-JNSHFYNHSA-N 1 0 299.334 1.856 20 5 CDBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C[NH3+])c1 ZINC001580342872 1172409433 /nfs/dbraw/zinc/40/94/33/1172409433.db2.gz MCNXRKDLNMBMJT-UHFFFAOYSA-N 1 0 286.291 1.888 20 5 CDBDRO [NH3+][C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC001580423335 1172429479 /nfs/dbraw/zinc/42/94/79/1172429479.db2.gz XHEFBWJMUVZYLA-WAAGHKOSSA-N 1 0 290.323 1.389 20 5 CDBDRO CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000165832359 1181040065 /nfs/dbraw/zinc/04/00/65/1181040065.db2.gz MYACNBOZESXJLX-UHFFFAOYSA-N 1 0 295.314 1.948 20 5 CDBDRO CCCN(CC(N)=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000311748710 828461194 /nfs/dbraw/zinc/46/11/94/828461194.db2.gz CGMGHNXBHDVOAN-UHFFFAOYSA-N 1 0 285.731 1.946 20 5 CDBDRO COC(=O)[C@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819369857 822686761 /nfs/dbraw/zinc/68/67/61/822686761.db2.gz OVIVSMYWJRUVQT-LOWVWBTDSA-N 1 0 294.307 1.169 20 5 CDBDRO C[NH+](C)C[C@]1(O)CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000713690019 822772675 /nfs/dbraw/zinc/77/26/75/822772675.db2.gz QOEKYAALZUADDK-CYBMUJFWSA-N 1 0 299.758 1.751 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000124580953 828554957 /nfs/dbraw/zinc/55/49/57/828554957.db2.gz DKKVFALXDQDWFK-UHFFFAOYSA-N 1 0 269.276 1.415 20 5 CDBDRO CC(C)(CCC(=O)N1CCC([NH2+]C2CCC2)CC1)[N+](=O)[O-] ZINC000889824880 823843110 /nfs/dbraw/zinc/84/31/10/823843110.db2.gz UUZLERLLJGXRNP-UHFFFAOYSA-N 1 0 297.399 1.955 20 5 CDBDRO COc1cc(C(=O)N(C)C[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000311960267 828586278 /nfs/dbraw/zinc/58/62/78/828586278.db2.gz JDJXRCILIHYKOI-MRVPVSSYSA-N 1 0 267.285 1.023 20 5 CDBDRO C[C@]1(C[NH3+])CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923357097 823927035 /nfs/dbraw/zinc/92/70/35/823927035.db2.gz WBBLLIAAKNHJSL-UONOGXRCSA-N 1 0 279.340 1.299 20 5 CDBDRO CC(C)[C@](C)(C[NH3+])NCc1cccnc1[N+](=O)[O-] ZINC000886830329 823933430 /nfs/dbraw/zinc/93/34/30/823933430.db2.gz PFIGWVLWZODGRB-LBPRGKRZSA-N 1 0 252.318 1.453 20 5 CDBDRO C[C@@H](O)CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000227710830 824086481 /nfs/dbraw/zinc/08/64/81/824086481.db2.gz KLYRQNLSYSFKDC-ZWNOBZJWSA-N 1 0 268.313 1.379 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1C ZINC000884418539 824162280 /nfs/dbraw/zinc/16/22/80/824162280.db2.gz MNHQKQOCFNAXMN-GHMZBOCLSA-N 1 0 295.314 1.723 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000129644390 824167165 /nfs/dbraw/zinc/16/71/65/824167165.db2.gz CAUMZUXRSDRBAM-QMMMGPOBSA-N 1 0 285.731 1.928 20 5 CDBDRO CC1([NH3+])CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000704531352 824185478 /nfs/dbraw/zinc/18/54/78/824185478.db2.gz WITBSXFWRRLOLT-UHFFFAOYSA-N 1 0 281.287 1.687 20 5 CDBDRO CC(C)OC(=O)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818943561 824245034 /nfs/dbraw/zinc/24/50/34/824245034.db2.gz VNAHZHGSQNBMAM-ZDUSSCGKSA-N 1 0 296.323 1.560 20 5 CDBDRO C[NH2+]C[C@@H](C)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000843191908 824338041 /nfs/dbraw/zinc/33/80/41/824338041.db2.gz NSZWMJNSCLBZKN-MRVPVSSYSA-N 1 0 277.284 1.287 20 5 CDBDRO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1 ZINC000776578472 828639271 /nfs/dbraw/zinc/63/92/71/828639271.db2.gz GADQIFWJBONPIH-IUODEOHRSA-N 1 0 294.351 1.987 20 5 CDBDRO Cc1noc(CN2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000931718443 824382340 /nfs/dbraw/zinc/38/23/40/824382340.db2.gz RHCWPHWCIZDZNE-WDEREUQCSA-N 1 0 280.328 1.560 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]([NH3+])CC1CC1 ZINC000311751524 824434482 /nfs/dbraw/zinc/43/44/82/824434482.db2.gz ZEWKKCRUQOAPMS-LLVKDONJSA-N 1 0 263.297 1.969 20 5 CDBDRO CC(C)(CCc1noc(CCC2CC[NH2+]CC2)n1)[N+](=O)[O-] ZINC000843232963 824563680 /nfs/dbraw/zinc/56/36/80/824563680.db2.gz DVEGZNMFRQINRI-UHFFFAOYSA-N 1 0 296.371 1.990 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC[C@H]2CCO)c1 ZINC000250065036 824638607 /nfs/dbraw/zinc/63/86/07/824638607.db2.gz WSJQFUPXSPNJIQ-DZGCQCFKSA-N 1 0 294.351 1.865 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701068357 824810461 /nfs/dbraw/zinc/81/04/61/824810461.db2.gz SNBGTURTKHFLTA-UHFFFAOYSA-N 1 0 271.704 1.715 20 5 CDBDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000819202168 824840700 /nfs/dbraw/zinc/84/07/00/824840700.db2.gz FUKRONSFCPDEFE-QKCSRTOESA-N 1 0 280.324 1.785 20 5 CDBDRO Cc1cccc(NCC[N@@H+](C)CCOCCO)c1[N+](=O)[O-] ZINC000882950831 824904861 /nfs/dbraw/zinc/90/48/61/824904861.db2.gz CAZMHWBESFSEFM-UHFFFAOYSA-N 1 0 297.355 1.256 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CC[C@H]2C3)c(F)c1 ZINC000858557354 828718177 /nfs/dbraw/zinc/71/81/77/828718177.db2.gz MNUQVKZDCIPCIS-JTQLQIEISA-N 1 0 251.261 1.628 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3nc4ccccn4c3[N+](=O)[O-])C[C@H]21 ZINC000858563007 824945480 /nfs/dbraw/zinc/94/54/80/824945480.db2.gz SPHOKGXGEOVHMO-IAZYJMLFSA-N 1 0 287.323 1.239 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877171249 824996187 /nfs/dbraw/zinc/99/61/87/824996187.db2.gz CGCFZXIFTVCUGP-TXEJJXNPSA-N 1 0 289.335 1.788 20 5 CDBDRO [NH3+]C[C@@]12CC[C@@H]1CCN2c1ncc([N+](=O)[O-])cc1F ZINC000900453367 825014498 /nfs/dbraw/zinc/01/44/98/825014498.db2.gz YZYCTXPPGOLPJF-PELKAZGASA-N 1 0 266.276 1.447 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)s1 ZINC000785798956 825024333 /nfs/dbraw/zinc/02/43/33/825024333.db2.gz ZPPKDRIHPJBBFK-VHSXEESVSA-N 1 0 283.353 1.931 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000874122423 825029805 /nfs/dbraw/zinc/02/98/05/825029805.db2.gz ACDREVPCMDANRA-GFCCVEGCSA-N 1 0 291.351 1.893 20 5 CDBDRO [NH3+][C@H]1Cc2ccccc2N(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886839985 825063836 /nfs/dbraw/zinc/06/38/36/825063836.db2.gz QCJWZDNRFXKKBD-ZDUSSCGKSA-N 1 0 284.319 1.880 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(Cc3cccnc3[N+](=O)[O-])CC[C@H]21 ZINC000886310507 825079079 /nfs/dbraw/zinc/07/90/79/825079079.db2.gz MQHPBXBKBXQFLV-DGCLKSJQSA-N 1 0 276.340 1.516 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](O)C(F)(F)F)cc1 ZINC000231202343 825101281 /nfs/dbraw/zinc/10/12/81/825101281.db2.gz GRYGUICLKPWKHW-NXEZZACHSA-N 1 0 294.229 1.141 20 5 CDBDRO CC[NH+](CC)[C@@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173468073 825116827 /nfs/dbraw/zinc/11/68/27/825116827.db2.gz MNBPPFVLZZRZLX-LLVKDONJSA-N 1 0 267.333 1.165 20 5 CDBDRO C[NH2+]CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841011531 828744376 /nfs/dbraw/zinc/74/43/76/828744376.db2.gz QQYYPERMQCRJHQ-UHFFFAOYSA-N 1 0 272.692 1.589 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872126266 825203936 /nfs/dbraw/zinc/20/39/36/825203936.db2.gz KDTWCVUNOWAKKE-GIPNMCIBSA-N 1 0 262.309 1.943 20 5 CDBDRO C[NH2+]C[C@@H](C)c1noc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000721131505 825212075 /nfs/dbraw/zinc/21/20/75/825212075.db2.gz RNTCOZJCFGVCIY-MRVPVSSYSA-N 1 0 262.269 1.968 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=[NH2+])NC1CCC1 ZINC000848995967 825230872 /nfs/dbraw/zinc/23/08/72/825230872.db2.gz SKEAKJLMIPCUJP-UHFFFAOYSA-N 1 0 278.312 1.770 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000882478684 825296057 /nfs/dbraw/zinc/29/60/57/825296057.db2.gz BLAGIVNHSDZCKV-NSHDSACASA-N 1 0 293.323 1.184 20 5 CDBDRO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866217333 825356207 /nfs/dbraw/zinc/35/62/07/825356207.db2.gz XLKHAAJROBJRTD-VHSXEESVSA-N 1 0 297.330 1.779 20 5 CDBDRO C[NH+](C)CCCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC000789946303 825548908 /nfs/dbraw/zinc/54/89/08/825548908.db2.gz VWKBASIQCVXZQD-UHFFFAOYSA-N 1 0 252.270 1.703 20 5 CDBDRO C[C@H](CCO)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000844449987 825803400 /nfs/dbraw/zinc/80/34/00/825803400.db2.gz NMPXGQWPZPISPA-SECBINFHSA-N 1 0 256.277 1.937 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818017394 825840632 /nfs/dbraw/zinc/84/06/32/825840632.db2.gz FMPRUOKJLALFII-GFCCVEGCSA-N 1 0 281.337 1.624 20 5 CDBDRO CSC[C@H]1CCCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000793797768 825967545 /nfs/dbraw/zinc/96/75/45/825967545.db2.gz RSOKWSVJUCJWTF-JTQLQIEISA-N 1 0 270.358 1.824 20 5 CDBDRO CC1([NH3+])CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000834593585 826055124 /nfs/dbraw/zinc/05/51/24/826055124.db2.gz LTRPECCTUUCRRA-UHFFFAOYSA-N 1 0 278.312 1.130 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@H](C)C[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000843509523 826079855 /nfs/dbraw/zinc/07/98/55/826079855.db2.gz ZEFMYYCPEVLNJQ-DTWKUNHWSA-N 1 0 283.303 1.898 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000715568952 826109015 /nfs/dbraw/zinc/10/90/15/826109015.db2.gz DFSOTUCFQLNXMV-VHSXEESVSA-N 1 0 279.344 1.857 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000194876851 826118198 /nfs/dbraw/zinc/11/81/98/826118198.db2.gz MXCLYQNALWPMFO-LURJTMIESA-N 1 0 257.677 1.325 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834914963 826187782 /nfs/dbraw/zinc/18/77/82/826187782.db2.gz OLTDJHKSFLQFSS-XTWCZFFVSA-N 1 0 265.313 1.741 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135429574 826227754 /nfs/dbraw/zinc/22/77/54/826227754.db2.gz BBEZCVXFEKFTBF-JQWIXIFHSA-N 1 0 277.324 1.333 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)OCCC[NH+]1CCCCC1 ZINC000800124484 826252796 /nfs/dbraw/zinc/25/27/96/826252796.db2.gz ZZMFXRGCHBANMU-UHFFFAOYSA-N 1 0 295.339 1.966 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000843454967 826332057 /nfs/dbraw/zinc/33/20/57/826332057.db2.gz DOYQRSSBPUNKLC-VIFPVBQESA-N 1 0 280.328 1.128 20 5 CDBDRO Cc1c(NC(=O)N(C)C[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000859618622 826398987 /nfs/dbraw/zinc/39/89/87/826398987.db2.gz YKXYTCSTVQOFDC-QMMMGPOBSA-N 1 0 266.301 1.714 20 5 CDBDRO CO[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000831535740 826403022 /nfs/dbraw/zinc/40/30/22/826403022.db2.gz ZJECXRDCRVGVDN-BYCMXARLSA-N 1 0 294.351 1.985 20 5 CDBDRO C[NH2+]CCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000843356719 826522413 /nfs/dbraw/zinc/52/24/13/826522413.db2.gz WTUJKAYQIRFBFS-UHFFFAOYSA-N 1 0 278.356 1.326 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N[C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC001155403194 1167159286 /nfs/dbraw/zinc/15/92/86/1167159286.db2.gz KKWJIUKFBUHEGD-JOYOIKCWSA-N 1 0 298.730 1.578 20 5 CDBDRO C[NH2+]C[C@H](C)CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000420217341 826812192 /nfs/dbraw/zinc/81/21/92/826812192.db2.gz XNRXMRPWGABKLT-JTQLQIEISA-N 1 0 274.324 1.832 20 5 CDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000843331452 826826547 /nfs/dbraw/zinc/82/65/47/826826547.db2.gz SCJPIWGFMZZPBY-ZETCQYMHSA-N 1 0 296.283 1.279 20 5 CDBDRO Nc1ccc(-c2noc(CC3([NH3+])CCC3)n2)cc1[N+](=O)[O-] ZINC000843169755 826852806 /nfs/dbraw/zinc/85/28/06/826852806.db2.gz OVDOPICFGBPOBY-UHFFFAOYSA-N 1 0 289.295 1.651 20 5 CDBDRO C[C@@H](CO)C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886267319 826867537 /nfs/dbraw/zinc/86/75/37/826867537.db2.gz KOMMODGVBWKHOG-NSHDSACASA-N 1 0 279.340 1.830 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702061290 827038162 /nfs/dbraw/zinc/03/81/62/827038162.db2.gz ANWKUBKILAPUSE-SECBINFHSA-N 1 0 297.742 1.978 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932177513 827091819 /nfs/dbraw/zinc/09/18/19/827091819.db2.gz AMUJOUQYWMTUPP-IUODEOHRSA-N 1 0 295.383 1.947 20 5 CDBDRO CS[C@H]1CCN(Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000840115815 827287863 /nfs/dbraw/zinc/28/78/63/827287863.db2.gz OCAGLGXMVURDCW-JTQLQIEISA-N 1 0 270.358 1.803 20 5 CDBDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000791054213 827337196 /nfs/dbraw/zinc/33/71/96/827337196.db2.gz YSLYYYOWNITHDJ-NWDGAFQWSA-N 1 0 271.361 1.280 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC12CCC2 ZINC000872249763 827370521 /nfs/dbraw/zinc/37/05/21/827370521.db2.gz CHVBXKGIGOTCAY-BXUZGUMPSA-N 1 0 292.335 1.867 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000829539490 827594014 /nfs/dbraw/zinc/59/40/14/827594014.db2.gz ZRXWUCFARRHMEV-LBPRGKRZSA-N 1 0 285.388 1.811 20 5 CDBDRO Cc1c(CNC[C@@]2(O)CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000702587216 827647992 /nfs/dbraw/zinc/64/79/92/827647992.db2.gz MEHFAEIOYPCWNG-AWEZNQCLSA-N 1 0 279.340 1.059 20 5 CDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000216288336 827728788 /nfs/dbraw/zinc/72/87/88/827728788.db2.gz UNSTXSXXJOGBJT-PELKAZGASA-N 1 0 279.271 1.168 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000091428064 827814114 /nfs/dbraw/zinc/81/41/14/827814114.db2.gz VQMWXMIJMINJAS-LLVKDONJSA-N 1 0 292.339 1.343 20 5 CDBDRO CC(=O)OC1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000878295804 827852705 /nfs/dbraw/zinc/85/27/05/827852705.db2.gz WKIWOWLGCNKGEE-UHFFFAOYSA-N 1 0 296.327 1.127 20 5 CDBDRO CON(C)C(=O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000830173212 827872879 /nfs/dbraw/zinc/87/28/79/827872879.db2.gz ULLNQEODIJRTLG-JTQLQIEISA-N 1 0 281.312 1.655 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc(C3CC[NH2+]CC3)n2)o1 ZINC000843238538 827888984 /nfs/dbraw/zinc/88/89/84/827888984.db2.gz UGUQJVLQWGIKIH-UHFFFAOYSA-N 1 0 264.241 1.705 20 5 CDBDRO CN1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000877018954 827889298 /nfs/dbraw/zinc/88/92/98/827889298.db2.gz CUPOSUHLEBBDNS-VIFPVBQESA-N 1 0 276.296 1.530 20 5 CDBDRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000724883871 827946717 /nfs/dbraw/zinc/94/67/17/827946717.db2.gz TXCAVTVTNWWSLI-DGCLKSJQSA-N 1 0 266.297 1.488 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000825201036 828088033 /nfs/dbraw/zinc/08/80/33/828088033.db2.gz IJUORYIVFVVHRX-IUCAKERBSA-N 1 0 278.312 1.034 20 5 CDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000843454227 828097598 /nfs/dbraw/zinc/09/75/98/828097598.db2.gz PQMLWLBCTKZRTA-NSHDSACASA-N 1 0 295.314 1.948 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC(CO)(CO)C1 ZINC001173215881 912298813 /nfs/dbraw/zinc/29/88/13/912298813.db2.gz FRYILFJRHGPZTK-LLVKDONJSA-N 1 0 294.351 1.249 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC(O)C1 ZINC001173209563 912329983 /nfs/dbraw/zinc/32/99/83/912329983.db2.gz DCGIYJBIAXAMHM-FJJSSXBZSA-N 1 0 250.298 1.639 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCOC1 ZINC001173211583 912335305 /nfs/dbraw/zinc/33/53/05/912335305.db2.gz SZOOLRQNBPJYOH-JQWIXIFHSA-N 1 0 250.298 1.904 20 5 CDBDRO C[N@@H+]1CCC[C@@H](Oc2ccnc([N+](=O)[O-])c2)CC1 ZINC001233857126 913088716 /nfs/dbraw/zinc/08/87/16/913088716.db2.gz JXSNKPSULGRXOF-SNVBAGLBSA-N 1 0 251.286 1.853 20 5 CDBDRO C[N@@H+]1CC[C@H](Nc2ccc3nc[nH]c3c2[N+](=O)[O-])C1 ZINC001167278426 895028232 /nfs/dbraw/zinc/02/82/32/895028232.db2.gz JYWIQDHJFQQNPY-QMMMGPOBSA-N 1 0 261.285 1.587 20 5 CDBDRO COc1ccc(CN2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000050249110 895579769 /nfs/dbraw/zinc/57/97/69/895579769.db2.gz MRJNKWMTDLQVRH-NSHDSACASA-N 1 0 265.313 1.384 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001167692620 898288435 /nfs/dbraw/zinc/28/84/35/898288435.db2.gz RPGVCNBJPMHSGS-UHFFFAOYSA-N 1 0 284.279 1.200 20 5 CDBDRO COc1cc(NCC[NH+]2CCSCC2)cnc1[N+](=O)[O-] ZINC001167837241 901267669 /nfs/dbraw/zinc/26/76/69/901267669.db2.gz NKRJKWGHKVMXSY-UHFFFAOYSA-N 1 0 298.368 1.459 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1N1CC2(C1)CCC[NH2+]C2 ZINC000709955979 902528342 /nfs/dbraw/zinc/52/83/42/902528342.db2.gz ZVLKIVIQLYHNBQ-UHFFFAOYSA-N 1 0 266.276 1.319 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1O[C@@H](C)C[N+](C)(C)C ZINC001226764903 905591796 /nfs/dbraw/zinc/59/17/96/905591796.db2.gz OINDCSWDKBCOEE-JTQLQIEISA-N 1 0 254.310 1.772 20 5 CDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]CCC2CC2)CC1 ZINC001205224660 919194603 /nfs/dbraw/zinc/19/46/03/919194603.db2.gz WDZBAFPGGADTRE-ZIAGYGMSSA-N 1 0 295.383 1.280 20 5 CDBDRO Cn1cc(N[C@H]2CCCC[C@@H]2[NH+](C)C)cc([N+](=O)[O-])c1=O ZINC001168601022 919390424 /nfs/dbraw/zinc/39/04/24/919390424.db2.gz GRGSCYRCAPOGNS-RYUDHWBXSA-N 1 0 294.355 1.578 20 5 CDBDRO [NH3+]Cc1cn(-c2ncc3cccc([N+](=O)[O-])c3n2)cn1 ZINC001162298835 922210322 /nfs/dbraw/zinc/21/03/22/922210322.db2.gz QSXLFLVUVYZXRE-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO COC(=O)N(C)CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000689525378 936761811 /nfs/dbraw/zinc/76/18/11/936761811.db2.gz LBCIGIMXJNNVEZ-UHFFFAOYSA-N 1 0 281.312 1.691 20 5 CDBDRO COC(=O)N(C)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000689525309 936762028 /nfs/dbraw/zinc/76/20/28/936762028.db2.gz KDGINXZIHYTXQZ-SNVBAGLBSA-N 1 0 281.312 1.944 20 5 CDBDRO Cc1nc(N2C[C@H](C)CC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC001164063368 924546169 /nfs/dbraw/zinc/54/61/69/924546169.db2.gz RZOWXQNFJFHHHB-MWLCHTKSSA-N 1 0 264.329 1.862 20 5 CDBDRO COc1cc(N(C)C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001156172848 927352844 /nfs/dbraw/zinc/35/28/44/927352844.db2.gz ZTHCFACTEBMORC-UHFFFAOYSA-N 1 0 266.301 1.187 20 5 CDBDRO Cc1ncc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001168976058 927560677 /nfs/dbraw/zinc/56/06/77/927560677.db2.gz YXEGRFUGLAJPCW-PWSUYJOCSA-N 1 0 250.302 1.320 20 5 CDBDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168980670 927568054 /nfs/dbraw/zinc/56/80/54/927568054.db2.gz FKPXJCDERAWBSN-USZNOCQGSA-N 1 0 270.329 1.363 20 5 CDBDRO CC(C)(C)OC(=O)NCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168959164 927579552 /nfs/dbraw/zinc/57/95/52/927579552.db2.gz UHPFXZJBUYVNIL-QWRGUYRKSA-N 1 0 287.360 1.546 20 5 CDBDRO Cc1ncc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)s1 ZINC001168961903 927581605 /nfs/dbraw/zinc/58/16/05/927581605.db2.gz LDVPPRNXDUJSOC-UWVGGRQHSA-N 1 0 255.343 1.987 20 5 CDBDRO Cc1cnc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)nc1 ZINC001168963954 927587599 /nfs/dbraw/zinc/58/75/99/927587599.db2.gz QVTNTPJXQHCFFD-GHMZBOCLSA-N 1 0 250.302 1.320 20 5 CDBDRO O=C(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)NC1CCCC1 ZINC001168965647 927588967 /nfs/dbraw/zinc/58/89/67/927588967.db2.gz BOGGUUZLGCQWKL-PWSUYJOCSA-N 1 0 269.345 1.080 20 5 CDBDRO CC1(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)OCCO1 ZINC001168965955 927590064 /nfs/dbraw/zinc/59/00/64/927590064.db2.gz FDOVNSDQKWVTLQ-QWRGUYRKSA-N 1 0 258.318 1.175 20 5 CDBDRO N=c1cc(C[NH3+])ccn1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968892 927592178 /nfs/dbraw/zinc/59/21/78/927592178.db2.gz ASWCKWGVECCEDH-WDEREUQCSA-N 1 0 250.302 1.044 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc3ccccn3n2)C1 ZINC001169001648 927606239 /nfs/dbraw/zinc/60/62/39/927606239.db2.gz HDZUWJXBLDDONW-NEPJUHHUSA-N 1 0 274.324 1.869 20 5 CDBDRO C[C@@]1(O)CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169011301 927616574 /nfs/dbraw/zinc/61/65/74/927616574.db2.gz JOOZYANFTGECEY-WHOHXGKFSA-N 1 0 260.309 1.227 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CC[C@@H]3CCO[C@H]3C2)C1 ZINC001169013970 927619803 /nfs/dbraw/zinc/61/98/03/927619803.db2.gz XAXMGDFGWLFTKI-LOWDOPEQSA-N 1 0 254.330 1.543 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](CO)c2ccncc2)C1 ZINC001168986622 927622606 /nfs/dbraw/zinc/62/26/06/927622606.db2.gz XTYWCDLDGVQBRM-RTXFEEFZSA-N 1 0 265.313 1.150 20 5 CDBDRO COC(CCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)OC ZINC001168989426 927626570 /nfs/dbraw/zinc/62/65/70/927626570.db2.gz WLNINJQRVJOABY-WDEREUQCSA-N 1 0 260.334 1.421 20 5 CDBDRO Cc1cc(C[N@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)n(C)n1 ZINC001169027496 927632644 /nfs/dbraw/zinc/63/26/44/927632644.db2.gz QJACGIQJWIVYAD-NWDGAFQWSA-N 1 0 266.345 1.606 20 5 CDBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036515 927644722 /nfs/dbraw/zinc/64/47/22/927644722.db2.gz GHPIIHXTQFQFOX-TUAOUCFPSA-N 1 0 256.346 1.667 20 5 CDBDRO O=C1NC2(CO1)CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169040076 927652706 /nfs/dbraw/zinc/65/27/06/927652706.db2.gz XOAHOFPUNKBDSO-QWRGUYRKSA-N 1 0 283.328 1.006 20 5 CDBDRO C[NH2+]CCc1c(C)nn([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1C ZINC001169039879 927653936 /nfs/dbraw/zinc/65/39/36/927653936.db2.gz VGIPJBXUMQQDRB-OLZOCXBDSA-N 1 0 280.372 1.880 20 5 CDBDRO COC(=O)[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H]1C ZINC001169043782 927657063 /nfs/dbraw/zinc/65/70/63/927657063.db2.gz HRWAIPKSSFNWCW-FVCCEPFGSA-N 1 0 284.356 1.705 20 5 CDBDRO COCc1nn([C@H]2CC[C@H](C[N+](=O)[O-])C2)c2c1C[NH2+]C2 ZINC001169022757 927664249 /nfs/dbraw/zinc/66/42/49/927664249.db2.gz SMHIUNJJLIVLFV-UWVGGRQHSA-N 1 0 280.328 1.251 20 5 CDBDRO CCOC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169026109 927665503 /nfs/dbraw/zinc/66/55/03/927665503.db2.gz KTABUMNIYRVTTI-RYUDHWBXSA-N 1 0 256.346 1.933 20 5 CDBDRO CC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCOCC1 ZINC001169026946 927665959 /nfs/dbraw/zinc/66/59/59/927665959.db2.gz ONXLDMPITKSUJJ-AAEUAGOBSA-N 1 0 256.346 1.933 20 5 CDBDRO COc1cc(-n2ccc([C@@H](C)[NH3+])n2)cnc1[N+](=O)[O-] ZINC001169234511 927849615 /nfs/dbraw/zinc/84/96/15/927849615.db2.gz XSZZVGXCACWOLE-SSDOTTSWSA-N 1 0 263.257 1.204 20 5 CDBDRO CC(C)(C)c1cnc(-n2nncc2C[NH3+])c([N+](=O)[O-])c1 ZINC001169308478 927942973 /nfs/dbraw/zinc/94/29/73/927942973.db2.gz NQGYOPBSKMNLFB-UHFFFAOYSA-N 1 0 276.300 1.327 20 5 CDBDRO [NH3+]Cc1ccn(-c2ncnc(Cl)c2[N+](=O)[O-])c1 ZINC001169716892 928372729 /nfs/dbraw/zinc/37/27/29/928372729.db2.gz RPJXCSJCNRDCPN-UHFFFAOYSA-N 1 0 253.649 1.288 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NC2(C)CC[NH2+]CC2)n1 ZINC001157396857 929620490 /nfs/dbraw/zinc/62/04/90/929620490.db2.gz JWYBCAYHSJUOBQ-UHFFFAOYSA-N 1 0 285.735 1.901 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H]2C[NH2+]C[C@@H]2CO)c2ccccc21 ZINC001170784795 930008653 /nfs/dbraw/zinc/00/86/53/930008653.db2.gz VDQNGLMYINGDCJ-YGRLFVJLSA-N 1 0 287.319 1.740 20 5 CDBDRO Cc1c(F)cc([N+](=O)[O-])cc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001170786875 930022386 /nfs/dbraw/zinc/02/23/86/930022386.db2.gz BFGJMYSPXVVLAX-PELKAZGASA-N 1 0 269.276 1.035 20 5 CDBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886841624 930972219 /nfs/dbraw/zinc/97/22/19/930972219.db2.gz QWPICVCODWZTPW-ZJUUUORDSA-N 1 0 250.302 1.205 20 5 CDBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC001154079732 937501142 /nfs/dbraw/zinc/50/11/42/937501142.db2.gz MWWIONGBMZEFQY-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC001117953965 937572774 /nfs/dbraw/zinc/57/27/74/937572774.db2.gz VMKSVCWBKHSELI-VIFPVBQESA-N 1 0 296.327 1.723 20 5 CDBDRO C[NH2+][C@H](C)CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC001118122174 937593759 /nfs/dbraw/zinc/59/37/59/937593759.db2.gz QNALOOSHLXFLOE-NXEZZACHSA-N 1 0 266.345 1.826 20 5 CDBDRO [NH3+]Cc1cn(-c2cnc3cc([N+](=O)[O-])ccc3n2)cn1 ZINC001154907044 937602909 /nfs/dbraw/zinc/60/29/09/937602909.db2.gz SUKIRDSXBMNZIH-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO COC1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000234721027 932577805 /nfs/dbraw/zinc/57/78/05/932577805.db2.gz OJAPFXBKXHTULO-ZDUSSCGKSA-N 1 0 280.324 1.787 20 5 CDBDRO O=[N+]([O-])c1cnc2ccc(NC[C@H]3CCCC[NH2+]3)cn21 ZINC001171335062 932749889 /nfs/dbraw/zinc/74/98/89/932749889.db2.gz RZRUQVKODLMWHL-SNVBAGLBSA-N 1 0 275.312 1.797 20 5 CDBDRO COc1cc(C)nc(N[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001155663172 937661645 /nfs/dbraw/zinc/66/16/45/937661645.db2.gz YLOSWHKAYHSODD-NSHDSACASA-N 1 0 292.339 1.813 20 5 CDBDRO C[C@H]1CN(CC[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000930720862 933435241 /nfs/dbraw/zinc/43/52/41/933435241.db2.gz UZPZEMFUNHQRCP-ZDUSSCGKSA-N 1 0 263.341 1.469 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1ncc([N+](=O)[O-])c2ccccc21 ZINC001156850811 938425876 /nfs/dbraw/zinc/42/58/76/938425876.db2.gz STLPRDVCNZOMTK-UHFFFAOYSA-N 1 0 295.302 1.872 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3N)C[C@H]21 ZINC001157272553 938473820 /nfs/dbraw/zinc/47/38/20/938473820.db2.gz OHBYWCWWRKCWSM-JOYOIKCWSA-N 1 0 277.328 1.102 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(-n2ccc3c2CC[NH2+]C3)c1 ZINC001157448962 938493475 /nfs/dbraw/zinc/49/34/75/938493475.db2.gz AGXDOIBUXOXRMW-UHFFFAOYSA-N 1 0 294.698 1.318 20 5 CDBDRO C[C@]1(C[NH3+])CCCN(c2ccc([N+](=O)[O-])c(N)n2)C1 ZINC001158679261 938649986 /nfs/dbraw/zinc/64/99/86/938649986.db2.gz SQLRFELLLSKIRH-GFCCVEGCSA-N 1 0 265.317 1.137 20 5 CDBDRO Cc1cc(Cl)nc(NC[C@H]2COCC[NH2+]2)c1[N+](=O)[O-] ZINC001159042805 938695997 /nfs/dbraw/zinc/69/59/97/938695997.db2.gz LCFGJPVNKJYOCW-QMMMGPOBSA-N 1 0 286.719 1.352 20 5 CDBDRO Cc1nc(Nc2ccc(C[NH3+])nc2)ncc1[N+](=O)[O-] ZINC001160405717 938785230 /nfs/dbraw/zinc/78/52/30/938785230.db2.gz LJLVXPUYYJCDBZ-UHFFFAOYSA-N 1 0 260.257 1.291 20 5 CDBDRO O=[N+]([O-])c1ccnc(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)c1 ZINC001160737846 938822609 /nfs/dbraw/zinc/82/26/09/938822609.db2.gz RJCOSWBUNPIIRE-BDAKNGLRSA-N 1 0 290.245 1.942 20 5 CDBDRO Nc1cc(-n2c(C[NH3+])cc3ccncc32)ncc1[N+](=O)[O-] ZINC001160960208 938850889 /nfs/dbraw/zinc/85/08/89/938850889.db2.gz TYOUDUNTDAOETP-UHFFFAOYSA-N 1 0 284.279 1.370 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(NCC[C@H]2CCC[N@@H+]2C)n1 ZINC001160963874 938851329 /nfs/dbraw/zinc/85/13/29/938851329.db2.gz JHCZSCUCCYRYGZ-SNVBAGLBSA-N 1 0 295.343 1.598 20 5 CDBDRO COc1nc(NCC[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC001160966470 938852185 /nfs/dbraw/zinc/85/21/85/938852185.db2.gz KCSOYXAKBGSSST-SNVBAGLBSA-N 1 0 280.328 1.895 20 5 CDBDRO N=c1ncc(C[NH3+])cn1-c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001161414827 938901489 /nfs/dbraw/zinc/90/14/89/938901489.db2.gz HELXGKGJSAQWGU-UHFFFAOYSA-N 1 0 296.290 1.267 20 5 CDBDRO Cc1cnc(NC[C@H]2C[NH2+]CC(C)(C)O2)c([N+](=O)[O-])c1 ZINC001161951115 938947714 /nfs/dbraw/zinc/94/77/14/938947714.db2.gz YOHVGAHLLJYZKT-SNVBAGLBSA-N 1 0 280.328 1.477 20 5 CDBDRO COc1nc(NC[C@H]2C[NH2+]CC(C)(C)O2)ccc1[N+](=O)[O-] ZINC001161954039 938948084 /nfs/dbraw/zinc/94/80/84/938948084.db2.gz JZPBAUGIGPBZFW-SECBINFHSA-N 1 0 296.327 1.177 20 5 CDBDRO [NH3+]Cc1cn(-c2ncc(F)c3cc([N+](=O)[O-])ccc32)cn1 ZINC001162298725 938973770 /nfs/dbraw/zinc/97/37/70/938973770.db2.gz NZDBADGFWYBMIR-UHFFFAOYSA-N 1 0 287.254 1.927 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N[C@]2(C)CCC[N@@H+](C)C2)n1 ZINC001162341663 939030884 /nfs/dbraw/zinc/03/08/84/939030884.db2.gz OAWGVZSPCKPUDN-GFCCVEGCSA-N 1 0 265.317 1.589 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1ncc2cccc([N+](=O)[O-])c2n1 ZINC001162673782 939112376 /nfs/dbraw/zinc/11/23/76/939112376.db2.gz YBKKSRNGHJARPU-PSASIEDQSA-N 1 0 273.296 1.700 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)c(F)c1 ZINC001162794608 939142153 /nfs/dbraw/zinc/14/21/53/939142153.db2.gz QLRSPPOYJYGDKS-JVUFJMBOSA-N 1 0 264.260 1.315 20 5 CDBDRO [NH3+][C@H]1COC[C@H]1Nc1cc2cccnc2c([N+](=O)[O-])c1 ZINC001162925107 939162141 /nfs/dbraw/zinc/16/21/41/939162141.db2.gz MZEXXNCGLAIMSY-WDEREUQCSA-N 1 0 274.280 1.281 20 5 CDBDRO CC(=O)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001163067426 939188790 /nfs/dbraw/zinc/18/87/90/939188790.db2.gz TYRUNNDIBDVTQQ-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO O=[N+]([O-])c1cc(NCC[C@@H]2CCOC23C[NH2+]C3)cnc1F ZINC001163095373 939199221 /nfs/dbraw/zinc/19/92/21/939199221.db2.gz QJVCCDFMDNLJJI-SECBINFHSA-N 1 0 296.302 1.309 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)nc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163141790 939212165 /nfs/dbraw/zinc/21/21/65/939212165.db2.gz XPPDEHLZEHFKSL-BWZBUEFSSA-N 1 0 284.703 1.042 20 5 CDBDRO O=[N+]([O-])c1ccnc(Cl)c1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163192802 939222681 /nfs/dbraw/zinc/22/26/81/939222681.db2.gz DMLUCUBJCFQOBO-RDDDGLTNSA-N 1 0 284.703 1.186 20 5 CDBDRO [NH3+]C1(CNc2ncnc3cc([N+](=O)[O-])ccc32)CCC1 ZINC001163321314 939246418 /nfs/dbraw/zinc/24/64/18/939246418.db2.gz OTYMBHKULDLVIA-UHFFFAOYSA-N 1 0 273.296 1.831 20 5 CDBDRO Cc1c(F)cc([N+](=O)[O-])cc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001163348067 939252801 /nfs/dbraw/zinc/25/28/01/939252801.db2.gz RTEOYYSELIZOQO-WXHSDQCUSA-N 1 0 281.287 1.584 20 5 CDBDRO CN(CC[NH3+])c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001163690747 939308863 /nfs/dbraw/zinc/30/88/63/939308863.db2.gz VAZZUGFFPLITLV-UHFFFAOYSA-N 1 0 281.703 1.586 20 5 CDBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1N[C@@H](C)C[NH+](C)C ZINC001163777149 939329094 /nfs/dbraw/zinc/32/90/94/939329094.db2.gz SEXAXEIWQLMXAY-QMMMGPOBSA-N 1 0 296.327 1.447 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001163782768 939330609 /nfs/dbraw/zinc/33/06/09/939330609.db2.gz QNWOSDZFYBRXKQ-MRVPVSSYSA-N 1 0 263.301 1.833 20 5 CDBDRO Cc1cc(C[NH3+])nn1-c1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001163977774 939367565 /nfs/dbraw/zinc/36/75/65/939367565.db2.gz ILSOSEZSAKMCFW-UHFFFAOYSA-N 1 0 272.268 1.424 20 5 CDBDRO C[C@H]1CC[C@@H](C[NH3+])N(c2ccc([N+](=O)[O-])c(N)n2)C1 ZINC001164075934 939407104 /nfs/dbraw/zinc/40/71/04/939407104.db2.gz ZBNIKOCXBFQISM-IUCAKERBSA-N 1 0 265.317 1.136 20 5 CDBDRO CC(C)[N@@H+]1CCN(c2cc([N+](=O)[O-])ccn2)C[C@H]1C ZINC001165198976 939522701 /nfs/dbraw/zinc/52/27/01/939522701.db2.gz LMVBQAJICCILNL-LLVKDONJSA-N 1 0 264.329 1.909 20 5 CDBDRO [NH3+]C1([C@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@@H]2CF)CC1 ZINC001165432107 939564409 /nfs/dbraw/zinc/56/44/09/939564409.db2.gz SYLKACNCODROIA-WPRPVWTQSA-N 1 0 298.293 1.642 20 5 CDBDRO Nc1cc(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)ncc1[N+](=O)[O-] ZINC001165434289 939564840 /nfs/dbraw/zinc/56/48/40/939564840.db2.gz RFEANCKZUBPXIA-DTWKUNHWSA-N 1 0 295.318 1.085 20 5 CDBDRO Cc1c([N+](=O)[O-])cc(F)cc1-n1ccnc1CC[NH3+] ZINC001166350838 939605010 /nfs/dbraw/zinc/60/50/10/939605010.db2.gz DVKLLWVOEJKQJY-UHFFFAOYSA-N 1 0 264.260 1.729 20 5 CDBDRO COC(=O)C1(Nc2cc(C)c([N+](=O)[O-])cn2)CC[NH2+]CC1 ZINC001166946838 939656272 /nfs/dbraw/zinc/65/62/72/939656272.db2.gz ARWNIRIGDDGEBL-UHFFFAOYSA-N 1 0 294.311 1.005 20 5 CDBDRO COC(=O)C1(Nc2nc(C)ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001166946901 939656331 /nfs/dbraw/zinc/65/63/31/939656331.db2.gz DUVBYAWVAHIXSA-UHFFFAOYSA-N 1 0 294.311 1.005 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N(C)C[C@@H]2CC[NH2+]C2)n1 ZINC001166955712 939659332 /nfs/dbraw/zinc/65/93/32/939659332.db2.gz FCFGZMHYZOZGNI-SECBINFHSA-N 1 0 284.747 1.997 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCC(=O)c1ccccc1 ZINC001205357720 939885038 /nfs/dbraw/zinc/88/50/38/939885038.db2.gz KJDIPOYCFUDOLQ-CQSZACIVSA-N 1 0 294.371 1.260 20 5 CDBDRO CCc1nnc(C[C@H]([NH3+])Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001217716472 941009544 /nfs/dbraw/zinc/00/95/44/941009544.db2.gz JCCRFBUWSDUGQU-SNVBAGLBSA-N 1 0 276.296 1.653 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2O[C@H]1CCC[NH2+]C1 ZINC001218283085 941051214 /nfs/dbraw/zinc/05/12/14/941051214.db2.gz DXYYACZUGUFBJJ-JTQLQIEISA-N 1 0 274.280 1.669 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(O[C@@H]3CCC[NH2+]C3)c21 ZINC001218285585 941052126 /nfs/dbraw/zinc/05/21/26/941052126.db2.gz LSUNBTNDLUGKHO-SECBINFHSA-N 1 0 274.280 1.669 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCc1nc2ncccc2o1 ZINC001222933346 941642027 /nfs/dbraw/zinc/64/20/27/941642027.db2.gz BSYIKUHPQXQFNX-SNVBAGLBSA-N 1 0 250.322 1.834 20 5 CDBDRO COC(=O)c1ccc(CO[C@H](C)C[N+](C)(C)C)cn1 ZINC001223533086 941684829 /nfs/dbraw/zinc/68/48/29/941684829.db2.gz LYOXBGIXXSWNJJ-LLVKDONJSA-N 1 0 267.349 1.480 20 5 CDBDRO COC(=O)[C@H](O[C@@H](C)C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001223641745 941689037 /nfs/dbraw/zinc/68/90/37/941689037.db2.gz COPNYEOKJOQYJI-GXFFZTMASA-N 1 0 296.323 1.776 20 5 CDBDRO C[C@H](OC(=O)C[C@@H](O)C[N+](C)(C)C)c1nccs1 ZINC001224004249 941714601 /nfs/dbraw/zinc/71/46/01/941714601.db2.gz RNGSHTIWKPGULX-VHSXEESVSA-N 1 0 273.378 1.205 20 5 CDBDRO C[N@@H+]1CC[C@@H](OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001224094860 941719682 /nfs/dbraw/zinc/71/96/82/941719682.db2.gz GKNISBGKICVEEY-LLVKDONJSA-N 1 0 281.268 1.724 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCC(=O)Nc1ccccc1 ZINC001224462126 941757655 /nfs/dbraw/zinc/75/76/55/941757655.db2.gz YWEKQTOIBPEUHW-GFCCVEGCSA-O 1 0 251.350 1.736 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cccnc1CN(C)C ZINC001225279380 941837186 /nfs/dbraw/zinc/83/71/86/941837186.db2.gz WUHLOLHGFVPYRJ-GFCCVEGCSA-N 1 0 252.382 1.617 20 5 CDBDRO CNC(=O)c1cccc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001225417560 941855830 /nfs/dbraw/zinc/85/58/30/941855830.db2.gz LPLYIHUJJCQPSG-LLVKDONJSA-O 1 0 251.350 1.520 20 5 CDBDRO Cc1cc(O[C@@H]2CCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC001225660067 941894799 /nfs/dbraw/zinc/89/47/99/941894799.db2.gz BBUJRNWFRIZPNL-SNVBAGLBSA-N 1 0 251.286 1.771 20 5 CDBDRO C[N@@H+]1CC[C@H](Oc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC001226129497 941955221 /nfs/dbraw/zinc/95/52/21/941955221.db2.gz DJEMKNGSINWZJR-QMMMGPOBSA-N 1 0 257.677 1.726 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2ncc([N+](=O)[O-])cc2C)C1 ZINC001226760630 942065075 /nfs/dbraw/zinc/06/50/75/942065075.db2.gz BWSZTOKZHQXJOJ-NSHDSACASA-N 1 0 251.286 1.771 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001230315176 942606182 /nfs/dbraw/zinc/60/61/82/942606182.db2.gz KHSVCLIRAHWGSN-VIFPVBQESA-N 1 0 284.292 1.977 20 5 CDBDRO COC(=O)c1cc(C)nc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001234005781 943712530 /nfs/dbraw/zinc/71/25/30/943712530.db2.gz SJTLFXHZOLYBPX-LLVKDONJSA-N 1 0 267.349 1.650 20 5 CDBDRO C[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001263197372 943783538 /nfs/dbraw/zinc/78/35/38/943783538.db2.gz UOSNVUNICNEXFL-MNOVXSKESA-N 1 0 277.324 1.772 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1nccnc1C[NH3+] ZINC001254539616 947517561 /nfs/dbraw/zinc/51/75/61/947517561.db2.gz GAVNXMDSCLBUHR-SNVBAGLBSA-N 1 0 287.323 1.887 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(C(=O)N(C)C)C1 ZINC001254561702 947526129 /nfs/dbraw/zinc/52/61/29/947526129.db2.gz ILBHXAFRBFERMB-NSHDSACASA-N 1 0 291.351 1.546 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)C2 ZINC001254585361 947540738 /nfs/dbraw/zinc/54/07/38/947540738.db2.gz VVPFDTFEHQMEQX-YUELXQCFSA-N 1 0 276.336 1.955 20 5 CDBDRO Cc1nccnc1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254586870 947543706 /nfs/dbraw/zinc/54/37/06/947543706.db2.gz LRYRTHVAHVOFDY-CYBMUJFWSA-N 1 0 284.319 1.950 20 5 CDBDRO Cn1cc(C[N@H+](C)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001254601083 947548973 /nfs/dbraw/zinc/54/89/73/947548973.db2.gz YQXNPNIGNMLZBQ-HNNXBMFYSA-N 1 0 286.335 1.928 20 5 CDBDRO NC(=O)[C@@H]1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254600862 947550298 /nfs/dbraw/zinc/55/02/98/947550298.db2.gz WLFRNJMHQXJRLS-BXUZGUMPSA-N 1 0 289.335 1.259 20 5 CDBDRO C[C@@H]1C[C@H](O)CC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604908 947552303 /nfs/dbraw/zinc/55/23/03/947552303.db2.gz YMCLGUGTWOXUTJ-WKPIXPDZSA-N 1 0 276.336 1.907 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(CCO)CCO ZINC001246340939 948118793 /nfs/dbraw/zinc/11/87/93/948118793.db2.gz VXNSUIKZINDHCU-NSHDSACASA-N 1 0 282.340 1.249 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@@H]1C[NH2+]CC[C@H]1F)C2 ZINC001246497521 948208871 /nfs/dbraw/zinc/20/88/71/948208871.db2.gz NOUPEKWVSKPZRZ-MRVWCRGKSA-N 1 0 279.315 1.352 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246664340 948396481 /nfs/dbraw/zinc/39/64/81/948396481.db2.gz YSVOBTOCMRLQHJ-OSAQELSMSA-N 1 0 275.352 1.949 20 5 CDBDRO COc1ccc(C[C@H](C)N2C[C@@H]3C[C@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC001246869636 948494448 /nfs/dbraw/zinc/49/44/48/948494448.db2.gz NAPQQFNQWBKVNG-WBIUFABUSA-N 1 0 291.351 1.567 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CC23C[NH2+]C3)n1 ZINC001247871617 948835402 /nfs/dbraw/zinc/83/54/02/948835402.db2.gz ORHPASJWRCRACW-SSDOTTSWSA-N 1 0 291.242 1.256 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC001329299702 955809570 /nfs/dbraw/zinc/80/95/70/955809570.db2.gz NBUAEZXWQAXDPV-JTQLQIEISA-N 1 0 292.339 1.318 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC001332173898 957464965 /nfs/dbraw/zinc/46/49/65/957464965.db2.gz NKAGANOMBNOVTR-SNVBAGLBSA-N 1 0 279.340 1.560 20 5 CDBDRO C[NH2+][C@H](C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001332173532 957465088 /nfs/dbraw/zinc/46/50/88/957465088.db2.gz KCFCXVGCULDICC-MRVPVSSYSA-N 1 0 296.283 1.231 20 5 CDBDRO O=C(C[NH+]1CCCC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001332454392 957571565 /nfs/dbraw/zinc/57/15/65/957571565.db2.gz LCDXJGNFTNPJEB-UHFFFAOYSA-N 1 0 275.308 1.533 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001337811025 961442643 /nfs/dbraw/zinc/44/26/43/961442643.db2.gz VULNDSNIQHLXMN-NWDGAFQWSA-N 1 0 276.340 1.759 20 5 CDBDRO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CC[N+](=O)[O-] ZINC001338534277 961861898 /nfs/dbraw/zinc/86/18/98/961861898.db2.gz DYPXMVVOLLMPNA-ZJUUUORDSA-N 1 0 275.349 1.545 20 5 CDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH3+])CC1 ZINC001341416407 963407221 /nfs/dbraw/zinc/40/72/21/963407221.db2.gz YWGAWNIDYWWXEZ-SECBINFHSA-N 1 0 295.364 1.683 20 5 CDBDRO C[C@H]([NH3+])CN(C)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001342336624 963714040 /nfs/dbraw/zinc/71/40/40/963714040.db2.gz CRSSMCPDAQOINZ-TVYUQYBPSA-N 1 0 277.324 1.504 20 5 CDBDRO C[C@@H](NC(=O)[C@@]1(F)CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001342592374 963773222 /nfs/dbraw/zinc/77/32/22/963773222.db2.gz RXLYQUBBCKCOHY-NOZJJQNGSA-N 1 0 281.287 1.474 20 5 CDBDRO Cc1cc(NC(=O)CCN2CCOCC2)cc([N+](=O)[O-])c1 ZINC001349858046 966501336 /nfs/dbraw/zinc/50/13/36/966501336.db2.gz QJMQPUKSJMUHQY-UHFFFAOYSA-N 1 0 293.323 1.564 20 5 CDBDRO CC[C@@H](CO)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001351412808 966931993 /nfs/dbraw/zinc/93/19/93/966931993.db2.gz BGQIDBVSVTVJTQ-JTQLQIEISA-N 1 0 268.317 1.199 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCCC[NH2+]1 ZINC001355519404 969188589 /nfs/dbraw/zinc/18/85/89/969188589.db2.gz HDPMSODPFWVVDT-CYBMUJFWSA-N 1 0 291.351 1.786 20 5 CDBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1cc(N)c([N+](=O)[O-])cn1 ZINC001515470811 969897011 /nfs/dbraw/zinc/89/70/11/969897011.db2.gz QYHNIGLBGHUMSF-JTQLQIEISA-N 1 0 279.344 1.350 20 5 CDBDRO CN(CC(C)(C)[NH3+])c1cc(F)c([N+](=O)[O-])cc1CO ZINC001578440641 1171914492 /nfs/dbraw/zinc/91/44/92/1171914492.db2.gz LTTLTPZVGNMFSR-UHFFFAOYSA-N 1 0 271.292 1.400 20 5 CDBDRO CC[C@H]1C[N@H+](C)CCCN1c1c([N+](=O)[O-])ncn1C ZINC000601192631 342488519 /nfs/dbraw/zinc/48/85/19/342488519.db2.gz XXHRBYJXPJMGQD-JTQLQIEISA-N 1 0 267.333 1.249 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000320672863 341993887 /nfs/dbraw/zinc/99/38/87/341993887.db2.gz JVKYQRAQTUXCTL-VHSXEESVSA-N 1 0 265.313 1.759 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@H]2C[C@@H](CO)C2)n1 ZINC000601292170 342549696 /nfs/dbraw/zinc/54/96/96/342549696.db2.gz TUBZERHQBNUBFG-RNJOBUHISA-N 1 0 294.355 1.636 20 5 CDBDRO O=[N+]([O-])c1ccc(CN[C@]23CCC[C@@H]2C[NH2+]C3)c(F)c1 ZINC000601328809 342554436 /nfs/dbraw/zinc/55/44/36/342554436.db2.gz ZWHICJPAMHFGTI-RISCZKNCSA-N 1 0 279.315 1.966 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000127703502 187327287 /nfs/dbraw/zinc/32/72/87/187327287.db2.gz QNHHOTLDPJPLRC-ZDUSSCGKSA-N 1 0 277.324 1.348 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCCCO)OCCO2 ZINC000618731745 349518656 /nfs/dbraw/zinc/51/86/56/349518656.db2.gz HBJRBLXGTOZQES-UHFFFAOYSA-N 1 0 282.296 1.228 20 5 CDBDRO C[C@H](O)CC[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000135542113 361744464 /nfs/dbraw/zinc/74/44/64/361744464.db2.gz YRUMYLGVSWZMIM-VIFPVBQESA-N 1 0 256.277 1.937 20 5 CDBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000600313462 342086357 /nfs/dbraw/zinc/08/63/57/342086357.db2.gz XMHVIEORRMDBMK-JTQLQIEISA-N 1 0 280.328 1.385 20 5 CDBDRO C[C@H](CNc1cccnc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000609039178 342087812 /nfs/dbraw/zinc/08/78/12/342087812.db2.gz STHUWLRRDIUVEQ-LLVKDONJSA-N 1 0 279.344 1.038 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](C3CCC3)C2)n1 ZINC000591061975 342614831 /nfs/dbraw/zinc/61/48/31/342614831.db2.gz PXNZCOIILRMDJO-GFCCVEGCSA-N 1 0 264.329 1.913 20 5 CDBDRO C[NH+](C)CCn1cc(Nc2ncc([N+](=O)[O-])cc2F)cn1 ZINC000591143041 342618349 /nfs/dbraw/zinc/61/83/49/342618349.db2.gz MSHSACPQXAVEPF-UHFFFAOYSA-N 1 0 294.290 1.631 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000117202926 342621801 /nfs/dbraw/zinc/62/18/01/342621801.db2.gz QNXXGNKEFSLXCK-LSDHHAIUSA-N 1 0 291.351 1.630 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000591687954 342643325 /nfs/dbraw/zinc/64/33/25/342643325.db2.gz OSWYNZCUBGZVFV-LBPRGKRZSA-N 1 0 295.339 1.707 20 5 CDBDRO [NH3+][C@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592424762 342690334 /nfs/dbraw/zinc/69/03/34/342690334.db2.gz YJHFYQYVZSTKPT-NSHDSACASA-N 1 0 293.323 1.289 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592438936 342692881 /nfs/dbraw/zinc/69/28/81/342692881.db2.gz WGGFWWKBEVAOQN-VHSXEESVSA-N 1 0 295.339 1.581 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000592568240 342706998 /nfs/dbraw/zinc/70/69/98/342706998.db2.gz BQZDNTAJTAQSRA-WDEREUQCSA-N 1 0 294.355 1.273 20 5 CDBDRO C[C@@H](CCO)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000593110335 342769723 /nfs/dbraw/zinc/76/97/23/342769723.db2.gz UYPZSKHIQAUUPT-NSHDSACASA-N 1 0 268.313 1.676 20 5 CDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000078022636 342202674 /nfs/dbraw/zinc/20/26/74/342202674.db2.gz WUOVLURXCLDOBI-LBPRGKRZSA-N 1 0 264.329 1.766 20 5 CDBDRO COc1cc(C[NH2+][C@H](CO)CCF)c([N+](=O)[O-])cc1O ZINC000593690457 342823529 /nfs/dbraw/zinc/82/35/29/342823529.db2.gz YVDZJELBYDQYMH-VIFPVBQESA-N 1 0 288.275 1.119 20 5 CDBDRO Cc1n[nH]c(C(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])c1[N+](=O)[O-] ZINC000593917405 342851123 /nfs/dbraw/zinc/85/11/23/342851123.db2.gz VQEQSJOAICKLNV-SCZZXKLOSA-N 1 0 295.343 1.216 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](OC3CCC3)C2)c1 ZINC000594026119 342867355 /nfs/dbraw/zinc/86/73/55/342867355.db2.gz CYJJSBBFZDWMTF-CQSZACIVSA-N 1 0 294.355 1.825 20 5 CDBDRO CCOC(=O)CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000594052269 342872592 /nfs/dbraw/zinc/87/25/92/342872592.db2.gz UJLSHMJUVIGEAR-UHFFFAOYSA-N 1 0 298.343 1.455 20 5 CDBDRO C[C@@H]([NH2+]C[C@H]1COCCN1)c1ccc([N+](=O)[O-])cc1 ZINC000600707982 342243304 /nfs/dbraw/zinc/24/33/04/342243304.db2.gz CERFVIVJSCTBHU-PWSUYJOCSA-N 1 0 265.313 1.234 20 5 CDBDRO CCN(CC[NH3+])CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000600717539 342244322 /nfs/dbraw/zinc/24/43/22/342244322.db2.gz QOMXPKRAAJVGQW-UHFFFAOYSA-N 1 0 294.355 1.512 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107573334 349706647 /nfs/dbraw/zinc/70/66/47/349706647.db2.gz UCPLBNBAXTWASQ-RYUDHWBXSA-N 1 0 277.324 1.255 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C/C=C/CO ZINC000595069771 343002355 /nfs/dbraw/zinc/00/23/55/343002355.db2.gz KUIGINFMCFAPKJ-HMDXOVGESA-N 1 0 266.297 1.803 20 5 CDBDRO CC[C@@H](O)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000595077800 343002989 /nfs/dbraw/zinc/00/29/89/343002989.db2.gz XDMNWVUKYGIQCG-WOPDTQHZSA-N 1 0 282.344 1.636 20 5 CDBDRO Cc1noc(C[NH2+][C@@H](C)[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000595433409 343059270 /nfs/dbraw/zinc/05/92/70/343059270.db2.gz WKKMIQGJLCJUNW-WPRPVWTQSA-N 1 0 269.301 1.796 20 5 CDBDRO C[NH+](C)CC(C)(C)CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596056288 343222007 /nfs/dbraw/zinc/22/20/07/343222007.db2.gz QKZDXDYTPBGJRV-UHFFFAOYSA-N 1 0 268.317 1.695 20 5 CDBDRO Cc1cc(NC[C@@H](C)N2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000080600629 342357365 /nfs/dbraw/zinc/35/73/65/342357365.db2.gz XRVLBUSFQVGQLM-GFCCVEGCSA-N 1 0 293.371 1.346 20 5 CDBDRO COc1ccc(C(=O)N(C)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000595944938 343205028 /nfs/dbraw/zinc/20/50/28/343205028.db2.gz LOPLTEOLPZYVMM-UHFFFAOYSA-N 1 0 281.312 1.413 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000595983599 343211086 /nfs/dbraw/zinc/21/10/86/343211086.db2.gz PSZYTNREMQWEQQ-ZETCQYMHSA-N 1 0 271.704 1.586 20 5 CDBDRO O=C(NCCC[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000073079532 362118931 /nfs/dbraw/zinc/11/89/31/362118931.db2.gz YJNJTXACRSFZKT-UHFFFAOYSA-N 1 0 277.324 1.811 20 5 CDBDRO C[C@@H](C[NH+]1CCCCC1)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596078290 343227233 /nfs/dbraw/zinc/22/72/33/343227233.db2.gz VMVCBOGFQKMVHR-JTQLQIEISA-N 1 0 280.328 1.982 20 5 CDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(N)c([N+](=O)[O-])n1 ZINC000596177814 343261624 /nfs/dbraw/zinc/26/16/24/343261624.db2.gz HCMMVOCOGUYTTF-IUCAKERBSA-N 1 0 265.317 1.101 20 5 CDBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596217897 343269340 /nfs/dbraw/zinc/26/93/40/343269340.db2.gz ZFCVUQLUOSXNLB-LLVKDONJSA-N 1 0 293.371 1.526 20 5 CDBDRO Cc1cccnc1CCCNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596255593 343275858 /nfs/dbraw/zinc/27/58/58/343275858.db2.gz UFPALDARGVHFOO-UHFFFAOYSA-N 1 0 287.323 1.742 20 5 CDBDRO C[C@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000596255702 343275921 /nfs/dbraw/zinc/27/59/21/343275921.db2.gz QVXBBSQLXCGWAT-SNVBAGLBSA-N 1 0 292.339 1.616 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000219756997 342439536 /nfs/dbraw/zinc/43/95/36/342439536.db2.gz UXGIPZRFHONGQJ-ISALQUGTSA-N 1 0 261.281 1.168 20 5 CDBDRO Cc1nn(C)c(C(=O)N[C@](C)(C[NH3+])CC(C)C)c1[N+](=O)[O-] ZINC000236694936 282256107 /nfs/dbraw/zinc/25/61/07/282256107.db2.gz UGHUIHPFCVXOBO-ZDUSSCGKSA-N 1 0 297.359 1.130 20 5 CDBDRO C[C@]1(NC(=O)NCCc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000597432188 343535519 /nfs/dbraw/zinc/53/55/19/343535519.db2.gz KNKJCRBTPLJTCH-AWEZNQCLSA-N 1 0 292.339 1.189 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@H]([NH3+])C[C@H]2C)c1 ZINC001578874396 1172031582 /nfs/dbraw/zinc/03/15/82/1172031582.db2.gz OSGIEMYPMHNBEW-BXKDBHETSA-N 1 0 293.323 1.303 20 5 CDBDRO C[N@@H+]1CCN(CCNc2cccnc2[N+](=O)[O-])CC1(C)C ZINC000619651985 349836032 /nfs/dbraw/zinc/83/60/32/349836032.db2.gz XRBWACLKQJBDFC-UHFFFAOYSA-N 1 0 293.371 1.428 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H](C)[NH+](C)C)c1 ZINC000597990954 343681844 /nfs/dbraw/zinc/68/18/44/343681844.db2.gz BNHHPOVAOVSOBP-JTQLQIEISA-N 1 0 295.339 1.673 20 5 CDBDRO COC(=O)c1ccnc(NCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000598587861 343836183 /nfs/dbraw/zinc/83/61/83/343836183.db2.gz FJQLFISLLHKJDX-UHFFFAOYSA-N 1 0 294.311 1.283 20 5 CDBDRO C[NH2+]C1(CNc2ncc([N+](=O)[O-])cc2C)CCC1 ZINC000598633086 343849594 /nfs/dbraw/zinc/84/95/94/343849594.db2.gz KKZACNVBPLAVHO-UHFFFAOYSA-N 1 0 250.302 1.852 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598670707 343872327 /nfs/dbraw/zinc/87/23/27/343872327.db2.gz XJOVCDVISSXETC-OTYXRUKQSA-N 1 0 290.323 1.130 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598917030 343920534 /nfs/dbraw/zinc/92/05/34/343920534.db2.gz PTVGMYITHXZNFO-MRVPVSSYSA-N 1 0 282.275 1.560 20 5 CDBDRO C[NH+](C)CC1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601608556 344209989 /nfs/dbraw/zinc/20/99/89/344209989.db2.gz ITYHJYHZTHDAFV-UHFFFAOYSA-N 1 0 281.287 1.368 20 5 CDBDRO [NH3+][C@@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000602421596 344419983 /nfs/dbraw/zinc/41/99/83/344419983.db2.gz ORSKAEGADPFVPY-GFCCVEGCSA-N 1 0 289.335 1.576 20 5 CDBDRO [NH3+]C[C@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602427330 344422306 /nfs/dbraw/zinc/42/23/06/344422306.db2.gz FGMUZMUOLUWZSA-MRVPVSSYSA-N 1 0 267.260 1.155 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000602599370 344503954 /nfs/dbraw/zinc/50/39/54/344503954.db2.gz NQDAGXHDQKQPJE-KYZUINATSA-N 1 0 283.353 1.904 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000602600295 344504970 /nfs/dbraw/zinc/50/49/70/344504970.db2.gz VEPSHQJYPKLZBX-ONGXEEELSA-N 1 0 263.297 1.085 20 5 CDBDRO COc1cc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc([N+](=O)[O-])c1C ZINC000602587373 344478114 /nfs/dbraw/zinc/47/81/14/344478114.db2.gz FOJSBBOIIKMPPI-QWRGUYRKSA-N 1 0 291.307 1.098 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](CO)[C@@H]2CCOC2)cc1 ZINC000602642900 344513118 /nfs/dbraw/zinc/51/31/18/344513118.db2.gz CFLWZQJHSWVLPY-ZIAGYGMSSA-N 1 0 294.351 1.372 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000154700858 529998482 /nfs/dbraw/zinc/99/84/82/529998482.db2.gz PTEUCGIFGUWWCM-VIFPVBQESA-N 1 0 297.380 1.902 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCCCO)C1CC1 ZINC000602783418 344597649 /nfs/dbraw/zinc/59/76/49/344597649.db2.gz ZGYNONWXYXJOJI-UHFFFAOYSA-N 1 0 282.344 1.337 20 5 CDBDRO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602773432 344577735 /nfs/dbraw/zinc/57/77/35/344577735.db2.gz SIKRFSMKZFJCGS-UHFFFAOYSA-N 1 0 252.318 1.974 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC=C(C)CC1 ZINC000602794839 344585895 /nfs/dbraw/zinc/58/58/95/344585895.db2.gz KNRUQBRVSAQQLV-UHFFFAOYSA-N 1 0 250.302 1.752 20 5 CDBDRO C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])o2)CCC[NH2+]C1 ZINC000128980735 362475218 /nfs/dbraw/zinc/47/52/18/362475218.db2.gz ISAMOASMLNWBFR-LBPRGKRZSA-N 1 0 267.285 1.307 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1NC[C@@H]1CSCC[NH2+]1 ZINC000603418566 344807769 /nfs/dbraw/zinc/80/77/69/344807769.db2.gz GGKIDYRWVVTXOT-MRVPVSSYSA-N 1 0 271.317 1.851 20 5 CDBDRO O=[N+]([O-])c1cncc(Cl)c1OC[C@H]1CC[NH2+]C1 ZINC000302509938 344867582 /nfs/dbraw/zinc/86/75/82/344867582.db2.gz BUBCGJRREBNGKI-ZETCQYMHSA-N 1 0 257.677 1.632 20 5 CDBDRO C[NH2+][C@@H](C)c1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000313522182 344907268 /nfs/dbraw/zinc/90/72/68/344907268.db2.gz OBURYIROSFZRHT-QMMMGPOBSA-N 1 0 279.275 1.654 20 5 CDBDRO C[NH+]1CCC(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344212839 362555410 /nfs/dbraw/zinc/55/54/10/362555410.db2.gz ODDXHIYXMYTFMP-UHFFFAOYSA-N 1 0 295.314 1.806 20 5 CDBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344237275 362558428 /nfs/dbraw/zinc/55/84/28/362558428.db2.gz DRRDVYAMPZEKNS-UHFFFAOYSA-N 1 0 295.314 1.902 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000129220260 345277238 /nfs/dbraw/zinc/27/72/38/345277238.db2.gz HJUXCDBQBIFPLA-ZYHUDNBSSA-N 1 0 277.324 1.855 20 5 CDBDRO CCC[N@H+](CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000052691355 345301762 /nfs/dbraw/zinc/30/17/62/345301762.db2.gz AYSPYCXPROTWTN-UHFFFAOYSA-N 1 0 268.313 1.678 20 5 CDBDRO Cc1c(C[N@H+](C)CCN2CCCC2=O)cccc1[N+](=O)[O-] ZINC000609578189 345816241 /nfs/dbraw/zinc/81/62/41/345816241.db2.gz GAPPKGNEZLXZCK-UHFFFAOYSA-N 1 0 291.351 1.957 20 5 CDBDRO COC(=O)C[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000610484838 346289553 /nfs/dbraw/zinc/28/95/53/346289553.db2.gz IBSYCGILIIQUHL-NSHDSACASA-N 1 0 296.327 1.209 20 5 CDBDRO CC(C)[NH2+][C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000610485052 346290810 /nfs/dbraw/zinc/29/08/10/346290810.db2.gz GAJBHMPIQDRAJV-LBPRGKRZSA-N 1 0 281.360 1.254 20 5 CDBDRO CCC[C@@H]([NH3+])C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000228890979 140198596 /nfs/dbraw/zinc/19/85/96/140198596.db2.gz QJURNHUOSUNXCX-SECBINFHSA-N 1 0 267.285 1.669 20 5 CDBDRO CC[N@@H+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC000611084781 346604454 /nfs/dbraw/zinc/60/44/54/346604454.db2.gz SPVADFRGZKQDSG-NSHDSACASA-N 1 0 264.329 1.829 20 5 CDBDRO CC[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611088372 346604956 /nfs/dbraw/zinc/60/49/56/346604956.db2.gz RXVPKKWVJHBFDC-LBPRGKRZSA-N 1 0 291.351 1.690 20 5 CDBDRO CC[N@@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000611221651 346695402 /nfs/dbraw/zinc/69/54/02/346695402.db2.gz DSLKLALCLWDTBI-QWRGUYRKSA-N 1 0 264.329 1.909 20 5 CDBDRO CC(C)[N@H+](CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000085861897 179190622 /nfs/dbraw/zinc/19/06/22/179190622.db2.gz ZBEWVSRCPDZRBD-UHFFFAOYSA-N 1 0 268.313 1.676 20 5 CDBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ncc([N+](=O)[O-])cn1 ZINC000612785925 347283540 /nfs/dbraw/zinc/28/35/40/347283540.db2.gz HBNNUZSSJZRYBM-JTQLQIEISA-N 1 0 265.317 1.671 20 5 CDBDRO C[N@H+](CCOCC1CC1)CCn1cc([N+](=O)[O-])cn1 ZINC000088599645 365910156 /nfs/dbraw/zinc/91/01/56/365910156.db2.gz BJPLYFZLLDENEG-UHFFFAOYSA-N 1 0 268.317 1.150 20 5 CDBDRO CC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000054151882 347816505 /nfs/dbraw/zinc/81/65/05/347816505.db2.gz HZJYLZRQNYYTKO-UHFFFAOYSA-N 1 0 295.314 1.948 20 5 CDBDRO C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000128864746 187395375 /nfs/dbraw/zinc/39/53/75/187395375.db2.gz JEAJGQOXMJZVAL-AWEZNQCLSA-N 1 0 277.324 1.714 20 5 CDBDRO C[C@@]1(CNC(=O)c2csc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000128959104 187401525 /nfs/dbraw/zinc/40/15/25/187401525.db2.gz UBLVSXPZRPRSKL-GFCCVEGCSA-N 1 0 283.353 1.776 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000068470734 349068338 /nfs/dbraw/zinc/06/83/38/349068338.db2.gz CCRVKCLWMJQBSX-NSHDSACASA-N 1 0 279.340 1.594 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](C)C2)c1 ZINC000110652163 186311139 /nfs/dbraw/zinc/31/11/39/186311139.db2.gz BFCAHLCZGMXSQX-SNVBAGLBSA-N 1 0 293.323 1.285 20 5 CDBDRO C[C@H](CNc1ncc([N+](=O)[O-])cn1)C[NH+]1CCCC1 ZINC000062075520 362978691 /nfs/dbraw/zinc/97/86/91/362978691.db2.gz LADAAENCDYNLLS-SNVBAGLBSA-N 1 0 265.317 1.529 20 5 CDBDRO C[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000078655022 350838612 /nfs/dbraw/zinc/83/86/12/350838612.db2.gz ZATUGKGGMOQVKD-JTQLQIEISA-N 1 0 280.328 1.073 20 5 CDBDRO COCC[N@@H+]1CCC[C@H](Nc2ncc(C)cc2[N+](=O)[O-])C1 ZINC000078660363 350839918 /nfs/dbraw/zinc/83/99/18/350839918.db2.gz DKJWINAEMWMXIW-LBPRGKRZSA-N 1 0 294.355 1.821 20 5 CDBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000079768699 350968111 /nfs/dbraw/zinc/96/81/11/350968111.db2.gz OBTHMDQKFMBZEC-CYBMUJFWSA-N 1 0 250.298 1.798 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC23CCC3)c1 ZINC000081563853 351153593 /nfs/dbraw/zinc/15/35/93/351153593.db2.gz RLDOGIXHNYQXRX-CYBMUJFWSA-N 1 0 292.335 1.963 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000264458507 363070821 /nfs/dbraw/zinc/07/08/21/363070821.db2.gz XMEXMDGIJUCHFD-VIFPVBQESA-N 1 0 283.353 1.823 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000122324447 187027175 /nfs/dbraw/zinc/02/71/75/187027175.db2.gz SCNCBQHUIKOLEK-QMMMGPOBSA-N 1 0 255.299 1.220 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000124115866 187122722 /nfs/dbraw/zinc/12/27/22/187122722.db2.gz DMVKKPNENLICMP-QMMMGPOBSA-N 1 0 283.715 1.730 20 5 CDBDRO C[C@@H](C[NH3+])N(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000557140864 290331124 /nfs/dbraw/zinc/33/11/24/290331124.db2.gz ZZKSHZWYTYEYJW-VIFPVBQESA-N 1 0 266.301 1.083 20 5 CDBDRO C[C@H](CCCC[NH3+])NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000292031956 198139797 /nfs/dbraw/zinc/13/97/97/198139797.db2.gz GXGQUWGVNOJUSO-LLVKDONJSA-N 1 0 294.355 1.640 20 5 CDBDRO C[C@H](CCCC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000292116194 198168567 /nfs/dbraw/zinc/16/85/67/198168567.db2.gz QBDNZJNVSKTIQG-SECBINFHSA-N 1 0 280.328 1.424 20 5 CDBDRO C[C@@](C[NH3+])(NC(=O)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000154823245 188164498 /nfs/dbraw/zinc/16/44/98/188164498.db2.gz BEGSGPJMYKSQKV-HNNXBMFYSA-N 1 0 291.351 1.771 20 5 CDBDRO COc1cc(C(=O)N2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000156663830 188275211 /nfs/dbraw/zinc/27/52/11/188275211.db2.gz LIMIENOSUAXPBD-SNVBAGLBSA-N 1 0 279.296 1.167 20 5 CDBDRO COc1cc(C(=O)N2CC[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000156717456 188277825 /nfs/dbraw/zinc/27/78/25/188277825.db2.gz FCIPJRDXKUNXSM-SECBINFHSA-N 1 0 279.296 1.037 20 5 CDBDRO C[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000156737237 188279110 /nfs/dbraw/zinc/27/91/10/188279110.db2.gz XVTGDRJDJVLAQU-ZJUUUORDSA-N 1 0 265.313 1.237 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158233016 188365543 /nfs/dbraw/zinc/36/55/43/188365543.db2.gz CCNSSDMMWQBLBW-OAHLLOKOSA-N 1 0 289.335 1.349 20 5 CDBDRO CNc1ccc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000516925437 363264967 /nfs/dbraw/zinc/26/49/67/363264967.db2.gz QAWMBZKCOFTSOP-KOLCDFICSA-N 1 0 292.339 1.507 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000268927879 366150605 /nfs/dbraw/zinc/15/06/05/366150605.db2.gz LMXLERSHPWTNPZ-SNVBAGLBSA-N 1 0 265.313 1.252 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000168716996 188651890 /nfs/dbraw/zinc/65/18/90/188651890.db2.gz BTEGZJJMFGFFKD-PWSUYJOCSA-N 1 0 277.324 1.333 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000063192922 363375236 /nfs/dbraw/zinc/37/52/36/363375236.db2.gz OIOZEQNXEGWOHG-GXSJLCMTSA-N 1 0 280.328 1.275 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000063192666 363383777 /nfs/dbraw/zinc/38/37/77/363383777.db2.gz ONFJPSPWMLXOIO-GXFFZTMASA-N 1 0 277.324 1.937 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063199174 363399164 /nfs/dbraw/zinc/39/91/64/363399164.db2.gz ICNJDBYMVIRIJK-NSHDSACASA-N 1 0 292.339 1.527 20 5 CDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000382446137 363425047 /nfs/dbraw/zinc/42/50/47/363425047.db2.gz JGKZIPBZKOFXSS-NWDGAFQWSA-N 1 0 277.324 1.381 20 5 CDBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@](C)(O)C[NH+](C)C ZINC000286366288 356269636 /nfs/dbraw/zinc/26/96/36/356269636.db2.gz XLICEFGWUFDQPI-CQSZACIVSA-N 1 0 295.339 1.522 20 5 CDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ncccc2[N+](=O)[O-])C1 ZINC000269088208 283163272 /nfs/dbraw/zinc/16/32/72/283163272.db2.gz ISYXRXXFZGIPMJ-NEPJUHHUSA-N 1 0 276.340 1.910 20 5 CDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccnc1 ZINC000181656126 357371405 /nfs/dbraw/zinc/37/14/05/357371405.db2.gz QEOBDFDPVJZIMB-NSHDSACASA-N 1 0 288.307 1.502 20 5 CDBDRO CNC(=O)[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182082917 357405104 /nfs/dbraw/zinc/40/51/04/357405104.db2.gz VOVFUTSIWUKHQZ-GFCCVEGCSA-N 1 0 297.742 1.959 20 5 CDBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccn1 ZINC000181784091 357381309 /nfs/dbraw/zinc/38/13/09/357381309.db2.gz ZUTJQKCNGNQUDE-SNVBAGLBSA-N 1 0 261.285 1.537 20 5 CDBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000185615321 357560172 /nfs/dbraw/zinc/56/01/72/357560172.db2.gz GFROVFBPSCTIQP-GHMZBOCLSA-N 1 0 252.318 1.912 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[NH+](C)C)c1 ZINC000283497824 357565727 /nfs/dbraw/zinc/56/57/27/357565727.db2.gz OQAFEZXDHCRXQD-SNVBAGLBSA-N 1 0 295.339 1.673 20 5 CDBDRO Cn1c(C(=O)N[C@H]2C[C@@H]2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000361081823 357793714 /nfs/dbraw/zinc/79/37/14/357793714.db2.gz SONTUTXITZGENV-MNOVXSKESA-N 1 0 292.339 1.051 20 5 CDBDRO COC(=O)C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000188674609 357924980 /nfs/dbraw/zinc/92/49/80/357924980.db2.gz GVEXDILERSZUQW-UHFFFAOYSA-N 1 0 264.281 1.638 20 5 CDBDRO Cc1cc(NC(=O)NC[C@@H](C)C[NH3+])cc([N+](=O)[O-])c1 ZINC001579631003 1172228762 /nfs/dbraw/zinc/22/87/62/1172228762.db2.gz COFZWGSQMUTDCE-VIFPVBQESA-N 1 0 266.301 1.620 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062892901 357974266 /nfs/dbraw/zinc/97/42/66/357974266.db2.gz XRVMBBOIOOYYQP-CYBMUJFWSA-N 1 0 263.297 1.841 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000189303326 357994270 /nfs/dbraw/zinc/99/42/70/357994270.db2.gz AGQOBRNTCXXGOW-HTQZYQBOSA-N 1 0 253.258 1.058 20 5 CDBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC(C)(C)C1 ZINC000361472403 358220038 /nfs/dbraw/zinc/22/00/38/358220038.db2.gz XFUSYYLTHBIMRD-YPMHNXCESA-N 1 0 296.371 1.663 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000057159459 366409669 /nfs/dbraw/zinc/40/96/69/366409669.db2.gz GIACIYWCPJCJGB-SECBINFHSA-N 1 0 267.285 1.402 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000287279414 358363219 /nfs/dbraw/zinc/36/32/19/358363219.db2.gz SYVGYGQREYKNSM-VIFPVBQESA-N 1 0 290.323 1.756 20 5 CDBDRO Cc1nc(N[C@@H]2CCC[N@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000294852584 199214732 /nfs/dbraw/zinc/21/47/32/199214732.db2.gz BHLXLBZMMVOWTE-GFCCVEGCSA-N 1 0 294.355 1.557 20 5 CDBDRO Cc1nc(NCC2([NH+](C)C)CCC2)ncc1[N+](=O)[O-] ZINC000294880540 199229467 /nfs/dbraw/zinc/22/94/67/199229467.db2.gz FMIJDOVYBRFGKH-UHFFFAOYSA-N 1 0 265.317 1.589 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135444201 358753128 /nfs/dbraw/zinc/75/31/28/358753128.db2.gz UVQRFTJYETWOOB-UHFFFAOYSA-N 1 0 269.276 1.463 20 5 CDBDRO COc1ccc(C[N@H+](C)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000106884344 359011627 /nfs/dbraw/zinc/01/16/27/359011627.db2.gz SPRJJRPARZWJLJ-NSHDSACASA-N 1 0 266.297 1.824 20 5 CDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000106886075 359011804 /nfs/dbraw/zinc/01/18/04/359011804.db2.gz SECSXGIDTULBFF-OLZOCXBDSA-N 1 0 296.323 1.055 20 5 CDBDRO CC[C@@]1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000274663970 192713091 /nfs/dbraw/zinc/71/30/91/192713091.db2.gz WWHVOCZISZZNEQ-HNNXBMFYSA-N 1 0 291.351 1.786 20 5 CDBDRO CCC[C@@H]([NH3+])C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000353085597 359143398 /nfs/dbraw/zinc/14/33/98/359143398.db2.gz HZDRBPMRRLPVEP-GFCCVEGCSA-N 1 0 280.328 1.250 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000313517700 359147855 /nfs/dbraw/zinc/14/78/55/359147855.db2.gz NMGPXUAGOAGSOP-NOZJJQNGSA-N 1 0 283.303 1.282 20 5 CDBDRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296723809 359213879 /nfs/dbraw/zinc/21/38/79/359213879.db2.gz NFEOJHVRCQOJBQ-IUCAKERBSA-N 1 0 294.311 1.090 20 5 CDBDRO COc1cc(C[NH2+]CC(C)(C)O)c([N+](=O)[O-])cc1O ZINC000111385751 359221912 /nfs/dbraw/zinc/22/19/12/359221912.db2.gz JMDIMZDQUAOFKY-UHFFFAOYSA-N 1 0 270.285 1.170 20 5 CDBDRO CC[N@H+](C)CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000112926186 359365711 /nfs/dbraw/zinc/36/57/11/359365711.db2.gz NWBQZMCAYPFTSJ-UHFFFAOYSA-N 1 0 280.328 1.075 20 5 CDBDRO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H](C)CO ZINC000339631129 359419635 /nfs/dbraw/zinc/41/96/35/359419635.db2.gz SQBSOYZYURCWCS-LLVKDONJSA-N 1 0 295.339 1.544 20 5 CDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339679968 359427376 /nfs/dbraw/zinc/42/73/76/359427376.db2.gz UNWTVNHHPVWEDA-CYBMUJFWSA-N 1 0 291.351 1.879 20 5 CDBDRO CC(C)[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C1(CO)CCC1 ZINC000339727182 359428267 /nfs/dbraw/zinc/42/82/67/359428267.db2.gz IJANZHFWLYQXPI-LBPRGKRZSA-N 1 0 296.371 1.605 20 5 CDBDRO Cc1ccc(C(=O)N[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000068470029 359383904 /nfs/dbraw/zinc/38/39/04/359383904.db2.gz GCNVFUKRMDDLNB-LLVKDONJSA-N 1 0 279.340 1.973 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000162180131 359464127 /nfs/dbraw/zinc/46/41/27/359464127.db2.gz LJVOULDNXRYJTJ-QWRGUYRKSA-N 1 0 277.324 1.903 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)C1CCC1 ZINC000221183498 359502386 /nfs/dbraw/zinc/50/23/86/359502386.db2.gz OLVCVETYLQXGIA-UHFFFAOYSA-N 1 0 280.324 1.950 20 5 CDBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000049948341 359525371 /nfs/dbraw/zinc/52/53/71/359525371.db2.gz YDJCIYQCMAZNHE-LLVKDONJSA-N 1 0 277.324 1.695 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]([NH3+])C(C)C ZINC000157300835 237099598 /nfs/dbraw/zinc/09/95/98/237099598.db2.gz WQCCTIFKQODOPP-NSHDSACASA-N 1 0 281.312 1.317 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CN(C)c1ncc([N+](=O)[O-])c(C)n1 ZINC000297467025 200201232 /nfs/dbraw/zinc/20/12/32/200201232.db2.gz KMDOSUJSFQDLAN-LLVKDONJSA-N 1 0 279.344 1.614 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[C@@H](O)C1 ZINC000351928434 359911723 /nfs/dbraw/zinc/91/17/23/359911723.db2.gz SWHIUEZBCOPSIN-SKDRFNHKSA-N 1 0 266.297 1.416 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](CO)C2)cc1 ZINC000051887252 359949468 /nfs/dbraw/zinc/94/94/68/359949468.db2.gz SBJGWERMHRUBLF-LBPRGKRZSA-N 1 0 250.298 1.452 20 5 CDBDRO Cc1cccc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC000235446783 360121966 /nfs/dbraw/zinc/12/19/66/360121966.db2.gz CQKLJCCZUNEESM-GHMZBOCLSA-N 1 0 277.324 1.774 20 5 CDBDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000177437730 189051052 /nfs/dbraw/zinc/05/10/52/189051052.db2.gz RKCKRPFKKNUIOR-AWEZNQCLSA-N 1 0 278.308 1.980 20 5 CDBDRO CCCC[N@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000112310441 360521558 /nfs/dbraw/zinc/52/15/58/360521558.db2.gz UEOYYZVMALGOOG-UHFFFAOYSA-N 1 0 293.367 1.985 20 5 CDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000348160397 360533675 /nfs/dbraw/zinc/53/36/75/360533675.db2.gz PALJDHRQBGEYLR-DGCLKSJQSA-N 1 0 295.314 1.738 20 5 CDBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000358304696 360936218 /nfs/dbraw/zinc/93/62/18/360936218.db2.gz LTXVPNBQAIDTCP-NSHDSACASA-N 1 0 296.371 1.784 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)C[C@H]12 ZINC000248559881 361064000 /nfs/dbraw/zinc/06/40/00/361064000.db2.gz AQJQMGQCSXMBCY-HRDYMLBCSA-N 1 0 281.337 1.466 20 5 CDBDRO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1CC1 ZINC000053184968 361183354 /nfs/dbraw/zinc/18/33/54/361183354.db2.gz YCROKDFRKXMPNH-UHFFFAOYSA-N 1 0 289.335 1.826 20 5 CDBDRO C[NH2+][C@H]1CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000053204418 361205591 /nfs/dbraw/zinc/20/55/91/361205591.db2.gz RDEJAHXVFDWXCC-LBPRGKRZSA-N 1 0 279.340 1.787 20 5 CDBDRO Cc1nc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000294828916 361412854 /nfs/dbraw/zinc/41/28/54/361412854.db2.gz AJIRSOYOQUHYTJ-ZYHUDNBSSA-N 1 0 291.355 1.756 20 5 CDBDRO Cc1c(NC(=O)[C@H](C)[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000134029930 361494083 /nfs/dbraw/zinc/49/40/83/361494083.db2.gz FXJGZHWJGRQLGG-APPZFPTMSA-N 1 0 251.286 1.825 20 5 CDBDRO C[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000304304792 239355848 /nfs/dbraw/zinc/35/58/48/239355848.db2.gz JJLOBCZOZSFACX-NQBHXWOUSA-N 1 0 282.344 1.273 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000581192185 363969288 /nfs/dbraw/zinc/96/92/88/363969288.db2.gz JXNIRQFVLISPEH-ZJUUUORDSA-N 1 0 290.323 1.144 20 5 CDBDRO CC1(C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[C@H]1O ZINC000275440521 193038072 /nfs/dbraw/zinc/03/80/72/193038072.db2.gz KFANHTBQCIWHQE-UONOGXRCSA-N 1 0 294.351 1.721 20 5 CDBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@H]1CCNC1=O ZINC000573132821 365252010 /nfs/dbraw/zinc/25/20/10/365252010.db2.gz KTVXGEROHMPMDY-CYBMUJFWSA-N 1 0 291.351 1.595 20 5 CDBDRO CC[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000270903532 366942940 /nfs/dbraw/zinc/94/29/40/366942940.db2.gz MWOJFFRVXBAKEO-RISCZKNCSA-N 1 0 280.324 1.676 20 5 CDBDRO CCn1cc([N+](=O)[O-])c(-c2nc([C@H]([NH3+])CC(C)C)no2)n1 ZINC000414621549 241279258 /nfs/dbraw/zinc/27/92/58/241279258.db2.gz RGZYPNCNLUZFFC-MRVPVSSYSA-N 1 0 294.315 1.907 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CC[NH3+] ZINC000414661366 241306961 /nfs/dbraw/zinc/30/69/61/241306961.db2.gz PVBKVIOCHCUUGV-SECBINFHSA-N 1 0 266.301 1.762 20 5 CDBDRO Cc1ccc(NC(=O)N[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414664106 241309078 /nfs/dbraw/zinc/30/90/78/241309078.db2.gz TUDJSUKFPOQLKF-NSHDSACASA-N 1 0 278.312 1.762 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[NH3+] ZINC000414663457 241309598 /nfs/dbraw/zinc/30/95/98/241309598.db2.gz SDYPSZAWZCCHPC-MRVPVSSYSA-N 1 0 252.274 1.372 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[NH3+] ZINC000414662092 241310534 /nfs/dbraw/zinc/31/05/34/241310534.db2.gz YINAQCKVOMAHQK-ZETCQYMHSA-N 1 0 268.273 1.072 20 5 CDBDRO COc1cc(CNC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OC ZINC000414798985 241393275 /nfs/dbraw/zinc/39/32/75/241393275.db2.gz QUEILFTYRKOWNK-NSHDSACASA-N 1 0 297.355 1.685 20 5 CDBDRO CCOc1cc(N2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000090322687 367030940 /nfs/dbraw/zinc/03/09/40/367030940.db2.gz GKRQPIKDGDGKNW-GHMZBOCLSA-N 1 0 277.324 1.649 20 5 CDBDRO Cc1cc(NC(=O)N2CC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000415433820 241681035 /nfs/dbraw/zinc/68/10/35/241681035.db2.gz MMFGRNOVHLCAKB-VIFPVBQESA-N 1 0 264.285 1.468 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000161144670 367297579 /nfs/dbraw/zinc/29/75/79/367297579.db2.gz JKFXPBWCENIVOP-GHMZBOCLSA-N 1 0 293.323 1.360 20 5 CDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccn1 ZINC000090538624 367572836 /nfs/dbraw/zinc/57/28/36/367572836.db2.gz NWDLVSAWSYEUMZ-JTQLQIEISA-N 1 0 261.285 1.537 20 5 CDBDRO C[C@@H](O)[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000272546602 367760518 /nfs/dbraw/zinc/76/05/18/367760518.db2.gz KEURAKIQVVMUHW-NEPJUHHUSA-N 1 0 280.324 1.676 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000418514910 243166407 /nfs/dbraw/zinc/16/64/07/243166407.db2.gz PJCRCRQDBWFXQY-SECBINFHSA-N 1 0 266.301 1.083 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000418735981 243389454 /nfs/dbraw/zinc/38/94/54/243389454.db2.gz UFELBEVCXTUWDR-LBPRGKRZSA-N 1 0 294.355 1.516 20 5 CDBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000414868525 370918089 /nfs/dbraw/zinc/91/80/89/370918089.db2.gz QBAWGPZLMYOPBV-SNVBAGLBSA-N 1 0 253.277 1.576 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000089090896 368826988 /nfs/dbraw/zinc/82/69/88/368826988.db2.gz RJBVVRSTLJZIDC-PWSUYJOCSA-N 1 0 263.297 1.452 20 5 CDBDRO CN(C)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000330708353 203140098 /nfs/dbraw/zinc/14/00/98/203140098.db2.gz VOUFVGOPBDXBIA-VXGBXAGGSA-N 1 0 281.360 1.426 20 5 CDBDRO CCCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000276287995 193272335 /nfs/dbraw/zinc/27/23/35/193272335.db2.gz WITZHQJNKAIAOB-UHFFFAOYSA-N 1 0 283.328 1.992 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000295227509 369718404 /nfs/dbraw/zinc/71/84/04/369718404.db2.gz NKJCADIJCSWQNT-LLVKDONJSA-N 1 0 279.340 1.771 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000295560721 370487919 /nfs/dbraw/zinc/48/79/19/370487919.db2.gz QHEHBCNETPEKRJ-NSHDSACASA-N 1 0 279.344 1.837 20 5 CDBDRO CC[C@@H](CO)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000295719135 370590089 /nfs/dbraw/zinc/59/00/89/370590089.db2.gz NXFHPVDUZQEMMK-AAEUAGOBSA-N 1 0 298.339 1.037 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000422811689 245286493 /nfs/dbraw/zinc/28/64/93/245286493.db2.gz VENSCGKLFXEWGB-LBPRGKRZSA-N 1 0 291.351 1.893 20 5 CDBDRO O=C(N[C@H]1C[C@@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])o1 ZINC000361116975 284260471 /nfs/dbraw/zinc/26/04/71/284260471.db2.gz GWUWQONPDVRDTD-ZJUUUORDSA-N 1 0 279.296 1.306 20 5 CDBDRO [NH3+][C@@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000203515317 371472814 /nfs/dbraw/zinc/47/28/14/371472814.db2.gz OWKFOGWZHCFMPO-MRVPVSSYSA-N 1 0 259.269 1.075 20 5 CDBDRO Cc1c(CC(=O)NCC[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000122866494 371512719 /nfs/dbraw/zinc/51/27/19/371512719.db2.gz PYIKBYDGXNAYOD-UHFFFAOYSA-N 1 0 293.367 1.902 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)C[NH3+] ZINC000441613003 373593356 /nfs/dbraw/zinc/59/33/56/373593356.db2.gz MUQJPGNESXNYLK-MRVPVSSYSA-N 1 0 251.286 1.228 20 5 CDBDRO C[NH+]1CCN(CCCNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000298451763 373603085 /nfs/dbraw/zinc/60/30/85/373603085.db2.gz HDYVXXIZVLGELB-UHFFFAOYSA-N 1 0 296.346 1.783 20 5 CDBDRO Cc1c(NC(=O)C[C@@H]2CSCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000091135064 373747694 /nfs/dbraw/zinc/74/76/94/373747694.db2.gz SRKFFTOQEOIPAH-SNVBAGLBSA-N 1 0 295.364 1.937 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CC12CC[NH2+]CC2 ZINC000368374571 373832730 /nfs/dbraw/zinc/83/27/30/373832730.db2.gz IOVRGBNQMLVAQY-ZDUSSCGKSA-N 1 0 289.335 1.396 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000368472844 373842440 /nfs/dbraw/zinc/84/24/40/373842440.db2.gz BGDJPRCTQULPHF-CQSZACIVSA-N 1 0 262.309 1.942 20 5 CDBDRO Cc1c(CC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000423624486 245943444 /nfs/dbraw/zinc/94/34/44/245943444.db2.gz PSJBTNUDUFVSLG-GWCFXTLKSA-N 1 0 291.351 1.702 20 5 CDBDRO CC[N@H+](CCCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000266559290 373986290 /nfs/dbraw/zinc/98/62/90/373986290.db2.gz MOPJIWVAZVYHNE-ZDUSSCGKSA-N 1 0 298.339 1.039 20 5 CDBDRO COc1ccc(CN2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000113516265 374261223 /nfs/dbraw/zinc/26/12/23/374261223.db2.gz RIQPXILEUVQFAY-CYBMUJFWSA-N 1 0 293.367 1.987 20 5 CDBDRO C[C@@H](CC(N)=O)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000161571720 374263948 /nfs/dbraw/zinc/26/39/48/374263948.db2.gz CHCGVWAVRJMTKP-ZETCQYMHSA-N 1 0 271.704 1.602 20 5 CDBDRO [NH3+][C@H](CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000312148799 374278580 /nfs/dbraw/zinc/27/85/80/374278580.db2.gz FSCKPQNCSNFJSX-LLPBQKLSSA-N 1 0 275.308 1.462 20 5 CDBDRO C[C@@H](C[C@H]1COCCN1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423017391 374368207 /nfs/dbraw/zinc/36/82/07/374368207.db2.gz WGORLJXDWQQPMO-JSGCOSHPSA-N 1 0 293.367 1.494 20 5 CDBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000423815052 246110838 /nfs/dbraw/zinc/11/08/38/246110838.db2.gz VOWNSPSKQLMVDJ-STQMWFEESA-N 1 0 291.351 1.908 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+](CCO)C2CC2)cc1 ZINC000079198468 374394616 /nfs/dbraw/zinc/39/46/16/374394616.db2.gz ILRAUGGIIWKKEU-UHFFFAOYSA-N 1 0 280.324 1.820 20 5 CDBDRO [NH3+][C@H]1CC[C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000423843892 246137108 /nfs/dbraw/zinc/13/71/08/246137108.db2.gz LBQFRDXNMQUJBP-WPRPVWTQSA-N 1 0 297.742 1.992 20 5 CDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)C1=CC[N@H+](C)CC1 ZINC000543754607 374440838 /nfs/dbraw/zinc/44/08/38/374440838.db2.gz UJXMHYUVDIHOGE-SNVBAGLBSA-N 1 0 292.339 1.314 20 5 CDBDRO Cc1c(CC(=O)N[C@H](C[NH3+])C(C)(C)C)cccc1[N+](=O)[O-] ZINC000423946195 246244027 /nfs/dbraw/zinc/24/40/27/246244027.db2.gz BZHXLQHYSHBWBK-CYBMUJFWSA-N 1 0 293.367 1.935 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@H]2C[C@H]21 ZINC001580544092 1172465680 /nfs/dbraw/zinc/46/56/80/1172465680.db2.gz ANQAUKTWITYAEK-QWHCGFSZSA-N 1 0 275.308 1.100 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000070172615 374653812 /nfs/dbraw/zinc/65/38/12/374653812.db2.gz PMMNVXQHCBIRHR-WCQYABFASA-N 1 0 291.351 1.723 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000070175908 374655688 /nfs/dbraw/zinc/65/56/88/374655688.db2.gz QGZOYSKTWIZJGA-MFKMUULPSA-N 1 0 277.324 1.794 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000070175906 374656292 /nfs/dbraw/zinc/65/62/92/374656292.db2.gz QGZOYSKTWIZJGA-ZWNOBZJWSA-N 1 0 277.324 1.794 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000070577326 374665891 /nfs/dbraw/zinc/66/58/91/374665891.db2.gz WOHQWWJBIJCCIJ-CHWSQXEVSA-N 1 0 291.351 1.771 20 5 CDBDRO COc1ccc(CNC(=O)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000299509973 374680594 /nfs/dbraw/zinc/68/05/94/374680594.db2.gz RRZXMKOAOJHKAE-UHFFFAOYSA-N 1 0 295.339 1.560 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCOC2)n1 ZINC000447573501 374704277 /nfs/dbraw/zinc/70/42/77/374704277.db2.gz HUKLMNYVYWUYJQ-GRYCIOLGSA-N 1 0 280.328 1.654 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000277646047 374799110 /nfs/dbraw/zinc/79/91/10/374799110.db2.gz UMRDSZBITOBVPI-LLVKDONJSA-N 1 0 293.323 1.427 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCN2CCCO)cc1 ZINC000449384668 374804505 /nfs/dbraw/zinc/80/45/05/374804505.db2.gz CFYKRLQSKRZCSZ-OAHLLOKOSA-N 1 0 293.367 1.531 20 5 CDBDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000449460695 374812563 /nfs/dbraw/zinc/81/25/63/374812563.db2.gz RQRLQOYAVFPUJA-GXTWGEPZSA-N 1 0 280.324 1.736 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000277253204 374780634 /nfs/dbraw/zinc/78/06/34/374780634.db2.gz KQHJWKZIIPKYKA-JTQLQIEISA-N 1 0 281.312 1.744 20 5 CDBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331017403 374881102 /nfs/dbraw/zinc/88/11/02/374881102.db2.gz VOUHVPAGMGBSGC-MNOVXSKESA-N 1 0 252.318 1.912 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000331232372 374911440 /nfs/dbraw/zinc/91/14/40/374911440.db2.gz AQHANNWUEAQKNO-NSHDSACASA-N 1 0 295.314 1.900 20 5 CDBDRO C[C@@]1(C(N)=O)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000280490640 374998398 /nfs/dbraw/zinc/99/83/98/374998398.db2.gz BFUZUXZLXALRMR-CQSZACIVSA-N 1 0 293.323 1.171 20 5 CDBDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000279890108 374971974 /nfs/dbraw/zinc/97/19/74/374971974.db2.gz VEFCSUYCVDFVQN-UHFFFAOYSA-N 1 0 298.364 1.652 20 5 CDBDRO CC(C)[N@H+](C)CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332729188 375047447 /nfs/dbraw/zinc/04/74/47/375047447.db2.gz QXEPNHGCVRMVQO-UHFFFAOYSA-N 1 0 292.339 1.215 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000131707699 375323800 /nfs/dbraw/zinc/32/38/00/375323800.db2.gz RLUARGDDCSJJHK-QWRGUYRKSA-N 1 0 292.339 1.202 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN(C)CCOCC[NH3+] ZINC000600732760 375368613 /nfs/dbraw/zinc/36/86/13/375368613.db2.gz FLPWXEVFQOESOW-UHFFFAOYSA-N 1 0 283.328 1.011 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000131879054 375371924 /nfs/dbraw/zinc/37/19/24/375371924.db2.gz PHJKBDQIRPPUPP-WDEREUQCSA-N 1 0 277.324 1.713 20 5 CDBDRO C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000293937497 375439244 /nfs/dbraw/zinc/43/92/44/375439244.db2.gz IPSIGOCIFIZTSE-TXEJJXNPSA-N 1 0 291.351 1.688 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)NC1CC1 ZINC000344845413 375564922 /nfs/dbraw/zinc/56/49/22/375564922.db2.gz IJKVHBQAJDGZJM-XFFZJAGNSA-N 1 0 289.335 1.866 20 5 CDBDRO C[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000228393074 375756265 /nfs/dbraw/zinc/75/62/65/375756265.db2.gz ACKIDYAFXOBOEU-MFKMUULPSA-N 1 0 277.324 1.333 20 5 CDBDRO CCC[C@H]([NH2+]C(C)C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000355024561 375767743 /nfs/dbraw/zinc/76/77/43/375767743.db2.gz WXSWTDZVXHCLBW-LBPRGKRZSA-N 1 0 297.359 1.074 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000133657301 375810418 /nfs/dbraw/zinc/81/04/18/375810418.db2.gz SXHNCJROMQBSBZ-SECBINFHSA-N 1 0 296.302 1.140 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCN2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357086334 375883902 /nfs/dbraw/zinc/88/39/02/375883902.db2.gz UZKDORMDUDRVGR-OLZOCXBDSA-N 1 0 291.351 1.515 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@H+]1CC=CCC1 ZINC000357681721 375926776 /nfs/dbraw/zinc/92/67/76/375926776.db2.gz BDMHHOVGELUXOO-UHFFFAOYSA-N 1 0 279.344 1.793 20 5 CDBDRO COc1cc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)ccn1 ZINC000347537312 376365782 /nfs/dbraw/zinc/36/57/82/376365782.db2.gz JXFUNMCEDDEJBY-SNVBAGLBSA-N 1 0 291.311 1.546 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435238037 248160197 /nfs/dbraw/zinc/16/01/97/248160197.db2.gz PGBAYSVWJSPLCW-CYBMUJFWSA-N 1 0 289.335 1.870 20 5 CDBDRO C[NH+](C)C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000267070478 376804671 /nfs/dbraw/zinc/80/46/71/376804671.db2.gz VTPHGSZYSFQVSN-ZDUSSCGKSA-N 1 0 297.330 1.496 20 5 CDBDRO COCC[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000172070143 377240833 /nfs/dbraw/zinc/24/08/33/377240833.db2.gz REUVZUMTDYWHEC-CYBMUJFWSA-N 1 0 268.313 1.472 20 5 CDBDRO Cc1sc(C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000172210154 377359195 /nfs/dbraw/zinc/35/91/95/377359195.db2.gz FUTOJTJRJUJGHE-SNVBAGLBSA-N 1 0 297.380 1.988 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC2)c1 ZINC000172259014 377397177 /nfs/dbraw/zinc/39/71/77/377397177.db2.gz UGSXIWBULSHRBU-LLVKDONJSA-N 1 0 252.270 1.040 20 5 CDBDRO C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000266863369 378071052 /nfs/dbraw/zinc/07/10/52/378071052.db2.gz LSMWYUAZLUDMPW-STQMWFEESA-N 1 0 293.367 1.966 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000441624155 249893610 /nfs/dbraw/zinc/89/36/10/249893610.db2.gz JGECHKAYJGJOGD-SNVBAGLBSA-N 1 0 281.312 1.075 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1N1CCOC2(CC[NH2+]CC2)C1 ZINC001580874615 1172557297 /nfs/dbraw/zinc/55/72/97/1172557297.db2.gz FVKQGHGEXLBBRV-UHFFFAOYSA-N 1 0 295.314 1.693 20 5 CDBDRO C[NH+]1CCC(NC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000174020418 379359153 /nfs/dbraw/zinc/35/91/53/379359153.db2.gz RCQVPFSXSBOJMX-UHFFFAOYSA-N 1 0 292.339 1.217 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@]2(CCO)CCOC2)cc1 ZINC000278536096 285115721 /nfs/dbraw/zinc/11/57/21/285115721.db2.gz WEGGKFHTHIJJOX-ZDUSSCGKSA-N 1 0 266.297 1.226 20 5 CDBDRO CC[NH+](CC)CC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000288483783 197091851 /nfs/dbraw/zinc/09/18/51/197091851.db2.gz VPXZLWYUMVTKFS-UHFFFAOYSA-N 1 0 293.367 1.938 20 5 CDBDRO C[NH+](C)CC1(NC(=O)c2cc([N+](=O)[O-])ccc2N)CCC1 ZINC000281664249 195327675 /nfs/dbraw/zinc/32/76/75/195327675.db2.gz JDMKIZXGYWTYSO-UHFFFAOYSA-N 1 0 292.339 1.391 20 5 CDBDRO CN(CCC[NH+]1CCCC1)c1ncc([N+](=O)[O-])s1 ZINC000281804990 195388787 /nfs/dbraw/zinc/38/87/87/195388787.db2.gz GMXUMKSDOVFEMR-UHFFFAOYSA-N 1 0 270.358 1.973 20 5 CDBDRO C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@H](C(N)=O)C1 ZINC000187386161 390548006 /nfs/dbraw/zinc/54/80/06/390548006.db2.gz UUKQDYICFNQTDR-MFKMUULPSA-N 1 0 277.324 1.681 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@@H]21 ZINC000450780749 390552622 /nfs/dbraw/zinc/55/26/22/390552622.db2.gz RIBMEYMSLXRHON-MFKMUULPSA-N 1 0 299.334 1.678 20 5 CDBDRO COC[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000452047326 390663761 /nfs/dbraw/zinc/66/37/61/390663761.db2.gz ZSYGHAGJKAUNEE-NSHDSACASA-N 1 0 268.317 1.292 20 5 CDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCCO ZINC000494452875 390603659 /nfs/dbraw/zinc/60/36/59/390603659.db2.gz OYKLZHRELUJRGX-LLVKDONJSA-N 1 0 295.339 1.674 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000186778328 391019213 /nfs/dbraw/zinc/01/92/13/391019213.db2.gz VIQMXMYVZKBCFF-KCJUWKMLSA-N 1 0 297.742 1.976 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000122303227 391043411 /nfs/dbraw/zinc/04/34/11/391043411.db2.gz YAQMCGSWVHFLQO-SNVBAGLBSA-N 1 0 283.715 1.812 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000415510531 391165552 /nfs/dbraw/zinc/16/55/52/391165552.db2.gz ZFMAVMYQWJSAAU-JTQLQIEISA-N 1 0 278.312 1.729 20 5 CDBDRO [NH3+]C[C@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CCCO1 ZINC000415116541 391259983 /nfs/dbraw/zinc/25/99/83/391259983.db2.gz VYKILSYZPBDJGP-XSHSDMCLSA-N 1 0 291.351 1.658 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000520217563 391251932 /nfs/dbraw/zinc/25/19/32/391251932.db2.gz YOCNXGBFZBFVQE-GXFFZTMASA-N 1 0 292.339 1.100 20 5 CDBDRO Cc1cc(NC(=O)NCC(C)(C)[NH3+])ccc1[N+](=O)[O-] ZINC000415415394 391405956 /nfs/dbraw/zinc/40/59/56/391405956.db2.gz IAGWJALZPUSKJM-UHFFFAOYSA-N 1 0 266.301 1.762 20 5 CDBDRO Cc1cc(NC(=O)NC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000415412722 391406551 /nfs/dbraw/zinc/40/65/51/391406551.db2.gz CNHBBYDKMMMALK-LLVKDONJSA-N 1 0 278.312 1.777 20 5 CDBDRO COc1ccc(NC(=O)N[C@@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000415440279 391431892 /nfs/dbraw/zinc/43/18/92/391431892.db2.gz NXSSJVRYCQSQQL-QMMMGPOBSA-N 1 0 282.300 1.462 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415636079 391470188 /nfs/dbraw/zinc/47/01/88/391470188.db2.gz WMAQFRAYKAAVRJ-SNVBAGLBSA-N 1 0 296.302 1.950 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000415733195 391471235 /nfs/dbraw/zinc/47/12/35/391471235.db2.gz AXYRDDHGKKLGMM-SNVBAGLBSA-N 1 0 278.312 1.641 20 5 CDBDRO C[C@@H]1[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343480455 391634263 /nfs/dbraw/zinc/63/42/63/391634263.db2.gz RHZVHTGSZSBHMZ-KOLCDFICSA-N 1 0 292.339 1.588 20 5 CDBDRO CCCC[C@H](C[NH3+])NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000150239533 391683281 /nfs/dbraw/zinc/68/32/81/391683281.db2.gz PZTJGYGTVWNAFM-GFCCVEGCSA-N 1 0 279.340 1.771 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000189310264 129951164 /nfs/dbraw/zinc/95/11/64/129951164.db2.gz WORUGPVUUGBPTL-GWCFXTLKSA-N 1 0 277.324 1.394 20 5 CDBDRO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000190881299 130157714 /nfs/dbraw/zinc/15/77/14/130157714.db2.gz MJCFEMCUGDSDJB-YPMHNXCESA-N 1 0 264.325 1.698 20 5 CDBDRO C[NH+](C)C1(CNc2cc(N)ccc2[N+](=O)[O-])CCOCC1 ZINC000192793838 130548206 /nfs/dbraw/zinc/54/82/06/130548206.db2.gz FWPYJHTWILFXLC-UHFFFAOYSA-N 1 0 294.355 1.700 20 5 CDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH3+] ZINC000237356479 131025765 /nfs/dbraw/zinc/02/57/65/131025765.db2.gz VEPZMTBYQVJXFE-MRVPVSSYSA-N 1 0 269.326 1.150 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCC[NH2+]C1 ZINC000237812822 131059272 /nfs/dbraw/zinc/05/92/72/131059272.db2.gz QNQOJJIEWLYMHM-JTQLQIEISA-N 1 0 297.742 1.659 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000238029550 131074088 /nfs/dbraw/zinc/07/40/88/131074088.db2.gz XUCVIXAHKHVNJE-WDEREUQCSA-N 1 0 292.339 1.250 20 5 CDBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000245767093 131088618 /nfs/dbraw/zinc/08/86/18/131088618.db2.gz JQKURKJZMLVDDN-GXSJLCMTSA-N 1 0 295.339 1.543 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000261554672 131152000 /nfs/dbraw/zinc/15/20/00/131152000.db2.gz BAXBWTXTCGQRGQ-SSDOTTSWSA-N 1 0 271.704 1.586 20 5 CDBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000262644968 131246272 /nfs/dbraw/zinc/24/62/72/131246272.db2.gz UTMJPXMNNZKEHJ-AWEZNQCLSA-N 1 0 294.355 1.670 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@H]1C ZINC000262701846 131252660 /nfs/dbraw/zinc/25/26/60/131252660.db2.gz AVYLCYVMJPKSOT-SFYZADRCSA-N 1 0 269.326 1.479 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000262818650 131264866 /nfs/dbraw/zinc/26/48/66/131264866.db2.gz SDWKOGXBYDWYPB-MNOVXSKESA-N 1 0 293.323 1.182 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000262900849 131272041 /nfs/dbraw/zinc/27/20/41/131272041.db2.gz XQSKKLXZHLLROE-GWCFXTLKSA-N 1 0 277.324 1.631 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)nc1 ZINC000263676157 131306154 /nfs/dbraw/zinc/30/61/54/131306154.db2.gz HGXKKQIWYJSYGP-GFCCVEGCSA-N 1 0 292.339 1.148 20 5 CDBDRO CN(Cc1c([N+](=O)[O-])ncn1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442772142 392493606 /nfs/dbraw/zinc/49/36/06/392493606.db2.gz ALAMHHXUNHWOGB-ZACCUICWSA-N 1 0 279.344 1.043 20 5 CDBDRO CC(=O)c1cc(NCCCC[NH3+])ccc1[N+](=O)[O-] ZINC000420228807 392909013 /nfs/dbraw/zinc/90/90/13/392909013.db2.gz FUINTPJSUOPOOI-UHFFFAOYSA-N 1 0 251.286 1.948 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000420232228 392909981 /nfs/dbraw/zinc/90/99/81/392909981.db2.gz BOBJWWFLPJHHND-YUMQZZPRSA-N 1 0 254.265 1.811 20 5 CDBDRO C[NH2+]CCNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417723622 392873198 /nfs/dbraw/zinc/87/31/98/392873198.db2.gz XAIRRESRCFHCQR-UHFFFAOYSA-N 1 0 294.355 1.436 20 5 CDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000525803813 392938138 /nfs/dbraw/zinc/93/81/38/392938138.db2.gz OQSAPSFHDSZRDV-VIFPVBQESA-N 1 0 283.353 1.728 20 5 CDBDRO C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000269196231 132129206 /nfs/dbraw/zinc/12/92/06/132129206.db2.gz LNHPDTMCIAZHTL-GXSJLCMTSA-N 1 0 292.339 1.295 20 5 CDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423054402 392958310 /nfs/dbraw/zinc/95/83/10/392958310.db2.gz BUKYEVVUTBENAE-RISCZKNCSA-N 1 0 275.308 1.006 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000194870791 392979919 /nfs/dbraw/zinc/97/99/19/392979919.db2.gz BPBINGRQCVCFOL-SNVBAGLBSA-N 1 0 292.339 1.272 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000194916346 393012708 /nfs/dbraw/zinc/01/27/08/393012708.db2.gz NODZRZXJZJTTJL-SNVBAGLBSA-N 1 0 280.328 1.250 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000430213208 393093548 /nfs/dbraw/zinc/09/35/48/393093548.db2.gz SAWZWQVWGBBDAS-MFKMUULPSA-N 1 0 280.324 1.806 20 5 CDBDRO C[NH2+][C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430619275 393103007 /nfs/dbraw/zinc/10/30/07/393103007.db2.gz AXHAEGBKBLGUOH-LLVKDONJSA-N 1 0 265.313 1.267 20 5 CDBDRO CC(C)[N@@H+]1CCCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000282033633 393170036 /nfs/dbraw/zinc/17/00/36/393170036.db2.gz WSIKCCAXLQADMR-UHFFFAOYSA-N 1 0 270.358 1.972 20 5 CDBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000133253095 393173451 /nfs/dbraw/zinc/17/34/51/393173451.db2.gz FVDRJAMSGVROBH-ZDUSSCGKSA-N 1 0 295.314 1.804 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC1 ZINC000449196221 393131589 /nfs/dbraw/zinc/13/15/89/393131589.db2.gz WXXHJABZYPKJTF-JQWIXIFHSA-N 1 0 250.298 1.904 20 5 CDBDRO CC(C)(O)CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000330896660 393146060 /nfs/dbraw/zinc/14/60/60/393146060.db2.gz NKRDFXZSJRQYHI-LLVKDONJSA-N 1 0 294.355 1.637 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCn3ccnc3C2)cs1 ZINC000494392961 393231796 /nfs/dbraw/zinc/23/17/96/393231796.db2.gz QLPAQDXFJWWVCG-JTQLQIEISA-N 1 0 278.337 1.957 20 5 CDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000193551089 393373462 /nfs/dbraw/zinc/37/34/62/393373462.db2.gz LJSLGOKHKKYDIK-VIFPVBQESA-N 1 0 283.353 1.728 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000132015363 139848189 /nfs/dbraw/zinc/84/81/89/139848189.db2.gz OHNWIEJQHWKZQS-HTQZYQBOSA-N 1 0 269.326 1.466 20 5 CDBDRO C[NH+]1CCC(CNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000194940236 140150060 /nfs/dbraw/zinc/15/00/60/140150060.db2.gz BCHRXQZUNLFPFM-UHFFFAOYSA-N 1 0 283.353 1.728 20 5 CDBDRO Cc1ccc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000221448535 140170326 /nfs/dbraw/zinc/17/03/26/140170326.db2.gz JEEWJOTYOKBKTK-GXTWGEPZSA-N 1 0 289.335 1.727 20 5 CDBDRO [NH3+]C1(CNC(=O)c2csc([N+](=O)[O-])c2)CCC1 ZINC000230064194 140206868 /nfs/dbraw/zinc/20/68/68/140206868.db2.gz VQCBKLUGIUZTJG-UHFFFAOYSA-N 1 0 255.299 1.268 20 5 CDBDRO COc1ccc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000261604215 140362226 /nfs/dbraw/zinc/36/22/26/140362226.db2.gz CLWCSGLFQQCJLM-CHWSQXEVSA-N 1 0 291.351 1.787 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000261646411 140368660 /nfs/dbraw/zinc/36/86/60/140368660.db2.gz JEUZSQVZNBKBGF-KKFJDGPESA-N 1 0 295.314 1.850 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH2+]C[C@H]1C ZINC000261712986 140378447 /nfs/dbraw/zinc/37/84/47/140378447.db2.gz DXSWAFQFDXMQKC-LLVKDONJSA-N 1 0 292.339 1.135 20 5 CDBDRO COC[C@@]1(CNc2ncc(C)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261743473 140383557 /nfs/dbraw/zinc/38/35/57/140383557.db2.gz MCKCSSPVUZFYQH-ZDUSSCGKSA-N 1 0 280.328 1.479 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261798972 140390227 /nfs/dbraw/zinc/39/02/27/140390227.db2.gz YNIWJGJDSLXOJZ-MFKMUULPSA-N 1 0 290.323 1.811 20 5 CDBDRO C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000135221857 397910059 /nfs/dbraw/zinc/91/00/59/397910059.db2.gz XLTFHRUUUMWMND-ZJUUUORDSA-N 1 0 295.314 1.852 20 5 CDBDRO Cc1ccc(NC(=O)C[C@@H]2CSCC[NH2+]2)cc1[N+](=O)[O-] ZINC000091134177 146971173 /nfs/dbraw/zinc/97/11/73/146971173.db2.gz JXJCYKQBODVAGX-LLVKDONJSA-N 1 0 295.364 1.937 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[NH3+] ZINC000178696543 148076589 /nfs/dbraw/zinc/07/65/89/148076589.db2.gz SWHNCXYMKGQKFA-QMMMGPOBSA-N 1 0 267.285 1.071 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[C@H](C)[NH3+] ZINC000415504165 286249579 /nfs/dbraw/zinc/24/95/79/286249579.db2.gz OZXRSRZTFSFKGV-QMMMGPOBSA-N 1 0 282.300 1.462 20 5 CDBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000342997427 151988029 /nfs/dbraw/zinc/98/80/29/151988029.db2.gz FUALUFYEVRZOJS-BXUZGUMPSA-N 1 0 291.351 1.451 20 5 CDBDRO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CCC[N@@H+]1C ZINC000343449081 152181387 /nfs/dbraw/zinc/18/13/87/152181387.db2.gz OBJMMMQSGGAETI-NXEZZACHSA-N 1 0 280.328 1.146 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000344029755 152395429 /nfs/dbraw/zinc/39/54/29/152395429.db2.gz AQXXZZHEPKAXEV-GXTWGEPZSA-N 1 0 294.355 1.274 20 5 CDBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000349243389 154074007 /nfs/dbraw/zinc/07/40/07/154074007.db2.gz BWETXKMRWGIZLX-VHSXEESVSA-N 1 0 295.339 1.908 20 5 CDBDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000350326129 154365195 /nfs/dbraw/zinc/36/51/95/154365195.db2.gz ZLNVVWQXNTUHSQ-CQSZACIVSA-N 1 0 296.323 1.653 20 5 CDBDRO CC[N@H+](C[C@@H](C)O)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000352230841 155042659 /nfs/dbraw/zinc/04/26/59/155042659.db2.gz MLBXSSDAYIXIAO-MNOVXSKESA-N 1 0 295.339 1.625 20 5 CDBDRO CCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cn1 ZINC000352314063 155089628 /nfs/dbraw/zinc/08/96/28/155089628.db2.gz IDRYYCDOZPSCPZ-UHFFFAOYSA-N 1 0 252.318 1.556 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000358913465 158070036 /nfs/dbraw/zinc/07/00/36/158070036.db2.gz DTSBFOJQEMLIMF-LBPRGKRZSA-N 1 0 295.387 1.896 20 5 CDBDRO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000362072343 159059783 /nfs/dbraw/zinc/05/97/83/159059783.db2.gz MJCFEMCUGDSDJB-WCQYABFASA-N 1 0 264.325 1.698 20 5 CDBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000362595462 159189721 /nfs/dbraw/zinc/18/97/21/159189721.db2.gz CYVZXZIQJAKPAY-BXUZGUMPSA-N 1 0 291.351 1.451 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[C@H]1[NH+](C)C ZINC000362681012 159212122 /nfs/dbraw/zinc/21/21/22/159212122.db2.gz LZMSYYPCQZGCIY-DTWKUNHWSA-N 1 0 253.306 1.223 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3c[nH]nc3C2)cc1 ZINC000374544255 160294638 /nfs/dbraw/zinc/29/46/38/160294638.db2.gz DYSRRXXINDKHRS-LBPRGKRZSA-N 1 0 272.308 1.965 20 5 CDBDRO C[NH+](C)CCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000018174995 170745250 /nfs/dbraw/zinc/74/52/50/170745250.db2.gz GDYXMOAKWLSBLM-UHFFFAOYSA-N 1 0 266.301 1.668 20 5 CDBDRO C[C@H]([NH2+]CC1(C)OCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284963178 196165768 /nfs/dbraw/zinc/16/57/68/196165768.db2.gz FMRDFSSBODOTGU-VIFPVBQESA-N 1 0 281.312 1.591 20 5 CDBDRO C[C@H](CC[S@@](C)=O)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285356298 196259982 /nfs/dbraw/zinc/25/99/82/196259982.db2.gz VKXJPHORTFYTDO-ZJNREGCTSA-N 1 0 299.396 1.985 20 5 CDBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C ZINC000037505148 173240516 /nfs/dbraw/zinc/24/05/16/173240516.db2.gz MDVNVCIAXPTOON-SECBINFHSA-N 1 0 251.286 1.161 20 5 CDBDRO CC[NH+](CC)C[C@H](C)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000041677284 174603019 /nfs/dbraw/zinc/60/30/19/174603019.db2.gz YBRVOPJWOLKYPA-VIFPVBQESA-N 1 0 269.349 1.779 20 5 CDBDRO Cc1ccc(C(=O)NC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000044501760 175185731 /nfs/dbraw/zinc/18/57/31/175185731.db2.gz CCDLELZSIATOFS-LLVKDONJSA-N 1 0 277.324 1.633 20 5 CDBDRO CNC(=O)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000044988719 175285418 /nfs/dbraw/zinc/28/54/18/175285418.db2.gz GBOAEBSXJKTGLZ-SNVBAGLBSA-N 1 0 265.313 1.690 20 5 CDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000069847265 175858105 /nfs/dbraw/zinc/85/81/05/175858105.db2.gz MYDFHETVNOUFHN-LLVKDONJSA-N 1 0 296.346 1.782 20 5 CDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[NH2+]C1 ZINC000071312409 176119230 /nfs/dbraw/zinc/11/92/30/176119230.db2.gz DNFWGKPDKSUVSM-SNVBAGLBSA-N 1 0 281.287 1.558 20 5 CDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[NH2+]C1 ZINC000071397153 176150939 /nfs/dbraw/zinc/15/09/39/176150939.db2.gz FTTFKRWVRGWAPJ-ZCRIDZFUSA-N 1 0 275.308 1.476 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000313319998 260283232 /nfs/dbraw/zinc/28/32/32/260283232.db2.gz CUDKGASGIWHMML-XKGZQEJFSA-N 1 0 289.335 1.804 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000261638995 274309240 /nfs/dbraw/zinc/30/92/40/274309240.db2.gz WTLNHGLTBYXINI-SOCHQFKDSA-N 1 0 283.353 1.773 20 5 CDBDRO CC(C)(CC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000397345092 270348633 /nfs/dbraw/zinc/34/86/33/270348633.db2.gz FCINCNJJQXAGLY-UHFFFAOYSA-N 1 0 287.341 1.001 20 5 CDBDRO CC(C)(CC[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000397367430 270349373 /nfs/dbraw/zinc/34/93/73/270349373.db2.gz KGVNCOFERCXTOM-UHFFFAOYSA-N 1 0 287.341 1.001 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000521626810 270557752 /nfs/dbraw/zinc/55/77/52/270557752.db2.gz LYYPCGOKIJGIRN-QMMMGPOBSA-N 1 0 295.295 1.181 20 5 CDBDRO CC(C)([NH3+])CNc1ncc([N+](=O)[O-])cc1Br ZINC000131830329 273506414 /nfs/dbraw/zinc/50/64/14/273506414.db2.gz NPVHDKVEBOKPKN-UHFFFAOYSA-N 1 0 289.133 1.902 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000261873580 274611163 /nfs/dbraw/zinc/61/11/63/274611163.db2.gz ZJHLIADNKYRXQD-YUMQZZPRSA-N 1 0 293.352 1.773 20 5 CDBDRO Cc1cc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000261582183 274711715 /nfs/dbraw/zinc/71/17/15/274711715.db2.gz GOOUMOXPXZCECN-GHMZBOCLSA-N 1 0 262.313 1.486 20 5 CDBDRO Cc1cnc(NC2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000090691882 274826991 /nfs/dbraw/zinc/82/69/91/274826991.db2.gz DXQXTXFNCYENNL-UHFFFAOYSA-N 1 0 250.302 1.980 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC[NH2+]CC2)c(Cl)c1 ZINC000082566854 275040876 /nfs/dbraw/zinc/04/08/76/275040876.db2.gz TUSRGMCRECWISC-UHFFFAOYSA-N 1 0 256.693 1.443 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000358944920 276270383 /nfs/dbraw/zinc/27/03/83/276270383.db2.gz PWZJDSLDUPVUTA-SNVBAGLBSA-N 1 0 265.313 1.631 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000123587521 277278766 /nfs/dbraw/zinc/27/87/66/277278766.db2.gz SIRAHBJUQGQJTN-AWEZNQCLSA-N 1 0 263.341 1.821 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000237227343 277283966 /nfs/dbraw/zinc/28/39/66/277283966.db2.gz AMUORKVWDPSHAI-LLVKDONJSA-N 1 0 292.339 1.217 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000063192392 278227585 /nfs/dbraw/zinc/22/75/85/278227585.db2.gz FXPJOUQCLOTRSU-WPRPVWTQSA-N 1 0 283.353 1.998 20 5 CDBDRO Cc1nn(C)c(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000376261176 279199846 /nfs/dbraw/zinc/19/98/46/279199846.db2.gz XYYGASOXOVASEC-CMPLNLGQSA-N 1 0 293.371 1.700 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000104260996 279295533 /nfs/dbraw/zinc/29/55/33/279295533.db2.gz MCEHROWISCOHAZ-ZHRWSRJISA-N 1 0 275.308 1.558 20 5 CDBDRO [NH3+]C[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CCO1 ZINC000165797320 279657372 /nfs/dbraw/zinc/65/73/72/279657372.db2.gz QTGOZDDKPCWBEV-JTQLQIEISA-N 1 0 288.307 1.307 20 5 CDBDRO C[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000261581081 279878616 /nfs/dbraw/zinc/87/86/16/279878616.db2.gz QJWNEIREQGAYTE-WCBMZHEXSA-N 1 0 253.277 1.907 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000214395811 280087371 /nfs/dbraw/zinc/08/73/71/280087371.db2.gz WHIXRVWWDITGFC-ZHRWSRJISA-N 1 0 289.335 1.676 20 5 CDBDRO C[NH2+]CCN(C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000216703889 280088059 /nfs/dbraw/zinc/08/80/59/280088059.db2.gz YOXRDRSKJDQXNR-SREVYHEPSA-N 1 0 263.297 1.286 20 5 CDBDRO [NH3+]CC1(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000216266803 280088123 /nfs/dbraw/zinc/08/81/23/280088123.db2.gz CNEJCCVQFXDUBE-SREVYHEPSA-N 1 0 289.335 1.996 20 5 CDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000217461560 280088942 /nfs/dbraw/zinc/08/89/42/280088942.db2.gz XGBRDYSBQVOWSP-DMTLFAOVSA-N 1 0 289.335 1.724 20 5 CDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000218334136 280090719 /nfs/dbraw/zinc/09/07/19/280090719.db2.gz ZIFXTEBMQHFTAM-SIDSAAMKSA-N 1 0 287.319 1.286 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000220678133 280092769 /nfs/dbraw/zinc/09/27/69/280092769.db2.gz PZEIOTDFVNXOOX-GFCCVEGCSA-N 1 0 280.324 1.990 20 5 CDBDRO C[C@](C[NH3+])(NC(=O)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000127272065 280139519 /nfs/dbraw/zinc/13/95/19/280139519.db2.gz UEGSIEWRBUIGQL-CQSZACIVSA-N 1 0 277.324 1.381 20 5 CDBDRO C[C@H](O)CC[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246743446 280301800 /nfs/dbraw/zinc/30/18/00/280301800.db2.gz OIPHJRQRNDDVMZ-WCQYABFASA-N 1 0 298.339 1.037 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCCNC2)n1 ZINC000423189163 280377172 /nfs/dbraw/zinc/37/71/72/280377172.db2.gz MRLYJRRUBZJRKM-JHJVBQTASA-N 1 0 293.371 1.617 20 5 CDBDRO C[C@H]([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269093265 280548333 /nfs/dbraw/zinc/54/83/33/280548333.db2.gz LLKXEZVSDYYKCY-LURJTMIESA-N 1 0 257.677 1.212 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261599393 280665339 /nfs/dbraw/zinc/66/53/39/280665339.db2.gz PNTXMNJBKFQZIB-WDEREUQCSA-N 1 0 262.313 1.344 20 5 CDBDRO CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1(C[NH3+])CCC1 ZINC000395402276 280692183 /nfs/dbraw/zinc/69/21/83/280692183.db2.gz SOGCJMYQSAMERQ-VMPITWQZSA-N 1 0 289.335 1.948 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@H](C)C[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000520815203 281055956 /nfs/dbraw/zinc/05/59/56/281055956.db2.gz BFTCFEAQEGJFPY-JGVFFNPUSA-N 1 0 283.332 1.126 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000261877956 288320153 /nfs/dbraw/zinc/32/01/53/288320153.db2.gz TWGWXMYIXGRGLH-SSDOTTSWSA-N 1 0 256.693 1.441 20 5 CDBDRO Cc1ccnc(N2CC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000301245918 281461310 /nfs/dbraw/zinc/46/13/10/281461310.db2.gz ASZHVEFPPBDEEM-GFCCVEGCSA-N 1 0 276.340 1.973 20 5 CDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1c([N+](=O)[O-])ncn1C ZINC000375754307 288519115 /nfs/dbraw/zinc/51/91/15/288519115.db2.gz NRVIMSBYRCXXFV-VXGBXAGGSA-N 1 0 293.371 1.387 20 5 CDBDRO CN1C[C@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000555878764 290242583 /nfs/dbraw/zinc/24/25/83/290242583.db2.gz MCWCZSULCCULKD-CQSZACIVSA-N 1 0 291.351 1.690 20 5 CDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCn3ccnc32)cc1 ZINC000556423921 290267734 /nfs/dbraw/zinc/26/77/34/290267734.db2.gz NEDXVJKSOGETMC-CYBMUJFWSA-N 1 0 288.307 1.905 20 5 CDBDRO [NH3+]C[C@H](Cn1cnc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000563080846 293266463 /nfs/dbraw/zinc/26/64/63/293266463.db2.gz HQCXOUQPLAOSEC-SNVBAGLBSA-N 1 0 264.260 1.673 20 5 CDBDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568768120 294099526 /nfs/dbraw/zinc/09/95/26/294099526.db2.gz GWHNWTUVLSXPGX-GZBFAFLISA-N 1 0 292.335 1.976 20 5 CDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000569262167 294182894 /nfs/dbraw/zinc/18/28/94/294182894.db2.gz ZPOZQUCMIJDDPM-JTQLQIEISA-N 1 0 295.343 1.122 20 5 CDBDRO Cn1cnc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000571345197 294417432 /nfs/dbraw/zinc/41/74/32/294417432.db2.gz ORZKJMBNWXHUHA-GFCCVEGCSA-N 1 0 287.323 1.543 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC(C)(C)C[NH3+] ZINC000574911560 295075297 /nfs/dbraw/zinc/07/52/97/295075297.db2.gz KZZDSGTYTTVWPW-UHFFFAOYSA-N 1 0 267.285 1.071 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000237242366 295254033 /nfs/dbraw/zinc/25/40/33/295254033.db2.gz ZDTXCNKQBRENEW-SKDRFNHKSA-N 1 0 293.323 1.461 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261738805 295254537 /nfs/dbraw/zinc/25/45/37/295254537.db2.gz LVHYNPXAINUEBG-ZYHUDNBSSA-N 1 0 277.324 1.792 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000216003812 302038790 /nfs/dbraw/zinc/03/87/90/302038790.db2.gz ZUMAOWGILPHHED-WDEREUQCSA-N 1 0 277.324 1.713 20 5 CDBDRO CC/C=C/C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000563529891 316325335 /nfs/dbraw/zinc/32/53/35/316325335.db2.gz KCSSHNPSZLCBJK-OOPCZODUSA-N 1 0 280.324 1.890 20 5 CDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000564208442 316434262 /nfs/dbraw/zinc/43/42/62/316434262.db2.gz HGBHGYPOPWTKBN-UHFFFAOYSA-N 1 0 293.323 1.089 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000576929285 317231682 /nfs/dbraw/zinc/23/16/82/317231682.db2.gz JJSVFQOJIDXGRY-GFCCVEGCSA-N 1 0 276.340 1.816 20 5 CDBDRO Cc1nn(C)c(N2CCC([C@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000577489458 317339661 /nfs/dbraw/zinc/33/96/61/317339661.db2.gz LRKKRLMASXRDKV-LBPRGKRZSA-N 1 0 293.371 1.463 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000387542553 323772649 /nfs/dbraw/zinc/77/26/49/323772649.db2.gz PLQBFZGNWFYLRE-SECBINFHSA-N 1 0 266.301 1.714 20 5 CDBDRO CNc1ccc(C(=O)N2CCC[C@@H]([NH2+]C)C2)cc1[N+](=O)[O-] ZINC000578625368 323980255 /nfs/dbraw/zinc/98/02/55/323980255.db2.gz OYXVLTJXOZUXER-LLVKDONJSA-N 1 0 292.339 1.461 20 5 CDBDRO CC[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)OC ZINC000578741800 324009724 /nfs/dbraw/zinc/00/97/24/324009724.db2.gz FRVWNYCXRIGRKP-OLZOCXBDSA-N 1 0 298.339 1.349 20 5 CDBDRO Nc1c(C(=O)N2CCC[C@H](C[NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC000581130641 324658356 /nfs/dbraw/zinc/65/83/56/324658356.db2.gz QMPYGUSOZIWEIL-MRVPVSSYSA-N 1 0 296.302 1.127 20 5 CDBDRO CC[C@H](COC)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000581998241 324878141 /nfs/dbraw/zinc/87/81/41/324878141.db2.gz AQVDQIAQEIWOIQ-VXGBXAGGSA-N 1 0 298.339 1.349 20 5 CDBDRO CC(C)[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000583199229 325125829 /nfs/dbraw/zinc/12/58/29/325125829.db2.gz DOQQFEYRNHKCKH-UHTWSYAYSA-N 1 0 282.344 1.034 20 5 CDBDRO COc1nc(SC)nc(-n2cccc2C[NH3+])c1[N+](=O)[O-] ZINC001167581767 1159133878 /nfs/dbraw/zinc/13/38/78/1159133878.db2.gz KEBQKIOQAJPDQB-UHFFFAOYSA-N 1 0 295.324 1.365 20 5 CDBDRO [NH3+]CCc1nccn1-c1ncc([N+](=O)[O-])cc1Cl ZINC000236288119 1159407067 /nfs/dbraw/zinc/40/70/67/1159407067.db2.gz LUATVXHYVBFLIB-UHFFFAOYSA-N 1 0 267.676 1.330 20 5 CDBDRO CCN(c1cc([N+](=O)[O-])ccn1)[C@@H]1CCC[NH2+]C1 ZINC000110947553 1159571937 /nfs/dbraw/zinc/57/19/37/1159571937.db2.gz MGBYYOCJUQTUSC-LLVKDONJSA-N 1 0 250.302 1.568 20 5 CDBDRO CC(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1(CO)CCC1 ZINC000339728601 519798986 /nfs/dbraw/zinc/79/89/86/519798986.db2.gz IIMFXYYYCKHCET-CYBMUJFWSA-N 1 0 296.371 1.568 20 5 CDBDRO COc1cc(C[N@H+](C)CC(C)(C)O)c([N+](=O)[O-])cc1F ZINC000184216737 522347904 /nfs/dbraw/zinc/34/79/04/522347904.db2.gz OACILUVQQHYTOT-UHFFFAOYSA-N 1 0 286.303 1.945 20 5 CDBDRO C[N@@H+]1CCC[C@]2(CCN(CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339431793 523856055 /nfs/dbraw/zinc/85/60/55/523856055.db2.gz VYSAMLCWYHBXJX-AWEZNQCLSA-N 1 0 293.371 1.209 20 5 CDBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246633963 524111334 /nfs/dbraw/zinc/11/13/34/524111334.db2.gz BIFXOMPCFCOMSN-ZYHUDNBSSA-N 1 0 268.317 1.027 20 5 CDBDRO C[C@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000164122911 525127214 /nfs/dbraw/zinc/12/72/14/525127214.db2.gz XWVFJAPESWOZDV-UWVGGRQHSA-N 1 0 277.324 1.628 20 5 CDBDRO C[C@H]([NH2+]C[C@H]1CC[C@H](CO)O1)c1ccc([N+](=O)[O-])cc1 ZINC000340416443 525420795 /nfs/dbraw/zinc/42/07/95/525420795.db2.gz NAOAHADTSKUEOK-ZLKJLUDKSA-N 1 0 280.324 1.785 20 5 CDBDRO Cc1c(C[NH2+][C@H](C)CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000049504671 525726875 /nfs/dbraw/zinc/72/68/75/525726875.db2.gz VYTLFBQEBXGZGI-GFCCVEGCSA-N 1 0 293.367 1.714 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000422809442 536467251 /nfs/dbraw/zinc/46/72/51/536467251.db2.gz PSUDCVUATIRYLT-GFCCVEGCSA-N 1 0 291.351 1.514 20 5 CDBDRO [NH3+]CCC1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000070187561 527168772 /nfs/dbraw/zinc/16/87/72/527168772.db2.gz BHHKFTKBINFHSS-UHFFFAOYSA-N 1 0 291.351 1.725 20 5 CDBDRO [NH3+]C[C@H](Nc1ncc([N+](=O)[O-])cn1)C1CCCC1 ZINC000236239773 527229322 /nfs/dbraw/zinc/22/93/22/527229322.db2.gz MFEDVOQYJCDDFG-JTQLQIEISA-N 1 0 251.290 1.314 20 5 CDBDRO CC(C)[N@@H+](C)C[C@@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000290605657 528828810 /nfs/dbraw/zinc/82/88/10/528828810.db2.gz FEXAFBOOYZNTBA-SECBINFHSA-N 1 0 255.322 1.469 20 5 CDBDRO CC(C)[N@H+](C)CCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342102683 535010425 /nfs/dbraw/zinc/01/04/25/535010425.db2.gz AEPLVESCKUGBIZ-UHFFFAOYSA-N 1 0 280.328 1.446 20 5 CDBDRO CCC[NH2+]CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417144814 535166068 /nfs/dbraw/zinc/16/60/68/535166068.db2.gz WIWBLMZRAMXQDS-NSHDSACASA-N 1 0 294.355 1.955 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261699229 535969120 /nfs/dbraw/zinc/96/91/20/535969120.db2.gz IJEDCRMQPLGICI-QWRGUYRKSA-N 1 0 279.344 1.165 20 5 CDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)[C@@H]2C1 ZINC000424117266 536488380 /nfs/dbraw/zinc/48/83/80/536488380.db2.gz YJWCTXGHDXBDBW-JOYOIKCWSA-N 1 0 278.312 1.089 20 5 CDBDRO COC[C@]1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCC[NH2+]1 ZINC000261758681 536684955 /nfs/dbraw/zinc/68/49/55/536684955.db2.gz NMIXFHJUSVDQQT-GFCCVEGCSA-N 1 0 299.352 1.155 20 5 CDBDRO COc1cc(C(=O)N2CC[NH2+][C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000262761285 536888356 /nfs/dbraw/zinc/88/83/56/536888356.db2.gz IMXOJZQKQSHYNU-NXEZZACHSA-N 1 0 293.323 1.426 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CC2)c1 ZINC000416302610 536949771 /nfs/dbraw/zinc/94/97/71/536949771.db2.gz PCDHQAPSERFYTO-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO CN(CC1CC[NH2+]CC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000094021991 1174458103 /nfs/dbraw/zinc/45/81/03/1174458103.db2.gz VKAZIFINGPOYGB-UHFFFAOYSA-N 1 0 277.324 1.666 20 5 CDBDRO O=[N+]([O-])c1ncccc1NCCC[NH+]1CCCC1 ZINC000159314460 545540772 /nfs/dbraw/zinc/54/07/72/545540772.db2.gz DPYHOBIRMDURAS-UHFFFAOYSA-N 1 0 250.302 1.888 20 5 CDBDRO CCCNC(=O)[C@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000105874310 1174708393 /nfs/dbraw/zinc/70/83/93/1174708393.db2.gz UPDIOMXNZFWKPX-GXFFZTMASA-N 1 0 295.339 1.133 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](CCO)C2CC2)cc1 ZINC000771794753 575611134 /nfs/dbraw/zinc/61/11/34/575611134.db2.gz IJZQRZLEMOEEGS-ZIAGYGMSSA-N 1 0 280.324 1.379 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CO)C1CC1 ZINC000771816490 575618840 /nfs/dbraw/zinc/61/88/40/575618840.db2.gz XTPOEQOACXLZCM-ZDUSSCGKSA-N 1 0 293.323 1.202 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](CCO)C2CC2)c1 ZINC000763046837 576703641 /nfs/dbraw/zinc/70/36/41/576703641.db2.gz CETQQAIDSYDCCH-AWEZNQCLSA-N 1 0 280.324 1.724 20 5 CDBDRO COC(C)(C)C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750095134 576975513 /nfs/dbraw/zinc/97/55/13/576975513.db2.gz UTFDKTPPAQARBQ-CYBMUJFWSA-N 1 0 282.340 1.985 20 5 CDBDRO CCC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2OC)CC1 ZINC000891479698 617432928 /nfs/dbraw/zinc/43/29/28/617432928.db2.gz MHXQTAACGYOSTC-UHFFFAOYSA-N 1 0 280.328 1.530 20 5 CDBDRO C[NH+](C)CC1(c2nc(CCC(C)(C)[N+](=O)[O-])no2)CC1 ZINC000924078694 617471672 /nfs/dbraw/zinc/47/16/72/617471672.db2.gz MMBSMUOIRKRAMC-UHFFFAOYSA-N 1 0 282.344 1.651 20 5 CDBDRO CC(=O)OC[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000892606625 617531785 /nfs/dbraw/zinc/53/17/85/617531785.db2.gz CVEJWEFAIPDCTD-SECBINFHSA-N 1 0 252.270 1.636 20 5 CDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000931044377 617588801 /nfs/dbraw/zinc/58/88/01/617588801.db2.gz APRWGLZBZLRDIA-SWLSCSKDSA-N 1 0 293.367 1.998 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=[NH2+])NC(C)C ZINC000848995970 617611218 /nfs/dbraw/zinc/61/12/18/617611218.db2.gz UBLSLNGDXXMNDQ-UHFFFAOYSA-N 1 0 266.301 1.626 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@H](C)[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000893069108 618124324 /nfs/dbraw/zinc/12/43/24/618124324.db2.gz BGMVRQNOBUILNP-MWLCHTKSSA-N 1 0 296.323 1.824 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000892420388 618174143 /nfs/dbraw/zinc/17/41/43/618174143.db2.gz QZJBYFOQRPXHAC-SNVBAGLBSA-N 1 0 265.317 1.225 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H]1C[NH3+] ZINC000818009374 618492630 /nfs/dbraw/zinc/49/26/30/618492630.db2.gz QNPALQVAIDLMDM-NXEZZACHSA-N 1 0 292.339 1.234 20 5 CDBDRO C[C@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000818011255 618493514 /nfs/dbraw/zinc/49/35/14/618493514.db2.gz XBXKMPICQZRLJK-ONGXEEELSA-N 1 0 292.339 1.234 20 5 CDBDRO C[C@@H](NC(=O)C(C)(C)[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000927775410 618660092 /nfs/dbraw/zinc/66/00/92/618660092.db2.gz BEJMATGJIILMJR-MRVPVSSYSA-N 1 0 251.286 1.509 20 5 CDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NCC[NH+]1CCC1 ZINC000866906441 620315085 /nfs/dbraw/zinc/31/50/85/620315085.db2.gz INNVAPIPOPRSBC-UHFFFAOYSA-N 1 0 281.287 1.098 20 5 CDBDRO C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000897684251 621072580 /nfs/dbraw/zinc/07/25/80/621072580.db2.gz LRFMRVABACMMRD-YBGXSUTOSA-N 1 0 262.309 1.921 20 5 CDBDRO [NH3+][C@@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000041029433 621615898 /nfs/dbraw/zinc/61/58/98/621615898.db2.gz RUYSIHYWTWYGTR-LLVKDONJSA-N 1 0 253.277 1.657 20 5 CDBDRO C[NH2+]Cc1cc(-c2cc3c(cc2[N+](=O)[O-])OCO3)no1 ZINC000901398176 624220238 /nfs/dbraw/zinc/22/02/38/624220238.db2.gz LJKKXTZESBNKIP-UHFFFAOYSA-N 1 0 277.236 1.698 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCN1C ZINC000903317018 625970566 /nfs/dbraw/zinc/97/05/66/625970566.db2.gz SCWPDTCJFJFGOG-GXFFZTMASA-N 1 0 281.331 1.959 20 5 CDBDRO O=C1CCCN1Cc1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905036748 626378056 /nfs/dbraw/zinc/37/80/56/626378056.db2.gz UNHMMHFJYIHLGI-UHFFFAOYSA-N 1 0 277.324 1.175 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNCC[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000905133060 626647320 /nfs/dbraw/zinc/64/73/20/626647320.db2.gz OTWUDNPJIBABAE-DGCLKSJQSA-N 1 0 283.397 1.997 20 5 CDBDRO O=C(CCc1ccccc1)N1CC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905162317 626673363 /nfs/dbraw/zinc/67/33/63/626673363.db2.gz VQLDLJAMBVMADL-AWEZNQCLSA-N 1 0 291.351 1.086 20 5 CDBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCC[N+](=O)[O-] ZINC000905402480 626797501 /nfs/dbraw/zinc/79/75/01/626797501.db2.gz ZMMPMOKTWJXGNA-DZGCQCFKSA-N 1 0 277.368 1.621 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CNC(=O)C2)c([N+](=O)[O-])c1 ZINC001170314482 1162334331 /nfs/dbraw/zinc/33/43/31/1162334331.db2.gz VYPFXEOQNIGWIL-MWLCHTKSSA-N 1 0 293.323 1.013 20 5 CDBDRO Cc1c(NCCN(C)CC[NH3+])ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001170502070 1162664148 /nfs/dbraw/zinc/66/41/48/1162664148.db2.gz KRNONDMGGIANJO-UHFFFAOYSA-N 1 0 297.315 1.114 20 5 CDBDRO COc1ccc(-n2ccc3cc(C[NH3+])cnc32)nc1[N+](=O)[O-] ZINC001167305299 1158577262 /nfs/dbraw/zinc/57/72/62/1158577262.db2.gz XWOUPAZODXVSKO-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO Cc1ccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)cc1C ZINC001222852312 1159672563 /nfs/dbraw/zinc/67/25/63/1159672563.db2.gz SXKMYBISENNLFO-OAHLLOKOSA-N 1 0 280.388 1.804 20 5 CDBDRO CCOc1nc(N2CC[NH2+]C3(CC3)C2)ccc1[N+](=O)[O-] ZINC001158938148 1163849651 /nfs/dbraw/zinc/84/96/51/1163849651.db2.gz QJRLSTAEQZFARS-UHFFFAOYSA-N 1 0 278.312 1.331 20 5 CDBDRO O=[N+]([O-])c1cnc(NCC[C@H]2CCOC23C[NH2+]C3)c(F)c1 ZINC001155478002 1167188407 /nfs/dbraw/zinc/18/84/07/1167188407.db2.gz QMTGVVHOUUMBRI-VIFPVBQESA-N 1 0 296.302 1.309 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C1 ZINC001578664032 1171975460 /nfs/dbraw/zinc/97/54/60/1171975460.db2.gz LISFKKQBDNZGRZ-LLVKDONJSA-N 1 0 292.339 1.976 20 5 CDBDRO O=C(NC1(c2ccccc2)C[NH2+]C1)c1ccc([N+](=O)[O-])cn1 ZINC001580597425 1172478847 /nfs/dbraw/zinc/47/88/47/1172478847.db2.gz VOIFXRBXGHYYHI-UHFFFAOYSA-N 1 0 298.302 1.218 20 5 CDBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH2+][C@H]2C[C@H]21 ZINC001580811881 1172547783 /nfs/dbraw/zinc/54/77/83/1172547783.db2.gz XYNPTPYKDHSTJX-WDEREUQCSA-N 1 0 281.699 1.435 20 5 CDBDRO C[NH+](C)CCCNc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-] ZINC001591016291 1173563221 /nfs/dbraw/zinc/56/32/21/1173563221.db2.gz MNOBAHPNFQIDDD-UHFFFAOYSA-N 1 0 297.344 1.200 20 5 CDBDRO CCC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001752726537 1184901920 /nfs/dbraw/zinc/90/19/20/1184901920.db2.gz OZUNTRKXGZQFBA-YHLPPUHQSA-N 1 0 295.383 1.635 20 5 CDBDRO Cc1cnc(N2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000078658362 721885943 /nfs/dbraw/zinc/88/59/43/721885943.db2.gz FPEQQEKRPYHHGE-LLVKDONJSA-N 1 0 264.329 1.829 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2CCC[C@H]([NH+](C)C)C2)n1 ZINC001165037277 721890263 /nfs/dbraw/zinc/89/02/63/721890263.db2.gz AIIZMQKGRNBQID-JTQLQIEISA-N 1 0 265.317 1.224 20 5 CDBDRO Cc1cc(NCC[N@H+](C)CCO)c([N+](=O)[O-])s1 ZINC000884825089 830034130 /nfs/dbraw/zinc/03/41/30/830034130.db2.gz DOVCCYAYWGOKRY-UHFFFAOYSA-N 1 0 259.331 1.301 20 5 CDBDRO O=[N+]([O-])CC[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000929929305 833052712 /nfs/dbraw/zinc/05/27/12/833052712.db2.gz HKKFYUOHVKTMTO-UONOGXRCSA-N 1 0 264.325 1.851 20 5 CDBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cnn(C)n1 ZINC000925640770 833088012 /nfs/dbraw/zinc/08/80/12/833088012.db2.gz JEPVXYAKPRAXNB-SNVBAGLBSA-N 1 0 275.312 1.617 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CCOCC2)cc1 ZINC000097603007 833283991 /nfs/dbraw/zinc/28/39/91/833283991.db2.gz IDRVWDQKSUBFEQ-ZDUSSCGKSA-N 1 0 266.297 1.397 20 5 CDBDRO CN1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C[NH3+])C1 ZINC000843122939 833305391 /nfs/dbraw/zinc/30/53/91/833305391.db2.gz XKXAYKVWEAWWBH-LLVKDONJSA-N 1 0 298.774 1.323 20 5 CDBDRO CC(C)(CO)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000135095500 833316467 /nfs/dbraw/zinc/31/64/67/833316467.db2.gz SIQUVBLZBQBWQS-LBPRGKRZSA-N 1 0 268.313 1.236 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC1CC[NH2+]CC1 ZINC000876502605 828845527 /nfs/dbraw/zinc/84/55/27/828845527.db2.gz GHRLZDYYYFRWNO-UHFFFAOYSA-N 1 0 277.324 1.693 20 5 CDBDRO C[C@H](N[C@H]1C[NH2+]CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000925673941 828879835 /nfs/dbraw/zinc/87/98/35/828879835.db2.gz FJXURKPLMXPZFG-JQWIXIFHSA-N 1 0 265.313 1.234 20 5 CDBDRO CCN(CC[NH3+])C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000074534930 828884194 /nfs/dbraw/zinc/88/41/94/828884194.db2.gz YQWGGSMZFQUNNW-VMPITWQZSA-N 1 0 263.297 1.415 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107578027 833330155 /nfs/dbraw/zinc/33/01/55/833330155.db2.gz NRSFMWUHGNUUKV-QWRGUYRKSA-N 1 0 265.288 1.385 20 5 CDBDRO CC1(C)C[NH2+]CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000843352437 829172156 /nfs/dbraw/zinc/17/21/56/829172156.db2.gz ZYYPJAFCIXXRHQ-UHFFFAOYSA-N 1 0 278.312 1.001 20 5 CDBDRO CC[C@H](CO)[N@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000931566819 829335509 /nfs/dbraw/zinc/33/55/09/829335509.db2.gz XOHICUZNGLKCJS-CYBMUJFWSA-N 1 0 252.314 1.536 20 5 CDBDRO CC(C)[C@@](C)(C[NH3+])NCc1cccnc1[N+](=O)[O-] ZINC000886830328 833395822 /nfs/dbraw/zinc/39/58/22/833395822.db2.gz PFIGWVLWZODGRB-GFCCVEGCSA-N 1 0 252.318 1.453 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H](CO)CC1 ZINC000886218659 833397243 /nfs/dbraw/zinc/39/72/43/833397243.db2.gz ZZOQTXYPKBXQCF-NSHDSACASA-N 1 0 265.313 1.584 20 5 CDBDRO CC(C)(CCO)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843078116 829619174 /nfs/dbraw/zinc/61/91/74/829619174.db2.gz LOSIEROYUCQXRM-CYBMUJFWSA-N 1 0 282.340 1.626 20 5 CDBDRO Cn1nccc1CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819232318 833444932 /nfs/dbraw/zinc/44/49/32/833444932.db2.gz FYMYLIHNSCTHCI-CQSZACIVSA-N 1 0 290.323 1.194 20 5 CDBDRO CN(c1ccccc1)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000791054076 829754931 /nfs/dbraw/zinc/75/49/31/829754931.db2.gz WYMUNYHTCRLPDJ-UHFFFAOYSA-N 1 0 263.341 1.864 20 5 CDBDRO CCNC(=O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000228330316 829814213 /nfs/dbraw/zinc/81/42/13/829814213.db2.gz YZRAYMAJLPJVKE-SNVBAGLBSA-N 1 0 265.313 1.772 20 5 CDBDRO CNC(=O)C1(NCc2cc([O-])ccc2[N+](=O)[O-])CCCC1 ZINC000779176678 829881963 /nfs/dbraw/zinc/88/19/63/829881963.db2.gz QDVNDUGHAGZCJF-UHFFFAOYSA-N 1 0 293.323 1.449 20 5 CDBDRO CC(C)(CCc1noc([C@]2(F)CC[NH2+]C2)n1)[N+](=O)[O-] ZINC000843232740 830019496 /nfs/dbraw/zinc/01/94/96/830019496.db2.gz BCNXCWIIKGDWEN-NSHDSACASA-N 1 0 272.280 1.216 20 5 CDBDRO C[C@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000891383913 830126838 /nfs/dbraw/zinc/12/68/38/830126838.db2.gz XFZLZNRJLYSYPR-GAFUQQFSSA-N 1 0 290.323 1.412 20 5 CDBDRO CCN1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000722360201 830197340 /nfs/dbraw/zinc/19/73/40/830197340.db2.gz PFHARYORGCSTEY-CYBMUJFWSA-N 1 0 277.324 1.695 20 5 CDBDRO C[C@H](COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000847963619 830220016 /nfs/dbraw/zinc/22/00/16/830220016.db2.gz SABCZECKTYAVDD-GMTAPVOTSA-N 1 0 256.302 1.069 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000823270850 830245804 /nfs/dbraw/zinc/24/58/04/830245804.db2.gz VZOVLWBBWNDIKJ-RNFRBKRXSA-N 1 0 264.241 1.703 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)C[NH3+] ZINC000876786418 830323813 /nfs/dbraw/zinc/32/38/13/830323813.db2.gz HFPHOUZGAGFTHY-QMMMGPOBSA-N 1 0 265.313 1.536 20 5 CDBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NCC[N+](=O)[O-] ZINC000791053822 830391328 /nfs/dbraw/zinc/39/13/28/830391328.db2.gz HRDCYEUBAFLCQE-UHFFFAOYSA-N 1 0 265.357 1.763 20 5 CDBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839568137 830438455 /nfs/dbraw/zinc/43/84/55/830438455.db2.gz NQRZXNHAALHCGA-WUHRBBMRSA-N 1 0 297.399 1.524 20 5 CDBDRO CCc1nn(C)c(N2CCC[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000091575988 833677973 /nfs/dbraw/zinc/67/79/73/833677973.db2.gz PDDKIXZBCCTIBF-VIFPVBQESA-N 1 0 267.333 1.066 20 5 CDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843109021 832237805 /nfs/dbraw/zinc/23/78/05/832237805.db2.gz QPCWZLMIXMIUIK-RWMBFGLXSA-N 1 0 280.324 1.377 20 5 CDBDRO COc1cc(C[NH2+]C[C@@H]2CCN2C)c([N+](=O)[O-])cc1O ZINC000922576123 832297866 /nfs/dbraw/zinc/29/78/66/832297866.db2.gz UKKCRJBGXNZUJF-JTQLQIEISA-N 1 0 281.312 1.103 20 5 CDBDRO C[C@H]1[NH2+]CC[C@@H]1c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000823233926 832349193 /nfs/dbraw/zinc/34/91/93/832349193.db2.gz DWPHDZBUMOLOJM-BDAKNGLRSA-N 1 0 268.317 1.523 20 5 CDBDRO CC[NH2+]CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841035580 833837398 /nfs/dbraw/zinc/83/73/98/833837398.db2.gz HRKOTGMFAUUOOU-UHFFFAOYSA-N 1 0 257.721 1.947 20 5 CDBDRO Cc1c(C[NH2+][C@@H]2COCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000710875291 833843678 /nfs/dbraw/zinc/84/36/78/833843678.db2.gz QZECTQINBCXEEP-DGCLKSJQSA-N 1 0 266.297 1.143 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2CC([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000135636830 833868162 /nfs/dbraw/zinc/86/81/62/833868162.db2.gz FKEXADVOBKTCQD-UHFFFAOYSA-N 1 0 281.287 1.428 20 5 CDBDRO CCC[NH+]1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881749752 833862548 /nfs/dbraw/zinc/86/25/48/833862548.db2.gz JPBRYVAKQHSLGC-UHFFFAOYSA-N 1 0 268.292 1.661 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000923362617 832511947 /nfs/dbraw/zinc/51/19/47/832511947.db2.gz PLYBWUNKOUCHPR-NWANDNLSSA-N 1 0 291.351 1.312 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000886280721 832809990 /nfs/dbraw/zinc/80/99/90/832809990.db2.gz JQKORVFAEWDOFP-MNOVXSKESA-N 1 0 263.297 1.383 20 5 CDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000716545101 832830678 /nfs/dbraw/zinc/83/06/78/832830678.db2.gz LIYKNORYAGRTGK-JTQLQIEISA-N 1 0 277.324 1.713 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CCC[NH3+])c1C ZINC000884035649 832846835 /nfs/dbraw/zinc/84/68/35/832846835.db2.gz CWGXRZHAFPPYBK-UHFFFAOYSA-N 1 0 265.313 1.632 20 5 CDBDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000171961508 832922539 /nfs/dbraw/zinc/92/25/39/832922539.db2.gz KQBHFSQHSNIEPM-SNVBAGLBSA-N 1 0 295.314 1.692 20 5 CDBDRO NC(=O)c1ccc(N[C@H]2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000089105926 832938805 /nfs/dbraw/zinc/93/88/05/832938805.db2.gz SOLDCXHYGUEANS-ZJUUUORDSA-N 1 0 278.312 1.233 20 5 CDBDRO C[C@@H]1COCC[C@@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819305196 833823018 /nfs/dbraw/zinc/82/30/18/833823018.db2.gz HTFYNFFDPXSWCL-KYOSRNDESA-N 1 0 294.351 1.890 20 5 CDBDRO C[C@@H](COC(=O)c1ccc([N+](=O)[O-])n1C)[NH+]1CCCCC1 ZINC000847959772 833869342 /nfs/dbraw/zinc/86/93/42/833869342.db2.gz JRLZPRRLMUJGFZ-NSHDSACASA-N 1 0 295.339 1.965 20 5 CDBDRO CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001034644482 834047594 /nfs/dbraw/zinc/04/75/94/834047594.db2.gz HQIFVGMZSGVLMT-FDYHWXHSSA-N 1 0 283.372 1.325 20 5 CDBDRO CC1([NH3+])CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000923345653 834091750 /nfs/dbraw/zinc/09/17/50/834091750.db2.gz KVUANURCFVTBBY-CYBMUJFWSA-N 1 0 279.340 1.441 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000089108424 834259666 /nfs/dbraw/zinc/25/96/66/834259666.db2.gz FNKIPPXMQSEBJU-UWVGGRQHSA-N 1 0 250.302 1.919 20 5 CDBDRO CN1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000848525392 834357385 /nfs/dbraw/zinc/35/73/85/834357385.db2.gz PSIVGVWMLOIUDR-ZWNOBZJWSA-N 1 0 261.325 1.876 20 5 CDBDRO Cc1c(C[NH2+][C@@H]2CC[C@@H](O)[C@@H](O)CC2)cccc1[N+](=O)[O-] ZINC000886262614 834357632 /nfs/dbraw/zinc/35/76/32/834357632.db2.gz VXQGKGKNXOSRGG-XMQYKBBCSA-N 1 0 294.351 1.657 20 5 CDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000882480543 834430033 /nfs/dbraw/zinc/43/00/33/834430033.db2.gz UTUKTJKUKKZXBW-LLVKDONJSA-N 1 0 293.323 1.427 20 5 CDBDRO C[NH2+]CCc1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000822862553 834459273 /nfs/dbraw/zinc/45/92/73/834459273.db2.gz KRLYRUAWEHWZMB-UHFFFAOYSA-N 1 0 292.295 1.339 20 5 CDBDRO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C1CCC([NH3+])CC1 ZINC000135243302 834806076 /nfs/dbraw/zinc/80/60/76/834806076.db2.gz UBJJCMCGSLALMN-UHFFFAOYSA-N 1 0 291.351 1.866 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886252117 834818179 /nfs/dbraw/zinc/81/81/79/834818179.db2.gz UGNCAZRZHXPLMV-ZOZIMZAQSA-N 1 0 280.324 1.185 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000885953758 834871475 /nfs/dbraw/zinc/87/14/75/834871475.db2.gz FGYQKPSOESZXEM-NSHDSACASA-N 1 0 277.324 1.991 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccnc(F)c3[N+](=O)[O-])CC[C@H]21 ZINC000882700100 834894349 /nfs/dbraw/zinc/89/43/49/834894349.db2.gz SKZABUGIWZGHRH-NXEZZACHSA-N 1 0 280.303 1.659 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCCNC(=O)C1 ZINC000778942059 835231844 /nfs/dbraw/zinc/23/18/44/835231844.db2.gz FJBSOMUCJJBWIR-LLVKDONJSA-N 1 0 277.324 1.786 20 5 CDBDRO CC(C)(CCO)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843078118 835270796 /nfs/dbraw/zinc/27/07/96/835270796.db2.gz LOSIEROYUCQXRM-ZDUSSCGKSA-N 1 0 282.340 1.626 20 5 CDBDRO CO[C@H](C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000849328823 835325766 /nfs/dbraw/zinc/32/57/66/835325766.db2.gz LVZQCCBLRNIHNE-BXKDBHETSA-N 1 0 254.286 1.253 20 5 CDBDRO C[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000858633323 835345245 /nfs/dbraw/zinc/34/52/45/835345245.db2.gz ZJARYNSXTSHVFB-AOOOYVTPSA-N 1 0 275.312 1.429 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2CC[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC000261982777 835623622 /nfs/dbraw/zinc/62/36/22/835623622.db2.gz MHMKVMWTIKKSDD-CQSZACIVSA-N 1 0 295.314 1.853 20 5 CDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCCC1 ZINC000801798574 835631739 /nfs/dbraw/zinc/63/17/39/835631739.db2.gz ZBAMEFRUVFUOFM-UHFFFAOYSA-N 1 0 296.302 1.142 20 5 CDBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C[NH2+]1 ZINC000261607286 835673312 /nfs/dbraw/zinc/67/33/12/835673312.db2.gz RQNLGAXOQAEHIR-UWVGGRQHSA-N 1 0 267.304 1.916 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(C3CC3)CCC2)n1 ZINC000887146102 835742535 /nfs/dbraw/zinc/74/25/35/835742535.db2.gz FSHPGZHNVWNDAZ-UHFFFAOYSA-N 1 0 250.302 1.714 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)NOCC[NH3+])c1F ZINC001173180306 912279155 /nfs/dbraw/zinc/27/91/55/912279155.db2.gz UXSDZIILSLFYIL-MRVPVSSYSA-N 1 0 287.291 1.153 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CNC(=O)C1 ZINC001173217861 912302532 /nfs/dbraw/zinc/30/25/32/912302532.db2.gz MSNTVRHAXYTMDG-ZYHUDNBSSA-N 1 0 277.324 1.252 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CNC(=O)O1 ZINC001173229690 912320203 /nfs/dbraw/zinc/32/02/03/912320203.db2.gz OXQBTUDAOIZFPK-CABZTGNLSA-N 1 0 279.296 1.224 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](O)C[C@H]1C ZINC001173225262 912313802 /nfs/dbraw/zinc/31/38/02/912313802.db2.gz JCESUBRVLGZMMD-JTNHKYCSSA-N 1 0 264.325 1.981 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCC(=O)NC1 ZINC001173234306 912326187 /nfs/dbraw/zinc/32/61/87/912326187.db2.gz OEEJOSWYDDUFAC-AAEUAGOBSA-N 1 0 291.351 1.784 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC001122024494 913356488 /nfs/dbraw/zinc/35/64/88/913356488.db2.gz WKTYFLNZZJOGIZ-QMMMGPOBSA-N 1 0 283.353 1.784 20 5 CDBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC001122481184 913770423 /nfs/dbraw/zinc/77/04/23/913770423.db2.gz TUXOBDLPTIVQPI-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2nc(OC)ccc2[N+](=O)[O-])C1 ZINC001234875130 913860389 /nfs/dbraw/zinc/86/03/89/913860389.db2.gz BZMCERNCFJFFKF-SECBINFHSA-N 1 0 267.285 1.471 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(-n2nc(C[NH3+])c3ccccc32)n1 ZINC001167693543 898379112 /nfs/dbraw/zinc/37/91/12/898379112.db2.gz SNKRSCHFNPYCKP-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO O=[N+]([O-])c1cnc2ccc(N[C@H]3C[NH2+]CC[C@H]3F)cn21 ZINC001168227184 907943377 /nfs/dbraw/zinc/94/33/77/907943377.db2.gz WSJIGQHZWWCEKM-ZJUUUORDSA-N 1 0 279.275 1.354 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2nc(N[C@H]3C[NH2+]CC[C@H]3F)ccc12 ZINC001168228201 907946546 /nfs/dbraw/zinc/94/65/46/907946546.db2.gz PNDRVJBLJDTZPA-BDAKNGLRSA-N 1 0 279.275 1.583 20 5 CDBDRO Cc1cc(F)ccc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936420 909929720 /nfs/dbraw/zinc/92/97/20/909929720.db2.gz GSYXAFHVQUKVIC-CHWSQXEVSA-N 1 0 295.314 1.005 20 5 CDBDRO CCOC(=O)[C@H]1CC[C@@H](OCCC[N+](C)(C)C)C1 ZINC001224620998 909977083 /nfs/dbraw/zinc/97/70/83/909977083.db2.gz HIHJZDOHOYWATQ-QWHCGFSZSA-N 1 0 258.382 1.831 20 5 CDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001168593423 919365694 /nfs/dbraw/zinc/36/56/94/919365694.db2.gz NONGPZMZFXNCMT-UWVGGRQHSA-N 1 0 298.318 1.652 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](Nc2c(F)c([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001162390100 922461955 /nfs/dbraw/zinc/46/19/55/922461955.db2.gz CBQGHBUWCVBEAQ-SFYZADRCSA-N 1 0 270.264 1.049 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC([NH3+])CC2)n1 ZINC001166661695 925201385 /nfs/dbraw/zinc/20/13/85/925201385.db2.gz OZNIQFWTZIYEAK-UHFFFAOYSA-N 1 0 271.708 1.274 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[C@H]([NH3+])C1 ZINC001154986783 926307261 /nfs/dbraw/zinc/30/72/61/926307261.db2.gz KDZNSXULEZYYDI-YUMQZZPRSA-N 1 0 251.290 1.254 20 5 CDBDRO Cc1ncn(-c2ncc([N+](=O)[O-])cn2)c1CSCC[NH3+] ZINC001168785420 927420512 /nfs/dbraw/zinc/42/05/12/927420512.db2.gz ZGTVPTYNPBBTJV-UHFFFAOYSA-N 1 0 294.340 1.071 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCOc2cccnc2)C1 ZINC001168979239 927567557 /nfs/dbraw/zinc/56/75/57/927567557.db2.gz XRBIVIWKFPRVQU-RYUDHWBXSA-N 1 0 265.313 1.495 20 5 CDBDRO CNC(=O)[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001168986174 927570297 /nfs/dbraw/zinc/57/02/97/927570297.db2.gz WWRKZIUSQOWPCL-GARJFASQSA-N 1 0 271.361 1.182 20 5 CDBDRO Cc1nc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c(C)o1 ZINC001168959038 927580520 /nfs/dbraw/zinc/58/05/20/927580520.db2.gz SQTDZOCBDJKVHU-GHMZBOCLSA-N 1 0 253.302 1.826 20 5 CDBDRO COC(=O)CCCCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168973286 927596114 /nfs/dbraw/zinc/59/61/14/927596114.db2.gz NRYOFEJQTAPZAH-VXGBXAGGSA-N 1 0 272.345 1.755 20 5 CDBDRO COc1cncc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168994114 927600610 /nfs/dbraw/zinc/60/06/10/927600610.db2.gz PJMZTBGLLADJIU-PWSUYJOCSA-N 1 0 265.313 1.625 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc(CCO)c2)C1 ZINC001168996590 927603765 /nfs/dbraw/zinc/60/37/65/927603765.db2.gz WJEXPYSBKVAIGQ-CABCVRRESA-N 1 0 278.352 1.756 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[C@H](O)CC2)C1 ZINC001169001493 927606612 /nfs/dbraw/zinc/60/66/12/927606612.db2.gz GMAGURMZUMEAMS-FVCCEPFGSA-N 1 0 256.346 1.573 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2C[C@H](CO)C[C@H](F)C2)C1 ZINC001169006008 927609271 /nfs/dbraw/zinc/60/92/71/927609271.db2.gz FDNANJPNVGNLMU-WYUUTHIRSA-N 1 0 260.309 1.084 20 5 CDBDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@@]1(C)O ZINC001169009957 927613161 /nfs/dbraw/zinc/61/31/61/927613161.db2.gz ABMRAKAAUYSVBX-FDYHWXHSSA-N 1 0 256.346 1.525 20 5 CDBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169009045 927613911 /nfs/dbraw/zinc/61/39/11/927613911.db2.gz UOJYTEPTLIDUSM-LPWJVIDDSA-N 1 0 284.356 1.753 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@]3(CCOC3)C2)C1 ZINC001169010612 927617134 /nfs/dbraw/zinc/61/71/34/927617134.db2.gz FDPYJUQYZAYGMO-MGPQQGTHSA-N 1 0 268.357 1.934 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@](O)(CF)[C@@H](F)C2)C1 ZINC001169011554 927617265 /nfs/dbraw/zinc/61/72/65/927617265.db2.gz KWLYGGYVEKXIGK-WYUUTHIRSA-N 1 0 278.299 1.176 20 5 CDBDRO CN(C)C(=O)N1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168987291 927622450 /nfs/dbraw/zinc/62/24/50/927622450.db2.gz HYBXLMNMJBENOH-UPJWGTAASA-N 1 0 298.387 1.167 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCN2CCC(F)CC2)C1 ZINC001168988022 927625116 /nfs/dbraw/zinc/62/51/16/927625116.db2.gz MPTUMYAQVKOSAM-AAEUAGOBSA-N 1 0 273.352 1.455 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccn2)C1 ZINC001168987950 927625449 /nfs/dbraw/zinc/62/54/49/927625449.db2.gz LQDGYULGBIMMNL-GXSJLCMTSA-N 1 0 253.277 1.756 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(C3CCOCC3)C2)C1 ZINC001168991234 927629667 /nfs/dbraw/zinc/62/96/67/927629667.db2.gz FYJNJCYDUYQDGL-RDBSUJKOSA-N 1 0 297.399 1.275 20 5 CDBDRO CCOC(=O)N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169036841 927646418 /nfs/dbraw/zinc/64/64/18/927646418.db2.gz QEWIATIGSBOOIN-NEPJUHHUSA-N 1 0 285.344 1.206 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCOC3(CCOCC3)C2)C1 ZINC001169039522 927650228 /nfs/dbraw/zinc/65/02/28/927650228.db2.gz QVOUUTYJXYOSFI-STQMWFEESA-N 1 0 284.356 1.313 20 5 CDBDRO C[N@H+](CCC1OCCO1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169040129 927653992 /nfs/dbraw/zinc/65/39/92/927653992.db2.gz YBQCDZNBOPEHKB-WDEREUQCSA-N 1 0 258.318 1.127 20 5 CDBDRO CC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169040242 927654059 /nfs/dbraw/zinc/65/40/59/927654059.db2.gz ZBGOGPPVEKEVJZ-XQQFMLRXSA-N 1 0 254.330 1.733 20 5 CDBDRO CN(C1CC1)[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169044518 927656813 /nfs/dbraw/zinc/65/68/13/927656813.db2.gz HZNRPXLGRSYUFJ-KWCYVHTRSA-N 1 0 267.373 1.600 20 5 CDBDRO CC(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169021449 927662656 /nfs/dbraw/zinc/66/26/56/927662656.db2.gz KWUJRGSANJDKIF-POQQGIQPSA-N 1 0 295.383 1.134 20 5 CDBDRO CC(C)(C)OC(=O)N1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169053561 927672619 /nfs/dbraw/zinc/67/26/19/927672619.db2.gz IRQIDYXKVQWJAT-RYUDHWBXSA-N 1 0 299.371 1.942 20 5 CDBDRO COC(=O)[C@]1(C)CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169057965 927674682 /nfs/dbraw/zinc/67/46/82/927674682.db2.gz ZOMJOUBKCLKMCA-NQBHXWOUSA-N 1 0 270.329 1.317 20 5 CDBDRO C[C@H]1COCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776593540 927786118 /nfs/dbraw/zinc/78/61/18/927786118.db2.gz LCGHGHKTAYZGFQ-BXUZGUMPSA-N 1 0 280.324 1.597 20 5 CDBDRO COc1c(F)cc(-n2ccc([C@H](C)[NH3+])n2)cc1[N+](=O)[O-] ZINC001169232259 927845876 /nfs/dbraw/zinc/84/58/76/927845876.db2.gz BYXMEVLRFJKGMV-ZETCQYMHSA-N 1 0 280.259 1.948 20 5 CDBDRO [NH3+]CCONC(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001156291887 927930867 /nfs/dbraw/zinc/93/08/67/927930867.db2.gz ROQSELJNYFZIMK-UHFFFAOYSA-N 1 0 282.634 1.172 20 5 CDBDRO CC[C@]1(C(=O)NCc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000062903218 928537797 /nfs/dbraw/zinc/53/77/97/928537797.db2.gz GCVUQGVFXCCRQC-AWEZNQCLSA-N 1 0 277.324 1.601 20 5 CDBDRO C[NH2+]CCNc1ccc(-c2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC001156893790 929039857 /nfs/dbraw/zinc/03/98/57/929039857.db2.gz UQRSWXOOHFJENT-UHFFFAOYSA-N 1 0 287.323 1.992 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H]2C[NH2+]C[C@@H]2CO)c2ccccc21 ZINC001170784793 930008031 /nfs/dbraw/zinc/00/80/31/930008031.db2.gz VDQNGLMYINGDCJ-QMTHXVAHSA-N 1 0 287.319 1.740 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1cc(F)cc([N+](=O)[O-])c1C ZINC001170866001 930534153 /nfs/dbraw/zinc/53/41/53/930534153.db2.gz SASCUKUAKRQRNP-LLVKDONJSA-N 1 0 257.265 1.512 20 5 CDBDRO COC(=O)c1cc(NCC[C@@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC001170891030 930684543 /nfs/dbraw/zinc/68/45/43/930684543.db2.gz STTHOKKYLCRQHP-MRVPVSSYSA-N 1 0 267.285 1.531 20 5 CDBDRO C[C@@]1([NH3+])CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246533962 931622034 /nfs/dbraw/zinc/62/20/34/931622034.db2.gz FCNVKNGBJSKEHV-UONOGXRCSA-N 1 0 261.325 1.485 20 5 CDBDRO CO[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001118091491 937590097 /nfs/dbraw/zinc/59/00/97/937590097.db2.gz XDDUNWBMVKAYIX-YUTCNCBUSA-N 1 0 280.324 1.785 20 5 CDBDRO [NH3+]Cc1ccc2cn(-c3ccc([N+](=O)[O-])cn3)nc2c1 ZINC001171314722 932619514 /nfs/dbraw/zinc/61/95/14/932619514.db2.gz IFFUQYPJCLWYBL-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(NC[C@H]2CCC[NH2+]C[C@@H]2C)n1 ZINC001155025062 937622583 /nfs/dbraw/zinc/62/25/83/937622583.db2.gz LJOUUEDLEHAXRV-GXSJLCMTSA-N 1 0 279.344 1.741 20 5 CDBDRO Nc1nc(-n2cncc2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001155058363 937628942 /nfs/dbraw/zinc/62/89/42/937628942.db2.gz YZTJOEKSGFAUBD-UHFFFAOYSA-N 1 0 288.311 1.225 20 5 CDBDRO Cc1nc(N[C@H]2C[NH+]3CCC2CC3)ncc1[N+](=O)[O-] ZINC001155668562 937662752 /nfs/dbraw/zinc/66/27/52/937662752.db2.gz ZRVNEDOEBRNHEW-JTQLQIEISA-N 1 0 263.301 1.199 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]([NH+](C)C)[C@H]1C ZINC000931040060 933495889 /nfs/dbraw/zinc/49/58/89/933495889.db2.gz WWDREPDXDGJLSB-PWSUYJOCSA-N 1 0 281.360 1.124 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(CCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000931279402 933529949 /nfs/dbraw/zinc/52/99/49/933529949.db2.gz HWVFTNNYAPUHCR-FICVDOATSA-N 1 0 275.352 1.629 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(C2CC2)CCOCC1 ZINC001119253292 937703476 /nfs/dbraw/zinc/70/34/76/937703476.db2.gz FPWVVBWQYNWLFX-UHFFFAOYSA-N 1 0 294.355 1.649 20 5 CDBDRO CCO[C@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])C12CCCCC2 ZINC001119852148 937760341 /nfs/dbraw/zinc/76/03/41/937760341.db2.gz RESHKWRCOKBNSO-NEPJUHHUSA-N 1 0 256.346 1.981 20 5 CDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC001122489357 937936619 /nfs/dbraw/zinc/93/66/19/937936619.db2.gz RJYITUYECISMEH-OPRDCNLKSA-N 1 0 295.364 1.681 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCCC[C@]12CCC[NH2+]C2 ZINC001122507842 937938140 /nfs/dbraw/zinc/93/81/40/937938140.db2.gz DNMJHRIBDHOKLC-CQSZACIVSA-N 1 0 293.323 1.936 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001156389720 938361754 /nfs/dbraw/zinc/36/17/54/938361754.db2.gz QUHFXCGDTNQFNL-LBPRGKRZSA-N 1 0 294.355 1.680 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1ccc2cc(C[NH3+])cnc21 ZINC001156594193 938390814 /nfs/dbraw/zinc/39/08/14/938390814.db2.gz CJMNJMPSBDUOQG-UHFFFAOYSA-N 1 0 299.290 1.334 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2cccc2C[NH3+])n1 ZINC001156736742 938412425 /nfs/dbraw/zinc/41/24/25/938412425.db2.gz WGVGNOIBITWIPJ-UHFFFAOYSA-N 1 0 276.252 1.026 20 5 CDBDRO COc1nc(N2CC[C@H]([N@H+](C)C(C)C)C2)ncc1[N+](=O)[O-] ZINC001157001210 938444918 /nfs/dbraw/zinc/44/49/18/938444918.db2.gz KORZUGBVKWOLDF-JTQLQIEISA-N 1 0 295.343 1.312 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@H]2C[NH2+]CC[C@H]2F)c(Cl)c1 ZINC001157445339 938492604 /nfs/dbraw/zinc/49/26/04/938492604.db2.gz FEIZOHNVUVEZIL-BDAKNGLRSA-N 1 0 274.683 1.755 20 5 CDBDRO O=C(NCCC[NH2+]Cc1cccc(F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157766820 938542781 /nfs/dbraw/zinc/54/27/81/938542781.db2.gz ACCBOPPDBDSJPH-CHWSQXEVSA-N 1 0 295.314 1.087 20 5 CDBDRO CC(C)N(c1ncc([N+](=O)[O-])cc1F)[C@@H]1CC[NH2+]C1 ZINC001158025287 938575923 /nfs/dbraw/zinc/57/59/23/938575923.db2.gz JYQXOJIQGXYJKA-SECBINFHSA-N 1 0 268.292 1.706 20 5 CDBDRO COc1cc(C)nc(N2CCC[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001158675319 938648968 /nfs/dbraw/zinc/64/89/68/938648968.db2.gz LFOMYOXQHKIFQI-CQSZACIVSA-N 1 0 294.355 1.872 20 5 CDBDRO CN(c1cc([N+](=O)[O-])cc(Cl)n1)C(C)(C)C[NH3+] ZINC001159051478 938697750 /nfs/dbraw/zinc/69/77/50/938697750.db2.gz MCUHONPRQGXHIO-UHFFFAOYSA-N 1 0 258.709 1.817 20 5 CDBDRO Cc1c(C)c([N+](=O)[O-])cnc1NCCOCCOCC[NH3+] ZINC001159445695 938728921 /nfs/dbraw/zinc/72/89/21/938728921.db2.gz SPVLOTZWUDYJFM-UHFFFAOYSA-N 1 0 298.343 1.010 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001159744434 938749291 /nfs/dbraw/zinc/74/92/91/938749291.db2.gz VOGAKCZEXUOHNJ-GFCCVEGCSA-N 1 0 277.284 1.007 20 5 CDBDRO [NH3+]C[C@H]1COc2ccccc2N1c1cccc([N+](=O)[O-])n1 ZINC001160195537 938774947 /nfs/dbraw/zinc/77/49/47/938774947.db2.gz NHBCQDBKCJOSCR-JTQLQIEISA-N 1 0 286.291 1.848 20 5 CDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2cc(C[NH3+])cnc2=N)n1 ZINC001161414574 938901723 /nfs/dbraw/zinc/90/17/23/938901723.db2.gz CAFXPWXTQBOZAU-UHFFFAOYSA-N 1 0 294.702 1.075 20 5 CDBDRO COc1cc(NC[C@H]2C[NH2+]CC(C)(C)O2)ncc1[N+](=O)[O-] ZINC001161954567 938948142 /nfs/dbraw/zinc/94/81/42/938948142.db2.gz YUAXCMNCSUQYJB-SECBINFHSA-N 1 0 296.327 1.177 20 5 CDBDRO COc1cc(C)c([N+](=O)[O-])cc1-n1cnc(C[NH3+])c1 ZINC001162303976 938975773 /nfs/dbraw/zinc/97/57/73/938975773.db2.gz COANEFGFIFXNFQ-UHFFFAOYSA-N 1 0 262.269 1.556 20 5 CDBDRO Cn1cc([N+](=O)[O-])c(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC001162544025 939081454 /nfs/dbraw/zinc/08/14/54/939081454.db2.gz GVGMVODBRJEOBK-LBPRGKRZSA-N 1 0 293.371 1.641 20 5 CDBDRO [NH3+]C[C@@H]1Cc2ccccc2CN1c1cccc([N+](=O)[O-])n1 ZINC001162740505 939131839 /nfs/dbraw/zinc/13/18/39/939131839.db2.gz CNIRFCKDOSCOIZ-ZDUSSCGKSA-N 1 0 284.319 1.880 20 5 CDBDRO Cc1cc([N+](=O)[O-])cc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c1F ZINC001163108677 939202567 /nfs/dbraw/zinc/20/25/67/939202567.db2.gz UVSNRXMCYPVXMU-IRUJWGPZSA-N 1 0 295.314 1.689 20 5 CDBDRO Cc1cnc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC001163172090 939219188 /nfs/dbraw/zinc/21/91/88/939219188.db2.gz QHZHLEFHNSNNFK-WZRBSPASSA-N 1 0 292.339 1.335 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(NC[C@@]23C[NH2+][C@@H](CO2)C3)c1 ZINC001163197434 939223523 /nfs/dbraw/zinc/22/35/23/939223523.db2.gz VWZNMAINXUBGFS-PRHODGIISA-N 1 0 283.715 1.791 20 5 CDBDRO Cc1c(F)cc([N+](=O)[O-])cc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163206485 939225678 /nfs/dbraw/zinc/22/56/78/939225678.db2.gz LJRIBUWRQRDBQM-NOZJJQNGSA-N 1 0 281.287 1.585 20 5 CDBDRO COc1cc(C)nc(N2CC([NH+](C)C)C2)c1[N+](=O)[O-] ZINC001163933282 939356564 /nfs/dbraw/zinc/35/65/64/939356564.db2.gz COUITAOOKUXZCS-UHFFFAOYSA-N 1 0 266.301 1.057 20 5 CDBDRO Cc1cnc(N2C[C@@H](C)CC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001164062551 939403240 /nfs/dbraw/zinc/40/32/40/939403240.db2.gz MFDLSGOIANCAII-GXSJLCMTSA-N 1 0 264.329 1.862 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H](C)CC[C@@H]2C[NH3+])n1 ZINC001164070879 939404956 /nfs/dbraw/zinc/40/49/56/939404956.db2.gz POWGUNKLKGXDQF-VXNVDRBHSA-N 1 0 299.762 1.910 20 5 CDBDRO C[C@@H]1CC[C@H](C[NH3+])CN1c1cc(N)c([N+](=O)[O-])cn1 ZINC001164468245 939476820 /nfs/dbraw/zinc/47/68/20/939476820.db2.gz PTLPPUQHHTWXQH-RKDXNWHRSA-N 1 0 265.317 1.136 20 5 CDBDRO [NH3+]C1CC2(C1)CCN(c1cccc([N+](=O)[O-])n1)CC2 ZINC001165243609 939532168 /nfs/dbraw/zinc/53/21/68/939532168.db2.gz MPOWUVHWSADNJI-UHFFFAOYSA-N 1 0 262.313 1.698 20 5 CDBDRO CCOC(=O)c1ccnc(N2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC001166665859 939624741 /nfs/dbraw/zinc/62/47/41/939624741.db2.gz LYZGZTKPEBEICL-UHFFFAOYSA-N 1 0 294.311 1.094 20 5 CDBDRO Cc1nc(-n2c(=N)sc3c2CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001166859925 939645551 /nfs/dbraw/zinc/64/55/51/939645551.db2.gz OBYNBTSJAMRQHA-UHFFFAOYSA-N 1 0 291.336 1.276 20 5 CDBDRO [NH3+][C@@H]1CN(c2ccc3ccc([N+](=O)[O-])cc3n2)C[C@@H]1F ZINC001166928801 939651170 /nfs/dbraw/zinc/65/11/70/939651170.db2.gz QTXXMGKCYHTPCE-WDEREUQCSA-N 1 0 276.271 1.628 20 5 CDBDRO CCOc1nc(N(C)C[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001166957997 939659961 /nfs/dbraw/zinc/65/99/61/939659961.db2.gz OEBKCBLSPMSDHG-SNVBAGLBSA-N 1 0 280.328 1.434 20 5 CDBDRO Cc1ccc(C(=O)COC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001204824709 939794714 /nfs/dbraw/zinc/79/47/14/939794714.db2.gz HUNVVJAXDAQPGG-CQSZACIVSA-N 1 0 294.371 1.178 20 5 CDBDRO COC(=O)c1cccc(CO[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001217859659 941024358 /nfs/dbraw/zinc/02/43/58/941024358.db2.gz FOSMUCVGCWZPGH-NSHDSACASA-N 1 0 294.307 1.650 20 5 CDBDRO Cc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(C)n1 ZINC001225429270 941858009 /nfs/dbraw/zinc/85/80/09/941858009.db2.gz MYZDECMXYPTSBV-GFCCVEGCSA-N 1 0 267.349 1.061 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(c1)OCCO2 ZINC001226033503 941943711 /nfs/dbraw/zinc/94/37/11/941943711.db2.gz NLEVDLYSHPRBQV-LLVKDONJSA-N 1 0 252.334 1.931 20 5 CDBDRO C[N@@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227109374 942134472 /nfs/dbraw/zinc/13/44/72/942134472.db2.gz YBDOOOUHGKKZOI-VIFPVBQESA-N 1 0 282.256 1.371 20 5 CDBDRO CC(C)(C[NH3+])CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000721205393 942139320 /nfs/dbraw/zinc/13/93/20/942139320.db2.gz VOSNEMPXOFHYOH-UHFFFAOYSA-N 1 0 279.340 1.629 20 5 CDBDRO COCC[NH+]1CCC(Oc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC001227237087 942155638 /nfs/dbraw/zinc/15/56/38/942155638.db2.gz QLVDOUFTHLZONC-UHFFFAOYSA-N 1 0 295.339 1.788 20 5 CDBDRO COC(=O)c1ccc(O)cc1O[C@H](C)C[N+](C)(C)C ZINC001228193406 942279834 /nfs/dbraw/zinc/27/98/34/942279834.db2.gz VERDMMFTDDVJSV-SNVBAGLBSA-O 1 0 268.333 1.652 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1[nH]c(=S)nc2[nH]ccc21 ZINC001228528728 942331019 /nfs/dbraw/zinc/33/10/19/942331019.db2.gz LONIYJIBJBZXAX-MRVPVSSYSA-O 1 0 267.378 1.720 20 5 CDBDRO COC(=O)c1nc(C)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001228929688 942395952 /nfs/dbraw/zinc/39/59/52/942395952.db2.gz MTILLOYIIMCSSF-NSHDSACASA-N 1 0 267.349 1.650 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccnc2sccc21 ZINC001229203429 942432901 /nfs/dbraw/zinc/43/29/01/942432901.db2.gz AMQWVGLVJYFKMZ-SNVBAGLBSA-N 1 0 295.384 1.659 20 5 CDBDRO C[N@@H+]1CCC[C@H](Oc2cc3n[nH]cc3cc2[N+](=O)[O-])C1 ZINC001230595031 942651072 /nfs/dbraw/zinc/65/10/72/942651072.db2.gz IHPHHLZDKOKATN-JTQLQIEISA-N 1 0 276.296 1.944 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(-c2nn[nH]n2)c1 ZINC001231118735 942790737 /nfs/dbraw/zinc/79/07/37/942790737.db2.gz UDEUXMNXXYVEEE-SNVBAGLBSA-N 1 0 262.337 1.340 20 5 CDBDRO C[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001233704184 943643866 /nfs/dbraw/zinc/64/38/66/943643866.db2.gz KCAQOSKWBSUIMR-SECBINFHSA-N 1 0 267.241 1.586 20 5 CDBDRO Cc1nccc([N+](=O)[O-])c1O[C@H]1CCc2nccn2C1 ZINC001234905386 943970617 /nfs/dbraw/zinc/97/06/17/943970617.db2.gz PIMATWWZZNIUEJ-JTQLQIEISA-N 1 0 274.280 1.889 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC(CO)(CO)C1 ZINC001254538400 947515952 /nfs/dbraw/zinc/51/59/52/947515952.db2.gz UKSFGTNMWQKUNX-NSHDSACASA-N 1 0 294.351 1.249 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CN(C)C1 ZINC001254543544 947519184 /nfs/dbraw/zinc/51/91/84/947519184.db2.gz SSRDVIQAFTXQRQ-LLVKDONJSA-N 1 0 263.341 1.677 20 5 CDBDRO [NH3+]CCc1cnn([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254573562 947532532 /nfs/dbraw/zinc/53/25/32/947532532.db2.gz BWFUEUDNAWWOAN-AWEZNQCLSA-N 1 0 272.308 1.632 20 5 CDBDRO CC1(CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)OCCO1 ZINC001254576853 947532806 /nfs/dbraw/zinc/53/28/06/947532806.db2.gz AENCMPBHEFQDQD-CYBMUJFWSA-N 1 0 292.335 1.805 20 5 CDBDRO C[C@@]1(O)CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601388 947548914 /nfs/dbraw/zinc/54/89/14/947548914.db2.gz ZATHQKFFPKSXCW-HUUCEWRRSA-N 1 0 276.336 1.909 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@@H]1CCCC[NH2+]C1)C2 ZINC001246089415 947939513 /nfs/dbraw/zinc/93/95/13/947939513.db2.gz DWKWAIGAGCZCRJ-ZIAGYGMSSA-N 1 0 275.352 1.794 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246640251 948376230 /nfs/dbraw/zinc/37/62/30/948376230.db2.gz DUYZOBPZHDQGSB-TUKIKUTGSA-N 1 0 275.352 1.962 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCCC[C@]23CC[NH2+]C3)C1 ZINC001246641390 948377291 /nfs/dbraw/zinc/37/72/91/948377291.db2.gz DWZINMHWQHZZFE-MGPQQGTHSA-N 1 0 267.373 1.650 20 5 CDBDRO CC(C)[C@@H]1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]1 ZINC001246684452 948405412 /nfs/dbraw/zinc/40/54/12/948405412.db2.gz FRHHRRSZOKPHCW-CVEARBPZSA-N 1 0 289.379 1.992 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNc1c(C)cncc1[N+](=O)[O-] ZINC001324416061 953379157 /nfs/dbraw/zinc/37/91/57/953379157.db2.gz BPOHORVCKSCMMW-LLVKDONJSA-N 1 0 264.329 1.616 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC001326289424 954300926 /nfs/dbraw/zinc/30/09/26/954300926.db2.gz UOJHSYJWVLTALH-VIFPVBQESA-N 1 0 278.312 1.070 20 5 CDBDRO CS[C@@H]1CN(c2c(C)cncc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC001326433605 954379048 /nfs/dbraw/zinc/37/90/48/954379048.db2.gz MALZUWRYRUCYLZ-NWDGAFQWSA-N 1 0 296.396 1.780 20 5 CDBDRO [NH3+]C1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCCC1 ZINC001327120750 954717701 /nfs/dbraw/zinc/71/77/01/954717701.db2.gz KOMXWXAZIHPMML-UHFFFAOYSA-N 1 0 275.308 1.709 20 5 CDBDRO CC(C)C[NH2+]CC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001329464939 955930731 /nfs/dbraw/zinc/93/07/31/955930731.db2.gz CMLCGKHOUOKMKD-UHFFFAOYSA-N 1 0 294.355 1.369 20 5 CDBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC001308743096 956573256 /nfs/dbraw/zinc/57/32/56/956573256.db2.gz ZHFJSVGRFTYRJY-ONGXEEELSA-N 1 0 296.323 1.560 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC001332431734 957562410 /nfs/dbraw/zinc/56/24/10/957562410.db2.gz KKSKIVRXYHHDNG-AWEZNQCLSA-N 1 0 292.339 1.447 20 5 CDBDRO CCC[C@@]1(C(=O)OCC)CCCN1CC[N+](=O)[O-] ZINC001333001007 957999975 /nfs/dbraw/zinc/99/99/75/957999975.db2.gz CVZMMCUPBGAZAT-LBPRGKRZSA-N 1 0 258.318 1.461 20 5 CDBDRO CC[NH+](CC)C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC001318407071 958090269 /nfs/dbraw/zinc/09/02/69/958090269.db2.gz WYJVLAIXNAJAMW-UHFFFAOYSA-N 1 0 294.355 1.869 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001318681063 958225806 /nfs/dbraw/zinc/22/58/06/958225806.db2.gz ZHHNGBHDELRKPC-ZJUUUORDSA-N 1 0 267.333 1.613 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(Cc3cccnc3[N+](=O)[O-])C[C@@H]21 ZINC001334030966 958782208 /nfs/dbraw/zinc/78/22/08/958782208.db2.gz BMVAHXOSGMIAPK-PWSUYJOCSA-N 1 0 262.313 1.126 20 5 CDBDRO CSCC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001335344046 959726929 /nfs/dbraw/zinc/72/69/29/959726929.db2.gz ANFDMVJOKCRVMA-JTQLQIEISA-N 1 0 286.353 1.287 20 5 CDBDRO C[C@H](CC(C)(C)O)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001336781751 960578419 /nfs/dbraw/zinc/57/84/19/960578419.db2.gz VRTKAFJGQFVCNN-ZWNOBZJWSA-N 1 0 282.340 1.767 20 5 CDBDRO CC[NH+](CC)CCCNc1c(C)cncc1[N+](=O)[O-] ZINC001324006560 961101728 /nfs/dbraw/zinc/10/17/28/961101728.db2.gz WOYRQFHWUMSBRY-UHFFFAOYSA-N 1 0 266.345 1.864 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001337811027 961442104 /nfs/dbraw/zinc/44/21/04/961442104.db2.gz VULNDSNIQHLXMN-VXGBXAGGSA-N 1 0 276.340 1.759 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH2+]C1CC1 ZINC001341163775 963301806 /nfs/dbraw/zinc/30/18/06/963301806.db2.gz AOZXZYCKDJRXOY-UHFFFAOYSA-N 1 0 292.339 1.508 20 5 CDBDRO Cc1cc(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cc([N+](=O)[O-])c1 ZINC001342897705 963853605 /nfs/dbraw/zinc/85/36/05/963853605.db2.gz LXWRDZXEOAGBOX-GXTWGEPZSA-N 1 0 275.308 1.841 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@H]3CC[C@]32C[NH3+])cc1[N+](=O)[O-] ZINC001343015771 963884937 /nfs/dbraw/zinc/88/49/37/963884937.db2.gz WBHXTAJQBDYVQD-DOMZBBRYSA-N 1 0 289.335 1.857 20 5 CDBDRO C[C@H](NC(=O)[C@H]1C[C@@]12CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC001344790103 964427240 /nfs/dbraw/zinc/42/72/40/964427240.db2.gz USDWJMHYOVGLSE-PSOPSSQASA-N 1 0 289.335 1.772 20 5 CDBDRO C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001346527750 965157994 /nfs/dbraw/zinc/15/79/94/965157994.db2.gz YBLFHDJBVLFIKN-MWLCHTKSSA-N 1 0 278.312 1.317 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001358405383 969730760 /nfs/dbraw/zinc/73/07/60/969730760.db2.gz AOCBUUHWPPOEBE-GFCCVEGCSA-N 1 0 291.351 1.939 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC001521216973 970271052 /nfs/dbraw/zinc/27/10/52/970271052.db2.gz MKWDQYNNMAYYKL-BNQQVVLKSA-N 1 0 289.335 1.913 20 5 CDBDRO CC[C@]1(C(=O)Nc2ncc([N+](=O)[O-])cc2OC)CC[NH2+]C1 ZINC001577201092 1171620907 /nfs/dbraw/zinc/62/09/07/1171620907.db2.gz FFBJVPSYOTUYNJ-ZDUSSCGKSA-N 1 0 294.311 1.327 20 5 CDBDRO CCNc1ccc(C(=O)NC[C@@H]2CC[NH2+]2)cc1[N+](=O)[O-] ZINC001577902550 1171762911 /nfs/dbraw/zinc/76/29/11/1171762911.db2.gz SLTMZBGSKAHCRD-JTQLQIEISA-N 1 0 278.312 1.118 20 5 CDBDRO O=[N+]([O-])c1ccsc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599175460 343976100 /nfs/dbraw/zinc/97/61/00/343976100.db2.gz BWUHRWAZIUDCGS-MRVPVSSYSA-N 1 0 257.315 1.135 20 5 CDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1c([N+](=O)[O-])ncn1C ZINC000588085489 342492428 /nfs/dbraw/zinc/49/24/28/342492428.db2.gz LFPQBBJQDIMNKL-GHMZBOCLSA-N 1 0 279.344 1.391 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N(CC[NH+](C)C)C1CCCC1 ZINC000589692349 342512080 /nfs/dbraw/zinc/51/20/80/342512080.db2.gz FCJPZOIGWMKRJB-UHFFFAOYSA-N 1 0 281.360 1.639 20 5 CDBDRO CCC[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000601291910 342549771 /nfs/dbraw/zinc/54/97/71/342549771.db2.gz PIVAKUKVQCLXBE-MCIONIFRSA-N 1 0 280.324 1.785 20 5 CDBDRO CC[C@H](O)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000124670054 187148359 /nfs/dbraw/zinc/14/83/59/187148359.db2.gz ZVCLTTPJBSPOTL-JTQLQIEISA-N 1 0 254.286 1.464 20 5 CDBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000590579889 342577422 /nfs/dbraw/zinc/57/74/22/342577422.db2.gz XXRUTUMMTHTASX-JTQLQIEISA-N 1 0 279.344 1.280 20 5 CDBDRO CC[C@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000590646765 342581070 /nfs/dbraw/zinc/58/10/70/342581070.db2.gz IYAWLBDBVRDFNL-PWSUYJOCSA-N 1 0 268.317 1.339 20 5 CDBDRO CC1CC[NH+](CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000046957152 342091067 /nfs/dbraw/zinc/09/10/67/342091067.db2.gz MWYJWWBKENMDGH-UHFFFAOYSA-N 1 0 280.328 1.385 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]CC2(C)C)c1 ZINC000591678325 342641487 /nfs/dbraw/zinc/64/14/87/342641487.db2.gz NUHBHAVJHWYUJZ-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO CC[N@H+](CCSC)CCn1cc([N+](=O)[O-])cn1 ZINC000592199663 342676537 /nfs/dbraw/zinc/67/65/37/342676537.db2.gz IEDCLGGNIFRXCQ-UHFFFAOYSA-N 1 0 258.347 1.476 20 5 CDBDRO CCN1C[C@H](C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000593684833 342822279 /nfs/dbraw/zinc/82/22/79/342822279.db2.gz BGXKAKPIDCKUHY-ZDUSSCGKSA-N 1 0 291.351 1.861 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000080391975 342210770 /nfs/dbraw/zinc/21/07/70/342210770.db2.gz BVNMBTKEKYXZSB-UHFFFAOYSA-N 1 0 291.311 1.105 20 5 CDBDRO C[C@@H](Cn1cccn1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269642934 190526379 /nfs/dbraw/zinc/52/63/79/190526379.db2.gz CPSMXCGFMGRANY-FZMZJTMJSA-N 1 0 290.323 1.503 20 5 CDBDRO C[C@@H](O)CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000594065725 342870299 /nfs/dbraw/zinc/87/02/99/342870299.db2.gz UBMUIEMHGCKOSJ-SECBINFHSA-N 1 0 290.323 1.816 20 5 CDBDRO CC(C)[C@H]1C[NH2+]CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000600713967 342244028 /nfs/dbraw/zinc/24/40/28/342244028.db2.gz HNPUOIAEUHJVRI-CQSZACIVSA-N 1 0 293.367 1.903 20 5 CDBDRO CCN(CC[NH3+])CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600717931 342244518 /nfs/dbraw/zinc/24/45/18/342244518.db2.gz UIVBKXAIYLHEET-UHFFFAOYSA-N 1 0 280.328 1.204 20 5 CDBDRO CCN(CC[NH3+])Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000600775167 342248515 /nfs/dbraw/zinc/24/85/15/342248515.db2.gz LLJSDPVHXDIKNZ-UHFFFAOYSA-N 1 0 281.312 1.147 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594601287 342923747 /nfs/dbraw/zinc/92/37/47/342923747.db2.gz NICQIZYANLEYHZ-GHMZBOCLSA-N 1 0 279.344 1.757 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)nc1 ZINC000594600456 342930030 /nfs/dbraw/zinc/93/00/30/342930030.db2.gz LIWFZFLZYRDBSJ-NEPJUHHUSA-N 1 0 277.328 1.814 20 5 CDBDRO COCC[N@@H+]1CCC[C@H](Nc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000080601190 342268208 /nfs/dbraw/zinc/26/82/08/342268208.db2.gz YHQYLLQJJYGOHQ-LBPRGKRZSA-N 1 0 294.355 1.821 20 5 CDBDRO CC(C)(C)[C@@H]([NH3+])c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594651642 342932977 /nfs/dbraw/zinc/93/29/77/342932977.db2.gz FDEIQLSZWYKQPU-LBPRGKRZSA-N 1 0 291.311 1.927 20 5 CDBDRO CC(C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000594715033 342946716 /nfs/dbraw/zinc/94/67/16/342946716.db2.gz XHLUWGTWVDZQQM-NSHDSACASA-N 1 0 282.344 1.370 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@]1(O)CCOC1 ZINC000595036584 342997882 /nfs/dbraw/zinc/99/78/82/342997882.db2.gz SFQITFSYCDYJSS-YGRLFVJLSA-N 1 0 296.323 1.405 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000595262667 343014845 /nfs/dbraw/zinc/01/48/45/343014845.db2.gz AARVYILPYXSLHZ-SNVBAGLBSA-N 1 0 280.328 1.044 20 5 CDBDRO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075021217 342306634 /nfs/dbraw/zinc/30/66/34/342306634.db2.gz LGINNPRIFUQOIZ-NTZNESFSSA-N 1 0 282.344 1.415 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000230379954 349777251 /nfs/dbraw/zinc/77/72/51/349777251.db2.gz AUNCUKUXIWIIIJ-CYBMUJFWSA-N 1 0 282.344 1.337 20 5 CDBDRO Cc1noc(CN2CCC[C@@H]2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000595308602 343032192 /nfs/dbraw/zinc/03/21/92/343032192.db2.gz LCYKOCLCBTZABW-GFCCVEGCSA-N 1 0 294.355 1.951 20 5 CDBDRO Cc1noc(CN2CC[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000595321050 343035341 /nfs/dbraw/zinc/03/53/41/343035341.db2.gz VWUAHDZUUZOHTI-SNVBAGLBSA-N 1 0 268.317 1.275 20 5 CDBDRO CC1(C)C[C@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CO1 ZINC000595481989 343065228 /nfs/dbraw/zinc/06/52/28/343065228.db2.gz QFWDESPLCJXGTH-LBPRGKRZSA-N 1 0 294.355 1.996 20 5 CDBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000076268877 342320361 /nfs/dbraw/zinc/32/03/61/342320361.db2.gz MMEHOIUJDRFNHO-NXEZZACHSA-N 1 0 294.359 1.499 20 5 CDBDRO [NH3+][C@H]1C[C@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595938467 343202702 /nfs/dbraw/zinc/20/27/02/343202702.db2.gz XVAPCNOOYKFWBB-JOCQHMNTSA-N 1 0 291.351 1.771 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595920259 343191638 /nfs/dbraw/zinc/19/16/38/343191638.db2.gz PINNDNYOZRERSN-BXKDBHETSA-N 1 0 265.313 1.770 20 5 CDBDRO C[NH2+]C[C@@H](C)N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000596107155 343228842 /nfs/dbraw/zinc/22/88/42/343228842.db2.gz SBBKRTUUHLWEGW-GHMZBOCLSA-N 1 0 294.355 1.509 20 5 CDBDRO COCC[N@@H+]1CCC[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596116612 343231965 /nfs/dbraw/zinc/23/19/65/343231965.db2.gz ODDSKBZSZSSRGW-SNVBAGLBSA-N 1 0 296.327 1.218 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC(C[NH+](C)C)C1 ZINC000596247449 343286544 /nfs/dbraw/zinc/28/65/44/343286544.db2.gz OURKIFAJCFQRNN-UHFFFAOYSA-N 1 0 267.333 1.117 20 5 CDBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@H]1C ZINC000596171881 343259165 /nfs/dbraw/zinc/25/91/65/343259165.db2.gz FQQUUFAHPVYXQV-SNVBAGLBSA-N 1 0 292.339 1.224 20 5 CDBDRO Cc1c([C@H](C)[NH2+]C[C@@]2(O)CCOC2)cccc1[N+](=O)[O-] ZINC000090848500 342397590 /nfs/dbraw/zinc/39/75/90/342397590.db2.gz GZUMDJTWDBLLTP-FZMZJTMJSA-N 1 0 280.324 1.705 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000295005372 199296255 /nfs/dbraw/zinc/29/62/55/199296255.db2.gz RXKKYDWVBXJNTP-ZDUSSCGKSA-N 1 0 279.340 1.854 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000597698212 343614855 /nfs/dbraw/zinc/61/48/55/343614855.db2.gz GWSUSYICGIWCMR-MWLCHTKSSA-N 1 0 280.328 1.098 20 5 CDBDRO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597922647 343662488 /nfs/dbraw/zinc/66/24/88/343662488.db2.gz JYCJRBIHBQYXQT-SECBINFHSA-N 1 0 295.343 1.229 20 5 CDBDRO COc1ccc(C(=O)NCC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000598000930 343685699 /nfs/dbraw/zinc/68/56/99/343685699.db2.gz VSDZYWKZFVAHKW-SNVBAGLBSA-N 1 0 295.339 1.673 20 5 CDBDRO Cc1cccc(C(=O)N2CC[NH2+][C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598575395 343833330 /nfs/dbraw/zinc/83/33/30/343833330.db2.gz PJOZPIOBPGDTSL-ZDUSSCGKSA-N 1 0 291.351 1.973 20 5 CDBDRO CC1CC(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000598728444 343887391 /nfs/dbraw/zinc/88/73/91/343887391.db2.gz CANIYGWZPTWDFH-ORHYLEIMSA-N 1 0 294.351 1.970 20 5 CDBDRO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)CC(F)F ZINC000599022279 343941176 /nfs/dbraw/zinc/94/11/76/343941176.db2.gz KAWSJUHRVDNTSV-UHFFFAOYSA-N 1 0 273.283 1.881 20 5 CDBDRO CC[NH2+]CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598916276 343920168 /nfs/dbraw/zinc/92/01/68/343920168.db2.gz WDLSLDJRWGYYTI-UHFFFAOYSA-N 1 0 270.264 1.465 20 5 CDBDRO C[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599085237 343951099 /nfs/dbraw/zinc/95/10/99/343951099.db2.gz NJSRDGBWUWFUDJ-BXUZGUMPSA-N 1 0 279.340 1.312 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000612108272 347023401 /nfs/dbraw/zinc/02/34/01/347023401.db2.gz VHAQYTPGSCOXRN-UPJWGTAASA-N 1 0 292.335 1.819 20 5 CDBDRO CCN(CC[NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000599589363 344094646 /nfs/dbraw/zinc/09/46/46/344094646.db2.gz RVVQKBGJTJFFOW-UHFFFAOYSA-N 1 0 266.301 1.716 20 5 CDBDRO C[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000602085354 344329611 /nfs/dbraw/zinc/32/96/11/344329611.db2.gz PMVIBHUYMQNZFC-SECBINFHSA-N 1 0 251.286 1.161 20 5 CDBDRO Cc1c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000601973924 344301523 /nfs/dbraw/zinc/30/15/23/344301523.db2.gz DYJASTHEUVUOFP-BETUJISGSA-N 1 0 262.309 1.981 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602432605 344424508 /nfs/dbraw/zinc/42/45/08/344424508.db2.gz IMYDSIKUQGUXEU-SECBINFHSA-N 1 0 269.276 1.447 20 5 CDBDRO CSc1ccc(C(=O)N2C[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000602596775 344502618 /nfs/dbraw/zinc/50/26/18/344502618.db2.gz QZZWUZQOLUGIHV-PSASIEDQSA-N 1 0 295.364 1.878 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H]([NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000602598582 344504000 /nfs/dbraw/zinc/50/40/00/344504000.db2.gz LBAWXURYBVECNM-GXSJLCMTSA-N 1 0 263.297 1.465 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602481438 344447343 /nfs/dbraw/zinc/44/73/43/344447343.db2.gz KESGYZFTKQKJKC-RKDXNWHRSA-N 1 0 281.287 1.543 20 5 CDBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1c(F)cccc1[N+](=O)[O-] ZINC000602492144 344450861 /nfs/dbraw/zinc/45/08/61/344450861.db2.gz SMPTWYCEEIFKTD-LLVKDONJSA-N 1 0 293.298 1.606 20 5 CDBDRO CCc1ccc(C(=O)N(CC)CC[NH3+])cc1[N+](=O)[O-] ZINC000602533808 344470035 /nfs/dbraw/zinc/47/00/35/344470035.db2.gz DXASCEOPGYZPBP-UHFFFAOYSA-N 1 0 265.313 1.578 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602593292 344481391 /nfs/dbraw/zinc/48/13/91/344481391.db2.gz ZAUPGUZHATYOOZ-BETUJISGSA-N 1 0 289.335 1.490 20 5 CDBDRO C[C@@H]1COCCN1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602593637 344481469 /nfs/dbraw/zinc/48/14/69/344481469.db2.gz MAUHRZBPKQAKOF-CYBMUJFWSA-N 1 0 293.367 1.448 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CO)CCF)cc1 ZINC000602714543 344554992 /nfs/dbraw/zinc/55/49/92/344554992.db2.gz ZLTGDNDGYDMNDQ-LLVKDONJSA-N 1 0 256.277 1.447 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000602801111 344590652 /nfs/dbraw/zinc/59/06/52/344590652.db2.gz ZUUADOHEEMDOPQ-QWRGUYRKSA-N 1 0 281.360 1.124 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000602800353 344590806 /nfs/dbraw/zinc/59/08/06/344590806.db2.gz LPPWBYXFSLGVLI-OLZOCXBDSA-N 1 0 294.355 1.458 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1cncc(F)c1 ZINC000602803856 344592356 /nfs/dbraw/zinc/59/23/56/344592356.db2.gz GRYCXSBJIGRUFI-VIFPVBQESA-N 1 0 293.302 1.985 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]([NH+](C)C)CC1 ZINC000602818480 344607969 /nfs/dbraw/zinc/60/79/69/344607969.db2.gz DSWPQUZMGCLABG-ZDUSSCGKSA-N 1 0 295.387 1.516 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@H]2CSCC[NH2+]2)c(F)c1 ZINC000603418288 344807624 /nfs/dbraw/zinc/80/76/24/344807624.db2.gz FQDIWAVNZPFOJL-QMMMGPOBSA-N 1 0 271.317 1.851 20 5 CDBDRO C[C@@H](Cn1cncn1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000604532670 344898341 /nfs/dbraw/zinc/89/83/41/344898341.db2.gz OJBDGTVOXHYIOQ-JTQLQIEISA-N 1 0 261.285 1.365 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000159725310 362511147 /nfs/dbraw/zinc/51/11/47/362511147.db2.gz CVKOELGMMRBLJA-UHFFFAOYSA-N 1 0 287.319 1.889 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H](C[NH3+])C1CC1 ZINC000159796068 362522541 /nfs/dbraw/zinc/52/25/41/362522541.db2.gz KJGPXIHXBQJPJR-LBPRGKRZSA-N 1 0 281.287 1.543 20 5 CDBDRO [NH3+][C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000129183217 362530992 /nfs/dbraw/zinc/53/09/92/362530992.db2.gz CGZQWIXLGZTZBD-QMMMGPOBSA-N 1 0 255.299 1.123 20 5 CDBDRO CC(C)[NH+]1CCC(Nc2c([N+](=O)[O-])ncn2C)CC1 ZINC000070790684 345302780 /nfs/dbraw/zinc/30/27/80/345302780.db2.gz RHSZWKZJUKJWLW-UHFFFAOYSA-N 1 0 267.333 1.613 20 5 CDBDRO Cc1n[nH]c(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000609583373 345819147 /nfs/dbraw/zinc/81/91/47/345819147.db2.gz CWNFABYHUGQHPQ-QMMMGPOBSA-N 1 0 295.343 1.086 20 5 CDBDRO C[N@H+](CCCO)C1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000609670948 345988733 /nfs/dbraw/zinc/98/87/33/345988733.db2.gz UDEXXGSSAVUOPL-UHFFFAOYSA-N 1 0 299.396 1.939 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000089106668 346123922 /nfs/dbraw/zinc/12/39/22/346123922.db2.gz YVNLPMUXYYLOKO-JQWIXIFHSA-N 1 0 277.324 1.842 20 5 CDBDRO Cn1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1=O ZINC000051383375 346314055 /nfs/dbraw/zinc/31/40/55/346314055.db2.gz BYCXFIJLTWUFIE-UHFFFAOYSA-N 1 0 287.319 1.926 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000086467347 362711056 /nfs/dbraw/zinc/71/10/56/362711056.db2.gz GNWJOFFDEWVEEU-ZJUUUORDSA-N 1 0 263.297 1.417 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000086470150 362712112 /nfs/dbraw/zinc/71/21/12/362712112.db2.gz PMFMDZMVZBOMAV-MNOVXSKESA-N 1 0 279.340 1.786 20 5 CDBDRO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C[N@@H+]1C1CC1 ZINC000133534789 362763780 /nfs/dbraw/zinc/76/37/80/362763780.db2.gz IZCSFWGORUOIHQ-YUMQZZPRSA-N 1 0 278.316 1.004 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)CC2CC2)cs1 ZINC000611108214 346610118 /nfs/dbraw/zinc/61/01/18/346610118.db2.gz HQXJPVRIHYGJNK-SNVBAGLBSA-N 1 0 256.327 1.907 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(c2ncccc2[N+](=O)[O-])C[C@@H]1C ZINC000611222046 346696224 /nfs/dbraw/zinc/69/62/24/346696224.db2.gz PWKFTLDEXJTQJU-WDEREUQCSA-N 1 0 264.329 1.909 20 5 CDBDRO CC[N@H+](C)CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000066958631 347548307 /nfs/dbraw/zinc/54/83/07/347548307.db2.gz NKGYQINSVWBCPG-UHFFFAOYSA-N 1 0 265.313 1.205 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[C@H]1C[NH+]1CCCC1 ZINC000614518085 348133172 /nfs/dbraw/zinc/13/31/72/348133172.db2.gz VZUCGJJMMIXRSF-NSHDSACASA-N 1 0 279.344 1.393 20 5 CDBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000129350196 362897062 /nfs/dbraw/zinc/89/70/62/362897062.db2.gz AUYJCRCQTFMZPI-RYUDHWBXSA-N 1 0 250.298 1.844 20 5 CDBDRO Cc1c(C(=O)NC[C@@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000025149382 348620143 /nfs/dbraw/zinc/62/01/43/348620143.db2.gz LPQAGRREBSXTTC-SECBINFHSA-N 1 0 265.313 1.583 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344554132 362937038 /nfs/dbraw/zinc/93/70/38/362937038.db2.gz GIQCNBHJWVFLCP-SECBINFHSA-N 1 0 281.287 1.415 20 5 CDBDRO C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)[NH+](C)C ZINC000069006594 349086789 /nfs/dbraw/zinc/08/67/89/349086789.db2.gz UERXGAIECNPMJH-SECBINFHSA-N 1 0 299.302 1.179 20 5 CDBDRO C[C@@H](O)CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000072713008 349129771 /nfs/dbraw/zinc/12/97/71/349129771.db2.gz CQRHBULFKLUPLM-MNOVXSKESA-N 1 0 295.339 1.625 20 5 CDBDRO COC[C@H](O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090953146 180073258 /nfs/dbraw/zinc/07/32/58/180073258.db2.gz WWIHGFBXRVRQKH-GXFFZTMASA-N 1 0 268.313 1.643 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CCC[NH2+]C1 ZINC000110791675 186324434 /nfs/dbraw/zinc/32/44/34/186324434.db2.gz ZRDDFYDZSXQLQJ-ZDUSSCGKSA-N 1 0 291.351 1.643 20 5 CDBDRO C[C@@H](CNCc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000291698334 198062209 /nfs/dbraw/zinc/06/22/09/198062209.db2.gz JVRRVMXWOHOHCE-NSHDSACASA-N 1 0 251.330 1.882 20 5 CDBDRO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000122615132 187040985 /nfs/dbraw/zinc/04/09/85/187040985.db2.gz UPDWYDZJAYOLCM-NEPJUHHUSA-N 1 0 279.340 1.734 20 5 CDBDRO CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000153471236 188084126 /nfs/dbraw/zinc/08/41/26/188084126.db2.gz ZQZYBNDBGOEZFU-ZDUSSCGKSA-N 1 0 291.351 1.690 20 5 CDBDRO CN(C(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000153466639 188084518 /nfs/dbraw/zinc/08/45/18/188084518.db2.gz HDOVIIRNHOURIN-NSHDSACASA-N 1 0 277.324 1.761 20 5 CDBDRO COC(=O)c1cc(NC(=O)[C@H]([NH3+])C(C)C)cc([N+](=O)[O-])c1 ZINC000153825484 188106649 /nfs/dbraw/zinc/10/66/49/188106649.db2.gz QJGQFRGFHREWFY-LLVKDONJSA-N 1 0 295.295 1.303 20 5 CDBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000155104426 188183489 /nfs/dbraw/zinc/18/34/89/188183489.db2.gz FYHPNXLQCQPYRD-WDEREUQCSA-N 1 0 293.323 1.548 20 5 CDBDRO Cc1ccc(C[N@@H+]2CC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000157116174 188297910 /nfs/dbraw/zinc/29/79/10/188297910.db2.gz ZTKPJIZTUACAII-NSHDSACASA-N 1 0 263.297 1.210 20 5 CDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159131068 188409943 /nfs/dbraw/zinc/40/99/43/188409943.db2.gz MPXJYLZBYJSMLK-CQSZACIVSA-N 1 0 293.298 1.560 20 5 CDBDRO CCc1ccc(C(=O)N[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000159289931 188418938 /nfs/dbraw/zinc/41/89/38/188418938.db2.gz YUFLCYDJRLXZNX-GFCCVEGCSA-N 1 0 277.324 1.624 20 5 CDBDRO C[C@@H]([NH2+]CC(=O)N1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000271712194 191287885 /nfs/dbraw/zinc/28/78/85/191287885.db2.gz WAMRPLUZCUVVOZ-SNVBAGLBSA-N 1 0 263.297 1.478 20 5 CDBDRO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000279821038 363308459 /nfs/dbraw/zinc/30/84/59/363308459.db2.gz QLHBWWXNNBTHIL-GFCCVEGCSA-N 1 0 250.298 1.798 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365356614 363349124 /nfs/dbraw/zinc/34/91/24/363349124.db2.gz PHWGAKCPCZZPMT-BDAKNGLRSA-N 1 0 281.337 1.480 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000290788022 358493927 /nfs/dbraw/zinc/49/39/27/358493927.db2.gz XDOZUOCMGFRCFZ-MRVPVSSYSA-N 1 0 268.321 1.108 20 5 CDBDRO C[NH+](C)Cc1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1 ZINC000558737024 356043085 /nfs/dbraw/zinc/04/30/85/356043085.db2.gz PXSCUHUKQNXNOT-UHFFFAOYSA-N 1 0 289.295 1.632 20 5 CDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000273021412 192021585 /nfs/dbraw/zinc/02/15/85/192021585.db2.gz UAMAWJHYRMAOIL-NSHDSACASA-N 1 0 289.335 1.975 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)c(F)c1 ZINC000336808364 356272757 /nfs/dbraw/zinc/27/27/57/356272757.db2.gz BROFZHQCBWSCOH-SKDRFNHKSA-N 1 0 268.288 1.985 20 5 CDBDRO CC(C)N1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000131880497 356292621 /nfs/dbraw/zinc/29/26/21/356292621.db2.gz BBBJKCGKPNZGRI-UHFFFAOYSA-N 1 0 295.314 1.900 20 5 CDBDRO CN(c1ncc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286448815 356422718 /nfs/dbraw/zinc/42/27/18/356422718.db2.gz RUFSIZJLLNDOKP-ZACCUICWSA-N 1 0 277.328 1.446 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000267894759 363560113 /nfs/dbraw/zinc/56/01/13/363560113.db2.gz VPGOWWWZJDJUSW-UHFFFAOYSA-N 1 0 290.323 1.710 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000159041939 357211846 /nfs/dbraw/zinc/21/18/46/357211846.db2.gz NUMRDCNJWLLXNR-HNNXBMFYSA-N 1 0 289.335 1.729 20 5 CDBDRO COc1c(C(=O)NC[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000341329767 357227270 /nfs/dbraw/zinc/22/72/70/357227270.db2.gz TVUDYAJMWZTJTK-SNVBAGLBSA-N 1 0 295.339 1.531 20 5 CDBDRO C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000408071757 357281949 /nfs/dbraw/zinc/28/19/49/357281949.db2.gz LIUJXKDSGMRVEU-WDEREUQCSA-N 1 0 277.324 1.759 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000261838031 357332061 /nfs/dbraw/zinc/33/20/61/357332061.db2.gz VZEPYXZRHDMUJL-JTQLQIEISA-N 1 0 265.313 1.252 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135242555 357802770 /nfs/dbraw/zinc/80/27/70/357802770.db2.gz PRBBFCLGSZWMEP-UHFFFAOYSA-N 1 0 279.340 1.771 20 5 CDBDRO Cc1cc(N(C)CCN2CC[NH2+]CC2)c([N+](=O)[O-])s1 ZINC001579618399 1172225814 /nfs/dbraw/zinc/22/58/14/1172225814.db2.gz OGFFYJSWYZXJPY-UHFFFAOYSA-N 1 0 284.385 1.306 20 5 CDBDRO CO[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000188127728 357849549 /nfs/dbraw/zinc/84/95/49/357849549.db2.gz XQQPDRLZDXFREQ-WDEREUQCSA-N 1 0 295.339 1.936 20 5 CDBDRO CC(C)([NH3+])CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000084186072 357877735 /nfs/dbraw/zinc/87/77/35/357877735.db2.gz FDELMVYAFAARRA-UHFFFAOYSA-N 1 0 251.286 1.338 20 5 CDBDRO Cc1cc(NCC[NH+]2CCSCC2)ncc1[N+](=O)[O-] ZINC000220207266 358044017 /nfs/dbraw/zinc/04/40/17/358044017.db2.gz ACQWBOWPJXETRR-UHFFFAOYSA-N 1 0 282.369 1.759 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(CO)COC1)CCC2 ZINC000193037060 358259860 /nfs/dbraw/zinc/25/98/60/358259860.db2.gz NKWIAQDHBUYPCP-AWEZNQCLSA-N 1 0 292.335 1.571 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)cc1[N+](=O)[O-] ZINC000193621281 358309774 /nfs/dbraw/zinc/30/97/74/358309774.db2.gz NQLUFYRUWDYWBD-RNCFNFMXSA-N 1 0 293.323 1.218 20 5 CDBDRO COC[C@](C)([NH3+])CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000287258423 358354104 /nfs/dbraw/zinc/35/41/04/358354104.db2.gz KPFJEWFVPDNCFA-LLVKDONJSA-N 1 0 297.340 1.375 20 5 CDBDRO Cc1sc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000195224394 358420597 /nfs/dbraw/zinc/42/05/97/358420597.db2.gz MQTGIAIWMLJHHQ-DTORHVGOSA-N 1 0 281.337 1.256 20 5 CDBDRO C[C@@H]([NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000159144267 358668492 /nfs/dbraw/zinc/66/84/92/358668492.db2.gz OBCAAHSOFDQNJW-SNVBAGLBSA-N 1 0 265.313 1.381 20 5 CDBDRO CCCN(CCn1ccc([N+](=O)[O-])n1)CC(F)F ZINC000176221768 358740987 /nfs/dbraw/zinc/74/09/87/358740987.db2.gz JCZHKLFCYFZTCK-UHFFFAOYSA-N 1 0 262.260 1.768 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000186789260 358825042 /nfs/dbraw/zinc/82/50/42/358825042.db2.gz WSAVPGAZPGZNJW-VXNVDRBHSA-N 1 0 269.326 1.384 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000264968143 358799610 /nfs/dbraw/zinc/79/96/10/358799610.db2.gz YJJNBQJFPWCAPQ-GFCCVEGCSA-N 1 0 293.371 1.346 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000186865425 358833351 /nfs/dbraw/zinc/83/33/51/358833351.db2.gz ZJUQZXHZVAGQEQ-MFKMUULPSA-N 1 0 277.324 1.252 20 5 CDBDRO CCC(O)(CC)C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000101596105 358854095 /nfs/dbraw/zinc/85/40/95/358854095.db2.gz HOHPCXYGXDNRFJ-UHFFFAOYSA-N 1 0 298.339 1.950 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000104140487 358947640 /nfs/dbraw/zinc/94/76/40/358947640.db2.gz ZZUPBLOOUSFSLH-UHFFFAOYSA-N 1 0 294.355 1.557 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)s1 ZINC000299928048 359083528 /nfs/dbraw/zinc/08/35/28/359083528.db2.gz CLCMCCQDIYMERV-DTWKUNHWSA-N 1 0 284.341 1.326 20 5 CDBDRO C[NH2+]CCCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000338335617 359120758 /nfs/dbraw/zinc/12/07/58/359120758.db2.gz KAUBKUXHXUFTSR-UHFFFAOYSA-N 1 0 266.301 1.634 20 5 CDBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000267258835 359196746 /nfs/dbraw/zinc/19/67/46/359196746.db2.gz FUCGRBAIINKWQS-UWVGGRQHSA-N 1 0 280.328 1.526 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CC(C3CCCC3)C2)c1 ZINC000366507930 363629584 /nfs/dbraw/zinc/62/95/84/363629584.db2.gz WPJQEDQZKZEZDO-CQSZACIVSA-N 1 0 294.355 1.274 20 5 CDBDRO CCC(CC)(C[NH3+])NC(=O)c1csc([N+](=O)[O-])c1 ZINC000111831228 359267137 /nfs/dbraw/zinc/26/71/37/359267137.db2.gz STRAFKNQLOOASC-UHFFFAOYSA-N 1 0 271.342 1.904 20 5 CDBDRO CC[NH+](CC)CCCNc1ncc([N+](=O)[O-])c(C)n1 ZINC000296559280 199931759 /nfs/dbraw/zinc/93/17/59/199931759.db2.gz PJWCIMJFVXORKW-UHFFFAOYSA-N 1 0 267.333 1.837 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000044559603 283460840 /nfs/dbraw/zinc/46/08/40/283460840.db2.gz YSKTWBDGZUXDJR-QMMMGPOBSA-N 1 0 281.341 1.622 20 5 CDBDRO CC(C)[C@H]([NH3+])C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000297281468 200133370 /nfs/dbraw/zinc/13/33/70/200133370.db2.gz BXKHPMYZPOVELV-LBPRGKRZSA-N 1 0 263.297 1.467 20 5 CDBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C1CC1)C1CC1 ZINC000075676263 359913909 /nfs/dbraw/zinc/91/39/09/359913909.db2.gz OFLOOEOZBCVKJQ-ZDUSSCGKSA-N 1 0 294.355 1.273 20 5 CDBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H]1C[NH3+] ZINC000397280912 359935864 /nfs/dbraw/zinc/93/58/64/359935864.db2.gz SAPCIMMODRELFE-MXWKQRLJSA-N 1 0 294.355 1.379 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000089091364 283512932 /nfs/dbraw/zinc/51/29/32/283512932.db2.gz XFOIRGXGPVPNAO-PWSUYJOCSA-N 1 0 263.297 1.452 20 5 CDBDRO C[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])S(C)(=O)=O ZINC000573137420 360202068 /nfs/dbraw/zinc/20/20/68/360202068.db2.gz NNNNMKXJBJZIFM-BXKDBHETSA-N 1 0 298.364 1.605 20 5 CDBDRO C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@@H+](C2CCC2)C1 ZINC000572338652 360372514 /nfs/dbraw/zinc/37/25/14/360372514.db2.gz NKFHGUZSWZECFW-LLVKDONJSA-N 1 0 293.371 1.639 20 5 CDBDRO COc1ccc(C[N@H+](C)CC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000075783596 360463460 /nfs/dbraw/zinc/46/34/60/360463460.db2.gz AAPPEZREPWTBPO-SNVBAGLBSA-N 1 0 268.313 1.806 20 5 CDBDRO COc1ccc(C[N@H+](C)CC[C@H](C)O)cc1[N+](=O)[O-] ZINC000075783594 360464033 /nfs/dbraw/zinc/46/40/33/360464033.db2.gz AAPPEZREPWTBPO-JTQLQIEISA-N 1 0 268.313 1.806 20 5 CDBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCO)CC2)cc1 ZINC000177823742 189072363 /nfs/dbraw/zinc/07/23/63/189072363.db2.gz XCDVCUORMKMNHH-UHFFFAOYSA-N 1 0 266.297 1.430 20 5 CDBDRO CNC(=O)CC[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179408370 189192829 /nfs/dbraw/zinc/19/28/29/189192829.db2.gz QBPODRSFFSLTSB-FNORWQNLSA-N 1 0 277.324 1.676 20 5 CDBDRO CCOC[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000383922528 361188850 /nfs/dbraw/zinc/18/88/50/361188850.db2.gz SJOHXRUEPIWXDW-GFCCVEGCSA-N 1 0 284.312 1.090 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2COC[C@H]2O)cc1[N+](=O)[O-] ZINC000295835505 370682942 /nfs/dbraw/zinc/68/29/42/370682942.db2.gz DAIBJHXKOMYXKR-IRUJWGPZSA-N 1 0 266.297 1.314 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]1)Nc1cccc([N+](=O)[O-])c1 ZINC000053254342 361402877 /nfs/dbraw/zinc/40/28/77/361402877.db2.gz WBFGRWDFGKBGFU-SNVBAGLBSA-N 1 0 264.285 1.468 20 5 CDBDRO CN(C(=O)Cc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000036282993 361421235 /nfs/dbraw/zinc/42/12/35/361421235.db2.gz FPOYKXPXALITHL-UHFFFAOYSA-N 1 0 277.324 1.348 20 5 CDBDRO COCCC[N@H+](C)CCNc1ncc([N+](=O)[O-])s1 ZINC000192465436 361680194 /nfs/dbraw/zinc/68/01/94/361680194.db2.gz QRXFZZICYQGKSY-UHFFFAOYSA-N 1 0 274.346 1.432 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000168627891 364031338 /nfs/dbraw/zinc/03/13/38/364031338.db2.gz ZDSSAJHIAAOYEV-GHMZBOCLSA-N 1 0 279.340 1.773 20 5 CDBDRO COc1ccc([C@H](C[NH3+])Cn2cnc([N+](=O)[O-])c2)cc1 ZINC000518766765 364103602 /nfs/dbraw/zinc/10/36/02/364103602.db2.gz RALJGWREAGGZJY-LLVKDONJSA-N 1 0 276.296 1.542 20 5 CDBDRO CC[C@](C)(O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000249429476 364692857 /nfs/dbraw/zinc/69/28/57/364692857.db2.gz YUARZVCDOASBBU-RISCZKNCSA-N 1 0 294.355 1.637 20 5 CDBDRO CC(C)C[C@H]([NH3+])c1noc(-c2c([N+](=O)[O-])cnn2C)n1 ZINC000414614145 241278348 /nfs/dbraw/zinc/27/83/48/241278348.db2.gz GPRDTODAWABWFT-ZETCQYMHSA-N 1 0 280.288 1.424 20 5 CDBDRO COc1cc(CN[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000414868927 241429753 /nfs/dbraw/zinc/42/97/53/241429753.db2.gz QJAHAMZRYHDDRN-NSHDSACASA-N 1 0 295.339 1.454 20 5 CDBDRO C[C@H](O)[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000386961187 367154215 /nfs/dbraw/zinc/15/42/15/367154215.db2.gz YZKRSPJXOHAWNZ-UWVGGRQHSA-N 1 0 254.286 1.333 20 5 CDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(C)C ZINC000090517088 367470416 /nfs/dbraw/zinc/47/04/16/367470416.db2.gz WGNDUPZTUDZUKQ-UHFFFAOYSA-N 1 0 267.329 1.734 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000089090816 368861970 /nfs/dbraw/zinc/86/19/70/368861970.db2.gz CKYVEOLAVILGQZ-APPZFPTMSA-N 1 0 269.326 1.514 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000420278347 244015477 /nfs/dbraw/zinc/01/54/77/244015477.db2.gz IYKKJUSMFXOEDA-IUCAKERBSA-N 1 0 253.306 1.258 20 5 CDBDRO C[C@@H]1C[N@H+](C)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000330666382 203094722 /nfs/dbraw/zinc/09/47/22/203094722.db2.gz ICGYTYMESLPDPQ-GFCCVEGCSA-N 1 0 279.340 1.610 20 5 CDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H](O)C[NH3+] ZINC000420350672 244124964 /nfs/dbraw/zinc/12/49/64/244124964.db2.gz HPHHEOGAQPOETP-ZDUSSCGKSA-N 1 0 297.355 1.133 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000168696915 370970145 /nfs/dbraw/zinc/97/01/45/370970145.db2.gz WBCITZREHFLSTO-QMMMGPOBSA-N 1 0 285.731 1.928 20 5 CDBDRO CCN(CCC[NH+](C)C)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000276269530 193266309 /nfs/dbraw/zinc/26/63/09/193266309.db2.gz SXWCZGDRZZWJDH-UHFFFAOYSA-N 1 0 297.359 1.051 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000351831237 369750342 /nfs/dbraw/zinc/75/03/42/369750342.db2.gz VZAMZZYAGBUMEA-WDEREUQCSA-N 1 0 293.323 1.169 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000095015601 370204628 /nfs/dbraw/zinc/20/46/28/370204628.db2.gz PZFLTZWBMWOVKJ-JTQLQIEISA-N 1 0 252.270 1.482 20 5 CDBDRO C[C@@H](CO)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000266137537 370333651 /nfs/dbraw/zinc/33/36/51/370333651.db2.gz GCRSKEDYCHBBHI-JTQLQIEISA-N 1 0 290.323 1.466 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000422774611 245240530 /nfs/dbraw/zinc/24/05/30/245240530.db2.gz XSSLXAMAKCSUDM-SNVBAGLBSA-N 1 0 293.323 1.414 20 5 CDBDRO COc1cc(C(=O)NC(C)(C)C[NH3+])cc([N+](=O)[O-])c1C ZINC000422798965 245269002 /nfs/dbraw/zinc/26/90/02/245269002.db2.gz ULAISTQQWGLZRD-UHFFFAOYSA-N 1 0 281.312 1.379 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000414959900 371172181 /nfs/dbraw/zinc/17/21/81/371172181.db2.gz UHRVEMIWMLZNIC-ZANVPECISA-N 1 0 267.304 1.964 20 5 CDBDRO CO[C@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCOC1 ZINC000122874634 372313437 /nfs/dbraw/zinc/31/34/37/372313437.db2.gz AJWSWBVSWGHEIZ-ZDUSSCGKSA-N 1 0 266.297 1.490 20 5 CDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000266336026 372555461 /nfs/dbraw/zinc/55/54/61/372555461.db2.gz ZKYNYOIQZMXHAH-LLVKDONJSA-N 1 0 294.355 1.727 20 5 CDBDRO C[C@](CO)([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000177026682 372773375 /nfs/dbraw/zinc/77/33/75/372773375.db2.gz KUBUSOMWFPHBNU-CQSZACIVSA-N 1 0 296.371 1.712 20 5 CDBDRO C[N@H+](CCNc1nc2sccn2c1[N+](=O)[O-])C1CC1 ZINC000059035229 373042898 /nfs/dbraw/zinc/04/28/98/373042898.db2.gz DSZGVEMBAFUDFB-UHFFFAOYSA-N 1 0 281.341 1.810 20 5 CDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000347072964 373289766 /nfs/dbraw/zinc/28/97/66/373289766.db2.gz ZSIABCOYLOOCMP-SNVBAGLBSA-N 1 0 280.328 1.385 20 5 CDBDRO Cn1cc([C@H](CO)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000274120906 374122382 /nfs/dbraw/zinc/12/23/82/374122382.db2.gz WXEHAAFCUKVWES-AWEZNQCLSA-N 1 0 290.323 1.194 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000311457480 374255724 /nfs/dbraw/zinc/25/57/24/374255724.db2.gz KYDTYYKETLCVGL-VQCYPWCPSA-N 1 0 263.297 1.462 20 5 CDBDRO CSCC[C@@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000130953814 374275682 /nfs/dbraw/zinc/27/56/82/374275682.db2.gz DQGXSCAMJZSKBW-LLVKDONJSA-N 1 0 283.353 1.291 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000114148333 374296129 /nfs/dbraw/zinc/29/61/29/374296129.db2.gz TZYDZJJRNHLCLQ-NSHDSACASA-N 1 0 277.324 1.619 20 5 CDBDRO Cc1c(NC(=O)N(C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000080164238 374451008 /nfs/dbraw/zinc/45/10/08/374451008.db2.gz HTJKXHVTEZGBOD-UHFFFAOYSA-N 1 0 280.328 1.929 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1COCCO1 ZINC000531683908 374506015 /nfs/dbraw/zinc/50/60/15/374506015.db2.gz NURAUPFGOBXAOG-AAEUAGOBSA-N 1 0 280.324 1.969 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000226454688 374499527 /nfs/dbraw/zinc/49/95/27/374499527.db2.gz XTLYNXVRJCDERC-NSHDSACASA-N 1 0 277.324 1.775 20 5 CDBDRO CC(C)[C@]1(CO)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000377653214 374614405 /nfs/dbraw/zinc/61/44/05/374614405.db2.gz PAFXYDPMWNWELB-CYBMUJFWSA-N 1 0 282.344 1.132 20 5 CDBDRO C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000430969167 374662316 /nfs/dbraw/zinc/66/23/16/374662316.db2.gz CCTUFABGCGVHPI-JOYOIKCWSA-N 1 0 267.304 1.903 20 5 CDBDRO Cc1c(C(=O)NC[C@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000070446809 374662591 /nfs/dbraw/zinc/66/25/91/374662591.db2.gz KBNZESLMVKMZMF-NSHDSACASA-N 1 0 265.313 1.616 20 5 CDBDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093360718 374747831 /nfs/dbraw/zinc/74/78/31/374747831.db2.gz QCKLXMDBOCGEBZ-ZDUSSCGKSA-N 1 0 291.351 1.861 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)[C@H]2CCCO2)cs1 ZINC000447919665 374723806 /nfs/dbraw/zinc/72/38/06/374723806.db2.gz FLCUOOQPQLXXLE-VHSXEESVSA-N 1 0 272.326 1.286 20 5 CDBDRO CCOc1cc(C[N@@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000276960392 374761972 /nfs/dbraw/zinc/76/19/72/374761972.db2.gz VLGZTVRPGXVZPV-NSHDSACASA-N 1 0 266.297 1.560 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000277656041 374801976 /nfs/dbraw/zinc/80/19/76/374801976.db2.gz SXSDVYVCMUDJDZ-KWQFWETISA-N 1 0 297.742 1.976 20 5 CDBDRO C[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000278173684 374832512 /nfs/dbraw/zinc/83/25/12/374832512.db2.gz GDKJDPGUDLIZEG-UHFFFAOYSA-N 1 0 294.311 1.641 20 5 CDBDRO CO[C@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000277068170 374770637 /nfs/dbraw/zinc/77/06/37/374770637.db2.gz WUVRZAHQUGBPGM-STQMWFEESA-N 1 0 295.339 1.304 20 5 CDBDRO CCNC(=O)C1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000277448445 374788396 /nfs/dbraw/zinc/78/83/96/374788396.db2.gz PBDPQJMGSLHXJX-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000331464184 374958389 /nfs/dbraw/zinc/95/83/89/374958389.db2.gz HIPJMNKQYXKBLD-NSHDSACASA-N 1 0 289.335 1.870 20 5 CDBDRO NC(=O)c1ccc(NCC[N@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000280092228 374982700 /nfs/dbraw/zinc/98/27/00/374982700.db2.gz ADQFUEKHIKPWSZ-UHFFFAOYSA-N 1 0 290.323 1.368 20 5 CDBDRO C[C@@H]([NH2+]CC(=O)NCC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000280367588 374994461 /nfs/dbraw/zinc/99/44/61/374994461.db2.gz UMWQANPRDXIBSG-MRVPVSSYSA-N 1 0 287.266 1.627 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[NH2+]CC1 ZINC000332273898 375021905 /nfs/dbraw/zinc/02/19/05/375021905.db2.gz FAVGMDQQUNEPOF-UHFFFAOYSA-N 1 0 278.312 1.730 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000299556302 375181857 /nfs/dbraw/zinc/18/18/57/375181857.db2.gz RNMRBMBCCARLMP-CYBMUJFWSA-N 1 0 292.339 1.217 20 5 CDBDRO C[NH+](C)CCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000131626576 375299915 /nfs/dbraw/zinc/29/99/15/375299915.db2.gz SCGRPUGUZTWLHZ-UHFFFAOYSA-N 1 0 269.276 1.415 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000131933241 375385743 /nfs/dbraw/zinc/38/57/43/375385743.db2.gz CUGVLIDOGYILAW-SFYZADRCSA-N 1 0 269.326 1.466 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@H](C)N1C ZINC000293903389 375414394 /nfs/dbraw/zinc/41/43/94/375414394.db2.gz FJXNXAATGHDMTE-AOOOYVTPSA-N 1 0 293.323 1.465 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132618712 375542137 /nfs/dbraw/zinc/54/21/37/375542137.db2.gz XLQPSSWUMWKRIG-ZETCQYMHSA-N 1 0 255.249 1.201 20 5 CDBDRO C[C@H](NC[C@H](O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000305150277 375559348 /nfs/dbraw/zinc/55/93/48/375559348.db2.gz TWQHZTYIROBAAP-GWCFXTLKSA-N 1 0 267.329 1.168 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000057718505 375565663 /nfs/dbraw/zinc/56/56/63/375565663.db2.gz XIMQBUQVERNMQR-VIFPVBQESA-N 1 0 292.339 1.390 20 5 CDBDRO CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000344943924 375664833 /nfs/dbraw/zinc/66/48/33/375664833.db2.gz XJHBIBPPGNBSIX-GFCCVEGCSA-N 1 0 292.339 1.407 20 5 CDBDRO C[C@H](O)CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000354728717 375746032 /nfs/dbraw/zinc/74/60/32/375746032.db2.gz IHLWJUSZDZHNPE-RYUDHWBXSA-N 1 0 294.355 1.637 20 5 CDBDRO Cc1nn(C)c(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000133522772 375794460 /nfs/dbraw/zinc/79/44/60/375794460.db2.gz FHMOIKYRYZGUHR-WPRPVWTQSA-N 1 0 279.344 1.674 20 5 CDBDRO CN(CCC[NH3+])C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000133750896 375821472 /nfs/dbraw/zinc/82/14/72/375821472.db2.gz HOTBMMSHMTYTRM-UHFFFAOYSA-N 1 0 271.704 1.669 20 5 CDBDRO Cc1nn(C)c(N2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000048557573 375865320 /nfs/dbraw/zinc/86/53/20/375865320.db2.gz FWWFDYGDLWYXGV-UHFFFAOYSA-N 1 0 267.333 1.167 20 5 CDBDRO [NH3+]CC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000383462911 375890440 /nfs/dbraw/zinc/89/04/40/375890440.db2.gz KCYDOMAPDVISLM-JTQLQIEISA-N 1 0 287.266 1.236 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000429405394 247478176 /nfs/dbraw/zinc/47/81/76/247478176.db2.gz NFIAZJKZHFXKGJ-VIFPVBQESA-N 1 0 291.307 1.926 20 5 CDBDRO C[C@@H](NC(=O)[C@@H](C)[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000296523659 376344030 /nfs/dbraw/zinc/34/40/30/376344030.db2.gz SFIVDCZBGKWGLY-NXEZZACHSA-N 1 0 277.324 1.913 20 5 CDBDRO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C(C)(C)C1 ZINC000267059736 376627677 /nfs/dbraw/zinc/62/76/77/376627677.db2.gz IFVYTBMPPIERAP-JTQLQIEISA-N 1 0 252.318 1.912 20 5 CDBDRO COc1ccc(CN2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000435226658 248158088 /nfs/dbraw/zinc/15/80/88/248158088.db2.gz AJGDYERWIANTSH-UHFFFAOYSA-N 1 0 279.340 1.741 20 5 CDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1C ZINC000354434886 377693271 /nfs/dbraw/zinc/69/32/71/377693271.db2.gz QKMWTSCITNUTPP-MNOVXSKESA-N 1 0 294.355 1.868 20 5 CDBDRO C[NH2+][C@H]1CCCN(c2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000092027591 377917510 /nfs/dbraw/zinc/91/75/10/377917510.db2.gz MBITYPJVSODZPI-JTQLQIEISA-N 1 0 250.302 1.486 20 5 CDBDRO COc1cc(C(=O)NCCC[NH2+]C2CC2)ccc1[N+](=O)[O-] ZINC000164871670 292854488 /nfs/dbraw/zinc/85/44/88/292854488.db2.gz XYNPBRDTIXVVPU-UHFFFAOYSA-N 1 0 293.323 1.475 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]CC3=CCCOC3)nc2c1 ZINC000446833952 250318702 /nfs/dbraw/zinc/31/87/02/250318702.db2.gz IUXFTCPKAPHGMR-UHFFFAOYSA-N 1 0 288.307 1.907 20 5 CDBDRO Cc1ccc(C[NH2+][C@]2(CCO)CCOC2)cc1[N+](=O)[O-] ZINC000447079496 250339589 /nfs/dbraw/zinc/33/95/89/250339589.db2.gz WCMYHGLFUFLNIK-CQSZACIVSA-N 1 0 280.324 1.534 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH3+] ZINC000041031424 379293485 /nfs/dbraw/zinc/29/34/85/379293485.db2.gz WYMORXZHMSGAFE-UHFFFAOYSA-N 1 0 251.286 1.372 20 5 CDBDRO Cc1nc(N(C)[C@H]2CC[N@@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000450333278 251228622 /nfs/dbraw/zinc/22/86/22/251228622.db2.gz GGLWWGWPAHSCIW-NSHDSACASA-N 1 0 277.328 1.366 20 5 CDBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000289933831 197534704 /nfs/dbraw/zinc/53/47/04/197534704.db2.gz LCUIRJATDIDAQE-OLZOCXBDSA-N 1 0 291.351 1.642 20 5 CDBDRO C[NH+](C)C/C=C\C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000491850122 253104389 /nfs/dbraw/zinc/10/43/89/253104389.db2.gz QATYODMRTJMRDL-ARJAWSKDSA-N 1 0 293.323 1.208 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CO)CCOCC2)cc1 ZINC000069247996 285114207 /nfs/dbraw/zinc/11/42/07/285114207.db2.gz ULKQCXWVVBHDHO-UHFFFAOYSA-N 1 0 266.297 1.226 20 5 CDBDRO CC(C)([NH3+])CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493297994 253423287 /nfs/dbraw/zinc/42/32/87/253423287.db2.gz YIMHAOKCGKXQBN-XQRVVYSFSA-N 1 0 281.287 1.601 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493482820 253473106 /nfs/dbraw/zinc/47/31/06/253473106.db2.gz ATJNVFCPXDMNJK-UJYRLZNBSA-N 1 0 275.308 1.556 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1COCCO1)CCC2 ZINC000447533419 285143834 /nfs/dbraw/zinc/14/38/34/285143834.db2.gz RJNILEZTGARVJH-HIFRSBDPSA-N 1 0 292.335 1.977 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261624289 285156334 /nfs/dbraw/zinc/15/63/34/285156334.db2.gz VCGJVLHBLOIZGW-ZDUSSCGKSA-N 1 0 265.288 1.924 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H](CO)C[NH+]2CCCCC2)nc1 ZINC000288835925 197175858 /nfs/dbraw/zinc/17/58/58/197175858.db2.gz CBMBCBGTWOSRSY-NSHDSACASA-N 1 0 280.328 1.249 20 5 CDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000286246837 390194434 /nfs/dbraw/zinc/19/44/34/390194434.db2.gz BZZZGXPNLIKEGM-PWSUYJOCSA-N 1 0 277.328 1.448 20 5 CDBDRO CO[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1(C)C ZINC000451568998 390631502 /nfs/dbraw/zinc/63/15/02/390631502.db2.gz SFJWSEZYIXLEFB-NSHDSACASA-N 1 0 282.344 1.538 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/CNC[C@H]1C[NH2+]CCCO1 ZINC000415043579 391249943 /nfs/dbraw/zinc/24/99/43/391249943.db2.gz RSDQLCVOADVTKD-ZRFDWSJLSA-N 1 0 291.351 1.576 20 5 CDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CNCCO1 ZINC000415092529 391257023 /nfs/dbraw/zinc/25/70/23/391257023.db2.gz GIXLNBSLAQWJNI-TZMCWYRMSA-N 1 0 293.367 1.494 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[NH3+] ZINC000415477106 391466616 /nfs/dbraw/zinc/46/66/16/391466616.db2.gz AKRPHHYABFWYOE-VIFPVBQESA-N 1 0 266.301 1.680 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)C[NH3+] ZINC000415572408 391467096 /nfs/dbraw/zinc/46/70/96/391467096.db2.gz BBOKLFOXIDYFQT-SECBINFHSA-N 1 0 266.301 1.680 20 5 CDBDRO C[NH2+]CCCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415628390 391469658 /nfs/dbraw/zinc/46/96/58/391469658.db2.gz FBBRDIUKBXACCX-UHFFFAOYSA-N 1 0 270.264 1.465 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280805071 391474736 /nfs/dbraw/zinc/47/47/36/391474736.db2.gz SMGMEHRUQAKZJX-QMTHXVAHSA-N 1 0 277.324 1.853 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000269256241 391626847 /nfs/dbraw/zinc/62/68/47/391626847.db2.gz HTXZSLIXOAUOAK-LBPRGKRZSA-N 1 0 294.355 1.374 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000129146539 391637124 /nfs/dbraw/zinc/63/71/24/391637124.db2.gz XFUISRLVXLLZQS-JQWIXIFHSA-N 1 0 279.340 1.915 20 5 CDBDRO CC(C)(C)c1ccc(C(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000159442829 391900345 /nfs/dbraw/zinc/90/03/45/391900345.db2.gz JORLGHIAKHIFBR-UHFFFAOYSA-N 1 0 291.351 1.938 20 5 CDBDRO C[N@@H+]1CCO[C@H]2CN(c3c(F)cccc3[N+](=O)[O-])C[C@H]21 ZINC000357625378 391940043 /nfs/dbraw/zinc/94/00/43/391940043.db2.gz VXZBVRCRLDQYOL-NEPJUHHUSA-N 1 0 281.287 1.253 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000041028059 392006973 /nfs/dbraw/zinc/00/69/73/392006973.db2.gz BFBSKKVCWHDPLG-VIFPVBQESA-N 1 0 267.260 1.297 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000358299723 391942313 /nfs/dbraw/zinc/94/23/13/391942313.db2.gz FOTQPTOFMSPQPN-ZDUSSCGKSA-N 1 0 265.313 1.382 20 5 CDBDRO COC[C@@H](O)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449205105 392121764 /nfs/dbraw/zinc/12/17/64/392121764.db2.gz KXGUPLLSWYZNSB-AAEUAGOBSA-N 1 0 282.340 1.513 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261680906 131161782 /nfs/dbraw/zinc/16/17/82/131161782.db2.gz MKFLDASYCFMCJG-SMDDNHRTSA-N 1 0 289.335 1.727 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000261721612 131164563 /nfs/dbraw/zinc/16/45/63/131164563.db2.gz KIOXYUXUIMJERE-BREBYQMCSA-N 1 0 277.324 1.711 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000262048751 131186989 /nfs/dbraw/zinc/18/69/89/131186989.db2.gz HCHLYZCMGPFMAF-ZJUUUORDSA-N 1 0 279.296 1.158 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000262611302 131240703 /nfs/dbraw/zinc/24/07/03/131240703.db2.gz DIWFVOOHCSKBNT-NSHDSACASA-N 1 0 293.323 1.313 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262749342 131258228 /nfs/dbraw/zinc/25/82/28/131258228.db2.gz JTJHSMCIOQGSGV-PELKAZGASA-N 1 0 297.742 1.976 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262749345 131259106 /nfs/dbraw/zinc/25/91/06/131259106.db2.gz JTJHSMCIOQGSGV-UFBFGSQYSA-N 1 0 297.742 1.976 20 5 CDBDRO Cc1cc(C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000262804372 131262834 /nfs/dbraw/zinc/26/28/34/131262834.db2.gz PVQZBVWYVLJBOW-MNOVXSKESA-N 1 0 277.324 1.726 20 5 CDBDRO Cn1c(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000521872714 392870007 /nfs/dbraw/zinc/87/00/07/392870007.db2.gz BBIKBALFQBUJDW-XYPYZODXSA-N 1 0 294.355 1.428 20 5 CDBDRO CCCN1C[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1=O ZINC000421350173 392930776 /nfs/dbraw/zinc/93/07/76/392930776.db2.gz KOVDYFICAXHVDV-CYBMUJFWSA-N 1 0 291.351 1.943 20 5 CDBDRO CCSCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000525634042 392934497 /nfs/dbraw/zinc/93/44/97/392934497.db2.gz WSIMBYGHNXTSFG-UHFFFAOYSA-N 1 0 296.396 1.865 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000194862545 392975751 /nfs/dbraw/zinc/97/57/51/392975751.db2.gz PLMJOKXWODVYSW-ZCFIWIBFSA-N 1 0 291.229 1.691 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000430199668 393090823 /nfs/dbraw/zinc/09/08/23/393090823.db2.gz DDLUOEUAJGZLOY-LEWSCRJBSA-N 1 0 292.335 1.806 20 5 CDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000530916834 393057615 /nfs/dbraw/zinc/05/76/15/393057615.db2.gz QSBXFOGALJSXNE-JTQLQIEISA-N 1 0 292.339 1.249 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000449640505 393137835 /nfs/dbraw/zinc/13/78/35/393137835.db2.gz SGHVQTOIXQFGJA-IUCAKERBSA-N 1 0 267.285 1.435 20 5 CDBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])s1 ZINC000449654268 393137859 /nfs/dbraw/zinc/13/78/59/393137859.db2.gz DRHZMHDEGNULGC-SSDOTTSWSA-N 1 0 291.279 1.383 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000278699069 393143334 /nfs/dbraw/zinc/14/33/34/393143334.db2.gz IGMIEZQKRSEQTJ-TXEJJXNPSA-N 1 0 261.325 1.901 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\C[NH+](C)C ZINC000493783231 393219983 /nfs/dbraw/zinc/21/99/83/393219983.db2.gz HHYKVGMULGRRRC-PLNGDYQASA-N 1 0 278.312 1.693 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000087383715 139661694 /nfs/dbraw/zinc/66/16/94/139661694.db2.gz DOCGTOHSLOAKLU-SSDOTTSWSA-N 1 0 255.299 1.123 20 5 CDBDRO C[NH2+]CCN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000165287928 139925114 /nfs/dbraw/zinc/92/51/14/139925114.db2.gz NAAOHNMVLBQIQF-UHFFFAOYSA-N 1 0 271.704 1.540 20 5 CDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[NH2+]C2)c1 ZINC000179087685 140012685 /nfs/dbraw/zinc/01/26/85/140012685.db2.gz DVFDPSXCSFFMSM-SECBINFHSA-N 1 0 295.364 1.751 20 5 CDBDRO CCC[N@H+](CC)CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183571346 140027473 /nfs/dbraw/zinc/02/74/73/140027473.db2.gz DBHJLRNXKZVTBM-UHFFFAOYSA-N 1 0 295.343 1.843 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC1=CC[NH2+]CC1 ZINC000186359867 140059549 /nfs/dbraw/zinc/05/95/49/140059549.db2.gz KRXBQGLDEPBCFG-UHFFFAOYSA-N 1 0 291.307 1.253 20 5 CDBDRO COc1cc(C(=O)NC2(C)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000189328513 140112026 /nfs/dbraw/zinc/11/20/26/140112026.db2.gz MOOZADDBCAFBKV-UHFFFAOYSA-N 1 0 293.323 1.475 20 5 CDBDRO COc1cc(NC[C@H]2CC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000227860794 140188809 /nfs/dbraw/zinc/18/88/09/140188809.db2.gz GXULLBXYLFTVJY-QMMMGPOBSA-N 1 0 269.276 1.764 20 5 CDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[NH2+]CC1 ZINC000231484368 140216151 /nfs/dbraw/zinc/21/61/51/140216151.db2.gz TYNJOXUJYLTMLU-JTQLQIEISA-N 1 0 295.314 1.948 20 5 CDBDRO C[C@@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000253189219 140331092 /nfs/dbraw/zinc/33/10/92/140331092.db2.gz KHBVSLWYTQOVCV-RKDXNWHRSA-N 1 0 295.368 1.725 20 5 CDBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@H]2CC[NH2+]C2)s1 ZINC000261581140 140355266 /nfs/dbraw/zinc/35/52/66/140355266.db2.gz FVEIHSCRGCPIHA-ZETCQYMHSA-N 1 0 279.325 1.621 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CC[NH2+]C1 ZINC000261584033 140355703 /nfs/dbraw/zinc/35/57/03/140355703.db2.gz SANQOSOOKVPCTL-VIFPVBQESA-N 1 0 253.306 1.141 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000261669615 140373251 /nfs/dbraw/zinc/37/32/51/140373251.db2.gz FVNMRONNHZOTCZ-ONGXEEELSA-N 1 0 299.352 1.013 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000261745706 140383646 /nfs/dbraw/zinc/38/36/46/140383646.db2.gz MLAWVAVEFOFYGQ-LNLATYFQSA-N 1 0 280.328 1.050 20 5 CDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C1 ZINC000423208352 397602920 /nfs/dbraw/zinc/60/29/20/397602920.db2.gz TVDSOPMRXGGVOP-PWSUYJOCSA-N 1 0 292.339 1.263 20 5 CDBDRO Cc1cc(F)cc(C(=O)NCC[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000262568249 149075543 /nfs/dbraw/zinc/07/55/43/149075543.db2.gz AQKVRPWYSSLTPF-JTQLQIEISA-N 1 0 295.314 1.772 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)CC[NH3+] ZINC000311011325 149206910 /nfs/dbraw/zinc/20/69/10/149206910.db2.gz PFBBJLULULASAH-VIFPVBQESA-N 1 0 251.286 1.370 20 5 CDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[N@@H+]1CCCC[C@H]1C ZINC000343071562 152020857 /nfs/dbraw/zinc/02/08/57/152020857.db2.gz FTPINOSKRMRRAG-MNOVXSKESA-N 1 0 294.355 1.916 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000343249026 152084724 /nfs/dbraw/zinc/08/47/24/152084724.db2.gz BWWYAJCXDCBNJH-UWVGGRQHSA-N 1 0 278.312 1.280 20 5 CDBDRO C[C@H]1[C@H](NC(=O)c2csc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343422222 152167082 /nfs/dbraw/zinc/16/70/82/152167082.db2.gz CFOOSGLPSZIXPX-WCBMZHEXSA-N 1 0 283.353 1.869 20 5 CDBDRO C[C@@H]1[C@@H](Nc2ncccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343571687 152228362 /nfs/dbraw/zinc/22/83/62/152228362.db2.gz ZXDSEHXYCOFGHG-ZJUUUORDSA-N 1 0 250.302 1.884 20 5 CDBDRO CCOC(=O)c1ccnc(N[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000343798130 152306089 /nfs/dbraw/zinc/30/60/89/152306089.db2.gz VIFDKDGFDAIPOU-SECBINFHSA-N 1 0 296.327 1.529 20 5 CDBDRO CCC[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000343999360 152383576 /nfs/dbraw/zinc/38/35/76/152383576.db2.gz SVRWFSIFLCSQSS-VIFPVBQESA-N 1 0 270.358 1.760 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261766659 292282707 /nfs/dbraw/zinc/28/27/07/292282707.db2.gz VMXBKOYQLCEOOF-NEPJUHHUSA-N 1 0 289.335 1.585 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000235357432 292282770 /nfs/dbraw/zinc/28/27/70/292282770.db2.gz VVHZYACHWUKLDD-KOLCDFICSA-N 1 0 263.297 1.322 20 5 CDBDRO Cc1sc(C(=O)N[C@@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000349956329 154286556 /nfs/dbraw/zinc/28/65/56/154286556.db2.gz BBTZKDPTSVULQW-LURJTMIESA-N 1 0 257.315 1.432 20 5 CDBDRO C[C@@H]1[N@H+](Cc2c([N+](=O)[O-])ncn2C)CCC12CCOCC2 ZINC000375238052 160356117 /nfs/dbraw/zinc/35/61/17/160356117.db2.gz PWKGLAAFRBJQDE-NSHDSACASA-N 1 0 294.355 1.719 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC[C@@H](CO)O2)c(F)c1 ZINC000353723789 156041229 /nfs/dbraw/zinc/04/12/29/156041229.db2.gz URMRLQHYABXRRF-RYUDHWBXSA-N 1 0 284.287 1.363 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](CO)c2ccc(F)cc2)c1 ZINC000359617217 158313516 /nfs/dbraw/zinc/31/35/16/158313516.db2.gz LQLBAGQLCUSEDS-ZDUSSCGKSA-N 1 0 294.286 1.254 20 5 CDBDRO COc1cc(C[N@H+]2C[C@H](CO)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000362072110 159059443 /nfs/dbraw/zinc/05/94/43/159059443.db2.gz KORGDFQEMLHZOP-ZYHUDNBSSA-N 1 0 280.324 1.664 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC2(CCC[N@@H+]2C)CC1 ZINC000363668323 159339135 /nfs/dbraw/zinc/33/91/35/159339135.db2.gz DLYSQGFIAQGWCV-UHFFFAOYSA-N 1 0 293.371 1.389 20 5 CDBDRO Cc1cccc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1[N+](=O)[O-] ZINC000262827283 292426367 /nfs/dbraw/zinc/42/63/67/292426367.db2.gz PZHZSOLWZNVETA-CMPLNLGQSA-N 1 0 277.324 1.631 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000372345414 160108747 /nfs/dbraw/zinc/10/87/47/160108747.db2.gz GHZVSJJGPMOGEP-WCQYABFASA-N 1 0 280.328 1.376 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCc3c[nH]nc3C2)c1 ZINC000374543211 160294427 /nfs/dbraw/zinc/29/44/27/160294427.db2.gz ZVESQRSCZIKSNW-LBPRGKRZSA-N 1 0 272.308 1.965 20 5 CDBDRO O=C(N[C@H]1C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1 ZINC000005672938 170126694 /nfs/dbraw/zinc/12/66/94/170126694.db2.gz ZPGXFKKACMYBDC-ZDUSSCGKSA-N 1 0 275.308 1.419 20 5 CDBDRO CC(C)NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035140996 172007858 /nfs/dbraw/zinc/00/78/58/172007858.db2.gz VKWORQHCNAYXPH-SNVBAGLBSA-N 1 0 265.313 1.770 20 5 CDBDRO C[C@@H]([NH2+]CC(=O)NC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000036782292 172699701 /nfs/dbraw/zinc/69/97/01/172699701.db2.gz FXMQQSHCFXOUHV-SECBINFHSA-N 1 0 263.297 1.524 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000285648168 196354461 /nfs/dbraw/zinc/35/44/61/196354461.db2.gz GOLVTSMRWNKYSX-VIFPVBQESA-N 1 0 280.328 1.424 20 5 CDBDRO C[C@H]([NH2+]CC(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000037207844 173029310 /nfs/dbraw/zinc/02/93/10/173029310.db2.gz RZUNGHKVMVYXGZ-VIFPVBQESA-N 1 0 251.286 1.334 20 5 CDBDRO Cc1c(NC(=O)CC[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000037395469 173175631 /nfs/dbraw/zinc/17/56/31/173175631.db2.gz RSSCEUHBHAKUHU-UHFFFAOYSA-N 1 0 263.297 1.984 20 5 CDBDRO C[C@@H](NC(=O)C[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000037766554 173695967 /nfs/dbraw/zinc/69/59/67/173695967.db2.gz AIUJRNQJPORILS-DTWKUNHWSA-N 1 0 251.286 1.509 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@@H]1CCC[NH2+]1 ZINC000042169314 174650333 /nfs/dbraw/zinc/65/03/33/174650333.db2.gz RREZTVWELVZJEZ-LBPRGKRZSA-N 1 0 277.324 1.695 20 5 CDBDRO C[NH+](C)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000043467058 175052793 /nfs/dbraw/zinc/05/27/93/175052793.db2.gz QBLBTSQJDUBYFE-UHFFFAOYSA-N 1 0 266.301 1.668 20 5 CDBDRO [NH3+]CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000044512498 175188179 /nfs/dbraw/zinc/18/81/79/175188179.db2.gz ZGEJNKUUBGKKMH-UHFFFAOYSA-N 1 0 281.287 1.545 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000044563103 175206825 /nfs/dbraw/zinc/20/68/25/175206825.db2.gz SQGGSQKOWOTGES-SNVBAGLBSA-N 1 0 250.302 1.886 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000071143625 176040981 /nfs/dbraw/zinc/04/09/81/176040981.db2.gz OOTCVKDQFPSWAU-VIFPVBQESA-N 1 0 297.742 1.930 20 5 CDBDRO CC[NH+](CC)CCCCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000076269222 176966624 /nfs/dbraw/zinc/96/66/24/176966624.db2.gz WRODYWNMFQTGNE-UHFFFAOYSA-N 1 0 282.348 1.501 20 5 CDBDRO C[NH+]1CCC(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000078472921 177344558 /nfs/dbraw/zinc/34/45/58/177344558.db2.gz ZGQMZALPKNHUCB-VOTSOKGWSA-N 1 0 289.335 1.818 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000214392424 260292010 /nfs/dbraw/zinc/29/20/10/260292010.db2.gz ZPEZFQIGBDPJOB-LLPBQKLSSA-N 1 0 289.335 1.676 20 5 CDBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000517790572 260306904 /nfs/dbraw/zinc/30/69/04/260306904.db2.gz VNWNWHZRZPTBFW-SECBINFHSA-N 1 0 283.332 1.168 20 5 CDBDRO CC1(CNC(=O)c2ccc([N+](=O)[O-])s2)CC[NH2+]CC1 ZINC000129093979 260382414 /nfs/dbraw/zinc/38/24/14/260382414.db2.gz YQIBOZQRTGDFAJ-UHFFFAOYSA-N 1 0 283.353 1.776 20 5 CDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000525804667 262366694 /nfs/dbraw/zinc/36/66/94/262366694.db2.gz IJVLKWYTKFSVDW-NSHDSACASA-N 1 0 277.324 1.666 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]([NH3+])C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000399016701 270366241 /nfs/dbraw/zinc/36/62/41/270366241.db2.gz GFRZPZPMIIVNRR-RNCFNFMXSA-N 1 0 277.324 1.899 20 5 CDBDRO CC(C)(C)[C@H]([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000040459110 273502317 /nfs/dbraw/zinc/50/23/17/273502317.db2.gz KERLFNHPMHFBMC-SNVBAGLBSA-N 1 0 251.286 1.907 20 5 CDBDRO CCc1ccc(C(=O)N[C@@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000449600164 273768978 /nfs/dbraw/zinc/76/89/78/273768978.db2.gz IWLBEPDSJJCGQA-IUCAKERBSA-N 1 0 265.313 1.623 20 5 CDBDRO C[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000295290239 273901236 /nfs/dbraw/zinc/90/12/36/273901236.db2.gz JJOMUWXHISFZNT-UHFFFAOYSA-N 1 0 272.308 1.895 20 5 CDBDRO COc1cc(N2CC[C@@H]([NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000227859968 274096684 /nfs/dbraw/zinc/09/66/84/274096684.db2.gz PDYYHZTUTBFKEA-SSDOTTSWSA-N 1 0 255.249 1.280 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000156385653 274118223 /nfs/dbraw/zinc/11/82/23/274118223.db2.gz WWUANDHDIPVUHA-MNOVXSKESA-N 1 0 277.324 1.934 20 5 CDBDRO C[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[NH2+]1 ZINC000052783512 274364935 /nfs/dbraw/zinc/36/49/35/274364935.db2.gz DGPYAGRGPJKNJB-SNVBAGLBSA-N 1 0 272.308 1.941 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[NH2+]C1 ZINC000422747535 274686227 /nfs/dbraw/zinc/68/62/27/274686227.db2.gz QIFUNOXCCLBVKH-NSHDSACASA-N 1 0 277.324 1.612 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000312148762 277030217 /nfs/dbraw/zinc/03/02/17/277030217.db2.gz BXZXSJZWTILKJM-OFSNVTPPSA-N 1 0 277.324 1.580 20 5 CDBDRO COc1cccc(N2CC([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000274647453 278015718 /nfs/dbraw/zinc/01/57/18/278015718.db2.gz CCWAQBROAAPFSJ-UHFFFAOYSA-N 1 0 251.286 1.354 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000449295377 278220640 /nfs/dbraw/zinc/22/06/40/278220640.db2.gz RTVLIAUODPFKCK-ZLDLUXBVSA-N 1 0 294.351 1.655 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000286938679 278237851 /nfs/dbraw/zinc/23/78/51/278237851.db2.gz JTTXEFKSBPHZKV-JTQLQIEISA-N 1 0 280.328 1.073 20 5 CDBDRO C[C@@H]([NH3+])CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000063170545 278306228 /nfs/dbraw/zinc/30/62/28/278306228.db2.gz CCAIPJGYBQZFQN-VQCYPWCPSA-N 1 0 263.297 1.462 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC([NH3+])CC1 ZINC000020549345 278866457 /nfs/dbraw/zinc/86/64/57/278866457.db2.gz XWGXJFBXWDYQDT-UHFFFAOYSA-N 1 0 299.352 1.015 20 5 CDBDRO C[C@H](CC(N)=O)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000161371566 279250686 /nfs/dbraw/zinc/25/06/86/279250686.db2.gz DLADFMAVXLFJQM-RKDXNWHRSA-N 1 0 251.286 1.509 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320880 279277052 /nfs/dbraw/zinc/27/70/52/279277052.db2.gz PKUIPXNJVMOZCA-PHIMTYICSA-N 1 0 275.308 1.195 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090553972 279279331 /nfs/dbraw/zinc/27/93/31/279279331.db2.gz MGWGTKIHOWGRNU-JTQLQIEISA-N 1 0 253.302 1.487 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000127337206 279409074 /nfs/dbraw/zinc/40/90/74/279409074.db2.gz BDDIMYMYDNKCGT-JGVFFNPUSA-N 1 0 281.341 1.478 20 5 CDBDRO C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163586694 279712532 /nfs/dbraw/zinc/71/25/32/279712532.db2.gz VSVILUCHMFMPAQ-JQWIXIFHSA-N 1 0 277.324 1.652 20 5 CDBDRO Cc1c(CNC(=O)CC[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000231856448 280120345 /nfs/dbraw/zinc/12/03/45/280120345.db2.gz XCVNFIXAGNPUSC-UHFFFAOYSA-N 1 0 277.324 1.662 20 5 CDBDRO [NH3+]C1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000237792557 280187512 /nfs/dbraw/zinc/18/75/12/280187512.db2.gz CIYQWXFQBGNDLG-UHFFFAOYSA-N 1 0 292.339 1.394 20 5 CDBDRO Cc1c(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000089090868 280218715 /nfs/dbraw/zinc/21/87/15/280218715.db2.gz QXSSJWZJRJUHNW-PWSUYJOCSA-N 1 0 277.324 1.760 20 5 CDBDRO Cc1cnc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000261605194 280533784 /nfs/dbraw/zinc/53/37/84/280533784.db2.gz REXHDURKHCJCOM-GHMZBOCLSA-N 1 0 262.313 1.344 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[NH2+]CC1 ZINC000044747635 280657881 /nfs/dbraw/zinc/65/78/81/280657881.db2.gz TUOHAUMJUWMZHE-UHFFFAOYSA-N 1 0 263.297 1.339 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH2+]C(C)(C)C1 ZINC000212811714 280664816 /nfs/dbraw/zinc/66/48/16/280664816.db2.gz LCEHXQKIWITULK-UHFFFAOYSA-N 1 0 250.302 1.486 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[NH2+]CC2)c1 ZINC000088147199 281007681 /nfs/dbraw/zinc/00/76/81/281007681.db2.gz BNFCKJQZLVBEJG-UHFFFAOYSA-N 1 0 263.297 1.339 20 5 CDBDRO Cc1cccc(C(=O)N2CCC[NH2+]CC2)c1[N+](=O)[O-] ZINC000019401602 281189881 /nfs/dbraw/zinc/18/98/81/281189881.db2.gz URDOTEWGWPJKKQ-UHFFFAOYSA-N 1 0 263.297 1.339 20 5 CDBDRO Cc1cccc(N2CCC([NH2+]CCO)CC2)c1[N+](=O)[O-] ZINC000290948100 281225350 /nfs/dbraw/zinc/22/53/50/281225350.db2.gz MJDJKAFAMKAMQQ-UHFFFAOYSA-N 1 0 279.340 1.454 20 5 CDBDRO COCC(C)(C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000154866302 289219664 /nfs/dbraw/zinc/21/96/64/289219664.db2.gz PTGDWXYXTDNYCN-UHFFFAOYSA-N 1 0 295.339 1.856 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2(C3CC3)CC2)c1 ZINC000542521429 289548070 /nfs/dbraw/zinc/54/80/70/289548070.db2.gz MFSPMSIHSOMKNS-ZDUSSCGKSA-N 1 0 292.335 1.867 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417757838 289769694 /nfs/dbraw/zinc/76/96/94/289769694.db2.gz BSGLLLFOVJCFNR-JTQLQIEISA-N 1 0 280.328 1.174 20 5 CDBDRO COC[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000227690389 293109172 /nfs/dbraw/zinc/10/91/72/293109172.db2.gz VDONHHAPARNWNJ-MFKMUULPSA-N 1 0 268.313 1.907 20 5 CDBDRO COC[C@H](O)C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000562993276 293237107 /nfs/dbraw/zinc/23/71/07/293237107.db2.gz CVSIJZRPQZRRPG-CQSZACIVSA-N 1 0 282.340 1.514 20 5 CDBDRO CCC[C@@H](O)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000563142189 293287982 /nfs/dbraw/zinc/28/79/82/293287982.db2.gz OLFZARJGRGISLL-CHWSQXEVSA-N 1 0 298.339 1.085 20 5 CDBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000563141646 293288077 /nfs/dbraw/zinc/28/80/77/293288077.db2.gz FZIABLNNYGPKQQ-SECBINFHSA-N 1 0 292.339 1.376 20 5 CDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@@H+](C2CC2)C1 ZINC000568719271 294086806 /nfs/dbraw/zinc/08/68/06/294086806.db2.gz UPCQPAYQLFGWEN-NSHDSACASA-N 1 0 276.340 1.910 20 5 CDBDRO O=c1c2ccccc2n(CC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000569118980 294161722 /nfs/dbraw/zinc/16/17/22/294161722.db2.gz VXSDFODRMUNIKF-UHFFFAOYSA-N 1 0 287.319 1.909 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1[N+](=O)[O-] ZINC000365279457 301952630 /nfs/dbraw/zinc/95/26/30/301952630.db2.gz YPHGUNNXWADZPJ-YPMHNXCESA-N 1 0 289.335 1.727 20 5 CDBDRO C[C@@H]1CC2(CN1C(=O)c1ccc([N+](=O)[O-])[nH]1)CC[NH2+]CC2 ZINC000577502012 317343083 /nfs/dbraw/zinc/34/30/83/317343083.db2.gz JGRVFBDKYWYCNF-SNVBAGLBSA-N 1 0 292.339 1.527 20 5 CDBDRO C[NH2+]CCSCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000577607543 317364736 /nfs/dbraw/zinc/36/47/36/317364736.db2.gz WFISEFWGLHOXJS-UHFFFAOYSA-N 1 0 283.353 1.794 20 5 CDBDRO C[C@H]1C[C@@H]1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000578194465 317488265 /nfs/dbraw/zinc/48/82/65/317488265.db2.gz LZIUSGLBZDPDPD-NWDGAFQWSA-N 1 0 276.340 1.768 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000381376655 323626100 /nfs/dbraw/zinc/62/61/00/323626100.db2.gz OEXKTQADOIULOD-IUCAKERBSA-N 1 0 251.286 1.369 20 5 CDBDRO Cc1ccnc(N[C@@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000382437709 323640932 /nfs/dbraw/zinc/64/09/32/323640932.db2.gz XJPOKZBKHSFWNE-NXEZZACHSA-N 1 0 250.302 1.980 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000384608002 323684822 /nfs/dbraw/zinc/68/48/22/323684822.db2.gz LCYFVMVBODVVAO-ANCZFUFASA-N 1 0 289.335 1.946 20 5 CDBDRO [NH3+][C@H]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000579592325 324227797 /nfs/dbraw/zinc/22/77/97/324227797.db2.gz OGEPXSPOCBNARQ-JTQLQIEISA-N 1 0 262.313 1.406 20 5 CDBDRO CN(C)[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001120469770 1161021574 /nfs/dbraw/zinc/02/15/74/1161021574.db2.gz WOMQGBJNHQACBK-LSDHHAIUSA-N 1 0 293.367 1.558 20 5 CDBDRO Cc1c(CNC(=O)NC[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000418080298 533858727 /nfs/dbraw/zinc/85/87/27/533858727.db2.gz MBSBZNLCJLLTCU-GFCCVEGCSA-N 1 0 294.355 1.686 20 5 CDBDRO Cn1nncc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000287483846 534364981 /nfs/dbraw/zinc/36/49/81/534364981.db2.gz XIMUSDSAZJJNIN-CQSZACIVSA-N 1 0 287.323 1.891 20 5 CDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000261545869 518918456 /nfs/dbraw/zinc/91/84/56/518918456.db2.gz LIEAZFWSOZXOEO-MRVPVSSYSA-N 1 0 254.290 1.026 20 5 CDBDRO COc1ccc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000438005525 519096675 /nfs/dbraw/zinc/09/66/75/519096675.db2.gz VTUDAPAVVPZHMH-BETUJISGSA-N 1 0 291.351 1.930 20 5 CDBDRO CC(C)[N@H+](CCO)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000085860999 519648895 /nfs/dbraw/zinc/64/88/95/519648895.db2.gz HJAGVNSFXSLESF-UHFFFAOYSA-N 1 0 295.339 1.260 20 5 CDBDRO CC[N@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000338434388 521072102 /nfs/dbraw/zinc/07/21/02/521072102.db2.gz ANZVUZRNEWGOMZ-UHFFFAOYSA-N 1 0 277.324 1.809 20 5 CDBDRO [NH3+]CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(F)(F)F ZINC000307819935 534645864 /nfs/dbraw/zinc/64/58/64/534645864.db2.gz OBZFGGAQJBLFFA-ZCFIWIBFSA-N 1 0 281.190 1.197 20 5 CDBDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000049948313 523993314 /nfs/dbraw/zinc/99/33/14/523993314.db2.gz YGYWLLCGKURVPT-QWRGUYRKSA-N 1 0 279.340 1.988 20 5 CDBDRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196785 524078236 /nfs/dbraw/zinc/07/82/36/524078236.db2.gz GDJVQJGXFHMXIH-BDAKNGLRSA-N 1 0 294.311 1.090 20 5 CDBDRO C[C@@H](CNc1c([N+](=O)[O-])ncn1C)[N@H+](C)C1CC1 ZINC000068913359 524753274 /nfs/dbraw/zinc/75/32/74/524753274.db2.gz DQEPLNBXBHDPCR-QMMMGPOBSA-N 1 0 253.306 1.223 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@@H+](C)CCN1C ZINC000068806811 525570136 /nfs/dbraw/zinc/57/01/36/525570136.db2.gz OQOFTLMCDQZCOH-ZDUSSCGKSA-N 1 0 278.356 1.561 20 5 CDBDRO CS[C@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@@H]1[NH+](C)C ZINC000337027102 525914958 /nfs/dbraw/zinc/91/49/58/525914958.db2.gz WCZLUDDZXYWQEF-YUMQZZPRSA-N 1 0 288.398 1.533 20 5 CDBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2COCCO2)cccc1[N+](=O)[O-] ZINC000358224582 525918097 /nfs/dbraw/zinc/91/80/97/525918097.db2.gz RDQGSJODOQMZHM-NWDGAFQWSA-N 1 0 280.324 1.969 20 5 CDBDRO CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000093874163 536466796 /nfs/dbraw/zinc/46/67/96/536466796.db2.gz IWLUWRXCPHRFIJ-UHFFFAOYSA-N 1 0 294.355 1.110 20 5 CDBDRO [NH3+]C[C@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000050246206 527237828 /nfs/dbraw/zinc/23/78/28/527237828.db2.gz ONAKSIOAJDAQLD-MJRJWQSSSA-N 1 0 275.308 1.415 20 5 CDBDRO O=[N+]([O-])c1cc(Br)cnc1O[C@H]1CC[NH2+]C1 ZINC000051868647 527327618 /nfs/dbraw/zinc/32/76/18/527327618.db2.gz FSUOKBULJFTCNL-ZETCQYMHSA-N 1 0 288.101 1.493 20 5 CDBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000185037991 527415894 /nfs/dbraw/zinc/41/58/94/527415894.db2.gz VYNGCKSSQYESPV-KDDOJWQBSA-N 1 0 293.298 1.543 20 5 CDBDRO O=C(NCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])s1 ZINC000061547603 527661671 /nfs/dbraw/zinc/66/16/71/527661671.db2.gz OPIIJNLROMMDIZ-UHFFFAOYSA-N 1 0 283.353 1.872 20 5 CDBDRO CCOC[C@@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269079341 535671180 /nfs/dbraw/zinc/67/11/80/535671180.db2.gz DNPBQEVYBVLTKN-HNNXBMFYSA-N 1 0 294.351 1.957 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C[NH3+])C[C@H]1C ZINC000261617698 535969837 /nfs/dbraw/zinc/96/98/37/535969837.db2.gz UGGPZADLABUWAP-PSASIEDQSA-N 1 0 267.333 1.293 20 5 CDBDRO CN(CC[NH3+])CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420378603 536368316 /nfs/dbraw/zinc/36/83/16/536368316.db2.gz MHGVSGYWWAZBOG-UHFFFAOYSA-N 1 0 286.719 1.077 20 5 CDBDRO CN(CC[NH3+])Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000420378249 536368709 /nfs/dbraw/zinc/36/87/09/536368709.db2.gz LXBIEHNHNSCCMJ-UHFFFAOYSA-N 1 0 250.258 1.127 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000415502791 536372978 /nfs/dbraw/zinc/37/29/78/536372978.db2.gz NYITVQKJFMFNQQ-SNVBAGLBSA-N 1 0 278.312 1.729 20 5 CDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000269177012 536472066 /nfs/dbraw/zinc/47/20/66/536472066.db2.gz ISQZXKIEJCULGQ-CMPLNLGQSA-N 1 0 292.339 1.479 20 5 CDBDRO COc1ccc(CN2C[C@@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000261568019 536861312 /nfs/dbraw/zinc/86/13/12/536861312.db2.gz JICAAVPNCFGMJX-MWLCHTKSSA-N 1 0 265.313 1.382 20 5 CDBDRO CC[N@H+](CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000726624357 574502489 /nfs/dbraw/zinc/50/24/89/574502489.db2.gz FUDLOQUTZGBXIA-UHFFFAOYSA-N 1 0 294.355 1.637 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000727829150 574600565 /nfs/dbraw/zinc/60/05/65/574600565.db2.gz GDOFJLNARFCWPA-VIFPVBQESA-N 1 0 291.311 1.661 20 5 CDBDRO C[N@@H+]1CC[C@H](CNc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000729263847 574742636 /nfs/dbraw/zinc/74/26/36/574742636.db2.gz LTDWPICALGYBJY-SNVBAGLBSA-N 1 0 275.312 1.606 20 5 CDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)OCC[NH+]1CCCCC1 ZINC000770358693 575471466 /nfs/dbraw/zinc/47/14/66/575471466.db2.gz ABLIICWRTWNJDA-UHFFFAOYSA-N 1 0 296.327 1.129 20 5 CDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000773197404 575790246 /nfs/dbraw/zinc/79/02/46/575790246.db2.gz JVJJWFQKJSWLSO-SNVBAGLBSA-N 1 0 295.314 1.948 20 5 CDBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000746384315 576774126 /nfs/dbraw/zinc/77/41/26/576774126.db2.gz YHWIZPARDKVUFS-ZDUSSCGKSA-N 1 0 293.371 1.413 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](CCO)CC2CC2)c1 ZINC000750035929 576972805 /nfs/dbraw/zinc/97/28/05/576972805.db2.gz MJVXJDHTINPSDR-CQSZACIVSA-N 1 0 280.324 1.333 20 5 CDBDRO NC(=O)C1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000750049572 576973822 /nfs/dbraw/zinc/97/38/22/576973822.db2.gz DSNPOASUWUCJEY-UHFFFAOYSA-N 1 0 293.323 1.361 20 5 CDBDRO C[NH2+]C(C)(C)CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000826073107 607838282 /nfs/dbraw/zinc/83/82/82/607838282.db2.gz FFORZFKQGDZXLO-UHFFFAOYSA-N 1 0 291.315 1.185 20 5 CDBDRO CC[NH+](CC)CCCCNc1c([N+](=O)[O-])cnn1C ZINC000892082771 617469709 /nfs/dbraw/zinc/46/97/09/617469709.db2.gz HQQJQJMFZILUCG-UHFFFAOYSA-N 1 0 269.349 1.862 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)c1ccc2nonc2c1[N+](=O)[O-] ZINC000893231834 617476960 /nfs/dbraw/zinc/47/69/60/617476960.db2.gz XJCQSRGZWZFDJU-UHFFFAOYSA-N 1 0 291.311 1.661 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000892536903 617485281 /nfs/dbraw/zinc/48/52/81/617485281.db2.gz LVFDSKFKQWJWOO-GFCCVEGCSA-N 1 0 292.339 1.407 20 5 CDBDRO CC[C@@H]1C[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C[C@H]1O ZINC000892242004 617573399 /nfs/dbraw/zinc/57/33/99/617573399.db2.gz NNMDJMRLVZPLKZ-BXKDBHETSA-N 1 0 296.323 1.512 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](CNc2c([N+](=O)[O-])cnn2C)C1 ZINC000891968278 617902270 /nfs/dbraw/zinc/90/22/70/617902270.db2.gz VOJBRPRNHDUJQW-JTQLQIEISA-N 1 0 267.333 1.472 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000841045008 618678391 /nfs/dbraw/zinc/67/83/91/618678391.db2.gz KDPVLPVGLGDZKF-CYBMUJFWSA-N 1 0 290.367 1.515 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)n1 ZINC000895246323 619492085 /nfs/dbraw/zinc/49/20/85/619492085.db2.gz MYMWFGPOLLPAAN-WCQYABFASA-N 1 0 293.371 1.344 20 5 CDBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H]1C[N@H+](C)CCN1C ZINC000895247322 619494588 /nfs/dbraw/zinc/49/45/88/619494588.db2.gz IMWGPVJESGJHCW-PWSUYJOCSA-N 1 0 279.344 1.036 20 5 CDBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CCN2C)c1[N+](=O)[O-] ZINC000896595821 620161370 /nfs/dbraw/zinc/16/13/70/620161370.db2.gz PITAXYIIFDWJPU-SNVBAGLBSA-N 1 0 281.312 1.103 20 5 CDBDRO C[C@@H]([NH2+]CCO[C@@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927081240 621689499 /nfs/dbraw/zinc/68/94/99/621689499.db2.gz NNQQCGNPFZNMSK-ZYHUDNBSSA-N 1 0 295.339 1.633 20 5 CDBDRO Cc1cc(N(C)C2(C[NH3+])CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000900415291 623026523 /nfs/dbraw/zinc/02/65/23/623026523.db2.gz UYCUHFNNRPBJMC-UHFFFAOYSA-N 1 0 297.330 1.986 20 5 CDBDRO COc1cccc([C@@H](C[NH2+]CC[N+](=O)[O-])N2CCCC2)c1 ZINC000905028410 626391048 /nfs/dbraw/zinc/39/10/48/626391048.db2.gz STMNRUXGMLVJGW-OAHLLOKOSA-N 1 0 293.367 1.698 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000905066661 626614265 /nfs/dbraw/zinc/61/42/65/626614265.db2.gz DFJUSEUQEDCHAZ-NSHDSACASA-N 1 0 267.304 1.518 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCc1ccccc1Br ZINC000905076552 626618812 /nfs/dbraw/zinc/61/88/12/626618812.db2.gz PYPIMWKCLDWUMK-UHFFFAOYSA-N 1 0 273.130 1.858 20 5 CDBDRO CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905204143 626690237 /nfs/dbraw/zinc/69/02/37/626690237.db2.gz YALFJFUIPJTIOC-JOYOIKCWSA-N 1 0 256.277 1.768 20 5 CDBDRO COc1cccc([C@H](C[NH2+]CC[N+](=O)[O-])OC)c1 ZINC000905383401 626778986 /nfs/dbraw/zinc/77/89/86/626778986.db2.gz BJIMNGNBXSSTIJ-LBPRGKRZSA-N 1 0 254.286 1.249 20 5 CDBDRO CC[N@@H+]1CCCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000910286410 628961654 /nfs/dbraw/zinc/96/16/54/628961654.db2.gz GTBXHERKYIGXSL-VIFPVBQESA-N 1 0 295.343 1.183 20 5 CDBDRO C[NH2+]C[C@H]1CCN(c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000155922983 629294223 /nfs/dbraw/zinc/29/42/23/629294223.db2.gz MJBAHVZIFIHYRR-SNVBAGLBSA-N 1 0 265.313 1.649 20 5 CDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000157340058 630594503 /nfs/dbraw/zinc/59/45/03/630594503.db2.gz SCQSEOPWJOXKOI-NSHDSACASA-N 1 0 294.355 1.493 20 5 CDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000915627902 631775718 /nfs/dbraw/zinc/77/57/18/631775718.db2.gz WFCVGCQAANHQKA-CYBMUJFWSA-N 1 0 279.340 1.911 20 5 CDBDRO O=[N+]([O-])CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000930060169 632510817 /nfs/dbraw/zinc/51/08/17/632510817.db2.gz GMICSHJNTAXTGO-AAEUAGOBSA-N 1 0 253.346 1.212 20 5 CDBDRO CCC1(Nc2cnc3ccc([N+](=O)[O-])cc3n2)C[NH2+]C1 ZINC001157777840 1162414317 /nfs/dbraw/zinc/41/43/17/1162414317.db2.gz WELZMUFTNYQNIE-UHFFFAOYSA-N 1 0 273.296 1.702 20 5 CDBDRO C[C@@H](Nc1nc(Cl)ccc1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001170566062 1162932020 /nfs/dbraw/zinc/93/20/20/1162932020.db2.gz DMPHKLFAULFSIG-APPZFPTMSA-N 1 0 286.719 1.432 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC[N@@H+]4CC[C@H]4C3)nc21 ZINC001158431652 1162996201 /nfs/dbraw/zinc/99/62/01/1162996201.db2.gz FPTVQQINRPOLHD-VIFPVBQESA-N 1 0 273.296 1.365 20 5 CDBDRO Cc1c(F)cnc(-n2cc3c(n2)CC[C@H]([NH3+])C3)c1[N+](=O)[O-] ZINC001168808873 1161988301 /nfs/dbraw/zinc/98/83/01/1161988301.db2.gz OEFMRAVYHWZFHW-VIFPVBQESA-N 1 0 291.286 1.439 20 5 CDBDRO NC(=O)C1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCCCC1 ZINC001168966602 1161996012 /nfs/dbraw/zinc/99/60/12/1161996012.db2.gz JQNXGJLWJKICHU-QWRGUYRKSA-N 1 0 269.345 1.210 20 5 CDBDRO O=C1Nc2ccccc2C[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967073 1161996484 /nfs/dbraw/zinc/99/64/84/1161996484.db2.gz NAAPHPUNNLIXHM-QKCSRTOESA-N 1 0 289.335 1.585 20 5 CDBDRO CCOc1nc(NC2(C)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001157402880 1162063433 /nfs/dbraw/zinc/06/34/33/1162063433.db2.gz HZPKORGUKBTCHW-UHFFFAOYSA-N 1 0 280.328 1.943 20 5 CDBDRO [NH3+]Cc1cnn(-c2nccc(Cl)c2[N+](=O)[O-])c1 ZINC001157471799 1162107368 /nfs/dbraw/zinc/10/73/68/1162107368.db2.gz MWSOXUPIHRZZOA-UHFFFAOYSA-N 1 0 253.649 1.288 20 5 CDBDRO C[NH+]1CC2(CN(c3ccc4cccc([N+](=O)[O-])c4n3)C2)C1 ZINC001158863481 1163722300 /nfs/dbraw/zinc/72/23/00/1163722300.db2.gz AOOIPLGQBREUIO-UHFFFAOYSA-N 1 0 284.319 1.895 20 5 CDBDRO Nc1cc(N2C[C@@H]([NH3+])Cc3ccccc32)ncc1[N+](=O)[O-] ZINC001155300092 1167120146 /nfs/dbraw/zinc/12/01/46/1167120146.db2.gz SVQIOVOWINNWTL-JTQLQIEISA-N 1 0 285.307 1.594 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001155582835 1167241655 /nfs/dbraw/zinc/24/16/55/1167241655.db2.gz ALSLCHDEJXAJLD-USWWRNFRSA-N 1 0 262.313 1.708 20 5 CDBDRO C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC001576542262 1171451622 /nfs/dbraw/zinc/45/16/22/1171451622.db2.gz VIYGEDGIQWTRJE-GZBFAFLISA-N 1 0 289.335 1.567 20 5 CDBDRO C[C@@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)C[C@H]1CC[NH3+] ZINC001579444477 1172180875 /nfs/dbraw/zinc/18/08/75/1172180875.db2.gz OHHYBOJWULCQDV-NXEZZACHSA-N 1 0 297.330 1.647 20 5 CDBDRO C[C@@H]1C[NH2+]C[C@H]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC001579460726 1172186768 /nfs/dbraw/zinc/18/67/68/1172186768.db2.gz KPQSKUFRTKTJBS-MNOVXSKESA-N 1 0 287.323 1.709 20 5 CDBDRO Cc1ccc(CNC(=O)NC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC001579696668 1172243014 /nfs/dbraw/zinc/24/30/14/1172243014.db2.gz XKBAGAHCDAFRLH-LBPRGKRZSA-N 1 0 294.355 1.686 20 5 CDBDRO Cc1cnc(OC[C@@H]2C[C@]3(CC[NH2+]C3)CO2)c([N+](=O)[O-])c1 ZINC001579822646 1172272444 /nfs/dbraw/zinc/27/24/44/1172272444.db2.gz LWQSELAQZZQPGO-FZMZJTMJSA-N 1 0 293.323 1.446 20 5 CDBDRO [NH3+]CCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001580312835 1172400918 /nfs/dbraw/zinc/40/09/18/1172400918.db2.gz ZEDXKHYHQCDCAC-UHFFFAOYSA-N 1 0 266.688 1.589 20 5 CDBDRO Nc1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC001580448220 1172439470 /nfs/dbraw/zinc/43/94/70/1172439470.db2.gz YNSNOLJYRCVQPH-AOOOYVTPSA-N 1 0 291.311 1.145 20 5 CDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C[C@H]1F ZINC001580570144 1172470855 /nfs/dbraw/zinc/47/08/55/1172470855.db2.gz OIZGMVPNUSMZEI-GHMZBOCLSA-N 1 0 299.277 1.093 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1C[C@H]2CC[NH2+]C[C@H]21 ZINC001580833359 1172550941 /nfs/dbraw/zinc/55/09/41/1172550941.db2.gz OABVLBJSSMKRTN-VXNVDRBHSA-N 1 0 267.310 1.090 20 5 CDBDRO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590309854 1173348133 /nfs/dbraw/zinc/34/81/33/1173348133.db2.gz QVNNCAJMPHSFCR-DTWKUNHWSA-N 1 0 288.311 1.615 20 5 CDBDRO Cc1nc(N[C@H]2C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000123831461 1175272067 /nfs/dbraw/zinc/27/20/67/1175272067.db2.gz OPUKAYJCFJYUHP-NSHDSACASA-N 1 0 262.313 1.804 20 5 CDBDRO CCN1CCC[C@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158612359 1178225105 /nfs/dbraw/zinc/22/51/05/1178225105.db2.gz KEZAMEPIXLHPOM-GJZGRUSLSA-N 1 0 293.367 1.702 20 5 CDBDRO CC(C)N(C)CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158641203 1178226791 /nfs/dbraw/zinc/22/67/91/1178226791.db2.gz ODGLAINGZITIKC-CQSZACIVSA-N 1 0 281.356 1.558 20 5 CDBDRO CC(C)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609095017 1164766377 /nfs/dbraw/zinc/76/63/77/1164766377.db2.gz ORWAKZMANJXSOD-UHFFFAOYSA-N 1 0 290.327 1.863 20 5 CDBDRO CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000110939634 1166537348 /nfs/dbraw/zinc/53/73/48/1166537348.db2.gz OPEVJKWOENIMJE-CQSZACIVSA-N 1 0 291.351 1.738 20 5 CDBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000796205271 837665650 /nfs/dbraw/zinc/66/56/50/837665650.db2.gz XCFZZDOPHNRUNA-ZIAGYGMSSA-N 1 0 280.324 1.739 20 5 CDBDRO CC[C@@H]([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831217685 837710620 /nfs/dbraw/zinc/71/06/20/837710620.db2.gz GWBRYPGULMRUOM-SNVBAGLBSA-N 1 0 271.704 1.602 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000886274648 835753829 /nfs/dbraw/zinc/75/38/29/835753829.db2.gz YATVNFSUTJXOBD-LLVKDONJSA-N 1 0 288.311 1.103 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[NH2+]C1(C)C ZINC000925493709 835768980 /nfs/dbraw/zinc/76/89/80/835768980.db2.gz YRLSUIASQYCNCC-ZDUSSCGKSA-N 1 0 279.340 1.834 20 5 CDBDRO O=[N+]([O-])c1cc([N+](=O)[O-])n(CCC[NH+]2CCCCC2)n1 ZINC000829838244 835791994 /nfs/dbraw/zinc/79/19/94/835791994.db2.gz USJUSGKHRAJHTQ-UHFFFAOYSA-N 1 0 283.288 1.576 20 5 CDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000931040157 835816958 /nfs/dbraw/zinc/81/69/58/835816958.db2.gz ASWXDTIFBLROJG-WFASDCNBSA-N 1 0 293.367 1.998 20 5 CDBDRO CC(C)(C)OC(=O)NC[C@@](C)([NH2+]CC[N+](=O)[O-])C1CC1 ZINC000791053183 835834545 /nfs/dbraw/zinc/83/45/45/835834545.db2.gz BKHMHRUANXIBGX-CYBMUJFWSA-N 1 0 287.360 1.546 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)Cc1cccnc1[N+](=O)[O-] ZINC000886138436 835876197 /nfs/dbraw/zinc/87/61/97/835876197.db2.gz KJGFPFNAUBUIJD-UHFFFAOYSA-N 1 0 264.329 1.516 20 5 CDBDRO C[C@H]([NH3+])CN(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702057477 835994983 /nfs/dbraw/zinc/99/49/83/835994983.db2.gz WRUMIXPJUVFJON-ZETCQYMHSA-N 1 0 271.704 1.667 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000129246517 836019592 /nfs/dbraw/zinc/01/95/92/836019592.db2.gz CCKNIXWYYGGKHO-PSASIEDQSA-N 1 0 281.287 1.686 20 5 CDBDRO CC[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000923343381 836034915 /nfs/dbraw/zinc/03/49/15/836034915.db2.gz AJWXSPIJUVTDMC-UGFHNGPFSA-N 1 0 293.367 1.687 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[NH2+][C@H]1C ZINC000925488949 836065471 /nfs/dbraw/zinc/06/54/71/836065471.db2.gz HIYLRRVDNMWRNX-GXFFZTMASA-N 1 0 279.340 1.834 20 5 CDBDRO CC(C)CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001000676204 836273576 /nfs/dbraw/zinc/27/35/76/836273576.db2.gz ZMJLPPRDBWFCBF-ZIAGYGMSSA-N 1 0 295.383 1.446 20 5 CDBDRO CCN1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1=O ZINC000824886922 836366634 /nfs/dbraw/zinc/36/66/34/836366634.db2.gz OCLDDIIVEQUPLI-JTQLQIEISA-N 1 0 297.742 1.959 20 5 CDBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1F)[C@@H]1CCC[N@H+](C)C1 ZINC000053245464 836409161 /nfs/dbraw/zinc/40/91/61/836409161.db2.gz GXRIACAJHIGRTP-LLVKDONJSA-N 1 0 295.314 1.900 20 5 CDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000715083611 836884338 /nfs/dbraw/zinc/88/43/38/836884338.db2.gz XXSMVYXSMTZTIP-WKFQBHICSA-N 1 0 283.715 1.715 20 5 CDBDRO C[N@H+](CC[N+](=O)[O-])CC(C)(C)CNC(=O)OC(C)(C)C ZINC000929773843 836915600 /nfs/dbraw/zinc/91/56/00/836915600.db2.gz JIUHNQYHUNEKGH-UHFFFAOYSA-N 1 0 289.376 1.746 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000235644902 836971839 /nfs/dbraw/zinc/97/18/39/836971839.db2.gz FDABIRCZEWEYLB-XVKPBYJWSA-N 1 0 267.260 1.153 20 5 CDBDRO CCN1CC[C@@H]1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000883355000 837037735 /nfs/dbraw/zinc/03/77/35/837037735.db2.gz GQQMKQNVLJKVCL-ZYHUDNBSSA-N 1 0 278.356 1.922 20 5 CDBDRO CC(C)[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000843336619 837060502 /nfs/dbraw/zinc/06/05/02/837060502.db2.gz AVCXBYWRILAONI-UHFFFAOYSA-N 1 0 280.328 1.295 20 5 CDBDRO CC(C)[C@H](C(=O)OCCC[N+](=O)[O-])[NH+]1CCCCC1 ZINC000860921183 837857068 /nfs/dbraw/zinc/85/70/68/837857068.db2.gz PELQGPAXTKBSBA-GFCCVEGCSA-N 1 0 272.345 1.707 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCN(C)C1 ZINC000850432095 837872554 /nfs/dbraw/zinc/87/25/54/837872554.db2.gz QZTWQFOYRXSVGM-GHMZBOCLSA-N 1 0 279.340 1.958 20 5 CDBDRO COc1ccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000136476777 837891808 /nfs/dbraw/zinc/89/18/08/837891808.db2.gz MMSJCWLBZCVCAV-LLVKDONJSA-N 1 0 281.312 1.915 20 5 CDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)C[C@H](C)[NH3+] ZINC000702075016 838013656 /nfs/dbraw/zinc/01/36/56/838013656.db2.gz LWPHAACFYCOTNM-VIFPVBQESA-N 1 0 281.312 1.413 20 5 CDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)cc1F ZINC000719109260 838805321 /nfs/dbraw/zinc/80/53/21/838805321.db2.gz NYRZQFNUNZNQFY-LLVKDONJSA-N 1 0 296.298 1.929 20 5 CDBDRO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886001929 838833488 /nfs/dbraw/zinc/83/34/88/838833488.db2.gz NCYULNKPOIMFOQ-ZYHUDNBSSA-N 1 0 265.313 1.725 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000087383659 838990373 /nfs/dbraw/zinc/99/03/73/838990373.db2.gz MZHQNURDZBATHU-LLVKDONJSA-N 1 0 283.715 1.715 20 5 CDBDRO COc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)ccc1[N+](=O)[O-] ZINC000261863594 839092067 /nfs/dbraw/zinc/09/20/67/839092067.db2.gz YFBFFLASRZCZDG-PSASIEDQSA-N 1 0 279.296 1.165 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1-c1nc(C2([NH3+])CCC2)no1 ZINC000842620651 839113035 /nfs/dbraw/zinc/11/30/35/839113035.db2.gz QTBLHTHOAIQJDG-UHFFFAOYSA-N 1 0 275.268 1.565 20 5 CDBDRO C[C@H](CO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866240849 839265713 /nfs/dbraw/zinc/26/57/13/839265713.db2.gz OTLZJMUVMPFZMN-RKDXNWHRSA-N 1 0 256.277 1.635 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000843507288 839301481 /nfs/dbraw/zinc/30/14/81/839301481.db2.gz LMLDMIXWVZKOBD-SFYZADRCSA-N 1 0 266.301 1.033 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000823200731 839306405 /nfs/dbraw/zinc/30/64/05/839306405.db2.gz LWTWKUQQNMRQIN-LLVKDONJSA-N 1 0 271.361 1.280 20 5 CDBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886144811 839315160 /nfs/dbraw/zinc/31/51/60/839315160.db2.gz HWVRXRIZEPRNIL-NEPJUHHUSA-N 1 0 281.312 1.273 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825897312 839384176 /nfs/dbraw/zinc/38/41/76/839384176.db2.gz YYAJCSBSUFHYKY-ZDUSSCGKSA-N 1 0 295.339 1.085 20 5 CDBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000854496947 839481488 /nfs/dbraw/zinc/48/14/88/839481488.db2.gz VDNVQOOMFLYYNE-GFCCVEGCSA-N 1 0 292.339 1.990 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH3+])c1C ZINC000884237504 839571805 /nfs/dbraw/zinc/57/18/05/839571805.db2.gz FDYBISKGRLBBQE-MRVPVSSYSA-N 1 0 265.313 1.536 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841077249 839716928 /nfs/dbraw/zinc/71/69/28/839716928.db2.gz GCSRXWHDEGKWCO-IAZYJMLFSA-N 1 0 267.716 1.556 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+](CCCO)C2CC2)cc1 ZINC000776585610 839912855 /nfs/dbraw/zinc/91/28/55/839912855.db2.gz XUNKIDMNMGJYOD-CQSZACIVSA-N 1 0 280.324 1.475 20 5 CDBDRO CN(Cc1cccnc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000885963940 839923773 /nfs/dbraw/zinc/92/37/73/839923773.db2.gz SMEBKALYHNWZTC-LBPRGKRZSA-N 1 0 265.313 1.991 20 5 CDBDRO C[C@@]([NH3+])(C(=O)NCC1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC000876999555 840018714 /nfs/dbraw/zinc/01/87/14/840018714.db2.gz FZBIWHAEKJFYOO-HNNXBMFYSA-N 1 0 289.335 1.851 20 5 CDBDRO CON1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819372358 840174181 /nfs/dbraw/zinc/17/41/81/840174181.db2.gz AGDBOWWGQUKOEI-CQSZACIVSA-N 1 0 295.339 1.244 20 5 CDBDRO Cc1c(CNC(=O)CC[NH2+]CC2CC2)cccc1[N+](=O)[O-] ZINC000870927960 840176576 /nfs/dbraw/zinc/17/65/76/840176576.db2.gz PJLRMSIVAVGBSG-UHFFFAOYSA-N 1 0 291.351 1.909 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000779570121 840199114 /nfs/dbraw/zinc/19/91/14/840199114.db2.gz KZVPMGGRQSPQGZ-VXGBXAGGSA-N 1 0 292.339 1.390 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000070175933 840290683 /nfs/dbraw/zinc/29/06/83/840290683.db2.gz CVLDHLBIKCSZCI-ZANVPECISA-N 1 0 295.314 1.933 20 5 CDBDRO CCN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[NH2+]C1 ZINC000311468676 840367488 /nfs/dbraw/zinc/36/74/88/840367488.db2.gz XSXMBDWYDKTASP-GFCCVEGCSA-N 1 0 267.304 1.918 20 5 CDBDRO [NH3+]CCCCCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000700522533 840393785 /nfs/dbraw/zinc/39/37/85/840393785.db2.gz GVJDYVKTVMPTRB-UHFFFAOYSA-N 1 0 271.342 1.905 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000886042346 840492090 /nfs/dbraw/zinc/49/20/90/840492090.db2.gz ZKPKPFXSQATYFQ-UHFFFAOYSA-N 1 0 299.334 1.707 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000825250097 840536007 /nfs/dbraw/zinc/53/60/07/840536007.db2.gz USJVVPHOAUHSEP-LLVKDONJSA-N 1 0 278.312 1.047 20 5 CDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC(C[NH+](C)C)C1 ZINC000854722086 840566473 /nfs/dbraw/zinc/56/64/73/840566473.db2.gz NMTRBDIKFQMDOW-UHFFFAOYSA-N 1 0 295.314 1.676 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[NH2+]C2)c1C ZINC000884011522 840758592 /nfs/dbraw/zinc/75/85/92/840758592.db2.gz HMWWPBDBAHHWSP-NSHDSACASA-N 1 0 277.324 1.693 20 5 CDBDRO Cc1nc([N+](=O)[O-])cn1CCc1nc([C@@H]([NH3+])C(C)C)no1 ZINC000843155643 840761923 /nfs/dbraw/zinc/76/19/23/840761923.db2.gz WJOODFSVLQRMHX-NSHDSACASA-N 1 0 294.315 1.381 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000823235924 840782960 /nfs/dbraw/zinc/78/29/60/840782960.db2.gz VWVNAEOUGXBCAS-YUMQZZPRSA-N 1 0 256.306 1.508 20 5 CDBDRO [NH3+][C@H](CC1CC1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000083458661 840813582 /nfs/dbraw/zinc/81/35/82/840813582.db2.gz KEXSTIJBTUYVSE-GFCCVEGCSA-N 1 0 263.297 1.338 20 5 CDBDRO CC(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985433608 840867751 /nfs/dbraw/zinc/86/77/51/840867751.db2.gz MKXKUXZDFUDBEH-CHWSQXEVSA-N 1 0 283.372 1.230 20 5 CDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cn1cc([N+](=O)[O-])cn1 ZINC000795706023 840895360 /nfs/dbraw/zinc/89/53/60/840895360.db2.gz KFWBFBBBHNZZRR-VXGBXAGGSA-N 1 0 279.344 1.307 20 5 CDBDRO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H](O)C1CC1 ZINC000776591234 840951473 /nfs/dbraw/zinc/95/14/73/840951473.db2.gz HUVOHKUZNDQVIW-KGLIPLIRSA-N 1 0 280.324 1.331 20 5 CDBDRO [NH2+]=C(NCCNc1ccc([N+](=O)[O-])cc1)NC1CCC1 ZINC000848982744 840997512 /nfs/dbraw/zinc/99/75/12/840997512.db2.gz JKOPVRLRSDRFBU-UHFFFAOYSA-N 1 0 277.328 1.673 20 5 CDBDRO Nc1ccc(-c2noc([C@H]3C[C@@H]([NH3+])C3)n2)cc1[N+](=O)[O-] ZINC000843169348 841072916 /nfs/dbraw/zinc/07/29/16/841072916.db2.gz CVFNWKYLHMFHNY-OCAPTIKFSA-N 1 0 275.268 1.432 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886839383 841103898 /nfs/dbraw/zinc/10/38/98/841103898.db2.gz CTDMOUQRVDGLGU-JFGNBEQYSA-N 1 0 264.329 1.466 20 5 CDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000715081681 841363249 /nfs/dbraw/zinc/36/32/49/841363249.db2.gz KXLHVZPEFWCVDE-OCAPTIKFSA-N 1 0 283.715 1.715 20 5 CDBDRO CC1([NH3+])CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000843467510 841390166 /nfs/dbraw/zinc/39/01/66/841390166.db2.gz FPOUVEMARPEMFR-QPJJXVBHSA-N 1 0 289.335 1.948 20 5 CDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000089092030 841403293 /nfs/dbraw/zinc/40/32/93/841403293.db2.gz INZKWFMAWOACIV-CABZTGNLSA-N 1 0 299.352 1.001 20 5 CDBDRO C[NH+](C)C1(CNc2ccnc(F)c2[N+](=O)[O-])CCOCC1 ZINC000881983063 841805125 /nfs/dbraw/zinc/80/51/25/841805125.db2.gz RCNOCYWYNRCFOL-UHFFFAOYSA-N 1 0 298.318 1.652 20 5 CDBDRO COCCCC[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000842170669 841853622 /nfs/dbraw/zinc/85/36/22/841853622.db2.gz AVPZJPNKWYTPPL-AWEZNQCLSA-N 1 0 282.340 1.987 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCC=CO2)c1 ZINC000819246641 841863160 /nfs/dbraw/zinc/86/31/60/841863160.db2.gz OFPOZJJJFMOTOL-UONOGXRCSA-N 1 0 278.308 1.911 20 5 CDBDRO COc1ccc(C[NH2+]CC2OCCCO2)cc1[N+](=O)[O-] ZINC000922277220 841899154 /nfs/dbraw/zinc/89/91/54/841899154.db2.gz LBQALBWDEYXREB-UHFFFAOYSA-N 1 0 282.296 1.456 20 5 CDBDRO C[S@](=O)C1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819285738 842131941 /nfs/dbraw/zinc/13/19/41/842131941.db2.gz BRHHOQOHBWLMFA-ODXCJYRJSA-N 1 0 298.364 1.129 20 5 CDBDRO CC(C)C[C@@H]1CN(C)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000886589466 842159960 /nfs/dbraw/zinc/15/99/60/842159960.db2.gz WDGIAOQBWVNZTM-LLVKDONJSA-N 1 0 295.339 1.990 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc(C[C@@H]3COCC[NH2+]3)n2)cc1 ZINC000129623246 842228361 /nfs/dbraw/zinc/22/83/61/842228361.db2.gz FXELOVNEIDXMEZ-SNVBAGLBSA-N 1 0 290.279 1.176 20 5 CDBDRO O=[N+]([O-])CC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000930299095 842284636 /nfs/dbraw/zinc/28/46/36/842284636.db2.gz BCCHSKAEWUPDGL-XQQFMLRXSA-N 1 0 256.346 1.669 20 5 CDBDRO [NH3+][C@H]1C[C@@H](c2nc(-c3ccc([N+](=O)[O-])s3)no2)C1 ZINC000843218873 842431255 /nfs/dbraw/zinc/43/12/55/842431255.db2.gz ICZUORDPUFLXBW-OLQVQODUSA-N 1 0 266.282 1.911 20 5 CDBDRO C[NH2+]C[C@@H](C)c1noc(Cc2cccc([N+](=O)[O-])c2)n1 ZINC000842577945 842626701 /nfs/dbraw/zinc/62/67/01/842626701.db2.gz YLYRCZHLNVWPCZ-SECBINFHSA-N 1 0 276.296 1.892 20 5 CDBDRO CC[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000776596478 842954418 /nfs/dbraw/zinc/95/44/18/842954418.db2.gz FCCCCJNHJNSEDF-DDTOSNHZSA-N 1 0 280.324 1.331 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2C[C@@H](O)C2)c1F ZINC001173178771 912283010 /nfs/dbraw/zinc/28/30/10/912283010.db2.gz MAFWDIZMNIEPGH-BBBLOLIVSA-N 1 0 298.314 1.786 20 5 CDBDRO CC[C@@]([NH3+])(CO)N[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220037 912306668 /nfs/dbraw/zinc/30/66/68/912306668.db2.gz SDEORIBELUIMQA-GWCFXTLKSA-N 1 0 267.329 1.173 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCn1cncn1 ZINC001173224643 912318384 /nfs/dbraw/zinc/31/83/84/912318384.db2.gz OJDVMNNSHKDRDL-GFCCVEGCSA-N 1 0 289.339 1.797 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1COC[C@@H]1F ZINC001173228328 912322076 /nfs/dbraw/zinc/32/20/76/912322076.db2.gz JDBFBUQPHUELRQ-TVYUQYBPSA-N 1 0 268.288 1.852 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(C)OCC[NH3+] ZINC001173234867 912330352 /nfs/dbraw/zinc/33/03/52/912330352.db2.gz QMXCILYNBITPHZ-JTQLQIEISA-N 1 0 253.302 1.348 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCNC1=O ZINC001173213873 912334656 /nfs/dbraw/zinc/33/46/56/912334656.db2.gz LNSHCFGLBDFMLI-GXFFZTMASA-N 1 0 277.324 1.394 20 5 CDBDRO CC(=O)NCC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173213659 912334783 /nfs/dbraw/zinc/33/47/83/912334783.db2.gz HECSHCJAHKSPAY-JTQLQIEISA-N 1 0 265.313 1.252 20 5 CDBDRO [NH3+]Cc1cnc2c(ccn2-c2cccnc2[N+](=O)[O-])c1 ZINC001167311575 895218041 /nfs/dbraw/zinc/21/80/41/895218041.db2.gz RNZMOIQGYKUIQZ-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO Cc1ccc(NC(=O)C23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000694812620 898704309 /nfs/dbraw/zinc/70/43/09/898704309.db2.gz OZWBJFBLTIXJKM-UHFFFAOYSA-N 1 0 261.281 1.594 20 5 CDBDRO CC[C@H]1COC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000699831840 914332390 /nfs/dbraw/zinc/33/23/90/914332390.db2.gz ABBBKKYPZBGGPJ-SMDDNHRTSA-N 1 0 280.324 1.988 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1NC1(CO)CCCC1)C[NH2+]C2 ZINC001167806916 900998888 /nfs/dbraw/zinc/99/88/88/900998888.db2.gz OPYJDJFVBLPLIM-UHFFFAOYSA-N 1 0 277.324 1.915 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709954698 902531049 /nfs/dbraw/zinc/53/10/49/902531049.db2.gz SKOVKBKPJBIFRY-CYBMUJFWSA-N 1 0 280.303 1.709 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(O)c1Cl ZINC001226713068 905512380 /nfs/dbraw/zinc/51/23/80/905512380.db2.gz YKHVPRUTSAPSRG-SECBINFHSA-O 1 0 288.751 1.408 20 5 CDBDRO NC(=[NH2+])c1nccn1-c1c(Cl)nccc1[N+](=O)[O-] ZINC001168410462 911821251 /nfs/dbraw/zinc/82/12/51/911821251.db2.gz NCQBOFAYOUBDOU-UHFFFAOYSA-N 1 0 266.648 1.113 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@]1(C)CCC[N@@H+](C)C1 ZINC001162337519 922343627 /nfs/dbraw/zinc/34/36/27/922343627.db2.gz PXFHOHXNFNOXHF-CYBMUJFWSA-N 1 0 280.328 1.433 20 5 CDBDRO CN(C[C@@H]1CC[NH2+]C1)c1nccc(Cl)c1[N+](=O)[O-] ZINC001166955136 925366681 /nfs/dbraw/zinc/36/66/81/925366681.db2.gz QVJPIDOYZYGAOA-MRVPVSSYSA-N 1 0 270.720 1.689 20 5 CDBDRO COC(=O)c1ccnc(N[C@@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001154984507 926290854 /nfs/dbraw/zinc/29/08/54/926290854.db2.gz GEVTZKQKHMLCRW-DTWKUNHWSA-N 1 0 294.311 1.458 20 5 CDBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1N ZINC001155029198 926430718 /nfs/dbraw/zinc/43/07/18/926430718.db2.gz FBRXITUMEOFVDZ-VHSXEESVSA-N 1 0 279.344 1.620 20 5 CDBDRO COCCCN(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001308293028 937163206 /nfs/dbraw/zinc/16/32/06/937163206.db2.gz PJUFNYAKYKXASJ-UHFFFAOYSA-N 1 0 281.356 1.653 20 5 CDBDRO [NH3+]CCc1cnn(-c2ccc([N+](=O)[O-])c3cnccc32)c1 ZINC001168946899 927551441 /nfs/dbraw/zinc/55/14/41/927551441.db2.gz QDBLCESGEHQLBQ-UHFFFAOYSA-N 1 0 283.291 1.830 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C23CCC(O)(CC2)CC3)C1 ZINC001168976280 927562288 /nfs/dbraw/zinc/56/22/88/927562288.db2.gz CHMYFFSAURJXHO-FEPKRQSRSA-N 1 0 268.357 1.859 20 5 CDBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cnn(C)c1 ZINC001168978040 927566204 /nfs/dbraw/zinc/56/62/04/927566204.db2.gz NWRPTMWFSRAGJK-UMNHJUIQSA-N 1 0 252.318 1.516 20 5 CDBDRO COC(=O)c1cncc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168985438 927575231 /nfs/dbraw/zinc/57/52/31/927575231.db2.gz FGCBCOHXVFYXEH-ZWNOBZJWSA-N 1 0 293.323 1.403 20 5 CDBDRO Cc1nc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c(C)o1 ZINC001168959040 927580176 /nfs/dbraw/zinc/58/01/76/927580176.db2.gz SQTDZOCBDJKVHU-QWRGUYRKSA-N 1 0 253.302 1.826 20 5 CDBDRO Cc1cnc(CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)nc1 ZINC001168962414 927584093 /nfs/dbraw/zinc/58/40/93/927584093.db2.gz MMRSHZQWOVJJBG-NWDGAFQWSA-N 1 0 264.329 1.363 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc(O)c2)C1 ZINC001168965941 927588858 /nfs/dbraw/zinc/58/88/58/927588858.db2.gz DTDXSWCZBYKNSX-NEPJUHHUSA-N 1 0 250.298 1.927 20 5 CDBDRO CC(C)(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cnccn1 ZINC001168965948 927589068 /nfs/dbraw/zinc/58/90/68/927589068.db2.gz DXGNDIFGFVEWGG-VXGBXAGGSA-N 1 0 278.356 1.789 20 5 CDBDRO C[C@H](CN1CCCC1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968163 927592493 /nfs/dbraw/zinc/59/24/93/927592493.db2.gz XBLQZJSKCZAICP-JHJVBQTASA-N 1 0 255.362 1.506 20 5 CDBDRO CCn1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168972652 927596022 /nfs/dbraw/zinc/59/60/22/927596022.db2.gz NOMHZHUUNQBTNS-WDEREUQCSA-N 1 0 252.318 1.438 20 5 CDBDRO COC(=O)[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168975861 927598463 /nfs/dbraw/zinc/59/84/63/927598463.db2.gz XQFACRJUQZHXQW-ZDEQEGDKSA-N 1 0 284.356 1.753 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc(CCO)c2)C1 ZINC001168996597 927602694 /nfs/dbraw/zinc/60/26/94/927602694.db2.gz WJEXPYSBKVAIGQ-LSDHHAIUSA-N 1 0 278.352 1.756 20 5 CDBDRO O=C1Cc2cc(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)ccc2N1 ZINC001169003557 927605181 /nfs/dbraw/zinc/60/51/81/927605181.db2.gz OCEXPAQVGVNYNQ-AAEUAGOBSA-N 1 0 289.335 1.716 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](n2ncc3c2CC[NH2+]C3)C1 ZINC001169011028 927616160 /nfs/dbraw/zinc/61/61/60/927616160.db2.gz HKJWMXUXUFBFML-KOLCDFICSA-N 1 0 250.302 1.147 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCc3cc(CO)ccc3C2)C1 ZINC001169011264 927618099 /nfs/dbraw/zinc/61/80/99/927618099.db2.gz JAVRGBSVGWXWPO-LRDDRELGSA-N 1 0 290.363 1.982 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2ccccc2O)C1 ZINC001168986644 927622034 /nfs/dbraw/zinc/62/20/34/927622034.db2.gz YCIZMPVFFNVMQC-AAEUAGOBSA-N 1 0 264.325 1.970 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(CO)CCSCC2)C1 ZINC001168988421 927626823 /nfs/dbraw/zinc/62/68/23/927626823.db2.gz SAQCPHGRDTVVMA-WDEREUQCSA-N 1 0 274.386 1.280 20 5 CDBDRO [NH3+]Cc1ccc(N[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001168990502 927629646 /nfs/dbraw/zinc/62/96/46/927629646.db2.gz ZTIHRDLNFHJJEA-NXEZZACHSA-N 1 0 250.302 1.398 20 5 CDBDRO CCO[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169027459 927632067 /nfs/dbraw/zinc/63/20/67/927632067.db2.gz PYWNWQKWWFMOSX-FRRDWIJNSA-N 1 0 256.346 1.933 20 5 CDBDRO O=C1NCCCC12CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169034149 927640416 /nfs/dbraw/zinc/64/04/16/927640416.db2.gz FPLIFFOOWPSDKB-CHWSQXEVSA-N 1 0 295.383 1.424 20 5 CDBDRO C[N@@H+]1C[C@@H]2CCCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)[C@@H]2C1 ZINC001169034508 927641310 /nfs/dbraw/zinc/64/13/10/927641310.db2.gz GRBZLPFJZBBCIF-XJFOESAGSA-N 1 0 267.373 1.458 20 5 CDBDRO CC(C)(C(N)=O)C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169034927 927642474 /nfs/dbraw/zinc/64/24/74/927642474.db2.gz IQUPKGCIWBSXNL-WCQYABFASA-N 1 0 297.399 1.655 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(n3cccn3)CC2)C1 ZINC001169037117 927646354 /nfs/dbraw/zinc/64/63/54/927646354.db2.gz JBOWHZNXKSQAKQ-JSGCOSHPSA-N 1 0 278.356 1.965 20 5 CDBDRO CCCN1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169036678 927647108 /nfs/dbraw/zinc/64/71/08/927647108.db2.gz PODAJCIGOSNQHQ-STQMWFEESA-N 1 0 255.362 1.459 20 5 CDBDRO CC(C)N(C)[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169047015 927666160 /nfs/dbraw/zinc/66/61/60/927666160.db2.gz PPHXOYRABKPQQF-MELADBBJSA-N 1 0 269.389 1.846 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC001169026591 927666257 /nfs/dbraw/zinc/66/62/57/927666257.db2.gz NBPWODJYOLMJBK-ILXRZTDVSA-N 1 0 297.399 1.228 20 5 CDBDRO CCOC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169026108 927667303 /nfs/dbraw/zinc/66/73/03/927667303.db2.gz KTABUMNIYRVTTI-NWDGAFQWSA-N 1 0 256.346 1.933 20 5 CDBDRO COc1ccnc(NCC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC001169558718 928173339 /nfs/dbraw/zinc/17/33/39/928173339.db2.gz PBCADIDLMDYXJO-SECBINFHSA-N 1 0 266.301 1.552 20 5 CDBDRO O=C1NCc2c1c([N+](=O)[O-])ccc2NCC[C@H]1CCC[NH2+]1 ZINC001169570033 928186973 /nfs/dbraw/zinc/18/69/73/928186973.db2.gz UXBRHZMGGYFGFC-SECBINFHSA-N 1 0 290.323 1.392 20 5 CDBDRO C[NH+](C)C[C@@]12C[C@@H]1CN(c1ncc(F)cc1[N+](=O)[O-])C2 ZINC001156376066 928434046 /nfs/dbraw/zinc/43/40/46/928434046.db2.gz LYCRDIBHKHWMME-NOZJJQNGSA-N 1 0 280.303 1.517 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N(C)[C@]2(C)CCC[NH2+]C2)n1 ZINC001156954963 929078836 /nfs/dbraw/zinc/07/88/36/929078836.db2.gz DSFMNQBWIHOXPW-GFCCVEGCSA-N 1 0 265.317 1.272 20 5 CDBDRO Cc1c(NC[C@@H]2COCC[NH2+]2)cc(F)cc1[N+](=O)[O-] ZINC001170045575 929141525 /nfs/dbraw/zinc/14/15/25/929141525.db2.gz RICIZTMCCDSSRU-SNVBAGLBSA-N 1 0 269.276 1.443 20 5 CDBDRO CC(C)CCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001112835728 929479669 /nfs/dbraw/zinc/47/96/69/929479669.db2.gz MVDYZNWJQULMBI-CHWSQXEVSA-N 1 0 283.372 1.232 20 5 CDBDRO O=[N+]([O-])c1cccc2c1ccnc2N[C@H]1C[NH2+]C[C@@H]1CO ZINC001170773832 929921931 /nfs/dbraw/zinc/92/19/31/929921931.db2.gz QQRBOANHOWIVME-SKDRFNHKSA-N 1 0 288.307 1.135 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1N[C@H]1C[NH2+]C[C@H]1CO ZINC001170779106 929957767 /nfs/dbraw/zinc/95/77/67/929957767.db2.gz IPRPLBGOOGSEMN-RYUDHWBXSA-N 1 0 279.340 1.512 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1C ZINC001170865864 930532940 /nfs/dbraw/zinc/53/29/40/930532940.db2.gz RAPBXWFTRUZWNE-NSHDSACASA-N 1 0 284.272 1.281 20 5 CDBDRO CC(C)(CCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[N+](=O)[O-] ZINC000822528300 931166850 /nfs/dbraw/zinc/16/68/50/931166850.db2.gz AMHGCCDLQHCYBU-VXGBXAGGSA-N 1 0 283.372 1.565 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001118060306 937586591 /nfs/dbraw/zinc/58/65/91/937586591.db2.gz YHVRLYXPCADKSY-YGRLFVJLSA-N 1 0 289.335 1.825 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1NC[C@@H]1CCCC[NH2+]1 ZINC001171334368 932744512 /nfs/dbraw/zinc/74/45/12/932744512.db2.gz LXAUETCKQQTPRG-VIFPVBQESA-N 1 0 266.301 1.552 20 5 CDBDRO COc1ncnc(NC[C@H]2CCC[NH2+]C[C@@H]2C)c1[N+](=O)[O-] ZINC001155026539 937622815 /nfs/dbraw/zinc/62/28/15/937622815.db2.gz ULZUBOOBZNSHDM-VHSXEESVSA-N 1 0 295.343 1.441 20 5 CDBDRO [NH3+]Cc1ccnn1-c1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001155124992 937638359 /nfs/dbraw/zinc/63/83/59/937638359.db2.gz ILOXQABUFWXEND-UHFFFAOYSA-N 1 0 288.094 1.941 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001155915464 937688566 /nfs/dbraw/zinc/68/85/66/937688566.db2.gz GOUYUOCAYAZXFU-SSDOTTSWSA-N 1 0 274.708 1.244 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001155922197 937689304 /nfs/dbraw/zinc/68/93/04/937689304.db2.gz VEELTWNPKWTSRH-MLRMMBSGSA-N 1 0 293.371 1.884 20 5 CDBDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC[N+](=O)[O-])C1 ZINC001119744216 937752918 /nfs/dbraw/zinc/75/29/18/937752918.db2.gz VNWVIMKEYHPECQ-GHMZBOCLSA-N 1 0 273.333 1.110 20 5 CDBDRO C[C@@H]1CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)CC[NH2+]1 ZINC001156691764 938406490 /nfs/dbraw/zinc/40/64/90/938406490.db2.gz DGMXGKVFSVZZNC-MRVPVSSYSA-N 1 0 261.285 1.269 20 5 CDBDRO CCOc1nc(N2CC[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC001156692325 938406891 /nfs/dbraw/zinc/40/68/91/938406891.db2.gz OCHQUFDSIKFVDK-SECBINFHSA-N 1 0 266.301 1.187 20 5 CDBDRO CN(c1nc(Cl)ncc1[N+](=O)[O-])[C@]1(C)CCC[NH2+]C1 ZINC001156949458 938437984 /nfs/dbraw/zinc/43/79/84/938437984.db2.gz ZXPBKOYAUVVEOI-LLVKDONJSA-N 1 0 285.735 1.617 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(C)[C@]1(C)CCC[NH2+]C1 ZINC001156968468 938440018 /nfs/dbraw/zinc/44/00/18/938440018.db2.gz TVHXQNQWFVMHGS-CYBMUJFWSA-N 1 0 280.328 1.115 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)nc1-n1ccc2c1CC[NH2+]C2 ZINC001157443120 938491934 /nfs/dbraw/zinc/49/19/34/938491934.db2.gz RWYCWBHUYASLCS-UHFFFAOYSA-N 1 0 279.687 1.475 20 5 CDBDRO NC(=[NH2+])c1nccn1-c1cc(Cl)ncc1[N+](=O)[O-] ZINC001157621402 938521129 /nfs/dbraw/zinc/52/11/29/938521129.db2.gz KQNFQJVHFHAAQQ-UHFFFAOYSA-N 1 0 266.648 1.113 20 5 CDBDRO CCC1(Nc2ncc(Cl)cc2[N+](=O)[O-])C[NH2+]C1 ZINC001157777914 938544534 /nfs/dbraw/zinc/54/45/34/938544534.db2.gz ZMXJNUABJWXOIP-UHFFFAOYSA-N 1 0 256.693 1.807 20 5 CDBDRO [NH3+]CCc1cnn(-c2ccc3[nH]cc([N+](=O)[O-])c3n2)c1 ZINC001158100815 938583527 /nfs/dbraw/zinc/58/35/27/938583527.db2.gz WKCQMNVJNZBIDJ-UHFFFAOYSA-N 1 0 272.268 1.158 20 5 CDBDRO C[C@@H]([NH3+])c1ccn(-c2ncc([N+](=O)[O-])cc2Cl)n1 ZINC001158344681 938610856 /nfs/dbraw/zinc/61/08/56/938610856.db2.gz GRRUZKGRMMKDOH-ZCFIWIBFSA-N 1 0 267.676 1.849 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)[C@@H]1C[NH2+]CCO1 ZINC001159490427 938733197 /nfs/dbraw/zinc/73/31/97/938733197.db2.gz WINIQNLYTWJMRA-KOLCDFICSA-N 1 0 266.301 1.087 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1-n1ccc2cccc(C[NH3+])c21 ZINC001160460428 938789182 /nfs/dbraw/zinc/78/91/82/938789182.db2.gz FFCHJLDCHPOMKO-UHFFFAOYSA-N 1 0 283.291 1.975 20 5 CDBDRO COC(=O)c1ccc(C[NH3+])n1-c1cc([N+](=O)[O-])ccn1 ZINC001161935219 938944669 /nfs/dbraw/zinc/94/46/69/938944669.db2.gz UJOISDLMMNEHSC-UHFFFAOYSA-N 1 0 276.252 1.026 20 5 CDBDRO Cc1nc(NC[C@H]2C[NH2+]CC(C)(C)O2)ccc1[N+](=O)[O-] ZINC001161950820 938947865 /nfs/dbraw/zinc/94/78/65/938947865.db2.gz OOTMYITYJZBEFD-SNVBAGLBSA-N 1 0 280.328 1.477 20 5 CDBDRO COCCC1([NH3+])CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC001162041633 938953595 /nfs/dbraw/zinc/95/35/95/938953595.db2.gz OEWCKHWKEOQTOL-UHFFFAOYSA-N 1 0 294.355 1.632 20 5 CDBDRO [NH3+]Cc1ccnn1-c1cc([N+](=O)[O-])cc(Br)n1 ZINC001162593672 939097998 /nfs/dbraw/zinc/09/79/98/939097998.db2.gz ORABCOQCPZHOBK-UHFFFAOYSA-N 1 0 298.100 1.397 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ccnc1N[C@@H]1C=C[C@@H]2C[NH2+]C[C@H]12 ZINC001162789321 939139199 /nfs/dbraw/zinc/13/91/99/939139199.db2.gz CIIBNBNWXBROSQ-KHQFGBGNSA-N 1 0 280.715 1.829 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C=C[C@@H]2C[NH2+]C[C@@H]12 ZINC001162789506 939139345 /nfs/dbraw/zinc/13/93/45/939139345.db2.gz GXGGTRNQLATKDH-YUSALJHKSA-N 1 0 260.297 1.484 20 5 CDBDRO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3C=C[C@H]4C[NH2+]C[C@@H]43)c2c1 ZINC001162793520 939141795 /nfs/dbraw/zinc/14/17/95/939141795.db2.gz LODFMYQGBITQHV-DUFXMDAXSA-N 1 0 297.318 1.724 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)n1 ZINC001162793726 939141852 /nfs/dbraw/zinc/14/18/52/939141852.db2.gz MGZDSIMKWHMNIL-QJPTWQEYSA-N 1 0 274.324 1.793 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3C=C[C@H]4C[NH2+]C[C@H]43)c21 ZINC001162801517 939145670 /nfs/dbraw/zinc/14/56/70/939145670.db2.gz JWJLMDYESLUWDS-HBNTYKKESA-N 1 0 297.318 1.724 20 5 CDBDRO O=[N+]([O-])c1cnc(Cl)nc1NC1CC2(C1)CCC[NH2+]C2 ZINC001162980865 939167813 /nfs/dbraw/zinc/16/78/13/939167813.db2.gz CDXQLJIUUXYVJS-UHFFFAOYSA-N 1 0 297.746 1.982 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ncc1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001163102613 939200500 /nfs/dbraw/zinc/20/05/00/939200500.db2.gz WPBQZDOVICBKRR-SOCHQFKDSA-N 1 0 298.730 1.290 20 5 CDBDRO Cc1cc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)ncc1[N+](=O)[O-] ZINC001163165222 939218446 /nfs/dbraw/zinc/21/84/46/939218446.db2.gz ARNDUNZMSCIKBB-WZRBSPASSA-N 1 0 292.339 1.335 20 5 CDBDRO [NH3+]CCN(CCO)c1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001163830031 939338730 /nfs/dbraw/zinc/33/87/30/939338730.db2.gz OTIKLMQHOHIKIV-UHFFFAOYSA-N 1 0 294.286 1.040 20 5 CDBDRO COc1nc(C)c(-n2nc(C[NH3+])cc2C)cc1[N+](=O)[O-] ZINC001163984791 939371548 /nfs/dbraw/zinc/37/15/48/939371548.db2.gz BITURKKAJFOCAR-UHFFFAOYSA-N 1 0 277.284 1.260 20 5 CDBDRO Cc1nc(Cl)nc(N2C[C@H](C)CC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC001164062654 939403185 /nfs/dbraw/zinc/40/31/85/939403185.db2.gz MRXKJSCHHWEBFO-VXNVDRBHSA-N 1 0 299.762 1.910 20 5 CDBDRO Cc1nc(N2C[C@@H](C)CC[C@@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC001164076589 939406905 /nfs/dbraw/zinc/40/69/05/939406905.db2.gz FLOVBHNHPKEBLD-WCBMZHEXSA-N 1 0 265.317 1.257 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2C[C@H](C[NH3+])CC[C@H]2C)n1 ZINC001164462752 939475698 /nfs/dbraw/zinc/47/56/98/939475698.db2.gz UBFULUKJGVZSEI-SCZZXKLOSA-N 1 0 265.317 1.257 20 5 CDBDRO C[NH+](C)C[C@@H]1CCCN1c1cc(N)c([N+](=O)[O-])cn1 ZINC001165078536 939508114 /nfs/dbraw/zinc/50/81/14/939508114.db2.gz YUMOXECADJBJIV-VIFPVBQESA-N 1 0 265.317 1.102 20 5 CDBDRO CC(C)(C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2N)CC1 ZINC001165091607 939508894 /nfs/dbraw/zinc/50/88/94/939508894.db2.gz XQPRHXNUYHXDHD-UHFFFAOYSA-N 1 0 279.344 1.493 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CCNc2nccnc2[N+](=O)[O-])C1 ZINC001165261692 939535741 /nfs/dbraw/zinc/53/57/41/939535741.db2.gz RZMWKFNXBJIMTE-JTQLQIEISA-N 1 0 265.317 1.529 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001165393422 939558075 /nfs/dbraw/zinc/55/80/75/939558075.db2.gz SVIHSWCSEIJOGM-DGCLKSJQSA-N 1 0 285.307 1.479 20 5 CDBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1cccc([N+](=O)[O-])n1 ZINC001166701276 939628859 /nfs/dbraw/zinc/62/88/59/939628859.db2.gz SZDJDOUHHCNSBE-VIFPVBQESA-N 1 0 286.295 1.079 20 5 CDBDRO Cc1c(C)c(N2CC[C@@H]([NH3+])C(F)(F)C2)ncc1[N+](=O)[O-] ZINC001166959561 939660531 /nfs/dbraw/zinc/66/05/31/939660531.db2.gz ZOSWXEPECWHGFO-SNVBAGLBSA-N 1 0 286.282 1.779 20 5 CDBDRO COc1ncc(Nc2cc[nH+]cc2C)cc1[N+](=O)[O-] ZINC001210135677 940665539 /nfs/dbraw/zinc/66/55/39/940665539.db2.gz UUVZZHKNRUVTES-UHFFFAOYSA-N 1 0 260.253 1.867 20 5 CDBDRO Nc1ccc(O[C@@H]2CC[NH2+]CC[C@@H]2F)cc1[N+](=O)[O-] ZINC001218026875 941036459 /nfs/dbraw/zinc/03/64/59/941036459.db2.gz WAWHFIHWSWXLSJ-JOYOIKCWSA-N 1 0 269.276 1.646 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)O[C@H]1OC(=O)c2ccccc21 ZINC001223315235 941669324 /nfs/dbraw/zinc/66/93/24/941669324.db2.gz IKBFRLGHBFOCEZ-HZMBPMFUSA-N 1 0 250.318 1.967 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCc1cccc(N(C)C)n1 ZINC001223511736 941682685 /nfs/dbraw/zinc/68/26/85/941682685.db2.gz GCBORYZQKAWSSM-GFCCVEGCSA-N 1 0 252.382 1.759 20 5 CDBDRO C[N@@H+]1CC[C@H](OCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224327888 941743341 /nfs/dbraw/zinc/74/33/41/941743341.db2.gz JATWCHIBCMXZIY-ZDUSSCGKSA-N 1 0 250.298 1.858 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2cccnc21 ZINC001225293195 941840232 /nfs/dbraw/zinc/84/02/32/941840232.db2.gz PGQLDQFDRMFGNU-CYBMUJFWSA-N 1 0 289.355 1.597 20 5 CDBDRO COc1ccc(OC)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001227076655 942127963 /nfs/dbraw/zinc/12/79/63/942127963.db2.gz UINOZRDPWPWXLL-LLVKDONJSA-N 1 0 298.359 1.066 20 5 CDBDRO COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H](C)C[NH+](C)C ZINC001227121884 942135856 /nfs/dbraw/zinc/13/58/56/942135856.db2.gz GYNNIDDNESEFKB-VIFPVBQESA-N 1 0 282.296 1.710 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc(Br)nc1 ZINC001227756608 942220164 /nfs/dbraw/zinc/22/01/64/942220164.db2.gz VLGPNDKVWYQFSF-QMMMGPOBSA-N 1 0 275.170 1.713 20 5 CDBDRO Cc1nc(Cl)nc(O[C@@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001227337432 942167553 /nfs/dbraw/zinc/16/75/53/942167553.db2.gz GNIYUEUMMYGETE-SECBINFHSA-N 1 0 298.730 1.820 20 5 CDBDRO C[N@@H+]1[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])cc3)[C@H]1CC(=O)C2 ZINC001227521281 942183088 /nfs/dbraw/zinc/18/30/88/942183088.db2.gz ORVUCQHHOLFKKQ-GDLCADMTSA-N 1 0 276.292 1.778 20 5 CDBDRO CCC(=O)c1ccccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228454590 942320520 /nfs/dbraw/zinc/32/05/20/942320520.db2.gz LJLMUJYAQYJFAQ-GFCCVEGCSA-N 1 0 294.371 1.642 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2ccoc2c1 ZINC001228725279 942367822 /nfs/dbraw/zinc/36/78/22/942367822.db2.gz VXWZSXHMHVVZNJ-GFCCVEGCSA-N 1 0 278.328 1.795 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2nc(N)sc2n1 ZINC001229991784 942563713 /nfs/dbraw/zinc/56/37/13/942563713.db2.gz DFRJXCFJWXYPIM-MRVPVSSYSA-N 1 0 267.378 1.747 20 5 CDBDRO CC(=O)c1cccc(C)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001230319360 942606714 /nfs/dbraw/zinc/60/67/14/942606714.db2.gz UMBWVSVWDJIIIK-CYBMUJFWSA-N 1 0 294.371 1.560 20 5 CDBDRO C[N@@H+](Cc1ccc2ccc3cccnc3c2n1)C[C@H](O)CO ZINC001232220466 943173615 /nfs/dbraw/zinc/17/36/15/943173615.db2.gz PIJGGXJMXOXFPE-HNNXBMFYSA-N 1 0 297.358 1.568 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000721995991 943577609 /nfs/dbraw/zinc/57/76/09/943577609.db2.gz HXFUNIFRGOPKCL-JTQLQIEISA-N 1 0 281.312 1.088 20 5 CDBDRO CC(C)Oc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cn1 ZINC001234046447 943725848 /nfs/dbraw/zinc/72/58/48/943725848.db2.gz MLBHPECYWBRJDV-GFCCVEGCSA-N 1 0 297.375 1.231 20 5 CDBDRO COc1ccc(O[C@H](C)C[N+](C)(C)C)c(OC)n1 ZINC001234257898 943785826 /nfs/dbraw/zinc/78/58/26/943785826.db2.gz YCNQDPGKHHBACI-SNVBAGLBSA-N 1 0 255.338 1.572 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2c1C(=O)NCC2 ZINC001234655800 943930905 /nfs/dbraw/zinc/93/09/05/943930905.db2.gz OCWVWELOHAULNG-NSHDSACASA-O 1 0 263.361 1.446 20 5 CDBDRO COCc1ncc(F)c(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001234880750 943966127 /nfs/dbraw/zinc/96/61/27/943966127.db2.gz JVYQZDBFQYVKJE-VIFPVBQESA-N 1 0 258.317 1.236 20 5 CDBDRO C[C@H](O)[C@H](C)[NH2+]CCNc1ccccc1[N+](=O)[O-] ZINC001262561817 946709822 /nfs/dbraw/zinc/70/98/22/946709822.db2.gz HPEIHQFLEHHSEV-UWVGGRQHSA-N 1 0 253.302 1.366 20 5 CDBDRO Cc1nn(C)cc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001262572446 946724104 /nfs/dbraw/zinc/72/41/04/946724104.db2.gz UWXWEDVKULPMNN-CQSZACIVSA-N 1 0 290.323 1.460 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCS(C)(=O)=O ZINC001254533137 947513184 /nfs/dbraw/zinc/51/31/84/947513184.db2.gz WFJWDLKWNBFWPI-SNVBAGLBSA-N 1 0 286.353 1.160 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](CO)C1 ZINC001254538481 947515709 /nfs/dbraw/zinc/51/57/09/947515709.db2.gz VZNBYSAILXCALQ-GMXVVIOVSA-N 1 0 264.325 1.886 20 5 CDBDRO COC(=O)CCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254567494 947526975 /nfs/dbraw/zinc/52/69/75/947526975.db2.gz ORWRZEZINNLHJZ-GFCCVEGCSA-N 1 0 278.308 1.605 20 5 CDBDRO [NH3+]Cc1nccn1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254567012 947528500 /nfs/dbraw/zinc/52/85/00/947528500.db2.gz MJBFRRKPRTYVLU-LBPRGKRZSA-N 1 0 258.281 1.590 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)C2 ZINC001254569857 947529818 /nfs/dbraw/zinc/52/98/18/947529818.db2.gz ZNVKIOZXQXWLJS-PSOPSSQASA-N 1 0 276.336 1.813 20 5 CDBDRO C[C@@H](CO)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254585920 947540066 /nfs/dbraw/zinc/54/00/66/947540066.db2.gz YTJCBUNRJQJICU-BXKDBHETSA-N 1 0 250.298 1.280 20 5 CDBDRO Cn1cc(C[N@H+](C)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001254601084 947550526 /nfs/dbraw/zinc/55/05/26/947550526.db2.gz YQXNPNIGNMLZBQ-OAHLLOKOSA-N 1 0 286.335 1.928 20 5 CDBDRO COC(=O)CC1C[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601210 947550976 /nfs/dbraw/zinc/55/09/76/947550976.db2.gz VYVKPYYQUBVVNN-AWEZNQCLSA-N 1 0 290.319 1.557 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCNC[C@@H]1F ZINC001246100218 947951433 /nfs/dbraw/zinc/95/14/33/947951433.db2.gz SIIOATUUEMRQLW-DDTOSNHZSA-N 1 0 281.331 1.815 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CC[C@H]1F ZINC001246495842 948209522 /nfs/dbraw/zinc/20/95/22/948209522.db2.gz GZCPRFPFHGTNED-RAIGVLPGSA-N 1 0 281.331 1.815 20 5 CDBDRO C[C@H](C[NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001248213663 948970932 /nfs/dbraw/zinc/97/09/32/948970932.db2.gz ZQEWRLJYQFKIQK-RXMQYKEDSA-N 1 0 267.220 1.241 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNc1c(C)cncc1[N+](=O)[O-] ZINC001324650117 953495682 /nfs/dbraw/zinc/49/56/82/953495682.db2.gz PVCHVPQEMMOSRB-LLVKDONJSA-N 1 0 266.345 1.862 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001325371107 953867773 /nfs/dbraw/zinc/86/77/73/953867773.db2.gz JPOUPSHTJWPVRU-VIFPVBQESA-N 1 0 278.312 1.010 20 5 CDBDRO CS[C@@H]1CN(c2c(C)cncc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC001326433607 954380537 /nfs/dbraw/zinc/38/05/37/954380537.db2.gz MALZUWRYRUCYLZ-VXGBXAGGSA-N 1 0 296.396 1.780 20 5 CDBDRO CC(C)(C)[NH2+]CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001327397429 954862953 /nfs/dbraw/zinc/86/29/53/954862953.db2.gz YHNHCZLVUKESOF-UHFFFAOYSA-N 1 0 295.339 1.478 20 5 CDBDRO O=C(CC[C@@H]1CC[NH2+]C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328189792 955219135 /nfs/dbraw/zinc/21/91/35/955219135.db2.gz LXWUEURGTXLSKW-LLVKDONJSA-N 1 0 289.335 1.827 20 5 CDBDRO CC[N@H+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC001307235403 956381832 /nfs/dbraw/zinc/38/18/32/956381832.db2.gz NAEKMCCRZDKDGW-NSHDSACASA-N 1 0 250.302 1.520 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CNC(=O)C1 ZINC001308437185 956530224 /nfs/dbraw/zinc/53/02/24/956530224.db2.gz LYBZFUWCKQLXIY-JTQLQIEISA-N 1 0 293.323 1.219 20 5 CDBDRO COc1c(O)ccc(C[NH2+][C@@H](C)C[C@H](C)O)c1[N+](=O)[O-] ZINC001308637575 956555245 /nfs/dbraw/zinc/55/52/45/956555245.db2.gz MOIHELFKGGZZQF-IUCAKERBSA-N 1 0 284.312 1.558 20 5 CDBDRO CCC[C@H](CCO)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001308901587 956596706 /nfs/dbraw/zinc/59/67/06/956596706.db2.gz ZMFPPFYTNUKCOK-LLVKDONJSA-N 1 0 298.339 1.950 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001331701087 957213761 /nfs/dbraw/zinc/21/37/61/957213761.db2.gz GHRODSAUQOICCH-WCQYABFASA-N 1 0 277.324 1.991 20 5 CDBDRO CC[C@@](C)(O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335401091 959777769 /nfs/dbraw/zinc/77/77/69/959777769.db2.gz XRJBMHKKLAMLIX-QWHCGFSZSA-N 1 0 268.313 1.379 20 5 CDBDRO CC(C)[N@H+](C)CCNc1ccc2nonc2c1[N+](=O)[O-] ZINC001335423569 959791161 /nfs/dbraw/zinc/79/11/61/959791161.db2.gz GPTIQUMKKKYWSN-UHFFFAOYSA-N 1 0 279.300 1.883 20 5 CDBDRO C[C@@H](NC(=O)C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC001341108360 963279378 /nfs/dbraw/zinc/27/93/78/963279378.db2.gz MDEFKUDZUCDNNQ-SNVBAGLBSA-N 1 0 277.324 1.772 20 5 CDBDRO CSCC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001341741414 963525506 /nfs/dbraw/zinc/52/55/06/963525506.db2.gz PXUPUPUJTWHDER-CABZTGNLSA-N 1 0 297.380 1.852 20 5 CDBDRO CC(C)c1ccc(C(=O)N[C@H]2C[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001343617369 964061680 /nfs/dbraw/zinc/06/16/80/964061680.db2.gz HTDPQMVBFOKDPR-XYPYZODXSA-N 1 0 277.324 1.938 20 5 CDBDRO C[C@@H](NC(=O)CC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001354829757 968924999 /nfs/dbraw/zinc/92/49/99/968924999.db2.gz MAKVDOBMGVEUEQ-SNVBAGLBSA-N 1 0 277.324 1.914 20 5 CDBDRO [NH3+][C@H]1C[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001356433168 969396491 /nfs/dbraw/zinc/39/64/91/969396491.db2.gz IYGXKZQUJSJVAB-ZKCHVHJHSA-N 1 0 269.688 1.468 20 5 CDBDRO COCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001356545613 969422689 /nfs/dbraw/zinc/42/26/89/969422689.db2.gz YKIGWHRUMFJBCO-UHFFFAOYSA-N 1 0 267.285 1.159 20 5 CDBDRO C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001356581502 969436129 /nfs/dbraw/zinc/43/61/29/969436129.db2.gz ARUOPYCGXPLHLE-SWLSCSKDSA-N 1 0 293.367 1.560 20 5 CDBDRO [NH3+]C1(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001358376028 969727868 /nfs/dbraw/zinc/72/78/68/969727868.db2.gz KMMJPFYSDJXPJA-UHFFFAOYSA-N 1 0 269.688 1.469 20 5 CDBDRO CN(CCC[NH3+])C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001521844469 970365562 /nfs/dbraw/zinc/36/55/62/970365562.db2.gz WVRNMTDXEFRMFF-QWHCGFSZSA-N 1 0 277.324 1.506 20 5 CDBDRO CC[NH2+][C@H](C)C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001523389387 970706021 /nfs/dbraw/zinc/70/60/21/970706021.db2.gz NPOKKJIDDWNZEZ-WDEREUQCSA-N 1 0 279.340 1.813 20 5 CDBDRO C[C@]1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C[NH2+]CCO1 ZINC001576516258 1171445428 /nfs/dbraw/zinc/44/54/28/1171445428.db2.gz LQAZVBCFWXFZFK-CYBMUJFWSA-N 1 0 294.311 1.095 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000320229346 341993175 /nfs/dbraw/zinc/99/31/75/341993175.db2.gz MAUPJWLLDDGYDG-VHSXEESVSA-N 1 0 265.313 1.379 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1COC[C@H]1O)CCC2 ZINC000601291572 342549621 /nfs/dbraw/zinc/54/96/21/342549621.db2.gz MFJBVJMFOCPDDV-MELADBBJSA-N 1 0 278.308 1.322 20 5 CDBDRO Cc1c(C(=O)N2CCc3[nH]cnc3C2)cccc1[N+](=O)[O-] ZINC000590378074 342540846 /nfs/dbraw/zinc/54/08/46/342540846.db2.gz DERYGSROETXKNG-UHFFFAOYSA-N 1 0 286.291 1.825 20 5 CDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000590403698 342544038 /nfs/dbraw/zinc/54/40/38/342544038.db2.gz MXUSRUCSCFGBHB-GWCFXTLKSA-N 1 0 277.324 1.759 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1COCC[C@H]1O ZINC000601307011 342551232 /nfs/dbraw/zinc/55/12/32/342551232.db2.gz VGEAUQIPMSWWKJ-OASPWFOLSA-N 1 0 296.323 1.404 20 5 CDBDRO Cc1c([C@H](C)[NH2+][C@@H]2COCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000601306567 342551327 /nfs/dbraw/zinc/55/13/27/342551327.db2.gz LTTYLDUPTWDCMA-ZKYQVNSYSA-N 1 0 280.324 1.704 20 5 CDBDRO O=C(C[NH2+]C1CC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000564834307 365527185 /nfs/dbraw/zinc/52/71/85/365527185.db2.gz RSMKNBYGYVTYPZ-UHFFFAOYSA-N 1 0 261.281 1.236 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000601329893 342554656 /nfs/dbraw/zinc/55/46/56/342554656.db2.gz OEBUBZSMIATTGM-MNOVXSKESA-N 1 0 265.313 1.395 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@H]12 ZINC000248654746 361743706 /nfs/dbraw/zinc/74/37/06/361743706.db2.gz VYNGCKSSQYESPV-YDEJPDAXSA-N 1 0 293.298 1.543 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000237476241 342060248 /nfs/dbraw/zinc/06/02/48/342060248.db2.gz HXZQGEVPUASJGX-MNOVXSKESA-N 1 0 293.323 1.312 20 5 CDBDRO CO[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000167217894 342073713 /nfs/dbraw/zinc/07/37/13/342073713.db2.gz MWUDQXJUJUXSOZ-QWRGUYRKSA-N 1 0 293.323 1.173 20 5 CDBDRO COc1cc(C(=O)N2CC[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000124929268 187162323 /nfs/dbraw/zinc/16/23/23/187162323.db2.gz SOWGPDMVOSQARA-SECBINFHSA-N 1 0 279.296 1.037 20 5 CDBDRO CO[C@H](C)CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000608837829 342076929 /nfs/dbraw/zinc/07/69/29/342076929.db2.gz MMHMOXYUQQBCGP-SNVBAGLBSA-N 1 0 296.323 1.881 20 5 CDBDRO Cc1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)nn1C ZINC000591257370 342623150 /nfs/dbraw/zinc/62/31/50/342623150.db2.gz OOZAWWUQQWRNLG-UHFFFAOYSA-N 1 0 290.323 1.805 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591437033 342631832 /nfs/dbraw/zinc/63/18/32/342631832.db2.gz DWWVBPXUGSRWKE-QWRGUYRKSA-N 1 0 279.344 1.308 20 5 CDBDRO Cc1c(NC(=O)[C@H]2[NH2+]CC2(C)C)cccc1[N+](=O)[O-] ZINC000591672265 342641391 /nfs/dbraw/zinc/64/13/91/342641391.db2.gz FOVZKLIIAKNYBP-LLVKDONJSA-N 1 0 263.297 1.840 20 5 CDBDRO O=C(CC[NH2+]C[C@H]1CCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000591728503 342644400 /nfs/dbraw/zinc/64/44/00/342644400.db2.gz NCSXVSXDBAALCN-LLVKDONJSA-N 1 0 293.323 1.550 20 5 CDBDRO CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000592241729 342680749 /nfs/dbraw/zinc/68/07/49/342680749.db2.gz FRJFXADFGURUPN-CYBMUJFWSA-N 1 0 295.314 1.804 20 5 CDBDRO COc1cccc(C(=O)N2CCC(C)([NH3+])CC2)c1[N+](=O)[O-] ZINC000592331570 342685551 /nfs/dbraw/zinc/68/55/51/342685551.db2.gz WTQZDJOQZJDKRS-UHFFFAOYSA-N 1 0 293.323 1.557 20 5 CDBDRO CC(C)[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000592484955 342695723 /nfs/dbraw/zinc/69/57/23/342695723.db2.gz KQQRURKNLRYUHG-CYBMUJFWSA-N 1 0 293.367 1.903 20 5 CDBDRO COc1cc(C(=O)N2CC[NH2+]CC2(C)C)ccc1[N+](=O)[O-] ZINC000156738616 342163073 /nfs/dbraw/zinc/16/30/73/342163073.db2.gz IOCSDWVQVKESOP-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)CCO ZINC000593109935 342769734 /nfs/dbraw/zinc/76/97/34/342769734.db2.gz OJVVZAUEIASADT-JTQLQIEISA-N 1 0 268.313 1.806 20 5 CDBDRO C[C@H]([NH3+])CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000592965746 342750826 /nfs/dbraw/zinc/75/08/26/342750826.db2.gz GQWAHSNKCPORKF-JTQLQIEISA-N 1 0 277.324 1.823 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000080393325 342210754 /nfs/dbraw/zinc/21/07/54/342210754.db2.gz KYABNURGKGZENY-UHFFFAOYSA-N 1 0 297.380 1.707 20 5 CDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000588775421 342221502 /nfs/dbraw/zinc/22/15/02/342221502.db2.gz DYPOPSSUHOQTGV-MWLCHTKSSA-N 1 0 293.327 1.017 20 5 CDBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000594390184 342894384 /nfs/dbraw/zinc/89/43/84/342894384.db2.gz UCTGCGWHSODVRZ-UHFFFAOYSA-N 1 0 295.343 1.264 20 5 CDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccccc1[N+](=O)[O-] ZINC000131117072 342226537 /nfs/dbraw/zinc/22/65/37/342226537.db2.gz JMVQDZQDLRUFCE-CYBMUJFWSA-N 1 0 265.313 1.698 20 5 CDBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000127413626 342236996 /nfs/dbraw/zinc/23/69/96/342236996.db2.gz WGPWIXSXTIDTGU-ZDUSSCGKSA-N 1 0 282.344 1.427 20 5 CDBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1csc([N+](=O)[O-])c1 ZINC000609382273 342263802 /nfs/dbraw/zinc/26/38/02/342263802.db2.gz AAGUPLPBBAQGAH-NSHDSACASA-N 1 0 295.364 1.870 20 5 CDBDRO C[NH2+]C1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCC1 ZINC000600822853 342251253 /nfs/dbraw/zinc/25/12/53/342251253.db2.gz BKIABRWOGBOCOV-UHFFFAOYSA-N 1 0 296.302 1.188 20 5 CDBDRO C[C@@H](CCO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594496279 342914233 /nfs/dbraw/zinc/91/42/33/342914233.db2.gz YYFKUJLJAFMCOO-CABZTGNLSA-N 1 0 250.298 1.943 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000295213038 529452853 /nfs/dbraw/zinc/45/28/53/529452853.db2.gz LVMCLBBCTSMCTE-ZETCQYMHSA-N 1 0 271.704 1.715 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595264472 343015602 /nfs/dbraw/zinc/01/56/02/343015602.db2.gz YSFBRENQHAMQTM-ZJUUUORDSA-N 1 0 280.328 1.563 20 5 CDBDRO Cc1noc(CN2CC[C@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000595334801 343028956 /nfs/dbraw/zinc/02/89/56/343028956.db2.gz VZXRKYZAULQRKL-GFCCVEGCSA-N 1 0 294.355 1.809 20 5 CDBDRO Cc1noc(CN2CC[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000595321048 343035224 /nfs/dbraw/zinc/03/52/24/343035224.db2.gz VWUAHDZUUZOHTI-JTQLQIEISA-N 1 0 268.317 1.275 20 5 CDBDRO CN1CC[NH+](CCCCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000075669945 342314331 /nfs/dbraw/zinc/31/43/31/342314331.db2.gz XKEPECHWFMFKCB-UHFFFAOYSA-N 1 0 293.371 1.429 20 5 CDBDRO Cc1noc(CN(C)C[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000595333897 343037606 /nfs/dbraw/zinc/03/76/06/343037606.db2.gz UVSLGJOTMLKRTL-LLVKDONJSA-N 1 0 282.344 1.665 20 5 CDBDRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595435495 343060283 /nfs/dbraw/zinc/06/02/83/343060283.db2.gz GNXXWGZMEYNZIC-VXGBXAGGSA-N 1 0 295.314 1.868 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000595541813 343093332 /nfs/dbraw/zinc/09/33/32/343093332.db2.gz CSQPUYLLQNCYBE-YPMHNXCESA-N 1 0 298.314 1.611 20 5 CDBDRO CC[C@H](C)[N@H+](CC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595593188 343095841 /nfs/dbraw/zinc/09/58/41/343095841.db2.gz OOAZGUKTMQJAKO-CMPLNLGQSA-N 1 0 270.333 1.273 20 5 CDBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000077995720 342333032 /nfs/dbraw/zinc/33/30/32/342333032.db2.gz BWZGDGNQZRRAMU-LBPRGKRZSA-N 1 0 279.340 1.975 20 5 CDBDRO Cc1nn(C)c(NCC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000166827947 362081836 /nfs/dbraw/zinc/08/18/36/362081836.db2.gz VUTLKECIQDGCED-SECBINFHSA-N 1 0 253.306 1.191 20 5 CDBDRO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000595875580 343178162 /nfs/dbraw/zinc/17/81/62/343178162.db2.gz QYWYJWGUMGKSMG-DOMZBBRYSA-N 1 0 294.351 1.924 20 5 CDBDRO COc1cccc(C(=O)N(C)CC(C)(C)[NH3+])c1[N+](=O)[O-] ZINC000595934497 343185808 /nfs/dbraw/zinc/18/58/08/343185808.db2.gz MNARDAMMGWBZBO-UHFFFAOYSA-N 1 0 281.312 1.413 20 5 CDBDRO CC(C)(NC(=O)[C@H]1C[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000595964935 343198099 /nfs/dbraw/zinc/19/80/99/343198099.db2.gz ODFDKTUVKWXWLN-HOMQSWHASA-N 1 0 277.324 1.683 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000595984653 343211407 /nfs/dbraw/zinc/21/14/07/343211407.db2.gz XTJPMRJGGKWGAB-ZETCQYMHSA-N 1 0 255.249 1.072 20 5 CDBDRO O=c1[nH]ccc(NCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000596060313 343222877 /nfs/dbraw/zinc/22/28/77/343222877.db2.gz YENKVWOJTCLZOR-UHFFFAOYSA-N 1 0 252.274 1.203 20 5 CDBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000596014428 343218674 /nfs/dbraw/zinc/21/86/74/343218674.db2.gz PTMZMGFNRXNLEZ-WCBMZHEXSA-N 1 0 282.731 1.831 20 5 CDBDRO C[NH+](C)[C@]1(CNc2cc[nH]c(=O)c2[N+](=O)[O-])CCSC1 ZINC000596148866 343244366 /nfs/dbraw/zinc/24/43/66/343244366.db2.gz HOXVGACRRJBVHW-LBPRGKRZSA-N 1 0 298.368 1.545 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000596308322 343293464 /nfs/dbraw/zinc/29/34/64/343293464.db2.gz QVKUZZRMJXGYOB-JTQLQIEISA-N 1 0 279.344 1.339 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596518903 343340656 /nfs/dbraw/zinc/34/06/56/343340656.db2.gz ZJKCJKWOJKAEIU-SECBINFHSA-N 1 0 266.301 1.592 20 5 CDBDRO C[NH+](C)CC1CN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000597708329 343606141 /nfs/dbraw/zinc/60/61/41/343606141.db2.gz JZFWPVNJNZOXIZ-UHFFFAOYSA-N 1 0 269.326 1.290 20 5 CDBDRO CC(C)[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598572040 343833014 /nfs/dbraw/zinc/83/30/14/343833014.db2.gz DPGIXOIJHXNYFV-ZDUSSCGKSA-N 1 0 277.324 1.665 20 5 CDBDRO CC(C)[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000598573465 343833557 /nfs/dbraw/zinc/83/35/57/343833557.db2.gz JSXCRTMVTSGREO-LBPRGKRZSA-N 1 0 277.324 1.665 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+]CC1 ZINC000598916762 343920511 /nfs/dbraw/zinc/92/05/11/343920511.db2.gz KXCPNBWJNVVGBU-UHFFFAOYSA-N 1 0 284.703 1.685 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+]CCN2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000599094280 343953172 /nfs/dbraw/zinc/95/31/72/343953172.db2.gz SMBDFHLBKXFMDH-JSGCOSHPSA-N 1 0 293.367 1.620 20 5 CDBDRO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000599654245 344104031 /nfs/dbraw/zinc/10/40/31/344104031.db2.gz FFKQAKHQQRFPCF-WVSHTKLVSA-N 1 0 268.288 1.937 20 5 CDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601672229 344217315 /nfs/dbraw/zinc/21/73/15/344217315.db2.gz VMZVLGGTPOWWQY-SNVBAGLBSA-N 1 0 295.314 1.948 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601578599 344197275 /nfs/dbraw/zinc/19/72/75/344197275.db2.gz XNYXWFVMZASTTP-QMMMGPOBSA-N 1 0 269.276 1.414 20 5 CDBDRO C[NH2+]CCN(C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417842037 529973163 /nfs/dbraw/zinc/97/31/63/529973163.db2.gz GJJWJRZGWMGYQN-LLVKDONJSA-N 1 0 294.355 1.825 20 5 CDBDRO C[C@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000602145516 344350419 /nfs/dbraw/zinc/35/04/19/344350419.db2.gz RSZXYBBFYAPRNJ-SECBINFHSA-N 1 0 299.758 1.857 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CCOCC[NH3+] ZINC000602549391 344463837 /nfs/dbraw/zinc/46/38/37/344463837.db2.gz COGKQVIUBLFMFS-UHFFFAOYSA-N 1 0 295.339 1.259 20 5 CDBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000602532465 344470165 /nfs/dbraw/zinc/47/01/65/344470165.db2.gz XTIVYZZFPGSSLY-CYBMUJFWSA-N 1 0 295.314 1.804 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000602594344 344477508 /nfs/dbraw/zinc/47/75/08/344477508.db2.gz ADYBFUKCXJSNGQ-ONGXEEELSA-N 1 0 263.297 1.465 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@]2(CCO)CCOC2)cc1 ZINC000602638047 344511133 /nfs/dbraw/zinc/51/11/33/344511133.db2.gz QXCTWYUYAPWFAP-AWEZNQCLSA-N 1 0 280.324 1.268 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000602826245 344612156 /nfs/dbraw/zinc/61/21/56/344612156.db2.gz JUBCOHJEOONTIA-QWHCGFSZSA-N 1 0 294.355 1.743 20 5 CDBDRO CCc1nocc1CN(C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602831035 344613830 /nfs/dbraw/zinc/61/38/30/344613830.db2.gz FITMALBDFWQLEE-UHFFFAOYSA-N 1 0 293.327 1.782 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1[C@H](C)CC[C@@H]1C ZINC000602786232 344599343 /nfs/dbraw/zinc/59/93/43/344599343.db2.gz DRWPUSOIRZGGSW-AOOOYVTPSA-N 1 0 252.318 1.973 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCO)C1CC1 ZINC000159678356 362488151 /nfs/dbraw/zinc/48/81/51/362488151.db2.gz IROPIUMYBNZWQN-GFCCVEGCSA-N 1 0 250.298 1.498 20 5 CDBDRO CC[C@@](C)([NH3+])c1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000603224606 344738282 /nfs/dbraw/zinc/73/82/82/344738282.db2.gz SFANLWPOMXGWKO-CYBMUJFWSA-N 1 0 293.302 1.958 20 5 CDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C1CC[NH+](C)CC1 ZINC000604552746 344903071 /nfs/dbraw/zinc/90/30/71/344903071.db2.gz TXWBOBXOZKQPFG-VIFPVBQESA-N 1 0 281.312 1.648 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)cc1 ZINC000292812620 362509843 /nfs/dbraw/zinc/50/98/43/362509843.db2.gz WLOLDKFYQLSWCY-OLZOCXBDSA-N 1 0 266.297 1.224 20 5 CDBDRO COc1ccc(CN2CC[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000129096029 345261917 /nfs/dbraw/zinc/26/19/17/345261917.db2.gz MQXPEVGDGIJVPV-CMPLNLGQSA-N 1 0 279.340 1.915 20 5 CDBDRO CN1CCN(C)[C@@H](CNc2ccc([N+](=O)[O-])s2)C1 ZINC000609517010 345592506 /nfs/dbraw/zinc/59/25/06/345592506.db2.gz CMPNSNFDGHKSNF-VIFPVBQESA-N 1 0 270.358 1.314 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000249284074 362628671 /nfs/dbraw/zinc/62/86/71/362628671.db2.gz HUISSQNJXJAUKL-WCFLWFBJSA-N 1 0 280.324 1.392 20 5 CDBDRO O=[N+]([O-])c1ncccc1N1CC[NH+](C2CCC2)CC1 ZINC000609595610 345821813 /nfs/dbraw/zinc/82/18/13/345821813.db2.gz VIPDCCVOVYINIY-UHFFFAOYSA-N 1 0 262.313 1.664 20 5 CDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(C)(C)CO ZINC000295126739 199358890 /nfs/dbraw/zinc/35/88/90/199358890.db2.gz AMAPJLZUACEFDJ-UHFFFAOYSA-N 1 0 282.340 1.924 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](C)C1 ZINC000610655811 346336794 /nfs/dbraw/zinc/33/67/94/346336794.db2.gz AUBLTHLHQPVMBG-JTQLQIEISA-N 1 0 252.318 1.832 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000086468423 362710968 /nfs/dbraw/zinc/71/09/68/362710968.db2.gz QSOZXJRBMRYWFC-VHSXEESVSA-N 1 0 278.312 1.809 20 5 CDBDRO CC[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611088371 346604896 /nfs/dbraw/zinc/60/48/96/346604896.db2.gz RXVPKKWVJHBFDC-GFCCVEGCSA-N 1 0 291.351 1.690 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000128528188 187376306 /nfs/dbraw/zinc/37/63/06/187376306.db2.gz JDRURKCXRPCJCI-CHWSQXEVSA-N 1 0 277.324 1.523 20 5 CDBDRO CC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122615602 347669474 /nfs/dbraw/zinc/66/94/74/347669474.db2.gz KKQPKDHBIRYOJG-GWCFXTLKSA-N 1 0 277.324 1.794 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000086467342 179297042 /nfs/dbraw/zinc/29/70/42/179297042.db2.gz RRCWQZQUYJLTDO-NXEZZACHSA-N 1 0 263.297 1.417 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000086467993 179298820 /nfs/dbraw/zinc/29/88/20/179298820.db2.gz MNPMVEVKIVWJGL-QWRGUYRKSA-N 1 0 277.324 1.726 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)C[NH2+]1 ZINC000086468098 179299254 /nfs/dbraw/zinc/29/92/54/179299254.db2.gz QMXSMDNSLAPHFE-SFYZADRCSA-N 1 0 269.326 1.479 20 5 CDBDRO C[C@H]1CN(c2cccnc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000614832280 348243932 /nfs/dbraw/zinc/24/39/32/348243932.db2.gz IZVLCQVMTVCWIZ-NSHDSACASA-N 1 0 294.355 1.271 20 5 CDBDRO C[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000273421741 192145156 /nfs/dbraw/zinc/14/51/56/192145156.db2.gz YZZYWZGGBYALFB-FRRDWIJNSA-N 1 0 294.351 1.922 20 5 CDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC([NH+]2CCCC2)CC1 ZINC000056327963 348816688 /nfs/dbraw/zinc/81/66/88/348816688.db2.gz TTXBFNUNMMJQLC-UHFFFAOYSA-N 1 0 292.339 1.623 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCO)CC1CC1 ZINC000064516469 348942505 /nfs/dbraw/zinc/94/25/05/348942505.db2.gz YCDHNFZASFUYEH-UHFFFAOYSA-N 1 0 250.298 1.799 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+]C1(CO)CCOCC1 ZINC000069246856 349095812 /nfs/dbraw/zinc/09/58/12/349095812.db2.gz HLRMYJFDHZQHND-UHFFFAOYSA-N 1 0 284.287 1.365 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@H+](C)CC ZINC000091557166 180190914 /nfs/dbraw/zinc/19/09/14/180190914.db2.gz ISEVSYDCDCOXGR-UHFFFAOYSA-N 1 0 255.322 1.483 20 5 CDBDRO COCC[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000105832075 186076173 /nfs/dbraw/zinc/07/61/73/186076173.db2.gz ZBDWGIJFXHRZHM-CYBMUJFWSA-N 1 0 293.367 1.747 20 5 CDBDRO COCC[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000105832366 186077128 /nfs/dbraw/zinc/07/71/28/186077128.db2.gz PFYRVPMGXOCGAY-CYBMUJFWSA-N 1 0 293.367 1.747 20 5 CDBDRO COC[C@@H](CCO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515669953 362957687 /nfs/dbraw/zinc/95/76/87/362957687.db2.gz FSSJOAGDGMBUHS-MFKMUULPSA-N 1 0 280.324 1.569 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364178457 362961267 /nfs/dbraw/zinc/96/12/67/362961267.db2.gz SBPNKSTZTFWHRJ-JSGCOSHPSA-N 1 0 275.308 1.211 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000310763859 350608942 /nfs/dbraw/zinc/60/89/42/350608942.db2.gz QHGMEETWBZQCFW-RKDXNWHRSA-N 1 0 251.261 1.390 20 5 CDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000110796016 186325407 /nfs/dbraw/zinc/32/54/07/186325407.db2.gz AZXQNJUWBXCDDW-VIFPVBQESA-N 1 0 297.742 1.978 20 5 CDBDRO CN(c1ncnc2sc([N+](=O)[O-])cc21)[C@@H](C[NH3+])C1CC1 ZINC000312710481 350789893 /nfs/dbraw/zinc/78/98/93/350789893.db2.gz FTMINIBMFCHIHP-VIFPVBQESA-N 1 0 293.352 1.773 20 5 CDBDRO CO[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000167148884 362998457 /nfs/dbraw/zinc/99/84/57/362998457.db2.gz RFUTWQHUEVRXCS-KBPBESRZSA-N 1 0 279.340 1.533 20 5 CDBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000036793840 363050499 /nfs/dbraw/zinc/05/04/99/363050499.db2.gz KWJOQLCDIFTDMA-VIFPVBQESA-N 1 0 251.286 1.161 20 5 CDBDRO COc1ccc(NC(=O)[C@H](C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000136477825 363111321 /nfs/dbraw/zinc/11/13/21/363111321.db2.gz VWWXKYMCFZBJRB-SNVBAGLBSA-N 1 0 281.312 1.773 20 5 CDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135238024 187810226 /nfs/dbraw/zinc/81/02/26/187810226.db2.gz PGYWPBDAIQVBAH-SNVBAGLBSA-N 1 0 269.276 1.447 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(NC[C@H](C)[NH+](C)C)c1 ZINC000155805459 188228664 /nfs/dbraw/zinc/22/86/64/188228664.db2.gz IOGABYOFNOUYMR-VIFPVBQESA-N 1 0 253.302 1.965 20 5 CDBDRO CC(C)[C@H]([NH3+])C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000457373968 366165178 /nfs/dbraw/zinc/16/51/78/366165178.db2.gz LHGXNIOVBWDXJA-LBPRGKRZSA-N 1 0 279.340 1.929 20 5 CDBDRO Cc1nc(NCC2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000271744152 191301775 /nfs/dbraw/zinc/30/17/75/191301775.db2.gz AKTIUXJSIASZTD-UHFFFAOYSA-N 1 0 262.313 1.972 20 5 CDBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H]1[NH+](C)C ZINC000271839962 191361408 /nfs/dbraw/zinc/36/14/08/191361408.db2.gz UEHFZXPPRWDUGH-UWVGGRQHSA-N 1 0 298.368 1.041 20 5 CDBDRO CC(C)(C(=O)NC[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000273011334 192019084 /nfs/dbraw/zinc/01/90/84/192019084.db2.gz JKEWWXANQUXTAS-LLVKDONJSA-N 1 0 291.351 1.598 20 5 CDBDRO CC(C)c1n[nH]c(C(=O)NCC(C)(C)[NH+](C)C)c1[N+](=O)[O-] ZINC000269369609 535320643 /nfs/dbraw/zinc/32/06/43/535320643.db2.gz YJPABMJQDBVOTC-UHFFFAOYSA-N 1 0 297.359 1.511 20 5 CDBDRO C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000036933005 295930238 /nfs/dbraw/zinc/93/02/38/295930238.db2.gz IJEFIICDPMQJNU-STQMWFEESA-N 1 0 293.367 1.966 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2cccc([N+](=O)[O-])c2N)CCC1 ZINC000097935924 356956480 /nfs/dbraw/zinc/95/64/80/356956480.db2.gz XKMBEWARGHMTFO-UHFFFAOYSA-N 1 0 292.339 1.391 20 5 CDBDRO C[C@@H]1[NH2+]CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000379495635 357164761 /nfs/dbraw/zinc/16/47/61/357164761.db2.gz PVSFWIBCHKAOKZ-QWRGUYRKSA-N 1 0 292.339 1.216 20 5 CDBDRO NC(=O)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000048026592 357171329 /nfs/dbraw/zinc/17/13/29/357171329.db2.gz VDIBUQATMZQGMS-UHFFFAOYSA-N 1 0 277.324 1.682 20 5 CDBDRO Cc1cc(OC[C@@H](O)C[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000290529954 357210095 /nfs/dbraw/zinc/21/00/95/357210095.db2.gz DEFBZWVGSYSJKI-LBPRGKRZSA-N 1 0 280.324 1.737 20 5 CDBDRO C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181933819 357391673 /nfs/dbraw/zinc/39/16/73/357391673.db2.gz VWTMICHBUMYWPX-NEPJUHHUSA-N 1 0 280.324 1.819 20 5 CDBDRO COCCN1CC[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000264654876 357746800 /nfs/dbraw/zinc/74/68/00/357746800.db2.gz XTBJYNPAMWUHTJ-AWEZNQCLSA-N 1 0 293.367 1.714 20 5 CDBDRO CCc1nn(C)c(NCC[NH2+]C(C)(C)C)c1[N+](=O)[O-] ZINC000360953151 357756940 /nfs/dbraw/zinc/75/69/40/357756940.db2.gz IIBJHWQWOVQJBY-UHFFFAOYSA-N 1 0 269.349 1.691 20 5 CDBDRO C[NH2+][C@@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000566473948 357817832 /nfs/dbraw/zinc/81/78/32/357817832.db2.gz MUYGWUQKTRHRQF-VIFPVBQESA-N 1 0 263.297 1.087 20 5 CDBDRO CCc1ccc(C(=O)N2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000188384002 357889246 /nfs/dbraw/zinc/88/92/46/357889246.db2.gz SSPNEQLZQQMWHD-SNVBAGLBSA-N 1 0 277.324 1.591 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](O)C1 ZINC000074325219 357909574 /nfs/dbraw/zinc/90/95/74/357909574.db2.gz MJCHZGUWHNMGEX-GFCCVEGCSA-N 1 0 293.323 1.298 20 5 CDBDRO O=C(NCCN1CCCOCC1)c1ccccc1[N+](=O)[O-] ZINC000189418468 358008800 /nfs/dbraw/zinc/00/88/00/358008800.db2.gz XEVQBGSPAKPJMU-UHFFFAOYSA-N 1 0 293.323 1.047 20 5 CDBDRO C[C@@H](O)C[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000189353144 357999703 /nfs/dbraw/zinc/99/97/03/357999703.db2.gz LSIIALCFHRDRMW-GFCCVEGCSA-N 1 0 279.340 1.093 20 5 CDBDRO C[N@H+]1C[C@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000192569076 358217424 /nfs/dbraw/zinc/21/74/24/358217424.db2.gz RFIYZXHMUGJQOZ-PHIMTYICSA-N 1 0 290.323 1.620 20 5 CDBDRO C[C@H]([NH2+]C1CC1)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000294854905 199215788 /nfs/dbraw/zinc/21/57/88/199215788.db2.gz VGKCMQIXVKCXQT-JTQLQIEISA-N 1 0 292.339 1.263 20 5 CDBDRO Cc1nc(N[C@H]2CCC[N@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000294852590 199214682 /nfs/dbraw/zinc/21/46/82/199214682.db2.gz BHLXLBZMMVOWTE-LBPRGKRZSA-N 1 0 294.355 1.557 20 5 CDBDRO C[NH+](C)C[C@@](C)(O)CNc1ncc([N+](=O)[O-])cc1Cl ZINC000132970933 358590348 /nfs/dbraw/zinc/59/03/48/358590348.db2.gz YKCBAXIZHDUARU-NSHDSACASA-N 1 0 288.735 1.368 20 5 CDBDRO C[C@@H]1SCC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1C ZINC000176248901 358750481 /nfs/dbraw/zinc/75/04/81/358750481.db2.gz HRJCDHVWERQQGB-UWVGGRQHSA-N 1 0 270.358 1.617 20 5 CDBDRO C[C@H]1SCC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1C ZINC000176248933 358750504 /nfs/dbraw/zinc/75/05/04/358750504.db2.gz HRJCDHVWERQQGB-VHSXEESVSA-N 1 0 270.358 1.617 20 5 CDBDRO CSC[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000135449574 358754811 /nfs/dbraw/zinc/75/48/11/358754811.db2.gz UWXMWEABQZUGNM-JTQLQIEISA-N 1 0 270.358 1.619 20 5 CDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176189541 358731686 /nfs/dbraw/zinc/73/16/86/358731686.db2.gz VOHAJFNZIZZFFS-GHMZBOCLSA-N 1 0 252.318 1.769 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186871885 358834472 /nfs/dbraw/zinc/83/44/72/358834472.db2.gz VBWIPBJXCCVXTQ-TVQRCGJNSA-N 1 0 277.324 1.631 20 5 CDBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000291060309 358841542 /nfs/dbraw/zinc/84/15/42/358841542.db2.gz XXJDZJQLIQKCNM-VIFPVBQESA-N 1 0 283.332 1.168 20 5 CDBDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)O)cc1[N+](=O)[O-] ZINC000342206174 358966646 /nfs/dbraw/zinc/96/66/46/358966646.db2.gz PXTHZEUKZUEDLP-BDAKNGLRSA-N 1 0 254.286 1.462 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000104186243 358950430 /nfs/dbraw/zinc/95/04/30/358950430.db2.gz CKQLFRGIKFGFTH-NSHDSACASA-N 1 0 277.324 1.585 20 5 CDBDRO CC[C@@H](CO)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000120017552 359064753 /nfs/dbraw/zinc/06/47/53/359064753.db2.gz SNQFEMRZOXOQHM-QWRGUYRKSA-N 1 0 295.339 1.672 20 5 CDBDRO [NH3+]C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000342590235 359125558 /nfs/dbraw/zinc/12/55/58/359125558.db2.gz OLOZCTQFPSYQLG-UHFFFAOYSA-N 1 0 297.742 1.788 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000267258833 359195463 /nfs/dbraw/zinc/19/54/63/359195463.db2.gz FUCGRBAIINKWQS-NXEZZACHSA-N 1 0 280.328 1.526 20 5 CDBDRO COc1cc(C[NH2+]CC(C)(C)O)c([N+](=O)[O-])cc1OC ZINC000111385825 359221249 /nfs/dbraw/zinc/22/12/49/359221249.db2.gz WKDAHQGVAZVGQH-UHFFFAOYSA-N 1 0 284.312 1.473 20 5 CDBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000339627371 359419615 /nfs/dbraw/zinc/41/96/15/359419615.db2.gz AKVHGQOOAGTOHT-NSHDSACASA-N 1 0 268.313 1.676 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000054132267 359425160 /nfs/dbraw/zinc/42/51/60/359425160.db2.gz WZUCFBVMCYMWHY-UHFFFAOYSA-N 1 0 280.328 1.318 20 5 CDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000153999984 237025687 /nfs/dbraw/zinc/02/56/87/237025687.db2.gz UPRMBZBSJVNYBU-ZDUSSCGKSA-N 1 0 296.327 1.029 20 5 CDBDRO COc1ccc(C[N@H+](CCO)C(C)C)cc1[N+](=O)[O-] ZINC000050103626 359571380 /nfs/dbraw/zinc/57/13/80/359571380.db2.gz WBCUTTNUSAWVFL-UHFFFAOYSA-N 1 0 268.313 1.806 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000044556146 283459731 /nfs/dbraw/zinc/45/97/31/283459731.db2.gz OBJFNAARUPLFDE-NSHDSACASA-N 1 0 299.352 1.097 20 5 CDBDRO Cc1nc(N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000297332685 200151995 /nfs/dbraw/zinc/15/19/95/200151995.db2.gz AHUZFPIITIZRAM-GZMMTYOYSA-N 1 0 277.328 1.588 20 5 CDBDRO O=[N+]([O-])c1ccccc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000363086745 360129958 /nfs/dbraw/zinc/12/99/58/360129958.db2.gz HEHHWUNPHKCUNN-CABCVRRESA-N 1 0 291.351 1.630 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@]1(O)CCSC1 ZINC000176753702 189007708 /nfs/dbraw/zinc/00/77/08/189007708.db2.gz KXKXWKPFHAJTPL-GFCCVEGCSA-N 1 0 268.338 1.552 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000124578770 363727835 /nfs/dbraw/zinc/72/78/35/363727835.db2.gz CTSVFDWGXRORPL-UHFFFAOYSA-N 1 0 265.313 1.585 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)CC[NH2+]1 ZINC000235685548 360591196 /nfs/dbraw/zinc/59/11/96/360591196.db2.gz DDDLCTCWXQGOBR-YUMQZZPRSA-N 1 0 269.326 1.527 20 5 CDBDRO CC[NH+]1CCN(CCNc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000178168057 189094835 /nfs/dbraw/zinc/09/48/35/189094835.db2.gz NLIBLYLPZSTTRQ-UHFFFAOYSA-N 1 0 293.371 1.348 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000178273049 189101889 /nfs/dbraw/zinc/10/18/89/189101889.db2.gz ULFCJDYJLFNKKP-VIFPVBQESA-N 1 0 291.332 1.983 20 5 CDBDRO C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000136048856 360675598 /nfs/dbraw/zinc/67/55/98/360675598.db2.gz IJDDNTZBVCXJJE-MNOVXSKESA-N 1 0 277.324 1.346 20 5 CDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000178737392 189141735 /nfs/dbraw/zinc/14/17/35/189141735.db2.gz XATNJQPCBWFERP-SNVBAGLBSA-N 1 0 292.339 1.143 20 5 CDBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000180445148 189256058 /nfs/dbraw/zinc/25/60/58/189256058.db2.gz WZNCCCWILJEIKS-BXUZGUMPSA-N 1 0 290.323 1.503 20 5 CDBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000053202134 361204444 /nfs/dbraw/zinc/20/44/44/361204444.db2.gz AZIJJTMPEVISOC-NSHDSACASA-N 1 0 293.323 1.427 20 5 CDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ncc([N+](=O)[O-])cc1F ZINC000408468929 361205796 /nfs/dbraw/zinc/20/57/96/361205796.db2.gz ONKRPGPBGKGWJO-SKDRFNHKSA-N 1 0 282.319 1.905 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCCC[NH+]1CCCC1 ZINC000180890972 189282275 /nfs/dbraw/zinc/28/22/75/189282275.db2.gz RVVVYVJZJQLNPG-UHFFFAOYSA-N 1 0 292.339 1.393 20 5 CDBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000301612393 201093967 /nfs/dbraw/zinc/09/39/67/201093967.db2.gz SGHSFXGDCFXTJV-SNVBAGLBSA-N 1 0 294.359 1.357 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCCCO)C2)nc1 ZINC000304335062 239358769 /nfs/dbraw/zinc/35/87/69/239358769.db2.gz WKEVTAJCAFPFMV-NSHDSACASA-N 1 0 280.328 1.249 20 5 CDBDRO CCc1ccc(C(=O)NC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000237139603 364053474 /nfs/dbraw/zinc/05/34/74/364053474.db2.gz WPLHKZSAFRLGOS-GFCCVEGCSA-N 1 0 277.324 1.624 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000237191264 364263941 /nfs/dbraw/zinc/26/39/41/364263941.db2.gz ZQDCVYVMILSOMJ-SNVBAGLBSA-N 1 0 293.323 1.475 20 5 CDBDRO C[C@](C[NH3+])(NC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000148876622 364440254 /nfs/dbraw/zinc/44/02/54/364440254.db2.gz APFNYPBIVZSRRP-CYBMUJFWSA-N 1 0 263.297 1.452 20 5 CDBDRO C[C@@H](C[NH+]1CCCCCC1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000302485832 364506926 /nfs/dbraw/zinc/50/69/26/364506926.db2.gz YWOXWJIXVLJHHD-JTQLQIEISA-N 1 0 294.359 1.643 20 5 CDBDRO CC[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000181731228 365037758 /nfs/dbraw/zinc/03/77/58/365037758.db2.gz KSNITOHQSQVYJT-KGLIPLIRSA-N 1 0 280.324 1.787 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NCC[C@H]1CCC[N@H+](C)C1 ZINC000413450507 240693032 /nfs/dbraw/zinc/69/30/32/240693032.db2.gz YHNDXBBJRIYOOD-SNVBAGLBSA-N 1 0 267.333 1.472 20 5 CDBDRO Cc1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)nn1C ZINC000414367050 241172827 /nfs/dbraw/zinc/17/28/27/241172827.db2.gz PHTWWKKLBNBBGX-UHFFFAOYSA-N 1 0 274.324 1.969 20 5 CDBDRO Cc1ccc(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000414496548 241233931 /nfs/dbraw/zinc/23/39/31/241233931.db2.gz IONVNINDOVJFCT-CYBMUJFWSA-N 1 0 291.351 1.813 20 5 CDBDRO COc1c(-c2nc(C3([NH3+])CCC3)no2)cccc1[N+](=O)[O-] ZINC000414623736 241282709 /nfs/dbraw/zinc/28/27/09/241282709.db2.gz FBDBFYMIESZRMQ-UHFFFAOYSA-N 1 0 290.279 1.991 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000414653266 241301371 /nfs/dbraw/zinc/30/13/71/241301371.db2.gz HUZKGLQIJRUIOA-MRVPVSSYSA-N 1 0 280.284 1.087 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000414657027 241306312 /nfs/dbraw/zinc/30/63/12/241306312.db2.gz JFZBLRYFKLACHK-IAZYJMLFSA-N 1 0 276.296 1.243 20 5 CDBDRO Cc1nc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ncc1[N+](=O)[O-] ZINC000297361152 367132336 /nfs/dbraw/zinc/13/23/36/367132336.db2.gz CBPFJQADDWBGFM-VXGBXAGGSA-N 1 0 291.355 1.614 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000415497551 241704426 /nfs/dbraw/zinc/70/44/26/241704426.db2.gz IBFBKEOGIVDHIC-SECBINFHSA-N 1 0 266.301 1.762 20 5 CDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cncc(F)c1 ZINC000090537892 367570384 /nfs/dbraw/zinc/57/03/84/367570384.db2.gz QTYXJOHXDADFRQ-VIFPVBQESA-N 1 0 279.275 1.676 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417128315 242330147 /nfs/dbraw/zinc/33/01/47/242330147.db2.gz IBFCPKSETFNOCB-UWVGGRQHSA-N 1 0 280.328 1.550 20 5 CDBDRO C[C@H](NC(=O)NC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000417145193 242335810 /nfs/dbraw/zinc/33/58/10/242335810.db2.gz WNBKMYHUYBPRRH-JTQLQIEISA-N 1 0 292.339 1.707 20 5 CDBDRO CC[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000153397321 367813754 /nfs/dbraw/zinc/81/37/54/367813754.db2.gz HEZNGIYVGGCTAX-NSHDSACASA-N 1 0 265.313 1.551 20 5 CDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)[NH3+] ZINC000418426901 243064543 /nfs/dbraw/zinc/06/45/43/243064543.db2.gz KOHKAEDSQFWNFM-UHFFFAOYSA-N 1 0 294.355 1.516 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418479039 243128677 /nfs/dbraw/zinc/12/86/77/243128677.db2.gz XXHAJDKXUJWXPO-SNVBAGLBSA-N 1 0 292.339 1.257 20 5 CDBDRO O=C(N[C@@H]1CC[NH2+]C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178455549 284070720 /nfs/dbraw/zinc/07/07/20/284070720.db2.gz FDZAMOYKLFBHBV-SECBINFHSA-N 1 0 291.332 1.901 20 5 CDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000330603222 203025153 /nfs/dbraw/zinc/02/51/53/203025153.db2.gz HVHPOLJJVQVSGL-RYUDHWBXSA-N 1 0 291.351 1.688 20 5 CDBDRO CC(=O)c1cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000420269736 244002501 /nfs/dbraw/zinc/00/25/01/244002501.db2.gz YFESOPAQYUWLLP-VXGBXAGGSA-N 1 0 289.335 1.843 20 5 CDBDRO C[NH2+]CCN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000420339247 244108287 /nfs/dbraw/zinc/10/82/87/244108287.db2.gz PROUEYAYLFNVKJ-NSHDSACASA-N 1 0 294.355 1.381 20 5 CDBDRO COc1cc(CN[C@@H](C)CC[NH3+])c([N+](=O)[O-])cc1OC ZINC000414876325 370966049 /nfs/dbraw/zinc/96/60/49/370966049.db2.gz DDNMZCBBKOTWDZ-VIFPVBQESA-N 1 0 283.328 1.439 20 5 CDBDRO CCN(CCC[NH+](C)C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000276231974 193251277 /nfs/dbraw/zinc/25/12/77/193251277.db2.gz OHGLMPRIRPLNNC-UHFFFAOYSA-N 1 0 293.367 1.938 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+]CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000037740637 370035755 /nfs/dbraw/zinc/03/57/55/370035755.db2.gz PGEHPOIGQOUENN-SNVBAGLBSA-N 1 0 286.353 1.598 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000422765156 245228338 /nfs/dbraw/zinc/22/83/38/245228338.db2.gz KOLQXEKGKNKMJA-GFCCVEGCSA-N 1 0 291.351 1.941 20 5 CDBDRO CNC(=O)CN(C)c1cc(C)[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000272895040 372334987 /nfs/dbraw/zinc/33/49/87/372334987.db2.gz YPOIQFZEKOEWOY-UHFFFAOYSA-N 1 0 288.307 1.634 20 5 CDBDRO C[NH+](C)CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000299344459 372548743 /nfs/dbraw/zinc/54/87/43/372548743.db2.gz SDQMFCDKHBQVHE-UHFFFAOYSA-N 1 0 290.323 1.227 20 5 CDBDRO CC(C)[C@H](C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266392839 372779410 /nfs/dbraw/zinc/77/94/10/372779410.db2.gz CKSDJBDFRGVTHM-JQWIXIFHSA-N 1 0 270.333 1.129 20 5 CDBDRO Cc1cc(N(C)C2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000356732462 373041125 /nfs/dbraw/zinc/04/11/25/373041125.db2.gz JXXAUYVIQFYAFB-UHFFFAOYSA-N 1 0 293.367 1.796 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)C[NH3+] ZINC000441613006 373610323 /nfs/dbraw/zinc/61/03/23/373610323.db2.gz MUQJPGNESXNYLK-QMMMGPOBSA-N 1 0 251.286 1.228 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NCCN2CC[NH+](C)CC2)c1 ZINC000094659425 374032026 /nfs/dbraw/zinc/03/20/26/374032026.db2.gz VEHRIYGYIISAIC-UHFFFAOYSA-N 1 0 278.356 1.563 20 5 CDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@H]3CCC[C@@H]32)c1 ZINC000610762680 374133632 /nfs/dbraw/zinc/13/36/32/374133632.db2.gz NXSMNHXKKHVNHF-KYOSRNDESA-N 1 0 292.335 1.819 20 5 CDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000225344534 374243208 /nfs/dbraw/zinc/24/32/08/374243208.db2.gz HTNHYVATJSTLFI-NSHDSACASA-N 1 0 298.774 1.906 20 5 CDBDRO Cc1nc(N[C@H](C)[C@@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000420156585 374289570 /nfs/dbraw/zinc/28/95/70/374289570.db2.gz FNHCHLFGXZEURA-PSASIEDQSA-N 1 0 265.317 1.493 20 5 CDBDRO [NH3+][C@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420176922 374290474 /nfs/dbraw/zinc/29/04/74/374290474.db2.gz XUSLODGQNLMFDV-VIFPVBQESA-N 1 0 275.268 1.182 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000093873356 374350507 /nfs/dbraw/zinc/35/05/07/374350507.db2.gz ROTKVGNGPWMPKA-UHFFFAOYSA-N 1 0 279.340 1.960 20 5 CDBDRO CN(CC(C)(C)C[NH3+])C(=O)c1ccc([N+](=O)[O-])s1 ZINC000093873357 374377518 /nfs/dbraw/zinc/37/75/18/374377518.db2.gz PIJQVSDADDPWAI-UHFFFAOYSA-N 1 0 271.342 1.713 20 5 CDBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000299085957 374380978 /nfs/dbraw/zinc/38/09/78/374380978.db2.gz GALWXJHEQSPAJG-SECBINFHSA-N 1 0 278.312 1.137 20 5 CDBDRO Cc1c([C@@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cccc1[N+](=O)[O-] ZINC000423442154 374381280 /nfs/dbraw/zinc/38/12/80/374381280.db2.gz VATZXFQRCGKRCL-WUWHUORYSA-N 1 0 261.325 1.772 20 5 CDBDRO C[C@H](C[NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423845410 246140536 /nfs/dbraw/zinc/14/05/36/246140536.db2.gz MSMNOKLIYFUDNR-SSDOTTSWSA-N 1 0 271.704 1.459 20 5 CDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCCC[NH2+]1 ZINC000080999765 374488067 /nfs/dbraw/zinc/48/80/67/374488067.db2.gz RSCWPTCTCSKDPZ-LBPRGKRZSA-N 1 0 277.324 1.743 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000383391693 374523347 /nfs/dbraw/zinc/52/33/47/374523347.db2.gz MQCFHAMUHIJPNM-IXALROIGSA-N 1 0 275.308 1.414 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@]1(F)CC[NH2+]C1 ZINC000376790082 374568796 /nfs/dbraw/zinc/56/87/96/374568796.db2.gz UBOYHEFCWXEHTN-NSHDSACASA-N 1 0 253.233 1.235 20 5 CDBDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000070112759 374648723 /nfs/dbraw/zinc/64/87/23/374648723.db2.gz BFCRSODXYBCXOG-RFHZTLPTSA-N 1 0 296.371 1.567 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000070172827 374653784 /nfs/dbraw/zinc/65/37/84/374653784.db2.gz NLPHXALZEHOCOF-DTWKUNHWSA-N 1 0 267.285 1.387 20 5 CDBDRO C[C@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000070176809 374655364 /nfs/dbraw/zinc/65/53/64/374655364.db2.gz KEBJDERYMHDYEC-FZMZJTMJSA-N 1 0 291.351 1.723 20 5 CDBDRO Cc1ccnc(N2CCC([C@H](C)[NH3+])CC2)c1[N+](=O)[O-] ZINC000070496683 374664028 /nfs/dbraw/zinc/66/40/28/374664028.db2.gz CYZYWNPBFOIMHZ-JTQLQIEISA-N 1 0 264.329 1.862 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@H]1O ZINC000424324891 246445420 /nfs/dbraw/zinc/44/54/20/246445420.db2.gz KJIKZZOVUIDBSE-IRUJWGPZSA-N 1 0 250.298 1.639 20 5 CDBDRO C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000037880268 374763030 /nfs/dbraw/zinc/76/30/30/374763030.db2.gz LXQYKEYXOVMVFO-KGYLQXTDSA-N 1 0 282.344 1.321 20 5 CDBDRO COc1cc(C[NH2+][C@H](C)CC(C)(C)O)c([N+](=O)[O-])cc1O ZINC000449452919 374810735 /nfs/dbraw/zinc/81/07/35/374810735.db2.gz VKYHKZGTMOBMBW-SECBINFHSA-N 1 0 298.339 1.948 20 5 CDBDRO CCN1C[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000449523663 374816722 /nfs/dbraw/zinc/81/67/22/374816722.db2.gz YYKVNIBJSGYQIR-DGCLKSJQSA-N 1 0 291.351 1.736 20 5 CDBDRO CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@@H](C)O ZINC000449532958 374819392 /nfs/dbraw/zinc/81/93/92/374819392.db2.gz AUOSSXQWHGQCTK-KOLCDFICSA-N 1 0 298.339 1.861 20 5 CDBDRO CC1CC[NH+](CCNC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000330478147 374856153 /nfs/dbraw/zinc/85/61/53/374856153.db2.gz MYWTVPLYEYYGDJ-UHFFFAOYSA-N 1 0 294.355 1.395 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)[C@H]1CCN(C)C1=O ZINC000266725604 374858252 /nfs/dbraw/zinc/85/82/52/374858252.db2.gz JBHUKNSRQLCGJB-GWCFXTLKSA-N 1 0 277.324 1.818 20 5 CDBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331332567 374930427 /nfs/dbraw/zinc/93/04/27/374930427.db2.gz SIFMWIWYBBVZLG-VXGBXAGGSA-N 1 0 282.344 1.417 20 5 CDBDRO C[C@@H](CO)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000282890352 375105560 /nfs/dbraw/zinc/10/55/60/375105560.db2.gz WCGZHZKVUBMWMA-JTQLQIEISA-N 1 0 254.286 1.286 20 5 CDBDRO C[NH+](C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000284060678 375130048 /nfs/dbraw/zinc/13/00/48/375130048.db2.gz QJMZQRHWYFPVTP-UHFFFAOYSA-N 1 0 286.719 1.931 20 5 CDBDRO CC[C@@H](CNc1c([N+](=O)[O-])ncn1C)[NH+]1CCCC1 ZINC000029623276 375450218 /nfs/dbraw/zinc/45/02/18/375450218.db2.gz IEXUNUOJNNYQSW-JTQLQIEISA-N 1 0 267.333 1.615 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](CO)C2CC2)cs1 ZINC000353153419 375581991 /nfs/dbraw/zinc/58/19/91/375581991.db2.gz NLKJTJACFTWXAT-SNVBAGLBSA-N 1 0 256.327 1.764 20 5 CDBDRO Cc1cc(C(=O)N(C)[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000058233582 375698388 /nfs/dbraw/zinc/69/83/88/375698388.db2.gz OVAJHOSORUCOPL-NSHDSACASA-N 1 0 263.297 1.337 20 5 CDBDRO CSC[C@@](C)(O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000217861605 375751063 /nfs/dbraw/zinc/75/10/63/375751063.db2.gz IHCXSTWYCXDEAM-LBPRGKRZSA-N 1 0 270.354 1.798 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000133541601 375797282 /nfs/dbraw/zinc/79/72/82/375797282.db2.gz ZMVYBOFOGCEDFY-LLVKDONJSA-N 1 0 293.323 1.427 20 5 CDBDRO CCCN(CC[NH+](C)C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356726909 375858083 /nfs/dbraw/zinc/85/80/83/375858083.db2.gz LRTDIXAHFZFMJQ-UHFFFAOYSA-N 1 0 295.339 1.714 20 5 CDBDRO C[C@H](C1CCC1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000357024361 375875604 /nfs/dbraw/zinc/87/56/04/375875604.db2.gz MVJWTFATJBQJQG-SNVBAGLBSA-N 1 0 252.318 1.912 20 5 CDBDRO CCN1CCC([N@H+](C)CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000358280534 375960789 /nfs/dbraw/zinc/96/07/89/375960789.db2.gz YVTLWYMTFSBVMB-UHFFFAOYSA-N 1 0 281.360 1.207 20 5 CDBDRO [NH3+]C[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000357973471 375943080 /nfs/dbraw/zinc/94/30/80/375943080.db2.gz WZLSUEDFOCMHDV-LQPUYASZSA-N 1 0 277.324 1.268 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000261776442 190044221 /nfs/dbraw/zinc/04/42/21/190044221.db2.gz PSMONOVJIGLVHA-ZETCQYMHSA-N 1 0 271.704 1.586 20 5 CDBDRO C[C@@H]1[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000345166590 377403635 /nfs/dbraw/zinc/40/36/35/377403635.db2.gz SQUNEEYHRCNZNN-ZJUUUORDSA-N 1 0 293.327 1.016 20 5 CDBDRO C[C@@H](Cn1cncn1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266834970 377463675 /nfs/dbraw/zinc/46/36/75/377463675.db2.gz FITSQDJGHMSAAF-QWRGUYRKSA-N 1 0 275.312 1.926 20 5 CDBDRO CN(C(=O)c1csc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C)C1 ZINC000172755881 377733911 /nfs/dbraw/zinc/73/39/11/377733911.db2.gz ROAUYSDRMDALDV-JTQLQIEISA-N 1 0 283.353 1.823 20 5 CDBDRO C[NH2+]C[C@@H](C)CNc1ncc([N+](=O)[O-])cc1Cl ZINC000300484656 377838814 /nfs/dbraw/zinc/83/88/14/377838814.db2.gz HGXWYYOAKZVFRW-SSDOTTSWSA-N 1 0 258.709 1.911 20 5 CDBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000289474807 197365314 /nfs/dbraw/zinc/36/53/14/197365314.db2.gz BFDCLBIGVOVEGG-UONOGXRCSA-N 1 0 291.351 1.642 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000441615531 249892438 /nfs/dbraw/zinc/89/24/38/249892438.db2.gz ZQATURWBJWDDER-ZETCQYMHSA-N 1 0 255.249 1.059 20 5 CDBDRO COc1cccc(C(=O)NC[C@@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000443945215 250064337 /nfs/dbraw/zinc/06/43/37/250064337.db2.gz GOBPSLSCKRFFIO-SECBINFHSA-N 1 0 281.312 1.283 20 5 CDBDRO Cc1ccc(NCCCNC(=O)[C@H]2CC[NH2+]2)c([N+](=O)[O-])c1 ZINC000444209980 250102226 /nfs/dbraw/zinc/10/22/26/250102226.db2.gz FEQVPRLKZIKETI-GFCCVEGCSA-N 1 0 292.339 1.183 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCN2CCC2)n1 ZINC000447585540 250389273 /nfs/dbraw/zinc/38/92/73/250389273.db2.gz JQHSKELOALDQFM-STQMWFEESA-N 1 0 293.371 1.570 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnnn1C ZINC000449330137 379641452 /nfs/dbraw/zinc/64/14/52/379641452.db2.gz SBJKRXRPUFRTNS-SNVBAGLBSA-N 1 0 275.312 1.444 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000453429234 252318266 /nfs/dbraw/zinc/31/82/66/252318266.db2.gz QFWRUVSHDSYSJL-ABAIWWIYSA-N 1 0 291.351 1.784 20 5 CDBDRO CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@@H+]1C ZINC000490296194 253033458 /nfs/dbraw/zinc/03/34/58/253033458.db2.gz DCJYZCMJOKPROA-LLVKDONJSA-N 1 0 280.328 1.335 20 5 CDBDRO C[NH+](C)C/C=C\C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000491684201 253095785 /nfs/dbraw/zinc/09/57/85/253095785.db2.gz CVEVJNSBKPHSOC-YVMONPNESA-N 1 0 292.339 1.241 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([C@H]3CCC[NH2+]3)CC2)cn1 ZINC000063201285 285120858 /nfs/dbraw/zinc/12/08/58/285120858.db2.gz BPCZBAYUDJYCIW-CYBMUJFWSA-N 1 0 276.340 1.958 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([C@H]3CCC[NH2+]3)CC2)nc1 ZINC000063201305 285120870 /nfs/dbraw/zinc/12/08/70/285120870.db2.gz ICDWGOCYGMPSPW-CYBMUJFWSA-N 1 0 276.340 1.958 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493192884 253395019 /nfs/dbraw/zinc/39/50/19/253395019.db2.gz WODOILMVJPZDRQ-QIUOEGRZSA-N 1 0 267.260 1.211 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCCCF)CC1 ZINC000298053046 285165909 /nfs/dbraw/zinc/16/59/09/285165909.db2.gz IYXXWKISCPSHNX-UHFFFAOYSA-N 1 0 282.319 1.862 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CC2CCC2)CC1 ZINC000298160166 285165827 /nfs/dbraw/zinc/16/58/27/285165827.db2.gz SKZBUJFXXMZLDT-UHFFFAOYSA-N 1 0 276.340 1.912 20 5 CDBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000505770472 254094530 /nfs/dbraw/zinc/09/45/30/254094530.db2.gz GCSCLXPTLCLSOU-UHFFFAOYSA-N 1 0 294.355 1.347 20 5 CDBDRO COCC[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000282153113 195523103 /nfs/dbraw/zinc/52/31/03/195523103.db2.gz HWJSWGVVMXLBOO-NSHDSACASA-N 1 0 254.286 1.082 20 5 CDBDRO CC[C@@H](O)CN1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000178228709 390847604 /nfs/dbraw/zinc/84/76/04/390847604.db2.gz CXDKGCYFCGTRIM-GFCCVEGCSA-N 1 0 294.355 1.191 20 5 CDBDRO C[C@H]1CCN(c2ncccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163930628 390941310 /nfs/dbraw/zinc/94/13/10/390941310.db2.gz SYLWWGIGDNEHOQ-UWVGGRQHSA-N 1 0 250.302 1.411 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000133877998 391083341 /nfs/dbraw/zinc/08/33/41/391083341.db2.gz YGSZRUPRWXEOIH-LLVKDONJSA-N 1 0 292.339 1.217 20 5 CDBDRO CO[C@](C)([C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000411935213 533347023 /nfs/dbraw/zinc/34/70/23/533347023.db2.gz BCOXPROINYRMPB-ZWNOBZJWSA-N 1 0 282.344 1.585 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000267134834 391243334 /nfs/dbraw/zinc/24/33/34/391243334.db2.gz SIDHUJNZLVZQRN-UHFFFAOYSA-N 1 0 294.355 1.051 20 5 CDBDRO C[NH2+]CCCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000415299583 391279381 /nfs/dbraw/zinc/27/93/81/391279381.db2.gz QHJSFRXAZCTTTD-UHFFFAOYSA-N 1 0 280.328 1.943 20 5 CDBDRO CC[NH2+]CCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000415425581 391412385 /nfs/dbraw/zinc/41/23/85/391412385.db2.gz CRDDQILQGUDJJT-UHFFFAOYSA-N 1 0 266.301 1.634 20 5 CDBDRO COc1ccc(NC(=O)N[C@@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000415434739 391432253 /nfs/dbraw/zinc/43/22/53/391432253.db2.gz HXDCUVXLKHHBEZ-VIFPVBQESA-N 1 0 296.327 1.852 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415629396 391469790 /nfs/dbraw/zinc/46/97/90/391469790.db2.gz ICPPPBLHQIUMEP-SECBINFHSA-N 1 0 282.275 1.560 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000415662863 391470744 /nfs/dbraw/zinc/47/07/44/391470744.db2.gz RRWLAFAUKBYVOF-SECBINFHSA-N 1 0 294.311 1.558 20 5 CDBDRO CCN(CCO)CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000184547153 391526524 /nfs/dbraw/zinc/52/65/24/391526524.db2.gz PCOWRPYMYRMAFH-UHFFFAOYSA-N 1 0 281.356 1.307 20 5 CDBDRO COc1cc(C(=O)N[C@H](C)[C@H](C)[NH3+])cc([N+](=O)[O-])c1OC ZINC000449595107 391644755 /nfs/dbraw/zinc/64/47/55/391644755.db2.gz ZUJNTIBGOYGLHT-JGVFFNPUSA-N 1 0 297.311 1.078 20 5 CDBDRO CN(CCOc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000574323715 391652196 /nfs/dbraw/zinc/65/21/96/391652196.db2.gz GUBUEQNDILXSLB-LLVKDONJSA-N 1 0 265.313 1.267 20 5 CDBDRO C[NH+](C)C1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000342139580 130297667 /nfs/dbraw/zinc/29/76/67/130297667.db2.gz ZKPYHHPGJYDWGR-UHFFFAOYSA-N 1 0 281.287 1.049 20 5 CDBDRO C[C@H]([NH2+][C@H]1CCN(C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178657920 391806487 /nfs/dbraw/zinc/80/64/87/391806487.db2.gz AHAUNYWSHLGNCH-CABZTGNLSA-N 1 0 263.297 1.476 20 5 CDBDRO COC(=O)N1CC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000496746026 391926451 /nfs/dbraw/zinc/92/64/51/391926451.db2.gz QPFFRAPZSRREOP-GFCCVEGCSA-N 1 0 291.307 1.622 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCCC[C@H]1O ZINC000245553344 391992179 /nfs/dbraw/zinc/99/21/79/391992179.db2.gz RGZVTZWBUOMUCL-VXGBXAGGSA-N 1 0 282.344 1.274 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000261580021 131153809 /nfs/dbraw/zinc/15/38/09/131153809.db2.gz PWWGBFGEWMMVGJ-VIFPVBQESA-N 1 0 251.286 1.241 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000261581775 131153814 /nfs/dbraw/zinc/15/38/14/131153814.db2.gz GGIFRZIZJSKNGT-VHSKPIJISA-N 1 0 266.301 1.039 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000261593000 131155024 /nfs/dbraw/zinc/15/50/24/131155024.db2.gz MRZYQDUYJKMSJF-XLDPMVHQSA-N 1 0 283.353 1.773 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000261674725 131161106 /nfs/dbraw/zinc/16/11/06/131161106.db2.gz GJASTWPENXYQIR-WCQYABFASA-N 1 0 277.324 1.729 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000261765223 131168087 /nfs/dbraw/zinc/16/80/87/131168087.db2.gz VKICUHFLRVFLHB-QWHCGFSZSA-N 1 0 289.335 1.585 20 5 CDBDRO C[C@H](C[NH3+])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000262290652 131209015 /nfs/dbraw/zinc/20/90/15/131209015.db2.gz YKXPTWOQBUMKRB-MRVPVSSYSA-N 1 0 285.731 1.801 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000262416598 131219326 /nfs/dbraw/zinc/21/93/26/131219326.db2.gz REOIFMXPMNSUMU-QPUJVOFHSA-N 1 0 278.312 1.047 20 5 CDBDRO O=C(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])NC1CC1 ZINC000263822787 131339500 /nfs/dbraw/zinc/33/95/00/131339500.db2.gz QOFNTZAAZUSCFK-HWKANZROSA-N 1 0 275.308 1.476 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000442762041 392492044 /nfs/dbraw/zinc/49/20/44/392492044.db2.gz ZPMIZKGIDRBBEV-VHSXEESVSA-N 1 0 290.323 1.905 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000459824834 392511129 /nfs/dbraw/zinc/51/11/29/392511129.db2.gz KHEPRKVWJDXXQP-WCQYABFASA-N 1 0 266.297 1.407 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC3(CCC3)C2)c1 ZINC000123238916 392760186 /nfs/dbraw/zinc/76/01/86/392760186.db2.gz OEGVDGNBWZOJTL-GFCCVEGCSA-N 1 0 280.328 1.028 20 5 CDBDRO CC[NH+]1CCN(CCNc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000266863817 131789487 /nfs/dbraw/zinc/78/94/87/131789487.db2.gz XTSNPJQAEMUBKM-UHFFFAOYSA-N 1 0 293.371 1.348 20 5 CDBDRO COCC[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488965596 392823313 /nfs/dbraw/zinc/82/33/13/392823313.db2.gz MCGMWCNYRQXXRK-NSHDSACASA-N 1 0 282.344 1.853 20 5 CDBDRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000419812895 392897406 /nfs/dbraw/zinc/89/74/06/392897406.db2.gz IJMQNAFAESFMSV-DGCLKSJQSA-N 1 0 298.339 1.215 20 5 CDBDRO C[NH2+]C[C@@H](C)CNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000420194441 392903780 /nfs/dbraw/zinc/90/37/80/392903780.db2.gz JKSZYKYHIBEKLE-MRVPVSSYSA-N 1 0 282.300 1.044 20 5 CDBDRO Cc1nc(N2CCC3(C2)CC[NH2+]CC3)ncc1[N+](=O)[O-] ZINC000420230336 392909009 /nfs/dbraw/zinc/90/90/09/392909009.db2.gz XAVPZDBFLXUUMY-UHFFFAOYSA-N 1 0 277.328 1.273 20 5 CDBDRO CCC[C@H]1C[NH2+]CCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC000420242237 392911933 /nfs/dbraw/zinc/91/19/33/392911933.db2.gz WLRZCJIXQMIJJN-JTQLQIEISA-N 1 0 265.317 1.272 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000522213085 392874528 /nfs/dbraw/zinc/87/45/28/392874528.db2.gz JGQDAYOMGWICMN-SNVBAGLBSA-N 1 0 280.328 1.383 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000268836148 132073759 /nfs/dbraw/zinc/07/37/59/132073759.db2.gz NQGDFGSMBWCORZ-JQWIXIFHSA-N 1 0 277.324 1.785 20 5 CDBDRO [NH3+]CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269109411 132113403 /nfs/dbraw/zinc/11/34/03/132113403.db2.gz MUDPTIRTBIVCGF-UHFFFAOYSA-N 1 0 263.253 1.420 20 5 CDBDRO CCC[C@H]([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269144885 132119961 /nfs/dbraw/zinc/11/99/61/132119961.db2.gz ZTRDZOHCKOUDCT-NSHDSACASA-N 1 0 285.731 1.992 20 5 CDBDRO Cc1c(CC(=O)N2CC[C@@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000423605748 392965615 /nfs/dbraw/zinc/96/56/15/392965615.db2.gz HLFRHIBMVYNTDX-HNNXBMFYSA-N 1 0 291.351 1.643 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000423639828 392966131 /nfs/dbraw/zinc/96/61/31/392966131.db2.gz FYIFXVJIOTXQBI-CABZTGNLSA-N 1 0 293.323 1.555 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[NH2+]CC12CCCCC2 ZINC000431098637 393106410 /nfs/dbraw/zinc/10/64/10/393106410.db2.gz HBRUHZVOUCNOEN-UHFFFAOYSA-N 1 0 293.371 1.436 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000195106649 393061876 /nfs/dbraw/zinc/06/18/76/393061876.db2.gz WIOSJYCMLIQCNJ-QMMMGPOBSA-N 1 0 283.715 1.812 20 5 CDBDRO C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000430964994 393107353 /nfs/dbraw/zinc/10/73/53/393107353.db2.gz HFIWJSYUFQRHFW-TXEJJXNPSA-N 1 0 279.340 1.656 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000449639811 393137594 /nfs/dbraw/zinc/13/75/94/393137594.db2.gz QRUOLTLCZUGYLX-BDAKNGLRSA-N 1 0 266.301 1.170 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc([N+](=O)[O-])c1 ZINC000449667556 393137773 /nfs/dbraw/zinc/13/77/73/393137773.db2.gz VDNSVFWXUCOZRJ-NSHDSACASA-N 1 0 299.277 1.630 20 5 CDBDRO CCN1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000391634205 393150174 /nfs/dbraw/zinc/15/01/74/393150174.db2.gz MFJLWKIIUDWVQR-CMPLNLGQSA-N 1 0 277.324 1.866 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493594878 393216258 /nfs/dbraw/zinc/21/62/58/393216258.db2.gz HVMHBMLYYSHEGA-RNZFLTOJSA-N 1 0 295.314 1.847 20 5 CDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1ncccc1[N+](=O)[O-] ZINC000275840934 135113839 /nfs/dbraw/zinc/11/38/39/135113839.db2.gz PVDFJSQQOJBSGA-NSHDSACASA-N 1 0 294.355 1.271 20 5 CDBDRO CCOc1ccc(C(=O)N2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000178550618 140005698 /nfs/dbraw/zinc/00/56/98/140005698.db2.gz ZDTVDGYKSYAIOF-JTQLQIEISA-N 1 0 293.323 1.414 20 5 CDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000178967311 140010579 /nfs/dbraw/zinc/01/05/79/140010579.db2.gz NAXJXOQRRMHSCC-JTQLQIEISA-N 1 0 299.352 1.015 20 5 CDBDRO Cc1ccc(S(=O)(=O)NCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000230052917 140206805 /nfs/dbraw/zinc/20/68/05/140206805.db2.gz COOWKLWPRMMVHH-UHFFFAOYSA-N 1 0 299.352 1.063 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC[N@@H+]1C ZINC000231677254 140217762 /nfs/dbraw/zinc/21/77/62/140217762.db2.gz DDBCZSOFWFNCRK-MWLCHTKSSA-N 1 0 293.323 1.513 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000236051848 140238453 /nfs/dbraw/zinc/23/84/53/140238453.db2.gz OYUZQVWIRFTKLA-ZETCQYMHSA-N 1 0 256.693 1.665 20 5 CDBDRO COc1ccc(CN2CC[C@@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000251645137 140310639 /nfs/dbraw/zinc/31/06/39/140310639.db2.gz GCILFOASLOFDHN-ZYHUDNBSSA-N 1 0 279.340 1.773 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000252551791 140320290 /nfs/dbraw/zinc/32/02/90/140320290.db2.gz PYASEPOENMUAGQ-KBPBESRZSA-N 1 0 277.324 1.870 20 5 CDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261654183 140369908 /nfs/dbraw/zinc/36/99/08/140369908.db2.gz HRCJHFLGAFRWGW-LBPRGKRZSA-N 1 0 277.324 1.713 20 5 CDBDRO CCc1nn(C)c(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000261734668 140382702 /nfs/dbraw/zinc/38/27/02/140382702.db2.gz LNSZDTJFNKDOTO-KOLCDFICSA-N 1 0 279.344 1.079 20 5 CDBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261816143 140394718 /nfs/dbraw/zinc/39/47/18/140394718.db2.gz STINNDOWOXUGHP-GXFFZTMASA-N 1 0 279.315 1.918 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCC[NH2+]C1 ZINC000423197382 397602201 /nfs/dbraw/zinc/60/22/01/397602201.db2.gz ZERNPAOSDGRJKV-AAEUAGOBSA-N 1 0 263.341 1.867 20 5 CDBDRO CCc1nn(C)c(N2CCC[C@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000091562365 146985758 /nfs/dbraw/zinc/98/57/58/146985758.db2.gz YQXBCGQDLXUWOE-ZJUUUORDSA-N 1 0 281.360 1.454 20 5 CDBDRO Nc1c(C(=O)NCC[C@H]2CC[NH2+]C2)cc(F)cc1[N+](=O)[O-] ZINC000262581192 149077976 /nfs/dbraw/zinc/07/79/76/149077976.db2.gz MCCOJPSXEWEUQG-MRVPVSSYSA-N 1 0 296.302 1.046 20 5 CDBDRO C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000305759747 149155384 /nfs/dbraw/zinc/15/53/84/149155384.db2.gz IXSDYKPTXMANLM-NOZJJQNGSA-N 1 0 268.288 1.937 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000311407667 149213170 /nfs/dbraw/zinc/21/31/70/149213170.db2.gz JQMDIQGCFXNLED-SSDOTTSWSA-N 1 0 281.341 1.962 20 5 CDBDRO Cc1cccc(C(=O)N[C@@H](C)CC[NH3+])c1[N+](=O)[O-] ZINC000336793912 151711002 /nfs/dbraw/zinc/71/10/02/151711002.db2.gz YWPNHTUHXOPGRS-VIFPVBQESA-N 1 0 251.286 1.370 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c1 ZINC000344035334 152398327 /nfs/dbraw/zinc/39/83/27/152398327.db2.gz RQTHRSFYZGEZFK-TUKIKUTGSA-N 1 0 292.335 1.676 20 5 CDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1O ZINC000352697646 155374608 /nfs/dbraw/zinc/37/46/08/155374608.db2.gz LQHVGLBALJWPFJ-ZIAGYGMSSA-N 1 0 280.324 1.819 20 5 CDBDRO CO[C@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000346863123 153331751 /nfs/dbraw/zinc/33/17/51/153331751.db2.gz XDIFYBSQCNHJKM-KBPBESRZSA-N 1 0 293.367 1.841 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH3+])[C@H](C)C2)n1 ZINC000162871728 292288100 /nfs/dbraw/zinc/28/81/00/292288100.db2.gz UESOCEIMDXOUNX-PSASIEDQSA-N 1 0 250.302 1.472 20 5 CDBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000349243387 154073274 /nfs/dbraw/zinc/07/32/74/154073274.db2.gz BWETXKMRWGIZLX-NXEZZACHSA-N 1 0 295.339 1.908 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359280769 158196699 /nfs/dbraw/zinc/19/66/99/158196699.db2.gz IEMBOVALWKNXGX-VXGBXAGGSA-N 1 0 277.324 1.125 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000361955649 159023721 /nfs/dbraw/zinc/02/37/21/159023721.db2.gz UGWSRDWOFAAHHR-CYBMUJFWSA-N 1 0 294.355 1.540 20 5 CDBDRO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+]1C ZINC000362996017 159286513 /nfs/dbraw/zinc/28/65/13/159286513.db2.gz GXQLDSVVXKAJPX-GFCCVEGCSA-N 1 0 280.328 1.335 20 5 CDBDRO C[C@]1([NH2+]CCn2cc([N+](=O)[O-])cn2)CCO[C@@H]1C1CC1 ZINC000374634118 160303037 /nfs/dbraw/zinc/30/30/37/160303037.db2.gz YNEUXDTXAWCOBS-OLZOCXBDSA-N 1 0 280.328 1.339 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[NH+](C)C)c1 ZINC000284444872 196056899 /nfs/dbraw/zinc/05/68/99/196056899.db2.gz QLEXXRWVDYAIGM-UHFFFAOYSA-N 1 0 295.339 1.627 20 5 CDBDRO COCCOCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000020192757 171058736 /nfs/dbraw/zinc/05/87/36/171058736.db2.gz GMSQANFUZZBPAI-UHFFFAOYSA-N 1 0 268.313 1.738 20 5 CDBDRO CC[NH+](CC)CCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000023380615 171420837 /nfs/dbraw/zinc/42/08/37/171420837.db2.gz CKMONTVAYFOMOZ-UHFFFAOYSA-N 1 0 280.328 1.447 20 5 CDBDRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285123773 196201846 /nfs/dbraw/zinc/20/18/46/196201846.db2.gz LEKAALMXLZPWIJ-VIFPVBQESA-N 1 0 294.355 1.600 20 5 CDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CC[NH2+]CC1 ZINC000037116514 172967346 /nfs/dbraw/zinc/96/73/46/172967346.db2.gz BSNJDHZZIBESJJ-ZZXKWVIFSA-N 1 0 275.308 1.476 20 5 CDBDRO CNC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000037224697 173044816 /nfs/dbraw/zinc/04/48/16/173044816.db2.gz VOQKBGZZSJNCRK-SECBINFHSA-N 1 0 251.286 1.300 20 5 CDBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C ZINC000037505147 173240756 /nfs/dbraw/zinc/24/07/56/173240756.db2.gz MDVNVCIAXPTOON-VIFPVBQESA-N 1 0 251.286 1.161 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000040596011 174349046 /nfs/dbraw/zinc/34/90/46/174349046.db2.gz RCRHATSVCOLSIK-SNVBAGLBSA-N 1 0 280.328 1.005 20 5 CDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)Nc1cccc([N+](=O)[O-])c1 ZINC000044492350 175181130 /nfs/dbraw/zinc/18/11/30/175181130.db2.gz WYJIOMOOGRTHBH-NSHDSACASA-N 1 0 278.312 1.858 20 5 CDBDRO Cc1nn(C)c(NCC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000044526247 175191479 /nfs/dbraw/zinc/19/14/79/175191479.db2.gz ZXVJTOCYTUOFTQ-UHFFFAOYSA-N 1 0 267.333 1.390 20 5 CDBDRO Cc1nn(C)c(NC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000044538001 175199449 /nfs/dbraw/zinc/19/94/49/175199449.db2.gz FZFVNUKSHMITDE-JTQLQIEISA-N 1 0 267.333 1.390 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000044537662 175199962 /nfs/dbraw/zinc/19/99/62/175199962.db2.gz XFTBPQVVPKVWTH-JTQLQIEISA-N 1 0 250.302 1.744 20 5 CDBDRO CCOc1ccc(C(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000076534891 177035121 /nfs/dbraw/zinc/03/51/21/177035121.db2.gz FEKKSLUBZWQEDG-UHFFFAOYSA-N 1 0 279.296 1.039 20 5 CDBDRO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)(C)O ZINC000078738822 177379990 /nfs/dbraw/zinc/37/99/90/177379990.db2.gz WUHFCIRMZYPSGQ-UHFFFAOYSA-N 1 0 295.339 1.287 20 5 CDBDRO Cc1ccc(NC[C@@H]2C[NH2+]CCN2C)c([N+](=O)[O-])c1 ZINC000394728538 270338682 /nfs/dbraw/zinc/33/86/82/270338682.db2.gz GEBCJTPOKABAJH-NSHDSACASA-N 1 0 264.329 1.219 20 5 CDBDRO C[NH+](C)CCCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000086964485 260223217 /nfs/dbraw/zinc/22/32/17/260223217.db2.gz PDTHEVHVKJUBHG-UHFFFAOYSA-N 1 0 279.340 1.595 20 5 CDBDRO [NH3+]C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000313339879 260285846 /nfs/dbraw/zinc/28/58/46/260285846.db2.gz CNYUHXDRGCBELT-AWEZNQCLSA-N 1 0 279.340 1.187 20 5 CDBDRO CCC[N@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000185208991 262302023 /nfs/dbraw/zinc/30/20/23/262302023.db2.gz AEQUEFFXESYGIH-UHFFFAOYSA-N 1 0 295.343 1.034 20 5 CDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000525804631 262366712 /nfs/dbraw/zinc/36/67/12/262366712.db2.gz HQDFCQOCYMQANI-SECBINFHSA-N 1 0 283.353 1.728 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000313263670 270324638 /nfs/dbraw/zinc/32/46/38/270324638.db2.gz DNBRQJKCBPRXIE-DANTVBBOSA-N 1 0 289.335 1.818 20 5 CDBDRO COc1cc(NC[C@H]2C[NH2+]CCN2C)c([N+](=O)[O-])cc1F ZINC000394821679 270339595 /nfs/dbraw/zinc/33/95/95/270339595.db2.gz PVNRBIICLNNLPK-SECBINFHSA-N 1 0 298.318 1.058 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000397232129 270346648 /nfs/dbraw/zinc/34/66/48/270346648.db2.gz ROSQGLCEODCPPJ-BQYQJAHWSA-N 1 0 277.324 1.852 20 5 CDBDRO C[C@@H](NC(=O)C1(C)C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000399230946 270371417 /nfs/dbraw/zinc/37/14/17/270371417.db2.gz JYDNUTCUXIHFCO-SECBINFHSA-N 1 0 263.297 1.382 20 5 CDBDRO CC(C)[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H](C)[NH3+] ZINC000399600443 270374308 /nfs/dbraw/zinc/37/43/08/270374308.db2.gz VAUAACFWPGMPNA-BXUZGUMPSA-N 1 0 293.367 1.873 20 5 CDBDRO CN(CC(C)(C)C[NH3+])C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000262571337 273831583 /nfs/dbraw/zinc/83/15/83/273831583.db2.gz ARBSLEBKXVXZKT-UHFFFAOYSA-N 1 0 295.339 1.417 20 5 CDBDRO C[NH+]1C[C@@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@H]2C1 ZINC000362670673 273938581 /nfs/dbraw/zinc/93/85/81/273938581.db2.gz WOPARLSBKZEQHU-GHMZBOCLSA-N 1 0 299.334 1.536 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CCC[N@H+](CCO)CC2)c1 ZINC000090794780 274117865 /nfs/dbraw/zinc/11/78/65/274117865.db2.gz DDQHXBZYDOFIFW-UHFFFAOYSA-N 1 0 295.339 1.108 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@H](C)[NH3+] ZINC000414662172 274118791 /nfs/dbraw/zinc/11/87/91/274118791.db2.gz YZPMKCUMACQTPY-QMMMGPOBSA-N 1 0 282.300 1.462 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423523597 274209406 /nfs/dbraw/zinc/20/94/06/274209406.db2.gz YTIPXOBTWFFEHI-VIFPVBQESA-N 1 0 288.307 1.610 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000186696082 274565604 /nfs/dbraw/zinc/56/56/04/274565604.db2.gz ULXRDGGVLABGFP-QPUJVOFHSA-N 1 0 281.287 1.462 20 5 CDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000286246826 274643456 /nfs/dbraw/zinc/64/34/56/274643456.db2.gz BZZZGXPNLIKEGM-CMPLNLGQSA-N 1 0 277.328 1.448 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000186788628 274681326 /nfs/dbraw/zinc/68/13/26/274681326.db2.gz PXARAUDPOQKKNU-MFKMUULPSA-N 1 0 277.324 1.631 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228165780 274724364 /nfs/dbraw/zinc/72/43/64/274724364.db2.gz NEFBVOVMFGIYPJ-UWVGGRQHSA-N 1 0 250.302 1.472 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000044555704 274947758 /nfs/dbraw/zinc/94/77/58/274947758.db2.gz MSFNJYAKSZPDOR-LBPRGKRZSA-N 1 0 278.312 1.940 20 5 CDBDRO [NH3+][C@@H]1CCCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000420126727 274956443 /nfs/dbraw/zinc/95/64/43/274956443.db2.gz UMGCPQZTMCLTAD-SECBINFHSA-N 1 0 273.296 1.466 20 5 CDBDRO Nc1nc(N2CCC[C@H]2C[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000275074051 274965978 /nfs/dbraw/zinc/96/59/78/274965978.db2.gz VXEIEKHSPCCGID-JTQLQIEISA-N 1 0 292.343 1.032 20 5 CDBDRO CN(CC(=O)NCCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000173033496 276759333 /nfs/dbraw/zinc/75/93/33/276759333.db2.gz ORGXZWOBTJUZGX-UHFFFAOYSA-N 1 0 294.355 1.099 20 5 CDBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000355481205 277040208 /nfs/dbraw/zinc/04/02/08/277040208.db2.gz SUQNRSNHGGMNII-JTQLQIEISA-N 1 0 295.343 1.168 20 5 CDBDRO C[N@@H+]1CCC[C@H]1CCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332184707 277078979 /nfs/dbraw/zinc/07/89/79/277078979.db2.gz XNMQIPSBSDYCOA-ZDUSSCGKSA-N 1 0 290.367 1.832 20 5 CDBDRO C[NH2+]CCCN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000420392603 277267077 /nfs/dbraw/zinc/26/70/77/277267077.db2.gz VZBPGXHJWBANCN-UHFFFAOYSA-N 1 0 294.355 1.383 20 5 CDBDRO CO[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000359042142 277340745 /nfs/dbraw/zinc/34/07/45/277340745.db2.gz KEHGOTMZDKDQBH-MNOVXSKESA-N 1 0 297.330 1.672 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000157825339 277936705 /nfs/dbraw/zinc/93/67/05/277936705.db2.gz DQRQWAPWZLVEML-VIFPVBQESA-N 1 0 279.296 1.167 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000261613667 278098915 /nfs/dbraw/zinc/09/89/15/278098915.db2.gz SVGGQDLNEVIWHT-VXNVDRBHSA-N 1 0 283.715 1.810 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H](C[NH3+])C1 ZINC000235348219 278540023 /nfs/dbraw/zinc/54/00/23/278540023.db2.gz YGHJNZONLBOPAS-BDAKNGLRSA-N 1 0 266.301 1.122 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000235347931 278544244 /nfs/dbraw/zinc/54/42/44/278544244.db2.gz YEFKFBQTUGDNIR-SCZZXKLOSA-N 1 0 283.353 1.856 20 5 CDBDRO C[NH+](C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000047921475 279155364 /nfs/dbraw/zinc/15/53/64/279155364.db2.gz QYNVERYKDFBRLE-ZDUSSCGKSA-N 1 0 277.324 1.665 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000053202355 279182968 /nfs/dbraw/zinc/18/29/68/279182968.db2.gz VFTGXBZEZCBRBH-SBDDDAINSA-N 1 0 289.335 1.818 20 5 CDBDRO C[C@H]([NH2+]CCNc1cnccn1)c1ccc([N+](=O)[O-])cc1 ZINC000361971251 279470874 /nfs/dbraw/zinc/47/08/74/279470874.db2.gz KTAXRTOODJWYEQ-NSHDSACASA-N 1 0 287.323 1.569 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000131975338 279693390 /nfs/dbraw/zinc/69/33/90/279693390.db2.gz BTHXYEOMFFYDET-JIVBQCDMSA-N 1 0 289.335 1.804 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000237326629 280171460 /nfs/dbraw/zinc/17/14/60/280171460.db2.gz QUJDBPVPEQIZTM-SECBINFHSA-N 1 0 281.312 1.189 20 5 CDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000131921148 288689066 /nfs/dbraw/zinc/68/90/66/288689066.db2.gz DYKWLPWRHRIJTM-RKDXNWHRSA-N 1 0 281.287 1.543 20 5 CDBDRO COC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000541593810 289500876 /nfs/dbraw/zinc/50/08/76/289500876.db2.gz BYTYMQPUAIGEBB-LBPRGKRZSA-N 1 0 295.339 1.454 20 5 CDBDRO CCCC[NH+]1CCC(NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548090974 289841425 /nfs/dbraw/zinc/84/14/25/289841425.db2.gz UXDOHOGQPYXNDL-UHFFFAOYSA-N 1 0 295.343 1.312 20 5 CDBDRO C[C@H](CCCO)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567875867 293896526 /nfs/dbraw/zinc/89/65/26/293896526.db2.gz MLWKFUZEHDJSLS-YPMHNXCESA-N 1 0 298.339 1.085 20 5 CDBDRO CC[N@H+](C)C[C@@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000570354186 294223127 /nfs/dbraw/zinc/22/31/27/294223127.db2.gz VJFMKYGYXBXGFH-OCCSQVGLSA-N 1 0 295.383 1.866 20 5 CDBDRO CC[C@H]([NH3+])CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000571774486 294504149 /nfs/dbraw/zinc/50/41/49/294504149.db2.gz QOSGQNGVIUINME-JTQLQIEISA-N 1 0 296.327 1.010 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000237632508 298534993 /nfs/dbraw/zinc/53/49/93/298534993.db2.gz CHVIEGWXAJPQQR-SSDOTTSWSA-N 1 0 255.249 1.153 20 5 CDBDRO COc1ccc(C(=O)NCCC[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000576941431 317234758 /nfs/dbraw/zinc/23/47/58/317234758.db2.gz GINKCDMWCXQMBN-UHFFFAOYSA-N 1 0 295.339 1.721 20 5 CDBDRO [NH3+]CC[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C(F)F ZINC000383478441 323668256 /nfs/dbraw/zinc/66/82/56/323668256.db2.gz TVHCSBHQGHMMTQ-MRVPVSSYSA-N 1 0 273.239 1.307 20 5 CDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000580090056 324366625 /nfs/dbraw/zinc/36/66/25/324366625.db2.gz JUGBVXJOOCWGOK-NWDGAFQWSA-N 1 0 290.323 1.720 20 5 CDBDRO CC(C)Oc1nc(NC[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000582976340 325083439 /nfs/dbraw/zinc/08/34/39/325083439.db2.gz WHHYVBPTUVSUCE-LLVKDONJSA-N 1 0 296.371 1.809 20 5 CDBDRO [NH3+]CCCCC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000566853688 482440390 /nfs/dbraw/zinc/44/03/90/482440390.db2.gz QGFRJECLHVNOAW-UHFFFAOYSA-N 1 0 281.312 1.219 20 5 CDBDRO CCOc1cccc(N[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000135050842 521401070 /nfs/dbraw/zinc/40/10/70/521401070.db2.gz RTSXZNYPKQDVRU-VIFPVBQESA-N 1 0 251.286 1.767 20 5 CDBDRO CC(C)[NH2+]CCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943252 519720134 /nfs/dbraw/zinc/72/01/34/519720134.db2.gz SPJRTDOINUIUMB-UHFFFAOYSA-N 1 0 265.313 1.599 20 5 CDBDRO COCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000052808102 521821605 /nfs/dbraw/zinc/82/16/05/521821605.db2.gz NEFWPUAOTUVKSN-JOYOIKCWSA-N 1 0 281.312 1.136 20 5 CDBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cn1)[N@H+](C)C1CC1 ZINC000068913106 524754794 /nfs/dbraw/zinc/75/47/94/524754794.db2.gz NICHPBQNUWMFIJ-VIFPVBQESA-N 1 0 250.302 1.884 20 5 CDBDRO C[C@@H](CNc1ncccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000068913154 524761990 /nfs/dbraw/zinc/76/19/90/524761990.db2.gz OBIDSOARFBTUKP-VIFPVBQESA-N 1 0 250.302 1.884 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000070175909 526267295 /nfs/dbraw/zinc/26/72/95/526267295.db2.gz QGZOYSKTWIZJGA-GWCFXTLKSA-N 1 0 277.324 1.794 20 5 CDBDRO [NH3+]C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000236268501 527227670 /nfs/dbraw/zinc/22/76/70/527227670.db2.gz KBYNZAKGJBOFAW-ZDUSSCGKSA-N 1 0 277.324 1.842 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC3(C2)CCOCC3)n1 ZINC000363361308 527406609 /nfs/dbraw/zinc/40/66/09/527406609.db2.gz ROYBJNHHOVMDCV-UHFFFAOYSA-N 1 0 280.328 1.294 20 5 CDBDRO CC[C@](C)([NH2+]Cc1cccc([N+](=O)[O-])c1C)C(N)=O ZINC000177126596 529371913 /nfs/dbraw/zinc/37/19/13/529371913.db2.gz GWMCBWVIKWLOIJ-ZDUSSCGKSA-N 1 0 265.313 1.647 20 5 CDBDRO C[NH+](C)CCCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000248059934 535834663 /nfs/dbraw/zinc/83/46/63/535834663.db2.gz YXCPLZGWKYFKNX-UHFFFAOYSA-N 1 0 281.312 1.042 20 5 CDBDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000237030879 535952020 /nfs/dbraw/zinc/95/20/20/535952020.db2.gz CLNLDRTZQCUDJF-GWCFXTLKSA-N 1 0 294.355 1.496 20 5 CDBDRO CCc1nn(C)c(NCC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000097934189 536181387 /nfs/dbraw/zinc/18/13/87/536181387.db2.gz PLYJPXYYUBGCGC-UHFFFAOYSA-N 1 0 281.360 1.787 20 5 CDBDRO C[NH2+][C@@H](C)Cc1noc(COc2ccc([N+](=O)[O-])cc2)n1 ZINC000261849395 536348780 /nfs/dbraw/zinc/34/87/80/536348780.db2.gz SSFZWOSSMYNVGG-VIFPVBQESA-N 1 0 292.295 1.707 20 5 CDBDRO COc1cc(N2C[C@H](C[NH3+])C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000261650902 536832133 /nfs/dbraw/zinc/83/21/33/536832133.db2.gz RRSXVYVZVJLTGQ-BDAKNGLRSA-N 1 0 283.303 1.916 20 5 CDBDRO COCC[N@@H+]1CC[C@H](Nc2nc(C)ccc2[N+](=O)[O-])C1 ZINC000268779577 536879115 /nfs/dbraw/zinc/87/91/15/536879115.db2.gz BRFTXPRBQNYPLF-NSHDSACASA-N 1 0 280.328 1.431 20 5 CDBDRO CNC(=O)[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449202866 545520316 /nfs/dbraw/zinc/52/03/16/545520316.db2.gz KOIJVWYMZKCQLF-RISCZKNCSA-N 1 0 293.367 1.886 20 5 CDBDRO CN1CC[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000729681471 574820357 /nfs/dbraw/zinc/82/03/57/574820357.db2.gz DIBRGHWCQSRASG-LLVKDONJSA-N 1 0 293.323 1.160 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H](CO)C1CC1 ZINC000734165035 575161405 /nfs/dbraw/zinc/16/14/05/575161405.db2.gz SKCBTJXAXAIUBG-LQPUYASZSA-N 1 0 262.309 1.969 20 5 CDBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1(O)CCC1 ZINC000759875606 576439891 /nfs/dbraw/zinc/43/98/91/576439891.db2.gz CVBUDXIPNOZMLH-CYBMUJFWSA-N 1 0 280.324 1.475 20 5 CDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000744344310 576675448 /nfs/dbraw/zinc/67/54/48/576675448.db2.gz AHGGLXWUUUZIHO-SNVBAGLBSA-N 1 0 295.314 1.948 20 5 CDBDRO CCN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000891448584 617401579 /nfs/dbraw/zinc/40/15/79/617401579.db2.gz RJRWTOBBZNMNOA-ZDUSSCGKSA-N 1 0 292.339 1.488 20 5 CDBDRO Cn1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(C2CC2)n1 ZINC000893135760 617401780 /nfs/dbraw/zinc/40/17/80/617401780.db2.gz SPDLORMRNWUSGP-UHFFFAOYSA-N 1 0 290.327 1.192 20 5 CDBDRO C[C@@H]1CCC[N@H+](CCNc2c([N+](=O)[O-])cnn2C)C1 ZINC000891838372 617633891 /nfs/dbraw/zinc/63/38/91/617633891.db2.gz QZPBXQOJSDCMMG-SNVBAGLBSA-N 1 0 267.333 1.472 20 5 CDBDRO COc1c(O)ccc(C[NH2+]CC2CCOCC2)c1[N+](=O)[O-] ZINC000892812620 617777742 /nfs/dbraw/zinc/77/77/42/617777742.db2.gz ZBEXTLHCHOTMFZ-UHFFFAOYSA-N 1 0 296.323 1.825 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000893872077 618117293 /nfs/dbraw/zinc/11/72/93/618117293.db2.gz OHOFMQSAISXZJR-NSHDSACASA-N 1 0 277.324 1.727 20 5 CDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2c2ncc([N+](=O)[O-])cc2F)C1 ZINC000893935602 618195791 /nfs/dbraw/zinc/19/57/91/618195791.db2.gz RDJJWBKWVWSIHN-KWQFWETISA-N 1 0 266.276 1.269 20 5 CDBDRO CC[C@@H](C)[NH+]1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000894100829 618407910 /nfs/dbraw/zinc/40/79/10/618407910.db2.gz BPATXQUOOFCEEX-SNVBAGLBSA-N 1 0 267.333 1.249 20 5 CDBDRO C[C@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000818011250 618493241 /nfs/dbraw/zinc/49/32/41/618493241.db2.gz XBXKMPICQZRLJK-GXSJLCMTSA-N 1 0 292.339 1.234 20 5 CDBDRO CC(C)C[N@H+](C)CCCNc1c([N+](=O)[O-])cnn1C ZINC000894376555 618833884 /nfs/dbraw/zinc/83/38/84/618833884.db2.gz FLTKRKAQCBSOAY-UHFFFAOYSA-N 1 0 269.349 1.718 20 5 CDBDRO COc1c(O)ccc(C[NH2+]CC2=CCCOC2)c1[N+](=O)[O-] ZINC000894513948 618931333 /nfs/dbraw/zinc/93/13/33/618931333.db2.gz SKLVPUUAUPZNPV-UHFFFAOYSA-N 1 0 294.307 1.745 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000902808854 625399364 /nfs/dbraw/zinc/39/93/64/625399364.db2.gz GMNNLNICMILBFD-ITGUQSILSA-N 1 0 290.323 1.619 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@@H](O)C1CC1 ZINC000898205548 621362872 /nfs/dbraw/zinc/36/28/72/621362872.db2.gz DTNWUUFOPHYLLL-CYBMUJFWSA-N 1 0 250.298 1.845 20 5 CDBDRO CC[NH+](CC)[C@H](CNCC[N+](=O)[O-])c1cccc(OC)c1 ZINC000899863929 622497471 /nfs/dbraw/zinc/49/74/71/622497471.db2.gz CJFCWLZBSXWYAA-OAHLLOKOSA-N 1 0 295.383 1.944 20 5 CDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCON ZINC000902417247 624779059 /nfs/dbraw/zinc/77/90/59/624779059.db2.gz HSFWPXRWVQFLGM-NSHDSACASA-N 1 0 267.329 1.786 20 5 CDBDRO CC(C)Oc1ccc(CC[NH2+]CC[N+](=O)[O-])cc1 ZINC000905036830 626378061 /nfs/dbraw/zinc/37/80/61/626378061.db2.gz VIHZSKSJNFNQDD-UHFFFAOYSA-N 1 0 252.314 1.883 20 5 CDBDRO C[C@@H]1CN(Cc2cccc(C[NH2+]CC[N+](=O)[O-])c2)CCO1 ZINC000905060112 626609912 /nfs/dbraw/zinc/60/99/12/626609912.db2.gz KIOKQNLXTVAZMM-CYBMUJFWSA-N 1 0 293.367 1.274 20 5 CDBDRO CC(C)(C)OC(=O)N1CCCC[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905063511 626611675 /nfs/dbraw/zinc/61/16/75/626611675.db2.gz AUERZVOMBSHRBC-NSHDSACASA-N 1 0 287.360 1.642 20 5 CDBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNCC[N+](=O)[O-])C1 ZINC000905107401 626623257 /nfs/dbraw/zinc/62/32/57/626623257.db2.gz YHFSPBNFNQUAMC-LBPRGKRZSA-N 1 0 257.378 1.753 20 5 CDBDRO COc1cccc(OCCC[NH2+]CC[N+](=O)[O-])c1 ZINC000905132829 626647291 /nfs/dbraw/zinc/64/72/91/626647291.db2.gz JBMGHNSCOXHLJJ-UHFFFAOYSA-N 1 0 254.286 1.330 20 5 CDBDRO COc1ccc(C[C@H](C)C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905188045 626667580 /nfs/dbraw/zinc/66/75/80/626667580.db2.gz IFIFTABLGJLJIT-NSHDSACASA-N 1 0 252.314 1.740 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000905263469 626712473 /nfs/dbraw/zinc/71/24/73/626712473.db2.gz QEHYXSQQWQNOTB-JTQLQIEISA-N 1 0 253.277 1.271 20 5 CDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000905393293 626808263 /nfs/dbraw/zinc/80/82/63/626808263.db2.gz ABKFEKIDCVXGFM-SNVBAGLBSA-N 1 0 287.722 1.924 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCO[C@@H]2CCOC2)cc1 ZINC000905610743 626894341 /nfs/dbraw/zinc/89/43/41/626894341.db2.gz VXWPLLDAAIIVBA-ZIAGYGMSSA-N 1 0 296.323 1.023 20 5 CDBDRO [NH3+]C1CC(NCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000906510025 627297763 /nfs/dbraw/zinc/29/77/63/627297763.db2.gz HNAHOLSMUOPFEK-UHFFFAOYSA-N 1 0 255.705 1.828 20 5 CDBDRO [NH3+]C1CC(NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000906509249 627297793 /nfs/dbraw/zinc/29/77/93/627297793.db2.gz CDNDNYMOAOXGRI-UHFFFAOYSA-N 1 0 255.705 1.828 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH2+]CC1 ZINC000911627888 629373310 /nfs/dbraw/zinc/37/33/10/629373310.db2.gz DQBZRHZRCMOIMH-UHFFFAOYSA-N 1 0 295.364 1.799 20 5 CDBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000913536463 630531132 /nfs/dbraw/zinc/53/11/32/630531132.db2.gz BMMLNOPTHPFSCZ-OKILXGFUSA-N 1 0 289.335 1.442 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@@H+]1C ZINC000157694922 630609353 /nfs/dbraw/zinc/60/93/53/630609353.db2.gz HOOXQJYSIYLOFH-UWVGGRQHSA-N 1 0 295.314 1.946 20 5 CDBDRO [NH3+]C1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000033442040 632315499 /nfs/dbraw/zinc/31/54/99/632315499.db2.gz BBTOIVFZNCUBOC-UHFFFAOYSA-N 1 0 283.715 1.812 20 5 CDBDRO COc1ccc(C[C@@H](C)[NH2+]CCN(C)C)c([N+](=O)[O-])c1 ZINC001170290423 1162333007 /nfs/dbraw/zinc/33/30/07/1162333007.db2.gz CBUHLFZAJSXAJF-LLVKDONJSA-N 1 0 281.356 1.686 20 5 CDBDRO COC(=O)c1ccnc(N2CCC[C@H]([NH3+])[C@@H]2C)c1[N+](=O)[O-] ZINC001157741362 1162371430 /nfs/dbraw/zinc/37/14/30/1162371430.db2.gz KKJXUEHNJOJJJJ-WPRPVWTQSA-N 1 0 294.311 1.092 20 5 CDBDRO C[NH2+]CCN(c1nc(C)ncc1[N+](=O)[O-])C(C)(C)C ZINC001157830383 1162456853 /nfs/dbraw/zinc/45/68/53/1162456853.db2.gz TZSQUAHKFCEPRF-UHFFFAOYSA-N 1 0 267.333 1.518 20 5 CDBDRO CN(CC[NH3+])CCNc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001170502137 1162664373 /nfs/dbraw/zinc/66/43/73/1162664373.db2.gz NQBSVETURSWBSO-UHFFFAOYSA-N 1 0 277.328 1.379 20 5 CDBDRO O=C(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)N1CCCCC1 ZINC001168966644 1161996038 /nfs/dbraw/zinc/99/60/38/1161996038.db2.gz KNCPTBOGJPZLEN-NEPJUHHUSA-N 1 0 269.345 1.034 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cncn2CC2CC2)C1 ZINC001168998700 1161996675 /nfs/dbraw/zinc/99/66/75/1161996675.db2.gz QBAOVOOPVZGXKS-STQMWFEESA-N 1 0 278.356 1.828 20 5 CDBDRO CC(C)C(=O)NC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169030368 1161998263 /nfs/dbraw/zinc/99/82/63/1161998263.db2.gz ZBWPJDRNORFMAL-JSGCOSHPSA-N 1 0 297.399 1.668 20 5 CDBDRO Cc1nc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)ccc1[N+](=O)[O-] ZINC001155514736 1167205933 /nfs/dbraw/zinc/20/59/33/1167205933.db2.gz LNSZNHTXUPIJOJ-WZRBSPASSA-N 1 0 292.339 1.335 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)n1 ZINC001155623947 1167265640 /nfs/dbraw/zinc/26/56/40/1167265640.db2.gz ULLCKRWXZPHDCA-ZWNOBZJWSA-N 1 0 293.327 1.016 20 5 CDBDRO C[C@@H](NC(=O)[C@H]1C[C@@]12CC[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001574098618 1170878278 /nfs/dbraw/zinc/87/82/78/1170878278.db2.gz GHCBRZSUERTSHG-IXPVHAAZSA-N 1 0 289.335 1.772 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001576158336 1171345254 /nfs/dbraw/zinc/34/52/54/1171345254.db2.gz DLOXBJXSNYSQTH-ZCFIWIBFSA-N 1 0 256.237 1.203 20 5 CDBDRO C[C@@H](SCC[NH3+])C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001576300588 1171383587 /nfs/dbraw/zinc/38/35/87/1171383587.db2.gz KHBMUEHSZKORCY-MRVPVSSYSA-N 1 0 269.326 1.614 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001577119675 1171604425 /nfs/dbraw/zinc/60/44/25/1171604425.db2.gz NQDCZSCSTFPWFO-LLVKDONJSA-N 1 0 293.323 1.411 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001578760986 1171998332 /nfs/dbraw/zinc/99/83/32/1171998332.db2.gz ZCWXTHGJOUBFGN-DTORHVGOSA-N 1 0 278.312 1.104 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC001578874399 1172033030 /nfs/dbraw/zinc/03/30/30/1172033030.db2.gz OSGIEMYPMHNBEW-SKDRFNHKSA-N 1 0 293.323 1.303 20 5 CDBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC001580253148 1172385214 /nfs/dbraw/zinc/38/52/14/1172385214.db2.gz IFCVIYBJCHUTJI-LKFCYVNXSA-N 1 0 290.323 1.130 20 5 CDBDRO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1F ZINC001580251778 1172385344 /nfs/dbraw/zinc/38/53/44/1172385344.db2.gz NOOYOZHIHSCANL-XPTSAGLGSA-N 1 0 293.298 1.687 20 5 CDBDRO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH2+][C@@H]2C[C@@H]21 ZINC001580569610 1172471189 /nfs/dbraw/zinc/47/11/89/1172471189.db2.gz LHEWCXWUIMMCMG-PWSUYJOCSA-N 1 0 295.726 1.363 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C)C2)n1 ZINC000134218105 1175812953 /nfs/dbraw/zinc/81/29/53/1175812953.db2.gz LFODJCJNIVOUCP-QMMMGPOBSA-N 1 0 252.274 1.114 20 5 CDBDRO Cc1nn(C)cc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000157710610 1178207244 /nfs/dbraw/zinc/20/72/44/1178207244.db2.gz SYTYHOCEVUOBQW-CQSZACIVSA-N 1 0 290.323 1.460 20 5 CDBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CC[NH2+]C2(CC2)C1 ZINC001158933407 1163841079 /nfs/dbraw/zinc/84/10/79/1163841079.db2.gz OXVPTXPIWYZTQE-UHFFFAOYSA-N 1 0 268.704 1.585 20 5 CDBDRO COc1cc([N+](=O)[O-])c(NCC[C@@H](C)[NH3+])cc1F ZINC001170890526 1164190572 /nfs/dbraw/zinc/19/05/72/1164190572.db2.gz BEGIYZMQEJGYJR-SSDOTTSWSA-N 1 0 257.265 1.892 20 5 CDBDRO CN(CC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])n1 ZINC001165040939 721932192 /nfs/dbraw/zinc/93/21/92/721932192.db2.gz VLCUOQYQSPUGMT-UHFFFAOYSA-N 1 0 264.329 1.768 20 5 CDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](C)CC1 ZINC000843752134 844100691 /nfs/dbraw/zinc/10/06/91/844100691.db2.gz KMSYSOXYONKECI-UHFFFAOYSA-N 1 0 295.314 1.820 20 5 CDBDRO CC(C)NC(=[NH2+])NCCNc1ccccc1[N+](=O)[O-] ZINC000848982708 844216344 /nfs/dbraw/zinc/21/63/44/844216344.db2.gz CZXUJKWHGJCFIH-UHFFFAOYSA-N 1 0 265.317 1.529 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCC2(CO)CC2)c1 ZINC000843096290 844513920 /nfs/dbraw/zinc/51/39/20/844513920.db2.gz TWTLQEHBQUWUHE-ZDUSSCGKSA-N 1 0 280.324 1.380 20 5 CDBDRO C[C@]([NH3+])(C(=O)N[C@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000876943104 844578864 /nfs/dbraw/zinc/57/88/64/844578864.db2.gz BVINAONIUFCEBC-SWLSCSKDSA-N 1 0 289.335 1.994 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000093097719 842998958 /nfs/dbraw/zinc/99/89/58/842998958.db2.gz ITBOPKXGBUBYOB-GHMZBOCLSA-N 1 0 281.743 1.899 20 5 CDBDRO CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000058233466 843115270 /nfs/dbraw/zinc/11/52/70/843115270.db2.gz JWZWJBPWKZKXTD-SECBINFHSA-N 1 0 283.715 1.682 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(O)CCOCC1 ZINC000873043245 843252761 /nfs/dbraw/zinc/25/27/61/843252761.db2.gz VTPHTHSWVFIXGS-UHFFFAOYSA-N 1 0 294.351 1.843 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935977182 843318153 /nfs/dbraw/zinc/31/81/53/843318153.db2.gz RBYCVVJKSPKSLU-GDLCADMTSA-N 1 0 291.351 1.765 20 5 CDBDRO CO[C@H]1C[C@@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886229992 843328632 /nfs/dbraw/zinc/32/86/32/843328632.db2.gz ZAVDMRHAEAVLCA-MNOVXSKESA-N 1 0 265.313 1.893 20 5 CDBDRO Nc1ccc(-c2noc(C[C@H]3CCC[NH2+]3)n2)cc1[N+](=O)[O-] ZINC000843169396 843414316 /nfs/dbraw/zinc/41/43/16/843414316.db2.gz FONULLOOPXZYOS-SECBINFHSA-N 1 0 289.295 1.522 20 5 CDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000843503631 843747260 /nfs/dbraw/zinc/74/72/60/843747260.db2.gz LOZVMYWHKXZIMT-HTQZYQBOSA-N 1 0 296.283 1.359 20 5 CDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424026707 843821014 /nfs/dbraw/zinc/82/10/14/843821014.db2.gz LEZDQXDTFNIMTB-AWEZNQCLSA-N 1 0 293.298 1.702 20 5 CDBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834906841 843892435 /nfs/dbraw/zinc/89/24/35/843892435.db2.gz HROPHKRACOJUBO-INTQDDNPSA-N 1 0 292.339 1.482 20 5 CDBDRO CN(Cc1cccnc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000886005685 843897409 /nfs/dbraw/zinc/89/74/09/843897409.db2.gz HXJBABWGMKPVPL-ZDUSSCGKSA-N 1 0 276.340 1.658 20 5 CDBDRO CN(Cc1cccnc1[N+](=O)[O-])C[C@H]1CCC[N@H+](C)C1 ZINC000886018548 844001493 /nfs/dbraw/zinc/00/14/93/844001493.db2.gz BZZOXWXOQLRMMC-LBPRGKRZSA-N 1 0 278.356 1.763 20 5 CDBDRO CCOC1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000060445346 844671180 /nfs/dbraw/zinc/67/11/80/844671180.db2.gz ZJZRDEPVZNZRHZ-UHFFFAOYSA-N 1 0 254.290 1.250 20 5 CDBDRO CC(C)[N@H+](C)CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000819905542 844761939 /nfs/dbraw/zinc/76/19/39/844761939.db2.gz PPUMVXWLKWDSOM-UHFFFAOYSA-N 1 0 266.301 1.456 20 5 CDBDRO C[C@@H]([NH2+]CC1(CO)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788608950 844774525 /nfs/dbraw/zinc/77/45/25/844774525.db2.gz GRWPBJRYIHLYNC-SECBINFHSA-N 1 0 265.313 1.600 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C)[C@@H](C)C1 ZINC000797518348 844834280 /nfs/dbraw/zinc/83/42/80/844834280.db2.gz CFAOFSXNLUCWMP-NSHDSACASA-N 1 0 279.340 1.739 20 5 CDBDRO C[C@@H]1CCC[C@](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])([NH+](C)C)C1 ZINC000839570596 845011517 /nfs/dbraw/zinc/01/15/17/845011517.db2.gz GLRVLVQCGOUDTA-BYNQJWBRSA-N 1 0 283.372 1.278 20 5 CDBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000825670868 845035967 /nfs/dbraw/zinc/03/59/67/845035967.db2.gz YQLIFHAFSGDKSY-GFCCVEGCSA-N 1 0 285.388 1.811 20 5 CDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000827739924 845048792 /nfs/dbraw/zinc/04/87/92/845048792.db2.gz SZULRCQSSUQYHJ-QWRGUYRKSA-N 1 0 271.361 1.373 20 5 CDBDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccco1 ZINC000839596184 845062182 /nfs/dbraw/zinc/06/21/82/845062182.db2.gz SXJBCQLCYOPOHF-UTUOFQBUSA-N 1 0 295.339 1.444 20 5 CDBDRO CC(C)C[C@H](CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843060302 845104970 /nfs/dbraw/zinc/10/49/70/845104970.db2.gz TUVPGOHBLYGLTM-OCCSQVGLSA-N 1 0 282.340 1.625 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(CCC[NH3+])n1 ZINC000843186631 845202923 /nfs/dbraw/zinc/20/29/23/845202923.db2.gz ABKQVRKGLZYWSK-UHFFFAOYSA-N 1 0 262.269 1.845 20 5 CDBDRO Nc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000853231934 845255347 /nfs/dbraw/zinc/25/53/47/845255347.db2.gz PABGVKUNKAUCSZ-JTQLQIEISA-N 1 0 262.313 1.826 20 5 CDBDRO CCCNC(=[NH2+])NCCOc1ccc([N+](=O)[O-])cc1 ZINC000849007244 845271409 /nfs/dbraw/zinc/27/14/09/845271409.db2.gz FDEDRPWUQNEANE-UHFFFAOYSA-N 1 0 266.301 1.498 20 5 CDBDRO COc1ccc(NC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)cc1[N+](=O)[O-] ZINC000127626284 845296028 /nfs/dbraw/zinc/29/60/28/845296028.db2.gz MEPZGCBYQMMPFE-GXSJLCMTSA-N 1 0 293.323 1.930 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])CCCC1 ZINC000852905963 845383970 /nfs/dbraw/zinc/38/39/70/845383970.db2.gz JRQWKKYSOAONIO-UHFFFAOYSA-N 1 0 278.312 1.178 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCC2(O)CCC2)c1 ZINC000819298691 845443077 /nfs/dbraw/zinc/44/30/77/845443077.db2.gz LSWZSNGDQNOXKA-CYBMUJFWSA-N 1 0 280.324 1.523 20 5 CDBDRO C[C@@H](C[N+](=O)[O-])OC(=O)c1cccc(C[NH+](C)C)c1 ZINC000835467926 845491557 /nfs/dbraw/zinc/49/15/57/845491557.db2.gz VHEVVSZIFMFALE-JTQLQIEISA-N 1 0 266.297 1.570 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H](CCCO)C1 ZINC000886239401 845517146 /nfs/dbraw/zinc/51/71/46/845517146.db2.gz WDBUYOXKXXDOBQ-LLVKDONJSA-N 1 0 265.313 1.584 20 5 CDBDRO CC(C)(C)C[N@H+](CCO)Cc1cccnc1[N+](=O)[O-] ZINC000886001816 845606129 /nfs/dbraw/zinc/60/61/29/845606129.db2.gz KKGUAUWMOAMOOT-UHFFFAOYSA-N 1 0 267.329 1.830 20 5 CDBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC000870977774 845722363 /nfs/dbraw/zinc/72/23/63/845722363.db2.gz VEOPGUUGDCIKLT-LMKPVCQUSA-N 1 0 289.335 1.855 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CC([C@H]3CCOC3)C2)cc1 ZINC000795550619 845740042 /nfs/dbraw/zinc/74/00/42/845740042.db2.gz HNTYOTLKPBDLGO-WFASDCNBSA-N 1 0 292.335 1.597 20 5 CDBDRO Cn1nccc1[C@H]1CCCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000800859121 845741619 /nfs/dbraw/zinc/74/16/19/845741619.db2.gz GYWZAMIPKBQOKI-NSHDSACASA-N 1 0 290.327 1.362 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@H](C)[NH3+] ZINC000863565963 845848619 /nfs/dbraw/zinc/84/86/19/845848619.db2.gz YWPLINZFYSKYIA-JTQLQIEISA-N 1 0 280.328 1.121 20 5 CDBDRO C[N@H+](C[C@H](O)COc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000312839308 845863067 /nfs/dbraw/zinc/86/30/67/845863067.db2.gz FALPCMAFMUNCLV-NSHDSACASA-N 1 0 284.287 1.568 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](CF)C1 ZINC000880238461 846017055 /nfs/dbraw/zinc/01/70/55/846017055.db2.gz HIHJFASBZKZUSQ-LLVKDONJSA-N 1 0 270.308 1.781 20 5 CDBDRO CC(C)(CCC(=O)OCCCn1ccnc1)[N+](=O)[O-] ZINC000837925760 846034819 /nfs/dbraw/zinc/03/48/19/846034819.db2.gz UMGPVVCVTZVISI-UHFFFAOYSA-N 1 0 269.301 1.652 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000782613413 846048119 /nfs/dbraw/zinc/04/81/19/846048119.db2.gz ICBYBJQRSDHZCQ-SMDDNHRTSA-N 1 0 278.308 1.288 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000311751526 846059180 /nfs/dbraw/zinc/05/91/80/846059180.db2.gz ZEWKKCRUQOAPMS-NSHDSACASA-N 1 0 263.297 1.969 20 5 CDBDRO CCOC1CC(O)(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000873116025 846164349 /nfs/dbraw/zinc/16/43/49/846164349.db2.gz ZITLVLPNYVEVHH-UHFFFAOYSA-N 1 0 294.351 1.923 20 5 CDBDRO O=C(N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034645637 846206490 /nfs/dbraw/zinc/20/64/90/846206490.db2.gz UNWXWVTZBLOPMT-AAVRWANBSA-N 1 0 295.383 1.469 20 5 CDBDRO CC(C)=CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001005380032 846219009 /nfs/dbraw/zinc/21/90/09/846219009.db2.gz AGSRFPWNXXQYFK-ZIAGYGMSSA-N 1 0 295.383 1.541 20 5 CDBDRO O=[N+]([O-])CC[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000929311948 846231694 /nfs/dbraw/zinc/23/16/94/846231694.db2.gz WKFOBOJCOLBFCD-STQMWFEESA-N 1 0 261.325 1.331 20 5 CDBDRO COc1ccc(NC(=O)CC[NH2+]CC2CC2)cc1[N+](=O)[O-] ZINC000876874799 846444537 /nfs/dbraw/zinc/44/45/37/846444537.db2.gz LFMSEJLFKMWHFI-UHFFFAOYSA-N 1 0 293.323 1.932 20 5 CDBDRO CC[C@H](CO)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929985566 846457922 /nfs/dbraw/zinc/45/79/22/846457922.db2.gz CAAGVDWZXOTJPA-GHMZBOCLSA-N 1 0 280.328 1.247 20 5 CDBDRO Cc1c(Cc2noc(CC[NH3+])n2)cccc1[N+](=O)[O-] ZINC000843192760 846466245 /nfs/dbraw/zinc/46/62/45/846466245.db2.gz YWPKWPMJHFPHHD-UHFFFAOYSA-N 1 0 262.269 1.378 20 5 CDBDRO CCc1nn(C)c(NCC[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000091576003 846588717 /nfs/dbraw/zinc/58/87/17/846588717.db2.gz UZOSDECNBLTDSG-SECBINFHSA-N 1 0 267.333 1.302 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@]3(CCOC3)C2)cc1 ZINC000776590389 846674845 /nfs/dbraw/zinc/67/48/45/846674845.db2.gz DFRRDJSHYHWWDV-GJZGRUSLSA-N 1 0 292.335 1.741 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000235360777 846743600 /nfs/dbraw/zinc/74/36/00/846743600.db2.gz YKJZTHZMOOVXOF-GMSGAONNSA-N 1 0 283.715 1.667 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2cc[nH]n2)c1 ZINC000818957662 846855114 /nfs/dbraw/zinc/85/51/14/846855114.db2.gz YDOOOKCTCQFMQR-GFCCVEGCSA-N 1 0 262.269 1.141 20 5 CDBDRO C[C@@H](N[C@H]1CC[NH2+]C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817945118 846869598 /nfs/dbraw/zinc/86/95/98/846869598.db2.gz UNJSCWVQAZZLCI-SCZZXKLOSA-N 1 0 250.302 1.190 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000886169965 846946801 /nfs/dbraw/zinc/94/68/01/846946801.db2.gz MMDKIZSVHZDHRN-CMPLNLGQSA-N 1 0 265.313 1.631 20 5 CDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]CC2CCC2)CC1 ZINC000997772104 846973473 /nfs/dbraw/zinc/97/34/73/846973473.db2.gz KYSIKUUNYLHLEE-ZIAGYGMSSA-N 1 0 295.383 1.280 20 5 CDBDRO CC1(C)CC(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001020139501 847050761 /nfs/dbraw/zinc/05/07/61/847050761.db2.gz BMMJYLKWLMDJDQ-FDYHWXHSSA-N 1 0 295.383 1.325 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000857763969 847053044 /nfs/dbraw/zinc/05/30/44/847053044.db2.gz CNYQMYWBBJBRAA-VIFPVBQESA-N 1 0 296.302 1.937 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886253602 847187597 /nfs/dbraw/zinc/18/75/97/847187597.db2.gz BFSZCIHEOMCKEM-SKJZOMOGSA-N 1 0 292.335 1.472 20 5 CDBDRO CC1(C)OCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000232799773 847392906 /nfs/dbraw/zinc/39/29/06/847392906.db2.gz LUPVPLZJTCKTRR-UHFFFAOYSA-N 1 0 280.324 1.878 20 5 CDBDRO COC[C@H](C)NC(=[NH2+])NCCOc1ccc([N+](=O)[O-])cc1 ZINC000849007241 847407121 /nfs/dbraw/zinc/40/71/21/847407121.db2.gz DWIJCPKRRFBPKW-JTQLQIEISA-N 1 0 296.327 1.122 20 5 CDBDRO Cc1nn(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000842619598 847432246 /nfs/dbraw/zinc/43/22/46/847432246.db2.gz WMYMCRGPKITDRD-STQMWFEESA-N 1 0 294.355 1.948 20 5 CDBDRO CCC1([NH+]2CCC2)CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000884719025 847965591 /nfs/dbraw/zinc/96/55/91/847965591.db2.gz WSPGOVLZCDQXQE-UHFFFAOYSA-N 1 0 291.355 1.840 20 5 CDBDRO C[NH+](C)CCCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804317658 847984710 /nfs/dbraw/zinc/98/47/10/847984710.db2.gz LEQIMPBDJPZDCD-UHFFFAOYSA-N 1 0 268.273 1.867 20 5 CDBDRO C[C@@H]1CN(c2ccc(N)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000829020033 848016711 /nfs/dbraw/zinc/01/67/11/848016711.db2.gz UXIBOUDLPWVRNQ-PHIMTYICSA-N 1 0 294.355 1.068 20 5 CDBDRO C[C@@H](O)CC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173219361 912300290 /nfs/dbraw/zinc/30/02/90/912300290.db2.gz BNOZWHCWDCZOPV-GHMZBOCLSA-N 1 0 252.314 1.886 20 5 CDBDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173218763 912301331 /nfs/dbraw/zinc/30/13/31/912301331.db2.gz LZKPDLQVKAQDAO-BXUZGUMPSA-N 1 0 291.351 1.736 20 5 CDBDRO CC[C@]([NH3+])(CO)N[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220040 912305661 /nfs/dbraw/zinc/30/56/61/912305661.db2.gz SDEORIBELUIMQA-ZWNOBZJWSA-N 1 0 267.329 1.173 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)CF ZINC001173228908 912323546 /nfs/dbraw/zinc/32/35/46/912323546.db2.gz LHEFRTJONCDLJB-BXKDBHETSA-N 1 0 256.277 1.446 20 5 CDBDRO CN(CC1CC[NH2+]CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000094021946 912330683 /nfs/dbraw/zinc/33/06/83/912330683.db2.gz YRKOGRVHFIBCQR-UHFFFAOYSA-N 1 0 291.351 1.595 20 5 CDBDRO CN(C[C@@H]1CC1(C)C)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001167090136 894408331 /nfs/dbraw/zinc/40/83/31/894408331.db2.gz LIMIQTREOAICHB-JTQLQIEISA-N 1 0 291.355 1.554 20 5 CDBDRO C[NH2+]Cc1c(C)nn(-c2cc(N)c([N+](=O)[O-])cn2)c1C ZINC001167098835 894497012 /nfs/dbraw/zinc/49/70/12/894497012.db2.gz FTIDNLLOTOUGER-UHFFFAOYSA-N 1 0 276.300 1.094 20 5 CDBDRO O=C(C=C1CCC1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001125565600 896621127 /nfs/dbraw/zinc/62/11/27/896621127.db2.gz UYQUIIDBNYLAAJ-UHFFFAOYSA-N 1 0 289.335 1.911 20 5 CDBDRO C[N@@H+]1CCC[C@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225666999 903643745 /nfs/dbraw/zinc/64/37/45/903643745.db2.gz NBHPLQJKZKLMPH-QMMMGPOBSA-N 1 0 253.258 1.168 20 5 CDBDRO CC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CCN(C)C2)c1 ZINC001225801299 904264872 /nfs/dbraw/zinc/26/48/72/904264872.db2.gz ATBRUBHAAGJOOW-NSHDSACASA-N 1 0 264.281 1.880 20 5 CDBDRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000714025469 909671318 /nfs/dbraw/zinc/67/13/18/909671318.db2.gz XIBDKAPENULFHC-NXEZZACHSA-N 1 0 281.287 1.590 20 5 CDBDRO [NH3+]Cc1nccnc1Nc1cnc(F)c([N+](=O)[O-])c1 ZINC001171450154 910719470 /nfs/dbraw/zinc/71/94/70/910719470.db2.gz VCLWTTPJGOCNRH-UHFFFAOYSA-N 1 0 264.220 1.121 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(C)(CO)C1 ZINC001254553089 936407452 /nfs/dbraw/zinc/40/74/52/936407452.db2.gz RWYRPEXYYNYADD-NSHDSACASA-N 1 0 264.325 1.840 20 5 CDBDRO C[NH2+][C@@H](C)CCNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC001117967063 922767076 /nfs/dbraw/zinc/76/70/76/922767076.db2.gz RAYDVIWJSCLDKM-JTQLQIEISA-N 1 0 294.355 1.700 20 5 CDBDRO O=[N+]([O-])c1ccnc(NCC[C@@H]2CCOC23C[NH2+]C3)c1 ZINC001155471716 926855322 /nfs/dbraw/zinc/85/53/22/926855322.db2.gz RYBWBKXJYBVPJQ-SNVBAGLBSA-N 1 0 278.312 1.170 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]([NH3+])CC(F)F)CC2 ZINC000843495260 937156522 /nfs/dbraw/zinc/15/65/22/937156522.db2.gz PYPBZZFHWVKGRI-VIFPVBQESA-N 1 0 299.277 1.775 20 5 CDBDRO Cc1cc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])c(N)c([N+](=O)[O-])c1 ZINC000843506056 937157090 /nfs/dbraw/zinc/15/70/90/937157090.db2.gz HWVKIEPVIQMUBB-IUCAKERBSA-N 1 0 280.328 1.341 20 5 CDBDRO Cc1cc(C(=O)NCCCCCC[NH3+])c(N)c([N+](=O)[O-])c1 ZINC000843509710 937157726 /nfs/dbraw/zinc/15/77/26/937157726.db2.gz DGZNCLWSRYLHRI-UHFFFAOYSA-N 1 0 294.355 1.734 20 5 CDBDRO Cc1cnc(-n2cc3c(n2)CC[C@H]([NH3+])C3)cc1[N+](=O)[O-] ZINC001168818871 927490594 /nfs/dbraw/zinc/49/05/94/927490594.db2.gz ATDAZZZPHCQDGZ-JTQLQIEISA-N 1 0 273.296 1.300 20 5 CDBDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168978107 927566683 /nfs/dbraw/zinc/56/66/83/927566683.db2.gz OKJBWVILSCMJGM-BFHYXJOUSA-N 1 0 283.372 1.280 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2ccc3c(c2)OCO3)C1 ZINC001168959971 927579135 /nfs/dbraw/zinc/57/91/35/927579135.db2.gz YJWJQLGORPJTLA-OLZOCXBDSA-N 1 0 292.335 1.993 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCN2CCCCO2)C1 ZINC001168964807 927587916 /nfs/dbraw/zinc/58/79/16/927587916.db2.gz WJHRAVCAAVSQHS-RYUDHWBXSA-N 1 0 257.334 1.049 20 5 CDBDRO O=C(C1CC1)N1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168966069 927588981 /nfs/dbraw/zinc/58/89/81/927588981.db2.gz GAWVUICMVJDGDO-BXUZGUMPSA-N 1 0 295.383 1.422 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(O)c2)C1 ZINC001168965944 927589355 /nfs/dbraw/zinc/58/93/55/927589355.db2.gz DTDXSWCZBYKNSX-VXGBXAGGSA-N 1 0 250.298 1.927 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc3nonc3c2)C1 ZINC001168965655 927590004 /nfs/dbraw/zinc/59/00/04/927590004.db2.gz BORJAVKQEZQCKK-QWRGUYRKSA-N 1 0 276.296 1.758 20 5 CDBDRO Cc1ncc(CO)c(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1O ZINC001168973460 927596830 /nfs/dbraw/zinc/59/68/30/927596830.db2.gz OTRYQGIZXHUXIV-ZYHUDNBSSA-N 1 0 295.339 1.123 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(c3cnccn3)C2)C1 ZINC001168996602 927602333 /nfs/dbraw/zinc/60/23/33/927602333.db2.gz WLGVYYYZNLNBTH-FRRDWIJNSA-N 1 0 291.355 1.090 20 5 CDBDRO Cc1ncncc1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169001475 927606419 /nfs/dbraw/zinc/60/64/19/927606419.db2.gz GICCJTNPHROGPS-CMPLNLGQSA-N 1 0 250.302 1.320 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(CCOC3)C2)C1 ZINC001169011512 927616664 /nfs/dbraw/zinc/61/66/64/927616664.db2.gz KMRUYXSOIKUPIW-FRRDWIJNSA-N 1 0 254.330 1.544 20 5 CDBDRO C[N@@H+]1C[C@@H]2CCCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)[C@@H]2C1 ZINC001169034506 927641642 /nfs/dbraw/zinc/64/16/42/927641642.db2.gz GRBZLPFJZBBCIF-IGQOVBAYSA-N 1 0 267.373 1.458 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](CCO)C2)C1 ZINC001169034984 927642258 /nfs/dbraw/zinc/64/22/58/927642258.db2.gz JLZVXPFOTAZVDK-YNEHKIRRSA-N 1 0 256.346 1.526 20 5 CDBDRO CC(=O)C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169034269 927642446 /nfs/dbraw/zinc/64/24/46/927642446.db2.gz GLMBILXUNLTYAV-WCQYABFASA-N 1 0 254.330 1.733 20 5 CDBDRO CCN(CC)[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169036492 927645269 /nfs/dbraw/zinc/64/52/69/927645269.db2.gz GBSHLYWVUQCONX-HZSPNIEDSA-N 1 0 269.389 1.848 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCCCC23COC3)C1 ZINC001169037256 927647919 /nfs/dbraw/zinc/64/79/19/927647919.db2.gz RLWNXAVLEYRTJR-VXGBXAGGSA-N 1 0 254.330 1.687 20 5 CDBDRO CCC[N@H+](CC(=O)OCC)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039707 927649404 /nfs/dbraw/zinc/64/94/04/927649404.db2.gz SNHFKXJKIKBRCU-RYUDHWBXSA-N 1 0 272.345 1.707 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CC3(C2)C[C@@H](F)CS3)C1 ZINC001169038855 927650650 /nfs/dbraw/zinc/65/06/50/927650650.db2.gz LAJQNONPDSRIGO-MXWKQRLJSA-N 1 0 274.361 1.961 20 5 CDBDRO CC[NH+](CC)C[C@@H]1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCO1 ZINC001169052473 927670189 /nfs/dbraw/zinc/67/01/89/927670189.db2.gz GEUQKXNBLCNODM-RRFJBIMHSA-N 1 0 299.415 1.474 20 5 CDBDRO CCN1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169056309 927672049 /nfs/dbraw/zinc/67/20/49/927672049.db2.gz RMRREIQJSBPDFQ-RNJOBUHISA-N 1 0 253.346 1.210 20 5 CDBDRO COC(=O)C[C@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169053877 927672912 /nfs/dbraw/zinc/67/29/12/927672912.db2.gz JXVKEKUJXAPIDC-IJLUTSLNSA-N 1 0 270.329 1.317 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C1 ZINC001169057497 927674566 /nfs/dbraw/zinc/67/45/66/927674566.db2.gz WATRSLXHYZEEAL-QPSCCSFWSA-N 1 0 299.390 1.940 20 5 CDBDRO Cc1cc(Cl)nc(-n2ccc(CC[NH3+])n2)c1[N+](=O)[O-] ZINC001156898123 929047407 /nfs/dbraw/zinc/04/74/07/929047407.db2.gz FSEZPFWYYVPUTF-UHFFFAOYSA-N 1 0 281.703 1.639 20 5 CDBDRO O=[N+]([O-])c1c(NC[C@H]2COCC[NH2+]2)ccc2cnccc21 ZINC001170045178 929139584 /nfs/dbraw/zinc/13/95/84/929139584.db2.gz RQGPFTVFXHPCBS-NSHDSACASA-N 1 0 288.307 1.543 20 5 CDBDRO COc1cc(C)nc(N[C@H](C)[C@@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001159500201 930315688 /nfs/dbraw/zinc/31/56/88/930315688.db2.gz WLWPPDFQAHGUIU-KOLCDFICSA-N 1 0 296.327 1.096 20 5 CDBDRO COCCC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001154021824 937492961 /nfs/dbraw/zinc/49/29/61/937492961.db2.gz URGQGFIIFHBLTB-UHFFFAOYSA-N 1 0 295.339 1.227 20 5 CDBDRO CO[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001118091484 937589724 /nfs/dbraw/zinc/58/97/24/937589724.db2.gz XDDUNWBMVKAYIX-IACUBPJLSA-N 1 0 280.324 1.785 20 5 CDBDRO C[C@H]1CC[NH2+][C@H](C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001118060303 937586758 /nfs/dbraw/zinc/58/67/58/937586758.db2.gz YHVRLYXPCADKSY-HZMBPMFUSA-N 1 0 289.335 1.825 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](Nc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C1 ZINC001154986062 937616959 /nfs/dbraw/zinc/61/69/59/937616959.db2.gz QVROCZZWVASYAL-JGVFFNPUSA-N 1 0 286.719 1.563 20 5 CDBDRO O=[N+]([O-])c1cnc(-n2cncc2C2CC[NH2+]CC2)c(F)c1 ZINC001155057193 937629175 /nfs/dbraw/zinc/62/91/75/937629175.db2.gz AUKCFPJFMRXVEP-UHFFFAOYSA-N 1 0 291.286 1.782 20 5 CDBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CC[NH2+]CC1 ZINC000036431371 933758449 /nfs/dbraw/zinc/75/84/49/933758449.db2.gz KQURLSPQVKCDAA-UHFFFAOYSA-N 1 0 259.668 1.797 20 5 CDBDRO CC[NH+]1CCC(Nc2c([N+](=O)[O-])cnn2C)CC1 ZINC001119933402 937765598 /nfs/dbraw/zinc/76/55/98/937765598.db2.gz FHCDFOQUAPRJPG-UHFFFAOYSA-N 1 0 253.306 1.225 20 5 CDBDRO CCCCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001123666686 936197949 /nfs/dbraw/zinc/19/79/49/936197949.db2.gz QMDIQOYAFZWODI-UHFFFAOYSA-N 1 0 279.340 1.991 20 5 CDBDRO CSCC[C@H]([NH3+])C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001122598892 937945074 /nfs/dbraw/zinc/94/50/74/937945074.db2.gz CVHRJQRBHJJTMZ-NSHDSACASA-N 1 0 283.353 1.922 20 5 CDBDRO CC[C@H](C)Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001157236864 938468729 /nfs/dbraw/zinc/46/87/29/938468729.db2.gz APNBPSGMMAOFLO-ZETCQYMHSA-N 1 0 251.290 1.282 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(-n2ccc3c2CC[NH2+]C3)n1 ZINC001157445333 938492716 /nfs/dbraw/zinc/49/27/16/938492716.db2.gz ZZKNPDASFUNKEO-UHFFFAOYSA-N 1 0 289.295 1.138 20 5 CDBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3C[NH2+][C@@H]3C2)c(Cl)c1 ZINC001157619635 938521174 /nfs/dbraw/zinc/52/11/74/938521174.db2.gz CPQSDZFRLOGQJG-IMTBSYHQSA-N 1 0 254.677 1.051 20 5 CDBDRO Cc1nc(N2CC[NH2+][C@H](c3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001157766960 938542751 /nfs/dbraw/zinc/54/27/51/938542751.db2.gz QXOJOOUXEDZVKV-ZDUSSCGKSA-N 1 0 299.334 1.844 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[N@@H+]2CC[C@H]2C1 ZINC001158425915 938623242 /nfs/dbraw/zinc/62/32/42/938623242.db2.gz UIKLCQFNHWDYQR-VIFPVBQESA-N 1 0 268.704 1.538 20 5 CDBDRO COc1cc(C)nc(NCC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC001158627447 938643458 /nfs/dbraw/zinc/64/34/58/938643458.db2.gz KMRFEDFVUAWAOA-SNVBAGLBSA-N 1 0 280.328 1.861 20 5 CDBDRO [NH3+]Cc1ccc2nnn(-c3cc([N+](=O)[O-])ccn3)c2c1 ZINC001159026613 938692963 /nfs/dbraw/zinc/69/29/63/938692963.db2.gz MEQCQIBIPVFOOL-UHFFFAOYSA-N 1 0 270.252 1.182 20 5 CDBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)[C@@H]1C[NH2+]CCO1 ZINC001159488501 938731850 /nfs/dbraw/zinc/73/18/50/938731850.db2.gz DXCLJCRQNCVQPE-XCBNKYQSSA-N 1 0 286.719 1.432 20 5 CDBDRO O=[N+]([O-])c1cccc2ccc(N[C@@H]3C[NH2+]C[C@H]3CO)nc21 ZINC001159674730 938744364 /nfs/dbraw/zinc/74/43/64/938744364.db2.gz AWJUYZWWNFVMLM-WDEREUQCSA-N 1 0 288.307 1.135 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1ncc([N+](=O)[O-])cc1Cl ZINC001159739841 938748096 /nfs/dbraw/zinc/74/80/96/938748096.db2.gz QIFAJKLQHVSLNK-SECBINFHSA-N 1 0 260.681 1.112 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NCC[C@@H](C)[NH3+])n1 ZINC001159774835 938751689 /nfs/dbraw/zinc/75/16/89/938751689.db2.gz UXEJCILDWZMLAS-RXMQYKEDSA-N 1 0 259.697 1.496 20 5 CDBDRO COc1cc(NCCCC[NH+](C)C)cnc1[N+](=O)[O-] ZINC001161730558 938927431 /nfs/dbraw/zinc/92/74/31/938927431.db2.gz JEOWOQBSDWRZCC-UHFFFAOYSA-N 1 0 268.317 1.752 20 5 CDBDRO CC1(C)C[NH2+]C[C@H](CNc2ncc(F)cc2[N+](=O)[O-])O1 ZINC001161954107 938947935 /nfs/dbraw/zinc/94/79/35/938947935.db2.gz NCQWMYXXAFKPPA-SECBINFHSA-N 1 0 284.291 1.308 20 5 CDBDRO Cc1c(F)cnc(N[C@@H](C)CN2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001162093326 938955471 /nfs/dbraw/zinc/95/54/71/938955471.db2.gz HAOBHMALUMUJFP-VIFPVBQESA-N 1 0 297.334 1.143 20 5 CDBDRO C[N@@H+]1CCC[C@](C)(Nc2cc([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001162331135 939025575 /nfs/dbraw/zinc/02/55/75/939025575.db2.gz LQBXEDXAFAHXOX-LBPRGKRZSA-N 1 0 266.301 1.124 20 5 CDBDRO Nc1ccnc(N[C@@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001162395063 939043937 /nfs/dbraw/zinc/04/39/37/939043937.db2.gz BRPNOIZFVGGREL-JGVFFNPUSA-N 1 0 251.290 1.254 20 5 CDBDRO Cn1cc(NC[C@]2(F)CCCC[NH2+]C2)cc([N+](=O)[O-])c1=O ZINC001162581151 939093006 /nfs/dbraw/zinc/09/30/06/939093006.db2.gz ZOCGQNXTNOOBQO-ZDUSSCGKSA-N 1 0 298.318 1.187 20 5 CDBDRO CCOc1cnc(N[C@@H]2CC[NH2+][C@@H]2C)c([N+](=O)[O-])c1 ZINC001162670650 939111585 /nfs/dbraw/zinc/11/15/85/939111585.db2.gz VPGCHOOEVGQJPO-PSASIEDQSA-N 1 0 266.301 1.551 20 5 CDBDRO COc1nc(SC)nc(N[C@@H]2CC[NH2+][C@@H]2C)c1[N+](=O)[O-] ZINC001162670425 939111699 /nfs/dbraw/zinc/11/16/99/939111699.db2.gz LAWJJQULOWHCFU-RNFRBKRXSA-N 1 0 299.356 1.278 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2ccc(N[C@@H]3C=C[C@@H]4C[NH2+]C[C@@H]34)nc21 ZINC001162796028 939142842 /nfs/dbraw/zinc/14/28/42/939142842.db2.gz BTROISIIGLMRGQ-OPRDCNLKSA-N 1 0 285.307 1.657 20 5 CDBDRO Cc1cc(N[C@H]2COCCC23C[NH2+]C3)ncc1[N+](=O)[O-] ZINC001163074534 939191379 /nfs/dbraw/zinc/19/13/79/939191379.db2.gz UMQWNVQYRCKGGS-NSHDSACASA-N 1 0 278.312 1.089 20 5 CDBDRO Cc1c(F)cnc(NC[C@]23C[NH2+]C[C@H]2COC3)c1[N+](=O)[O-] ZINC001163147585 939213370 /nfs/dbraw/zinc/21/33/70/939213370.db2.gz BHMMOBZNVGKGSM-ZANVPECISA-N 1 0 296.302 1.085 20 5 CDBDRO CC(C)N(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC001163187055 939221287 /nfs/dbraw/zinc/22/12/87/939221287.db2.gz SFQMBZSWMDMTRM-UHFFFAOYSA-N 1 0 297.315 1.850 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ncc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163193417 939223452 /nfs/dbraw/zinc/22/34/52/939223452.db2.gz SJVHXXFCIJFZFK-RDDDGLTNSA-N 1 0 284.703 1.186 20 5 CDBDRO COc1cc(C)c([N+](=O)[O-])cc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163203053 939224692 /nfs/dbraw/zinc/22/46/92/939224692.db2.gz QCUWDFIGBJTDMS-QMTHXVAHSA-N 1 0 293.323 1.455 20 5 CDBDRO O=[N+]([O-])c1c(F)cc(F)cc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001163342683 939251639 /nfs/dbraw/zinc/25/16/39/939251639.db2.gz VAKXZZGYRIIDRH-QRTLGDNMSA-N 1 0 285.250 1.414 20 5 CDBDRO Cc1nnc(C[NH3+])n1-c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001163346016 939252104 /nfs/dbraw/zinc/25/21/04/939252104.db2.gz JIBNQCANBJFQEZ-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1cccc2ncc([N+](=O)[O-])n21 ZINC001163786797 939331867 /nfs/dbraw/zinc/33/18/67/939331867.db2.gz ULOQXWFMHIYIJR-VIFPVBQESA-N 1 0 263.301 1.605 20 5 CDBDRO C[NH+](C)C1CN(c2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001163933295 939357033 /nfs/dbraw/zinc/35/70/33/939357033.db2.gz DITOMAAJJVMMAA-UHFFFAOYSA-N 1 0 272.308 1.893 20 5 CDBDRO [NH3+][C@H]1CCN(c2nc3cc([N+](=O)[O-])ccc3nc2Cl)C1 ZINC001164280094 939445326 /nfs/dbraw/zinc/44/53/26/939445326.db2.gz XKXNQTWWFYGRPU-ZETCQYMHSA-N 1 0 293.714 1.729 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(-n2cnc3c2C[NH2+]CC3)nc1Cl ZINC001164313382 939452392 /nfs/dbraw/zinc/45/23/92/939452392.db2.gz HLWBTFWURVRVDW-UHFFFAOYSA-N 1 0 293.714 1.783 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H](C[NH3+])CC[C@H]2C)n1 ZINC001164467730 939476209 /nfs/dbraw/zinc/47/62/09/939476209.db2.gz LXDHSMIVOPBAIR-PSASIEDQSA-N 1 0 295.343 1.265 20 5 CDBDRO COc1cc(C)nc(N2CCC[C@@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC001165072876 939506679 /nfs/dbraw/zinc/50/66/79/939506679.db2.gz PKTCDQATTKFCCT-LLVKDONJSA-N 1 0 294.355 1.837 20 5 CDBDRO COc1cc(C)nc(N2CC[C@H]3C[C@@]3([NH3+])C2)c1[N+](=O)[O-] ZINC001165328103 939545859 /nfs/dbraw/zinc/54/58/59/939545859.db2.gz RTGOXSQYDHZYBX-TVQRCGJNSA-N 1 0 278.312 1.234 20 5 CDBDRO [NH3+][C@H]1[C@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C[C@@H]12 ZINC001165383419 939554013 /nfs/dbraw/zinc/55/40/13/939554013.db2.gz XEMOADATBSWHTQ-UAJQPJLXSA-N 1 0 289.122 1.690 20 5 CDBDRO [NH3+][C@H]1[C@H]2CN(c3ncc([N+](=O)[O-])c4ccccc43)C[C@@H]12 ZINC001165383256 939554017 /nfs/dbraw/zinc/55/40/17/939554017.db2.gz TWMCQAMICNBEJE-PTEHBNRSSA-N 1 0 270.292 1.536 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)n1 ZINC001165429925 939563627 /nfs/dbraw/zinc/56/36/27/939563627.db2.gz KWKWXOYEVSWENB-VHSXEESVSA-N 1 0 295.318 1.206 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)n1 ZINC001165429923 939563697 /nfs/dbraw/zinc/56/36/97/939563697.db2.gz KWKWXOYEVSWENB-UWVGGRQHSA-N 1 0 295.318 1.206 20 5 CDBDRO O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCC[NH+]1CCCCC1)C2 ZINC001206709445 939577690 /nfs/dbraw/zinc/57/76/90/939577690.db2.gz LIDYSFFHOKKGIQ-NSHDSACASA-N 1 0 296.327 1.055 20 5 CDBDRO C[NH2+]Cc1cccc(Nc2cc([N+](=O)[O-])cc[n+]2[O-])c1 ZINC001167032960 939673936 /nfs/dbraw/zinc/67/39/36/939673936.db2.gz NITPHBFVFRMXEJ-UHFFFAOYSA-N 1 0 274.280 1.691 20 5 CDBDRO O=[N+]([O-])c1cncc(Cl)c1NC[C@@H]1COCC[NH2+]1 ZINC000302588929 940805338 /nfs/dbraw/zinc/80/53/38/940805338.db2.gz UAYLNZUKEYSNOJ-SSDOTTSWSA-N 1 0 272.692 1.044 20 5 CDBDRO Nc1ccc(O[C@H]2CCC[NH2+]C[C@H]2F)cc1[N+](=O)[O-] ZINC001217951104 941032121 /nfs/dbraw/zinc/03/21/21/941032121.db2.gz OKRYKGQSGUKBGF-SKDRFNHKSA-N 1 0 269.276 1.646 20 5 CDBDRO CC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CC[NH2+]C1 ZINC001218177420 941042461 /nfs/dbraw/zinc/04/24/61/941042461.db2.gz OMBDVHLHAPBKPM-JTQLQIEISA-N 1 0 250.254 1.538 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2O[C@@H]1CCC[NH2+]C1 ZINC001218283087 941051187 /nfs/dbraw/zinc/05/11/87/941051187.db2.gz DXYYACZUGUFBJJ-SNVBAGLBSA-N 1 0 274.280 1.669 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCc1cc(=O)n2ccsc2n1 ZINC001222890112 941639148 /nfs/dbraw/zinc/63/91/48/941639148.db2.gz RSACPHJRTYAUMZ-SNVBAGLBSA-N 1 0 282.389 1.367 20 5 CDBDRO C[N@@H+]1[C@@H]2C[C@H](OCc3ccc([N+](=O)[O-])nc3)[C@H]1CC(=O)C2 ZINC001224108342 941720102 /nfs/dbraw/zinc/72/01/02/941720102.db2.gz FZNBDTNJBMGSEC-UHTWSYAYSA-N 1 0 291.307 1.311 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CO[C@H](C[N+](=O)[O-])c1cccnc1 ZINC001224701387 941784612 /nfs/dbraw/zinc/78/46/12/941784612.db2.gz FKPUOVRVUMXBJF-ZIAGYGMSSA-N 1 0 279.340 1.900 20 5 CDBDRO CCOC(=O)[C@@H](OCC[N+](C)(C)C)C(F)(F)F ZINC001224775548 941789953 /nfs/dbraw/zinc/78/99/53/941789953.db2.gz MLDPSQHXSBXSLU-MRVPVSSYSA-N 1 0 258.260 1.203 20 5 CDBDRO Cc1cc(N2CC[C@@H](OCC[N+](C)(C)C)C2)nc(Cl)n1 ZINC001224775718 941790329 /nfs/dbraw/zinc/79/03/29/941790329.db2.gz NSAFMPCDIRAQBZ-GFCCVEGCSA-N 1 0 299.826 1.740 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cnc2sccc2c1 ZINC001225450117 941861940 /nfs/dbraw/zinc/86/19/40/941861940.db2.gz FSYQGIWNRGRXHX-LLVKDONJSA-N 1 0 295.384 1.659 20 5 CDBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cccnc1[N+](=O)[O-])C2 ZINC001225628788 941890607 /nfs/dbraw/zinc/89/06/07/941890607.db2.gz VQXIMWSGRJMWDL-JGPRNRPPSA-N 1 0 263.297 1.994 20 5 CDBDRO COC(=O)c1cccc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001225679471 941899305 /nfs/dbraw/zinc/89/93/05/941899305.db2.gz URFDLCSZJFGZGZ-LLVKDONJSA-N 1 0 252.334 1.947 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(Cl)c1F ZINC001225723178 941904556 /nfs/dbraw/zinc/90/45/56/941904556.db2.gz UQDWVLZAPQFMJQ-SECBINFHSA-N 1 0 290.742 1.842 20 5 CDBDRO COC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)nc1 ZINC001225767119 941911509 /nfs/dbraw/zinc/91/15/09/941911509.db2.gz ZPDXMTOIASVLHJ-JTQLQIEISA-N 1 0 253.322 1.342 20 5 CDBDRO CC[NH+](CC)C[C@H](C)Oc1ccc([N+](=O)[O-])cc1C(N)=O ZINC001226167133 941961625 /nfs/dbraw/zinc/96/16/25/941961625.db2.gz DGISLOBAEOVPEY-JTQLQIEISA-N 1 0 295.339 1.803 20 5 CDBDRO CN1CC[C@@H](Oc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001226252694 941975166 /nfs/dbraw/zinc/97/51/66/941975166.db2.gz SBISHZGZTLLXEG-MRVPVSSYSA-N 1 0 257.677 1.726 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2cc(F)ccc2[nH]1 ZINC001226701582 942052470 /nfs/dbraw/zinc/05/24/70/942052470.db2.gz RTKGZLHXLGZFEA-SNVBAGLBSA-N 1 0 296.322 1.065 20 5 CDBDRO C[NH+]1CCC(Oc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001226755416 942064023 /nfs/dbraw/zinc/06/40/23/942064023.db2.gz MAADKKVCJUDERQ-UHFFFAOYSA-N 1 0 255.249 1.602 20 5 CDBDRO C[N@@H+]1CCC[C@H](Oc2cnccc2[N+](=O)[O-])CC1 ZINC001228880317 942387832 /nfs/dbraw/zinc/38/78/32/942387832.db2.gz UDBBDRVONFCYBP-JTQLQIEISA-N 1 0 251.286 1.853 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cc([N+](=O)[O-])ccc1O ZINC001229395938 942462893 /nfs/dbraw/zinc/46/28/93/942462893.db2.gz NNUWKYGPLUVWTQ-SECBINFHSA-O 1 0 255.294 1.774 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001261128683 945970886 /nfs/dbraw/zinc/97/08/86/945970886.db2.gz ZGTZDLODRWIUDF-GFCCVEGCSA-N 1 0 293.371 1.794 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCO[C@H](C[NH3+])C1 ZINC001254536901 947515461 /nfs/dbraw/zinc/51/54/61/947515461.db2.gz VFKMKNQPQLXZNK-DGCLKSJQSA-N 1 0 279.340 1.185 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC(=O)N1 ZINC001254534747 947515884 /nfs/dbraw/zinc/51/58/84/947515884.db2.gz CMGKOOYFQFDVQV-PWSUYJOCSA-N 1 0 277.324 1.394 20 5 CDBDRO CC(C)CNC(=O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254539677 947517858 /nfs/dbraw/zinc/51/78/58/947517858.db2.gz JDRYSGHYHGIBLQ-GFCCVEGCSA-N 1 0 293.367 1.888 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCOC[C@@H](O)C1 ZINC001254552403 947522297 /nfs/dbraw/zinc/52/22/97/947522297.db2.gz LHLWOYVOVHBEKV-AAEUAGOBSA-N 1 0 280.324 1.219 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](O)C[C@H]1C ZINC001254553730 947524905 /nfs/dbraw/zinc/52/49/05/947524905.db2.gz XYDLWLXXZPCWPE-DMDPSCGWSA-N 1 0 264.325 1.981 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CCC(=O)N(C)C ZINC001254559831 947526052 /nfs/dbraw/zinc/52/60/52/947526052.db2.gz NLBWXIPKDVEYLV-LBPRGKRZSA-N 1 0 293.367 1.936 20 5 CDBDRO C[C@H](CN(C)C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573007 947530069 /nfs/dbraw/zinc/53/00/69/947530069.db2.gz VFMKPIHXRLOTND-ZWNOBZJWSA-N 1 0 263.341 1.602 20 5 CDBDRO CC(C)(C)[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254578427 947535636 /nfs/dbraw/zinc/53/56/36/947535636.db2.gz LKQLMYQIYWODGQ-DGCLKSJQSA-N 1 0 291.351 1.552 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)C2 ZINC001254579110 947538290 /nfs/dbraw/zinc/53/82/90/947538290.db2.gz PRYNXRFWKTUPJT-GXSJLCMTSA-N 1 0 290.241 1.575 20 5 CDBDRO CC(C)(O)[C@H](F)C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254589588 947543073 /nfs/dbraw/zinc/54/30/73/947543073.db2.gz PIGPVMLWNUJDQA-WCQYABFASA-N 1 0 282.315 1.761 20 5 CDBDRO C[C@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1O ZINC001254592748 947543820 /nfs/dbraw/zinc/54/38/20/947543820.db2.gz GJLAOLNOVYWSSD-HERUPUMHSA-N 1 0 262.309 1.375 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](n1cnc3c1C[NH2+]CC3)C2 ZINC001254594976 947547442 /nfs/dbraw/zinc/54/74/42/947547442.db2.gz ULJHDXPZGYSRQY-CYBMUJFWSA-N 1 0 284.319 1.777 20 5 CDBDRO Cn1ncc2c1C[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254606841 947552151 /nfs/dbraw/zinc/55/21/51/947552151.db2.gz IIWXSJFUSOIJQC-HNNXBMFYSA-N 1 0 298.346 1.854 20 5 CDBDRO C[N@H+](CCC1OCCO1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603814 947553784 /nfs/dbraw/zinc/55/37/84/947553784.db2.gz QXYYFESRAMCIQE-CQSZACIVSA-N 1 0 292.335 1.757 20 5 CDBDRO COC[C@H]1CC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611067 947556979 /nfs/dbraw/zinc/55/69/79/947556979.db2.gz UDVBXZQPIGTDEA-KGLIPLIRSA-N 1 0 262.309 1.783 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH3+])[C@H]1C ZINC001246547628 948252566 /nfs/dbraw/zinc/25/25/66/948252566.db2.gz FNTLUIFQBVVHMU-NQBHXWOUSA-N 1 0 263.341 1.947 20 5 CDBDRO C[C@@H]1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H](C)[NH2+]1 ZINC001246963422 948544594 /nfs/dbraw/zinc/54/45/94/948544594.db2.gz HCKDRMLZVNDXAA-UEKVPHQBSA-N 1 0 275.352 1.744 20 5 CDBDRO CC(C)[C@H](C[NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001248361075 949035695 /nfs/dbraw/zinc/03/56/95/949035695.db2.gz XFMIVWBFQIACIN-QMMMGPOBSA-N 1 0 295.274 1.877 20 5 CDBDRO [NH3+][C@H](Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)C1CC1 ZINC001249239717 949479375 /nfs/dbraw/zinc/47/93/75/949479375.db2.gz FOANIHOEFDDIQO-MRVPVSSYSA-N 1 0 293.258 1.459 20 5 CDBDRO CC1=NO[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335382709 954641423 /nfs/dbraw/zinc/64/14/23/954641423.db2.gz QLOPDCLMOLWWMN-STQMWFEESA-N 1 0 279.296 1.383 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001329353357 955841487 /nfs/dbraw/zinc/84/14/87/955841487.db2.gz UWLJQWDAVNKWPD-IUCAKERBSA-N 1 0 296.302 1.066 20 5 CDBDRO C[C@H]1[C@@H](O)CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001308065455 956465842 /nfs/dbraw/zinc/46/58/42/956465842.db2.gz ALFKLWKJXXPLHK-BPNCWPANSA-N 1 0 280.324 1.473 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)C[NH2+]C ZINC001332155418 957453933 /nfs/dbraw/zinc/45/39/33/957453933.db2.gz CBHYNHYZVHRDSY-VIFPVBQESA-N 1 0 280.328 1.222 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001334076662 958813480 /nfs/dbraw/zinc/81/34/80/958813480.db2.gz VRMPXKVDAUUVTI-SECBINFHSA-N 1 0 296.302 1.807 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N[C@@H]3CC[NH2+]C3)c2c1 ZINC001335873161 960072855 /nfs/dbraw/zinc/07/28/55/960072855.db2.gz POSFWOIHLJJMHI-SSDOTTSWSA-N 1 0 293.714 1.965 20 5 CDBDRO Cn1c(CC[NH2+]CC[N+](=O)[O-])nc2ccc(F)cc21 ZINC001335954601 960120120 /nfs/dbraw/zinc/12/01/20/960120120.db2.gz POSAUZCFNIJMRQ-UHFFFAOYSA-N 1 0 266.276 1.121 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001322468651 960231775 /nfs/dbraw/zinc/23/17/75/960231775.db2.gz CRAUTEMEGIDUBO-NSHDSACASA-N 1 0 276.340 1.616 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1C[NH+]2CCC1CC2 ZINC001336175817 960235746 /nfs/dbraw/zinc/23/57/46/960235746.db2.gz SLEUQELDMSMSDZ-AWEZNQCLSA-N 1 0 289.335 1.348 20 5 CDBDRO CC[C@H](CNc1cc(N)c([N+](=O)[O-])cn1)[NH+]1CCCC1 ZINC001336479378 960362208 /nfs/dbraw/zinc/36/22/08/960362208.db2.gz SDNVQLDQKOHYJP-SNVBAGLBSA-N 1 0 279.344 1.858 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001337881332 961488984 /nfs/dbraw/zinc/48/89/84/961488984.db2.gz WKCMAEFFYVCCOK-SECBINFHSA-N 1 0 267.333 1.713 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001340248183 962841472 /nfs/dbraw/zinc/84/14/72/962841472.db2.gz FHKGLIYXTDATJH-UHTWSYAYSA-N 1 0 275.308 1.258 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])CCC1 ZINC001340904843 963180666 /nfs/dbraw/zinc/18/06/66/963180666.db2.gz CARPQZCJVKHNIN-UHFFFAOYSA-N 1 0 295.364 1.928 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H]([NH3+])C2)c1C ZINC001342053639 963621468 /nfs/dbraw/zinc/62/14/68/963621468.db2.gz SMSPZXWVYHALRM-MGCOHNPYSA-N 1 0 263.297 1.431 20 5 CDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC001342171748 963662023 /nfs/dbraw/zinc/66/20/23/963662023.db2.gz VWQSHKQTZSRYDZ-KYZUINATSA-N 1 0 295.364 1.926 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001342518439 963757065 /nfs/dbraw/zinc/75/70/65/963757065.db2.gz MSPONVYYZXPIOM-GWCFXTLKSA-N 1 0 277.324 1.914 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001342770730 963821917 /nfs/dbraw/zinc/82/19/17/963821917.db2.gz DPIIGJLEJIEWOO-WDEREUQCSA-N 1 0 275.308 1.276 20 5 CDBDRO CN(CC(C)(C)[NH3+])C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001343973925 964199061 /nfs/dbraw/zinc/19/90/61/964199061.db2.gz ISVJVYOVNMGLGO-STQMWFEESA-N 1 0 291.351 1.894 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N1CC[NH+](CC(C)(C)O)CC1 ZINC001344035973 964218233 /nfs/dbraw/zinc/21/82/33/964218233.db2.gz OTLKFEQNWIXGFR-UHFFFAOYSA-N 1 0 294.355 1.191 20 5 CDBDRO C[C@@H](NC(=O)N[C@]1(C)CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001353467029 967998097 /nfs/dbraw/zinc/99/80/97/967998097.db2.gz LCLAOUPVBAUQRK-QMTHXVAHSA-N 1 0 292.339 1.707 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC1=[NH+]CCCN1C ZINC000848996007 969388478 /nfs/dbraw/zinc/38/84/78/969388478.db2.gz ZESDJDLPCNQSSA-UHFFFAOYSA-N 1 0 278.312 1.385 20 5 CDBDRO [NH3+]C1(CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001523344048 970688479 /nfs/dbraw/zinc/68/84/79/970688479.db2.gz BJLJRYBDNRYMHC-RYUDHWBXSA-N 1 0 275.308 1.306 20 5 CDBDRO CC(C)CC[C@@H]([NH3+])C(=O)Nc1c([N+](=O)[O-])ncn1C ZINC001575560693 1171203009 /nfs/dbraw/zinc/20/30/09/1171203009.db2.gz LEOYXHAFXNALHF-MRVPVSSYSA-N 1 0 269.305 1.030 20 5 CDBDRO C[C@H]1CC[NH2+][C@H](C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC001576747495 1171505294 /nfs/dbraw/zinc/50/52/94/1171505294.db2.gz BPAOSUUVMKZPRQ-KWQFWETISA-N 1 0 278.312 1.504 20 5 CDBDRO O=[N+]([O-])c1cc(F)c(CN2C[C@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000586760909 342467016 /nfs/dbraw/zinc/46/70/16/342467016.db2.gz QXRBSPNLGARGQX-DTORHVGOSA-N 1 0 283.278 1.524 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000590403703 342543966 /nfs/dbraw/zinc/54/39/66/342543966.db2.gz MXUSRUCSCFGBHB-ZWNOBZJWSA-N 1 0 277.324 1.759 20 5 CDBDRO O=[N+]([O-])c1ccc2oc(CN3C[C@@H]4C[C@H]3C[NH2+]4)nc2c1 ZINC000601326737 342553945 /nfs/dbraw/zinc/55/39/45/342553945.db2.gz HGWAMXHKIOPUEL-WPRPVWTQSA-N 1 0 274.280 1.282 20 5 CDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000070170149 361739367 /nfs/dbraw/zinc/73/93/67/361739367.db2.gz AIJOZCQDSIWZJY-JTQLQIEISA-N 1 0 295.314 1.935 20 5 CDBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000070791836 342023892 /nfs/dbraw/zinc/02/38/92/342023892.db2.gz JIEUTDASAHOGBC-LLVKDONJSA-N 1 0 297.359 1.097 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)C(F)(F)F)c1 ZINC000070183810 361764162 /nfs/dbraw/zinc/76/41/62/361764162.db2.gz KMLFNOXCHXNQOI-SECBINFHSA-N 1 0 264.203 1.608 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+]CCc2cn[nH]n2)cc1[N+](=O)[O-] ZINC000590605284 342578280 /nfs/dbraw/zinc/57/82/80/342578280.db2.gz HNJFNXXCDLFVHC-SNVBAGLBSA-N 1 0 275.312 1.915 20 5 CDBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000609135662 342091820 /nfs/dbraw/zinc/09/18/20/342091820.db2.gz VGSDBJIJINMATR-NSHDSACASA-N 1 0 294.355 1.536 20 5 CDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[NH2+]C1 ZINC000273085996 192038095 /nfs/dbraw/zinc/03/80/95/192038095.db2.gz YUKYITROQDQGIO-LLVKDONJSA-N 1 0 293.323 1.089 20 5 CDBDRO O=C1NCCC[C@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000590971826 342612339 /nfs/dbraw/zinc/61/23/39/342612339.db2.gz OHASDIFWITWNAT-YIALFULDSA-N 1 0 289.335 1.724 20 5 CDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@H]4CC[NH2+][C@H]4C3)nc2c1 ZINC000591438115 342631993 /nfs/dbraw/zinc/63/19/93/342631993.db2.gz LAMHZXWTJLMSNW-RNCFNFMXSA-N 1 0 287.323 1.659 20 5 CDBDRO COc1ccc(NC(=O)NC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000591297619 342624392 /nfs/dbraw/zinc/62/43/92/342624392.db2.gz JLZTXXYAWAPTKG-ZETCQYMHSA-N 1 0 268.273 1.072 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591437034 342631780 /nfs/dbraw/zinc/63/17/80/342631780.db2.gz DWWVBPXUGSRWKE-WDEREUQCSA-N 1 0 279.344 1.308 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591438665 342632020 /nfs/dbraw/zinc/63/20/20/342632020.db2.gz PGKPOWHKUQBKOS-ZYHUDNBSSA-N 1 0 262.313 1.486 20 5 CDBDRO CC(=O)NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000047771791 342131750 /nfs/dbraw/zinc/13/17/50/342131750.db2.gz YUFISAGGVXTQAV-UHFFFAOYSA-N 1 0 291.351 1.943 20 5 CDBDRO Cc1nc(N2CCC[C@]3(CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC000591440769 342632218 /nfs/dbraw/zinc/63/22/18/342632218.db2.gz NKODZZRDSPDFNO-CYBMUJFWSA-N 1 0 277.328 1.273 20 5 CDBDRO COC1(CO)CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000401755514 342679164 /nfs/dbraw/zinc/67/91/64/342679164.db2.gz QWVDVZATTSETAE-UHFFFAOYSA-N 1 0 294.351 1.877 20 5 CDBDRO CC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[C@H]1[NH3+] ZINC000592332565 342685410 /nfs/dbraw/zinc/68/54/10/342685410.db2.gz LLGBZQCWRUXJDQ-GXSJLCMTSA-N 1 0 292.339 1.376 20 5 CDBDRO [NH3+]C[C@H](Cn1cnc([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000592158963 342670770 /nfs/dbraw/zinc/67/07/70/342670770.db2.gz ZWUZVQLAGFTYGW-SECBINFHSA-N 1 0 265.248 1.068 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CCC[NH3+] ZINC000592473864 342698776 /nfs/dbraw/zinc/69/87/76/342698776.db2.gz SARVXQJOZGUPDH-UHFFFAOYSA-N 1 0 280.328 1.122 20 5 CDBDRO CC[C@@H](NC(=O)[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000592538061 342707979 /nfs/dbraw/zinc/70/79/79/342707979.db2.gz NNYHJXFVFIFHIA-CHWSQXEVSA-N 1 0 277.324 1.914 20 5 CDBDRO CC[C@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000592538081 342708129 /nfs/dbraw/zinc/70/81/29/342708129.db2.gz PJXAEPJLBWDKSI-RFQIPJPRSA-N 1 0 289.335 1.628 20 5 CDBDRO CC[NH+](CC)CCCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000265242990 361893709 /nfs/dbraw/zinc/89/37/09/361893709.db2.gz IXCYBVAOPCVSSE-UHFFFAOYSA-N 1 0 283.332 1.088 20 5 CDBDRO CCN1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000593685683 342822346 /nfs/dbraw/zinc/82/23/46/342822346.db2.gz DUEQUODQJMKDLG-NSHDSACASA-N 1 0 277.324 1.553 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@]2(O)CCCOC2)c(F)c1 ZINC000593687041 342822628 /nfs/dbraw/zinc/82/26/28/342822628.db2.gz BJYBMXUOXGNWAN-AWEZNQCLSA-N 1 0 298.314 1.755 20 5 CDBDRO Cc1cccc(C(=O)N[C@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000264916050 539040561 /nfs/dbraw/zinc/04/05/61/539040561.db2.gz ONYYXJKEMIDURZ-LLVKDONJSA-N 1 0 279.340 1.973 20 5 CDBDRO Nc1c(C(=O)NCCC2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000593920075 342851710 /nfs/dbraw/zinc/85/17/10/342851710.db2.gz WUZNFDUFQPTENY-UHFFFAOYSA-N 1 0 292.339 1.297 20 5 CDBDRO CC(C)Oc1nc(N(C)C2C[NH2+]C2)ccc1[N+](=O)[O-] ZINC000593932381 342852875 /nfs/dbraw/zinc/85/28/75/342852875.db2.gz XPSQTRBQYUMOKK-UHFFFAOYSA-N 1 0 266.301 1.185 20 5 CDBDRO C[C@H](O)CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594066362 342870243 /nfs/dbraw/zinc/87/02/43/342870243.db2.gz WGGHBSVRYCVOAU-JTQLQIEISA-N 1 0 293.323 1.379 20 5 CDBDRO CCN(CC[NH3+])CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000600717325 342244388 /nfs/dbraw/zinc/24/43/88/342244388.db2.gz QGLUIHFQALHCFZ-UHFFFAOYSA-N 1 0 294.355 1.512 20 5 CDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCOCC[NH3+] ZINC000600737592 342246499 /nfs/dbraw/zinc/24/64/99/342246499.db2.gz WTOKSZXYDUNBBO-NSHDSACASA-N 1 0 267.329 1.563 20 5 CDBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1c[nH]nc1[N+](=O)[O-] ZINC000594419793 342903210 /nfs/dbraw/zinc/90/32/10/342903210.db2.gz RLQRULLASIAIHI-WDEREUQCSA-N 1 0 293.327 1.065 20 5 CDBDRO C[NH2+]C1(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000600827167 342251991 /nfs/dbraw/zinc/25/19/91/342251991.db2.gz UFNVEOCMUVUSOG-UHFFFAOYSA-N 1 0 295.314 1.535 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H](O)C2)cc1 ZINC000055897517 349702147 /nfs/dbraw/zinc/70/21/47/349702147.db2.gz IWATYIQITLFUIQ-ZDUSSCGKSA-N 1 0 280.324 1.820 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)CO ZINC000595010427 342990314 /nfs/dbraw/zinc/99/03/14/342990314.db2.gz CHFCCCHAFQFWHE-BDAKNGLRSA-N 1 0 254.286 1.635 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC(=O)N(C)C ZINC000595040926 342998179 /nfs/dbraw/zinc/99/81/79/342998179.db2.gz PPERFCKRASXAPS-JTQLQIEISA-N 1 0 295.339 1.732 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595230032 343009634 /nfs/dbraw/zinc/00/96/34/343009634.db2.gz LJXYAMZKWDCMNO-MRVPVSSYSA-N 1 0 252.274 1.324 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000595263693 343015313 /nfs/dbraw/zinc/01/53/13/343015313.db2.gz JPIQIGDWSAKWMU-VIFPVBQESA-N 1 0 296.327 1.011 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000595293953 343025984 /nfs/dbraw/zinc/02/59/84/343025984.db2.gz VKMMLYGRWCPWIE-QWRGUYRKSA-N 1 0 265.288 1.385 20 5 CDBDRO Cc1noc(CN2CCC[C@H]([C@H](C)O)C2)c1[N+](=O)[O-] ZINC000595388324 343052928 /nfs/dbraw/zinc/05/29/28/343052928.db2.gz GSJKMLBBYGKLQT-UWVGGRQHSA-N 1 0 269.301 1.484 20 5 CDBDRO Cc1noc(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000595497476 343077765 /nfs/dbraw/zinc/07/77/65/343077765.db2.gz OITRUTALMNJLSK-VXGBXAGGSA-N 1 0 294.355 1.950 20 5 CDBDRO O=C1[C@H](NCc2csc([N+](=O)[O-])c2)C[C@H]2CCCCN12 ZINC000453622172 252329081 /nfs/dbraw/zinc/32/90/81/252329081.db2.gz JHENWNDJSMVVIQ-GHMZBOCLSA-N 1 0 295.364 1.899 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000595928410 343184067 /nfs/dbraw/zinc/18/40/67/343184067.db2.gz SMUDLWYGBADJDC-XYPYZODXSA-N 1 0 263.297 1.291 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCC1([NH3+])CCCC1 ZINC000595967972 343198774 /nfs/dbraw/zinc/19/87/74/343198774.db2.gz ZPVVIOLKTPDOPB-UHFFFAOYSA-N 1 0 278.312 1.178 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000595981906 343210695 /nfs/dbraw/zinc/21/06/95/343210695.db2.gz GRNFQECDFOSDKZ-MRVPVSSYSA-N 1 0 277.280 1.679 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000595984021 343211422 /nfs/dbraw/zinc/21/14/22/343211422.db2.gz TXYLITJKYPMLJP-SNVBAGLBSA-N 1 0 281.312 1.088 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000595984588 343211492 /nfs/dbraw/zinc/21/14/92/343211492.db2.gz WGIZUDAZIXCGBC-SSDOTTSWSA-N 1 0 271.704 1.586 20 5 CDBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@@H+]1C ZINC000596147430 343244064 /nfs/dbraw/zinc/24/40/64/343244064.db2.gz WYZWOTHNRQFWAQ-GXSJLCMTSA-N 1 0 292.339 1.588 20 5 CDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc(N)c([N+](=O)[O-])n1 ZINC000596231942 343261667 /nfs/dbraw/zinc/26/16/67/343261667.db2.gz NDDKSPMMPXNFGL-QWRGUYRKSA-N 1 0 291.355 1.635 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NCCN1C[C@H](C)OC[C@H]1C ZINC000596434013 343320432 /nfs/dbraw/zinc/32/04/32/343320432.db2.gz WKLPJLRGMCPBQG-NEPJUHHUSA-N 1 0 294.355 1.241 20 5 CDBDRO CC(C)[NH+]1CCC(N(C)c2c([N+](=O)[O-])ncn2C)CC1 ZINC000024208478 342391921 /nfs/dbraw/zinc/39/19/21/342391921.db2.gz ZHUAIIXHSRNPEC-UHFFFAOYSA-N 1 0 281.360 1.637 20 5 CDBDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000090413815 342395004 /nfs/dbraw/zinc/39/50/04/342395004.db2.gz GCGQFHYNJIGGRG-ZWNOBZJWSA-N 1 0 277.324 1.866 20 5 CDBDRO Cc1cc(N2CCC([NH2+]CCO)CC2)ccc1[N+](=O)[O-] ZINC000092689488 342416793 /nfs/dbraw/zinc/41/67/93/342416793.db2.gz TVWOKVSKWZXYML-UHFFFAOYSA-N 1 0 279.340 1.454 20 5 CDBDRO Cc1ccc(C[N@@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000092455722 342412476 /nfs/dbraw/zinc/41/24/76/342412476.db2.gz IBVJRCCOMRIQAT-LBPRGKRZSA-N 1 0 250.298 1.860 20 5 CDBDRO C[C@H](CC[S@](C)=O)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000128277103 342448875 /nfs/dbraw/zinc/44/88/75/342448875.db2.gz SMXWRKYGGXPUSP-NSPYISDASA-N 1 0 284.381 1.884 20 5 CDBDRO Cc1ccc(C[NH2+]C2([C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000597234651 343489929 /nfs/dbraw/zinc/48/99/29/343489929.db2.gz MTNYDPJYGGIBDF-SNVBAGLBSA-N 1 0 250.298 1.906 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000295005368 199296325 /nfs/dbraw/zinc/29/63/25/199296325.db2.gz RXKKYDWVBXJNTP-CYBMUJFWSA-N 1 0 279.340 1.854 20 5 CDBDRO C[C@@H](CCNC(=O)c1ccc(F)cc1[N+](=O)[O-])[NH+](C)C ZINC000597993668 343683461 /nfs/dbraw/zinc/68/34/61/343683461.db2.gz VEDRROVFMJRPEW-VIFPVBQESA-N 1 0 283.303 1.804 20 5 CDBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000598261685 343743886 /nfs/dbraw/zinc/74/38/86/343743886.db2.gz SQIHMJXDWNZITK-SNVBAGLBSA-N 1 0 295.343 1.168 20 5 CDBDRO C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000598645362 343855700 /nfs/dbraw/zinc/85/57/00/343855700.db2.gz HVSCVSQZSSQVSA-STQMWFEESA-N 1 0 294.351 1.924 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOC[C@H]1O)CCC2 ZINC000599082162 343957228 /nfs/dbraw/zinc/95/72/28/343957228.db2.gz RRQOJOPCBJMNBS-RBSFLKMASA-N 1 0 292.335 1.712 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1 ZINC000600000407 344163084 /nfs/dbraw/zinc/16/30/84/344163084.db2.gz VKGSYOVJMANTKI-IMRBUKKESA-N 1 0 289.335 1.535 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H](O)C2)cc1 ZINC000264958859 344316911 /nfs/dbraw/zinc/31/69/11/344316911.db2.gz FKYRLUVGUBOJGR-LBPRGKRZSA-N 1 0 266.297 1.430 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602487960 344449961 /nfs/dbraw/zinc/44/99/61/344449961.db2.gz XLWZOABCUZAJRS-IUCAKERBSA-N 1 0 281.287 1.543 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc([N+](=O)[O-])c1 ZINC000602590920 344479842 /nfs/dbraw/zinc/47/98/42/344479842.db2.gz LFYHLOKAPHWDMX-TXEJJXNPSA-N 1 0 275.308 1.480 20 5 CDBDRO C[C@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CS1 ZINC000602567415 344484005 /nfs/dbraw/zinc/48/40/05/344484005.db2.gz DFXQBQHYYKFIEK-DTWKUNHWSA-N 1 0 256.331 1.275 20 5 CDBDRO CO[C@H](C)[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000602637195 344510626 /nfs/dbraw/zinc/51/06/26/344510626.db2.gz MSDANLKVQSDVQQ-DTWKUNHWSA-N 1 0 278.312 1.984 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C1CCCC1 ZINC000602765970 344573085 /nfs/dbraw/zinc/57/30/85/344573085.db2.gz JEKHDXPFKDSUOB-UHFFFAOYSA-N 1 0 252.318 1.974 20 5 CDBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)NC ZINC000602684964 344530582 /nfs/dbraw/zinc/53/05/82/344530582.db2.gz CEALNUMJZAMXOQ-GFCCVEGCSA-N 1 0 265.313 1.252 20 5 CDBDRO Nc1c(C(=O)NCC[NH+]2CCCC2)cc(F)cc1[N+](=O)[O-] ZINC000194509304 362408926 /nfs/dbraw/zinc/40/89/26/362408926.db2.gz IRRHCFSGVZATJX-UHFFFAOYSA-N 1 0 296.302 1.142 20 5 CDBDRO O=C([C@@H]1CCC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000159606086 362444399 /nfs/dbraw/zinc/44/43/99/362444399.db2.gz MUXLMERZWDMRJY-GFCCVEGCSA-N 1 0 289.335 1.479 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000150995171 362444569 /nfs/dbraw/zinc/44/45/69/362444569.db2.gz QMKICEQJYNAYSE-SNVBAGLBSA-N 1 0 278.312 1.001 20 5 CDBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602813415 344604793 /nfs/dbraw/zinc/60/47/93/344604793.db2.gz XKJCQOVQUWCISW-NXEZZACHSA-N 1 0 298.343 1.277 20 5 CDBDRO CCn1cc([C@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])cn1 ZINC000602840302 344621232 /nfs/dbraw/zinc/62/12/32/344621232.db2.gz NBWOTTLGTRCFKX-JTQLQIEISA-N 1 0 292.343 1.667 20 5 CDBDRO COc1ccc(CN[C@H]2C[C@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000603430558 344803009 /nfs/dbraw/zinc/80/30/09/344803009.db2.gz AFDOKMRKSROPFH-STQMWFEESA-N 1 0 279.340 1.819 20 5 CDBDRO CCN(CC[NH3+])C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000302429370 344866292 /nfs/dbraw/zinc/86/62/92/344866292.db2.gz MJDKPEOXHNKSCQ-UHFFFAOYSA-N 1 0 271.704 1.669 20 5 CDBDRO [NH3+][C@H](CNC(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000129183419 362530090 /nfs/dbraw/zinc/53/00/90/362530090.db2.gz CGZQWIXLGZTZBD-MRVPVSSYSA-N 1 0 255.299 1.123 20 5 CDBDRO COc1ccncc1Cn1ccc(C)c([N+](=O)[O-])c1=O ZINC000344071651 362541023 /nfs/dbraw/zinc/54/10/23/362541023.db2.gz KJCIJOZSVFOXCU-UHFFFAOYSA-N 1 0 275.264 1.517 20 5 CDBDRO COCC[N@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344209468 362555823 /nfs/dbraw/zinc/55/58/23/362555823.db2.gz JRWGHHVDJPTNDX-UHFFFAOYSA-N 1 0 299.302 1.042 20 5 CDBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000072672826 345350843 /nfs/dbraw/zinc/35/08/43/345350843.db2.gz OMLLJFRGMYLHEZ-ZDUSSCGKSA-N 1 0 294.355 1.759 20 5 CDBDRO CCOc1ccc(C(=O)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000033093457 345441568 /nfs/dbraw/zinc/44/15/68/345441568.db2.gz MELAGKXHIPDCMJ-JTQLQIEISA-N 1 0 295.339 1.673 20 5 CDBDRO CO[C@@]1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000160280897 345773736 /nfs/dbraw/zinc/77/37/36/345773736.db2.gz OBHQPSDIWJEAQA-CQSZACIVSA-N 1 0 280.324 1.532 20 5 CDBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000314974884 535016263 /nfs/dbraw/zinc/01/62/63/535016263.db2.gz PZFNKNNXABVUKQ-SECBINFHSA-N 1 0 295.343 1.031 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000127541911 187313785 /nfs/dbraw/zinc/31/37/85/187313785.db2.gz LHEKVPRVFUISOV-LJLILKBBSA-N 1 0 275.308 1.558 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(F)cc2)c1 ZINC000037880033 346369693 /nfs/dbraw/zinc/36/96/93/346369693.db2.gz TXKYTIJVZAKMAH-ZDUSSCGKSA-N 1 0 294.286 1.081 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000086469248 362712641 /nfs/dbraw/zinc/71/26/41/362712641.db2.gz LXWZMXYRBIAYBA-WDEREUQCSA-N 1 0 292.339 1.216 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cccs2)c1 ZINC000037886185 346369578 /nfs/dbraw/zinc/36/95/78/346369578.db2.gz DKBDEMGRWBXJKO-JTQLQIEISA-N 1 0 282.325 1.004 20 5 CDBDRO O=C(C[NH2+]C1CC1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676275 346492082 /nfs/dbraw/zinc/49/20/82/346492082.db2.gz OGRKWTCLPPGPTF-UHFFFAOYSA-N 1 0 263.297 1.006 20 5 CDBDRO O=C(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])NC1CC1 ZINC000112017158 365852988 /nfs/dbraw/zinc/85/29/88/365852988.db2.gz WWQOMWQPCVPHAJ-UHFFFAOYSA-N 1 0 277.324 1.743 20 5 CDBDRO CC(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000344432812 362777297 /nfs/dbraw/zinc/77/72/97/362777297.db2.gz HXWSRXZREWUDSP-UHFFFAOYSA-N 1 0 264.329 1.957 20 5 CDBDRO COc1cc(OCC[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000122599952 347661901 /nfs/dbraw/zinc/66/19/01/347661901.db2.gz ISHXEPJKAQVJAL-SNVBAGLBSA-N 1 0 266.297 1.982 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[C@H]1[NH3+] ZINC000122428848 347644925 /nfs/dbraw/zinc/64/49/25/347644925.db2.gz CWNXYBIFPGIJIT-RKDXNWHRSA-N 1 0 283.353 1.856 20 5 CDBDRO C[NH2+]Cc1cn(Cc2cccc([N+](=O)[O-])c2C)nn1 ZINC000090295779 347651495 /nfs/dbraw/zinc/65/14/95/347651495.db2.gz QKUBOOTZCOCQPS-UHFFFAOYSA-N 1 0 261.285 1.262 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000086467311 179297250 /nfs/dbraw/zinc/29/72/50/179297250.db2.gz BJDSNBBMQMHUGV-LASXONHFSA-N 1 0 289.335 1.817 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000086467872 179299163 /nfs/dbraw/zinc/29/91/63/179299163.db2.gz FBMLEBGFEFJLRR-WDEREUQCSA-N 1 0 277.324 1.726 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000057838606 348847841 /nfs/dbraw/zinc/84/78/41/348847841.db2.gz LHRKOJXJFPXEST-SECBINFHSA-N 1 0 295.368 1.834 20 5 CDBDRO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C[NH+](C)C ZINC000293711081 362936059 /nfs/dbraw/zinc/93/60/59/362936059.db2.gz JDEGCJOCBAGRRP-QMMMGPOBSA-N 1 0 298.318 1.244 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[NH+](C)C)c1 ZINC000067547509 349028499 /nfs/dbraw/zinc/02/84/99/349028499.db2.gz JUFCROTWKCTPQF-SECBINFHSA-N 1 0 281.312 1.283 20 5 CDBDRO COC[C@H](O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090950124 180072001 /nfs/dbraw/zinc/07/20/01/180072001.db2.gz IJPVSBLEQBAVIZ-VXGBXAGGSA-N 1 0 282.340 1.951 20 5 CDBDRO C[C@H](c1ccccn1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000091701586 180230445 /nfs/dbraw/zinc/23/04/45/180230445.db2.gz DHADJEHLVDHEDY-LLVKDONJSA-N 1 0 275.312 1.879 20 5 CDBDRO COc1cccc(C(=O)N[C@@](C)(C[NH3+])C(C)C)c1[N+](=O)[O-] ZINC000515636150 362954636 /nfs/dbraw/zinc/95/46/36/362954636.db2.gz LVNMWMXCTFZPNN-AWEZNQCLSA-N 1 0 295.339 1.707 20 5 CDBDRO COc1ccc(C[NH2+][C@@H](C(N)=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000109331518 186248792 /nfs/dbraw/zinc/24/87/92/186248792.db2.gz CWVORDMRIIETJQ-LBPRGKRZSA-N 1 0 295.339 1.593 20 5 CDBDRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000110647395 186309755 /nfs/dbraw/zinc/30/97/55/186309755.db2.gz CIQMOSXOWFWBFR-QMMMGPOBSA-N 1 0 267.285 1.387 20 5 CDBDRO CCOc1cc(N[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000111051360 186348318 /nfs/dbraw/zinc/34/83/18/186348318.db2.gz HEGIRZYRINXMEL-JTQLQIEISA-N 1 0 251.286 1.767 20 5 CDBDRO CC(C)(C)CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000313479213 350842349 /nfs/dbraw/zinc/84/23/49/350842349.db2.gz IFDDYCMCNAOCGD-LBPRGKRZSA-N 1 0 284.360 1.568 20 5 CDBDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000111268294 186383934 /nfs/dbraw/zinc/38/39/34/186383934.db2.gz QDKXCFXTZYEZJP-GFCCVEGCSA-N 1 0 277.324 1.553 20 5 CDBDRO COc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000154895459 351346237 /nfs/dbraw/zinc/34/62/37/351346237.db2.gz WUYCDVLYFJLPFL-NSHDSACASA-N 1 0 293.323 1.301 20 5 CDBDRO Cc1ccc(C[N@@H+]2CC[C@@H](n3cncn3)C2)cc1[N+](=O)[O-] ZINC000364505766 363034708 /nfs/dbraw/zinc/03/47/08/363034708.db2.gz FHECFZVAYGPFQZ-CYBMUJFWSA-N 1 0 287.323 1.942 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000156095536 351451134 /nfs/dbraw/zinc/45/11/34/351451134.db2.gz BYCDPVXNUBSGCG-UWVGGRQHSA-N 1 0 278.312 1.938 20 5 CDBDRO CCNC(=O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088616497 366049997 /nfs/dbraw/zinc/04/99/97/366049997.db2.gz SELXMOLUIXNKAC-UHFFFAOYSA-N 1 0 263.297 1.089 20 5 CDBDRO C[NH2+][C@@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000123154168 187074666 /nfs/dbraw/zinc/07/46/66/187074666.db2.gz ZMNFQSUVXFBWLT-LLVKDONJSA-N 1 0 253.277 1.528 20 5 CDBDRO C[C@H](CCCC[NH3+])NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000291995183 198128886 /nfs/dbraw/zinc/12/88/86/198128886.db2.gz BPLONFMJHPSZQC-SECBINFHSA-N 1 0 283.303 1.981 20 5 CDBDRO C[C@H](CCCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000292077124 198155163 /nfs/dbraw/zinc/15/51/63/198155163.db2.gz LUCRAICQFOHNIP-SNVBAGLBSA-N 1 0 265.313 1.842 20 5 CDBDRO CSC[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000292288118 198231765 /nfs/dbraw/zinc/23/17/65/198231765.db2.gz CEUGIFMTPSLTLW-NSHDSACASA-N 1 0 284.385 1.866 20 5 CDBDRO C[N@@H+](CCc1ccccn1)CCn1cc([N+](=O)[O-])cn1 ZINC000152918458 188052668 /nfs/dbraw/zinc/05/26/68/188052668.db2.gz ZPBXLXKIADTLJO-UHFFFAOYSA-N 1 0 275.312 1.361 20 5 CDBDRO CCOC[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154400161 188139670 /nfs/dbraw/zinc/13/96/70/188139670.db2.gz OBRFSOIJBRRBNZ-WFASDCNBSA-N 1 0 294.351 1.987 20 5 CDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C1 ZINC000052093067 363210269 /nfs/dbraw/zinc/21/02/69/363210269.db2.gz DVQREXAFNNXTPL-MVIFTORASA-N 1 0 261.281 1.086 20 5 CDBDRO COc1ccc(OCC[NH2+][C@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC000156256286 188251170 /nfs/dbraw/zinc/25/11/70/188251170.db2.gz KPPLCNJARHDADX-GFCCVEGCSA-N 1 0 298.339 1.589 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000156531636 188267645 /nfs/dbraw/zinc/26/76/45/188267645.db2.gz VSABYORZYZVGTA-KOLCDFICSA-N 1 0 292.339 1.376 20 5 CDBDRO COc1cc(C(=O)N(C)CC(C)(C)C[NH3+])ccc1[N+](=O)[O-] ZINC000156746796 188279005 /nfs/dbraw/zinc/27/90/05/188279005.db2.gz LLYQDVPHJIKVMS-UHFFFAOYSA-N 1 0 295.339 1.660 20 5 CDBDRO C[N@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1N)C1CC1 ZINC000157321245 188309421 /nfs/dbraw/zinc/30/94/21/188309421.db2.gz IVOKQHRGKFNNPT-UHFFFAOYSA-N 1 0 278.312 1.001 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000516917554 363255507 /nfs/dbraw/zinc/25/55/07/363255507.db2.gz POASUOJJFHPEHT-GHMZBOCLSA-N 1 0 279.344 1.154 20 5 CDBDRO C[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000454711733 252363897 /nfs/dbraw/zinc/36/38/97/252363897.db2.gz ACWJYUMJHRQKKE-NSHDSACASA-N 1 0 294.355 1.387 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H](C)N1C ZINC000358705839 356323970 /nfs/dbraw/zinc/32/39/70/356323970.db2.gz AKWJZSCDEPTKBC-IUCAKERBSA-N 1 0 266.301 1.088 20 5 CDBDRO C[C@]1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000128859310 538442695 /nfs/dbraw/zinc/44/26/95/538442695.db2.gz LPOZXARIIFCJKR-AWEZNQCLSA-N 1 0 295.314 1.853 20 5 CDBDRO Cc1cc(OC[C@H](O)C[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000290529953 357210257 /nfs/dbraw/zinc/21/02/57/357210257.db2.gz DEFBZWVGSYSJKI-GFCCVEGCSA-N 1 0 280.324 1.737 20 5 CDBDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000048335818 357177938 /nfs/dbraw/zinc/17/79/38/357177938.db2.gz YWFKRWYKWFEZKW-JTQLQIEISA-N 1 0 266.297 1.836 20 5 CDBDRO Cc1c(C[N@@H+](CC(N)=O)CC(C)C)cccc1[N+](=O)[O-] ZINC000051735627 357257655 /nfs/dbraw/zinc/25/76/55/357257655.db2.gz MVAKIURFCVHEBC-UHFFFAOYSA-N 1 0 279.340 1.847 20 5 CDBDRO CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000264605988 357441122 /nfs/dbraw/zinc/44/11/22/357441122.db2.gz GFPHMUFEQGOEDB-UHFFFAOYSA-N 1 0 277.324 1.763 20 5 CDBDRO C[C@]1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000062858956 357499272 /nfs/dbraw/zinc/49/92/72/357499272.db2.gz IWLAABDLFHEHHG-HNNXBMFYSA-N 1 0 291.351 1.643 20 5 CDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000286646521 357650495 /nfs/dbraw/zinc/65/04/95/357650495.db2.gz DLFJLBWUMWBDGY-LLVKDONJSA-N 1 0 293.371 1.225 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000186753176 357683534 /nfs/dbraw/zinc/68/35/34/357683534.db2.gz OGMDNQZIFHIEHI-UFBFGSQYSA-N 1 0 297.742 1.976 20 5 CDBDRO C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000360882351 357730626 /nfs/dbraw/zinc/73/06/26/357730626.db2.gz DMDVMOUPLZQVPV-FPMFFAJLSA-N 1 0 294.351 1.890 20 5 CDBDRO C[C@H](NC(=O)[C@H]1C[C@H](F)C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000188359355 357884566 /nfs/dbraw/zinc/88/45/66/357884566.db2.gz CDQBCPCZRSOHII-PTOFAABTSA-N 1 0 281.287 1.472 20 5 CDBDRO COCC[N@H+](C)CCNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000171070488 358176054 /nfs/dbraw/zinc/17/60/54/358176054.db2.gz HCBUJOKEFQBORW-UHFFFAOYSA-N 1 0 295.339 1.788 20 5 CDBDRO CCC[N@H+](CC)CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193664510 358314131 /nfs/dbraw/zinc/31/41/31/358314131.db2.gz CFLHLLVZUIWBNO-UHFFFAOYSA-N 1 0 296.327 1.157 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(OCCO)CC1 ZINC000135389647 358401868 /nfs/dbraw/zinc/40/18/68/358401868.db2.gz RORGTWFBOPIUHA-UHFFFAOYSA-N 1 0 280.324 1.568 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccco1 ZINC000176194217 358736402 /nfs/dbraw/zinc/73/64/02/358736402.db2.gz XZFMWZRQSZEYKV-UHFFFAOYSA-N 1 0 250.258 1.516 20 5 CDBDRO COC(=O)CC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(C)C ZINC000176219062 358741363 /nfs/dbraw/zinc/74/13/63/358741363.db2.gz LAUCLTVWSACSGL-UHFFFAOYSA-N 1 0 298.343 1.312 20 5 CDBDRO O=[N+]([O-])c1ccc([O-])cc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332581145 358789943 /nfs/dbraw/zinc/78/99/43/358789943.db2.gz IPPKPLJSGJJPNX-GFCCVEGCSA-N 1 0 277.324 1.580 20 5 CDBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cn1)[N@H+](C)C1CC1 ZINC000230873364 358796833 /nfs/dbraw/zinc/79/68/33/358796833.db2.gz VXPJAVPROMHVIK-QMMMGPOBSA-N 1 0 251.290 1.279 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000264962129 358799235 /nfs/dbraw/zinc/79/92/35/358799235.db2.gz ZVVKKKQOOAJBKN-NSHDSACASA-N 1 0 295.339 1.430 20 5 CDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCN(C)C ZINC000299345390 358877568 /nfs/dbraw/zinc/87/75/68/358877568.db2.gz LYFCYLYMBRVSEN-NSHDSACASA-N 1 0 294.355 1.463 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000104189887 358950059 /nfs/dbraw/zinc/95/00/59/358950059.db2.gz MAQFHQMQXPJBSU-UHFFFAOYSA-N 1 0 269.276 1.368 20 5 CDBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000451772567 359080176 /nfs/dbraw/zinc/08/01/76/359080176.db2.gz KIEXVWNIAMSCRE-MNOVXSKESA-N 1 0 296.327 1.113 20 5 CDBDRO CC1(C)C[C@H](O)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000451802449 359082226 /nfs/dbraw/zinc/08/22/26/359082226.db2.gz NVIZXFAYCSIDBD-GFCCVEGCSA-N 1 0 282.344 1.274 20 5 CDBDRO CO[C@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000451847992 359086564 /nfs/dbraw/zinc/08/65/64/359086564.db2.gz JJAMOIOZLIEJPY-STQMWFEESA-N 1 0 294.355 1.681 20 5 CDBDRO C[C@@H](Nc1ccc(N)cc1[N+](=O)[O-])[C@H](C)N1CCOCC1 ZINC000287790199 359121969 /nfs/dbraw/zinc/12/19/69/359121969.db2.gz IVXFNMIAHGDSMN-MNOVXSKESA-N 1 0 294.355 1.698 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2COCCO2)c(Cl)c1 ZINC000049963500 359530649 /nfs/dbraw/zinc/53/06/49/359530649.db2.gz XETHWWLDOROETF-NSHDSACASA-N 1 0 286.715 1.753 20 5 CDBDRO Cc1nc(NC[C@@]2([NH+](C)C)CCSC2)ncc1[N+](=O)[O-] ZINC000297386492 200172101 /nfs/dbraw/zinc/17/21/01/200172101.db2.gz DUJFTZQLVHGSKE-LBPRGKRZSA-N 1 0 297.384 1.542 20 5 CDBDRO C[C@H]1C[C@H](O)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000340911485 363679450 /nfs/dbraw/zinc/67/94/50/363679450.db2.gz FLPSPZJWNRCQNO-QWRGUYRKSA-N 1 0 266.297 1.429 20 5 CDBDRO O=[N+]([O-])c1cnc2c(c1)CN(C[C@H]1CCCC[C@H]1O)CC2 ZINC000572164314 359949323 /nfs/dbraw/zinc/94/93/23/359949323.db2.gz ZTODOXKWBVINPA-IAQYHMDHSA-N 1 0 291.351 1.899 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342719542 359970015 /nfs/dbraw/zinc/97/00/15/359970015.db2.gz RLUVIPORRYCXBM-CQSZACIVSA-N 1 0 292.339 1.418 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000054264451 360066109 /nfs/dbraw/zinc/06/61/09/360066109.db2.gz XSULVPUGCBIYEV-UHFFFAOYSA-N 1 0 251.286 1.324 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000235445748 360121115 /nfs/dbraw/zinc/12/11/15/360121115.db2.gz XFWJVDKTDQSZNF-MWLCHTKSSA-N 1 0 263.297 1.465 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](CCO)C(C)(C)C ZINC000355012534 360444783 /nfs/dbraw/zinc/44/47/83/360444783.db2.gz MTCBXBYMIVRYAC-SNVBAGLBSA-N 1 0 270.333 1.215 20 5 CDBDRO CS[C@H]1CN(c2nc(C)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270375182 360458587 /nfs/dbraw/zinc/45/85/87/360458587.db2.gz NVVQYJXICAPWPL-NEPJUHHUSA-N 1 0 296.396 1.780 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000178566208 189127561 /nfs/dbraw/zinc/12/75/61/189127561.db2.gz NSWOYCYRVCHHNG-JTQLQIEISA-N 1 0 295.364 1.494 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000178646018 189134029 /nfs/dbraw/zinc/13/40/29/189134029.db2.gz SNKFEJIZFQGVEE-ZETCQYMHSA-N 1 0 271.704 1.715 20 5 CDBDRO CC(C)(C)[C@@H](CO)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000180633120 189267179 /nfs/dbraw/zinc/26/71/79/189267179.db2.gz IKOULGOUQAIMIA-CYBMUJFWSA-N 1 0 282.340 1.970 20 5 CDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000275115033 192917853 /nfs/dbraw/zinc/91/78/53/192917853.db2.gz HLZFVJVREZWEGU-LDYMZIIASA-N 1 0 297.742 1.976 20 5 CDBDRO CC1(C)COCCN1CCNc1ncc([N+](=O)[O-])s1 ZINC000192450288 361667603 /nfs/dbraw/zinc/66/76/03/361667603.db2.gz KGELEYVKZKVDEO-UHFFFAOYSA-N 1 0 286.357 1.574 20 5 CDBDRO CC[NH+]1CCC(N(C)c2ncc([N+](=O)[O-])cn2)CC1 ZINC000302145600 201365426 /nfs/dbraw/zinc/36/54/26/201365426.db2.gz HPLLQGNWBFCYRH-UHFFFAOYSA-N 1 0 265.317 1.305 20 5 CDBDRO CC(C)Oc1nc(NCC[NH+]2CCC2)ccc1[N+](=O)[O-] ZINC000582430572 364087229 /nfs/dbraw/zinc/08/72/29/364087229.db2.gz AWLDSIROLIOUGC-UHFFFAOYSA-N 1 0 280.328 1.317 20 5 CDBDRO Cc1ccc(C[NH2+][C@H](C)C[S@@](C)=O)cc1[N+](=O)[O-] ZINC000168212691 364118509 /nfs/dbraw/zinc/11/85/09/364118509.db2.gz LJKLIDKQMPGHNV-MGNBDDOMSA-N 1 0 270.354 1.760 20 5 CDBDRO CC[N@H+](C)C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174881177 364587801 /nfs/dbraw/zinc/58/78/01/364587801.db2.gz DSCMKHDIYXMHPQ-LBPRGKRZSA-N 1 0 281.360 1.065 20 5 CDBDRO CCNC(=O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000035010481 364613220 /nfs/dbraw/zinc/61/32/20/364613220.db2.gz XBDXCCJSYSXZRS-UHFFFAOYSA-N 1 0 251.286 1.129 20 5 CDBDRO CC[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174819641 364574262 /nfs/dbraw/zinc/57/42/62/364574262.db2.gz SMCYMMUDKRJHRM-NSHDSACASA-N 1 0 252.318 1.913 20 5 CDBDRO CC[NH+](CC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088349335 364777541 /nfs/dbraw/zinc/77/75/41/364777541.db2.gz OZDKRVWTEGYWTI-UHFFFAOYSA-N 1 0 291.351 1.821 20 5 CDBDRO C[C@@]1(CCCO)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000345922307 364948695 /nfs/dbraw/zinc/94/86/95/364948695.db2.gz DZGCGRHGJNIRAV-ZDUSSCGKSA-N 1 0 282.344 1.418 20 5 CDBDRO Cc1c(C[NH2+]C[C@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000231885839 364998197 /nfs/dbraw/zinc/99/81/97/364998197.db2.gz JCRUCHYRFRNLLY-JTQLQIEISA-N 1 0 278.230 1.916 20 5 CDBDRO CC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000412852316 240397821 /nfs/dbraw/zinc/39/78/21/240397821.db2.gz WYUYKQXZKIBCED-LLVKDONJSA-N 1 0 295.314 1.487 20 5 CDBDRO CC(C)C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075833762 366889717 /nfs/dbraw/zinc/88/97/17/366889717.db2.gz LGDCNYLJQGTKJG-AWEZNQCLSA-N 1 0 296.371 1.520 20 5 CDBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000020120738 367024370 /nfs/dbraw/zinc/02/43/70/367024370.db2.gz RNAOYHWIDJFVNS-UHFFFAOYSA-N 1 0 293.367 1.795 20 5 CDBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000122414348 367016393 /nfs/dbraw/zinc/01/63/93/367016393.db2.gz RHGPVEDFXSGOEG-AWEZNQCLSA-N 1 0 291.351 1.594 20 5 CDBDRO COc1cc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000153151015 367053844 /nfs/dbraw/zinc/05/38/44/367053844.db2.gz NDVCAODWRARUCU-GXTWGEPZSA-N 1 0 293.323 1.123 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000415048309 241532717 /nfs/dbraw/zinc/53/27/17/241532717.db2.gz XCUBTFWFEBCOMN-VIFPVBQESA-N 1 0 255.343 1.886 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000348517816 367455829 /nfs/dbraw/zinc/45/58/29/367455829.db2.gz YDJJTJAAKBVNRA-SECBINFHSA-N 1 0 297.359 1.340 20 5 CDBDRO C[C@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000417222688 242365343 /nfs/dbraw/zinc/36/53/43/242365343.db2.gz FUBKQIFIDSMXKF-NSHDSACASA-N 1 0 292.339 1.141 20 5 CDBDRO COc1cc(CN2CC[C@H](OC)C2)c([N+](=O)[O-])cc1F ZINC000274288715 367676844 /nfs/dbraw/zinc/67/68/44/367676844.db2.gz GBOTZHDORJYPNJ-JTQLQIEISA-N 1 0 284.287 1.963 20 5 CDBDRO Cc1cnc(N[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000090692243 367777845 /nfs/dbraw/zinc/77/78/45/367777845.db2.gz SWXBAUPOHFXYLH-SNVBAGLBSA-N 1 0 262.313 1.947 20 5 CDBDRO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000272591213 367779686 /nfs/dbraw/zinc/77/96/86/367779686.db2.gz PMHKAIXIHLMNNX-NEPJUHHUSA-N 1 0 291.351 1.736 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000226518875 368234255 /nfs/dbraw/zinc/23/42/55/368234255.db2.gz LWIUMPUCXPGYKS-SNVBAGLBSA-N 1 0 281.287 1.558 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441195656 368416858 /nfs/dbraw/zinc/41/68/58/368416858.db2.gz JDKTVVXSARVPMV-NEPJUHHUSA-N 1 0 294.355 1.577 20 5 CDBDRO C[C@H](C[NH3+])NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418509496 243159313 /nfs/dbraw/zinc/15/93/13/243159313.db2.gz BIQCSHMRBKSISB-SNVBAGLBSA-N 1 0 292.339 1.616 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000047226730 284062321 /nfs/dbraw/zinc/06/23/21/284062321.db2.gz GSUWEFSKUVXFQK-TZMCWYRMSA-N 1 0 289.335 1.951 20 5 CDBDRO CN(CCn1cc([N+](=O)[O-])cn1)C(C)(C)C[NH+]1CCCC1 ZINC000419362873 243643704 /nfs/dbraw/zinc/64/37/04/243643704.db2.gz CGRGTZMDUBINLI-UHFFFAOYSA-N 1 0 295.387 1.598 20 5 CDBDRO COc1ccc(OCCN2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000420338699 244110392 /nfs/dbraw/zinc/11/03/92/244110392.db2.gz OPAQFACUQYUNBN-NSHDSACASA-N 1 0 295.339 1.276 20 5 CDBDRO C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000420387955 244186481 /nfs/dbraw/zinc/18/64/81/244186481.db2.gz GPAKQQSNPDZJAP-VXGBXAGGSA-N 1 0 279.340 1.656 20 5 CDBDRO CS(=O)(=O)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000038047403 370061226 /nfs/dbraw/zinc/06/12/26/370061226.db2.gz JSTYQJQPIUSVSW-UHFFFAOYSA-N 1 0 272.326 1.119 20 5 CDBDRO C[C@H](NC(=O)[C@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000037766491 370079459 /nfs/dbraw/zinc/07/94/59/370079459.db2.gz GUNQPFXWLKZFFD-GXFFZTMASA-N 1 0 277.324 1.914 20 5 CDBDRO CC[NH2+]CCNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000414821578 370442334 /nfs/dbraw/zinc/44/23/34/370442334.db2.gz FHXXTQVIJCGGEQ-UHFFFAOYSA-N 1 0 283.328 1.311 20 5 CDBDRO C[NH2+]C[C@H](C)CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000414831719 370479319 /nfs/dbraw/zinc/47/93/19/370479319.db2.gz DMSBSPJFYRCXIB-JTQLQIEISA-N 1 0 297.355 1.557 20 5 CDBDRO [NH3+][C@H](CNC/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000414892502 371033123 /nfs/dbraw/zinc/03/31/23/371033123.db2.gz JFXZOUAKDKYQLN-MASHWEEQSA-N 1 0 261.325 1.935 20 5 CDBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000422895190 245378035 /nfs/dbraw/zinc/37/80/35/245378035.db2.gz FJJJZTBXRFDMCO-SNVBAGLBSA-N 1 0 294.355 1.622 20 5 CDBDRO C[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000151240001 372018047 /nfs/dbraw/zinc/01/80/47/372018047.db2.gz RHYMQEUDPOSTSL-UHFFFAOYSA-N 1 0 257.677 1.197 20 5 CDBDRO CC[C@H](NC(=O)[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000120793531 372798875 /nfs/dbraw/zinc/79/88/75/372798875.db2.gz YOIPJLDTHUJIGV-KWQFWETISA-N 1 0 251.286 1.509 20 5 CDBDRO [NH3+][C@H]1C[C@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001580428719 1172431372 /nfs/dbraw/zinc/43/13/72/1172431372.db2.gz BZAVZAKGEBRXPY-KYZUINATSA-N 1 0 283.715 1.397 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000189311772 373279791 /nfs/dbraw/zinc/27/97/91/373279791.db2.gz OWDXCDGOOHMMHW-IONNQARKSA-N 1 0 269.326 1.527 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000423542682 245902417 /nfs/dbraw/zinc/90/24/17/245902417.db2.gz BLMSOSDMQOGLKZ-GFCCVEGCSA-N 1 0 291.351 1.859 20 5 CDBDRO [NH3+]CCCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423723764 246003940 /nfs/dbraw/zinc/00/39/40/246003940.db2.gz MCVXRUGBIKSFGP-UHFFFAOYSA-N 1 0 263.257 1.149 20 5 CDBDRO C[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000114007279 374294222 /nfs/dbraw/zinc/29/42/22/374294222.db2.gz XDVHGVWVYDFNKP-LLVKDONJSA-N 1 0 265.313 1.098 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000422887145 374361675 /nfs/dbraw/zinc/36/16/75/374361675.db2.gz YMLHOYDDZKQDKX-LLVKDONJSA-N 1 0 277.324 1.775 20 5 CDBDRO C[C@@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000422985499 374366225 /nfs/dbraw/zinc/36/62/25/374366225.db2.gz FBQFMCDJSLQEHV-UDZFHETQSA-N 1 0 275.308 1.524 20 5 CDBDRO C[C@@H](NC[C@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000423527563 374388698 /nfs/dbraw/zinc/38/86/98/374388698.db2.gz RWXCVSLYULSYSW-ZWNOBZJWSA-N 1 0 265.313 1.234 20 5 CDBDRO [NH3+]C1(c2noc(Cn3ccc([N+](=O)[O-])n3)n2)CCCCC1 ZINC000424343713 374408811 /nfs/dbraw/zinc/40/88/11/374408811.db2.gz KEUUNOFFPPVHRG-UHFFFAOYSA-N 1 0 292.299 1.341 20 5 CDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000375802690 374513448 /nfs/dbraw/zinc/51/34/48/374513448.db2.gz VSUJVWWNNRKLGZ-CHWSQXEVSA-N 1 0 293.371 1.350 20 5 CDBDRO Cc1ccc(C[NH2+]CCc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000069786639 374615316 /nfs/dbraw/zinc/61/53/16/374615316.db2.gz CJUNGRDTLBAQOY-UHFFFAOYSA-N 1 0 274.324 1.969 20 5 CDBDRO Cc1ccnc(NCC[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000070496688 374664456 /nfs/dbraw/zinc/66/44/56/374664456.db2.gz LUCWAYQTRAFNEK-JTQLQIEISA-N 1 0 250.302 1.710 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](C[C@H](C)O)CC1 ZINC000275012990 374688022 /nfs/dbraw/zinc/68/80/22/374688022.db2.gz JZXPSETXPLUSMF-LBPRGKRZSA-N 1 0 279.340 1.406 20 5 CDBDRO CCOCC[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000093311917 374742064 /nfs/dbraw/zinc/74/20/64/374742064.db2.gz OOTDWUWJOVXZDQ-ZDUSSCGKSA-N 1 0 298.339 1.303 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](C)CC1 ZINC000277662632 374799539 /nfs/dbraw/zinc/79/95/39/374799539.db2.gz WMEJOHYYZVLQAA-UHFFFAOYSA-N 1 0 293.323 1.427 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)NCCF ZINC000449305452 374799592 /nfs/dbraw/zinc/79/95/92/374799592.db2.gz GNBKEWZDFLITAO-MNOVXSKESA-N 1 0 297.330 1.590 20 5 CDBDRO O=C(N[C@@H]1CC[NH2+]C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000093973159 374800059 /nfs/dbraw/zinc/80/00/59/374800059.db2.gz KUJBQSOIKFNSBD-SSDOTTSWSA-N 1 0 269.688 1.340 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000277253205 374780557 /nfs/dbraw/zinc/78/05/57/374780557.db2.gz KQHJWKZIIPKYKA-SNVBAGLBSA-N 1 0 281.312 1.744 20 5 CDBDRO C[NH2+]CCCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000124945462 374873452 /nfs/dbraw/zinc/87/34/52/374873452.db2.gz HNVSXAYRDKHXRN-UHFFFAOYSA-N 1 0 251.330 1.679 20 5 CDBDRO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000331020269 374879152 /nfs/dbraw/zinc/87/91/52/374879152.db2.gz XLVOVMPCTHNSIU-CMPLNLGQSA-N 1 0 282.344 1.273 20 5 CDBDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000331063516 374883612 /nfs/dbraw/zinc/88/36/12/374883612.db2.gz PHAXOYUKIURQOV-ZJUUUORDSA-N 1 0 252.318 1.997 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCNC(=O)CC1 ZINC000266750716 374953949 /nfs/dbraw/zinc/95/39/49/374953949.db2.gz PQTVZIWNQAYFAL-SNVBAGLBSA-N 1 0 263.297 1.478 20 5 CDBDRO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000331515845 374967209 /nfs/dbraw/zinc/96/72/09/374967209.db2.gz NLCCTAHOLXSOPQ-LBPRGKRZSA-N 1 0 289.335 1.870 20 5 CDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC2(C[NH2+]C2)C1 ZINC001580570254 1172470225 /nfs/dbraw/zinc/47/02/25/1172470225.db2.gz ULBKRZIVENKKQR-UHFFFAOYSA-N 1 0 295.726 1.223 20 5 CDBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CCn1cncn1 ZINC000282474260 375088647 /nfs/dbraw/zinc/08/86/47/375088647.db2.gz OBJMFQXYEUXOQH-UHFFFAOYSA-N 1 0 275.312 1.361 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000131759780 375339457 /nfs/dbraw/zinc/33/94/57/375339457.db2.gz OKQRMTDTLXRZLP-LLVKDONJSA-N 1 0 295.314 1.948 20 5 CDBDRO CC[N@@H+]1CC[C@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000493587157 375466954 /nfs/dbraw/zinc/46/69/54/375466954.db2.gz QHVDLGCMQHGYQN-WSROAFLRSA-N 1 0 289.335 1.818 20 5 CDBDRO CN(C(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000132183084 375408186 /nfs/dbraw/zinc/40/81/86/375408186.db2.gz LEBJDAZCSNDKHW-LLVKDONJSA-N 1 0 295.314 1.900 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC000304316521 375428202 /nfs/dbraw/zinc/42/82/02/375428202.db2.gz ONPGJNGZVARSGT-MRVWCRGKSA-N 1 0 294.355 1.417 20 5 CDBDRO CCC[C@](C)([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000353252996 375590803 /nfs/dbraw/zinc/59/08/03/375590803.db2.gz OZKOUJJZNDDBGS-HNNXBMFYSA-N 1 0 291.351 1.997 20 5 CDBDRO C[NH+](C)CCOC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000352941302 375555663 /nfs/dbraw/zinc/55/56/63/375555663.db2.gz OXEUUSYHPCFXFF-UHFFFAOYSA-N 1 0 294.355 1.537 20 5 CDBDRO C[C@]1(F)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000347337704 375574247 /nfs/dbraw/zinc/57/42/47/375574247.db2.gz BFMHRIOPDPASFG-LBPRGKRZSA-N 1 0 269.276 1.190 20 5 CDBDRO CCC[C@](C)([NH3+])C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000353084640 375574682 /nfs/dbraw/zinc/57/46/82/375574682.db2.gz GFRBVPWHYFLFDM-AWEZNQCLSA-N 1 0 294.355 1.640 20 5 CDBDRO CCCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000344868057 375625526 /nfs/dbraw/zinc/62/55/26/375625526.db2.gz UISBNXGJIIFPTB-UHFFFAOYSA-N 1 0 282.344 1.347 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000227975848 375659363 /nfs/dbraw/zinc/65/93/63/375659363.db2.gz FJHPAOHWAWTMFN-RISCZKNCSA-N 1 0 280.324 1.533 20 5 CDBDRO CC(C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CCOCC1 ZINC000357102934 375736819 /nfs/dbraw/zinc/73/68/19/375736819.db2.gz SDACBNPYVOOCRZ-UHFFFAOYSA-N 1 0 282.344 1.718 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000045629493 375820905 /nfs/dbraw/zinc/82/09/05/375820905.db2.gz RSZHBQJXOGKSLD-DGCLKSJQSA-N 1 0 280.328 1.098 20 5 CDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000429772578 247526004 /nfs/dbraw/zinc/52/60/04/247526004.db2.gz JKYMBWGCHGHRDH-UONOGXRCSA-N 1 0 291.351 1.642 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@@]2(O)CCSC2)cc1[N+](=O)[O-] ZINC000267060545 376629816 /nfs/dbraw/zinc/62/98/16/376629816.db2.gz PFCFGXUEOYMISJ-ZDUSSCGKSA-N 1 0 282.365 1.861 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435239666 248159983 /nfs/dbraw/zinc/15/99/83/248159983.db2.gz XQAQMQWXKCCHRM-CYBMUJFWSA-N 1 0 289.335 1.490 20 5 CDBDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000188857789 377097546 /nfs/dbraw/zinc/09/75/46/377097546.db2.gz MGYJPAHNCZBRGA-ZYHUDNBSSA-N 1 0 280.324 1.854 20 5 CDBDRO Cc1ccc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000189303139 377226746 /nfs/dbraw/zinc/22/67/46/377226746.db2.gz RFRQFVZFRTUKKO-ZYHUDNBSSA-N 1 0 277.324 1.774 20 5 CDBDRO Cc1cccc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000172029211 377235957 /nfs/dbraw/zinc/23/59/57/377235957.db2.gz YHZQYKIJJNCXCW-LBPRGKRZSA-N 1 0 291.351 1.927 20 5 CDBDRO CC[C@@H](C)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000075633419 377852459 /nfs/dbraw/zinc/85/24/59/377852459.db2.gz HZDVEDPKMIFOBB-SECBINFHSA-N 1 0 265.313 1.924 20 5 CDBDRO C[C@@H]([NH2+]CCn1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000266863362 378083598 /nfs/dbraw/zinc/08/35/98/378083598.db2.gz LSLQXJMSBDWKDO-SNVBAGLBSA-N 1 0 261.285 1.537 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000041028556 379248188 /nfs/dbraw/zinc/24/81/88/379248188.db2.gz PANOHOGHQQOEEG-FZKGZDJFSA-N 1 0 275.308 1.558 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CO)[C@@H]2CCCO2)cc1 ZINC000447912434 250444887 /nfs/dbraw/zinc/44/48/87/250444887.db2.gz KAGNLYYURCRUQM-KBPBESRZSA-N 1 0 280.324 1.267 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CC(=O)NC ZINC000449598635 250925415 /nfs/dbraw/zinc/92/54/15/250925415.db2.gz CKAXAMWXTFFFIO-JTQLQIEISA-N 1 0 295.339 1.608 20 5 CDBDRO Cc1nc(N(C)C[C@@H]2CC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC000450313209 251218242 /nfs/dbraw/zinc/21/82/42/251218242.db2.gz KMICEUIGYRMERQ-SNVBAGLBSA-N 1 0 265.317 1.081 20 5 CDBDRO CC1(C)[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@H]2CCO[C@H]21 ZINC000451468493 251726172 /nfs/dbraw/zinc/72/61/72/251726172.db2.gz UQIBSTWUSOGCEB-YUSALJHKSA-N 1 0 280.328 1.194 20 5 CDBDRO CO[C@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000453157833 252278185 /nfs/dbraw/zinc/27/81/85/252278185.db2.gz HKIJBMRNCGBDDI-NEPJUHHUSA-N 1 0 280.328 1.339 20 5 CDBDRO C[C@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000492920046 253326211 /nfs/dbraw/zinc/32/62/11/253326211.db2.gz HSPNSEOGKPEWPW-ABZNLYFFSA-N 1 0 291.351 1.922 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289340120 197303199 /nfs/dbraw/zinc/30/31/99/197303199.db2.gz WTFKGAJWMSXPGR-CYBMUJFWSA-N 1 0 278.312 1.139 20 5 CDBDRO C[C@@H](CC[NH3+])NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493100004 253369504 /nfs/dbraw/zinc/36/95/04/253369504.db2.gz AFOWDOCFYNYCLG-LVCFMKKZSA-N 1 0 281.287 1.601 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(N[C@H]3CC[NH2+]C3)ccc2c1 ZINC000052093805 285151567 /nfs/dbraw/zinc/15/15/67/285151567.db2.gz REDRJGZITHCRET-JTQLQIEISA-N 1 0 258.281 1.917 20 5 CDBDRO CC[C@H]1CCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000286090935 390192346 /nfs/dbraw/zinc/19/23/46/390192346.db2.gz KPPKJUYLDFHMOV-WDEREUQCSA-N 1 0 252.318 1.960 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)c2ncccc2[N+](=O)[O-])C1 ZINC000450953093 390581327 /nfs/dbraw/zinc/58/13/27/390581327.db2.gz WYWQNIHRGUGUTB-LLVKDONJSA-N 1 0 264.329 1.909 20 5 CDBDRO C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@@H+](C2CC2)C1 ZINC000451079743 390592738 /nfs/dbraw/zinc/59/27/38/390592738.db2.gz AGYDERHIGMACKH-GFCCVEGCSA-N 1 0 293.371 1.207 20 5 CDBDRO COCCN(C)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000061376248 390883909 /nfs/dbraw/zinc/88/39/09/390883909.db2.gz QWLOFPQPBSQCLX-GFCCVEGCSA-N 1 0 281.356 1.824 20 5 CDBDRO CC[C@@]1(C)CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247706724 390930193 /nfs/dbraw/zinc/93/01/93/390930193.db2.gz ZBRDXYAIRHOLFD-KGLIPLIRSA-N 1 0 296.371 1.664 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NCC[N@@H+]1CCCOCC1 ZINC000188490556 390962682 /nfs/dbraw/zinc/96/26/82/390962682.db2.gz DDXYVADGMQYAGT-UHFFFAOYSA-N 1 0 280.328 1.432 20 5 CDBDRO [NH3+][C@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000236336806 390965655 /nfs/dbraw/zinc/96/56/55/390965655.db2.gz PCXLIMRQYXIWHJ-LURJTMIESA-N 1 0 287.117 1.290 20 5 CDBDRO C[C@@H](CC[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1F ZINC000413092300 391157106 /nfs/dbraw/zinc/15/71/06/391157106.db2.gz FUDNRFKGMPTRKP-QMMMGPOBSA-N 1 0 256.281 1.881 20 5 CDBDRO [NH3+]CC[C@H](NCc1ccccc1[N+](=O)[O-])C(F)F ZINC000415001393 391237761 /nfs/dbraw/zinc/23/77/61/391237761.db2.gz YCXWKSOUDUMLDN-VIFPVBQESA-N 1 0 259.256 1.667 20 5 CDBDRO Cn1c(C(=O)N2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000408086840 391296805 /nfs/dbraw/zinc/29/68/05/391296805.db2.gz LXOYDKZRAKSUMI-SNVBAGLBSA-N 1 0 280.328 1.100 20 5 CDBDRO C[C@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000415634262 391470079 /nfs/dbraw/zinc/47/00/79/391470079.db2.gz SDWFNBOVWWCFQW-QPUJVOFHSA-N 1 0 296.302 1.935 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH2+]CC1 ZINC000415650921 391470167 /nfs/dbraw/zinc/47/01/67/391470167.db2.gz GAVCARSQJOFCOT-UHFFFAOYSA-N 1 0 294.311 1.431 20 5 CDBDRO CC(C)[C@@H](C[NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000087533425 391527868 /nfs/dbraw/zinc/52/78/68/391527868.db2.gz VFQQFPMHHIAEIL-LLVKDONJSA-N 1 0 265.313 1.442 20 5 CDBDRO Cc1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)ncc1[N+](=O)[O-] ZINC000266859973 391625949 /nfs/dbraw/zinc/62/59/49/391625949.db2.gz WDLBQSOLZNUHES-GFCCVEGCSA-N 1 0 274.324 1.749 20 5 CDBDRO Cc1cc(N2CC[C@]3(CC[N@@H+](C)C3)C2)ncc1[N+](=O)[O-] ZINC000292396846 391630547 /nfs/dbraw/zinc/63/05/47/391630547.db2.gz UPGRYJDRXAFVHU-AWEZNQCLSA-N 1 0 276.340 1.830 20 5 CDBDRO C[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC(C)(C)C1 ZINC000343990824 391639042 /nfs/dbraw/zinc/63/90/42/391639042.db2.gz KDTUOBXKTLEZMT-DGCLKSJQSA-N 1 0 296.371 1.520 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000189304810 129950615 /nfs/dbraw/zinc/95/06/15/129950615.db2.gz ATOJFIGMAZDOTO-GXSJLCMTSA-N 1 0 263.297 1.465 20 5 CDBDRO C[C@H](CO)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293589901 391695158 /nfs/dbraw/zinc/69/51/58/391695158.db2.gz FIYCTQMUXLLGRZ-IUCAKERBSA-N 1 0 253.302 1.456 20 5 CDBDRO Cc1c(C[N@@H+](C[C@@H](C)O)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000190905003 130160552 /nfs/dbraw/zinc/16/05/52/130160552.db2.gz QKVWHAPTJBNZSI-WDEREUQCSA-N 1 0 282.340 1.467 20 5 CDBDRO CC[C@@]1(CO)CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000189662459 391783555 /nfs/dbraw/zinc/78/35/55/391783555.db2.gz WERJJTJXAQOFBQ-GJZGRUSLSA-N 1 0 294.351 1.865 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000153267451 391933409 /nfs/dbraw/zinc/93/34/09/391933409.db2.gz FWLLLIHMPYMIAH-SECBINFHSA-N 1 0 293.327 1.065 20 5 CDBDRO C[C@H](O)CCC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000574204781 391873859 /nfs/dbraw/zinc/87/38/59/391873859.db2.gz MPNJQDYPOBALDA-RYUDHWBXSA-N 1 0 298.339 1.085 20 5 CDBDRO CC(C)[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267102643 392072311 /nfs/dbraw/zinc/07/23/11/392072311.db2.gz UPUUUQVWVAFJPJ-LLVKDONJSA-N 1 0 252.318 1.912 20 5 CDBDRO CCC(CC)(C[NH3+])NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000236749864 130972211 /nfs/dbraw/zinc/97/22/11/130972211.db2.gz GDCWJLJIZMGCMZ-UHFFFAOYSA-N 1 0 295.339 1.607 20 5 CDBDRO CN(C(=O)CNc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000237077708 131002566 /nfs/dbraw/zinc/00/25/66/131002566.db2.gz HGJIAQOUYKAEEY-UHFFFAOYSA-N 1 0 292.339 1.217 20 5 CDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCC[C@H]1CC[NH2+]C1 ZINC000262566347 131234140 /nfs/dbraw/zinc/23/41/40/131234140.db2.gz DFVJGKYBVQLNMR-CYBMUJFWSA-N 1 0 291.351 1.643 20 5 CDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000262604258 131240201 /nfs/dbraw/zinc/24/02/01/131240201.db2.gz AXWNAWKRWASGRK-ZDUSSCGKSA-N 1 0 280.328 1.280 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000262701824 131252065 /nfs/dbraw/zinc/25/20/65/131252065.db2.gz AVBSLECRJFCNMS-FZMZJTMJSA-N 1 0 291.351 1.642 20 5 CDBDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000298560215 392721823 /nfs/dbraw/zinc/72/18/23/392721823.db2.gz IOAYJZYAWUSSHT-VIFPVBQESA-N 1 0 251.286 1.209 20 5 CDBDRO C[N@@H+]1CCC[C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000523676187 392892095 /nfs/dbraw/zinc/89/20/95/392892095.db2.gz PVNNGFRHCZRUHF-LBPRGKRZSA-N 1 0 263.297 1.305 20 5 CDBDRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000419812897 392897705 /nfs/dbraw/zinc/89/77/05/392897705.db2.gz IJMQNAFAESFMSV-YPMHNXCESA-N 1 0 298.339 1.215 20 5 CDBDRO Cc1nc(N(C)CC(C)(C)C[NH3+])ncc1[N+](=O)[O-] ZINC000420212101 392905405 /nfs/dbraw/zinc/90/54/05/392905405.db2.gz WRDMMSMVKCNDMG-UHFFFAOYSA-N 1 0 253.306 1.114 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000521626809 392869036 /nfs/dbraw/zinc/86/90/36/392869036.db2.gz LYYPCGOKIJGIRN-MRVPVSSYSA-N 1 0 295.295 1.181 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)NCC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000417821072 392874088 /nfs/dbraw/zinc/87/40/88/392874088.db2.gz DERVQNOYOLYCPM-JTQLQIEISA-N 1 0 292.339 1.483 20 5 CDBDRO CN(CCOc1ccccc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000420330017 392918135 /nfs/dbraw/zinc/91/81/35/392918135.db2.gz KXOIPEYMUIQOMQ-UHFFFAOYSA-N 1 0 265.313 1.395 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000269138599 132119193 /nfs/dbraw/zinc/11/91/93/132119193.db2.gz SWZWUWWZCIVNKK-LBPRGKRZSA-N 1 0 277.324 1.348 20 5 CDBDRO Cc1c(CC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000423622904 392966187 /nfs/dbraw/zinc/96/61/87/392966187.db2.gz ZQHIYMANGSLCDJ-RYUDHWBXSA-N 1 0 291.351 1.655 20 5 CDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425059731 392985230 /nfs/dbraw/zinc/98/52/30/392985230.db2.gz SMOYUQXPNFCREJ-GXSJLCMTSA-N 1 0 295.364 1.823 20 5 CDBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000430255444 393094788 /nfs/dbraw/zinc/09/47/88/393094788.db2.gz FGOWKRUXIUEWCM-OAHLLOKOSA-N 1 0 291.351 1.861 20 5 CDBDRO C[C@@](C[NH3+])(NCc1csc([N+](=O)[O-])c1)C1CC1 ZINC000430563486 393100531 /nfs/dbraw/zinc/10/05/31/393100531.db2.gz WEQWUIYNEOSSRB-NSHDSACASA-N 1 0 255.343 1.873 20 5 CDBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000430630833 393102530 /nfs/dbraw/zinc/10/25/30/393102530.db2.gz SQAHXKJPFIZPHX-WDEREUQCSA-N 1 0 292.339 1.263 20 5 CDBDRO COC[C@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000449701928 393138771 /nfs/dbraw/zinc/13/87/71/393138771.db2.gz RJPJUHOUZLVYQK-CQSZACIVSA-N 1 0 280.324 1.426 20 5 CDBDRO Cc1cc(N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000275431945 135106960 /nfs/dbraw/zinc/10/69/60/135106960.db2.gz VLHNSDWKNXXYJO-QWHCGFSZSA-N 1 0 293.367 1.795 20 5 CDBDRO CCOc1cc(NC[C@@](C)(O)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000228668593 140196514 /nfs/dbraw/zinc/19/65/14/140196514.db2.gz BUMHLEZGHUWKHF-CQSZACIVSA-N 1 0 297.355 1.718 20 5 CDBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000232975118 140226174 /nfs/dbraw/zinc/22/61/74/140226174.db2.gz SKETWQIXGHUREC-NSHDSACASA-N 1 0 280.328 1.431 20 5 CDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000238130899 140262514 /nfs/dbraw/zinc/26/25/14/140262514.db2.gz GJCBKWLWDRXYOO-UHFFFAOYSA-N 1 0 292.339 1.123 20 5 CDBDRO O=[N+]([O-])c1cccnc1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252667533 140321340 /nfs/dbraw/zinc/32/13/40/140321340.db2.gz LBJPOVMQVYBFOY-QWRGUYRKSA-N 1 0 278.312 1.265 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261599419 140361054 /nfs/dbraw/zinc/36/10/54/140361054.db2.gz PPFLJGOIBGPVEB-LDYMZIIASA-N 1 0 264.285 1.548 20 5 CDBDRO C[C@H]1[C@H]([NH3+])CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000261611041 140363780 /nfs/dbraw/zinc/36/37/80/140363780.db2.gz SKWCDYSMOWLVQL-GXSJLCMTSA-N 1 0 263.297 1.085 20 5 CDBDRO CCCN(c1c([N+](=O)[O-])nc(C)n1CC)[C@@H]1CC[NH2+]C1 ZINC000261623144 140364318 /nfs/dbraw/zinc/36/43/18/140364318.db2.gz AFXQTVFHRCVKMS-LLVKDONJSA-N 1 0 281.360 1.698 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261707763 140378467 /nfs/dbraw/zinc/37/84/67/140378467.db2.gz OYDYZTNRPXDQMA-DGCLKSJQSA-N 1 0 291.351 1.645 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)c(F)c1 ZINC000261843228 140397935 /nfs/dbraw/zinc/39/79/35/140397935.db2.gz VYHATJOITMESDJ-CMPLNLGQSA-N 1 0 279.315 1.775 20 5 CDBDRO COc1ccc(OCCN2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000261886232 140403490 /nfs/dbraw/zinc/40/34/90/140403490.db2.gz RZFLHUODNLSILJ-LLVKDONJSA-N 1 0 295.339 1.276 20 5 CDBDRO C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000135221837 397910075 /nfs/dbraw/zinc/91/00/75/397910075.db2.gz XLTFHRUUUMWMND-UWVGGRQHSA-N 1 0 295.314 1.852 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000361067512 397910413 /nfs/dbraw/zinc/91/04/13/397910413.db2.gz NSZXJZPRYKVGLL-ZYHUDNBSSA-N 1 0 262.313 1.520 20 5 CDBDRO COc1cc(C[N@@H+]2CC[C@H](CO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000488744939 398133423 /nfs/dbraw/zinc/13/34/23/398133423.db2.gz AJKAOAVQKFDZSW-ZYHUDNBSSA-N 1 0 280.324 1.806 20 5 CDBDRO CC[NH+](CC)CCC[C@H](C)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000076266993 146908216 /nfs/dbraw/zinc/90/82/16/146908216.db2.gz UQZJUDPIMLRUPZ-JTQLQIEISA-N 1 0 296.375 1.889 20 5 CDBDRO Cc1ccc(NC(=O)C[C@H]2CSCC[NH2+]2)cc1[N+](=O)[O-] ZINC000091134178 146971273 /nfs/dbraw/zinc/97/12/73/146971273.db2.gz JXJCYKQBODVAGX-NSHDSACASA-N 1 0 295.364 1.937 20 5 CDBDRO CCc1nn(C)c(N2CCC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000091575987 146985874 /nfs/dbraw/zinc/98/58/74/146985874.db2.gz PDDKIXZBCCTIBF-SECBINFHSA-N 1 0 267.333 1.066 20 5 CDBDRO CCc1nn(C)c(N2CCC[C@@H](CC[NH3+])C2)c1[N+](=O)[O-] ZINC000091562149 146985982 /nfs/dbraw/zinc/98/59/82/146985982.db2.gz ROSCVLIBGMEFHY-JTQLQIEISA-N 1 0 281.360 1.456 20 5 CDBDRO CCO[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000182036581 148237443 /nfs/dbraw/zinc/23/74/43/148237443.db2.gz GTGWNUPCACJNFS-CHWSQXEVSA-N 1 0 294.355 1.729 20 5 CDBDRO CS(=O)(=O)c1ccc(NCC2([NH3+])CCC2)c([N+](=O)[O-])c1 ZINC000235031887 148699679 /nfs/dbraw/zinc/69/96/79/148699679.db2.gz YSHWCNCPVGLWHA-UHFFFAOYSA-N 1 0 299.352 1.292 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000262016916 149002217 /nfs/dbraw/zinc/00/22/17/149002217.db2.gz RHUBVTMHFDOFFE-ZJUUUORDSA-N 1 0 293.323 1.413 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000262016913 149002331 /nfs/dbraw/zinc/00/23/31/149002331.db2.gz RHUBVTMHFDOFFE-VHSXEESVSA-N 1 0 293.323 1.413 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[NH2+]C1 ZINC000262226780 149036902 /nfs/dbraw/zinc/03/69/02/149036902.db2.gz VAHWOXCLMSQAIS-NSHDSACASA-N 1 0 265.313 1.445 20 5 CDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C1C[NH2+]C1 ZINC000262272582 149044166 /nfs/dbraw/zinc/04/41/66/149044166.db2.gz UCOUHAYVENAVBM-UHFFFAOYSA-N 1 0 277.324 1.551 20 5 CDBDRO CC(C)[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000311974341 149224453 /nfs/dbraw/zinc/22/44/53/149224453.db2.gz KLKBVMVXRFUYLE-ZDUSSCGKSA-N 1 0 265.313 1.584 20 5 CDBDRO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)C[NH+](C)C ZINC000312550200 149234784 /nfs/dbraw/zinc/23/47/84/149234784.db2.gz RSZMAUMRJVQJEK-SECBINFHSA-N 1 0 280.328 1.105 20 5 CDBDRO C[C@H](CC(N)=O)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000343097391 152029605 /nfs/dbraw/zinc/02/96/05/152029605.db2.gz PQZQFJXNMIUXAH-MFKMUULPSA-N 1 0 291.351 1.769 20 5 CDBDRO COc1cc(CN(C)[C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000347007773 153377331 /nfs/dbraw/zinc/37/73/31/153377331.db2.gz DLYGIJHAYCEINB-VIFPVBQESA-N 1 0 283.328 1.391 20 5 CDBDRO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H](C)O ZINC000352214229 155029751 /nfs/dbraw/zinc/02/97/51/155029751.db2.gz YPKAYSVCKZFDNS-VIFPVBQESA-N 1 0 278.312 1.674 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](CO)c2cccc(F)c2)n1 ZINC000359531180 158279301 /nfs/dbraw/zinc/27/93/01/158279301.db2.gz ONXIWKGRUNKGJY-GFCCVEGCSA-N 1 0 294.286 1.254 20 5 CDBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000359741386 158358095 /nfs/dbraw/zinc/35/80/95/158358095.db2.gz DZDZONUHROUSFP-JTQLQIEISA-N 1 0 297.359 1.179 20 5 CDBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000359760510 158365722 /nfs/dbraw/zinc/36/57/22/158365722.db2.gz GQFXQAGDZXKTGF-NSHDSACASA-N 1 0 297.359 1.028 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CO)C(C)C ZINC000359842256 158396159 /nfs/dbraw/zinc/39/61/59/158396159.db2.gz POSYZVYVXWKSOW-ZDUSSCGKSA-N 1 0 295.339 1.448 20 5 CDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000367128297 159440470 /nfs/dbraw/zinc/44/04/70/159440470.db2.gz ZCZGBWQLQYTEGW-STQMWFEESA-N 1 0 293.371 1.350 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000349983939 163801602 /nfs/dbraw/zinc/80/16/02/163801602.db2.gz CQQQZRNRAGACOP-SSDOTTSWSA-N 1 0 271.704 1.715 20 5 CDBDRO CC[NH+](CC)CCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000005453088 170100108 /nfs/dbraw/zinc/10/01/08/170100108.db2.gz DKWGBKJZAAPJOE-UHFFFAOYSA-N 1 0 269.301 1.650 20 5 CDBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285111471 196199187 /nfs/dbraw/zinc/19/91/87/196199187.db2.gz HXPNWBZDDNZKFU-JTQLQIEISA-N 1 0 295.343 1.168 20 5 CDBDRO C[C@H](CC[S@](C)=O)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285356300 196259617 /nfs/dbraw/zinc/25/96/17/196259617.db2.gz VKXJPHORTFYTDO-ZLMDCXFVSA-N 1 0 299.396 1.985 20 5 CDBDRO Nc1c(C(=O)N2CCCC[C@H]2CC[NH3+])cccc1[N+](=O)[O-] ZINC000285761032 196391022 /nfs/dbraw/zinc/39/10/22/196391022.db2.gz ADGLZHROCQLALT-JTQLQIEISA-N 1 0 292.339 1.521 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000038049238 174059799 /nfs/dbraw/zinc/05/97/99/174059799.db2.gz MGSGSUIDDVWSQB-HTQZYQBOSA-N 1 0 269.326 1.656 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000044501860 175185873 /nfs/dbraw/zinc/18/58/73/175185873.db2.gz KDJWTYXDWTXECN-SECBINFHSA-N 1 0 297.742 1.978 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000044563118 175206317 /nfs/dbraw/zinc/20/63/17/175206317.db2.gz DBYLDBUOXWTCBK-JTQLQIEISA-N 1 0 250.302 1.886 20 5 CDBDRO C[NH2+]C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C)C1 ZINC000071147801 176044157 /nfs/dbraw/zinc/04/41/57/176044157.db2.gz KUIUDAJNMBBGBG-SNVBAGLBSA-N 1 0 250.302 1.344 20 5 CDBDRO CCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000071312456 176119255 /nfs/dbraw/zinc/11/92/55/176119255.db2.gz BXRWEACNQZFFCB-JTQLQIEISA-N 1 0 281.287 1.558 20 5 CDBDRO CCN(CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000071314016 176120324 /nfs/dbraw/zinc/12/03/24/176120324.db2.gz FTXXUFVVOJNVOA-CQSZACIVSA-N 1 0 263.341 1.821 20 5 CDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000078727934 177377400 /nfs/dbraw/zinc/37/74/00/177377400.db2.gz SMJFPJHBGOQQRI-GFCCVEGCSA-N 1 0 298.339 1.037 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC[C@H]1C[NH2+]CCN1C ZINC000394744688 270338680 /nfs/dbraw/zinc/33/86/80/270338680.db2.gz PKHQKEIZGHRCRS-LLVKDONJSA-N 1 0 264.329 1.219 20 5 CDBDRO CN1CC[NH2+]C[C@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000394803545 270339027 /nfs/dbraw/zinc/33/90/27/270339027.db2.gz GKKLJQWYDGKORA-VIFPVBQESA-N 1 0 268.292 1.049 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000313289305 260278945 /nfs/dbraw/zinc/27/89/45/260278945.db2.gz FMWHRSGGFNUIIH-TVRMLOFPSA-N 1 0 277.324 1.852 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000320761202 265027626 /nfs/dbraw/zinc/02/76/26/265027626.db2.gz BLRLEFIRACAMML-IAYMVZNDSA-N 1 0 277.324 1.850 20 5 CDBDRO CCOc1cc(NC[C@H]2C[NH2+]CCN2C)ccc1[N+](=O)[O-] ZINC000394827480 270339371 /nfs/dbraw/zinc/33/93/71/270339371.db2.gz SAOGPJNGUQPVTI-GFCCVEGCSA-N 1 0 294.355 1.309 20 5 CDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261558656 273501660 /nfs/dbraw/zinc/50/16/60/273501660.db2.gz FSSRBQLIBAWKNW-NSHDSACASA-N 1 0 265.313 1.698 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CC([NH+](C)C)C2)c1 ZINC000273353970 274117919 /nfs/dbraw/zinc/11/79/19/274117919.db2.gz VQMFBLSHVCOBJR-UHFFFAOYSA-N 1 0 251.286 1.354 20 5 CDBDRO C[C@@H]1C[NH2+]CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000262052289 274376401 /nfs/dbraw/zinc/37/64/01/274376401.db2.gz VCKYJYFPTAQPRV-SSDOTTSWSA-N 1 0 279.325 1.398 20 5 CDBDRO CC(=O)c1ccc(N2CCC([NH3+])(CO)CC2)c([N+](=O)[O-])c1 ZINC000301284279 275503722 /nfs/dbraw/zinc/50/37/22/275503722.db2.gz NRARKJBDVJJRSL-UHFFFAOYSA-N 1 0 293.323 1.087 20 5 CDBDRO CC1(C)CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000159502061 275842178 /nfs/dbraw/zinc/84/21/78/275842178.db2.gz OVFLAWZEBGSUAC-UHFFFAOYSA-N 1 0 281.287 1.558 20 5 CDBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H](C)C1 ZINC000344420108 276240478 /nfs/dbraw/zinc/24/04/78/276240478.db2.gz JZFZKZYHVDUHOZ-PHIMTYICSA-N 1 0 294.355 1.488 20 5 CDBDRO C[N@@H+]1CCO[C@@H]2CN(c3c(F)cccc3[N+](=O)[O-])C[C@H]21 ZINC000357625389 277124375 /nfs/dbraw/zinc/12/43/75/277124375.db2.gz VXZBVRCRLDQYOL-VXGBXAGGSA-N 1 0 281.287 1.253 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269223006 277273437 /nfs/dbraw/zinc/27/34/37/277273437.db2.gz CCWJQFXMRHGFAU-MRVPVSSYSA-N 1 0 285.731 1.720 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000133274769 277279380 /nfs/dbraw/zinc/27/93/80/277279380.db2.gz AUNRLRDBZNEROX-QMMMGPOBSA-N 1 0 281.341 1.492 20 5 CDBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH3+])cc1SC ZINC000274474129 277389188 /nfs/dbraw/zinc/38/91/88/277389188.db2.gz YIQUWSLFEWTGHZ-SSDOTTSWSA-N 1 0 299.352 1.402 20 5 CDBDRO C[C@H](O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000131129012 278296223 /nfs/dbraw/zinc/29/62/23/278296223.db2.gz QMRMDVJFVBKQAY-GXFFZTMASA-N 1 0 264.325 1.886 20 5 CDBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C ZINC000036793939 278379001 /nfs/dbraw/zinc/37/90/01/278379001.db2.gz JNSXDVZADBHNRN-NXEZZACHSA-N 1 0 265.313 1.722 20 5 CDBDRO Cc1ccnc(N2CCC[C@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000227077988 278984677 /nfs/dbraw/zinc/98/46/77/278984677.db2.gz FUVXGBANFQBEND-QWRGUYRKSA-N 1 0 264.329 1.862 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000261594566 279159005 /nfs/dbraw/zinc/15/90/05/279159005.db2.gz ZWMVXNNQDCTWPD-NSHDSACASA-N 1 0 270.720 1.818 20 5 CDBDRO Cc1nn(C)c(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000133627443 279199266 /nfs/dbraw/zinc/19/92/66/279199266.db2.gz RXWNYEIDPBRKND-NEPJUHHUSA-N 1 0 293.371 1.557 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000067592186 279203287 /nfs/dbraw/zinc/20/32/87/279203287.db2.gz UMXFFDGXXWLKND-CQSZACIVSA-N 1 0 291.351 1.973 20 5 CDBDRO Cc1ccc(C[NH2+]C(C)(C)C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000108422361 279306714 /nfs/dbraw/zinc/30/67/14/279306714.db2.gz RHHJWTNSBIRNQX-UHFFFAOYSA-N 1 0 279.340 1.860 20 5 CDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000189314034 280048780 /nfs/dbraw/zinc/04/87/80/280048780.db2.gz VBBAPXCGWDOBLB-PRHODGIISA-N 1 0 281.287 1.604 20 5 CDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[NH2+]1 ZINC000211394152 280085792 /nfs/dbraw/zinc/08/57/92/280085792.db2.gz AOMCUVWORDESAD-ZHRWSRJISA-N 1 0 275.308 1.476 20 5 CDBDRO COC(=O)c1cc(NC(=O)C(C)(C)C[NH3+])cc([N+](=O)[O-])c1 ZINC000237141810 280160187 /nfs/dbraw/zinc/16/01/87/280160187.db2.gz MJERWSDQHOEXIB-UHFFFAOYSA-N 1 0 295.295 1.305 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000237321149 280171086 /nfs/dbraw/zinc/17/10/86/280171086.db2.gz KWFHKFGTLMHXOC-DFVUYQKZSA-N 1 0 295.314 1.719 20 5 CDBDRO Cc1n[nH]c(C(=O)N[C@@](C)(C[NH3+])CC(C)C)c1[N+](=O)[O-] ZINC000269308342 280190341 /nfs/dbraw/zinc/19/03/41/280190341.db2.gz ZPEDBBDOGYWWHS-GFCCVEGCSA-N 1 0 283.332 1.120 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000044540735 281016250 /nfs/dbraw/zinc/01/62/50/281016250.db2.gz UPKWGTWAMFCHJG-LBPRGKRZSA-N 1 0 277.324 1.857 20 5 CDBDRO CC(C)([NH3+])CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255347259 289367575 /nfs/dbraw/zinc/36/75/75/289367575.db2.gz ZJDMLUXQTJSENK-YVMONPNESA-N 1 0 263.297 1.462 20 5 CDBDRO COC[C@](C)(O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000553473508 290120954 /nfs/dbraw/zinc/12/09/54/290120954.db2.gz GBQNDGRIIXBTTQ-BRLPQQTGSA-N 1 0 280.324 1.595 20 5 CDBDRO CC(C)(CNC(=O)c1c[nH]nc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000555310476 290213817 /nfs/dbraw/zinc/21/38/17/290213817.db2.gz QJGJMDYEAOIEPH-UHFFFAOYSA-N 1 0 295.343 1.170 20 5 CDBDRO CC[N@H+](C)C[C@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000570354187 294223082 /nfs/dbraw/zinc/22/30/82/294223082.db2.gz VJFMKYGYXBXGFH-TZMCWYRMSA-N 1 0 295.383 1.866 20 5 CDBDRO COC[C@H](C)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572511699 294637892 /nfs/dbraw/zinc/63/78/92/294637892.db2.gz MJFUEFVLLZNFFK-VXGBXAGGSA-N 1 0 298.339 1.207 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000573322137 294794777 /nfs/dbraw/zinc/79/47/77/294794777.db2.gz PTFGPLZUSZHJOL-VIFPVBQESA-N 1 0 281.312 1.189 20 5 CDBDRO CC/C=C\C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000563529888 316325308 /nfs/dbraw/zinc/32/53/08/316325308.db2.gz KCSSHNPSZLCBJK-DHCBQETCSA-N 1 0 280.324 1.890 20 5 CDBDRO C[C@@]1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000566098311 316475106 /nfs/dbraw/zinc/47/51/06/316475106.db2.gz ZJOSLQUYVRZLCN-CQSZACIVSA-N 1 0 293.323 1.089 20 5 CDBDRO CC(=O)N1CC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000578026318 317456292 /nfs/dbraw/zinc/45/62/92/317456292.db2.gz PIGLDMLRVUIKTB-SNVBAGLBSA-N 1 0 277.324 1.785 20 5 CDBDRO CC(C)Oc1nc(N2CC([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000578143650 317480738 /nfs/dbraw/zinc/48/07/38/317480738.db2.gz XIDITTFHVARCGU-UHFFFAOYSA-N 1 0 280.328 1.527 20 5 CDBDRO CCOC(=O)C[C@@H](C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000182658011 323292206 /nfs/dbraw/zinc/29/22/06/323292206.db2.gz SVBPIRLAAPKRHC-SNVBAGLBSA-N 1 0 284.316 1.065 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000382454722 323641597 /nfs/dbraw/zinc/64/15/97/323641597.db2.gz PMUHXWGGLOMVJL-ZJUUUORDSA-N 1 0 299.352 1.001 20 5 CDBDRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000388765182 323795259 /nfs/dbraw/zinc/79/52/59/323795259.db2.gz FITCDTRVZQKMEI-RTXFEEFZSA-N 1 0 282.344 1.321 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2ncn(CC[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000396658559 323855163 /nfs/dbraw/zinc/85/51/63/323855163.db2.gz RQFFWDIMYLJNOJ-NSHDSACASA-N 1 0 287.323 1.853 20 5 CDBDRO COc1cc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc([N+](=O)[O-])c1C ZINC000579356778 324166571 /nfs/dbraw/zinc/16/65/71/324166571.db2.gz OKCWNMCWLBLGPW-BDAKNGLRSA-N 1 0 295.339 1.767 20 5 CDBDRO COc1cccc(C(=O)N2CC[C@@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC000579826351 324290886 /nfs/dbraw/zinc/29/08/86/324290886.db2.gz JZMMAYIBRLXCLX-AWEZNQCLSA-N 1 0 293.323 1.414 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CCCC[NH3+] ZINC000583378673 325163461 /nfs/dbraw/zinc/16/34/61/325163461.db2.gz FPLYJUPYTVRNSV-UHFFFAOYSA-N 1 0 281.312 1.349 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000584114616 327041478 /nfs/dbraw/zinc/04/14/78/327041478.db2.gz HWIRSKICFCNUKW-UWVGGRQHSA-N 1 0 281.312 1.216 20 5 CDBDRO Cc1nc(N[C@H]2C[NH2+]CC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000584282288 327216082 /nfs/dbraw/zinc/21/60/82/327216082.db2.gz WEIDRKJTAPZCGL-CBAPKCEASA-N 1 0 251.290 1.103 20 5 CDBDRO CC[C@H](C)[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000049093617 521937342 /nfs/dbraw/zinc/93/73/42/521937342.db2.gz DAPDXTFEZORUNO-NHCYSSNCSA-N 1 0 270.333 1.176 20 5 CDBDRO [NH3+][C@@H]1CCN(c2ccc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001156229329 1161990345 /nfs/dbraw/zinc/99/03/45/1161990345.db2.gz ZBXQLHPPVKQGAW-SNVBAGLBSA-N 1 0 258.281 1.680 20 5 CDBDRO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000153287464 534303363 /nfs/dbraw/zinc/30/33/63/534303363.db2.gz ZAUWGNKBKPHHJX-TXEJJXNPSA-N 1 0 291.351 1.736 20 5 CDBDRO CC(C)(C)[C@H](CCO)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000183674651 518956273 /nfs/dbraw/zinc/95/62/73/518956273.db2.gz WEYXCNWOASAFJD-NSHDSACASA-N 1 0 270.333 1.178 20 5 CDBDRO CNc1c(C(=O)N[C@@H](C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000161466404 522539397 /nfs/dbraw/zinc/53/93/97/522539397.db2.gz AMISDOLBXPZOSP-JTQLQIEISA-N 1 0 294.355 1.707 20 5 CDBDRO COCC[NH2+]CCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000234668904 523939367 /nfs/dbraw/zinc/93/93/67/523939367.db2.gz ISXPTPBMNBYMOK-UHFFFAOYSA-N 1 0 273.720 1.896 20 5 CDBDRO CN(CC[NH+](C)C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183556405 524060429 /nfs/dbraw/zinc/06/04/29/524060429.db2.gz REBSBJUVDLZJBN-UHFFFAOYSA-N 1 0 267.289 1.015 20 5 CDBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246819823 524163536 /nfs/dbraw/zinc/16/35/36/524163536.db2.gz XBZXMWSTQASQBK-MRVWCRGKSA-N 1 0 296.371 1.663 20 5 CDBDRO C[C@H](C[NH+]1CCCCC1)Nc1ncc([N+](=O)[O-])cn1 ZINC000049502022 524334884 /nfs/dbraw/zinc/33/48/84/524334884.db2.gz IHBPFNDAMNBUDC-SNVBAGLBSA-N 1 0 265.317 1.671 20 5 CDBDRO COc1ccc(OCC[N@@H+]2C[C@@H](O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000340934663 524957944 /nfs/dbraw/zinc/95/79/44/524957944.db2.gz WPRPKBAFPXTJNQ-MNOVXSKESA-N 1 0 296.323 1.437 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000226780777 525022313 /nfs/dbraw/zinc/02/23/13/525022313.db2.gz QWRRTZHUWJWSKI-SFYZADRCSA-N 1 0 256.331 1.615 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@H](C)[NH3+] ZINC000063169915 525560727 /nfs/dbraw/zinc/56/07/27/525560727.db2.gz BVHLSFLXOKXLFH-VIFPVBQESA-N 1 0 251.286 1.370 20 5 CDBDRO Cc1ccc(C(=O)NCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000338428274 526163076 /nfs/dbraw/zinc/16/30/76/526163076.db2.gz XNVQGERENUMPPV-UHFFFAOYSA-N 1 0 279.340 1.973 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417931262 528522164 /nfs/dbraw/zinc/52/21/64/528522164.db2.gz BWKOAZCGAWXEBN-ZDUSSCGKSA-N 1 0 294.355 1.420 20 5 CDBDRO CC(C)(C(=O)N1CCC([NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000269110214 535010994 /nfs/dbraw/zinc/01/09/94/535010994.db2.gz INPZKGDFVLFPRS-UHFFFAOYSA-N 1 0 291.351 1.822 20 5 CDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000262619192 535308498 /nfs/dbraw/zinc/30/84/98/535308498.db2.gz ILWPAXBJXNESCD-CYBMUJFWSA-N 1 0 280.328 1.280 20 5 CDBDRO CC[C@H](NC(=O)[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000237038671 535851627 /nfs/dbraw/zinc/85/16/27/535851627.db2.gz MBWUYRKDJYGXRD-AAEUAGOBSA-N 1 0 277.324 1.772 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261863455 535969153 /nfs/dbraw/zinc/96/91/53/535969153.db2.gz YCEIAXGUYWRCSN-MNOVXSKESA-N 1 0 279.344 1.308 20 5 CDBDRO CCc1nn(C)c(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000226881185 536182480 /nfs/dbraw/zinc/18/24/80/536182480.db2.gz IKZDDDVTHUIHPB-VHSXEESVSA-N 1 0 281.360 1.785 20 5 CDBDRO CCc1nn(C)c(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000226881191 536182600 /nfs/dbraw/zinc/18/26/00/536182600.db2.gz IKZDDDVTHUIHPB-UWVGGRQHSA-N 1 0 281.360 1.785 20 5 CDBDRO COC(=O)c1cc(NC(=O)[C@@H](C)[C@@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000192005151 536551768 /nfs/dbraw/zinc/55/17/68/536551768.db2.gz WBIHWASALJLFQB-JGVFFNPUSA-N 1 0 295.295 1.303 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(c2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000733301816 575113797 /nfs/dbraw/zinc/11/37/97/575113797.db2.gz DKBNHBYEGVPQHR-LLVKDONJSA-N 1 0 289.339 1.630 20 5 CDBDRO C[NH+](C)C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000760511856 576490354 /nfs/dbraw/zinc/49/03/54/576490354.db2.gz KOWXDGQRCFQKKO-JTQLQIEISA-N 1 0 265.317 1.163 20 5 CDBDRO C[C@@H]([NH2+][C@@H](CO)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000763071531 576708852 /nfs/dbraw/zinc/70/88/52/576708852.db2.gz SAXRRBDOOKURJV-RNCFNFMXSA-N 1 0 293.323 1.282 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCn2cccn2)c1 ZINC000749695451 576958301 /nfs/dbraw/zinc/95/83/01/576958301.db2.gz ZZQSMZDPKVNRGP-ZDUSSCGKSA-N 1 0 276.296 1.115 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH+](C)C ZINC000124003807 1175287418 /nfs/dbraw/zinc/28/74/18/1175287418.db2.gz OGLSUDBBLGTPOV-VIFPVBQESA-N 1 0 280.328 1.316 20 5 CDBDRO COC(=O)C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000934032229 617878134 /nfs/dbraw/zinc/87/81/34/617878134.db2.gz PHVCVGBIEFBBTD-NSHDSACASA-N 1 0 298.343 1.359 20 5 CDBDRO CSC1(CNc2c([N+](=O)[O-])cnn2C)CC[NH+](C)CC1 ZINC000893911889 618169928 /nfs/dbraw/zinc/16/99/28/618169928.db2.gz VHCWTIGLHKWDEU-UHFFFAOYSA-N 1 0 299.400 1.568 20 5 CDBDRO C[N@@H+]1C[C@H]2CCN(c3ncnc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000893940750 618204068 /nfs/dbraw/zinc/20/40/68/618204068.db2.gz PPKLKTYMIFCJSU-QMTHXVAHSA-N 1 0 299.334 1.678 20 5 CDBDRO [NH3+]CCc1noc(COc2ccc([N+](=O)[O-])c(F)c2)n1 ZINC000843130517 618694265 /nfs/dbraw/zinc/69/42/65/618694265.db2.gz CPESDCVUFYANHM-UHFFFAOYSA-N 1 0 282.231 1.197 20 5 CDBDRO Cc1cnc(N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000895246423 619491397 /nfs/dbraw/zinc/49/13/97/619491397.db2.gz OOTRGYCENRVFSG-AAEUAGOBSA-N 1 0 293.371 1.344 20 5 CDBDRO COc1c(O)ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1[N+](=O)[O-] ZINC000895556422 619725829 /nfs/dbraw/zinc/72/58/29/619725829.db2.gz AQBKMGHHCVMIFU-AOOOYVTPSA-N 1 0 264.281 1.761 20 5 CDBDRO COc1c(O)ccc(C[N@H+](C)CC2(C)COC2)c1[N+](=O)[O-] ZINC000895581470 619744849 /nfs/dbraw/zinc/74/48/49/619744849.db2.gz OVHLAMYWZMGENG-UHFFFAOYSA-N 1 0 296.323 1.777 20 5 CDBDRO [NH3+][C@@H](CNCc1ccccc1[N+](=O)[O-])CC(F)F ZINC000903923250 626148422 /nfs/dbraw/zinc/14/84/22/626148422.db2.gz OVJPVKZCZYGXJS-SECBINFHSA-N 1 0 259.256 1.667 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000905149867 626660988 /nfs/dbraw/zinc/66/09/88/626660988.db2.gz VRPWIVXVRWECLJ-UHFFFAOYSA-N 1 0 283.294 1.517 20 5 CDBDRO C[C@@](O)(C[NH2+]CCc1cccc([N+](=O)[O-])c1)C(F)F ZINC000905187995 626667395 /nfs/dbraw/zinc/66/73/95/626667395.db2.gz HNTXGAJYZQESAM-GFCCVEGCSA-N 1 0 274.267 1.743 20 5 CDBDRO CC1(C)CN(c2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000149595822 628197426 /nfs/dbraw/zinc/19/74/26/628197426.db2.gz JVNSJTUVIPNIJD-UHFFFAOYSA-N 1 0 253.277 1.922 20 5 CDBDRO [NH3+]CC1(Cc2nc(Cc3ccccc3[N+](=O)[O-])no2)CC1 ZINC000841821022 630491451 /nfs/dbraw/zinc/49/14/51/630491451.db2.gz DRZRQZJUVOYUER-UHFFFAOYSA-N 1 0 288.307 1.850 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000707687760 1159024153 /nfs/dbraw/zinc/02/41/53/1159024153.db2.gz UOGMGOSQERRXSG-HZGVNTEJSA-N 1 0 256.693 1.806 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]CCCO)c([N+](=O)[O-])c1 ZINC001170298587 1162328777 /nfs/dbraw/zinc/32/87/77/1162328777.db2.gz MTHWJYJYFKDLLB-JTQLQIEISA-N 1 0 268.313 1.506 20 5 CDBDRO CCC1(Nc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C[NH2+]C1 ZINC001157785195 1162420350 /nfs/dbraw/zinc/42/03/50/1162420350.db2.gz UUJLFAMJMWHFAI-UHFFFAOYSA-N 1 0 272.692 1.046 20 5 CDBDRO [NH3+][C@H]1CCN(c2ccc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001156229328 1161990694 /nfs/dbraw/zinc/99/06/94/1161990694.db2.gz ZBXQLHPPVKQGAW-JTQLQIEISA-N 1 0 258.281 1.680 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)n1 ZINC001155483482 1167192684 /nfs/dbraw/zinc/19/26/84/1167192684.db2.gz NKOVXJDZEMSNPT-IJLUTSLNSA-N 1 0 292.339 1.253 20 5 CDBDRO Cc1ccnc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)c1[N+](=O)[O-] ZINC001155522218 1167211138 /nfs/dbraw/zinc/21/11/38/1167211138.db2.gz DQSJYEYEFNOYPV-UTUOFQBUSA-N 1 0 292.339 1.335 20 5 CDBDRO CCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000058234017 1167220251 /nfs/dbraw/zinc/22/02/51/1167220251.db2.gz YSAZTAPUGNJSDY-NSHDSACASA-N 1 0 293.323 1.184 20 5 CDBDRO Cc1cc(N[C@@H]2CC3(C[NH2+]C3)n3ccnc32)ccc1[N+](=O)[O-] ZINC001579635845 1172231852 /nfs/dbraw/zinc/23/18/52/1172231852.db2.gz LOWCMDXEVYOSDG-GFCCVEGCSA-N 1 0 299.334 1.955 20 5 CDBDRO [NH3+]C/C=C/CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001580280826 1172390995 /nfs/dbraw/zinc/39/09/95/1172390995.db2.gz RVBBNJOERSCHFW-OWOJBTEDSA-N 1 0 262.269 1.341 20 5 CDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001580322123 1172402551 /nfs/dbraw/zinc/40/25/51/1172402551.db2.gz ADKLWNLDCKHUIO-QMMMGPOBSA-N 1 0 299.277 1.826 20 5 CDBDRO [NH3+][C@@H]1CC[C@H](Cn2nnc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC001580389903 1172421216 /nfs/dbraw/zinc/42/12/16/1172421216.db2.gz WMUQFNKATVQPJG-VHSXEESVSA-N 1 0 288.311 1.376 20 5 CDBDRO O=C(N[C@H]1CC[NH2+]C[C@H]1F)c1cc([N+](=O)[O-])ccc1F ZINC001580616874 1172486008 /nfs/dbraw/zinc/48/60/08/1172486008.db2.gz NISDFBLHEYJMIM-MNOVXSKESA-N 1 0 285.250 1.164 20 5 CDBDRO CCCCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001754513730 1185653626 /nfs/dbraw/zinc/65/36/26/1185653626.db2.gz GJHLSORMISQVEG-GHMZBOCLSA-N 1 0 269.345 1.080 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CC[N@H+](C)C2)c1 ZINC000312382373 1186697893 /nfs/dbraw/zinc/69/78/93/1186697893.db2.gz NJSBDMSYOFROKA-JTQLQIEISA-N 1 0 280.280 1.464 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCC[C@@H]2O)cc1 ZINC000872225160 697654524 /nfs/dbraw/zinc/65/45/24/697654524.db2.gz ZLTPVWCCATVKED-AVGNSLFASA-N 1 0 266.297 1.131 20 5 CDBDRO CC(C)(O)C[NH+]1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000804415413 697678831 /nfs/dbraw/zinc/67/88/31/697678831.db2.gz FZYNLVMVVMEWEK-UHFFFAOYSA-N 1 0 294.355 1.070 20 5 CDBDRO CC1(C)CNC(=O)[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000931663288 697754344 /nfs/dbraw/zinc/75/43/44/697754344.db2.gz JOUKEHQQWWAHJN-LBPRGKRZSA-N 1 0 293.323 1.088 20 5 CDBDRO CC(C)(C[NH3+])NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000063020272 697756678 /nfs/dbraw/zinc/75/66/78/697756678.db2.gz AYNGUTBQPMHRQV-UHFFFAOYSA-N 1 0 271.704 1.715 20 5 CDBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+]1C ZINC000094774831 697777425 /nfs/dbraw/zinc/77/74/25/697777425.db2.gz DYFRPBQVEPCZJJ-SNVBAGLBSA-N 1 0 267.304 1.870 20 5 CDBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)NC ZINC000825315501 697804972 /nfs/dbraw/zinc/80/49/72/697804972.db2.gz CGUBFMXBIYUVTD-SNVBAGLBSA-N 1 0 285.731 1.862 20 5 CDBDRO Cc1sc(C(=O)N[C@H]2C[C@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000884352458 697840113 /nfs/dbraw/zinc/84/01/13/697840113.db2.gz IZZLZZYTZVQLON-UWVGGRQHSA-N 1 0 283.353 1.820 20 5 CDBDRO C[C@@H](c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1)[C@H](C)[NH3+] ZINC000822634159 697886188 /nfs/dbraw/zinc/88/61/88/697886188.db2.gz DXIYYGSGASKLDY-RQJHMYQMSA-N 1 0 277.284 1.678 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424029935 697887226 /nfs/dbraw/zinc/88/72/26/697887226.db2.gz QCHFTBOAAUVWGW-OAHLLOKOSA-N 1 0 289.335 1.492 20 5 CDBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000828987791 697894957 /nfs/dbraw/zinc/89/49/57/697894957.db2.gz LQJJKFGNVBXOOD-ABAIWWIYSA-N 1 0 289.335 1.938 20 5 CDBDRO C[C@@]1(O)CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000791632754 697913843 /nfs/dbraw/zinc/91/38/43/697913843.db2.gz RDRVAZGHNFOKAN-LSDHHAIUSA-N 1 0 294.351 1.865 20 5 CDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000128571812 697930762 /nfs/dbraw/zinc/93/07/62/697930762.db2.gz CVKNLZGNRGIONQ-NWDGAFQWSA-N 1 0 268.288 1.983 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c1[N+](=O)[O-] ZINC000843345876 697967259 /nfs/dbraw/zinc/96/72/59/697967259.db2.gz IFNWRBBQZLMHJS-BXKDBHETSA-N 1 0 295.314 1.852 20 5 CDBDRO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)cc1[N+](=O)[O-] ZINC000714035038 698021854 /nfs/dbraw/zinc/02/18/54/698021854.db2.gz DYDSEPNIFQAYHY-OCCSQVGLSA-N 1 0 280.324 1.221 20 5 CDBDRO C[N@H+](CC1CC1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964578 698042311 /nfs/dbraw/zinc/04/23/11/698042311.db2.gz PLFCZCXFPJSKKO-ZIAGYGMSSA-N 1 0 295.383 1.232 20 5 CDBDRO CC1([NH3+])CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886835991 698096724 /nfs/dbraw/zinc/09/67/24/698096724.db2.gz UFNLBKNPYCFWOI-UHFFFAOYSA-N 1 0 250.302 1.303 20 5 CDBDRO C[C@@H]1CC[C@@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000877832034 698247063 /nfs/dbraw/zinc/24/70/63/698247063.db2.gz FHHHEDBFUDAQGF-PZTHBURQSA-N 1 0 294.351 1.767 20 5 CDBDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886202760 698309315 /nfs/dbraw/zinc/30/93/15/698309315.db2.gz DOYJVOUKCZAKRJ-SCZZXKLOSA-N 1 0 253.327 1.831 20 5 CDBDRO CC(C)C[C@@H](O)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000226105936 698310352 /nfs/dbraw/zinc/31/03/52/698310352.db2.gz OKFJISPIEYMMEW-KGLIPLIRSA-N 1 0 282.340 1.625 20 5 CDBDRO [NH3+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000706540207 698330024 /nfs/dbraw/zinc/33/00/24/698330024.db2.gz YWGABNQKLNAENM-JTQLQIEISA-N 1 0 283.715 1.715 20 5 CDBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000883442042 698371236 /nfs/dbraw/zinc/37/12/36/698371236.db2.gz DDEJZJDGWMFWIW-NEPJUHHUSA-N 1 0 267.304 1.949 20 5 CDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)OCCCn1ccnc1 ZINC000784517785 698387769 /nfs/dbraw/zinc/38/77/69/698387769.db2.gz OEGBXBNADDJNEC-UHFFFAOYSA-N 1 0 291.267 1.016 20 5 CDBDRO COC(=O)[C@@H](C)C[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579240 698394058 /nfs/dbraw/zinc/39/40/58/698394058.db2.gz KGBNIQBQIZFRTI-GWCFXTLKSA-N 1 0 296.323 1.369 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1COC[C@H]1C ZINC000932495337 698613192 /nfs/dbraw/zinc/61/31/92/698613192.db2.gz ZYSDBMISLURYAS-ZWNOBZJWSA-N 1 0 293.323 1.466 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000843503573 698720684 /nfs/dbraw/zinc/72/06/84/698720684.db2.gz LIYGCVFHQUIHLJ-VHSXEESVSA-N 1 0 294.355 1.516 20 5 CDBDRO COc1ccc(CN2CC[C@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000415137004 698747796 /nfs/dbraw/zinc/74/77/96/698747796.db2.gz MUCHBJHRYPDFCU-OAHLLOKOSA-N 1 0 291.351 1.931 20 5 CDBDRO C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000819010429 698805066 /nfs/dbraw/zinc/80/50/66/698805066.db2.gz DBTPEOFZELYPBH-XHDPSFHLSA-N 1 0 293.367 1.701 20 5 CDBDRO Cc1cc(N2CC[C@@H]([C@@H](C)[NH3+])C2)ncc1[N+](=O)[O-] ZINC000127258703 698815012 /nfs/dbraw/zinc/81/50/12/698815012.db2.gz UCALGXHFANNVCW-NXEZZACHSA-N 1 0 250.302 1.472 20 5 CDBDRO CN(CC[NH3+])C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000054417470 698819341 /nfs/dbraw/zinc/81/93/41/698819341.db2.gz HXBOGCPPAYBQAT-UHFFFAOYSA-N 1 0 257.677 1.279 20 5 CDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000843449750 698884508 /nfs/dbraw/zinc/88/45/08/698884508.db2.gz XXHPVVAFHGJOSP-HFKOZYHYSA-N 1 0 295.726 1.615 20 5 CDBDRO Cc1c(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000877612728 698891278 /nfs/dbraw/zinc/89/12/78/698891278.db2.gz VSGYQNIEZORBEN-CQSZACIVSA-N 1 0 291.351 1.154 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000882483385 698951731 /nfs/dbraw/zinc/95/17/31/698951731.db2.gz ZFGOXLKOWXDMCE-LBPRGKRZSA-N 1 0 293.323 1.184 20 5 CDBDRO C[C@@H]([NH3+])c1cn(Cc2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC000881227459 698985845 /nfs/dbraw/zinc/98/58/45/698985845.db2.gz WZWOHVHIQWOTQS-SSDOTTSWSA-N 1 0 281.703 1.908 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H](CO)C2)cc1 ZINC000776272273 698998471 /nfs/dbraw/zinc/99/84/71/698998471.db2.gz SJMHCOUJQDWWAP-RISCZKNCSA-N 1 0 280.324 1.333 20 5 CDBDRO CN1CC[C@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000922574477 704822482 /nfs/dbraw/zinc/82/24/82/704822482.db2.gz NWFDTLISHWSKQP-BPJJOFIESA-N 1 0 261.325 1.902 20 5 CDBDRO C[NH+](C)CCCOC(=O)c1ccc([N+](=O)[O-])s1 ZINC000844259522 704830175 /nfs/dbraw/zinc/83/01/75/704830175.db2.gz ICACVEUUDJGSPY-UHFFFAOYSA-N 1 0 258.299 1.765 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NCCc1ccccc1[N+](=O)[O-] ZINC000925517099 704887781 /nfs/dbraw/zinc/88/77/81/704887781.db2.gz YVVBQPJNJXEWRL-AAEUAGOBSA-N 1 0 263.341 1.867 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@@H]([NH3+])C1CC1 ZINC000137319327 704889013 /nfs/dbraw/zinc/88/90/13/704889013.db2.gz RDEPZWUEGFAYHO-GFCCVEGCSA-N 1 0 277.324 1.681 20 5 CDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000320717495 704892977 /nfs/dbraw/zinc/89/29/77/704892977.db2.gz QTSZWKCQHIPNSG-YUMQZZPRSA-N 1 0 269.276 1.590 20 5 CDBDRO C[NH2+]C[C@H](C)c1noc(-c2ccc([N+](=O)[O-])n2C)n1 ZINC000842578076 705081215 /nfs/dbraw/zinc/08/12/15/705081215.db2.gz ZUKHITQCWJQXJB-ZETCQYMHSA-N 1 0 265.273 1.306 20 5 CDBDRO COc1cc(NCC[N@H+](C)CCO)c([N+](=O)[O-])cc1C ZINC000884825112 705091616 /nfs/dbraw/zinc/09/16/16/705091616.db2.gz FQEHBXTUWUJDLT-UHFFFAOYSA-N 1 0 283.328 1.248 20 5 CDBDRO CC(C)(O)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819242176 705166571 /nfs/dbraw/zinc/16/65/71/705166571.db2.gz BVASXHKLCFJIGS-LBPRGKRZSA-N 1 0 268.313 1.379 20 5 CDBDRO C[NH2+][C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000124105442 705168002 /nfs/dbraw/zinc/16/80/02/705168002.db2.gz YZGODSKLGRAIRW-SNVBAGLBSA-N 1 0 250.302 1.486 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1Cc1cccnc1[N+](=O)[O-] ZINC000923436881 705222620 /nfs/dbraw/zinc/22/26/20/705222620.db2.gz SXHDGOLQQTXPJJ-GARJFASQSA-N 1 0 264.329 1.561 20 5 CDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCOCCF)c1 ZINC000853134548 705279543 /nfs/dbraw/zinc/27/95/43/705279543.db2.gz WGVMQGAMFSJCAL-LBPRGKRZSA-N 1 0 272.276 1.204 20 5 CDBDRO CC(C)C[NH+]1CCN(c2cccc([N+](=O)[O-])n2)CC1 ZINC001164652407 719330506 /nfs/dbraw/zinc/33/05/06/719330506.db2.gz LOWHDICOZFWELR-UHFFFAOYSA-N 1 0 264.329 1.768 20 5 CDBDRO [NH3+]C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000050249755 848036759 /nfs/dbraw/zinc/03/67/59/848036759.db2.gz ZULWDPZZYVCYKD-JTQLQIEISA-N 1 0 272.308 1.928 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H](C(C)C)[NH+](C)C ZINC000789802097 848044640 /nfs/dbraw/zinc/04/46/40/848044640.db2.gz UBBMJDMHNGSFLZ-LBPRGKRZSA-N 1 0 298.343 1.229 20 5 CDBDRO CCCCN(C)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819055953 848050887 /nfs/dbraw/zinc/05/08/87/848050887.db2.gz ILQNQSYVZYTJQP-HNNXBMFYSA-N 1 0 295.383 1.950 20 5 CDBDRO [NH3+][C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000129244411 848066368 /nfs/dbraw/zinc/06/63/68/848066368.db2.gz ILWVDTPALYMWFS-NSHDSACASA-N 1 0 264.285 1.454 20 5 CDBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)C[C@H]2CCCO2)cs1 ZINC000886228738 848087976 /nfs/dbraw/zinc/08/79/76/848087976.db2.gz FKWZLMJJYVOXCB-WDEREUQCSA-N 1 0 286.353 1.676 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886346076 848113694 /nfs/dbraw/zinc/11/36/94/848113694.db2.gz AEQSMHMUTQUEIT-GRYCIOLGSA-N 1 0 278.308 1.286 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCCCO2)cc1 ZINC000105908940 848152867 /nfs/dbraw/zinc/15/28/67/848152867.db2.gz XVOQBADYVQEFKN-ZIAGYGMSSA-N 1 0 280.324 1.787 20 5 CDBDRO Cc1nn(CN2CCC[C@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000789509882 848201009 /nfs/dbraw/zinc/20/10/09/848201009.db2.gz WFMAHJRCDZIOOB-AAEUAGOBSA-N 1 0 280.328 1.701 20 5 CDBDRO COc1cccc(C[C@@H]2CCC[N@@H+]2CC[N+](=O)[O-])c1 ZINC000929313619 848237214 /nfs/dbraw/zinc/23/72/14/848237214.db2.gz DVOGOVIVYSREDH-ZDUSSCGKSA-N 1 0 264.325 1.979 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1CC[NH2+]C1 ZINC000841233279 848363174 /nfs/dbraw/zinc/36/31/74/848363174.db2.gz PWAHOPORQDKTBN-SSDOTTSWSA-N 1 0 284.703 1.732 20 5 CDBDRO O=[N+]([O-])CCN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000931492772 848477248 /nfs/dbraw/zinc/47/72/48/848477248.db2.gz FNWAPFXJZHRNGS-KBPBESRZSA-N 1 0 261.325 1.222 20 5 CDBDRO C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817977463 848519533 /nfs/dbraw/zinc/51/95/33/848519533.db2.gz KSTSDTBWAMYAMK-PZWLIILKSA-N 1 0 262.313 1.045 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000843452611 848533374 /nfs/dbraw/zinc/53/33/74/848533374.db2.gz KYVPNFIYWMOWAH-UHFFFAOYSA-N 1 0 292.339 1.149 20 5 CDBDRO CSCC(C)(C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000934674014 848547777 /nfs/dbraw/zinc/54/77/77/848547777.db2.gz YLIFMEXHAPWOTM-UHFFFAOYSA-N 1 0 297.380 1.925 20 5 CDBDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000162816395 848548924 /nfs/dbraw/zinc/54/89/24/848548924.db2.gz TUQUXGNKSJPYPM-ZJUUUORDSA-N 1 0 268.288 1.937 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCCC[C@@H]2O)cc1 ZINC000106059842 848641787 /nfs/dbraw/zinc/64/17/87/848641787.db2.gz SVAWUIVIJNMDQI-MELADBBJSA-N 1 0 280.324 1.521 20 5 CDBDRO [NH3+][C@@H](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000109504847 848643660 /nfs/dbraw/zinc/64/36/60/848643660.db2.gz STCKRLZLTYHSKV-NSHDSACASA-N 1 0 274.280 1.925 20 5 CDBDRO CCN1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H]1C ZINC000110696404 848797889 /nfs/dbraw/zinc/79/78/89/848797889.db2.gz NTYSEJKCVGRDQJ-SNVBAGLBSA-N 1 0 292.339 1.343 20 5 CDBDRO [NH3+][C@H]1C[C@H](c2nc(-c3ccc([N+](=O)[O-])s3)no2)C1 ZINC000854150276 848867402 /nfs/dbraw/zinc/86/74/02/848867402.db2.gz ICZUORDPUFLXBW-IZLXSQMJSA-N 1 0 266.282 1.911 20 5 CDBDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000791054212 848932373 /nfs/dbraw/zinc/93/23/73/848932373.db2.gz YSLYYYOWNITHDJ-NEPJUHHUSA-N 1 0 271.361 1.280 20 5 CDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843109023 848936115 /nfs/dbraw/zinc/93/61/15/848936115.db2.gz QPCWZLMIXMIUIK-YNEHKIRRSA-N 1 0 280.324 1.377 20 5 CDBDRO CO[C@H]1C[C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886229993 848942840 /nfs/dbraw/zinc/94/28/40/848942840.db2.gz ZAVDMRHAEAVLCA-QWRGUYRKSA-N 1 0 265.313 1.893 20 5 CDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923373704 849012561 /nfs/dbraw/zinc/01/25/61/849012561.db2.gz OZRFVHCVRKMPOG-HKCMKHECSA-N 1 0 293.367 1.604 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3C[C@H](O)C3)CC2)cc1 ZINC000850578036 849211132 /nfs/dbraw/zinc/21/11/32/849211132.db2.gz FUKUGBJPFPHSOS-NNUKFRKNSA-N 1 0 291.351 1.677 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1cccnc1[N+](=O)[O-] ZINC000886100628 849213609 /nfs/dbraw/zinc/21/36/09/849213609.db2.gz SWWCAARCEKWXJZ-WDEREUQCSA-N 1 0 264.329 1.514 20 5 CDBDRO CN(CC(C)(C)C[NH3+])c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000842276884 849221452 /nfs/dbraw/zinc/22/14/52/849221452.db2.gz XXVXARWUHKHDKZ-UHFFFAOYSA-N 1 0 282.300 1.924 20 5 CDBDRO O=[N+]([O-])c1ccc(Cc2noc(C[NH2+]CC3CC3)n2)nc1 ZINC000843191579 849540995 /nfs/dbraw/zinc/54/09/95/849540995.db2.gz JTUCAZSEOQOQSO-UHFFFAOYSA-N 1 0 289.295 1.463 20 5 CDBDRO C[N@@H+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000776597414 849571599 /nfs/dbraw/zinc/57/15/99/849571599.db2.gz LFYKCLCWSOSTQL-AWEZNQCLSA-N 1 0 293.367 1.654 20 5 CDBDRO CC(=O)N[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000133992742 849748768 /nfs/dbraw/zinc/74/87/68/849748768.db2.gz FTKKBAWTRMFLHI-NSHDSACASA-N 1 0 297.742 1.959 20 5 CDBDRO Cc1cc(-c2noc([C@@H]3C[C@@H]3[NH3+])n2)cc([N+](=O)[O-])c1 ZINC000823270896 849803311 /nfs/dbraw/zinc/80/33/11/849803311.db2.gz XLWZNSJGFMDMLY-ZJUUUORDSA-N 1 0 260.253 1.768 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1C[C@H](O)C1 ZINC000873140662 850030834 /nfs/dbraw/zinc/03/08/34/850030834.db2.gz RYDGHUXDINUDFO-XYPYZODXSA-N 1 0 250.298 1.825 20 5 CDBDRO Cc1c(NC(=O)C[C@H]([NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000123702674 850059710 /nfs/dbraw/zinc/05/97/10/850059710.db2.gz UZIHEBSPRDJBRJ-JTQLQIEISA-N 1 0 263.297 1.969 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+](CCO)C2CC2)cc1 ZINC000776578181 850170250 /nfs/dbraw/zinc/17/02/50/850170250.db2.gz CGHOGFPEIASQTJ-CYBMUJFWSA-N 1 0 266.297 1.085 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCCOC2)cc1 ZINC000211112963 850202088 /nfs/dbraw/zinc/20/20/88/850202088.db2.gz VHPHRYVZZHXVBE-DGCLKSJQSA-N 1 0 266.297 1.397 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886827059 850247571 /nfs/dbraw/zinc/24/75/71/850247571.db2.gz CFJIAWRPGNIDPA-LLVKDONJSA-N 1 0 264.329 1.421 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000930660234 850266543 /nfs/dbraw/zinc/26/65/43/850266543.db2.gz JJXTWJJCMXYHOX-UHFFFAOYSA-N 1 0 264.325 1.645 20 5 CDBDRO [NH3+][C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923281555 850370755 /nfs/dbraw/zinc/37/07/55/850370755.db2.gz MPSOECYFBJTGNE-AAEUAGOBSA-N 1 0 265.313 1.051 20 5 CDBDRO O=[N+]([O-])c1cccc(CN2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000415132238 850421584 /nfs/dbraw/zinc/42/15/84/850421584.db2.gz CCVPYTHPWDVXST-CQSZACIVSA-N 1 0 261.325 1.923 20 5 CDBDRO C[C@@H]([NH3+])CN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000311000538 850490765 /nfs/dbraw/zinc/49/07/65/850490765.db2.gz JNPSNILAJRIMEW-SSDOTTSWSA-N 1 0 271.704 1.667 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC=[NH2+])c1F ZINC001173176228 912280506 /nfs/dbraw/zinc/28/05/06/912280506.db2.gz FGUQTKWCNLITNX-ZETCQYMHSA-N 1 0 255.249 1.870 20 5 CDBDRO CC(=O)NC[C@H](C)C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173219320 912302211 /nfs/dbraw/zinc/30/22/11/912302211.db2.gz AUNMPLIXYUVJIM-VXGBXAGGSA-N 1 0 293.367 1.888 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC001173223034 912309853 /nfs/dbraw/zinc/30/98/53/912309853.db2.gz WPOFYKWXNUSPDR-WDMOLILDSA-N 1 0 264.325 1.838 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC(=O)N1 ZINC001173213150 912335053 /nfs/dbraw/zinc/33/50/53/912335053.db2.gz FXFBXUDQRHJISQ-JQWIXIFHSA-N 1 0 277.324 1.394 20 5 CDBDRO COC(=O)c1cc(O)c(OC)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001234083935 913232645 /nfs/dbraw/zinc/23/26/45/913232645.db2.gz AWUUKGVNBOCLJU-JTQLQIEISA-O 1 0 298.359 1.661 20 5 CDBDRO C[NH2+]CCNc1ccc(NC(C)=O)c([N+](=O)[O-])c1 ZINC001167723764 899373523 /nfs/dbraw/zinc/37/35/23/899373523.db2.gz ATLNFGCRXTXFSQ-UHFFFAOYSA-N 1 0 252.274 1.185 20 5 CDBDRO Cc1ccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001204681001 906418595 /nfs/dbraw/zinc/41/85/95/906418595.db2.gz PQCQLMRTGKAIIB-CQSZACIVSA-N 1 0 266.361 1.495 20 5 CDBDRO CCCc1c[nH]c(=O)nc1O[C@H](C)C[N+](C)(C)C ZINC001228872616 907610721 /nfs/dbraw/zinc/61/07/21/907610721.db2.gz ACLKTRROJFYRPN-SNVBAGLBSA-O 1 0 254.354 1.608 20 5 CDBDRO [NH3+]Cc1cnn(-c2ccc3cc(F)cc([N+](=O)[O-])c3n2)c1 ZINC001168258421 908004843 /nfs/dbraw/zinc/00/48/43/908004843.db2.gz SNLJRNIVHHDIQZ-UHFFFAOYSA-N 1 0 287.254 1.927 20 5 CDBDRO CN(C)c1ccc(Nc2nccnc2C[NH3+])c([N+](=O)[O-])c1 ZINC001171450212 910727847 /nfs/dbraw/zinc/72/78/47/910727847.db2.gz XLEYLBCGQVDMQY-UHFFFAOYSA-N 1 0 288.311 1.653 20 5 CDBDRO [NH3+]CCONC(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001156291375 927922492 /nfs/dbraw/zinc/92/24/92/927922492.db2.gz AXQIJUZCOOBKFI-UHFFFAOYSA-N 1 0 282.634 1.172 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001163771506 924164195 /nfs/dbraw/zinc/16/41/95/924164195.db2.gz AEHLALYGMPHHJC-ZETCQYMHSA-N 1 0 264.289 1.228 20 5 CDBDRO C[NH+](C)C1CN(c2ccc3c(cccc3[N+](=O)[O-])n2)C1 ZINC001163933974 924406083 /nfs/dbraw/zinc/40/60/83/924406083.db2.gz UUFPYEGQZHKFEV-UHFFFAOYSA-N 1 0 272.308 1.893 20 5 CDBDRO Cc1cc(Cl)nc(-n2nccc2C[NH3+])c1[N+](=O)[O-] ZINC001155125576 926571132 /nfs/dbraw/zinc/57/11/32/926571132.db2.gz SEUITCZWPLEVHZ-UHFFFAOYSA-N 1 0 267.676 1.596 20 5 CDBDRO O=c1[nH]cccc1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168980325 927568238 /nfs/dbraw/zinc/56/82/38/927568238.db2.gz CVWUIZYLOMMQAV-ONGXEEELSA-N 1 0 251.286 1.322 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001168983268 927571252 /nfs/dbraw/zinc/57/12/52/927571252.db2.gz LPAWCPZWJKEAOZ-UHFFFAOYSA-N 1 0 298.306 1.533 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cncc(Cl)n2)C1 ZINC001168985288 927574607 /nfs/dbraw/zinc/57/46/07/927574607.db2.gz SRJXVCWHMLQIKT-DTWKUNHWSA-N 1 0 270.720 1.665 20 5 CDBDRO CC(=O)N1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168965729 927588759 /nfs/dbraw/zinc/58/87/59/927588759.db2.gz CIXDYQIYDHDUSY-AAEUAGOBSA-N 1 0 269.345 1.032 20 5 CDBDRO O=C(CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)NC1CCCC1 ZINC001168965620 927589749 /nfs/dbraw/zinc/58/97/49/927589749.db2.gz BDVZWVRBLIKIMS-AAEUAGOBSA-N 1 0 283.372 1.470 20 5 CDBDRO CC(=O)N1CCC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168965636 927589992 /nfs/dbraw/zinc/58/99/92/927589992.db2.gz BIPXYVWCMGZGSA-XQQFMLRXSA-N 1 0 269.345 1.032 20 5 CDBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cncnc1 ZINC001168975683 927599110 /nfs/dbraw/zinc/59/91/10/927599110.db2.gz WRGHHNTULAAQQX-NHCYSSNCSA-N 1 0 250.302 1.573 20 5 CDBDRO O=C(C1CCC1)N1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168992808 927600407 /nfs/dbraw/zinc/60/04/07/927600407.db2.gz KTHUTJGYOVVDHT-YUTCNCBUSA-N 1 0 295.383 1.422 20 5 CDBDRO COCCN1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168992481 927600470 /nfs/dbraw/zinc/60/04/70/927600470.db2.gz JYQYGTFIZGLBKN-TZMCWYRMSA-N 1 0 285.388 1.132 20 5 CDBDRO COC(CCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)OC ZINC001168989410 927627492 /nfs/dbraw/zinc/62/74/92/927627492.db2.gz WLNINJQRVJOABY-GHMZBOCLSA-N 1 0 260.334 1.421 20 5 CDBDRO [NH3+]Cc1ccc(N[C@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001168990503 927629519 /nfs/dbraw/zinc/62/95/19/927629519.db2.gz ZTIHRDLNFHJJEA-UWVGGRQHSA-N 1 0 250.302 1.398 20 5 CDBDRO CC(C)C(=O)N1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168991347 927631816 /nfs/dbraw/zinc/63/18/16/927631816.db2.gz GMBSJTLSXCCJNP-UPJWGTAASA-N 1 0 283.372 1.278 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCc3ncsc3C2)C1 ZINC001169033304 927640238 /nfs/dbraw/zinc/64/02/38/927640238.db2.gz BSXMGTCTBLXWOB-NXEZZACHSA-N 1 0 267.354 1.947 20 5 CDBDRO O=C1NCCCC12CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169034151 927642569 /nfs/dbraw/zinc/64/25/69/927642569.db2.gz FPLIFFOOWPSDKB-OLZOCXBDSA-N 1 0 295.383 1.424 20 5 CDBDRO CC1(C(N)=O)CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169035238 927644896 /nfs/dbraw/zinc/64/48/96/927644896.db2.gz JPVRSMNERDONPV-MNOVXSKESA-N 1 0 269.345 1.019 20 5 CDBDRO CC[C@@]12C[C@@H](CO1)[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169039018 927651473 /nfs/dbraw/zinc/65/14/73/927651473.db2.gz MJYKBFDKVQOIHH-NDBYEHHHSA-N 1 0 254.330 1.685 20 5 CDBDRO Cn1cnnc1C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169039810 927653768 /nfs/dbraw/zinc/65/37/68/927653768.db2.gz UEAKMABIWHZTJW-WCQYABFASA-N 1 0 293.371 1.440 20 5 CDBDRO CCN1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H](C)C1 ZINC001169051404 927669167 /nfs/dbraw/zinc/66/91/67/927669167.db2.gz DOPHIHTZQFPZSW-JHJVBQTASA-N 1 0 255.362 1.458 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(-n2ncc3c2cccc3C[NH3+])n1 ZINC001169195439 927804263 /nfs/dbraw/zinc/80/42/63/927804263.db2.gz WPQMKSLRGVOYIZ-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO COc1cnc(-n2ccc([C@@H](C)[NH3+])n2)cc1[N+](=O)[O-] ZINC001169228851 927830612 /nfs/dbraw/zinc/83/06/12/927830612.db2.gz DAQACPMYDPGXLN-SSDOTTSWSA-N 1 0 263.257 1.204 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2CC[C@@H]([N@@H+](C)C(C)C)C2)n1 ZINC001157010029 929100838 /nfs/dbraw/zinc/10/08/38/929100838.db2.gz OALNLQGDIKTVJT-LLVKDONJSA-N 1 0 279.344 1.612 20 5 CDBDRO C[C@@H]([NH3+])CCNc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001170889581 930678455 /nfs/dbraw/zinc/67/84/55/930678455.db2.gz RCZWREVYMKXJHU-SSDOTTSWSA-N 1 0 279.275 1.826 20 5 CDBDRO C[C@@H]1CC[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)O1 ZINC000819359473 930793449 /nfs/dbraw/zinc/79/34/49/930793449.db2.gz VWDGIHBDHNIGCJ-HONMWMINSA-N 1 0 280.324 1.785 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC001118204888 937602822 /nfs/dbraw/zinc/60/28/22/937602822.db2.gz QJCASDNPVIQRGM-NXEZZACHSA-N 1 0 292.339 1.446 20 5 CDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC001120356621 937795611 /nfs/dbraw/zinc/79/56/11/937795611.db2.gz XIOVOGOWCDHQIP-XYZCENFISA-N 1 0 256.327 1.351 20 5 CDBDRO C[C@H](Nc1cc(N)ccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001120959046 937849907 /nfs/dbraw/zinc/84/99/07/937849907.db2.gz FBZFNKQSLRNOPE-IINYFYTJSA-N 1 0 293.371 1.223 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1([NH3+])CC1 ZINC001122262246 937916265 /nfs/dbraw/zinc/91/62/65/937916265.db2.gz VBWZOPUCYCRKPI-UHFFFAOYSA-N 1 0 263.297 1.433 20 5 CDBDRO C[NH+](C)C[C@@]12C[C@@H]1CN(c1ncc([N+](=O)[O-])cc1F)C2 ZINC001156386101 938361311 /nfs/dbraw/zinc/36/13/11/938361311.db2.gz VUULIIJSPSUBEM-NOZJJQNGSA-N 1 0 280.303 1.517 20 5 CDBDRO Cc1cnc(-n2ccc(C[NH3+])cc2=N)c([N+](=O)[O-])c1 ZINC001156849860 938425209 /nfs/dbraw/zinc/42/52/09/938425209.db2.gz HOOUAUATWXZSBF-UHFFFAOYSA-N 1 0 259.269 1.027 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001156851050 938425978 /nfs/dbraw/zinc/42/59/78/938425978.db2.gz VTBINXVFWABRJJ-UHFFFAOYSA-N 1 0 296.290 1.267 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1-n1nc(C[NH3+])c2ccccc21 ZINC001156860367 938426758 /nfs/dbraw/zinc/42/67/58/938426758.db2.gz GSRVCTCWUXQPMX-UHFFFAOYSA-N 1 0 284.279 1.370 20 5 CDBDRO CN(c1nc(Cl)ncc1[N+](=O)[O-])[C@@]1(C)CCC[NH2+]C1 ZINC001156949459 938437819 /nfs/dbraw/zinc/43/78/19/938437819.db2.gz ZXPBKOYAUVVEOI-NSHDSACASA-N 1 0 285.735 1.617 20 5 CDBDRO CC(C)[N@H+](C)[C@@H]1CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001157002261 938444758 /nfs/dbraw/zinc/44/47/58/938444758.db2.gz WBJJFFMDLLYAOB-GFCCVEGCSA-N 1 0 280.328 1.147 20 5 CDBDRO CC(C)[N@H+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])c(N)n2)C1 ZINC001157021679 938446490 /nfs/dbraw/zinc/44/64/90/938446490.db2.gz QYAHLKHBEWNIJJ-JTQLQIEISA-N 1 0 279.344 1.491 20 5 CDBDRO Cc1cnc(N2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001157260250 938470400 /nfs/dbraw/zinc/47/04/00/938470400.db2.gz IQCPCKYANYOSFI-DGCLKSJQSA-N 1 0 276.340 1.829 20 5 CDBDRO CCOC(=O)CN(CCC[NH3+])c1nccc(C)c1[N+](=O)[O-] ZINC001157544197 938507436 /nfs/dbraw/zinc/50/74/36/938507436.db2.gz GKXMPBCCNUCOTE-UHFFFAOYSA-N 1 0 296.327 1.017 20 5 CDBDRO CC1([NH3+])CN(C(=O)c2ccnc3c2ccc2cccnc23)C1 ZINC001157674437 938530834 /nfs/dbraw/zinc/53/08/34/938530834.db2.gz VZISHQLXMILVDU-UHFFFAOYSA-N 1 0 292.342 1.956 20 5 CDBDRO CCC[N@H+]1C[C@H]2CN(c3ncc([N+](=O)[O-])c(C)n3)C[C@H]2C1 ZINC001157700141 938534289 /nfs/dbraw/zinc/53/42/89/938534289.db2.gz OEIYKQPAUFRAJN-TXEJJXNPSA-N 1 0 291.355 1.471 20 5 CDBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001157795065 938546817 /nfs/dbraw/zinc/54/68/17/938546817.db2.gz DGXYQMIHFNNUAS-RYUDHWBXSA-N 1 0 280.328 1.513 20 5 CDBDRO [NH3+]Cc1ccc2ncn(-c3cc([N+](=O)[O-])cc[n+]3[O-])c2c1 ZINC001158007982 938574780 /nfs/dbraw/zinc/57/47/80/938574780.db2.gz XCXBSDBJOOIKAT-UHFFFAOYSA-N 1 0 285.263 1.026 20 5 CDBDRO O=[N+]([O-])c1cc(N2CC[N@@H+]3CC[C@H]3C2)nc2[nH]ccc21 ZINC001158431637 938624426 /nfs/dbraw/zinc/62/44/26/938624426.db2.gz FJMUZRWTAARINY-VIFPVBQESA-N 1 0 273.296 1.365 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(NCC[C@H]2CCC[NH2+]2)c1 ZINC001158627723 938643543 /nfs/dbraw/zinc/64/35/43/938643543.db2.gz NQGMZVOVKCBRSE-MRVPVSSYSA-N 1 0 286.719 1.436 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCC[C@H]1CCC[NH2+]1 ZINC001158627038 938643556 /nfs/dbraw/zinc/64/35/56/938643556.db2.gz CGVKHDVYZLOYLM-SNVBAGLBSA-N 1 0 266.301 1.091 20 5 CDBDRO C[C@]1(C[NH3+])CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC001158675558 938649338 /nfs/dbraw/zinc/64/93/38/938649338.db2.gz OFXQALYBINZKMN-GFCCVEGCSA-N 1 0 268.292 1.694 20 5 CDBDRO Cc1nc(Cl)nc(-n2ccc(C[NH3+])c2)c1[N+](=O)[O-] ZINC001158759925 938660316 /nfs/dbraw/zinc/66/03/16/938660316.db2.gz DQYYWLWLADOKHJ-UHFFFAOYSA-N 1 0 267.676 1.596 20 5 CDBDRO C[NH+]1CC2(CN(c3ncc([N+](=O)[O-])c4ccccc43)C2)C1 ZINC001158864716 938672585 /nfs/dbraw/zinc/67/25/85/938672585.db2.gz ZZZJHERMQZOJKD-UHFFFAOYSA-N 1 0 284.319 1.895 20 5 CDBDRO C[NH+]1CC2(CN(c3nccc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001158865773 938673476 /nfs/dbraw/zinc/67/34/76/938673476.db2.gz CHIVYYRHXXXCBD-UHFFFAOYSA-N 1 0 284.319 1.895 20 5 CDBDRO Cc1c(C)c(NC[C@@H]2COCC[NH2+]2)ncc1[N+](=O)[O-] ZINC001159044158 938696202 /nfs/dbraw/zinc/69/62/02/938696202.db2.gz PWRRCYROICRANA-SNVBAGLBSA-N 1 0 266.301 1.007 20 5 CDBDRO Cc1c(C)c([N+](=O)[O-])cnc1N[C@@H](C)[C@H]1C[NH2+]CCO1 ZINC001159498448 938734652 /nfs/dbraw/zinc/73/46/52/938734652.db2.gz LULVCUJUIMPXBJ-CMPLNLGQSA-N 1 0 280.328 1.395 20 5 CDBDRO [NH3+]Cc1nccnc1Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC001160251273 938777748 /nfs/dbraw/zinc/77/77/48/938777748.db2.gz VXQRIVQIANBJIN-UHFFFAOYSA-N 1 0 297.278 1.530 20 5 CDBDRO Nc1cc(Nc2ccc(C[NH3+])nc2)ncc1[N+](=O)[O-] ZINC001160402581 938784639 /nfs/dbraw/zinc/78/46/39/938784639.db2.gz VZKBLUVQHRRGDN-UHFFFAOYSA-N 1 0 260.257 1.169 20 5 CDBDRO COC(=O)Cc1ccc(NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC001161671723 938918831 /nfs/dbraw/zinc/91/88/31/938918831.db2.gz WMWSGASWWFNINV-UHFFFAOYSA-N 1 0 281.312 1.284 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)c([N+](=O)[O-])c1 ZINC001162794563 939142498 /nfs/dbraw/zinc/14/24/98/939142498.db2.gz PYBZKHLFFDGJAI-SZEHBUNVSA-N 1 0 291.267 1.084 20 5 CDBDRO Cc1cccc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)c1[N+](=O)[O-] ZINC001163141254 939211745 /nfs/dbraw/zinc/21/17/45/939211745.db2.gz FKFREXLGUNPEPJ-YUSALJHKSA-N 1 0 263.297 1.302 20 5 CDBDRO CN(C)c1ccc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)c([N+](=O)[O-])c1 ZINC001163343303 939252351 /nfs/dbraw/zinc/25/23/51/939252351.db2.gz ULMYBIDPAHQAJB-DYEKYZERSA-N 1 0 292.339 1.202 20 5 CDBDRO C[NH2+]C1CN(c2cc(C)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001163700938 939310806 /nfs/dbraw/zinc/31/08/06/939310806.db2.gz FYAQNXYHKWFWMA-UHFFFAOYSA-N 1 0 272.308 1.859 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1N[C@@H](C)C[NH+](C)C ZINC001163772413 939327005 /nfs/dbraw/zinc/32/70/05/939327005.db2.gz LYIJCMKBOMGUFB-QMMMGPOBSA-N 1 0 253.306 1.394 20 5 CDBDRO COc1nc(N[C@H](C)C[NH+](C)C)nc(C)c1[N+](=O)[O-] ZINC001163774091 939328231 /nfs/dbraw/zinc/32/82/31/939328231.db2.gz YPNLBPOJNXAZDS-SSDOTTSWSA-N 1 0 269.305 1.064 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2CCC[C@](C)(C[NH3+])CC2)n1 ZINC001164248926 939441511 /nfs/dbraw/zinc/44/15/11/939441511.db2.gz YSCBMPZKOJWVOC-ZDUSSCGKSA-N 1 0 279.344 1.649 20 5 CDBDRO O=[N+]([O-])c1c(NC[C@@H]2CCCCO2)ncnc1C1C[NH2+]C1 ZINC001164689219 939504069 /nfs/dbraw/zinc/50/40/69/939504069.db2.gz GQKONWMBPTWTLA-JTQLQIEISA-N 1 0 293.327 1.053 20 5 CDBDRO [NH3+]CC1(F)CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC001165262415 939536159 /nfs/dbraw/zinc/53/61/59/939536159.db2.gz KDNZKVQYLWGRPU-UHFFFAOYSA-N 1 0 272.255 1.396 20 5 CDBDRO Cc1cc(Cl)nc(N2CC[C@@H]3[NH2+]CC[C@H]32)c1[N+](=O)[O-] ZINC001165296576 939542090 /nfs/dbraw/zinc/54/20/90/939542090.db2.gz MXYKRBMANGQTGY-DTWKUNHWSA-N 1 0 282.731 1.892 20 5 CDBDRO Cc1c(C)c(N2CC[C@@H]3[NH2+]CC[C@H]32)ncc1[N+](=O)[O-] ZINC001165299665 939542794 /nfs/dbraw/zinc/54/27/94/939542794.db2.gz OZOGONILCJOPEL-WDEREUQCSA-N 1 0 262.313 1.547 20 5 CDBDRO Nc1nc(N2CCCCC23CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC001165338975 939548285 /nfs/dbraw/zinc/54/82/85/939548285.db2.gz MAOKRUSDKUKFDO-UHFFFAOYSA-N 1 0 291.355 1.685 20 5 CDBDRO CN(C[C@@H]1CC[NH2+]C1)c1nc(Cl)ncc1[N+](=O)[O-] ZINC001166955397 939658862 /nfs/dbraw/zinc/65/88/62/939658862.db2.gz VJLRWBARFHBMCG-SSDOTTSWSA-N 1 0 271.708 1.084 20 5 CDBDRO COc1cccc(C(=O)CO[C@H](C)C[N+](C)(C)C)c1 ZINC001204782746 939790856 /nfs/dbraw/zinc/79/08/56/939790856.db2.gz UYQMURUHHDATME-GFCCVEGCSA-N 1 0 266.361 1.989 20 5 CDBDRO C[C@]1([NH3+])CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000405711365 940994378 /nfs/dbraw/zinc/99/43/78/940994378.db2.gz ADJRUTDZIZTQCM-ZDUSSCGKSA-N 1 0 263.297 1.087 20 5 CDBDRO C[C@H]1C[C@@H](Oc2ccc(N)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC001218051151 941037923 /nfs/dbraw/zinc/03/79/23/941037923.db2.gz GBAMMVVESSQHEE-WPRPVWTQSA-N 1 0 251.286 1.696 20 5 CDBDRO O=[N+]([O-])c1cccc2cc(O[C@H]3CC[NH2+]C3)cnc21 ZINC001218182888 941042974 /nfs/dbraw/zinc/04/29/74/941042974.db2.gz RKUAASKNEWMXQV-JTQLQIEISA-N 1 0 259.265 1.884 20 5 CDBDRO O=c1oc2ccccc2c(O[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001218283142 941051333 /nfs/dbraw/zinc/05/13/33/941051333.db2.gz CQVUWQRRAZNMCN-SECBINFHSA-N 1 0 290.275 1.832 20 5 CDBDRO COc1ccc(CCOC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001222304349 941582946 /nfs/dbraw/zinc/58/29/46/941582946.db2.gz ISVFAWMJKDOTGK-CQSZACIVSA-N 1 0 296.387 1.238 20 5 CDBDRO COC(=O)c1cccc(CO[C@H](C)C[N+](C)(C)C)n1 ZINC001223299778 941668612 /nfs/dbraw/zinc/66/86/12/941668612.db2.gz YWMZRIXFHCEWKZ-LLVKDONJSA-N 1 0 267.349 1.480 20 5 CDBDRO CCOC(=O)[C@H]1CCC[C@H]1OCCC[N+](C)(C)C ZINC001224617968 941776365 /nfs/dbraw/zinc/77/63/65/941776365.db2.gz AMHBUEKMIUJPTM-QWHCGFSZSA-N 1 0 258.382 1.831 20 5 CDBDRO C[N@@H+]1CCC[C@H]1CO[C@@H](C[N+](=O)[O-])c1cccnc1 ZINC001224817403 941795547 /nfs/dbraw/zinc/79/55/47/941795547.db2.gz PAEORJFHIAHCDR-STQMWFEESA-N 1 0 265.313 1.510 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2cnccc21 ZINC001225292246 941838959 /nfs/dbraw/zinc/83/89/59/941838959.db2.gz FSHJPBDURBDFGV-CYBMUJFWSA-N 1 0 289.355 1.597 20 5 CDBDRO CCn1c(C)cc(O[C@@H](C)C[N+](C)(C)C)cc1=O ZINC001225440977 941860116 /nfs/dbraw/zinc/86/01/16/941860116.db2.gz BDZXCPHIQWXTHY-LBPRGKRZSA-N 1 0 253.366 1.650 20 5 CDBDRO C[N@@H+]1CC[C@H](Oc2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC001225775564 941912696 /nfs/dbraw/zinc/91/26/96/941912696.db2.gz FMQIQUQACKLJSX-ZETCQYMHSA-N 1 0 258.224 1.956 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(F)c(F)c(F)c1 ZINC001225911988 941928395 /nfs/dbraw/zinc/92/83/95/941928395.db2.gz XXCZETLZXZYTOO-MRVPVSSYSA-N 1 0 292.277 1.467 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1c(F)cc(F)cc1F ZINC001225932780 941930834 /nfs/dbraw/zinc/93/08/34/941930834.db2.gz AYPOPVXQFWLQFO-SECBINFHSA-N 1 0 292.277 1.467 20 5 CDBDRO Cc1cnc(O[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001227234266 942154510 /nfs/dbraw/zinc/15/45/10/942154510.db2.gz FLCJMVYXTDCBJB-JTQLQIEISA-N 1 0 251.286 1.771 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOc2ncc(C)cc2[N+](=O)[O-])C1 ZINC001227237642 942155102 /nfs/dbraw/zinc/15/51/02/942155102.db2.gz WROIHXYYIHVVJU-LLVKDONJSA-N 1 0 281.312 1.398 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(O)ccc1Cl ZINC001228226726 942282906 /nfs/dbraw/zinc/28/29/06/942282906.db2.gz PTMPRJMAJRDVOH-SNVBAGLBSA-O 1 0 288.751 1.408 20 5 CDBDRO O=[N+]([O-])c1c[n+]([O-])ccc1OC1CCN(CCF)CC1 ZINC001229453022 942476702 /nfs/dbraw/zinc/47/67/02/942476702.db2.gz ZOONBOOBTQCSMP-UHFFFAOYSA-N 1 0 285.275 1.041 20 5 CDBDRO COCC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001229741743 942523101 /nfs/dbraw/zinc/52/31/01/942523101.db2.gz PZZMSIJVYPHIAJ-LBPRGKRZSA-N 1 0 266.361 1.989 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1cc(C(F)(F)F)cnn1 ZINC001229745257 942525093 /nfs/dbraw/zinc/52/50/93/942525093.db2.gz GMQMLBZWZAIUMC-MRVPVSSYSA-N 1 0 264.271 1.969 20 5 CDBDRO COc1c(F)cccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001230833452 942708727 /nfs/dbraw/zinc/70/87/27/942708727.db2.gz BZYQPDWDGBAENS-SNVBAGLBSA-N 1 0 286.323 1.197 20 5 CDBDRO O=[N+]([O-])c1cccc(O[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001233573809 943620542 /nfs/dbraw/zinc/62/05/42/943620542.db2.gz CGWAUHIIHAGEGO-LBPRGKRZSA-N 1 0 293.279 1.976 20 5 CDBDRO C[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001233701778 943643605 /nfs/dbraw/zinc/64/36/05/943643605.db2.gz GJBVTEDIPQQUBY-SNVBAGLBSA-N 1 0 281.268 1.976 20 5 CDBDRO COc1cc(CC[N+](=O)[O-])ccc1O[C@H](C)C[NH+](C)C ZINC001233988333 943706907 /nfs/dbraw/zinc/70/69/07/943706907.db2.gz WBXLPZYTOXIYSM-LLVKDONJSA-N 1 0 282.340 1.843 20 5 CDBDRO CCc1cc(O)ccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001234102678 943741900 /nfs/dbraw/zinc/74/19/00/943741900.db2.gz SWLQAVAITAADMO-CYBMUJFWSA-O 1 0 282.360 1.317 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCN1CCCCO1)C2 ZINC001254566062 947527755 /nfs/dbraw/zinc/52/77/55/947527755.db2.gz HGWMBWPPKINPBB-AWEZNQCLSA-N 1 0 291.351 1.679 20 5 CDBDRO CC1(C)OC[C@@H](C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)O1 ZINC001254579329 947537156 /nfs/dbraw/zinc/53/71/56/947537156.db2.gz QKRSSWJLSBASOB-TZMCWYRMSA-N 1 0 292.335 1.803 20 5 CDBDRO COC(=O)[C@@H]1C[C@@H]1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254583983 947539234 /nfs/dbraw/zinc/53/92/34/947539234.db2.gz FKCMENKMBGYYDV-YRGRVCCFSA-N 1 0 290.319 1.461 20 5 CDBDRO CCOC(=O)C[C@H](C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254584155 947540099 /nfs/dbraw/zinc/54/00/99/947540099.db2.gz QPYYFFQRYYTZHF-GWCFXTLKSA-N 1 0 292.335 1.993 20 5 CDBDRO C[C@@]1(O)COCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254592073 947543878 /nfs/dbraw/zinc/54/38/78/947543878.db2.gz AERVCTRNOBYLDK-GJZGRUSLSA-N 1 0 292.335 1.145 20 5 CDBDRO CC[N@H+](CCN(C)C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596666 947544653 /nfs/dbraw/zinc/54/46/53/947544653.db2.gz DXGUKHMYEMFPGW-HNNXBMFYSA-N 1 0 277.368 1.946 20 5 CDBDRO Cn1cnc2c1C[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254605259 947553020 /nfs/dbraw/zinc/55/30/20/947553020.db2.gz ASZQAABXTFFUBG-CQSZACIVSA-N 1 0 298.346 1.854 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[NH2+]1 ZINC001246188476 948020961 /nfs/dbraw/zinc/02/09/61/948020961.db2.gz XKSRDDDWSABZSP-DGCLKSJQSA-N 1 0 263.341 1.867 20 5 CDBDRO CCC1(N[C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C[NH2+]C1 ZINC001246226213 948039735 /nfs/dbraw/zinc/03/97/35/948039735.db2.gz BHGGPDOQYZSMHV-NSHDSACASA-N 1 0 293.367 1.876 20 5 CDBDRO [NH3+][C@@H](CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001325324935 953840884 /nfs/dbraw/zinc/84/08/84/953840884.db2.gz IBCWNAVHBRMIPV-ZDUSSCGKSA-N 1 0 290.323 1.357 20 5 CDBDRO Cc1nc(N2CCC([NH2+]C3CC3)CC2)ncc1[N+](=O)[O-] ZINC001306997885 956354606 /nfs/dbraw/zinc/35/46/06/956354606.db2.gz XRSWQUMGGXCCOL-UHFFFAOYSA-N 1 0 277.328 1.414 20 5 CDBDRO Cc1n[nH]c(=O)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1C ZINC001319833305 958745668 /nfs/dbraw/zinc/74/56/68/958745668.db2.gz IYWUKSRKKHEZDW-UHFFFAOYSA-N 1 0 288.307 1.997 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2(O)CCCC2)c1 ZINC001335951362 960118221 /nfs/dbraw/zinc/11/82/21/960118221.db2.gz MVWBSZBHKSETNW-CYBMUJFWSA-N 1 0 280.324 1.523 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC001322468650 960231907 /nfs/dbraw/zinc/23/19/07/960231907.db2.gz CRAUTEMEGIDUBO-LLVKDONJSA-N 1 0 276.340 1.616 20 5 CDBDRO CC[NH+]1CCC(Nc2c(C)cncc2[N+](=O)[O-])CC1 ZINC001322466383 960232015 /nfs/dbraw/zinc/23/20/15/960232015.db2.gz YYBJADCOAZJNTE-UHFFFAOYSA-N 1 0 264.329 1.616 20 5 CDBDRO O=[N+]([O-])c1c[nH]c(-c2csc(CN3CC[NH2+]CC3)n2)c1 ZINC001337621503 961316525 /nfs/dbraw/zinc/31/65/25/961316525.db2.gz IRUYKDZRCBFYMH-UHFFFAOYSA-N 1 0 293.352 1.452 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CC([NH3+])C1 ZINC001341777248 963539600 /nfs/dbraw/zinc/53/96/00/963539600.db2.gz GINJUFZSDNVYDY-UHFFFAOYSA-N 1 0 295.364 1.878 20 5 CDBDRO Cc1cncc([N+](=O)[O-])c1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC001341799015 963546723 /nfs/dbraw/zinc/54/67/23/963546723.db2.gz JJCOOHZBCKUQII-GFCCVEGCSA-N 1 0 274.324 1.749 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341878313 963569293 /nfs/dbraw/zinc/56/92/93/963569293.db2.gz MYSDKMBCXQFOCR-QWHCGFSZSA-N 1 0 291.351 1.942 20 5 CDBDRO O=C(NCC[C@H]1CSCC[NH2+]1)c1ccc([N+](=O)[O-])o1 ZINC001343713007 964113502 /nfs/dbraw/zinc/11/35/02/964113502.db2.gz FYYNXACQYPWKBI-QMMMGPOBSA-N 1 0 285.325 1.013 20 5 CDBDRO CN(CCC[NH3+])C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001521844470 970365265 /nfs/dbraw/zinc/36/52/65/970365265.db2.gz WVRNMTDXEFRMFF-STQMWFEESA-N 1 0 277.324 1.506 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)CC[NH2+]1 ZINC001576622642 1171469099 /nfs/dbraw/zinc/46/90/99/1171469099.db2.gz FZDLVCGVRCYJJK-DTWKUNHWSA-N 1 0 278.312 1.047 20 5 CDBDRO C[NH2+]CCCOc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001578691175 1171983787 /nfs/dbraw/zinc/98/37/87/1171983787.db2.gz LQBZVXWAFHRWNW-UHFFFAOYSA-N 1 0 268.269 1.354 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCO)CC2)s1 ZINC000589585667 342509437 /nfs/dbraw/zinc/50/94/37/342509437.db2.gz LDZUBJXZAPKHQQ-UHFFFAOYSA-N 1 0 271.342 1.207 20 5 CDBDRO C[C@]1(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000273039888 192027793 /nfs/dbraw/zinc/02/77/93/192027793.db2.gz UWCYETPCVAYWHV-AWEZNQCLSA-N 1 0 292.339 1.297 20 5 CDBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000070170054 361739244 /nfs/dbraw/zinc/73/92/44/361739244.db2.gz WPFIVAIWIIKHNY-SECBINFHSA-N 1 0 283.353 1.857 20 5 CDBDRO CCC(=O)N1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000590595034 342579213 /nfs/dbraw/zinc/57/92/13/342579213.db2.gz WTCCFJRIMWXKSD-CYBMUJFWSA-N 1 0 291.351 1.738 20 5 CDBDRO Cc1cnc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000590719157 342585894 /nfs/dbraw/zinc/58/58/94/342585894.db2.gz ZATNTRUDNAZWPH-PWSUYJOCSA-N 1 0 262.313 1.439 20 5 CDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000609269507 342099149 /nfs/dbraw/zinc/09/91/49/342099149.db2.gz RYAVDSDOCWBAEQ-JTQLQIEISA-N 1 0 297.311 1.028 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)cn1 ZINC000047702612 342107273 /nfs/dbraw/zinc/10/72/73/342107273.db2.gz IYXQGFKHHGGLHV-GFCCVEGCSA-N 1 0 292.339 1.148 20 5 CDBDRO O=C1NCCC[C@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000590971664 342612272 /nfs/dbraw/zinc/61/22/72/342612272.db2.gz DQBMTQMOZUSSNI-VIFPVBQESA-N 1 0 269.326 1.272 20 5 CDBDRO C[C@H]([NH3+])CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000591361311 342628411 /nfs/dbraw/zinc/62/84/11/342628411.db2.gz SSLXAXARUDWGQR-JTQLQIEISA-N 1 0 292.339 1.616 20 5 CDBDRO O=[N+]([O-])c1cc(CN2CC[C@@H]3CC[NH2+][C@H]3C2)cs1 ZINC000591448501 342632879 /nfs/dbraw/zinc/63/28/79/342632879.db2.gz JINWPUIBDNWOPO-QWRGUYRKSA-N 1 0 267.354 1.840 20 5 CDBDRO Nc1ccc(N2CC[NH+](CC3CC3)CC2)nc1[N+](=O)[O-] ZINC000312933367 342149770 /nfs/dbraw/zinc/14/97/70/342149770.db2.gz FHPPFLPAWNPIDM-UHFFFAOYSA-N 1 0 277.328 1.104 20 5 CDBDRO CC(C)[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000592241756 342680773 /nfs/dbraw/zinc/68/07/73/342680773.db2.gz HAPWLNCYRIPEPR-CYBMUJFWSA-N 1 0 295.314 1.804 20 5 CDBDRO CC1([NH3+])CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000592328498 342685280 /nfs/dbraw/zinc/68/52/80/342685280.db2.gz LZFBVENBXPWNOA-UHFFFAOYSA-N 1 0 281.287 1.687 20 5 CDBDRO COc1ccc([C@@H](C[NH3+])Cn2nccc2[N+](=O)[O-])cc1 ZINC000592158495 342670399 /nfs/dbraw/zinc/67/03/99/342670399.db2.gz HVJJLUKRCWHMFL-NSHDSACASA-N 1 0 276.296 1.542 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000592545853 342708857 /nfs/dbraw/zinc/70/88/57/342708857.db2.gz ZVPJVSGZPLBVBX-GXSJLCMTSA-N 1 0 290.323 1.001 20 5 CDBDRO CCCN(C(=O)c1[nH]nc(C)c1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000592830993 342741275 /nfs/dbraw/zinc/74/12/75/342741275.db2.gz KBNHQCZNOXPWAO-JTQLQIEISA-N 1 0 295.343 1.183 20 5 CDBDRO CC(C)O[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000593055309 342759935 /nfs/dbraw/zinc/75/99/35/342759935.db2.gz JQEFTMRGORRQBK-CYBMUJFWSA-N 1 0 282.344 1.681 20 5 CDBDRO Cc1ccnc(N[C@H](C)Cn2ccnc2)c1[N+](=O)[O-] ZINC000070496113 361983334 /nfs/dbraw/zinc/98/33/34/361983334.db2.gz OXMSXYIUWCMYHG-SNVBAGLBSA-N 1 0 261.285 1.995 20 5 CDBDRO CO[C@H]1COC[C@@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000290071039 361987464 /nfs/dbraw/zinc/98/74/64/361987464.db2.gz GAVNQBMTSSDKHX-JQWIXIFHSA-N 1 0 286.715 1.752 20 5 CDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000588775422 342221459 /nfs/dbraw/zinc/22/14/59/342221459.db2.gz DYPOPSSUHOQTGV-ONGXEEELSA-N 1 0 293.327 1.017 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1(CO)COC1 ZINC000594501170 342914530 /nfs/dbraw/zinc/91/45/30/342914530.db2.gz IWZXJZVBPISEIP-GFCCVEGCSA-N 1 0 278.308 1.181 20 5 CDBDRO O=[N+]([O-])c1cccnc1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609384317 342267942 /nfs/dbraw/zinc/26/79/42/342267942.db2.gz ILVBOEXQUNWCRX-LLVKDONJSA-N 1 0 262.313 1.886 20 5 CDBDRO O=[N+]([O-])c1cc(O)ccc1-n1cc(C2CC[NH2+]CC2)nn1 ZINC000594653756 342934546 /nfs/dbraw/zinc/93/45/46/342934546.db2.gz ZQIJLZGUJPLQMX-UHFFFAOYSA-N 1 0 289.295 1.348 20 5 CDBDRO [NH3+][C@H](c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@H]1CCCO1 ZINC000594640780 342939347 /nfs/dbraw/zinc/93/93/47/342939347.db2.gz MZEKNADIFJUDIS-CHWSQXEVSA-N 1 0 289.295 1.354 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(O)CC2)cc1 ZINC000055898747 349701955 /nfs/dbraw/zinc/70/19/55/349701955.db2.gz XSVUGNFFOQROEN-UHFFFAOYSA-N 1 0 280.324 1.820 20 5 CDBDRO Cc1c[nH]c(C[NH2+]CCc2cccc([N+](=O)[O-])c2)n1 ZINC000594933952 342976079 /nfs/dbraw/zinc/97/60/79/342976079.db2.gz BEXCVXBKCRXLKB-UHFFFAOYSA-N 1 0 260.297 1.959 20 5 CDBDRO COCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595005845 342989622 /nfs/dbraw/zinc/98/96/22/342989622.db2.gz DTLMQXCZKJOYCZ-VIFPVBQESA-N 1 0 254.286 1.900 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1C[C@@H](O)C1 ZINC000595053548 343000289 /nfs/dbraw/zinc/00/02/89/343000289.db2.gz WCWYUHVVXWUCFE-ATZCPNFKSA-N 1 0 266.297 1.777 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000595231513 343009609 /nfs/dbraw/zinc/00/96/09/343009609.db2.gz XTXMASWQFDAIEO-QMMMGPOBSA-N 1 0 282.300 1.333 20 5 CDBDRO CC[C@@H](C)C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075721059 342312593 /nfs/dbraw/zinc/31/25/93/342312593.db2.gz NRYAYJNGYCDQOD-PWSUYJOCSA-N 1 0 270.333 1.130 20 5 CDBDRO Cc1noc(C[NH2+][C@@H](CCO)C(C)C)c1[N+](=O)[O-] ZINC000595430379 343058373 /nfs/dbraw/zinc/05/83/73/343058373.db2.gz JNBZXXJZMOYERF-VIFPVBQESA-N 1 0 257.290 1.388 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000619522855 349788903 /nfs/dbraw/zinc/78/89/03/349788903.db2.gz KNELVCFCBSGFQW-JTQLQIEISA-N 1 0 280.328 1.147 20 5 CDBDRO Cc1noc(C[NH2+][C@@H]2CSC[C@@H]2C)c1[N+](=O)[O-] ZINC000595481284 343065075 /nfs/dbraw/zinc/06/50/75/343065075.db2.gz CRMXGMZEKJKPSA-POYBYMJQSA-N 1 0 257.315 1.732 20 5 CDBDRO Cc1noc(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000595519756 343075029 /nfs/dbraw/zinc/07/50/29/343075029.db2.gz CDQMSYLERDVRBZ-AAEUAGOBSA-N 1 0 295.339 1.778 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000248593963 362073894 /nfs/dbraw/zinc/07/38/94/362073894.db2.gz HUQWMFOGSSDTDD-KGYLQXTDSA-N 1 0 275.308 1.404 20 5 CDBDRO C[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1CCO ZINC000595706017 343127651 /nfs/dbraw/zinc/12/76/51/343127651.db2.gz WPCLWWNECZCVKN-NEPJUHHUSA-N 1 0 282.344 1.274 20 5 CDBDRO [NH3+]C1(CNC(=O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000595941096 343203652 /nfs/dbraw/zinc/20/36/52/343203652.db2.gz MLSXMDPDKJUWIL-UHFFFAOYSA-N 1 0 263.297 1.596 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1CNC1(CO)CC[NH2+]CC1 ZINC000595903677 343188200 /nfs/dbraw/zinc/18/82/00/343188200.db2.gz ZSTCMLGBWPGRLW-UHFFFAOYSA-N 1 0 299.758 1.452 20 5 CDBDRO C[NH2+]C[C@@H](C)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000596106318 343228565 /nfs/dbraw/zinc/22/85/65/343228565.db2.gz ODCGZFODFLSPKN-SECBINFHSA-N 1 0 281.312 1.064 20 5 CDBDRO C[NH+](C)CC1CN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000596247125 343286577 /nfs/dbraw/zinc/28/65/77/343286577.db2.gz KWROQMZIXKYECW-UHFFFAOYSA-N 1 0 287.323 1.536 20 5 CDBDRO O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H](O)C3)nc2c1 ZINC000083127359 342377609 /nfs/dbraw/zinc/37/76/09/342377609.db2.gz GJWDUNKKIYLVSH-SNVBAGLBSA-N 1 0 277.280 1.693 20 5 CDBDRO CCC(CC)(C[NH3+])NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000262608534 534938179 /nfs/dbraw/zinc/93/81/79/534938179.db2.gz VBIXRRGODOCFAI-UHFFFAOYSA-N 1 0 280.328 1.424 20 5 CDBDRO Cc1c([C@H](C)[NH2+]CC2(CO)COC2)cccc1[N+](=O)[O-] ZINC000090606635 342396730 /nfs/dbraw/zinc/39/67/30/342396730.db2.gz YYPQNVRBBOTPQO-NSHDSACASA-N 1 0 280.324 1.563 20 5 CDBDRO C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000093333403 342422241 /nfs/dbraw/zinc/42/22/41/342422241.db2.gz VSBNXKPUPPBVPH-FZMZJTMJSA-N 1 0 280.324 1.676 20 5 CDBDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000597244797 343481594 /nfs/dbraw/zinc/48/15/94/343481594.db2.gz RUYXYEFZQUMPTI-XYPYZODXSA-N 1 0 264.281 1.636 20 5 CDBDRO Cc1cc(N2CCC[C@H]([C@H](C)[NH3+])C2)ncc1[N+](=O)[O-] ZINC000227500904 140185910 /nfs/dbraw/zinc/18/59/10/140185910.db2.gz UXFSMBMAZHLLBT-QWRGUYRKSA-N 1 0 264.329 1.862 20 5 CDBDRO COCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)C[C@H]1C ZINC000150767911 136393279 /nfs/dbraw/zinc/39/32/79/136393279.db2.gz XUXSDEAXNMDZQM-LLVKDONJSA-N 1 0 294.355 1.455 20 5 CDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@H]1C ZINC000535741874 282276664 /nfs/dbraw/zinc/27/66/64/282276664.db2.gz NHNHFYLZBFIRIK-GHMZBOCLSA-N 1 0 294.355 1.488 20 5 CDBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)C2 ZINC000597716274 343609223 /nfs/dbraw/zinc/60/92/23/343609223.db2.gz QKIVEMMPEMFRSZ-AWEZNQCLSA-N 1 0 292.339 1.481 20 5 CDBDRO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000597997612 343685134 /nfs/dbraw/zinc/68/51/34/343685134.db2.gz NWIMUPSOIIOQKU-JTQLQIEISA-N 1 0 265.313 1.665 20 5 CDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2 ZINC000598668242 343871348 /nfs/dbraw/zinc/87/13/48/343871348.db2.gz QZOXYQWFTRLFSR-SWLSCSKDSA-N 1 0 289.335 1.477 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000599006106 343938261 /nfs/dbraw/zinc/93/82/61/343938261.db2.gz CQBKFZTXJPVADK-GSJFWJNXSA-N 1 0 280.324 1.854 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2O)cc1[N+](=O)[O-] ZINC000599012689 343939910 /nfs/dbraw/zinc/93/99/10/343939910.db2.gz UWFTZEHVHQITGP-DGCLKSJQSA-N 1 0 266.297 1.143 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598912903 343919070 /nfs/dbraw/zinc/91/90/70/343919070.db2.gz CUJXPTUYCMSNSP-BDAKNGLRSA-N 1 0 296.302 1.983 20 5 CDBDRO C[C@H](O)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000159546381 362286008 /nfs/dbraw/zinc/28/60/08/362286008.db2.gz PKUVSYGLAMXTCE-JTQLQIEISA-N 1 0 281.312 1.236 20 5 CDBDRO C[C@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000252162898 344064037 /nfs/dbraw/zinc/06/40/37/344064037.db2.gz QBOXLTNBAJYVPT-SFTQSGBHSA-N 1 0 296.371 1.567 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000148792510 290717359 /nfs/dbraw/zinc/71/73/59/290717359.db2.gz ROSDFLPPLFDWJL-VIFPVBQESA-N 1 0 265.313 1.489 20 5 CDBDRO O=C(N[C@@H]1CC[NH2+]C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602423793 344420740 /nfs/dbraw/zinc/42/07/40/344420740.db2.gz HCLWLAOSKAGWMC-GFCCVEGCSA-N 1 0 289.335 1.495 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000602598956 344503906 /nfs/dbraw/zinc/50/39/06/344503906.db2.gz MAVDGFIZUJEENK-CBAPKCEASA-N 1 0 283.715 1.810 20 5 CDBDRO [NH3+]CCC1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000602517070 344451604 /nfs/dbraw/zinc/45/16/04/344451604.db2.gz BBEAETYSPRHCKQ-UHFFFAOYSA-N 1 0 295.314 1.935 20 5 CDBDRO COCCOC[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602565370 344482290 /nfs/dbraw/zinc/48/22/90/344482290.db2.gz HALYCCDHWQNFHE-LBPRGKRZSA-N 1 0 282.340 1.778 20 5 CDBDRO COC(=O)[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602715207 344554474 /nfs/dbraw/zinc/55/44/74/344554474.db2.gz XSSVVIQWXRCGOJ-TXEJJXNPSA-N 1 0 278.308 1.679 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000602781106 344596351 /nfs/dbraw/zinc/59/63/51/344596351.db2.gz HOYSUBALFFVQSM-NXEZZACHSA-N 1 0 252.318 1.688 20 5 CDBDRO CC[C@H]1CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602774429 344577683 /nfs/dbraw/zinc/57/76/83/344577683.db2.gz ZKCOPRYPGOXPQR-NSHDSACASA-N 1 0 252.318 1.974 20 5 CDBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355341766 362448819 /nfs/dbraw/zinc/44/88/19/362448819.db2.gz LQGVZWGFJQNIBL-LBPRGKRZSA-N 1 0 295.387 1.492 20 5 CDBDRO CC[C@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602786196 344599037 /nfs/dbraw/zinc/59/90/37/344599037.db2.gz CRCFELYHHCIWPU-NSHDSACASA-N 1 0 252.318 1.832 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000602788387 344600543 /nfs/dbraw/zinc/60/05/43/344600543.db2.gz OPPXJVPXTIOZMA-VXGBXAGGSA-N 1 0 264.329 1.832 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CCN(C)CC1([NH+](C)C)CCC1 ZINC000602816775 344607360 /nfs/dbraw/zinc/60/73/60/344607360.db2.gz OWYDDFVGRAFUDZ-UHFFFAOYSA-N 1 0 295.387 1.516 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CSCC[NH2+]1 ZINC000603418570 344807685 /nfs/dbraw/zinc/80/76/85/344807685.db2.gz GLAUERYIXSUOAI-SECBINFHSA-N 1 0 285.373 1.237 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000603706521 344827621 /nfs/dbraw/zinc/82/76/21/344827621.db2.gz QOHSMMVIEOYFHM-GHMZBOCLSA-N 1 0 292.339 1.290 20 5 CDBDRO Cc1ccc(C[NH2+]Cc2cnc(C)[nH]c2=O)cc1[N+](=O)[O-] ZINC000344335105 362569735 /nfs/dbraw/zinc/56/97/35/362569735.db2.gz RATLHARCYPVDEK-UHFFFAOYSA-N 1 0 288.307 1.997 20 5 CDBDRO Cc1cc(C(=O)NCC(C)(C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000041297427 345107022 /nfs/dbraw/zinc/10/70/22/345107022.db2.gz PZMFZHDNAIIHFU-UHFFFAOYSA-N 1 0 279.340 1.973 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000129261119 345278863 /nfs/dbraw/zinc/27/88/63/345278863.db2.gz NDEGIWSWQGSVIV-PWSUYJOCSA-N 1 0 277.324 1.855 20 5 CDBDRO C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000033093349 345441535 /nfs/dbraw/zinc/44/15/35/345441535.db2.gz ICNNNVGXSVPWHR-SNVBAGLBSA-N 1 0 281.312 1.040 20 5 CDBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)CO ZINC000295136775 199365495 /nfs/dbraw/zinc/36/54/95/199365495.db2.gz BPWGGRQOFILBMR-ZDUSSCGKSA-N 1 0 282.340 1.579 20 5 CDBDRO CN(CCc1ccc([N+](=O)[O-])cc1)CC[NH+](C)C ZINC000610487465 346292762 /nfs/dbraw/zinc/29/27/62/346292762.db2.gz MWJVLFMCGQMEHE-UHFFFAOYSA-N 1 0 251.330 1.631 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000610541802 346308020 /nfs/dbraw/zinc/30/80/20/346308020.db2.gz ZCNLSDISCFZSLW-LLVKDONJSA-N 1 0 297.380 1.815 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000545161482 362693503 /nfs/dbraw/zinc/69/35/03/362693503.db2.gz XABBMTXZOSCVER-WFASDCNBSA-N 1 0 293.367 1.620 20 5 CDBDRO CC(C)(C)[C@@H](CN)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000420367074 535041065 /nfs/dbraw/zinc/04/10/65/535041065.db2.gz SAWOMHAOJVUMFR-CYBMUJFWSA-N 1 0 281.356 1.937 20 5 CDBDRO O=C(CC[NH2+]C1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000611012434 346576596 /nfs/dbraw/zinc/57/65/96/346576596.db2.gz REOSIPXLIMVHJQ-UHFFFAOYSA-N 1 0 293.323 1.692 20 5 CDBDRO CC[N@@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611092020 346605530 /nfs/dbraw/zinc/60/55/30/346605530.db2.gz GSTLZNLIPDVFNW-ZDUSSCGKSA-N 1 0 293.367 2.000 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)CC2CC2)cc1 ZINC000611108186 346609723 /nfs/dbraw/zinc/60/97/23/346609723.db2.gz BISXCPNGYMJEAL-LBPRGKRZSA-N 1 0 250.298 1.845 20 5 CDBDRO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[C@H]1[NH3+] ZINC000122433920 347646319 /nfs/dbraw/zinc/64/63/19/347646319.db2.gz CAMZVKWCSWTURA-TVQRCGJNSA-N 1 0 295.314 1.933 20 5 CDBDRO CCC([NH3+])(CC)CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000122541621 347654690 /nfs/dbraw/zinc/65/46/90/347654690.db2.gz JIKDROBGVIHGAK-UHFFFAOYSA-N 1 0 268.317 1.181 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000086467401 179297126 /nfs/dbraw/zinc/29/71/26/179297126.db2.gz FPCOZYXVIWAJCB-GHMZBOCLSA-N 1 0 277.324 1.726 20 5 CDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c[nH]cn1 ZINC000555140223 290205108 /nfs/dbraw/zinc/20/51/08/290205108.db2.gz RVRZJKFFOLSGFU-UHFFFAOYSA-N 1 0 296.308 1.681 20 5 CDBDRO O=C(CC[N@H+]1CCC[C@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000041886275 348712234 /nfs/dbraw/zinc/71/22/34/348712234.db2.gz ZTVRYGXKPYONBG-ZDUSSCGKSA-N 1 0 293.323 1.380 20 5 CDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000136993478 362938146 /nfs/dbraw/zinc/93/81/46/362938146.db2.gz DIVCHXREBGMUTO-JTQLQIEISA-N 1 0 293.327 1.018 20 5 CDBDRO CCCc1n[nH]c(C(=O)NCC[NH+](CC)CC)c1[N+](=O)[O-] ZINC000069588059 349105460 /nfs/dbraw/zinc/10/54/60/349105460.db2.gz HNZHTGYMHOVBDA-UHFFFAOYSA-N 1 0 297.359 1.342 20 5 CDBDRO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000105932795 186092917 /nfs/dbraw/zinc/09/29/17/186092917.db2.gz AZWTWHZOYLNBIL-RISCZKNCSA-N 1 0 279.340 1.576 20 5 CDBDRO C[C@@H]([NH3+])CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111302049 350460302 /nfs/dbraw/zinc/46/03/02/350460302.db2.gz KOXWELTWBGSWSY-ZCFIWIBFSA-N 1 0 257.677 1.325 20 5 CDBDRO COc1ccc(C[NH2+]CCc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000106467801 186120232 /nfs/dbraw/zinc/12/02/32/186120232.db2.gz GBFOFKTXKLHDCV-UHFFFAOYSA-N 1 0 290.323 1.669 20 5 CDBDRO Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000109848550 186276957 /nfs/dbraw/zinc/27/69/57/186276957.db2.gz FWFCCPCOWZWERO-LLVKDONJSA-N 1 0 277.324 1.585 20 5 CDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000110652172 186311072 /nfs/dbraw/zinc/31/10/72/186311072.db2.gz ISVMOPYRQJTACY-SECBINFHSA-N 1 0 281.287 1.415 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c(F)c1 ZINC000311763028 350713392 /nfs/dbraw/zinc/71/33/92/350713392.db2.gz VELMAQBGURPPGX-GHMZBOCLSA-N 1 0 265.288 1.385 20 5 CDBDRO Nc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc1[N+](=O)[O-] ZINC000312522554 350783383 /nfs/dbraw/zinc/78/33/83/350783383.db2.gz OSMMFDWSXLPOSB-ZJUUUORDSA-N 1 0 277.328 1.611 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCN(C[C@H]3CCCO3)CC2)s1 ZINC000619693854 350835271 /nfs/dbraw/zinc/83/52/71/350835271.db2.gz JHWCEQZWKDKQEY-SNVBAGLBSA-N 1 0 298.368 1.352 20 5 CDBDRO CC[C@@](C)(O)C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000111384749 186410445 /nfs/dbraw/zinc/41/04/45/186410445.db2.gz AOCIUHRFUXTTJY-CQSZACIVSA-N 1 0 298.339 1.863 20 5 CDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000209367989 351120096 /nfs/dbraw/zinc/12/00/96/351120096.db2.gz XZQYKRQHMNQPRR-JUGZCIIYSA-N 1 0 287.319 1.428 20 5 CDBDRO CO[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000167169272 363006759 /nfs/dbraw/zinc/00/67/59/363006759.db2.gz TWQNXOYZCPTXAF-STQMWFEESA-N 1 0 279.340 1.533 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000156157516 351451980 /nfs/dbraw/zinc/45/19/80/351451980.db2.gz JJVRRDIFGSRYTO-ZJUUUORDSA-N 1 0 299.352 1.095 20 5 CDBDRO C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000291723428 198070131 /nfs/dbraw/zinc/07/01/31/198070131.db2.gz IUYJQYFNQJHEGV-JTQLQIEISA-N 1 0 280.328 1.914 20 5 CDBDRO Cc1nn(C)c(NC[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000291923947 198106195 /nfs/dbraw/zinc/10/61/95/198106195.db2.gz RQARFBFQIPUMKQ-QMMMGPOBSA-N 1 0 255.322 1.246 20 5 CDBDRO C[C@@H](CCCC[NH3+])NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000291991985 198127981 /nfs/dbraw/zinc/12/79/81/198127981.db2.gz BGVFNQBVCXTWRA-NSHDSACASA-N 1 0 295.339 1.607 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC[C@](C)(O)C[NH+](C)C ZINC000132934701 187655935 /nfs/dbraw/zinc/65/59/35/187655935.db2.gz PISAURNBTJRBNN-ZDUSSCGKSA-N 1 0 267.329 1.628 20 5 CDBDRO CC1CCC(O)(C[NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000566851499 358470204 /nfs/dbraw/zinc/47/02/04/358470204.db2.gz ZDCYIKVJKBQQBH-UHFFFAOYSA-N 1 0 282.344 1.322 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CCC[NH3+] ZINC000295163537 199380648 /nfs/dbraw/zinc/38/06/48/199380648.db2.gz FDLZYLYZIUHLSR-JTQLQIEISA-N 1 0 265.313 1.760 20 5 CDBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)COC)cc1[N+](=O)[O-] ZINC000153857147 188108504 /nfs/dbraw/zinc/10/85/04/188108504.db2.gz RFXVBXQSBOKIPR-ZYHUDNBSSA-N 1 0 298.339 1.651 20 5 CDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)C[NH+](C)C ZINC000292386652 198268578 /nfs/dbraw/zinc/26/85/78/198268578.db2.gz NGVOCUNJARHZOL-QMMMGPOBSA-N 1 0 271.342 1.584 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000573338161 363346444 /nfs/dbraw/zinc/34/64/44/363346444.db2.gz FOIZWVMHFOOLJI-SUNKGSAMSA-N 1 0 292.335 1.712 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365356628 363349218 /nfs/dbraw/zinc/34/92/18/363349218.db2.gz PHWGAKCPCZZPMT-IUCAKERBSA-N 1 0 281.337 1.480 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000272297783 191641046 /nfs/dbraw/zinc/64/10/46/191641046.db2.gz QCAMLNONZZURTJ-QWRGUYRKSA-N 1 0 293.323 1.169 20 5 CDBDRO CC[N@@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000286261177 356239080 /nfs/dbraw/zinc/23/90/80/356239080.db2.gz AXRFBICXRAHDBK-CYBMUJFWSA-N 1 0 293.367 2.000 20 5 CDBDRO CC[C@H]([NH3+])c1cn(Cc2cccc([N+](=O)[O-])c2C)nn1 ZINC000229935110 356322302 /nfs/dbraw/zinc/32/23/02/356322302.db2.gz YJPWMBJBNADVGL-NSHDSACASA-N 1 0 275.312 1.953 20 5 CDBDRO CCOc1cc(C[N@H+](C)CCC(N)=O)ccc1[N+](=O)[O-] ZINC000286448147 356422595 /nfs/dbraw/zinc/42/25/95/356422595.db2.gz MDDYCTGTGDVBIQ-UHFFFAOYSA-N 1 0 281.312 1.301 20 5 CDBDRO Cc1ccc(C[NH2+][C@H](CO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000359947906 356447500 /nfs/dbraw/zinc/44/75/00/356447500.db2.gz UWZFUZZYQFHORA-CQSZACIVSA-N 1 0 294.351 1.780 20 5 CDBDRO CC(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000037563096 356485722 /nfs/dbraw/zinc/48/57/22/356485722.db2.gz LJEHOXMGRWJLEQ-UHFFFAOYSA-N 1 0 283.353 1.757 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH+](C)C)c1 ZINC000293932029 198832921 /nfs/dbraw/zinc/83/29/21/198832921.db2.gz UEMOCZKUBQZWCX-SNVBAGLBSA-N 1 0 295.339 1.531 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])o1 ZINC000046993267 357151111 /nfs/dbraw/zinc/15/11/11/357151111.db2.gz ZMEXEXMKQZDPNA-NXEZZACHSA-N 1 0 279.296 1.544 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](CC(C)(C)O)CC1 ZINC000071382166 357325979 /nfs/dbraw/zinc/32/59/79/357325979.db2.gz VSLFFHATSMQKAX-UHFFFAOYSA-N 1 0 293.367 1.796 20 5 CDBDRO COCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284139886 357645823 /nfs/dbraw/zinc/64/58/23/357645823.db2.gz ORMNAKNGKXGTFE-YGRLFVJLSA-N 1 0 297.355 1.615 20 5 CDBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNc1ccccc1[N+](=O)[O-] ZINC000264650681 357638446 /nfs/dbraw/zinc/63/84/46/357638446.db2.gz XCIXINSLFVULNW-CYBMUJFWSA-N 1 0 292.339 1.347 20 5 CDBDRO C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000135230046 357799483 /nfs/dbraw/zinc/79/94/83/357799483.db2.gz ASPGVTFQONMRAI-QWRGUYRKSA-N 1 0 277.324 1.346 20 5 CDBDRO Cc1cc(C(=O)N2CCC(C[NH3+])CC2)cc([N+](=O)[O-])c1 ZINC000135216106 357782834 /nfs/dbraw/zinc/78/28/34/357782834.db2.gz JIZWFLLFYHIWES-UHFFFAOYSA-N 1 0 277.324 1.714 20 5 CDBDRO CC[NH+](CC)CCCn1cc([N+](=O)[O-])c(C)cc1=O ZINC000188325714 357878789 /nfs/dbraw/zinc/87/87/89/357878789.db2.gz PXUOHFZBJWGIPR-UHFFFAOYSA-N 1 0 267.329 1.797 20 5 CDBDRO COC(=O)C1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000188673496 357925196 /nfs/dbraw/zinc/92/51/96/357925196.db2.gz VXBUHDNHZXSDPN-UHFFFAOYSA-N 1 0 270.310 1.699 20 5 CDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000408122510 358164456 /nfs/dbraw/zinc/16/44/56/358164456.db2.gz XWUFSEWGOHXAAA-MWLCHTKSSA-N 1 0 293.327 1.017 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000193634369 358311637 /nfs/dbraw/zinc/31/16/37/358311637.db2.gz NCWIIVGLBIZBDZ-GXFFZTMASA-N 1 0 293.323 1.230 20 5 CDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000057159460 366409566 /nfs/dbraw/zinc/40/95/66/366409566.db2.gz GIACIYWCPJCJGB-VIFPVBQESA-N 1 0 267.285 1.402 20 5 CDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567576084 358702577 /nfs/dbraw/zinc/70/25/77/358702577.db2.gz UTCQEHFLJQRUEM-VXGBXAGGSA-N 1 0 293.323 1.282 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000186788610 358823366 /nfs/dbraw/zinc/82/33/66/358823366.db2.gz PXARAUDPOQKKNU-ZWNOBZJWSA-N 1 0 277.324 1.631 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NCC12CCC[NH+]1CCC2 ZINC000287551710 358772768 /nfs/dbraw/zinc/77/27/68/358772768.db2.gz CCDBSVYLPSUBFR-UHFFFAOYSA-N 1 0 265.317 1.369 20 5 CDBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])o1)C1CC1 ZINC000101962021 358867262 /nfs/dbraw/zinc/86/72/62/358867262.db2.gz ZQABRKYXDCNADT-UHFFFAOYSA-N 1 0 267.285 1.402 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000262496341 358841817 /nfs/dbraw/zinc/84/18/17/358841817.db2.gz WQQTWMJZFBNHGJ-SNVBAGLBSA-N 1 0 281.312 1.088 20 5 CDBDRO Cc1nc(N2CC[N@H+](C)[C@@H](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000450478829 358920536 /nfs/dbraw/zinc/92/05/36/358920536.db2.gz JLEDDUKBAZQURF-GFCCVEGCSA-N 1 0 279.344 1.470 20 5 CDBDRO CC[N@H+](C[C@@H](C)OC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000291316995 358929065 /nfs/dbraw/zinc/92/90/65/358929065.db2.gz UGVPAQWBRIMNEW-BXUZGUMPSA-N 1 0 282.340 1.985 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000104187570 358950433 /nfs/dbraw/zinc/95/04/33/358950433.db2.gz PVSWODZJZYPBPF-JTQLQIEISA-N 1 0 263.297 1.276 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](COC(F)F)C2)c1 ZINC000353009834 359055688 /nfs/dbraw/zinc/05/56/88/359055688.db2.gz ROWVAGDDCJWBLS-VIFPVBQESA-N 1 0 290.270 1.352 20 5 CDBDRO COC[C@H](CO)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000353070924 359133814 /nfs/dbraw/zinc/13/38/14/359133814.db2.gz JHOAVTKNPVYNKL-LBPRGKRZSA-N 1 0 282.340 1.815 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[NH2+]C2)c1 ZINC000569802799 359262149 /nfs/dbraw/zinc/26/21/49/359262149.db2.gz GFJSYAJXUMUSPB-SNVBAGLBSA-N 1 0 293.323 1.427 20 5 CDBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000111829040 359267211 /nfs/dbraw/zinc/26/72/11/359267211.db2.gz FCEPIMSIRNOCDT-MRVPVSSYSA-N 1 0 271.342 1.760 20 5 CDBDRO CC[C@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000339037621 359277803 /nfs/dbraw/zinc/27/78/03/359277803.db2.gz NDFXUNQHVWRKDR-JQWIXIFHSA-N 1 0 280.328 1.247 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000112925361 359365186 /nfs/dbraw/zinc/36/51/86/359365186.db2.gz NMKMNECXLVBDCU-UHFFFAOYSA-N 1 0 281.312 1.285 20 5 CDBDRO Cc1nc(NCCC[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000296597112 199941595 /nfs/dbraw/zinc/94/15/95/199941595.db2.gz SKZDVPBAMVVUFY-UHFFFAOYSA-N 1 0 279.344 1.981 20 5 CDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CCC[NH2+]C1 ZINC000050162339 359352798 /nfs/dbraw/zinc/35/27/98/359352798.db2.gz DUAHZFZTIZLBJB-NXEZZACHSA-N 1 0 280.328 1.051 20 5 CDBDRO CC(C)C[C@H]([NH3+])c1noc(CCn2cc([N+](=O)[O-])cn2)n1 ZINC000339360393 359384172 /nfs/dbraw/zinc/38/41/72/359384172.db2.gz KMMWDSAXYWTMNR-JTQLQIEISA-N 1 0 294.315 1.463 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CO)CC(F)(F)F)c1 ZINC000339791707 359444721 /nfs/dbraw/zinc/44/47/21/359444721.db2.gz ZTECDJMYVKDUIR-SECBINFHSA-N 1 0 278.230 1.998 20 5 CDBDRO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000159457282 359481212 /nfs/dbraw/zinc/48/12/12/359481212.db2.gz LFYIAAIWSLTZDK-FZMZJTMJSA-N 1 0 264.325 1.840 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2COCCO2)c(F)c1 ZINC000336809942 359586807 /nfs/dbraw/zinc/58/68/07/359586807.db2.gz GQPORCFKMIRVBG-LLVKDONJSA-N 1 0 270.260 1.239 20 5 CDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408391977 359727990 /nfs/dbraw/zinc/72/79/90/359727990.db2.gz AMYOVOOGGCNOPI-MNOVXSKESA-N 1 0 292.339 1.622 20 5 CDBDRO Nc1c(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc(F)cc1[N+](=O)[O-] ZINC000262579840 283477750 /nfs/dbraw/zinc/47/77/50/283477750.db2.gz LOYQFPXLKGHWPD-XVKPBYJWSA-N 1 0 296.302 1.173 20 5 CDBDRO Nc1ccc(C(=O)N2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237957491 283498968 /nfs/dbraw/zinc/49/89/68/283498968.db2.gz XUYSKCUUVZVFHQ-SNVBAGLBSA-N 1 0 278.312 1.130 20 5 CDBDRO C[C@]1(C(=O)NCc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000062903213 360029350 /nfs/dbraw/zinc/02/93/50/360029350.db2.gz LVRDAMAVQMYSFX-ZDUSSCGKSA-N 1 0 263.297 1.211 20 5 CDBDRO Cc1cc(NC[C@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC000134273812 360104581 /nfs/dbraw/zinc/10/45/81/360104581.db2.gz UHPHNNGEDSCHBN-LLVKDONJSA-N 1 0 251.286 1.304 20 5 CDBDRO Cn1c(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000487447292 360370983 /nfs/dbraw/zinc/37/09/83/360370983.db2.gz VLVYCEJGEGEVFZ-MNOVXSKESA-N 1 0 294.355 1.536 20 5 CDBDRO Cc1c(C[N@@H+]2CC[C@@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000177995571 189084340 /nfs/dbraw/zinc/08/43/40/189084340.db2.gz XLCMAHHYDCHWPL-CYBMUJFWSA-N 1 0 250.298 1.860 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000162871487 360642458 /nfs/dbraw/zinc/64/24/58/360642458.db2.gz NLFGYBYHBVTDPZ-NSHDSACASA-N 1 0 294.355 1.640 20 5 CDBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000180631748 189266840 /nfs/dbraw/zinc/26/68/40/189266840.db2.gz XCOWQSCDGQXCFC-GFCCVEGCSA-N 1 0 295.339 1.190 20 5 CDBDRO Cc1cccc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC000070075673 361237105 /nfs/dbraw/zinc/23/71/05/361237105.db2.gz VJTNJCCIUBNASN-GHMZBOCLSA-N 1 0 277.324 1.726 20 5 CDBDRO Cc1c(CC(=O)N2CC([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000135029841 361680536 /nfs/dbraw/zinc/68/05/36/361680536.db2.gz QADQLIYPRUIYLN-UHFFFAOYSA-N 1 0 277.324 1.218 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000580755722 363943928 /nfs/dbraw/zinc/94/39/28/363943928.db2.gz AHOCRQPQJRQJLL-CMPLNLGQSA-N 1 0 277.324 1.724 20 5 CDBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](CCn4cc([N+](=O)[O-])cn4)[C@H]1[C@H]3C2 ZINC000367582954 363993241 /nfs/dbraw/zinc/99/32/41/363993241.db2.gz ACRPDPXJOZMENG-OIAGVMEESA-N 1 0 292.339 1.147 20 5 CDBDRO C[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])[NH+](C)C ZINC000037985919 364009654 /nfs/dbraw/zinc/00/96/54/364009654.db2.gz TZUAJDOEBGVDDA-MRVPVSSYSA-N 1 0 291.311 1.193 20 5 CDBDRO C[NH2+]CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000121316301 364324319 /nfs/dbraw/zinc/32/43/19/364324319.db2.gz XGZMWZKONCUGSY-UHFFFAOYSA-N 1 0 285.731 1.516 20 5 CDBDRO CC(C)[NH+](CCNC(=O)c1c[nH]nc1[N+](=O)[O-])C(C)C ZINC000573061669 364884119 /nfs/dbraw/zinc/88/41/19/364884119.db2.gz CNOWPYXYWWUPCZ-UHFFFAOYSA-N 1 0 283.332 1.167 20 5 CDBDRO Cc1cnc(NCC[N@@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000275374997 193012884 /nfs/dbraw/zinc/01/28/84/193012884.db2.gz AEAILFLQJWYGJT-UHFFFAOYSA-N 1 0 280.328 1.432 20 5 CDBDRO C[C@@H](O)C[NH+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000275417290 193027963 /nfs/dbraw/zinc/02/79/63/193027963.db2.gz FLEMHRKUOJUGJE-OLZOCXBDSA-N 1 0 293.367 1.654 20 5 CDBDRO Cc1c(C[N@H+](CCO)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000275492145 193058229 /nfs/dbraw/zinc/05/82/29/193058229.db2.gz FXVOBDPQTVCDOI-UHFFFAOYSA-N 1 0 294.351 1.877 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCO)CC2)c(Cl)c1 ZINC000270481916 366887430 /nfs/dbraw/zinc/88/74/30/366887430.db2.gz BBOBALGOXXYAQY-UHFFFAOYSA-N 1 0 299.758 1.799 20 5 CDBDRO COc1cccc(-c2nc(C3([NH3+])CCC3)no2)c1[N+](=O)[O-] ZINC000414626673 241283483 /nfs/dbraw/zinc/28/34/83/241283483.db2.gz KGCNAEDZMOENKP-UHFFFAOYSA-N 1 0 290.279 1.991 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414664642 241309661 /nfs/dbraw/zinc/30/96/61/241309661.db2.gz UBNMFLGLEZOEQJ-MRVPVSSYSA-N 1 0 252.274 1.311 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(OC[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000386501088 367013229 /nfs/dbraw/zinc/01/32/29/367013229.db2.gz AQBIELVYHOXZRB-LLVKDONJSA-N 1 0 296.323 1.437 20 5 CDBDRO CCOc1cc(N2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000090322688 367031201 /nfs/dbraw/zinc/03/12/01/367031201.db2.gz GKRQPIKDGDGKNW-QWRGUYRKSA-N 1 0 277.324 1.649 20 5 CDBDRO C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000094340331 367334004 /nfs/dbraw/zinc/33/40/04/367334004.db2.gz CTBJIAAQLKOKHI-APPZFPTMSA-N 1 0 269.326 1.466 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000272231158 367565557 /nfs/dbraw/zinc/56/55/57/367565557.db2.gz JUQLIQVDWCYXIH-WDEREUQCSA-N 1 0 292.339 1.202 20 5 CDBDRO C[NH2+]CCN(C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417148004 242336257 /nfs/dbraw/zinc/33/62/57/242336257.db2.gz ZZURRFAVTSEMLE-JTQLQIEISA-N 1 0 280.328 1.517 20 5 CDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC1CC[NH2+]CC1 ZINC000417233897 242372648 /nfs/dbraw/zinc/37/26/48/242372648.db2.gz PAIXVPJDRHDYDZ-UHFFFAOYSA-N 1 0 292.339 1.189 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272628265 367783991 /nfs/dbraw/zinc/78/39/91/367783991.db2.gz MVDAFGKHMWGCSU-RISCZKNCSA-N 1 0 289.335 1.761 20 5 CDBDRO C[C@H](NC(=O)N1CC[C@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000418238075 242813259 /nfs/dbraw/zinc/81/32/59/242813259.db2.gz WQKMLMXZONFQCR-WDEREUQCSA-N 1 0 292.339 1.646 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000418473911 243121758 /nfs/dbraw/zinc/12/17/58/243121758.db2.gz PBUXPUORGHNXLQ-JTQLQIEISA-N 1 0 294.355 1.724 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2CCCCCC2)c1 ZINC000389724928 368840724 /nfs/dbraw/zinc/84/07/24/368840724.db2.gz HQVBKXQYPZNQFM-CQSZACIVSA-N 1 0 296.371 1.712 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000089106312 368975038 /nfs/dbraw/zinc/97/50/38/368975038.db2.gz ZBJLMZGJXXSMCE-JSGCOSHPSA-N 1 0 291.351 1.771 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH2+][C@H](C)C1 ZINC000420339089 244110158 /nfs/dbraw/zinc/11/01/58/244110158.db2.gz QJDGNDVSNPHGNP-LLVKDONJSA-N 1 0 292.339 1.135 20 5 CDBDRO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1[NH3+] ZINC000420381013 244176460 /nfs/dbraw/zinc/17/64/60/244176460.db2.gz RPDFHZPZXQLCMA-PSASIEDQSA-N 1 0 276.296 1.515 20 5 CDBDRO CC[C@H](NC[C@@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330889416 203357978 /nfs/dbraw/zinc/35/79/78/203357978.db2.gz VEQMYJRFEGSETG-GJZGRUSLSA-N 1 0 293.367 1.702 20 5 CDBDRO C[C@@H](Cn1cc([N+](=O)[O-])cc(Cl)c1=O)[NH+](C)C ZINC000330891936 203359687 /nfs/dbraw/zinc/35/96/87/203359687.db2.gz XLWNAYJHIWFLAL-ZETCQYMHSA-N 1 0 259.693 1.360 20 5 CDBDRO CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000290074356 369777059 /nfs/dbraw/zinc/77/70/59/369777059.db2.gz GIOSZBAFJSQHCO-XDTLVQLUSA-N 1 0 266.297 1.659 20 5 CDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000367791472 370469352 /nfs/dbraw/zinc/46/93/52/370469352.db2.gz JKCVYLFYXGVUDL-VXGBXAGGSA-N 1 0 293.371 1.387 20 5 CDBDRO Cc1c(CNC(=O)NC(C)(C)CC[NH3+])cccc1[N+](=O)[O-] ZINC000422622732 245139446 /nfs/dbraw/zinc/13/94/46/245139446.db2.gz SUOAVTAWLBLXAW-UHFFFAOYSA-N 1 0 294.355 1.830 20 5 CDBDRO Cc1c(CC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000422845668 245323800 /nfs/dbraw/zinc/32/38/00/245323800.db2.gz ONZHSTBLBXPHCF-MFKMUULPSA-N 1 0 291.351 1.641 20 5 CDBDRO NC(=O)C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000367983042 371268749 /nfs/dbraw/zinc/26/87/49/371268749.db2.gz MRFFHOFUXJYCFC-LLVKDONJSA-N 1 0 293.323 1.171 20 5 CDBDRO CCC(CC)(CC)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000086642539 371944813 /nfs/dbraw/zinc/94/48/13/371944813.db2.gz UWRGUEXWPPBOCT-LBPRGKRZSA-N 1 0 284.360 1.711 20 5 CDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000266329696 372423280 /nfs/dbraw/zinc/42/32/80/372423280.db2.gz UIGSHAIAPGQGDD-SNVBAGLBSA-N 1 0 280.328 1.479 20 5 CDBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000298474119 373665994 /nfs/dbraw/zinc/66/59/94/373665994.db2.gz CKOCKDYPASWOIX-KBPBESRZSA-N 1 0 289.335 1.951 20 5 CDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)O ZINC000341646932 373886492 /nfs/dbraw/zinc/88/64/92/373886492.db2.gz YKKWUBCSQBNZAD-SNVBAGLBSA-N 1 0 295.339 1.672 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000036282225 373872359 /nfs/dbraw/zinc/87/23/59/373872359.db2.gz GOCPKVVQGXVZCH-UHFFFAOYSA-N 1 0 265.313 1.633 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423689134 245983658 /nfs/dbraw/zinc/98/36/58/245983658.db2.gz BZJJWBCVWGLXOD-VHSXEESVSA-N 1 0 292.339 1.424 20 5 CDBDRO C[C@H](NC(=O)NCCCC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000418234301 374259981 /nfs/dbraw/zinc/25/99/81/374259981.db2.gz PWNKEXANOBAVCU-JTQLQIEISA-N 1 0 280.328 1.694 20 5 CDBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1c([N+](=O)[O-])ncn1C ZINC000370056165 374377335 /nfs/dbraw/zinc/37/73/35/374377335.db2.gz OYVPLWGPRARDCP-VXGBXAGGSA-N 1 0 293.371 1.387 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1c(OCC)cccc1[N+](=O)[O-] ZINC000423468740 374383754 /nfs/dbraw/zinc/38/37/54/374383754.db2.gz USZSGVZRBQCMEK-UHFFFAOYSA-N 1 0 295.339 1.723 20 5 CDBDRO C[C@H](NC[C@@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000423527560 374387783 /nfs/dbraw/zinc/38/77/83/374387783.db2.gz RWXCVSLYULSYSW-GWCFXTLKSA-N 1 0 265.313 1.234 20 5 CDBDRO [NH3+][C@@H]1CCCC[C@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000424336712 374408470 /nfs/dbraw/zinc/40/84/70/374408470.db2.gz QRZAPMJZPXHOCE-VXGBXAGGSA-N 1 0 279.340 1.833 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000375779173 374512325 /nfs/dbraw/zinc/51/23/25/374512325.db2.gz WNRFDFKNHIFUQQ-YPMHNXCESA-N 1 0 292.339 1.025 20 5 CDBDRO CN(CC[NH3+])C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000423998270 246279406 /nfs/dbraw/zinc/27/94/06/246279406.db2.gz ASHNNTMGZBTJGO-UHFFFAOYSA-N 1 0 265.313 1.290 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC3CCC2CC3)c1 ZINC000378378442 374644190 /nfs/dbraw/zinc/64/41/90/374644190.db2.gz FNDSWHKIJPIYOW-XIVSLSHWSA-N 1 0 280.328 1.027 20 5 CDBDRO COc1ccc(C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000070145467 374649743 /nfs/dbraw/zinc/64/97/43/374649743.db2.gz ROFXGRGCYYFINL-KOLCDFICSA-N 1 0 293.323 1.413 20 5 CDBDRO Cc1ccnc(N2CCC[C@H](CC[NH3+])C2)c1[N+](=O)[O-] ZINC000070496725 374664282 /nfs/dbraw/zinc/66/42/82/374664282.db2.gz HACIWDKKQCHXFV-LLVKDONJSA-N 1 0 264.329 1.863 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000070578176 374665824 /nfs/dbraw/zinc/66/58/24/374665824.db2.gz XKCFVFMGSGGOKL-NWDGAFQWSA-N 1 0 277.324 1.729 20 5 CDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000094340096 374830872 /nfs/dbraw/zinc/83/08/72/374830872.db2.gz MPCLBTBXZBFLMI-CABZTGNLSA-N 1 0 263.297 1.404 20 5 CDBDRO C[C@H](CCO)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331005674 374880060 /nfs/dbraw/zinc/88/00/60/374880060.db2.gz LKZJXCIQLIBGDB-WOPDTQHZSA-N 1 0 282.344 1.636 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC=CCC1 ZINC000279924787 374976085 /nfs/dbraw/zinc/97/60/85/374976085.db2.gz GKSMUHVFCOPPJD-UHFFFAOYSA-N 1 0 289.335 1.895 20 5 CDBDRO CCC(=O)c1ccc(NC[C@@](C)([NH3+])COC)c([N+](=O)[O-])c1 ZINC000280838288 375025967 /nfs/dbraw/zinc/02/59/67/375025967.db2.gz ZWDJCYZJDHKSCB-CQSZACIVSA-N 1 0 295.339 1.963 20 5 CDBDRO C[C@@]1(C(N)=O)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000280827807 375026758 /nfs/dbraw/zinc/02/67/58/375026758.db2.gz VRDJPPLFOCSONF-CQSZACIVSA-N 1 0 293.323 1.171 20 5 CDBDRO COc1ccc(NC(=O)N2CC([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000332435278 375029723 /nfs/dbraw/zinc/02/97/23/375029723.db2.gz IMXBKISFWZJVTA-UHFFFAOYSA-N 1 0 294.311 1.381 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+](C)C)c1 ZINC000283169187 375110336 /nfs/dbraw/zinc/11/03/36/375110336.db2.gz DCRYSNZERMMKHF-UHFFFAOYSA-N 1 0 281.312 1.285 20 5 CDBDRO CC[C@@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000282369167 375082620 /nfs/dbraw/zinc/08/26/20/375082620.db2.gz BXYAKBQXMAIFBY-AWEZNQCLSA-N 1 0 293.367 1.936 20 5 CDBDRO C[C@@H](O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000282533008 375092346 /nfs/dbraw/zinc/09/23/46/375092346.db2.gz QQKDXPUTLNBSQL-LLVKDONJSA-N 1 0 297.330 1.232 20 5 CDBDRO Cc1c(CN2CC[C@@H](S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000282123485 375067996 /nfs/dbraw/zinc/06/79/96/375067996.db2.gz JQADSUZHYJWYLO-GFCCVEGCSA-N 1 0 298.364 1.522 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351754315 375327469 /nfs/dbraw/zinc/32/74/69/375327469.db2.gz IYBIOVLIWMKDDY-NXEZZACHSA-N 1 0 293.323 1.413 20 5 CDBDRO O=C(CC[N@H+]1CC[C@@H](CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000304433483 375448644 /nfs/dbraw/zinc/44/86/44/375448644.db2.gz QAAUZWPCUYIWII-LLVKDONJSA-N 1 0 293.323 1.238 20 5 CDBDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000162746561 375504076 /nfs/dbraw/zinc/50/40/76/375504076.db2.gz PHQBKLXCQYAFMM-PWSUYJOCSA-N 1 0 250.298 1.798 20 5 CDBDRO CSc1ccc(C(=O)N2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000132531552 375515740 /nfs/dbraw/zinc/51/57/40/375515740.db2.gz HNUFYNXCICQGBG-VIFPVBQESA-N 1 0 281.337 1.490 20 5 CDBDRO Cc1ccc(C[NH2+]C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000133159986 375701975 /nfs/dbraw/zinc/70/19/75/375701975.db2.gz HBCBZJCRVMAHGW-UHFFFAOYSA-N 1 0 250.298 1.908 20 5 CDBDRO Cn1c(C(=O)NCC[N@H+](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000355190485 375782409 /nfs/dbraw/zinc/78/24/09/375782409.db2.gz PUZUNNYYYMEPJI-UHFFFAOYSA-N 1 0 294.355 1.538 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C[NH3+] ZINC000163712685 375769174 /nfs/dbraw/zinc/76/91/74/375769174.db2.gz FFDFRYXNOCXQAX-ZJUUUORDSA-N 1 0 295.314 1.791 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)CC(N)=O ZINC000347355967 375819482 /nfs/dbraw/zinc/81/94/82/375819482.db2.gz JXCQGOWSFUPJDJ-UXBLZVDNSA-N 1 0 263.297 1.415 20 5 CDBDRO C[NH+](C)CCN(C(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000356285792 375831261 /nfs/dbraw/zinc/83/12/61/375831261.db2.gz VTKZQVSIFWENMG-UHFFFAOYSA-N 1 0 283.353 1.823 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCN2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357086338 375884044 /nfs/dbraw/zinc/88/40/44/375884044.db2.gz UZKDORMDUDRVGR-STQMWFEESA-N 1 0 291.351 1.515 20 5 CDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+]CC1 ZINC000032053164 375870647 /nfs/dbraw/zinc/87/06/47/375870647.db2.gz PENLQWZYYHAGGC-JTQLQIEISA-N 1 0 295.364 1.507 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000229822507 375960286 /nfs/dbraw/zinc/96/02/86/375960286.db2.gz CFLNKUZDYALQLF-YVMONPNESA-N 1 0 289.335 1.772 20 5 CDBDRO C[N@@H+]1CC[C@](O)(CNc2ccccc2[N+](=O)[O-])C1 ZINC000358325093 375960623 /nfs/dbraw/zinc/96/06/23/375960623.db2.gz AJKBMLNYCGFPIE-LBPRGKRZSA-N 1 0 251.286 1.073 20 5 CDBDRO Cc1c(NC(=O)C[C@H]2COCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000130214158 376117375 /nfs/dbraw/zinc/11/73/75/376117375.db2.gz LAYWSETXDROBRI-JTQLQIEISA-N 1 0 279.296 1.220 20 5 CDBDRO COCC[C@@](C)(O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000172072150 377241002 /nfs/dbraw/zinc/24/10/02/377241002.db2.gz WOJBXAVPROUTPN-LLVKDONJSA-N 1 0 274.342 1.533 20 5 CDBDRO CCc1nn(C)c(N[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000091562363 377896716 /nfs/dbraw/zinc/89/67/16/377896716.db2.gz KRKVXTKMQJGTPP-MRVPVSSYSA-N 1 0 253.306 1.055 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000192078978 378174873 /nfs/dbraw/zinc/17/48/73/378174873.db2.gz NGDNBSLFSCBEHZ-VHSXEESVSA-N 1 0 279.340 1.929 20 5 CDBDRO C[NH+]1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173400623 378309002 /nfs/dbraw/zinc/30/90/02/378309002.db2.gz QKJMTDHEJMXZNQ-UHFFFAOYSA-N 1 0 277.324 1.348 20 5 CDBDRO CCOC1CC(O)(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000444019231 250073889 /nfs/dbraw/zinc/07/38/89/250073889.db2.gz WVWODUCMAWCFEM-UHFFFAOYSA-N 1 0 298.314 1.754 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCOC1 ZINC000174853184 379591877 /nfs/dbraw/zinc/59/18/77/379591877.db2.gz DAXCGZOSJURJRI-NSHDSACASA-N 1 0 268.317 1.150 20 5 CDBDRO CCC(CC)C[N@H+](CC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174730603 379557503 /nfs/dbraw/zinc/55/75/03/379557503.db2.gz VOXUTRXXPWXPKW-AWEZNQCLSA-N 1 0 298.387 1.910 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CCOCC1 ZINC000449126771 250704368 /nfs/dbraw/zinc/70/43/68/250704368.db2.gz NAQKVHNGIDEKIV-GFCCVEGCSA-N 1 0 294.351 1.657 20 5 CDBDRO Cc1nc(NCCC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000450229718 251183883 /nfs/dbraw/zinc/18/38/83/251183883.db2.gz XQXLCGCQTXBJSQ-UHFFFAOYSA-N 1 0 265.317 1.013 20 5 CDBDRO C[C@H]1C[N@H+](C)CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000491577325 253091826 /nfs/dbraw/zinc/09/18/26/253091826.db2.gz VMGQIDZVJHAZNT-GUOLPTJISA-N 1 0 289.335 1.771 20 5 CDBDRO CC[C@@]1(O)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000495207609 253696125 /nfs/dbraw/zinc/69/61/25/253696125.db2.gz YHEGJENXSHALSX-CQSZACIVSA-N 1 0 280.324 1.820 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000375779172 285166180 /nfs/dbraw/zinc/16/61/80/285166180.db2.gz WNRFDFKNHIFUQQ-WCQYABFASA-N 1 0 292.339 1.025 20 5 CDBDRO CC[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCCO1 ZINC000281355526 195208809 /nfs/dbraw/zinc/20/88/09/195208809.db2.gz KXBGEEZHEPGWKP-LLVKDONJSA-N 1 0 268.317 1.292 20 5 CDBDRO C[C@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163537071 390403276 /nfs/dbraw/zinc/40/32/76/390403276.db2.gz XNNHSMCQEZAQLF-AAEUAGOBSA-N 1 0 291.351 1.581 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163648816 390426223 /nfs/dbraw/zinc/42/62/23/390426223.db2.gz UAHAHVGDUAZUKH-ZJUUUORDSA-N 1 0 295.314 1.791 20 5 CDBDRO CC(C)[C@@H](C[NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000433159785 390496910 /nfs/dbraw/zinc/49/69/10/390496910.db2.gz FRJJEQFZBLUZGW-CQSZACIVSA-N 1 0 291.351 1.710 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000261613663 390476887 /nfs/dbraw/zinc/47/68/87/390476887.db2.gz SVGGQDLNEVIWHT-CBAPKCEASA-N 1 0 283.715 1.810 20 5 CDBDRO Cc1cccc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000320679473 390482324 /nfs/dbraw/zinc/48/23/24/390482324.db2.gz KYWQYTYXADGVDV-ZJUUUORDSA-N 1 0 265.313 1.759 20 5 CDBDRO CCC[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000450888159 390569132 /nfs/dbraw/zinc/56/91/32/390569132.db2.gz ZXADZTOTPZAPJO-GFCCVEGCSA-N 1 0 282.344 1.589 20 5 CDBDRO CCC[C@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000450888160 390570656 /nfs/dbraw/zinc/57/06/56/390570656.db2.gz ZXADZTOTPZAPJO-LBPRGKRZSA-N 1 0 282.344 1.589 20 5 CDBDRO C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000430943149 390942475 /nfs/dbraw/zinc/94/24/75/390942475.db2.gz GLRAAFIIZKMQFK-AOOOYVTPSA-N 1 0 267.304 1.916 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000186837612 391102097 /nfs/dbraw/zinc/10/20/97/391102097.db2.gz IDKTUWLISIRRAO-JOYOIKCWSA-N 1 0 263.297 1.323 20 5 CDBDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000236974792 391126735 /nfs/dbraw/zinc/12/67/35/391126735.db2.gz LUWVQTPPCSKXKA-ZWNOBZJWSA-N 1 0 279.340 1.627 20 5 CDBDRO C[N@H+]1CC=C(CNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413220569 391179923 /nfs/dbraw/zinc/17/99/23/391179923.db2.gz GQWQACOPHVVDKB-UHFFFAOYSA-N 1 0 266.276 1.803 20 5 CDBDRO C[N@@H+]1CCC[C@H](CCNc2ncc([N+](=O)[O-])s2)C1 ZINC000413431513 391214391 /nfs/dbraw/zinc/21/43/91/391214391.db2.gz AUHHCSQKOSXHEK-SECBINFHSA-N 1 0 270.358 1.617 20 5 CDBDRO C[C@@]1(C(=O)N2CCc3c2cccc3[N+](=O)[O-])CC[NH2+]C1 ZINC000521028515 391481754 /nfs/dbraw/zinc/48/17/54/391481754.db2.gz OKGVZXUFIAZRKC-CQSZACIVSA-N 1 0 275.308 1.484 20 5 CDBDRO COC[C@](C)([NH3+])CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000440590098 391416291 /nfs/dbraw/zinc/41/62/91/391416291.db2.gz SEFQIOPXQHSIMB-LLVKDONJSA-N 1 0 275.255 1.649 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000449602521 391644183 /nfs/dbraw/zinc/64/41/83/391644183.db2.gz UBVVPLVNVVOVDG-MRVPVSSYSA-N 1 0 267.285 1.071 20 5 CDBDRO C[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000228053571 391914953 /nfs/dbraw/zinc/91/49/53/391914953.db2.gz CJQWVKXCZAWWOX-MISXGVKJSA-N 1 0 280.324 1.785 20 5 CDBDRO CO[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000487987899 391930082 /nfs/dbraw/zinc/93/00/82/391930082.db2.gz LZPJYACIVMFSSQ-OKILXGFUSA-N 1 0 280.324 1.483 20 5 CDBDRO CCC[C@H](C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438842877 391932986 /nfs/dbraw/zinc/93/29/86/391932986.db2.gz PWTYTXWALSRRLX-CMPLNLGQSA-N 1 0 270.333 1.273 20 5 CDBDRO CN(C(=O)COc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000237078997 131002940 /nfs/dbraw/zinc/00/29/40/131002940.db2.gz WOQAXHCYBZEBAK-UHFFFAOYSA-N 1 0 293.323 1.184 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000237923640 131065595 /nfs/dbraw/zinc/06/55/95/131065595.db2.gz FHTFFOIBSYKWDQ-VIFPVBQESA-N 1 0 283.715 1.350 20 5 CDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261625360 131157911 /nfs/dbraw/zinc/15/79/11/131157911.db2.gz ARLZKZGBKSFEQQ-NEPJUHHUSA-N 1 0 275.308 1.276 20 5 CDBDRO Nc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000262629875 131244355 /nfs/dbraw/zinc/24/43/55/131244355.db2.gz NHYQQKSDGMVIAZ-PWSUYJOCSA-N 1 0 292.339 1.424 20 5 CDBDRO O=C(C[NH2+]CC1CC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000262632833 131244422 /nfs/dbraw/zinc/24/44/22/131244422.db2.gz LLEPXIVABZWILX-UHFFFAOYSA-N 1 0 275.308 1.484 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000262802064 131263143 /nfs/dbraw/zinc/26/31/43/131263143.db2.gz OANWPHXDMSNFIP-LDYMZIIASA-N 1 0 281.287 1.462 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000262886854 131271167 /nfs/dbraw/zinc/27/11/67/131271167.db2.gz WMCMSEOZRSIARC-ZWNOBZJWSA-N 1 0 277.324 1.631 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CC[NH2+]1 ZINC000262904768 131272460 /nfs/dbraw/zinc/27/24/60/131272460.db2.gz QAEDVNVXMULQCM-IUCAKERBSA-N 1 0 278.312 1.047 20 5 CDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000262912990 131273183 /nfs/dbraw/zinc/27/31/83/131273183.db2.gz YQWUFBRFZYKHBL-PWSUYJOCSA-N 1 0 277.324 1.252 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000122323037 392537654 /nfs/dbraw/zinc/53/76/54/392537654.db2.gz IVRSXFRFKLTPHT-VIFPVBQESA-N 1 0 267.260 1.297 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000264888551 131518023 /nfs/dbraw/zinc/51/80/23/131518023.db2.gz JLAQVNPOWBHCHG-UHFFFAOYSA-N 1 0 281.312 1.285 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000442762044 392492515 /nfs/dbraw/zinc/49/25/15/392492515.db2.gz ZPMIZKGIDRBBEV-ZJUUUORDSA-N 1 0 290.323 1.905 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000459765782 392505595 /nfs/dbraw/zinc/50/55/95/392505595.db2.gz ZUNSEMYNNZYKBA-NWDGAFQWSA-N 1 0 252.270 1.098 20 5 CDBDRO C[NH+](C)C1CN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000270873270 392508483 /nfs/dbraw/zinc/50/84/83/392508483.db2.gz NVVPYCIANWANMZ-UHFFFAOYSA-N 1 0 267.314 1.054 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@]2(O)CCSC2)c1 ZINC000267087534 131818421 /nfs/dbraw/zinc/81/84/21/131818421.db2.gz TZAPZOACWZHEHG-LBPRGKRZSA-N 1 0 268.338 1.552 20 5 CDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000269165075 132123279 /nfs/dbraw/zinc/12/32/79/132123279.db2.gz COORMEJWWQVRNO-SECBINFHSA-N 1 0 297.742 1.930 20 5 CDBDRO C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000269205101 132131052 /nfs/dbraw/zinc/13/10/52/132131052.db2.gz LPBOKIRPHKCATC-GHMZBOCLSA-N 1 0 292.339 1.202 20 5 CDBDRO [NH3+][C@@H]1CC[C@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000269225958 132136597 /nfs/dbraw/zinc/13/65/97/132136597.db2.gz FGHOMFFGFVYNNV-WCBMZHEXSA-N 1 0 297.742 1.992 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000423672265 392966203 /nfs/dbraw/zinc/96/62/03/392966203.db2.gz DLNDSKZEBAFNRB-LLVKDONJSA-N 1 0 279.340 1.987 20 5 CDBDRO Cc1c(CC(=O)N[C@@H](C)[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000423683934 392967105 /nfs/dbraw/zinc/96/71/05/392967105.db2.gz QSANKRWUHFJPGM-ZJUUUORDSA-N 1 0 265.313 1.298 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1CCO ZINC000430223258 393095577 /nfs/dbraw/zinc/09/55/77/393095577.db2.gz URKHRCCCSVTKRH-LBPRGKRZSA-N 1 0 280.324 1.950 20 5 CDBDRO C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000430932393 393104599 /nfs/dbraw/zinc/10/45/99/393104599.db2.gz GDMIPOVDMSFGSX-NEPJUHHUSA-N 1 0 279.340 1.643 20 5 CDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH3+])C1 ZINC000430935615 393105483 /nfs/dbraw/zinc/10/54/83/393105483.db2.gz UMOPNSWNOPUXMI-MNOVXSKESA-N 1 0 292.339 1.202 20 5 CDBDRO C[N@@H+]1CC[C@@H](C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000530987600 393057863 /nfs/dbraw/zinc/05/78/63/393057863.db2.gz FZKNQLVSYLFTGQ-LLVKDONJSA-N 1 0 291.351 1.898 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)C(N)=O ZINC000449217781 393131954 /nfs/dbraw/zinc/13/19/54/393131954.db2.gz BRJYOIYQZVPDFM-SNVBAGLBSA-N 1 0 279.340 1.627 20 5 CDBDRO COC[C@@]1(CO)CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000449698649 393138675 /nfs/dbraw/zinc/13/86/75/393138675.db2.gz NNHYWSHWBMHLQZ-HNNXBMFYSA-N 1 0 294.351 1.734 20 5 CDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1cc(N)ccc1[N+](=O)[O-] ZINC000193434985 393340532 /nfs/dbraw/zinc/34/05/32/393340532.db2.gz POIOXHKPXZQSLV-LLVKDONJSA-N 1 0 278.356 1.955 20 5 CDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000275762708 135111831 /nfs/dbraw/zinc/11/18/31/135111831.db2.gz FOZDXYGNQNFGHN-LLVKDONJSA-N 1 0 294.355 1.271 20 5 CDBDRO O=[N+]([O-])c1cc(F)c(NC[C@H]2C[NH2+]CCO2)c(F)c1 ZINC000236206884 140238910 /nfs/dbraw/zinc/23/89/10/140238910.db2.gz VYIYZQLBHXZNCD-MRVPVSSYSA-N 1 0 273.239 1.273 20 5 CDBDRO COCC[C@@](C)(O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255915403 140336025 /nfs/dbraw/zinc/33/60/25/140336025.db2.gz IMCHNPUUEFSIPQ-ZQMJAJRESA-N 1 0 294.351 1.985 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000261592837 140359329 /nfs/dbraw/zinc/35/93/29/140359329.db2.gz YTFNXDUMXKHLQA-IUCAKERBSA-N 1 0 253.277 1.907 20 5 CDBDRO COc1ccc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000261598893 140360834 /nfs/dbraw/zinc/36/08/34/140360834.db2.gz BAHGSBPVWGMSNH-OLZOCXBDSA-N 1 0 291.351 1.645 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000261685435 140375365 /nfs/dbraw/zinc/37/53/65/140375365.db2.gz KGXKSXANIODWIM-WDEREUQCSA-N 1 0 290.323 1.668 20 5 CDBDRO CCc1nn(C)c(N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000261734670 140381980 /nfs/dbraw/zinc/38/19/80/140381980.db2.gz LNSZDTJFNKDOTO-MWLCHTKSSA-N 1 0 279.344 1.079 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH2+]CC1 ZINC000261902174 140406057 /nfs/dbraw/zinc/40/60/57/140406057.db2.gz WUQPGOVLFKBSGR-UHFFFAOYSA-N 1 0 292.339 1.137 20 5 CDBDRO C[NH+](C)C(C)(C)CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000058115066 397606545 /nfs/dbraw/zinc/60/65/45/397606545.db2.gz URHLZMPDTMSWMW-UHFFFAOYSA-N 1 0 295.339 1.430 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000104189404 147186984 /nfs/dbraw/zinc/18/69/84/147186984.db2.gz FDRZLXRPCSSGFZ-SNVBAGLBSA-N 1 0 293.323 1.285 20 5 CDBDRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000184824396 148374896 /nfs/dbraw/zinc/37/48/96/148374896.db2.gz VKGHUNLVZFXMJV-JOYOIKCWSA-N 1 0 295.314 1.868 20 5 CDBDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000310908969 149204474 /nfs/dbraw/zinc/20/44/74/149204474.db2.gz DPMGEIGTZSXKHF-ZETCQYMHSA-N 1 0 255.249 1.087 20 5 CDBDRO COc1ccc(OC[C@@H](O)C[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000314905059 149257631 /nfs/dbraw/zinc/25/76/31/149257631.db2.gz IUVGVBYLDGONLX-NSHDSACASA-N 1 0 296.323 1.437 20 5 CDBDRO C[C@@H]1[C@H](NC(=O)c2csc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343422205 152167086 /nfs/dbraw/zinc/16/70/86/152167086.db2.gz CFOOSGLPSZIXPX-PSASIEDQSA-N 1 0 283.353 1.869 20 5 CDBDRO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])nc2)CCC[N@@H+]1C ZINC000343509300 152205883 /nfs/dbraw/zinc/20/58/83/152205883.db2.gz HZCMSRRISOFDDD-GXSJLCMTSA-N 1 0 250.302 1.884 20 5 CDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)CO ZINC000344791918 152645166 /nfs/dbraw/zinc/64/51/66/152645166.db2.gz LXVQBYGMMNNMRF-SDKXAQGSSA-N 1 0 250.298 1.969 20 5 CDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000345813499 152961751 /nfs/dbraw/zinc/96/17/51/152961751.db2.gz GDUGWFVPNGJAHU-QWHCGFSZSA-N 1 0 277.324 1.599 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCOCC[NH+](C)C)c1 ZINC000345950498 153006332 /nfs/dbraw/zinc/00/63/32/153006332.db2.gz GGRSYHBWIZKNSD-UHFFFAOYSA-N 1 0 295.339 1.211 20 5 CDBDRO COc1cccc(N2CC[C@@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000135060584 286457834 /nfs/dbraw/zinc/45/78/34/286457834.db2.gz UYLQQQBVGNDUMS-NXEZZACHSA-N 1 0 265.313 1.777 20 5 CDBDRO CC[N@H+](C[C@@H](C)O)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000352195234 155013583 /nfs/dbraw/zinc/01/35/83/155013583.db2.gz PDCFELHVACRUQZ-YPMHNXCESA-N 1 0 298.339 1.037 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC[C@@H](CO)O2)cc1 ZINC000353714172 156034616 /nfs/dbraw/zinc/03/46/16/156034616.db2.gz WLOLDKFYQLSWCY-STQMWFEESA-N 1 0 266.297 1.224 20 5 CDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000359209984 158164513 /nfs/dbraw/zinc/16/45/13/158164513.db2.gz IOONAWVOVTWTIB-LLVKDONJSA-N 1 0 295.314 1.948 20 5 CDBDRO CC[NH+](CC)C[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000359290759 158201431 /nfs/dbraw/zinc/20/14/31/158201431.db2.gz MOOSMCWTQCAFJC-LBPRGKRZSA-N 1 0 293.367 1.984 20 5 CDBDRO O=[N+]([O-])c1ccc2oc(CN3C[C@H]4C[NH2+]C[C@@H]4C3)nc2c1 ZINC000359300737 158205737 /nfs/dbraw/zinc/20/57/37/158205737.db2.gz HDHSSNZOTCETQO-NXEZZACHSA-N 1 0 288.307 1.387 20 5 CDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000374912247 160326500 /nfs/dbraw/zinc/32/65/00/160326500.db2.gz NVTHVDTZMUJCMV-SMDDNHRTSA-N 1 0 289.335 1.761 20 5 CDBDRO [NH3+]CCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000020578418 171256598 /nfs/dbraw/zinc/25/65/98/171256598.db2.gz NVVBGTBKBKMMMD-UHFFFAOYSA-N 1 0 257.677 1.327 20 5 CDBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1(CO)CC1 ZINC000285367746 196262910 /nfs/dbraw/zinc/26/29/10/196262910.db2.gz BWYGAZLFMUNSTM-UHFFFAOYSA-N 1 0 266.297 1.430 20 5 CDBDRO C[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)N(C)C ZINC000285409723 196276559 /nfs/dbraw/zinc/27/65/59/196276559.db2.gz XRECLGFGBXEDTH-IUCAKERBSA-N 1 0 280.328 1.304 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2COCCO2)cc1[N+](=O)[O-] ZINC000038060679 174071882 /nfs/dbraw/zinc/07/18/82/174071882.db2.gz SHMTVRIEENEFSZ-WCQYABFASA-N 1 0 280.324 1.969 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000040595893 174348997 /nfs/dbraw/zinc/34/89/97/174348997.db2.gz AWVLHOTXKFWIBO-LBPRGKRZSA-N 1 0 291.351 1.975 20 5 CDBDRO COc1ccc(OC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000043472004 175053936 /nfs/dbraw/zinc/05/39/36/175053936.db2.gz QBVLUIGZVQEGTD-SNVBAGLBSA-N 1 0 266.297 1.982 20 5 CDBDRO NC(=O)c1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000044411813 175171831 /nfs/dbraw/zinc/17/18/31/175171831.db2.gz QRSJXUXWFWLSAL-JTQLQIEISA-N 1 0 290.323 1.342 20 5 CDBDRO [NH3+]C[C@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000044528250 175193093 /nfs/dbraw/zinc/19/30/93/175193093.db2.gz RMBVCQOTEMWMLU-SNVBAGLBSA-N 1 0 263.297 1.406 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000071143832 176041043 /nfs/dbraw/zinc/04/10/43/176041043.db2.gz RXCBOIMOWBJJCS-GFUIURDCSA-N 1 0 289.335 1.676 20 5 CDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1F ZINC000071396950 176150141 /nfs/dbraw/zinc/15/01/41/176150141.db2.gz HBZTZVVDGXARKE-MRVPVSSYSA-N 1 0 267.260 1.216 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[NH2+]C1 ZINC000071397224 176150701 /nfs/dbraw/zinc/15/07/01/176150701.db2.gz HRAMMGVYHWYGSH-SNVBAGLBSA-N 1 0 264.285 1.468 20 5 CDBDRO COc1ccc(C(=O)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000071397118 176150737 /nfs/dbraw/zinc/15/07/37/176150737.db2.gz PYCHXPCXIBWDQD-SNVBAGLBSA-N 1 0 279.296 1.085 20 5 CDBDRO C[NH+](C)CCCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000077530373 177278449 /nfs/dbraw/zinc/27/84/49/177278449.db2.gz CNQZSDFCUIZTNG-UHFFFAOYSA-N 1 0 295.339 1.432 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCCO[C@H](C[NH3+])C1 ZINC000313347504 260285869 /nfs/dbraw/zinc/28/58/69/260285869.db2.gz SHPOYGRGSXXXKD-CYBMUJFWSA-N 1 0 295.339 1.153 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1(C)CC[NH2+]CC1 ZINC000193367839 267299302 /nfs/dbraw/zinc/29/93/02/267299302.db2.gz TTXPDDSMZQVYEQ-UHFFFAOYSA-N 1 0 278.312 1.170 20 5 CDBDRO CSc1cccc(C(=O)NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000188753196 270272789 /nfs/dbraw/zinc/27/27/89/270272789.db2.gz KBUAXPOATKJCFU-UHFFFAOYSA-N 1 0 283.353 1.608 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC2([NH+](C)C)CC2)n1 ZINC000397896865 270352446 /nfs/dbraw/zinc/35/24/46/270352446.db2.gz RKRPJGIHPWMZNH-UHFFFAOYSA-N 1 0 294.311 1.283 20 5 CDBDRO CC1(C)CN(c2nc3sccn3c2[N+](=O)[O-])CC[NH2+]1 ZINC000212779279 273585497 /nfs/dbraw/zinc/58/54/97/273585497.db2.gz KCBNRIBZABYCKA-UHFFFAOYSA-N 1 0 281.341 1.492 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000351864403 274240776 /nfs/dbraw/zinc/24/07/76/274240776.db2.gz XONJODUHWAFYMI-ZJUUUORDSA-N 1 0 267.304 1.903 20 5 CDBDRO C[C@@H]1C[N@H+](C)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000344366038 274333585 /nfs/dbraw/zinc/33/35/85/274333585.db2.gz BXAZDJOCOLCVPV-SECBINFHSA-N 1 0 253.277 1.874 20 5 CDBDRO O=[N+]([O-])c1c(N2CC[C@H]3[NH2+]CC[C@@H]3C2)nc2sccn21 ZINC000261876296 275032709 /nfs/dbraw/zinc/03/27/09/275032709.db2.gz ZRQPLKVNHQEXSN-RKDXNWHRSA-N 1 0 293.352 1.492 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCO)CCC2 ZINC000192592831 275037966 /nfs/dbraw/zinc/03/79/66/275037966.db2.gz OWNBYOUHQNIIHB-ZDUSSCGKSA-N 1 0 250.298 1.944 20 5 CDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000330701900 276157769 /nfs/dbraw/zinc/15/77/69/276157769.db2.gz HRXNYYZLPKNAOG-SNVBAGLBSA-N 1 0 295.343 1.231 20 5 CDBDRO CCOCCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459516298 276315024 /nfs/dbraw/zinc/31/50/24/276315024.db2.gz UQSWJGVTVSHDHV-UHFFFAOYSA-N 1 0 294.355 1.538 20 5 CDBDRO CNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181830872 277235816 /nfs/dbraw/zinc/23/58/16/277235816.db2.gz YOXCXVYLFRWNKO-VIFPVBQESA-N 1 0 294.311 1.009 20 5 CDBDRO C[NH2+]CCCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015962 277266559 /nfs/dbraw/zinc/26/65/59/277266559.db2.gz BMUOOFDVWONIII-UHFFFAOYSA-N 1 0 251.286 1.211 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000070496544 277276198 /nfs/dbraw/zinc/27/61/98/277276198.db2.gz LYIDYGBFCLXKDM-NSHDSACASA-N 1 0 264.329 1.734 20 5 CDBDRO C[NH2+][C@@H]1CCCN(c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000135050959 277295230 /nfs/dbraw/zinc/29/52/30/277295230.db2.gz TWPUNODRWKTSCD-SNVBAGLBSA-N 1 0 265.313 1.792 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000262885607 278092622 /nfs/dbraw/zinc/09/26/22/278092622.db2.gz WJVXISCQAIQIBX-DTWKUNHWSA-N 1 0 281.287 1.556 20 5 CDBDRO C[C@@H](CO)[N@@H+]1CCCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000343201541 278290134 /nfs/dbraw/zinc/29/01/34/278290134.db2.gz AEROGTBCMAWNIK-NSHDSACASA-N 1 0 297.330 1.627 20 5 CDBDRO C[C@@](C[NH3+])(NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000127292654 279148228 /nfs/dbraw/zinc/14/82/28/279148228.db2.gz BYMZAXJPFJFHJQ-PPYMECGQSA-N 1 0 289.335 1.852 20 5 CDBDRO COc1ccc(C[N@H+](C[C@@H](C)O)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000248953371 280397433 /nfs/dbraw/zinc/39/74/33/280397433.db2.gz PXINUFKIZOIJMZ-GHMZBOCLSA-N 1 0 298.339 1.167 20 5 CDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000307916895 281396600 /nfs/dbraw/zinc/39/66/00/281396600.db2.gz YUCDMRMSSQOXPO-WSROAFLRSA-N 1 0 289.335 1.865 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCc2ccccc2CC1 ZINC000531101203 281680563 /nfs/dbraw/zinc/68/05/63/281680563.db2.gz VFBGOTXMKHGHLE-UHFFFAOYSA-N 1 0 286.335 1.929 20 5 CDBDRO Cc1cccc(C(=O)N2CCCO[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000313346424 289430426 /nfs/dbraw/zinc/43/04/26/289430426.db2.gz RQGQSYSTBWOOKB-NSHDSACASA-N 1 0 293.323 1.093 20 5 CDBDRO C[C@H]1C[C@H](C)C[NH+](CCn2cccc([N+](=O)[O-])c2=O)C1 ZINC000565243350 293576750 /nfs/dbraw/zinc/57/67/50/293576750.db2.gz XRALBDZSRBMTAW-RYUDHWBXSA-N 1 0 279.340 1.734 20 5 CDBDRO [NH3+]C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCO1 ZINC000274815711 303412738 /nfs/dbraw/zinc/41/27/38/303412738.db2.gz RRKQHQTVLNEZER-MRVPVSSYSA-N 1 0 299.714 1.048 20 5 CDBDRO C[C@H]1C[N@H+](C)C[C@H]1c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351139289 316239556 /nfs/dbraw/zinc/23/95/56/316239556.db2.gz ACINQCNGPASGRM-JGVFFNPUSA-N 1 0 278.268 1.903 20 5 CDBDRO O=c1c(F)cc([N+](=O)[O-])cn1CC[NH+]1CCCCC1 ZINC000575868124 317028895 /nfs/dbraw/zinc/02/88/95/317028895.db2.gz RILBYELRJNKUKD-UHFFFAOYSA-N 1 0 269.276 1.382 20 5 CDBDRO CNc1ccc(C(=O)N(C)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000576397028 317130905 /nfs/dbraw/zinc/13/09/05/317130905.db2.gz AFHSUIIYWNMHPD-SNVBAGLBSA-N 1 0 278.312 1.070 20 5 CDBDRO CC[C@H](O)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000578013439 317451807 /nfs/dbraw/zinc/45/18/07/317451807.db2.gz QDEXVZROLQIPNA-NSHDSACASA-N 1 0 295.339 1.674 20 5 CDBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385809612 323721879 /nfs/dbraw/zinc/72/18/79/323721879.db2.gz HXSIHKLDHXDBQC-PELKAZGASA-N 1 0 295.726 1.682 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000578969186 324067478 /nfs/dbraw/zinc/06/74/78/324067478.db2.gz NCTIRZLPBLFKQN-SNVBAGLBSA-N 1 0 280.328 1.250 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1N1CC[C@H]3[NH2+]CC[C@H]3C1)CCN2 ZINC000579817526 324288497 /nfs/dbraw/zinc/28/84/97/324288497.db2.gz OWRSUEUKPADNFR-CMPLNLGQSA-N 1 0 288.351 1.751 20 5 CDBDRO CC(C)[NH2+]CCCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000583631243 325211512 /nfs/dbraw/zinc/21/15/12/325211512.db2.gz OLCQQLXJVPCRQL-UHFFFAOYSA-N 1 0 280.328 1.295 20 5 CDBDRO C[C@H](O)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000583703765 325226826 /nfs/dbraw/zinc/22/68/26/325226826.db2.gz JAKLJMBYDKMISC-CABZTGNLSA-N 1 0 250.298 1.943 20 5 CDBDRO COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H](C)C[N+](C)(C)C ZINC001227124618 1160292781 /nfs/dbraw/zinc/29/27/81/1160292781.db2.gz OAMQAEOIXDNUHE-JTQLQIEISA-N 1 0 297.331 1.855 20 5 CDBDRO [NH3+][C@H]1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000147731227 482567896 /nfs/dbraw/zinc/56/78/96/482567896.db2.gz NYQDUVBUZSQKRY-MGCOHNPYSA-N 1 0 263.297 1.595 20 5 CDBDRO CC(C)(CCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000293760911 482850688 /nfs/dbraw/zinc/85/06/88/482850688.db2.gz XJPQYQOKAPTBLB-UHFFFAOYSA-N 1 0 271.342 1.904 20 5 CDBDRO CC[NH+](CC)C[C@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000044572348 535590754 /nfs/dbraw/zinc/59/07/54/535590754.db2.gz HWZHJQXOUBDOKU-VIFPVBQESA-N 1 0 255.322 1.471 20 5 CDBDRO COC(=O)CC1CC(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169000716 1161996850 /nfs/dbraw/zinc/99/68/50/1161996850.db2.gz AKRRGPPIOGLOLT-IKWCTNDRSA-N 1 0 284.356 1.611 20 5 CDBDRO C[C@@H]([N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1(C)CC1 ZINC000177223157 534285570 /nfs/dbraw/zinc/28/55/70/534285570.db2.gz HQJRFNIWKROETD-PWSUYJOCSA-N 1 0 282.344 1.273 20 5 CDBDRO CC(C)([NH3+])CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000236600052 519298663 /nfs/dbraw/zinc/29/86/63/519298663.db2.gz ONVLBODKUMCELJ-UHFFFAOYSA-N 1 0 280.328 1.250 20 5 CDBDRO CCC[NH2+]CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000236762963 519914893 /nfs/dbraw/zinc/91/48/93/519914893.db2.gz HNJCGTQBWAARJG-UHFFFAOYSA-N 1 0 299.302 1.229 20 5 CDBDRO CCOc1ccc(C(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000059400266 520907307 /nfs/dbraw/zinc/90/73/07/520907307.db2.gz SQQOILJQHBHLDD-UHFFFAOYSA-N 1 0 295.339 1.675 20 5 CDBDRO CCNC(=O)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000049201792 521743665 /nfs/dbraw/zinc/74/36/65/521743665.db2.gz RJVASADQYGXWAB-SNVBAGLBSA-N 1 0 265.313 1.517 20 5 CDBDRO [NH3+]CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000307818965 534647052 /nfs/dbraw/zinc/64/70/52/534647052.db2.gz NQLMGLMGSLPUJJ-SECBINFHSA-N 1 0 291.229 1.604 20 5 CDBDRO CC[C@H]([NH2+][C@@H]1CCC(=O)NC1)c1cccc([N+](=O)[O-])c1 ZINC000111018584 522710500 /nfs/dbraw/zinc/71/05/00/522710500.db2.gz IGWSPPRNDWICLV-YPMHNXCESA-N 1 0 277.324 1.914 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNc1c([N+](=O)[O-])c(C)nn1C ZINC000227009914 523922650 /nfs/dbraw/zinc/92/26/50/523922650.db2.gz AHBRJKHLNWOIDW-VIFPVBQESA-N 1 0 269.349 1.779 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000050709915 524471613 /nfs/dbraw/zinc/47/16/13/524471613.db2.gz PAGZVTJSGQBPSA-VIFPVBQESA-N 1 0 280.328 1.247 20 5 CDBDRO C[C@H]([NH3+])C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000157857533 524817072 /nfs/dbraw/zinc/81/70/72/524817072.db2.gz DCIIBVFBAPDWGU-VIFPVBQESA-N 1 0 263.297 1.433 20 5 CDBDRO C[C@H]([NH3+])CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000261898246 524827433 /nfs/dbraw/zinc/82/74/33/524827433.db2.gz YFLDBOCXXBYHGK-JTQLQIEISA-N 1 0 277.324 1.823 20 5 CDBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000337295332 524937920 /nfs/dbraw/zinc/93/79/20/524937920.db2.gz AIVJHYFDDISTLA-MFKMUULPSA-N 1 0 293.323 1.236 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCOCC2)cc1[N+](=O)[O-] ZINC000020091487 525726030 /nfs/dbraw/zinc/72/60/30/525726030.db2.gz RVXPWNGXJVJGMQ-CYBMUJFWSA-N 1 0 293.367 1.886 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000221540397 526068842 /nfs/dbraw/zinc/06/88/42/526068842.db2.gz WXJIZFULWSWUFO-SMDDNHRTSA-N 1 0 289.335 1.727 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]1 ZINC000053253681 527294229 /nfs/dbraw/zinc/29/42/29/527294229.db2.gz JORDIJMGGCASJW-LLVKDONJSA-N 1 0 263.297 1.006 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCOCC2)c1 ZINC000366661070 527393822 /nfs/dbraw/zinc/39/38/22/527393822.db2.gz XTZWYYNACUXGER-CYBMUJFWSA-N 1 0 266.297 1.351 20 5 CDBDRO [NH3+][C@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000050228564 527410198 /nfs/dbraw/zinc/41/01/98/527410198.db2.gz UXGIPZRFHONGQJ-QRGHLMKCSA-N 1 0 261.281 1.168 20 5 CDBDRO CCC[C@@](C)([NH3+])C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000262327293 535527829 /nfs/dbraw/zinc/52/78/29/535527829.db2.gz UKVDRFDLUXLUAK-CQSZACIVSA-N 1 0 294.355 1.640 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000261795819 536339310 /nfs/dbraw/zinc/33/93/10/536339310.db2.gz RFYHUXWTJIZOPD-QMMMGPOBSA-N 1 0 285.731 1.515 20 5 CDBDRO C[NH2+][C@H](C)CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000261868673 536401198 /nfs/dbraw/zinc/40/11/98/536401198.db2.gz ZKPOBBHYROENDF-SSDOTTSWSA-N 1 0 271.704 1.586 20 5 CDBDRO COc1cc(C(=O)N[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1C ZINC000422749349 536521413 /nfs/dbraw/zinc/52/14/13/536521413.db2.gz YSSLOAZWUFUXBZ-JTQLQIEISA-N 1 0 279.296 1.004 20 5 CDBDRO COc1ccc(CNC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000414789838 536892846 /nfs/dbraw/zinc/89/28/46/536892846.db2.gz FWJYYKRWYBGDHL-LLVKDONJSA-N 1 0 267.329 1.676 20 5 CDBDRO CCn1cc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000732569793 575091741 /nfs/dbraw/zinc/09/17/41/575091741.db2.gz OBOSYBSEOHUNHT-AWEZNQCLSA-N 1 0 290.323 1.634 20 5 CDBDRO C[NH+](C)C[C@@H]1CCCN(c2cccnc2[N+](=O)[O-])C1 ZINC000732803934 575097002 /nfs/dbraw/zinc/09/70/02/575097002.db2.gz QPPOOUSPEQJSRH-NSHDSACASA-N 1 0 264.329 1.768 20 5 CDBDRO C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000766184444 576084193 /nfs/dbraw/zinc/08/41/93/576084193.db2.gz PIPQNKCOZMHWRC-IINYFYTJSA-N 1 0 290.323 1.713 20 5 CDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000744351900 576677389 /nfs/dbraw/zinc/67/73/89/576677389.db2.gz YPTLGWQVSOYYQU-SNVBAGLBSA-N 1 0 280.328 1.147 20 5 CDBDRO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC[NH+]1CCCC1 ZINC000747079925 576857909 /nfs/dbraw/zinc/85/79/09/576857909.db2.gz GOCAUZPSJDNGSW-UHFFFAOYSA-N 1 0 289.291 1.287 20 5 CDBDRO CC[N@@H+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])C[C@@H]1C ZINC000754078894 576878079 /nfs/dbraw/zinc/87/80/79/576878079.db2.gz BUEKINFIJDKKNF-NSHDSACASA-N 1 0 289.339 1.773 20 5 CDBDRO CCOc1cc(C[NH2+][C@H](CO)C2CC2)ccc1[N+](=O)[O-] ZINC000755053503 576928314 /nfs/dbraw/zinc/92/83/14/576928314.db2.gz AVONEAIGUSQFFR-GFCCVEGCSA-N 1 0 280.324 1.854 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCn2cccn2)c1 ZINC000749695448 576958376 /nfs/dbraw/zinc/95/83/76/576958376.db2.gz ZZQSMZDPKVNRGP-CYBMUJFWSA-N 1 0 276.296 1.115 20 5 CDBDRO CC1(C)C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000843352234 617327004 /nfs/dbraw/zinc/32/70/04/617327004.db2.gz UWQWTZCKVWLFLL-UHFFFAOYSA-N 1 0 278.312 1.001 20 5 CDBDRO Cc1ccc(CNC(=O)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000892016920 617411366 /nfs/dbraw/zinc/41/13/66/617411366.db2.gz NUHSVDWZPYDXEN-LBPRGKRZSA-N 1 0 292.339 1.454 20 5 CDBDRO CCC[NH+]1CCC(Nc2c([N+](=O)[O-])cnn2C)CC1 ZINC000891583449 617489764 /nfs/dbraw/zinc/48/97/64/617489764.db2.gz ZNKHGICOSBBXBW-UHFFFAOYSA-N 1 0 267.333 1.615 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N1CCC[C@H]([NH+](C)C)C1 ZINC000892288782 617701102 /nfs/dbraw/zinc/70/11/02/617701102.db2.gz UPXJVYHJGYXTCY-JTQLQIEISA-N 1 0 280.328 1.529 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000892821725 617782818 /nfs/dbraw/zinc/78/28/18/617782818.db2.gz FCGJGFXBARMBBV-UWVGGRQHSA-N 1 0 267.333 1.613 20 5 CDBDRO CN(CCC[NH+]1CCCC1)c1c([N+](=O)[O-])cnn1C ZINC000893668191 617820847 /nfs/dbraw/zinc/82/08/47/617820847.db2.gz IOJMUKVPTZTONF-UHFFFAOYSA-N 1 0 267.333 1.250 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000893515188 618018130 /nfs/dbraw/zinc/01/81/30/618018130.db2.gz INEFQWJBGFJMAB-LLVKDONJSA-N 1 0 279.344 1.757 20 5 CDBDRO CN(c1c([N+](=O)[O-])cnn1C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893833961 618067485 /nfs/dbraw/zinc/06/74/85/618067485.db2.gz SFUJEDCDACBZEM-ZACCUICWSA-N 1 0 279.344 1.390 20 5 CDBDRO C[N@H+]1C[C@H]2CN(c3ccc4nonc4c3[N+](=O)[O-])C[C@H]2C1 ZINC000893547890 618094953 /nfs/dbraw/zinc/09/49/53/618094953.db2.gz BTIJIHYHPHQXAB-DTORHVGOSA-N 1 0 289.295 1.129 20 5 CDBDRO CC[C@H](C)[NH+]1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000894100827 618408526 /nfs/dbraw/zinc/40/85/26/618408526.db2.gz BPATXQUOOFCEEX-JTQLQIEISA-N 1 0 267.333 1.249 20 5 CDBDRO C[C@@H](NC(=O)C1([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000928245345 618598458 /nfs/dbraw/zinc/59/84/58/618598458.db2.gz NTHNCWLUGNKULP-SNVBAGLBSA-N 1 0 277.324 1.866 20 5 CDBDRO C[NH2+]CCCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841103115 618682960 /nfs/dbraw/zinc/68/29/60/618682960.db2.gz LTRJNDLRYUINDJ-UHFFFAOYSA-N 1 0 286.719 1.979 20 5 CDBDRO COC(=O)N1CC(C)([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000894542132 618952216 /nfs/dbraw/zinc/95/22/16/618952216.db2.gz GDYJNUBKSHDDGF-UHFFFAOYSA-N 1 0 279.296 1.525 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NOCC[NH+](C)C)c1C ZINC000897876452 621182157 /nfs/dbraw/zinc/18/21/57/621182157.db2.gz LYUMEJULCIXKFT-UHFFFAOYSA-N 1 0 281.312 1.435 20 5 CDBDRO COc1ccccc1[C@H](C[NH2+]CC[N+](=O)[O-])N1CCCC1 ZINC000899860853 622487718 /nfs/dbraw/zinc/48/77/18/622487718.db2.gz VRPVFGMJJPZUEY-AWEZNQCLSA-N 1 0 293.367 1.698 20 5 CDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCON ZINC000902417246 624778388 /nfs/dbraw/zinc/77/83/88/624778388.db2.gz HSFWPXRWVQFLGM-LLVKDONJSA-N 1 0 267.329 1.786 20 5 CDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H]3CCC[NH2+]3)C2)nc1 ZINC000903445698 625999007 /nfs/dbraw/zinc/99/90/07/625999007.db2.gz NEXPOPULAIDKEE-VXGBXAGGSA-N 1 0 291.355 1.228 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000905244447 626700692 /nfs/dbraw/zinc/70/06/92/626700692.db2.gz YARYSYTVGUPHBP-ZDUSSCGKSA-N 1 0 263.341 1.769 20 5 CDBDRO C[C@@H]1[C@H]([NH2+]CC[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000905259932 626709802 /nfs/dbraw/zinc/70/98/02/626709802.db2.gz IRRDQSVXBHWBSE-TZMCWYRMSA-N 1 0 263.341 1.516 20 5 CDBDRO CCC[C@@H]([NH2+]CC[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000905360378 626769947 /nfs/dbraw/zinc/76/99/47/626769947.db2.gz MZWMNPDKYJHBMM-CHWSQXEVSA-N 1 0 252.314 1.755 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@]1(CO)C[C@H]1c1ccccc1 ZINC000905376360 626791794 /nfs/dbraw/zinc/79/17/94/626791794.db2.gz TXFGDWOYNJIXAN-STQMWFEESA-N 1 0 250.298 1.019 20 5 CDBDRO C[C@@H](NC(=S)NCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000905639979 626910794 /nfs/dbraw/zinc/91/07/94/626910794.db2.gz FJXVJUKXWKNVMU-SNVBAGLBSA-N 1 0 296.396 1.682 20 5 CDBDRO COc1ccc(CNC2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000906509572 627297440 /nfs/dbraw/zinc/29/74/40/627297440.db2.gz JWMGUOSUCBLQIG-UHFFFAOYSA-N 1 0 251.286 1.183 20 5 CDBDRO O=[N+]([O-])c1cnn(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000153458579 631639544 /nfs/dbraw/zinc/63/95/44/631639544.db2.gz IDMCRSLELKJHKL-CYBMUJFWSA-N 1 0 293.371 1.699 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000919380473 632577965 /nfs/dbraw/zinc/57/79/65/632577965.db2.gz UPIUIPZFHREIMG-NSHDSACASA-N 1 0 296.327 1.209 20 5 CDBDRO CN1Cc2cc(NCC3C[NH+](C)C3)cc([N+](=O)[O-])c2N1 ZINC001170258213 1162319789 /nfs/dbraw/zinc/31/97/89/1162319789.db2.gz GWNARTMUJBZJNW-UHFFFAOYSA-N 1 0 277.328 1.341 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC001170294798 1162327774 /nfs/dbraw/zinc/32/77/74/1162327774.db2.gz RUVRYULYDNLGPF-VHSXEESVSA-N 1 0 268.313 1.505 20 5 CDBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC001170294824 1162328128 /nfs/dbraw/zinc/32/81/28/1162328128.db2.gz CYTTYWJRULCXAJ-AAEUAGOBSA-N 1 0 293.367 1.828 20 5 CDBDRO C[C@H]1[C@H]([NH3+])CCCN1c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001157742106 1162376942 /nfs/dbraw/zinc/37/69/42/1162376942.db2.gz CPTKHJSCWBNEMU-WCBMZHEXSA-N 1 0 275.312 1.787 20 5 CDBDRO COc1cc(C)nc(N2CC[C@](F)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001157812892 1162444022 /nfs/dbraw/zinc/44/40/22/1162444022.db2.gz KVIDRGUQEVLVGS-LBPRGKRZSA-N 1 0 284.291 1.184 20 5 CDBDRO CC(C)N(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC001158026397 1162687202 /nfs/dbraw/zinc/68/72/02/1162687202.db2.gz WMJZDERGEJUXFG-SECBINFHSA-N 1 0 295.299 1.475 20 5 CDBDRO COc1ccnc(-n2ccc3cc(C[NH3+])cnc32)c1[N+](=O)[O-] ZINC001167305173 1158576518 /nfs/dbraw/zinc/57/65/18/1158576518.db2.gz QWICKRLOJVYFMB-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO [NH3+][C@@H]1CCc2nn(-c3cnc(F)c([N+](=O)[O-])c3)cc2C1 ZINC001168821940 1161988547 /nfs/dbraw/zinc/98/85/47/1161988547.db2.gz UFSQLXOAEFIIEZ-MRVPVSSYSA-N 1 0 277.259 1.131 20 5 CDBDRO NC[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001246506410 1164245260 /nfs/dbraw/zinc/24/52/60/1164245260.db2.gz HCEYNTKAZLBHMB-IACUBPJLSA-N 1 0 263.341 1.721 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1COCCC12C[NH2+]C2 ZINC001155461022 1167178797 /nfs/dbraw/zinc/17/87/97/1167178797.db2.gz GTXOKGJJWNKKBG-SNVBAGLBSA-N 1 0 298.730 1.434 20 5 CDBDRO CC[C@H]([NH3+])CNc1c2cc(OC)ccc2ncc1[N+](=O)[O-] ZINC001577124743 1171604114 /nfs/dbraw/zinc/60/41/14/1171604114.db2.gz OHEKMAZKBBJNNB-VIFPVBQESA-N 1 0 290.323 1.723 20 5 CDBDRO Cc1ccnc(NC[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000070496558 1171666647 /nfs/dbraw/zinc/66/66/47/1171666647.db2.gz CPOXKFJVTNIZEX-SNVBAGLBSA-N 1 0 250.302 1.710 20 5 CDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1C[C@H]1CCC[NH2+]C1 ZINC000074402375 1172041495 /nfs/dbraw/zinc/04/14/95/1172041495.db2.gz GQCCKILIIWQFAC-VIFPVBQESA-N 1 0 277.280 1.502 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC001579734010 1172251282 /nfs/dbraw/zinc/25/12/82/1172251282.db2.gz JPMOGFSNGSMSSX-ZJUUUORDSA-N 1 0 278.312 1.857 20 5 CDBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH2+][C@@H]2C[C@@H]21 ZINC001580811877 1172546199 /nfs/dbraw/zinc/54/61/99/1172546199.db2.gz XYNPTPYKDHSTJX-MNOVXSKESA-N 1 0 281.699 1.435 20 5 CDBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001580812964 1172548451 /nfs/dbraw/zinc/54/84/51/1172548451.db2.gz HZYYZCJACDWOOE-UWVGGRQHSA-N 1 0 286.291 1.262 20 5 CDBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC2(CC1)C[NH2+]CCO2 ZINC001580874549 1172556764 /nfs/dbraw/zinc/55/67/64/1172556764.db2.gz ALUWAHSWPROXRH-UHFFFAOYSA-N 1 0 295.314 1.693 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)ccc1CNC[C@H]1CC[NH2+]1 ZINC001580874872 1172557420 /nfs/dbraw/zinc/55/74/20/1172557420.db2.gz NAIJZQBSYYGPCR-SNVBAGLBSA-N 1 0 255.705 1.700 20 5 CDBDRO Cc1cc(F)cc(C(=O)NCCCC[NH3+])c1[N+](=O)[O-] ZINC000237622166 1178731869 /nfs/dbraw/zinc/73/18/69/1178731869.db2.gz XWIPIZZWQOYVCV-UHFFFAOYSA-N 1 0 269.276 1.511 20 5 CDBDRO CC[C@H](NC(=O)[C@@H]([NH3+])COC)c1cccc([N+](=O)[O-])c1 ZINC000262329311 1182213869 /nfs/dbraw/zinc/21/38/69/1182213869.db2.gz RKRGQTSDDAESLW-RYUDHWBXSA-N 1 0 281.312 1.136 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(O)CC2)cc1 ZINC000776579990 710825736 /nfs/dbraw/zinc/82/57/36/710825736.db2.gz UFLFVORGSDJATD-ZDUSSCGKSA-N 1 0 266.297 1.085 20 5 CDBDRO CC[C@@]1(O)CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000778402390 705332681 /nfs/dbraw/zinc/33/26/81/705332681.db2.gz QMFDNVSIYDQKTN-UONOGXRCSA-N 1 0 280.324 1.475 20 5 CDBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001019914957 705365620 /nfs/dbraw/zinc/36/56/20/705365620.db2.gz BHJLRSHXHQBTEV-JOCQHMNTSA-N 1 0 289.335 1.742 20 5 CDBDRO C[C@@H](CCNc1ccnc(F)c1[N+](=O)[O-])[NH+](C)C ZINC000882599280 705377148 /nfs/dbraw/zinc/37/71/48/705377148.db2.gz UHRKGWAMFBYQIA-QMMMGPOBSA-N 1 0 256.281 1.881 20 5 CDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000832496324 705385732 /nfs/dbraw/zinc/38/57/32/705385732.db2.gz QEJZIOZRNKJICC-CHWSQXEVSA-N 1 0 295.314 1.946 20 5 CDBDRO COc1cc(NCC[N@H+](C)CCO)c([N+](=O)[O-])cc1F ZINC000884824740 705422374 /nfs/dbraw/zinc/42/23/74/705422374.db2.gz LHTGHHYMBOWDIB-UHFFFAOYSA-N 1 0 287.291 1.079 20 5 CDBDRO COC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000852769622 705563327 /nfs/dbraw/zinc/56/33/27/705563327.db2.gz YMWSBJZIEROQCN-UHFFFAOYSA-N 1 0 293.323 1.915 20 5 CDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cn1nccc1[N+](=O)[O-] ZINC000795700779 705574005 /nfs/dbraw/zinc/57/40/05/705574005.db2.gz LKJQXWRSSMJOCJ-NWDGAFQWSA-N 1 0 279.344 1.307 20 5 CDBDRO CC[N@@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H](C)C1 ZINC000831838480 705574154 /nfs/dbraw/zinc/57/41/54/705574154.db2.gz LDLCQRWEPAKESA-LLVKDONJSA-N 1 0 271.361 1.375 20 5 CDBDRO O=[N+]([O-])c1ccccc1Cc1noc([C@@H]2C[C@H]3C[C@H]3[NH2+]2)n1 ZINC000822647996 705577821 /nfs/dbraw/zinc/57/78/21/705577821.db2.gz XBYWUUIROITCGR-MXWKQRLJSA-N 1 0 286.291 1.992 20 5 CDBDRO CSCCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134756974 705584008 /nfs/dbraw/zinc/58/40/08/705584008.db2.gz VSFQFXNJWORPNG-GFCCVEGCSA-N 1 0 270.354 1.971 20 5 CDBDRO CSCC[C@@H]([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000130907376 705597013 /nfs/dbraw/zinc/59/70/13/705597013.db2.gz OMFNNVRCLUGFLK-SECBINFHSA-N 1 0 283.353 1.922 20 5 CDBDRO C[C@@H]([NH3+])CN(C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000863566168 705637227 /nfs/dbraw/zinc/63/72/27/705637227.db2.gz CZOZPQCGUFBPKZ-ZJUUUORDSA-N 1 0 280.328 1.201 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000041028419 705663568 /nfs/dbraw/zinc/66/35/68/705663568.db2.gz NNIFSODWIWRUJH-JTQLQIEISA-N 1 0 263.297 1.467 20 5 CDBDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000821328483 705726519 /nfs/dbraw/zinc/72/65/19/705726519.db2.gz KGWWWLJPUIXOLU-OKILXGFUSA-N 1 0 289.335 1.505 20 5 CDBDRO C[C@H]([NH3+])CN(C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000714054091 705772046 /nfs/dbraw/zinc/77/20/46/705772046.db2.gz LIFZQQFBEMTLER-ZETCQYMHSA-N 1 0 255.249 1.153 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[NH2+]C1CC1)CC2 ZINC000818609565 705895708 /nfs/dbraw/zinc/89/57/08/705895708.db2.gz VDRJLFSQOAFCKN-UHFFFAOYSA-N 1 0 275.308 1.544 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2(CO)CCC2)cc1 ZINC000717632717 705935604 /nfs/dbraw/zinc/93/56/04/705935604.db2.gz QFZUPVNBQXVXDC-ZDUSSCGKSA-N 1 0 280.324 1.380 20 5 CDBDRO CC[C@H](CO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000844256836 706001039 /nfs/dbraw/zinc/00/10/39/706001039.db2.gz IJFDSODANGSAAN-LLVKDONJSA-N 1 0 295.339 1.592 20 5 CDBDRO CC[NH2+]CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000818514809 706068607 /nfs/dbraw/zinc/06/86/07/706068607.db2.gz ZGOPDTWLGIPQEN-UHFFFAOYSA-N 1 0 279.340 1.941 20 5 CDBDRO C[NH2+]C[C@H](C)c1noc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000721131506 706138684 /nfs/dbraw/zinc/13/86/84/706138684.db2.gz RNTCOZJCFGVCIY-QMMMGPOBSA-N 1 0 262.269 1.968 20 5 CDBDRO Cc1nn(C[N@@H+]2CC[C@H]3C[C@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC000853576254 706211374 /nfs/dbraw/zinc/21/13/74/706211374.db2.gz OJAPRXREZRCYEQ-QWRGUYRKSA-N 1 0 287.323 1.947 20 5 CDBDRO [NH3+]C[C@H]1CCCCN1Cc1cccnc1[N+](=O)[O-] ZINC000886827966 706243264 /nfs/dbraw/zinc/24/32/64/706243264.db2.gz UXMJIMFDNJLJTI-LLVKDONJSA-N 1 0 250.302 1.303 20 5 CDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000931039339 709752559 /nfs/dbraw/zinc/75/25/59/709752559.db2.gz QZRQXFIRCKXBHF-CMPLNLGQSA-N 1 0 264.329 1.514 20 5 CDBDRO C[C@@H](CCO)[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000844448216 709787214 /nfs/dbraw/zinc/78/72/14/709787214.db2.gz WEGZEXZHBOWRPV-VIFPVBQESA-N 1 0 256.277 1.937 20 5 CDBDRO CO[C@@H]1CC[C@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000851992075 709806045 /nfs/dbraw/zinc/80/60/45/709806045.db2.gz BIVLWMIFHJXIGZ-QWHCGFSZSA-N 1 0 294.355 1.996 20 5 CDBDRO C[C@]1(CNc2ncc([N+](=O)[O-])cn2)CCC[NH2+]C1 ZINC000129338333 709820588 /nfs/dbraw/zinc/82/05/88/709820588.db2.gz VYUGZEHBPYZXSZ-NSHDSACASA-N 1 0 251.290 1.186 20 5 CDBDRO COC(=O)C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000877424212 709855025 /nfs/dbraw/zinc/85/50/25/709855025.db2.gz HACSCRXVDJKKTA-UHFFFAOYSA-N 1 0 278.308 1.946 20 5 CDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)C[NH+](C)C ZINC000843895961 709865870 /nfs/dbraw/zinc/86/58/70/709865870.db2.gz YGQLKMYPOQUWSM-SECBINFHSA-N 1 0 297.330 1.970 20 5 CDBDRO CC[C@@]1(O)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778397732 709955634 /nfs/dbraw/zinc/95/56/34/709955634.db2.gz DDOGDADOQBFEHF-UONOGXRCSA-N 1 0 280.324 1.475 20 5 CDBDRO CCOc1ccc(C(=O)N(C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000877098540 709985204 /nfs/dbraw/zinc/98/52/04/709985204.db2.gz VTCZGMLWRCKTOT-VIFPVBQESA-N 1 0 281.312 1.413 20 5 CDBDRO CC[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)OC ZINC000312018823 710020176 /nfs/dbraw/zinc/02/01/76/710020176.db2.gz YEQVJKBMGQGDLP-STQMWFEESA-N 1 0 268.313 1.643 20 5 CDBDRO CC[C@]1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000792441533 710028198 /nfs/dbraw/zinc/02/81/98/710028198.db2.gz MSGZSWJJTIGUDG-KGLIPLIRSA-N 1 0 280.324 1.787 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CC(=O)N(C)C1 ZINC000873036614 710233182 /nfs/dbraw/zinc/23/31/82/710233182.db2.gz VEAVPBFIZSMAHC-NSHDSACASA-N 1 0 277.324 1.532 20 5 CDBDRO CC(C)(CCC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[N+](=O)[O-] ZINC000847257751 710299181 /nfs/dbraw/zinc/29/91/81/710299181.db2.gz ZBICPNLGXSOHMV-OLZOCXBDSA-N 1 0 297.399 1.955 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CC[C@H](O)C2)cc1 ZINC000300698778 710307101 /nfs/dbraw/zinc/30/71/01/710307101.db2.gz NQDGBXHDFTWEQM-LEWSCRJBSA-N 1 0 280.324 1.379 20 5 CDBDRO C[N@H+](C[C@H]1CCOC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000176103552 710307158 /nfs/dbraw/zinc/30/71/58/710307158.db2.gz YKTHJKIYHQQVJN-LLVKDONJSA-N 1 0 290.323 1.870 20 5 CDBDRO CC(=O)N1CC[C@@H]([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873140952 710325791 /nfs/dbraw/zinc/32/57/91/710325791.db2.gz WWPZFYSRTYLDAH-CYBMUJFWSA-N 1 0 291.351 1.922 20 5 CDBDRO O=[N+]([O-])c1ncccc1C[NH+]1CCC2(CC1)OCCCO2 ZINC000886218159 710386176 /nfs/dbraw/zinc/38/61/76/710386176.db2.gz OYGDCVFITYPKRT-UHFFFAOYSA-N 1 0 293.323 1.719 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870972383 710402149 /nfs/dbraw/zinc/40/21/49/710402149.db2.gz ZRGSOKJJSNKNSU-XYPYZODXSA-N 1 0 277.324 1.679 20 5 CDBDRO Cc1c(C[NH2+]CC2(CC(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000873132146 710522373 /nfs/dbraw/zinc/52/23/73/710522373.db2.gz JGSBLSXKDBJNIT-UHFFFAOYSA-N 1 0 277.324 1.648 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000840151509 710544753 /nfs/dbraw/zinc/54/47/53/710544753.db2.gz GTNGVTCQTBJVEA-LLVKDONJSA-N 1 0 267.333 1.163 20 5 CDBDRO C[C@@H]([NH2+]CCN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037176972 710748936 /nfs/dbraw/zinc/74/89/36/710748936.db2.gz GXWJHVFXNNENQG-GFCCVEGCSA-N 1 0 279.340 1.578 20 5 CDBDRO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](CC[N+](=O)[O-])[C@@H]1C ZINC000934166731 710770721 /nfs/dbraw/zinc/77/07/21/710770721.db2.gz XKSRKBHFJOOLOE-WRWGMCAJSA-N 1 0 272.345 1.561 20 5 CDBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590456 710794363 /nfs/dbraw/zinc/79/43/63/710794363.db2.gz GMPYEERBSMKGLP-NILFDRSVSA-N 1 0 294.351 1.864 20 5 CDBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H](O)c1ccccn1 ZINC000853101324 710803923 /nfs/dbraw/zinc/80/39/23/710803923.db2.gz YPAIEVYYQIDMHV-OAHLLOKOSA-N 1 0 287.319 1.856 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000092673165 710833839 /nfs/dbraw/zinc/83/38/39/710833839.db2.gz YJDQPKYDVWQABE-NSHDSACASA-N 1 0 292.339 1.343 20 5 CDBDRO C[C@@H]1C[C@H](CO)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000817278163 710834925 /nfs/dbraw/zinc/83/49/25/710834925.db2.gz TVDWPPAZNQMKDG-TYNCELHUSA-N 1 0 294.351 1.579 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886827060 710844427 /nfs/dbraw/zinc/84/44/27/710844427.db2.gz CFJIAWRPGNIDPA-NSHDSACASA-N 1 0 264.329 1.421 20 5 CDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818016372 710858284 /nfs/dbraw/zinc/85/82/84/710858284.db2.gz UKXSAYRHTMJRGR-AWEZNQCLSA-N 1 0 293.298 1.702 20 5 CDBDRO CNC(=O)C(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000230395167 711537529 /nfs/dbraw/zinc/53/75/29/711537529.db2.gz RQYNJLINLCIFOW-UHFFFAOYSA-N 1 0 279.340 1.765 20 5 CDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000852806164 711556688 /nfs/dbraw/zinc/55/66/88/711556688.db2.gz FGNBCHWDKANWBG-CZMCAQCFSA-N 1 0 297.742 1.944 20 5 CDBDRO O=C(OCCN1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000861384361 711569946 /nfs/dbraw/zinc/56/99/46/711569946.db2.gz OQGQIADGRJUGKG-UHFFFAOYSA-N 1 0 250.254 1.457 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H]2CCO)cc1 ZINC000778273301 711582804 /nfs/dbraw/zinc/58/28/04/711582804.db2.gz YMFYHYUZWIBWQR-GXTWGEPZSA-N 1 0 280.324 1.475 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCn1cncn1 ZINC000873010715 711601722 /nfs/dbraw/zinc/60/17/22/711601722.db2.gz LXLMIEZFFMLPQX-UHFFFAOYSA-N 1 0 289.339 1.983 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2CCC[NH2+]CC2)c1[N+](=O)[O-] ZINC000237657218 711625181 /nfs/dbraw/zinc/62/51/81/711625181.db2.gz ZDFSSWVNZSNISY-UHFFFAOYSA-N 1 0 281.287 1.478 20 5 CDBDRO Cc1c(C(=O)N[C@H](C)[C@@H](C)[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000834821405 711658696 /nfs/dbraw/zinc/65/86/96/711658696.db2.gz PNGLRMIXPLRYCA-HTQZYQBOSA-N 1 0 296.283 1.277 20 5 CDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000837006040 711661217 /nfs/dbraw/zinc/66/12/17/711661217.db2.gz YSCYFWKMYKZELU-GFCCVEGCSA-N 1 0 285.388 1.765 20 5 CDBDRO CCNC(=O)C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000313057045 711675963 /nfs/dbraw/zinc/67/59/63/711675963.db2.gz FQXCYXLWOHLIEF-UHFFFAOYSA-N 1 0 283.303 1.738 20 5 CDBDRO C[C@@]1(C[NH3+])CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000261870558 711685731 /nfs/dbraw/zinc/68/57/31/711685731.db2.gz YZVBKSHRUKFDIQ-AWEZNQCLSA-N 1 0 277.324 1.335 20 5 CDBDRO C[NH+]1CCC(ONC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000854356944 711729001 /nfs/dbraw/zinc/72/90/01/711729001.db2.gz LAMCTGCPVLPGKF-UHFFFAOYSA-N 1 0 297.286 1.490 20 5 CDBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839551360 711730546 /nfs/dbraw/zinc/73/05/46/711730546.db2.gz BHFOMSIUZUONRJ-CHWSQXEVSA-N 1 0 283.372 1.375 20 5 CDBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC[N+](=O)[O-])C1(C)C ZINC000930670358 711781414 /nfs/dbraw/zinc/78/14/14/711781414.db2.gz ZHSBNSZNCBQSLP-SNVBAGLBSA-N 1 0 287.360 1.641 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCn2ccnc2)cc1 ZINC000776271406 711787251 /nfs/dbraw/zinc/78/72/51/711787251.db2.gz AQHZWJSMTVARCD-CQSZACIVSA-N 1 0 290.323 1.505 20 5 CDBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000785742878 711813660 /nfs/dbraw/zinc/81/36/60/711813660.db2.gz PMYMSYQICIXQPY-QWRGUYRKSA-N 1 0 296.327 1.207 20 5 CDBDRO CC[C@@]1(O)CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000879313122 711817076 /nfs/dbraw/zinc/81/70/76/711817076.db2.gz FYOZWAFCCGQQBD-LSDHHAIUSA-N 1 0 294.351 1.865 20 5 CDBDRO C[C@@H]1COCCN1CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000800848877 711818823 /nfs/dbraw/zinc/81/88/23/711818823.db2.gz JLRUBPMFGACSEC-SNVBAGLBSA-N 1 0 280.328 1.310 20 5 CDBDRO Cc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1[N+](=O)[O-] ZINC000931278273 711835807 /nfs/dbraw/zinc/83/58/07/711835807.db2.gz UZVHYVCVVHRJMQ-NHAGDIPZSA-N 1 0 275.352 1.895 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCSC2)c1 ZINC000819274244 711836699 /nfs/dbraw/zinc/83/66/99/711836699.db2.gz XJPXOWWUEKWEPH-GXFFZTMASA-N 1 0 282.365 1.971 20 5 CDBDRO C[N@@H+]1CCO[C@H]2CN(c3cc([N+](=O)[O-])cc(Cl)n3)C[C@H]21 ZINC001164669458 719371052 /nfs/dbraw/zinc/37/10/52/719371052.db2.gz QCJWQTNJIMEYQX-ZJUUUORDSA-N 1 0 298.730 1.162 20 5 CDBDRO COc1cnc(N(C)CC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001165041201 721933369 /nfs/dbraw/zinc/93/33/69/721933369.db2.gz KDXIQEKISIJZPS-UHFFFAOYSA-N 1 0 294.355 1.776 20 5 CDBDRO C[C@H](O)[C@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930635843 1166765402 /nfs/dbraw/zinc/76/54/02/1166765402.db2.gz AKILRWAUEKROHG-NJZAAPMLSA-N 1 0 294.351 1.516 20 5 CDBDRO CCN(C(=O)c1cccc([N+](=O)[O-])c1C)[C@H]1CC[NH2+]C1 ZINC000058233934 1167219347 /nfs/dbraw/zinc/21/93/47/1167219347.db2.gz ZWKHJQJBOQANEV-NSHDSACASA-N 1 0 277.324 1.727 20 5 CDBDRO COC(C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)OC ZINC001173215989 912297672 /nfs/dbraw/zinc/29/76/72/912297672.db2.gz GVPZMHOKFCDHIE-JTQLQIEISA-N 1 0 268.313 1.734 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CN(C)C1 ZINC001173218780 912300898 /nfs/dbraw/zinc/30/08/98/912300898.db2.gz MDALREADQCWDHO-NSHDSACASA-N 1 0 263.341 1.677 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC001173217034 912303207 /nfs/dbraw/zinc/30/32/07/912303207.db2.gz KNDFBFLVMTWKDU-WCQYABFASA-N 1 0 291.351 1.594 20 5 CDBDRO Cc1nc(CC[NH3+])nn1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173234798 912330989 /nfs/dbraw/zinc/33/09/89/912330989.db2.gz QDEIVOIOVGLBRH-SNVBAGLBSA-N 1 0 289.339 1.800 20 5 CDBDRO O=C(C=C1CCC1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001125561856 896561120 /nfs/dbraw/zinc/56/11/20/896561120.db2.gz SLODAFXIOCXQDR-UHFFFAOYSA-N 1 0 295.364 1.972 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1-n1ccc(C[NH3+])cc1=N ZINC001167689407 898180672 /nfs/dbraw/zinc/18/06/72/898180672.db2.gz GHXIOYXDPXABRZ-UHFFFAOYSA-N 1 0 258.281 1.632 20 5 CDBDRO CC(=O)c1ccc(O[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218279004 898586548 /nfs/dbraw/zinc/58/65/48/898586548.db2.gz MCBGIXSVIBJKOX-LLVKDONJSA-N 1 0 264.281 1.928 20 5 CDBDRO N=C(Nc1cc([N+](=O)[O-])c2nccn2c1)SCC[NH3+] ZINC001167915694 902247973 /nfs/dbraw/zinc/24/79/73/902247973.db2.gz WXHLXXIXHINSPL-UHFFFAOYSA-N 1 0 280.313 1.281 20 5 CDBDRO CCNC(=O)c1ccccc1O[C@@H](C)C[N+](C)(C)C ZINC001225482890 902789473 /nfs/dbraw/zinc/78/94/73/902789473.db2.gz CVTPQJFNFUXJBF-LBPRGKRZSA-O 1 0 265.377 1.910 20 5 CDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(c1)C(=O)NCC2 ZINC001227958747 906808563 /nfs/dbraw/zinc/80/85/63/906808563.db2.gz QJSFJJMMVKVUCQ-LLVKDONJSA-O 1 0 263.361 1.446 20 5 CDBDRO CN(c1ncnc2ccc([N+](=O)[O-])cc21)C(C)(C)C[NH3+] ZINC000714241861 906812629 /nfs/dbraw/zinc/81/26/29/906812629.db2.gz HLIRWEDKPACPLC-UHFFFAOYSA-N 1 0 275.312 1.712 20 5 CDBDRO CC1(Nc2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001168182463 907708873 /nfs/dbraw/zinc/70/88/73/907708873.db2.gz QUIUCYXZNSEDME-UHFFFAOYSA-N 1 0 286.719 1.436 20 5 CDBDRO C[C@H]([C@H](C)O)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001307415681 909332856 /nfs/dbraw/zinc/33/28/56/909332856.db2.gz QXOAVDXYKUINJC-NEPJUHHUSA-N 1 0 279.340 1.486 20 5 CDBDRO Cc1cc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)s1 ZINC001126948807 910046907 /nfs/dbraw/zinc/04/69/07/910046907.db2.gz IRHFYWMSWNKKMX-VXGBXAGGSA-N 1 0 297.380 1.236 20 5 CDBDRO [NH3+]CCCCCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000698084843 911011403 /nfs/dbraw/zinc/01/14/03/911011403.db2.gz GIHSGQDMYPJVTH-UHFFFAOYSA-N 1 0 255.274 1.437 20 5 CDBDRO [NH3+]Cc1nnnn1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901353 912037303 /nfs/dbraw/zinc/03/73/03/912037303.db2.gz MKGWYSGWVZZMKN-NSHDSACASA-N 1 0 288.311 1.160 20 5 CDBDRO O=C1NCC[C@H]1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895753 912050981 /nfs/dbraw/zinc/05/09/81/912050981.db2.gz IQJRWTPIEKJEDE-TZMCWYRMSA-N 1 0 289.335 1.320 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCCCO)cc1 ZINC000229128112 912068613 /nfs/dbraw/zinc/06/86/13/912068613.db2.gz KMMLQFLFXMVHAN-CYBMUJFWSA-N 1 0 268.313 1.380 20 5 CDBDRO CCC[C@H](O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843074584 919408968 /nfs/dbraw/zinc/40/89/68/919408968.db2.gz NBOAQBLNSLZEGS-STQMWFEESA-N 1 0 268.313 1.379 20 5 CDBDRO CCOc1cnc(-n2nc(C[NH3+])cc2C)c([N+](=O)[O-])c1 ZINC001163980263 924446624 /nfs/dbraw/zinc/44/66/24/924446624.db2.gz PQKQWGSFAOXYDF-UHFFFAOYSA-N 1 0 277.284 1.341 20 5 CDBDRO C[C@@H](CCO)Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001165903864 925042137 /nfs/dbraw/zinc/04/21/37/925042137.db2.gz CAXHSDOOBXSNMN-QMMMGPOBSA-N 1 0 251.286 1.381 20 5 CDBDRO CN(CCNc1ccccc1[N+](=O)[O-])C(=O)CC[NH+](C)C ZINC001101927206 937028578 /nfs/dbraw/zinc/02/85/78/937028578.db2.gz QEBPXZOVNWEFIF-UHFFFAOYSA-N 1 0 294.355 1.417 20 5 CDBDRO [NH3+]Cc1nnnn1-c1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001168919055 927539564 /nfs/dbraw/zinc/53/95/64/927539564.db2.gz TXOGVFRVYXHKQQ-UHFFFAOYSA-N 1 0 297.278 1.091 20 5 CDBDRO CCOC(=O)C1(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1 ZINC001168976733 927562990 /nfs/dbraw/zinc/56/29/90/927562990.db2.gz FWUFTOWBRAUFDO-VXGBXAGGSA-N 1 0 284.356 1.755 20 5 CDBDRO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168966484 927589760 /nfs/dbraw/zinc/58/97/60/927589760.db2.gz INBYZQIKLGBLHT-QJPTWQEYSA-N 1 0 271.361 1.278 20 5 CDBDRO NC(=[NH2+])N(c1ccccc1F)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168973888 927596961 /nfs/dbraw/zinc/59/69/61/927596961.db2.gz PIFBDEXHMPNNDL-VHSXEESVSA-N 1 0 280.303 1.971 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3cnccn3)CC2)C1 ZINC001168997976 927603464 /nfs/dbraw/zinc/60/34/64/927603464.db2.gz GXKMEADAOMFKAY-MNOVXSKESA-N 1 0 262.313 1.501 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[C@H](O)CC2)C1 ZINC001169001492 927605083 /nfs/dbraw/zinc/60/50/83/927605083.db2.gz GMAGURMZUMEAMS-FDYHWXHSSA-N 1 0 256.346 1.573 20 5 CDBDRO Cc1ncncc1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169001478 927605177 /nfs/dbraw/zinc/60/51/77/927605177.db2.gz GICCJTNPHROGPS-ZYHUDNBSSA-N 1 0 250.302 1.320 20 5 CDBDRO CC(C)C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)N(C)C ZINC001169002221 927605233 /nfs/dbraw/zinc/60/52/33/927605233.db2.gz JJMHYCUCNPJABS-XQQFMLRXSA-N 1 0 285.388 1.524 20 5 CDBDRO CCOC(=O)CC1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169004406 927608543 /nfs/dbraw/zinc/60/85/43/927608543.db2.gz QXAOMARUNSHTKQ-MNOVXSKESA-N 1 0 270.329 1.507 20 5 CDBDRO [NH3+]C[C@H](CO)c1ccc(N[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169004280 927608578 /nfs/dbraw/zinc/60/85/78/927608578.db2.gz QJPDXUKKYNUOFV-UXIGCNINSA-N 1 0 293.367 1.579 20 5 CDBDRO CCOC(=O)CC1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169004411 927609028 /nfs/dbraw/zinc/60/90/28/927609028.db2.gz QXAOMARUNSHTKQ-QWRGUYRKSA-N 1 0 270.329 1.507 20 5 CDBDRO COC[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011942 927617961 /nfs/dbraw/zinc/61/79/61/927617961.db2.gz NUTKESCHIWKQJE-XQQFMLRXSA-N 1 0 256.346 1.933 20 5 CDBDRO CC1(C)C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@](C)(CO)C1 ZINC001169014012 927618960 /nfs/dbraw/zinc/61/89/60/927618960.db2.gz XTAGSYIFPIRGCC-SCRDCRAPSA-N 1 0 270.373 1.915 20 5 CDBDRO Cc1ncc(C[N@@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001169036534 927643593 /nfs/dbraw/zinc/64/35/93/927643593.db2.gz GJRWISAVBQKPCP-YPMHNXCESA-N 1 0 264.329 1.662 20 5 CDBDRO COC(=O)C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169038652 927649463 /nfs/dbraw/zinc/64/94/63/927649463.db2.gz JVIIVSBMIQUAJI-YNEHKIRRSA-N 1 0 284.356 1.707 20 5 CDBDRO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169038322 927650873 /nfs/dbraw/zinc/65/08/73/927650873.db2.gz YCONIEFFOWVLLJ-UPJWGTAASA-N 1 0 284.356 1.707 20 5 CDBDRO C[N@@H+]1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C2(CCCC2)C1 ZINC001169051308 927668982 /nfs/dbraw/zinc/66/89/82/927668982.db2.gz CYECTABGMAQDKJ-KGLIPLIRSA-N 1 0 281.400 1.992 20 5 CDBDRO CC(C)C(=O)N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169056376 927675417 /nfs/dbraw/zinc/67/54/17/927675417.db2.gz SLGQROXASXPMML-STQMWFEESA-N 1 0 283.372 1.232 20 5 CDBDRO [NH3+]Cc1ccn(-c2ncc3cccc([N+](=O)[O-])c3n2)c1 ZINC001169725987 928347628 /nfs/dbraw/zinc/34/76/28/928347628.db2.gz QAFOPVCEQRVZDR-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO CN(c1cnc(Cl)cc1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC001170052590 929186297 /nfs/dbraw/zinc/18/62/97/929186297.db2.gz IAUQUCPZHQFENA-UHFFFAOYSA-N 1 0 258.709 1.817 20 5 CDBDRO C[N@H+]1CC=C(CNc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882162680 929956021 /nfs/dbraw/zinc/95/60/21/929956021.db2.gz ZYQRAKWVYDPYLT-UHFFFAOYSA-N 1 0 266.276 1.803 20 5 CDBDRO CC[C@@]([NH3+])(CO)Nc1ccc(NC(C)=O)c([N+](=O)[O-])c1 ZINC001170864227 930521453 /nfs/dbraw/zinc/52/14/53/930521453.db2.gz RYALAUKELQNPTR-LBPRGKRZSA-N 1 0 282.300 1.022 20 5 CDBDRO CC[C@]([NH3+])(CO)Nc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001159743563 930778500 /nfs/dbraw/zinc/77/85/00/930778500.db2.gz IFHAMIPARHOLIW-GFCCVEGCSA-N 1 0 277.284 1.007 20 5 CDBDRO COc1nc(N[C@@H](C[NH3+])C(C)(C)C)nc(OC)c1[N+](=O)[O-] ZINC001160913652 932221329 /nfs/dbraw/zinc/22/13/29/932221329.db2.gz VSNCTGABKRWTNB-ZETCQYMHSA-N 1 0 299.331 1.187 20 5 CDBDRO CC[C@@]1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCC[NH2+]1 ZINC001118268240 937610421 /nfs/dbraw/zinc/61/04/21/937610421.db2.gz UGZBARIKISPLBM-HNNXBMFYSA-N 1 0 289.335 1.969 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H](Nc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001154984978 937616574 /nfs/dbraw/zinc/61/65/74/937616574.db2.gz JWGPHQJHCPRARN-HTQZYQBOSA-N 1 0 286.719 1.563 20 5 CDBDRO COc1cc(NC[C@H]2C[NH2+][C@H](C)C2)ncc1[N+](=O)[O-] ZINC001155101052 937634961 /nfs/dbraw/zinc/63/49/61/937634961.db2.gz HMXGQYXEPPNQSM-RKDXNWHRSA-N 1 0 266.301 1.408 20 5 CDBDRO CSCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001120559883 937810242 /nfs/dbraw/zinc/81/02/42/937810242.db2.gz YOQJPBLZPIPMEB-LLVKDONJSA-N 1 0 256.327 1.581 20 5 CDBDRO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001122321076 937920922 /nfs/dbraw/zinc/92/09/22/937920922.db2.gz SBMDBYGBUUYPAD-WFASDCNBSA-N 1 0 289.335 1.477 20 5 CDBDRO [NH3+]CCON=c1ccc([N+](=O)[O-])c(-c2ccccc2)[n-]1 ZINC001156294081 938348870 /nfs/dbraw/zinc/34/88/70/938348870.db2.gz WXSPLIPRBOQANE-UHFFFAOYSA-N 1 0 274.280 1.959 20 5 CDBDRO [NH3+]CCN(c1cccnc1)c1nc(Cl)ncc1[N+](=O)[O-] ZINC001158000283 938573773 /nfs/dbraw/zinc/57/37/73/938573773.db2.gz LHAMQJBBYYFKJK-UHFFFAOYSA-N 1 0 294.702 1.530 20 5 CDBDRO CC(C)N(c1cc([N+](=O)[O-])ccn1)[C@H]1CC[NH2+]C1 ZINC001158021868 938575639 /nfs/dbraw/zinc/57/56/39/938575639.db2.gz MEVVQRUWARLXSI-NSHDSACASA-N 1 0 250.302 1.567 20 5 CDBDRO [NH3+]CCc1cnn(-c2ncc(Cl)cc2[N+](=O)[O-])c1 ZINC001158096173 938582731 /nfs/dbraw/zinc/58/27/31/938582731.db2.gz LTIGHUUHBYWAGD-UHFFFAOYSA-N 1 0 267.676 1.330 20 5 CDBDRO Cc1cc(-n2nncc2C[NH3+])nc2ccc([N+](=O)[O-])cc12 ZINC001158420172 938620882 /nfs/dbraw/zinc/62/08/82/938620882.db2.gz GDVUNWRHMMUGDI-UHFFFAOYSA-N 1 0 284.279 1.491 20 5 CDBDRO CO[C@@H]1CN(c2nc(Cl)c(C)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC001158705346 938652803 /nfs/dbraw/zinc/65/28/03/938652803.db2.gz JCHCWKYKCAMOKS-IONNQARKSA-N 1 0 286.719 1.114 20 5 CDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[NH2+]C3(CC3)C2)n1 ZINC001158933715 938680320 /nfs/dbraw/zinc/68/03/20/938680320.db2.gz TZOZHQGHOXAQAC-UHFFFAOYSA-N 1 0 283.719 1.289 20 5 CDBDRO [NH3+]Cc1ccc(Nc2nc(Cl)ncc2[N+](=O)[O-])cn1 ZINC001160396469 938784094 /nfs/dbraw/zinc/78/40/94/938784094.db2.gz IPCXLKYXRVSOTA-UHFFFAOYSA-N 1 0 280.675 1.636 20 5 CDBDRO Cc1nc(N[C@@H](C[NH3+])C(C)(C)C)ncc1[N+](=O)[O-] ZINC001160916442 938843385 /nfs/dbraw/zinc/84/33/85/938843385.db2.gz BLSIEXXRQRHMFT-VIFPVBQESA-N 1 0 253.306 1.479 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NCCC[NH+]1CCN(C)CC1 ZINC001161708945 938924095 /nfs/dbraw/zinc/92/40/95/938924095.db2.gz ZAWZBSKYLOOZHI-UHFFFAOYSA-N 1 0 292.383 1.953 20 5 CDBDRO [NH3+][C@H]1CCC[C@H](Nc2cc([N+](=O)[O-])c3nncn3c2)C1 ZINC001162399521 939045321 /nfs/dbraw/zinc/04/53/21/939045321.db2.gz BLMYYTFEGKSXJZ-IUCAKERBSA-N 1 0 276.300 1.319 20 5 CDBDRO COc1ncc([N+](=O)[O-])c(NC[C@H]2CCC[NH2+]C[C@@H]2C)n1 ZINC001162456287 939059185 /nfs/dbraw/zinc/05/91/85/939059185.db2.gz WCZPPJXWQBCCIQ-VHSXEESVSA-N 1 0 295.343 1.441 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162477288 939064511 /nfs/dbraw/zinc/06/45/11/939064511.db2.gz GGZWMNPZOPNBTM-IUCAKERBSA-N 1 0 297.286 1.493 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001162580116 939093055 /nfs/dbraw/zinc/09/30/55/939093055.db2.gz SDNKLLPPDBVPMQ-CYBMUJFWSA-N 1 0 297.334 1.925 20 5 CDBDRO Cc1c[n+]([O-])c(NC[C@@]2(F)CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001162580284 939093283 /nfs/dbraw/zinc/09/32/83/939093283.db2.gz UCSXJQIZZLUKKH-CYBMUJFWSA-N 1 0 298.318 1.430 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2ccc(N[C@@H]3C=C[C@@H]4C[NH2+]C[C@H]34)nc21 ZINC001162796023 939143032 /nfs/dbraw/zinc/14/30/32/939143032.db2.gz BTROISIIGLMRGQ-KXUCPTDWSA-N 1 0 285.307 1.657 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3C=C[C@H]4C[NH2+]C[C@@H]43)c21 ZINC001162801515 939145742 /nfs/dbraw/zinc/14/57/42/939145742.db2.gz JWJLMDYESLUWDS-GARJFASQSA-N 1 0 297.318 1.724 20 5 CDBDRO Cc1nc(NC[C@@H]2CC[NH2+]C[C@@H]2F)ncc1[N+](=O)[O-] ZINC001162808264 939147676 /nfs/dbraw/zinc/14/76/76/939147676.db2.gz HOLLUTBGCLUMFN-IUCAKERBSA-N 1 0 269.280 1.053 20 5 CDBDRO [NH3+][C@H]1COC[C@H]1Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC001162924565 939162120 /nfs/dbraw/zinc/16/21/20/939162120.db2.gz BIZOUMUQNYLOEM-CMPLNLGQSA-N 1 0 274.280 1.281 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)cnc1F ZINC001163328806 939248950 /nfs/dbraw/zinc/24/89/50/939248950.db2.gz RVBFKMPKSQAITJ-NOZJJQNGSA-N 1 0 296.302 1.452 20 5 CDBDRO C[C@@H](C[NH+](C)C)Nc1cc2c(c([N+](=O)[O-])c1)NN(C)C2 ZINC001163785884 939330961 /nfs/dbraw/zinc/33/09/61/939330961.db2.gz IYJKYHFYQXYLKT-VIFPVBQESA-N 1 0 279.344 1.729 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H](C)CC[C@@H]2C[NH3+])n1 ZINC001164066879 939403801 /nfs/dbraw/zinc/40/38/01/939403801.db2.gz ARVAXHZXAOXUKT-WCBMZHEXSA-N 1 0 295.343 1.265 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2C[C@@H](C)CC[C@H]2C[NH3+])n1 ZINC001164067486 939404528 /nfs/dbraw/zinc/40/45/28/939404528.db2.gz CPFHYEGAYRXMGP-WPRPVWTQSA-N 1 0 265.317 1.257 20 5 CDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@H](C[NH3+])CC[C@H]1C ZINC001164467311 939476276 /nfs/dbraw/zinc/47/62/76/939476276.db2.gz GJUMNCOEIVQVDY-KOLCDFICSA-N 1 0 280.328 1.100 20 5 CDBDRO CN(C1C[NH2+]C1)C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001165126455 939515084 /nfs/dbraw/zinc/51/50/84/939515084.db2.gz FVUYVEMKQYJJAM-UHFFFAOYSA-N 1 0 292.673 1.596 20 5 CDBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@@H]4[NH2+]CC[C@H]43)cnc2c1 ZINC001165296857 939542225 /nfs/dbraw/zinc/54/22/25/939542225.db2.gz XSZRPKQLVNSFPT-WCQYABFASA-N 1 0 285.307 1.479 20 5 CDBDRO CN(C[C@@H]1CC[NH2+]C1)c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001166955591 939658794 /nfs/dbraw/zinc/65/87/94/939658794.db2.gz BKKFREXFLVFWEU-SECBINFHSA-N 1 0 275.312 1.517 20 5 CDBDRO COc1ccc(C(=O)CO[C@H](C)C[N+](C)(C)C)c(OC)c1 ZINC001204754815 939788459 /nfs/dbraw/zinc/78/84/59/939788459.db2.gz QFYYRJARCWDZLD-GFCCVEGCSA-N 1 0 296.387 1.998 20 5 CDBDRO CC(C)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001205230943 939839648 /nfs/dbraw/zinc/83/96/48/939839648.db2.gz ZFOKOLBBDMNPBV-CHWSQXEVSA-N 1 0 283.372 1.136 20 5 CDBDRO COC[C@H](C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])OC ZINC000300564789 940764054 /nfs/dbraw/zinc/76/40/54/940764054.db2.gz FRKWWXZTURRMCS-NSHDSACASA-N 1 0 288.731 1.999 20 5 CDBDRO CC(C)([NH3+])CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000406016682 941001799 /nfs/dbraw/zinc/00/17/99/941001799.db2.gz LCPBPVKITJIHCC-UHFFFAOYSA-N 1 0 257.315 1.514 20 5 CDBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1ccc(N)c([N+](=O)[O-])c1 ZINC001217995813 941034156 /nfs/dbraw/zinc/03/41/56/941034156.db2.gz NXESZQPSLVQJHU-NOZJJQNGSA-N 1 0 265.313 1.944 20 5 CDBDRO C[N@@H+]1[C@@H]2C[C@@H](OCc3ccccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001222760255 941632562 /nfs/dbraw/zinc/63/25/62/941632562.db2.gz MCAIUEOPRMAPKC-NILFDRSVSA-N 1 0 290.319 1.916 20 5 CDBDRO COc1ccc(O[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001225767772 941911466 /nfs/dbraw/zinc/91/14/66/941911466.db2.gz UIGJDLFVSWGWDZ-SNVBAGLBSA-N 1 0 252.270 1.686 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226169135 941962357 /nfs/dbraw/zinc/96/23/57/941962357.db2.gz ZCQCQRYALWSYCE-NSHDSACASA-N 1 0 293.323 1.555 20 5 CDBDRO COC(=O)c1ccc2[nH]c(O[C@@H](C)C[N+](C)(C)C)nc2c1 ZINC001226261597 941977401 /nfs/dbraw/zinc/97/74/01/941977401.db2.gz UHOQOGCRGBPWMD-JTQLQIEISA-O 1 0 292.359 1.823 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2ccc(F)cc2o1 ZINC001226454974 942007288 /nfs/dbraw/zinc/00/72/88/942007288.db2.gz PEQSGEULQZTWQG-SNVBAGLBSA-N 1 0 297.306 1.330 20 5 CDBDRO Cc1c(O)cccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227426938 942174057 /nfs/dbraw/zinc/17/40/57/942174057.db2.gz CYNPHHKQWJBRTJ-LLVKDONJSA-O 1 0 268.333 1.063 20 5 CDBDRO COc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1F ZINC001228065139 942264188 /nfs/dbraw/zinc/26/41/88/942264188.db2.gz ZZJYRDLGLUXCMY-SNVBAGLBSA-N 1 0 286.323 1.197 20 5 CDBDRO CC[N@@H+]1CCC[C@H](Oc2cc(=O)[nH]c(C)c2[N+](=O)[O-])C1 ZINC001228688087 942358805 /nfs/dbraw/zinc/35/88/05/942358805.db2.gz DNDGYINVAQFDHU-JTQLQIEISA-N 1 0 281.312 1.867 20 5 CDBDRO CN1CCO[C@@H](COc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001229378831 942460694 /nfs/dbraw/zinc/46/06/94/942460694.db2.gz ABVIMWHJCRSQIJ-SNVBAGLBSA-N 1 0 286.715 1.958 20 5 CDBDRO C[NH+](C)C1CCC(Oc2cc[n+]([O-])cc2[N+](=O)[O-])CC1 ZINC001229452312 942476681 /nfs/dbraw/zinc/47/66/81/942476681.db2.gz PFUGXDMUCITDOM-UHFFFAOYSA-N 1 0 281.312 1.480 20 5 CDBDRO Cc1cc(O)c(O[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC001229750149 942526927 /nfs/dbraw/zinc/52/69/27/942526927.db2.gz KPJWHSWUWRKIOF-VIFPVBQESA-N 1 0 254.286 1.938 20 5 CDBDRO Cc1cc2n[nH]cc2cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001230222608 942591544 /nfs/dbraw/zinc/59/15/44/942591544.db2.gz HPXGVRLMLILOOP-GFCCVEGCSA-N 1 0 292.359 1.234 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2cnc(Cl)nc2n1C ZINC001231109979 942787648 /nfs/dbraw/zinc/78/76/48/942787648.db2.gz ZURQRNRAPCJHNY-QMMMGPOBSA-N 1 0 284.771 1.490 20 5 CDBDRO C[N@@H+]1CC[C@H](Oc2cccc([N+](=O)[O-])c2[N+](=O)[O-])C1 ZINC001233573702 943619921 /nfs/dbraw/zinc/61/99/21/943619921.db2.gz UQTXFKDZHWLNLO-QMMMGPOBSA-N 1 0 267.241 1.586 20 5 CDBDRO CC[N@@H+]1CC[C@H](Oc2cccc([N+](=O)[O-])c2[N+](=O)[O-])C1 ZINC001233576235 943620389 /nfs/dbraw/zinc/62/03/89/943620389.db2.gz WFDJFMIBGLOAPD-VIFPVBQESA-N 1 0 281.268 1.976 20 5 CDBDRO Cc1nccc([N+](=O)[O-])c1O[C@@H]1C[NH+]2CCC1CC2 ZINC001234899260 943968563 /nfs/dbraw/zinc/96/85/63/943968563.db2.gz BELYZGQILFUQAD-GFCCVEGCSA-N 1 0 263.297 1.771 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](CO)CC2CC2)c1 ZINC001262566296 946717397 /nfs/dbraw/zinc/71/73/97/946717397.db2.gz MGVMHPCHAVGRIV-TZMCWYRMSA-N 1 0 280.324 1.379 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCn1ccnn1 ZINC001254534119 947511908 /nfs/dbraw/zinc/51/19/08/947511908.db2.gz URDYYZUGTYCOLM-LLVKDONJSA-N 1 0 275.312 1.407 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N1CCCC1 ZINC001254534739 947515518 /nfs/dbraw/zinc/51/55/18/947515518.db2.gz CIKPEBHINJTPOQ-GFCCVEGCSA-N 1 0 291.351 1.738 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001254551734 947521897 /nfs/dbraw/zinc/52/18/97/947521897.db2.gz DZRWVSFZKDYIJP-ZKYQVNSYSA-N 1 0 282.315 1.931 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)C2 ZINC001254566405 947527531 /nfs/dbraw/zinc/52/75/31/947527531.db2.gz JUMBGRAXRJUQCU-UMVBOHGHSA-N 1 0 276.336 1.955 20 5 CDBDRO CC(C)[C@@H](CO)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254567522 947528396 /nfs/dbraw/zinc/52/83/96/947528396.db2.gz PAHLYXQLYDZTCW-GXTWGEPZSA-N 1 0 264.325 1.669 20 5 CDBDRO C[C@@]1(O)C[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254573483 947533590 /nfs/dbraw/zinc/53/35/90/947533590.db2.gz AHILLSUZJSXUBJ-SGMGOOAPSA-N 1 0 262.309 1.565 20 5 CDBDRO [NH3+]Cc1nccnc1N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254578112 947535282 /nfs/dbraw/zinc/53/52/82/947535282.db2.gz ADVASEFBRZWYSV-LLVKDONJSA-N 1 0 285.307 1.423 20 5 CDBDRO COC(=O)CCCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254585223 947539888 /nfs/dbraw/zinc/53/98/88/947539888.db2.gz LSWZYQJGYJRZSZ-ZDUSSCGKSA-N 1 0 292.335 1.995 20 5 CDBDRO CC(=O)[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254608629 947556808 /nfs/dbraw/zinc/55/68/08/947556808.db2.gz RLVLPJMEPYECBU-IUODEOHRSA-N 1 0 274.320 1.973 20 5 CDBDRO C[NH2+]C1CN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001246525317 948226804 /nfs/dbraw/zinc/22/68/04/948226804.db2.gz WDRFCXZCHPPOBR-AWEZNQCLSA-N 1 0 275.352 1.746 20 5 CDBDRO COc1ccc(C[C@H](C)N2C[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])c1 ZINC001246918324 948518554 /nfs/dbraw/zinc/51/85/54/948518554.db2.gz KMGUHNXPTZHJMY-JVLSTEMRSA-N 1 0 291.351 1.438 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[C@H]3[NH2+]CCC[C@H]3C2)C1 ZINC001247012428 948574937 /nfs/dbraw/zinc/57/49/37/948574937.db2.gz DKMVIEVPCUFOKW-ZOBORPQBSA-N 1 0 267.373 1.506 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC001326049411 954196736 /nfs/dbraw/zinc/19/67/36/954196736.db2.gz OFLFZAUCFZDUPR-LLVKDONJSA-N 1 0 278.312 1.104 20 5 CDBDRO O=C(CCN1Cc2ccc([N+](=O)[O-])cc2C1)N1CCCC1 ZINC001326787570 954549891 /nfs/dbraw/zinc/54/98/91/954549891.db2.gz RKZHYOHLOSTNMD-UHFFFAOYSA-N 1 0 289.335 1.923 20 5 CDBDRO [NH3+][C@@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CCC1 ZINC001329260272 955783400 /nfs/dbraw/zinc/78/34/00/955783400.db2.gz WQLXEKJGTMFECA-CYBMUJFWSA-N 1 0 275.308 1.564 20 5 CDBDRO O=C(CC[NH2+]CC1CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001330034072 956246066 /nfs/dbraw/zinc/24/60/66/956246066.db2.gz GKFNQUQURUXPTD-UHFFFAOYSA-N 1 0 289.335 1.827 20 5 CDBDRO Cc1nnc([C@@H](C)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)[nH]1 ZINC001308744467 956573164 /nfs/dbraw/zinc/57/31/64/956573164.db2.gz GPDUCVNJPHDTDH-CUUXFQNZSA-N 1 0 291.315 1.272 20 5 CDBDRO C[NH+](C)CCNC(=S)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319140186 958391742 /nfs/dbraw/zinc/39/17/42/958391742.db2.gz SUMGEYRRGRFCEE-UHFFFAOYSA-N 1 0 294.380 1.347 20 5 CDBDRO CSC[C@@H](O)C[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC001335313686 959699965 /nfs/dbraw/zinc/69/99/65/959699965.db2.gz INSIWRSWYZMTDO-LBPRGKRZSA-N 1 0 285.369 1.320 20 5 CDBDRO Cc1nn(CN2CCC[N@@H+]3CCC[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC001322188572 960123523 /nfs/dbraw/zinc/12/35/23/960123523.db2.gz YGSVAYVXEIZKJY-ZDUSSCGKSA-N 1 0 293.371 1.536 20 5 CDBDRO C[C@@H]1CCC[N@H+](CCNc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001337734081 961392948 /nfs/dbraw/zinc/39/29/48/961392948.db2.gz NROWHMQCNDZBCB-SNVBAGLBSA-N 1 0 279.344 1.716 20 5 CDBDRO CN(C)[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001338406613 961783108 /nfs/dbraw/zinc/78/31/08/961783108.db2.gz BJNZXSVCCQXXER-HUUCEWRRSA-N 1 0 293.367 1.558 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1C=CCC1 ZINC001338489844 961833452 /nfs/dbraw/zinc/83/34/52/961833452.db2.gz XRJBBPJFTMFBAB-RYUDHWBXSA-N 1 0 278.308 1.643 20 5 CDBDRO CO[C@@]1(C(F)(F)F)CCCN(CC[N+](=O)[O-])C1 ZINC001341265145 963343179 /nfs/dbraw/zinc/34/31/79/963343179.db2.gz HRXSVDCXUBTJCO-QMMMGPOBSA-N 1 0 256.224 1.306 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001342362936 963721597 /nfs/dbraw/zinc/72/15/97/963721597.db2.gz LLCSQKIZOZFLFI-OJDJGZDQSA-N 1 0 289.335 1.646 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC001342649262 963787704 /nfs/dbraw/zinc/78/77/04/963787704.db2.gz OETGCPPDHIEOKS-NWDGAFQWSA-N 1 0 291.351 1.960 20 5 CDBDRO CC[NH+]1CCN(C2CN(c3ccccc3[N+](=O)[O-])C2)CC1 ZINC001354278178 968594547 /nfs/dbraw/zinc/59/45/47/968594547.db2.gz IXMLVRHOGDJRKZ-UHFFFAOYSA-N 1 0 290.367 1.421 20 5 CDBDRO [NH3+]C1CC2(C1)CC(NC(=O)c1cc(F)ccc1[N+](=O)[O-])C2 ZINC001356176814 969353005 /nfs/dbraw/zinc/35/30/05/969353005.db2.gz UXAFLTLSXJMRQH-UHFFFAOYSA-N 1 0 293.298 1.734 20 5 CDBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC001514830780 976360738 /nfs/dbraw/zinc/36/07/38/976360738.db2.gz SSLBLMJYNBYLNC-ZDUSSCGKSA-N 1 0 291.351 1.738 20 5 CDBDRO C[C@@H](CNC(=O)C1=CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001576016588 1171315030 /nfs/dbraw/zinc/31/50/30/1171315030.db2.gz YBCIFRPYHUFXRS-NSHDSACASA-N 1 0 289.335 1.734 20 5 CDBDRO C[C@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000124351235 187133579 /nfs/dbraw/zinc/13/35/79/187133579.db2.gz PXHPFMCNGDXZQY-ZDUSSCGKSA-N 1 0 250.298 1.942 20 5 CDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601129281 342473886 /nfs/dbraw/zinc/47/38/86/342473886.db2.gz PKDLINWPBGPCPD-JTQLQIEISA-N 1 0 295.314 1.806 20 5 CDBDRO C[N@@H+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1(C)C ZINC000601186106 342489440 /nfs/dbraw/zinc/48/94/40/342489440.db2.gz GNFRXBNWWFRSAA-UHFFFAOYSA-N 1 0 266.301 1.226 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1C[C@@H](CO)C1 ZINC000601139852 342479742 /nfs/dbraw/zinc/47/97/42/342479742.db2.gz MDLVWBVZMKDSTD-MPPADUOGSA-N 1 0 262.309 1.969 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000601329892 342554689 /nfs/dbraw/zinc/55/46/89/342554689.db2.gz OEBUBZSMIATTGM-GHMZBOCLSA-N 1 0 265.313 1.395 20 5 CDBDRO CC[C@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H](C)O ZINC000590659870 342581484 /nfs/dbraw/zinc/58/14/84/342581484.db2.gz LBIIMZDKYQLEBQ-ONGXEEELSA-N 1 0 296.323 1.615 20 5 CDBDRO COc1ccc(CN2CC[C@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000591448698 342633000 /nfs/dbraw/zinc/63/30/00/342633000.db2.gz OMQZLESXIWRGMZ-OLZOCXBDSA-N 1 0 291.351 1.787 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1-c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592356703 342687961 /nfs/dbraw/zinc/68/79/61/342687961.db2.gz FVOVLFGFDNTITA-QMMMGPOBSA-N 1 0 263.257 1.408 20 5 CDBDRO [NH3+]C[C@H]1CC[C@H](Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC000592160581 342670699 /nfs/dbraw/zinc/67/06/99/342670699.db2.gz MBPLHROPAZUFPM-XYPYZODXSA-N 1 0 265.313 1.522 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)CO)o2)cc1 ZINC000059820610 342155396 /nfs/dbraw/zinc/15/53/96/342155396.db2.gz PZTGFWKMJUTPMM-LBPRGKRZSA-N 1 0 292.291 1.298 20 5 CDBDRO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[NH2+]1 ZINC000592543852 342708754 /nfs/dbraw/zinc/70/87/54/342708754.db2.gz QJWVXBBXBDSLGE-LLVKDONJSA-N 1 0 280.328 1.003 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000592552743 342709356 /nfs/dbraw/zinc/70/93/56/342709356.db2.gz UNAIYVKZTJSJOF-XYPYZODXSA-N 1 0 294.355 1.428 20 5 CDBDRO CN(CCn1cc([N+](=O)[O-])cn1)CC[NH+]1CCCCC1 ZINC000593110970 342769732 /nfs/dbraw/zinc/76/97/32/342769732.db2.gz AJYCPGGZPSONMC-UHFFFAOYSA-N 1 0 281.360 1.209 20 5 CDBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccco1 ZINC000076267151 342193028 /nfs/dbraw/zinc/19/30/28/342193028.db2.gz BLBPWQIZOHENQL-QMMMGPOBSA-N 1 0 292.299 1.275 20 5 CDBDRO CC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000573573341 361904217 /nfs/dbraw/zinc/90/42/17/361904217.db2.gz YXKVHYDXTRQQCS-UHFFFAOYSA-N 1 0 268.292 1.661 20 5 CDBDRO CC1(C)CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000593502836 342808774 /nfs/dbraw/zinc/80/87/74/342808774.db2.gz VEKKRQUMNFHQLQ-UHFFFAOYSA-N 1 0 295.314 1.487 20 5 CDBDRO CCN1C[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1=O ZINC000593686409 342822439 /nfs/dbraw/zinc/82/24/39/342822439.db2.gz IDOPWLMPYMDNFE-GFCCVEGCSA-N 1 0 277.324 1.553 20 5 CDBDRO Cc1ccc(C[NH2+][C@@H](CO)CCF)cc1[N+](=O)[O-] ZINC000593690180 342823343 /nfs/dbraw/zinc/82/33/43/342823343.db2.gz UNFIODXYWKNUJQ-LLVKDONJSA-N 1 0 256.277 1.713 20 5 CDBDRO C[C@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593726445 342829293 /nfs/dbraw/zinc/82/92/93/342829293.db2.gz HZERAIGWLOXVOX-CMPLNLGQSA-N 1 0 279.340 1.717 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C[C@H](C)O)C1CC1 ZINC000594054413 342872754 /nfs/dbraw/zinc/87/27/54/342872754.db2.gz GGBRQZABJLXFGB-JTQLQIEISA-N 1 0 280.324 1.949 20 5 CDBDRO Cc1ccc(NC(=O)[C@H]2CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000092950751 342270479 /nfs/dbraw/zinc/27/04/79/342270479.db2.gz ABPUNSWYQLBBBY-ONGXEEELSA-N 1 0 263.297 1.840 20 5 CDBDRO Cc1cc(NCc2cccc3c2CC[NH2+]C3)ncc1[N+](=O)[O-] ZINC000600959161 342271569 /nfs/dbraw/zinc/27/15/69/342271569.db2.gz RGIVJGKQHWPYGL-UHFFFAOYSA-N 1 0 298.346 1.978 20 5 CDBDRO O=C(CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1)NC1CC1 ZINC000092988312 342274791 /nfs/dbraw/zinc/27/47/91/342274791.db2.gz GSZQXBJMBRDMKN-UHFFFAOYSA-N 1 0 291.351 1.786 20 5 CDBDRO CC1(C)CN(c2ncnc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000212604654 342278717 /nfs/dbraw/zinc/27/87/17/342278717.db2.gz GUZIBHVURRDYQD-UHFFFAOYSA-N 1 0 287.323 1.726 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420580517 282188124 /nfs/dbraw/zinc/18/81/24/282188124.db2.gz FJHYRSRASZEIHN-SNVBAGLBSA-N 1 0 292.339 1.224 20 5 CDBDRO Cc1c[nH]c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000594923213 342988195 /nfs/dbraw/zinc/98/81/95/342988195.db2.gz XQCZSHPSEJKXBY-UHFFFAOYSA-N 1 0 260.297 1.959 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](O)C[NH+](C)C ZINC000595019573 342995812 /nfs/dbraw/zinc/99/58/12/342995812.db2.gz RJUUKHFFNICSER-PWSUYJOCSA-N 1 0 297.355 1.177 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CNC(=O)C1 ZINC000595043787 342998736 /nfs/dbraw/zinc/99/87/36/342998736.db2.gz AFAASPPPNYSJCO-ZJUUUORDSA-N 1 0 293.323 1.390 20 5 CDBDRO C[C@H]1C[NH2+]CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000126087703 187216267 /nfs/dbraw/zinc/21/62/67/187216267.db2.gz BSLBVVVHMBTGMU-JTQLQIEISA-N 1 0 295.364 1.507 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C/C=C\CO)n1 ZINC000595074002 343002671 /nfs/dbraw/zinc/00/26/71/343002671.db2.gz UQOAOSHNUGYNLP-OPVGQWETSA-N 1 0 280.328 1.413 20 5 CDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CNC(=O)C1 ZINC000595483365 343065551 /nfs/dbraw/zinc/06/55/51/343065551.db2.gz GLHIOXQKBUNERT-LLVKDONJSA-N 1 0 277.324 1.205 20 5 CDBDRO Cc1noc(C[NH2+][C@H]2CCC[C@H]2CCO)c1[N+](=O)[O-] ZINC000595455293 343067524 /nfs/dbraw/zinc/06/75/24/343067524.db2.gz RZDVOGIVKUFMSN-UWVGGRQHSA-N 1 0 269.301 1.532 20 5 CDBDRO Cc1noc(CN(C)C[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000595546466 343084294 /nfs/dbraw/zinc/08/42/94/343084294.db2.gz OFNIPVMBBSPZJH-SNVBAGLBSA-N 1 0 268.317 1.417 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342922922 362039196 /nfs/dbraw/zinc/03/91/96/362039196.db2.gz YWXKQQNFWZJESF-UHFFFAOYSA-N 1 0 290.323 1.758 20 5 CDBDRO CC[NH+](CC)[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000078575987 342338458 /nfs/dbraw/zinc/33/84/58/342338458.db2.gz XSYBAWALDWHVJF-LLVKDONJSA-N 1 0 264.329 1.910 20 5 CDBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000595674540 343128818 /nfs/dbraw/zinc/12/88/18/343128818.db2.gz LERDUMWFLUYKEZ-DGCLKSJQSA-N 1 0 282.344 1.274 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1CCO[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000595926397 343183511 /nfs/dbraw/zinc/18/35/11/343183511.db2.gz DKLZFAHMOQLUET-BIMULSAOSA-N 1 0 293.323 1.136 20 5 CDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1COCCO1 ZINC000595746023 343150838 /nfs/dbraw/zinc/15/08/38/343150838.db2.gz ZNYNUANGDDXUEG-CQSZACIVSA-N 1 0 296.323 1.321 20 5 CDBDRO Cc1ccc(C(=O)N(C)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000595941271 343203735 /nfs/dbraw/zinc/20/37/35/343203735.db2.gz CQNATAVJXPRGJU-UHFFFAOYSA-N 1 0 265.313 1.713 20 5 CDBDRO [NH3+]C1(CNC(=O)c2ccccc2[N+](=O)[O-])CCCC1 ZINC000595941555 343204129 /nfs/dbraw/zinc/20/41/29/343204129.db2.gz SAQSOCFPKLSIRQ-UHFFFAOYSA-N 1 0 263.297 1.596 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1CCC[NH3+] ZINC000595974400 343204462 /nfs/dbraw/zinc/20/44/62/343204462.db2.gz VWEYQRAGAMLAOR-ZYHUDNBSSA-N 1 0 294.355 1.903 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000595985011 343211489 /nfs/dbraw/zinc/21/14/89/343211489.db2.gz ZXWMROAUVKOZIO-NXEZZACHSA-N 1 0 297.380 1.800 20 5 CDBDRO Nc1ccc(N2CCC[C@@H](CC[NH3+])C2)nc1[N+](=O)[O-] ZINC000596015629 343219312 /nfs/dbraw/zinc/21/93/12/343219312.db2.gz FVLBKDCBEKLTIG-VIFPVBQESA-N 1 0 265.317 1.137 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN(C)CC(C)(C)[NH3+] ZINC000595901041 343186802 /nfs/dbraw/zinc/18/68/02/343186802.db2.gz ATZZDUGCAXGEFD-UHFFFAOYSA-N 1 0 267.329 1.773 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000595918414 343191692 /nfs/dbraw/zinc/19/16/92/343191692.db2.gz BRGQDTJQQMOPQI-NSHDSACASA-N 1 0 251.286 1.209 20 5 CDBDRO CN(CC[N@H+](C)C1CC1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596194492 343253861 /nfs/dbraw/zinc/25/38/61/343253861.db2.gz MCJHWNPZLHCVKA-UHFFFAOYSA-N 1 0 266.301 1.226 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596176938 343261194 /nfs/dbraw/zinc/26/11/94/343261194.db2.gz ACJOYNVYRXTHFR-VHSXEESVSA-N 1 0 292.339 1.223 20 5 CDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000382531821 362151165 /nfs/dbraw/zinc/15/11/65/362151165.db2.gz WGSNXWBJMSUNTL-GXSJLCMTSA-N 1 0 263.297 1.452 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000088718592 342387038 /nfs/dbraw/zinc/38/70/38/342387038.db2.gz VOFOJRFGNFXJOQ-CYBMUJFWSA-N 1 0 292.383 1.951 20 5 CDBDRO CCc1nn(C)c(NCC[C@@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000596427938 343312470 /nfs/dbraw/zinc/31/24/70/343312470.db2.gz CIDIIAMFCCHSAZ-SECBINFHSA-N 1 0 269.349 1.643 20 5 CDBDRO C[NH+](C)CC1CN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000597709370 343606617 /nfs/dbraw/zinc/60/66/17/343606617.db2.gz UUPZEUCNMGOWBS-UHFFFAOYSA-N 1 0 269.326 1.290 20 5 CDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000111828912 365796943 /nfs/dbraw/zinc/79/69/43/365796943.db2.gz WNNYFKKQWHUJJN-VIFPVBQESA-N 1 0 268.317 1.037 20 5 CDBDRO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000597997613 343685260 /nfs/dbraw/zinc/68/52/60/343685260.db2.gz NWIMUPSOIIOQKU-SNVBAGLBSA-N 1 0 265.313 1.665 20 5 CDBDRO Cc1ccc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598668275 343871050 /nfs/dbraw/zinc/87/10/50/343871050.db2.gz RRGSGUASMGGNTJ-IUODEOHRSA-N 1 0 289.335 1.857 20 5 CDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC[C@H]1O ZINC000599080851 343956782 /nfs/dbraw/zinc/95/67/82/343956782.db2.gz KRAWRQLKDNAQIK-UXIGCNINSA-N 1 0 294.351 1.655 20 5 CDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2C[C@@H](O)C2)n1 ZINC000599081860 343957068 /nfs/dbraw/zinc/95/70/68/343957068.db2.gz NWQGBJAICBFGRG-YVECIDJPSA-N 1 0 294.355 1.636 20 5 CDBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000515416069 362312469 /nfs/dbraw/zinc/31/24/69/362312469.db2.gz HJAIADZJODKPAX-SECBINFHSA-N 1 0 295.343 1.120 20 5 CDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000600000231 344163034 /nfs/dbraw/zinc/16/30/34/344163034.db2.gz SRNDLEZRLDQEMD-ITGUQSILSA-N 1 0 293.298 1.366 20 5 CDBDRO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1CC[NH3+] ZINC000404382345 347035973 /nfs/dbraw/zinc/03/59/73/347035973.db2.gz UTKUYQSPOIPCRO-GXSJLCMTSA-N 1 0 280.328 1.512 20 5 CDBDRO O=C1CC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CCN1 ZINC000602014447 344313651 /nfs/dbraw/zinc/31/36/51/344313651.db2.gz DKVCBBQHPGWIOK-GFCCVEGCSA-N 1 0 277.324 1.396 20 5 CDBDRO COc1ccc(NC(=O)[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000602131118 344356675 /nfs/dbraw/zinc/35/66/75/344356675.db2.gz QDCNKINJTFGVOL-MRVPVSSYSA-N 1 0 267.285 1.492 20 5 CDBDRO CO[C@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000602431662 344423595 /nfs/dbraw/zinc/42/35/95/344423595.db2.gz IZMGVMQQLQPQNY-BXUZGUMPSA-N 1 0 293.323 1.609 20 5 CDBDRO CC[NH2+][C@@H](C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000602450986 344435101 /nfs/dbraw/zinc/43/51/01/344435101.db2.gz DPIQXOWHTWZMSL-JTQLQIEISA-N 1 0 281.312 1.088 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000602596073 344502623 /nfs/dbraw/zinc/50/26/23/344502623.db2.gz NACBIZRVDPFBIH-GHMZBOCLSA-N 1 0 277.324 1.773 20 5 CDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000602528589 344455106 /nfs/dbraw/zinc/45/51/06/344455106.db2.gz NSNKEEDTKDHUQR-VIFPVBQESA-N 1 0 283.353 1.726 20 5 CDBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000602766295 344573069 /nfs/dbraw/zinc/57/30/69/344573069.db2.gz OGUNJQDNJCYSIZ-GFCCVEGCSA-N 1 0 282.344 1.601 20 5 CDBDRO CC(C)[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CC[N@@H+]1C ZINC000602629399 344521774 /nfs/dbraw/zinc/52/17/74/344521774.db2.gz GFERUXUBZDJTDK-GFCCVEGCSA-N 1 0 281.360 1.100 20 5 CDBDRO CC[N@@H+]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602802055 344591437 /nfs/dbraw/zinc/59/14/37/344591437.db2.gz SKSHIFHFMRVKLV-NSHDSACASA-N 1 0 281.360 1.126 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1ncn(C)n1 ZINC000536910977 282348297 /nfs/dbraw/zinc/34/82/97/282348297.db2.gz RRSZGFRGNZIWJP-NSHDSACASA-N 1 0 289.339 1.925 20 5 CDBDRO COC[C@@](C)(CO)NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000602930762 344661964 /nfs/dbraw/zinc/66/19/64/344661964.db2.gz DCQGXVBVFQKPNM-GFCCVEGCSA-N 1 0 290.266 1.360 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CO)C1CCCC1 ZINC000602838064 344620413 /nfs/dbraw/zinc/62/04/13/344620413.db2.gz PHGQCTNWMLIEOG-GFCCVEGCSA-N 1 0 282.344 1.240 20 5 CDBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000052336805 362511556 /nfs/dbraw/zinc/51/15/56/362511556.db2.gz BPRMXFZPYNHTLS-SMDDNHRTSA-N 1 0 296.371 1.711 20 5 CDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000159778691 362525049 /nfs/dbraw/zinc/52/50/49/362525049.db2.gz CUHGIPDLMIARFQ-DTORHVGOSA-N 1 0 279.271 1.025 20 5 CDBDRO Cc1c(C(=O)N(C)[C@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000159779365 362525999 /nfs/dbraw/zinc/52/59/99/362525999.db2.gz CMPLZIIPONHOHL-CYBMUJFWSA-N 1 0 277.324 1.713 20 5 CDBDRO CN1CC[NH+](CCCn2cc([N+](=O)[O-])c(C3CC3)n2)CC1 ZINC000344138503 362544380 /nfs/dbraw/zinc/54/43/80/362544380.db2.gz NPASNMIHVILNIP-UHFFFAOYSA-N 1 0 293.371 1.306 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000129206100 345274844 /nfs/dbraw/zinc/27/48/44/345274844.db2.gz GKLRTLPEKCZUDD-KWQFWETISA-N 1 0 281.287 1.686 20 5 CDBDRO C[C@]1(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000230734648 345442207 /nfs/dbraw/zinc/44/22/07/345442207.db2.gz XJRLRFHYWMAYBR-LBPRGKRZSA-N 1 0 264.285 1.468 20 5 CDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](CO)C2)c1 ZINC000265882761 362628289 /nfs/dbraw/zinc/62/82/89/362628289.db2.gz PVUCREDSUHCIIC-GFCCVEGCSA-N 1 0 280.324 1.678 20 5 CDBDRO Cc1ccc(C(=O)N2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000088138817 346014337 /nfs/dbraw/zinc/01/43/37/346014337.db2.gz OLCREGFDZLIDCS-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO COc1ccc(C(=O)N2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000127546219 187315323 /nfs/dbraw/zinc/31/53/23/187315323.db2.gz MWDJHMYHBQYLDH-JTQLQIEISA-N 1 0 279.296 1.167 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CCCCCC2)c1 ZINC000037885842 346369837 /nfs/dbraw/zinc/36/98/37/346369837.db2.gz HFEXRYIYMRTVDV-CYBMUJFWSA-N 1 0 282.344 1.465 20 5 CDBDRO CC[N@@H+]1CCN(c2ncccc2[N+](=O)[O-])C[C@H]1C ZINC000611084426 346603508 /nfs/dbraw/zinc/60/35/08/346603508.db2.gz ZRHUWJLYHXWKGI-SNVBAGLBSA-N 1 0 250.302 1.520 20 5 CDBDRO C[C@@](C[NH3+])(NC(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000130287085 346674566 /nfs/dbraw/zinc/67/45/66/346674566.db2.gz LBKJEMCZCSFMBS-ZDUSSCGKSA-N 1 0 263.297 1.452 20 5 CDBDRO Cc1nc(N2CCC([C@H](C)[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000124121697 136705413 /nfs/dbraw/zinc/70/54/13/136705413.db2.gz WWPHLNLFTOESAB-VIFPVBQESA-N 1 0 264.329 1.862 20 5 CDBDRO C[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[NH+](C)C ZINC000058831713 347393526 /nfs/dbraw/zinc/39/35/26/347393526.db2.gz FWHUIJSXCVZZLN-VIFPVBQESA-N 1 0 290.323 1.756 20 5 CDBDRO CN(CCC[NH3+])C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000122221205 347616933 /nfs/dbraw/zinc/61/69/33/347616933.db2.gz NLXAVEFHTPBOEY-UHFFFAOYSA-N 1 0 255.249 1.155 20 5 CDBDRO C[N@@H+](Cc1ccsc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304344197 347614956 /nfs/dbraw/zinc/61/49/56/347614956.db2.gz QARQCLVYWJTCKX-LBPRGKRZSA-N 1 0 296.352 1.346 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H](n3cncn3)C2)c(F)c1 ZINC000614420474 348106905 /nfs/dbraw/zinc/10/69/05/348106905.db2.gz VVDRTIZPJPDDCJ-GFCCVEGCSA-N 1 0 291.286 1.772 20 5 CDBDRO CC[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000165981518 358454292 /nfs/dbraw/zinc/45/42/92/358454292.db2.gz ZXYUHDUFXFADNO-NOZJJQNGSA-N 1 0 295.314 1.933 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000068341709 349062296 /nfs/dbraw/zinc/06/22/96/349062296.db2.gz PHPGMEYPFXXHNO-LLVKDONJSA-N 1 0 277.324 1.761 20 5 CDBDRO [NH3+]C[C@H]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000104334943 185974132 /nfs/dbraw/zinc/97/41/32/185974132.db2.gz KXGHMJPALKAJDX-MRVPVSSYSA-N 1 0 283.715 1.669 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091543114 180184701 /nfs/dbraw/zinc/18/47/01/180184701.db2.gz KFMUUODKUKTIRR-PWSUYJOCSA-N 1 0 277.324 1.681 20 5 CDBDRO Cc1c(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000091548079 180187773 /nfs/dbraw/zinc/18/77/73/180187773.db2.gz SEHGOEKEYQYIFJ-VHSXEESVSA-N 1 0 263.297 1.969 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000092133957 180331557 /nfs/dbraw/zinc/33/15/57/180331557.db2.gz WKGZRWKZWNUCDG-VHSXEESVSA-N 1 0 265.313 1.628 20 5 CDBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000106879706 186146257 /nfs/dbraw/zinc/14/62/57/186146257.db2.gz RBYPMHCWPMWJQT-GFCCVEGCSA-N 1 0 266.297 1.694 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000161403293 362957563 /nfs/dbraw/zinc/95/75/63/362957563.db2.gz HAGFABYCVHXORV-NEPJUHHUSA-N 1 0 277.324 1.523 20 5 CDBDRO Cn1cc(CC[NH2+]Cc2csc([N+](=O)[O-])c2)cn1 ZINC000111158529 186362130 /nfs/dbraw/zinc/36/21/30/186362130.db2.gz KCFCKEVKGDCVFI-UHFFFAOYSA-N 1 0 266.326 1.722 20 5 CDBDRO CN(CC1([NH+](C)C)CCC1)c1ccc(N)c([N+](=O)[O-])n1 ZINC000312605226 350787249 /nfs/dbraw/zinc/78/72/49/350787249.db2.gz YTXKPXAQNCORNW-UHFFFAOYSA-N 1 0 279.344 1.493 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000124793269 351371851 /nfs/dbraw/zinc/37/18/51/351371851.db2.gz MBCPYZNAOXLQDZ-HTQZYQBOSA-N 1 0 269.326 1.608 20 5 CDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000156094938 351451251 /nfs/dbraw/zinc/45/12/51/351451251.db2.gz BISMEZJZZVGOIY-ZJUUUORDSA-N 1 0 278.312 1.938 20 5 CDBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000122036325 187011384 /nfs/dbraw/zinc/01/13/84/187011384.db2.gz NATDELCFOKJQBL-LBPRGKRZSA-N 1 0 268.317 1.416 20 5 CDBDRO Cc1n[nH]c(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000291906848 198101729 /nfs/dbraw/zinc/10/17/29/198101729.db2.gz NIFPHKWUJJOYTO-MRVPVSSYSA-N 1 0 283.332 1.085 20 5 CDBDRO COc1ccc(NC(=O)[C@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000136477766 363111206 /nfs/dbraw/zinc/11/12/06/363111206.db2.gz IBWQRVPHFNOUKN-CQSZACIVSA-N 1 0 293.323 1.932 20 5 CDBDRO C[C@@H](CCCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000292065714 198151140 /nfs/dbraw/zinc/15/11/40/198151140.db2.gz KQQKHWKJGLZGNP-QMMMGPOBSA-N 1 0 271.342 1.904 20 5 CDBDRO Cc1cc(C(=O)N[C@@H](C[NH3+])C2CC2)cc([N+](=O)[O-])c1 ZINC000135240392 187810735 /nfs/dbraw/zinc/81/07/35/187810735.db2.gz SKGDAZPXAQQKSY-LBPRGKRZSA-N 1 0 263.297 1.370 20 5 CDBDRO O=[N+]([O-])c1c(N[C@H]2CC[NH2+]C2)nc2sccn21 ZINC000052093853 123949855 /nfs/dbraw/zinc/94/98/55/123949855.db2.gz ILYSCPMHUGVFFQ-LURJTMIESA-N 1 0 253.287 1.078 20 5 CDBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000156736943 188279198 /nfs/dbraw/zinc/27/91/98/188279198.db2.gz XVTGDRJDJVLAQU-NXEZZACHSA-N 1 0 265.313 1.237 20 5 CDBDRO C[NH+]1CCN(CCCNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413034734 363220819 /nfs/dbraw/zinc/22/08/19/363220819.db2.gz OAWDITOSXZMHME-UHFFFAOYSA-N 1 0 297.334 1.178 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000135429401 358479388 /nfs/dbraw/zinc/47/93/88/358479388.db2.gz ZOZZPUHHJYFFGS-GHMZBOCLSA-N 1 0 277.324 1.713 20 5 CDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135429447 358479894 /nfs/dbraw/zinc/47/98/94/358479894.db2.gz WKMSGJNXKOSJEQ-DTWKUNHWSA-N 1 0 281.287 1.543 20 5 CDBDRO C[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000454588060 252353911 /nfs/dbraw/zinc/35/39/11/252353911.db2.gz PUILKVWAMYKJMI-NSHDSACASA-N 1 0 294.355 1.387 20 5 CDBDRO CC(C)[C@H](CCO)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000162237058 188565588 /nfs/dbraw/zinc/56/55/88/188565588.db2.gz KVWPNHZOJZBMRH-AWEZNQCLSA-N 1 0 282.340 1.970 20 5 CDBDRO O=[N+]([O-])c1ccccc1CNC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000112839637 366160164 /nfs/dbraw/zinc/16/01/64/366160164.db2.gz IEHVBBOTWJJUCH-ZIAGYGMSSA-N 1 0 291.351 1.548 20 5 CDBDRO C[C@H]1CCSCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000286332166 356254894 /nfs/dbraw/zinc/25/48/94/356254894.db2.gz XBLDZSQCWXHUPN-NSHDSACASA-N 1 0 297.380 1.584 20 5 CDBDRO CC(=O)c1cc(NC[C@@](C)(O)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000286387967 356279488 /nfs/dbraw/zinc/27/94/88/356279488.db2.gz YSIOBEHJHWVGRB-CQSZACIVSA-N 1 0 295.339 1.522 20 5 CDBDRO CCC[C@@H]([NH3+])c1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000229925834 356313619 /nfs/dbraw/zinc/31/36/19/356313619.db2.gz QJRRWAHBGPAACE-LLVKDONJSA-N 1 0 261.285 1.975 20 5 CDBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000046861552 357149090 /nfs/dbraw/zinc/14/90/90/357149090.db2.gz QNPGAMOBCBVSGG-JTQLQIEISA-N 1 0 281.312 1.650 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261598652 357247098 /nfs/dbraw/zinc/24/70/98/357247098.db2.gz PERPGEGOIJGCFX-VHSXEESVSA-N 1 0 265.288 1.780 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261612040 357252556 /nfs/dbraw/zinc/25/25/56/357252556.db2.gz FCPRDWJPJADNOM-LLVKDONJSA-N 1 0 294.330 1.218 20 5 CDBDRO CCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000331292084 357338662 /nfs/dbraw/zinc/33/86/62/357338662.db2.gz KVGBMIWDGDXAFX-BDAKNGLRSA-N 1 0 295.343 1.093 20 5 CDBDRO O=C1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C2(CCC2)N1 ZINC000282704683 357472178 /nfs/dbraw/zinc/47/21/78/357472178.db2.gz GFHQVFGMFIXJBC-CYBMUJFWSA-N 1 0 289.335 1.886 20 5 CDBDRO O=C(NCC1=CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000186328169 357638175 /nfs/dbraw/zinc/63/81/75/357638175.db2.gz PQCVYOLSXUGPOY-UHFFFAOYSA-N 1 0 295.726 1.898 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)Cc1ncc[nH]1 ZINC000360910676 357741648 /nfs/dbraw/zinc/74/16/48/357741648.db2.gz XBFXDFUNYDTHCB-UHFFFAOYSA-N 1 0 264.289 1.479 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[NH2+]1 ZINC000135221020 357792269 /nfs/dbraw/zinc/79/22/69/357792269.db2.gz CJZUKSOYNOPQQX-GFCCVEGCSA-N 1 0 277.324 1.396 20 5 CDBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000036256854 357818202 /nfs/dbraw/zinc/81/82/02/357818202.db2.gz GRIPCFJKQHHROA-GFCCVEGCSA-N 1 0 289.335 1.999 20 5 CDBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000094339947 358207602 /nfs/dbraw/zinc/20/76/02/358207602.db2.gz BIUJJYAWCKMIQI-MFKMUULPSA-N 1 0 277.324 1.333 20 5 CDBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1F ZINC000294748529 199164610 /nfs/dbraw/zinc/16/46/10/199164610.db2.gz CXNFZTQOTVSENQ-JTQLQIEISA-N 1 0 295.314 1.996 20 5 CDBDRO COc1cc(C[NH2+]CCCCO)c([N+](=O)[O-])cc1O ZINC000193249668 358277298 /nfs/dbraw/zinc/27/72/98/358277298.db2.gz YFJRRGVUGJFSOW-UHFFFAOYSA-N 1 0 270.285 1.171 20 5 CDBDRO C[NH2+]CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000193140391 358269440 /nfs/dbraw/zinc/26/94/40/358269440.db2.gz ZZIMXSZYMPRRLJ-UHFFFAOYSA-N 1 0 263.297 1.305 20 5 CDBDRO C[C@H]([NH2+]CCOCCO)c1ccc([N+](=O)[O-])cc1 ZINC000037177161 363605295 /nfs/dbraw/zinc/60/52/95/363605295.db2.gz UGMQCRVFFXMDHP-JTQLQIEISA-N 1 0 254.286 1.254 20 5 CDBDRO CC[NH2+]CCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000088147710 358357472 /nfs/dbraw/zinc/35/74/72/358357472.db2.gz FJYLWCGLWZOKEV-UHFFFAOYSA-N 1 0 251.286 1.243 20 5 CDBDRO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000361662664 358409845 /nfs/dbraw/zinc/40/98/45/358409845.db2.gz RBDZWIOATITVRA-CMPLNLGQSA-N 1 0 250.298 1.655 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1CO ZINC000194879393 358397722 /nfs/dbraw/zinc/39/77/22/358397722.db2.gz YUXLIOKIIPNFNT-KOLCDFICSA-N 1 0 295.295 1.563 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CC[NH+](C)C)c1 ZINC000264899344 358758889 /nfs/dbraw/zinc/75/88/89/358758889.db2.gz LDPYDNKUFVGEHC-SNVBAGLBSA-N 1 0 295.339 1.673 20 5 CDBDRO CC(C)(CC(N)=O)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000186216553 358791914 /nfs/dbraw/zinc/79/19/14/358791914.db2.gz OQVCHTIOGXLPEH-UHFFFAOYSA-N 1 0 285.731 1.992 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000262496367 358841777 /nfs/dbraw/zinc/84/17/77/358841777.db2.gz WRODSSMNYGWCLU-SNVBAGLBSA-N 1 0 281.312 1.088 20 5 CDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH3+])cc1OC ZINC000262542061 358847521 /nfs/dbraw/zinc/84/75/21/358847521.db2.gz SIVADJJOZZXZFL-QMMMGPOBSA-N 1 0 297.311 1.079 20 5 CDBDRO [NH3+]CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000070187626 358916898 /nfs/dbraw/zinc/91/68/98/358916898.db2.gz WGQDYJJJTKNOSN-UHFFFAOYSA-N 1 0 277.324 1.796 20 5 CDBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H]1[NH+](C)C ZINC000332665161 358879796 /nfs/dbraw/zinc/87/97/96/358879796.db2.gz PPPBGFPXTZUZCG-WDEREUQCSA-N 1 0 298.368 1.041 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](C)[NH3+])c1 ZINC000381348831 359038788 /nfs/dbraw/zinc/03/87/88/359038788.db2.gz HLLGZNUYQXESIV-DTWKUNHWSA-N 1 0 251.286 1.369 20 5 CDBDRO CC[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1CCOC ZINC000105791319 358986843 /nfs/dbraw/zinc/98/68/43/358986843.db2.gz ROENUAMRUFPBFJ-GFCCVEGCSA-N 1 0 294.355 1.537 20 5 CDBDRO CC[C@H]1C[N@H+](CC)CCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC000450830541 359013162 /nfs/dbraw/zinc/01/31/62/359013162.db2.gz OGMQRXVTOKTZHM-NSHDSACASA-N 1 0 279.344 1.614 20 5 CDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000127453397 359090093 /nfs/dbraw/zinc/09/00/93/359090093.db2.gz MEYQQQWHFMOTGA-CQSZACIVSA-N 1 0 279.340 1.627 20 5 CDBDRO COCC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000338383340 359126316 /nfs/dbraw/zinc/12/63/16/359126316.db2.gz QOUIJWDHJXRRMP-LLVKDONJSA-N 1 0 284.360 1.832 20 5 CDBDRO CCOc1ccc(C(=O)NCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000342609772 359138235 /nfs/dbraw/zinc/13/82/35/359138235.db2.gz SRAYNHZLRVIIJD-UHFFFAOYSA-N 1 0 293.323 1.605 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CC(C3CCCC3)C2)c1 ZINC000366507929 363629605 /nfs/dbraw/zinc/62/96/05/363629605.db2.gz WPJQEDQZKZEZDO-AWEZNQCLSA-N 1 0 294.355 1.274 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@]1(O)CCOC1 ZINC000339054039 359278948 /nfs/dbraw/zinc/27/89/48/359278948.db2.gz HRQKPZAIOYPALK-PKXJPQMGSA-N 1 0 278.308 1.349 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)C2(C[NH3+])CCC2)c1 ZINC000571396803 359563815 /nfs/dbraw/zinc/56/38/15/359563815.db2.gz MMDJTKJOZXBVFU-UHFFFAOYSA-N 1 0 293.323 1.557 20 5 CDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000130340126 359643664 /nfs/dbraw/zinc/64/36/64/359643664.db2.gz PFHYYERHMHHTBJ-QMMMGPOBSA-N 1 0 271.342 1.904 20 5 CDBDRO CC[NH+](CC)[C@@H]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000297160943 200101993 /nfs/dbraw/zinc/10/19/93/200101993.db2.gz OYWFFGRWVYUUAN-LLVKDONJSA-N 1 0 279.344 1.614 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](CO)C2)cc1 ZINC000051887253 359949109 /nfs/dbraw/zinc/94/91/09/359949109.db2.gz SBJGWERMHRUBLF-GFCCVEGCSA-N 1 0 250.298 1.452 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000408244700 360040616 /nfs/dbraw/zinc/04/06/16/360040616.db2.gz DGPCHWDUQPEGNO-AOOOYVTPSA-N 1 0 250.302 1.560 20 5 CDBDRO Cc1cc(=O)n(CC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000514789300 360231580 /nfs/dbraw/zinc/23/15/80/360231580.db2.gz KPOQAHPDNZUDNS-NSHDSACASA-N 1 0 265.313 1.455 20 5 CDBDRO CCCC[N@H+](C)CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000112310437 360521593 /nfs/dbraw/zinc/52/15/93/360521593.db2.gz RJBCRZMXCVOARZ-UHFFFAOYSA-N 1 0 293.367 1.985 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000147942730 360720391 /nfs/dbraw/zinc/72/03/91/360720391.db2.gz XMWMIUUSYSJEKK-SECBINFHSA-N 1 0 267.260 1.168 20 5 CDBDRO [NH3+][C@@H]1CC[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000150845087 283597799 /nfs/dbraw/zinc/59/77/99/283597799.db2.gz GCVOHSOLDGWAMV-WDEREUQCSA-N 1 0 275.308 1.611 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000168400879 361179949 /nfs/dbraw/zinc/17/99/49/361179949.db2.gz LSBOADPEWUXZLL-QWRGUYRKSA-N 1 0 280.324 1.806 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000070076342 361238146 /nfs/dbraw/zinc/23/81/46/361238146.db2.gz LXDMDLMDYUXQPC-QWRGUYRKSA-N 1 0 277.324 1.726 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000037982639 361285880 /nfs/dbraw/zinc/28/58/80/361285880.db2.gz OPKVUVUUHJEKKR-LLVKDONJSA-N 1 0 284.337 1.119 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC[NH2+]CC1 ZINC000037993139 361389436 /nfs/dbraw/zinc/38/94/36/361389436.db2.gz TVARPZXGITWCKT-UHFFFAOYSA-N 1 0 255.299 1.092 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCO)C1CC1 ZINC000151717724 361680045 /nfs/dbraw/zinc/68/00/45/361680045.db2.gz AZZRLYMPXLUDFJ-CYBMUJFWSA-N 1 0 264.325 1.888 20 5 CDBDRO COC[C@H](O)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000129744251 364089733 /nfs/dbraw/zinc/08/97/33/364089733.db2.gz CAKJCWNGVAXMAY-WCQYABFASA-N 1 0 282.340 1.513 20 5 CDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 ZINC000582504431 364102215 /nfs/dbraw/zinc/10/22/15/364102215.db2.gz DNXICWKIBQSRIG-CYBMUJFWSA-N 1 0 278.312 1.091 20 5 CDBDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000168145880 364118485 /nfs/dbraw/zinc/11/84/85/364118485.db2.gz BOPLBZCBOOGQTN-HUTHGQBESA-N 1 0 256.327 1.451 20 5 CDBDRO CSCC[C@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174868615 364586540 /nfs/dbraw/zinc/58/65/40/364586540.db2.gz FKAUJOKTGIUDMW-JTQLQIEISA-N 1 0 272.374 1.865 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CO)[C@H]2CCCOC2)cc1 ZINC000411996575 239898191 /nfs/dbraw/zinc/89/81/91/239898191.db2.gz SCWPRFADIHGXIX-ZFWWWQNUSA-N 1 0 294.351 1.514 20 5 CDBDRO COc1ccc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000280411599 364834332 /nfs/dbraw/zinc/83/43/32/364834332.db2.gz YNLMBMXUQWUQGF-AWEZNQCLSA-N 1 0 293.323 1.301 20 5 CDBDRO C[C@@H]([NH2+]CCCOCCO)c1ccc([N+](=O)[O-])cc1 ZINC000180238536 365003802 /nfs/dbraw/zinc/00/38/02/365003802.db2.gz FDOLPYGCBAVOTF-LLVKDONJSA-N 1 0 268.313 1.644 20 5 CDBDRO CCOC[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270954738 366946061 /nfs/dbraw/zinc/94/60/61/366946061.db2.gz YCNUKFLGVYFXSV-HNNXBMFYSA-N 1 0 294.351 1.957 20 5 CDBDRO C[NH2+]CCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414819295 366954418 /nfs/dbraw/zinc/95/44/18/366954418.db2.gz HDWNQLSESOHXCW-UHFFFAOYSA-N 1 0 275.255 1.505 20 5 CDBDRO CC[N@H+](CCCO)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000271200512 366984262 /nfs/dbraw/zinc/98/42/62/366984262.db2.gz PSFZIVHXGVRDPI-UHFFFAOYSA-N 1 0 298.339 1.816 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000414663523 241309362 /nfs/dbraw/zinc/30/93/62/241309362.db2.gz SJEPKCFCNMCAPS-VIFPVBQESA-N 1 0 264.285 1.387 20 5 CDBDRO C[C@@]1(F)C[NH2+]CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000414772977 241379165 /nfs/dbraw/zinc/37/91/65/241379165.db2.gz VZXJCVOYEMXZGK-CYBMUJFWSA-N 1 0 267.304 1.728 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)C1C[NH2+]C1 ZINC000415296065 241636633 /nfs/dbraw/zinc/63/66/33/241636633.db2.gz MHBYSXZMOCOPMJ-UHFFFAOYSA-N 1 0 278.312 1.647 20 5 CDBDRO CCN(Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCNC1=O ZINC000440969562 367338665 /nfs/dbraw/zinc/33/86/65/367338665.db2.gz YCOITKCWHLCPHA-GFCCVEGCSA-N 1 0 293.323 1.314 20 5 CDBDRO Cc1cccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000161176406 367479355 /nfs/dbraw/zinc/47/93/55/367479355.db2.gz BHZVALCRUSKMMV-MNOVXSKESA-N 1 0 277.324 1.903 20 5 CDBDRO [NH3+][C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000417213466 242360892 /nfs/dbraw/zinc/36/08/92/242360892.db2.gz CGJGLRTVFSJWOE-ZDUSSCGKSA-N 1 0 292.339 1.174 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417226573 242366295 /nfs/dbraw/zinc/36/62/95/242366295.db2.gz KVUXAWQKIGYZLP-LLVKDONJSA-N 1 0 280.328 1.174 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272450258 367736497 /nfs/dbraw/zinc/73/64/97/367736497.db2.gz JMQNUKPYZZLXNT-MWLCHTKSSA-N 1 0 295.364 1.823 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418408151 243039603 /nfs/dbraw/zinc/03/96/03/243039603.db2.gz UGIZJGDAJDQGEI-LBPRGKRZSA-N 1 0 292.339 1.474 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC1([NH3+])CCC1 ZINC000418505124 243153951 /nfs/dbraw/zinc/15/39/51/243153951.db2.gz CAXXBEOFDMBNER-UHFFFAOYSA-N 1 0 292.339 1.618 20 5 CDBDRO CCC[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000330460410 202853723 /nfs/dbraw/zinc/85/37/23/202853723.db2.gz KNTMNMLZSCCVKX-UHFFFAOYSA-N 1 0 294.355 1.869 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000089108770 368973769 /nfs/dbraw/zinc/97/37/69/368973769.db2.gz BGQHQUZBMYNYOJ-KOLCDFICSA-N 1 0 250.302 1.919 20 5 CDBDRO Cc1nc(N[C@H]2CC[C@@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000420273247 244010269 /nfs/dbraw/zinc/01/02/69/244010269.db2.gz LVRZGFFNYGUQIG-BDAKNGLRSA-N 1 0 251.290 1.233 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH2+][C@@H](C)C1 ZINC000420340190 244111990 /nfs/dbraw/zinc/11/19/90/244111990.db2.gz SCHLIXAPAWQFKX-NSHDSACASA-N 1 0 292.339 1.135 20 5 CDBDRO CCCN(CCC[NH+](C)C)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000276460948 193341052 /nfs/dbraw/zinc/34/10/52/193341052.db2.gz XMKLRYTYAOMZCP-UHFFFAOYSA-N 1 0 297.359 1.430 20 5 CDBDRO Cc1ccc(NCCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000037760131 370078301 /nfs/dbraw/zinc/07/83/01/370078301.db2.gz LTWZIQZIMCSPAX-UHFFFAOYSA-N 1 0 278.356 1.563 20 5 CDBDRO CCC[C@@H]([NH3+])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766540 370079478 /nfs/dbraw/zinc/07/94/78/370079478.db2.gz YXMFVAFOOVEBCS-BXKDBHETSA-N 1 0 265.313 1.899 20 5 CDBDRO C[C@@H](CC[NH+](C)C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266126789 370315114 /nfs/dbraw/zinc/31/51/14/370315114.db2.gz FTDQELOREDPQPV-NSHDSACASA-N 1 0 279.340 1.594 20 5 CDBDRO CC[C@@H](CO)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000295601920 370515585 /nfs/dbraw/zinc/51/55/85/370515585.db2.gz CKDFKSOQBKGSKY-NWDGAFQWSA-N 1 0 298.339 1.037 20 5 CDBDRO COCC[NH2+]CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000162242543 370597705 /nfs/dbraw/zinc/59/77/05/370597705.db2.gz MVWUBDMOHBSRDP-UHFFFAOYSA-N 1 0 295.339 1.182 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]C1 ZINC000422749606 245212123 /nfs/dbraw/zinc/21/21/23/245212123.db2.gz ZYMPZZLQZQNTFS-JTQLQIEISA-N 1 0 263.297 1.303 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H](c1ccco1)[NH+](C)C ZINC000266291066 372019559 /nfs/dbraw/zinc/01/95/59/372019559.db2.gz AYOBNTFETWEMCH-VIFPVBQESA-N 1 0 279.300 1.636 20 5 CDBDRO CC(C)[C@@H](C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266392842 372779687 /nfs/dbraw/zinc/77/96/87/372779687.db2.gz CKSDJBDFRGVTHM-ZYHUDNBSSA-N 1 0 270.333 1.129 20 5 CDBDRO [NH3+]CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000383284640 372999485 /nfs/dbraw/zinc/99/94/85/372999485.db2.gz KCGZSIFPYHTAHK-VIFPVBQESA-N 1 0 288.254 1.699 20 5 CDBDRO COCC[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269641617 373243470 /nfs/dbraw/zinc/24/34/70/373243470.db2.gz CNLUYYDNAFTPOP-GFCCVEGCSA-N 1 0 254.286 1.206 20 5 CDBDRO CC[N@@H+]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269678765 373711086 /nfs/dbraw/zinc/71/10/86/373711086.db2.gz QHBQSKIFJJAEEO-HNNXBMFYSA-N 1 0 293.367 1.656 20 5 CDBDRO Cc1cc(C(=O)NC[C@@H](C)C[NH3+])cc([N+](=O)[O-])c1 ZINC000441620112 373716902 /nfs/dbraw/zinc/71/69/02/373716902.db2.gz KVYAVPHYTYKDTE-VIFPVBQESA-N 1 0 251.286 1.228 20 5 CDBDRO O=C(C[C@H]1CSCC[NH2+]1)NCc1ccc([N+](=O)[O-])cc1 ZINC000091135351 373747600 /nfs/dbraw/zinc/74/76/00/373747600.db2.gz LSTIUXJUBBXXRK-NSHDSACASA-N 1 0 295.364 1.306 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@H+](C)C(C)C ZINC000091557620 374034107 /nfs/dbraw/zinc/03/41/07/374034107.db2.gz IZSWFCXSKLINJC-UHFFFAOYSA-N 1 0 269.349 1.872 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H](C[NH3+])C1 ZINC000091555166 374034672 /nfs/dbraw/zinc/03/46/72/374034672.db2.gz JRDKPFNOHGOTON-JTQLQIEISA-N 1 0 267.333 1.295 20 5 CDBDRO COc1ccc(C(=O)N(C)C2(C[NH3+])CCC2)cc1[N+](=O)[O-] ZINC000385445434 374165264 /nfs/dbraw/zinc/16/52/64/374165264.db2.gz IEGYJOLDKJXIIQ-UHFFFAOYSA-N 1 0 293.323 1.557 20 5 CDBDRO Cc1ccc(S(=O)(=O)NCC2([NH3+])CCC2)c([N+](=O)[O-])c1 ZINC000342491469 374258235 /nfs/dbraw/zinc/25/82/35/374258235.db2.gz CDGJQRLSTWFWMH-UHFFFAOYSA-N 1 0 299.352 1.063 20 5 CDBDRO Cc1nc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000420156591 374289283 /nfs/dbraw/zinc/28/92/83/374289283.db2.gz FNHCHLFGXZEURA-WCBMZHEXSA-N 1 0 265.317 1.493 20 5 CDBDRO Cc1c(CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000423806768 246104581 /nfs/dbraw/zinc/10/45/81/246104581.db2.gz IQLWIALPHZPLHF-SWLSCSKDSA-N 1 0 289.335 1.519 20 5 CDBDRO C[C@@H](NC[C@H]1C[NH2+]CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423506507 374385083 /nfs/dbraw/zinc/38/50/83/374385083.db2.gz HATZEQORPVVGGR-BXUZGUMPSA-N 1 0 279.340 1.624 20 5 CDBDRO CC[C@H](COC)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000079742437 374422631 /nfs/dbraw/zinc/42/26/31/374422631.db2.gz ZLBYHPZUVYRKGR-LLVKDONJSA-N 1 0 268.313 1.988 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC(=O)N2)cc1[N+](=O)[O-] ZINC000079927348 374430861 /nfs/dbraw/zinc/43/08/61/374430861.db2.gz FIWKJVAFEXEIFY-JQWIXIFHSA-N 1 0 277.324 1.832 20 5 CDBDRO O=[N+]([O-])c1cccc(C[NH2+]C2CCC(O)CC2)c1 ZINC000020089502 374507501 /nfs/dbraw/zinc/50/75/01/374507501.db2.gz YYNKNGRLMZDUEN-UHFFFAOYSA-N 1 0 250.298 1.988 20 5 CDBDRO C[NH+](C)CCCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000082261975 374601179 /nfs/dbraw/zinc/60/11/79/374601179.db2.gz KNMGPUIBUYHUJR-UHFFFAOYSA-N 1 0 265.313 1.666 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000070177036 374656120 /nfs/dbraw/zinc/65/61/20/374656120.db2.gz MADDKKHAJYPTAE-MFKMUULPSA-N 1 0 277.324 1.794 20 5 CDBDRO C[C@@H]1[NH2+]CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000277543010 374794369 /nfs/dbraw/zinc/79/43/69/374794369.db2.gz XDFYYPHTWIGBMQ-BRQSLIGTSA-N 1 0 289.335 1.817 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C1CC1 ZINC000449324186 374799293 /nfs/dbraw/zinc/79/92/93/374799293.db2.gz DCELASAIYFOCRZ-QMTHXVAHSA-N 1 0 264.325 1.886 20 5 CDBDRO CC(C)c1ccc(C[NH2+]C[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000330453485 374853525 /nfs/dbraw/zinc/85/35/25/374853525.db2.gz LOFVSDVAADVVOD-OAHLLOKOSA-N 1 0 294.351 1.959 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000331408767 374950371 /nfs/dbraw/zinc/95/03/71/374950371.db2.gz QWYKQXNTIARGEE-GFCCVEGCSA-N 1 0 289.335 1.490 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(C3CC3)CCC2)c1 ZINC000391588917 374986368 /nfs/dbraw/zinc/98/63/68/374986368.db2.gz NQQQVLCVWCBTCM-ZDUSSCGKSA-N 1 0 294.355 1.322 20 5 CDBDRO CC[C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[NH+](C)C ZINC000332711809 375044494 /nfs/dbraw/zinc/04/44/94/375044494.db2.gz LKYTVEVSRVQGTM-ZDUSSCGKSA-N 1 0 292.339 1.215 20 5 CDBDRO NC(=O)NC1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283048511 375108931 /nfs/dbraw/zinc/10/89/31/375108931.db2.gz IVEDLHMOCKNOJA-UHFFFAOYSA-N 1 0 296.302 1.367 20 5 CDBDRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283005986 375109152 /nfs/dbraw/zinc/10/91/52/375109152.db2.gz FZXFQZMFHGSYLR-JQWIXIFHSA-N 1 0 295.314 1.868 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435236109 296225838 /nfs/dbraw/zinc/22/58/38/296225838.db2.gz HWJDRUGKQRTJIO-ZDUSSCGKSA-N 1 0 275.308 1.561 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000162414982 375347774 /nfs/dbraw/zinc/34/77/74/375347774.db2.gz INJPDAJDELVXKD-MNOVXSKESA-N 1 0 277.324 1.903 20 5 CDBDRO CN(CCc1ccc([N+](=O)[O-])cc1)[C@H](C[NH3+])C1CC1 ZINC000160035235 375410033 /nfs/dbraw/zinc/41/00/33/375410033.db2.gz RXHUBPWEZHVNDT-CQSZACIVSA-N 1 0 263.341 1.806 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132565016 375527185 /nfs/dbraw/zinc/52/71/85/375527185.db2.gz JZOLDWZVQCEUTB-VIFPVBQESA-N 1 0 281.287 1.463 20 5 CDBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1(CCO)CCOCC1 ZINC000352996403 375563114 /nfs/dbraw/zinc/56/31/14/375563114.db2.gz GTYMKQJIIYBRMQ-UHFFFAOYSA-N 1 0 294.351 1.958 20 5 CDBDRO C[C@@]1(F)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000347337701 375573155 /nfs/dbraw/zinc/57/31/55/375573155.db2.gz BFMHRIOPDPASFG-GFCCVEGCSA-N 1 0 269.276 1.190 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000132760300 375585446 /nfs/dbraw/zinc/58/54/46/375585446.db2.gz JTTHYLQESORCBY-ZJUUUORDSA-N 1 0 295.314 1.933 20 5 CDBDRO C[NH+](C)C[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000132916951 375635961 /nfs/dbraw/zinc/63/59/61/375635961.db2.gz WISCGFJLEMFYPJ-LBPRGKRZSA-N 1 0 287.747 1.973 20 5 CDBDRO CC[N@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1N)C(C)C ZINC000344933632 375664791 /nfs/dbraw/zinc/66/47/91/375664791.db2.gz HOGIMKNVFFHXEE-UHFFFAOYSA-N 1 0 294.355 1.637 20 5 CDBDRO CS[C@@H](CO)[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000228382010 375753648 /nfs/dbraw/zinc/75/36/48/375753648.db2.gz DMJQJVMWZMILMZ-GWCFXTLKSA-N 1 0 284.381 1.839 20 5 CDBDRO [NH3+]CC[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)C(F)(F)F ZINC000307830257 375803191 /nfs/dbraw/zinc/80/31/91/375803191.db2.gz ZISZBFOYQCZLIC-ZCFIWIBFSA-N 1 0 297.258 1.666 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@](C)(O)C[NH+](C)C ZINC000228669217 375793069 /nfs/dbraw/zinc/79/30/69/375793069.db2.gz YHQVHYSQYXLXPE-GFCCVEGCSA-N 1 0 268.317 1.023 20 5 CDBDRO CCCc1n[nH]c(C(=O)N2CCC[C@H]([NH2+]C)C2)c1[N+](=O)[O-] ZINC000133995579 375881133 /nfs/dbraw/zinc/88/11/33/375881133.db2.gz JGJGFUZBVUNMLN-VIFPVBQESA-N 1 0 295.343 1.094 20 5 CDBDRO C[NH+](C)CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000356872768 375866148 /nfs/dbraw/zinc/86/61/48/375866148.db2.gz JVPHHCUQAOUKTJ-UHFFFAOYSA-N 1 0 291.351 1.690 20 5 CDBDRO COC[C@H](CCO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000219134893 375954254 /nfs/dbraw/zinc/95/42/54/375954254.db2.gz JDDRZLJJRXKKKH-NSHDSACASA-N 1 0 254.286 1.082 20 5 CDBDRO C[NH+]1CCC(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000134222459 375938059 /nfs/dbraw/zinc/93/80/59/375938059.db2.gz IGRHTEUOVVOZKT-UHFFFAOYSA-N 1 0 295.314 1.806 20 5 CDBDRO Cc1c([C@H](C)[NH2+]C[C@H](O)[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000358047825 375949088 /nfs/dbraw/zinc/94/90/88/375949088.db2.gz OIUXYSXWXFPFTK-HUBLWGQQSA-N 1 0 294.351 1.951 20 5 CDBDRO C[N@H+]1CC=C(CNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347413908 376102000 /nfs/dbraw/zinc/10/20/00/376102000.db2.gz LKBBHYRNPOMZPJ-UHFFFAOYSA-N 1 0 299.334 1.634 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435236107 248159747 /nfs/dbraw/zinc/15/97/47/248159747.db2.gz HWJDRUGKQRTJIO-CYBMUJFWSA-N 1 0 275.308 1.561 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000441625550 249893082 /nfs/dbraw/zinc/89/30/82/249893082.db2.gz YTHJDRINOHIKAQ-SSDOTTSWSA-N 1 0 255.249 1.059 20 5 CDBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)NC ZINC000449779601 251016340 /nfs/dbraw/zinc/01/63/40/251016340.db2.gz UFQZOPROEMBXPW-JQWIXIFHSA-N 1 0 279.340 1.640 20 5 CDBDRO COC[C@@](C)([NH3+])CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450334735 251230030 /nfs/dbraw/zinc/23/00/30/251230030.db2.gz UNCQUFPPMLJZKB-AWEZNQCLSA-N 1 0 290.323 1.919 20 5 CDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000382453987 412954585 /nfs/dbraw/zinc/95/45/85/412954585.db2.gz HQVUVLWQJKDLRX-VXGBXAGGSA-N 1 0 277.324 1.381 20 5 CDBDRO CO[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000453157834 252278284 /nfs/dbraw/zinc/27/82/84/252278284.db2.gz HKIJBMRNCGBDDI-NWDGAFQWSA-N 1 0 280.328 1.339 20 5 CDBDRO C[C@H]1C[N@H+](C)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000491574835 253091591 /nfs/dbraw/zinc/09/15/91/253091591.db2.gz FVQKLXITIWQMJN-ZCRIDZFUSA-N 1 0 289.335 1.771 20 5 CDBDRO CNC(=O)[C@H](C)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000492482098 253229596 /nfs/dbraw/zinc/22/95/96/253229596.db2.gz FZPOCIVGFGANAD-HUYFXPKMSA-N 1 0 277.324 1.722 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000493916903 253583698 /nfs/dbraw/zinc/58/36/98/253583698.db2.gz NSZNNKGQVRKTBQ-BDAKNGLRSA-N 1 0 281.312 1.203 20 5 CDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCO)n1 ZINC000331028026 285169644 /nfs/dbraw/zinc/16/96/44/285169644.db2.gz XNRNFTSFFGZQBX-MNOVXSKESA-N 1 0 268.317 1.247 20 5 CDBDRO C[C@H]([NH3+])[C@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000163233468 390178946 /nfs/dbraw/zinc/17/89/46/390178946.db2.gz KRLDFLWPOBXKJD-UWVGGRQHSA-N 1 0 267.304 1.903 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000163378136 390232533 /nfs/dbraw/zinc/23/25/33/390232533.db2.gz CCMDIJDIUXPFFM-KOLCDFICSA-N 1 0 263.297 1.404 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000320598590 390474323 /nfs/dbraw/zinc/47/43/23/390474323.db2.gz WWQLMFIDDNFJQR-DTWKUNHWSA-N 1 0 251.286 1.450 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(CCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000451638105 390637845 /nfs/dbraw/zinc/63/78/45/390637845.db2.gz YYHOXRNZCNOKJA-HIFRSBDPSA-N 1 0 275.352 1.773 20 5 CDBDRO CCN1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1=O ZINC000391508591 390612110 /nfs/dbraw/zinc/61/21/10/390612110.db2.gz MSIFCOVUZSHRBP-NSHDSACASA-N 1 0 263.297 1.305 20 5 CDBDRO [NH3+][C@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000050244281 390827224 /nfs/dbraw/zinc/82/72/24/390827224.db2.gz GTFXZUKFJRQKBL-VIFPVBQESA-N 1 0 258.281 1.680 20 5 CDBDRO CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1(C[NH3+])CCC1 ZINC000395402280 390883472 /nfs/dbraw/zinc/88/34/72/390883472.db2.gz SOGCJMYQSAMERQ-YVMONPNESA-N 1 0 289.335 1.948 20 5 CDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000411266822 390966241 /nfs/dbraw/zinc/96/62/41/390966241.db2.gz BBOKDRDFGVVQMK-CYBMUJFWSA-N 1 0 293.323 1.644 20 5 CDBDRO COC(=O)[C@@]1(C)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000412074926 391111370 /nfs/dbraw/zinc/11/13/70/391111370.db2.gz RLLNZSZAKURIOW-ZDUSSCGKSA-N 1 0 296.327 1.066 20 5 CDBDRO CC1(O)CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000177336935 391168717 /nfs/dbraw/zinc/16/87/17/391168717.db2.gz RSTSPLRLBHASHB-UHFFFAOYSA-N 1 0 280.324 1.820 20 5 CDBDRO CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000518736679 391219095 /nfs/dbraw/zinc/21/90/95/391219095.db2.gz YUKQABMWDIZFDA-UHFFFAOYSA-N 1 0 280.328 1.147 20 5 CDBDRO CC[N@H+](C)C[C@H](O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000519834209 391226104 /nfs/dbraw/zinc/22/61/04/391226104.db2.gz IZICHZUEUWAZPW-JTQLQIEISA-N 1 0 284.312 1.295 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000416287495 391251938 /nfs/dbraw/zinc/25/19/38/391251938.db2.gz DOZPZFQHCMSSPX-UHFFFAOYSA-N 1 0 263.297 1.419 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000520372657 391272980 /nfs/dbraw/zinc/27/29/80/391272980.db2.gz CHWPCUQNHKPWNF-LBPRGKRZSA-N 1 0 280.328 1.003 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000415378182 391377007 /nfs/dbraw/zinc/37/70/07/391377007.db2.gz BYSSDWNFLGZNEI-VHSXEESVSA-N 1 0 293.327 1.051 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000415494127 391467522 /nfs/dbraw/zinc/46/75/22/391467522.db2.gz DTQHKFVCDUDGAV-SECBINFHSA-N 1 0 294.311 1.429 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1C[NH2+]CCC1(F)F ZINC000415009378 391714828 /nfs/dbraw/zinc/71/48/28/391714828.db2.gz XFDCKZJPKVIBQS-GFCCVEGCSA-N 1 0 285.294 1.990 20 5 CDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1ncc([N+](=O)[O-])s1 ZINC000190333799 130091031 /nfs/dbraw/zinc/09/10/31/130091031.db2.gz WYGVPARGQQQKDT-IUCAKERBSA-N 1 0 270.358 1.828 20 5 CDBDRO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000191724383 130287627 /nfs/dbraw/zinc/28/76/27/130287627.db2.gz RBDZWIOATITVRA-PWSUYJOCSA-N 1 0 250.298 1.655 20 5 CDBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000458168300 391847672 /nfs/dbraw/zinc/84/76/72/391847672.db2.gz DSYWUABNMKAFGT-SNVBAGLBSA-N 1 0 280.328 1.385 20 5 CDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH3+] ZINC000237540548 131039910 /nfs/dbraw/zinc/03/99/10/131039910.db2.gz VEPZMTBYQVJXFE-QMMMGPOBSA-N 1 0 269.326 1.150 20 5 CDBDRO C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000237602594 131046072 /nfs/dbraw/zinc/04/60/72/131046072.db2.gz OGSYFCLPSJABMS-QWRGUYRKSA-N 1 0 293.323 1.182 20 5 CDBDRO Cc1sc(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000237640019 131049736 /nfs/dbraw/zinc/04/97/36/131049736.db2.gz CITPOSUKBVYRIR-JGVFFNPUSA-N 1 0 283.353 1.787 20 5 CDBDRO Cc1sc(C(=O)N2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000237695726 131053220 /nfs/dbraw/zinc/05/32/20/131053220.db2.gz XDMZKCGWHCNKDC-UHFFFAOYSA-N 1 0 269.326 1.528 20 5 CDBDRO [NH3+]C[C@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000237855692 131061231 /nfs/dbraw/zinc/06/12/31/131061231.db2.gz DNMAACNNUYWEJR-LLVKDONJSA-N 1 0 293.323 1.171 20 5 CDBDRO [NH3+][C@@H]1CC[C@H](C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000237996242 131072055 /nfs/dbraw/zinc/07/20/55/131072055.db2.gz YUIFVQSBFFIQCH-NWDGAFQWSA-N 1 0 277.324 1.381 20 5 CDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000252406981 131133912 /nfs/dbraw/zinc/13/39/12/131133912.db2.gz HAKPNUJEFQSPBU-JZYVYDRUSA-N 1 0 281.699 1.196 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261689123 131162161 /nfs/dbraw/zinc/16/21/61/131162161.db2.gz HLXQDCJESWFDQO-NWDGAFQWSA-N 1 0 275.308 1.276 20 5 CDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000262856835 131268314 /nfs/dbraw/zinc/26/83/14/131268314.db2.gz SYSRUJKZCQGUJE-CABZTGNLSA-N 1 0 263.297 1.323 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000262969196 131276992 /nfs/dbraw/zinc/27/69/92/131276992.db2.gz XJBFBAXXWJPCEK-GHMZBOCLSA-N 1 0 293.323 1.230 20 5 CDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000524721025 392919146 /nfs/dbraw/zinc/91/91/46/392919146.db2.gz ZIMBJJHYLYPATA-JTQLQIEISA-N 1 0 280.328 1.005 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000420239984 392912233 /nfs/dbraw/zinc/91/22/33/392912233.db2.gz PSVLBVCVIUMQNR-DTWKUNHWSA-N 1 0 294.311 1.458 20 5 CDBDRO Cc1ccc([C@@H](C)NC(=O)N(C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000417851215 392874410 /nfs/dbraw/zinc/87/44/10/392874410.db2.gz NFNNTLXNTZIAHL-WDEREUQCSA-N 1 0 294.355 1.953 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000522167365 392874421 /nfs/dbraw/zinc/87/44/21/392874421.db2.gz COTBOZCWUSLVHC-LLVKDONJSA-N 1 0 294.355 1.393 20 5 CDBDRO COCCCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000522776110 392880708 /nfs/dbraw/zinc/88/07/08/392880708.db2.gz GPFFVAHMLBWECG-UHFFFAOYSA-N 1 0 294.355 1.538 20 5 CDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000421699685 392942488 /nfs/dbraw/zinc/94/24/88/392942488.db2.gz BURPHUWPUGAKPM-VIFPVBQESA-N 1 0 283.353 1.823 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)[C@H]1CCOC1 ZINC000449162960 393131943 /nfs/dbraw/zinc/13/19/43/393131943.db2.gz UKVAXJUIEKZDBA-ZLDLUXBVSA-N 1 0 294.351 1.513 20 5 CDBDRO Cc1sc(C(=O)N[C@@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000449591471 393135533 /nfs/dbraw/zinc/13/55/33/393135533.db2.gz QNMIJOVSGQUUTG-WDSKDSINSA-N 1 0 257.315 1.430 20 5 CDBDRO COc1cccc(N2CC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000135050719 139883850 /nfs/dbraw/zinc/88/38/50/139883850.db2.gz DLMAPAQHOLQGGU-SECBINFHSA-N 1 0 251.286 1.388 20 5 CDBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H](C[NH3+])C1CC1 ZINC000159793610 139905123 /nfs/dbraw/zinc/90/51/23/139905123.db2.gz QMTNQOGIRHULTO-ZDUSSCGKSA-N 1 0 277.324 1.333 20 5 CDBDRO Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000163603636 139919016 /nfs/dbraw/zinc/91/90/16/139919016.db2.gz KNRIXPWKHVNEQD-MFKMUULPSA-N 1 0 291.351 1.960 20 5 CDBDRO Cc1c(CNC(=O)C(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC000231857069 140219850 /nfs/dbraw/zinc/21/98/50/140219850.db2.gz HWBRUCICMYABST-UHFFFAOYSA-N 1 0 251.286 1.257 20 5 CDBDRO C[C@H]([NH3+])CCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000235474299 140236156 /nfs/dbraw/zinc/23/61/56/140236156.db2.gz UENHWTRLGZZGPA-ZETCQYMHSA-N 1 0 253.258 1.366 20 5 CDBDRO [NH3+]C[C@@H](Nc1ncccc1[N+](=O)[O-])C1CCCC1 ZINC000236189721 140239422 /nfs/dbraw/zinc/23/94/22/140239422.db2.gz WWIZCODHMLSHNH-SNVBAGLBSA-N 1 0 250.302 1.919 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000261574361 140351953 /nfs/dbraw/zinc/35/19/53/140351953.db2.gz AZVBKBMFLMRJLN-ZJUUUORDSA-N 1 0 267.304 1.903 20 5 CDBDRO C[NH2+][C@H](C)Cc1noc(-c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000261722476 140380190 /nfs/dbraw/zinc/38/01/90/140380190.db2.gz JQGQAZQBOVWBOM-SSDOTTSWSA-N 1 0 280.259 1.934 20 5 CDBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C(C)C ZINC000102481529 147153079 /nfs/dbraw/zinc/15/30/79/147153079.db2.gz PIJFKUGSKIRHCY-UHFFFAOYSA-N 1 0 296.327 1.156 20 5 CDBDRO Cc1cc(F)cc(C(=O)NCC[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000178692652 148075217 /nfs/dbraw/zinc/07/52/17/148075217.db2.gz FPFKKYPREXZJGW-QMMMGPOBSA-N 1 0 269.276 1.509 20 5 CDBDRO CC1(NC(=O)c2cc([N+](=O)[O-])ccc2N)CC[NH2+]CC1 ZINC000262420119 149061258 /nfs/dbraw/zinc/06/12/58/149061258.db2.gz RRTLGCUWJLLJRL-UHFFFAOYSA-N 1 0 278.312 1.049 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000346128777 153062994 /nfs/dbraw/zinc/06/29/94/153062994.db2.gz DYERTSLEAZLBGA-LLVKDONJSA-N 1 0 279.340 1.594 20 5 CDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000359210794 158164116 /nfs/dbraw/zinc/16/41/16/158164116.db2.gz BSAVBKYDMMDHCQ-ZDUSSCGKSA-N 1 0 291.351 1.738 20 5 CDBDRO C[C@H](C[NH3+])N(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000237633908 289543538 /nfs/dbraw/zinc/54/35/38/289543538.db2.gz XSWCYIWUHCYVET-SSDOTTSWSA-N 1 0 271.704 1.667 20 5 CDBDRO COc1ccc(OCC[N@@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000374123428 160256202 /nfs/dbraw/zinc/25/62/02/160256202.db2.gz TWSXMLIIDMGZNH-UHFFFAOYSA-N 1 0 296.323 1.705 20 5 CDBDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284897652 196152367 /nfs/dbraw/zinc/15/23/67/196152367.db2.gz CBTMLSOGBYYJHF-HOSYDEDBSA-N 1 0 279.340 1.989 20 5 CDBDRO C[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)NCCF ZINC000285089528 196194098 /nfs/dbraw/zinc/19/40/98/196194098.db2.gz JYEBFPJKSPGDEV-IUCAKERBSA-N 1 0 298.318 1.302 20 5 CDBDRO CC(C)(C)[C@H]([NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676222 174373652 /nfs/dbraw/zinc/37/36/52/174373652.db2.gz FZQNBBSUUNYKOE-GFCCVEGCSA-N 1 0 279.340 1.627 20 5 CDBDRO CCN(C)C(=O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040676062 174373676 /nfs/dbraw/zinc/37/36/76/174373676.db2.gz OFPYVAIKQGGAMX-UHFFFAOYSA-N 1 0 265.313 1.205 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000041028397 174453392 /nfs/dbraw/zinc/45/33/92/174453392.db2.gz MFXDACPKZSUQQN-GUOLPTJISA-N 1 0 275.308 1.558 20 5 CDBDRO [NH3+][C@H]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000041028555 174453649 /nfs/dbraw/zinc/45/36/49/174453649.db2.gz PANOHOGHQQOEEG-ZCRIDZFUSA-N 1 0 275.308 1.558 20 5 CDBDRO [NH3+]C[C@H]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000044528624 175193194 /nfs/dbraw/zinc/19/31/94/175193194.db2.gz GKQSWJYMNIYQIV-OQHXTRMZSA-N 1 0 289.335 1.805 20 5 CDBDRO CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000071314008 176120696 /nfs/dbraw/zinc/12/06/96/176120696.db2.gz DCAHLAGMOPECNG-GFCCVEGCSA-N 1 0 279.340 1.787 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000071397145 176150977 /nfs/dbraw/zinc/15/09/77/176150977.db2.gz BUDXARWVJLFNQI-VIFPVBQESA-N 1 0 283.715 1.730 20 5 CDBDRO CC[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075747700 176773775 /nfs/dbraw/zinc/77/37/75/176773775.db2.gz FKNWMUAMVGUMCR-JSGCOSHPSA-N 1 0 296.371 1.664 20 5 CDBDRO CNc1ccc(C(=O)NCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000049933511 424460721 /nfs/dbraw/zinc/46/07/21/424460721.db2.gz FWHLHMCNYGPHSK-UHFFFAOYSA-N 1 0 292.339 1.462 20 5 CDBDRO COc1cc(C[NH2+][C@H]2C[C@H](O)C2(C)C)c([N+](=O)[O-])cc1O ZINC000189338874 270276674 /nfs/dbraw/zinc/27/66/74/270276674.db2.gz DIWSEUCUDKLDRU-STQMWFEESA-N 1 0 296.323 1.558 20 5 CDBDRO C[C@H](CC[NH+](C)C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000524337737 270598816 /nfs/dbraw/zinc/59/88/16/270598816.db2.gz XWSWRTYKVVDWLV-LLVKDONJSA-N 1 0 294.355 1.734 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000127369980 274118423 /nfs/dbraw/zinc/11/84/23/274118423.db2.gz BLSLNFAHPTVTMF-UWVGGRQHSA-N 1 0 265.313 1.777 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000063192919 274240078 /nfs/dbraw/zinc/24/00/78/274240078.db2.gz FEPJIHBSDLHYFP-LDYMZIIASA-N 1 0 266.301 1.265 20 5 CDBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000105790516 274271280 /nfs/dbraw/zinc/27/12/80/274271280.db2.gz WQVXUKHIDFMIPT-GHMZBOCLSA-N 1 0 297.330 1.625 20 5 CDBDRO C[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000261585657 274371464 /nfs/dbraw/zinc/37/14/64/274371464.db2.gz IMQUAVRWZXUAEB-SSDOTTSWSA-N 1 0 279.325 1.398 20 5 CDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000089107387 274948282 /nfs/dbraw/zinc/94/82/82/274948282.db2.gz KDXQUQCOCLLBFC-WCQYABFASA-N 1 0 277.324 1.842 20 5 CDBDRO O=[N+]([O-])c1cnc(N2C[C@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000227649871 275041245 /nfs/dbraw/zinc/04/12/45/275041245.db2.gz GQQRBLOAVNAFOR-OCAPTIKFSA-N 1 0 268.704 1.299 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000262340388 276270392 /nfs/dbraw/zinc/27/03/92/276270392.db2.gz GXROFNOURLLHGM-SECBINFHSA-N 1 0 283.303 1.770 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CCN(c3ncc([N+](=O)[O-])s3)[C@@H]2C1 ZINC000192524858 277147731 /nfs/dbraw/zinc/14/77/31/277147731.db2.gz RKPYPBKRCVOAKY-RKDXNWHRSA-N 1 0 268.342 1.582 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000422708849 277296244 /nfs/dbraw/zinc/29/62/44/277296244.db2.gz JQBLEZDGFDHYLJ-GFCCVEGCSA-N 1 0 291.351 1.954 20 5 CDBDRO COC(=O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177231 277319411 /nfs/dbraw/zinc/31/94/11/277319411.db2.gz PAWMCNMINVVHGB-VIFPVBQESA-N 1 0 252.270 1.809 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[S@@](C)=O ZINC000449160012 279381843 /nfs/dbraw/zinc/38/18/43/279381843.db2.gz KGBHXUXYDYRTMY-NSPYISDASA-N 1 0 284.381 1.884 20 5 CDBDRO C[C@H]1[C@@H]([NH3+])CCN1c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000261726000 280100159 /nfs/dbraw/zinc/10/01/59/280100159.db2.gz KQHZWMXNRLTQPN-BQBZGAKWSA-N 1 0 290.245 1.935 20 5 CDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]C1 ZINC000237724549 280185929 /nfs/dbraw/zinc/18/59/29/280185929.db2.gz RLRUNHYEEWPJOT-FVOPLDGLSA-N 1 0 293.298 1.615 20 5 CDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373061498 280213754 /nfs/dbraw/zinc/21/37/54/280213754.db2.gz ZNRKYKYKVPYJLL-ZYHUDNBSSA-N 1 0 275.308 1.419 20 5 CDBDRO Cc1cc(C(=O)N(C)[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000135228569 280320753 /nfs/dbraw/zinc/32/07/53/280320753.db2.gz ATBHVRMOTGRSJH-NSHDSACASA-N 1 0 263.297 1.337 20 5 CDBDRO C[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000248940414 280396054 /nfs/dbraw/zinc/39/60/54/280396054.db2.gz NYGPFWHICODVBC-GHMZBOCLSA-N 1 0 268.313 1.158 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccco1 ZINC000556611328 290275000 /nfs/dbraw/zinc/27/50/00/290275000.db2.gz ZTRPMYBMVRNIFN-NSHDSACASA-N 1 0 292.291 1.717 20 5 CDBDRO CC[NH2+]CCCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000557006653 290322474 /nfs/dbraw/zinc/32/24/74/290322474.db2.gz PGKUWGVRXNCBLT-UHFFFAOYSA-N 1 0 284.291 1.855 20 5 CDBDRO C[C@@H]1CC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000562488171 290531881 /nfs/dbraw/zinc/53/18/81/290531881.db2.gz OTNPTFFCRBKHBL-MFKMUULPSA-N 1 0 298.364 1.757 20 5 CDBDRO CC(C)Oc1nc(NC[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000564471275 293363324 /nfs/dbraw/zinc/36/33/24/293363324.db2.gz VUMYEVNECPRSJH-LLVKDONJSA-N 1 0 294.355 1.705 20 5 CDBDRO CC[C@@H](COC)[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000568883758 294120162 /nfs/dbraw/zinc/12/01/62/294120162.db2.gz SVANKCWYYCLUQS-JTQLQIEISA-N 1 0 284.312 1.824 20 5 CDBDRO CC[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])OC ZINC000573835340 294896415 /nfs/dbraw/zinc/89/64/15/294896415.db2.gz YEQJLWKHFMFFEP-NSHDSACASA-N 1 0 295.339 1.938 20 5 CDBDRO CC[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])OC ZINC000573835339 294896421 /nfs/dbraw/zinc/89/64/21/294896421.db2.gz YEQJLWKHFMFFEP-LLVKDONJSA-N 1 0 295.339 1.938 20 5 CDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000574216376 294966666 /nfs/dbraw/zinc/96/66/66/294966666.db2.gz LEIUDQPZMWFYRC-LLVKDONJSA-N 1 0 294.355 1.490 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCC[C@H]1F ZINC000574750591 295048155 /nfs/dbraw/zinc/04/81/55/295048155.db2.gz ZBXSISHQJAUSOK-TUAOUCFPSA-N 1 0 298.314 1.815 20 5 CDBDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000150757957 295306672 /nfs/dbraw/zinc/30/66/72/295306672.db2.gz BRYXBMBURQIYLD-WDEREUQCSA-N 1 0 292.339 1.250 20 5 CDBDRO COc1cccc(C(=O)N[C@H](C[NH3+])C(C)(C)C)c1[N+](=O)[O-] ZINC000563805045 316372423 /nfs/dbraw/zinc/37/24/23/316372423.db2.gz OLQKFVQTFADODH-LLVKDONJSA-N 1 0 295.339 1.707 20 5 CDBDRO O=c1c(Cl)cc([N+](=O)[O-])cn1CC[C@@H]1CCC[NH2+]C1 ZINC000576462309 317142587 /nfs/dbraw/zinc/14/25/87/317142587.db2.gz VQKIYDWUEJCHDD-VIFPVBQESA-N 1 0 285.731 1.800 20 5 CDBDRO C[C@H](C[S@@](C)=O)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000185122216 323383194 /nfs/dbraw/zinc/38/31/94/323383194.db2.gz KSGJAMAUXNEQMV-NSPYISDASA-N 1 0 284.381 1.836 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000578865052 324042038 /nfs/dbraw/zinc/04/20/38/324042038.db2.gz BIJGBFIWXDOODX-JTQLQIEISA-N 1 0 293.323 1.285 20 5 CDBDRO C[N@@H+]1CC[C@@](O)(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000579494191 324206992 /nfs/dbraw/zinc/20/69/92/324206992.db2.gz GPACXNCDOVQPQY-DZGCQCFKSA-N 1 0 291.351 1.238 20 5 CDBDRO C[NH2+][C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000580171965 324387274 /nfs/dbraw/zinc/38/72/74/324387274.db2.gz LNJGGVVPOHGIBB-LLVKDONJSA-N 1 0 278.312 1.098 20 5 CDBDRO Cc1nc(N2CC[C@H](C)[C@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000581062686 324638650 /nfs/dbraw/zinc/63/86/50/324638650.db2.gz LDWYISLIOZOOFT-WCBMZHEXSA-N 1 0 265.317 1.114 20 5 CDBDRO COc1cc(CN[C@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000582965641 325080066 /nfs/dbraw/zinc/08/00/66/325080066.db2.gz UGARTLALVHCYDT-NXEZZACHSA-N 1 0 297.355 1.827 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2ccc(N[C@H]3C[NH2+]CC[C@H]3F)nc21 ZINC001157450295 1162091369 /nfs/dbraw/zinc/09/13/69/1162091369.db2.gz PPQJRGVJSCBNCR-APPZFPTMSA-N 1 0 279.275 1.583 20 5 CDBDRO COC[C@@H](O)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000338479875 522417462 /nfs/dbraw/zinc/41/74/62/522417462.db2.gz YNXZAHNUPRSIPL-KGBIHWOQSA-N 1 0 280.324 1.595 20 5 CDBDRO C[C@H]1CCC[C@@H](CO)[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000181383924 524140826 /nfs/dbraw/zinc/14/08/26/524140826.db2.gz LOHWALSBRKXTRD-CQDKDKBSSA-N 1 0 294.351 1.864 20 5 CDBDRO C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000235325110 524831303 /nfs/dbraw/zinc/83/13/03/524831303.db2.gz IRLKJRBNKGPIKP-LDYMZIIASA-N 1 0 264.285 1.406 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000158039691 525455208 /nfs/dbraw/zinc/45/52/08/525455208.db2.gz RKRTUVIXNHGTIM-JOYOIKCWSA-N 1 0 293.323 1.461 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[NH2+]C1 ZINC000052813038 525576713 /nfs/dbraw/zinc/57/67/13/525576713.db2.gz IHAKOYFBJMSNDH-JTQLQIEISA-N 1 0 250.302 1.710 20 5 CDBDRO O=C1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CN1 ZINC000111021100 526991532 /nfs/dbraw/zinc/99/15/32/526991532.db2.gz CFKBMLOOBKJPDJ-SECBINFHSA-N 1 0 283.715 1.616 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373879087 527313287 /nfs/dbraw/zinc/31/32/87/527313287.db2.gz BCEUTSBRIWQXAZ-ZWNOBZJWSA-N 1 0 290.323 1.122 20 5 CDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424098044 535093631 /nfs/dbraw/zinc/09/36/31/535093631.db2.gz BPLSUTJFUGKFQI-OLZOCXBDSA-N 1 0 277.324 1.679 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261596499 535969176 /nfs/dbraw/zinc/96/91/76/535969176.db2.gz ORCIDYHNZCLQQY-WCBMZHEXSA-N 1 0 267.333 1.293 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000261760848 535969420 /nfs/dbraw/zinc/96/94/20/535969420.db2.gz NRJHYBMIRKFJLC-MWLCHTKSSA-N 1 0 281.360 1.541 20 5 CDBDRO CCc1nn(C)c(NC[C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420294287 536182160 /nfs/dbraw/zinc/18/21/60/536182160.db2.gz YWNWSVPLIBTEOD-UWVGGRQHSA-N 1 0 281.360 1.820 20 5 CDBDRO COC(=O)c1cc(NCCCC[NH3+])cc(C)c1[N+](=O)[O-] ZINC000420227829 536566289 /nfs/dbraw/zinc/56/62/89/536566289.db2.gz DGHAEBDSXUVTSX-UHFFFAOYSA-N 1 0 281.312 1.841 20 5 CDBDRO C[NH+]1CCC(ONC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000773549010 575823841 /nfs/dbraw/zinc/82/38/41/575823841.db2.gz GKAZLCAUSDNTOH-UHFFFAOYSA-N 1 0 293.323 1.279 20 5 CDBDRO C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000742234630 576590549 /nfs/dbraw/zinc/59/05/49/576590549.db2.gz GAYHDNYXGIOBER-VVEJJEBESA-N 1 0 289.335 1.771 20 5 CDBDRO C[NH2+]C(C)(C)CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000826073353 607838060 /nfs/dbraw/zinc/83/80/60/607838060.db2.gz PDBXLFMGIZSTIV-UHFFFAOYSA-N 1 0 291.315 1.185 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC[C@H](c1ccco1)[NH+](C)C ZINC000891484142 617436075 /nfs/dbraw/zinc/43/60/75/617436075.db2.gz CAIQSMHHPXKBPB-SECBINFHSA-N 1 0 279.300 1.636 20 5 CDBDRO CC(C)[C@@H](CNc1c([N+](=O)[O-])cnn1C)[NH+]1CCCC1 ZINC000891680727 617535850 /nfs/dbraw/zinc/53/58/50/617535850.db2.gz JZKIWQLVDNPMKU-LLVKDONJSA-N 1 0 281.360 1.861 20 5 CDBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000892648290 617559719 /nfs/dbraw/zinc/55/97/19/617559719.db2.gz HTQXASYHETVGDJ-SNVBAGLBSA-N 1 0 296.323 1.825 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000892286326 617694646 /nfs/dbraw/zinc/69/46/46/617694646.db2.gz IXMDAUVAMUFUDH-LLVKDONJSA-N 1 0 292.339 1.673 20 5 CDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1c([N+](=O)[O-])cnn1C ZINC000893828437 618080116 /nfs/dbraw/zinc/08/01/16/618080116.db2.gz LKWIBUAICCQWBS-GHMZBOCLSA-N 1 0 279.344 1.391 20 5 CDBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000894846651 619095774 /nfs/dbraw/zinc/09/57/74/619095774.db2.gz UAAOTIFJXSQPOO-PHIMTYICSA-N 1 0 296.323 1.966 20 5 CDBDRO CCC[C@@H]1CN(c2ncc(C)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000895058450 619242974 /nfs/dbraw/zinc/24/29/74/619242974.db2.gz LNVCFIAAPOIVGM-LLVKDONJSA-N 1 0 264.329 1.877 20 5 CDBDRO CO[C@]1(C)CCCN(Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000794653152 619428838 /nfs/dbraw/zinc/42/88/38/619428838.db2.gz CCOXDINXDNXCQW-GFCCVEGCSA-N 1 0 268.317 1.558 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c1 ZINC000895245344 619486875 /nfs/dbraw/zinc/48/68/75/619486875.db2.gz FTPRLVFXACJEAC-IUODEOHRSA-N 1 0 292.383 1.949 20 5 CDBDRO C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895246762 619491635 /nfs/dbraw/zinc/49/16/35/619491635.db2.gz BZDWFNAXYQHHOD-QMTHXVAHSA-N 1 0 296.346 1.780 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000905117043 626628535 /nfs/dbraw/zinc/62/85/35/626628535.db2.gz LTWWOQIUDPTPSK-AWEZNQCLSA-N 1 0 263.341 1.517 20 5 CDBDRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]CC[N+](=O)[O-] ZINC000905146938 626658301 /nfs/dbraw/zinc/65/83/01/626658301.db2.gz UBOFGUMTTHDEAK-UHFFFAOYSA-N 1 0 261.322 1.156 20 5 CDBDRO COc1cc(OCC[NH+](C)C)ccc1NCC[N+](=O)[O-] ZINC000905340984 626775224 /nfs/dbraw/zinc/77/52/24/626775224.db2.gz YDUQPNXBELIZFZ-UHFFFAOYSA-N 1 0 283.328 1.324 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCO[C@H]2CCOC2)cc1 ZINC000905610741 626894478 /nfs/dbraw/zinc/89/44/78/626894478.db2.gz VXWPLLDAAIIVBA-UONOGXRCSA-N 1 0 296.323 1.023 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](C)([NH3+])C1 ZINC000906636310 627351475 /nfs/dbraw/zinc/35/14/75/627351475.db2.gz SVUIYCWYUXRBTN-CYBMUJFWSA-N 1 0 295.364 1.880 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH3+])CC1 ZINC000911619585 629367112 /nfs/dbraw/zinc/36/71/12/629367112.db2.gz LXPUOAVSYOCYNA-UHFFFAOYSA-N 1 0 295.364 1.880 20 5 CDBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[NH2+]CC1 ZINC000841102684 630624801 /nfs/dbraw/zinc/62/48/01/630624801.db2.gz IOTQFCCXBHROGQ-UHFFFAOYSA-N 1 0 284.703 1.685 20 5 CDBDRO O=[N+]([O-])c1ccnn1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000151960313 630819647 /nfs/dbraw/zinc/81/96/47/630819647.db2.gz KMTKXGQRTNTCFY-ZDUSSCGKSA-N 1 0 293.371 1.699 20 5 CDBDRO CC[C@@H](CO)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000915875426 631849079 /nfs/dbraw/zinc/84/90/79/631849079.db2.gz JKSYYKXNRAUDSY-ZJUUUORDSA-N 1 0 281.312 1.282 20 5 CDBDRO C[NH+]1CC(CNc2ccc3c([N+](=O)[O-])c[nH]c3n2)C1 ZINC001170253287 1162325839 /nfs/dbraw/zinc/32/58/39/1162325839.db2.gz XHDHOURCUBIYQN-UHFFFAOYSA-N 1 0 261.285 1.445 20 5 CDBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC001170335707 1162339004 /nfs/dbraw/zinc/33/90/04/1162339004.db2.gz QMDZUWJQSYVCOT-ABAIWWIYSA-N 1 0 294.351 1.991 20 5 CDBDRO C[C@@H]1[C@H]([NH3+])CCCN1c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001157740300 1162371605 /nfs/dbraw/zinc/37/16/05/1162371605.db2.gz HBEJZFPFOSPERM-RKDXNWHRSA-N 1 0 275.312 1.787 20 5 CDBDRO Cc1ccnc(N(C(C)C)[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC001158020647 1162682526 /nfs/dbraw/zinc/68/25/26/1162682526.db2.gz BCVXXHIYNFLKGC-LLVKDONJSA-N 1 0 264.329 1.875 20 5 CDBDRO C[C@H]([NH3+])c1ccn(-c2ncc([N+](=O)[O-])cc2F)n1 ZINC001158348642 1162892146 /nfs/dbraw/zinc/89/21/46/1162892146.db2.gz JGOXXOXGEHZAHL-LURJTMIESA-N 1 0 251.221 1.334 20 5 CDBDRO Cc1nccn1CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967481 1161996130 /nfs/dbraw/zinc/99/61/30/1161996130.db2.gz PXOPHVBJYAADTL-NEPJUHHUSA-N 1 0 252.318 1.227 20 5 CDBDRO O=[N+]([O-])c1ccc2c(ccnc2N2C[C@@H]3C[NH2+][C@@H]3C2)c1 ZINC001157626337 1162243332 /nfs/dbraw/zinc/24/33/32/1162243332.db2.gz VQMOWGHICKFEQB-GXFFZTMASA-N 1 0 270.292 1.551 20 5 CDBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC[NH2+]C4(CC4)C3)nc21 ZINC001158936962 1163846378 /nfs/dbraw/zinc/84/63/78/1163846378.db2.gz YLXRQOFZUKCLLN-UHFFFAOYSA-N 1 0 273.296 1.413 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[NH+](C)C ZINC000047846438 1166417209 /nfs/dbraw/zinc/41/72/09/1166417209.db2.gz NRNWJBRSMQYVST-SECBINFHSA-N 1 0 280.328 1.316 20 5 CDBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001155502767 1167200597 /nfs/dbraw/zinc/20/05/97/1167200597.db2.gz LWVLGJSNZYIVEN-IWSPIJDZSA-N 1 0 284.703 1.042 20 5 CDBDRO [NH3+]CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001574278322 1170938378 /nfs/dbraw/zinc/93/83/78/1170938378.db2.gz UKELPFZPNZXELK-UHFFFAOYSA-N 1 0 258.665 1.328 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)C(=O)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001576087441 1171329746 /nfs/dbraw/zinc/32/97/46/1171329746.db2.gz AMVUWIYZHSKABO-YUMQZZPRSA-N 1 0 281.287 1.606 20 5 CDBDRO CN(C[C@@H]1CC[NH2+]1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001578456816 1171921386 /nfs/dbraw/zinc/92/13/86/1171921386.db2.gz SNVKTJHUFPAZMZ-VIFPVBQESA-N 1 0 288.307 1.510 20 5 CDBDRO COc1cc(CN2CC[NH2+][C@H]3C[C@H]32)c([N+](=O)[O-])cc1F ZINC001579149150 1172107045 /nfs/dbraw/zinc/10/70/45/1172107045.db2.gz OOGFFANPNNWNLU-CMPLNLGQSA-N 1 0 281.287 1.289 20 5 CDBDRO C[C@H](NC(=O)[C@@]1(C)CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001579480503 1172194632 /nfs/dbraw/zinc/19/46/32/1172194632.db2.gz UFOYPLKOUUGOMV-HZMBPMFUSA-N 1 0 277.324 1.772 20 5 CDBDRO [NH3+]C[C@]12CN(c3ncc([N+](=O)[O-])cn3)C[C@H]1CCCC2 ZINC001580256478 1172387708 /nfs/dbraw/zinc/38/77/08/1172387708.db2.gz VGSQEPTYKXKJTB-ZWNOBZJWSA-N 1 0 277.328 1.340 20 5 CDBDRO O=[N+]([O-])CCN[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC001580873419 1172557002 /nfs/dbraw/zinc/55/70/02/1172557002.db2.gz UYGGLODJPDYHMS-CHWSQXEVSA-N 1 0 267.304 1.138 20 5 CDBDRO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000159769596 1178249514 /nfs/dbraw/zinc/24/95/14/1178249514.db2.gz OKPRSQVCSLWJHD-ZYHUDNBSSA-N 1 0 293.323 1.527 20 5 CDBDRO O=[N+]([O-])c1ccc(Cn2cc(C[NH2+]CC3CC3)nn2)cc1 ZINC000162002100 1179122079 /nfs/dbraw/zinc/12/20/79/1179122079.db2.gz KYTZRQLLNJXFIZ-UHFFFAOYSA-N 1 0 287.323 1.734 20 5 CDBDRO CCC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001753364358 1185169947 /nfs/dbraw/zinc/16/99/47/1185169947.db2.gz ZQZBNQOLZQDDBS-CHWSQXEVSA-N 1 0 283.372 1.232 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC(C)(C)[NH3+])c1 ZINC000405870104 1186580402 /nfs/dbraw/zinc/58/04/02/1186580402.db2.gz BPTLNOFQAGZZHV-UHFFFAOYSA-N 1 0 265.313 1.760 20 5 CDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000827332937 711843547 /nfs/dbraw/zinc/84/35/47/711843547.db2.gz VQAQCDYUJJIGAL-CHWSQXEVSA-N 1 0 297.399 1.765 20 5 CDBDRO C[C@H]1COC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000932503187 711866069 /nfs/dbraw/zinc/86/60/69/711866069.db2.gz XCFDMEXKHXDSII-GXFFZTMASA-N 1 0 266.297 1.598 20 5 CDBDRO CC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000054263348 711876089 /nfs/dbraw/zinc/87/60/89/711876089.db2.gz VAVHWWUIJKBTOJ-UHFFFAOYSA-N 1 0 271.704 1.588 20 5 CDBDRO Nc1c(C(=O)OCCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000800181419 711903909 /nfs/dbraw/zinc/90/39/09/711903909.db2.gz KNKTYMASQWIPBS-UHFFFAOYSA-N 1 0 293.323 1.820 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000782617024 711907254 /nfs/dbraw/zinc/90/72/54/711907254.db2.gz KJAQMDNNJHLSCO-SWLSCSKDSA-N 1 0 292.335 1.678 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1NCC[N@@H+](C)CCOCCO ZINC000882951507 711945525 /nfs/dbraw/zinc/94/55/25/711945525.db2.gz IKUCHRBENABGNI-UHFFFAOYSA-N 1 0 297.355 1.256 20 5 CDBDRO C[C@H]1COC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000932503185 711946990 /nfs/dbraw/zinc/94/69/90/711946990.db2.gz XCFDMEXKHXDSII-GWCFXTLKSA-N 1 0 266.297 1.598 20 5 CDBDRO CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000791053647 711947143 /nfs/dbraw/zinc/94/71/43/711947143.db2.gz UYTMWKNZXRQOHG-LLVKDONJSA-N 1 0 287.360 1.594 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000818021821 711981028 /nfs/dbraw/zinc/98/10/28/711981028.db2.gz KPMOHLSAXQXCON-UHFFFAOYSA-N 1 0 266.301 1.034 20 5 CDBDRO Cc1c(NC(=O)[C@H](C)N(C)C[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000863568151 711988675 /nfs/dbraw/zinc/98/86/75/711988675.db2.gz HYJVSGWOUIVJRI-KOLCDFICSA-N 1 0 294.355 1.509 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCC[C@@H]2O)c1 ZINC000872224626 712005307 /nfs/dbraw/zinc/00/53/07/712005307.db2.gz HEBSUVAFJAMLII-RWMBFGLXSA-N 1 0 266.297 1.131 20 5 CDBDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886075133 712015376 /nfs/dbraw/zinc/01/53/76/712015376.db2.gz CNUCDVPZFHBGTR-CYBMUJFWSA-N 1 0 281.312 1.811 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[NH2+]C(C)C)CC2 ZINC000851639644 712047710 /nfs/dbraw/zinc/04/77/10/712047710.db2.gz UALDETZMLJYLSE-UHFFFAOYSA-N 1 0 277.324 1.790 20 5 CDBDRO C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000125424395 712048671 /nfs/dbraw/zinc/04/86/71/712048671.db2.gz WLQPBJOMPUYIHE-ZYHUDNBSSA-N 1 0 284.360 1.424 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000818564832 712073588 /nfs/dbraw/zinc/07/35/88/712073588.db2.gz NTZSLODJVBOXNS-NXEZZACHSA-N 1 0 295.314 1.852 20 5 CDBDRO C[NH2+][C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923284538 712151029 /nfs/dbraw/zinc/15/10/29/712151029.db2.gz OSOGWQHIXASDDG-JSGCOSHPSA-N 1 0 279.340 1.312 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886815639 712182672 /nfs/dbraw/zinc/18/26/72/712182672.db2.gz HCLINDIKMUPYKQ-OLZOCXBDSA-N 1 0 294.355 1.601 20 5 CDBDRO Cc1c(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC000111266104 712210481 /nfs/dbraw/zinc/21/04/81/712210481.db2.gz YFKIDUKQJVONGR-PSASIEDQSA-N 1 0 263.297 1.697 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000850741018 712254226 /nfs/dbraw/zinc/25/42/26/712254226.db2.gz JIOLPICCQNMCCZ-SSDOTTSWSA-N 1 0 286.719 1.978 20 5 CDBDRO C[C@H]1COCC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886171271 712270650 /nfs/dbraw/zinc/27/06/50/712270650.db2.gz CJRAYNDBSQTJEJ-GXSJLCMTSA-N 1 0 251.286 1.504 20 5 CDBDRO Cc1ccc([C@H](C)N[C@H]2C[NH2+]CCOC2)cc1[N+](=O)[O-] ZINC000925578065 712271487 /nfs/dbraw/zinc/27/14/87/712271487.db2.gz ZLNWIUNWCDBZIP-AAEUAGOBSA-N 1 0 279.340 1.542 20 5 CDBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839571448 712295291 /nfs/dbraw/zinc/29/52/91/712295291.db2.gz OPIUABCLWMUDOW-IJLUTSLNSA-N 1 0 283.372 1.278 20 5 CDBDRO CCCNC(=O)CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815562513 712317274 /nfs/dbraw/zinc/31/72/74/712317274.db2.gz HKJAUSRBKYFJRH-SNVBAGLBSA-N 1 0 294.355 1.744 20 5 CDBDRO COc1cc(C(=O)N(C)C[C@@H](C)[NH3+])cc([N+](=O)[O-])c1C ZINC000877105907 712391881 /nfs/dbraw/zinc/39/18/81/712391881.db2.gz NQVJNBBZWKRTGK-MRVPVSSYSA-N 1 0 281.312 1.331 20 5 CDBDRO Cc1c(C[NH2+]C[C@]2(O)CCSC2)cccc1[N+](=O)[O-] ZINC000702312599 712423811 /nfs/dbraw/zinc/42/38/11/712423811.db2.gz YCHFRKJYYCOMDQ-CYBMUJFWSA-N 1 0 282.365 1.861 20 5 CDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[C@@H]2C1 ZINC000886337912 712428395 /nfs/dbraw/zinc/42/83/95/712428395.db2.gz DUWGNHWNNNXCRK-MXWKQRLJSA-N 1 0 275.308 1.874 20 5 CDBDRO CC[C@H](CO)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000931766858 712443685 /nfs/dbraw/zinc/44/36/85/712443685.db2.gz LNKKSMHIGCKNKA-LLVKDONJSA-N 1 0 268.313 1.724 20 5 CDBDRO Cc1c(C[NH2+]C[C@@H]2COCCO2)cccc1[N+](=O)[O-] ZINC000037999912 712479849 /nfs/dbraw/zinc/47/98/49/712479849.db2.gz ZTFGJGFRXTTYKM-GFCCVEGCSA-N 1 0 266.297 1.408 20 5 CDBDRO C[N@@H+]1CCC[C@@H]2CN(Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000164671682 712484183 /nfs/dbraw/zinc/48/41/83/712484183.db2.gz LAFFVKWNMGTAKJ-YPMHNXCESA-N 1 0 279.344 1.165 20 5 CDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cn1cc([N+](=O)[O-])cn1 ZINC000808191088 712491491 /nfs/dbraw/zinc/49/14/91/712491491.db2.gz KKNRVYRDKINNRE-YPMHNXCESA-N 1 0 279.344 1.307 20 5 CDBDRO CNC(=O)c1ccc(N2CC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000132437600 712495739 /nfs/dbraw/zinc/49/57/39/712495739.db2.gz XTMIRHDXOQBWKF-MWLCHTKSSA-N 1 0 292.339 1.128 20 5 CDBDRO CC[N@@H+]1CCN(c2ccc(N)cc2[N+](=O)[O-])C[C@@H]1C ZINC000804573837 712509476 /nfs/dbraw/zinc/50/94/76/712509476.db2.gz QBEQCEDMMLPHND-JTQLQIEISA-N 1 0 264.329 1.707 20 5 CDBDRO O=[N+]([O-])CCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000929262348 712698793 /nfs/dbraw/zinc/69/87/93/712698793.db2.gz KKGKMCRLBQVLMM-UHFFFAOYSA-N 1 0 269.389 1.851 20 5 CDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700627793 712706714 /nfs/dbraw/zinc/70/67/14/712706714.db2.gz OHNSUDKIGOBRFT-VIFPVBQESA-N 1 0 297.742 1.978 20 5 CDBDRO C[C@@H](C[NH3+])CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000237371123 712709748 /nfs/dbraw/zinc/70/97/48/712709748.db2.gz BAYNXPBEZJMGJO-ZETCQYMHSA-N 1 0 255.249 1.059 20 5 CDBDRO CC(C)[C@@H](c1nc(-c2c([N+](=O)[O-])ncn2C)no1)[C@@H](C)[NH3+] ZINC000823089021 712773109 /nfs/dbraw/zinc/77/31/09/712773109.db2.gz QJJFSARAJCDMKP-HTQZYQBOSA-N 1 0 294.315 1.465 20 5 CDBDRO CCOC(=O)c1cnc(NCC[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC001170887312 1164187451 /nfs/dbraw/zinc/18/74/51/1164187451.db2.gz SESGCDLFCNWIRM-MRVPVSSYSA-N 1 0 282.300 1.316 20 5 CDBDRO Cc1nc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000408067969 719153734 /nfs/dbraw/zinc/15/37/34/719153734.db2.gz QDQDSWQBPFTNNH-UWVGGRQHSA-N 1 0 264.329 1.827 20 5 CDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cccc([N+](=O)[O-])n1 ZINC001164640730 719169355 /nfs/dbraw/zinc/16/93/55/719169355.db2.gz VQKICMSQCNPADU-VHSXEESVSA-N 1 0 250.302 1.519 20 5 CDBDRO Cc1ccnc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC001164635762 719171000 /nfs/dbraw/zinc/17/10/00/719171000.db2.gz LSBNGKCCAYIVHP-GHMZBOCLSA-N 1 0 264.329 1.827 20 5 CDBDRO C[N@@H+]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1(C)C ZINC000865914713 1164708775 /nfs/dbraw/zinc/70/87/75/1164708775.db2.gz VEZSYHCVQBCDBU-UHFFFAOYSA-N 1 0 297.330 1.757 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCOC[C@H]1O ZINC001173216351 912299238 /nfs/dbraw/zinc/29/92/38/912299238.db2.gz IWURAOMNRFNEJM-LERXQTSPSA-N 1 0 280.324 1.265 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CNC(=O)C1 ZINC001173220072 912305578 /nfs/dbraw/zinc/30/55/78/912305578.db2.gz SSQRLKOOPPFTBD-ONGXEEELSA-N 1 0 263.297 1.004 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC[C@H](O)C1 ZINC001173223357 912310552 /nfs/dbraw/zinc/31/05/52/912310552.db2.gz ZMHFIDZPOKGFJE-BXUZGUMPSA-N 1 0 280.324 1.219 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC([NH+](C)C)C1 ZINC001173224395 912310783 /nfs/dbraw/zinc/31/07/83/912310783.db2.gz FJBUFRKNOYXZAE-LLVKDONJSA-N 1 0 263.341 1.772 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCNC1=O ZINC001173210445 912330097 /nfs/dbraw/zinc/33/00/97/912330097.db2.gz KMNNGOHPCIXZFD-BXKDBHETSA-N 1 0 263.297 1.004 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCCNC1=O ZINC001173211159 912330201 /nfs/dbraw/zinc/33/02/01/912330201.db2.gz QCYXQVALJISRGP-FZMZJTMJSA-N 1 0 291.351 1.784 20 5 CDBDRO C[NH+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000308676449 896236801 /nfs/dbraw/zinc/23/68/01/896236801.db2.gz GAVMYNDQRKGXAX-UHFFFAOYSA-N 1 0 280.328 1.247 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1-n1c(C)ncc(C[NH3+])c1=N ZINC001167674160 897648156 /nfs/dbraw/zinc/64/81/56/897648156.db2.gz MJQFYLIQLZXZIZ-UHFFFAOYSA-N 1 0 273.296 1.336 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])cc1-n1ccc(CC[NH3+])n1 ZINC001167730597 899486841 /nfs/dbraw/zinc/48/68/41/899486841.db2.gz NFWCILQJIFRGOG-UHFFFAOYSA-N 1 0 290.279 1.068 20 5 CDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000300413571 900746914 /nfs/dbraw/zinc/74/69/14/900746914.db2.gz BERKNSYPHHLBIU-OSMZGAPFSA-N 1 0 280.324 1.785 20 5 CDBDRO CC[N@@H+]1CC[C@@H](Oc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227109126 906047544 /nfs/dbraw/zinc/04/75/44/906047544.db2.gz SZXLOAPXYRIRHJ-SECBINFHSA-N 1 0 282.256 1.371 20 5 CDBDRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840826726 906399511 /nfs/dbraw/zinc/39/95/11/906399511.db2.gz UFBXUAQSMDPGKN-LJUAHTATSA-N 1 0 281.312 1.241 20 5 CDBDRO COc1nc(C)c(NC2CN(C(C)C)C2)cc1[N+](=O)[O-] ZINC001168316010 908996363 /nfs/dbraw/zinc/99/63/63/908996363.db2.gz SGYADRDYMHAQPL-UHFFFAOYSA-N 1 0 280.328 1.811 20 5 CDBDRO O=C(NCC[NH2+]CCCc1ccsc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936895 909938308 /nfs/dbraw/zinc/93/83/08/909938308.db2.gz WPOYUQFLHSMOPB-VXGBXAGGSA-N 1 0 297.380 1.052 20 5 CDBDRO COc1c(F)cc(Nc2nccnc2C[NH3+])cc1[N+](=O)[O-] ZINC001171448317 910644244 /nfs/dbraw/zinc/64/42/44/910644244.db2.gz ZGODVNPRBQMTPJ-UHFFFAOYSA-N 1 0 293.258 1.735 20 5 CDBDRO CCOC(=O)N1CCC[C@H](OCC[N+](C)(C)C)C1 ZINC001224771850 910662987 /nfs/dbraw/zinc/66/29/87/910662987.db2.gz SVVCGNXADQKSCM-LBPRGKRZSA-N 1 0 259.370 1.330 20 5 CDBDRO CC(=O)NCC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899131 912036260 /nfs/dbraw/zinc/03/62/60/912036260.db2.gz UAIMAIDDNMYRSC-CQSZACIVSA-N 1 0 291.351 1.568 20 5 CDBDRO CC(=O)OCC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900095 912039033 /nfs/dbraw/zinc/03/90/33/912039033.db2.gz CEPYZPLTQYITGN-AWEZNQCLSA-N 1 0 292.335 1.995 20 5 CDBDRO COCC[C@H](C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819368226 918146359 /nfs/dbraw/zinc/14/63/59/918146359.db2.gz FYJYGUCTGYPUMJ-SMDDNHRTSA-N 1 0 282.340 1.890 20 5 CDBDRO CCCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001001398381 936551514 /nfs/dbraw/zinc/55/15/14/936551514.db2.gz CMQCHGKXAUKWPF-CHWSQXEVSA-N 1 0 283.372 1.280 20 5 CDBDRO CC(C)(CO)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843106609 919595160 /nfs/dbraw/zinc/59/51/60/919595160.db2.gz MYHSKSVNBKIRRY-ZDUSSCGKSA-N 1 0 282.340 1.626 20 5 CDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000827706283 936604435 /nfs/dbraw/zinc/60/44/35/936604435.db2.gz KRTACKUDXPPUSS-JTQLQIEISA-N 1 0 295.314 1.758 20 5 CDBDRO C[N@@H+]1CC[C@@H]2CN(c3nc4ccccn4c3[N+](=O)[O-])C[C@@H]21 ZINC001186509014 920053202 /nfs/dbraw/zinc/05/32/02/920053202.db2.gz BBNIBMPREOFYGP-MNOVXSKESA-N 1 0 287.323 1.383 20 5 CDBDRO CC(C)[C@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])n2C)n1 ZINC000843148083 920568434 /nfs/dbraw/zinc/56/84/34/920568434.db2.gz MIBRBHCHXXBFIK-VIFPVBQESA-N 1 0 265.273 1.639 20 5 CDBDRO C[C@@H](COC(=O)c1cccc(C[NH+](C)C)c1)[N+](=O)[O-] ZINC000835455843 936734406 /nfs/dbraw/zinc/73/44/06/936734406.db2.gz PVUMKXWZDLDTDA-JTQLQIEISA-N 1 0 266.297 1.570 20 5 CDBDRO CN(C)c1ccc(-n2cnc(C[NH3+])c2)c([N+](=O)[O-])c1 ZINC001162304665 922242082 /nfs/dbraw/zinc/24/20/82/922242082.db2.gz WYBMHPNYXCMOFV-UHFFFAOYSA-N 1 0 261.285 1.305 20 5 CDBDRO C[C@H](C[NH+](C)C)Nc1cc([N+](=O)[O-])c2nccn2c1 ZINC001163776471 924187783 /nfs/dbraw/zinc/18/77/83/924187783.db2.gz AXZOMCMCDPJIDG-SECBINFHSA-N 1 0 263.301 1.605 20 5 CDBDRO C[NH2+][C@H](C)Cc1noc(CCC(C)(C)[N+](=O)[O-])n1 ZINC000842634845 937066281 /nfs/dbraw/zinc/06/62/81/937066281.db2.gz HXAMPZSLSDNDSX-MRVPVSSYSA-N 1 0 256.306 1.208 20 5 CDBDRO COc1nc(NC[C@]2(F)CCCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001155114957 926545825 /nfs/dbraw/zinc/54/58/25/926545825.db2.gz IQWUTUUOZFPTCL-LBPRGKRZSA-N 1 0 299.306 1.287 20 5 CDBDRO [NH3+]CCc1noc(COc2cccc([N+](=O)[O-])c2)n1 ZINC000843128790 937115610 /nfs/dbraw/zinc/11/56/10/937115610.db2.gz IFIYVEQSBAONPN-UHFFFAOYSA-N 1 0 264.241 1.058 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2C[NH2+]CCO2)n1 ZINC000843187333 937119822 /nfs/dbraw/zinc/11/98/22/937119822.db2.gz NHXQOTLOMQQVKZ-NSHDSACASA-N 1 0 290.279 1.614 20 5 CDBDRO CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001086288758 926944381 /nfs/dbraw/zinc/94/43/81/926944381.db2.gz JKBWUOVMQZKACR-AULYBMBSSA-N 1 0 277.324 1.599 20 5 CDBDRO COC(=O)c1ccnc(N[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC001155916647 927196896 /nfs/dbraw/zinc/19/68/96/927196896.db2.gz PYLOSDNVCPOLDP-MRVPVSSYSA-N 1 0 282.300 1.138 20 5 CDBDRO COc1ccc([N+](=O)[O-])nc1-n1cc2c(n1)CC[C@H]([NH3+])C2 ZINC001168816688 927448252 /nfs/dbraw/zinc/44/82/52/927448252.db2.gz RYWIAARSRJLKDD-VIFPVBQESA-N 1 0 289.295 1.000 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(O)cc2)C1 ZINC001168976203 927563724 /nfs/dbraw/zinc/56/37/24/927563724.db2.gz ZJGPATLIBVDTPJ-SCDSUCTJSA-N 1 0 280.324 1.461 20 5 CDBDRO CC(=O)N1CCC(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168979206 927565713 /nfs/dbraw/zinc/56/57/13/927565713.db2.gz XEABDACXLYLOLA-KGLIPLIRSA-N 1 0 283.372 1.280 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCn2nnc3ccccc32)C1 ZINC001168978256 927566281 /nfs/dbraw/zinc/56/62/81/927566281.db2.gz QIJHIDDAZCOIAF-VXGBXAGGSA-N 1 0 289.339 1.466 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cncc(Cl)n2)C1 ZINC001168985290 927574850 /nfs/dbraw/zinc/57/48/50/927574850.db2.gz SRJXVCWHMLQIKT-RKDXNWHRSA-N 1 0 270.720 1.665 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC001168956783 927578163 /nfs/dbraw/zinc/57/81/63/927578163.db2.gz FHCUWBABYGZFGN-NEPJUHHUSA-N 1 0 278.308 1.950 20 5 CDBDRO C[C@@]1(O)CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168960611 927579809 /nfs/dbraw/zinc/57/98/09/927579809.db2.gz FSDDBPPQPJNWCH-NDBYEHHHSA-N 1 0 256.346 1.715 20 5 CDBDRO COC(=O)c1csc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168965121 927587316 /nfs/dbraw/zinc/58/73/16/927587316.db2.gz YGECALZZFJPIQI-BDAKNGLRSA-N 1 0 299.352 1.465 20 5 CDBDRO CSCC[C@@H](CO)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168965539 927589102 /nfs/dbraw/zinc/58/91/02/927589102.db2.gz ALIOFWGHAXBJPK-VWYCJHECSA-N 1 0 262.375 1.135 20 5 CDBDRO Cc1nn(C)cc1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968100 927591686 /nfs/dbraw/zinc/59/16/86/927591686.db2.gz VPPYIBBONVAZNE-ZYHUDNBSSA-N 1 0 252.318 1.264 20 5 CDBDRO O=C(CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)NCc1ccco1 ZINC001168968360 927592411 /nfs/dbraw/zinc/59/24/11/927592411.db2.gz XZGSXQKBDJUFDS-VXGBXAGGSA-N 1 0 295.339 1.321 20 5 CDBDRO CC(C)C(=O)N1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168968103 927592515 /nfs/dbraw/zinc/59/25/15/927592515.db2.gz VUTULSIYXHVLNO-OCCSQVGLSA-N 1 0 297.399 1.668 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN(c3ccccn3)C2)C1 ZINC001168997304 927603058 /nfs/dbraw/zinc/60/30/58/927603058.db2.gz YNXJOKLFQRRXTG-MGPQQGTHSA-N 1 0 290.367 1.695 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(c3cnccn3)CC2)C1 ZINC001169005764 927607492 /nfs/dbraw/zinc/60/74/92/927607492.db2.gz CWSPFGLCYOMHBO-CHWSQXEVSA-N 1 0 291.355 1.044 20 5 CDBDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@H]1O ZINC001169006173 927608259 /nfs/dbraw/zinc/60/82/59/927608259.db2.gz FPLRALPCMXCJGD-YVECIDJPSA-N 1 0 256.346 1.525 20 5 CDBDRO CC(C)N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169007118 927610715 /nfs/dbraw/zinc/61/07/15/927610715.db2.gz LIFHQXCXZXYBQA-OLZOCXBDSA-N 1 0 255.362 1.458 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)C1 ZINC001169011926 927616206 /nfs/dbraw/zinc/61/62/06/927616206.db2.gz NREBKQGYNFANLJ-VLEAKVRGSA-N 1 0 296.289 1.534 20 5 CDBDRO C[C@]1(CO)CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169010549 927616792 /nfs/dbraw/zinc/61/67/92/927616792.db2.gz DKLGIDINDVVMKF-RDBSUJKOSA-N 1 0 270.373 1.916 20 5 CDBDRO CCOC(=O)C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169014402 927619033 /nfs/dbraw/zinc/61/90/33/927619033.db2.gz ZJCIEGPRAHZYDW-AAEUAGOBSA-N 1 0 284.356 1.707 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(O)(C(F)(F)F)CC2)C1 ZINC001169012553 927619221 /nfs/dbraw/zinc/61/92/21/927619221.db2.gz RDCSNWBYNDBTAB-NXEZZACHSA-N 1 0 296.289 1.821 20 5 CDBDRO CC(C)(CC(=O)N1CCCC1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987855 927624675 /nfs/dbraw/zinc/62/46/75/927624675.db2.gz KUSMYFUIHYZSNA-OLZOCXBDSA-N 1 0 297.399 1.813 20 5 CDBDRO CCOC(=O)C(C)(C)C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168988228 927625167 /nfs/dbraw/zinc/62/51/67/927625167.db2.gz PJNADCOUVKDSGY-GHMZBOCLSA-N 1 0 272.345 1.611 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](N3CCCCC3)C2)C1 ZINC001169027877 927632277 /nfs/dbraw/zinc/63/22/77/927632277.db2.gz RKBMBKTZWCEEKM-QLFBSQMISA-N 1 0 281.400 1.992 20 5 CDBDRO Cc1noc([C@@H]2CC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169035138 927641145 /nfs/dbraw/zinc/64/11/45/927641145.db2.gz AKVBAGDKFPZFKD-QJPTWQEYSA-N 1 0 280.328 1.613 20 5 CDBDRO O=C1NCCC2(CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)O1 ZINC001169035801 927643582 /nfs/dbraw/zinc/64/35/82/927643582.db2.gz CJTGWQNGDUAXKQ-RYUDHWBXSA-N 1 0 297.355 1.396 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](n2ccnc2[C@H]2CCC[NH2+]C2)C1 ZINC001169035997 927643821 /nfs/dbraw/zinc/64/38/21/927643821.db2.gz FAJRFFBOEVWIDS-AGIUHOORSA-N 1 0 278.356 1.968 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCN3CC(F)(F)C[C@H]3C2)C1 ZINC001169037053 927646996 /nfs/dbraw/zinc/64/69/96/927646996.db2.gz IDQHMOIOSRAXHB-WOPDTQHZSA-N 1 0 289.326 1.457 20 5 CDBDRO CCO[C@@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H]2CCCO[C@H]12 ZINC001169018985 927660630 /nfs/dbraw/zinc/66/06/30/927660630.db2.gz FXPSPRKGOYIIRF-AHDPXTMNSA-N 1 0 298.383 1.700 20 5 CDBDRO CCN1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H](C)C1 ZINC001169051403 927668779 /nfs/dbraw/zinc/66/87/79/927668779.db2.gz DOPHIHTZQFPZSW-FRRDWIJNSA-N 1 0 255.362 1.458 20 5 CDBDRO C[N@H+](Cc1cncnc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169054252 927671844 /nfs/dbraw/zinc/67/18/44/927671844.db2.gz LIRDDKAGZHTAAV-JQWIXIFHSA-N 1 0 250.302 1.354 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(CCO)CC2)cc1 ZINC000776581955 927758014 /nfs/dbraw/zinc/75/80/14/927758014.db2.gz JUAKNWAPSXKWJZ-HNNXBMFYSA-N 1 0 294.351 1.723 20 5 CDBDRO [NH3+]Cc1cccc2c1cnn2-c1ncccc1[N+](=O)[O-] ZINC001169188808 927800816 /nfs/dbraw/zinc/80/08/16/927800816.db2.gz HQVMQEJNGDIWTD-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1-n1ncc2c1cccc2C[NH3+] ZINC001169191532 927801198 /nfs/dbraw/zinc/80/11/98/927801198.db2.gz IIEBNYIALNLDFI-UHFFFAOYSA-N 1 0 298.306 1.829 20 5 CDBDRO [NH3+]Cc1cccc2c1cnn2-c1cnc(F)c([N+](=O)[O-])c1 ZINC001169192027 927802419 /nfs/dbraw/zinc/80/24/19/927802419.db2.gz GEQWFEFSZWURMG-UHFFFAOYSA-N 1 0 287.254 1.927 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1-n1ccc([C@@H](C)[NH3+])n1 ZINC001169228004 927826958 /nfs/dbraw/zinc/82/69/58/927826958.db2.gz KCMDTMYNRXRLKT-SSDOTTSWSA-N 1 0 263.257 1.204 20 5 CDBDRO C[C@@H]([NH3+])c1ccn(-c2cnc(Cl)cc2[N+](=O)[O-])n1 ZINC001169230587 927838090 /nfs/dbraw/zinc/83/80/90/927838090.db2.gz TTYRMMIUVHTTDL-ZCFIWIBFSA-N 1 0 267.676 1.849 20 5 CDBDRO COc1cccc(-n2ccc([C@H](C)[NH3+])n2)c1[N+](=O)[O-] ZINC001169232683 927845919 /nfs/dbraw/zinc/84/59/19/927845919.db2.gz IKPBJJWIAUEEHU-QMMMGPOBSA-N 1 0 262.269 1.809 20 5 CDBDRO COc1nc(NCC[C@H]2CCC[NH2+]2)nc(C)c1[N+](=O)[O-] ZINC001169559019 928173737 /nfs/dbraw/zinc/17/37/37/928173737.db2.gz XXMXQPUOAWFHBU-SECBINFHSA-N 1 0 281.316 1.256 20 5 CDBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000855286263 928386541 /nfs/dbraw/zinc/38/65/41/928386541.db2.gz NSFAOYJHFQICDH-NSHDSACASA-N 1 0 285.388 1.811 20 5 CDBDRO C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000856795751 928629834 /nfs/dbraw/zinc/62/98/34/928629834.db2.gz IVKRKZQNOHWEDN-UXIGCNINSA-N 1 0 294.351 1.579 20 5 CDBDRO CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000858583355 928890436 /nfs/dbraw/zinc/89/04/36/928890436.db2.gz ZUQJRGOLZJOLHJ-UWVGGRQHSA-N 1 0 281.312 1.654 20 5 CDBDRO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000858585080 928893094 /nfs/dbraw/zinc/89/30/94/928893094.db2.gz ZUQJRGOLZJOLHJ-NXEZZACHSA-N 1 0 281.312 1.654 20 5 CDBDRO CNc1cc([N+](=O)[O-])cnc1-n1nnc2ccc(C[NH3+])cc21 ZINC001170021967 929054867 /nfs/dbraw/zinc/05/48/67/929054867.db2.gz JHZNAOOLBORBRG-UHFFFAOYSA-N 1 0 299.294 1.224 20 5 CDBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000785742875 929172318 /nfs/dbraw/zinc/17/23/18/929172318.db2.gz PMYMSYQICIXQPY-GHMZBOCLSA-N 1 0 296.327 1.207 20 5 CDBDRO Cc1nc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)[nH]c1C ZINC000862366037 929403781 /nfs/dbraw/zinc/40/37/81/929403781.db2.gz BDCJWGMPEGFBDA-UHFFFAOYSA-N 1 0 289.339 1.900 20 5 CDBDRO C[NH+]1CC(CNc2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001159219000 929823452 /nfs/dbraw/zinc/82/34/52/929823452.db2.gz VIXTTWUIRVWLMB-UHFFFAOYSA-N 1 0 273.296 1.512 20 5 CDBDRO [NH3+][C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000129244633 929901956 /nfs/dbraw/zinc/90/19/56/929901956.db2.gz ILWVDTPALYMWFS-LLVKDONJSA-N 1 0 264.285 1.454 20 5 CDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000882480545 930008729 /nfs/dbraw/zinc/00/87/29/930008729.db2.gz UTUKTJKUKKZXBW-NSHDSACASA-N 1 0 293.323 1.427 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818014971 930672989 /nfs/dbraw/zinc/67/29/89/930672989.db2.gz GLDDGUUNOXUEOE-CQSZACIVSA-N 1 0 275.308 1.563 20 5 CDBDRO C[C@H]1CSC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886202761 930825093 /nfs/dbraw/zinc/82/50/93/930825093.db2.gz DOYJVOUKCZAKRJ-WCBMZHEXSA-N 1 0 253.327 1.831 20 5 CDBDRO Cc1noc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c1[N+](=O)[O-] ZINC000886571925 930909307 /nfs/dbraw/zinc/90/93/07/930909307.db2.gz ONEBBBCYHPOUFR-DTORHVGOSA-N 1 0 269.326 1.686 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000886821920 930969180 /nfs/dbraw/zinc/96/91/80/930969180.db2.gz JSYXBIXPLOMFJX-AAEUAGOBSA-N 1 0 280.328 1.292 20 5 CDBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000886841436 930974268 /nfs/dbraw/zinc/97/42/68/930974268.db2.gz LIKLPVPFIFFFGS-RYUDHWBXSA-N 1 0 262.313 1.316 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc(C[C@@H]3COCC[NH2+]3)n2)s1 ZINC000823070121 931250568 /nfs/dbraw/zinc/25/05/68/931250568.db2.gz ZPYZXILZQHIOJN-SSDOTTSWSA-N 1 0 296.308 1.237 20 5 CDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000843503635 931502846 /nfs/dbraw/zinc/50/28/46/931502846.db2.gz LOZVMYWHKXZIMT-SFYZADRCSA-N 1 0 296.283 1.359 20 5 CDBDRO C[C@@H](CCO)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000844449989 931607343 /nfs/dbraw/zinc/60/73/43/931607343.db2.gz NMPXGQWPZPISPA-VIFPVBQESA-N 1 0 256.277 1.937 20 5 CDBDRO CN(CC[NH+]1CCCCC1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000846611520 932086186 /nfs/dbraw/zinc/08/61/86/932086186.db2.gz AUOIVGDVZOWOHT-UHFFFAOYSA-N 1 0 285.388 1.766 20 5 CDBDRO Cc1c[n+]([O-])c(-n2cc3ccc(C[NH3+])cc3n2)cc1[N+](=O)[O-] ZINC001171314597 932619060 /nfs/dbraw/zinc/61/90/60/932619060.db2.gz FYSZKERGHGSDPW-UHFFFAOYSA-N 1 0 299.290 1.334 20 5 CDBDRO Nc1ccnc(NC[C@@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC001171329292 932688400 /nfs/dbraw/zinc/68/84/00/932688400.db2.gz HZJODIODTUDLQT-QMMMGPOBSA-N 1 0 251.290 1.126 20 5 CDBDRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000925153201 932856621 /nfs/dbraw/zinc/85/66/21/932856621.db2.gz KOJAHHYMRSVULR-DGCLKSJQSA-N 1 0 291.351 1.784 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000925596661 932911887 /nfs/dbraw/zinc/91/18/87/932911887.db2.gz KSPGGWLGQNESFH-SMDDNHRTSA-N 1 0 279.340 1.704 20 5 CDBDRO O=C(NCC[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1F ZINC000040801345 934180978 /nfs/dbraw/zinc/18/09/78/934180978.db2.gz QXLZOMTVIOMPIZ-UHFFFAOYSA-N 1 0 281.287 1.560 20 5 CDBDRO CCCCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001123666459 936197970 /nfs/dbraw/zinc/19/79/70/936197970.db2.gz KKWGPSXLWNEQDM-UHFFFAOYSA-N 1 0 279.340 1.991 20 5 CDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001122108643 937905983 /nfs/dbraw/zinc/90/59/83/937905983.db2.gz RRVRSYSWAJVVPJ-MWQHPAIMSA-N 1 0 289.335 1.552 20 5 CDBDRO CC1(C)CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC001122162805 937909851 /nfs/dbraw/zinc/90/98/51/937909851.db2.gz LEHXVPJUELZYRI-ZDUSSCGKSA-N 1 0 291.351 1.723 20 5 CDBDRO C[NH2+]CCC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001122166266 937910046 /nfs/dbraw/zinc/91/00/46/937910046.db2.gz HQLUVEVMGHCZCX-SECBINFHSA-N 1 0 251.286 1.382 20 5 CDBDRO Cc1c(C)c(-n2c(C)ncc(C[NH3+])c2=N)ncc1[N+](=O)[O-] ZINC001156829672 938423137 /nfs/dbraw/zinc/42/31/37/938423137.db2.gz QJHIAPLWARYCTB-UHFFFAOYSA-N 1 0 288.311 1.039 20 5 CDBDRO N=c1cc(C[NH3+])ccn1-c1nccc2cc([N+](=O)[O-])ccc21 ZINC001156856568 938426686 /nfs/dbraw/zinc/42/66/86/938426686.db2.gz ZGMDKUGWHJMEBS-UHFFFAOYSA-N 1 0 295.302 1.872 20 5 CDBDRO CN(c1cccc([N+](=O)[O-])n1)[C@@]1(C)CCC[NH2+]C1 ZINC001156954910 938438424 /nfs/dbraw/zinc/43/84/24/938438424.db2.gz CERHWKJISLJJQD-LBPRGKRZSA-N 1 0 250.302 1.568 20 5 CDBDRO CN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])[C@]1(C)CCC[NH2+]C1 ZINC001156957741 938438868 /nfs/dbraw/zinc/43/88/68/938438868.db2.gz ZDQVSJXQOMCERS-GFCCVEGCSA-N 1 0 295.299 1.476 20 5 CDBDRO COC(=O)[C@@H](CCC[NH3+])Nc1ncc([N+](=O)[O-])c(C)c1C ZINC001157115847 938456278 /nfs/dbraw/zinc/45/62/78/938456278.db2.gz ANLCEQIQDZZISG-SNVBAGLBSA-N 1 0 296.327 1.299 20 5 CDBDRO COc1cnc(-n2ccc3c2CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001157445259 938492686 /nfs/dbraw/zinc/49/26/86/938492686.db2.gz XPAGYCULTNJBHE-UHFFFAOYSA-N 1 0 274.280 1.435 20 5 CDBDRO Cc1cnc(N[C@H]2C[NH2+]CC[C@H]2F)c([N+](=O)[O-])c1 ZINC001157445673 938492698 /nfs/dbraw/zinc/49/26/98/938492698.db2.gz LDKZFWZBYZJNMB-BDAKNGLRSA-N 1 0 254.265 1.410 20 5 CDBDRO [NH3+]Cc1cnn(-c2ccc3c(cccc3[N+](=O)[O-])n2)c1 ZINC001157472031 938498286 /nfs/dbraw/zinc/49/82/86/938498286.db2.gz SLRPKNBDPOBGNU-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO C[NH2+]CCN(c1ccc([N+](=O)[O-])c(OC)n1)C(C)(C)C ZINC001157825395 938552384 /nfs/dbraw/zinc/55/23/84/938552384.db2.gz GWOSFVCXHUGBQD-UHFFFAOYSA-N 1 0 282.344 1.823 20 5 CDBDRO CN1CCN(C(=[NH2+])Nc2cc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001157914795 938561741 /nfs/dbraw/zinc/56/17/41/938561741.db2.gz KGOPMWKNDJFSCE-UHFFFAOYSA-N 1 0 298.734 1.237 20 5 CDBDRO [NH3+]CCN(c1cccnc1)c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001158000594 938573769 /nfs/dbraw/zinc/57/37/69/938573769.db2.gz CTGAKMRZQNBEDY-UHFFFAOYSA-N 1 0 298.306 1.963 20 5 CDBDRO Cc1nc(CC[NH3+])nn1-c1cc(Cl)ncc1[N+](=O)[O-] ZINC001158129397 938586217 /nfs/dbraw/zinc/58/62/17/938586217.db2.gz UKTLIHOQMJEQBZ-UHFFFAOYSA-N 1 0 282.691 1.034 20 5 CDBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC)n2)C(C)(C)C1 ZINC001158563045 938636870 /nfs/dbraw/zinc/63/68/70/938636870.db2.gz TXSPYEARQUBNSB-UHFFFAOYSA-N 1 0 294.355 1.919 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC4(C[NH2+]C4)CC3)c21 ZINC001159050222 938697921 /nfs/dbraw/zinc/69/79/21/938697921.db2.gz WTKAQBUKHXVCBO-UHFFFAOYSA-N 1 0 299.334 1.728 20 5 CDBDRO C[C@@H](Nc1ccc2[nH]cc([N+](=O)[O-])c2n1)[C@H]1C[NH2+]CCO1 ZINC001159498221 938734149 /nfs/dbraw/zinc/73/41/49/938734149.db2.gz KPUCOOCPNMKFPA-LDYMZIIASA-N 1 0 291.311 1.260 20 5 CDBDRO COc1cc(-n2cc3ccc(C[NH3+])cc3n2)ncc1[N+](=O)[O-] ZINC001160140614 938770480 /nfs/dbraw/zinc/77/04/80/938770480.db2.gz JBVIKSWLBJEAJH-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO Cc1ccnc(N[C@]2(C[NH3+])CN3CCC2CC3)c1[N+](=O)[O-] ZINC001160510084 938792000 /nfs/dbraw/zinc/79/20/00/938792000.db2.gz FSOCBGMOYOILTC-CQSZACIVSA-N 1 0 291.355 1.133 20 5 CDBDRO [NH3+]C/C=C/CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC001160982796 938853444 /nfs/dbraw/zinc/85/34/44/938853444.db2.gz QDAFDEXOLDCSQF-OWOJBTEDSA-N 1 0 259.269 1.465 20 5 CDBDRO C[NH+](C)CCCCNc1cc([N+](=O)[O-])c2nccn2c1 ZINC001161730716 938927347 /nfs/dbraw/zinc/92/73/47/938927347.db2.gz BIRNJOSSBQNFJB-UHFFFAOYSA-N 1 0 277.328 1.996 20 5 CDBDRO [NH3+]Cc1cn(-c2cc3cccnc3c([N+](=O)[O-])c2)cn1 ZINC001162304681 938976572 /nfs/dbraw/zinc/97/65/72/938976572.db2.gz XKHNUHQYUWPYNE-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO C[C@@]1([NH3+])C[C@H](Nc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001162328148 939024612 /nfs/dbraw/zinc/02/46/12/939024612.db2.gz JLHVDKJNIQDJAK-XGAOUMNUSA-N 1 0 272.692 1.173 20 5 CDBDRO COc1nc(N[C@@H]2CCC[C@@H]([NH3+])C2)nc(C)c1[N+](=O)[O-] ZINC001162390011 939041042 /nfs/dbraw/zinc/04/10/42/939041042.db2.gz BIPNWPYKQBCFAZ-RKDXNWHRSA-N 1 0 281.316 1.384 20 5 CDBDRO Cc1cc(NC[C@H]2C[NH2+][C@H](C)C2)ncc1[N+](=O)[O-] ZINC001162557591 939087105 /nfs/dbraw/zinc/08/71/05/939087105.db2.gz JIVMYAFLTSVCMU-NXEZZACHSA-N 1 0 250.302 1.708 20 5 CDBDRO [NH3+]Cc1ccnn1-c1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001162593779 939098067 /nfs/dbraw/zinc/09/80/67/939098067.db2.gz PLMHVYCGJZCYAY-UHFFFAOYSA-N 1 0 257.253 1.721 20 5 CDBDRO Cc1nc(Cl)nc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)c1[N+](=O)[O-] ZINC001162789644 939139833 /nfs/dbraw/zinc/13/98/33/939139833.db2.gz JMZPTTJXZRBZCC-DJLDLDEBSA-N 1 0 295.730 1.533 20 5 CDBDRO CC(C)C[N@@H+]1CC[C@H](CNc2nn(C)cc2[N+](=O)[O-])C1 ZINC001162818954 939149293 /nfs/dbraw/zinc/14/92/93/939149293.db2.gz MXISFHMFUMOCTP-LLVKDONJSA-N 1 0 281.360 1.718 20 5 CDBDRO [NH3+][C@H]1Cc2ccccc2N(c2cnc([N+](=O)[O-])cn2)C1 ZINC001162850108 939153438 /nfs/dbraw/zinc/15/34/38/939153438.db2.gz PLYYOUUPCCZUFJ-JTQLQIEISA-N 1 0 271.280 1.406 20 5 CDBDRO O=[N+]([O-])c1ccnc(NC2CC3(C2)CCC[NH2+]C3)c1 ZINC001162981116 939168851 /nfs/dbraw/zinc/16/88/51/939168851.db2.gz OMEZICAIUCBPQW-UHFFFAOYSA-N 1 0 262.313 1.934 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001162984856 939168999 /nfs/dbraw/zinc/16/89/99/939168999.db2.gz UJNIHNIALJWKAQ-WCQYABFASA-N 1 0 278.312 1.695 20 5 CDBDRO O=[N+]([O-])c1cc(N[C@@]23CCC[C@@H]2[NH2+]CC3)cnc1F ZINC001162988398 939169717 /nfs/dbraw/zinc/16/97/17/939169717.db2.gz XWOOUAKKAWQYHK-CMPLNLGQSA-N 1 0 266.276 1.825 20 5 CDBDRO [NH3+]C[C@@H](CO)c1ccc(Nc2cccc([N+](=O)[O-])n2)cc1 ZINC001163053969 939186453 /nfs/dbraw/zinc/18/64/53/939186453.db2.gz WMZQEIWQMAXAMX-NSHDSACASA-N 1 0 288.307 1.768 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])cc1N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001163230049 939230032 /nfs/dbraw/zinc/23/00/32/939230032.db2.gz UBQAKTCUNDPJKZ-SECBINFHSA-N 1 0 292.320 1.546 20 5 CDBDRO COc1cc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)cc([N+](=O)[O-])c1C ZINC001163342656 939251774 /nfs/dbraw/zinc/25/17/74/939251774.db2.gz DEXNHQYRLQJNMS-SUNKGSAMSA-N 1 0 293.323 1.453 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(-n3cnc4c3C[NH2+]CC4)c21 ZINC001164316682 939453313 /nfs/dbraw/zinc/45/33/13/939453313.db2.gz FILQXFJKHILLED-UHFFFAOYSA-N 1 0 296.290 1.369 20 5 CDBDRO Nc1cc(N2CCC3(CC([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001165244433 939532041 /nfs/dbraw/zinc/53/20/41/939532041.db2.gz ZATFKGWZZIPQFC-UHFFFAOYSA-N 1 0 277.328 1.280 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1N1CCC(C2C[NH2+]C2)CC1 ZINC001165410897 939560482 /nfs/dbraw/zinc/56/04/82/939560482.db2.gz OQLCBWVNNCUKOX-UHFFFAOYSA-N 1 0 280.303 1.565 20 5 CDBDRO C[C@@H](CCO)Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001165937537 939586502 /nfs/dbraw/zinc/58/65/02/939586502.db2.gz JLIREVUQZZPUAW-NSHDSACASA-N 1 0 297.355 1.718 20 5 CDBDRO [NH3+]C1CCN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC001166664587 939624370 /nfs/dbraw/zinc/62/43/70/939624370.db2.gz UUGMRFJFXLMKMT-UHFFFAOYSA-N 1 0 299.334 1.979 20 5 CDBDRO CN(C[C@@H]1CC[NH2+]C1)c1cc(Cl)ncc1[N+](=O)[O-] ZINC001166954908 939658911 /nfs/dbraw/zinc/65/89/11/939658911.db2.gz MLCJPIGKFLIMCR-MRVPVSSYSA-N 1 0 270.720 1.689 20 5 CDBDRO [NH3+][C@@H]1CCN(c2cc(Cl)cc([N+](=O)[O-])n2)CC1(F)F ZINC001166960646 939661592 /nfs/dbraw/zinc/66/15/92/939661592.db2.gz JSZDHIGWDOWAEM-SSDOTTSWSA-N 1 0 292.673 1.816 20 5 CDBDRO O=[N+]([O-])c1cc(F)cnc1NC[C@H]1CCCC[NH2+]1 ZINC000401269427 940866274 /nfs/dbraw/zinc/86/62/74/940866274.db2.gz QBSYCRZEFGSAQR-SECBINFHSA-N 1 0 254.265 1.683 20 5 CDBDRO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@@H]1CCC[NH2+]C1 ZINC001217859771 941024662 /nfs/dbraw/zinc/02/46/62/941024662.db2.gz GURKTYCAVCGAHI-SNVBAGLBSA-N 1 0 294.307 1.650 20 5 CDBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218179890 941042287 /nfs/dbraw/zinc/04/22/87/941042287.db2.gz SDTIGTXUJKDHGH-ZETCQYMHSA-N 1 0 298.211 1.152 20 5 CDBDRO O=[N+]([O-])c1cccc2oc(O[C@@H]3CCC[NH2+]C3)nc21 ZINC001218281841 941050504 /nfs/dbraw/zinc/05/05/04/941050504.db2.gz LAIDGLGMSMZXKU-MRVPVSSYSA-N 1 0 263.253 1.867 20 5 CDBDRO [NH3+]CCNCC(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979872 941296675 /nfs/dbraw/zinc/29/66/75/941296675.db2.gz JTNQAICMRRRTJR-UHFFFAOYSA-N 1 0 295.346 1.270 20 5 CDBDRO COC(=O)c1csc(CO[C@H](C)C[N+](C)(C)C)n1 ZINC001223011586 941649316 /nfs/dbraw/zinc/64/93/16/941649316.db2.gz BBXBVALJMGZNQA-SECBINFHSA-N 1 0 273.378 1.541 20 5 CDBDRO CCOC(=O)c1cc(CO[C@H](C)C[N+](C)(C)C)on1 ZINC001224259837 941734860 /nfs/dbraw/zinc/73/48/60/941734860.db2.gz DMFCLLQTJATGIU-SNVBAGLBSA-N 1 0 271.337 1.463 20 5 CDBDRO C[N+](C)(C)CCCO[C@@H]1[C@H]2C[C@@H]3C(=O)O[C@@H]1[C@H]3C2 ZINC001224618200 941776584 /nfs/dbraw/zinc/77/65/84/941776584.db2.gz DNJNSJGEHIAXEZ-KSSYENDESA-N 1 0 254.350 1.049 20 5 CDBDRO COc1ccc(C)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225322738 941844779 /nfs/dbraw/zinc/84/47/79/941844779.db2.gz IUNXCKQICVNWRS-GFCCVEGCSA-N 1 0 282.360 1.366 20 5 CDBDRO CO[C@@H]1CC[N@H+](CCOc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001225579903 941883252 /nfs/dbraw/zinc/88/32/52/941883252.db2.gz WORTXAGOBIOGDB-LLVKDONJSA-N 1 0 284.287 1.833 20 5 CDBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1[nH]ccc(=O)c1[N+](=O)[O-])C2 ZINC001225661782 941895652 /nfs/dbraw/zinc/89/56/52/941895652.db2.gz PDRAVSVUFMARQK-ILWJIGKKSA-N 1 0 279.296 1.699 20 5 CDBDRO O=[N+]([O-])c1cnc(OC2CC[NH+](C3CC3)CC2)nc1 ZINC001226731876 942058325 /nfs/dbraw/zinc/05/83/25/942058325.db2.gz QVGWNUNOEMRGIE-UHFFFAOYSA-N 1 0 264.285 1.390 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Br)nn1 ZINC001228283712 942290044 /nfs/dbraw/zinc/29/00/44/942290044.db2.gz ZQNMHBZGEUSWCY-QMMMGPOBSA-N 1 0 275.170 1.713 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1cc2oc(=O)ccc2cc1O ZINC001228479921 942326637 /nfs/dbraw/zinc/32/66/37/942326637.db2.gz YTSMLOWAOAYAKW-JTQLQIEISA-O 1 0 278.328 1.972 20 5 CDBDRO CC(C)[N@@H+]1CC[C@H](Oc2cnccc2[N+](=O)[O-])C1 ZINC001228879951 942387466 /nfs/dbraw/zinc/38/74/66/942387466.db2.gz MWJLWKTUCFSWIF-JTQLQIEISA-N 1 0 251.286 1.851 20 5 CDBDRO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@@H](C)C[NH+](C)C ZINC001230246498 942594253 /nfs/dbraw/zinc/59/42/53/942594253.db2.gz MQFMLWPKMYGUKM-VIFPVBQESA-N 1 0 281.312 1.882 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC001231075636 942776949 /nfs/dbraw/zinc/77/69/49/942776949.db2.gz DDZKJMWAYDNOAZ-JTQLQIEISA-N 1 0 262.337 1.340 20 5 CDBDRO C[N@@H+]1CCC[C@]2(CCN(c3cc(N)c([N+](=O)[O-])cn3)C2)C1 ZINC001262697607 943673589 /nfs/dbraw/zinc/67/35/89/943673589.db2.gz SMPXLNCMWNQTKG-AWEZNQCLSA-N 1 0 291.355 1.494 20 5 CDBDRO COC(=O)c1cnc(O[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001233859458 943674619 /nfs/dbraw/zinc/67/46/19/943674619.db2.gz MNLBZBDYIZHLOT-JTQLQIEISA-N 1 0 295.295 1.249 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC001263172485 943774518 /nfs/dbraw/zinc/77/45/18/943774518.db2.gz XFOPRSDCJRPPJW-IUCAKERBSA-N 1 0 295.364 1.878 20 5 CDBDRO C[NH2+]CCCNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001262584110 946737444 /nfs/dbraw/zinc/73/74/44/946737444.db2.gz RAGPUNCMPMTPOV-SNVBAGLBSA-N 1 0 280.328 1.565 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@H]1C[NH3+] ZINC001254538021 947515909 /nfs/dbraw/zinc/51/59/09/947515909.db2.gz MPKSKSHDUCVQGX-AAEUAGOBSA-N 1 0 263.341 1.949 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](C)(O)C1 ZINC001254553828 947526077 /nfs/dbraw/zinc/52/60/77/947526077.db2.gz ZQIUUIKSIBOBNI-BXUZGUMPSA-N 1 0 264.325 1.983 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[N@@H+]2CC[C@H]2C1 ZINC001254568502 947529724 /nfs/dbraw/zinc/52/97/24/947529724.db2.gz GJLARHLDAYNHSZ-OCCSQVGLSA-N 1 0 275.352 1.916 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCCO1)C2 ZINC001254570670 947531077 /nfs/dbraw/zinc/53/10/77/947531077.db2.gz PMXCBISOGLGMCO-JSGCOSHPSA-N 1 0 262.309 1.831 20 5 CDBDRO CC(=O)NC[C@H](C)C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254578149 947534863 /nfs/dbraw/zinc/53/48/63/947534863.db2.gz AQYXLLWYTVTNNP-HZMBPMFUSA-N 1 0 291.351 1.424 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H](CO)c1ccncc1)C2 ZINC001254580568 947537876 /nfs/dbraw/zinc/53/78/76/947537876.db2.gz GNNAVAUMYNWPEM-HOCLYGCPSA-N 1 0 299.330 1.780 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@H]1CO)C2 ZINC001254594584 947546438 /nfs/dbraw/zinc/54/64/38/947546438.db2.gz RSFWVMCOHTVFGX-KGLIPLIRSA-N 1 0 262.309 1.519 20 5 CDBDRO Cc1nnc(C[NH3+])n1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601074 947548861 /nfs/dbraw/zinc/54/88/61/947548861.db2.gz XYIVAYKBRODPJJ-LBPRGKRZSA-N 1 0 273.296 1.293 20 5 CDBDRO C[NH+](C)C1(C)CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254604278 947553062 /nfs/dbraw/zinc/55/30/62/947553062.db2.gz UIQIYPTXACQBIT-CQSZACIVSA-N 1 0 275.352 1.698 20 5 CDBDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254610223 947555852 /nfs/dbraw/zinc/55/58/52/947555852.db2.gz JLKBRCDSMJXYQU-JYJNAYRXSA-N 1 0 287.363 1.840 20 5 CDBDRO COc1cc(N2CCC(NC=[NH2+])CC2)ccc1[N+](=O)[O-] ZINC001256086887 948203990 /nfs/dbraw/zinc/20/39/90/948203990.db2.gz HHYVKWISGIHROQ-UHFFFAOYSA-N 1 0 278.312 1.769 20 5 CDBDRO N[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@H]1F ZINC001246568762 948288157 /nfs/dbraw/zinc/28/81/57/948288157.db2.gz AYWFSTOODOXAEO-RRFJBIMHSA-N 1 0 293.342 1.823 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246664338 948396955 /nfs/dbraw/zinc/39/69/55/948396955.db2.gz YSVOBTOCMRLQHJ-CORIIIEPSA-N 1 0 275.352 1.949 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC001324547587 953434874 /nfs/dbraw/zinc/43/48/74/953434874.db2.gz ABAAAIBLIUNWPW-LLVKDONJSA-N 1 0 271.361 1.375 20 5 CDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC001325871403 954116661 /nfs/dbraw/zinc/11/66/61/954116661.db2.gz NNFBVRZASWRIOG-SYQHCUMBSA-N 1 0 278.308 1.538 20 5 CDBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC001326597854 954448329 /nfs/dbraw/zinc/44/83/29/954448329.db2.gz ILEAISYTKBLGPM-SNVBAGLBSA-N 1 0 292.339 1.508 20 5 CDBDRO Cn1cc([N+](=O)[O-])c(N2CCC23CC[NH+](C)CC3)n1 ZINC001307232124 956383080 /nfs/dbraw/zinc/38/30/80/956383080.db2.gz WXGPYTCRZMNGCH-UHFFFAOYSA-N 1 0 265.317 1.003 20 5 CDBDRO C[NH+](C)CCNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001331301767 956952956 /nfs/dbraw/zinc/95/29/56/956952956.db2.gz FDFGOBYQXWBGLY-UHFFFAOYSA-N 1 0 270.264 1.417 20 5 CDBDRO CCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC001333273120 958201774 /nfs/dbraw/zinc/20/17/74/958201774.db2.gz MUHDABWSTTVIOF-NSHDSACASA-N 1 0 292.339 1.217 20 5 CDBDRO CC(C)(C)[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC001320177646 958990726 /nfs/dbraw/zinc/99/07/26/958990726.db2.gz MLNROJMBYGLPQD-UHFFFAOYSA-N 1 0 265.317 1.305 20 5 CDBDRO CC[C@@H](C)[N@H+](C)CCNc1cc(N)c([N+](=O)[O-])cn1 ZINC001337837116 961460689 /nfs/dbraw/zinc/46/06/89/961460689.db2.gz PBKSKHNJHFCZCO-SECBINFHSA-N 1 0 267.333 1.714 20 5 CDBDRO C[C@@H](Nc1ccnc(F)c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001339815413 962553229 /nfs/dbraw/zinc/55/32/29/962553229.db2.gz MNANUWHJJVYHFQ-KOLCDFICSA-N 1 0 297.334 1.175 20 5 CDBDRO C[C@H]([NH3+])CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001342518981 963757728 /nfs/dbraw/zinc/75/77/28/963757728.db2.gz QLAQUNIHFGKNCJ-IUCAKERBSA-N 1 0 251.286 1.509 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC001342649259 963787535 /nfs/dbraw/zinc/78/75/35/963787535.db2.gz OETGCPPDHIEOKS-NEPJUHHUSA-N 1 0 291.351 1.960 20 5 CDBDRO O=C(N[C@H]1CC[NH2+]C1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001343999710 964206225 /nfs/dbraw/zinc/20/62/25/964206225.db2.gz JOFXKDCFSMCCLQ-UHTWSYAYSA-N 1 0 275.308 1.176 20 5 CDBDRO C[C@](O)(C[NH2+]CCNc1ccccc1[N+](=O)[O-])C(F)F ZINC001353272463 967844174 /nfs/dbraw/zinc/84/41/74/967844174.db2.gz JBOSPQKAGXNICR-LBPRGKRZSA-N 1 0 289.282 1.612 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1CC=CC1 ZINC001356534070 969420535 /nfs/dbraw/zinc/42/05/35/969420535.db2.gz VPTTVNGYSGKWKS-LBPRGKRZSA-N 1 0 278.308 1.643 20 5 CDBDRO COc1ccc(C(=O)N2CC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC001523026765 970635051 /nfs/dbraw/zinc/63/50/51/970635051.db2.gz CZVHTAUIGJTTJZ-SNVBAGLBSA-N 1 0 293.323 1.414 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000089091547 1173979067 /nfs/dbraw/zinc/97/90/67/1173979067.db2.gz XVUIINYJSCHJPY-SKDRFNHKSA-N 1 0 278.312 1.844 20 5 CDBDRO CCCN(c1cc(C)c([N+](=O)[O-])cn1)[C@H]1CC[NH2+]C1 ZINC000092027688 1174353195 /nfs/dbraw/zinc/35/31/95/1174353195.db2.gz JWBSDYZRWMVJIO-NSHDSACASA-N 1 0 264.329 1.877 20 5 CDBDRO COc1cc(C(=O)N(C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000107840699 342492842 /nfs/dbraw/zinc/49/28/42/342492842.db2.gz KKIANQKFRIINTC-UHFFFAOYSA-N 1 0 267.285 1.024 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000590402544 342543889 /nfs/dbraw/zinc/54/38/89/342543889.db2.gz DCXOFGHWZGVFPW-YPMHNXCESA-N 1 0 291.351 1.688 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@]2(O)CCSC2)cc1 ZINC000590594257 342579157 /nfs/dbraw/zinc/57/91/57/342579157.db2.gz OQPIZFXKESLSPA-CYBMUJFWSA-N 1 0 282.365 1.595 20 5 CDBDRO O=[N+]([O-])c1cccc(-c2ncn(CC3CC[NH2+]CC3)n2)c1 ZINC000122458876 342064643 /nfs/dbraw/zinc/06/46/43/342064643.db2.gz HQKJTGVUXHRNDL-UHFFFAOYSA-N 1 0 287.323 1.853 20 5 CDBDRO COc1ccc(NC(=O)C[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000136477452 342071472 /nfs/dbraw/zinc/07/14/72/342071472.db2.gz PKKOZFGOVUUASV-UHFFFAOYSA-N 1 0 267.285 1.540 20 5 CDBDRO CCNC(=O)CN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000048610532 342138617 /nfs/dbraw/zinc/13/86/17/342138617.db2.gz IWGIYRBPDMGWNG-UHFFFAOYSA-N 1 0 281.312 1.042 20 5 CDBDRO COc1cc(C[NH2+][C@@H]2CO[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000592379621 342687169 /nfs/dbraw/zinc/68/71/69/342687169.db2.gz RMTOEKGZCAPTCT-WPRPVWTQSA-N 1 0 282.296 1.576 20 5 CDBDRO CC1([NH3+])CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000592543443 342708823 /nfs/dbraw/zinc/70/88/23/342708823.db2.gz BEFTXBNTWMRMJU-UHFFFAOYSA-N 1 0 281.287 1.687 20 5 CDBDRO [NH3+]CCN(Cc1ccc(CO)o1)c1ccccc1[N+](=O)[O-] ZINC000289909818 361893008 /nfs/dbraw/zinc/89/30/08/361893008.db2.gz UXNZZPJWYSIZFN-UHFFFAOYSA-N 1 0 291.307 1.645 20 5 CDBDRO CC(=O)Nc1ccc(C2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592988570 342751631 /nfs/dbraw/zinc/75/16/31/342751631.db2.gz KDAHDWLSTKITHG-UHFFFAOYSA-N 1 0 261.281 1.930 20 5 CDBDRO C[NH2+]CCN(C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000070304351 361918433 /nfs/dbraw/zinc/91/84/33/361918433.db2.gz LAVKMBVZHQDVFB-UHFFFAOYSA-N 1 0 253.302 1.255 20 5 CDBDRO C[C@H]([NH2+][C@@H](CO)CCF)c1ccc([N+](=O)[O-])cc1 ZINC000593719401 342828821 /nfs/dbraw/zinc/82/88/21/342828821.db2.gz XMYVEEWEYRXGQC-GXSJLCMTSA-N 1 0 256.277 1.966 20 5 CDBDRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000125499138 187187721 /nfs/dbraw/zinc/18/77/21/187187721.db2.gz XMDVWCPTQKOODQ-MGNBDDOMSA-N 1 0 270.354 1.842 20 5 CDBDRO CO[C@@H](C[NH3+])C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000290011629 361971414 /nfs/dbraw/zinc/97/14/14/361971414.db2.gz QGNLKLCDRSENPJ-CABZTGNLSA-N 1 0 281.312 1.054 20 5 CDBDRO O=C(NCCC1CC[NH2+]CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000593918817 342851411 /nfs/dbraw/zinc/85/14/11/342851411.db2.gz JXKDJPOZSHQQEY-UHFFFAOYSA-N 1 0 266.301 1.042 20 5 CDBDRO CC[NH+](CC)CCCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266006609 539051852 /nfs/dbraw/zinc/05/18/52/539051852.db2.gz GGXUKWILFPXKLQ-UHFFFAOYSA-N 1 0 293.367 1.985 20 5 CDBDRO CO[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000600761970 342247855 /nfs/dbraw/zinc/24/78/55/342247855.db2.gz UJVAEHNIVRBGJV-XYPYZODXSA-N 1 0 293.323 1.690 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)nc1 ZINC000594600457 342929840 /nfs/dbraw/zinc/92/98/40/342929840.db2.gz LIWFZFLZYRDBSJ-NWDGAFQWSA-N 1 0 277.328 1.814 20 5 CDBDRO Cc1cccc(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000127802747 342285411 /nfs/dbraw/zinc/28/54/11/342285411.db2.gz NXOHGBJRRRRYCS-ZYHUDNBSSA-N 1 0 293.323 1.091 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H](O)C2)cc1 ZINC000055897518 349702107 /nfs/dbraw/zinc/70/21/07/349702107.db2.gz IWATYIQITLFUIQ-CYBMUJFWSA-N 1 0 280.324 1.820 20 5 CDBDRO CN(CC[NH3+])Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000126003508 187210029 /nfs/dbraw/zinc/21/00/29/187210029.db2.gz QXPALYFTWJDPFN-UHFFFAOYSA-N 1 0 288.145 1.748 20 5 CDBDRO COC[C@H](CCO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595010586 342990286 /nfs/dbraw/zinc/99/02/86/342990286.db2.gz VFLYWXNKHPZKNT-MNOVXSKESA-N 1 0 298.339 1.651 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000595233568 343016617 /nfs/dbraw/zinc/01/66/17/343016617.db2.gz QNQPPYBKSDYHSK-SNVBAGLBSA-N 1 0 280.328 1.941 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000595232893 343016697 /nfs/dbraw/zinc/01/66/97/343016697.db2.gz DBSQSDMTIULZIA-SECBINFHSA-N 1 0 266.301 1.633 20 5 CDBDRO Cc1noc(CN2CC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000595305746 343031164 /nfs/dbraw/zinc/03/11/64/343031164.db2.gz JVRSMAIZNFBPSM-NSHDSACASA-N 1 0 280.328 1.561 20 5 CDBDRO CC[C@H](C)C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075721061 342312720 /nfs/dbraw/zinc/31/27/20/342312720.db2.gz NRYAYJNGYCDQOD-JQWIXIFHSA-N 1 0 270.333 1.130 20 5 CDBDRO Cc1noc(CN2CCC[C@]2(C)CO)c1[N+](=O)[O-] ZINC000595437825 343060768 /nfs/dbraw/zinc/06/07/68/343060768.db2.gz JZRMPDJODMPHGT-LLVKDONJSA-N 1 0 255.274 1.238 20 5 CDBDRO CC[C@@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000078524340 342337919 /nfs/dbraw/zinc/33/79/19/342337919.db2.gz RUHPYONNUBIAFY-LBPRGKRZSA-N 1 0 279.340 1.488 20 5 CDBDRO [NH3+]Cc1nccn1CCOc1ccc([N+](=O)[O-])cc1 ZINC000600966518 342354743 /nfs/dbraw/zinc/35/47/43/342354743.db2.gz PMTCPXIUZKAAMJ-UHFFFAOYSA-N 1 0 262.269 1.329 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000595981212 343210449 /nfs/dbraw/zinc/21/04/49/343210449.db2.gz BFAJQKJFTIZPFK-SNVBAGLBSA-N 1 0 265.313 1.252 20 5 CDBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000595982372 343210670 /nfs/dbraw/zinc/21/06/70/343210670.db2.gz JFOKQYDMXADKLQ-MRVPVSSYSA-N 1 0 283.353 1.654 20 5 CDBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)C[NH+](C)C ZINC000596238409 343283503 /nfs/dbraw/zinc/28/35/03/343283503.db2.gz RUXLJKNSHGLTHE-VIFPVBQESA-N 1 0 280.328 1.303 20 5 CDBDRO C[NH+](C)C[C@@H](CO)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000596242345 343285013 /nfs/dbraw/zinc/28/50/13/343285013.db2.gz FAFXERGWRSAPMY-JTQLQIEISA-N 1 0 290.323 1.477 20 5 CDBDRO O=[N+]([O-])c1cncc(Cl)c1NCCN1CCC1 ZINC000596174215 343260179 /nfs/dbraw/zinc/26/01/79/343260179.db2.gz CPYWJEGQXYEFBJ-UHFFFAOYSA-N 1 0 256.693 1.183 20 5 CDBDRO CC[C@@H](C)[NH+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596259200 343277550 /nfs/dbraw/zinc/27/75/50/343277550.db2.gz UOSFHFPKEDVOKB-SNVBAGLBSA-N 1 0 280.328 1.616 20 5 CDBDRO CN(CCC[NH+]1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000091483124 342404546 /nfs/dbraw/zinc/40/45/46/342404546.db2.gz SQQXEVHFDDKYPC-UHFFFAOYSA-N 1 0 292.383 1.669 20 5 CDBDRO CCc1nn(C)c(N2CC[C@@H]([NH+](CC)CC)C2)c1[N+](=O)[O-] ZINC000091728522 342406856 /nfs/dbraw/zinc/40/68/56/342406856.db2.gz BPINMMKHPYQHFT-LLVKDONJSA-N 1 0 295.387 1.811 20 5 CDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCNc1cnccn1 ZINC000573815339 362187206 /nfs/dbraw/zinc/18/72/06/362187206.db2.gz OUNYEYQHQDOEAK-CYBMUJFWSA-N 1 0 299.334 1.496 20 5 CDBDRO CCn1nncc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000580300490 365743065 /nfs/dbraw/zinc/74/30/65/365743065.db2.gz TUSMOMVYNDVVHD-UHFFFAOYSA-N 1 0 291.311 1.375 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCN(CCCO)C2)cc1 ZINC000295047074 199318401 /nfs/dbraw/zinc/31/84/01/199318401.db2.gz FMSSAMFGXIOTIF-AWEZNQCLSA-N 1 0 293.367 1.531 20 5 CDBDRO COc1c(C(=O)NCC[C@@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000597993672 343683467 /nfs/dbraw/zinc/68/34/67/343683467.db2.gz VGPIKLGQIJOGFC-SNVBAGLBSA-N 1 0 295.339 1.673 20 5 CDBDRO Cc1nc(N(CC[NH+](C)C)C(C)C)ncc1[N+](=O)[O-] ZINC000295082205 199335872 /nfs/dbraw/zinc/33/58/72/199335872.db2.gz RJIMNZUVEVSXAA-UHFFFAOYSA-N 1 0 267.333 1.470 20 5 CDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 ZINC000598668060 343871241 /nfs/dbraw/zinc/87/12/41/343871241.db2.gz OVIYKTMVPGJONB-PELKAZGASA-N 1 0 265.269 1.141 20 5 CDBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000598916418 343920076 /nfs/dbraw/zinc/92/00/76/343920076.db2.gz YKGHMLHUXKWDNR-QMMMGPOBSA-N 1 0 282.275 1.560 20 5 CDBDRO CCC(CC)[NH2+]CCNc1c([N+](=O)[O-])c(C)nn1C ZINC000599097908 343954120 /nfs/dbraw/zinc/95/41/20/343954120.db2.gz MUTIINQQESCTRJ-UHFFFAOYSA-N 1 0 269.349 1.827 20 5 CDBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000342997430 362284745 /nfs/dbraw/zinc/28/47/45/362284745.db2.gz FUALUFYEVRZOJS-RISCZKNCSA-N 1 0 291.351 1.451 20 5 CDBDRO COC[C@@H](O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000231604227 362329019 /nfs/dbraw/zinc/32/90/19/362329019.db2.gz CLZOAXXMPIDAHH-LBPRGKRZSA-N 1 0 254.286 1.082 20 5 CDBDRO CC[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000600003492 344163614 /nfs/dbraw/zinc/16/36/14/344163614.db2.gz YMLDKWJIOGTOFG-SECBINFHSA-N 1 0 251.286 1.840 20 5 CDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3c(F)cccc3[N+](=O)[O-])C[C@H]2C1 ZINC000601537247 344185792 /nfs/dbraw/zinc/18/57/92/344185792.db2.gz ASDUMANZGICGSP-AOOOYVTPSA-N 1 0 293.298 1.368 20 5 CDBDRO CC[NH2+][C@@H](C)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000602444297 344431152 /nfs/dbraw/zinc/43/11/52/344431152.db2.gz FNGTYQIYGBIFFX-VIFPVBQESA-N 1 0 281.312 1.218 20 5 CDBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000602597423 344503381 /nfs/dbraw/zinc/50/33/81/344503381.db2.gz CMTPHDLTVNNIJI-ONGXEEELSA-N 1 0 263.297 1.085 20 5 CDBDRO COc1cc(C(=O)N2C[C@H]([NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000602597571 344503510 /nfs/dbraw/zinc/50/35/10/344503510.db2.gz VKMDSMXCUGVVTH-PSASIEDQSA-N 1 0 279.296 1.165 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602486878 344450015 /nfs/dbraw/zinc/45/00/15/344450015.db2.gz WSCVAIAYHMHICY-UHFFFAOYSA-N 1 0 269.276 1.463 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000602492573 344450773 /nfs/dbraw/zinc/45/07/73/344450773.db2.gz MXBOIVFGAZMYNR-RKDXNWHRSA-N 1 0 281.287 1.604 20 5 CDBDRO Cc1ccc(C(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000602532506 344469888 /nfs/dbraw/zinc/46/98/88/344469888.db2.gz YAENPANLDJWGQQ-CQSZACIVSA-N 1 0 291.351 1.973 20 5 CDBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000602532559 344470090 /nfs/dbraw/zinc/47/00/90/344470090.db2.gz YFVLIFSDIQAERA-SECBINFHSA-N 1 0 267.285 1.258 20 5 CDBDRO O=C(N[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000052092983 362401243 /nfs/dbraw/zinc/40/12/43/362401243.db2.gz MIIXNHUDBCAQSK-MRVPVSSYSA-N 1 0 269.688 1.340 20 5 CDBDRO CC[C@@H]1C[N@H+](C)CCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602832531 344614863 /nfs/dbraw/zinc/61/48/63/344614863.db2.gz OZJPJAKQAVRAFZ-GFCCVEGCSA-N 1 0 281.360 1.126 20 5 CDBDRO COC[C@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602836875 344619104 /nfs/dbraw/zinc/61/91/04/344619104.db2.gz HVQKMQHXCNQIFI-GFCCVEGCSA-N 1 0 282.344 1.601 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCSC[C@H]1C1CC1 ZINC000602839193 344620673 /nfs/dbraw/zinc/62/06/73/344620673.db2.gz IYUXJKRIGFBHGT-LBPRGKRZSA-N 1 0 296.396 1.927 20 5 CDBDRO COCCCC[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602845582 344623681 /nfs/dbraw/zinc/62/36/81/344623681.db2.gz KRIXTDCNLAVMFJ-UHFFFAOYSA-N 1 0 270.333 1.458 20 5 CDBDRO CC[C@@](C)([NH3+])c1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000603203292 344734710 /nfs/dbraw/zinc/73/47/10/344734710.db2.gz NDKMCLHFUIMHKL-CYBMUJFWSA-N 1 0 293.302 1.958 20 5 CDBDRO CC1(F)CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000602993039 344682595 /nfs/dbraw/zinc/68/25/95/344682595.db2.gz NYUDABZTLKUGOM-UHFFFAOYSA-N 1 0 283.303 1.581 20 5 CDBDRO CC(C)[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000603847668 344839741 /nfs/dbraw/zinc/83/97/41/344839741.db2.gz LERPXCSZRLGTKS-UHFFFAOYSA-N 1 0 250.302 1.520 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@H](C)O ZINC000304114032 344897402 /nfs/dbraw/zinc/89/74/02/344897402.db2.gz HHAVLNGEAXCKKD-JTQLQIEISA-N 1 0 268.313 1.854 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)C2CCC2)cc1 ZINC000316462484 344952779 /nfs/dbraw/zinc/95/27/79/344952779.db2.gz SAXDPGXZCPRIRF-AWEZNQCLSA-N 1 0 264.325 1.888 20 5 CDBDRO COCC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccco1 ZINC000273231118 192082486 /nfs/dbraw/zinc/08/24/86/192082486.db2.gz FSNCGTDBCBBLMN-LLVKDONJSA-N 1 0 294.311 1.752 20 5 CDBDRO [NH3+][C@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000050244299 344996502 /nfs/dbraw/zinc/99/65/02/344996502.db2.gz BZXBJKDCFIWUOX-ZETCQYMHSA-N 1 0 287.117 1.290 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)C(=O)N(C)C ZINC000542704986 362589368 /nfs/dbraw/zinc/58/93/68/362589368.db2.gz JASOJXPCUVSKLH-UHFFFAOYSA-N 1 0 279.340 1.860 20 5 CDBDRO CC(C)[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075747773 345609182 /nfs/dbraw/zinc/60/91/82/345609182.db2.gz BQTXWKJPFQREOY-KBPBESRZSA-N 1 0 296.371 1.663 20 5 CDBDRO COc1cc(NC[C@@](C)(O)C[NH+](C)C)c([N+](=O)[O-])cc1C ZINC000314742675 346038463 /nfs/dbraw/zinc/03/84/63/346038463.db2.gz LOOIWOPQGPDPCM-CQSZACIVSA-N 1 0 297.355 1.636 20 5 CDBDRO CCn1c(CC[NH3+])nnc1Sc1cccnc1[N+](=O)[O-] ZINC000610541740 346308209 /nfs/dbraw/zinc/30/82/09/346308209.db2.gz FKCXPROHPIGVMQ-UHFFFAOYSA-N 1 0 294.340 1.254 20 5 CDBDRO CCOC(=O)c1cc(N2CC([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000273284665 192100015 /nfs/dbraw/zinc/10/00/15/192100015.db2.gz JKKSPGADWZFPBN-UHFFFAOYSA-N 1 0 293.323 1.522 20 5 CDBDRO CC[NH+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H](C)C1 ZINC000344420109 362765961 /nfs/dbraw/zinc/76/59/61/362765961.db2.gz JZFZKZYHVDUHOZ-QWRGUYRKSA-N 1 0 294.355 1.488 20 5 CDBDRO CC[N@@H+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000611084658 346604014 /nfs/dbraw/zinc/60/40/14/346604014.db2.gz HXWGTZLVPXHLFO-SNVBAGLBSA-N 1 0 292.339 1.224 20 5 CDBDRO O=[N+]([O-])c1ccn(C2CC[NH+]([C@H]3CCCOC3)CC2)n1 ZINC000618759064 347300542 /nfs/dbraw/zinc/30/05/42/347300542.db2.gz BHTZPJXEGDGGQN-LBPRGKRZSA-N 1 0 280.328 1.607 20 5 CDBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000066923917 347546475 /nfs/dbraw/zinc/54/64/75/347546475.db2.gz XEYGTMRSKHCUCR-UHFFFAOYSA-N 1 0 281.287 1.558 20 5 CDBDRO COc1cc(CN2CCCOCC2)c([N+](=O)[O-])cc1F ZINC000365572624 365912081 /nfs/dbraw/zinc/91/20/81/365912081.db2.gz DQVNJZMFOWBZSU-UHFFFAOYSA-N 1 0 284.287 1.965 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273350930 192122588 /nfs/dbraw/zinc/12/25/88/192122588.db2.gz CKXHIQGRYDPUIO-UHFFFAOYSA-N 1 0 296.302 1.903 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(CO)CCC2)cc1 ZINC000122856462 348423780 /nfs/dbraw/zinc/42/37/80/348423780.db2.gz GNHIOHBUFOFHFL-UHFFFAOYSA-N 1 0 250.298 1.642 20 5 CDBDRO CC[NH+]1CCC(NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000045059334 348768784 /nfs/dbraw/zinc/76/87/84/348768784.db2.gz SKRMUDIIKSOHJP-UHFFFAOYSA-N 1 0 283.353 1.870 20 5 CDBDRO C[N@H+](CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000058857618 348872082 /nfs/dbraw/zinc/87/20/82/348872082.db2.gz AUXDAZRNRLUOIX-RUDMXATFSA-N 1 0 289.335 1.818 20 5 CDBDRO CC(C)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000068916223 349084048 /nfs/dbraw/zinc/08/40/48/349084048.db2.gz AMBOLHMVTADKSO-UHFFFAOYSA-N 1 0 264.329 1.910 20 5 CDBDRO COc1ccc(CN2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000036754060 362944616 /nfs/dbraw/zinc/94/46/16/362944616.db2.gz FURRVSBSCAZTOA-UHFFFAOYSA-N 1 0 265.313 1.527 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091300080 180126679 /nfs/dbraw/zinc/12/66/79/180126679.db2.gz HOYZYCVSABZPKW-LLVKDONJSA-N 1 0 279.296 1.220 20 5 CDBDRO Cc1nn(C)c(NCC2([NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000111221680 350442398 /nfs/dbraw/zinc/44/23/98/350442398.db2.gz GWKLIGDJQCNAHJ-UHFFFAOYSA-N 1 0 281.360 1.923 20 5 CDBDRO Cc1cc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000312093923 350747001 /nfs/dbraw/zinc/74/70/01/350747001.db2.gz DIJJSGVBIPDBTG-NXEZZACHSA-N 1 0 265.288 1.698 20 5 CDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cn[nH]c1 ZINC000619847275 350862513 /nfs/dbraw/zinc/86/25/13/350862513.db2.gz LVDRYUMJLWTGJC-UHFFFAOYSA-N 1 0 260.297 1.992 20 5 CDBDRO CNC(=O)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000111263825 186381955 /nfs/dbraw/zinc/38/19/55/186381955.db2.gz HSAILVNCYLCZPT-LBPRGKRZSA-N 1 0 277.324 1.553 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000156095161 351451359 /nfs/dbraw/zinc/45/13/59/351451359.db2.gz BYCDPVXNUBSGCG-NXEZZACHSA-N 1 0 278.312 1.938 20 5 CDBDRO C[NH+](C)C1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000158328962 188370004 /nfs/dbraw/zinc/37/00/04/188370004.db2.gz XPNKUTDFFRMKCH-UHFFFAOYSA-N 1 0 292.339 1.169 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000293048787 198508924 /nfs/dbraw/zinc/50/89/24/198508924.db2.gz LJRVHYAJYQRKCC-NSHDSACASA-N 1 0 279.340 1.991 20 5 CDBDRO COC[C@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000234825329 358481315 /nfs/dbraw/zinc/48/13/15/358481315.db2.gz OPFHISBCUSNENY-ONGXEEELSA-N 1 0 254.286 1.253 20 5 CDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365374551 363360944 /nfs/dbraw/zinc/36/09/44/363360944.db2.gz MYYXXEISZHLOER-SCZZXKLOSA-N 1 0 281.337 1.480 20 5 CDBDRO O=[N+]([O-])c1ccc(CN2C[C@H]3[C@H](CO)[C@H]3C2)c(F)c1 ZINC000366422822 363387135 /nfs/dbraw/zinc/38/71/35/363387135.db2.gz SDNFQPKYIDYSRD-GDNZZTSVSA-N 1 0 266.272 1.404 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC1CC[NH2+]CC1 ZINC000037116499 363396387 /nfs/dbraw/zinc/39/63/87/363396387.db2.gz ZNVHZFVYWKCYGV-UHFFFAOYSA-N 1 0 263.297 1.006 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000163287957 356166616 /nfs/dbraw/zinc/16/66/16/356166616.db2.gz QGGPZXNKJNMATL-SFYZADRCSA-N 1 0 269.326 1.466 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCC[C@@H]2CCO)c1 ZINC000286121611 356218714 /nfs/dbraw/zinc/21/87/14/356218714.db2.gz MFELCNLFSKZQIL-BYCMXARLSA-N 1 0 294.351 1.769 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCn1cccn1 ZINC000134479846 356321995 /nfs/dbraw/zinc/32/19/95/356321995.db2.gz XVJPUYAVWZSZOC-UHFFFAOYSA-N 1 0 260.297 1.971 20 5 CDBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H]1O ZINC000286470712 356461095 /nfs/dbraw/zinc/46/10/95/356461095.db2.gz KWGFSHSNTMVXFP-ZIAGYGMSSA-N 1 0 280.324 1.819 20 5 CDBDRO CC(C)[N@H+](C)CCCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000226605494 356462388 /nfs/dbraw/zinc/46/23/88/356462388.db2.gz VZBNTQHABXNMLG-UHFFFAOYSA-N 1 0 294.355 1.637 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[NH2+]CC1 ZINC000043570355 356751775 /nfs/dbraw/zinc/75/17/75/356751775.db2.gz WYLUDKYGUWZTMO-UHFFFAOYSA-N 1 0 267.260 1.169 20 5 CDBDRO C[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000163529204 356804391 /nfs/dbraw/zinc/80/43/91/356804391.db2.gz ZURQHJSKDVWTOK-WCBMZHEXSA-N 1 0 283.353 1.713 20 5 CDBDRO C[C@@H]1[NH2+]CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000379494215 357164589 /nfs/dbraw/zinc/16/45/89/357164589.db2.gz MTLSXKKEVVAVDV-MVSYMCDOSA-N 1 0 289.335 1.817 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H]1C ZINC000379469199 357122777 /nfs/dbraw/zinc/12/27/77/357122777.db2.gz NTHXUZSGUNWDLD-BDAKNGLRSA-N 1 0 281.287 1.556 20 5 CDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)C[NH+](C)C ZINC000341284327 357220349 /nfs/dbraw/zinc/22/03/49/357220349.db2.gz LGDSNCDEQAVXAV-MRVPVSSYSA-N 1 0 255.274 1.115 20 5 CDBDRO COC(=O)N1CC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181473864 357351247 /nfs/dbraw/zinc/35/12/47/357351247.db2.gz DSQKJBLHBYULHI-VIFPVBQESA-N 1 0 279.296 1.696 20 5 CDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccn1 ZINC000181804502 357381354 /nfs/dbraw/zinc/38/13/54/357381354.db2.gz RHYTZJXMAPOKRX-NSHDSACASA-N 1 0 288.307 1.502 20 5 CDBDRO COCC1=CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000185874396 357586857 /nfs/dbraw/zinc/58/68/57/357586857.db2.gz ODQKGGAPEJQJGD-OAHLLOKOSA-N 1 0 292.335 1.907 20 5 CDBDRO CCc1nn(C)c(NC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000091561879 357718905 /nfs/dbraw/zinc/71/89/05/357718905.db2.gz DHTPIOVYXDSSIS-SNVBAGLBSA-N 1 0 281.360 1.644 20 5 CDBDRO CCN(C)C(=O)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000186811421 357694901 /nfs/dbraw/zinc/69/49/01/357694901.db2.gz QHQLLBFQJYCSCH-GFCCVEGCSA-N 1 0 293.367 1.984 20 5 CDBDRO C[NH2+]CCCN(C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000127232126 358011012 /nfs/dbraw/zinc/01/10/12/358011012.db2.gz VWRBGJZXPLFZJC-UHFFFAOYSA-N 1 0 280.328 1.075 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000286893929 358024802 /nfs/dbraw/zinc/02/48/02/358024802.db2.gz GLXYVNBEMXQKGN-JTQLQIEISA-N 1 0 295.339 1.673 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000127290685 358081644 /nfs/dbraw/zinc/08/16/44/358081644.db2.gz VQNJSSLAUXJAHK-NXEZZACHSA-N 1 0 250.302 1.472 20 5 CDBDRO C[C@@H](O)C[N@@H+]1CCN(c2cccc(F)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000192796331 358236593 /nfs/dbraw/zinc/23/65/93/358236593.db2.gz HDVWKPFMRUIRMG-WDEREUQCSA-N 1 0 297.330 1.625 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000361658707 358408330 /nfs/dbraw/zinc/40/83/30/358408330.db2.gz GHIKOVGPLZZBOO-WCQYABFASA-N 1 0 264.325 1.963 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(OCCO)CC2)cc1 ZINC000135388408 358401896 /nfs/dbraw/zinc/40/18/96/358401896.db2.gz PJGPCMYRGODQPH-UHFFFAOYSA-N 1 0 294.351 1.611 20 5 CDBDRO COc1ccc(C[NH2+][C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000294934138 199258142 /nfs/dbraw/zinc/25/81/42/199258142.db2.gz UROFIIHRBVTJRP-AOOOYVTPSA-N 1 0 252.270 1.216 20 5 CDBDRO C[C@H](NC(=O)N(C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000176241450 358746044 /nfs/dbraw/zinc/74/60/44/358746044.db2.gz GAWMNLKAQAFBDC-NSHDSACASA-N 1 0 294.355 1.859 20 5 CDBDRO CC1(C)[C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@@H]21 ZINC000176263568 358765815 /nfs/dbraw/zinc/76/58/15/358765815.db2.gz CMAOZAUFKAEFOT-AOOOYVTPSA-N 1 0 250.302 1.379 20 5 CDBDRO CCOC(=O)[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176189979 358731288 /nfs/dbraw/zinc/73/12/88/358731288.db2.gz QSQUJBPBXPMBEO-NSHDSACASA-N 1 0 296.327 1.066 20 5 CDBDRO CC[NH2+]CCCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000567885502 358742997 /nfs/dbraw/zinc/74/29/97/358742997.db2.gz WRQUAHNLMGYLTN-UHFFFAOYSA-N 1 0 295.339 1.480 20 5 CDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000185187208 358777356 /nfs/dbraw/zinc/77/73/56/358777356.db2.gz LFBKGCJQFDMIPO-JHJVBQTASA-N 1 0 289.335 1.333 20 5 CDBDRO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000351756690 358961609 /nfs/dbraw/zinc/96/16/09/358961609.db2.gz LLQLJMKJVBVCJF-MFKMUULPSA-N 1 0 250.298 1.450 20 5 CDBDRO Cc1ccc(C[N@H+](C)CCN2CCOCC2)cc1[N+](=O)[O-] ZINC000092974750 359049203 /nfs/dbraw/zinc/04/92/03/359049203.db2.gz AMVGJFNSNWDKNW-UHFFFAOYSA-N 1 0 293.367 1.667 20 5 CDBDRO Cc1c(C(=O)N[C@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000087383465 359032098 /nfs/dbraw/zinc/03/20/98/359032098.db2.gz SKEDHAYCARTSPG-LLVKDONJSA-N 1 0 263.297 1.370 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000450787385 359003475 /nfs/dbraw/zinc/00/34/75/359003475.db2.gz FYDZVHNNKKPXMV-BETUJISGSA-N 1 0 293.367 1.795 20 5 CDBDRO CCC[C@H]([NH3+])C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000353085599 359143090 /nfs/dbraw/zinc/14/30/90/359143090.db2.gz HZDRBPMRRLPVEP-LBPRGKRZSA-N 1 0 280.328 1.250 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000127587647 359152309 /nfs/dbraw/zinc/15/23/09/359152309.db2.gz FMRBLEFUAIVLBC-NEPJUHHUSA-N 1 0 289.335 1.870 20 5 CDBDRO CC[N@@H+]1CC[C@H](N(C)CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000357957563 359158591 /nfs/dbraw/zinc/15/85/91/359158591.db2.gz ISPDZAUAALZIMK-STQMWFEESA-N 1 0 295.387 1.596 20 5 CDBDRO Cc1nccn1CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015688 359276076 /nfs/dbraw/zinc/27/60/76/359276076.db2.gz RIDQYUZINSCMPV-UHFFFAOYSA-N 1 0 260.297 1.890 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000154180379 237030671 /nfs/dbraw/zinc/03/06/71/237030671.db2.gz BBIFWOZORYEGJW-UWVGGRQHSA-N 1 0 293.323 1.426 20 5 CDBDRO Cc1nc(N2CC[C@H](C[NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000296943509 200041886 /nfs/dbraw/zinc/04/18/86/200041886.db2.gz BTOYPPJYFVHTGB-GFCCVEGCSA-N 1 0 291.355 1.615 20 5 CDBDRO Cc1c(C(=O)N2CCC([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000033439596 359699366 /nfs/dbraw/zinc/69/93/66/359699366.db2.gz RPTFOSPFFFTWQQ-UHFFFAOYSA-N 1 0 263.297 1.467 20 5 CDBDRO CCC[N@H+](CC)CCNc1ncc([N+](=O)[O-])c(C)n1 ZINC000297604384 200239612 /nfs/dbraw/zinc/23/96/12/200239612.db2.gz VEWLDDWJERQBTM-UHFFFAOYSA-N 1 0 267.333 1.837 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)[NH+](C)C ZINC000298154369 200346517 /nfs/dbraw/zinc/34/65/17/200346517.db2.gz JVPRYDSYSSKGPP-UHFFFAOYSA-N 1 0 279.340 1.973 20 5 CDBDRO O=C(NCC[NH2+]C1CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000054266149 360065840 /nfs/dbraw/zinc/06/58/40/360065840.db2.gz SBJTVYXXACKGGZ-UHFFFAOYSA-N 1 0 264.285 1.468 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235438361 360115695 /nfs/dbraw/zinc/11/56/95/360115695.db2.gz WNNOINZGIRVKKO-BKVNPXPRSA-N 1 0 289.335 1.865 20 5 CDBDRO CNC(=O)CC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177043834 189023600 /nfs/dbraw/zinc/02/36/00/189023600.db2.gz LAGOQGLNFYXFIV-UHFFFAOYSA-N 1 0 292.295 1.304 20 5 CDBDRO C[N@@H+]1CCC[C@H]2CN(CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000248168564 360426866 /nfs/dbraw/zinc/42/68/66/360426866.db2.gz UGCLHGDHCKRMPS-GXTWGEPZSA-N 1 0 293.371 1.207 20 5 CDBDRO CC(C)[C@H]([NH3+])C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000177942359 189080560 /nfs/dbraw/zinc/08/05/60/189080560.db2.gz BFJZHFPSSYDDIP-LBPRGKRZSA-N 1 0 280.328 1.106 20 5 CDBDRO [NH3+]C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000178534644 189125099 /nfs/dbraw/zinc/12/50/99/189125099.db2.gz DGWPRWLHKKHOJA-MRVPVSSYSA-N 1 0 283.715 1.669 20 5 CDBDRO Cc1sc(C(=O)NC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000178758145 189143632 /nfs/dbraw/zinc/14/36/32/189143632.db2.gz FZPJQLSKZBUYAK-QMMMGPOBSA-N 1 0 269.326 1.447 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC1=CC[N@H+](C)CC1 ZINC000289759635 360945542 /nfs/dbraw/zinc/94/55/42/360945542.db2.gz VLFPIODIVUFDNT-UHFFFAOYSA-N 1 0 279.344 1.793 20 5 CDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000053202046 361203560 /nfs/dbraw/zinc/20/35/60/361203560.db2.gz KXZDRMBBLSNGDD-LLVKDONJSA-N 1 0 277.324 1.727 20 5 CDBDRO CN(C(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000053245474 361395545 /nfs/dbraw/zinc/39/55/45/361395545.db2.gz CFRWDZYADSQQBI-LLVKDONJSA-N 1 0 295.314 1.900 20 5 CDBDRO COc1cc(C(=O)N[C@]2(C)CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000168902906 361580423 /nfs/dbraw/zinc/58/04/23/361580423.db2.gz OJOXXSHAAYOLBY-CYBMUJFWSA-N 1 0 279.296 1.085 20 5 CDBDRO C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000293436914 239278913 /nfs/dbraw/zinc/27/89/13/239278913.db2.gz OHQTXABUGAYGDA-ZOWXZIJZSA-N 1 0 293.367 1.653 20 5 CDBDRO CCN(CCO)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000267971312 363979072 /nfs/dbraw/zinc/97/90/72/363979072.db2.gz GHPIULTZVHNRML-SNVBAGLBSA-N 1 0 281.312 1.236 20 5 CDBDRO C[NH2+]CCCC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000237150280 364073729 /nfs/dbraw/zinc/07/37/29/364073729.db2.gz KLCMCMHMNSRQNK-UHFFFAOYSA-N 1 0 279.340 1.946 20 5 CDBDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000038013914 364237667 /nfs/dbraw/zinc/23/76/67/364237667.db2.gz OZSVZQIRVGUUQE-NSHDSACASA-N 1 0 279.340 1.989 20 5 CDBDRO C[C@@](C[NH3+])(NC(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000148938295 364527162 /nfs/dbraw/zinc/52/71/62/364527162.db2.gz HZDPINPVXLESPS-NSHDSACASA-N 1 0 269.326 1.514 20 5 CDBDRO O=[N+]([O-])c1cnn(CCN2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000174871564 364586700 /nfs/dbraw/zinc/58/67/00/364586700.db2.gz VYZPDQIFJIZFKW-ZDUSSCGKSA-N 1 0 293.371 1.209 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000168686623 370795308 /nfs/dbraw/zinc/79/53/08/370795308.db2.gz WJJTTZODTVYFGO-QMMMGPOBSA-N 1 0 285.731 1.928 20 5 CDBDRO C[C@H](O)C[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CCCCC1 ZINC000355961410 365390178 /nfs/dbraw/zinc/39/01/78/365390178.db2.gz VNEDPRVAIXUIJY-NSHDSACASA-N 1 0 296.371 1.844 20 5 CDBDRO C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094339524 367062617 /nfs/dbraw/zinc/06/26/17/367062617.db2.gz SWXUKJSNEYTDMV-JQWIXIFHSA-N 1 0 277.324 1.333 20 5 CDBDRO [NH3+]C[C@@H](NCc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000414798488 241394334 /nfs/dbraw/zinc/39/43/34/241394334.db2.gz JIWHYUHXJQHTBO-GFCCVEGCSA-N 1 0 253.277 1.561 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000161112525 367123283 /nfs/dbraw/zinc/12/32/83/367123283.db2.gz QQIOBUJHWGJKHA-ZJUUUORDSA-N 1 0 281.287 1.734 20 5 CDBDRO [NH3+]CC[C@@H](NCc1ccc([N+](=O)[O-])cc1F)C(F)F ZINC000414991881 241505030 /nfs/dbraw/zinc/50/50/30/241505030.db2.gz PXNUNVGDADVKTQ-SNVBAGLBSA-N 1 0 277.246 1.806 20 5 CDBDRO [NH3+][C@H](CNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C1CC1 ZINC001580130260 1172355867 /nfs/dbraw/zinc/35/58/67/1172355867.db2.gz OTLRHLRJJCBJJO-SNVBAGLBSA-N 1 0 282.275 1.593 20 5 CDBDRO CNC(=O)CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282550714 367938259 /nfs/dbraw/zinc/93/82/59/367938259.db2.gz XDNHKGKKXDHYNI-UHFFFAOYSA-N 1 0 265.313 1.205 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418392541 243023323 /nfs/dbraw/zinc/02/33/23/243023323.db2.gz ZPETXYRQICFNMF-GFCCVEGCSA-N 1 0 292.339 1.488 20 5 CDBDRO [NH3+]C[C@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420177757 243904125 /nfs/dbraw/zinc/90/41/25/243904125.db2.gz ZHSRCSFYLLEYSY-SECBINFHSA-N 1 0 289.295 1.430 20 5 CDBDRO CN(CC[NH3+])c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420288219 244028099 /nfs/dbraw/zinc/02/80/99/244028099.db2.gz SMZFAPXJNMKMIN-UHFFFAOYSA-N 1 0 263.257 1.040 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000420294328 244039570 /nfs/dbraw/zinc/03/95/70/244039570.db2.gz ZAUFNRSGWNKEFY-ZJUUUORDSA-N 1 0 250.302 1.341 20 5 CDBDRO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000420405484 244206012 /nfs/dbraw/zinc/20/60/12/244206012.db2.gz SXFLSWUHLCGCKB-NEPJUHHUSA-N 1 0 279.340 1.656 20 5 CDBDRO Cc1nn(C)c(N(C)C[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000420633458 244300010 /nfs/dbraw/zinc/30/00/10/244300010.db2.gz JEKKEBTXJLLTJF-SNVBAGLBSA-N 1 0 267.333 1.167 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+]1C ZINC000330892795 203361183 /nfs/dbraw/zinc/36/11/83/203361183.db2.gz DHIBQFVPSIJDHX-RKDXNWHRSA-N 1 0 267.285 1.400 20 5 CDBDRO C[C@H](CCC[NH3+])NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000295198935 369620770 /nfs/dbraw/zinc/62/07/70/369620770.db2.gz JXLRTGVPGCKYJO-SNVBAGLBSA-N 1 0 281.312 1.217 20 5 CDBDRO C[NH+](C)[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000170865501 369979507 /nfs/dbraw/zinc/97/95/07/369979507.db2.gz OEMRZMHWTPYCIJ-VIFPVBQESA-N 1 0 269.326 1.432 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH2+]CC1 ZINC000422631656 245143825 /nfs/dbraw/zinc/14/38/25/245143825.db2.gz KRCPNOLMQRDCTH-UHFFFAOYSA-N 1 0 263.297 1.257 20 5 CDBDRO C[NH2+]CCCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000422732526 245190971 /nfs/dbraw/zinc/19/09/71/245190971.db2.gz OWEHYSRHRWHOCF-UHFFFAOYSA-N 1 0 279.340 1.859 20 5 CDBDRO Cc1c(CC(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000422832109 245310717 /nfs/dbraw/zinc/31/07/17/245310717.db2.gz XOKZRQIBCSGUSA-PHIMTYICSA-N 1 0 291.351 1.655 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000422838022 245319409 /nfs/dbraw/zinc/31/94/09/245319409.db2.gz NOVZURZBOTWICU-LLVKDONJSA-N 1 0 291.351 1.954 20 5 CDBDRO Cc1c(CC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000422845667 245325213 /nfs/dbraw/zinc/32/52/13/245325213.db2.gz ONZHSTBLBXPHCF-GXFFZTMASA-N 1 0 291.351 1.641 20 5 CDBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000356655741 372991315 /nfs/dbraw/zinc/99/13/15/372991315.db2.gz XIZIZKZEIAXWAA-SNVBAGLBSA-N 1 0 297.359 1.179 20 5 CDBDRO C[N@@H+]1CCCC[C@@H]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000298505779 373742650 /nfs/dbraw/zinc/74/26/50/373742650.db2.gz KQPKDPGGYLXRNZ-LLVKDONJSA-N 1 0 265.313 1.631 20 5 CDBDRO COCCCNC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000298511698 373744366 /nfs/dbraw/zinc/74/43/66/373744366.db2.gz VICDGYJPMIFXQN-NSHDSACASA-N 1 0 295.339 1.398 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000387683404 373747581 /nfs/dbraw/zinc/74/75/81/373747581.db2.gz SRLHCEFBFHQYGD-ANYFNZRUSA-N 1 0 277.324 1.722 20 5 CDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC3(CC3)CC2)c1 ZINC000368424775 373831342 /nfs/dbraw/zinc/83/13/42/373831342.db2.gz NTNKBIZWLQLRGE-LBPRGKRZSA-N 1 0 280.328 1.028 20 5 CDBDRO COc1ccc(CNC(=O)CC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000277455129 373966239 /nfs/dbraw/zinc/96/62/39/373966239.db2.gz GYPGXMZONKTKDI-VIFPVBQESA-N 1 0 281.312 1.347 20 5 CDBDRO O=C(CC[NH2+]C1CC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668475 374027402 /nfs/dbraw/zinc/02/74/02/374027402.db2.gz CFAVSDHRVVPRLA-UHFFFAOYSA-N 1 0 263.297 1.353 20 5 CDBDRO CSCC[C@@H]([NH3+])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000130963095 374275778 /nfs/dbraw/zinc/27/57/78/374275778.db2.gz WRCIPZFWNQRAGJ-BXKDBHETSA-N 1 0 297.380 1.852 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000114147993 374296436 /nfs/dbraw/zinc/29/64/36/374296436.db2.gz QWAOIHGURWYEPV-LLVKDONJSA-N 1 0 277.324 1.619 20 5 CDBDRO COc1ccc(CN[C@@H](C)[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422949286 374364818 /nfs/dbraw/zinc/36/48/18/374364818.db2.gz UUNQORMQDXQFGP-JQWIXIFHSA-N 1 0 279.340 1.834 20 5 CDBDRO CC1(C)CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000423703292 374393990 /nfs/dbraw/zinc/39/39/90/374393990.db2.gz BVPBSXMHSDXQST-UHFFFAOYSA-N 1 0 278.312 1.001 20 5 CDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000376467970 374559809 /nfs/dbraw/zinc/55/98/09/374559809.db2.gz ICYOAUHQUXVRAO-OAHLLOKOSA-N 1 0 292.335 1.820 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CC[NH3+] ZINC000423997179 246279660 /nfs/dbraw/zinc/27/96/60/246279660.db2.gz HNFSPAFYRZOSAC-UHFFFAOYSA-N 1 0 265.313 1.551 20 5 CDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1(CO)CCC1 ZINC000429225319 374575442 /nfs/dbraw/zinc/57/54/42/374575442.db2.gz FARIKPJUZMLOHC-UHFFFAOYSA-N 1 0 264.325 1.984 20 5 CDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000376740496 374569023 /nfs/dbraw/zinc/56/90/23/374569023.db2.gz VRRZZDDBPWCKIZ-GFCCVEGCSA-N 1 0 294.355 1.767 20 5 CDBDRO COCCOC[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296221386 374680218 /nfs/dbraw/zinc/68/02/18/374680218.db2.gz GUJDDVQNBDLYEQ-RISCZKNCSA-N 1 0 298.339 1.269 20 5 CDBDRO C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000094340429 374830869 /nfs/dbraw/zinc/83/08/69/374830869.db2.gz IYCPWIYDFCYMLS-MWLCHTKSSA-N 1 0 263.297 1.404 20 5 CDBDRO CC[NH+]1CCC(N(C)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000330965858 374877420 /nfs/dbraw/zinc/87/74/20/374877420.db2.gz HQIJLYTZSIMEAS-UHFFFAOYSA-N 1 0 281.360 1.207 20 5 CDBDRO CCC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000330996100 374879696 /nfs/dbraw/zinc/87/96/96/374879696.db2.gz MEXMYWJJLKDBRE-UHFFFAOYSA-N 1 0 252.318 1.913 20 5 CDBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331017407 374880028 /nfs/dbraw/zinc/88/00/28/374880028.db2.gz VOUHVPAGMGBSGC-WDEREUQCSA-N 1 0 252.318 1.912 20 5 CDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000331159494 374897930 /nfs/dbraw/zinc/89/79/30/374897930.db2.gz DWUDZMRHTKOEOW-OLZOCXBDSA-N 1 0 291.351 1.908 20 5 CDBDRO CC1(C)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000279807754 374964109 /nfs/dbraw/zinc/96/41/09/374964109.db2.gz PRGGISWNHYLGBS-OLZOCXBDSA-N 1 0 280.324 1.331 20 5 CDBDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000280413547 374996024 /nfs/dbraw/zinc/99/60/24/374996024.db2.gz YQKLTWTWVVVRDI-CYBMUJFWSA-N 1 0 263.297 1.292 20 5 CDBDRO COCC[C@@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000282289310 375077560 /nfs/dbraw/zinc/07/75/60/375077560.db2.gz RAXYSAZQQIMCGS-VIFPVBQESA-N 1 0 260.315 1.143 20 5 CDBDRO C[C@H](O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000282533012 375093231 /nfs/dbraw/zinc/09/32/31/375093231.db2.gz QQKDXPUTLNBSQL-NSHDSACASA-N 1 0 297.330 1.232 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365363758 296226634 /nfs/dbraw/zinc/22/66/34/296226634.db2.gz WYSKUFOAQPUGMD-MFKMUULPSA-N 1 0 275.308 1.419 20 5 CDBDRO CC[C@](C)(O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000161841867 375191346 /nfs/dbraw/zinc/19/13/46/375191346.db2.gz YUARZVCDOASBBU-FZMZJTMJSA-N 1 0 294.355 1.637 20 5 CDBDRO C[C@H](C[NH+](C)C)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000351531490 375304401 /nfs/dbraw/zinc/30/44/01/375304401.db2.gz XHDWYFJAVBEHCV-GHMZBOCLSA-N 1 0 294.355 1.905 20 5 CDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000302838025 375258948 /nfs/dbraw/zinc/25/89/48/375258948.db2.gz PSMODIMTZMIFLM-UHFFFAOYSA-N 1 0 292.339 1.464 20 5 CDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000351938040 375343068 /nfs/dbraw/zinc/34/30/68/375343068.db2.gz WTNIJYUSUPFNAK-STQMWFEESA-N 1 0 293.367 1.998 20 5 CDBDRO CC(C)NC(=O)CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293948884 375460253 /nfs/dbraw/zinc/46/02/53/375460253.db2.gz ZDDZHXQFTCSKAZ-SNVBAGLBSA-N 1 0 294.355 1.742 20 5 CDBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000352770727 375536599 /nfs/dbraw/zinc/53/65/99/375536599.db2.gz TZYWLGMZHKWOJX-ZWNOBZJWSA-N 1 0 280.324 1.806 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[N@@H+](CCCO)C1CC1 ZINC000353565570 375625509 /nfs/dbraw/zinc/62/55/09/375625509.db2.gz GKEWHVNUNONGLD-UHFFFAOYSA-N 1 0 250.298 1.942 20 5 CDBDRO COc1c(C(=O)NCCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000353336882 375599866 /nfs/dbraw/zinc/59/98/66/375599866.db2.gz PAKRFDOKVKYVBK-UHFFFAOYSA-N 1 0 281.312 1.285 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H]3CCC[C@@H]32)n1 ZINC000426459512 247028166 /nfs/dbraw/zinc/02/81/66/247028166.db2.gz KXUIIPFCDLOKGM-MNOVXSKESA-N 1 0 250.302 1.666 20 5 CDBDRO [NH3+]CC[C@H](NC(=O)c1csc([N+](=O)[O-])c1)C(F)F ZINC000383460275 375889874 /nfs/dbraw/zinc/88/98/74/375889874.db2.gz OSAGUMXGCGAGMJ-LURJTMIESA-N 1 0 279.268 1.369 20 5 CDBDRO C[C@H](O)CC[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248372665 376290152 /nfs/dbraw/zinc/29/01/52/376290152.db2.gz BPDWVVPHNSXPMY-NWDGAFQWSA-N 1 0 298.339 1.037 20 5 CDBDRO COc1cc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)ccn1 ZINC000347565010 376410739 /nfs/dbraw/zinc/41/07/39/376410739.db2.gz QFQHEUFVBLRYDD-SNVBAGLBSA-N 1 0 291.311 1.546 20 5 CDBDRO C[NH2+][C@@H](C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000054074575 376575651 /nfs/dbraw/zinc/57/56/51/376575651.db2.gz HBJGKOADKGHKQV-IUCAKERBSA-N 1 0 251.286 1.380 20 5 CDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000189313559 377229120 /nfs/dbraw/zinc/22/91/20/377229120.db2.gz QXTFYOZKNSXHCA-JOYOIKCWSA-N 1 0 263.297 1.465 20 5 CDBDRO Cc1c(NC(=O)C[NH2+]C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000232742152 377414670 /nfs/dbraw/zinc/41/46/70/377414670.db2.gz BGSWDOSOGLZHNJ-LLVKDONJSA-N 1 0 293.323 1.610 20 5 CDBDRO COc1ccc(OCC[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000173506450 378495338 /nfs/dbraw/zinc/49/53/38/378495338.db2.gz UNUSUFYOGQHFRB-UHFFFAOYSA-N 1 0 296.323 1.439 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173731184 378988179 /nfs/dbraw/zinc/98/81/79/378988179.db2.gz HDRLLTVPMLMCDS-UHFFFAOYSA-N 1 0 279.340 1.594 20 5 CDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)C12CCC[NH+]1CCC2 ZINC000278630033 194076146 /nfs/dbraw/zinc/07/61/46/194076146.db2.gz NABFCQBKCZSLHA-UHFFFAOYSA-N 1 0 289.335 1.839 20 5 CDBDRO CNC(=O)c1ccc(NCC[NH+]2CCC2)c([N+](=O)[O-])c1 ZINC000443892005 250061598 /nfs/dbraw/zinc/06/15/98/250061598.db2.gz OZRVOCPTXRMZDI-UHFFFAOYSA-N 1 0 278.312 1.072 20 5 CDBDRO C[C@H](CO)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447548072 250385109 /nfs/dbraw/zinc/38/51/09/250385109.db2.gz FTEUCOGKXQTNER-SRVKXCTJSA-N 1 0 282.344 1.493 20 5 CDBDRO C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447572948 250388381 /nfs/dbraw/zinc/38/83/81/250388381.db2.gz FFZUNMKHAJLXLR-GMTAPVOTSA-N 1 0 268.317 1.245 20 5 CDBDRO CC[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000246210448 379473855 /nfs/dbraw/zinc/47/38/55/379473855.db2.gz NSIBMMSEFUQGKI-MNOVXSKESA-N 1 0 268.317 1.291 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)nc1 ZINC000072089511 285130305 /nfs/dbraw/zinc/13/03/05/285130305.db2.gz VHUIQLLNSWCNRV-LBPRGKRZSA-N 1 0 262.313 1.664 20 5 CDBDRO CC(C)(CC[NH3+])NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493434096 253460377 /nfs/dbraw/zinc/46/03/77/253460377.db2.gz NTBFNOSYFQSYNN-XQRVVYSFSA-N 1 0 295.314 1.991 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CC[C@]3(CC[NH2+]C3)C2)s1 ZINC000261549599 285177653 /nfs/dbraw/zinc/17/76/53/285177653.db2.gz KRMGSHWAUFORDT-JTQLQIEISA-N 1 0 254.315 1.241 20 5 CDBDRO CC[C@@H]1CCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000286090929 390192365 /nfs/dbraw/zinc/19/23/65/390192365.db2.gz KPPKJUYLDFHMOV-GHMZBOCLSA-N 1 0 252.318 1.960 20 5 CDBDRO CCc1nn(C)c(N2CC[C@H]3[NH2+]CC[C@H]3C2)c1[N+](=O)[O-] ZINC000261734665 390568364 /nfs/dbraw/zinc/56/83/64/390568364.db2.gz LNSZDTJFNKDOTO-GXSJLCMTSA-N 1 0 279.344 1.079 20 5 CDBDRO NC(=O)c1ccc(C[N@H+](CCO)C2CCC2)c([N+](=O)[O-])c1 ZINC000221185075 390810289 /nfs/dbraw/zinc/81/02/89/390810289.db2.gz PGNBSPPYJOUYSB-UHFFFAOYSA-N 1 0 293.323 1.041 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000286918990 390814949 /nfs/dbraw/zinc/81/49/49/390814949.db2.gz IIBHEXIFAXREKU-JTQLQIEISA-N 1 0 281.312 1.040 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CCSc1ncc([N+](=O)[O-])c(N)n1 ZINC000516663946 390966196 /nfs/dbraw/zinc/96/61/96/390966196.db2.gz HCSXRSGLADDRGW-MRVPVSSYSA-N 1 0 283.357 1.374 20 5 CDBDRO CC[NH2+]CCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000422792792 535475518 /nfs/dbraw/zinc/47/55/18/535475518.db2.gz WMQRZXLQGHBFBY-UHFFFAOYSA-N 1 0 281.312 1.251 20 5 CDBDRO Cc1nc(NCC[C@@H]2CCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC000413435608 391214354 /nfs/dbraw/zinc/21/43/54/391214354.db2.gz HJNUGVOWKUQFBG-NSHDSACASA-N 1 0 279.344 1.259 20 5 CDBDRO Cc1n[nH]c(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449230393 391409025 /nfs/dbraw/zinc/40/90/25/391409025.db2.gz KJXDRDWDKRQARN-SNVBAGLBSA-N 1 0 289.339 1.785 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH2+]CC1 ZINC000415504247 391467623 /nfs/dbraw/zinc/46/76/23/391467623.db2.gz PFGCLIBOAIBEQD-UHFFFAOYSA-N 1 0 294.311 1.477 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000415509858 391468319 /nfs/dbraw/zinc/46/83/19/391468319.db2.gz XORSYLOHMXNTKN-GFCCVEGCSA-N 1 0 278.312 1.762 20 5 CDBDRO [NH3+]C1(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCC1 ZINC000415628425 391469668 /nfs/dbraw/zinc/46/96/68/391469668.db2.gz FILIUVHXSLPBIE-UHFFFAOYSA-N 1 0 282.275 1.737 20 5 CDBDRO [NH3+]C[C@@H]1CCCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415637147 391470358 /nfs/dbraw/zinc/47/03/58/391470358.db2.gz ZEABIRYGMZCIOL-JTQLQIEISA-N 1 0 282.275 1.689 20 5 CDBDRO Cc1cc(C(=O)NCC2=CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000189292941 129948126 /nfs/dbraw/zinc/94/81/26/129948126.db2.gz YHXVTJHZLTXWAS-UHFFFAOYSA-N 1 0 275.308 1.553 20 5 CDBDRO CCC[C@@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000296565325 391761164 /nfs/dbraw/zinc/76/11/64/391761164.db2.gz PWBGPPHFVWLSDA-CYBMUJFWSA-N 1 0 293.367 1.878 20 5 CDBDRO C[NH+](C)C1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000416306067 391985216 /nfs/dbraw/zinc/98/52/16/391985216.db2.gz YWLSPFYZQMAJLA-UHFFFAOYSA-N 1 0 281.287 1.558 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000449164122 391999573 /nfs/dbraw/zinc/99/95/73/391999573.db2.gz XZGSZHUEKSIEQJ-WCQYABFASA-N 1 0 291.351 1.736 20 5 CDBDRO Cc1cnc(N2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000090692649 392097840 /nfs/dbraw/zinc/09/78/40/392097840.db2.gz XZNUCRGWWRBWTB-LLVKDONJSA-N 1 0 264.329 1.863 20 5 CDBDRO COc1ccc(CNC(=O)[C@H](C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000433127304 392246948 /nfs/dbraw/zinc/24/69/48/392246948.db2.gz HMKCOBFPZRGJDJ-LLVKDONJSA-N 1 0 295.339 1.451 20 5 CDBDRO CCc1ccc(C(=O)N2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000237135547 131006744 /nfs/dbraw/zinc/00/67/44/131006744.db2.gz RQNXVFPOYDTUIX-UHFFFAOYSA-N 1 0 291.351 1.968 20 5 CDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000237603479 131046403 /nfs/dbraw/zinc/04/64/03/131046403.db2.gz HRZJTUSJWVOFLH-WDEREUQCSA-N 1 0 293.323 1.182 20 5 CDBDRO [NH3+]CCCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000237802203 131058647 /nfs/dbraw/zinc/05/86/47/131058647.db2.gz PBJVTBCDRAPPPK-UHFFFAOYSA-N 1 0 278.312 1.248 20 5 CDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000261592999 131155162 /nfs/dbraw/zinc/15/51/62/131155162.db2.gz MRZYQDUYJKMSJF-VHSKPIJISA-N 1 0 283.353 1.773 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000261711025 131163800 /nfs/dbraw/zinc/16/38/00/131163800.db2.gz PCZYRTJGXHJROV-OLZOCXBDSA-N 1 0 289.335 1.727 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261770364 131168066 /nfs/dbraw/zinc/16/80/66/131168066.db2.gz VZNINCFRCIJCEW-NXEZZACHSA-N 1 0 293.298 1.415 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000261820431 131171682 /nfs/dbraw/zinc/17/16/82/131171682.db2.gz UHIDUMKZIHVHBQ-VHSXEESVSA-N 1 0 297.380 1.800 20 5 CDBDRO C[NH2+]CCCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000262632878 131245036 /nfs/dbraw/zinc/24/50/36/131245036.db2.gz LNCCPABTYMTESZ-UHFFFAOYSA-N 1 0 263.297 1.484 20 5 CDBDRO Cc1sc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000262721525 131255855 /nfs/dbraw/zinc/25/58/55/131255855.db2.gz FVBDCNFIMMVOIO-IONNQARKSA-N 1 0 283.353 1.693 20 5 CDBDRO Cc1ccc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000262830093 131265510 /nfs/dbraw/zinc/26/55/10/131265510.db2.gz QGUBIDHJPDVHEI-JQWIXIFHSA-N 1 0 277.324 1.631 20 5 CDBDRO C[C@H]1[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]1C ZINC000262849310 131267876 /nfs/dbraw/zinc/26/78/76/131267876.db2.gz ZECQFTMSRZWJDW-BDAKNGLRSA-N 1 0 281.287 1.556 20 5 CDBDRO CO[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C12CCC2 ZINC000459756895 392503553 /nfs/dbraw/zinc/50/35/53/392503553.db2.gz KLCVXTXSBXSKEQ-QWRGUYRKSA-N 1 0 280.328 1.376 20 5 CDBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000265589655 131607366 /nfs/dbraw/zinc/60/73/66/131607366.db2.gz RKDCUUVRBTWKFA-VIFPVBQESA-N 1 0 299.758 1.857 20 5 CDBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000488717182 392721945 /nfs/dbraw/zinc/72/19/45/392721945.db2.gz KUIZWLDHNFPYGW-NEPJUHHUSA-N 1 0 280.324 1.676 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000418055148 392876348 /nfs/dbraw/zinc/87/63/48/392876348.db2.gz BCHQNSZPHUXMBH-JTQLQIEISA-N 1 0 294.355 1.558 20 5 CDBDRO C[C@@H]1CC[N@H+](CCNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000525804399 392937544 /nfs/dbraw/zinc/93/75/44/392937544.db2.gz VLTWTZXGTFETBX-GFCCVEGCSA-N 1 0 291.351 1.595 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000269262251 132145612 /nfs/dbraw/zinc/14/56/12/132145612.db2.gz JQZKYMOEXMDWRG-VIFPVBQESA-N 1 0 284.291 1.029 20 5 CDBDRO CCc1n[nH]c(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000422026610 392950403 /nfs/dbraw/zinc/95/04/03/392950403.db2.gz UIHZVTCEAJEVEN-SECBINFHSA-N 1 0 295.343 1.047 20 5 CDBDRO C[C@]1(C[NH3+])CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000313942093 392958768 /nfs/dbraw/zinc/95/87/68/392958768.db2.gz OPCPOJIGTKFENQ-IYKSTZQJSA-N 1 0 289.335 1.805 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423541888 392963998 /nfs/dbraw/zinc/96/39/98/392963998.db2.gz SMADUWPPAADNNN-LLVKDONJSA-N 1 0 293.323 1.011 20 5 CDBDRO Cc1c(CC(=O)N[C@H]2CC[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC000423585353 392964079 /nfs/dbraw/zinc/96/40/79/392964079.db2.gz BBDYOEFCZOPNJL-MFKMUULPSA-N 1 0 291.351 1.560 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000423671902 392966051 /nfs/dbraw/zinc/96/60/51/392966051.db2.gz CVBVBIQQTOKEPS-SNVBAGLBSA-N 1 0 281.312 1.379 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000430586964 393101148 /nfs/dbraw/zinc/10/11/48/393101148.db2.gz ULZFEQAQABWGNN-ZDUSSCGKSA-N 1 0 279.340 1.657 20 5 CDBDRO C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000430932395 393104078 /nfs/dbraw/zinc/10/40/78/393104078.db2.gz GDMIPOVDMSFGSX-RYUDHWBXSA-N 1 0 279.340 1.643 20 5 CDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1c([N+](=O)[O-])ncn1C ZINC000375754305 393064855 /nfs/dbraw/zinc/06/48/55/393064855.db2.gz NRVIMSBYRCXXFV-RYUDHWBXSA-N 1 0 293.371 1.387 20 5 CDBDRO CO[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000282062263 393170590 /nfs/dbraw/zinc/17/05/90/393170590.db2.gz BPHPCXUHTVOAAM-YPMHNXCESA-N 1 0 295.339 1.256 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(C(N)=O)CC1 ZINC000449239408 393131636 /nfs/dbraw/zinc/13/16/36/393131636.db2.gz JJKLXGFLIYCASG-SECBINFHSA-N 1 0 263.297 1.133 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449602542 393135638 /nfs/dbraw/zinc/13/56/38/393135638.db2.gz PBZSRJXHJLTWPU-OKPNEXGHSA-N 1 0 277.324 1.722 20 5 CDBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000449637612 393137703 /nfs/dbraw/zinc/13/77/03/393137703.db2.gz GZFBIFNLZPBTIV-SCZZXKLOSA-N 1 0 283.353 1.904 20 5 CDBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000275336572 135105101 /nfs/dbraw/zinc/10/51/01/135105101.db2.gz GUZLISAGCICIGK-WDEREUQCSA-N 1 0 297.330 1.625 20 5 CDBDRO COc1ccc(CN2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000088060265 139666319 /nfs/dbraw/zinc/66/63/19/139666319.db2.gz MADILVDXSAIEJS-SNVBAGLBSA-N 1 0 265.313 1.397 20 5 CDBDRO O=C(C[C@@H]1CC[NH2+]C1)NCc1ccccc1[N+](=O)[O-] ZINC000089747622 139677080 /nfs/dbraw/zinc/67/70/80/139677080.db2.gz PMEOWTDMFZZTGF-JTQLQIEISA-N 1 0 263.297 1.211 20 5 CDBDRO C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000163586756 139919089 /nfs/dbraw/zinc/91/90/89/139919089.db2.gz VSVILUCHMFMPAQ-ZYHUDNBSSA-N 1 0 277.324 1.652 20 5 CDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000216117723 140161997 /nfs/dbraw/zinc/16/19/97/140161997.db2.gz NKTWSMKORNRXHX-UWVGGRQHSA-N 1 0 278.312 1.796 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CCC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000232236253 140222518 /nfs/dbraw/zinc/22/25/18/140222518.db2.gz WNSWJRDYBZWNBV-LBPRGKRZSA-N 1 0 277.324 1.775 20 5 CDBDRO CNC(=O)c1ccc(NCC2([NH3+])CCC2)c([N+](=O)[O-])c1 ZINC000234345093 140229195 /nfs/dbraw/zinc/22/91/95/140229195.db2.gz RXDGRXAHBAHDKM-UHFFFAOYSA-N 1 0 278.312 1.248 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000235297860 140234036 /nfs/dbraw/zinc/23/40/36/140234036.db2.gz KWYVNPMPRMFAMD-GIPNMCIBSA-N 1 0 277.324 1.628 20 5 CDBDRO Cc1cc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000235646982 140236386 /nfs/dbraw/zinc/23/63/86/140236386.db2.gz MLBIBFZTNLPINP-ONGXEEELSA-N 1 0 263.297 1.322 20 5 CDBDRO C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251839756 140313058 /nfs/dbraw/zinc/31/30/58/140313058.db2.gz QISNQWFADVFCID-BXKDBHETSA-N 1 0 267.304 1.903 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]1C[NH2+]C ZINC000261573870 140352320 /nfs/dbraw/zinc/35/23/20/140352320.db2.gz AUDNKSBOCUSQJU-SNVBAGLBSA-N 1 0 267.333 1.308 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261590903 140359459 /nfs/dbraw/zinc/35/94/59/140359459.db2.gz LSBOGGRBQOCCKM-JTQLQIEISA-N 1 0 267.304 1.905 20 5 CDBDRO C[NH2+]C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261597939 140361722 /nfs/dbraw/zinc/36/17/22/140361722.db2.gz PDUKYIPNQQMESV-SNVBAGLBSA-N 1 0 267.304 1.775 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C(C1CC1)C1CC1 ZINC000176221133 148028439 /nfs/dbraw/zinc/02/84/39/148028439.db2.gz KHXQRYGRTBVFJR-UHFFFAOYSA-N 1 0 264.329 1.912 20 5 CDBDRO C[NH2+]CCC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000262588176 149079596 /nfs/dbraw/zinc/07/95/96/149079596.db2.gz VVQUZTPNFHQIAC-UHFFFAOYSA-N 1 0 265.313 1.556 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000262851369 149122083 /nfs/dbraw/zinc/12/20/83/149122083.db2.gz KBIOCAQRZKJRKK-NXEZZACHSA-N 1 0 293.323 1.474 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000333982131 149293615 /nfs/dbraw/zinc/29/36/15/149293615.db2.gz HLGYWKZYCOCWAV-GXSJLCMTSA-N 1 0 295.314 1.946 20 5 CDBDRO COc1cc(C[N@H+]2CC[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000352545439 155262361 /nfs/dbraw/zinc/26/23/61/155262361.db2.gz ISXVMFYPIQDINN-LLVKDONJSA-N 1 0 266.297 1.824 20 5 CDBDRO C[C@H]1[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343513256 152207306 /nfs/dbraw/zinc/20/73/06/152207306.db2.gz JXDQLFAQLSPFKN-TVQRCGJNSA-N 1 0 295.314 1.946 20 5 CDBDRO COc1cc(C[N@H+](C)[C@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000352668690 155341739 /nfs/dbraw/zinc/34/17/39/155341739.db2.gz UIPODEHRWMTIAT-WCQYABFASA-N 1 0 280.324 1.949 20 5 CDBDRO Cc1c([C@H](C)[NH2+]C[C@@H](O)[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000358047826 157860881 /nfs/dbraw/zinc/86/08/81/157860881.db2.gz OIUXYSXWXFPFTK-SLEUVZQESA-N 1 0 294.351 1.951 20 5 CDBDRO Cc1cccc(C(=O)NC[C@@H]([NH3+])C2CC2)c1[N+](=O)[O-] ZINC000129195851 292425409 /nfs/dbraw/zinc/42/54/09/292425409.db2.gz XMNZJFQSOJPJQN-LLVKDONJSA-N 1 0 263.297 1.370 20 5 CDBDRO C[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284848587 196143671 /nfs/dbraw/zinc/14/36/71/196143671.db2.gz ABBAKSLJPXPPQW-RBZYPMLTSA-N 1 0 295.339 1.368 20 5 CDBDRO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035140123 172008092 /nfs/dbraw/zinc/00/80/92/172008092.db2.gz POYINDAOJFKOQO-UWVGGRQHSA-N 1 0 265.313 1.770 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000285858373 196421546 /nfs/dbraw/zinc/42/15/46/196421546.db2.gz AXPXZKKSALTLRC-CQSZACIVSA-N 1 0 290.323 1.003 20 5 CDBDRO C[C@H](CNc1ncc([N+](=O)[O-])cn1)C[NH+]1CCCCC1 ZINC000040454837 174267248 /nfs/dbraw/zinc/26/72/48/174267248.db2.gz RSNLAJYVMGRDDF-LLVKDONJSA-N 1 0 279.344 1.919 20 5 CDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000044501378 175185768 /nfs/dbraw/zinc/18/57/68/175185768.db2.gz HEFAWTCRXFENQR-SNVBAGLBSA-N 1 0 263.297 1.324 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000044501730 175185880 /nfs/dbraw/zinc/18/58/80/175185880.db2.gz HBVPMMZKDYOYTH-NSHDSACASA-N 1 0 277.324 1.633 20 5 CDBDRO Cc1nn(C)c(NC[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000044503097 175186282 /nfs/dbraw/zinc/18/62/82/175186282.db2.gz PNSSFACKSLMBNI-SECBINFHSA-N 1 0 253.306 1.048 20 5 CDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000044538543 175199433 /nfs/dbraw/zinc/19/94/33/175199433.db2.gz LPRLIJLOZHMIAW-SNVBAGLBSA-N 1 0 295.314 1.806 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000070447018 175938809 /nfs/dbraw/zinc/93/88/09/175938809.db2.gz MAXLYXXSEWMJFJ-LJLILKBBSA-N 1 0 277.324 1.708 20 5 CDBDRO C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000086467555 296914113 /nfs/dbraw/zinc/91/41/13/296914113.db2.gz OFIOEXIBSHLNBX-BDAKNGLRSA-N 1 0 281.287 1.556 20 5 CDBDRO Cc1c(CNC(=O)NC[C@H]([NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000418085661 228020057 /nfs/dbraw/zinc/02/00/57/228020057.db2.gz YGVAGWCQOYGKKL-LBPRGKRZSA-N 1 0 292.339 1.440 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000213321972 261218335 /nfs/dbraw/zinc/21/83/35/261218335.db2.gz VFXUPIVNOOJWNO-LLPBQKLSSA-N 1 0 275.308 1.462 20 5 CDBDRO CC[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+](CC)CC ZINC000269118469 270314355 /nfs/dbraw/zinc/31/43/55/270314355.db2.gz QDIASTRWFZBIFG-LBPRGKRZSA-N 1 0 297.359 1.028 20 5 CDBDRO C[C@](C[NH3+])(NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000313263695 270324550 /nfs/dbraw/zinc/32/45/50/270324550.db2.gz DUBOSBFDKDBOBM-KHSJVXASSA-N 1 0 289.335 1.852 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000323437179 270331526 /nfs/dbraw/zinc/33/15/26/270331526.db2.gz RKBKPDAYCQLFFS-ZYHUDNBSSA-N 1 0 266.297 1.606 20 5 CDBDRO COc1ccc(OCCN(C)[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000430943038 274116108 /nfs/dbraw/zinc/11/61/08/274116108.db2.gz OAESDFNUMBMPKG-SNVBAGLBSA-N 1 0 283.328 1.261 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H]1C[NH3+] ZINC000261994525 274289038 /nfs/dbraw/zinc/28/90/38/274289038.db2.gz NGJVPUJFCBOHSY-RNCFNFMXSA-N 1 0 292.339 1.376 20 5 CDBDRO CC(C)[C@@H](C[NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000433147986 275668875 /nfs/dbraw/zinc/66/88/75/275668875.db2.gz PTOSFLDFDHDOTO-GFCCVEGCSA-N 1 0 277.324 1.715 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](C)C[NH2+]C ZINC000414848418 276377018 /nfs/dbraw/zinc/37/70/18/276377018.db2.gz WYIRJTFEVBQAKS-LLVKDONJSA-N 1 0 281.356 1.939 20 5 CDBDRO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297151714 277231647 /nfs/dbraw/zinc/23/16/47/277231647.db2.gz CKDJSVZHZNASIM-ZJUUUORDSA-N 1 0 265.313 1.770 20 5 CDBDRO C[C@@H](C[C@H]1COCCN1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000133889811 278295213 /nfs/dbraw/zinc/29/52/13/278295213.db2.gz JTDKSDUMBGFAJS-JSGCOSHPSA-N 1 0 293.367 1.494 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000262270169 278312390 /nfs/dbraw/zinc/31/23/90/278312390.db2.gz VQFKUIUYLOKORV-RNCFNFMXSA-N 1 0 292.339 1.519 20 5 CDBDRO C[C@@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000415384081 278532366 /nfs/dbraw/zinc/53/23/66/278532366.db2.gz MJPAWHZOQWRKSG-ZJUUUORDSA-N 1 0 293.327 1.003 20 5 CDBDRO C[C@@H]1[C@H](N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCC[N@@H+]1C ZINC000447684587 279119142 /nfs/dbraw/zinc/11/91/42/279119142.db2.gz BTOPQCNJLSSIRE-MWLCHTKSSA-N 1 0 289.339 1.788 20 5 CDBDRO Cc1c(C[NH2+]C(C)(C)C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000074286551 279217386 /nfs/dbraw/zinc/21/73/86/279217386.db2.gz DZDXBQCYIZAXHK-UHFFFAOYSA-N 1 0 279.340 1.860 20 5 CDBDRO C[C@H](CO)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447548073 279355571 /nfs/dbraw/zinc/35/55/71/279355571.db2.gz FTEUCOGKXQTNER-TUAOUCFPSA-N 1 0 282.344 1.493 20 5 CDBDRO C[C@H]([NH3+])[C@H](C)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000191993955 279410827 /nfs/dbraw/zinc/41/08/27/279410827.db2.gz DUVNZWWDBWFNIM-UWVGGRQHSA-N 1 0 280.328 1.106 20 5 CDBDRO CC1(C)CC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000132494497 279707543 /nfs/dbraw/zinc/70/75/43/279707543.db2.gz SOLNSINTXRZWFI-CMPLNLGQSA-N 1 0 282.344 1.321 20 5 CDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000186753209 279737424 /nfs/dbraw/zinc/73/74/24/279737424.db2.gz OGMDNQZIFHIEHI-QPUJVOFHSA-N 1 0 297.742 1.976 20 5 CDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[NH2+]C1 ZINC000214327512 280087413 /nfs/dbraw/zinc/08/74/13/280087413.db2.gz BOMBZVHWPQFNJW-ZHRWSRJISA-N 1 0 275.308 1.476 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]([NH3+])C1 ZINC000422775008 280397950 /nfs/dbraw/zinc/39/79/50/280397950.db2.gz ZKNORCIGKKXTOR-NSHDSACASA-N 1 0 277.324 1.693 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3C[NH+](C)C[C@H]3C2)n1 ZINC000362664686 280399201 /nfs/dbraw/zinc/39/92/01/280399201.db2.gz CFFMHGHUSGCITQ-RYUDHWBXSA-N 1 0 276.340 1.604 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000071309957 280657325 /nfs/dbraw/zinc/65/73/25/280657325.db2.gz MRTJSOGXXJCWGP-NSHDSACASA-N 1 0 263.297 1.337 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[N@@H+]([C@H](C)CO)CC2)c1 ZINC000345037815 281011144 /nfs/dbraw/zinc/01/11/44/281011144.db2.gz QXSAMPKBRBDOAB-CYBMUJFWSA-N 1 0 293.367 1.796 20 5 CDBDRO CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000269149351 281707082 /nfs/dbraw/zinc/70/70/82/281707082.db2.gz MODYSGYLAMLVRZ-ZDUSSCGKSA-N 1 0 291.351 1.693 20 5 CDBDRO COCC[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000532036482 281892987 /nfs/dbraw/zinc/89/29/87/281892987.db2.gz FPUCIWDSELSCKQ-LBPRGKRZSA-N 1 0 294.355 1.537 20 5 CDBDRO CNc1ccc(C(=O)N2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000561936287 293106790 /nfs/dbraw/zinc/10/67/90/293106790.db2.gz SQFLAUDWUYMMBJ-UHFFFAOYSA-N 1 0 278.312 1.200 20 5 CDBDRO Nc1c(C(=O)N2CCC(CC[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000569014276 294142970 /nfs/dbraw/zinc/14/29/70/294142970.db2.gz LWXJQCJTDRFCRG-UHFFFAOYSA-N 1 0 292.339 1.378 20 5 CDBDRO COCC[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569109609 294159113 /nfs/dbraw/zinc/15/91/13/294159113.db2.gz AKBVRJODQHQODY-VXGBXAGGSA-N 1 0 298.339 1.349 20 5 CDBDRO CC1(C)C[C@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570676430 294286790 /nfs/dbraw/zinc/28/67/90/294286790.db2.gz PTDASSCLRZGEND-RYUDHWBXSA-N 1 0 294.351 1.970 20 5 CDBDRO [NH3+]C1(CNC(=O)c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000237841907 295208619 /nfs/dbraw/zinc/20/86/19/295208619.db2.gz DIPGJLOLPMKWPN-UHFFFAOYSA-N 1 0 277.324 1.986 20 5 CDBDRO [NH3+]C[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000238091455 295243864 /nfs/dbraw/zinc/24/38/64/295243864.db2.gz CLIFZBKIXXKGGU-SNVBAGLBSA-N 1 0 283.715 1.715 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000422848604 295256850 /nfs/dbraw/zinc/25/68/50/295256850.db2.gz AXSANBPOWXQGPX-WCBMZHEXSA-N 1 0 278.312 1.034 20 5 CDBDRO C[C@H](C[NH3+])CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000418491749 298526075 /nfs/dbraw/zinc/52/60/75/298526075.db2.gz ORKMCCJQCDFXPL-SNVBAGLBSA-N 1 0 294.355 1.724 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000261664922 302045354 /nfs/dbraw/zinc/04/53/54/302045354.db2.gz FKUABMOLDHHDAT-NXEZZACHSA-N 1 0 299.352 1.013 20 5 CDBDRO COC[C@@H](O)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000566132221 316487377 /nfs/dbraw/zinc/48/73/77/316487377.db2.gz MVTYOUUTLAWGJA-NSHDSACASA-N 1 0 288.731 1.388 20 5 CDBDRO O=C(CC[NH2+]CCCCCO)Nc1ccccc1[N+](=O)[O-] ZINC000575988365 317053023 /nfs/dbraw/zinc/05/30/23/317053023.db2.gz IFNYEELIFWUIKQ-UHFFFAOYSA-N 1 0 295.339 1.676 20 5 CDBDRO CC[C@H]([NH2+]C1CN(C(C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000576838113 317218144 /nfs/dbraw/zinc/21/81/44/317218144.db2.gz OTDHSWCIUNMLQN-AWEZNQCLSA-N 1 0 277.324 1.866 20 5 CDBDRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000388765183 323795213 /nfs/dbraw/zinc/79/52/13/323795213.db2.gz FITCDTRVZQKMEI-WXHSDQCUSA-N 1 0 282.344 1.321 20 5 CDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000582667418 325020547 /nfs/dbraw/zinc/02/05/47/325020547.db2.gz NQFYNGMFIGIPTK-VHSXEESVSA-N 1 0 281.312 1.216 20 5 CDBDRO COc1ccc(NC(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000582904952 325066963 /nfs/dbraw/zinc/06/69/63/325066963.db2.gz VDVACCUQROAXRC-RKDXNWHRSA-N 1 0 296.327 1.851 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCCC[NH3+])c1 ZINC000583933649 325270643 /nfs/dbraw/zinc/27/06/43/325270643.db2.gz KFYGRSORMOPEQA-UHFFFAOYSA-N 1 0 281.312 1.462 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCC[NH2+]C1 ZINC001218283683 1159491105 /nfs/dbraw/zinc/49/11/05/1159491105.db2.gz KOPAFSMYFDGCCO-SNVBAGLBSA-N 1 0 280.280 1.512 20 5 CDBDRO Cc1ccnc(N2C[C@H](C[NH3+])CC[C@H]2C)c1[N+](=O)[O-] ZINC000227078008 1160031310 /nfs/dbraw/zinc/03/13/10/1160031310.db2.gz YQWIRCXDZYXBFD-MNOVXSKESA-N 1 0 264.329 1.862 20 5 CDBDRO CC(C)[N@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000338428575 519623654 /nfs/dbraw/zinc/62/36/54/519623654.db2.gz WPAYCKNSSIMEPR-UHFFFAOYSA-N 1 0 265.313 1.665 20 5 CDBDRO CCCNC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035141019 519880203 /nfs/dbraw/zinc/88/02/03/519880203.db2.gz ADBQLOBYOMQBRJ-JTQLQIEISA-N 1 0 265.313 1.772 20 5 CDBDRO C[C@H](COC(=O)C[C@@H](O)C[N+](C)(C)C)c1ccccc1 ZINC001206012635 1162011486 /nfs/dbraw/zinc/01/14/86/1162011486.db2.gz XOCFCUGJPTVSMZ-UKRRQHHQSA-N 1 0 280.388 1.791 20 5 CDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000050708755 519814349 /nfs/dbraw/zinc/81/43/49/519814349.db2.gz GAULFXHUPLROBM-ZDUSSCGKSA-N 1 0 294.355 1.493 20 5 CDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1cccc(N2CCOC2=O)c1 ZINC000791055816 1162187352 /nfs/dbraw/zinc/18/73/52/1162187352.db2.gz YXWNCUOPQSNHPO-JTQLQIEISA-N 1 0 279.296 1.571 20 5 CDBDRO CC[NH+](CC)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000063445085 520682760 /nfs/dbraw/zinc/68/27/60/520682760.db2.gz AUXNEGFLXVSRHM-UHFFFAOYSA-N 1 0 298.318 1.388 20 5 CDBDRO COC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000181580457 522351212 /nfs/dbraw/zinc/35/12/12/522351212.db2.gz LVSJTKLWNCPKJS-CQSZACIVSA-N 1 0 280.324 1.988 20 5 CDBDRO CCc1nn(C)c(N2CC[C@@H](C)[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000164002678 522668747 /nfs/dbraw/zinc/66/87/47/522668747.db2.gz KXNIAQGGQPDYEH-NXEZZACHSA-N 1 0 281.360 1.312 20 5 CDBDRO COc1cc(NCC(C)(C)[NH3+])c(F)cc1[N+](=O)[O-] ZINC000227860885 522738944 /nfs/dbraw/zinc/73/89/44/522738944.db2.gz FWGQQMFVERBSAR-UHFFFAOYSA-N 1 0 257.265 1.892 20 5 CDBDRO C[NH+](C)CCCOC(=O)c1c(F)ccc([N+](=O)[O-])c1F ZINC000791994162 1162254061 /nfs/dbraw/zinc/25/40/61/1162254061.db2.gz YTVXXHBUPQNXOR-UHFFFAOYSA-N 1 0 288.250 1.982 20 5 CDBDRO C[C@@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000070176808 524195693 /nfs/dbraw/zinc/19/56/93/524195693.db2.gz KEBJDERYMHDYEC-RISCZKNCSA-N 1 0 291.351 1.723 20 5 CDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[N@H+](C)C1CC1 ZINC000340727082 524460423 /nfs/dbraw/zinc/46/04/23/524460423.db2.gz OJOSXIZZHGESRM-MRVPVSSYSA-N 1 0 266.301 1.135 20 5 CDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[N@H+](C)C1CC1 ZINC000068219668 524463562 /nfs/dbraw/zinc/46/35/62/524463562.db2.gz LNZUHRCWGDDJGY-MRVPVSSYSA-N 1 0 267.285 1.400 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000157350625 524918978 /nfs/dbraw/zinc/91/89/78/524918978.db2.gz BQZBOHNXPVCRQS-VHSXEESVSA-N 1 0 292.339 1.390 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](CC[NH3+])C1 ZINC000070171261 525574572 /nfs/dbraw/zinc/57/45/72/525574572.db2.gz DAPXGCCAXONRLB-NSHDSACASA-N 1 0 264.329 1.863 20 5 CDBDRO C[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000069136977 525638450 /nfs/dbraw/zinc/63/84/50/525638450.db2.gz SDXDCQCJQZMINU-ZYHUDNBSSA-N 1 0 298.364 1.823 20 5 CDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000184946944 527371613 /nfs/dbraw/zinc/37/16/13/527371613.db2.gz CYCLXVXKMFGBCF-IACUBPJLSA-N 1 0 289.335 1.333 20 5 CDBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000184976288 527415606 /nfs/dbraw/zinc/41/56/06/527415606.db2.gz YGXMPUJNZAPKNG-RTXFEEFZSA-N 1 0 275.308 1.404 20 5 CDBDRO CC[NH2+]CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000418315428 535468298 /nfs/dbraw/zinc/46/82/98/535468298.db2.gz HRXIFNMNKBSVTR-UHFFFAOYSA-N 1 0 294.355 1.739 20 5 CDBDRO CCOc1ccc(C(=O)N2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000178550609 535701775 /nfs/dbraw/zinc/70/17/75/535701775.db2.gz ZDTVDGYKSYAIOF-SNVBAGLBSA-N 1 0 293.323 1.414 20 5 CDBDRO CN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000159872651 536069801 /nfs/dbraw/zinc/06/98/01/536069801.db2.gz DSOMKSZFVPXQEB-VIFPVBQESA-N 1 0 269.326 1.466 20 5 CDBDRO CNC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000412053692 536327896 /nfs/dbraw/zinc/32/78/96/536327896.db2.gz IZNWTCNMSPFVRQ-UHFFFAOYSA-N 1 0 292.339 1.488 20 5 CDBDRO C[NH2+][C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261572118 536418330 /nfs/dbraw/zinc/41/83/30/536418330.db2.gz LLEVDXHPOOBBFJ-JTQLQIEISA-N 1 0 253.277 1.528 20 5 CDBDRO CNC(=O)C1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000733999559 575151139 /nfs/dbraw/zinc/15/11/39/575151139.db2.gz QEHCUEJRXFCFHU-UHFFFAOYSA-N 1 0 277.324 1.743 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@H](c1ccco1)[NH+](C)C ZINC000891484145 617436064 /nfs/dbraw/zinc/43/60/64/617436064.db2.gz CAIQSMHHPXKBPB-VIFPVBQESA-N 1 0 279.300 1.636 20 5 CDBDRO COc1cc([N+](=O)[O-])cnc1N[C@H](C)CC[NH+](C)C ZINC000892084777 617472344 /nfs/dbraw/zinc/47/23/44/617472344.db2.gz DAVBFUVLMWFCFG-SECBINFHSA-N 1 0 268.317 1.751 20 5 CDBDRO CC[C@H](CNc1c([N+](=O)[O-])cnn1C)[NH+]1CCCC1 ZINC000891810237 617602394 /nfs/dbraw/zinc/60/23/94/617602394.db2.gz RJGJTBDPRVKNRE-SNVBAGLBSA-N 1 0 267.333 1.615 20 5 CDBDRO O=C(CC[N@H+]1CC[C@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000934017570 617856214 /nfs/dbraw/zinc/85/62/14/617856214.db2.gz SIZNWZGWTQYANL-JTQLQIEISA-N 1 0 297.286 1.129 20 5 CDBDRO C[N@@H+]1C[C@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000893933808 618193329 /nfs/dbraw/zinc/19/33/29/618193329.db2.gz CVAVWKJTXSUAPL-LDYMZIIASA-N 1 0 282.731 1.784 20 5 CDBDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000922591129 618276654 /nfs/dbraw/zinc/27/66/54/618276654.db2.gz PLHIVYPJVRDXGY-AWEZNQCLSA-N 1 0 293.367 1.795 20 5 CDBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H](O)CC2)c1[N+](=O)[O-] ZINC000894652003 619005353 /nfs/dbraw/zinc/00/53/53/619005353.db2.gz WMXSGYAEDBAUBJ-NSHDSACASA-N 1 0 296.323 1.656 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(O)(C[NH+](C)C)CC2)c1 ZINC000894954426 619163544 /nfs/dbraw/zinc/16/35/44/619163544.db2.gz COQYVFVUYPKIIZ-UHFFFAOYSA-N 1 0 293.367 1.796 20 5 CDBDRO CC[NH2+]CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841011098 620941146 /nfs/dbraw/zinc/94/11/46/620941146.db2.gz LCKBESFLSIZBMV-UHFFFAOYSA-N 1 0 286.719 1.979 20 5 CDBDRO CC(=O)c1ccc(N2CC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000900380329 622958333 /nfs/dbraw/zinc/95/83/33/622958333.db2.gz JIXCDKVCZGCNCJ-LLVKDONJSA-N 1 0 277.324 1.973 20 5 CDBDRO CN(C)[C@@H](C[NH2+]CC[N+](=O)[O-])c1ccc(F)cc1 ZINC000905055745 626605516 /nfs/dbraw/zinc/60/55/16/626605516.db2.gz RNXZQZQZDSZFOT-LBPRGKRZSA-N 1 0 255.293 1.295 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCOc1ccc(Br)cc1 ZINC000905072775 626616898 /nfs/dbraw/zinc/61/68/98/626616898.db2.gz SKGBJRWKVRMWPF-UHFFFAOYSA-N 1 0 289.129 1.694 20 5 CDBDRO CCCOc1cccc(CC[NH2+]CC[N+](=O)[O-])c1 ZINC000905174673 626679156 /nfs/dbraw/zinc/67/91/56/626679156.db2.gz FVLGTFBLOBVKLE-UHFFFAOYSA-N 1 0 252.314 1.884 20 5 CDBDRO O=[N+]([O-])CC[NH2+]CCc1cccc(Br)c1 ZINC000905283773 626737665 /nfs/dbraw/zinc/73/76/65/626737665.db2.gz HOAYQNMCGGQQEG-UHFFFAOYSA-N 1 0 273.130 1.858 20 5 CDBDRO C[C@]1([NH3+])CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000906634395 627362431 /nfs/dbraw/zinc/36/24/31/627362431.db2.gz AOSPVTASHRYIGB-IPYPFGDCSA-N 1 0 289.335 1.648 20 5 CDBDRO [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000911734181 629455919 /nfs/dbraw/zinc/45/59/19/629455919.db2.gz JWNXVKXMFKODRO-LEWSCRJBSA-N 1 0 289.335 1.506 20 5 CDBDRO CC[NH+](CC)CCn1nnc(-c2ccccc2[N+](=O)[O-])n1 ZINC000912453260 630023350 /nfs/dbraw/zinc/02/33/50/630023350.db2.gz BKOUMLZAXOWGNO-UHFFFAOYSA-N 1 0 290.327 1.590 20 5 CDBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@@H](O)C[NH+]1CCCC1 ZINC000914795129 631573691 /nfs/dbraw/zinc/57/36/91/631573691.db2.gz HLYYEGRPLQSHNL-CQSZACIVSA-N 1 0 293.367 1.483 20 5 CDBDRO C[C@@H](C[NH+](C)C)Oc1nc(Cl)ccc1[N+](=O)[O-] ZINC000304542489 1158490681 /nfs/dbraw/zinc/49/06/81/1158490681.db2.gz NTZFPCAALYXPPE-ZETCQYMHSA-N 1 0 259.693 1.972 20 5 CDBDRO COc1cnc(N2CCC[C@H]([NH3+])[C@H]2C)c([N+](=O)[O-])c1 ZINC001157740218 1162370482 /nfs/dbraw/zinc/37/04/82/1162370482.db2.gz FVOMZOGXMLDQHR-SCZZXKLOSA-N 1 0 266.301 1.314 20 5 CDBDRO CC1(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001131474966 1162919023 /nfs/dbraw/zinc/91/90/23/1162919023.db2.gz ACKDHLBTDFFCQU-UHFFFAOYSA-N 1 0 291.351 1.991 20 5 CDBDRO Cc1cccc(N[C@@H](C)[C@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001170567743 1162950541 /nfs/dbraw/zinc/95/05/41/1162950541.db2.gz LTWPKYOQMQRNED-CMPLNLGQSA-N 1 0 265.313 1.692 20 5 CDBDRO Cn1cncc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809736174 1163070477 /nfs/dbraw/zinc/07/04/77/1163070477.db2.gz IPKUJESZYAOJSO-UHFFFAOYSA-N 1 0 275.312 1.294 20 5 CDBDRO CN(CC[N+](=O)[O-])C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000791052000 1162187452 /nfs/dbraw/zinc/18/74/52/1162187452.db2.gz JHRNJOQMRAVFGB-OAHLLOKOSA-N 1 0 277.368 1.717 20 5 CDBDRO CC[C@@]1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000792441535 1162281703 /nfs/dbraw/zinc/28/17/03/1162281703.db2.gz MSGZSWJJTIGUDG-ZIAGYGMSSA-N 1 0 280.324 1.787 20 5 CDBDRO CC[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000122457300 1165032501 /nfs/dbraw/zinc/03/25/01/1165032501.db2.gz PGYKPQCVJLAGSO-JOYOIKCWSA-N 1 0 295.314 1.933 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877243752 1166001325 /nfs/dbraw/zinc/00/13/25/1166001325.db2.gz TZZQFKACRNACCK-TXEJJXNPSA-N 1 0 291.351 1.987 20 5 CDBDRO [NH3+][C@H]1Cc2ccccc2N(c2cc([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001155298514 1167120009 /nfs/dbraw/zinc/12/00/09/1167120009.db2.gz UBSBSCMPHUSCID-NSHDSACASA-N 1 0 286.291 1.250 20 5 CDBDRO C[C@@H](OC(=O)[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC001573589682 1170700770 /nfs/dbraw/zinc/70/07/70/1170700770.db2.gz IFDQMXGVJBPOAI-MWLCHTKSSA-N 1 0 264.281 1.809 20 5 CDBDRO CN(C[C@@H]1CC[NH2+]1)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001578452759 1171918142 /nfs/dbraw/zinc/91/81/42/1171918142.db2.gz ILBMYIZUROONFO-YUTCNCBUSA-N 1 0 289.335 1.519 20 5 CDBDRO Cc1nc(NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001579864609 1172284954 /nfs/dbraw/zinc/28/49/54/1172284954.db2.gz YRRWTVNQGHLRIU-LDYMZIIASA-N 1 0 282.275 1.184 20 5 CDBDRO [NH3+][C@@]12CCC[C@H]1CN(c1ncc([N+](=O)[O-])cc1Cl)C2 ZINC001580158621 1172366053 /nfs/dbraw/zinc/36/60/53/1172366053.db2.gz URJIIVZQEWMQRB-QPUJVOFHSA-N 1 0 282.731 1.961 20 5 CDBDRO [NH3+]C/C=C/CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001580278258 1172391767 /nfs/dbraw/zinc/39/17/67/1172391767.db2.gz HZNJGBGXMYFFNZ-OWOJBTEDSA-N 1 0 297.742 1.812 20 5 CDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3CC3)CC2)nc1 ZINC000133701336 1175807836 /nfs/dbraw/zinc/80/78/36/1175807836.db2.gz MUXPIXHXSISHAI-UHFFFAOYSA-N 1 0 276.340 1.958 20 5 CDBDRO Cc1ccc(C[NH2+]CC(=O)NCC(C)C)cc1[N+](=O)[O-] ZINC000134636606 1175820658 /nfs/dbraw/zinc/82/06/58/1175820658.db2.gz ASLQCZXLZPMVOZ-UHFFFAOYSA-N 1 0 279.340 1.765 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261738794 1182146888 /nfs/dbraw/zinc/14/68/88/1182146888.db2.gz LVHYNPXAINUEBG-JQWIXIFHSA-N 1 0 277.324 1.792 20 5 CDBDRO C[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CC[C@H]1[NH3+] ZINC000261807178 1182198805 /nfs/dbraw/zinc/19/88/05/1182198805.db2.gz RXERXRAUEWDAAV-IONNQARKSA-N 1 0 293.352 1.773 20 5 CDBDRO [NH3+][C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000404475846 1186519540 /nfs/dbraw/zinc/51/95/40/1186519540.db2.gz GVJRHUIGINHQAN-NWDGAFQWSA-N 1 0 275.308 1.595 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCC2(O)CCC2)c1 ZINC000819375370 1164199103 /nfs/dbraw/zinc/19/91/03/1164199103.db2.gz PNWCXUDATVDVNF-CQSZACIVSA-N 1 0 294.351 1.913 20 5 CDBDRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873131243 1165514747 /nfs/dbraw/zinc/51/47/47/1165514747.db2.gz PWSTVIVVTULOGP-UKRRQHHQSA-N 1 0 296.367 1.823 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000876525490 1165862361 /nfs/dbraw/zinc/86/23/61/1165862361.db2.gz LFLSGUFOXBYHFP-LBPRGKRZSA-N 1 0 291.351 1.941 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(C(N)=O)CC1 ZINC000876526698 1165864614 /nfs/dbraw/zinc/86/46/14/1165864614.db2.gz BOOIOINPOVNYCY-UHFFFAOYSA-N 1 0 291.351 1.909 20 5 CDBDRO Cc1cc(F)cc(C(=O)N(C)C[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000877101631 1165974506 /nfs/dbraw/zinc/97/45/06/1165974506.db2.gz NZFKCXJJLSNISX-MRVPVSSYSA-N 1 0 269.276 1.462 20 5 CDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[NH2+]C1 ZINC000110939968 1166536753 /nfs/dbraw/zinc/53/67/53/1166536753.db2.gz PDSNPDDJSGIVBI-NSHDSACASA-N 1 0 295.314 1.948 20 5 CDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000110939845 1166537404 /nfs/dbraw/zinc/53/74/04/1166537404.db2.gz HFDDRRHXTVXZLD-SECBINFHSA-N 1 0 266.301 1.137 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@@H](O)C2)c1F ZINC001173186485 912279378 /nfs/dbraw/zinc/27/93/78/912279378.db2.gz SGKLEALWUDWXCY-NXEZZACHSA-N 1 0 298.314 1.740 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CCC[NH3+])C(=O)[O-] ZINC001173222193 912307492 /nfs/dbraw/zinc/30/74/92/912307492.db2.gz VANPGRYCODKBSB-MFKMUULPSA-N 1 0 295.339 1.308 20 5 CDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC(=O)N1 ZINC001173213151 912336985 /nfs/dbraw/zinc/33/69/85/912336985.db2.gz FXFBXUDQRHJISQ-PWSUYJOCSA-N 1 0 277.324 1.394 20 5 CDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001173238326 912367437 /nfs/dbraw/zinc/36/74/37/912367437.db2.gz PJOXEHOHIPRHBU-SWLSCSKDSA-N 1 0 275.352 1.916 20 5 CDBDRO CC1(C)OCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CO1 ZINC000230695596 912371159 /nfs/dbraw/zinc/37/11/59/912371159.db2.gz ASTRJJYITGWEHQ-UHFFFAOYSA-N 1 0 266.297 1.836 20 5 CDBDRO O=[N+]([O-])c1cc(OC2CC[NH+](C3CC3)CC2)ccn1 ZINC001233858257 913089511 /nfs/dbraw/zinc/08/95/11/913089511.db2.gz SQQMDIKPYIMRAH-UHFFFAOYSA-N 1 0 263.297 1.995 20 5 CDBDRO C[NH2+]Cc1c(C)nn(-c2cc(OC)c([N+](=O)[O-])cn2)c1C ZINC001167098219 894489300 /nfs/dbraw/zinc/48/93/00/894489300.db2.gz HTIJGLDEVFBHRQ-UHFFFAOYSA-N 1 0 291.311 1.520 20 5 CDBDRO Cc1cnc(NCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000166880013 895085206 /nfs/dbraw/zinc/08/52/06/895085206.db2.gz REMIUJWTCFAXRG-SNVBAGLBSA-N 1 0 250.302 1.852 20 5 CDBDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000136107909 898911549 /nfs/dbraw/zinc/91/15/49/898911549.db2.gz UHOQBVWGQXPYPB-ZETCQYMHSA-N 1 0 271.704 1.602 20 5 CDBDRO C[C@@H]1COC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000699811844 914295399 /nfs/dbraw/zinc/29/53/99/914295399.db2.gz YTFVPHUOUKPCKO-MFKMUULPSA-N 1 0 266.297 1.598 20 5 CDBDRO COc1nc(C)c(NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC001161668283 904990104 /nfs/dbraw/zinc/99/01/04/904990104.db2.gz AWWPEAOYCXCYGU-UHFFFAOYSA-N 1 0 254.290 1.280 20 5 CDBDRO C[NH2+]CCCc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000843218739 921284707 /nfs/dbraw/zinc/28/47/07/921284707.db2.gz FDZNPIRDSPIVQL-UHFFFAOYSA-N 1 0 268.298 1.858 20 5 CDBDRO [NH3+]Cc1cnn(-c2nccc3c2cccc3[N+](=O)[O-])c1 ZINC001168254760 907998083 /nfs/dbraw/zinc/99/80/83/907998083.db2.gz NWHQPCALOVZNQL-UHFFFAOYSA-N 1 0 269.264 1.787 20 5 CDBDRO CC(C)([NH3+])Cc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000843237751 921465681 /nfs/dbraw/zinc/46/56/81/921465681.db2.gz FOQHOJKAWMZDFF-UHFFFAOYSA-N 1 0 252.230 1.518 20 5 CDBDRO C[C@@]1(c2nc(-c3ccc([N+](=O)[O-])o3)no2)CC[NH2+]C1 ZINC000843237418 921470166 /nfs/dbraw/zinc/47/01/66/921470166.db2.gz AHZJWTXEDOQZTP-LLVKDONJSA-N 1 0 264.241 1.489 20 5 CDBDRO O=[N+]([O-])c1cc2c(cc1NC1CSC1)C[NH2+]C2 ZINC001168364974 909612596 /nfs/dbraw/zinc/61/25/96/909612596.db2.gz XEWGFTIOGBGJEC-UHFFFAOYSA-N 1 0 251.311 1.725 20 5 CDBDRO Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000714037318 909672014 /nfs/dbraw/zinc/67/20/14/909672014.db2.gz RZYOKAYXXCKWHS-OCCSQVGLSA-N 1 0 280.324 1.078 20 5 CDBDRO C[NH+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000129574662 911347213 /nfs/dbraw/zinc/34/72/13/911347213.db2.gz LGJHGLXNBRKROI-UHFFFAOYSA-N 1 0 271.704 1.540 20 5 CDBDRO C[NH2+]CCCN(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000168651557 911748382 /nfs/dbraw/zinc/74/83/82/911748382.db2.gz CEQCHXWAGAAFSX-UHFFFAOYSA-N 1 0 285.731 1.930 20 5 CDBDRO CCNC(=O)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900615 912038991 /nfs/dbraw/zinc/03/89/91/912038991.db2.gz WSELBSFFZAEWKR-CYBMUJFWSA-N 1 0 291.351 1.568 20 5 CDBDRO C[C@H](O)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896367 912052287 /nfs/dbraw/zinc/05/22/87/912052287.db2.gz OQNVNJOFPBQBBV-GWCFXTLKSA-N 1 0 264.325 1.813 20 5 CDBDRO O=C(CCO)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912720 912103023 /nfs/dbraw/zinc/10/30/23/912103023.db2.gz OQQQMZMDZGWBOV-CYBMUJFWSA-N 1 0 292.335 1.383 20 5 CDBDRO CCC1(Nc2nccc(OC)c2[N+](=O)[O-])C[NH2+]C1 ZINC001168581398 919276208 /nfs/dbraw/zinc/27/62/08/919276208.db2.gz VSDUSKGXHURJFQ-UHFFFAOYSA-N 1 0 252.274 1.162 20 5 CDBDRO C[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000827674466 936603446 /nfs/dbraw/zinc/60/34/46/936603446.db2.gz IUIOZIGCIREYMN-MNOVXSKESA-N 1 0 271.361 1.373 20 5 CDBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000702038733 922466543 /nfs/dbraw/zinc/46/65/43/922466543.db2.gz KFIWFEDGKNLNCI-VIFPVBQESA-N 1 0 299.714 1.048 20 5 CDBDRO [NH3+][C@@H]1CCCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000704330784 922867871 /nfs/dbraw/zinc/86/78/71/922867871.db2.gz RGIMPXWPUMNJAX-SECBINFHSA-N 1 0 283.715 1.812 20 5 CDBDRO CC(C)(C[NH+]1CCCC1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000837178449 936831457 /nfs/dbraw/zinc/83/14/57/936831457.db2.gz QBQPWLDBJRIPCX-UHFFFAOYSA-N 1 0 285.388 1.813 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](CO)C2)c(F)c1 ZINC000923004477 923442549 /nfs/dbraw/zinc/44/25/49/923442549.db2.gz UEDBVEBXLZBQIZ-CZMCAQCFSA-N 1 0 254.261 1.594 20 5 CDBDRO CCn1ncc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)n1 ZINC000838983985 936899310 /nfs/dbraw/zinc/89/93/10/936899310.db2.gz KMOXUDLZINMELL-UHFFFAOYSA-N 1 0 275.312 1.539 20 5 CDBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccn(C)n1 ZINC000839195659 936908676 /nfs/dbraw/zinc/90/86/76/936908676.db2.gz DMXJNWDTFOBUDY-HZMBPMFUSA-N 1 0 290.323 1.713 20 5 CDBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839721766 936921907 /nfs/dbraw/zinc/92/19/07/936921907.db2.gz SFAVXONKCAKGOO-MRVWCRGKSA-N 1 0 291.351 1.288 20 5 CDBDRO C[N@@H+]1CCC[C@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001119520513 925359093 /nfs/dbraw/zinc/35/90/93/925359093.db2.gz AKAQTOVKKJOXBW-ZDUSSCGKSA-N 1 0 275.308 1.531 20 5 CDBDRO COc1ncc([N+](=O)[O-])cc1NCC(C)(C)C[NH+](C)C ZINC001168768502 925785543 /nfs/dbraw/zinc/78/55/43/925785543.db2.gz XWABMJWFXKMSOY-UHFFFAOYSA-N 1 0 282.344 1.998 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC001154986041 926308354 /nfs/dbraw/zinc/30/83/54/926308354.db2.gz QJOXXWOCUAYRLH-RKDXNWHRSA-N 1 0 251.290 1.375 20 5 CDBDRO O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086083144 926679444 /nfs/dbraw/zinc/67/94/44/926679444.db2.gz OTDICDBFKAFJKC-XJFOESAGSA-N 1 0 295.383 1.326 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCC2(CO)CC2)c1 ZINC000843096289 937112559 /nfs/dbraw/zinc/11/25/59/937112559.db2.gz TWTLQEHBQUWUHE-CYBMUJFWSA-N 1 0 280.324 1.380 20 5 CDBDRO Nc1ccc(-c2noc([C@@]3(F)CC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000843169941 937118028 /nfs/dbraw/zinc/11/80/28/937118028.db2.gz WQQVMNHDWBFQSK-GFCCVEGCSA-N 1 0 293.258 1.385 20 5 CDBDRO Cc1cc(F)cc(C(=O)N[C@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000843462369 937153176 /nfs/dbraw/zinc/15/31/76/937153176.db2.gz AVPANNBOAPXGRH-SSDOTTSWSA-N 1 0 255.249 1.119 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCn2nnc3ccccc32)C1 ZINC001168978253 927565122 /nfs/dbraw/zinc/56/51/22/927565122.db2.gz QIJHIDDAZCOIAF-NEPJUHHUSA-N 1 0 289.339 1.466 20 5 CDBDRO CO[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168977773 927565783 /nfs/dbraw/zinc/56/57/83/927565783.db2.gz LTSMWPDSGNHJQM-RVMXOQNASA-N 1 0 256.346 1.979 20 5 CDBDRO O=C1CCCCCN1CCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168979890 927568331 /nfs/dbraw/zinc/56/83/31/927568331.db2.gz BWOSSSBWHSKBJV-KGLIPLIRSA-N 1 0 297.399 1.814 20 5 CDBDRO CCOC(=O)[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168983422 927570065 /nfs/dbraw/zinc/57/00/65/927570065.db2.gz JYJBIXZOOTZBSQ-CYDGBPFRSA-N 1 0 284.356 1.753 20 5 CDBDRO Cc1cnc(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)nc1 ZINC001168962416 927584104 /nfs/dbraw/zinc/58/41/04/927584104.db2.gz MMRSHZQWOVJJBG-VXGBXAGGSA-N 1 0 264.329 1.363 20 5 CDBDRO CCN(CC)C(=O)[C@H](C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168966487 927589643 /nfs/dbraw/zinc/58/96/43/927589643.db2.gz INBYZQIKLGBLHT-TUAOUCFPSA-N 1 0 271.361 1.278 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2(c3ccccc3)COC2)C1 ZINC001168968516 927591549 /nfs/dbraw/zinc/59/15/49/927591549.db2.gz ZSLMIEBPPNNXEA-HIFRSBDPSA-N 1 0 290.363 1.990 20 5 CDBDRO CCCCN(C)CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968453 927592149 /nfs/dbraw/zinc/59/21/49/927592149.db2.gz ZFOZCPISLYGHMI-CHWSQXEVSA-N 1 0 257.378 1.753 20 5 CDBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)nc1OC ZINC001168994631 927600897 /nfs/dbraw/zinc/60/08/97/927600897.db2.gz QQBRBELIYXVDBG-GHMZBOCLSA-N 1 0 295.339 1.634 20 5 CDBDRO CC(C)n1cncc1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168997479 927603020 /nfs/dbraw/zinc/60/30/20/927603020.db2.gz ZTFPDZABCBBJQS-RYUDHWBXSA-N 1 0 266.345 1.999 20 5 CDBDRO COCCOCCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168996931 927603025 /nfs/dbraw/zinc/60/30/25/927603025.db2.gz WWXBRGFZCSGYKV-VXGBXAGGSA-N 1 0 260.334 1.075 20 5 CDBDRO CC(C)C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)N(C)C ZINC001169002220 927605348 /nfs/dbraw/zinc/60/53/48/927605348.db2.gz JJMHYCUCNPJABS-UPJWGTAASA-N 1 0 285.388 1.524 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CN(CC(F)(F)F)C2)C1 ZINC001169001999 927605979 /nfs/dbraw/zinc/60/59/79/927605979.db2.gz IYGXGBALISCNKW-IUCAKERBSA-N 1 0 281.278 1.268 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(c3nccs3)CC2)C1 ZINC001169006448 927610752 /nfs/dbraw/zinc/61/07/52/927610752.db2.gz IIAUGQBSLWCTDF-NEPJUHHUSA-N 1 0 296.396 1.711 20 5 CDBDRO C[C@]1(O)CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169008061 927612315 /nfs/dbraw/zinc/61/23/15/927612315.db2.gz RILSWJRQCICKFM-UPJWGTAASA-N 1 0 256.346 1.669 20 5 CDBDRO CCCCC[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)NC ZINC001168988177 927624396 /nfs/dbraw/zinc/62/43/96/927624396.db2.gz OSLYAHZQGSSKTG-XQQFMLRXSA-N 1 0 285.388 1.716 20 5 CDBDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987526 927624686 /nfs/dbraw/zinc/62/46/86/927624686.db2.gz JLQZARRPDBKQAU-BPUTZDHNSA-N 1 0 292.379 1.933 20 5 CDBDRO COC(=O)C1(C)CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169033583 927641773 /nfs/dbraw/zinc/64/17/73/927641773.db2.gz CAVQHKQCCPQWPD-RYUDHWBXSA-N 1 0 284.356 1.707 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(N3CC(F)C3)CC2)C1 ZINC001169035994 927644819 /nfs/dbraw/zinc/64/48/19/927644819.db2.gz MMCDYDQDUACYFI-BXUZGUMPSA-N 1 0 285.363 1.550 20 5 CDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCC[C@@H]2CN2CCCC2)C1 ZINC001169037776 927646659 /nfs/dbraw/zinc/64/66/59/927646659.db2.gz UEGYUCDWKFWRQN-SOUVJXGZSA-N 1 0 281.400 1.992 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CC(N3CCC(F)(F)C3)C2)C1 ZINC001169037714 927648011 /nfs/dbraw/zinc/64/80/11/927648011.db2.gz TVLSRSPTCAOMIS-GHMZBOCLSA-N 1 0 289.326 1.457 20 5 CDBDRO CC[N@H+](CCn1cccn1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039072 927650315 /nfs/dbraw/zinc/65/03/15/927650315.db2.gz MWVVHUFGHFXRMJ-STQMWFEESA-N 1 0 266.345 1.650 20 5 CDBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038263 927651036 /nfs/dbraw/zinc/65/10/36/927651036.db2.gz XNIKQPYHIRBSHC-UTUOFQBUSA-N 1 0 291.355 1.405 20 5 CDBDRO CN1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1(C)C ZINC001169039152 927651412 /nfs/dbraw/zinc/65/14/12/927651412.db2.gz NSZTYQGBNQEKHV-RYUDHWBXSA-N 1 0 255.362 1.458 20 5 CDBDRO CNCC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001169042865 927656948 /nfs/dbraw/zinc/65/69/48/927656948.db2.gz GOZVYYCVZHRIHM-RYUDHWBXSA-N 1 0 257.378 1.752 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001169025467 927663429 /nfs/dbraw/zinc/66/34/29/927663429.db2.gz JGDRMUSJRLIXKV-HZSPNIEDSA-N 1 0 267.373 1.602 20 5 CDBDRO CC(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169021452 927663653 /nfs/dbraw/zinc/66/36/53/927663653.db2.gz KWUJRGSANJDKIF-QSLWVIQJSA-N 1 0 295.383 1.134 20 5 CDBDRO COC(=O)CC[N@H+](C1CC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046880 927665917 /nfs/dbraw/zinc/66/59/17/927665917.db2.gz OCQSDGULMJZLQW-ZYHUDNBSSA-N 1 0 270.329 1.459 20 5 CDBDRO CN1C(=O)CC[C@H]2C[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@H]21 ZINC001169050613 927669266 /nfs/dbraw/zinc/66/92/66/927669266.db2.gz BYIVNGXZLGEHDF-XDQVBPFNSA-N 1 0 295.383 1.375 20 5 CDBDRO COCCCCN1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169057899 927675395 /nfs/dbraw/zinc/67/53/95/927675395.db2.gz YUSTVEHWSDJWFN-CABCVRRESA-N 1 0 299.415 1.476 20 5 CDBDRO CCOC(=O)NC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169057506 927675636 /nfs/dbraw/zinc/67/56/36/927675636.db2.gz WDLPZLJMJFPTSP-WCQYABFASA-N 1 0 299.371 1.642 20 5 CDBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](CO)C(C)(C)C ZINC000776591359 927770961 /nfs/dbraw/zinc/77/09/61/927770961.db2.gz OBFSZVBSRCNDPY-UONOGXRCSA-N 1 0 296.367 1.967 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)c2ccccn2)cc1 ZINC000853063082 927941383 /nfs/dbraw/zinc/94/13/83/927941383.db2.gz ZOXNBCZGIOJJDY-HNNXBMFYSA-N 1 0 287.319 1.856 20 5 CDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000853646449 928065219 /nfs/dbraw/zinc/06/52/19/928065219.db2.gz SJVMEPPPIUDCDE-GHMZBOCLSA-N 1 0 289.339 1.771 20 5 CDBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000854497263 928219294 /nfs/dbraw/zinc/21/92/94/928219294.db2.gz LVNARYXBSLWIFX-AOOOYVTPSA-N 1 0 292.339 1.988 20 5 CDBDRO COc1ncc([N+](=O)[O-])c(NCC23CC[NH+](CC2)CC3)n1 ZINC001169794652 928442967 /nfs/dbraw/zinc/44/29/67/928442967.db2.gz UAKAFEALQQBAQI-UHFFFAOYSA-N 1 0 293.327 1.291 20 5 CDBDRO COc1cc(C)nc(N(C)[C@]2(C)CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001156957212 929080046 /nfs/dbraw/zinc/08/00/46/929080046.db2.gz UVKXEYVJKQSEGL-CQSZACIVSA-N 1 0 294.355 1.885 20 5 CDBDRO C[C@@H]([NH3+])CN(C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000863653242 929583918 /nfs/dbraw/zinc/58/39/18/929583918.db2.gz GHAGBLRJVMZWBU-SECBINFHSA-N 1 0 281.312 1.145 20 5 CDBDRO C[C@H]([NH3+])c1cn([C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000881100279 929782102 /nfs/dbraw/zinc/78/21/02/929782102.db2.gz GBKNFPVQVXVVKF-IUCAKERBSA-N 1 0 261.285 1.815 20 5 CDBDRO C[NH+](C)C1(CNc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882468766 930005729 /nfs/dbraw/zinc/00/57/29/930005729.db2.gz STPZVGUHXLNSGU-UHFFFAOYSA-N 1 0 254.265 1.635 20 5 CDBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@]([NH3+])(CC)CO ZINC001170864333 930511008 /nfs/dbraw/zinc/51/10/08/930511008.db2.gz SYEFWVVTVLRCPH-CYBMUJFWSA-N 1 0 297.311 1.241 20 5 CDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCOC2)cc1 ZINC000134755930 930576865 /nfs/dbraw/zinc/57/68/65/930576865.db2.gz UYYQMBBAMJWOOI-GWCFXTLKSA-N 1 0 266.297 1.254 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000818001020 930654034 /nfs/dbraw/zinc/65/40/34/930654034.db2.gz FISQHXGNIHFUEE-ZDUSSCGKSA-N 1 0 292.339 1.424 20 5 CDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](C)C[NH3+])CC2 ZINC000818609048 930734689 /nfs/dbraw/zinc/73/46/89/930734689.db2.gz PFJMUTBGTSQLDZ-SECBINFHSA-N 1 0 263.297 1.387 20 5 CDBDRO C[C@@H]1C[C@@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818957694 930743292 /nfs/dbraw/zinc/74/32/92/930743292.db2.gz ZGRCFVCGJKHDNY-IRUJWGPZSA-N 1 0 250.298 1.874 20 5 CDBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886120323 930809988 /nfs/dbraw/zinc/80/99/88/930809988.db2.gz BHRQOAVAWRXWEH-SNVBAGLBSA-N 1 0 253.302 1.486 20 5 CDBDRO Cc1noc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1[N+](=O)[O-] ZINC000886572891 930909243 /nfs/dbraw/zinc/90/92/43/930909243.db2.gz IAPDSPYHBNIGJD-AEJSXWLSSA-N 1 0 267.285 1.094 20 5 CDBDRO CC[NH+](CC)C1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC001116598957 937459256 /nfs/dbraw/zinc/45/92/56/937459256.db2.gz GFFILUVMYGRTIU-UHFFFAOYSA-N 1 0 279.344 1.695 20 5 CDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cccnc1[N+](=O)[O-] ZINC000886837395 930971001 /nfs/dbraw/zinc/97/10/01/930971001.db2.gz GNACCRLHFDTJMW-QWRGUYRKSA-N 1 0 268.292 1.122 20 5 CDBDRO C[C@H](C[NH3+])c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000822791051 931203993 /nfs/dbraw/zinc/20/39/93/931203993.db2.gz NYBCCEXQEOWIHB-SECBINFHSA-N 1 0 291.311 1.695 20 5 CDBDRO CC(C)(CCc1noc(CC2(C[NH3+])CC2)n1)[N+](=O)[O-] ZINC000823234945 931271420 /nfs/dbraw/zinc/27/14/20/931271420.db2.gz NMTHJFIGLVPIQB-UHFFFAOYSA-N 1 0 268.317 1.339 20 5 CDBDRO O=[N+]([O-])c1ccc(-c2noc(CC[NH2+]C3CC3)n2)cc1 ZINC000037606186 931294101 /nfs/dbraw/zinc/29/41/01/931294101.db2.gz CKFCVXTWGBICOY-UHFFFAOYSA-N 1 0 274.280 1.939 20 5 CDBDRO CN(C)c1ncccc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC001117541936 937532376 /nfs/dbraw/zinc/53/23/76/937532376.db2.gz XTTIKZJXNQYOQF-UHFFFAOYSA-N 1 0 290.327 1.042 20 5 CDBDRO COC(=O)c1cc([N+](=O)[O-])c(NCC(C)(C)[NH3+])cc1OC ZINC001171193251 931853297 /nfs/dbraw/zinc/85/32/97/931853297.db2.gz UXEDHFTUAPQSDX-UHFFFAOYSA-N 1 0 297.311 1.539 20 5 CDBDRO CC[C@H](C[NH+]1CCCC1)Nc1ncc([N+](=O)[O-])c(C)n1 ZINC001117795423 937553830 /nfs/dbraw/zinc/55/38/30/937553830.db2.gz UNAYYJSXXPEHFP-LLVKDONJSA-N 1 0 279.344 1.980 20 5 CDBDRO O=[N+]([O-])c1cccc(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)n1 ZINC001160737654 932085308 /nfs/dbraw/zinc/08/53/08/932085308.db2.gz QJNRUAJRWFHCMR-SFYZADRCSA-N 1 0 290.245 1.942 20 5 CDBDRO C[C@@H]1C[C@@H](CNc2ncc(F)cc2[N+](=O)[O-])C[NH2+]1 ZINC001155101478 937635113 /nfs/dbraw/zinc/63/51/13/937635113.db2.gz XADMFAYQFZPFEV-HTQZYQBOSA-N 1 0 254.265 1.539 20 5 CDBDRO [NH3+]Cc1ccnn1-c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001155124368 937638261 /nfs/dbraw/zinc/63/82/61/937638261.db2.gz HTYDPRKNPOUNTO-UHFFFAOYSA-N 1 0 258.241 1.116 20 5 CDBDRO COc1cc(N[C@H]2C[NH+]3CCC2CC3)ncc1[N+](=O)[O-] ZINC001155662462 937661472 /nfs/dbraw/zinc/66/14/72/937661472.db2.gz FETMVHSCURYPED-JTQLQIEISA-N 1 0 278.312 1.505 20 5 CDBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000929964138 933291831 /nfs/dbraw/zinc/29/18/31/933291831.db2.gz BRSJDFJAPJCUFP-JHJVBQTASA-N 1 0 255.362 1.600 20 5 CDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2C ZINC000930216120 933338085 /nfs/dbraw/zinc/33/80/85/933338085.db2.gz YOPLGJHVPIDTNJ-VIFPVBQESA-N 1 0 263.297 1.133 20 5 CDBDRO O=[N+]([O-])CC[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000930568395 933403358 /nfs/dbraw/zinc/40/33/58/933403358.db2.gz LFFNCINUTXZNPG-UHFFFAOYSA-N 1 0 282.315 1.784 20 5 CDBDRO CC(C)(C)OC(=O)NCC[C@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000932695309 933747109 /nfs/dbraw/zinc/74/71/09/933747109.db2.gz MXNCHPPMQXTZHK-NSHDSACASA-N 1 0 287.360 1.500 20 5 CDBDRO CC[N@H+](CCC(=O)NC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000933859208 933865881 /nfs/dbraw/zinc/86/58/81/933865881.db2.gz JKGNBUBWMFFCAJ-UHFFFAOYSA-N 1 0 283.303 1.692 20 5 CDBDRO C[C@@H](Cc1cccnc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000934233965 933912920 /nfs/dbraw/zinc/91/29/20/933912920.db2.gz MDAGWBQTDAEJGX-NSHDSACASA-N 1 0 275.312 1.407 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000049096525 934409059 /nfs/dbraw/zinc/40/90/59/934409059.db2.gz DSIUCDDSTFVBOS-SNVBAGLBSA-N 1 0 278.312 1.001 20 5 CDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC001120356618 937795490 /nfs/dbraw/zinc/79/54/90/937795490.db2.gz XIOVOGOWCDHQIP-HUTHGQBESA-N 1 0 256.327 1.351 20 5 CDBDRO Cc1c(C[NH2+]C[C@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000037999649 934843035 /nfs/dbraw/zinc/84/30/35/934843035.db2.gz YSIZHJOAMLITKU-LLVKDONJSA-N 1 0 298.364 1.428 20 5 CDBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1(CO)CC1 ZINC000796500347 935310923 /nfs/dbraw/zinc/31/09/23/935310923.db2.gz GAROVDABSUHEEY-LBPRGKRZSA-N 1 0 266.297 1.085 20 5 CDBDRO CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001019898244 935719815 /nfs/dbraw/zinc/71/98/15/935719815.db2.gz SCSGANUPHRUQAI-HAQNSBGRSA-N 1 0 277.324 1.742 20 5 CDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001120826533 937839203 /nfs/dbraw/zinc/83/92/03/937839203.db2.gz ANMDZXXZNRMQFO-JQWIXIFHSA-N 1 0 291.355 1.493 20 5 CDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1cc(N)c([N+](=O)[O-])cn1 ZINC001120932223 937848420 /nfs/dbraw/zinc/84/84/20/937848420.db2.gz POIHEMXYMNSROG-MNOVXSKESA-N 1 0 291.355 1.635 20 5 CDBDRO [NH3+][C@H]1C[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001122490461 937936667 /nfs/dbraw/zinc/93/66/67/937936667.db2.gz XXRQTCXYRXYPKI-LJGSYFOKSA-N 1 0 269.688 1.468 20 5 CDBDRO [NH3+]CCc1ccn(-c2ncc(Cl)cc2[N+](=O)[O-])n1 ZINC001156897998 938431037 /nfs/dbraw/zinc/43/10/37/938431037.db2.gz AWAQCJIWPOUOCC-UHFFFAOYSA-N 1 0 267.676 1.330 20 5 CDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001157467978 938497408 /nfs/dbraw/zinc/49/74/08/938497408.db2.gz KLILQHCNUZOPNP-CQSZACIVSA-N 1 0 292.339 1.341 20 5 CDBDRO Cc1cc([N+](=O)[O-])c(N2C[C@@H]3C[NH2+][C@@H]3C2)nc1Cl ZINC001157619735 938521173 /nfs/dbraw/zinc/52/11/73/938521173.db2.gz JEVQJQFRDOJYPK-JGVFFNPUSA-N 1 0 268.704 1.360 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@](F)(C[NH3+])C2)n1 ZINC001157819033 938551474 /nfs/dbraw/zinc/55/14/74/938551474.db2.gz UVWCGQFMPAQZAK-GFCCVEGCSA-N 1 0 268.292 1.484 20 5 CDBDRO [NH3+][C@@H]1CCc2nn(-c3cc([N+](=O)[O-])c4cc[nH]c4n3)cc2C1 ZINC001157985289 938571852 /nfs/dbraw/zinc/57/18/52/938571852.db2.gz QWEMGCQEQOZXJG-SECBINFHSA-N 1 0 298.306 1.473 20 5 CDBDRO COc1cnc(-n2cnc3ccc(C[NH3+])cc32)c([N+](=O)[O-])c1 ZINC001158005544 938574667 /nfs/dbraw/zinc/57/46/67/938574667.db2.gz AKJGATLBIRSEJF-UHFFFAOYSA-N 1 0 299.290 1.796 20 5 CDBDRO CCOc1nc(N2CC[N@@H+]3CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001158433914 938625762 /nfs/dbraw/zinc/62/57/62/938625762.db2.gz PRTHSPIUIIGRDQ-SNVBAGLBSA-N 1 0 278.312 1.283 20 5 CDBDRO COc1cc(C)nc(N2CCC[C@@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001158675318 938648914 /nfs/dbraw/zinc/64/89/14/938648914.db2.gz LFOMYOXQHKIFQI-AWEZNQCLSA-N 1 0 294.355 1.872 20 5 CDBDRO O=[N+]([O-])c1cccc2nc(N[C@H]3C[NH2+]C[C@H]3CO)ccc21 ZINC001159678863 938744623 /nfs/dbraw/zinc/74/46/23/938744623.db2.gz RIBQLQFWJZKFFJ-CABZTGNLSA-N 1 0 288.307 1.135 20 5 CDBDRO Cc1nc(NCC[C@H]2CCC[N@H+]2C)ncc1[N+](=O)[O-] ZINC001160967821 938852055 /nfs/dbraw/zinc/85/20/55/938852055.db2.gz CHSXWAOOCCQBNW-SNVBAGLBSA-N 1 0 265.317 1.589 20 5 CDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1ccc2nsnc2c1[N+](=O)[O-] ZINC001162677417 939113020 /nfs/dbraw/zinc/11/30/20/939113020.db2.gz HBQGUQYHFOSKKA-RNFRBKRXSA-N 1 0 279.325 1.762 20 5 CDBDRO O=[N+]([O-])c1ccc(Cl)c(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)c1 ZINC001163141657 939212177 /nfs/dbraw/zinc/21/21/77/939212177.db2.gz QVNAVIVJRBTWLX-GGZOMVNGSA-N 1 0 283.715 1.647 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)n1 ZINC001163172523 939219556 /nfs/dbraw/zinc/21/95/56/939219556.db2.gz UMVHMGXMYRTXLE-NQBHXWOUSA-N 1 0 292.339 1.335 20 5 CDBDRO CC(C)N(c1ccc([N+](=O)[O-])c(N)n1)C(C)(C)C[NH3+] ZINC001163188306 939221976 /nfs/dbraw/zinc/22/19/76/939221976.db2.gz SFENCDOVZKMKKR-UHFFFAOYSA-N 1 0 267.333 1.524 20 5 CDBDRO O=[N+]([O-])c1nccnc1N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001163219946 939228207 /nfs/dbraw/zinc/22/82/07/939228207.db2.gz IITGNJBVDTXMCK-MRVPVSSYSA-N 1 0 277.309 1.703 20 5 CDBDRO C[C@H]1CC[C@H](C[NH3+])N(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC001164066854 939403773 /nfs/dbraw/zinc/40/37/73/939403773.db2.gz APYIDPGZLSHROS-WCBMZHEXSA-N 1 0 268.292 1.693 20 5 CDBDRO COc1ccnc(N(CCC[NH3+])C(C)C)c1[N+](=O)[O-] ZINC001164122717 939413237 /nfs/dbraw/zinc/41/32/37/939413237.db2.gz NHPWKQJYVFQJRG-UHFFFAOYSA-N 1 0 268.317 1.562 20 5 CDBDRO CC(=O)Nc1ccc(N2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001164286670 939447138 /nfs/dbraw/zinc/44/71/38/939447138.db2.gz VICQXEKPUIBZPA-VIFPVBQESA-N 1 0 264.285 1.091 20 5 CDBDRO Cc1cc(Cl)nc(-n2cnc3c2C[NH2+]CC3)c1[N+](=O)[O-] ZINC001164314041 939452696 /nfs/dbraw/zinc/45/26/96/939452696.db2.gz ZIKGNARTSVOOHI-UHFFFAOYSA-N 1 0 293.714 1.783 20 5 CDBDRO C[NH+](C)C1(C)CN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001165118169 939512278 /nfs/dbraw/zinc/51/22/78/939512278.db2.gz POLGJDAFDUQASY-UHFFFAOYSA-N 1 0 281.272 1.038 20 5 CDBDRO COc1nc(N2CC[N@H+](C(C)C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC001165198822 939522359 /nfs/dbraw/zinc/52/23/59/939522359.db2.gz JEBWKKADWPFNAB-SNVBAGLBSA-N 1 0 295.343 1.312 20 5 CDBDRO Cc1ncc([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC001165236061 939530663 /nfs/dbraw/zinc/53/06/63/939530663.db2.gz DVNFTYUVQQHELA-ZDUSSCGKSA-N 1 0 277.328 1.273 20 5 CDBDRO Nc1cc([N+](=O)[O-])cnc1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001165242636 939531713 /nfs/dbraw/zinc/53/17/13/939531713.db2.gz ITHUMKRAYGJIQE-CYBMUJFWSA-N 1 0 277.328 1.152 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3C[C@@]3([NH3+])C2)n1 ZINC001165327840 939545840 /nfs/dbraw/zinc/54/58/40/939545840.db2.gz QCFJLUOLOLVIPU-GXFFZTMASA-N 1 0 262.313 1.534 20 5 CDBDRO Cc1nc2c(n1-c1nccc(C)c1[N+](=O)[O-])CC[NH2+]CC2 ZINC001165352367 939550052 /nfs/dbraw/zinc/55/00/52/939550052.db2.gz RHVWIJHVBWXVHN-UHFFFAOYSA-N 1 0 287.323 1.481 20 5 CDBDRO Cc1cnc(N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)c([N+](=O)[O-])c1 ZINC001165427497 939563084 /nfs/dbraw/zinc/56/30/84/939563084.db2.gz PTFASBOOFHHLLI-GHMZBOCLSA-N 1 0 294.330 1.811 20 5 CDBDRO Cc1ccnc(-n2c(=N)sc3c2CC[NH2+]C3)c1[N+](=O)[O-] ZINC001166860128 939645507 /nfs/dbraw/zinc/64/55/07/939645507.db2.gz QIKZZPJYVYCLOE-UHFFFAOYSA-N 1 0 291.336 1.276 20 5 CDBDRO [NH3+][C@H]1CCN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1(F)F ZINC001166959054 939660464 /nfs/dbraw/zinc/66/04/64/939660464.db2.gz QATJGFUYMCUSDN-VIFPVBQESA-N 1 0 297.265 1.644 20 5 CDBDRO C[C@@H](C[N+](C)(C)C)OC[C@H]1COc2ccccc2O1 ZINC001206348105 940023728 /nfs/dbraw/zinc/02/37/28/940023728.db2.gz WSUGIGCFOZLHLA-STQMWFEESA-N 1 0 266.361 1.938 20 5 CDBDRO CCOC(=O)c1cnc(N)n1-c1ccc(F)cc1[N+](=O)[O-] ZINC001210949673 940723253 /nfs/dbraw/zinc/72/32/53/940723253.db2.gz LDDNUBAQKHMNNR-UHFFFAOYSA-N 1 0 294.242 1.679 20 5 CDBDRO Nc1ccc(O[C@H]2CC[C@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001218122608 941040830 /nfs/dbraw/zinc/04/08/30/941040830.db2.gz HRIBDUDRMFIGCY-QWHCGFSZSA-N 1 0 263.297 1.698 20 5 CDBDRO C[C@H](C[N+](C)(C)C)OCC(=O)c1cccc(O)c1 ZINC001222216577 941575300 /nfs/dbraw/zinc/57/53/00/941575300.db2.gz INGSGVUNELEXRL-LLVKDONJSA-O 1 0 252.334 1.686 20 5 CDBDRO CC(=O)c1ccc(F)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225945145 941932590 /nfs/dbraw/zinc/93/25/90/941932590.db2.gz DGGCMWNUXPCTOL-GFCCVEGCSA-N 1 0 298.334 1.391 20 5 CDBDRO COC(=O)COc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001226225619 941970563 /nfs/dbraw/zinc/97/05/63/941970563.db2.gz DJDBAJITZAOUTI-LBPRGKRZSA-N 1 0 282.360 1.712 20 5 CDBDRO COc1cc(O[C@@H]2CCC[N@H+](C)CC2)ncc1[N+](=O)[O-] ZINC001226581524 942029834 /nfs/dbraw/zinc/02/98/34/942029834.db2.gz SRRFEHHBRSXOJA-SNVBAGLBSA-N 1 0 281.312 1.862 20 5 CDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc2[nH]ccc2cc1O ZINC001228030221 942259440 /nfs/dbraw/zinc/25/94/40/942259440.db2.gz QAHDQVDEUNVCLY-LLVKDONJSA-O 1 0 293.343 1.236 20 5 CDBDRO CSc1nc(C)cc(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001228911510 942391742 /nfs/dbraw/zinc/39/17/42/942391742.db2.gz IAIOHMZWLKVUDG-JTQLQIEISA-N 1 0 256.395 1.980 20 5 CDBDRO Cc1nc2cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc2o1 ZINC001229073127 942413782 /nfs/dbraw/zinc/41/37/82/942413782.db2.gz PZJAXRILMLISSE-LLVKDONJSA-N 1 0 293.343 1.499 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(OC2CC[NH+](C)CC2)n1 ZINC001234879604 943965735 /nfs/dbraw/zinc/96/57/35/943965735.db2.gz QQGHYSRGYYZMBF-UHFFFAOYSA-N 1 0 267.285 1.471 20 5 CDBDRO C[C@@H](CCC[NH3+])NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261377434 946086661 /nfs/dbraw/zinc/08/66/61/946086661.db2.gz RZUUQELMJMIIRB-JTQLQIEISA-N 1 0 292.339 1.747 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)[C@H]1CCOC1 ZINC001254548113 947517531 /nfs/dbraw/zinc/51/75/31/947517531.db2.gz KCPVFEJUOHVGAD-XBFCOCLRSA-N 1 0 294.351 1.513 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC(=O)NC1 ZINC001254540772 947518682 /nfs/dbraw/zinc/51/86/82/947518682.db2.gz WFDMBWPGABLYNO-YPMHNXCESA-N 1 0 291.351 1.784 20 5 CDBDRO CN1CCC[C@@H]1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572578 947532360 /nfs/dbraw/zinc/53/23/60/947532360.db2.gz QNWDYANVXLWXKF-UKRRQHHQSA-N 1 0 275.352 1.746 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1(F)COC1)C2 ZINC001254574116 947532796 /nfs/dbraw/zinc/53/27/96/947532796.db2.gz GHPQGYBRETYFHD-LLVKDONJSA-N 1 0 266.272 1.390 20 5 CDBDRO C[C@@]1(O)C[C@H](C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254576825 947534962 /nfs/dbraw/zinc/53/49/62/947534962.db2.gz ZXYWBJLWSJNSMY-YVLXSGLVSA-N 1 0 276.336 1.813 20 5 CDBDRO COCC(COC)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254576613 947535493 /nfs/dbraw/zinc/53/54/93/947535493.db2.gz YVDHCDTXDLSBCW-LBPRGKRZSA-N 1 0 280.324 1.313 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1C[C@@H]3COC[C@@H]3C1)C2 ZINC001254592469 947543990 /nfs/dbraw/zinc/54/39/90/947543990.db2.gz DONLBQPSRDLBHJ-VNHYZAJKSA-N 1 0 274.320 1.640 20 5 CDBDRO NC(=O)[C@@H]1CCC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596405 947547162 /nfs/dbraw/zinc/54/71/62/947547162.db2.gz DJDBEOIFICFVTR-STQMWFEESA-N 1 0 275.308 1.012 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[N@@H+]3CC[C@H]3C1)C2 ZINC001254605696 947552081 /nfs/dbraw/zinc/55/20/81/947552081.db2.gz CQOYWWPOSQCTPA-GJZGRUSLSA-N 1 0 273.336 1.452 20 5 CDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@@H]1CC[NH2+]C[C@H]1F)C2 ZINC001246088606 947939151 /nfs/dbraw/zinc/93/91/51/947939151.db2.gz VINVEBSBAAIBTI-MRVWCRGKSA-N 1 0 279.315 1.352 20 5 CDBDRO CCC1([NH3+])CN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001246896316 948505874 /nfs/dbraw/zinc/50/58/74/948505874.db2.gz WSJONIDYVROREI-LLVKDONJSA-N 1 0 293.367 1.958 20 5 CDBDRO C[NH+]1CCC(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001252410738 951239299 /nfs/dbraw/zinc/23/92/99/951239299.db2.gz RROZABXVOWFNOJ-UHFFFAOYSA-N 1 0 289.335 1.779 20 5 CDBDRO CC(C)(C)[NH+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC001324411617 953377880 /nfs/dbraw/zinc/37/78/80/953377880.db2.gz KUJOUWFYOBZVSE-UHFFFAOYSA-N 1 0 285.388 1.765 20 5 CDBDRO Cc1nc(N2CC[N@@H+](C)C(C)(C)C2)ncc1[N+](=O)[O-] ZINC001329290141 955799600 /nfs/dbraw/zinc/79/96/00/955799600.db2.gz CNLBLRGHMZUTNS-UHFFFAOYSA-N 1 0 265.317 1.224 20 5 CDBDRO CO[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC001307780099 956438589 /nfs/dbraw/zinc/43/85/89/956438589.db2.gz DNWFKRJTLQZSGM-PWSUYJOCSA-N 1 0 268.317 1.148 20 5 CDBDRO C[C@@H]([NH2+]C[C@H](O)C(C)(C)O)c1ccc([N+](=O)[O-])cc1 ZINC001308071281 956464765 /nfs/dbraw/zinc/46/47/65/956464765.db2.gz YLUZRDBRMRODHF-SKDRFNHKSA-N 1 0 268.313 1.377 20 5 CDBDRO COC(=O)c1ccc([N+](=O)[O-])c(OC[C@@H]2CCC[NH2+]C2)c1 ZINC001332134093 957445796 /nfs/dbraw/zinc/44/57/96/957445796.db2.gz AHTVJUOSJXXVIQ-SNVBAGLBSA-N 1 0 294.307 1.760 20 5 CDBDRO CC(C)(C)[NH+]1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001317902625 957809936 /nfs/dbraw/zinc/80/99/36/957809936.db2.gz XUBRPTPEDASJDJ-UHFFFAOYSA-N 1 0 267.333 1.165 20 5 CDBDRO C[C@@]1(CO)CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001319965604 958819062 /nfs/dbraw/zinc/81/90/62/958819062.db2.gz SPUXTCLIXAPVHM-LSDHHAIUSA-N 1 0 294.351 1.723 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCN2CC=CCC2)c1 ZINC001335382412 959756420 /nfs/dbraw/zinc/75/64/20/959756420.db2.gz QILBOFVPUHWBRW-OAHLLOKOSA-N 1 0 291.351 1.480 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001335595282 959918826 /nfs/dbraw/zinc/91/88/26/959918826.db2.gz GYFVPFMNXPHNKB-GHMZBOCLSA-N 1 0 294.355 1.953 20 5 CDBDRO C[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC001335883147 960078417 /nfs/dbraw/zinc/07/84/17/960078417.db2.gz XDQBTPRGRYXISR-MFKMUULPSA-N 1 0 267.329 1.168 20 5 CDBDRO CC(C)[N@@H+]1CC[C@@H](CNc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001336490823 960365267 /nfs/dbraw/zinc/36/52/67/960365267.db2.gz IJBQGROLPAKHBE-JTQLQIEISA-N 1 0 279.344 1.714 20 5 CDBDRO CC[NH+](CC)C1CCN(Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC001337453226 961204633 /nfs/dbraw/zinc/20/46/33/961204633.db2.gz UHVSKNRSDZMEHN-UHFFFAOYSA-N 1 0 295.387 1.863 20 5 CDBDRO C[C@H](CCNc1cc(N)c([N+](=O)[O-])cn1)[NH+](C)C ZINC001337925318 961519773 /nfs/dbraw/zinc/51/97/73/961519773.db2.gz KKJAKNBLPVPNCP-MRVPVSSYSA-N 1 0 253.306 1.324 20 5 CDBDRO CC[NH+](CC)C1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001340018194 962688364 /nfs/dbraw/zinc/68/83/64/962688364.db2.gz WWXHSMYBYHSIAH-UHFFFAOYSA-N 1 0 295.343 1.264 20 5 CDBDRO [NH3+][C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001340262532 962847287 /nfs/dbraw/zinc/84/72/87/962847287.db2.gz QOZBNGDWEFJGNR-MGPQQGTHSA-N 1 0 289.335 1.552 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001341159205 963301959 /nfs/dbraw/zinc/30/19/59/963301959.db2.gz RYQGRKRPQKUOIM-VHSXEESVSA-N 1 0 293.298 1.415 20 5 CDBDRO Cc1cccc(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC001341277399 963347428 /nfs/dbraw/zinc/34/74/28/963347428.db2.gz MAUFBMQQNWBAKL-NWDGAFQWSA-N 1 0 289.335 1.585 20 5 CDBDRO CO[C@H]1C[NH2+][C@@](C)(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C1 ZINC001342134917 963649320 /nfs/dbraw/zinc/64/93/20/963649320.db2.gz GQTDUMNCFNQWOD-TZMCWYRMSA-N 1 0 293.323 1.609 20 5 CDBDRO CN1CCC[NH+]=C1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000849007427 969400823 /nfs/dbraw/zinc/40/08/23/969400823.db2.gz MZKJGWMOIZFNSN-UHFFFAOYSA-N 1 0 278.312 1.255 20 5 CDBDRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c(F)cccc1[N+](=O)[O-])C2 ZINC001358500455 969747675 /nfs/dbraw/zinc/74/76/75/969747675.db2.gz JRPPFWCEMUGQPV-GUBZILKMSA-N 1 0 293.298 1.686 20 5 CDBDRO Cc1cc(NC(=O)[C@]23CC[C@H]2C[NH2+]C3)cc([N+](=O)[O-])c1 ZINC001515789140 969917412 /nfs/dbraw/zinc/91/74/12/969917412.db2.gz LRHONXOPBCWGEX-HZMBPMFUSA-N 1 0 275.308 1.841 20 5 CDBDRO O=C(CCCF)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001132461712 1163309920 /nfs/dbraw/zinc/30/99/20/1163309920.db2.gz XPNTXIFYBYQLFN-UHFFFAOYSA-N 1 0 283.303 1.550 20 5 CDBDRO CCCN(c1cc(C)c([N+](=O)[O-])cn1)[C@@H]1CC[NH2+]C1 ZINC000092027687 1174352534 /nfs/dbraw/zinc/35/25/34/1174352534.db2.gz JWBSDYZRWMVJIO-LLVKDONJSA-N 1 0 264.329 1.877 20 5 CDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCCC[NH2+]1 ZINC001574323405 1170948618 /nfs/dbraw/zinc/94/86/18/1170948618.db2.gz AFNHHKHWUHRSAR-CYBMUJFWSA-N 1 0 277.324 1.396 20 5 CDBDRO CC(C)[C@@H]1C[C@H]1NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001575828239 1171278947 /nfs/dbraw/zinc/27/89/47/1171278947.db2.gz IAPLWVBZTHNNSA-GUTXKFCHSA-N 1 0 291.351 1.929 20 5 CDBDRO CC[NH+]1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000150221088 342473703 /nfs/dbraw/zinc/47/37/03/342473703.db2.gz KCXFUDYLWGNLAZ-UHFFFAOYSA-N 1 0 263.341 1.775 20 5 CDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000601183961 342489120 /nfs/dbraw/zinc/48/91/20/342489120.db2.gz DWWUVIQQEZKHBO-NWDGAFQWSA-N 1 0 293.371 1.508 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000237494370 342060425 /nfs/dbraw/zinc/06/04/25/342060425.db2.gz DHFJBGILWHQHPI-QWRGUYRKSA-N 1 0 292.339 1.345 20 5 CDBDRO Cc1ccc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)nc1 ZINC000590754672 342587899 /nfs/dbraw/zinc/58/78/99/342587899.db2.gz NEIXFARFXFEVKI-UHFFFAOYSA-N 1 0 275.312 1.627 20 5 CDBDRO CC[NH2+]CCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135217696 342070515 /nfs/dbraw/zinc/07/05/15/342070515.db2.gz QCKADFVATNIOAF-UHFFFAOYSA-N 1 0 269.276 1.463 20 5 CDBDRO C[N@H+](CCCCNC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC1 ZINC000457197749 365631611 /nfs/dbraw/zinc/63/16/11/365631611.db2.gz JMSVVKLGCYSLIE-UHFFFAOYSA-N 1 0 280.328 1.527 20 5 CDBDRO COCC[N@@H+]1CC[C@@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000609350691 342103672 /nfs/dbraw/zinc/10/36/72/342103672.db2.gz JNXMUPWBCMHBLQ-SNVBAGLBSA-N 1 0 266.301 1.122 20 5 CDBDRO O=[N+]([O-])c1ccccc1/C=C/CNC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591281610 342624124 /nfs/dbraw/zinc/62/41/24/342624124.db2.gz FFLRYFGDXQLFRM-CDBNLRSOSA-N 1 0 279.315 1.898 20 5 CDBDRO CC[NH2+][C@H](C)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591279379 342624171 /nfs/dbraw/zinc/62/41/71/342624171.db2.gz XHCLWFFGEXHNQZ-SNVBAGLBSA-N 1 0 295.339 1.454 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C)[NH3+] ZINC000591298995 342624505 /nfs/dbraw/zinc/62/45/05/342624505.db2.gz VHQJEMXYSFVLKF-MRVPVSSYSA-N 1 0 252.274 1.372 20 5 CDBDRO O=[N+]([O-])c1cccnc1N1CCC2(CC[NH2+]C2)CC1 ZINC000591442248 342632399 /nfs/dbraw/zinc/63/23/99/342632399.db2.gz LSOOFHDPWNJLBZ-UHFFFAOYSA-N 1 0 262.313 1.570 20 5 CDBDRO CC1(C)C[NH2+][C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000591670603 342641322 /nfs/dbraw/zinc/64/13/22/342641322.db2.gz DBEIZGXQZBNSLN-LBPRGKRZSA-N 1 0 292.339 1.121 20 5 CDBDRO C[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CO1 ZINC000592378258 342687114 /nfs/dbraw/zinc/68/71/14/342687114.db2.gz CJIIUFKGQLMRGX-KOLCDFICSA-N 1 0 294.307 1.633 20 5 CDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000154028877 342154452 /nfs/dbraw/zinc/15/44/52/342154452.db2.gz FNOYSHVMWQVQTJ-GHMZBOCLSA-N 1 0 293.323 1.312 20 5 CDBDRO O=c1c([N+](=O)[O-])cc(Cl)cn1C[C@H]1CC[NH2+]C1 ZINC000592161610 342670817 /nfs/dbraw/zinc/67/08/17/342670817.db2.gz RCRHXGDMPQZXFX-ZETCQYMHSA-N 1 0 257.677 1.019 20 5 CDBDRO O=C(C[C@@H]1CC[NH2+]C1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000592136575 342672483 /nfs/dbraw/zinc/67/24/83/342672483.db2.gz SAXLLBNBBWUYBK-NSHDSACASA-N 1 0 293.323 1.089 20 5 CDBDRO CO[C@H]1COC[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000289890545 361883719 /nfs/dbraw/zinc/88/37/19/361883719.db2.gz SRWRRASSXYCLKZ-AAEUAGOBSA-N 1 0 266.297 1.407 20 5 CDBDRO C[C@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000593726446 342829467 /nfs/dbraw/zinc/82/94/67/342829467.db2.gz HZERAIGWLOXVOX-JQWIXIFHSA-N 1 0 279.340 1.717 20 5 CDBDRO C[C@@H](CF)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000588930539 342237471 /nfs/dbraw/zinc/23/74/71/342237471.db2.gz LSBNOCXYTRUSRN-QMMMGPOBSA-N 1 0 270.260 1.814 20 5 CDBDRO C[N@H+](CCOCC[NH3+])CCc1ccc([N+](=O)[O-])cc1 ZINC000600734622 342246112 /nfs/dbraw/zinc/24/61/12/342246112.db2.gz IICRMCKNVLKULJ-UHFFFAOYSA-N 1 0 267.329 1.044 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)nc1 ZINC000594600459 342929906 /nfs/dbraw/zinc/92/99/06/342929906.db2.gz LIWFZFLZYRDBSJ-VXGBXAGGSA-N 1 0 277.328 1.814 20 5 CDBDRO C[C@@H]1C[NH+](CCCNc2c([N+](=O)[O-])ncn2C)C[C@@H](C)O1 ZINC000023619363 342282816 /nfs/dbraw/zinc/28/28/16/342282816.db2.gz VGSUQYRZSALPAD-GHMZBOCLSA-N 1 0 297.359 1.240 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCOCCO ZINC000595002946 342995216 /nfs/dbraw/zinc/99/52/16/342995216.db2.gz CBSOGHSGUJRACF-SNVBAGLBSA-N 1 0 284.312 1.263 20 5 CDBDRO CC[N@H+](CC(=O)NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000126219667 187224675 /nfs/dbraw/zinc/22/46/75/187224675.db2.gz WQXSINRFHSXRNF-UHFFFAOYSA-N 1 0 277.324 1.695 20 5 CDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000075956518 342316729 /nfs/dbraw/zinc/31/67/29/342316729.db2.gz NVKGHFGSUDOYKY-VIFPVBQESA-N 1 0 266.301 1.089 20 5 CDBDRO C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000075766112 342317210 /nfs/dbraw/zinc/31/72/10/342317210.db2.gz JJLOBCZOZSFACX-WZRBSPASSA-N 1 0 282.344 1.273 20 5 CDBDRO C[C@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000076111668 342318789 /nfs/dbraw/zinc/31/87/89/342318789.db2.gz NFHJRBTXIBNLHI-SCRDCRAPSA-N 1 0 294.351 1.922 20 5 CDBDRO C[N@@H+]1CC[C@]2(C1)CCCN(CCn1cc([N+](=O)[O-])cn1)C2 ZINC000595503694 343079179 /nfs/dbraw/zinc/07/91/79/343079179.db2.gz AGGCBDHNQBFOBG-AWEZNQCLSA-N 1 0 293.371 1.209 20 5 CDBDRO Nc1nc(N2CC[NH+](C3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000076650577 342322811 /nfs/dbraw/zinc/32/28/11/342322811.db2.gz NCPIPLUWOYXNSM-UHFFFAOYSA-N 1 0 292.343 1.032 20 5 CDBDRO CC[NH+](CC)CC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000299275467 362010554 /nfs/dbraw/zinc/01/05/54/362010554.db2.gz KNKNQFFPXSIKDH-UHFFFAOYSA-N 1 0 295.339 1.561 20 5 CDBDRO C[C@H]1C[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235722249 362039622 /nfs/dbraw/zinc/03/96/22/362039622.db2.gz VDQKPIXGUKHIJP-WCBMZHEXSA-N 1 0 281.287 1.604 20 5 CDBDRO CC(=O)N1CC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000565844680 365732689 /nfs/dbraw/zinc/73/26/89/365732689.db2.gz YVALMGPSWYKDSH-VIFPVBQESA-N 1 0 263.297 1.476 20 5 CDBDRO CC[C@H]([NH2+]C)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000595933626 343185600 /nfs/dbraw/zinc/18/56/00/343185600.db2.gz IYGYLCVRBDJIPA-JTQLQIEISA-N 1 0 263.297 1.482 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000595983574 343211139 /nfs/dbraw/zinc/21/11/39/343211139.db2.gz PCVBNSTVASEXEP-VIFPVBQESA-N 1 0 288.307 1.481 20 5 CDBDRO Nc1ccc(N2CCC([C@H]3CCC[NH2+]3)CC2)nc1[N+](=O)[O-] ZINC000596015899 343219029 /nfs/dbraw/zinc/21/90/29/343219029.db2.gz JFALOCJRCMEZLU-GFCCVEGCSA-N 1 0 291.355 1.540 20 5 CDBDRO CC[C@@H]([NH2+]C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000595925352 343193163 /nfs/dbraw/zinc/19/31/63/343193163.db2.gz ZPRNWPWQMRXFNZ-SNVBAGLBSA-N 1 0 251.286 1.840 20 5 CDBDRO Nc1c(F)c(N[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596087192 343233201 /nfs/dbraw/zinc/23/32/01/343233201.db2.gz GGLYUGJURDWRDP-MRVPVSSYSA-N 1 0 280.303 1.965 20 5 CDBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596162997 343256809 /nfs/dbraw/zinc/25/68/09/343256809.db2.gz PXSVGXSYQJZISR-NSHDSACASA-N 1 0 293.371 1.384 20 5 CDBDRO Nc1ccc(NC[C@@H]2CCCC[N@@H+]2C2CC2)nc1[N+](=O)[O-] ZINC000596211561 343267884 /nfs/dbraw/zinc/26/78/84/343267884.db2.gz UINUIGYMPONRAZ-NSHDSACASA-N 1 0 291.355 1.423 20 5 CDBDRO CC[N@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083168487 342377595 /nfs/dbraw/zinc/37/75/95/342377595.db2.gz RMRMJTMCTQTOLF-UHFFFAOYSA-N 1 0 265.269 1.550 20 5 CDBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])CC1(CO)COC1 ZINC000089103121 342387583 /nfs/dbraw/zinc/38/75/83/342387583.db2.gz YCFFRHINMNATHB-UHFFFAOYSA-N 1 0 266.297 1.036 20 5 CDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000588977170 342446589 /nfs/dbraw/zinc/44/65/89/342446589.db2.gz GXKKUZKKAFQAKT-GHMZBOCLSA-N 1 0 277.324 1.853 20 5 CDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000597696516 343614260 /nfs/dbraw/zinc/61/42/60/343614260.db2.gz BXWNQAKQWZWYIF-RNCFNFMXSA-N 1 0 295.314 1.899 20 5 CDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1CCOCC1 ZINC000612030382 346983530 /nfs/dbraw/zinc/98/35/30/346983530.db2.gz RHOMUOKDFQVPEA-GFCCVEGCSA-N 1 0 296.323 1.103 20 5 CDBDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598649495 343857639 /nfs/dbraw/zinc/85/76/39/343857639.db2.gz YSOWPZOFNAGUOP-LLVKDONJSA-N 1 0 281.287 1.444 20 5 CDBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000602598017 344503607 /nfs/dbraw/zinc/50/36/07/344503607.db2.gz XYNLWNAXTIDAKB-NKWVEPMBSA-N 1 0 255.299 1.218 20 5 CDBDRO C[NH2+]C[C@@H](C)CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000417979751 529983740 /nfs/dbraw/zinc/98/37/40/529983740.db2.gz JOEMECHECOMLJW-GHMZBOCLSA-N 1 0 294.355 1.811 20 5 CDBDRO C[NH2+]C[C@H](C)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602531363 344456281 /nfs/dbraw/zinc/45/62/81/344456281.db2.gz CTOOVVDNFWVSTA-ZETCQYMHSA-N 1 0 255.249 1.072 20 5 CDBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2nnnn2C2CC2)cc1 ZINC000602560591 344468884 /nfs/dbraw/zinc/46/88/84/344468884.db2.gz NPDPHAUGPPVMRS-UHFFFAOYSA-N 1 0 288.311 1.249 20 5 CDBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602589466 344479341 /nfs/dbraw/zinc/47/93/41/344479341.db2.gz DUMHUVMOKPOBQO-DTORHVGOSA-N 1 0 295.726 1.825 20 5 CDBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000171978939 362455373 /nfs/dbraw/zinc/45/53/73/362455373.db2.gz VTHAHYYMWDMOQV-KCJUWKMLSA-N 1 0 251.286 1.509 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000602810385 344602762 /nfs/dbraw/zinc/60/27/62/344602762.db2.gz LNCMYBMELYWNJD-VIFPVBQESA-N 1 0 278.316 1.184 20 5 CDBDRO Cc1c(NC(=O)/C=C/C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000265636201 362482516 /nfs/dbraw/zinc/48/25/16/362482516.db2.gz OLUGHRGOCRCUAO-VMPITWQZSA-N 1 0 263.297 1.960 20 5 CDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCS[C@H](C)CC1 ZINC000602818300 344608315 /nfs/dbraw/zinc/60/83/15/344608315.db2.gz CZNXXBOSVTYLDD-SNVBAGLBSA-N 1 0 284.385 1.927 20 5 CDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602837400 344619396 /nfs/dbraw/zinc/61/93/96/344619396.db2.gz WGFUMJNFKMDVBT-MNOVXSKESA-N 1 0 296.327 1.031 20 5 CDBDRO CC[N@H+](CCSC)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602847432 344624648 /nfs/dbraw/zinc/62/46/48/344624648.db2.gz BNEPIQMSRHUVET-UHFFFAOYSA-N 1 0 272.374 1.785 20 5 CDBDRO C[NH2+][C@@H](C)c1cn(CCOc2ccc([N+](=O)[O-])cc2)nn1 ZINC000603200847 344732985 /nfs/dbraw/zinc/73/29/85/344732985.db2.gz JMKNKVLWCDYPDK-JTQLQIEISA-N 1 0 291.311 1.546 20 5 CDBDRO C[C@](C[NH3+])(NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000127276890 187294252 /nfs/dbraw/zinc/29/42/52/187294252.db2.gz DUBOSBFDKDBOBM-BCFOUKGLSA-N 1 0 289.335 1.852 20 5 CDBDRO Cc1cc(C(=O)N[C@@](C)(C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000127288611 187295116 /nfs/dbraw/zinc/29/51/16/187295116.db2.gz MLQTZPAKLHZJKD-AWEZNQCLSA-N 1 0 277.324 1.760 20 5 CDBDRO C[C@@]1(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000230733375 345440998 /nfs/dbraw/zinc/44/09/98/345440998.db2.gz DXFBGGOOZKFWAM-GFCCVEGCSA-N 1 0 283.715 1.730 20 5 CDBDRO Cc1c(C(=O)N2CC[NH2+]CC2(C)C)cccc1[N+](=O)[O-] ZINC000088139153 346014290 /nfs/dbraw/zinc/01/42/90/346014290.db2.gz ZXVTURIVVOHGEA-UHFFFAOYSA-N 1 0 277.324 1.727 20 5 CDBDRO C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000086469249 362711982 /nfs/dbraw/zinc/71/19/82/362711982.db2.gz LXWZMXYRBIAYBA-QWRGUYRKSA-N 1 0 292.339 1.216 20 5 CDBDRO O=[N+]([O-])c1cccc2ncnc(N3C[C@@H]4C[NH2+]C[C@H]4C3)c21 ZINC000612438588 347159028 /nfs/dbraw/zinc/15/90/28/347159028.db2.gz DLXTVEZSPUMTAM-UWVGGRQHSA-N 1 0 285.307 1.194 20 5 CDBDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000067413386 347553697 /nfs/dbraw/zinc/55/36/97/347553697.db2.gz SMWQSTUIJDMPNO-AWEZNQCLSA-N 1 0 291.351 1.943 20 5 CDBDRO C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000086467982 179298915 /nfs/dbraw/zinc/29/89/15/179298915.db2.gz AWLSUBUXYWPUPR-HTQZYQBOSA-N 1 0 269.326 1.479 20 5 CDBDRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273346156 192120958 /nfs/dbraw/zinc/12/09/58/192120958.db2.gz BOYVEXBXKDWZJH-QMMMGPOBSA-N 1 0 282.275 1.560 20 5 CDBDRO C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000280200399 362879640 /nfs/dbraw/zinc/87/96/40/362879640.db2.gz BKHZFDLLGLVOAX-IACUBPJLSA-N 1 0 294.351 1.890 20 5 CDBDRO CC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000029606933 348671941 /nfs/dbraw/zinc/67/19/41/348671941.db2.gz DYDJWWHEEJZXNN-UHFFFAOYSA-N 1 0 283.353 1.870 20 5 CDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[N@@H+]1CCC[C@H](C)C1 ZINC000046954165 348801766 /nfs/dbraw/zinc/80/17/66/348801766.db2.gz WBZLLASSTRUARF-QWRGUYRKSA-N 1 0 294.355 1.773 20 5 CDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344554134 362937085 /nfs/dbraw/zinc/93/70/85/362937085.db2.gz GIQCNBHJWVFLCP-VIFPVBQESA-N 1 0 281.287 1.415 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN(C)[C@H](C)C[NH3+] ZINC000383013951 362937718 /nfs/dbraw/zinc/93/77/18/362937718.db2.gz FUJGONUMKVEXMK-SECBINFHSA-N 1 0 253.302 1.382 20 5 CDBDRO CN1CCO[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000105471994 186058865 /nfs/dbraw/zinc/05/88/65/186058865.db2.gz GILACSWPMDAEFO-ZDUSSCGKSA-N 1 0 265.313 1.015 20 5 CDBDRO C[NH2+]C[C@@H](C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000092133956 180331504 /nfs/dbraw/zinc/33/15/04/180331504.db2.gz WKGZRWKZWNUCDG-ZJUUUORDSA-N 1 0 265.313 1.628 20 5 CDBDRO O=C(NCC[C@H]1CC[NH2+]C1)Nc1cccc([N+](=O)[O-])c1 ZINC000110796622 186325781 /nfs/dbraw/zinc/32/57/81/186325781.db2.gz DXZPAXHLJKLJBU-SNVBAGLBSA-N 1 0 278.312 1.716 20 5 CDBDRO CCCc1n[nH]c(C(=O)N[C@@H](C)CCCC[NH3+])c1[N+](=O)[O-] ZINC000292095424 198161502 /nfs/dbraw/zinc/16/15/02/198161502.db2.gz NVWANBVDKQROCY-VIFPVBQESA-N 1 0 297.359 1.518 20 5 CDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[NH2+]C1 ZINC000135220313 187807931 /nfs/dbraw/zinc/80/79/31/187807931.db2.gz KTHQSLXEIIUSOC-LBPRGKRZSA-N 1 0 277.324 1.253 20 5 CDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCSC1 ZINC000152634383 188034087 /nfs/dbraw/zinc/03/40/87/188034087.db2.gz UWMNQDGHSJYPAL-NSHDSACASA-N 1 0 283.353 1.194 20 5 CDBDRO COC(=O)[C@@H](C)C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153747002 188100570 /nfs/dbraw/zinc/10/05/70/188100570.db2.gz SBQIRPLFEYGWCL-GWCFXTLKSA-N 1 0 296.323 1.369 20 5 CDBDRO Cc1cccc(C(=O)NCC2=CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000271763922 191312074 /nfs/dbraw/zinc/31/20/74/191312074.db2.gz AHYOLTGVWCKVLR-UHFFFAOYSA-N 1 0 289.335 1.895 20 5 CDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[NH2+]C1 ZINC000272986329 192008451 /nfs/dbraw/zinc/00/84/51/192008451.db2.gz DURUFFBEMJIFOM-LLVKDONJSA-N 1 0 292.339 1.123 20 5 CDBDRO C[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000272962992 192000165 /nfs/dbraw/zinc/00/01/65/192000165.db2.gz AEOICZZUNGOFHU-NWDGAFQWSA-N 1 0 280.324 1.676 20 5 CDBDRO C[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273522620 192185263 /nfs/dbraw/zinc/18/52/63/192185263.db2.gz YYXXYWXICGLOOK-UHFFFAOYSA-N 1 0 296.302 1.950 20 5 CDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000286283950 356244054 /nfs/dbraw/zinc/24/40/54/356244054.db2.gz VWIKMHKDSROIQB-SNVBAGLBSA-N 1 0 295.343 1.122 20 5 CDBDRO C[NH+](C)CC(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000308684481 356331228 /nfs/dbraw/zinc/33/12/28/356331228.db2.gz RLJKJPWERCUIDY-UHFFFAOYSA-N 1 0 280.328 1.247 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000219444876 356354505 /nfs/dbraw/zinc/35/45/05/356354505.db2.gz WMOWLPNZUAVUOA-SNVBAGLBSA-N 1 0 278.230 1.916 20 5 CDBDRO Cc1c(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000163536623 356811638 /nfs/dbraw/zinc/81/16/38/356811638.db2.gz WFMASEUOISRMAC-ZYHUDNBSSA-N 1 0 291.351 1.960 20 5 CDBDRO Cc1c(C[N@@H+]2CCC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000048331261 357177349 /nfs/dbraw/zinc/17/73/49/357177349.db2.gz ZEUSYEJJYDGYBS-GFCCVEGCSA-N 1 0 250.298 1.860 20 5 CDBDRO Cc1nn(C)c(-c2nc(C3([NH3+])CCC3)no2)c1[N+](=O)[O-] ZINC000261958629 357346040 /nfs/dbraw/zinc/34/60/40/357346040.db2.gz OWRQAEXPEAHVTB-UHFFFAOYSA-N 1 0 278.272 1.025 20 5 CDBDRO CC(=O)NCCN(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000566185805 357426616 /nfs/dbraw/zinc/42/66/16/357426616.db2.gz SXIGIVYJAYTPMI-UHFFFAOYSA-N 1 0 285.731 1.816 20 5 CDBDRO Cc1cccc(C(=O)NC[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000294078179 198898513 /nfs/dbraw/zinc/89/85/13/198898513.db2.gz HTCQRQPOTJOGGN-SNVBAGLBSA-N 1 0 279.340 1.831 20 5 CDBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)CC2 ZINC000408076059 357813491 /nfs/dbraw/zinc/81/34/91/357813491.db2.gz CIPSCTSFENZZRY-UHFFFAOYSA-N 1 0 293.327 1.018 20 5 CDBDRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000036256862 357817537 /nfs/dbraw/zinc/81/75/37/357817537.db2.gz WBOXHFZXDWUDKH-LBPRGKRZSA-N 1 0 289.335 1.999 20 5 CDBDRO Cc1nn(C)c(N[C@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000290763630 358021753 /nfs/dbraw/zinc/02/17/53/358021753.db2.gz UONYPGBNGFAKJS-SECBINFHSA-N 1 0 269.349 1.777 20 5 CDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[NH+](C)C ZINC000286897675 358024760 /nfs/dbraw/zinc/02/47/60/358024760.db2.gz GTAADSYQLFQSCF-JTQLQIEISA-N 1 0 265.313 1.583 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000127276430 358063123 /nfs/dbraw/zinc/06/31/23/358063123.db2.gz LWSNINUVRUNRDQ-AWEZNQCLSA-N 1 0 277.324 1.760 20 5 CDBDRO O=[N+]([O-])c1ccccc1CN1CCC[C@@](F)(CO)C1 ZINC000287176572 358122627 /nfs/dbraw/zinc/12/26/27/358122627.db2.gz ZXIARCITBZBHJF-ZDUSSCGKSA-N 1 0 268.288 1.891 20 5 CDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@H]2C1 ZINC000192512884 358210909 /nfs/dbraw/zinc/21/09/09/358210909.db2.gz UYQIGUAFSUGDPD-AOOOYVTPSA-N 1 0 293.298 1.368 20 5 CDBDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000193631770 358310378 /nfs/dbraw/zinc/31/03/78/358310378.db2.gz UNOXACGCEUHTSR-GWCFXTLKSA-N 1 0 293.323 1.088 20 5 CDBDRO O=[N+]([O-])c1ccc(OCCN2CCc3c[nH]nc3C2)cc1 ZINC000611008846 358318003 /nfs/dbraw/zinc/31/80/03/358318003.db2.gz MEHYFSHCWHMBAH-UHFFFAOYSA-N 1 0 288.307 1.755 20 5 CDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCCC[C@H]1CCC[NH2+]1 ZINC000294837680 199206977 /nfs/dbraw/zinc/20/69/77/199206977.db2.gz MFVKKMFDOHDMMJ-CYBMUJFWSA-N 1 0 291.351 1.786 20 5 CDBDRO O=[N+]([O-])c1cccnc1N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000294862985 199219582 /nfs/dbraw/zinc/21/95/82/199219582.db2.gz CIWBQFRLXMLMPD-NSHDSACASA-N 1 0 280.328 1.249 20 5 CDBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000361657479 358403354 /nfs/dbraw/zinc/40/33/54/358403354.db2.gz JGZVSNJQXWBKQZ-VXGBXAGGSA-N 1 0 289.335 1.951 20 5 CDBDRO C[NH+](C)CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000132186411 358517193 /nfs/dbraw/zinc/51/71/93/358517193.db2.gz GDLMIZSFYLYFHY-UHFFFAOYSA-N 1 0 278.312 1.453 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H](C)[NH3+])c1 ZINC000422781277 535427468 /nfs/dbraw/zinc/42/74/68/535427468.db2.gz LIUQMZNBJZBCAP-SECBINFHSA-N 1 0 281.312 1.461 20 5 CDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000264858707 358748489 /nfs/dbraw/zinc/74/84/89/358748489.db2.gz DKPYXULVFOLNKL-LLVKDONJSA-N 1 0 292.339 1.217 20 5 CDBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC([NH2+]CCO)CC1 ZINC000290926688 358775875 /nfs/dbraw/zinc/77/58/75/358775875.db2.gz JCLZFDSFBGYBPL-UHFFFAOYSA-N 1 0 279.340 1.454 20 5 CDBDRO CC(C)[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCS1 ZINC000176285484 358785891 /nfs/dbraw/zinc/78/58/91/358785891.db2.gz HSMSSZYOYOOTTQ-LLVKDONJSA-N 1 0 284.385 1.865 20 5 CDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](CO)c1ccccc1 ZINC000267150444 358852015 /nfs/dbraw/zinc/85/20/15/358852015.db2.gz CDXMLASKXRFRCQ-CYBMUJFWSA-N 1 0 290.323 1.457 20 5 CDBDRO COC[C@@H](CO)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000234899203 358923104 /nfs/dbraw/zinc/92/31/04/358923104.db2.gz SSRUQWDVAJTWMG-ZYHUDNBSSA-N 1 0 268.313 1.561 20 5 CDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H](C)OC ZINC000291354572 358945632 /nfs/dbraw/zinc/94/56/32/358945632.db2.gz YFYKBZNTVMJEBG-NSHDSACASA-N 1 0 283.328 1.113 20 5 CDBDRO CC[C@@H](NC(=O)C[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000236901259 359061120 /nfs/dbraw/zinc/06/11/20/359061120.db2.gz UHJNOPHQJIQHLX-LLVKDONJSA-N 1 0 251.286 1.382 20 5 CDBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H](C)CO ZINC000339625589 359420170 /nfs/dbraw/zinc/42/01/70/359420170.db2.gz KPTZKNSITFGIGA-LLVKDONJSA-N 1 0 295.339 1.544 20 5 CDBDRO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@H](C)[NH2+]1 ZINC000153733045 237024425 /nfs/dbraw/zinc/02/44/25/237024425.db2.gz MDFSFLYUHHPYQD-YUMQZZPRSA-N 1 0 296.302 1.139 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000135882998 360138703 /nfs/dbraw/zinc/13/87/03/360138703.db2.gz QARMGCYRKPACSB-WDEREUQCSA-N 1 0 277.324 1.713 20 5 CDBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000548085618 360109368 /nfs/dbraw/zinc/10/93/68/360109368.db2.gz LWPYSODVRNIEKF-SNVBAGLBSA-N 1 0 293.327 1.018 20 5 CDBDRO CS(=O)(=O)c1cccc(N[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000138075597 360118722 /nfs/dbraw/zinc/11/87/22/360118722.db2.gz RGQFNVXQQOBFBT-SECBINFHSA-N 1 0 299.352 1.162 20 5 CDBDRO C[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000135994459 360218056 /nfs/dbraw/zinc/21/80/56/360218056.db2.gz URHRPWKJXJUPHI-ZJUUUORDSA-N 1 0 295.343 1.168 20 5 CDBDRO C[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177088603 189027784 /nfs/dbraw/zinc/02/77/84/189027784.db2.gz ZVICZJFWFCPEDX-PWSUYJOCSA-N 1 0 289.335 1.950 20 5 CDBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298885878 200555972 /nfs/dbraw/zinc/55/59/72/200555972.db2.gz RCAYOSWFQHFGMR-LLVKDONJSA-N 1 0 294.355 1.917 20 5 CDBDRO Cc1nc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)ncc1[N+](=O)[O-] ZINC000297205763 360625755 /nfs/dbraw/zinc/62/57/55/360625755.db2.gz RRYUXWIGJWKVOD-KOLCDFICSA-N 1 0 277.328 1.366 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000147928624 360634546 /nfs/dbraw/zinc/63/45/46/360634546.db2.gz WUQNSTCXEPUMFW-JTQLQIEISA-N 1 0 267.260 1.168 20 5 CDBDRO O=C(CC1CC[NH2+]CC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000178567565 189127685 /nfs/dbraw/zinc/12/76/85/189127685.db2.gz LQCONQGVAYNRBR-UHFFFAOYSA-N 1 0 289.335 1.874 20 5 CDBDRO C[N@@H+]1CC[C@](O)(CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000358330177 360960440 /nfs/dbraw/zinc/96/04/40/360960440.db2.gz NPJFYKANDWTVLV-LBPRGKRZSA-N 1 0 287.266 1.352 20 5 CDBDRO C[C@H]([NH2+]CCCOCCO)c1cccc([N+](=O)[O-])c1 ZINC000180241755 189245645 /nfs/dbraw/zinc/24/56/45/189245645.db2.gz GKSLROWJIOPBHN-NSHDSACASA-N 1 0 268.313 1.644 20 5 CDBDRO C[C@H](CN1CCOCC1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000180489582 189258541 /nfs/dbraw/zinc/25/85/41/189258541.db2.gz JPNHJYHAGXWSIK-CYBMUJFWSA-N 1 0 293.367 1.747 20 5 CDBDRO COc1ccc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000070075882 361238738 /nfs/dbraw/zinc/23/87/38/361238738.db2.gz XFCRFINMFMJWGT-AOOOYVTPSA-N 1 0 293.323 1.426 20 5 CDBDRO C[C@@H]([NH3+])[C@@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000168610173 361323477 /nfs/dbraw/zinc/32/34/77/361323477.db2.gz VGZWTIQAPZKSCW-GHMZBOCLSA-N 1 0 292.339 1.202 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC1(C)CC[NH2+]CC1 ZINC000580434131 363907568 /nfs/dbraw/zinc/90/75/68/363907568.db2.gz YZHLOEOTVPMNJQ-UHFFFAOYSA-N 1 0 293.323 1.475 20 5 CDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000581462912 363993641 /nfs/dbraw/zinc/99/36/41/363993641.db2.gz XAWOPWRBSCTBQK-LLVKDONJSA-N 1 0 294.355 1.347 20 5 CDBDRO C[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000581168596 363968093 /nfs/dbraw/zinc/96/80/93/363968093.db2.gz CUVRCDUJLDIAIA-NXEZZACHSA-N 1 0 295.343 1.168 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H]2CC[NH2+]C2)c1 ZINC000088147754 364259306 /nfs/dbraw/zinc/25/93/06/364259306.db2.gz KOBSBFDFMUXRIF-NSHDSACASA-N 1 0 277.324 1.633 20 5 CDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000088147681 364261531 /nfs/dbraw/zinc/26/15/31/364261531.db2.gz RQIOBSIDOCWIMU-GFCCVEGCSA-N 1 0 291.351 1.975 20 5 CDBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000456525809 364528022 /nfs/dbraw/zinc/52/80/22/364528022.db2.gz ASAPMJMJPAOHFN-NSHDSACASA-N 1 0 294.355 1.490 20 5 CDBDRO C[C@@]1(CO)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000546105060 365209109 /nfs/dbraw/zinc/20/91/09/365209109.db2.gz NWXUVNQCIPTIPY-ZDUSSCGKSA-N 1 0 250.298 1.942 20 5 CDBDRO CC(C)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270480372 366887337 /nfs/dbraw/zinc/88/73/37/366887337.db2.gz FNMWIRMLLLKHHL-ZDUSSCGKSA-N 1 0 279.340 1.877 20 5 CDBDRO COc1cc(NCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000111047068 365389646 /nfs/dbraw/zinc/38/96/46/365389646.db2.gz FWDHIOJUSVTCOH-UHFFFAOYSA-N 1 0 294.355 1.263 20 5 CDBDRO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1O ZINC000270874605 366939794 /nfs/dbraw/zinc/93/97/94/366939794.db2.gz JOYFEEULAXEXEZ-GXFFZTMASA-N 1 0 280.324 1.806 20 5 CDBDRO CC[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000270826088 366934353 /nfs/dbraw/zinc/93/43/53/366934353.db2.gz BXUGDUWGALDCKB-BXUZGUMPSA-N 1 0 280.324 1.676 20 5 CDBDRO CO[C@@H](C[NH3+])CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000232111543 366953173 /nfs/dbraw/zinc/95/31/73/366953173.db2.gz NQQJWSBYKGDEQY-SNVBAGLBSA-N 1 0 267.285 1.206 20 5 CDBDRO COCC[NH2+]CCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000414690349 241326831 /nfs/dbraw/zinc/32/68/31/241326831.db2.gz AIXYFECPZJNNBL-UHFFFAOYSA-N 1 0 296.327 1.261 20 5 CDBDRO Cc1c(NC(=O)N[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000414710111 241345003 /nfs/dbraw/zinc/34/50/03/241345003.db2.gz RLRLKNNUSOQIMU-JTQLQIEISA-N 1 0 278.312 1.777 20 5 CDBDRO C[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000094774215 367017176 /nfs/dbraw/zinc/01/71/76/367017176.db2.gz BOUOCWFCXYWWIO-UHFFFAOYSA-N 1 0 267.304 1.871 20 5 CDBDRO C[C@@H]([NH2+]CCN1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000295989283 370822051 /nfs/dbraw/zinc/82/20/51/370822051.db2.gz PJKHVAULMBLDOC-GFCCVEGCSA-N 1 0 293.367 1.702 20 5 CDBDRO C[NH2+]C[C@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000415492506 241703487 /nfs/dbraw/zinc/70/34/87/241703487.db2.gz CFAIQXCOKZMTMJ-VIFPVBQESA-N 1 0 296.327 1.580 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000272231155 367566077 /nfs/dbraw/zinc/56/60/77/367566077.db2.gz JUQLIQVDWCYXIH-MNOVXSKESA-N 1 0 292.339 1.202 20 5 CDBDRO C[C@@H](NC(=O)N(C)C1CC([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417127286 242329773 /nfs/dbraw/zinc/32/97/73/242329773.db2.gz FRSFJVRGUJGHIS-CBZQXFMTSA-N 1 0 292.339 1.787 20 5 CDBDRO Cc1cc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000272303240 367676826 /nfs/dbraw/zinc/67/68/26/367676826.db2.gz QVXPVGSIVGQQFB-NXEZZACHSA-N 1 0 292.339 1.295 20 5 CDBDRO C[NH+](C)CCO[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000352054067 367680772 /nfs/dbraw/zinc/68/07/72/367680772.db2.gz YVLJYMKPWKHZIR-GFCCVEGCSA-N 1 0 279.340 1.752 20 5 CDBDRO CCOc1ccc([N+](=O)[O-])cc1CNCCC[NH2+]C ZINC000414861730 367834061 /nfs/dbraw/zinc/83/40/61/367834061.db2.gz TUSCGKPLSYTBTM-UHFFFAOYSA-N 1 0 267.329 1.693 20 5 CDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000089106546 368972696 /nfs/dbraw/zinc/97/26/96/368972696.db2.gz GISHZBCHPNSIHG-RNCFNFMXSA-N 1 0 295.314 1.981 20 5 CDBDRO CCCC[C@H](C[NH3+])Nc1ncc([N+](=O)[O-])c(C)n1 ZINC000420198417 243922700 /nfs/dbraw/zinc/92/27/00/243922700.db2.gz CKUWLNGBUHUDQJ-SECBINFHSA-N 1 0 253.306 1.623 20 5 CDBDRO [NH3+][C@@H]1CCC[C@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000420272875 244007634 /nfs/dbraw/zinc/00/76/34/244007634.db2.gz DPVKDEOIUGSLHO-VHSXEESVSA-N 1 0 250.302 1.919 20 5 CDBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])o1 ZINC000232234721 284173221 /nfs/dbraw/zinc/17/32/21/284173221.db2.gz AQHIDKOGWFBTRE-QMMMGPOBSA-N 1 0 253.258 1.060 20 5 CDBDRO CC[C@@H]([NH3+])CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000295216452 369674691 /nfs/dbraw/zinc/67/46/91/369674691.db2.gz MEKBIQUCABSWFM-NXEZZACHSA-N 1 0 297.380 1.929 20 5 CDBDRO Cc1nc(NCCC2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000295567000 370490411 /nfs/dbraw/zinc/49/04/11/370490411.db2.gz QVYOWUBBAJDZAM-UHFFFAOYSA-N 1 0 279.344 1.837 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422719425 245175414 /nfs/dbraw/zinc/17/54/14/245175414.db2.gz RDDGMNLUCILLRW-ZWNOBZJWSA-N 1 0 279.340 1.820 20 5 CDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000422803445 245275738 /nfs/dbraw/zinc/27/57/38/245275738.db2.gz FZASBSHMOKSJDI-LBPRGKRZSA-N 1 0 291.351 1.941 20 5 CDBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000332009047 204386726 /nfs/dbraw/zinc/38/67/26/204386726.db2.gz REMGHCYJIAFOQM-UWVGGRQHSA-N 1 0 293.327 1.017 20 5 CDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000266336029 372540013 /nfs/dbraw/zinc/54/00/13/372540013.db2.gz ZKYNYOIQZMXHAH-NSHDSACASA-N 1 0 294.355 1.727 20 5 CDBDRO CC[N@H+](C)CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000340307882 284332552 /nfs/dbraw/zinc/33/25/52/284332552.db2.gz QTUNZGRTMUSYNF-UHFFFAOYSA-N 1 0 293.367 1.940 20 5 CDBDRO C[C@H](Cn1cccn1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269642935 373295561 /nfs/dbraw/zinc/29/55/61/373295561.db2.gz CPSMXCGFMGRANY-RISCZKNCSA-N 1 0 290.323 1.503 20 5 CDBDRO C[C@@H](Cn1cccn1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269642936 373300979 /nfs/dbraw/zinc/30/09/79/373300979.db2.gz CPSMXCGFMGRANY-SMDDNHRTSA-N 1 0 290.323 1.503 20 5 CDBDRO CCC[NH2+]CCNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000423465382 245833407 /nfs/dbraw/zinc/83/34/07/245833407.db2.gz ROIOTBJKVDDHGQ-UHFFFAOYSA-N 1 0 281.312 1.333 20 5 CDBDRO COCC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269672298 373652654 /nfs/dbraw/zinc/65/26/54/373652654.db2.gz VEVUUYIEZCDXOY-HNNXBMFYSA-N 1 0 294.351 1.987 20 5 CDBDRO Cc1ccc(NC(=O)C[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000130121911 373755395 /nfs/dbraw/zinc/75/53/95/373755395.db2.gz KBTDGXDCFYGMDR-LLVKDONJSA-N 1 0 279.296 1.220 20 5 CDBDRO C[C@@H](C[S@](C)=O)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000168885420 373798227 /nfs/dbraw/zinc/79/82/27/373798227.db2.gz LOOXFJUXMVSFPD-XTZNXHDOSA-N 1 0 270.354 1.494 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCO[C@@H]2C2CC2)c1 ZINC000368463261 373840902 /nfs/dbraw/zinc/84/09/02/373840902.db2.gz UASVEFYOVLMEKW-RRFJBIMHSA-N 1 0 292.335 1.785 20 5 CDBDRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000113349650 374253127 /nfs/dbraw/zinc/25/31/27/374253127.db2.gz MSNMAYWFUJHCJL-SNVBAGLBSA-N 1 0 286.353 1.508 20 5 CDBDRO C[NH+](C)C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000113513669 374261381 /nfs/dbraw/zinc/26/13/81/374261381.db2.gz PBTBFTKFOUTJGM-CYBMUJFWSA-N 1 0 263.341 1.978 20 5 CDBDRO C[C@H](CC[NH3+])NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417146151 374245327 /nfs/dbraw/zinc/24/53/27/374245327.db2.gz XSVNTAVTPMYZAU-ZJUUUORDSA-N 1 0 280.328 1.692 20 5 CDBDRO COCCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000066865603 374367074 /nfs/dbraw/zinc/36/70/74/374367074.db2.gz HJDGJRMSJKUZJX-LLVKDONJSA-N 1 0 295.339 1.890 20 5 CDBDRO C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423844074 246137014 /nfs/dbraw/zinc/13/70/14/246137014.db2.gz LLFZMGNVDQYTMB-JGVFFNPUSA-N 1 0 285.731 1.848 20 5 CDBDRO CC[N@H+](CCOC)CCOc1ccccc1[N+](=O)[O-] ZINC000299131658 374424190 /nfs/dbraw/zinc/42/41/90/374424190.db2.gz MFTGVHZFGOTINT-UHFFFAOYSA-N 1 0 268.313 1.942 20 5 CDBDRO C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000070176862 374655405 /nfs/dbraw/zinc/65/54/05/374655405.db2.gz KXJBZVIPJJDJPM-ZWNOBZJWSA-N 1 0 277.324 1.794 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000070447129 374662366 /nfs/dbraw/zinc/66/23/66/374662366.db2.gz ZHOHYRWQFIAXGX-JTQLQIEISA-N 1 0 251.286 1.308 20 5 CDBDRO C[NH+](C)CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000124873554 374855050 /nfs/dbraw/zinc/85/50/50/374855050.db2.gz SBEAFDOCTWLZMK-UHFFFAOYSA-N 1 0 280.328 1.075 20 5 CDBDRO COC[C@H](CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000279630133 374937733 /nfs/dbraw/zinc/93/77/33/374937733.db2.gz BSYPEDLJJQZRAO-FUEXJSSKSA-N 1 0 266.297 1.205 20 5 CDBDRO Cn1cncc1CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000331999446 374997048 /nfs/dbraw/zinc/99/70/48/374997048.db2.gz OUHVZCRMJSKQGP-UHFFFAOYSA-N 1 0 273.296 1.282 20 5 CDBDRO CCC(CC)(CCO)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000282396086 375083829 /nfs/dbraw/zinc/08/38/29/375083829.db2.gz HGHXGRUJVHZHLQ-UHFFFAOYSA-N 1 0 270.333 1.322 20 5 CDBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000347271554 375147626 /nfs/dbraw/zinc/14/76/26/375147626.db2.gz LXDVVGPGBTYWHV-VIFPVBQESA-N 1 0 268.317 1.383 20 5 CDBDRO C[N@@H+]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000097213306 375157018 /nfs/dbraw/zinc/15/70/18/375157018.db2.gz AFIFQRILVHLGOX-UHFFFAOYSA-N 1 0 293.323 1.138 20 5 CDBDRO Cc1cc(N2CC[N@H+](CCO)C(C)(C)C2)ncc1[N+](=O)[O-] ZINC000302441542 375202920 /nfs/dbraw/zinc/20/29/20/375202920.db2.gz AKDMLYNSHGITKT-UHFFFAOYSA-N 1 0 294.355 1.191 20 5 CDBDRO CC(C)c1ccc(C[NH2+][C@@H]2COCC[C@H]2O)cc1[N+](=O)[O-] ZINC000601160495 375393404 /nfs/dbraw/zinc/39/34/04/375393404.db2.gz YEZYIWUQUJOTMS-UKRRQHHQSA-N 1 0 294.351 1.958 20 5 CDBDRO C[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000351910453 375340745 /nfs/dbraw/zinc/34/07/45/375340745.db2.gz RZKNMHWGHDSFLD-GWCFXTLKSA-N 1 0 277.324 1.866 20 5 CDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+](C)C ZINC000049375988 375435601 /nfs/dbraw/zinc/43/56/01/375435601.db2.gz VFKFXZJFAQCGCO-UHFFFAOYSA-N 1 0 279.340 1.973 20 5 CDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000132289236 375440834 /nfs/dbraw/zinc/44/08/34/375440834.db2.gz UCWRDNLJKJJBNQ-ZJUUUORDSA-N 1 0 278.312 1.796 20 5 CDBDRO Cc1nc(NCC[NH+]2CCSCC2)ccc1[N+](=O)[O-] ZINC000230184623 375532341 /nfs/dbraw/zinc/53/23/41/375532341.db2.gz XVAMESGDMNBHRI-UHFFFAOYSA-N 1 0 282.369 1.759 20 5 CDBDRO [NH3+]C[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000132596897 375535164 /nfs/dbraw/zinc/53/51/64/375535164.db2.gz QAXZHMJYTCCREK-MRVPVSSYSA-N 1 0 283.715 1.669 20 5 CDBDRO COc1ccc(CN2CCC[C@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000347336112 375558595 /nfs/dbraw/zinc/55/85/95/375558595.db2.gz KKMQAHZXGIXRCD-CQSZACIVSA-N 1 0 298.314 1.900 20 5 CDBDRO C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000305230542 375576472 /nfs/dbraw/zinc/57/64/72/375576472.db2.gz RNCBSGLQYLOCIF-DYEKYZERSA-N 1 0 296.371 1.520 20 5 CDBDRO CC[NH+]1CCC(NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000132718006 375577816 /nfs/dbraw/zinc/57/78/16/375577816.db2.gz OTVOIPHDAQWQSR-UHFFFAOYSA-N 1 0 295.314 1.948 20 5 CDBDRO CN(CC(C)(C)C[NH3+])C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132833342 375607099 /nfs/dbraw/zinc/60/70/99/375607099.db2.gz FZOCZXMOJIKYGD-UHFFFAOYSA-N 1 0 283.303 1.791 20 5 CDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357076614 375705105 /nfs/dbraw/zinc/70/51/05/375705105.db2.gz KDGBIVXCZPPUON-WDEREUQCSA-N 1 0 279.315 1.775 20 5 CDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)CC(N)=O ZINC000345043084 375731323 /nfs/dbraw/zinc/73/13/23/375731323.db2.gz DSVWZGWNBMXPHA-CDCCAWJDSA-N 1 0 277.324 1.852 20 5 CDBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000358040073 375948427 /nfs/dbraw/zinc/94/84/27/375948427.db2.gz BNECENHJVSOYRZ-CORIIIEPSA-N 1 0 294.351 1.951 20 5 CDBDRO C[NH+](C)[C@@]1(CNc2ccc([N+](=O)[O-])cn2)CCSC1 ZINC000267055011 376618996 /nfs/dbraw/zinc/61/89/96/376618996.db2.gz FUKYYMHDIIOTHE-GFCCVEGCSA-N 1 0 282.369 1.839 20 5 CDBDRO CCC1(O)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000267087127 377061959 /nfs/dbraw/zinc/06/19/59/377061959.db2.gz OTRAPLYQYPLBJE-UHFFFAOYSA-N 1 0 268.317 1.028 20 5 CDBDRO C[C@H]1[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000345166588 377404231 /nfs/dbraw/zinc/40/42/31/377404231.db2.gz SQUNEEYHRCNZNN-VHSXEESVSA-N 1 0 293.327 1.016 20 5 CDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H]1C ZINC000354434891 377694740 /nfs/dbraw/zinc/69/47/40/377694740.db2.gz QKMWTSCITNUTPP-WDEREUQCSA-N 1 0 294.355 1.868 20 5 CDBDRO C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1cccc([N+](=O)[O-])c1 ZINC000094567446 377846990 /nfs/dbraw/zinc/84/69/90/377846990.db2.gz XSRHOAYKXAXCKF-WQAKAFBOSA-N 1 0 293.323 1.278 20 5 CDBDRO CCOC1CC(O)(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000444016770 250073776 /nfs/dbraw/zinc/07/37/76/250073776.db2.gz NCDGIYFATAQOTN-UHFFFAOYSA-N 1 0 294.351 1.923 20 5 CDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000174830394 379587312 /nfs/dbraw/zinc/58/73/12/379587312.db2.gz VCBQHMBUZBEVIF-NSHDSACASA-N 1 0 290.327 1.394 20 5 CDBDRO COC[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000174726950 379558657 /nfs/dbraw/zinc/55/86/57/379558657.db2.gz QYGJGIBPYSBWKV-GFCCVEGCSA-N 1 0 279.340 1.752 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCn1cncn1 ZINC000449097870 250687060 /nfs/dbraw/zinc/68/70/60/250687060.db2.gz GGETWOQYGWGSSB-NSHDSACASA-N 1 0 275.312 1.407 20 5 CDBDRO Cc1nc(NC[C@H](C2CC2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000450311690 251218506 /nfs/dbraw/zinc/21/85/06/251218506.db2.gz JAMBEETXBWVEGA-LLVKDONJSA-N 1 0 265.317 1.445 20 5 CDBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CO)COC)cc1[N+](=O)[O-] ZINC000280867558 195007975 /nfs/dbraw/zinc/00/79/75/195007975.db2.gz CQUJWJRVSRCENO-JQWIXIFHSA-N 1 0 298.339 1.651 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCN2CCSCC2)cc1 ZINC000226248049 285114376 /nfs/dbraw/zinc/11/43/76/285114376.db2.gz RNGHTYSXLZIDAY-UHFFFAOYSA-N 1 0 281.381 1.733 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC[C@H]2O)cc1 ZINC000037691593 285115719 /nfs/dbraw/zinc/11/57/19/285115719.db2.gz MDSTXVZXGKBJLO-QWHCGFSZSA-N 1 0 250.298 1.988 20 5 CDBDRO C[NH+](C)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c1 ZINC000505338102 254086126 /nfs/dbraw/zinc/08/61/26/254086126.db2.gz NEUJGWMIQJABSR-UHFFFAOYSA-N 1 0 289.295 1.632 20 5 CDBDRO O=[N+]([O-])c1cnc(N2CCC([NH+]3CCCCC3)CC2)nc1 ZINC000273649221 285172315 /nfs/dbraw/zinc/17/23/15/285172315.db2.gz UDIXOQSBNJFFSZ-UHFFFAOYSA-N 1 0 291.355 1.840 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[NH2+]CC[C@H]3C2)n1 ZINC000261587534 390496588 /nfs/dbraw/zinc/49/65/88/390496588.db2.gz JNWDZFCMVIDQBJ-WDEREUQCSA-N 1 0 262.313 1.486 20 5 CDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000127444315 390530279 /nfs/dbraw/zinc/53/02/79/390530279.db2.gz ORTPBSKAXGHWNE-CYBMUJFWSA-N 1 0 283.303 1.837 20 5 CDBDRO Cc1cccc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000450793316 390552550 /nfs/dbraw/zinc/55/25/50/390552550.db2.gz LGOGCXOATDGVGQ-BETUJISGSA-N 1 0 293.367 1.795 20 5 CDBDRO CC(C)O[C@H]1C[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000451492041 390627226 /nfs/dbraw/zinc/62/72/26/390627226.db2.gz FLCJOZMLWRAQMQ-NEPJUHHUSA-N 1 0 296.371 1.973 20 5 CDBDRO C[NH2+]C[C@H]1CCCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000127701407 390682207 /nfs/dbraw/zinc/68/22/07/390682207.db2.gz DNBRQJKCBPRXIE-HSBSLETESA-N 1 0 289.335 1.818 20 5 CDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000286916742 390815218 /nfs/dbraw/zinc/81/52/18/390815218.db2.gz HYWAMKGCAOAYAW-QMMMGPOBSA-N 1 0 269.276 1.414 20 5 CDBDRO C[C@H]1CC[N@H+](C)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000354092475 391057728 /nfs/dbraw/zinc/05/77/28/391057728.db2.gz OCPQBWOVEPJAGG-VIFPVBQESA-N 1 0 295.368 1.834 20 5 CDBDRO Cc1cc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000408068506 391238997 /nfs/dbraw/zinc/23/89/97/391238997.db2.gz VPXNXCQLXICPAZ-WDEREUQCSA-N 1 0 264.329 1.827 20 5 CDBDRO Cc1cc([N+](=O)[O-])cnc1NCC[C@H]1CCC[N@@H+](C)C1 ZINC000413432001 391214218 /nfs/dbraw/zinc/21/42/18/391214218.db2.gz BQUHKWLTTOLRBB-GFCCVEGCSA-N 1 0 278.356 1.864 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000368159695 391272926 /nfs/dbraw/zinc/27/29/26/391272926.db2.gz XBJJBSCJRVDYSM-CYBMUJFWSA-N 1 0 289.335 1.775 20 5 CDBDRO Cc1cc(NC(=O)N(C)[C@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000415421368 391407182 /nfs/dbraw/zinc/40/71/82/391407182.db2.gz UULLRRWOJBJODA-SECBINFHSA-N 1 0 266.301 1.714 20 5 CDBDRO CC(C)(O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568107615 391585344 /nfs/dbraw/zinc/58/53/44/391585344.db2.gz SRYBDBWYPIMPGU-LLVKDONJSA-N 1 0 250.298 1.943 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@@H](O)C[NH+]2CCCCC2)s1 ZINC000190316371 130089249 /nfs/dbraw/zinc/08/92/49/130089249.db2.gz ZZMAGUPVHTVQMR-SECBINFHSA-N 1 0 286.357 1.310 20 5 CDBDRO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCS1 ZINC000192169994 130386736 /nfs/dbraw/zinc/38/67/36/130386736.db2.gz UBCXOFDBXIBBHO-NSHDSACASA-N 1 0 297.380 1.584 20 5 CDBDRO C[C@@H](C1CCC1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000357038382 391935729 /nfs/dbraw/zinc/93/57/29/391935729.db2.gz NDPFKKTVKJYOEG-NSHDSACASA-N 1 0 279.340 1.877 20 5 CDBDRO C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000267069858 391926087 /nfs/dbraw/zinc/92/60/87/391926087.db2.gz KPQDLXFTDFZRSG-QWRGUYRKSA-N 1 0 252.318 1.912 20 5 CDBDRO O=[N+]([O-])c1cccc(C[N@@H+](CCO)C2CCOCC2)c1 ZINC000438348964 392007299 /nfs/dbraw/zinc/00/72/99/392007299.db2.gz ZTFXHBVKHFBTRL-UHFFFAOYSA-N 1 0 280.324 1.568 20 5 CDBDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000235439957 130949688 /nfs/dbraw/zinc/94/96/88/130949688.db2.gz AMABNEPWOBLJBC-ZYHUDNBSSA-N 1 0 277.324 1.774 20 5 CDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000237356102 131025136 /nfs/dbraw/zinc/02/51/36/131025136.db2.gz QCHUXIFCKZLPLX-NXEZZACHSA-N 1 0 295.364 1.635 20 5 CDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261593276 131155026 /nfs/dbraw/zinc/15/50/26/131155026.db2.gz MWLOHVOZAXXTQH-RKDXNWHRSA-N 1 0 281.337 1.480 20 5 CDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000262055149 131187514 /nfs/dbraw/zinc/18/75/14/131187514.db2.gz HWEAJPZFLCTWPX-PELKAZGASA-N 1 0 278.312 1.034 20 5 CDBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000262802606 131263134 /nfs/dbraw/zinc/26/31/34/131263134.db2.gz FEKBVBDGZLQBPV-WPRPVWTQSA-N 1 0 278.312 1.047 20 5 CDBDRO CC(C)[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000444755037 392653587 /nfs/dbraw/zinc/65/35/87/392653587.db2.gz WJAMFSODTBSXTF-OCCSQVGLSA-N 1 0 296.371 1.520 20 5 CDBDRO COC(=O)c1cnc(NCC2([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000419012679 392885459 /nfs/dbraw/zinc/88/54/59/392885459.db2.gz WZGPPJKWOYKAAH-UHFFFAOYSA-N 1 0 294.311 1.283 20 5 CDBDRO CC[C@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)OC ZINC000419305932 392888828 /nfs/dbraw/zinc/88/88/28/392888828.db2.gz LYFVKXXXTASJJW-GFCCVEGCSA-N 1 0 282.344 1.853 20 5 CDBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420252972 392915218 /nfs/dbraw/zinc/91/52/18/392915218.db2.gz CPYDLNDDAOYFNC-VXGBXAGGSA-N 1 0 289.335 1.843 20 5 CDBDRO Cc1ccc([C@H](C)NC(=O)N[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417843934 392874449 /nfs/dbraw/zinc/87/44/49/392874449.db2.gz HDJMQLNAAFMFDC-JQWIXIFHSA-N 1 0 292.339 1.625 20 5 CDBDRO Cc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000522927607 392882383 /nfs/dbraw/zinc/88/23/83/392882383.db2.gz LZMWBOMEFQUZJC-SNVBAGLBSA-N 1 0 295.343 1.086 20 5 CDBDRO CC(=O)N[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000420993523 392923883 /nfs/dbraw/zinc/92/38/83/392923883.db2.gz ZGYGCLTULIVXAT-LBPRGKRZSA-N 1 0 293.323 1.184 20 5 CDBDRO C[C@H]([NH2+]CC1(CC(N)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000421196379 392929231 /nfs/dbraw/zinc/92/92/31/392929231.db2.gz FPIAVNYDLPSXQH-JTQLQIEISA-N 1 0 277.324 1.901 20 5 CDBDRO NC(=O)CC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000421352590 392931062 /nfs/dbraw/zinc/93/10/62/392931062.db2.gz QYXHLGWOSQTHGQ-UHFFFAOYSA-N 1 0 297.742 1.993 20 5 CDBDRO CCCN1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000421354764 392933539 /nfs/dbraw/zinc/93/35/39/392933539.db2.gz SQIWHKCVZCCSII-LBPRGKRZSA-N 1 0 291.351 1.943 20 5 CDBDRO C[NH2+][C@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000269122550 132115660 /nfs/dbraw/zinc/11/56/60/132115660.db2.gz KOHOPHRTOJSNDX-JTQLQIEISA-N 1 0 295.364 1.507 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000269269264 132147300 /nfs/dbraw/zinc/14/73/00/132147300.db2.gz LURNZRHTXRIQRV-ZDUSSCGKSA-N 1 0 293.367 1.972 20 5 CDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000423708279 392967099 /nfs/dbraw/zinc/96/70/99/392967099.db2.gz USFCXTIBVMTQQZ-SNVBAGLBSA-N 1 0 292.339 1.439 20 5 CDBDRO Cc1n[nH]c(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000424084235 392968217 /nfs/dbraw/zinc/96/82/17/392968217.db2.gz YPPYBUKFTDOABF-WEDXCCLWSA-N 1 0 295.343 1.072 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000430199669 393090407 /nfs/dbraw/zinc/09/04/07/393090407.db2.gz DDLUOEUAJGZLOY-ZLKJLUDKSA-N 1 0 292.335 1.806 20 5 CDBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000430255442 393095439 /nfs/dbraw/zinc/09/54/39/393095439.db2.gz FGOWKRUXIUEWCM-HNNXBMFYSA-N 1 0 291.351 1.861 20 5 CDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000068338411 393044767 /nfs/dbraw/zinc/04/47/67/393044767.db2.gz WDEXWQFXPKMWKF-LBPRGKRZSA-N 1 0 293.367 1.984 20 5 CDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000532080416 393066090 /nfs/dbraw/zinc/06/60/90/393066090.db2.gz WRBGGPFLCBLPQM-SKDRFNHKSA-N 1 0 292.339 1.146 20 5 CDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN(C)C ZINC000449268462 393130986 /nfs/dbraw/zinc/13/09/86/393130986.db2.gz HBSGVUOLKNCHKK-NSHDSACASA-N 1 0 251.330 1.677 20 5 CDBDRO Cc1ccc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000449654691 393137572 /nfs/dbraw/zinc/13/75/72/393137572.db2.gz FINUKLGKUPVBOE-LLVKDONJSA-N 1 0 299.277 1.630 20 5 CDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000449709908 393139832 /nfs/dbraw/zinc/13/98/32/393139832.db2.gz KUQCGVLNRYKNPK-WDEREUQCSA-N 1 0 293.323 1.217 20 5 CDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)CCCC[NH3+] ZINC000494655989 393235867 /nfs/dbraw/zinc/23/58/67/393235867.db2.gz SOJVBEVXQIQWLG-SNVBAGLBSA-N 1 0 297.359 1.124 20 5 CDBDRO CCOc1ccc(C(=O)NC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000137319307 139897380 /nfs/dbraw/zinc/89/73/80/139897380.db2.gz OBUMJVVSIRGWJI-NSHDSACASA-N 1 0 293.323 1.461 20 5 CDBDRO O=[N+]([O-])c1cnc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000226774520 140180932 /nfs/dbraw/zinc/18/09/32/140180932.db2.gz CLCMCCQDIYMERV-BDAKNGLRSA-N 1 0 284.341 1.326 20 5 CDBDRO COc1ccc(C[NH2+][C@H](C)C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000229010687 140199331 /nfs/dbraw/zinc/19/93/31/140199331.db2.gz YBQAXEYHBZGEED-SNVBAGLBSA-N 1 0 295.339 1.606 20 5 CDBDRO COc1ccc(C(=O)NCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000230066215 140206501 /nfs/dbraw/zinc/20/65/01/140206501.db2.gz CRBFINHJHMNSPI-UHFFFAOYSA-N 1 0 279.296 1.215 20 5 CDBDRO Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000235356957 140234231 /nfs/dbraw/zinc/23/42/31/140234231.db2.gz GIUTXVGZFMQIBM-BXKDBHETSA-N 1 0 263.297 1.322 20 5 CDBDRO CC(C)(C[NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000236610098 140241036 /nfs/dbraw/zinc/24/10/36/140241036.db2.gz UQSDNFOFSIWVRK-UHFFFAOYSA-N 1 0 265.313 1.238 20 5 CDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)nc1 ZINC000252667018 140322390 /nfs/dbraw/zinc/32/23/90/140322390.db2.gz FNFYPADALJCYQX-NWDGAFQWSA-N 1 0 278.312 1.265 20 5 CDBDRO C[C@H]1[C@H]([NH3+])CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000261573829 140352358 /nfs/dbraw/zinc/35/23/58/140352358.db2.gz MMAHBDKNXQJGMJ-QPUJVOFHSA-N 1 0 253.277 1.655 20 5 CDBDRO C[NH2+][C@@H](C)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261590364 140358182 /nfs/dbraw/zinc/35/81/82/140358182.db2.gz WYFWGDZWMXKCGX-QMMMGPOBSA-N 1 0 252.274 1.324 20 5 CDBDRO Cc1ccnc(N2CC[C@@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000127249109 147547103 /nfs/dbraw/zinc/54/71/03/147547103.db2.gz JPZKVQZMLZYVJN-NXEZZACHSA-N 1 0 250.302 1.472 20 5 CDBDRO Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc([N+](=O)[O-])c1 ZINC000135220022 397910080 /nfs/dbraw/zinc/91/00/80/397910080.db2.gz PBKZYSVBJQKXSV-FUNVUKJBSA-N 1 0 289.335 1.916 20 5 CDBDRO [NH3+]C1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000091843241 146994222 /nfs/dbraw/zinc/99/42/22/146994222.db2.gz CAWCMOCFRBOFNX-UHFFFAOYSA-N 1 0 277.324 1.523 20 5 CDBDRO Cc1cc(N2C[C@@H](C[NH3+])C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000135408205 147678164 /nfs/dbraw/zinc/67/81/64/147678164.db2.gz JBJBNLDHSYGMFA-VHSXEESVSA-N 1 0 250.302 1.472 20 5 CDBDRO CC[NH2+][C@H](C)CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000262477960 149068486 /nfs/dbraw/zinc/06/84/86/149068486.db2.gz QPLLLPIOESLYCM-SNVBAGLBSA-N 1 0 265.313 1.252 20 5 CDBDRO COCC[C@@H](CO)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000312171629 149228223 /nfs/dbraw/zinc/22/82/23/149228223.db2.gz VLKIKRIGZFUMMF-YPMHNXCESA-N 1 0 282.340 1.951 20 5 CDBDRO COc1ccc(C[NH2+]C[C@](C)(O)C2CC2)cc1[N+](=O)[O-] ZINC000312965544 149241422 /nfs/dbraw/zinc/24/14/22/149241422.db2.gz JXFRVYJCXXCOHW-AWEZNQCLSA-N 1 0 280.324 1.854 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH+](C)C ZINC000346432658 153184634 /nfs/dbraw/zinc/18/46/34/153184634.db2.gz GXJCTKPQVMVYAJ-UHFFFAOYSA-N 1 0 295.339 1.675 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1 ZINC000450794387 292289230 /nfs/dbraw/zinc/28/92/30/292289230.db2.gz MZCVHZITOIOJQH-BETUJISGSA-N 1 0 293.367 1.795 20 5 CDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCN2CCCOCC2)c(F)c1 ZINC000349351561 154096133 /nfs/dbraw/zinc/09/61/33/154096133.db2.gz QMTKJJFLULMNTP-UHFFFAOYSA-N 1 0 297.330 1.546 20 5 CDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)n1 ZINC000375349785 160371540 /nfs/dbraw/zinc/37/15/40/160371540.db2.gz PNLUCERHWHNKMZ-RYUDHWBXSA-N 1 0 280.328 1.435 20 5 CDBDRO O=C1C[C@@]2(CN1)CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000353750719 156059681 /nfs/dbraw/zinc/05/96/81/156059681.db2.gz YOUTVMGSAKIYIH-OAHLLOKOSA-N 1 0 289.335 1.697 20 5 CDBDRO CC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000354019833 156228190 /nfs/dbraw/zinc/22/81/90/156228190.db2.gz KURZTGNZNGLESU-UHFFFAOYSA-N 1 0 265.313 1.585 20 5 CDBDRO CC[N@H+](CCNC(=O)Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000359291548 158201338 /nfs/dbraw/zinc/20/13/38/158201338.db2.gz DWIVLKROSHXOMY-UHFFFAOYSA-N 1 0 293.367 1.984 20 5 CDBDRO CC[NH+](CC)CCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000005591576 170117007 /nfs/dbraw/zinc/11/70/07/170117007.db2.gz ZZWXWCOLDDSESE-UHFFFAOYSA-N 1 0 293.367 1.985 20 5 CDBDRO CN(CC[NH+]1CCCC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000013758067 170589661 /nfs/dbraw/zinc/58/96/61/170589661.db2.gz HDONRULVHLWTNY-UHFFFAOYSA-N 1 0 291.351 1.692 20 5 CDBDRO C[NH2+]CCCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000035697343 172365305 /nfs/dbraw/zinc/36/53/05/172365305.db2.gz MVNYPJDTRHLSQU-UHFFFAOYSA-N 1 0 262.269 1.797 20 5 CDBDRO C[C@H]([NH2+]CC(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000037225224 173045569 /nfs/dbraw/zinc/04/55/69/173045569.db2.gz YBYZLIHTQODIAI-VIFPVBQESA-N 1 0 251.286 1.334 20 5 CDBDRO CO[C@@H](C)C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285704345 196372798 /nfs/dbraw/zinc/37/27/98/196372798.db2.gz ONGLHRQNXURQHK-GXFFZTMASA-N 1 0 268.313 1.595 20 5 CDBDRO CSCC[C@H]([NH3+])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000040464243 174273352 /nfs/dbraw/zinc/27/33/52/174273352.db2.gz WRCIPZFWNQRAGJ-SKDRFNHKSA-N 1 0 297.380 1.852 20 5 CDBDRO Cc1nn(C)c(NC[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000040623902 174355993 /nfs/dbraw/zinc/35/59/93/174355993.db2.gz FJGPSHUNLJUMQN-NSHDSACASA-N 1 0 281.360 1.779 20 5 CDBDRO CCC[C@@H]([NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676272 174373989 /nfs/dbraw/zinc/37/39/89/174373989.db2.gz VLWQICUBSFMERT-GFCCVEGCSA-N 1 0 265.313 1.381 20 5 CDBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000044528247 175193375 /nfs/dbraw/zinc/19/33/75/175193375.db2.gz JYIHYGGMWGVVKG-JTQLQIEISA-N 1 0 263.297 1.406 20 5 CDBDRO Cc1cc(C(=O)N[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000071397079 176150747 /nfs/dbraw/zinc/15/07/47/176150747.db2.gz NFOACRCZXVPFGY-NSHDSACASA-N 1 0 263.297 1.385 20 5 CDBDRO CN(C(=O)NCCc1cccc([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000417932340 227221573 /nfs/dbraw/zinc/22/15/73/227221573.db2.gz CWEKCNYLZBHQEN-UHFFFAOYSA-N 1 0 292.339 1.268 20 5 CDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000525726820 262019420 /nfs/dbraw/zinc/01/94/20/262019420.db2.gz IKKWNHNZUSXZMJ-LLVKDONJSA-N 1 0 294.355 1.490 20 5 CDBDRO Cc1ccc(S(=O)(=O)N(C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000395019226 270339949 /nfs/dbraw/zinc/33/99/49/270339949.db2.gz PEXXKKVWPAIVNH-UHFFFAOYSA-N 1 0 299.352 1.013 20 5 CDBDRO Cc1c(C(=O)NC(C)(C)CC[NH3+])cccc1[N+](=O)[O-] ZINC000397159179 270346895 /nfs/dbraw/zinc/34/68/95/270346895.db2.gz APRGRBDAGCZAKJ-UHFFFAOYSA-N 1 0 265.313 1.760 20 5 CDBDRO CC(C)[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000399720873 270375012 /nfs/dbraw/zinc/37/50/12/270375012.db2.gz IGIRESGAZWVZOA-GWCFXTLKSA-N 1 0 279.340 1.830 20 5 CDBDRO CC(C)c1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000422714270 270380863 /nfs/dbraw/zinc/38/08/63/270380863.db2.gz QSJQWJIZABGGCW-LLVKDONJSA-N 1 0 277.324 1.891 20 5 CDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000307900036 273591792 /nfs/dbraw/zinc/59/17/92/273591792.db2.gz RKLCBEANGITEBS-MRVPVSSYSA-N 1 0 253.258 1.058 20 5 CDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000235386813 274385438 /nfs/dbraw/zinc/38/54/38/274385438.db2.gz LHEBVVCPWNXODC-SFYZADRCSA-N 1 0 270.720 1.817 20 5 CDBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000086482114 275041353 /nfs/dbraw/zinc/04/13/53/275041353.db2.gz IVPAXXGRMLHNET-LURJTMIESA-N 1 0 287.117 1.526 20 5 CDBDRO C[NH+](C)[C@@H]1CCCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000283857316 276831890 /nfs/dbraw/zinc/83/18/90/276831890.db2.gz UHPQTBONVLGSNM-LLVKDONJSA-N 1 0 264.329 1.707 20 5 CDBDRO C[NH2+]CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000054244205 277272406 /nfs/dbraw/zinc/27/24/06/277272406.db2.gz IHFDLBOGKPBOLG-UHFFFAOYSA-N 1 0 257.677 1.197 20 5 CDBDRO C[NH2+]C[C@@H]1CCCN(c2nc(C)ccc2[N+](=O)[O-])C1 ZINC000162854016 277275943 /nfs/dbraw/zinc/27/59/43/277275943.db2.gz FZPTZWAEBFQNCD-NSHDSACASA-N 1 0 264.329 1.734 20 5 CDBDRO C[NH2+]C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000124118868 277280036 /nfs/dbraw/zinc/28/00/36/277280036.db2.gz XMOQWUBJKZDMGA-JTQLQIEISA-N 1 0 250.302 1.344 20 5 CDBDRO C[NH2+]C[C@H](C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000092136603 277281125 /nfs/dbraw/zinc/28/11/25/277281125.db2.gz ZHSNISBBBZZAHL-VIFPVBQESA-N 1 0 251.286 1.067 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000272312642 277430877 /nfs/dbraw/zinc/43/08/77/277430877.db2.gz SBNALNQRDAPMIN-VHSXEESVSA-N 1 0 293.323 1.413 20 5 CDBDRO C[C@@H](CO)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447580320 278290545 /nfs/dbraw/zinc/29/05/45/278290545.db2.gz NUYTVSIOYCPITI-GARJFASQSA-N 1 0 268.317 1.245 20 5 CDBDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285455918 279024588 /nfs/dbraw/zinc/02/45/88/279024588.db2.gz ZRNWZFFPZRYDIV-NXEZZACHSA-N 1 0 294.355 1.694 20 5 CDBDRO Cc1nc(N2CCCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000124099524 279089950 /nfs/dbraw/zinc/08/99/50/279089950.db2.gz JWWRMMDYZOWSPK-SNVBAGLBSA-N 1 0 250.302 1.616 20 5 CDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000449304682 279382449 /nfs/dbraw/zinc/38/24/49/279382449.db2.gz PGROOFRSOMLKQM-NTZNESFSSA-N 1 0 291.351 1.783 20 5 CDBDRO Nc1c(C(=O)N2CCCC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000237847922 279634978 /nfs/dbraw/zinc/63/49/78/279634978.db2.gz JFZCFSYRNBMESN-VIFPVBQESA-N 1 0 278.312 1.130 20 5 CDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000238067753 279652435 /nfs/dbraw/zinc/65/24/35/279652435.db2.gz XUCVIXAHKHVNJE-MNOVXSKESA-N 1 0 292.339 1.250 20 5 CDBDRO O=C(N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000361077844 279932424 /nfs/dbraw/zinc/93/24/24/279932424.db2.gz DBJWAWRYRHKRDP-GHMZBOCLSA-N 1 0 278.312 1.041 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000194724550 280051390 /nfs/dbraw/zinc/05/13/90/280051390.db2.gz DJMSAPBSHXAKEW-LLVKDONJSA-N 1 0 293.323 1.427 20 5 CDBDRO CCOc1ccc(C(=O)NC[C@@H](C)C[NH2+]C)cc1[N+](=O)[O-] ZINC000237081033 280156314 /nfs/dbraw/zinc/15/63/14/280156314.db2.gz YIJGCMPSBOPCOO-JTQLQIEISA-N 1 0 295.339 1.579 20 5 CDBDRO Cc1n[nH]c(C(=O)NC(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000457054032 280189512 /nfs/dbraw/zinc/18/95/12/280189512.db2.gz PXRTZXREBRIUDZ-UHFFFAOYSA-N 1 0 295.343 1.231 20 5 CDBDRO O=[N+]([O-])c1cccc(-c2ncn(CC[C@@H]3CC[NH2+]C3)n2)c1 ZINC000396657416 280699641 /nfs/dbraw/zinc/69/96/41/280699641.db2.gz QYOPBSRTNRWYQD-NSHDSACASA-N 1 0 287.323 1.853 20 5 CDBDRO C[N@@H+]1CCC[C@]2(CCN(c3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000520999651 281064579 /nfs/dbraw/zinc/06/45/79/281064579.db2.gz OUDRTHXSDVCNKI-AWEZNQCLSA-N 1 0 276.340 1.912 20 5 CDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCn1cnnc1C1CC1 ZINC000156236976 289260629 /nfs/dbraw/zinc/26/06/29/289260629.db2.gz XQPHKCMIJMKYFW-UHFFFAOYSA-N 1 0 287.323 1.854 20 5 CDBDRO C[C@](C[NH3+])(NC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000255014407 289350247 /nfs/dbraw/zinc/35/02/47/289350247.db2.gz ZEHLFTXLXYLWCY-GTBONMDNSA-N 1 0 289.335 1.852 20 5 CDBDRO Cc1cccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1[N+](=O)[O-] ZINC000186718320 301956681 /nfs/dbraw/zinc/95/66/81/301956681.db2.gz CEPRXYCIFOWHSG-JOYOIKCWSA-N 1 0 277.324 1.631 20 5 CDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000567048749 316726851 /nfs/dbraw/zinc/72/68/51/316726851.db2.gz PNSDBVKEWZGACJ-BDAKNGLRSA-N 1 0 296.327 1.851 20 5 CDBDRO O=C(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])NCC1CC1 ZINC000575934172 317043460 /nfs/dbraw/zinc/04/34/60/317043460.db2.gz FNVWMENYYQAJTB-CYBMUJFWSA-N 1 0 289.335 1.698 20 5 CDBDRO CO[C@@H](C)[C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000577484737 317337572 /nfs/dbraw/zinc/33/75/72/317337572.db2.gz VITXOMJWAKSYOQ-MDZLAQPJSA-N 1 0 298.339 1.348 20 5 CDBDRO Cc1c(C(=O)N[C@@H](C)[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000381339661 323625291 /nfs/dbraw/zinc/62/52/91/323625291.db2.gz DVQSDLNGIZOKNX-BDAKNGLRSA-N 1 0 251.286 1.369 20 5 CDBDRO Cc1nc(N[C@H]2C[NH2+]CC[C@H]2C)ncc1[N+](=O)[O-] ZINC000584282287 327216085 /nfs/dbraw/zinc/21/60/85/327216085.db2.gz WEIDRKJTAPZCGL-APPZFPTMSA-N 1 0 251.290 1.103 20 5 CDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2cccc(O)c2)C1 ZINC001168967537 1161996243 /nfs/dbraw/zinc/99/62/43/1161996243.db2.gz QJNNIXUEJBDTIP-CHWSQXEVSA-N 1 0 264.325 1.970 20 5 CDBDRO CC(C)[NH+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000067386876 519681943 /nfs/dbraw/zinc/68/19/43/519681943.db2.gz AHGLMGCJWKBXTD-UHFFFAOYSA-N 1 0 293.367 2.000 20 5 CDBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1N)C1CC1 ZINC000184372422 521071969 /nfs/dbraw/zinc/07/19/69/521071969.db2.gz XXLIJEFUKXOGKR-UHFFFAOYSA-N 1 0 292.339 1.391 20 5 CDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000050699694 521638035 /nfs/dbraw/zinc/63/80/35/521638035.db2.gz BBNKADZFAACLGJ-LLVKDONJSA-N 1 0 292.339 1.391 20 5 CDBDRO C[NH2+]CCC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000070189389 521981773 /nfs/dbraw/zinc/98/17/73/521981773.db2.gz HXLJVYBUBVHZHP-UHFFFAOYSA-N 1 0 280.328 1.385 20 5 CDBDRO NC(=[NH2+])c1nccn1-c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001157622255 1162243009 /nfs/dbraw/zinc/24/30/09/1162243009.db2.gz AREPDEPTTDYYIY-UHFFFAOYSA-N 1 0 266.648 1.113 20 5 CDBDRO C[NH+](C)CC(C)(C)CNc1ccc([N+](=O)[O-])nc1 ZINC000054614559 524046982 /nfs/dbraw/zinc/04/69/82/524046982.db2.gz TXQXNWJDVIMOTR-UHFFFAOYSA-N 1 0 252.318 1.990 20 5 CDBDRO Cc1ccc(C[NH2+]C[C@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000068803197 524581152 /nfs/dbraw/zinc/58/11/52/524581152.db2.gz BSUTYJSGTIZSIZ-AWEZNQCLSA-N 1 0 292.383 1.239 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000063193316 524841549 /nfs/dbraw/zinc/84/15/49/524841549.db2.gz QHRDELCXLZTONR-AAEUAGOBSA-N 1 0 291.351 1.866 20 5 CDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000070172511 524844279 /nfs/dbraw/zinc/84/42/79/524844279.db2.gz PKRYMIXDJRMEEF-WDEREUQCSA-N 1 0 277.324 1.794 20 5 CDBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)NC2)cc1[N+](=O)[O-] ZINC000111018283 525744270 /nfs/dbraw/zinc/74/42/70/525744270.db2.gz HDNWORNYPLTISM-ZYHUDNBSSA-N 1 0 277.324 1.832 20 5 CDBDRO O=C(NCC[NH+]1CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000337420911 526302306 /nfs/dbraw/zinc/30/23/06/526302306.db2.gz UOMCICWFHZLFQJ-UHFFFAOYSA-N 1 0 264.285 1.422 20 5 CDBDRO CC(C)[C@@H]([NH3+])CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000157031896 528515121 /nfs/dbraw/zinc/51/51/21/528515121.db2.gz VTLLWFGQHJAKSF-ZDUSSCGKSA-N 1 0 279.340 1.627 20 5 CDBDRO CC(C)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000304294746 528921775 /nfs/dbraw/zinc/92/17/75/528921775.db2.gz FDOISTBSXJHNHZ-ZDUSSCGKSA-N 1 0 282.344 1.415 20 5 CDBDRO CC(C)(NC(=O)N[C@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000418390165 535228163 /nfs/dbraw/zinc/22/81/63/535228163.db2.gz UJPRSEKUJFVIJQ-JTQLQIEISA-N 1 0 292.339 1.491 20 5 CDBDRO CCO[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000182036543 535501321 /nfs/dbraw/zinc/50/13/21/535501321.db2.gz GTGWNUPCACJNFS-QWHCGFSZSA-N 1 0 294.355 1.729 20 5 CDBDRO CC[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000268827832 535808183 /nfs/dbraw/zinc/80/81/83/535808183.db2.gz LSIAVEBYXHRECL-DGCLKSJQSA-N 1 0 277.324 1.866 20 5 CDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCC[NH2+]C1 ZINC000261570895 535970993 /nfs/dbraw/zinc/97/09/93/535970993.db2.gz KRUADMDNCLJSIK-VIFPVBQESA-N 1 0 253.306 1.284 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000269210637 536950147 /nfs/dbraw/zinc/95/01/47/536950147.db2.gz NQFALVLSZNJDTD-SKDRFNHKSA-N 1 0 293.323 1.413 20 5 CDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCCOC2)c1 ZINC000749689242 576958013 /nfs/dbraw/zinc/95/80/13/576958013.db2.gz NMAXLSOFDABEAZ-SMDDNHRTSA-N 1 0 280.324 1.644 20 5 CDBDRO C[C@@H]1COC[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000932490161 617315036 /nfs/dbraw/zinc/31/50/36/617315036.db2.gz VGAYANATGLDBDE-JIMOISOXSA-N 1 0 266.297 1.253 20 5 CDBDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000932495554 617316865 /nfs/dbraw/zinc/31/68/65/617316865.db2.gz CIHWXJVOYYUBQK-KCJUWKMLSA-N 1 0 277.280 1.861 20 5 CDBDRO CC(C)[NH2+]C1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000892287018 617695751 /nfs/dbraw/zinc/69/57/51/617695751.db2.gz UWSIRQPIYCJREK-UHFFFAOYSA-N 1 0 267.333 1.295 20 5 CDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1COCC[C@H]1OC ZINC000934034659 617881234 /nfs/dbraw/zinc/88/12/34/617881234.db2.gz PHIRBZNUQXEGFF-CHWSQXEVSA-N 1 0 296.323 1.497 20 5 CDBDRO Cn1ncc([N+](=O)[O-])c1NCC[N@H+](C)Cc1ccccc1 ZINC000891964080 617896683 /nfs/dbraw/zinc/89/66/83/617896683.db2.gz QEVZCMPKDYRKAO-UHFFFAOYSA-N 1 0 289.339 1.872 20 5 CDBDRO CC1(C)OC[C@H](C[NH2+]CCc2ccccc2[N+](=O)[O-])O1 ZINC000893070108 618120663 /nfs/dbraw/zinc/12/06/63/618120663.db2.gz WOVOOBXBSPKUSF-LBPRGKRZSA-N 1 0 280.324 1.878 20 5 CDBDRO C[N@@H+]1C[C@H]2CCN(c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000893934235 618192544 /nfs/dbraw/zinc/19/25/44/618192544.db2.gz GGYZTUAISVYMBH-NOZJJQNGSA-N 1 0 265.288 1.874 20 5 CDBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000892432391 618196305 /nfs/dbraw/zinc/19/63/05/618196305.db2.gz OHAHVBYNWZJSCM-JTQLQIEISA-N 1 0 282.296 1.578 20 5 CDBDRO CN(CC[NH3+])C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000818010657 618493587 /nfs/dbraw/zinc/49/35/87/618493587.db2.gz QVAZAKNAZMOKCE-UHFFFAOYSA-N 1 0 292.339 1.226 20 5 CDBDRO CCC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C)CC[NH2+]1 ZINC000895056555 619241007 /nfs/dbraw/zinc/24/10/07/619241007.db2.gz ADELEOXFPVCFSR-LLVKDONJSA-N 1 0 264.329 1.877 20 5 CDBDRO C[C@H]1COC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000925194833 620545961 /nfs/dbraw/zinc/54/59/61/620545961.db2.gz PXNFOSYUVITEKL-ONGXEEELSA-N 1 0 279.296 1.158 20 5 CDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@]12CC[NH2+]C2 ZINC000900488073 623137241 /nfs/dbraw/zinc/13/72/41/623137241.db2.gz XIQOSJLRUUZPHG-AWEZNQCLSA-N 1 0 290.323 1.955 20 5 CDBDRO COc1cc(C[NH2+]CC[N+](=O)[O-])ccc1OC(F)F ZINC000905029664 626391483 /nfs/dbraw/zinc/39/14/83/626391483.db2.gz ZTSQNKOLEMMLNR-UHFFFAOYSA-N 1 0 276.239 1.663 20 5 CDBDRO COc1ccc(C[NH2+]CC[N+](=O)[O-])cc1Br ZINC000905089621 626605187 /nfs/dbraw/zinc/60/51/87/626605187.db2.gz PEIISISVVCEXAH-UHFFFAOYSA-N 1 0 289.129 1.824 20 5 CDBDRO C[N@H+](Cc1cn(CC(C)(C)[N+](=O)[O-])nn1)C(C)(C)C ZINC000905058002 626607687 /nfs/dbraw/zinc/60/76/87/626607687.db2.gz BSNHXXCETLLJRY-UHFFFAOYSA-N 1 0 269.349 1.564 20 5 CDBDRO C[C@@H]([NH2+]C(C)(C)CNCC[N+](=O)[O-])c1ccccc1 ZINC000905098528 626619410 /nfs/dbraw/zinc/61/94/10/626619410.db2.gz UHUXGISNUBAZLS-GFCCVEGCSA-N 1 0 265.357 1.982 20 5 CDBDRO CC(C)(C)OC(=O)NC(C)(C)CC[NH2+]CC[N+](=O)[O-] ZINC000905416361 626805134 /nfs/dbraw/zinc/80/51/34/626805134.db2.gz CHCPESCHESGDMK-UHFFFAOYSA-N 1 0 275.349 1.546 20 5 CDBDRO CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H](C)C1 ZINC000910287420 628963543 /nfs/dbraw/zinc/96/35/43/628963543.db2.gz GUPBPFYZSXHMEI-SNVBAGLBSA-N 1 0 280.328 1.479 20 5 CDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911756373 629464747 /nfs/dbraw/zinc/46/47/47/629464747.db2.gz ZWGBHZHASOBLSD-SECBINFHSA-N 1 0 295.364 1.799 20 5 CDBDRO C[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000911749026 629467351 /nfs/dbraw/zinc/46/73/51/629467351.db2.gz USGPNCQIUWYHRX-UHFFFAOYSA-N 1 0 269.326 1.266 20 5 CDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000912256334 629872061 /nfs/dbraw/zinc/87/20/61/629872061.db2.gz VKOHEDMVBRHUAA-QJPTWQEYSA-N 1 0 275.308 1.352 20 5 CDBDRO O=[N+]([O-])c1cnn(CN2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000151956275 630811717 /nfs/dbraw/zinc/81/17/17/630811717.db2.gz XYYBNKLXFBFKSB-CYBMUJFWSA-N 1 0 293.371 1.699 20 5 CDBDRO Cc1cc(F)cc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000154128904 632053082 /nfs/dbraw/zinc/05/30/82/632053082.db2.gz UNYOCLGPXVONRC-UWVGGRQHSA-N 1 0 295.314 1.865 20 5 CDBDRO CCOC(=O)c1cnc(NCC2C[NH+](C)C2)c([N+](=O)[O-])c1 ZINC001170249484 1162323982 /nfs/dbraw/zinc/32/39/82/1162323982.db2.gz HGOBAQYTCLGMTI-UHFFFAOYSA-N 1 0 294.311 1.140 20 5 CDBDRO COc1ccc(C[C@@H](C)NC2(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001170327479 1162337682 /nfs/dbraw/zinc/33/76/82/1162337682.db2.gz SBYVBUVRBNDSCV-SNVBAGLBSA-N 1 0 279.340 1.615 20 5 CDBDRO COc1cc(C)nc(N2CCC[C@H]([NH3+])[C@H]2C)c1[N+](=O)[O-] ZINC001157742927 1162380638 /nfs/dbraw/zinc/38/06/38/1162380638.db2.gz SLHILMVZBQLIRA-ZJUUUORDSA-N 1 0 280.328 1.623 20 5 CDBDRO CC(C)N(c1cccc([N+](=O)[O-])n1)[C@@H]1CC[NH2+]C1 ZINC001158023172 1162683352 /nfs/dbraw/zinc/68/33/52/1162683352.db2.gz UTMNGJOQLSQMJL-SNVBAGLBSA-N 1 0 250.302 1.567 20 5 CDBDRO Nc1cc(-n2ccc3c2CC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001157444151 1162087111 /nfs/dbraw/zinc/08/71/11/1162087111.db2.gz GQWJMHLCOAYRNT-UHFFFAOYSA-N 1 0 259.269 1.008 20 5 CDBDRO C[C@H](CNC(=O)OC(C)(C)C)N(C)CC[N+](=O)[O-] ZINC000791055788 1162187559 /nfs/dbraw/zinc/18/75/59/1162187559.db2.gz XVXXIOOQHHCTLD-SECBINFHSA-N 1 0 261.322 1.108 20 5 CDBDRO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000794711368 1164575689 /nfs/dbraw/zinc/57/56/89/1164575689.db2.gz MFINTGNBQDLMCK-ZWNOBZJWSA-N 1 0 268.313 1.331 20 5 CDBDRO C[C@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)[NH+](C)C ZINC000865437172 1164647390 /nfs/dbraw/zinc/64/73/90/1164647390.db2.gz BSFBXHXZIUEYGA-MRVPVSSYSA-N 1 0 271.292 1.588 20 5 CDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C/C=C/CO ZINC000866389828 1164778139 /nfs/dbraw/zinc/77/81/39/1164778139.db2.gz WOVLUWQOJYMEPF-PBKGFPTLSA-N 1 0 268.288 1.803 20 5 CDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000876522718 1165861882 /nfs/dbraw/zinc/86/18/82/1165861882.db2.gz AAHOOPIIFDEILW-NSHDSACASA-N 1 0 277.324 1.519 20 5 CDBDRO COC(=O)C1CC([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000877721452 1166084913 /nfs/dbraw/zinc/08/49/13/1166084913.db2.gz OPILPKKWYVJHPV-UHFFFAOYSA-N 1 0 264.281 1.636 20 5 CDBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC001155585571 1167242949 /nfs/dbraw/zinc/24/29/49/1167242949.db2.gz ASCIQDHOHQFEQF-UTLUCORTSA-N 1 0 293.327 1.112 20 5 CDBDRO C[C@H](OC(=O)[C@@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001574107792 1170881389 /nfs/dbraw/zinc/88/13/89/1170881389.db2.gz MZHSPMSEUCRLAB-VHSXEESVSA-N 1 0 264.281 1.809 20 5 CDBDRO O=[N+]([O-])c1ccccc1-c1nnn(CC2CC[NH2+]CC2)n1 ZINC001574440763 1170983333 /nfs/dbraw/zinc/98/33/33/1170983333.db2.gz IBHWCDCOXHVZML-UHFFFAOYSA-N 1 0 288.311 1.248 20 5 CDBDRO C[C@@]([NH3+])(C(=O)NCc1ccoc1)c1cccc([N+](=O)[O-])c1 ZINC001576084438 1171330367 /nfs/dbraw/zinc/33/03/67/1171330367.db2.gz BXVRLIJWAHJEGQ-AWEZNQCLSA-N 1 0 289.291 1.678 20 5 CDBDRO CCOc1cc(CN2CC[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001578166406 1171826379 /nfs/dbraw/zinc/82/63/79/1171826379.db2.gz YCJDHASGGCFTBA-NSHDSACASA-N 1 0 279.340 1.787 20 5 CDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnc(N)cn1 ZINC001578481198 1171930087 /nfs/dbraw/zinc/93/00/87/1171930087.db2.gz SMNBRUYFCKYOGH-UHFFFAOYSA-N 1 0 287.323 1.642 20 5 CDBDRO C[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001579482523 1172194191 /nfs/dbraw/zinc/19/41/91/1172194191.db2.gz HPMUABDRUMOOOZ-JQWIXIFHSA-N 1 0 277.324 1.914 20 5 CDBDRO C[C@H]([NH3+])CCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001579480275 1172194938 /nfs/dbraw/zinc/19/49/38/1172194938.db2.gz ZPIBWZNSVIFJES-JTQLQIEISA-N 1 0 295.343 1.043 20 5 CDBDRO [NH3+]C[C@H]1CCCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001580330155 1172406304 /nfs/dbraw/zinc/40/63/04/1172406304.db2.gz NBTZSELATXIVNX-SECBINFHSA-N 1 0 288.307 1.639 20 5 CDBDRO O=[N+]([O-])c1cnccc1Nc1ccc2c(c1)C[NH2+]CC2 ZINC001580876754 1172559014 /nfs/dbraw/zinc/55/90/14/1172559014.db2.gz RYGMEEJQSZYEFZ-UHFFFAOYSA-N 1 0 270.292 1.801 20 5 CDBDRO [NH3+]CCCOC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000094073137 1174461206 /nfs/dbraw/zinc/46/12/06/1174461206.db2.gz PAJSKLDLDVDWDN-UHFFFAOYSA-N 1 0 279.340 1.929 20 5 CDBDRO Cc1cnc(NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000133778758 1175807499 /nfs/dbraw/zinc/80/74/99/1175807499.db2.gz WGDZUUQGKDTWAU-JTQLQIEISA-N 1 0 250.302 1.852 20 5 CDBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH3+])C2)c1 ZINC000155918912 1178168477 /nfs/dbraw/zinc/16/84/77/1178168477.db2.gz LHYJOCQCTOARQP-SECBINFHSA-N 1 0 251.286 1.531 20 5 CDBDRO CC(C)[C@H](CN(C)C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158631849 1178227093 /nfs/dbraw/zinc/22/70/93/1178227093.db2.gz JNVPGQAUNIEHOX-LSDHHAIUSA-N 1 0 295.383 1.804 20 5 CDBDRO Cc1c(Br)c(N(C)CC[NH3+])ncc1[N+](=O)[O-] ZINC000167056040 1181121714 /nfs/dbraw/zinc/12/17/14/1181121714.db2.gz JWNQJFFICIHGHQ-UHFFFAOYSA-N 1 0 289.133 1.456 20 5 CDBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000401270064 1186409165 /nfs/dbraw/zinc/40/91/65/1186409165.db2.gz UITSEDFXDVWOCQ-GARJFASQSA-N 1 0 277.324 1.806 20 5 CDBDRO